smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2scc(C)c2n1 ZINC001164706246 719864810 /nfs/dbraw/zinc/86/48/10/719864810.db2.gz PHROCSLMPBZXMP-IFXJQAMLSA-N 1 2 390.509 2.232 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)ncn1 ZINC001164705019 719866870 /nfs/dbraw/zinc/86/68/70/719866870.db2.gz MZNRWCKJBXPUEC-PGRDOPGGSA-N 1 2 396.491 2.376 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(CSC)cn1 ZINC001164706209 719873519 /nfs/dbraw/zinc/87/35/19/719873519.db2.gz PCPCMPUGHWRVND-LPHOPBHVSA-N 1 2 379.526 2.177 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(CSC)ccn1 ZINC001164703837 719875583 /nfs/dbraw/zinc/87/55/83/719875583.db2.gz KVSNWZFCNUXUPC-QFBILLFUSA-N 1 2 379.526 2.177 20 0 GEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncccc4F)CC3)C2=O)cs1 ZINC001164825509 720358571 /nfs/dbraw/zinc/35/85/71/720358571.db2.gz QAAJVMNDLAVJPN-UHFFFAOYSA-N 1 2 389.500 2.299 20 0 GEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncccc4F)CC3)C2=O)cs1 ZINC001164825509 720358573 /nfs/dbraw/zinc/35/85/73/720358573.db2.gz QAAJVMNDLAVJPN-UHFFFAOYSA-N 1 2 389.500 2.299 20 0 GEADLO CCOC(=O)c1cc(F)cnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165007498 721698287 /nfs/dbraw/zinc/69/82/87/721698287.db2.gz CUPKHSFLWURTJL-UHFFFAOYSA-N 1 2 390.463 2.239 20 0 GEADLO CCOC(=O)c1cc(F)cnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165007498 721698289 /nfs/dbraw/zinc/69/82/89/721698289.db2.gz CUPKHSFLWURTJL-UHFFFAOYSA-N 1 2 390.463 2.239 20 0 GEADLO COC(=O)c1c[nH]c2nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)ccc12 ZINC001165011684 721700381 /nfs/dbraw/zinc/70/03/81/721700381.db2.gz VXWOUDJZWMSDMW-UHFFFAOYSA-N 1 2 397.483 2.192 20 0 GEADLO COC(=O)c1c[nH]c2nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)ccc12 ZINC001165011684 721700384 /nfs/dbraw/zinc/70/03/84/721700384.db2.gz VXWOUDJZWMSDMW-UHFFFAOYSA-N 1 2 397.483 2.192 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN([C@@H](F)Oc1ccc(Cl)nn1)C2 ZINC001165010563 721722086 /nfs/dbraw/zinc/72/20/86/721722086.db2.gz IWIIICADWZSKSI-MRXNPFEDSA-N 1 2 383.859 2.100 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN([C@@H](F)Oc1ccc(Cl)nn1)C2 ZINC001165010563 721722088 /nfs/dbraw/zinc/72/20/88/721722088.db2.gz IWIIICADWZSKSI-MRXNPFEDSA-N 1 2 383.859 2.100 20 0 GEADLO c1cc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2o1 ZINC001164914611 721787032 /nfs/dbraw/zinc/78/70/32/721787032.db2.gz FJJDDJIMLLAPCC-NRFANRHFSA-N 1 2 380.448 2.331 20 0 GEADLO c1cc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2o1 ZINC001164914611 721787040 /nfs/dbraw/zinc/78/70/40/721787040.db2.gz FJJDDJIMLLAPCC-NRFANRHFSA-N 1 2 380.448 2.331 20 0 GEADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4cc(C5CCC5)ncn4)CCO3)C2)c1 ZINC001164913939 721798450 /nfs/dbraw/zinc/79/84/50/721798450.db2.gz IWWQFXVEOQAYKY-QFIPXVFZSA-N 1 2 395.507 2.247 20 0 GEADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4cc(C5CCC5)ncn4)CCO3)C2)c1 ZINC001164913939 721798451 /nfs/dbraw/zinc/79/84/51/721798451.db2.gz IWWQFXVEOQAYKY-QFIPXVFZSA-N 1 2 395.507 2.247 20 0 GEADLO COC(=O)c1c[nH]c2nc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)ccc12 ZINC001164916592 721814039 /nfs/dbraw/zinc/81/40/39/721814039.db2.gz FFSPLKHEFAQBCB-UHFFFAOYSA-N 1 2 394.479 2.296 20 0 GEADLO COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(CC1)c1ncc(C)n1CCN2C ZINC001164917461 721815334 /nfs/dbraw/zinc/81/53/34/721815334.db2.gz OQBBJSWWUWGHPH-UHFFFAOYSA-N 1 2 383.496 2.431 20 0 GEADLO CN1C(=O)CC[C@@H]2[C@H]1CCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164934678 721891543 /nfs/dbraw/zinc/89/15/43/721891543.db2.gz RZFPDTOOLJFSDG-WOJBJXKFSA-N 1 2 377.492 2.234 20 0 GEADLO CN1C(=O)CC[C@@H]2[C@H]1CCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164934678 721891544 /nfs/dbraw/zinc/89/15/44/721891544.db2.gz RZFPDTOOLJFSDG-WOJBJXKFSA-N 1 2 377.492 2.234 20 0 GEADLO Cc1c[nH+]c(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)nc1NC(C)C ZINC001164930008 721902111 /nfs/dbraw/zinc/90/21/11/721902111.db2.gz JVGODLDAOGMYIQ-UHFFFAOYSA-N 1 2 399.543 2.210 20 0 GEADLO COC(=O)c1cc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)cnc1Cl ZINC001165039822 721906069 /nfs/dbraw/zinc/90/60/69/721906069.db2.gz VSLZUCXAVKLURV-CYBMUJFWSA-N 1 2 389.830 2.368 20 0 GEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(C3CC3)ncn1)CC2 ZINC001164948354 721979596 /nfs/dbraw/zinc/97/95/96/721979596.db2.gz LEKBVHVROIMBTH-UHFFFAOYSA-N 1 2 377.492 2.325 20 0 GEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(C3CC3)ncn1)CC2 ZINC001164948354 721979598 /nfs/dbraw/zinc/97/95/98/721979598.db2.gz LEKBVHVROIMBTH-UHFFFAOYSA-N 1 2 377.492 2.325 20 0 GEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc(C(F)F)cn1)CC2 ZINC001164949834 721980915 /nfs/dbraw/zinc/98/09/15/721980915.db2.gz QNDRSYAETNREPW-UHFFFAOYSA-N 1 2 387.434 2.385 20 0 GEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc(C(F)F)cn1)CC2 ZINC001164949834 721980917 /nfs/dbraw/zinc/98/09/17/721980917.db2.gz QNDRSYAETNREPW-UHFFFAOYSA-N 1 2 387.434 2.385 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(F)cc(Br)c1 ZINC000521812231 531253069 /nfs/dbraw/zinc/25/30/69/531253069.db2.gz LHZJJZVZJKEAJU-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)nc1C ZINC000151761470 531519224 /nfs/dbraw/zinc/51/92/24/531519224.db2.gz FSXXGJXTPGNWIW-NXEZZACHSA-N 1 2 379.404 2.442 20 0 GEADLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)NCCOc1ccccc1 ZINC000151524511 531508565 /nfs/dbraw/zinc/50/85/65/531508565.db2.gz MWLVGCIYIOCOHH-UHFFFAOYSA-N 1 2 380.286 2.415 20 0 GEADLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)NCCOc1ccccc1 ZINC000151524511 531508570 /nfs/dbraw/zinc/50/85/70/531508570.db2.gz MWLVGCIYIOCOHH-UHFFFAOYSA-N 1 2 380.286 2.415 20 0 GEADLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccccc1 ZINC000152087560 531530853 /nfs/dbraw/zinc/53/08/53/531530853.db2.gz QUUZIXKHQCLINV-MLGOLLRUSA-N 1 2 382.507 2.328 20 0 GEADLO O=C([C@H]1CCCC[N@H+]1C[C@@H](O)c1ccccc1Br)N1CCOCC1 ZINC000152291473 531540115 /nfs/dbraw/zinc/54/01/15/531540115.db2.gz WXSYKPBEKKXGEC-IAGOWNOFSA-N 1 2 397.313 2.196 20 0 GEADLO O=C([C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1Br)N1CCOCC1 ZINC000152291473 531540122 /nfs/dbraw/zinc/54/01/22/531540122.db2.gz WXSYKPBEKKXGEC-IAGOWNOFSA-N 1 2 397.313 2.196 20 0 GEADLO CNS(=O)(=O)CCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000152484992 531554299 /nfs/dbraw/zinc/55/42/99/531554299.db2.gz LPPOVQKKWLXOBF-DOMZBBRYSA-N 1 2 391.331 2.150 20 0 GEADLO CNS(=O)(=O)CCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000152484992 531554302 /nfs/dbraw/zinc/55/43/02/531554302.db2.gz LPPOVQKKWLXOBF-DOMZBBRYSA-N 1 2 391.331 2.150 20 0 GEADLO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+](C)Cc1ccc(Br)o1 ZINC000030973651 531643897 /nfs/dbraw/zinc/64/38/97/531643897.db2.gz RDAIULCTODGASP-GFCCVEGCSA-N 1 2 375.263 2.178 20 0 GEADLO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000030973651 531643902 /nfs/dbraw/zinc/64/39/02/531643902.db2.gz RDAIULCTODGASP-GFCCVEGCSA-N 1 2 375.263 2.178 20 0 GEADLO Cc1nc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCN(C)CC2)cs1 ZINC000043229121 531680058 /nfs/dbraw/zinc/68/00/58/531680058.db2.gz GKFZBPKXAFSKEM-OAHLLOKOSA-N 1 2 379.555 2.301 20 0 GEADLO NC(=O)N[C@@H](CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1cccs1 ZINC000042801723 531671443 /nfs/dbraw/zinc/67/14/43/531671443.db2.gz OVXNQEGRQJEQEC-LBPRGKRZSA-N 1 2 377.857 2.465 20 0 GEADLO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCN(c2cccc[nH+]2)CC1 ZINC000155835458 531699847 /nfs/dbraw/zinc/69/98/47/531699847.db2.gz AODNSVFPHZCVAZ-UHFFFAOYSA-N 1 2 377.857 2.122 20 0 GEADLO CCN(C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000046253924 531701448 /nfs/dbraw/zinc/70/14/48/531701448.db2.gz QJLVTZQPPQRCIK-JKSUJKDBSA-N 1 2 387.571 2.350 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(Br)s1 ZINC000046480272 531704293 /nfs/dbraw/zinc/70/42/93/531704293.db2.gz BNOHTNYEOBJAJA-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+](CCC(F)(F)F)CC2CC2)n1 ZINC000156007856 531709599 /nfs/dbraw/zinc/70/95/99/531709599.db2.gz XNCHZCBQXNSTKQ-UHFFFAOYSA-N 1 2 379.404 2.462 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)n1 ZINC000156007856 531709605 /nfs/dbraw/zinc/70/96/05/531709605.db2.gz XNCHZCBQXNSTKQ-UHFFFAOYSA-N 1 2 379.404 2.462 20 0 GEADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000157003571 531729809 /nfs/dbraw/zinc/72/98/09/531729809.db2.gz ZHNYOOARLTVDHH-GXTWGEPZSA-N 1 2 375.296 2.124 20 0 GEADLO C[C@H](O)C[C@@H]1COCC[N@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000157003571 531729817 /nfs/dbraw/zinc/72/98/17/531729817.db2.gz ZHNYOOARLTVDHH-GXTWGEPZSA-N 1 2 375.296 2.124 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000047595162 531717603 /nfs/dbraw/zinc/71/76/03/531717603.db2.gz JYBXYZWDLQMQGS-CJNGLKHVSA-N 1 2 387.933 2.209 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000157606751 531749367 /nfs/dbraw/zinc/74/93/67/531749367.db2.gz CEQRAZQSIWNUKH-GFCCVEGCSA-N 1 2 395.301 2.266 20 0 GEADLO O[C@@H](CSc1nnc(NCc2ccc(F)cc2)s1)C[NH+]1CCOCC1 ZINC000052815375 531750757 /nfs/dbraw/zinc/75/07/57/531750757.db2.gz KEKFMMWDCYPKGV-CQSZACIVSA-N 1 2 384.502 2.075 20 0 GEADLO O=S(=O)(NCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000056327903 531811818 /nfs/dbraw/zinc/81/18/18/531811818.db2.gz ZPYRTDUDUDKLFZ-UHFFFAOYSA-N 1 2 379.913 2.441 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(I)cc1 ZINC000058521927 531833752 /nfs/dbraw/zinc/83/37/52/531833752.db2.gz IVZUQCXMFXXNMI-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO CCN(CC)C(=O)C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000058956380 531838403 /nfs/dbraw/zinc/83/84/03/531838403.db2.gz VWHDUGJVTJFZDM-UHFFFAOYSA-N 1 2 397.317 2.363 20 0 GEADLO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000162292089 531840341 /nfs/dbraw/zinc/84/03/41/531840341.db2.gz XHDWDSNCRWTLPT-VXGBXAGGSA-N 1 2 380.495 2.400 20 0 GEADLO O=C(NCc1nc(C2CC2)cs1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000163975078 531867572 /nfs/dbraw/zinc/86/75/72/531867572.db2.gz NDZYMBVOECXJQL-QGZVFWFLSA-N 1 2 382.555 2.028 20 0 GEADLO O=C(COc1ccc(I)cc1)NCCNc1cccc[nH+]1 ZINC000063707532 531858809 /nfs/dbraw/zinc/85/88/09/531858809.db2.gz VIYIHOCEWAWBJZ-UHFFFAOYSA-N 1 2 397.216 2.293 20 0 GEADLO O=C(Nc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000163753048 531863581 /nfs/dbraw/zinc/86/35/81/531863581.db2.gz SGMNNMTVEIDWGA-ZDUSSCGKSA-N 1 2 386.279 2.255 20 0 GEADLO Cc1cc(Cl)c(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1Cl ZINC000163952085 531865002 /nfs/dbraw/zinc/86/50/02/531865002.db2.gz PFJGPCWJPJKJOQ-RYUDHWBXSA-N 1 2 388.295 2.466 20 0 GEADLO C[N@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1csc(Br)c1 ZINC000064994417 531873509 /nfs/dbraw/zinc/87/35/09/531873509.db2.gz ZWKFGWBFVKKCMI-UHFFFAOYSA-N 1 2 389.315 2.308 20 0 GEADLO C[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1csc(Br)c1 ZINC000064994417 531873514 /nfs/dbraw/zinc/87/35/14/531873514.db2.gz ZWKFGWBFVKKCMI-UHFFFAOYSA-N 1 2 389.315 2.308 20 0 GEADLO CCc1nc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cs1 ZINC000067187740 531878862 /nfs/dbraw/zinc/87/88/62/531878862.db2.gz VMAXYJVVFHZDQF-UHFFFAOYSA-N 1 2 387.552 2.078 20 0 GEADLO C[NH+](C)[C@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1ccco1 ZINC000171241644 531898368 /nfs/dbraw/zinc/89/83/68/531898368.db2.gz RMGWOJZNSQPNIL-GFCCVEGCSA-N 1 2 386.857 2.285 20 0 GEADLO Cn1ncc2c1nc[nH+]c2NCCCNC(=O)c1cccc(Br)c1 ZINC000170640327 531885039 /nfs/dbraw/zinc/88/50/39/531885039.db2.gz IBZNTPVINQAGEN-UHFFFAOYSA-N 1 2 389.257 2.358 20 0 GEADLO CC[N@H+](CC(=O)Nc1ccccc1I)Cc1cnn(C)c1 ZINC000171656024 531910691 /nfs/dbraw/zinc/91/06/91/531910691.db2.gz NCJYEIBTTXDVQQ-UHFFFAOYSA-N 1 2 398.248 2.485 20 0 GEADLO CC[N@@H+](CC(=O)Nc1ccccc1I)Cc1cnn(C)c1 ZINC000171656024 531910698 /nfs/dbraw/zinc/91/06/98/531910698.db2.gz NCJYEIBTTXDVQQ-UHFFFAOYSA-N 1 2 398.248 2.485 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1ccsc1 ZINC000069924329 531912534 /nfs/dbraw/zinc/91/25/34/531912534.db2.gz NEAALMKWJKQIQI-UKRRQHHQSA-N 1 2 375.560 2.206 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000069868330 531913745 /nfs/dbraw/zinc/91/37/45/531913745.db2.gz YTNARUPGNDPISW-CQSZACIVSA-N 1 2 388.917 2.082 20 0 GEADLO CC[NH+]1CCN([C@H](C)CNC(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000171880273 531921876 /nfs/dbraw/zinc/92/18/76/531921876.db2.gz OOICZAMUPUCNIJ-GFCCVEGCSA-N 1 2 394.317 2.081 20 0 GEADLO CCCCN(C)S(=O)(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000071887296 531915196 /nfs/dbraw/zinc/91/51/96/531915196.db2.gz VODCFZHESWWUKA-UHFFFAOYSA-N 1 2 389.949 2.313 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000071972595 531915893 /nfs/dbraw/zinc/91/58/93/531915893.db2.gz CJXOIIBBZHWIBY-GFCCVEGCSA-N 1 2 380.341 2.155 20 0 GEADLO CCN1CC[NH+](CCCCNC(=O)c2ccc(Br)cc2O)CC1 ZINC000094134636 531931839 /nfs/dbraw/zinc/93/18/39/531931839.db2.gz URCRRZWQAJQTQD-UHFFFAOYSA-N 1 2 384.318 2.302 20 0 GEADLO CC[NH+]1CCN(CCCCNC(=O)c2ccc(Br)cc2O)CC1 ZINC000094134636 531931853 /nfs/dbraw/zinc/93/18/53/531931853.db2.gz URCRRZWQAJQTQD-UHFFFAOYSA-N 1 2 384.318 2.302 20 0 GEADLO Cc1nnc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)o1 ZINC000097503904 531935282 /nfs/dbraw/zinc/93/52/82/531935282.db2.gz WEDMHSYHRNYZNW-NSHDSACASA-N 1 2 380.246 2.386 20 0 GEADLO Cc1nnc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)o1 ZINC000097503904 531935293 /nfs/dbraw/zinc/93/52/93/531935293.db2.gz WEDMHSYHRNYZNW-NSHDSACASA-N 1 2 380.246 2.386 20 0 GEADLO CCS[C@@H]1CCCC[N@H+](CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000112089823 531944251 /nfs/dbraw/zinc/94/42/51/531944251.db2.gz XPHJKALAXBVMTL-IAGOWNOFSA-N 1 2 390.615 2.266 20 0 GEADLO CCS[C@@H]1CCCC[N@@H+](CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000112089823 531944257 /nfs/dbraw/zinc/94/42/57/531944257.db2.gz XPHJKALAXBVMTL-IAGOWNOFSA-N 1 2 390.615 2.266 20 0 GEADLO OCCO[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000172300983 531946354 /nfs/dbraw/zinc/94/63/54/531946354.db2.gz BXCZMPNSBFWYNT-AWEZNQCLSA-N 1 2 382.258 2.472 20 0 GEADLO OCCO[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000172300983 531946357 /nfs/dbraw/zinc/94/63/57/531946357.db2.gz BXCZMPNSBFWYNT-AWEZNQCLSA-N 1 2 382.258 2.472 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCc1ccc(Br)cc1 ZINC000172335068 531947146 /nfs/dbraw/zinc/94/71/46/531947146.db2.gz SENPYHDAJLDKNW-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCc1ccc(Br)cc1 ZINC000172335068 531947151 /nfs/dbraw/zinc/94/71/51/531947151.db2.gz SENPYHDAJLDKNW-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000172857762 531970503 /nfs/dbraw/zinc/97/05/03/531970503.db2.gz VNFVECAWEYDREO-ARFHVFGLSA-N 1 2 384.567 2.384 20 0 GEADLO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000172857762 531970509 /nfs/dbraw/zinc/97/05/09/531970509.db2.gz VNFVECAWEYDREO-ARFHVFGLSA-N 1 2 384.567 2.384 20 0 GEADLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CCO1 ZINC000172887000 531971663 /nfs/dbraw/zinc/97/16/63/531971663.db2.gz YUCQGSRBXBCJHN-BBRMVZONSA-N 1 2 385.302 2.143 20 0 GEADLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CCO1 ZINC000172887000 531971669 /nfs/dbraw/zinc/97/16/69/531971669.db2.gz YUCQGSRBXBCJHN-BBRMVZONSA-N 1 2 385.302 2.143 20 0 GEADLO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000120591729 531984829 /nfs/dbraw/zinc/98/48/29/531984829.db2.gz YDDGZEURAWFNTL-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000120591729 531984837 /nfs/dbraw/zinc/98/48/37/531984837.db2.gz YDDGZEURAWFNTL-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000120630409 531986549 /nfs/dbraw/zinc/98/65/49/531986549.db2.gz CAIMRXSRZAAPMN-CQSZACIVSA-N 1 2 380.853 2.432 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(F)c1Cl ZINC000173129994 531989323 /nfs/dbraw/zinc/98/93/23/531989323.db2.gz OGNZZKUIMSYXTA-JTQLQIEISA-N 1 2 395.859 2.197 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)c(F)c1Cl ZINC000173129994 531989328 /nfs/dbraw/zinc/98/93/28/531989328.db2.gz OGNZZKUIMSYXTA-JTQLQIEISA-N 1 2 395.859 2.197 20 0 GEADLO C[C@@H](O)[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000120795150 531995592 /nfs/dbraw/zinc/99/55/92/531995592.db2.gz NDXGGTUTXVXHAV-CHWSQXEVSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H](O)[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000120795150 531995602 /nfs/dbraw/zinc/99/56/02/531995602.db2.gz NDXGGTUTXVXHAV-CHWSQXEVSA-N 1 2 376.316 2.316 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120799622 531996313 /nfs/dbraw/zinc/99/63/13/531996313.db2.gz NRGULUGEMQADLR-WFASDCNBSA-N 1 2 385.917 2.132 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120799622 531996320 /nfs/dbraw/zinc/99/63/20/531996320.db2.gz NRGULUGEMQADLR-WFASDCNBSA-N 1 2 385.917 2.132 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000120799984 531996806 /nfs/dbraw/zinc/99/68/06/531996806.db2.gz IVNDRINXUDIZNV-CQSZACIVSA-N 1 2 382.873 2.046 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000120799984 531996812 /nfs/dbraw/zinc/99/68/12/531996812.db2.gz IVNDRINXUDIZNV-CQSZACIVSA-N 1 2 382.873 2.046 20 0 GEADLO CC(C)(C)S(=O)(=O)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000173414910 532009984 /nfs/dbraw/zinc/00/99/84/532009984.db2.gz QOCMFPVBQKRTIF-AWEZNQCLSA-N 1 2 387.571 2.398 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000173412313 532009403 /nfs/dbraw/zinc/00/94/03/532009403.db2.gz FUDIQDHRCZTBMN-VIFPVBQESA-N 1 2 377.304 2.278 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000121085912 532010808 /nfs/dbraw/zinc/01/08/08/532010808.db2.gz AWSGQPHQDYFRPS-WDEREUQCSA-N 1 2 385.287 2.075 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000121085912 532010815 /nfs/dbraw/zinc/01/08/15/532010815.db2.gz AWSGQPHQDYFRPS-WDEREUQCSA-N 1 2 385.287 2.075 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000121089933 532011878 /nfs/dbraw/zinc/01/18/78/532011878.db2.gz IGUWXGRYYPMXGA-JTQLQIEISA-N 1 2 387.303 2.147 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2sccc2Br)C[C@H](C)O1 ZINC000121180888 532016943 /nfs/dbraw/zinc/01/69/43/532016943.db2.gz XFKQXLOWHZDEBU-PHIMTYICSA-N 1 2 397.360 2.288 20 0 GEADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2sccc2Br)C[C@H](C)O1 ZINC000121180888 532016945 /nfs/dbraw/zinc/01/69/45/532016945.db2.gz XFKQXLOWHZDEBU-PHIMTYICSA-N 1 2 397.360 2.288 20 0 GEADLO CC(C)OC(=O)CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000173599622 532022780 /nfs/dbraw/zinc/02/27/80/532022780.db2.gz SXPCJPCYXLDBMB-UHFFFAOYSA-N 1 2 394.946 2.440 20 0 GEADLO CC(C)OC(=O)CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000173599622 532022786 /nfs/dbraw/zinc/02/27/86/532022786.db2.gz SXPCJPCYXLDBMB-UHFFFAOYSA-N 1 2 394.946 2.440 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000173647993 532023954 /nfs/dbraw/zinc/02/39/54/532023954.db2.gz XUIIAAFULUOLKY-UHFFFAOYSA-N 1 2 399.285 2.361 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(F)c(Br)cc1F ZINC000121382570 532027025 /nfs/dbraw/zinc/02/70/25/532027025.db2.gz IDBUNRLRCIVVHM-SNVBAGLBSA-N 1 2 391.260 2.485 20 0 GEADLO Cc1[nH]cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(=O)c1Br ZINC000121403625 532027347 /nfs/dbraw/zinc/02/73/47/532027347.db2.gz GYLVFCXAMFGVBF-ZDUSSCGKSA-N 1 2 398.301 2.185 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173689307 532028256 /nfs/dbraw/zinc/02/82/56/532028256.db2.gz FAEDUVGPLHKKCL-INIZCTEOSA-N 1 2 396.329 2.493 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000121456324 532029881 /nfs/dbraw/zinc/02/98/81/532029881.db2.gz QQZTXCUPUPSIOQ-UHFFFAOYSA-N 1 2 392.232 2.480 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000173897807 532040254 /nfs/dbraw/zinc/04/02/54/532040254.db2.gz MMLFJDQKWYCTAE-AWEZNQCLSA-N 1 2 388.917 2.224 20 0 GEADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)Cc1csc(Br)c1 ZINC000174130514 532052039 /nfs/dbraw/zinc/05/20/39/532052039.db2.gz BFEWTCTZMHOBFQ-SNVBAGLBSA-N 1 2 388.331 2.055 20 0 GEADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+](C)Cc1csc(Br)c1 ZINC000174130514 532052043 /nfs/dbraw/zinc/05/20/43/532052043.db2.gz BFEWTCTZMHOBFQ-SNVBAGLBSA-N 1 2 388.331 2.055 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)Cc1csc(Br)c1 ZINC000174130499 532052408 /nfs/dbraw/zinc/05/24/08/532052408.db2.gz BFEWTCTZMHOBFQ-JTQLQIEISA-N 1 2 388.331 2.055 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+](C)Cc1csc(Br)c1 ZINC000174130499 532052411 /nfs/dbraw/zinc/05/24/11/532052411.db2.gz BFEWTCTZMHOBFQ-JTQLQIEISA-N 1 2 388.331 2.055 20 0 GEADLO C[C@@H](CNC(=O)c1cc(Br)cc(Cl)c1O)N1CC[NH+](C)CC1 ZINC000174340277 532061221 /nfs/dbraw/zinc/06/12/21/532061221.db2.gz WZOSDLQDWLSSQD-JTQLQIEISA-N 1 2 390.709 2.174 20 0 GEADLO O=C(c1cc(Br)cnc1Cl)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174483694 532066870 /nfs/dbraw/zinc/06/68/70/532066870.db2.gz MVJYLDZEPQVJOM-GFCCVEGCSA-N 1 2 388.693 2.434 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1C(F)(F)F ZINC000122375327 532067180 /nfs/dbraw/zinc/06/71/80/532067180.db2.gz BOROLNVCORYLEG-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1C(F)(F)F ZINC000122375327 532067185 /nfs/dbraw/zinc/06/71/85/532067185.db2.gz BOROLNVCORYLEG-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO COc1ccc(Br)cc1CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174488499 532066225 /nfs/dbraw/zinc/06/62/25/532066225.db2.gz CBOGGVXSEOAOFB-INIZCTEOSA-N 1 2 397.313 2.323 20 0 GEADLO C[C@H]1C[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1C ZINC000122693970 532080273 /nfs/dbraw/zinc/08/02/73/532080273.db2.gz YDDWPOWUQCYHQC-HRCADAONSA-N 1 2 384.567 2.242 20 0 GEADLO C[C@H]1C[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1C ZINC000122693970 532080276 /nfs/dbraw/zinc/08/02/76/532080276.db2.gz YDDWPOWUQCYHQC-HRCADAONSA-N 1 2 384.567 2.242 20 0 GEADLO Cc1cc(I)ccc1NC(=O)NCC[NH+]1CCOCC1 ZINC000122742591 532081330 /nfs/dbraw/zinc/08/13/30/532081330.db2.gz KNEQQHPGCYIWEH-UHFFFAOYSA-N 1 2 389.237 2.053 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000122755003 532082586 /nfs/dbraw/zinc/08/25/86/532082586.db2.gz HMXXANWTMXTCEW-NEPJUHHUSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[N@H+]1C[C@@H](C)O ZINC000122755003 532082591 /nfs/dbraw/zinc/08/25/91/532082591.db2.gz HMXXANWTMXTCEW-NEPJUHHUSA-N 1 2 381.325 2.459 20 0 GEADLO NC(=O)NC1CC[NH+](CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000174915932 532083863 /nfs/dbraw/zinc/08/38/63/532083863.db2.gz CMVDWNOKUUOWAH-UHFFFAOYSA-N 1 2 389.681 2.174 20 0 GEADLO Cc1cnc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000122880083 532085834 /nfs/dbraw/zinc/08/58/34/532085834.db2.gz OFARWFHOZKASBS-CQSZACIVSA-N 1 2 381.523 2.323 20 0 GEADLO CN(Cc1ccc(Cl)nc1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000122953479 532087752 /nfs/dbraw/zinc/08/77/52/532087752.db2.gz ISBDEBJSIADOEY-KRWDZBQOSA-N 1 2 384.933 2.084 20 0 GEADLO O=C(COc1ccccc1Br)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000122984127 532089375 /nfs/dbraw/zinc/08/93/75/532089375.db2.gz UTIIJIXEPYSKIT-AWEZNQCLSA-N 1 2 383.286 2.151 20 0 GEADLO CC[C@@](C)(O)C[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000123024353 532091066 /nfs/dbraw/zinc/09/10/66/532091066.db2.gz VFQHDIPKDHHZHK-OAHLLOKOSA-N 1 2 380.432 2.173 20 0 GEADLO CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cc(Br)ccc1F ZINC000123221413 532095817 /nfs/dbraw/zinc/09/58/17/532095817.db2.gz USEVPVVGEWBDEB-LLVKDONJSA-N 1 2 388.281 2.003 20 0 GEADLO CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cc(Br)ccc1F ZINC000123221413 532095821 /nfs/dbraw/zinc/09/58/21/532095821.db2.gz USEVPVVGEWBDEB-LLVKDONJSA-N 1 2 388.281 2.003 20 0 GEADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000175397786 532102005 /nfs/dbraw/zinc/10/20/05/532102005.db2.gz MYCKOUCVRPTAOZ-MYYSRTQBSA-N 1 2 380.535 2.395 20 0 GEADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000175397786 532102007 /nfs/dbraw/zinc/10/20/07/532102007.db2.gz MYCKOUCVRPTAOZ-MYYSRTQBSA-N 1 2 380.535 2.395 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+](CCC2OCCO2)CC1 ZINC000123622623 532103578 /nfs/dbraw/zinc/10/35/78/532103578.db2.gz WSGXFUITUFGAJO-UHFFFAOYSA-N 1 2 395.308 2.063 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+](C2CCOCC2)CC1 ZINC000175463837 532103970 /nfs/dbraw/zinc/10/39/70/532103970.db2.gz CLJYVIVTKKEFGK-UHFFFAOYSA-N 1 2 379.309 2.479 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000123650035 532104992 /nfs/dbraw/zinc/10/49/92/532104992.db2.gz PUQXXOYEIOFXDO-ZDUSSCGKSA-N 1 2 379.309 2.276 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000123650035 532104994 /nfs/dbraw/zinc/10/49/94/532104994.db2.gz PUQXXOYEIOFXDO-ZDUSSCGKSA-N 1 2 379.309 2.276 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123755417 532106670 /nfs/dbraw/zinc/10/66/70/532106670.db2.gz PGCSXKPNCOUPEF-AXAPSJFSSA-N 1 2 390.908 2.269 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123755417 532106676 /nfs/dbraw/zinc/10/66/76/532106676.db2.gz PGCSXKPNCOUPEF-AXAPSJFSSA-N 1 2 390.908 2.269 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)CCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123867820 532109699 /nfs/dbraw/zinc/10/96/99/532109699.db2.gz BSULPICDXVQZFH-WBMJQRKESA-N 1 2 376.881 2.023 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)CCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123867820 532109700 /nfs/dbraw/zinc/10/97/00/532109700.db2.gz BSULPICDXVQZFH-WBMJQRKESA-N 1 2 376.881 2.023 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000175925453 532119740 /nfs/dbraw/zinc/11/97/40/532119740.db2.gz NTVSZFPFBGZTQN-UHFFFAOYSA-N 1 2 393.285 2.348 20 0 GEADLO CSC1(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)CCOCC1 ZINC000175996671 532122303 /nfs/dbraw/zinc/12/23/03/532122303.db2.gz NGMQCLYTTSDTTL-UHFFFAOYSA-N 1 2 384.571 2.273 20 0 GEADLO CSC1(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CCOCC1 ZINC000175996671 532122307 /nfs/dbraw/zinc/12/23/07/532122307.db2.gz NGMQCLYTTSDTTL-UHFFFAOYSA-N 1 2 384.571 2.273 20 0 GEADLO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000124554084 532124024 /nfs/dbraw/zinc/12/40/24/532124024.db2.gz XNXPQNYBBWECQA-OLZOCXBDSA-N 1 2 386.309 2.271 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000123948814 532112239 /nfs/dbraw/zinc/11/22/39/532112239.db2.gz FMDVKYNBEBYHQW-UHFFFAOYSA-N 1 2 396.329 2.004 20 0 GEADLO CCCN(CCC)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000124098847 532115025 /nfs/dbraw/zinc/11/50/25/532115025.db2.gz CZEXAXASFDFEAS-UHFFFAOYSA-N 1 2 387.571 2.139 20 0 GEADLO [NH2+]=C1Nc2nc3ccccc3n2[C@@]2(N1)C(=O)Nc1cccc(Br)c12 ZINC000124699632 532127574 /nfs/dbraw/zinc/12/75/74/532127574.db2.gz SCMMBBMUOOOZBR-MRXNPFEDSA-N 1 2 383.209 2.001 20 0 GEADLO C[C@H]([C@H](C)NC(=O)N(C)Cc1cc(Br)cn1C)[NH+]1CCOCC1 ZINC000125270345 532134165 /nfs/dbraw/zinc/13/41/65/532134165.db2.gz HMWTTXXAMCHKJZ-QWHCGFSZSA-N 1 2 387.322 2.038 20 0 GEADLO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000125248796 532134345 /nfs/dbraw/zinc/13/43/45/532134345.db2.gz RYZZQXJYLCBLKJ-CYBMUJFWSA-N 1 2 388.331 2.070 20 0 GEADLO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000125248796 532134348 /nfs/dbraw/zinc/13/43/48/532134348.db2.gz RYZZQXJYLCBLKJ-CYBMUJFWSA-N 1 2 388.331 2.070 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000125477630 532136142 /nfs/dbraw/zinc/13/61/42/532136142.db2.gz XIHZIEXXMVIXNS-RISCZKNCSA-N 1 2 376.284 2.047 20 0 GEADLO CC[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Br)CC1 ZINC000176811850 532150048 /nfs/dbraw/zinc/15/00/48/532150048.db2.gz PXPDWUMCPJOYIJ-UHFFFAOYSA-N 1 2 397.722 2.437 20 0 GEADLO COc1cc(Br)c(S(=O)(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000176811600 532150472 /nfs/dbraw/zinc/15/04/72/532150472.db2.gz RBPWQSWNRSBMSZ-UHFFFAOYSA-N 1 2 383.695 2.047 20 0 GEADLO Cc1cc(Br)cc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000127430466 532154062 /nfs/dbraw/zinc/15/40/62/532154062.db2.gz VPFICBWEZFUOCE-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000126092339 532145477 /nfs/dbraw/zinc/14/54/77/532145477.db2.gz GHCRFMHCAAOOSH-HNNXBMFYSA-N 1 2 383.495 2.119 20 0 GEADLO COCCn1c(C)c(C)nc1S(=O)(=O)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000176706272 532146022 /nfs/dbraw/zinc/14/60/22/532146022.db2.gz XNCMIVVZAURTGD-UHFFFAOYSA-N 1 2 382.873 2.421 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000176784547 532149774 /nfs/dbraw/zinc/14/97/74/532149774.db2.gz PGIDSXCSMRAGQW-CQSZACIVSA-N 1 2 386.945 2.349 20 0 GEADLO CS(=O)(=O)N1CCC[N@H+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000177245152 532166479 /nfs/dbraw/zinc/16/64/79/532166479.db2.gz QZRWKOUFVBAHLO-UHFFFAOYSA-N 1 2 398.326 2.465 20 0 GEADLO CS(=O)(=O)N1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000177245152 532166482 /nfs/dbraw/zinc/16/64/82/532166482.db2.gz QZRWKOUFVBAHLO-UHFFFAOYSA-N 1 2 398.326 2.465 20 0 GEADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)Cc1cnccn1 ZINC000177249570 532166712 /nfs/dbraw/zinc/16/67/12/532166712.db2.gz RRSNKYNFOTVTGP-UHFFFAOYSA-N 1 2 393.285 2.208 20 0 GEADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+](C)Cc1cnccn1 ZINC000177249570 532166716 /nfs/dbraw/zinc/16/67/16/532166716.db2.gz RRSNKYNFOTVTGP-UHFFFAOYSA-N 1 2 393.285 2.208 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCc1ccc(O)c(Br)c1)[NH+]1CCOCC1 ZINC000127636229 532156058 /nfs/dbraw/zinc/15/60/58/532156058.db2.gz IAXNYVCEWDFUTG-NWDGAFQWSA-N 1 2 386.290 2.063 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000176944266 532156543 /nfs/dbraw/zinc/15/65/43/532156543.db2.gz XAKWWZVNRHBSLW-UHFFFAOYSA-N 1 2 387.322 2.040 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000176944266 532156546 /nfs/dbraw/zinc/15/65/46/532156546.db2.gz XAKWWZVNRHBSLW-UHFFFAOYSA-N 1 2 387.322 2.040 20 0 GEADLO C[C@H](Cn1cncn1)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000127691850 532156974 /nfs/dbraw/zinc/15/69/74/532156974.db2.gz HEGVJMNCODGLIR-CZUORRHYSA-N 1 2 392.301 2.382 20 0 GEADLO C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177013381 532158866 /nfs/dbraw/zinc/15/88/66/532158866.db2.gz YIJMJGWSDVBQCR-MJBXVCDLSA-N 1 2 384.464 2.075 20 0 GEADLO C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177013381 532158867 /nfs/dbraw/zinc/15/88/67/532158867.db2.gz YIJMJGWSDVBQCR-MJBXVCDLSA-N 1 2 384.464 2.075 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)nc2)n1 ZINC000177634140 532177837 /nfs/dbraw/zinc/17/78/37/532177837.db2.gz TWBIQRJXOXUPHW-UHFFFAOYSA-N 1 2 382.873 2.368 20 0 GEADLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cc1Br ZINC000129423839 532178297 /nfs/dbraw/zinc/17/82/97/532178297.db2.gz LNIUMHNYMHPDOZ-UHFFFAOYSA-N 1 2 389.315 2.317 20 0 GEADLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000129124072 532172841 /nfs/dbraw/zinc/17/28/41/532172841.db2.gz DCQOPGORPFBTRF-ZDUSSCGKSA-N 1 2 384.318 2.187 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)Cc2ccc(Cl)nc2)n1 ZINC000177634140 532177833 /nfs/dbraw/zinc/17/78/33/532177833.db2.gz TWBIQRJXOXUPHW-UHFFFAOYSA-N 1 2 382.873 2.368 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000129902922 532186131 /nfs/dbraw/zinc/18/61/31/532186131.db2.gz MYCJBOIFWNBQNZ-UHFFFAOYSA-N 1 2 383.221 2.272 20 0 GEADLO O=S(=O)(c1c(F)cccc1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131976140 532207734 /nfs/dbraw/zinc/20/77/34/532207734.db2.gz IOZDWOUGTXNWNI-ZDUSSCGKSA-N 1 2 376.881 2.212 20 0 GEADLO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178654360 532208740 /nfs/dbraw/zinc/20/87/40/532208740.db2.gz ODXWCXTXCYDMDV-GDBMZVCRSA-N 1 2 380.330 2.134 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000178771023 532212184 /nfs/dbraw/zinc/21/21/84/532212184.db2.gz NPSLKRWKQLDYOG-UHFFFAOYSA-N 1 2 386.290 2.065 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000178771023 532212186 /nfs/dbraw/zinc/21/21/86/532212186.db2.gz NPSLKRWKQLDYOG-UHFFFAOYSA-N 1 2 386.290 2.065 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000178431388 532201986 /nfs/dbraw/zinc/20/19/86/532201986.db2.gz SBQCUYBCPQRYMJ-RUZDIDTESA-N 1 2 380.491 2.343 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000178431388 532201987 /nfs/dbraw/zinc/20/19/87/532201987.db2.gz SBQCUYBCPQRYMJ-RUZDIDTESA-N 1 2 380.491 2.343 20 0 GEADLO C[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1CO ZINC000132818876 532222032 /nfs/dbraw/zinc/22/20/32/532222032.db2.gz FGEWYKRJWVZCLY-SWLSCSKDSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1CO ZINC000132818876 532222037 /nfs/dbraw/zinc/22/20/37/532222037.db2.gz FGEWYKRJWVZCLY-SWLSCSKDSA-N 1 2 376.316 2.316 20 0 GEADLO COC(=O)C[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000179128193 532223700 /nfs/dbraw/zinc/22/37/00/532223700.db2.gz HRCSESNKEIUUAP-ZDUSSCGKSA-N 1 2 390.299 2.250 20 0 GEADLO COC(=O)C[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000179128193 532223705 /nfs/dbraw/zinc/22/37/05/532223705.db2.gz HRCSESNKEIUUAP-ZDUSSCGKSA-N 1 2 390.299 2.250 20 0 GEADLO Cc1cc(Cl)c(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1Cl ZINC000179127964 532223798 /nfs/dbraw/zinc/22/37/98/532223798.db2.gz QPWLJLLXMDLHPJ-UHFFFAOYSA-N 1 2 388.295 2.467 20 0 GEADLO Cc1cc(Cl)c(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)cc1Cl ZINC000179127964 532223802 /nfs/dbraw/zinc/22/38/02/532223802.db2.gz QPWLJLLXMDLHPJ-UHFFFAOYSA-N 1 2 388.295 2.467 20 0 GEADLO CC(C)NC(=O)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000133620463 532239996 /nfs/dbraw/zinc/23/99/96/532239996.db2.gz WFAWDZCFEQXGMD-INIZCTEOSA-N 1 2 382.302 2.227 20 0 GEADLO O=C(C[C@@H](O)c1ccc(Cl)cc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000179730584 532242054 /nfs/dbraw/zinc/24/20/54/532242054.db2.gz MULYVFUSJPBASG-AEFFLSMTSA-N 1 2 384.929 2.088 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000134320049 532253920 /nfs/dbraw/zinc/25/39/20/532253920.db2.gz ZGARHFHCYXVZTC-AWEZNQCLSA-N 1 2 384.889 2.292 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000134320049 532253923 /nfs/dbraw/zinc/25/39/23/532253923.db2.gz ZGARHFHCYXVZTC-AWEZNQCLSA-N 1 2 384.889 2.292 20 0 GEADLO CCCCS(=O)(=O)NCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000134114340 532249897 /nfs/dbraw/zinc/24/98/97/532249897.db2.gz MMESUNSKQTYRQD-CYBMUJFWSA-N 1 2 388.559 2.033 20 0 GEADLO CCCCS(=O)(=O)NCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000134114340 532249903 /nfs/dbraw/zinc/24/99/03/532249903.db2.gz MMESUNSKQTYRQD-CYBMUJFWSA-N 1 2 388.559 2.033 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134318939 532254117 /nfs/dbraw/zinc/25/41/17/532254117.db2.gz OPVZMQDOVVUADN-HIFRSBDPSA-N 1 2 387.933 2.378 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134318939 532254122 /nfs/dbraw/zinc/25/41/22/532254122.db2.gz OPVZMQDOVVUADN-HIFRSBDPSA-N 1 2 387.933 2.378 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)c1c[nH]cn1 ZINC000133479345 532236627 /nfs/dbraw/zinc/23/66/27/532236627.db2.gz PMDDULNFACQLHE-UHFFFAOYSA-N 1 2 399.314 2.115 20 0 GEADLO O=C(C[N@@H+](Cc1ccccc1Br)C1CCCC1)N1CCNC(=O)C1 ZINC000135301519 532270018 /nfs/dbraw/zinc/27/00/18/532270018.db2.gz WHFAPXLXZITELH-UHFFFAOYSA-N 1 2 394.313 2.152 20 0 GEADLO O=C(C[N@H+](Cc1ccccc1Br)C1CCCC1)N1CCNC(=O)C1 ZINC000135301519 532270022 /nfs/dbraw/zinc/27/00/22/532270022.db2.gz WHFAPXLXZITELH-UHFFFAOYSA-N 1 2 394.313 2.152 20 0 GEADLO O=C(C[NH+]1CCN(Cc2c(F)cccc2Br)CC1)N1CCCC1 ZINC000180410576 532270454 /nfs/dbraw/zinc/27/04/54/532270454.db2.gz GCOKEEAETKDGDO-UHFFFAOYSA-N 1 2 384.293 2.328 20 0 GEADLO CC(C)(CNC(=O)COc1cc(Br)ccc1F)[NH+]1CCOCC1 ZINC000180180568 532259404 /nfs/dbraw/zinc/25/94/04/532259404.db2.gz RIGONVMEHFHWAP-UHFFFAOYSA-N 1 2 389.265 2.194 20 0 GEADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCn2cnnc2C1 ZINC000135392295 532272378 /nfs/dbraw/zinc/27/23/78/532272378.db2.gz KVEVOMTYOGSHQN-INIZCTEOSA-N 1 2 390.285 2.220 20 0 GEADLO CSC[C@@H]1CCC[N@@H+]1CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000135478877 532275049 /nfs/dbraw/zinc/27/50/49/532275049.db2.gz BQNIPXKLHZPJDB-DLBZAZTESA-N 1 2 388.599 2.162 20 0 GEADLO CSC[C@@H]1CCC[N@H+]1CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000135478877 532275050 /nfs/dbraw/zinc/27/50/50/532275050.db2.gz BQNIPXKLHZPJDB-DLBZAZTESA-N 1 2 388.599 2.162 20 0 GEADLO O=C(C[N@H+]1CCCN(CC(F)F)CC1)NCCOc1ccc(Cl)cc1 ZINC000180584636 532275708 /nfs/dbraw/zinc/27/57/08/532275708.db2.gz IZVYHJOJOCQDMH-UHFFFAOYSA-N 1 2 375.847 2.108 20 0 GEADLO O=C(C[N@@H+]1CCCN(CC(F)F)CC1)NCCOc1ccc(Cl)cc1 ZINC000180584636 532275714 /nfs/dbraw/zinc/27/57/14/532275714.db2.gz IZVYHJOJOCQDMH-UHFFFAOYSA-N 1 2 375.847 2.108 20 0 GEADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180881368 532284299 /nfs/dbraw/zinc/28/42/99/532284299.db2.gz BLSQGMVTIIPIQM-JTQLQIEISA-N 1 2 379.507 2.216 20 0 GEADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180881368 532284302 /nfs/dbraw/zinc/28/43/02/532284302.db2.gz BLSQGMVTIIPIQM-JTQLQIEISA-N 1 2 379.507 2.216 20 0 GEADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180881391 532284457 /nfs/dbraw/zinc/28/44/57/532284457.db2.gz BLSQGMVTIIPIQM-SNVBAGLBSA-N 1 2 379.507 2.216 20 0 GEADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180881391 532284459 /nfs/dbraw/zinc/28/44/59/532284459.db2.gz BLSQGMVTIIPIQM-SNVBAGLBSA-N 1 2 379.507 2.216 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000137018110 532288571 /nfs/dbraw/zinc/28/85/71/532288571.db2.gz SKPFPJIMNPKNEW-SWLSCSKDSA-N 1 2 379.309 2.183 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000137018110 532288575 /nfs/dbraw/zinc/28/85/75/532288575.db2.gz SKPFPJIMNPKNEW-SWLSCSKDSA-N 1 2 379.309 2.183 20 0 GEADLO COc1nc(N2CC[NH+](Cc3ncccc3C)CC2)ncc1Br ZINC000180535752 532274422 /nfs/dbraw/zinc/27/44/22/532274422.db2.gz ZFWRGQQPKOYHII-UHFFFAOYSA-N 1 2 378.274 2.273 20 0 GEADLO COc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)nc1Br ZINC000181152880 532292404 /nfs/dbraw/zinc/29/24/04/532292404.db2.gz MDOWOMJBAFVFBQ-CYBMUJFWSA-N 1 2 398.301 2.180 20 0 GEADLO Cn1c(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)nnc1C(F)F ZINC000181262874 532294494 /nfs/dbraw/zinc/29/44/94/532294494.db2.gz JGCNWVHOQZYWOL-UHFFFAOYSA-N 1 2 387.481 2.251 20 0 GEADLO CC(C)CCS(=O)(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000181403525 532297957 /nfs/dbraw/zinc/29/79/57/532297957.db2.gz GQCUMXKMIHSTOD-UHFFFAOYSA-N 1 2 384.933 2.481 20 0 GEADLO C[C@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Cl)C[NH+]1CCOCC1 ZINC000181649900 532303694 /nfs/dbraw/zinc/30/36/94/532303694.db2.gz DKVGTYAWIFFYFB-GFCCVEGCSA-N 1 2 381.325 2.381 20 0 GEADLO COCCc1noc(C[N@H+](C)CCC(=O)Nc2ccccc2Br)n1 ZINC000151111400 532307348 /nfs/dbraw/zinc/30/73/48/532307348.db2.gz SZTWGVOKKOJSBE-UHFFFAOYSA-N 1 2 397.273 2.482 20 0 GEADLO COCCc1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2Br)n1 ZINC000151111400 532307350 /nfs/dbraw/zinc/30/73/50/532307350.db2.gz SZTWGVOKKOJSBE-UHFFFAOYSA-N 1 2 397.273 2.482 20 0 GEADLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000137552122 532290366 /nfs/dbraw/zinc/29/03/66/532290366.db2.gz FNVMDVFOHHAKRX-JTQLQIEISA-N 1 2 389.283 2.486 20 0 GEADLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000137552122 532290367 /nfs/dbraw/zinc/29/03/67/532290367.db2.gz FNVMDVFOHHAKRX-JTQLQIEISA-N 1 2 389.283 2.486 20 0 GEADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cc(F)ccc3Br)C2)CC1 ZINC000137694287 532290397 /nfs/dbraw/zinc/29/03/97/532290397.db2.gz UMGCVVMNBOAPSG-MRXNPFEDSA-N 1 2 398.320 2.369 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182486040 532313974 /nfs/dbraw/zinc/31/39/74/532313974.db2.gz MWXNBVGPSXBKIS-SNVBAGLBSA-N 1 2 391.260 2.485 20 0 GEADLO CCOC(=O)C[C@@H](C)[N@H+](C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000182626931 532315735 /nfs/dbraw/zinc/31/57/35/532315735.db2.gz ARMQHYNIWUNNCL-GFCCVEGCSA-N 1 2 392.315 2.496 20 0 GEADLO CCOC(=O)C[C@@H](C)[N@@H+](C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000182626931 532315737 /nfs/dbraw/zinc/31/57/37/532315737.db2.gz ARMQHYNIWUNNCL-GFCCVEGCSA-N 1 2 392.315 2.496 20 0 GEADLO O=C1NC2(CCC(=O)CC2)C(=O)N1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000182861666 532319076 /nfs/dbraw/zinc/31/90/76/532319076.db2.gz QXWJHGGJVRJOMU-UHFFFAOYSA-N 1 2 391.225 2.031 20 0 GEADLO CN(CCOCC[N@H+](C)Cc1ncc(Cl)n1C)Cc1ncc(Cl)n1C ZINC000183261504 532322555 /nfs/dbraw/zinc/32/25/55/532322555.db2.gz VVJNEKPPMRFIHT-UHFFFAOYSA-N 1 2 389.331 2.041 20 0 GEADLO CN(CCOCC[N@@H+](C)Cc1ncc(Cl)n1C)Cc1ncc(Cl)n1C ZINC000183261504 532322559 /nfs/dbraw/zinc/32/25/59/532322559.db2.gz VVJNEKPPMRFIHT-UHFFFAOYSA-N 1 2 389.331 2.041 20 0 GEADLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)c1nccs1 ZINC000185110379 532336890 /nfs/dbraw/zinc/33/68/90/532336890.db2.gz XSFDCEFEEBEYLZ-CYBMUJFWSA-N 1 2 382.511 2.039 20 0 GEADLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000185100266 532336936 /nfs/dbraw/zinc/33/69/36/532336936.db2.gz ITKNDUGPNHIDQF-ZJWNCGCPSA-N 1 2 382.917 2.222 20 0 GEADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000185100266 532336937 /nfs/dbraw/zinc/33/69/37/532336937.db2.gz ITKNDUGPNHIDQF-ZJWNCGCPSA-N 1 2 382.917 2.222 20 0 GEADLO COCCCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000185570346 532337999 /nfs/dbraw/zinc/33/79/99/532337999.db2.gz XTRGLPPXZIQGFQ-IAGOWNOFSA-N 1 2 390.933 2.058 20 0 GEADLO COCCCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000185570346 532338000 /nfs/dbraw/zinc/33/80/00/532338000.db2.gz XTRGLPPXZIQGFQ-IAGOWNOFSA-N 1 2 390.933 2.058 20 0 GEADLO CS(=O)(=O)c1ccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)cc1 ZINC000185677942 532338292 /nfs/dbraw/zinc/33/82/92/532338292.db2.gz ANPOIJYCDFJLHH-UHFFFAOYSA-N 1 2 394.396 2.243 20 0 GEADLO C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000185791508 532338795 /nfs/dbraw/zinc/33/87/95/532338795.db2.gz RUOQGGBDHQNWOT-GUYCJALGSA-N 1 2 384.929 2.211 20 0 GEADLO Cc1cc(Br)ccc1SCC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186827752 532342243 /nfs/dbraw/zinc/34/22/43/532342243.db2.gz IOCAHPYXNLFVBT-CYBMUJFWSA-N 1 2 387.343 2.375 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000186884232 532342373 /nfs/dbraw/zinc/34/23/73/532342373.db2.gz XCUMSYHOANJGCP-UHFFFAOYSA-N 1 2 385.852 2.451 20 0 GEADLO O=S(=O)(NCCC[NH+]1CCOCC1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000187167138 532343418 /nfs/dbraw/zinc/34/34/18/532343418.db2.gz PZBQGTCONFDWOB-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO C[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cccc(Cl)c1Cl ZINC000183764137 532328789 /nfs/dbraw/zinc/32/87/89/532328789.db2.gz XSAVYBQYGVMKGW-QMMMGPOBSA-N 1 2 382.251 2.118 20 0 GEADLO NC(=O)C1([NH2+]CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000183820690 532329418 /nfs/dbraw/zinc/32/94/18/532329418.db2.gz UCLPNPSGRPBVSA-UHFFFAOYSA-N 1 2 380.164 2.014 20 0 GEADLO CCCN(C(=O)[C@H](C)[NH2+]C(C)(C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000183955273 532330213 /nfs/dbraw/zinc/33/02/13/532330213.db2.gz FIOVZOIOWSQJSC-KBPBESRZSA-N 1 2 387.571 2.090 20 0 GEADLO CCN(C)C(=O)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000187258014 532343838 /nfs/dbraw/zinc/34/38/38/532343838.db2.gz CKMWAKGUSKTKET-INIZCTEOSA-N 1 2 382.302 2.181 20 0 GEADLO CN(C)c1[nH+]cccc1NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000184857004 532335282 /nfs/dbraw/zinc/33/52/82/532335282.db2.gz DNTWLFVXBWKMPD-UHFFFAOYSA-N 1 2 377.242 2.279 20 0 GEADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)s1 ZINC000185035873 532336542 /nfs/dbraw/zinc/33/65/42/532336542.db2.gz KXPKXGLVSQPOSZ-GFCCVEGCSA-N 1 2 382.511 2.005 20 0 GEADLO CSC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000187802558 532345650 /nfs/dbraw/zinc/34/56/50/532345650.db2.gz SXZXVFOUGOZPLU-NSHDSACASA-N 1 2 399.365 2.024 20 0 GEADLO CSc1ccc(S(=O)(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1Cl ZINC000188086490 532346569 /nfs/dbraw/zinc/34/65/69/532346569.db2.gz SHKYEOFDNQCQCQ-UHFFFAOYSA-N 1 2 378.947 2.451 20 0 GEADLO CSc1ccc(S(=O)(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1Cl ZINC000188086490 532346570 /nfs/dbraw/zinc/34/65/70/532346570.db2.gz SHKYEOFDNQCQCQ-UHFFFAOYSA-N 1 2 378.947 2.451 20 0 GEADLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000188149179 532346850 /nfs/dbraw/zinc/34/68/50/532346850.db2.gz KYMSQMRXFJOSOA-SNVBAGLBSA-N 1 2 385.288 2.210 20 0 GEADLO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188708039 532349287 /nfs/dbraw/zinc/34/92/87/532349287.db2.gz QOYDUNIIZMEHBS-KBPBESRZSA-N 1 2 397.313 2.183 20 0 GEADLO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188708039 532349288 /nfs/dbraw/zinc/34/92/88/532349288.db2.gz QOYDUNIIZMEHBS-KBPBESRZSA-N 1 2 397.313 2.183 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC[N@@H+]1CCO ZINC000188732401 532349314 /nfs/dbraw/zinc/34/93/14/532349314.db2.gz XVAGPSJQVPNSGX-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC[N@H+]1CCO ZINC000188732401 532349315 /nfs/dbraw/zinc/34/93/15/532349315.db2.gz XVAGPSJQVPNSGX-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO CC(C)(CNC(=O)c1cc(Br)ncc1Cl)[NH+]1CCOCC1 ZINC000188741308 532349323 /nfs/dbraw/zinc/34/93/23/532349323.db2.gz WVJQXVAOELRGPW-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCOc1cc(F)cc(Br)c1 ZINC000189003648 532350551 /nfs/dbraw/zinc/35/05/51/532350551.db2.gz NPTMSOYUPVZJPG-KBPBESRZSA-N 1 2 376.222 2.229 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000189003648 532350552 /nfs/dbraw/zinc/35/05/52/532350552.db2.gz NPTMSOYUPVZJPG-KBPBESRZSA-N 1 2 376.222 2.229 20 0 GEADLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCOc1cc(F)cc(Br)c1 ZINC000189003606 532350571 /nfs/dbraw/zinc/35/05/71/532350571.db2.gz NPTMSOYUPVZJPG-UONOGXRCSA-N 1 2 376.222 2.229 20 0 GEADLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000189003606 532350572 /nfs/dbraw/zinc/35/05/72/532350572.db2.gz NPTMSOYUPVZJPG-UONOGXRCSA-N 1 2 376.222 2.229 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(Br)c(F)cc1F ZINC000189152925 532351138 /nfs/dbraw/zinc/35/11/38/532351138.db2.gz PESQEVDYUGLCEY-JTQLQIEISA-N 1 2 391.260 2.485 20 0 GEADLO Cc1csc(C(=O)N[C@H](C)C[NH+]2CCOCC2)c1I ZINC000189714899 532353283 /nfs/dbraw/zinc/35/32/83/532353283.db2.gz JZUSGNZCOSBZMX-SNVBAGLBSA-N 1 2 394.278 2.112 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)C1(c2ccccc2Br)CC1 ZINC000190433901 532356061 /nfs/dbraw/zinc/35/60/61/532356061.db2.gz QVMBMAIPXUFNMO-CQSZACIVSA-N 1 2 379.298 2.460 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)C1(c2ccccc2Br)CC1 ZINC000190433901 532356062 /nfs/dbraw/zinc/35/60/62/532356062.db2.gz QVMBMAIPXUFNMO-CQSZACIVSA-N 1 2 379.298 2.460 20 0 GEADLO C[N@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)[C@@H]1CCNC1=O ZINC000190519743 532356540 /nfs/dbraw/zinc/35/65/40/532356540.db2.gz FOFNVCWUWMACNO-DZGCQCFKSA-N 1 2 383.286 2.327 20 0 GEADLO C[N@@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)[C@@H]1CCNC1=O ZINC000190519743 532356541 /nfs/dbraw/zinc/35/65/41/532356541.db2.gz FOFNVCWUWMACNO-DZGCQCFKSA-N 1 2 383.286 2.327 20 0 GEADLO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000190765812 532357783 /nfs/dbraw/zinc/35/77/83/532357783.db2.gz AUJKCBUKBQLRIH-AWEZNQCLSA-N 1 2 377.242 2.275 20 0 GEADLO Cc1cnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(Br)c1 ZINC000190991633 532359013 /nfs/dbraw/zinc/35/90/13/532359013.db2.gz SUFQQUHSFJTDHJ-UHFFFAOYSA-N 1 2 388.273 2.156 20 0 GEADLO Cc1cc(N2CC[NH+](Cc3ccc(Br)o3)CC2)n2ncnc2n1 ZINC000191072560 532359569 /nfs/dbraw/zinc/35/95/69/532359569.db2.gz QEUWQKARVRYSOY-UHFFFAOYSA-N 1 2 377.246 2.110 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000187545143 532344671 /nfs/dbraw/zinc/34/46/71/532344671.db2.gz YKLVDVVCKWHEAT-SECBINFHSA-N 1 2 394.686 2.110 20 0 GEADLO CC(C)(C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)S(C)(=O)=O ZINC000677322258 532372887 /nfs/dbraw/zinc/37/28/87/532372887.db2.gz SKBYMSXTANETBA-UHFFFAOYSA-N 1 2 377.297 2.487 20 0 GEADLO CC(C)[C@@H]([NH2+]Cc1ccnc(Br)c1)c1nc(-c2nc[nH]n2)no1 ZINC000294649857 532374119 /nfs/dbraw/zinc/37/41/19/532374119.db2.gz QMGLQVQEDGVNFX-LLVKDONJSA-N 1 2 378.234 2.499 20 0 GEADLO CC(C)(C)n1nnnc1C[S@@](=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000463461870 532374857 /nfs/dbraw/zinc/37/48/57/532374857.db2.gz LTHFHACFKGEGAL-QHCPKHFHSA-N 1 2 397.302 2.287 20 0 GEADLO CC(C)(C(=O)NC[C@H](CO)Cc1ccccc1Br)c1c[nH]c[nH+]1 ZINC000621973545 532375136 /nfs/dbraw/zinc/37/51/36/532375136.db2.gz PHTCLSOTQJZNGY-GFCCVEGCSA-N 1 2 380.286 2.417 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000294495423 532362483 /nfs/dbraw/zinc/36/24/83/532362483.db2.gz SLBYZOFCBUGHGH-LLVKDONJSA-N 1 2 394.273 2.391 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000294495423 532362486 /nfs/dbraw/zinc/36/24/86/532362486.db2.gz SLBYZOFCBUGHGH-LLVKDONJSA-N 1 2 394.273 2.391 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000515389653 532363477 /nfs/dbraw/zinc/36/34/77/532363477.db2.gz YVZHHYWIIJYUOZ-ABAIWWIYSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000515389653 532363480 /nfs/dbraw/zinc/36/34/80/532363480.db2.gz YVZHHYWIIJYUOZ-ABAIWWIYSA-N 1 2 391.269 2.051 20 0 GEADLO Cc1[nH]c(CNc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)[nH+]c1C ZINC000515434009 532363952 /nfs/dbraw/zinc/36/39/52/532363952.db2.gz FAZUJUGERFHAOW-UHFFFAOYSA-N 1 2 384.889 2.313 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1 ZINC000515430708 532364441 /nfs/dbraw/zinc/36/44/41/532364441.db2.gz RYHFERYYHLSSLW-JTQLQIEISA-N 1 2 379.507 2.224 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1 ZINC000515430708 532364449 /nfs/dbraw/zinc/36/44/49/532364449.db2.gz RYHFERYYHLSSLW-JTQLQIEISA-N 1 2 379.507 2.224 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)C[C@H]1C ZINC000677153981 532365345 /nfs/dbraw/zinc/36/53/45/532365345.db2.gz ZDAYENMTXYKIPF-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)C[C@H]1C ZINC000677153981 532365352 /nfs/dbraw/zinc/36/53/52/532365352.db2.gz ZDAYENMTXYKIPF-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@H]1C ZINC000677183617 532366917 /nfs/dbraw/zinc/36/69/17/532366917.db2.gz FTBABRCAZXHYRA-LLVKDONJSA-N 1 2 378.270 2.457 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@H]1C ZINC000677183617 532366921 /nfs/dbraw/zinc/36/69/21/532366921.db2.gz FTBABRCAZXHYRA-LLVKDONJSA-N 1 2 378.270 2.457 20 0 GEADLO O=S1(=O)CCC(O)(C[NH2+][C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621753832 532367812 /nfs/dbraw/zinc/36/78/12/532367812.db2.gz WGVVBLSJWNMBCD-LBPRGKRZSA-N 1 2 398.269 2.285 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@]34CCC(=O)N3CCS4)n2)C1 ZINC000557559929 532368025 /nfs/dbraw/zinc/36/80/25/532368025.db2.gz ZDBPZXZGVNQRRY-PXAZEXFGSA-N 1 2 380.539 2.379 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@]34CCC(=O)N3CCS4)n2)C1 ZINC000557559929 532368027 /nfs/dbraw/zinc/36/80/27/532368027.db2.gz ZDBPZXZGVNQRRY-PXAZEXFGSA-N 1 2 380.539 2.379 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)c1cncc(Cl)c1)[NH+]1CCOCC1 ZINC000677239080 532368819 /nfs/dbraw/zinc/36/88/19/532368819.db2.gz OAUKUOJCKXYEBP-MRXNPFEDSA-N 1 2 375.922 2.150 20 0 GEADLO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000463218034 532368868 /nfs/dbraw/zinc/36/88/68/532368868.db2.gz INJMERLTCOVYHV-ZDUSSCGKSA-N 1 2 376.831 2.127 20 0 GEADLO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000463218034 532368874 /nfs/dbraw/zinc/36/88/74/532368874.db2.gz INJMERLTCOVYHV-ZDUSSCGKSA-N 1 2 376.831 2.127 20 0 GEADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1cc(Br)cc2ccccc21 ZINC000425285302 532381069 /nfs/dbraw/zinc/38/10/69/532381069.db2.gz GEQMUVUTUMQYBZ-OAHLLOKOSA-N 1 2 393.281 2.025 20 0 GEADLO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000463782224 532381734 /nfs/dbraw/zinc/38/17/34/532381734.db2.gz KQRPEWNIQJHVFI-UHFFFAOYSA-N 1 2 381.249 2.280 20 0 GEADLO Cn1ncc(Br)c1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000294790415 532381997 /nfs/dbraw/zinc/38/19/97/532381997.db2.gz HMTSSFXJZMRNMS-UHFFFAOYSA-N 1 2 378.274 2.498 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@H](n2ccnn2)C1)c1ccc(Br)cc1 ZINC000516280994 532384516 /nfs/dbraw/zinc/38/45/16/532384516.db2.gz WWZXCQHHVHXBGM-AWEZNQCLSA-N 1 2 399.314 2.151 20 0 GEADLO O=S(=O)(CC[N@H+]1CCC[C@H](n2ccnn2)C1)c1ccc(Br)cc1 ZINC000516280994 532384523 /nfs/dbraw/zinc/38/45/23/532384523.db2.gz WWZXCQHHVHXBGM-AWEZNQCLSA-N 1 2 399.314 2.151 20 0 GEADLO CO[C@@H](c1ccccc1Cl)[C@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463850163 532385401 /nfs/dbraw/zinc/38/54/01/532385401.db2.gz LWDCSFJFKQFIMS-WMLDXEAASA-N 1 2 390.933 2.058 20 0 GEADLO CC[C@H](NC(=O)NC1CC[NH+](Cc2cscn2)CC1)[C@@H](O)C(F)(F)F ZINC000372322045 532386017 /nfs/dbraw/zinc/38/60/17/532386017.db2.gz RRRPUVWPSUUTGD-QWHCGFSZSA-N 1 2 380.436 2.109 20 0 GEADLO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623299444 532386420 /nfs/dbraw/zinc/38/64/20/532386420.db2.gz YKSDLHIHCLSLMW-IAQYHMDHSA-N 1 2 376.869 2.471 20 0 GEADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000372384105 532388834 /nfs/dbraw/zinc/38/88/34/532388834.db2.gz KGUMGXICQYCWGJ-LLVKDONJSA-N 1 2 384.889 2.128 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000677973616 532388913 /nfs/dbraw/zinc/38/89/13/532388913.db2.gz DUVDXQSPKUCOFP-INIZCTEOSA-N 1 2 391.269 2.126 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000516783737 532390972 /nfs/dbraw/zinc/39/09/72/532390972.db2.gz FXECCHFURGEKPC-UHFFFAOYSA-N 1 2 393.962 2.013 20 0 GEADLO C[N@H+](CCN1CCCS1(=O)=O)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000678296954 532391508 /nfs/dbraw/zinc/39/15/08/532391508.db2.gz HZWHVNLEICJEGY-UHFFFAOYSA-N 1 2 382.917 2.052 20 0 GEADLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000678296954 532391513 /nfs/dbraw/zinc/39/15/13/532391513.db2.gz HZWHVNLEICJEGY-UHFFFAOYSA-N 1 2 382.917 2.052 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1C(F)(F)F ZINC000558471238 532392140 /nfs/dbraw/zinc/39/21/40/532392140.db2.gz OEFYCVKQXBYSTQ-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ccc1C(F)(F)F ZINC000558471238 532392145 /nfs/dbraw/zinc/39/21/45/532392145.db2.gz OEFYCVKQXBYSTQ-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678310473 532393432 /nfs/dbraw/zinc/39/34/32/532393432.db2.gz KTWWQKGTGFGDFS-GFCCVEGCSA-N 1 2 375.230 2.166 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)c2cnc(Cl)c(F)c2)C[C@@H](C)O1 ZINC000279272112 532394540 /nfs/dbraw/zinc/39/45/40/532394540.db2.gz NMBDQUVYHHHIEQ-UPJWGTAASA-N 1 2 391.896 2.136 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc(F)cc1Br)C2 ZINC000372627286 532398499 /nfs/dbraw/zinc/39/84/99/532398499.db2.gz YJSIMOWCCNUIJM-LLVKDONJSA-N 1 2 388.262 2.386 20 0 GEADLO COc1nc(N2CC[NH+](Cc3ccnn3C(C)C)CC2)ncc1Br ZINC000279707060 532398649 /nfs/dbraw/zinc/39/86/49/532398649.db2.gz SNYAKYLPQZBBLJ-UHFFFAOYSA-N 1 2 395.305 2.347 20 0 GEADLO Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1Br ZINC000516898278 532396173 /nfs/dbraw/zinc/39/61/73/532396173.db2.gz SYJFLNFRVWMOTF-SNVBAGLBSA-N 1 2 377.242 2.093 20 0 GEADLO Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1Br ZINC000516898278 532396178 /nfs/dbraw/zinc/39/61/78/532396178.db2.gz SYJFLNFRVWMOTF-SNVBAGLBSA-N 1 2 377.242 2.093 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000591112407 532399607 /nfs/dbraw/zinc/39/96/07/532399607.db2.gz CYHVTCYBIWRWBF-UHFFFAOYSA-N 1 2 396.329 2.004 20 0 GEADLO O=C1CSc2ncnc(NC[C@@H](c3cccs3)[NH+]3CCOCC3)c2N1 ZINC000372672653 532399928 /nfs/dbraw/zinc/39/99/28/532399928.db2.gz GYDZITHURLJHJA-NSHDSACASA-N 1 2 377.495 2.068 20 0 GEADLO COC(=O)CC[N@H+](Cc1nnc(C)n1C)Cc1cccc(Br)c1 ZINC000192328623 532403305 /nfs/dbraw/zinc/40/33/05/532403305.db2.gz IJLJDHHJWQXEAE-UHFFFAOYSA-N 1 2 381.274 2.451 20 0 GEADLO COC(=O)CC[N@@H+](Cc1nnc(C)n1C)Cc1cccc(Br)c1 ZINC000192328623 532403308 /nfs/dbraw/zinc/40/33/08/532403308.db2.gz IJLJDHHJWQXEAE-UHFFFAOYSA-N 1 2 381.274 2.451 20 0 GEADLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ncccc1Br ZINC000279907344 532403416 /nfs/dbraw/zinc/40/34/16/532403416.db2.gz LPNWBGWDBAZUKA-UHFFFAOYSA-N 1 2 377.242 2.006 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCS1)c1ccccc1Cl ZINC000559415946 532401693 /nfs/dbraw/zinc/40/16/93/532401693.db2.gz KKPJTQUHTXTPOI-BBRMVZONSA-N 1 2 383.945 2.461 20 0 GEADLO NS(=O)(=O)c1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)s1 ZINC000591153236 532401964 /nfs/dbraw/zinc/40/19/64/532401964.db2.gz SNZNNQVTTDEJGV-UHFFFAOYSA-N 1 2 386.524 2.090 20 0 GEADLO CCCCN(C(=O)C[N@H+](C)[C@@H]1CC[C@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000464766643 532404672 /nfs/dbraw/zinc/40/46/72/532404672.db2.gz BCDBUBVLFSGEDB-ZACQAIPSSA-N 1 2 390.615 2.408 20 0 GEADLO CCCCN(C(=O)C[N@@H+](C)[C@@H]1CC[C@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000464766643 532404674 /nfs/dbraw/zinc/40/46/74/532404674.db2.gz BCDBUBVLFSGEDB-ZACQAIPSSA-N 1 2 390.615 2.408 20 0 GEADLO CCc1ccc(CNC(=O)C[N@@H+]2CCCN(c3nc(C)ns3)CC2)s1 ZINC000464766606 532405295 /nfs/dbraw/zinc/40/52/95/532405295.db2.gz UPPBIYJACMKBIG-UHFFFAOYSA-N 1 2 379.555 2.299 20 0 GEADLO CCc1ccc(CNC(=O)C[N@H+]2CCCN(c3nc(C)ns3)CC2)s1 ZINC000464766606 532405298 /nfs/dbraw/zinc/40/52/98/532405298.db2.gz UPPBIYJACMKBIG-UHFFFAOYSA-N 1 2 379.555 2.299 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000559930197 532407647 /nfs/dbraw/zinc/40/76/47/532407647.db2.gz WYDQZZRZSWRMHP-UHFFFAOYSA-N 1 2 380.901 2.252 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000192736523 532407783 /nfs/dbraw/zinc/40/77/83/532407783.db2.gz QWGKFGMCQCBKGJ-HNNXBMFYSA-N 1 2 390.908 2.496 20 0 GEADLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280069722 532408115 /nfs/dbraw/zinc/40/81/15/532408115.db2.gz KYIKXURIKGUNHG-GPXNAGAYSA-N 1 2 381.203 2.215 20 0 GEADLO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000372742824 532406201 /nfs/dbraw/zinc/40/62/01/532406201.db2.gz QXBYFDXNZYBHKS-CQSZACIVSA-N 1 2 386.880 2.226 20 0 GEADLO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000372742824 532406207 /nfs/dbraw/zinc/40/62/07/532406207.db2.gz QXBYFDXNZYBHKS-CQSZACIVSA-N 1 2 386.880 2.226 20 0 GEADLO C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[NH2+][C@@H](c3ccccc3Cl)C1)CS2 ZINC000648894348 532408582 /nfs/dbraw/zinc/40/85/82/532408582.db2.gz YBQNJFPULIHDCS-VKJFTORMSA-N 1 2 379.913 2.267 20 0 GEADLO C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1nccn1C ZINC000517243280 532411364 /nfs/dbraw/zinc/41/13/64/532411364.db2.gz CFSNCQDZXYEESA-JTQLQIEISA-N 1 2 384.221 2.314 20 0 GEADLO COc1c(Br)cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1Br ZINC000680481720 532414779 /nfs/dbraw/zinc/41/47/79/532414779.db2.gz TZXXAMNMQFMJHV-VHSXEESVSA-N 1 2 395.091 2.148 20 0 GEADLO COc1c(Br)cc(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1Br ZINC000680481720 532414787 /nfs/dbraw/zinc/41/47/87/532414787.db2.gz TZXXAMNMQFMJHV-VHSXEESVSA-N 1 2 395.091 2.148 20 0 GEADLO CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000625235050 532416995 /nfs/dbraw/zinc/41/69/95/532416995.db2.gz VKOAVBMFALCOAW-GFCCVEGCSA-N 1 2 381.489 2.471 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000560115418 532415990 /nfs/dbraw/zinc/41/59/90/532415990.db2.gz SFTVXBYUJQSXST-MLGOLLRUSA-N 1 2 397.317 2.315 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000560115418 532416000 /nfs/dbraw/zinc/41/60/00/532416000.db2.gz SFTVXBYUJQSXST-MLGOLLRUSA-N 1 2 397.317 2.315 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccccc1Br)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372874025 532416142 /nfs/dbraw/zinc/41/61/42/532416142.db2.gz VJLQKOQZKWYMON-UKRRQHHQSA-N 1 2 392.297 2.175 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)ccc2OC)C1 ZINC000517529195 532418475 /nfs/dbraw/zinc/41/84/75/532418475.db2.gz RUBIKMCRABFCPN-GFCCVEGCSA-N 1 2 399.285 2.073 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(Br)ccc2OC)C1 ZINC000517529195 532418480 /nfs/dbraw/zinc/41/84/80/532418480.db2.gz RUBIKMCRABFCPN-GFCCVEGCSA-N 1 2 399.285 2.073 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000193013533 532417524 /nfs/dbraw/zinc/41/75/24/532417524.db2.gz DXGQJHGDZNIYAO-UHFFFAOYSA-N 1 2 389.257 2.394 20 0 GEADLO O=C(CSc1ccc(Cl)cc1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000560498978 532417857 /nfs/dbraw/zinc/41/78/57/532417857.db2.gz QVQXVGDRGWPJOC-UHFFFAOYSA-N 1 2 384.929 2.430 20 0 GEADLO Cc1nc(CN2CC[NH+]([C@H](C)C(=O)NCCc3cccs3)CC2)cs1 ZINC000193046454 532419113 /nfs/dbraw/zinc/41/91/13/532419113.db2.gz SMQZEBMGAUPDEC-CQSZACIVSA-N 1 2 378.567 2.378 20 0 GEADLO CN(Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000295209846 532419718 /nfs/dbraw/zinc/41/97/18/532419718.db2.gz ZWNFGNILSKMWCP-IRXDYDNUSA-N 1 2 382.295 2.479 20 0 GEADLO CN(Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000295209846 532419724 /nfs/dbraw/zinc/41/97/24/532419724.db2.gz ZWNFGNILSKMWCP-IRXDYDNUSA-N 1 2 382.295 2.479 20 0 GEADLO C[N@H+](Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295209846 532419729 /nfs/dbraw/zinc/41/97/29/532419729.db2.gz ZWNFGNILSKMWCP-IRXDYDNUSA-N 1 2 382.295 2.479 20 0 GEADLO C[N@@H+](Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295209846 532419736 /nfs/dbraw/zinc/41/97/36/532419736.db2.gz ZWNFGNILSKMWCP-IRXDYDNUSA-N 1 2 382.295 2.479 20 0 GEADLO CC(C)(C)NC(=O)CNC(=O)C[NH2+]C1(c2ccccc2Br)CCC1 ZINC000649646376 532419897 /nfs/dbraw/zinc/41/98/97/532419897.db2.gz AUZHOYYVYZXWHF-UHFFFAOYSA-N 1 2 396.329 2.449 20 0 GEADLO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372935980 532420175 /nfs/dbraw/zinc/42/01/75/532420175.db2.gz UTFFFANEIXOJAN-LSDHHAIUSA-N 1 2 392.297 2.175 20 0 GEADLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@H](O)CC1(O)CCC1 ZINC000625387016 532422132 /nfs/dbraw/zinc/42/21/32/532422132.db2.gz JMBIOEYBCUBSTJ-MRXNPFEDSA-N 1 2 395.301 2.128 20 0 GEADLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@H](O)CC1(O)CCC1 ZINC000625387016 532422138 /nfs/dbraw/zinc/42/21/38/532422138.db2.gz JMBIOEYBCUBSTJ-MRXNPFEDSA-N 1 2 395.301 2.128 20 0 GEADLO CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)CCOC)c1ccccc1Cl ZINC000517638002 532422172 /nfs/dbraw/zinc/42/21/72/532422172.db2.gz XXZFNKKGCPIGMU-INIZCTEOSA-N 1 2 377.938 2.136 20 0 GEADLO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000281600572 532426483 /nfs/dbraw/zinc/42/64/83/532426483.db2.gz AVYONENQKWRKSI-NXEZZACHSA-N 1 2 392.258 2.296 20 0 GEADLO COCCNC(=O)C1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000681399028 532429017 /nfs/dbraw/zinc/42/90/17/532429017.db2.gz VNAKLJBYIVSISP-UHFFFAOYSA-N 1 2 395.301 2.300 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000281639985 532429323 /nfs/dbraw/zinc/42/93/23/532429323.db2.gz MGIRLQJFUBGWRF-GFCCVEGCSA-N 1 2 379.309 2.336 20 0 GEADLO CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000466526147 532430588 /nfs/dbraw/zinc/43/05/88/532430588.db2.gz AZIUNFHHLZZQTF-CJNGLKHVSA-N 1 2 384.929 2.368 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CCO1 ZINC000427870862 532435432 /nfs/dbraw/zinc/43/54/32/532435432.db2.gz GTDTWUDWVYPPLG-ZDUSSCGKSA-N 1 2 388.295 2.467 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CCO1 ZINC000427870862 532435439 /nfs/dbraw/zinc/43/54/39/532435439.db2.gz GTDTWUDWVYPPLG-ZDUSSCGKSA-N 1 2 388.295 2.467 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000561384420 532436746 /nfs/dbraw/zinc/43/67/46/532436746.db2.gz MALIGEBDOGBKNA-UHFFFAOYSA-N 1 2 388.225 2.371 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)ccc2SC)CCO1 ZINC000427864887 532434441 /nfs/dbraw/zinc/43/44/41/532434441.db2.gz NFNZHKUOPZCVLY-CYBMUJFWSA-N 1 2 385.917 2.227 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)ccc2SC)CCO1 ZINC000427864887 532434447 /nfs/dbraw/zinc/43/44/47/532434447.db2.gz NFNZHKUOPZCVLY-CYBMUJFWSA-N 1 2 385.917 2.227 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132513 532434416 /nfs/dbraw/zinc/43/44/16/532434416.db2.gz MINHIVBJYDJZQO-UHFFFAOYSA-N 1 2 379.295 2.228 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132513 532434424 /nfs/dbraw/zinc/43/44/24/532434424.db2.gz MINHIVBJYDJZQO-UHFFFAOYSA-N 1 2 379.295 2.228 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000193982923 532440643 /nfs/dbraw/zinc/44/06/43/532440643.db2.gz JTMBTFZYDRXVPE-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000193982923 532440649 /nfs/dbraw/zinc/44/06/49/532440649.db2.gz JTMBTFZYDRXVPE-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO Cc1nc(C)n(C2C[NH+](C[C@H](O)COc3cc(F)cc(Br)c3)C2)n1 ZINC000518167252 532437184 /nfs/dbraw/zinc/43/71/84/532437184.db2.gz YWMRGDIPTGUIBK-HNNXBMFYSA-N 1 2 399.264 2.093 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000373179199 532437220 /nfs/dbraw/zinc/43/72/20/532437220.db2.gz XZOHZGNQCUNXEX-KRWDZBQOSA-N 1 2 380.901 2.182 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000373179199 532437223 /nfs/dbraw/zinc/43/72/23/532437223.db2.gz XZOHZGNQCUNXEX-KRWDZBQOSA-N 1 2 380.901 2.182 20 0 GEADLO O=C(C[N@H+]1CC[C@](O)(C2CC2)C1)Nc1ccccc1I ZINC000373246248 532437924 /nfs/dbraw/zinc/43/79/24/532437924.db2.gz OACSOGQBUKGHHJ-OAHLLOKOSA-N 1 2 386.233 2.077 20 0 GEADLO O=C(C[N@@H+]1CC[C@](O)(C2CC2)C1)Nc1ccccc1I ZINC000373246248 532437932 /nfs/dbraw/zinc/43/79/32/532437932.db2.gz OACSOGQBUKGHHJ-OAHLLOKOSA-N 1 2 386.233 2.077 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)Cc3ccccc3Br)CC2)cn1 ZINC000592063135 532438505 /nfs/dbraw/zinc/43/85/05/532438505.db2.gz UPKSCYUMCSOAKN-UHFFFAOYSA-N 1 2 377.286 2.070 20 0 GEADLO O=C(c1cccc(Br)c1O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000518575573 532443794 /nfs/dbraw/zinc/44/37/94/532443794.db2.gz DFQFWQZMDTXNNZ-UHFFFAOYSA-N 1 2 383.286 2.339 20 0 GEADLO O=C(COc1cccc(I)c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000373330996 532444189 /nfs/dbraw/zinc/44/41/89/532444189.db2.gz HUGCIXQADCOUSA-NSHDSACASA-N 1 2 397.216 2.067 20 0 GEADLO O=C(COc1cccc(I)c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000373330996 532444195 /nfs/dbraw/zinc/44/41/95/532444195.db2.gz HUGCIXQADCOUSA-NSHDSACASA-N 1 2 397.216 2.067 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)[C@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000373377552 532444759 /nfs/dbraw/zinc/44/47/59/532444759.db2.gz LDBOYYBLFKXSOE-VBNZEHGJSA-N 1 2 376.881 2.323 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)[C@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000373377552 532444768 /nfs/dbraw/zinc/44/47/68/532444768.db2.gz LDBOYYBLFKXSOE-VBNZEHGJSA-N 1 2 376.881 2.323 20 0 GEADLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3cncc(Br)c3)cn2c1 ZINC000561515654 532441980 /nfs/dbraw/zinc/44/19/80/532441980.db2.gz INFQZMLHDNHEIU-UHFFFAOYSA-N 1 2 381.255 2.279 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000518830502 532447379 /nfs/dbraw/zinc/44/73/79/532447379.db2.gz NNMNGDMAZVTAGY-CQSZACIVSA-N 1 2 388.917 2.405 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000518830502 532447383 /nfs/dbraw/zinc/44/73/83/532447383.db2.gz NNMNGDMAZVTAGY-CQSZACIVSA-N 1 2 388.917 2.405 20 0 GEADLO CC(C)[C@@H]1CN(c2c(F)cc(S(N)(=O)=O)cc2Br)CC[N@@H+]1C ZINC000428252098 532447458 /nfs/dbraw/zinc/44/74/58/532447458.db2.gz DZERELLTBOVIIL-ZDUSSCGKSA-N 1 2 394.310 2.012 20 0 GEADLO CC(C)[C@@H]1CN(c2c(F)cc(S(N)(=O)=O)cc2Br)CC[N@H+]1C ZINC000428252098 532447465 /nfs/dbraw/zinc/44/74/65/532447465.db2.gz DZERELLTBOVIIL-ZDUSSCGKSA-N 1 2 394.310 2.012 20 0 GEADLO CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000592371449 532451467 /nfs/dbraw/zinc/45/14/67/532451467.db2.gz PWVZZHHXLZCBBR-GDBMZVCRSA-N 1 2 381.567 2.340 20 0 GEADLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000592380035 532452828 /nfs/dbraw/zinc/45/28/28/532452828.db2.gz RVOUXHJKYCQYOC-WDEREUQCSA-N 1 2 378.420 2.009 20 0 GEADLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2cc(C(=O)OC)sc2C)CC1 ZINC000295530537 532455931 /nfs/dbraw/zinc/45/59/31/532455931.db2.gz IYRFXQBWIXDKIA-VWLOTQADSA-N 1 2 387.523 2.119 20 0 GEADLO COc1ccc(Cl)cc1CS(=O)(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000467801707 532456248 /nfs/dbraw/zinc/45/62/48/532456248.db2.gz VYACCQCPIMMYRV-UHFFFAOYSA-N 1 2 390.933 2.221 20 0 GEADLO Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1I ZINC000519122682 532456425 /nfs/dbraw/zinc/45/64/25/532456425.db2.gz RQVNDYSUYHVOAV-LBPRGKRZSA-N 1 2 388.249 2.050 20 0 GEADLO Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1I ZINC000519122682 532456430 /nfs/dbraw/zinc/45/64/30/532456430.db2.gz RQVNDYSUYHVOAV-LBPRGKRZSA-N 1 2 388.249 2.050 20 0 GEADLO CNS(=O)(=O)CCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428785819 532462160 /nfs/dbraw/zinc/46/21/60/532462160.db2.gz REDYUFMPCNSQQN-IUODEOHRSA-N 1 2 380.432 2.407 20 0 GEADLO CNS(=O)(=O)CCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428785819 532462163 /nfs/dbraw/zinc/46/21/63/532462163.db2.gz REDYUFMPCNSQQN-IUODEOHRSA-N 1 2 380.432 2.407 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cccc2nsnc21)[N@@H+]1CCc2sccc2C1 ZINC000519164356 532458434 /nfs/dbraw/zinc/45/84/34/532458434.db2.gz KBPFCDVMXGJQAF-LLVKDONJSA-N 1 2 394.547 2.478 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cccc2nsnc21)[N@H+]1CCc2sccc2C1 ZINC000519164356 532458438 /nfs/dbraw/zinc/45/84/38/532458438.db2.gz KBPFCDVMXGJQAF-LLVKDONJSA-N 1 2 394.547 2.478 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](c2csc(C)c2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000373587592 532458450 /nfs/dbraw/zinc/45/84/50/532458450.db2.gz XWFWIDBMLGTCQC-ZOBUZTSGSA-N 1 2 384.567 2.270 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](c2csc(C)c2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000373587592 532458453 /nfs/dbraw/zinc/45/84/53/532458453.db2.gz XWFWIDBMLGTCQC-ZOBUZTSGSA-N 1 2 384.567 2.270 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cnn(-c3cccc(Br)c3)c2)CCO1 ZINC000592754346 532459738 /nfs/dbraw/zinc/45/97/38/532459738.db2.gz BSEBDHRNELTNLL-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cnn(-c3cccc(Br)c3)c2)CCO1 ZINC000592754346 532459745 /nfs/dbraw/zinc/45/97/45/532459745.db2.gz BSEBDHRNELTNLL-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000295592457 532460305 /nfs/dbraw/zinc/46/03/05/532460305.db2.gz HVACPDSKIXDPPL-LBPRGKRZSA-N 1 2 391.269 2.335 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC000519376695 532461286 /nfs/dbraw/zinc/46/12/86/532461286.db2.gz YTUOZKXSOMWVAW-CYBMUJFWSA-N 1 2 386.857 2.301 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C2(c3cncc(Br)c3)CC2)C[C@H](C)O1 ZINC000282401814 532464011 /nfs/dbraw/zinc/46/40/11/532464011.db2.gz QKBRYZAVFVBTJL-OKILXGFUSA-N 1 2 396.329 2.443 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C2(c3cncc(Br)c3)CC2)C[C@H](C)O1 ZINC000282401814 532464019 /nfs/dbraw/zinc/46/40/19/532464019.db2.gz QKBRYZAVFVBTJL-OKILXGFUSA-N 1 2 396.329 2.443 20 0 GEADLO O=S(=O)(c1cc(F)cc(Cl)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282416291 532465270 /nfs/dbraw/zinc/46/52/70/532465270.db2.gz DIRCDFYCNJNIJB-CYBMUJFWSA-N 1 2 376.881 2.212 20 0 GEADLO Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1Cl ZINC000282416964 532465347 /nfs/dbraw/zinc/46/53/47/532465347.db2.gz SZEABLVEFUOJEK-GFCCVEGCSA-N 1 2 383.905 2.175 20 0 GEADLO CNS(=O)(=O)CCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000428925021 532465549 /nfs/dbraw/zinc/46/55/49/532465549.db2.gz RANBJEDTCSUWPR-WFASDCNBSA-N 1 2 380.432 2.407 20 0 GEADLO CNS(=O)(=O)CCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000428925021 532465552 /nfs/dbraw/zinc/46/55/52/532465552.db2.gz RANBJEDTCSUWPR-WFASDCNBSA-N 1 2 380.432 2.407 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ncc(Br)c2ccc(F)cc21 ZINC000651326052 532466025 /nfs/dbraw/zinc/46/60/25/532466025.db2.gz YHULVVPIYQGISL-CYBMUJFWSA-N 1 2 398.276 2.266 20 0 GEADLO [NH3+][C@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)c1cscn1 ZINC000519407286 532463117 /nfs/dbraw/zinc/46/31/17/532463117.db2.gz DHGLJRAVWHMOKI-HNNXBMFYSA-N 1 2 395.326 2.250 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1c(Cl)cc(F)cc1Cl ZINC000373819783 532472357 /nfs/dbraw/zinc/47/23/57/532472357.db2.gz ODLFZEKFGRSBSZ-LLVKDONJSA-N 1 2 383.272 2.274 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1c(Cl)cc(F)cc1Cl ZINC000373819783 532472362 /nfs/dbraw/zinc/47/23/62/532472362.db2.gz ODLFZEKFGRSBSZ-LLVKDONJSA-N 1 2 383.272 2.274 20 0 GEADLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccnn3CC(F)(F)F)CC2)S1 ZINC000295718832 532472634 /nfs/dbraw/zinc/47/26/34/532472634.db2.gz DIIBRIIEMMOQLZ-UHFFFAOYSA-N 1 2 375.420 2.085 20 0 GEADLO NC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)C1 ZINC000628426620 532467559 /nfs/dbraw/zinc/46/75/59/532467559.db2.gz BDPJFWDNBIPLCB-ZKCHVHJHSA-N 1 2 378.064 2.271 20 0 GEADLO Cc1c(C(=O)NC[C@H]2COCC[N@H+]2C)cnn1-c1ccc(Br)cc1 ZINC000628923508 532476671 /nfs/dbraw/zinc/47/66/71/532476671.db2.gz UZEUNNWIAHMAOH-HNNXBMFYSA-N 1 2 393.285 2.004 20 0 GEADLO Cc1c(C(=O)NC[C@H]2COCC[N@@H+]2C)cnn1-c1ccc(Br)cc1 ZINC000628923508 532476676 /nfs/dbraw/zinc/47/66/76/532476676.db2.gz UZEUNNWIAHMAOH-HNNXBMFYSA-N 1 2 393.285 2.004 20 0 GEADLO CN1CCOC[C@@H]1CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000628917581 532476895 /nfs/dbraw/zinc/47/68/95/532476895.db2.gz KKHLHBRCFVRWQK-IRXDYDNUSA-N 1 2 396.329 2.033 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000628921884 532477067 /nfs/dbraw/zinc/47/70/67/532477067.db2.gz MKXZENMZUHSQEI-SNVBAGLBSA-N 1 2 397.191 2.408 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000628921884 532477071 /nfs/dbraw/zinc/47/70/71/532477071.db2.gz MKXZENMZUHSQEI-SNVBAGLBSA-N 1 2 397.191 2.408 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CCC[C@H]2c2[nH+]ccn2C)c(=O)n1C ZINC000373892766 532477418 /nfs/dbraw/zinc/47/74/18/532477418.db2.gz NAVQIDLOFFTLGH-ZDUSSCGKSA-N 1 2 379.258 2.167 20 0 GEADLO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)c(F)cc3O)[C@H]2C1 ZINC000295794654 532477673 /nfs/dbraw/zinc/47/76/73/532477673.db2.gz FNESWCHGXAJYAL-DZGCQCFKSA-N 1 2 387.249 2.229 20 0 GEADLO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)c(F)cc3O)[C@H]2C1 ZINC000295794654 532477680 /nfs/dbraw/zinc/47/76/80/532477680.db2.gz FNESWCHGXAJYAL-DZGCQCFKSA-N 1 2 387.249 2.229 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)cc1Cl ZINC000295860309 532481912 /nfs/dbraw/zinc/48/19/12/532481912.db2.gz XVGNACFPAYZKTB-AWEZNQCLSA-N 1 2 387.889 2.120 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCOc1ccccc1Br ZINC000468976518 532483959 /nfs/dbraw/zinc/48/39/59/532483959.db2.gz OVRQVXJGNPAOPD-CQSZACIVSA-N 1 2 385.302 2.397 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(F)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000651690563 532487492 /nfs/dbraw/zinc/48/74/92/532487492.db2.gz LDISLPFEJZINOU-CYBMUJFWSA-N 1 2 376.881 2.212 20 0 GEADLO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NS(=O)(=O)c2cccs2)C1 ZINC000430061469 532488415 /nfs/dbraw/zinc/48/84/15/532488415.db2.gz QJQNCDVEBYPEOJ-CQSZACIVSA-N 1 2 379.507 2.246 20 0 GEADLO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NS(=O)(=O)c2cccs2)C1 ZINC000430061469 532488420 /nfs/dbraw/zinc/48/84/20/532488420.db2.gz QJQNCDVEBYPEOJ-CQSZACIVSA-N 1 2 379.507 2.246 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000520354262 532489618 /nfs/dbraw/zinc/48/96/18/532489618.db2.gz JNEFHQMQUQTURG-NSHDSACASA-N 1 2 377.242 2.184 20 0 GEADLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1Cl ZINC000295965402 532490105 /nfs/dbraw/zinc/49/01/05/532490105.db2.gz JTYKPUVGBCVYMM-CQSZACIVSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1Cl ZINC000295965402 532490113 /nfs/dbraw/zinc/49/01/13/532490113.db2.gz JTYKPUVGBCVYMM-CQSZACIVSA-N 1 2 386.901 2.127 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1Br ZINC000629438111 532491968 /nfs/dbraw/zinc/49/19/68/532491968.db2.gz CQZXBILFNQGFIS-OAHLLOKOSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1Br ZINC000629438111 532491972 /nfs/dbraw/zinc/49/19/72/532491972.db2.gz CQZXBILFNQGFIS-OAHLLOKOSA-N 1 2 390.281 2.475 20 0 GEADLO O[C@@H](COC1CCOCC1)C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000282754214 532492729 /nfs/dbraw/zinc/49/27/29/532492729.db2.gz KJYNOSRNRTVKRE-OAHLLOKOSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@@H](COC1CCOCC1)C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000282754214 532492737 /nfs/dbraw/zinc/49/27/37/532492737.db2.gz KJYNOSRNRTVKRE-OAHLLOKOSA-N 1 2 386.286 2.200 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1C[N@H+](Cc2cc3cnccc3o2)C[C@H]1C(F)(F)F ZINC000651805871 532494254 /nfs/dbraw/zinc/49/42/54/532494254.db2.gz GMJSBXHKLDTKAY-TZMCWYRMSA-N 1 2 377.388 2.082 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1C[N@@H+](Cc2cc3cnccc3o2)C[C@H]1C(F)(F)F ZINC000651805871 532494265 /nfs/dbraw/zinc/49/42/65/532494265.db2.gz GMJSBXHKLDTKAY-TZMCWYRMSA-N 1 2 377.388 2.082 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3C[C@H](O)C3(C)C)[nH+]c12 ZINC000430308714 532495311 /nfs/dbraw/zinc/49/53/11/532495311.db2.gz UMEMNLQKBUVQMD-STQMWFEESA-N 1 2 381.274 2.364 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000469203439 532495776 /nfs/dbraw/zinc/49/57/76/532495776.db2.gz UDWMDVHLOJBMJB-ZIAGYGMSSA-N 1 2 385.302 2.396 20 0 GEADLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000562622656 532475086 /nfs/dbraw/zinc/47/50/86/532475086.db2.gz VKWGZADMQQWCGZ-MWLCHTKSSA-N 1 2 380.666 2.336 20 0 GEADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000562622656 532475091 /nfs/dbraw/zinc/47/50/91/532475091.db2.gz VKWGZADMQQWCGZ-MWLCHTKSSA-N 1 2 380.666 2.336 20 0 GEADLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)CCO2)c1cccs1 ZINC000521002266 532503155 /nfs/dbraw/zinc/50/31/55/532503155.db2.gz VKBRHPQQHNBRJL-AWEZNQCLSA-N 1 2 380.491 2.295 20 0 GEADLO C[NH2+][C@H](C)Cc1noc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 ZINC000521042723 532503200 /nfs/dbraw/zinc/50/32/00/532503200.db2.gz NWSZKJPTKOMHJG-SNVBAGLBSA-N 1 2 379.467 2.144 20 0 GEADLO CCc1cccc(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 ZINC000470000534 532518825 /nfs/dbraw/zinc/51/88/25/532518825.db2.gz RKFXNYJHRLGGGV-UHFFFAOYSA-N 1 2 379.448 2.200 20 0 GEADLO Cn1ncc2c1nc(N1CCOc3ccc(Br)cc3C1)[nH+]c2N ZINC000282888288 532504621 /nfs/dbraw/zinc/50/46/21/532504621.db2.gz SBHWBINLAWSSAY-UHFFFAOYSA-N 1 2 375.230 2.107 20 0 GEADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000469594234 532506149 /nfs/dbraw/zinc/50/61/49/532506149.db2.gz DPQGVKMRTMDXOL-NSHDSACASA-N 1 2 379.258 2.378 20 0 GEADLO Cn1cnc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000521171612 532507596 /nfs/dbraw/zinc/50/75/96/532507596.db2.gz TZAALJPGBFQYDQ-CQSZACIVSA-N 1 2 386.880 2.156 20 0 GEADLO Cn1cnc(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000521171612 532507602 /nfs/dbraw/zinc/50/76/02/532507602.db2.gz TZAALJPGBFQYDQ-CQSZACIVSA-N 1 2 386.880 2.156 20 0 GEADLO COCCN1CCC[N@H+](CCOc2cc(F)cc(Br)c2)CC1=O ZINC000469689699 532508626 /nfs/dbraw/zinc/50/86/26/532508626.db2.gz IASKXXIRVJTJPG-UHFFFAOYSA-N 1 2 389.265 2.148 20 0 GEADLO COCCN1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)CC1=O ZINC000469689699 532508630 /nfs/dbraw/zinc/50/86/30/532508630.db2.gz IASKXXIRVJTJPG-UHFFFAOYSA-N 1 2 389.265 2.148 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1)c1cccc(Br)c1 ZINC000374541582 532510167 /nfs/dbraw/zinc/51/01/67/532510167.db2.gz OYSPBEJIHRXSKP-GFCCVEGCSA-N 1 2 399.314 2.221 20 0 GEADLO O=S(=O)(CC[N@H+]1CCC[C@@H](c2nnc[nH]2)C1)c1cccc(Br)c1 ZINC000374541582 532510179 /nfs/dbraw/zinc/51/01/79/532510179.db2.gz OYSPBEJIHRXSKP-GFCCVEGCSA-N 1 2 399.314 2.221 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)c1ccc(Cl)cc1 ZINC000283005412 532512539 /nfs/dbraw/zinc/51/25/39/532512539.db2.gz RMVDHFDNPCCKHM-HZPDHXFCSA-N 1 2 384.929 2.274 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000296330954 532514327 /nfs/dbraw/zinc/51/43/27/532514327.db2.gz LPXMRADBXDRNKQ-UHFFFAOYSA-N 1 2 395.257 2.436 20 0 GEADLO Nc1ccc(NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)c[nH+]1 ZINC000238006756 532515569 /nfs/dbraw/zinc/51/55/69/532515569.db2.gz HLFWKKTVPMDQNJ-LLVKDONJSA-N 1 2 375.226 2.418 20 0 GEADLO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCCn1cc[nH+]c1 ZINC000630400044 532516039 /nfs/dbraw/zinc/51/60/39/532516039.db2.gz KAQRLOCQYPFBPZ-AWEZNQCLSA-N 1 2 387.267 2.271 20 0 GEADLO CC(C)OCCOC1CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000520819473 532498724 /nfs/dbraw/zinc/49/87/24/532498724.db2.gz BHWQLVLNXSZLTP-UHFFFAOYSA-N 1 2 390.933 2.393 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000374371479 532499614 /nfs/dbraw/zinc/49/96/14/532499614.db2.gz YPVLRXJRXYQCRX-VIFPVBQESA-N 1 2 375.422 2.108 20 0 GEADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000521807201 532518749 /nfs/dbraw/zinc/51/87/49/532518749.db2.gz QARIXXDBNHAFST-WCQYABFASA-N 1 2 384.307 2.464 20 0 GEADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000521807201 532518757 /nfs/dbraw/zinc/51/87/57/532518757.db2.gz QARIXXDBNHAFST-WCQYABFASA-N 1 2 384.307 2.464 20 0 GEADLO Cc1ccc(Br)cc1S(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000470769988 532535291 /nfs/dbraw/zinc/53/52/91/532535291.db2.gz WDBUGVDRBMHWST-UHFFFAOYSA-N 1 2 382.239 2.300 20 0 GEADLO C[C@H](Cc1ccsc1)[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000525889744 532535813 /nfs/dbraw/zinc/53/58/13/532535813.db2.gz FIXWIUNAUZRVRE-LLVKDONJSA-N 1 2 385.477 2.130 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000296736406 532538228 /nfs/dbraw/zinc/53/82/28/532538228.db2.gz CRPGJXBXDHFOAG-GRYCIOLGSA-N 1 2 378.420 2.251 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)n1 ZINC000470939266 532538980 /nfs/dbraw/zinc/53/89/80/532538980.db2.gz DESCHSXWTDXWKN-MWLCHTKSSA-N 1 2 379.404 2.460 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)n1 ZINC000470939266 532538984 /nfs/dbraw/zinc/53/89/84/532538984.db2.gz DESCHSXWTDXWKN-MWLCHTKSSA-N 1 2 379.404 2.460 20 0 GEADLO CC(C)[C@@H]([NH2+]Cc1ncc(Cl)s1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000471022660 532540161 /nfs/dbraw/zinc/54/01/61/532540161.db2.gz OWYLLIFONJWVHE-OAHLLOKOSA-N 1 2 382.921 2.107 20 0 GEADLO Ic1ccc2c(c1)[C@@H]([NH2+]Cc1nnnn1CC1CC1)CC2 ZINC000595033932 532541068 /nfs/dbraw/zinc/54/10/68/532541068.db2.gz SYPLSHRYFIGWDB-AWEZNQCLSA-N 1 2 395.248 2.465 20 0 GEADLO O=C(NCC[C@]1(O)CCOC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000652805095 532520195 /nfs/dbraw/zinc/52/01/95/532520195.db2.gz QMZDTJNMWUNELH-WMZOPIPTSA-N 1 2 397.313 2.244 20 0 GEADLO Cc1csc2c1C[N@H+]([C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)CC2 ZINC000374839810 532520781 /nfs/dbraw/zinc/52/07/81/532520781.db2.gz CTUVIHNTUJONBE-GFCCVEGCSA-N 1 2 379.507 2.089 20 0 GEADLO Cc1csc2c1C[N@@H+]([C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)CC2 ZINC000374839810 532520787 /nfs/dbraw/zinc/52/07/87/532520787.db2.gz CTUVIHNTUJONBE-GFCCVEGCSA-N 1 2 379.507 2.089 20 0 GEADLO O=C(CCOc1cccc(Br)c1)NCC1([NH+]2CCOCC2)CC1 ZINC000470158787 532521257 /nfs/dbraw/zinc/52/12/57/532521257.db2.gz OQZWTSMDJAPFOM-UHFFFAOYSA-N 1 2 383.286 2.199 20 0 GEADLO CC[C@H](CSC)[N@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000245568844 532521353 /nfs/dbraw/zinc/52/13/53/532521353.db2.gz ABVOMYNMPKGXMT-ZBFHGGJFSA-N 1 2 376.588 2.018 20 0 GEADLO CC[C@H](CSC)[N@@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000245568844 532521359 /nfs/dbraw/zinc/52/13/59/532521359.db2.gz ABVOMYNMPKGXMT-ZBFHGGJFSA-N 1 2 376.588 2.018 20 0 GEADLO C[C@H](c1nnc(-c2cccc(F)c2)s1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000374876881 532522023 /nfs/dbraw/zinc/52/20/23/532522023.db2.gz NKPZZRYYAODPRQ-VXGBXAGGSA-N 1 2 384.502 2.406 20 0 GEADLO C[C@H](c1nnc(-c2cccc(F)c2)s1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000374876881 532522027 /nfs/dbraw/zinc/52/20/27/532522027.db2.gz NKPZZRYYAODPRQ-VXGBXAGGSA-N 1 2 384.502 2.406 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000431776698 532522212 /nfs/dbraw/zinc/52/22/12/532522212.db2.gz SKOKZYNZCVDOHO-AWEZNQCLSA-N 1 2 396.329 2.223 20 0 GEADLO O=C(NC[C@@H](O)c1cccc(Br)c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000283158525 532522750 /nfs/dbraw/zinc/52/27/50/532522750.db2.gz IKOGFYSPBQPIRT-DLBZAZTESA-N 1 2 397.313 2.242 20 0 GEADLO O=C(NC[C@@H](O)c1cccc(Br)c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000283158525 532522755 /nfs/dbraw/zinc/52/27/55/532522755.db2.gz IKOGFYSPBQPIRT-DLBZAZTESA-N 1 2 397.313 2.242 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc(Br)cn2)cn1 ZINC000564373889 532523189 /nfs/dbraw/zinc/52/31/89/532523189.db2.gz WIFNVRARNPVFMK-UHFFFAOYSA-N 1 2 389.257 2.117 20 0 GEADLO O=C(C[N@H+]1CCSC[C@H]1CCO)N(Cc1ccccc1)CC(F)(F)F ZINC000470210780 532523363 /nfs/dbraw/zinc/52/33/63/532523363.db2.gz WXOGTHKCLXVGQN-OAHLLOKOSA-N 1 2 376.444 2.377 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@H]1CCO)N(Cc1ccccc1)CC(F)(F)F ZINC000470210780 532523367 /nfs/dbraw/zinc/52/33/67/532523367.db2.gz WXOGTHKCLXVGQN-OAHLLOKOSA-N 1 2 376.444 2.377 20 0 GEADLO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(O)c(OC)cc1Br)CC2 ZINC000374916533 532523414 /nfs/dbraw/zinc/52/34/14/532523414.db2.gz WIVMPMFPNLLIHH-UHFFFAOYSA-N 1 2 394.269 2.298 20 0 GEADLO CCn1nc2c(cc1=O)C[N@H+](Cc1cc(O)c(OC)cc1Br)CC2 ZINC000374916533 532523424 /nfs/dbraw/zinc/52/34/24/532523424.db2.gz WIVMPMFPNLLIHH-UHFFFAOYSA-N 1 2 394.269 2.298 20 0 GEADLO C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ncc(Br)cn1 ZINC000431955348 532525422 /nfs/dbraw/zinc/52/54/22/532525422.db2.gz UMRQOMXQWBCRGI-LLVKDONJSA-N 1 2 379.262 2.497 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Br)c2)C[C@H](C)[N@H+]1C ZINC000296534136 532525997 /nfs/dbraw/zinc/52/59/97/532525997.db2.gz AUVYAXMXSKZMCV-DTORHVGOSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Br)c2)C[C@H](C)[N@@H+]1C ZINC000296534136 532526003 /nfs/dbraw/zinc/52/60/03/532526003.db2.gz AUVYAXMXSKZMCV-DTORHVGOSA-N 1 2 382.711 2.211 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000432074939 532527028 /nfs/dbraw/zinc/52/70/28/532527028.db2.gz DKKSFLTXQPRDLC-MRXNPFEDSA-N 1 2 396.329 2.355 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(OC)c(Br)s2)CCO1 ZINC000470445605 532529006 /nfs/dbraw/zinc/52/90/06/532529006.db2.gz WVUWCGLPLONWKQ-JTQLQIEISA-N 1 2 377.304 2.360 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(OC)c(Br)s2)CCO1 ZINC000470445605 532529008 /nfs/dbraw/zinc/52/90/08/532529008.db2.gz WVUWCGLPLONWKQ-JTQLQIEISA-N 1 2 377.304 2.360 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)Cc2cc(Br)ccc2OC)CCO1 ZINC000470448795 532529021 /nfs/dbraw/zinc/52/90/21/532529021.db2.gz AAHCCOKAJYQMRZ-HNNXBMFYSA-N 1 2 385.302 2.227 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)Cc2cc(Br)ccc2OC)CCO1 ZINC000470448795 532529029 /nfs/dbraw/zinc/52/90/29/532529029.db2.gz AAHCCOKAJYQMRZ-HNNXBMFYSA-N 1 2 385.302 2.227 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375116062 532534146 /nfs/dbraw/zinc/53/41/46/532534146.db2.gz WXUHAPWUDZLULP-UHFFFAOYSA-N 1 2 383.857 2.138 20 0 GEADLO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ncc(Br)cn1 ZINC000432994807 532551403 /nfs/dbraw/zinc/55/14/03/532551403.db2.gz PIALYPDDJJEUEA-NSHDSACASA-N 1 2 399.314 2.340 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nncn2CCc2cccs2)CC1 ZINC000249680119 532569683 /nfs/dbraw/zinc/56/96/83/532569683.db2.gz AHVPUNUJGJJUTD-CQSZACIVSA-N 1 2 379.555 2.227 20 0 GEADLO Cc1cc(NCCCCS(N)(=O)=O)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631282195 532553192 /nfs/dbraw/zinc/55/31/92/532553192.db2.gz XGYCMEPTHDCTRS-UHFFFAOYSA-N 1 2 399.314 2.117 20 0 GEADLO COC(=O)[C@H]1CCC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000595306572 532554542 /nfs/dbraw/zinc/55/45/42/532554542.db2.gz OUNFYTHVBZFYFY-JTQLQIEISA-N 1 2 380.242 2.393 20 0 GEADLO COC(=O)[C@H]1CCC[N@@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000595306572 532554546 /nfs/dbraw/zinc/55/45/46/532554546.db2.gz OUNFYTHVBZFYFY-JTQLQIEISA-N 1 2 380.242 2.393 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248888271 532556561 /nfs/dbraw/zinc/55/65/61/532556561.db2.gz FHTJIWOKBMSRMB-YPMHNXCESA-N 1 2 383.495 2.311 20 0 GEADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000433183829 532556987 /nfs/dbraw/zinc/55/69/87/532556987.db2.gz UHMPGCQXLNBOFU-BRZCCTTDSA-N 1 2 376.316 2.032 20 0 GEADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000433183829 532556993 /nfs/dbraw/zinc/55/69/93/532556993.db2.gz UHMPGCQXLNBOFU-BRZCCTTDSA-N 1 2 376.316 2.032 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(Cl)cc1F ZINC000471778044 532558259 /nfs/dbraw/zinc/55/82/59/532558259.db2.gz DNTMOGHHOIOPNZ-ZDUSSCGKSA-N 1 2 378.897 2.423 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c(Cl)cc1F ZINC000471778044 532558262 /nfs/dbraw/zinc/55/82/62/532558262.db2.gz DNTMOGHHOIOPNZ-ZDUSSCGKSA-N 1 2 378.897 2.423 20 0 GEADLO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2nn(C)cc2Br)C1 ZINC000433203965 532559518 /nfs/dbraw/zinc/55/95/18/532559518.db2.gz DTZFJONWBMUSGG-KRWDZBQOSA-N 1 2 378.270 2.499 20 0 GEADLO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2nn(C)cc2Br)C1 ZINC000433203965 532559528 /nfs/dbraw/zinc/55/95/28/532559528.db2.gz DTZFJONWBMUSGG-KRWDZBQOSA-N 1 2 378.270 2.499 20 0 GEADLO COC[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H](C)O1 ZINC000433236454 532559781 /nfs/dbraw/zinc/55/97/81/532559781.db2.gz RACPVVIUGHYAPI-UHOFOFEASA-N 1 2 383.286 2.290 20 0 GEADLO COC[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H](C)O1 ZINC000433236454 532559782 /nfs/dbraw/zinc/55/97/82/532559782.db2.gz RACPVVIUGHYAPI-UHOFOFEASA-N 1 2 383.286 2.290 20 0 GEADLO O=C(c1cc2sccc2s1)N1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528403931 532563711 /nfs/dbraw/zinc/56/37/11/532563711.db2.gz MWEKELFANHQCSW-ZDUSSCGKSA-N 1 2 380.535 2.387 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)ccc2Br)C1 ZINC000565452120 532563729 /nfs/dbraw/zinc/56/37/29/532563729.db2.gz XEEWUGIPLNCRCQ-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C)ccc2Br)C1 ZINC000565452120 532563732 /nfs/dbraw/zinc/56/37/32/532563732.db2.gz XEEWUGIPLNCRCQ-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000472093990 532564144 /nfs/dbraw/zinc/56/41/44/532564144.db2.gz CROQAWRQDMDPNY-GJZGRUSLSA-N 1 2 388.555 2.021 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472102616 532564719 /nfs/dbraw/zinc/56/47/19/532564719.db2.gz URESCMMJDLLDKB-UHFFFAOYSA-N 1 2 376.360 2.072 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)N(C)CC[N@@H+]1CCO[C@H](C)C1 ZINC000249402465 532564894 /nfs/dbraw/zinc/56/48/94/532564894.db2.gz WJXUBBWQXSKPKK-CZUORRHYSA-N 1 2 385.302 2.316 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)N(C)CC[N@H+]1CCO[C@H](C)C1 ZINC000249402465 532564896 /nfs/dbraw/zinc/56/48/96/532564896.db2.gz WJXUBBWQXSKPKK-CZUORRHYSA-N 1 2 385.302 2.316 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000433369350 532566088 /nfs/dbraw/zinc/56/60/88/532566088.db2.gz ZWJVYRKUIGUGOY-ZDUSSCGKSA-N 1 2 380.432 2.188 20 0 GEADLO C[C@]1(Br)C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000528524860 532568443 /nfs/dbraw/zinc/56/84/43/532568443.db2.gz BWZRHWCUAGXIBL-NUJGCVRESA-N 1 2 381.314 2.220 20 0 GEADLO COc1ccc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c(Br)c1O ZINC000631208280 532547053 /nfs/dbraw/zinc/54/70/53/532547053.db2.gz TWXPWGBKZBNLGL-ZDUSSCGKSA-N 1 2 399.285 2.033 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000631209610 532548028 /nfs/dbraw/zinc/54/80/28/532548028.db2.gz FNLIWNZSSZZQTB-GFCCVEGCSA-N 1 2 382.795 2.228 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(Cl)c(N)c1Cl)C2 ZINC000565086056 532548504 /nfs/dbraw/zinc/54/85/04/532548504.db2.gz JEPPTINMTFDVDY-JTQLQIEISA-N 1 2 383.279 2.360 20 0 GEADLO CC(C)[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000432936572 532548659 /nfs/dbraw/zinc/54/86/59/532548659.db2.gz GXOIDQMMLGCYMA-CQSZACIVSA-N 1 2 381.325 2.317 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cccc(I)c2)C1 ZINC000375308621 532549224 /nfs/dbraw/zinc/54/92/24/532549224.db2.gz JHJYWCZEVWVNSU-AWEZNQCLSA-N 1 2 385.249 2.281 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cccc(I)c2)C1 ZINC000375308621 532549229 /nfs/dbraw/zinc/54/92/29/532549229.db2.gz JHJYWCZEVWVNSU-AWEZNQCLSA-N 1 2 385.249 2.281 20 0 GEADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000262023693 532583241 /nfs/dbraw/zinc/58/32/41/532583241.db2.gz NJRYYQRYKBWCCD-CQSZACIVSA-N 1 2 389.308 2.203 20 0 GEADLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCOC(C)(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000632161305 532583787 /nfs/dbraw/zinc/58/37/87/532583787.db2.gz WCVLYKRKBXUUPN-CVEARBPZSA-N 1 2 376.469 2.445 20 0 GEADLO C[N@H+]1CC[C@@H](NS(=O)(=O)CCOC(C)(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000632161305 532583791 /nfs/dbraw/zinc/58/37/91/532583791.db2.gz WCVLYKRKBXUUPN-CVEARBPZSA-N 1 2 376.469 2.445 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC[N@@H+]1CCOC ZINC000632164054 532584846 /nfs/dbraw/zinc/58/48/46/532584846.db2.gz HCLJGNGHXVECMK-ZDUSSCGKSA-N 1 2 391.921 2.327 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC[N@H+]1CCOC ZINC000632164054 532584851 /nfs/dbraw/zinc/58/48/51/532584851.db2.gz HCLJGNGHXVECMK-ZDUSSCGKSA-N 1 2 391.921 2.327 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCCCn1cc[nH+]c1 ZINC000297369596 532586102 /nfs/dbraw/zinc/58/61/02/532586102.db2.gz LLZBFLZUJHSMPV-OAHLLOKOSA-N 1 2 381.274 2.411 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1)Nc1ccc(Br)cc1F ZINC000284307037 532586369 /nfs/dbraw/zinc/58/63/69/532586369.db2.gz OZTWPUQKHHRUNZ-VIFPVBQESA-N 1 2 399.220 2.083 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1)Nc1ccc(Br)cc1F ZINC000284307037 532586377 /nfs/dbraw/zinc/58/63/77/532586377.db2.gz OZTWPUQKHHRUNZ-VIFPVBQESA-N 1 2 399.220 2.083 20 0 GEADLO CNC(=O)C1C[NH+](Cc2cc(Br)c(OC(F)F)c(OC)c2)C1 ZINC000297397550 532587691 /nfs/dbraw/zinc/58/76/91/532587691.db2.gz LAVGRLVFKVCHDG-UHFFFAOYSA-N 1 2 379.201 2.237 20 0 GEADLO C[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)c1[nH]cc[nH+]1 ZINC000655401109 532588168 /nfs/dbraw/zinc/58/81/68/532588168.db2.gz CBOKMIXTADQHNZ-SECBINFHSA-N 1 2 391.225 2.036 20 0 GEADLO Cc1cc(S(=O)(=O)NCc2ccc[nH+]c2N2CCOCC2)ccc1Cl ZINC000655472385 532590010 /nfs/dbraw/zinc/59/00/10/532590010.db2.gz ISFAFNFSHTWIGP-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO CO[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1Br ZINC000654838486 532571501 /nfs/dbraw/zinc/57/15/01/532571501.db2.gz REZZZDMRCLIKTE-PBHICJAKSA-N 1 2 397.313 2.460 20 0 GEADLO C[C@@]12COC[C@H]1C[N@H+](CC(=O)Nc1ccccc1I)C2 ZINC000595759427 532573617 /nfs/dbraw/zinc/57/36/17/532573617.db2.gz PYZDPWGVSDPYNZ-IAQYHMDHSA-N 1 2 386.233 2.198 20 0 GEADLO C[C@@]12COC[C@H]1C[N@@H+](CC(=O)Nc1ccccc1I)C2 ZINC000595759427 532573621 /nfs/dbraw/zinc/57/36/21/532573621.db2.gz PYZDPWGVSDPYNZ-IAQYHMDHSA-N 1 2 386.233 2.198 20 0 GEADLO Cc1cc(Br)cc2c(C(=O)NC[C@H]3C[NH+]4CCN3CC4)coc21 ZINC000472365812 532573699 /nfs/dbraw/zinc/57/36/99/532573699.db2.gz DOWJPZDTTKUIKA-ZDUSSCGKSA-N 1 2 378.270 2.233 20 0 GEADLO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000261663442 532576479 /nfs/dbraw/zinc/57/64/79/532576479.db2.gz GKNJBCGRNAVALT-QWHCGFSZSA-N 1 2 379.507 2.358 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(Br)c1 ZINC000528748882 532578053 /nfs/dbraw/zinc/57/80/53/532578053.db2.gz SJICDJRHZVABFD-DOPJRALCSA-N 1 2 399.329 2.397 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(Br)c1 ZINC000528748882 532578063 /nfs/dbraw/zinc/57/80/63/532578063.db2.gz SJICDJRHZVABFD-DOPJRALCSA-N 1 2 399.329 2.397 20 0 GEADLO C[C@@H]1C[NH+](CCCCNS(=O)(=O)c2onc(C3CC3)c2Cl)C[C@@H](C)O1 ZINC000632099954 532578161 /nfs/dbraw/zinc/57/81/61/532578161.db2.gz RPXWQMDWTIYNAS-VXGBXAGGSA-N 1 2 391.921 2.373 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)Cc3cc(Br)ccc3F)CC2)cn1 ZINC000433738406 532578897 /nfs/dbraw/zinc/57/88/97/532578897.db2.gz RTROHAXOOHAOJU-UHFFFAOYSA-N 1 2 395.276 2.209 20 0 GEADLO C[C@]1(CO)C[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C[C@@]1(C)CO ZINC000528754290 532579314 /nfs/dbraw/zinc/57/93/14/532579314.db2.gz IXLFFLFMXYVTPG-CALCHBBNSA-N 1 2 385.295 2.387 20 0 GEADLO C[C@]1(CO)C[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C[C@@]1(C)CO ZINC000528754290 532579319 /nfs/dbraw/zinc/57/93/19/532579319.db2.gz IXLFFLFMXYVTPG-CALCHBBNSA-N 1 2 385.295 2.387 20 0 GEADLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000375740667 532580661 /nfs/dbraw/zinc/58/06/61/532580661.db2.gz BIXOYWKFADQYIA-UHFFFAOYSA-N 1 2 389.514 2.360 20 0 GEADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632145018 532581587 /nfs/dbraw/zinc/58/15/87/532581587.db2.gz SQTLSANSGYLUKV-ZIAGYGMSSA-N 1 2 375.560 2.228 20 0 GEADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632145018 532581590 /nfs/dbraw/zinc/58/15/90/532581590.db2.gz SQTLSANSGYLUKV-ZIAGYGMSSA-N 1 2 375.560 2.228 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)NCc2ccc(Cl)s2)C1 ZINC000375767243 532581937 /nfs/dbraw/zinc/58/19/37/532581937.db2.gz CCBAWCYUALPQQK-ZDUSSCGKSA-N 1 2 384.807 2.445 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)NCc2ccc(Cl)s2)C1 ZINC000375767243 532581944 /nfs/dbraw/zinc/58/19/44/532581944.db2.gz CCBAWCYUALPQQK-ZDUSSCGKSA-N 1 2 384.807 2.445 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N2CCOc3c(Br)cccc3C2)c1 ZINC000656322185 532614577 /nfs/dbraw/zinc/61/45/77/532614577.db2.gz PKDLENINLWLYOQ-UHFFFAOYSA-N 1 2 379.258 2.329 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)c1 ZINC000632501438 532615426 /nfs/dbraw/zinc/61/54/26/532615426.db2.gz MQHFSTJBDICXNP-CVEARBPZSA-N 1 2 388.917 2.126 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2cc(F)cc(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632502877 532616510 /nfs/dbraw/zinc/61/65/10/532616510.db2.gz ZKMKSWWXUIDVLQ-CABCVRRESA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)C[C@H]2CCCC(F)(F)C2)C[C@H]1[NH+]1CCOCC1 ZINC000632502606 532617107 /nfs/dbraw/zinc/61/71/07/532617107.db2.gz XISCDHFWLYTUCV-RRFJBIMHSA-N 1 2 380.501 2.231 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000376545232 532617174 /nfs/dbraw/zinc/61/71/74/532617174.db2.gz IKXQVFSLJAGCMQ-NSHDSACASA-N 1 2 384.424 2.031 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000376545232 532617181 /nfs/dbraw/zinc/61/71/81/532617181.db2.gz IKXQVFSLJAGCMQ-NSHDSACASA-N 1 2 384.424 2.031 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000632502450 532617619 /nfs/dbraw/zinc/61/76/19/532617619.db2.gz NAZZJIKORAZUAO-QWHCGFSZSA-N 1 2 394.871 2.396 20 0 GEADLO Cn1nc(C(F)(F)F)cc1S(=O)(=O)Nc1ccccc1CC[NH+](C)C ZINC000530156240 532618364 /nfs/dbraw/zinc/61/83/64/532618364.db2.gz ULRRAAPLMIPJOC-UHFFFAOYSA-N 1 2 376.404 2.344 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3C(F)(F)F)nn2)C1 ZINC000656435327 532619438 /nfs/dbraw/zinc/61/94/38/532619438.db2.gz OEUUKBPDYSAXEV-JTQLQIEISA-N 1 2 394.806 2.216 20 0 GEADLO Cc1csc(-c2ccc(S(=O)(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000655539605 532596590 /nfs/dbraw/zinc/59/65/90/532596590.db2.gz RJQRKBHJYJEVJU-CZUORRHYSA-N 1 2 381.523 2.116 20 0 GEADLO Cc1csc(-c2ccc(S(=O)(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000655539605 532596595 /nfs/dbraw/zinc/59/65/95/532596595.db2.gz RJQRKBHJYJEVJU-CZUORRHYSA-N 1 2 381.523 2.116 20 0 GEADLO Cc1ccccc1[C@@H](CC(F)(F)F)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632282310 532596907 /nfs/dbraw/zinc/59/69/07/532596907.db2.gz YGLWCFVJAGUIFO-DZGCQCFKSA-N 1 2 380.432 2.239 20 0 GEADLO Cc1ccccc1[C@@H](CC(F)(F)F)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632282310 532596916 /nfs/dbraw/zinc/59/69/16/532596916.db2.gz YGLWCFVJAGUIFO-DZGCQCFKSA-N 1 2 380.432 2.239 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1nc2ccc(Br)cc2n1C ZINC000434702487 532600565 /nfs/dbraw/zinc/60/05/65/532600565.db2.gz LGRBETMMGLGQHV-CYBMUJFWSA-N 1 2 381.318 2.488 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000655863004 532601663 /nfs/dbraw/zinc/60/16/63/532601663.db2.gz QLKMQKWJSCQZTH-HNNXBMFYSA-N 1 2 392.301 2.303 20 0 GEADLO CCCc1csc(NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000434757119 532601792 /nfs/dbraw/zinc/60/17/92/532601792.db2.gz FLGKEWGRPDTNBZ-UHFFFAOYSA-N 1 2 378.523 2.440 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)c1cc(I)c(F)cc1F ZINC000566651105 532621586 /nfs/dbraw/zinc/62/15/86/532621586.db2.gz ZEEJHFQUUBFDLU-UHFFFAOYSA-N 1 2 377.132 2.233 20 0 GEADLO CC(C)(C)N1CC[C@H]([NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)C1=O ZINC000566240577 532602217 /nfs/dbraw/zinc/60/22/17/532602217.db2.gz HGTUNRYLWIWKMS-STQMWFEESA-N 1 2 386.265 2.104 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1c(Cl)ccc(F)c1F ZINC000376239912 532603320 /nfs/dbraw/zinc/60/33/20/532603320.db2.gz DKWOARSBVYRHRE-BXUZGUMPSA-N 1 2 394.871 2.397 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CC(C[NH+]2CCOCC2)C1 ZINC000632355250 532605338 /nfs/dbraw/zinc/60/53/38/532605338.db2.gz BMROKSCOFDUXCC-UHFFFAOYSA-N 1 2 398.834 2.312 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ncc(Cl)cc2Br)C1 ZINC000529520775 532606036 /nfs/dbraw/zinc/60/60/36/532606036.db2.gz SLUXADRJDYYGMV-JTQLQIEISA-N 1 2 396.738 2.259 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Br)C1 ZINC000529520775 532606042 /nfs/dbraw/zinc/60/60/42/532606042.db2.gz SLUXADRJDYYGMV-JTQLQIEISA-N 1 2 396.738 2.259 20 0 GEADLO COCC[N@H+](Cc1cc(OC)cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000529568490 532608141 /nfs/dbraw/zinc/60/81/41/532608141.db2.gz ZOIAYAJHLKGSJH-AWEZNQCLSA-N 1 2 381.416 2.350 20 0 GEADLO COCC[N@@H+](Cc1cc(OC)cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000529568490 532608146 /nfs/dbraw/zinc/60/81/46/532608146.db2.gz ZOIAYAJHLKGSJH-AWEZNQCLSA-N 1 2 381.416 2.350 20 0 GEADLO CCOCC[NH+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C)CC1 ZINC000474135716 532608247 /nfs/dbraw/zinc/60/82/47/532608247.db2.gz LMLMZPBTUVVKKP-UHFFFAOYSA-N 1 2 380.432 2.357 20 0 GEADLO CO[C@@H]1C[C@@H](c2nc[nH]n2)N(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000284658808 532609003 /nfs/dbraw/zinc/60/90/03/532609003.db2.gz WBFGNHJXCYEARA-OLZOCXBDSA-N 1 2 377.246 2.177 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000566450888 532609242 /nfs/dbraw/zinc/60/92/42/532609242.db2.gz LWCXLUJUDHCLLN-IINYFYTJSA-N 1 2 379.258 2.036 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000566450888 532609247 /nfs/dbraw/zinc/60/92/47/532609247.db2.gz LWCXLUJUDHCLLN-IINYFYTJSA-N 1 2 379.258 2.036 20 0 GEADLO Cn1cnnc1N1CC[NH+](Cc2ccnc3c(Br)cccc23)CC1 ZINC000656273238 532610904 /nfs/dbraw/zinc/61/09/04/532610904.db2.gz ZPKHARMHWKYQBJ-UHFFFAOYSA-N 1 2 387.285 2.448 20 0 GEADLO CCCNC(=O)CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000297904464 532611389 /nfs/dbraw/zinc/61/13/89/532611389.db2.gz PEJABQJYMKSPHJ-UHFFFAOYSA-N 1 2 393.962 2.014 20 0 GEADLO CON1CCC(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)CC1 ZINC000632455076 532612966 /nfs/dbraw/zinc/61/29/66/532612966.db2.gz SOMPNWQNYBIAFM-UHFFFAOYSA-N 1 2 381.274 2.295 20 0 GEADLO C[C@H]([C@H](C)NC(=O)N[C@H](CO)c1c(Cl)cccc1Cl)[NH+]1CCOCC1 ZINC000474342152 532613318 /nfs/dbraw/zinc/61/33/18/532613318.db2.gz STAGGGJLWJICCJ-YWPYICTPSA-N 1 2 390.311 2.435 20 0 GEADLO CCn1nccc1CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000530518922 532624156 /nfs/dbraw/zinc/62/41/56/532624156.db2.gz NFKSHZWCQIKVBC-UHFFFAOYSA-N 1 2 382.917 2.105 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000376725441 532626544 /nfs/dbraw/zinc/62/65/44/532626544.db2.gz BPCHHFFVXZGEMK-VIFPVBQESA-N 1 2 380.297 2.073 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCN(c3ncc(Cl)cc3Cl)CC2)nc[nH+]1 ZINC000298127676 532627857 /nfs/dbraw/zinc/62/78/57/532627857.db2.gz BZSKPMLULRELMJ-LLVKDONJSA-N 1 2 383.283 2.298 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCN(c3ncc(Cl)cc3Cl)CC2)[nH+]cn1 ZINC000298127676 532627869 /nfs/dbraw/zinc/62/78/69/532627869.db2.gz BZSKPMLULRELMJ-LLVKDONJSA-N 1 2 383.283 2.298 20 0 GEADLO COC(=O)c1cc(C[N@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)oc1C ZINC000566846325 532628192 /nfs/dbraw/zinc/62/81/92/532628192.db2.gz LCGYFJHLXYMGKF-UHFFFAOYSA-N 1 2 386.857 2.307 20 0 GEADLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)oc1C ZINC000566846325 532628196 /nfs/dbraw/zinc/62/81/96/532628196.db2.gz LCGYFJHLXYMGKF-UHFFFAOYSA-N 1 2 386.857 2.307 20 0 GEADLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)Nc1ccccc1Br ZINC000566896539 532629603 /nfs/dbraw/zinc/62/96/03/532629603.db2.gz YTHMSHPCQPRWPF-IOASZLSFSA-N 1 2 383.286 2.249 20 0 GEADLO O=C(C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)Nc1ccccc1Br ZINC000566896539 532629607 /nfs/dbraw/zinc/62/96/07/532629607.db2.gz YTHMSHPCQPRWPF-IOASZLSFSA-N 1 2 383.286 2.249 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c2[nH+]ccn21 ZINC000567229571 532646292 /nfs/dbraw/zinc/64/62/92/532646292.db2.gz HOYSXULNTUPVJT-ZJUUUORDSA-N 1 2 388.902 2.041 20 0 GEADLO Cc1c(I)cccc1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000531599773 532635157 /nfs/dbraw/zinc/63/51/57/532635157.db2.gz CMRRVWWFKLEAIZ-NSHDSACASA-N 1 2 388.249 2.050 20 0 GEADLO Cc1c(I)cccc1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000531599773 532635160 /nfs/dbraw/zinc/63/51/60/532635160.db2.gz CMRRVWWFKLEAIZ-NSHDSACASA-N 1 2 388.249 2.050 20 0 GEADLO O=C(Nc1cnn(-c2ccc(Cl)cc2Cl)c1)N1CC[NH+](CCO)CC1 ZINC000474986383 532635395 /nfs/dbraw/zinc/63/53/95/532635395.db2.gz OCMLMZQLOWVOAX-UHFFFAOYSA-N 1 2 384.267 2.321 20 0 GEADLO C[C@@H](O)CCC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000475055671 532636586 /nfs/dbraw/zinc/63/65/86/532636586.db2.gz XAASKUVQWOLQCP-GFCCVEGCSA-N 1 2 381.325 2.461 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@H](O)CC3)[nH+]c12 ZINC000298261631 532638317 /nfs/dbraw/zinc/63/83/17/532638317.db2.gz LMPDOLTZUBEMNA-CQSZACIVSA-N 1 2 381.274 2.462 20 0 GEADLO Cc1ccc(NC(=O)CN2CCC[C@H]([NH+]3CCOCC3)C2)c(Br)c1 ZINC000567059026 532638674 /nfs/dbraw/zinc/63/86/74/532638674.db2.gz LMSILFZFPFUTMH-HNNXBMFYSA-N 1 2 396.329 2.493 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000377049533 532638924 /nfs/dbraw/zinc/63/89/24/532638924.db2.gz APYACYJHXZSBTR-UHFFFAOYSA-N 1 2 380.539 2.273 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000377049533 532638934 /nfs/dbraw/zinc/63/89/34/532638934.db2.gz APYACYJHXZSBTR-UHFFFAOYSA-N 1 2 380.539 2.273 20 0 GEADLO C[C@H](CNC(=O)CCCOc1ccccc1Br)[NH+]1CCN(C)CC1 ZINC000263813118 532641697 /nfs/dbraw/zinc/64/16/97/532641697.db2.gz XCZYWTVDDIVSEU-OAHLLOKOSA-N 1 2 398.345 2.360 20 0 GEADLO Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000567110769 532641820 /nfs/dbraw/zinc/64/18/20/532641820.db2.gz XFYCLFBCIUUOCG-SNVBAGLBSA-N 1 2 383.258 2.281 20 0 GEADLO O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cnc2ccsc2c1 ZINC000531911796 532641977 /nfs/dbraw/zinc/64/19/77/532641977.db2.gz LHGFAEUSRIPAJR-ZBFHGGJFSA-N 1 2 381.523 2.218 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)NCC(C)(C)n2cc[nH+]c2)c1 ZINC000632732777 532642356 /nfs/dbraw/zinc/64/23/56/532642356.db2.gz IYLUHRUCCAJGPS-UHFFFAOYSA-N 1 2 388.287 2.368 20 0 GEADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CC3(Cl)Cl)CC2)C1 ZINC000377126059 532644470 /nfs/dbraw/zinc/64/44/70/532644470.db2.gz FJPDBYJABCRVQO-CHWSQXEVSA-N 1 2 392.327 2.334 20 0 GEADLO C[C@H](O)CNc1cc(N(C)C[C@H](O)c2cccc(Br)c2)nc[nH+]1 ZINC000298565144 532660473 /nfs/dbraw/zinc/66/04/73/532660473.db2.gz JWVUMPUURZKOQO-FZMZJTMJSA-N 1 2 381.274 2.202 20 0 GEADLO C[C@H](O)CNc1cc(N(C)C[C@H](O)c2cccc(Br)c2)[nH+]cn1 ZINC000298565144 532660477 /nfs/dbraw/zinc/66/04/77/532660477.db2.gz JWVUMPUURZKOQO-FZMZJTMJSA-N 1 2 381.274 2.202 20 0 GEADLO CCC(=O)N[C@H](CCSC)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264105800 532661820 /nfs/dbraw/zinc/66/18/20/532661820.db2.gz IHUAUZWESBNCPK-LLVKDONJSA-N 1 2 380.436 2.052 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)[C@H](C)[NH+]1CCOCC1 ZINC000264175535 532665417 /nfs/dbraw/zinc/66/54/17/532665417.db2.gz AKEXTFQFMLETGY-NEPJUHHUSA-N 1 2 399.285 2.059 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000599565403 532666587 /nfs/dbraw/zinc/66/65/87/532666587.db2.gz RSLXDAYOEKOOMO-MRXNPFEDSA-N 1 2 385.251 2.338 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000599565403 532666591 /nfs/dbraw/zinc/66/65/91/532666591.db2.gz RSLXDAYOEKOOMO-MRXNPFEDSA-N 1 2 385.251 2.338 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ncsc2Br)CC1 ZINC000659995218 532667406 /nfs/dbraw/zinc/66/74/06/532667406.db2.gz AFWAYHPCRJHREU-GFCCVEGCSA-N 1 2 387.347 2.034 20 0 GEADLO Cc1c(S(=O)(=O)N2CC[NH2+]C[C@](C)(F)C2)cnn1-c1ccc(Cl)cc1 ZINC000567861681 532667775 /nfs/dbraw/zinc/66/77/75/532667775.db2.gz NQJQNUGUBLBJRY-INIZCTEOSA-N 1 2 386.880 2.156 20 0 GEADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000660001850 532668353 /nfs/dbraw/zinc/66/83/53/532668353.db2.gz GHWUBDBADNCVOW-TUKIKUTGSA-N 1 2 380.293 2.259 20 0 GEADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000660001850 532668361 /nfs/dbraw/zinc/66/83/61/532668361.db2.gz GHWUBDBADNCVOW-TUKIKUTGSA-N 1 2 380.293 2.259 20 0 GEADLO O=S(=O)(c1ccsc1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000285090108 532647285 /nfs/dbraw/zinc/64/72/85/532647285.db2.gz GNLKBBUMJSKDPX-UHFFFAOYSA-N 1 2 381.523 2.056 20 0 GEADLO C[NH+](C)[C@@]1(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CCCSC1 ZINC000377188386 532647298 /nfs/dbraw/zinc/64/72/98/532647298.db2.gz KJYZGXGLESBAAV-INIZCTEOSA-N 1 2 390.958 2.187 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@H]1CCCC[C@@H]1CO ZINC000477953025 532655391 /nfs/dbraw/zinc/65/53/91/532655391.db2.gz AADNLPGDNUIFAE-RISCZKNCSA-N 1 2 381.274 2.447 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)nn2-c2cc[nH+]cc2)s1 ZINC000437322313 532655519 /nfs/dbraw/zinc/65/55/19/532655519.db2.gz KBXRTKOLTDPPLN-UHFFFAOYSA-N 1 2 378.435 2.225 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@H]1CCCC[C@H]1CO ZINC000477953024 532655991 /nfs/dbraw/zinc/65/59/91/532655991.db2.gz AADNLPGDNUIFAE-FZMZJTMJSA-N 1 2 381.274 2.447 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)C[C@H](C)[N@H+]1C ZINC000656997840 532656278 /nfs/dbraw/zinc/65/62/78/532656278.db2.gz YIZWAKZFYHLXNC-PHIMTYICSA-N 1 2 379.295 2.442 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)C[C@H](C)[N@@H+]1C ZINC000656997840 532656291 /nfs/dbraw/zinc/65/62/91/532656291.db2.gz YIZWAKZFYHLXNC-PHIMTYICSA-N 1 2 379.295 2.442 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@H](O)[C@@H]3C)[nH+]c12 ZINC000298525024 532656427 /nfs/dbraw/zinc/65/64/27/532656427.db2.gz XGICBPZCVZXZHH-SMDDNHRTSA-N 1 2 381.274 2.460 20 0 GEADLO Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCC[NH+]2CCC2)cc1 ZINC000532790601 532656983 /nfs/dbraw/zinc/65/69/83/532656983.db2.gz VIOVIQIAXKAQAX-UHFFFAOYSA-N 1 2 379.507 2.293 20 0 GEADLO O=C(CCc1cn[nH]n1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000633011707 532657174 /nfs/dbraw/zinc/65/71/74/532657174.db2.gz ZPNJPOODQMKGEB-UHFFFAOYSA-N 1 2 393.245 2.018 20 0 GEADLO O=C(CCc1c[nH]nn1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000633011707 532657176 /nfs/dbraw/zinc/65/71/76/532657176.db2.gz ZPNJPOODQMKGEB-UHFFFAOYSA-N 1 2 393.245 2.018 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657035479 532658922 /nfs/dbraw/zinc/65/89/22/532658922.db2.gz UQRNMXGTPKYMRT-AWEZNQCLSA-N 1 2 388.555 2.021 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657035479 532658928 /nfs/dbraw/zinc/65/89/28/532658928.db2.gz UQRNMXGTPKYMRT-AWEZNQCLSA-N 1 2 388.555 2.021 20 0 GEADLO Cc1sc2nc([C@H](C)[N@@H+]3CCC[C@H](CS(N)(=O)=O)C3)[nH]c(=O)c2c1C ZINC000264999680 532685990 /nfs/dbraw/zinc/68/59/90/532685990.db2.gz DOJDDGGPHHXKGH-JQWIXIFHSA-N 1 2 384.527 2.075 20 0 GEADLO Cc1sc2nc([C@H](C)[N@H+]3CCC[C@H](CS(N)(=O)=O)C3)[nH]c(=O)c2c1C ZINC000264999680 532685995 /nfs/dbraw/zinc/68/59/95/532685995.db2.gz DOJDDGGPHHXKGH-JQWIXIFHSA-N 1 2 384.527 2.075 20 0 GEADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298737907 532670840 /nfs/dbraw/zinc/67/08/40/532670840.db2.gz JEBMOASJSJAMAH-NEPJUHHUSA-N 1 2 391.896 2.067 20 0 GEADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298737907 532670845 /nfs/dbraw/zinc/67/08/45/532670845.db2.gz JEBMOASJSJAMAH-NEPJUHHUSA-N 1 2 391.896 2.067 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H](S(N)(=O)=O)C3)c2cc1Cl ZINC000377920322 532672441 /nfs/dbraw/zinc/67/24/41/532672441.db2.gz UUEVKNBBMLHICJ-ZDUSSCGKSA-N 1 2 384.885 2.262 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](S(N)(=O)=O)C3)c2cc1Cl ZINC000377920322 532672448 /nfs/dbraw/zinc/67/24/48/532672448.db2.gz UUEVKNBBMLHICJ-ZDUSSCGKSA-N 1 2 384.885 2.262 20 0 GEADLO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C1 ZINC000660027665 532672988 /nfs/dbraw/zinc/67/29/88/532672988.db2.gz NGYCWBRRYFZGBM-SNVBAGLBSA-N 1 2 395.859 2.339 20 0 GEADLO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C1 ZINC000660027665 532672997 /nfs/dbraw/zinc/67/29/97/532672997.db2.gz NGYCWBRRYFZGBM-SNVBAGLBSA-N 1 2 395.859 2.339 20 0 GEADLO Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000568242597 532673924 /nfs/dbraw/zinc/67/39/24/532673924.db2.gz PFJOEAPHYVHAJQ-NSHDSACASA-N 1 2 388.273 2.399 20 0 GEADLO C[C@@H](c1cccc(Br)c1)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000483205511 532674487 /nfs/dbraw/zinc/67/44/87/532674487.db2.gz ZJMQGTZGSKXGJO-ZDUSSCGKSA-N 1 2 377.286 2.426 20 0 GEADLO O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377949852 532674775 /nfs/dbraw/zinc/67/47/75/532674775.db2.gz AGODSVFBGFIWLZ-MRVPVSSYSA-N 1 2 397.660 2.438 20 0 GEADLO O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377949852 532674779 /nfs/dbraw/zinc/67/47/79/532674779.db2.gz AGODSVFBGFIWLZ-MRVPVSSYSA-N 1 2 397.660 2.438 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000483264477 532675429 /nfs/dbraw/zinc/67/54/29/532675429.db2.gz RETOXBFGYFAYNC-BXUZGUMPSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000483264477 532675436 /nfs/dbraw/zinc/67/54/36/532675436.db2.gz RETOXBFGYFAYNC-BXUZGUMPSA-N 1 2 376.266 2.359 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636469100 532675547 /nfs/dbraw/zinc/67/55/47/532675547.db2.gz AKKIBLIRVHQQEY-UHFFFAOYSA-N 1 2 380.246 2.261 20 0 GEADLO Cc1ccc2c(c1Br)CN(C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C2 ZINC000660853900 532676365 /nfs/dbraw/zinc/67/63/65/532676365.db2.gz KCBJYULSWVLYIJ-CQSZACIVSA-N 1 2 395.345 2.419 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000660854828 532676740 /nfs/dbraw/zinc/67/67/40/532676740.db2.gz FBRHXFYTBINUBX-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000660854828 532676745 /nfs/dbraw/zinc/67/67/45/532676745.db2.gz FBRHXFYTBINUBX-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000378040464 532676860 /nfs/dbraw/zinc/67/68/60/532676860.db2.gz FGNCTMUYPFCWHN-GFCCVEGCSA-N 1 2 378.274 2.110 20 0 GEADLO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661112191 532679162 /nfs/dbraw/zinc/67/91/62/532679162.db2.gz IZGJRHLGCPAKBB-JLJPHGGASA-N 1 2 394.313 2.421 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000285442618 532680658 /nfs/dbraw/zinc/68/06/58/532680658.db2.gz XIFQVMKAJJUGLG-CYBMUJFWSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000285442618 532680661 /nfs/dbraw/zinc/68/06/61/532680661.db2.gz XIFQVMKAJJUGLG-CYBMUJFWSA-N 1 2 386.901 2.127 20 0 GEADLO C[N@H+](Cc1cn(C[C@@H]2CCOC2)nn1)[C@H](CO)c1cccc(Br)c1 ZINC000638140601 532681266 /nfs/dbraw/zinc/68/12/66/532681266.db2.gz NQBLTJOXQFIEPO-SUMWQHHRSA-N 1 2 395.301 2.243 20 0 GEADLO C[N@@H+](Cc1cn(C[C@@H]2CCOC2)nn1)[C@H](CO)c1cccc(Br)c1 ZINC000638140601 532681273 /nfs/dbraw/zinc/68/12/73/532681273.db2.gz NQBLTJOXQFIEPO-SUMWQHHRSA-N 1 2 395.301 2.243 20 0 GEADLO NS(=O)(=O)c1cc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)ccc1Cl ZINC000638134140 532681838 /nfs/dbraw/zinc/68/18/38/532681838.db2.gz UGMLTXWIZRPZQF-CYBMUJFWSA-N 1 2 386.823 2.123 20 0 GEADLO NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)c2sccc2Cl)CC1 ZINC000285474154 532682581 /nfs/dbraw/zinc/68/25/81/532682581.db2.gz CFHKLYVQAHLDFK-UHFFFAOYSA-N 1 2 378.885 2.428 20 0 GEADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(I)c(F)c1 ZINC000378198441 532683345 /nfs/dbraw/zinc/68/33/45/532683345.db2.gz GJGLJRLLNXSXJJ-VIFPVBQESA-N 1 2 385.180 2.441 20 0 GEADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(I)c(F)c1 ZINC000378198441 532683351 /nfs/dbraw/zinc/68/33/51/532683351.db2.gz GJGLJRLLNXSXJJ-VIFPVBQESA-N 1 2 385.180 2.441 20 0 GEADLO O=C(C[NH+]1CCC2(CC2)CC1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000378328387 532691297 /nfs/dbraw/zinc/69/12/97/532691297.db2.gz WIZKZUOEVJHBNT-OAHLLOKOSA-N 1 2 382.551 2.140 20 0 GEADLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000639236850 532691645 /nfs/dbraw/zinc/69/16/45/532691645.db2.gz YRSGMOFOZSVBQP-LLVKDONJSA-N 1 2 399.866 2.303 20 0 GEADLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000639236850 532691654 /nfs/dbraw/zinc/69/16/54/532691654.db2.gz YRSGMOFOZSVBQP-LLVKDONJSA-N 1 2 399.866 2.303 20 0 GEADLO CCN1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000487332423 532694530 /nfs/dbraw/zinc/69/45/30/532694530.db2.gz BHPUPWMTMCKYOG-ZDUSSCGKSA-N 1 2 384.889 2.139 20 0 GEADLO CC(C)(C)n1cc(Br)c(C(=O)NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000665338567 532695271 /nfs/dbraw/zinc/69/52/71/532695271.db2.gz JGULBDPIDNLELA-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000285665405 532695979 /nfs/dbraw/zinc/69/59/79/532695979.db2.gz PJZGCIYZQLOTKF-IUODEOHRSA-N 1 2 391.331 2.102 20 0 GEADLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CCS(=O)(=O)N(C)C ZINC000285665405 532695988 /nfs/dbraw/zinc/69/59/88/532695988.db2.gz PJZGCIYZQLOTKF-IUODEOHRSA-N 1 2 391.331 2.102 20 0 GEADLO CN(C[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)s2)C1)S(C)(=O)=O ZINC000285659463 532696422 /nfs/dbraw/zinc/69/64/22/532696422.db2.gz PPVWVCOOYSXQEE-CQSZACIVSA-N 1 2 380.539 2.309 20 0 GEADLO CN(C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1)S(C)(=O)=O ZINC000285659463 532696427 /nfs/dbraw/zinc/69/64/27/532696427.db2.gz PPVWVCOOYSXQEE-CQSZACIVSA-N 1 2 380.539 2.309 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1O ZINC000378499397 532697812 /nfs/dbraw/zinc/69/78/12/532697812.db2.gz QFDACGCPEVKQIT-GFCCVEGCSA-N 1 2 384.274 2.153 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1O ZINC000378499397 532697817 /nfs/dbraw/zinc/69/78/17/532697817.db2.gz QFDACGCPEVKQIT-GFCCVEGCSA-N 1 2 384.274 2.153 20 0 GEADLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccsc2C(=O)OC)c[nH+]1 ZINC000603674010 532698179 /nfs/dbraw/zinc/69/81/79/532698179.db2.gz AETJFURWNMQWEA-UHFFFAOYSA-N 1 2 383.495 2.254 20 0 GEADLO Cc1cc(Br)ccc1C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000536662922 532698197 /nfs/dbraw/zinc/69/81/97/532698197.db2.gz JMPPPMHXCMSQMH-UHFFFAOYSA-N 1 2 377.286 2.173 20 0 GEADLO OC[C@@H]1CC[N@H+](Cc2ccc(I)c(Cl)c2)C[C@H]1O ZINC000569646562 532700343 /nfs/dbraw/zinc/70/03/43/532700343.db2.gz ATKWTEOKIVJOOG-GXFFZTMASA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@@H]1CC[N@@H+](Cc2ccc(I)c(Cl)c2)C[C@H]1O ZINC000569646562 532700347 /nfs/dbraw/zinc/70/03/47/532700347.db2.gz ATKWTEOKIVJOOG-GXFFZTMASA-N 1 2 381.641 2.120 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000285707608 532700970 /nfs/dbraw/zinc/70/09/70/532700970.db2.gz STPFTNZDKZPLRU-IUODEOHRSA-N 1 2 380.432 2.095 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000285707608 532700974 /nfs/dbraw/zinc/70/09/74/532700974.db2.gz STPFTNZDKZPLRU-IUODEOHRSA-N 1 2 380.432 2.095 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000285707603 532701131 /nfs/dbraw/zinc/70/11/31/532701131.db2.gz STPFTNZDKZPLRU-DOMZBBRYSA-N 1 2 380.432 2.095 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000285707603 532701134 /nfs/dbraw/zinc/70/11/34/532701134.db2.gz STPFTNZDKZPLRU-DOMZBBRYSA-N 1 2 380.432 2.095 20 0 GEADLO O=S(=O)(NCC(F)(F)F)NC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000439298812 532688893 /nfs/dbraw/zinc/68/88/93/532688893.db2.gz VWAYCKGCVBOMAS-QPJJXVBHSA-N 1 2 377.432 2.151 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000569137278 532689549 /nfs/dbraw/zinc/68/95/49/532689549.db2.gz FYRFDSHFJKAQJV-NHYWBVRUSA-N 1 2 391.269 2.273 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000569137278 532689554 /nfs/dbraw/zinc/68/95/54/532689554.db2.gz FYRFDSHFJKAQJV-NHYWBVRUSA-N 1 2 391.269 2.273 20 0 GEADLO C[C@H](O)CNc1cc(N(C)C[C@H](O)c2ccccc2Br)nc[nH+]1 ZINC000299009236 532690324 /nfs/dbraw/zinc/69/03/24/532690324.db2.gz SITGPQVZLXKJCW-FZMZJTMJSA-N 1 2 381.274 2.202 20 0 GEADLO C[C@H](O)CNc1cc(N(C)C[C@H](O)c2ccccc2Br)[nH+]cn1 ZINC000299009236 532690327 /nfs/dbraw/zinc/69/03/27/532690327.db2.gz SITGPQVZLXKJCW-FZMZJTMJSA-N 1 2 381.274 2.202 20 0 GEADLO Cc1c(Br)ccnc1NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000569694933 532703239 /nfs/dbraw/zinc/70/32/39/532703239.db2.gz STQXZCUZZPFVND-FZMZJTMJSA-N 1 2 383.290 2.337 20 0 GEADLO O=C(NCc1sccc1Br)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000285759167 532705332 /nfs/dbraw/zinc/70/53/32/532705332.db2.gz DHDPAXQHMIATEG-UHFFFAOYSA-N 1 2 397.298 2.256 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)cs1 ZINC000266203105 532706403 /nfs/dbraw/zinc/70/64/03/532706403.db2.gz LDLQWJJFXISOQP-UHFFFAOYSA-N 1 2 381.479 2.008 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000285792161 532707676 /nfs/dbraw/zinc/70/76/76/532707676.db2.gz UTVFLJJTPMMAIZ-UHFFFAOYSA-N 1 2 377.286 2.464 20 0 GEADLO CCOc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1Br ZINC000572642250 532708836 /nfs/dbraw/zinc/70/88/36/532708836.db2.gz VNPDCYGOANDXDE-NSHDSACASA-N 1 2 399.257 2.075 20 0 GEADLO O=C(CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1)NCC(F)(F)F ZINC000299310922 532709550 /nfs/dbraw/zinc/70/95/50/532709550.db2.gz VWJQNZGKJJISGX-UHFFFAOYSA-N 1 2 379.404 2.097 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)s1 ZINC000299347388 532711677 /nfs/dbraw/zinc/71/16/77/532711677.db2.gz XFKJGBUVDUKSEP-UHFFFAOYSA-N 1 2 384.479 2.376 20 0 GEADLO CC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000299364637 532711753 /nfs/dbraw/zinc/71/17/53/532711753.db2.gz WUKZYCCIXRFVJF-GFCCVEGCSA-N 1 2 386.265 2.375 20 0 GEADLO CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000299364637 532711756 /nfs/dbraw/zinc/71/17/56/532711756.db2.gz WUKZYCCIXRFVJF-GFCCVEGCSA-N 1 2 386.265 2.375 20 0 GEADLO O=C(c1[nH]nc2ccc(I)cc21)N1CC[NH+](C2CC2)CC1 ZINC000408240191 532712910 /nfs/dbraw/zinc/71/29/10/532712910.db2.gz BCTUZCSWRTZXJJ-UHFFFAOYSA-N 1 2 396.232 2.088 20 0 GEADLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1F)CC2 ZINC000644197663 532713784 /nfs/dbraw/zinc/71/37/84/532713784.db2.gz VGLFHKIDHNBELW-UHFFFAOYSA-N 1 2 379.335 2.434 20 0 GEADLO C[C@@H](Cc1cccc(Br)c1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000285933827 532720427 /nfs/dbraw/zinc/72/04/27/532720427.db2.gz MJUTVCLYZDUHOG-HZMBPMFUSA-N 1 2 377.242 2.266 20 0 GEADLO C[C@@H](Cc1cccc(Br)c1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000285933827 532720429 /nfs/dbraw/zinc/72/04/29/532720429.db2.gz MJUTVCLYZDUHOG-HZMBPMFUSA-N 1 2 377.242 2.266 20 0 GEADLO Cc1nc(NC(=O)[C@@H](C)[NH+]2CCSCC2)ccc1I ZINC000410095475 532732644 /nfs/dbraw/zinc/73/26/44/532732644.db2.gz RLQCHLKKRXZOOY-SNVBAGLBSA-N 1 2 391.278 2.370 20 0 GEADLO CC[C@](C)([NH2+]CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)c1nccs1 ZINC000440703850 532722129 /nfs/dbraw/zinc/72/21/29/532722129.db2.gz JLKYDNIBORROSG-YOEHRIQHSA-N 1 2 387.571 2.030 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000409508058 532723324 /nfs/dbraw/zinc/72/33/24/532723324.db2.gz KZSWETZTEGYWOK-NEPJUHHUSA-N 1 2 391.331 2.312 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000409508058 532723331 /nfs/dbraw/zinc/72/33/31/532723331.db2.gz KZSWETZTEGYWOK-NEPJUHHUSA-N 1 2 391.331 2.312 20 0 GEADLO Cc1cc(S(=O)(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)sc1C ZINC000539109040 532724117 /nfs/dbraw/zinc/72/41/17/532724117.db2.gz QGPZLZPCWLSCPY-HNNXBMFYSA-N 1 2 384.523 2.467 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCc1c[nH+]cn1C ZINC000576201648 532725828 /nfs/dbraw/zinc/72/58/28/532725828.db2.gz IPSGYFSCUGATKK-UHFFFAOYSA-N 1 2 394.273 2.319 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000613639934 532732687 /nfs/dbraw/zinc/73/26/87/532732687.db2.gz RRNGCFDAQOQXPD-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000613639934 532732691 /nfs/dbraw/zinc/73/26/91/532732691.db2.gz RRNGCFDAQOQXPD-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO COC(=O)[C@@H](NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1 ZINC000539454786 532730751 /nfs/dbraw/zinc/73/07/51/532730751.db2.gz JQPZUPIACNDSRF-XHSDSOJGSA-N 1 2 383.286 2.116 20 0 GEADLO COC(=O)[C@@H](NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1 ZINC000539454786 532730757 /nfs/dbraw/zinc/73/07/57/532730757.db2.gz JQPZUPIACNDSRF-XHSDSOJGSA-N 1 2 383.286 2.116 20 0 GEADLO COc1cc(C[NH2+]Cc2csc(N(C)C)n2)cc(Cl)c1OCC(N)=O ZINC000673811202 532730889 /nfs/dbraw/zinc/73/08/89/532730889.db2.gz KRWBBXIPLWQZOT-UHFFFAOYSA-N 1 2 384.889 2.025 20 0 GEADLO COCCOc1ccc(CNc2[nH+]cnc3c2c(Br)nn3C)cn1 ZINC000301144772 532742190 /nfs/dbraw/zinc/74/21/90/532742190.db2.gz FQIWWIHTKOTOTA-UHFFFAOYSA-N 1 2 393.245 2.158 20 0 GEADLO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H](O)Cn1cccn1 ZINC000502863942 532742827 /nfs/dbraw/zinc/74/28/27/532742827.db2.gz SFRFEDCSCWCBKI-INIZCTEOSA-N 1 2 385.295 2.189 20 0 GEADLO CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H](O)Cn1cccn1 ZINC000502863942 532742829 /nfs/dbraw/zinc/74/28/29/532742829.db2.gz SFRFEDCSCWCBKI-INIZCTEOSA-N 1 2 385.295 2.189 20 0 GEADLO Cn1nc(Br)c2c1ncnc2NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000301177599 532742932 /nfs/dbraw/zinc/74/29/32/532742932.db2.gz XLTAOZRVNLNYDA-UHFFFAOYSA-N 1 2 385.229 2.319 20 0 GEADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3cncc(Br)c3)CC2)C1 ZINC000301212824 532745145 /nfs/dbraw/zinc/74/51/45/532745145.db2.gz WUVYRQAVNNMYCA-HUUCEWRRSA-N 1 2 395.345 2.471 20 0 GEADLO O=C(C[NH+]1CCN(c2cncc(Br)c2)CC1)NCc1ccccc1 ZINC000301213580 532745340 /nfs/dbraw/zinc/74/53/40/532745340.db2.gz XJOYXMYSKVRQQP-UHFFFAOYSA-N 1 2 389.297 2.283 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2oc3ccc(Cl)cc3c2C)CC1 ZINC000443338418 532745989 /nfs/dbraw/zinc/74/59/89/532745989.db2.gz ZYRIDUBMWGXAAD-CQSZACIVSA-N 1 2 386.901 2.472 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000615090371 532746053 /nfs/dbraw/zinc/74/60/53/532746053.db2.gz QVALWGDMJOSNKI-LBPRGKRZSA-N 1 2 383.286 2.480 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000615090371 532746058 /nfs/dbraw/zinc/74/60/58/532746058.db2.gz QVALWGDMJOSNKI-LBPRGKRZSA-N 1 2 383.286 2.480 20 0 GEADLO Cc1ncsc1CN(C)C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000503334267 532746449 /nfs/dbraw/zinc/74/64/49/532746449.db2.gz AAXKUIXTYOABJE-UHFFFAOYSA-N 1 2 381.523 2.059 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2sccc2Br)C[C@@H]1C ZINC000540877734 532746675 /nfs/dbraw/zinc/74/66/75/532746675.db2.gz GTJDZNISNRSKCL-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2sccc2Br)C[C@@H]1C ZINC000540877734 532746679 /nfs/dbraw/zinc/74/66/79/532746679.db2.gz GTJDZNISNRSKCL-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO CC(C)C[C@H](CNC(=O)c1ncsc1Br)[NH+]1CCOCC1 ZINC000577091667 532733700 /nfs/dbraw/zinc/73/37/00/532733700.db2.gz OOFNLJVVUZCYSS-LLVKDONJSA-N 1 2 376.320 2.382 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000267170613 532736818 /nfs/dbraw/zinc/73/68/18/532736818.db2.gz URZJPACMRZAPQE-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000267170613 532736824 /nfs/dbraw/zinc/73/68/24/532736824.db2.gz URZJPACMRZAPQE-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO O=S(=O)([C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1)N1CCOCC1 ZINC000501132764 532736955 /nfs/dbraw/zinc/73/69/55/532736955.db2.gz HKIGGGATPGFMEO-ZDUSSCGKSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)([C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1)N1CCOCC1 ZINC000501132764 532736958 /nfs/dbraw/zinc/73/69/58/532736958.db2.gz HKIGGGATPGFMEO-ZDUSSCGKSA-N 1 2 376.881 2.106 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cnc3ccsc3c2)CC[N@@H+]1CCOC ZINC000501166709 532737702 /nfs/dbraw/zinc/73/77/02/532737702.db2.gz VFXIWXFVZLKVTK-CQSZACIVSA-N 1 2 383.539 2.418 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cnc3ccsc3c2)CC[N@H+]1CCOC ZINC000501166709 532737709 /nfs/dbraw/zinc/73/77/09/532737709.db2.gz VFXIWXFVZLKVTK-CQSZACIVSA-N 1 2 383.539 2.418 20 0 GEADLO Cc1cnc(N)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000501160589 532738707 /nfs/dbraw/zinc/73/87/07/532738707.db2.gz CIVUKCSCICWSIT-GDBMZVCRSA-N 1 2 380.901 2.349 20 0 GEADLO Cc1cnc(N)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000501160589 532738710 /nfs/dbraw/zinc/73/87/10/532738710.db2.gz CIVUKCSCICWSIT-GDBMZVCRSA-N 1 2 380.901 2.349 20 0 GEADLO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC000443212362 532741712 /nfs/dbraw/zinc/74/17/12/532741712.db2.gz NPRBDXNJRZHCKF-UHFFFAOYSA-N 1 2 381.885 2.080 20 0 GEADLO COc1ccc(S(=O)(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC000443212362 532741720 /nfs/dbraw/zinc/74/17/20/532741720.db2.gz NPRBDXNJRZHCKF-UHFFFAOYSA-N 1 2 381.885 2.080 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2N[C@H]1CCN(c2ncccc2F)C1 ZINC000301569287 532755108 /nfs/dbraw/zinc/75/51/08/532755108.db2.gz NLKWHIKRAQVMQN-VIFPVBQESA-N 1 2 392.236 2.351 20 0 GEADLO Cc1ccn2cc(CNC(=O)Cc3cc[nH]c(=O)c3Br)[nH+]c2c1 ZINC000446110083 532755169 /nfs/dbraw/zinc/75/51/69/532755169.db2.gz XDSKUDPJUMJONB-UHFFFAOYSA-N 1 2 375.226 2.365 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000301650428 532756268 /nfs/dbraw/zinc/75/62/68/532756268.db2.gz GDQNCWHSUOHSDI-NSHDSACASA-N 1 2 393.289 2.329 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)c1ccc(Cl)cc1 ZINC000581507352 532756518 /nfs/dbraw/zinc/75/65/18/532756518.db2.gz TWJPQCQUDVRBOH-JKSUJKDBSA-N 1 2 384.929 2.274 20 0 GEADLO COc1cnc(NC(=O)C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)s1 ZINC000411367519 532758191 /nfs/dbraw/zinc/75/81/91/532758191.db2.gz LQXSLZCBHJLLIS-LLVKDONJSA-N 1 2 380.495 2.057 20 0 GEADLO Cc1cnc(COCC(=O)NCc2cn3cc(Br)ccc3[nH+]2)o1 ZINC000507771292 532759263 /nfs/dbraw/zinc/75/92/63/532759263.db2.gz OKDDDSSYYKXXCO-UHFFFAOYSA-N 1 2 379.214 2.226 20 0 GEADLO Cc1ncc(CS(=O)(=O)Cc2cn3cc(Br)ccc3[nH+]2)cn1 ZINC000507805100 532760588 /nfs/dbraw/zinc/76/05/88/532760588.db2.gz SKEQSXLGSNQPLD-UHFFFAOYSA-N 1 2 381.255 2.310 20 0 GEADLO CCOc1ccncc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000451040456 532761382 /nfs/dbraw/zinc/76/13/82/532761382.db2.gz KFFBMKNYBYRJRV-CYBMUJFWSA-N 1 2 381.523 2.267 20 0 GEADLO CCOc1ccncc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000451040456 532761389 /nfs/dbraw/zinc/76/13/89/532761389.db2.gz KFFBMKNYBYRJRV-CYBMUJFWSA-N 1 2 381.523 2.267 20 0 GEADLO Nc1nc(NCCNS(=O)(=O)c2cccc(Cl)c2)[nH+]c2ccccc12 ZINC000301871051 532762181 /nfs/dbraw/zinc/76/21/81/532762181.db2.gz ISZQWDSVOYMCJI-UHFFFAOYSA-N 1 2 377.857 2.256 20 0 GEADLO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2n[nH]cc2Br)c1 ZINC000541208051 532750260 /nfs/dbraw/zinc/75/02/60/532750260.db2.gz CYRKHMAPISNERL-JTQLQIEISA-N 1 2 395.257 2.466 20 0 GEADLO CCNC(=O)C[NH+]1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1 ZINC000301523158 532753746 /nfs/dbraw/zinc/75/37/46/532753746.db2.gz MCNJVSMFVKNLLV-UHFFFAOYSA-N 1 2 384.267 2.302 20 0 GEADLO COc1nc(NCc2ccc(N3CCOCC3)[nH+]c2)ncc1Br ZINC000267994468 532753989 /nfs/dbraw/zinc/75/39/89/532753989.db2.gz SKXDWTSCSXIPSZ-UHFFFAOYSA-N 1 2 380.246 2.091 20 0 GEADLO Nc1[nH+]cnc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1Cl ZINC000302830326 532775482 /nfs/dbraw/zinc/77/54/82/532775482.db2.gz KIKVOCKJGRZNPQ-UHFFFAOYSA-N 1 2 379.799 2.299 20 0 GEADLO Nc1nc[nH+]c(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1Cl ZINC000302830326 532775486 /nfs/dbraw/zinc/77/54/86/532775486.db2.gz KIKVOCKJGRZNPQ-UHFFFAOYSA-N 1 2 379.799 2.299 20 0 GEADLO Cn1ncc2c1nc(N1CCO[C@H](c3cccc(Br)c3)C1)[nH+]c2N ZINC000302883841 532775530 /nfs/dbraw/zinc/77/55/30/532775530.db2.gz LGKAYBSKSJQQGX-ZDUSSCGKSA-N 1 2 389.257 2.286 20 0 GEADLO CN(CC(=O)Nc1c(Cl)cccc1Cl)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000302822646 532775560 /nfs/dbraw/zinc/77/55/60/532775560.db2.gz FCDWKFZXWXFDRY-UHFFFAOYSA-N 1 2 380.239 2.327 20 0 GEADLO O=C(CN1CC[NH+](CCOCC(F)(F)F)CC1)Nc1ccccc1Cl ZINC000511850739 532775626 /nfs/dbraw/zinc/77/56/26/532775626.db2.gz SYKAQOYCAQAONF-UHFFFAOYSA-N 1 2 379.810 2.475 20 0 GEADLO COC(=O)C1([NH2+]CCC(=O)Nc2cccc(Br)c2)CCOCC1 ZINC000411788549 532776083 /nfs/dbraw/zinc/77/60/83/532776083.db2.gz GLGGPTNCTRSALP-UHFFFAOYSA-N 1 2 385.258 2.090 20 0 GEADLO O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCCC[NH+]1CCOCC1 ZINC000542728342 532777240 /nfs/dbraw/zinc/77/72/40/532777240.db2.gz KTPXKDQDJUZERQ-UHFFFAOYSA-N 1 2 381.889 2.124 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cn2ccc(Br)cc2n1 ZINC000286976823 532777783 /nfs/dbraw/zinc/77/77/83/532777783.db2.gz HDKLRLUDKNDAGP-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cn2ccc(Br)cc2n1 ZINC000286976823 532777788 /nfs/dbraw/zinc/77/77/88/532777788.db2.gz HDKLRLUDKNDAGP-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc(F)c1Br ZINC000411549370 532765954 /nfs/dbraw/zinc/76/59/54/532765954.db2.gz ZXJBEAUEEUOXPS-VIFPVBQESA-N 1 2 395.232 2.232 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc(F)c1Br ZINC000411549370 532765959 /nfs/dbraw/zinc/76/59/59/532765959.db2.gz ZXJBEAUEEUOXPS-VIFPVBQESA-N 1 2 395.232 2.232 20 0 GEADLO O=C(C[NH+]1CCN(c2cnc3cc(Cl)c(Cl)cc3n2)CC1)NC1CC1 ZINC000302098089 532765944 /nfs/dbraw/zinc/76/59/44/532765944.db2.gz OTRQMMNXJWZYGS-UHFFFAOYSA-N 1 2 380.279 2.337 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCc2c(Br)cccc2[C@@H]1C ZINC000509415208 532768524 /nfs/dbraw/zinc/76/85/24/532768524.db2.gz IQFKCIOMMOIWHC-LBPRGKRZSA-N 1 2 383.286 2.390 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CCc2c(Br)cccc2[C@@H]1C ZINC000509415208 532768526 /nfs/dbraw/zinc/76/85/26/532768526.db2.gz IQFKCIOMMOIWHC-LBPRGKRZSA-N 1 2 383.286 2.390 20 0 GEADLO CN1CCN(c2cc(NCc3cccc(Br)c3)[nH+]cn2)CC1=O ZINC000302596204 532771573 /nfs/dbraw/zinc/77/15/73/532771573.db2.gz XJPOJUUPGAJSRL-UHFFFAOYSA-N 1 2 376.258 2.130 20 0 GEADLO CN1CCN(c2cc(NCc3cccc(Br)c3)nc[nH+]2)CC1=O ZINC000302596204 532771576 /nfs/dbraw/zinc/77/15/76/532771576.db2.gz XJPOJUUPGAJSRL-UHFFFAOYSA-N 1 2 376.258 2.130 20 0 GEADLO C[C@H]1CN(c2ccccc2S(=O)(=O)C(F)(F)F)CC[N@@H+]1CC(C)(C)O ZINC000302522008 532771666 /nfs/dbraw/zinc/77/16/66/532771666.db2.gz YDCVPYFRYGNZKD-LBPRGKRZSA-N 1 2 380.432 2.262 20 0 GEADLO C[C@H]1CN(c2ccccc2S(=O)(=O)C(F)(F)F)CC[N@H+]1CC(C)(C)O ZINC000302522008 532771667 /nfs/dbraw/zinc/77/16/67/532771667.db2.gz YDCVPYFRYGNZKD-LBPRGKRZSA-N 1 2 380.432 2.262 20 0 GEADLO CS(=O)(=O)Nc1cc(NC(=O)C2CC[NH+](CC(F)F)CC2)ccc1F ZINC000287113456 532783813 /nfs/dbraw/zinc/78/38/13/532783813.db2.gz NZJDOFDISCBXLH-UHFFFAOYSA-N 1 2 379.404 2.113 20 0 GEADLO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1=O ZINC000287209228 532786300 /nfs/dbraw/zinc/78/63/00/532786300.db2.gz MJSPMXUDAMZSRO-OAHLLOKOSA-N 1 2 392.301 2.480 20 0 GEADLO C[NH+](C)Cc1csc(NC(=O)c2cncc(I)c2)n1 ZINC000457308522 532790160 /nfs/dbraw/zinc/79/01/60/532790160.db2.gz GZWANJVBZRCGAX-UHFFFAOYSA-N 1 2 388.234 2.457 20 0 GEADLO CC[C@@H]1[C@H](CO)CCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000457929383 532791740 /nfs/dbraw/zinc/79/17/40/532791740.db2.gz ADKGGWNWBTTZRM-SMDDNHRTSA-N 1 2 381.274 2.399 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000412433394 532792068 /nfs/dbraw/zinc/79/20/68/532792068.db2.gz CDQDUQVGFCNXTR-UHFFFAOYSA-N 1 2 377.268 2.118 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(Cl)c(Cl)cc2OC)CC1 ZINC000412437703 532792563 /nfs/dbraw/zinc/79/25/63/532792563.db2.gz RFTKYKABYARQED-UHFFFAOYSA-N 1 2 391.295 2.421 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1)Nc1ccccc1Br ZINC000287435323 532795807 /nfs/dbraw/zinc/79/58/07/532795807.db2.gz PTEIZRIASVWFMV-ZDUSSCGKSA-N 1 2 380.286 2.332 20 0 GEADLO O=C(C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1)Nc1ccccc1Br ZINC000287435323 532795810 /nfs/dbraw/zinc/79/58/10/532795810.db2.gz PTEIZRIASVWFMV-ZDUSSCGKSA-N 1 2 380.286 2.332 20 0 GEADLO CCn1nccc1CC[NH+]1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000328716944 532796317 /nfs/dbraw/zinc/79/63/17/532796317.db2.gz UHJAVRBPZGFOAZ-UHFFFAOYSA-N 1 2 382.555 2.130 20 0 GEADLO CCOc1cc(C[NH2+]Cc2nn(C)cc2I)ccc1O ZINC000459573481 532796384 /nfs/dbraw/zinc/79/63/84/532796384.db2.gz QRIAKHHEXKXFEM-UHFFFAOYSA-N 1 2 387.221 2.419 20 0 GEADLO O=C(Nc1nc2c(cccc2Br)s1)N1CC[NH+](CCO)CC1 ZINC000287449591 532796605 /nfs/dbraw/zinc/79/66/05/532796605.db2.gz PVTKCVPAZLJCRZ-UHFFFAOYSA-N 1 2 385.287 2.201 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000455290185 532780309 /nfs/dbraw/zinc/78/03/09/532780309.db2.gz FMAHBCNTDZAWAR-CYBMUJFWSA-N 1 2 385.237 2.337 20 0 GEADLO COC[C@H](C)CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000554901041 532805625 /nfs/dbraw/zinc/80/56/25/532805625.db2.gz OYQJXAJXVWMSSH-UVBJJODRSA-N 1 2 378.897 2.426 20 0 GEADLO COC[C@H](C)CS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000554901041 532805628 /nfs/dbraw/zinc/80/56/28/532805628.db2.gz OYQJXAJXVWMSSH-UVBJJODRSA-N 1 2 378.897 2.426 20 0 GEADLO COC(=O)C1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000271234091 532805692 /nfs/dbraw/zinc/80/56/92/532805692.db2.gz DTSMUVBPJOCEOK-LBPRGKRZSA-N 1 2 399.285 2.084 20 0 GEADLO OCc1cn([C@@H]2CCC[N@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)nn1 ZINC000555591167 532807480 /nfs/dbraw/zinc/80/74/80/532807480.db2.gz QYXPMZSCCOHHJW-CYBMUJFWSA-N 1 2 391.273 2.246 20 0 GEADLO OCc1cn([C@@H]2CCC[N@@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)nn1 ZINC000555591167 532807483 /nfs/dbraw/zinc/80/74/83/532807483.db2.gz QYXPMZSCCOHHJW-CYBMUJFWSA-N 1 2 391.273 2.246 20 0 GEADLO OCc1cn([C@@H]2CCC[N@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)nn1 ZINC000555591167 532807485 /nfs/dbraw/zinc/80/74/85/532807485.db2.gz QYXPMZSCCOHHJW-CYBMUJFWSA-N 1 2 391.273 2.246 20 0 GEADLO OCc1cn([C@@H]2CCC[N@@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)nn1 ZINC000555591167 532807486 /nfs/dbraw/zinc/80/74/86/532807486.db2.gz QYXPMZSCCOHHJW-CYBMUJFWSA-N 1 2 391.273 2.246 20 0 GEADLO C[C@@H](O)[C@@H]1CCN(c2cc(NCCCn3cc(Br)cn3)[nH+]cn2)C1 ZINC000413300043 532809135 /nfs/dbraw/zinc/80/91/35/532809135.db2.gz MRNPGLYEJXABRA-CHWSQXEVSA-N 1 2 395.305 2.145 20 0 GEADLO C[C@@H](O)[C@@H]1CCN(c2cc(NCCCn3cc(Br)cn3)nc[nH+]2)C1 ZINC000413300043 532809139 /nfs/dbraw/zinc/80/91/39/532809139.db2.gz MRNPGLYEJXABRA-CHWSQXEVSA-N 1 2 395.305 2.145 20 0 GEADLO O=S(=O)(NCCNc1cc(NC2CC2)nc[nH+]1)c1ccc(F)cc1Cl ZINC000413281738 532809373 /nfs/dbraw/zinc/80/93/73/532809373.db2.gz LCBDGQJLXZZDSU-UHFFFAOYSA-N 1 2 385.852 2.234 20 0 GEADLO O=S(=O)(NCCNc1cc(NC2CC2)[nH+]cn1)c1ccc(F)cc1Cl ZINC000413281738 532809375 /nfs/dbraw/zinc/80/93/75/532809375.db2.gz LCBDGQJLXZZDSU-UHFFFAOYSA-N 1 2 385.852 2.234 20 0 GEADLO COc1ccc(Br)c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000287496324 532797880 /nfs/dbraw/zinc/79/78/80/532797880.db2.gz UKZDJVMCZARRFH-STQMWFEESA-N 1 2 383.286 2.393 20 0 GEADLO O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(Cl)ccc1F ZINC000556371537 532811073 /nfs/dbraw/zinc/81/10/73/532811073.db2.gz JHZNCMNDNPABDL-CABCVRRESA-N 1 2 376.881 2.401 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000461037246 532799753 /nfs/dbraw/zinc/79/97/53/532799753.db2.gz HVQXFCGIEBHWPH-CYBMUJFWSA-N 1 2 393.285 2.284 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cc3cccc(I)c3)CC2)cn1 ZINC000551552702 532799837 /nfs/dbraw/zinc/79/98/37/532799837.db2.gz PETMSVQOMOMORF-UHFFFAOYSA-N 1 2 396.276 2.343 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](Cc3nnc(-c4ccccc4Br)o3)C[C@H]12 ZINC000328927341 532800529 /nfs/dbraw/zinc/80/05/29/532800529.db2.gz WZXJFNHIYDYGSX-LLVKDONJSA-N 1 2 392.213 2.075 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](Cc3nnc(-c4ccccc4Br)o3)C[C@H]12 ZINC000328927341 532800531 /nfs/dbraw/zinc/80/05/31/532800531.db2.gz WZXJFNHIYDYGSX-LLVKDONJSA-N 1 2 392.213 2.075 20 0 GEADLO O=S(=O)(CCC1CC1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000329146836 532803201 /nfs/dbraw/zinc/80/32/01/532803201.db2.gz ARTANRQYQGIYHH-UHFFFAOYSA-N 1 2 382.917 2.235 20 0 GEADLO CSc1cc(Br)ccc1C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000271196769 532804525 /nfs/dbraw/zinc/80/45/25/532804525.db2.gz ODCXJYMEXLWAMW-GFCCVEGCSA-N 1 2 379.345 2.295 20 0 GEADLO CSc1cc(Br)ccc1C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000271196769 532804527 /nfs/dbraw/zinc/80/45/27/532804527.db2.gz ODCXJYMEXLWAMW-GFCCVEGCSA-N 1 2 379.345 2.295 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C[C@H]21 ZINC000329925477 532812942 /nfs/dbraw/zinc/81/29/42/532812942.db2.gz JWHAZFHXGHJASM-UMVBOHGHSA-N 1 2 381.885 2.334 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C[C@H]21 ZINC000329925477 532812944 /nfs/dbraw/zinc/81/29/44/532812944.db2.gz JWHAZFHXGHJASM-UMVBOHGHSA-N 1 2 381.885 2.334 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000287901670 532813016 /nfs/dbraw/zinc/81/30/16/532813016.db2.gz RALIGLXTOKDFIM-MRXNPFEDSA-N 1 2 397.317 2.269 20 0 GEADLO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000413659057 532813287 /nfs/dbraw/zinc/81/32/87/532813287.db2.gz SHJFAOMKLLDPDS-UHFFFAOYSA-N 1 2 382.873 2.056 20 0 GEADLO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)cc1F ZINC000271802025 532811818 /nfs/dbraw/zinc/81/18/18/532811818.db2.gz AZLFWLSRPWPLEJ-UHFFFAOYSA-N 1 2 387.458 2.482 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413967052 532816218 /nfs/dbraw/zinc/81/62/18/532816218.db2.gz NZWAPSTZUKDSEV-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3c(Cl)cnn3C)CC2)s1 ZINC000330260647 532816358 /nfs/dbraw/zinc/81/63/58/532816358.db2.gz SVBCQAOEPYBLSN-UHFFFAOYSA-N 1 2 388.946 2.204 20 0 GEADLO C[C@H](CNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)CC(F)(F)F ZINC000413971951 532816444 /nfs/dbraw/zinc/81/64/44/532816444.db2.gz BWUPUVATCYVAMH-LBPRGKRZSA-N 1 2 380.432 2.340 20 0 GEADLO C[C@@H](CNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)CC(F)(F)F ZINC000413971949 532816535 /nfs/dbraw/zinc/81/65/35/532816535.db2.gz BWUPUVATCYVAMH-GFCCVEGCSA-N 1 2 380.432 2.340 20 0 GEADLO O=S(=O)(c1c(F)cccc1OC(F)(F)F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000288126283 532818334 /nfs/dbraw/zinc/81/83/34/532818334.db2.gz MLMHKGQVMPSXTE-NSHDSACASA-N 1 2 380.363 2.359 20 0 GEADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)s1 ZINC000414057469 532818240 /nfs/dbraw/zinc/81/82/40/532818240.db2.gz FWUQHOUXRDAVNJ-NSHDSACASA-N 1 2 383.495 2.031 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C[C@H]1C ZINC000330557565 532821529 /nfs/dbraw/zinc/82/15/29/532821529.db2.gz GBHJHPSQWGBDFE-VXGBXAGGSA-N 1 2 389.905 2.357 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C[C@H]1C ZINC000330557565 532821531 /nfs/dbraw/zinc/82/15/31/532821531.db2.gz GBHJHPSQWGBDFE-VXGBXAGGSA-N 1 2 389.905 2.357 20 0 GEADLO COC(=O)C[C@H](C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273272940 532822055 /nfs/dbraw/zinc/82/20/55/532822055.db2.gz JTPDXHTVCGIHAG-NSHDSACASA-N 1 2 382.258 2.263 20 0 GEADLO CCCNC(=O)CN(C)C(=O)C[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000273321723 532822693 /nfs/dbraw/zinc/82/26/93/532822693.db2.gz RXOZBJRIHCIYDC-SNVBAGLBSA-N 1 2 380.436 2.187 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)c3nc[nH]n3)[nH+]c12 ZINC000273415596 532823224 /nfs/dbraw/zinc/82/32/24/532823224.db2.gz FHAYWDQGZDAOCF-JTQLQIEISA-N 1 2 392.261 2.126 20 0 GEADLO CC(C)(O)CC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000330906129 532829974 /nfs/dbraw/zinc/82/99/74/532829974.db2.gz VIMZZHYRGQWWNB-UHFFFAOYSA-N 1 2 381.325 2.461 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000414469380 532830252 /nfs/dbraw/zinc/83/02/52/532830252.db2.gz LXMMQDDUSIENCZ-JTQLQIEISA-N 1 2 388.852 2.249 20 0 GEADLO Cn1nncc1CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000288531071 532830282 /nfs/dbraw/zinc/83/02/82/532830282.db2.gz GWNLAXVJWUBLKR-OAHLLOKOSA-N 1 2 378.274 2.031 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1O ZINC000273685891 532830757 /nfs/dbraw/zinc/83/07/57/532830757.db2.gz ALBJIAYSGPBORQ-LBPRGKRZSA-N 1 2 384.274 2.199 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1O ZINC000273685891 532830758 /nfs/dbraw/zinc/83/07/58/532830758.db2.gz ALBJIAYSGPBORQ-LBPRGKRZSA-N 1 2 384.274 2.199 20 0 GEADLO COC(C[N@H+](CCCO)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)OC ZINC000273637805 532829205 /nfs/dbraw/zinc/82/92/05/532829205.db2.gz UCKOPFHYIWFGOU-LBPRGKRZSA-N 1 2 393.311 2.474 20 0 GEADLO COC(C[N@@H+](CCCO)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)OC ZINC000273637805 532829206 /nfs/dbraw/zinc/82/92/06/532829206.db2.gz UCKOPFHYIWFGOU-LBPRGKRZSA-N 1 2 393.311 2.474 20 0 GEADLO Fc1cnc(N2CCN(Cc3c[nH+]c4ccc(Br)cn34)CC2)nc1 ZINC000273780925 532834291 /nfs/dbraw/zinc/83/42/91/532834291.db2.gz SRRSRPKKMXQOFL-UHFFFAOYSA-N 1 2 391.248 2.348 20 0 GEADLO COc1ccc(OCc2nc(C[NH2+][C@@H]3CS(=O)(=O)C[C@@H]3C)cs2)cc1 ZINC000288603558 532833303 /nfs/dbraw/zinc/83/33/03/532833303.db2.gz PTOCXLMEEIZLNT-BLLLJJGKSA-N 1 2 382.507 2.253 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)NCCS(=O)(=O)C(C)C)c1ccsc1 ZINC000288701829 532835785 /nfs/dbraw/zinc/83/57/85/532835785.db2.gz UPWHBSIRBFNDLU-OAHLLOKOSA-N 1 2 375.560 2.253 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCCCn3cccn3)[nH+]c12 ZINC000273924644 532837250 /nfs/dbraw/zinc/83/72/50/532837250.db2.gz IZBBXRTXKHLNNN-UHFFFAOYSA-N 1 2 391.273 2.491 20 0 GEADLO CS[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C[C@H]1[NH+](C)C ZINC000331320691 532837881 /nfs/dbraw/zinc/83/78/81/532837881.db2.gz KPZFUEGJRMKEKT-PWSUYJOCSA-N 1 2 384.445 2.077 20 0 GEADLO Cc1ccn2cc(CNC(=O)N(C)CCn3cc(Br)cn3)[nH+]c2c1 ZINC000288786726 532838038 /nfs/dbraw/zinc/83/80/38/532838038.db2.gz HMUSDRUVVDMXAZ-UHFFFAOYSA-N 1 2 391.273 2.443 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](S(C)(=O)=O)C1)c1ccsc1 ZINC000274009061 532839232 /nfs/dbraw/zinc/83/92/32/532839232.db2.gz GKRKQNPRXBVAIG-HZPDHXFCSA-N 1 2 387.571 2.350 20 0 GEADLO O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000007308952 204238386 /nfs/dbraw/zinc/23/83/86/204238386.db2.gz HZQAIMQUNQSXJV-UHFFFAOYSA-N 1 2 381.404 2.040 20 0 GEADLO CCCNC(=O)CCC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274080634 532841005 /nfs/dbraw/zinc/84/10/05/532841005.db2.gz WZXZOPBFBWKUFC-UHFFFAOYSA-N 1 2 381.274 2.328 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)sc2C1 ZINC000053760154 205138588 /nfs/dbraw/zinc/13/85/88/205138588.db2.gz IFVIZYFIJMJMKJ-JTQLQIEISA-N 1 2 392.431 2.401 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)sc2C1 ZINC000053760154 205138593 /nfs/dbraw/zinc/13/85/93/205138593.db2.gz IFVIZYFIJMJMKJ-JTQLQIEISA-N 1 2 392.431 2.401 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000288933852 532842454 /nfs/dbraw/zinc/84/24/54/532842454.db2.gz YVBBWGAYXXZQNU-GFCCVEGCSA-N 1 2 381.278 2.348 20 0 GEADLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000331703138 532842735 /nfs/dbraw/zinc/84/27/35/532842735.db2.gz GJGGUSQELFBWDC-ZDUSSCGKSA-N 1 2 380.286 2.228 20 0 GEADLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000331703138 532842737 /nfs/dbraw/zinc/84/27/37/532842737.db2.gz GJGGUSQELFBWDC-ZDUSSCGKSA-N 1 2 380.286 2.228 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)Oc1ccc(F)c(Br)c1 ZINC000274184079 532843437 /nfs/dbraw/zinc/84/34/37/532843437.db2.gz COEVZXTVGYFSMG-UHFFFAOYSA-N 1 2 382.251 2.019 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000331707713 532843517 /nfs/dbraw/zinc/84/35/17/532843517.db2.gz IWCZIODMQLDWBN-UHFFFAOYSA-N 1 2 395.301 2.246 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000331707713 532843513 /nfs/dbraw/zinc/84/35/13/532843513.db2.gz IWCZIODMQLDWBN-UHFFFAOYSA-N 1 2 395.301 2.246 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000331957562 532846989 /nfs/dbraw/zinc/84/69/89/532846989.db2.gz AKUAHYBSTMOTTQ-LBPRGKRZSA-N 1 2 381.270 2.062 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H](O)C(F)(F)F)[nH+]c12 ZINC000274258904 532846466 /nfs/dbraw/zinc/84/64/66/532846466.db2.gz UWBBMSUSWYEVEV-SNVBAGLBSA-N 1 2 395.179 2.128 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000331957562 532846986 /nfs/dbraw/zinc/84/69/86/532846986.db2.gz AKUAHYBSTMOTTQ-LBPRGKRZSA-N 1 2 381.270 2.062 20 0 GEADLO C[C@H](CNC(=O)C1=Cc2cc(Br)ccc2OC1)[NH+]1CCOCC1 ZINC000331961640 532847126 /nfs/dbraw/zinc/84/71/26/532847126.db2.gz BANMCXCYANCYAE-GFCCVEGCSA-N 1 2 381.270 2.062 20 0 GEADLO C[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000332177684 532849314 /nfs/dbraw/zinc/84/93/14/532849314.db2.gz MMPCOLLEPOEKIG-IAQYHMDHSA-N 1 2 391.320 2.465 20 0 GEADLO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000332177684 532849317 /nfs/dbraw/zinc/84/93/17/532849317.db2.gz MMPCOLLEPOEKIG-IAQYHMDHSA-N 1 2 391.320 2.465 20 0 GEADLO O=C(CCn1cc(Br)ccc1=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332180028 532849278 /nfs/dbraw/zinc/84/92/78/532849278.db2.gz NDWDNLGIAXSNLN-GFCCVEGCSA-N 1 2 379.258 2.130 20 0 GEADLO C[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000332177681 532849371 /nfs/dbraw/zinc/84/93/71/532849371.db2.gz MMPCOLLEPOEKIG-ABAIWWIYSA-N 1 2 391.320 2.465 20 0 GEADLO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000332177681 532849373 /nfs/dbraw/zinc/84/93/73/532849373.db2.gz MMPCOLLEPOEKIG-ABAIWWIYSA-N 1 2 391.320 2.465 20 0 GEADLO CCS(=O)(=O)C1CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000332356979 532852652 /nfs/dbraw/zinc/85/26/52/532852652.db2.gz PXAFZPNREGKSRM-UHFFFAOYSA-N 1 2 384.889 2.096 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CC[NH+](CCOC(C)C)CC3)cc2s1 ZINC000332604981 532858105 /nfs/dbraw/zinc/85/81/05/532858105.db2.gz JDFBFBCTYGLQJK-UHFFFAOYSA-N 1 2 383.539 2.336 20 0 GEADLO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCc3n[nH]nc3C2)cc1Br ZINC000332683247 532860420 /nfs/dbraw/zinc/86/04/20/532860420.db2.gz UZIYPDNSJDPGLF-JTQLQIEISA-N 1 2 378.274 2.372 20 0 GEADLO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCc3[nH]nnc3C2)cc1Br ZINC000332683247 532860422 /nfs/dbraw/zinc/86/04/22/532860422.db2.gz UZIYPDNSJDPGLF-JTQLQIEISA-N 1 2 378.274 2.372 20 0 GEADLO C[C@@](O)(C[NH2+]Cc1cn(-c2ccccc2Br)nn1)C(F)(F)F ZINC000289622585 532861006 /nfs/dbraw/zinc/86/10/06/532861006.db2.gz WJIRQPYIRKJPNB-GFCCVEGCSA-N 1 2 379.180 2.433 20 0 GEADLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ncc(C3OCCO3)s2)cc1 ZINC000289668484 532862662 /nfs/dbraw/zinc/86/26/62/532862662.db2.gz MGAKSSGDECZKIK-CYBMUJFWSA-N 1 2 382.507 2.449 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCSC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000333032612 532862956 /nfs/dbraw/zinc/86/29/56/532862956.db2.gz MOVGDGVLXFXUFL-LSDHHAIUSA-N 1 2 376.588 2.018 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCSC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000333032612 532862958 /nfs/dbraw/zinc/86/29/58/532862958.db2.gz MOVGDGVLXFXUFL-LSDHHAIUSA-N 1 2 376.588 2.018 20 0 GEADLO CC(=O)N1CC[NH+](CCNc2nnc(Cc3ccc(Cl)cc3)s2)CC1 ZINC000275078595 532863877 /nfs/dbraw/zinc/86/38/77/532863877.db2.gz XHGWBZDMMFVPLX-UHFFFAOYSA-N 1 2 379.917 2.358 20 0 GEADLO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(F)cc(Br)c1O ZINC000416148888 532865201 /nfs/dbraw/zinc/86/52/01/532865201.db2.gz FOTGVAGYHUZFMP-LBPRGKRZSA-N 1 2 389.265 2.477 20 0 GEADLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000333160711 532865565 /nfs/dbraw/zinc/86/55/65/532865565.db2.gz NNIZZRZDJXXTNW-OLZOCXBDSA-N 1 2 382.511 2.359 20 0 GEADLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000333160711 532865567 /nfs/dbraw/zinc/86/55/67/532865567.db2.gz NNIZZRZDJXXTNW-OLZOCXBDSA-N 1 2 382.511 2.359 20 0 GEADLO C[C@]1(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCCOC1 ZINC000333292478 532866703 /nfs/dbraw/zinc/86/67/03/532866703.db2.gz BCJNYLADDVWKOR-INIZCTEOSA-N 1 2 384.274 2.436 20 0 GEADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000333276401 532866538 /nfs/dbraw/zinc/86/65/38/532866538.db2.gz IBBRLTBVKMPVAZ-LBPRGKRZSA-N 1 2 378.274 2.268 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(F)cc(Br)c1O ZINC000416243704 532868174 /nfs/dbraw/zinc/86/81/74/532868174.db2.gz BQEXATXEQNXMDC-UHFFFAOYSA-N 1 2 375.238 2.134 20 0 GEADLO Cc1nc2cc(Br)cc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2o1 ZINC000333467765 532868849 /nfs/dbraw/zinc/86/88/49/532868849.db2.gz FKUFDRINFWLSIO-KGLIPLIRSA-N 1 2 395.257 2.445 20 0 GEADLO Cc1nc2cc(Br)cc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2o1 ZINC000333467765 532868853 /nfs/dbraw/zinc/86/88/53/532868853.db2.gz FKUFDRINFWLSIO-KGLIPLIRSA-N 1 2 395.257 2.445 20 0 GEADLO C[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333520827 532869904 /nfs/dbraw/zinc/86/99/04/532869904.db2.gz NWMFIYIXCMDQPF-RYUDHWBXSA-N 1 2 384.274 2.434 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000289974001 532869767 /nfs/dbraw/zinc/86/97/67/532869767.db2.gz FYCRBLDIBSGQMV-IAQYHMDHSA-N 1 2 386.279 2.254 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3noc4ccc(Br)cc43)C[C@@H]21 ZINC000333571658 532871241 /nfs/dbraw/zinc/87/12/41/532871241.db2.gz MNJUYLTZORPDTJ-HOCLYGCPSA-N 1 2 394.269 2.064 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3noc4ccc(Br)cc43)C[C@@H]21 ZINC000333571658 532871243 /nfs/dbraw/zinc/87/12/43/532871243.db2.gz MNJUYLTZORPDTJ-HOCLYGCPSA-N 1 2 394.269 2.064 20 0 GEADLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000290054109 532871324 /nfs/dbraw/zinc/87/13/24/532871324.db2.gz OWHKRIXDXKBXBV-UHFFFAOYSA-N 1 2 381.441 2.214 20 0 GEADLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000290054109 532871326 /nfs/dbraw/zinc/87/13/26/532871326.db2.gz OWHKRIXDXKBXBV-UHFFFAOYSA-N 1 2 381.441 2.214 20 0 GEADLO COc1cc(OC)c(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)cc1Cl ZINC000416377144 532873752 /nfs/dbraw/zinc/87/37/52/532873752.db2.gz WPCFHEGKFPVXLC-UHFFFAOYSA-N 1 2 376.906 2.320 20 0 GEADLO Cn1c2cc(Cl)ccc2nc1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000333940760 532875893 /nfs/dbraw/zinc/87/58/93/532875893.db2.gz OHVYTLKKZBRHHB-UHFFFAOYSA-N 1 2 382.917 2.227 20 0 GEADLO C[C@H](NC(=O)c1cc(Cl)ncc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000290246824 532876446 /nfs/dbraw/zinc/87/64/46/532876446.db2.gz MRFMZOPWUPJTCE-UWVGGRQHSA-N 1 2 376.682 2.337 20 0 GEADLO CC(C)S(=O)(=O)CC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000290273787 532876935 /nfs/dbraw/zinc/87/69/35/532876935.db2.gz YFVAGHQOMVLYCG-UHFFFAOYSA-N 1 2 377.297 2.487 20 0 GEADLO CCc1cc(Br)ccc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290309458 532877544 /nfs/dbraw/zinc/87/75/44/532877544.db2.gz JLQMVPBXPAISQH-UHFFFAOYSA-N 1 2 377.242 2.189 20 0 GEADLO Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000334049473 532878224 /nfs/dbraw/zinc/87/82/24/532878224.db2.gz RFQXNXIVRSJYED-UHFFFAOYSA-N 1 2 382.917 2.227 20 0 GEADLO C[C@H]1CCN(C(=O)NCc2nn(C)cc2Br)C[C@H]1n1cc[nH+]c1 ZINC000334073328 532878298 /nfs/dbraw/zinc/87/82/98/532878298.db2.gz IPBNAPIGZWMCOO-SMDDNHRTSA-N 1 2 381.278 2.172 20 0 GEADLO C[C@@H](NC(=O)C(=O)NCCc1cn(C)c[nH+]1)c1cc(F)c(Cl)cc1Cl ZINC000420851029 532886627 /nfs/dbraw/zinc/88/66/27/532886627.db2.gz VWXZBFSECKBYFW-SECBINFHSA-N 1 2 387.242 2.402 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)n1 ZINC000420950621 532887672 /nfs/dbraw/zinc/88/76/72/532887672.db2.gz PUTRJEJMOFMOAL-JTQLQIEISA-N 1 2 379.404 2.462 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)n1 ZINC000420950621 532887674 /nfs/dbraw/zinc/88/76/74/532887674.db2.gz PUTRJEJMOFMOAL-JTQLQIEISA-N 1 2 379.404 2.462 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000276034706 532887751 /nfs/dbraw/zinc/88/77/51/532887751.db2.gz MLMVCYJEFYYRSE-GFCCVEGCSA-N 1 2 388.536 2.486 20 0 GEADLO CSc1nnc(C[NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)s1 ZINC000275871802 532885058 /nfs/dbraw/zinc/88/50/58/532885058.db2.gz YZRCFVYMHCZSLS-JTQLQIEISA-N 1 2 376.429 2.465 20 0 GEADLO CNS(=O)(=O)C1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000360096914 532889601 /nfs/dbraw/zinc/88/96/01/532889601.db2.gz VEZRNHREDZENIN-CYBMUJFWSA-N 1 2 387.933 2.297 20 0 GEADLO C[C@@H](c1nnnn1C)[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000276287043 532892853 /nfs/dbraw/zinc/89/28/53/532892853.db2.gz VDNLYKXASACQDU-NSHDSACASA-N 1 2 393.289 2.384 20 0 GEADLO O=C1C[N@H+](Cc2cccc(NCc3cncc(Br)c3)c2)CCN1 ZINC000291068464 532895803 /nfs/dbraw/zinc/89/58/03/532895803.db2.gz LFVTUNMTOURPMU-UHFFFAOYSA-N 1 2 375.270 2.388 20 0 GEADLO O=C1C[N@@H+](Cc2cccc(NCc3cncc(Br)c3)c2)CCN1 ZINC000291068464 532895805 /nfs/dbraw/zinc/89/58/05/532895805.db2.gz LFVTUNMTOURPMU-UHFFFAOYSA-N 1 2 375.270 2.388 20 0 GEADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000363223604 532897656 /nfs/dbraw/zinc/89/76/56/532897656.db2.gz FLEYITXPGLRJHZ-CYBMUJFWSA-N 1 2 381.479 2.334 20 0 GEADLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(Br)cn1 ZINC000291281935 532899544 /nfs/dbraw/zinc/89/95/44/532899544.db2.gz AVUXGHXRZXZXCQ-ZFWWWQNUSA-N 1 2 397.317 2.411 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000291225053 532898464 /nfs/dbraw/zinc/89/84/64/532898464.db2.gz NEVFRPNIYOGTBR-INIZCTEOSA-N 1 2 383.279 2.417 20 0 GEADLO CC(C)[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1Cl)c1[nH]cc[nH+]1 ZINC000276621536 532898633 /nfs/dbraw/zinc/89/86/33/532898633.db2.gz ODGDFRRFLQPNNC-OAHLLOKOSA-N 1 2 384.889 2.245 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363928515 532902167 /nfs/dbraw/zinc/90/21/67/532902167.db2.gz CCUJOEMLSDNVEU-UKRRQHHQSA-N 1 2 383.286 2.150 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)COc1cccc(Br)c1 ZINC000291473921 532902572 /nfs/dbraw/zinc/90/25/72/532902572.db2.gz PLJKYBWIQNHVIF-CZUORRHYSA-N 1 2 383.286 2.150 20 0 GEADLO CCc1n[nH]c(C(=O)NCc2cccnc2-n2cc[nH+]c2)c1Br ZINC000363743877 532900605 /nfs/dbraw/zinc/90/06/05/532900605.db2.gz CZYAVVYPBWJKFT-UHFFFAOYSA-N 1 2 375.230 2.245 20 0 GEADLO NC(=O)C1([NH+]2CCN(Cc3ncc(C(F)(F)F)s3)CC2)CCCCC1 ZINC000363769198 532900929 /nfs/dbraw/zinc/90/09/29/532900929.db2.gz XRAXSZFUMMRUFG-UHFFFAOYSA-N 1 2 376.448 2.468 20 0 GEADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000363770826 532901160 /nfs/dbraw/zinc/90/11/60/532901160.db2.gz UWZWJRQOAOZGSO-GFCCVEGCSA-N 1 2 380.279 2.496 20 0 GEADLO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)N1CCn2c[nH+]cc2C1 ZINC000291529789 532903399 /nfs/dbraw/zinc/90/33/99/532903399.db2.gz LDBNOTODHOWRHN-AWEZNQCLSA-N 1 2 390.285 2.450 20 0 GEADLO O=C1N[C@]2(CCSC2)C(=O)N1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000364116502 532903952 /nfs/dbraw/zinc/90/39/52/532903952.db2.gz YOHXJRGVMRGBKR-AWEZNQCLSA-N 1 2 381.255 2.024 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCn3cc(C)[nH+]c3C2)cc1Br ZINC000364682218 532907905 /nfs/dbraw/zinc/90/79/05/532907905.db2.gz NZYPVIYHJOOCGH-UHFFFAOYSA-N 1 2 386.271 2.167 20 0 GEADLO NC(=O)c1noc([C@@H]2CCC[N@@H+]2CCOc2cc(F)cc(Br)c2)n1 ZINC000364606916 532907211 /nfs/dbraw/zinc/90/72/11/532907211.db2.gz KYJXJSHSCDTBCQ-LBPRGKRZSA-N 1 2 399.220 2.286 20 0 GEADLO NC(=O)c1noc([C@@H]2CCC[N@H+]2CCOc2cc(F)cc(Br)c2)n1 ZINC000364606916 532907213 /nfs/dbraw/zinc/90/72/13/532907213.db2.gz KYJXJSHSCDTBCQ-LBPRGKRZSA-N 1 2 399.220 2.286 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](CS(C)(=O)=O)C1)c1ccsc1 ZINC000291699037 532907541 /nfs/dbraw/zinc/90/75/41/532907541.db2.gz UCIJKDKNSBDVGQ-GDBMZVCRSA-N 1 2 387.571 2.207 20 0 GEADLO O=C(C[N@@H+]1CCCN(c2ncccn2)CC1)Nc1ccc(Br)cc1 ZINC000365300191 532909534 /nfs/dbraw/zinc/90/95/34/532909534.db2.gz MIBBHWBJWOJXKB-UHFFFAOYSA-N 1 2 390.285 2.390 20 0 GEADLO O=C(C[N@H+]1CCCN(c2ncccn2)CC1)Nc1ccc(Br)cc1 ZINC000365300191 532909536 /nfs/dbraw/zinc/90/95/36/532909536.db2.gz MIBBHWBJWOJXKB-UHFFFAOYSA-N 1 2 390.285 2.390 20 0 GEADLO Cc1c(S(=O)(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cnn1C ZINC000291894920 532910435 /nfs/dbraw/zinc/91/04/35/532910435.db2.gz PJSFBZKIJMDZAM-UHFFFAOYSA-N 1 2 380.539 2.387 20 0 GEADLO CON(C)C(=O)C1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000292033122 532912273 /nfs/dbraw/zinc/91/22/73/532912273.db2.gz ZAYUJFKZXPIDTJ-UHFFFAOYSA-N 1 2 399.245 2.324 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CC[NH+]([C@@H]4CCSC4)CC3)cc2s1 ZINC000366173486 532914979 /nfs/dbraw/zinc/91/49/79/532914979.db2.gz UMXDDXXPWSWYCZ-CYBMUJFWSA-N 1 2 383.564 2.417 20 0 GEADLO Cc1nn(C)c(C[NH+]2CCC(c3ccnn3CCO)CC2)c1Br ZINC000366172318 532915001 /nfs/dbraw/zinc/91/50/01/532915001.db2.gz QTOFLTXMCVTPAL-UHFFFAOYSA-N 1 2 382.306 2.059 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CCCC[C@H]1CCS(C)(=O)=O)c1cccs1 ZINC000366182288 532915329 /nfs/dbraw/zinc/91/53/29/532915329.db2.gz XGRXYXHMICWDGQ-LSDHHAIUSA-N 1 2 387.571 2.350 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)Nc1cccc(Br)c1 ZINC000366273206 532915679 /nfs/dbraw/zinc/91/56/79/532915679.db2.gz PGOYZZRAMORJOY-KRWDZBQOSA-N 1 2 398.301 2.452 20 0 GEADLO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)N1CCn2c[nH+]cc2C1 ZINC000292113299 532913112 /nfs/dbraw/zinc/91/31/12/532913112.db2.gz QPGCXFJAFBWQFZ-OWOJBTEDSA-N 1 2 390.237 2.472 20 0 GEADLO CC1(C)C[N@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@@H](C(F)(F)F)O1 ZINC000292119620 532913534 /nfs/dbraw/zinc/91/35/34/532913534.db2.gz GMDNLJASFCZPRI-JTQLQIEISA-N 1 2 379.404 2.217 20 0 GEADLO CC1(C)C[N@@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@@H](C(F)(F)F)O1 ZINC000292119620 532913535 /nfs/dbraw/zinc/91/35/35/532913535.db2.gz GMDNLJASFCZPRI-JTQLQIEISA-N 1 2 379.404 2.217 20 0 GEADLO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366460390 532917589 /nfs/dbraw/zinc/91/75/89/532917589.db2.gz YSEGRGCYQXOPCQ-LLVKDONJSA-N 1 2 378.420 2.167 20 0 GEADLO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366460390 532917591 /nfs/dbraw/zinc/91/75/91/532917591.db2.gz YSEGRGCYQXOPCQ-LLVKDONJSA-N 1 2 378.420 2.167 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000366645551 532919538 /nfs/dbraw/zinc/91/95/38/532919538.db2.gz XAXWGMXEOWVSQX-UHFFFAOYSA-N 1 2 386.880 2.109 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000366645551 532919539 /nfs/dbraw/zinc/91/95/39/532919539.db2.gz XAXWGMXEOWVSQX-UHFFFAOYSA-N 1 2 386.880 2.109 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000366658476 532920088 /nfs/dbraw/zinc/92/00/88/532920088.db2.gz UFBQNKAANASGJG-QWHCGFSZSA-N 1 2 378.274 2.283 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000366658476 532920090 /nfs/dbraw/zinc/92/00/90/532920090.db2.gz UFBQNKAANASGJG-QWHCGFSZSA-N 1 2 378.274 2.283 20 0 GEADLO O=C1CO[C@@H]2CC[N@@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@@H]2N1 ZINC000366758069 532921120 /nfs/dbraw/zinc/92/11/20/532921120.db2.gz NVNOSAORQUXRFI-UONOGXRCSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@@H]2CC[N@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@@H]2N1 ZINC000366758069 532921122 /nfs/dbraw/zinc/92/11/22/532921122.db2.gz NVNOSAORQUXRFI-UONOGXRCSA-N 1 2 392.253 2.193 20 0 GEADLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3nc(C(N)=O)cs3)CC2)cs1 ZINC000293033350 532921416 /nfs/dbraw/zinc/92/14/16/532921416.db2.gz LFXQETVISIWCCR-LLVKDONJSA-N 1 2 381.527 2.118 20 0 GEADLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3nc(C(N)=O)cs3)CC2)cs1 ZINC000293033350 532921418 /nfs/dbraw/zinc/92/14/18/532921418.db2.gz LFXQETVISIWCCR-LLVKDONJSA-N 1 2 381.527 2.118 20 0 GEADLO Cn1ncc(I)c1C(=O)NCCCCNc1cccc[nH+]1 ZINC000293141388 532922779 /nfs/dbraw/zinc/92/27/79/532922779.db2.gz RUDVPFKSUFAVRV-UHFFFAOYSA-N 1 2 399.236 2.042 20 0 GEADLO O=C(c1ccncc1I)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000367162259 532923360 /nfs/dbraw/zinc/92/33/60/532923360.db2.gz YZPBBAPAQIYVDP-JTQLQIEISA-N 1 2 382.205 2.429 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000367445753 532924961 /nfs/dbraw/zinc/92/49/61/532924961.db2.gz ALHMIILOFXWNJW-INIZCTEOSA-N 1 2 378.274 2.427 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000367445753 532924962 /nfs/dbraw/zinc/92/49/62/532924962.db2.gz ALHMIILOFXWNJW-INIZCTEOSA-N 1 2 378.274 2.427 20 0 GEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1ccc(I)cc1 ZINC000367709405 532926813 /nfs/dbraw/zinc/92/68/13/532926813.db2.gz SUJSNAVTYNLECT-BETUJISGSA-N 1 2 384.217 2.426 20 0 GEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1ccc(I)cc1 ZINC000367709405 532926814 /nfs/dbraw/zinc/92/68/14/532926814.db2.gz SUJSNAVTYNLECT-BETUJISGSA-N 1 2 384.217 2.426 20 0 GEADLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ncc(C(F)(F)F)s1 ZINC000293517747 532927996 /nfs/dbraw/zinc/92/79/96/532927996.db2.gz ASFYXKDUDSBJBR-UHFFFAOYSA-N 1 2 395.428 2.320 20 0 GEADLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ncc(C(F)(F)F)s1 ZINC000293517747 532927997 /nfs/dbraw/zinc/92/79/97/532927997.db2.gz ASFYXKDUDSBJBR-UHFFFAOYSA-N 1 2 395.428 2.320 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000293546233 532928604 /nfs/dbraw/zinc/92/86/04/532928604.db2.gz WHOWFNZQEKZYNR-JSGCOSHPSA-N 1 2 387.933 2.113 20 0 GEADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCCCCCS(N)(=O)=O)CC1 ZINC000293850640 532932438 /nfs/dbraw/zinc/93/24/38/532932438.db2.gz XCHWHCZGNAQKBA-HNNXBMFYSA-N 1 2 387.571 2.192 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000368188206 532930698 /nfs/dbraw/zinc/93/06/98/532930698.db2.gz BEKWJNJFWIYGLZ-UHFFFAOYSA-N 1 2 383.411 2.159 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000368188206 532930699 /nfs/dbraw/zinc/93/06/99/532930699.db2.gz BEKWJNJFWIYGLZ-UHFFFAOYSA-N 1 2 383.411 2.159 20 0 GEADLO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O)c1ccc(Br)cc1 ZINC000368892225 532935077 /nfs/dbraw/zinc/93/50/77/532935077.db2.gz OXRCSEANPQXVPZ-SWLSCSKDSA-N 1 2 382.302 2.227 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O)c1ccc(Br)cc1 ZINC000368892225 532935078 /nfs/dbraw/zinc/93/50/78/532935078.db2.gz OXRCSEANPQXVPZ-SWLSCSKDSA-N 1 2 382.302 2.227 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000368925942 532935758 /nfs/dbraw/zinc/93/57/58/532935758.db2.gz DUMUUAYWLONSQS-GFCCVEGCSA-N 1 2 382.873 2.454 20 0 GEADLO COc1cc(C)c(Br)cc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000368608040 532933620 /nfs/dbraw/zinc/93/36/20/532933620.db2.gz KNCHEEUYGLYGNX-ZDUSSCGKSA-N 1 2 383.286 2.313 20 0 GEADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000369285108 532938021 /nfs/dbraw/zinc/93/80/21/532938021.db2.gz NGXUZBRYJHHCTD-KBPBESRZSA-N 1 2 387.571 2.176 20 0 GEADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000369285114 532937657 /nfs/dbraw/zinc/93/76/57/532937657.db2.gz NGXUZBRYJHHCTD-ZIAGYGMSSA-N 1 2 387.571 2.176 20 0 GEADLO COc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1S(C)(=O)=O ZINC000294184199 532936410 /nfs/dbraw/zinc/93/64/10/532936410.db2.gz ASCRBBUIEUTKGG-AWEZNQCLSA-N 1 2 382.507 2.193 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000294420199 532938994 /nfs/dbraw/zinc/93/89/94/532938994.db2.gz FRPBIGWTERRKRP-UHFFFAOYSA-N 1 2 393.237 2.483 20 0 GEADLO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370417084 532943401 /nfs/dbraw/zinc/94/34/01/532943401.db2.gz WTVTVAYJORRLFX-YESZJQIVSA-N 1 2 379.298 2.486 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000370751895 532945198 /nfs/dbraw/zinc/94/51/98/532945198.db2.gz ZKNMORHITYCBEK-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000370751895 532945199 /nfs/dbraw/zinc/94/51/99/532945199.db2.gz ZKNMORHITYCBEK-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO COCCCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000370822903 532945552 /nfs/dbraw/zinc/94/55/52/532945552.db2.gz CZSVWEVKZIIWIH-HNNXBMFYSA-N 1 2 398.301 2.005 20 0 GEADLO COCCCNC(=O)C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000370822903 532945553 /nfs/dbraw/zinc/94/55/53/532945553.db2.gz CZSVWEVKZIIWIH-HNNXBMFYSA-N 1 2 398.301 2.005 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000370856164 532945713 /nfs/dbraw/zinc/94/57/13/532945713.db2.gz LAMNTRYNJMJADW-DOMZBBRYSA-N 1 2 380.432 2.141 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000370856164 532945714 /nfs/dbraw/zinc/94/57/14/532945714.db2.gz LAMNTRYNJMJADW-DOMZBBRYSA-N 1 2 380.432 2.141 20 0 GEADLO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000370864707 532945795 /nfs/dbraw/zinc/94/57/95/532945795.db2.gz GFPHZGDNHMCGFX-BBRMVZONSA-N 1 2 385.555 2.138 20 0 GEADLO CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000370864707 532945796 /nfs/dbraw/zinc/94/57/96/532945796.db2.gz GFPHZGDNHMCGFX-BBRMVZONSA-N 1 2 385.555 2.138 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370949370 532946175 /nfs/dbraw/zinc/94/61/75/532946175.db2.gz AHKCPYRKIVEOHZ-TZMCWYRMSA-N 1 2 385.917 2.132 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370949370 532946176 /nfs/dbraw/zinc/94/61/76/532946176.db2.gz AHKCPYRKIVEOHZ-TZMCWYRMSA-N 1 2 385.917 2.132 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000370582624 532944345 /nfs/dbraw/zinc/94/43/45/532944345.db2.gz GOMDGIFPMXYOJW-UHFFFAOYSA-N 1 2 396.285 2.225 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cc(Br)ccc1F)CC2 ZINC000371692375 532949290 /nfs/dbraw/zinc/94/92/90/532949290.db2.gz IQXPEADAUIWZRR-UHFFFAOYSA-N 1 2 381.205 2.074 20 0 GEADLO Cc1c(Br)cccc1C(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371574784 532948603 /nfs/dbraw/zinc/94/86/03/532948603.db2.gz MSPQDOAVAROAPV-UHFFFAOYSA-N 1 2 394.313 2.136 20 0 GEADLO Cc1c(Br)cccc1C(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371574784 532948604 /nfs/dbraw/zinc/94/86/04/532948604.db2.gz MSPQDOAVAROAPV-UHFFFAOYSA-N 1 2 394.313 2.136 20 0 GEADLO COc1cc(S(=O)(=O)N2CCn3cc(C)[nH+]c3C2)ccc1Br ZINC000371702955 532949295 /nfs/dbraw/zinc/94/92/95/532949295.db2.gz HOBHVBQCXZOSHQ-UHFFFAOYSA-N 1 2 386.271 2.167 20 0 GEADLO C[N@@H+]1CCN(C2CCN(C(=O)Nc3ccccc3Br)CC2)C(=O)C1 ZINC000371611281 532948990 /nfs/dbraw/zinc/94/89/90/532948990.db2.gz JYTUQSFKTREUNY-UHFFFAOYSA-N 1 2 395.301 2.219 20 0 GEADLO C[N@H+]1CCN(C2CCN(C(=O)Nc3ccccc3Br)CC2)C(=O)C1 ZINC000371611281 532948991 /nfs/dbraw/zinc/94/89/91/532948991.db2.gz JYTUQSFKTREUNY-UHFFFAOYSA-N 1 2 395.301 2.219 20 0 GEADLO Cn1cc(C[C@H]2CC[N@@H+]([C@@H](C(N)=O)c3cccc(Br)c3)C2)cn1 ZINC000371226674 532947362 /nfs/dbraw/zinc/94/73/62/532947362.db2.gz AEWCTMSKFLYLDV-MLGOLLRUSA-N 1 2 377.286 2.274 20 0 GEADLO Cn1cc(C[C@H]2CC[N@H+]([C@@H](C(N)=O)c3cccc(Br)c3)C2)cn1 ZINC000371226674 532947363 /nfs/dbraw/zinc/94/73/63/532947363.db2.gz AEWCTMSKFLYLDV-MLGOLLRUSA-N 1 2 377.286 2.274 20 0 GEADLO O=S(=O)(c1cccc(Br)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016093646 136202002 /nfs/dbraw/zinc/20/20/02/136202002.db2.gz KWEMRJJOWGKOBE-UHFFFAOYSA-N 1 2 382.283 2.355 20 0 GEADLO O=S(=O)(c1cccnc1)N1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190985802 570376505 /nfs/dbraw/zinc/37/65/05/570376505.db2.gz ZQWKDXRDAFJRPI-KRWDZBQOSA-N 1 2 379.526 2.270 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000275609802 570697147 /nfs/dbraw/zinc/69/71/47/570697147.db2.gz IOSYXJCIHWTYJL-LBPRGKRZSA-N 1 2 377.395 2.007 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000275609802 570697149 /nfs/dbraw/zinc/69/71/49/570697149.db2.gz IOSYXJCIHWTYJL-LBPRGKRZSA-N 1 2 377.395 2.007 20 0 GEADLO FC(F)(F)c1ccnc(N2CCC[C@@H](c3n[nH]cc3C[NH+]3CCOCC3)C2)n1 ZINC000275640929 570697910 /nfs/dbraw/zinc/69/79/10/570697910.db2.gz NOQNVAWHTDCEOG-CYBMUJFWSA-N 1 2 396.417 2.435 20 0 GEADLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1Cc1[nH+]ccn1CC(F)(F)F ZINC000737521476 598824860 /nfs/dbraw/zinc/82/48/60/598824860.db2.gz AFOJXMVUKHROMB-UHFFFAOYSA-N 1 2 389.345 2.241 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737877674 598833758 /nfs/dbraw/zinc/83/37/58/598833758.db2.gz NYZMJYFXMJHNDT-CQSZACIVSA-N 1 2 384.465 2.410 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](Oc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737877674 598833760 /nfs/dbraw/zinc/83/37/60/598833760.db2.gz NYZMJYFXMJHNDT-CQSZACIVSA-N 1 2 384.465 2.410 20 0 GEADLO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000736901784 598861553 /nfs/dbraw/zinc/86/15/53/598861553.db2.gz ONWWQELFUILDNV-IBGZPJMESA-N 1 2 392.463 2.293 20 0 GEADLO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000736901784 598861554 /nfs/dbraw/zinc/86/15/54/598861554.db2.gz ONWWQELFUILDNV-IBGZPJMESA-N 1 2 392.463 2.293 20 0 GEADLO Cc1cccc(NC[C@@H]2CCN(c3c4ccccc4nnc3-c3nn[nH]n3)C2)[nH+]1 ZINC000737398692 598963738 /nfs/dbraw/zinc/96/37/38/598963738.db2.gz DPAYZVIRVJVTBF-AWEZNQCLSA-N 1 2 387.451 2.452 20 0 GEADLO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000737631478 599039906 /nfs/dbraw/zinc/03/99/06/599039906.db2.gz DNKIDCXHVRBKQM-UHFFFAOYSA-N 1 2 376.346 2.002 20 0 GEADLO C[C@@H]1CCCN(c2cc(NCCOc3ccc(-c4nn[nH]n4)cc3)[nH+]cn2)C1 ZINC000820709222 599047395 /nfs/dbraw/zinc/04/73/95/599047395.db2.gz GDSKKFOIBVXEBM-CQSZACIVSA-N 1 2 380.456 2.384 20 0 GEADLO C[C@@H]1CCCN(c2cc(NCCOc3ccc(-c4nn[nH]n4)cc3)nc[nH+]2)C1 ZINC000820709222 599047398 /nfs/dbraw/zinc/04/73/98/599047398.db2.gz GDSKKFOIBVXEBM-CQSZACIVSA-N 1 2 380.456 2.384 20 0 GEADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000737744291 599069114 /nfs/dbraw/zinc/06/91/14/599069114.db2.gz VNWOSSAXVUOCOH-GOSISDBHSA-N 1 2 378.411 2.322 20 0 GEADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000737744291 599069116 /nfs/dbraw/zinc/06/91/16/599069116.db2.gz VNWOSSAXVUOCOH-GOSISDBHSA-N 1 2 378.411 2.322 20 0 GEADLO O=C(C[NH+]1CCC(Oc2ccc(F)cc2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737875961 599080861 /nfs/dbraw/zinc/08/08/61/599080861.db2.gz OKEUBAFRXLLBDA-UHFFFAOYSA-N 1 2 396.426 2.488 20 0 GEADLO NC(=O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737738037 599090055 /nfs/dbraw/zinc/09/00/55/599090055.db2.gz UHPRXNHBVBGRGP-CQSZACIVSA-N 1 2 376.342 2.202 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736205089 599132039 /nfs/dbraw/zinc/13/20/39/599132039.db2.gz XFPNIYJNUNMFCP-KRWDZBQOSA-N 1 2 393.495 2.409 20 0 GEADLO O[C@@H](C[NH+]1CCN(c2c(F)cc(-c3nn[nH]n3)cc2F)CC1)c1ccccc1 ZINC000738380886 599205160 /nfs/dbraw/zinc/20/51/60/599205160.db2.gz INAVPDYBOBNZMD-KRWDZBQOSA-N 1 2 386.406 2.001 20 0 GEADLO Cc1ccc(OC2CC[NH+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737364209 599209489 /nfs/dbraw/zinc/20/94/89/599209489.db2.gz JMDHENMPDXJNJX-IBGZPJMESA-N 1 2 392.463 2.245 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN(C(=O)N2CCCC2)CC1 ZINC000737410821 599265310 /nfs/dbraw/zinc/26/53/10/599265310.db2.gz UASWFTBWEHQXBA-UHFFFAOYSA-N 1 2 392.467 2.061 20 0 GEADLO Cc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822204076 607345212 /nfs/dbraw/zinc/34/52/12/607345212.db2.gz CIYBSFSYBNSAIV-UHFFFAOYSA-N 1 2 380.427 2.272 20 0 GEADLO CCCC(=O)N[C@@H]1CCC[N@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000736414190 598234816 /nfs/dbraw/zinc/23/48/16/598234816.db2.gz WUAUSRGNSTWUOH-QGZVFWFLSA-N 1 2 394.483 2.068 20 0 GEADLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000736414190 598234817 /nfs/dbraw/zinc/23/48/17/598234817.db2.gz WUAUSRGNSTWUOH-QGZVFWFLSA-N 1 2 394.483 2.068 20 0 GEADLO COC(=O)c1occc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736957392 598249145 /nfs/dbraw/zinc/24/91/45/598249145.db2.gz RHGBGNXNAFSEPV-UHFFFAOYSA-N 1 2 383.408 2.290 20 0 GEADLO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737437007 598253468 /nfs/dbraw/zinc/25/34/68/598253468.db2.gz VIGPOGYMJFNCST-INIZCTEOSA-N 1 2 391.479 2.324 20 0 GEADLO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000735660253 598274580 /nfs/dbraw/zinc/27/45/80/598274580.db2.gz KGQNLTPRAANSIG-UHFFFAOYSA-N 1 2 395.471 2.172 20 0 GEADLO O=C(C[N@@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737872395 598311976 /nfs/dbraw/zinc/31/19/76/598311976.db2.gz HCNRPYQNJRFOBK-GOSISDBHSA-N 1 2 378.436 2.269 20 0 GEADLO O=C(C[N@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737872395 598311978 /nfs/dbraw/zinc/31/19/78/598311978.db2.gz HCNRPYQNJRFOBK-GOSISDBHSA-N 1 2 378.436 2.269 20 0 GEADLO C[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1C[C@@H](O)c1ccccc1 ZINC000736290598 598365871 /nfs/dbraw/zinc/36/58/71/598365871.db2.gz RLBOAVHKXHXHSR-OXJNMPFZSA-N 1 2 378.480 2.106 20 0 GEADLO C[C@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1C[C@@H](O)c1ccccc1 ZINC000736290598 598365873 /nfs/dbraw/zinc/36/58/73/598365873.db2.gz RLBOAVHKXHXHSR-OXJNMPFZSA-N 1 2 378.480 2.106 20 0 GEADLO Clc1cc(-c2nn[nH]n2)cnc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000737558632 598387173 /nfs/dbraw/zinc/38/71/73/598387173.db2.gz PHSAFVUOWLSNLN-HNNXBMFYSA-N 1 2 385.859 2.228 20 0 GEADLO Clc1cc(-c2nn[nH]n2)cnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000737558632 598387175 /nfs/dbraw/zinc/38/71/75/598387175.db2.gz PHSAFVUOWLSNLN-HNNXBMFYSA-N 1 2 385.859 2.228 20 0 GEADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000737469701 598407117 /nfs/dbraw/zinc/40/71/17/598407117.db2.gz BKMLJLSGOWPPHV-GFCCVEGCSA-N 1 2 385.497 2.249 20 0 GEADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000737469701 598407119 /nfs/dbraw/zinc/40/71/19/598407119.db2.gz BKMLJLSGOWPPHV-GFCCVEGCSA-N 1 2 385.497 2.249 20 0 GEADLO C[C@H](Sc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000736190590 598413827 /nfs/dbraw/zinc/41/38/27/598413827.db2.gz FVPYLEYIFUMTTD-AWEZNQCLSA-N 1 2 395.492 2.091 20 0 GEADLO O=C(NCc1cn2c([nH+]1)CCCC2)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738123992 598480826 /nfs/dbraw/zinc/48/08/26/598480826.db2.gz GVGZSLNBNOISER-UHFFFAOYSA-N 1 2 392.467 2.274 20 0 GEADLO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000735735737 598501112 /nfs/dbraw/zinc/50/11/12/598501112.db2.gz UTWFSADLSYIJKH-YOEHRIQHSA-N 1 2 395.467 2.399 20 0 GEADLO O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000737931499 598501532 /nfs/dbraw/zinc/50/15/32/598501532.db2.gz HKLLEPRHRWACST-HNNXBMFYSA-N 1 2 383.481 2.229 20 0 GEADLO O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000737931503 598501594 /nfs/dbraw/zinc/50/15/94/598501594.db2.gz HKLLEPRHRWACST-OAHLLOKOSA-N 1 2 383.481 2.229 20 0 GEADLO Clc1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nc1-c1nn[nH]n1 ZINC000737576228 598571682 /nfs/dbraw/zinc/57/16/82/598571682.db2.gz ZBLGXVJKWWNYJT-HNNXBMFYSA-N 1 2 385.859 2.401 20 0 GEADLO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)NCCNc1cccc[nH+]1 ZINC000737832783 598718755 /nfs/dbraw/zinc/71/87/55/598718755.db2.gz LZCCYNHFWKWPEF-UHFFFAOYSA-N 1 2 381.440 2.039 20 0 GEADLO Cc1csc([C@H]2C[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CCO2)n1 ZINC000737455603 598761093 /nfs/dbraw/zinc/76/10/93/598761093.db2.gz SXPJXRVIPDCANY-OAHLLOKOSA-N 1 2 399.480 2.034 20 0 GEADLO Cc1csc([C@H]2C[N@@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CCO2)n1 ZINC000737455603 598761094 /nfs/dbraw/zinc/76/10/94/598761094.db2.gz SXPJXRVIPDCANY-OAHLLOKOSA-N 1 2 399.480 2.034 20 0 GEADLO C[C@H]1c2ccccc2OCC[N@@H+]1[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736302326 598762819 /nfs/dbraw/zinc/76/28/19/598762819.db2.gz GKBHZBCUXZVFRW-KSSFIOAISA-N 1 2 390.447 2.428 20 0 GEADLO C[C@H]1c2ccccc2OCC[N@H+]1[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736302326 598762820 /nfs/dbraw/zinc/76/28/20/598762820.db2.gz GKBHZBCUXZVFRW-KSSFIOAISA-N 1 2 390.447 2.428 20 0 GEADLO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000736181805 598808418 /nfs/dbraw/zinc/80/84/18/598808418.db2.gz AWFFRJIZMKPNBB-AWEZNQCLSA-N 1 2 381.440 2.038 20 0 GEADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736905078 599444861 /nfs/dbraw/zinc/44/48/61/599444861.db2.gz AAZWHZMLAHTMMF-SFHVURJKSA-N 1 2 394.435 2.041 20 0 GEADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736905078 599444864 /nfs/dbraw/zinc/44/48/64/599444864.db2.gz AAZWHZMLAHTMMF-SFHVURJKSA-N 1 2 394.435 2.041 20 0 GEADLO CNc1cc(N2CCC[C@@H]2CNc2c(F)cc(-c3nn[nH]n3)cc2F)nc[nH+]1 ZINC000821637646 599528872 /nfs/dbraw/zinc/52/88/72/599528872.db2.gz OCWYAQMVLWGMDH-LLVKDONJSA-N 1 2 387.398 2.058 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)c2)C[C@H](C)O1 ZINC000736290945 599547564 /nfs/dbraw/zinc/54/75/64/599547564.db2.gz SDNJXRYDDJTJND-OKILXGFUSA-N 1 2 393.451 2.123 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)c2)C[C@H](C)O1 ZINC000736290945 599547566 /nfs/dbraw/zinc/54/75/66/599547566.db2.gz SDNJXRYDDJTJND-OKILXGFUSA-N 1 2 393.451 2.123 20 0 GEADLO CC[C@@]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)(C(=O)[O-])c1ccccc1 ZINC000736914962 600129276 /nfs/dbraw/zinc/12/92/76/600129276.db2.gz AFOTUWJKUJXHTL-QFIPXVFZSA-N 1 2 396.491 2.100 20 0 GEADLO C[C@@H]1C[C@H]([NH+](C)CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CC[N@@H+]1C ZINC000736759753 600967521 /nfs/dbraw/zinc/96/75/21/600967521.db2.gz KFAHSAACPLYEKZ-OGWOLHLISA-N 1 2 386.496 2.136 20 0 GEADLO C[C@@H]1C[C@H]([NH+](C)CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CC[N@H+]1C ZINC000736759753 600967523 /nfs/dbraw/zinc/96/75/23/600967523.db2.gz KFAHSAACPLYEKZ-OGWOLHLISA-N 1 2 386.496 2.136 20 0 GEADLO C[C@@H]1C[C@H]([N@H+](C)CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CC[NH+]1C ZINC000736759753 600967525 /nfs/dbraw/zinc/96/75/25/600967525.db2.gz KFAHSAACPLYEKZ-OGWOLHLISA-N 1 2 386.496 2.136 20 0 GEADLO C[C@@H]1C[C@H]([N@@H+](C)CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CC[NH+]1C ZINC000736759753 600967527 /nfs/dbraw/zinc/96/75/27/600967527.db2.gz KFAHSAACPLYEKZ-OGWOLHLISA-N 1 2 386.496 2.136 20 0 GEADLO COc1ccccc1C[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)C[C@H]1CCCO1 ZINC000826219925 607484379 /nfs/dbraw/zinc/48/43/79/607484379.db2.gz WGOFGFHLXRPJTL-QGZVFWFLSA-N 1 2 380.452 2.452 20 0 GEADLO COc1ccccc1C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)C[C@H]1CCCO1 ZINC000826219925 607484380 /nfs/dbraw/zinc/48/43/80/607484380.db2.gz WGOFGFHLXRPJTL-QGZVFWFLSA-N 1 2 380.452 2.452 20 0 GEADLO CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000830908461 601381195 /nfs/dbraw/zinc/38/11/95/601381195.db2.gz WGLXCYKLBZWBRS-YJBOKZPZSA-N 1 2 395.463 2.324 20 0 GEADLO CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000830908461 601381199 /nfs/dbraw/zinc/38/11/99/601381199.db2.gz WGLXCYKLBZWBRS-YJBOKZPZSA-N 1 2 395.463 2.324 20 0 GEADLO COc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826195140 607515420 /nfs/dbraw/zinc/51/54/20/607515420.db2.gz JDUJTYYNLFOJTF-PKOBYXMFSA-N 1 2 395.463 2.200 20 0 GEADLO COc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826195140 607515422 /nfs/dbraw/zinc/51/54/22/607515422.db2.gz JDUJTYYNLFOJTF-PKOBYXMFSA-N 1 2 395.463 2.200 20 0 GEADLO C[C@H](C(=O)[O-])[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000826045263 601654093 /nfs/dbraw/zinc/65/40/93/601654093.db2.gz REXBGWCUPCDCGK-PGRDOPGGSA-N 1 2 395.503 2.382 20 0 GEADLO C[NH+]1CCC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)([NH+]2CCCCC2)CC1 ZINC000659399579 601827998 /nfs/dbraw/zinc/82/79/98/601827998.db2.gz SSQNTIQAQGLXFX-UHFFFAOYSA-N 1 2 394.560 2.223 20 0 GEADLO COc1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1-c1nn[nH]n1 ZINC000826201601 607591613 /nfs/dbraw/zinc/59/16/13/607591613.db2.gz YVNGFBGCUJTWPO-UHFFFAOYSA-N 1 2 389.419 2.050 20 0 GEADLO C[NH+]1CCC(CNC(=O)[C@H](NC(=O)[O-])c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000739732886 603041518 /nfs/dbraw/zinc/04/15/18/603041518.db2.gz QEARVWBOZRWQSE-GOSISDBHSA-N 1 2 388.512 2.062 20 0 GEADLO CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000827643162 603404835 /nfs/dbraw/zinc/40/48/35/603404835.db2.gz OPACGNHUMYZIMI-FHWLQOOXSA-N 1 2 386.496 2.322 20 0 GEADLO CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000827643162 603404838 /nfs/dbraw/zinc/40/48/38/603404838.db2.gz OPACGNHUMYZIMI-FHWLQOOXSA-N 1 2 386.496 2.322 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccccc1-c1nn[nH]n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824648615 607653672 /nfs/dbraw/zinc/65/36/72/607653672.db2.gz HLMPBKLSKHMZAW-CYBMUJFWSA-N 1 2 395.448 2.092 20 0 GEADLO CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000833417272 604940583 /nfs/dbraw/zinc/94/05/83/604940583.db2.gz OIBHTWJQGVVNHA-IBGZPJMESA-N 1 2 387.524 2.154 20 0 GEADLO CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000833417272 604940584 /nfs/dbraw/zinc/94/05/84/604940584.db2.gz OIBHTWJQGVVNHA-IBGZPJMESA-N 1 2 387.524 2.154 20 0 GEADLO O=C([O-])CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000833773302 605228346 /nfs/dbraw/zinc/22/83/46/605228346.db2.gz LAWZNIIMOLAHKX-KRWDZBQOSA-N 1 2 379.888 2.364 20 0 GEADLO C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1CCC(=O)[O-] ZINC000833618468 605258167 /nfs/dbraw/zinc/25/81/67/605258167.db2.gz OJQXYECXRBBDLH-VQIMIIECSA-N 1 2 391.487 2.188 20 0 GEADLO C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@H+]1CCC(=O)[O-] ZINC000833618468 605258169 /nfs/dbraw/zinc/25/81/69/605258169.db2.gz OJQXYECXRBBDLH-VQIMIIECSA-N 1 2 391.487 2.188 20 0 GEADLO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1CCC(=O)[O-] ZINC000833618468 605258171 /nfs/dbraw/zinc/25/81/71/605258171.db2.gz OJQXYECXRBBDLH-VQIMIIECSA-N 1 2 391.487 2.188 20 0 GEADLO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1CCC(=O)[O-] ZINC000833618468 605258173 /nfs/dbraw/zinc/25/81/73/605258173.db2.gz OJQXYECXRBBDLH-VQIMIIECSA-N 1 2 391.487 2.188 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826182565 607749364 /nfs/dbraw/zinc/74/93/64/607749364.db2.gz NQHALPLOMYZSKG-WMLDXEAASA-N 1 2 387.390 2.461 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826182565 607749365 /nfs/dbraw/zinc/74/93/65/607749365.db2.gz NQHALPLOMYZSKG-WMLDXEAASA-N 1 2 387.390 2.461 20 0 GEADLO Cc1oc(NC(=O)C[NH+]2CCC(C3CCOCC3)CC2)c(-c2nn[nH]n2)c1C ZINC000826342020 607757137 /nfs/dbraw/zinc/75/71/37/607757137.db2.gz VUMSMWSISPUUNA-UHFFFAOYSA-N 1 2 388.472 2.154 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000445249544 649959480 /nfs/dbraw/zinc/95/94/80/649959480.db2.gz OFSXDVSJJPMDRT-ZDUSSCGKSA-N 1 2 377.242 2.278 20 0 GEADLO O=C([O-])N[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000834157852 605792007 /nfs/dbraw/zinc/79/20/07/605792007.db2.gz IQMOQULEAYIJJO-DUXKGJEZSA-N 1 2 381.476 2.449 20 0 GEADLO O=C([O-])N[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000834157852 605792008 /nfs/dbraw/zinc/79/20/08/605792008.db2.gz IQMOQULEAYIJJO-DUXKGJEZSA-N 1 2 381.476 2.449 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)c(-c2nn[nH]n2)c1C ZINC000822558990 606111061 /nfs/dbraw/zinc/11/10/61/606111061.db2.gz URZOOWFUUOEOFG-ZDUSSCGKSA-N 1 2 386.485 2.054 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c(-c2nn[nH]n2)c1C ZINC000822558990 606111063 /nfs/dbraw/zinc/11/10/63/606111063.db2.gz URZOOWFUUOEOFG-ZDUSSCGKSA-N 1 2 386.485 2.054 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCCO[NH+]=C(N)Cc1ccccc1C ZINC000821702154 606202384 /nfs/dbraw/zinc/20/23/84/606202384.db2.gz JOFDOKREWOCENF-UHFFFAOYSA-N 1 2 382.424 2.304 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000822332330 606216964 /nfs/dbraw/zinc/21/69/64/606216964.db2.gz OOVFWVJSTOQBPL-AWEZNQCLSA-N 1 2 379.468 2.464 20 0 GEADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)CCCOc1ccccc1 ZINC000821650658 606315520 /nfs/dbraw/zinc/31/55/20/606315520.db2.gz WLQQNEXWURISCU-GOSISDBHSA-N 1 2 381.436 2.482 20 0 GEADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)CCCOc1ccccc1 ZINC000821650658 606315521 /nfs/dbraw/zinc/31/55/21/606315521.db2.gz WLQQNEXWURISCU-GOSISDBHSA-N 1 2 381.436 2.482 20 0 GEADLO Fc1cc(F)c(F)c(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1F ZINC000822754394 606338263 /nfs/dbraw/zinc/33/82/63/606338263.db2.gz ZKYIJVYZHSBABE-UHFFFAOYSA-N 1 2 377.305 2.361 20 0 GEADLO CN(C[C@@H]1CCOC1)c1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000821598131 606474604 /nfs/dbraw/zinc/47/46/04/606474604.db2.gz RKNLTLFQHNFERM-JTQLQIEISA-N 1 2 376.367 2.489 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCS[C@H]2CCCC[C@H]21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562666 606528537 /nfs/dbraw/zinc/52/85/37/606528537.db2.gz VRJHOSINPPXURN-CVEARBPZSA-N 1 2 393.538 2.000 20 0 GEADLO O=S(=O)(CC[N@H+]1CCS[C@H]2CCCC[C@H]21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562666 606528538 /nfs/dbraw/zinc/52/85/38/606528538.db2.gz VRJHOSINPPXURN-CVEARBPZSA-N 1 2 393.538 2.000 20 0 GEADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000819923084 606617818 /nfs/dbraw/zinc/61/78/18/606617818.db2.gz VDEBMQFFZWGLIV-AWEZNQCLSA-N 1 2 397.439 2.080 20 0 GEADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000819923084 606617820 /nfs/dbraw/zinc/61/78/20/606617820.db2.gz VDEBMQFFZWGLIV-AWEZNQCLSA-N 1 2 397.439 2.080 20 0 GEADLO c1cc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)sc1-c1nn[nH]n1 ZINC000823746945 606620515 /nfs/dbraw/zinc/62/05/15/606620515.db2.gz AVGIGZVVALYKMW-UHFFFAOYSA-N 1 2 395.448 2.477 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000821267457 606628782 /nfs/dbraw/zinc/62/87/82/606628782.db2.gz OTNBHANPHQJNJQ-LLVKDONJSA-N 1 2 380.905 2.165 20 0 GEADLO Cc1[nH+]ccn1-c1ccc(NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cn1 ZINC000822476961 606670659 /nfs/dbraw/zinc/67/06/59/606670659.db2.gz BJMITFUPLHYPIB-UHFFFAOYSA-N 1 2 382.334 2.286 20 0 GEADLO CC[C@@H](Nc1cccc(-c2nn[nH]n2)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000820924908 606725472 /nfs/dbraw/zinc/72/54/72/606725472.db2.gz BTNPUJGAQVKMGN-AEFFLSMTSA-N 1 2 379.468 2.353 20 0 GEADLO CC[C@@H](Nc1cccc(-c2nn[nH]n2)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000820924908 606725473 /nfs/dbraw/zinc/72/54/73/606725473.db2.gz BTNPUJGAQVKMGN-AEFFLSMTSA-N 1 2 379.468 2.353 20 0 GEADLO Cc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)cn1 ZINC000822237339 606762628 /nfs/dbraw/zinc/76/26/28/606762628.db2.gz PNKZYXUTAJNRDJ-UHFFFAOYSA-N 1 2 392.423 2.140 20 0 GEADLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000822694065 606847615 /nfs/dbraw/zinc/84/76/15/606847615.db2.gz TZMOZDSOZKXFJF-MSOLQXFVSA-N 1 2 393.426 2.152 20 0 GEADLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1 ZINC000822693806 606849303 /nfs/dbraw/zinc/84/93/03/606849303.db2.gz KMCUYECHLTYRLV-ZWKOTPCHSA-N 1 2 393.426 2.152 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000821267761 606851501 /nfs/dbraw/zinc/85/15/01/606851501.db2.gz QNOOODFPYDSYKN-LLVKDONJSA-N 1 2 380.905 2.165 20 0 GEADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1)c1ccco1 ZINC000823674817 606916121 /nfs/dbraw/zinc/91/61/21/606916121.db2.gz RXPHLHIQTJSTIY-WBVHZDCISA-N 1 2 394.435 2.037 20 0 GEADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1)c1ccco1 ZINC000823674817 606916122 /nfs/dbraw/zinc/91/61/22/606916122.db2.gz RXPHLHIQTJSTIY-WBVHZDCISA-N 1 2 394.435 2.037 20 0 GEADLO C[C@H](c1nc(C2CC2)no1)N1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820571320 606969726 /nfs/dbraw/zinc/96/97/26/606969726.db2.gz YCRONYPEGAKMOR-GFCCVEGCSA-N 1 2 398.446 2.145 20 0 GEADLO Fc1ccc(CN(CC[NH+]2CCOCC2)c2ccccc2)cc1-c1nn[nH]n1 ZINC000822765913 606975112 /nfs/dbraw/zinc/97/51/12/606975112.db2.gz AWXXCLQDZANYLF-UHFFFAOYSA-N 1 2 382.443 2.345 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@@H](c2ccsc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822969179 606982580 /nfs/dbraw/zinc/98/25/80/606982580.db2.gz IXAOEBOWSRQMDH-MRXNPFEDSA-N 1 2 384.465 2.330 20 0 GEADLO O=C(CC[N@H+]1CCO[C@@H](c2ccsc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822969179 606982581 /nfs/dbraw/zinc/98/25/81/606982581.db2.gz IXAOEBOWSRQMDH-MRXNPFEDSA-N 1 2 384.465 2.330 20 0 GEADLO Cc1nnc(N2CC[C@H]([N@@H+](C)Cc3ncc(C(C)C)o3)C2)c(-c2nn[nH]n2)c1C ZINC000822510695 607044811 /nfs/dbraw/zinc/04/48/11/607044811.db2.gz UZTRNAMZQNTEOX-AWEZNQCLSA-N 1 2 397.487 2.096 20 0 GEADLO Cc1nnc(N2CC[C@H]([N@H+](C)Cc3ncc(C(C)C)o3)C2)c(-c2nn[nH]n2)c1C ZINC000822510695 607044813 /nfs/dbraw/zinc/04/48/13/607044813.db2.gz UZTRNAMZQNTEOX-AWEZNQCLSA-N 1 2 397.487 2.096 20 0 GEADLO COc1cccc([C@@H]2C[N@H+](CCOc3ccccc3-c3nn[nH]n3)CCO2)c1 ZINC000821864132 607077040 /nfs/dbraw/zinc/07/70/40/607077040.db2.gz UEABMZHPDVEXBK-IBGZPJMESA-N 1 2 381.436 2.328 20 0 GEADLO COc1cccc([C@@H]2C[N@@H+](CCOc3ccccc3-c3nn[nH]n3)CCO2)c1 ZINC000821864132 607077041 /nfs/dbraw/zinc/07/70/41/607077041.db2.gz UEABMZHPDVEXBK-IBGZPJMESA-N 1 2 381.436 2.328 20 0 GEADLO c1ccc2[nH]c(C3C[NH+](Cc4nnc(-c5ccc(-c6nn[nH]n6)cc5)o4)C3)nc2c1 ZINC000823792045 607103751 /nfs/dbraw/zinc/10/37/51/607103751.db2.gz NSGACQPWTIUVGX-UHFFFAOYSA-N 1 2 399.418 2.392 20 0 GEADLO CCc1oc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1C ZINC000821558889 607150838 /nfs/dbraw/zinc/15/08/38/607150838.db2.gz JOJSWKQTHROFOI-UHFFFAOYSA-N 1 2 380.452 2.289 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000821601423 607194114 /nfs/dbraw/zinc/19/41/14/607194114.db2.gz GQHUOLAPZDNOGW-UHFFFAOYSA-N 1 2 392.370 2.219 20 0 GEADLO Cc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000826285724 607829170 /nfs/dbraw/zinc/82/91/70/607829170.db2.gz HZIQQLIVZGMCCC-INIZCTEOSA-N 1 2 387.465 2.379 20 0 GEADLO Cc1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000826285724 607829171 /nfs/dbraw/zinc/82/91/71/607829171.db2.gz HZIQQLIVZGMCCC-INIZCTEOSA-N 1 2 387.465 2.379 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826029208 607849412 /nfs/dbraw/zinc/84/94/12/607849412.db2.gz QPGNKDPNYPHXMQ-HIFRSBDPSA-N 1 2 389.822 2.163 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826029208 607849413 /nfs/dbraw/zinc/84/94/13/607849413.db2.gz QPGNKDPNYPHXMQ-HIFRSBDPSA-N 1 2 389.822 2.163 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826182561 607991812 /nfs/dbraw/zinc/99/18/12/607991812.db2.gz NOYIEADSQCDQOD-WMLDXEAASA-N 1 2 387.390 2.461 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826182561 607991813 /nfs/dbraw/zinc/99/18/13/607991813.db2.gz NOYIEADSQCDQOD-WMLDXEAASA-N 1 2 387.390 2.461 20 0 GEADLO COc1ccccc1OCC[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826221317 608071778 /nfs/dbraw/zinc/07/17/78/608071778.db2.gz ZKLIOTPZEFOAJE-IBGZPJMESA-N 1 2 381.436 2.328 20 0 GEADLO COc1ccccc1OCC[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826221317 608071779 /nfs/dbraw/zinc/07/17/79/608071779.db2.gz ZKLIOTPZEFOAJE-IBGZPJMESA-N 1 2 381.436 2.328 20 0 GEADLO C[N@H+](Cc1ccccc1N1CCCC1)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825981482 608121222 /nfs/dbraw/zinc/12/12/22/608121222.db2.gz SRPSJGGIDZPAJS-IBGZPJMESA-N 1 2 391.479 2.125 20 0 GEADLO C[N@@H+](Cc1ccccc1N1CCCC1)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825981482 608121223 /nfs/dbraw/zinc/12/12/23/608121223.db2.gz SRPSJGGIDZPAJS-IBGZPJMESA-N 1 2 391.479 2.125 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826410572 608128647 /nfs/dbraw/zinc/12/86/47/608128647.db2.gz QWYQUMPCHWVJDT-CYBMUJFWSA-N 1 2 388.428 2.159 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826410572 608128648 /nfs/dbraw/zinc/12/86/48/608128648.db2.gz QWYQUMPCHWVJDT-CYBMUJFWSA-N 1 2 388.428 2.159 20 0 GEADLO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 ZINC000825399635 608157405 /nfs/dbraw/zinc/15/74/05/608157405.db2.gz ZUYRVRDMLUTPOQ-RTBURBONSA-N 1 2 395.463 2.445 20 0 GEADLO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 ZINC000825399635 608157406 /nfs/dbraw/zinc/15/74/06/608157406.db2.gz ZUYRVRDMLUTPOQ-RTBURBONSA-N 1 2 395.463 2.445 20 0 GEADLO O=C(C[NH+]1CCC(Cc2cccnc2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000826410354 608209681 /nfs/dbraw/zinc/20/96/81/608209681.db2.gz KUJPUEHEKZIUKH-UHFFFAOYSA-N 1 2 383.481 2.216 20 0 GEADLO CCOCC[N@H+](C)CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000825595013 608268781 /nfs/dbraw/zinc/26/87/81/608268781.db2.gz UTTVQLJLVCJOBZ-UHFFFAOYSA-N 1 2 378.502 2.104 20 0 GEADLO CCOCC[N@@H+](C)CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000825595013 608268783 /nfs/dbraw/zinc/26/87/83/608268783.db2.gz UTTVQLJLVCJOBZ-UHFFFAOYSA-N 1 2 378.502 2.104 20 0 GEADLO C[C@]1(O)CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000824844047 608305247 /nfs/dbraw/zinc/30/52/47/608305247.db2.gz NOWKZZVEWCBSPY-KRWDZBQOSA-N 1 2 376.367 2.368 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000826169456 608370294 /nfs/dbraw/zinc/37/02/94/608370294.db2.gz SOOHTKKKTGKIQL-UHFFFAOYSA-N 1 2 382.443 2.332 20 0 GEADLO CCc1nc(CN2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)cs1 ZINC000825746604 608402633 /nfs/dbraw/zinc/40/26/33/608402633.db2.gz ZXAMFBHQUFWKJI-UHFFFAOYSA-N 1 2 387.488 2.343 20 0 GEADLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1OC(F)F ZINC000824529301 608434474 /nfs/dbraw/zinc/43/44/74/608434474.db2.gz GASRCGLHWTYYCW-BMIGLBTASA-N 1 2 388.378 2.345 20 0 GEADLO O=C1[C@H]([N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CCN1CC(F)(F)F ZINC000826476738 608466630 /nfs/dbraw/zinc/46/66/30/608466630.db2.gz NYCCEJSLTAEKRB-OAHLLOKOSA-N 1 2 392.385 2.119 20 0 GEADLO O=C1[C@H]([N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CCN1CC(F)(F)F ZINC000826476738 608466632 /nfs/dbraw/zinc/46/66/32/608466632.db2.gz NYCCEJSLTAEKRB-OAHLLOKOSA-N 1 2 392.385 2.119 20 0 GEADLO O=C(C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)NCc1ccccc1F ZINC000826410558 608466771 /nfs/dbraw/zinc/46/67/71/608466771.db2.gz QODVFEMATWONLQ-UHFFFAOYSA-N 1 2 392.438 2.411 20 0 GEADLO O=C(C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)NCc1ccccc1F ZINC000826410558 608466772 /nfs/dbraw/zinc/46/67/72/608466772.db2.gz QODVFEMATWONLQ-UHFFFAOYSA-N 1 2 392.438 2.411 20 0 GEADLO Cc1cc(N2CCN(c3nc(-c4nn[nH]n4)ccc3C)CC2)nc(C(C)C)[nH+]1 ZINC000826269624 608542177 /nfs/dbraw/zinc/54/21/77/608542177.db2.gz RLHRBBQJDRSQEB-UHFFFAOYSA-N 1 2 379.472 2.119 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000826183744 608562906 /nfs/dbraw/zinc/56/29/06/608562906.db2.gz YZDQADJGSGKHPQ-UHFFFAOYSA-N 1 2 384.406 2.334 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000826183744 608562907 /nfs/dbraw/zinc/56/29/07/608562907.db2.gz YZDQADJGSGKHPQ-UHFFFAOYSA-N 1 2 384.406 2.334 20 0 GEADLO C[C@H]1CCOCC[N@@H+]1CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000824966639 608564033 /nfs/dbraw/zinc/56/40/33/608564033.db2.gz CXJMMNZEUDDCTO-LBPRGKRZSA-N 1 2 390.513 2.246 20 0 GEADLO C[C@H]1CCOCC[N@H+]1CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000824966639 608564035 /nfs/dbraw/zinc/56/40/35/608564035.db2.gz CXJMMNZEUDDCTO-LBPRGKRZSA-N 1 2 390.513 2.246 20 0 GEADLO CCOc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1 ZINC000825649567 608589841 /nfs/dbraw/zinc/58/98/41/608589841.db2.gz SCUAZQUWUUFSQW-UHFFFAOYSA-N 1 2 395.467 2.453 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cc1C ZINC000826195257 608590635 /nfs/dbraw/zinc/59/06/35/608590635.db2.gz NBUIBCHNPWSNER-UHFFFAOYSA-N 1 2 395.467 2.371 20 0 GEADLO COCc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cc1 ZINC000826164697 608590728 /nfs/dbraw/zinc/59/07/28/608590728.db2.gz LHDPHXABAKPCAV-UHFFFAOYSA-N 1 2 395.467 2.201 20 0 GEADLO CCn1nc(C)c(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1C ZINC000825807688 608639724 /nfs/dbraw/zinc/63/97/24/608639724.db2.gz VGRMMUYWZUVIIC-UHFFFAOYSA-N 1 2 384.463 2.161 20 0 GEADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825006296 608674233 /nfs/dbraw/zinc/67/42/33/608674233.db2.gz IJKIMLBJPBCJAX-RDTXWAMCSA-N 1 2 375.436 2.476 20 0 GEADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825006296 608674235 /nfs/dbraw/zinc/67/42/35/608674235.db2.gz IJKIMLBJPBCJAX-RDTXWAMCSA-N 1 2 375.436 2.476 20 0 GEADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000826190175 608710478 /nfs/dbraw/zinc/71/04/78/608710478.db2.gz RZRPXFBCYWTRPX-OAHLLOKOSA-N 1 2 382.424 2.380 20 0 GEADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000826190175 608710481 /nfs/dbraw/zinc/71/04/81/608710481.db2.gz RZRPXFBCYWTRPX-OAHLLOKOSA-N 1 2 382.424 2.380 20 0 GEADLO C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000825961078 608724906 /nfs/dbraw/zinc/72/49/06/608724906.db2.gz AKIBOBJNDWZCRI-UHFFFAOYSA-N 1 2 379.323 2.422 20 0 GEADLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000825961078 608724907 /nfs/dbraw/zinc/72/49/07/608724907.db2.gz AKIBOBJNDWZCRI-UHFFFAOYSA-N 1 2 379.323 2.422 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000824998993 608834838 /nfs/dbraw/zinc/83/48/38/608834838.db2.gz BYYRARDEDXGXSK-GFCCVEGCSA-N 1 2 394.414 2.253 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000824998993 608834840 /nfs/dbraw/zinc/83/48/40/608834840.db2.gz BYYRARDEDXGXSK-GFCCVEGCSA-N 1 2 394.414 2.253 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@@H]2C[N@H+](Cc3ccc(N4CCCC4)nc3)CCO2)c1 ZINC000826513322 608855992 /nfs/dbraw/zinc/85/59/92/608855992.db2.gz IJJLCTPIVFSJHR-IBGZPJMESA-N 1 2 391.479 2.435 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)nc3)CCO2)c1 ZINC000826513322 608855995 /nfs/dbraw/zinc/85/59/95/608855995.db2.gz IJJLCTPIVFSJHR-IBGZPJMESA-N 1 2 391.479 2.435 20 0 GEADLO c1nc2c(n1-c1ccccc1)CC[N@@H+](CCOc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826519912 609369554 /nfs/dbraw/zinc/36/95/54/609369554.db2.gz TYELQUWHZBSRGW-UHFFFAOYSA-N 1 2 387.447 2.490 20 0 GEADLO c1nc2c(n1-c1ccccc1)CC[N@H+](CCOc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826519912 609369558 /nfs/dbraw/zinc/36/95/58/609369558.db2.gz TYELQUWHZBSRGW-UHFFFAOYSA-N 1 2 387.447 2.490 20 0 GEADLO OCC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccccc1Br ZINC000826509076 609383921 /nfs/dbraw/zinc/38/39/21/609383921.db2.gz KUXFHGZPEZCZED-ZDUSSCGKSA-N 1 2 378.230 2.436 20 0 GEADLO CC(C)c1nnc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000824364947 609416558 /nfs/dbraw/zinc/41/65/58/609416558.db2.gz WPRVUUHTNVLUNO-AWEZNQCLSA-N 1 2 398.496 2.127 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000824991438 609439665 /nfs/dbraw/zinc/43/96/65/609439665.db2.gz BBPVNOUTGBIQCP-BETUJISGSA-N 1 2 381.440 2.056 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000824991438 609439667 /nfs/dbraw/zinc/43/96/67/609439667.db2.gz BBPVNOUTGBIQCP-BETUJISGSA-N 1 2 381.440 2.056 20 0 GEADLO COc1ccc(F)cc1C[NH+]1CCN(c2nccc(C)c2-c2nn[nH]n2)CC1 ZINC000826209109 609521922 /nfs/dbraw/zinc/52/19/22/609521922.db2.gz NAAMQWIGCYRGSW-UHFFFAOYSA-N 1 2 383.431 2.040 20 0 GEADLO O=C1[C@@H]([NH2+]Cc2csc(C3CC3)n2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476745 609601006 /nfs/dbraw/zinc/60/10/06/609601006.db2.gz OEKCVXGSAPKHDY-INIZCTEOSA-N 1 2 395.492 2.486 20 0 GEADLO CCc1[nH]nc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1Br ZINC000447550385 650007435 /nfs/dbraw/zinc/00/74/35/650007435.db2.gz HMJZOKKMGHMIGH-LBPRGKRZSA-N 1 2 385.306 2.062 20 0 GEADLO CCCC[N@H+](C[C@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000449001735 650029452 /nfs/dbraw/zinc/02/94/52/650029452.db2.gz FSLKUCZFWJRBHM-RDJZCZTQSA-N 1 2 387.567 2.483 20 0 GEADLO CCCC[N@@H+](C[C@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000449001735 650029455 /nfs/dbraw/zinc/02/94/55/650029455.db2.gz FSLKUCZFWJRBHM-RDJZCZTQSA-N 1 2 387.567 2.483 20 0 GEADLO O=C(C[NH+]1CCN(Cc2cccc(F)c2Br)CC1)N1CCCC1 ZINC000449009331 650029705 /nfs/dbraw/zinc/02/97/05/650029705.db2.gz VBFYSZCJVFEPEX-UHFFFAOYSA-N 1 2 384.293 2.328 20 0 GEADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cc(Cl)sc2Cl)CC1 ZINC000449024027 650030110 /nfs/dbraw/zinc/03/01/10/650030110.db2.gz XHHNACXILKWUIF-LBPRGKRZSA-N 1 2 392.352 2.420 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449232531 650035196 /nfs/dbraw/zinc/03/51/96/650035196.db2.gz UMKSOPPXQROGQT-KRWDZBQOSA-N 1 2 379.551 2.442 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449232531 650035198 /nfs/dbraw/zinc/03/51/98/650035198.db2.gz UMKSOPPXQROGQT-KRWDZBQOSA-N 1 2 379.551 2.442 20 0 GEADLO COc1cc(Br)c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1OC ZINC000449960809 650056970 /nfs/dbraw/zinc/05/69/70/650056970.db2.gz RNSOXBWJFJNUOJ-GFCCVEGCSA-N 1 2 399.285 2.013 20 0 GEADLO Cc1ccc(C[C@H](CO)CNc2nc(N(C)C)nc(C)[nH+]2)cc1Br ZINC000450847774 650072536 /nfs/dbraw/zinc/07/25/36/650072536.db2.gz QVHXWKAMRYRBKB-AWEZNQCLSA-N 1 2 394.317 2.580 20 0 GEADLO C[C@H]1C[N@H+](CCO)CCN1c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl ZINC000450952198 650076297 /nfs/dbraw/zinc/07/62/97/650076297.db2.gz HJJQMBNHYYKMJN-LBPRGKRZSA-N 1 2 383.279 2.042 20 0 GEADLO C[C@H]1C[N@@H+](CCO)CCN1c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl ZINC000450952198 650076300 /nfs/dbraw/zinc/07/63/00/650076300.db2.gz HJJQMBNHYYKMJN-LBPRGKRZSA-N 1 2 383.279 2.042 20 0 GEADLO COC(=O)[C@H]1Cc2c(Br)cccc2CN1CC[N@@H+]1CCOC[C@@H]1C ZINC000451274552 650099932 /nfs/dbraw/zinc/09/99/32/650099932.db2.gz FZIYSZHDXVHMGB-SUMWQHHRSA-N 1 2 397.313 2.070 20 0 GEADLO COC(=O)[C@H]1Cc2c(Br)cccc2CN1CC[N@H+]1CCOC[C@@H]1C ZINC000451274552 650099934 /nfs/dbraw/zinc/09/99/34/650099934.db2.gz FZIYSZHDXVHMGB-SUMWQHHRSA-N 1 2 397.313 2.070 20 0 GEADLO CCN(C)C(=O)[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C(C)C ZINC000451318247 650103475 /nfs/dbraw/zinc/10/34/75/650103475.db2.gz XGZYPEVPLKUUJA-HNNXBMFYSA-N 1 2 395.305 2.017 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000451332703 650104613 /nfs/dbraw/zinc/10/46/13/650104613.db2.gz WODOWFVGXWMTGN-OWCLPIDISA-N 1 2 380.501 2.184 20 0 GEADLO O=C1[C@@H]([N@@H+]2CC[C@](O)(C(F)F)C2)CCN1c1cccc(Br)c1 ZINC000451436428 650114002 /nfs/dbraw/zinc/11/40/02/650114002.db2.gz RVUJHWYVTSNXFH-SWLSCSKDSA-N 1 2 375.213 2.256 20 0 GEADLO O=C1[C@@H]([N@H+]2CC[C@](O)(C(F)F)C2)CCN1c1cccc(Br)c1 ZINC000451436428 650114004 /nfs/dbraw/zinc/11/40/04/650114004.db2.gz RVUJHWYVTSNXFH-SWLSCSKDSA-N 1 2 375.213 2.256 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451441278 650114262 /nfs/dbraw/zinc/11/42/62/650114262.db2.gz YILADPXYIMMUQY-ZDUSSCGKSA-N 1 2 383.258 2.171 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451441278 650114266 /nfs/dbraw/zinc/11/42/66/650114266.db2.gz YILADPXYIMMUQY-ZDUSSCGKSA-N 1 2 383.258 2.171 20 0 GEADLO O=S(=O)(NC[C@H]1CCCC[N@H+]1CCO)c1c(Cl)cc(F)cc1Cl ZINC000451673802 650131965 /nfs/dbraw/zinc/13/19/65/650131965.db2.gz WZHQQOFFYFKNGC-LLVKDONJSA-N 1 2 385.288 2.258 20 0 GEADLO O=S(=O)(NC[C@H]1CCCC[N@@H+]1CCO)c1c(Cl)cc(F)cc1Cl ZINC000451673802 650131967 /nfs/dbraw/zinc/13/19/67/650131967.db2.gz WZHQQOFFYFKNGC-LLVKDONJSA-N 1 2 385.288 2.258 20 0 GEADLO Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000451880717 650149574 /nfs/dbraw/zinc/14/95/74/650149574.db2.gz AFJCDZIUDNIECX-CJNGLKHVSA-N 1 2 376.444 2.448 20 0 GEADLO Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000451880717 650149577 /nfs/dbraw/zinc/14/95/77/650149577.db2.gz AFJCDZIUDNIECX-CJNGLKHVSA-N 1 2 376.444 2.448 20 0 GEADLO Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000451880714 650149652 /nfs/dbraw/zinc/14/96/52/650149652.db2.gz AFJCDZIUDNIECX-BBRMVZONSA-N 1 2 376.444 2.448 20 0 GEADLO Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000451880714 650149656 /nfs/dbraw/zinc/14/96/56/650149656.db2.gz AFJCDZIUDNIECX-BBRMVZONSA-N 1 2 376.444 2.448 20 0 GEADLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000451880291 650149683 /nfs/dbraw/zinc/14/96/83/650149683.db2.gz VJKLRWGXRHXZRP-ZDUSSCGKSA-N 1 2 375.460 2.449 20 0 GEADLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000451880291 650149686 /nfs/dbraw/zinc/14/96/86/650149686.db2.gz VJKLRWGXRHXZRP-ZDUSSCGKSA-N 1 2 375.460 2.449 20 0 GEADLO CC1(O)CC(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000451902558 650151436 /nfs/dbraw/zinc/15/14/36/650151436.db2.gz NTKLFULAVASXJG-UHFFFAOYSA-N 1 2 382.258 2.428 20 0 GEADLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000451976539 650159982 /nfs/dbraw/zinc/15/99/82/650159982.db2.gz YNLJEBNWOFTARJ-GFCCVEGCSA-N 1 2 381.420 2.128 20 0 GEADLO C[C@@H](C(=O)N1CC[C@H](c2cccc(Br)c2)C1)[NH+]1CCN(C)CC1 ZINC000452852055 650199462 /nfs/dbraw/zinc/19/94/62/650199462.db2.gz RZYKHSNTKAQLSR-HOCLYGCPSA-N 1 2 380.330 2.401 20 0 GEADLO Cc1cc(C)c(CNC(=O)C(=O)Nc2cc(Br)cnc2C)c[nH+]1 ZINC000454017956 650245977 /nfs/dbraw/zinc/24/59/77/650245977.db2.gz ADTGDPFFBJGSMI-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO C[C@H](CNC(=O)NC/C=C/c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000454244562 650260262 /nfs/dbraw/zinc/26/02/62/650260262.db2.gz JYZFQBRICVBRAK-BAABZTOOSA-N 1 2 382.302 2.482 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000455201395 650294849 /nfs/dbraw/zinc/29/48/49/650294849.db2.gz LEDTYIIHHAREIR-SWLSCSKDSA-N 1 2 392.253 2.239 20 0 GEADLO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000456732940 650361284 /nfs/dbraw/zinc/36/12/84/650361284.db2.gz VAQLNEGISHAVLZ-CYBMUJFWSA-N 1 2 380.286 2.381 20 0 GEADLO Cc1cc(C)c(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c[nH+]1 ZINC000456840769 650364314 /nfs/dbraw/zinc/36/43/14/650364314.db2.gz FCIKTUFENAYVFU-UHFFFAOYSA-N 1 2 381.885 2.289 20 0 GEADLO Cc1c(C(=O)NCCc2cn(C)c[nH+]2)nnn1-c1cccc(Br)c1 ZINC000457866336 650387465 /nfs/dbraw/zinc/38/74/65/650387465.db2.gz VJPVOQFVSTWMAC-UHFFFAOYSA-N 1 2 389.257 2.044 20 0 GEADLO CC(=O)N1CC[NH+](CCNc2ncnc3cc(F)c(Br)cc32)CC1 ZINC000541539225 650386502 /nfs/dbraw/zinc/38/65/02/650386502.db2.gz AKSMRPREKMQBNI-UHFFFAOYSA-N 1 2 396.264 2.107 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458111635 650395551 /nfs/dbraw/zinc/39/55/51/650395551.db2.gz OXORPQDLNMJHGL-LBPRGKRZSA-N 1 2 384.249 2.130 20 0 GEADLO C[C@@H](NC(=O)NCCc1cccc(Br)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000458356041 650400655 /nfs/dbraw/zinc/40/06/55/650400655.db2.gz YQRQUIVQSKRWOB-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H](O)CN(CCO)Cc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000502538469 650408146 /nfs/dbraw/zinc/40/81/46/650408146.db2.gz AQKKQPAEKYNMKH-FMKPAKJESA-N 1 2 391.339 2.258 20 0 GEADLO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nnc(S(C)(=O)=O)s1 ZINC000503200973 650415718 /nfs/dbraw/zinc/41/57/18/650415718.db2.gz XKBUEKIJAMYDGS-TVQRCGJNSA-N 1 2 375.903 2.461 20 0 GEADLO O=C(Cc1c(F)ccc(Br)c1F)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000503611609 650420535 /nfs/dbraw/zinc/42/05/35/650420535.db2.gz BDAMHIDYBIRPAJ-NSHDSACASA-N 1 2 389.240 2.249 20 0 GEADLO O=C(Cc1c(F)ccc(Br)c1F)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000503611609 650420536 /nfs/dbraw/zinc/42/05/36/650420536.db2.gz BDAMHIDYBIRPAJ-NSHDSACASA-N 1 2 389.240 2.249 20 0 GEADLO CCc1[nH]nc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)c1Br ZINC000543647797 650425780 /nfs/dbraw/zinc/42/57/80/650425780.db2.gz YWUAPVMDUWLRPZ-UHFFFAOYSA-N 1 2 395.305 2.319 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cccc(O)c3Br)C2)nn1 ZINC000459487431 650425894 /nfs/dbraw/zinc/42/58/94/650425894.db2.gz XOHKSTCTQJVBDV-GFCCVEGCSA-N 1 2 395.257 2.370 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cccc(O)c3Br)C2)nn1 ZINC000459487431 650425895 /nfs/dbraw/zinc/42/58/95/650425895.db2.gz XOHKSTCTQJVBDV-GFCCVEGCSA-N 1 2 395.257 2.370 20 0 GEADLO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000459858622 650434024 /nfs/dbraw/zinc/43/40/24/650434024.db2.gz RITWZMHCINEEPD-LBPRGKRZSA-N 1 2 380.901 2.500 20 0 GEADLO CSC[C@H](C)NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000505496998 650438015 /nfs/dbraw/zinc/43/80/15/650438015.db2.gz VYXGJBJSOQXADM-AWEZNQCLSA-N 1 2 383.945 2.242 20 0 GEADLO CSC[C@H](C)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000505496998 650438016 /nfs/dbraw/zinc/43/80/16/650438016.db2.gz VYXGJBJSOQXADM-AWEZNQCLSA-N 1 2 383.945 2.242 20 0 GEADLO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505460090 650438039 /nfs/dbraw/zinc/43/80/39/650438039.db2.gz LFBKTZGAGCJUJA-WBVHZDCISA-N 1 2 388.265 2.321 20 0 GEADLO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000505557081 650438805 /nfs/dbraw/zinc/43/88/05/650438805.db2.gz GIFXBAFQCJLPKD-DOTOQJQBSA-N 1 2 388.265 2.321 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2n1)N1CCn2c[nH+]cc2C1 ZINC000460102917 650439264 /nfs/dbraw/zinc/43/92/64/650439264.db2.gz HPDGSILCSLGUQA-UHFFFAOYSA-N 1 2 375.230 2.019 20 0 GEADLO COCCCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000505704108 650440084 /nfs/dbraw/zinc/44/00/84/650440084.db2.gz AIJOUWDULFSAOT-UHFFFAOYSA-N 1 2 385.262 2.487 20 0 GEADLO COc1cc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc(Cl)c1OC ZINC000507167642 650454887 /nfs/dbraw/zinc/45/48/87/650454887.db2.gz NENFEFBVKRKFFM-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO COc1cc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc(Cl)c1OC ZINC000507167642 650454890 /nfs/dbraw/zinc/45/48/90/650454890.db2.gz NENFEFBVKRKFFM-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000507967975 650471033 /nfs/dbraw/zinc/47/10/33/650471033.db2.gz ISFBZKBXYQTRRY-IUCAKERBSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000507967975 650471035 /nfs/dbraw/zinc/47/10/35/650471035.db2.gz ISFBZKBXYQTRRY-IUCAKERBSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(I)c1 ZINC000507965844 650470832 /nfs/dbraw/zinc/47/08/32/650470832.db2.gz OQXVCXOADJCSAH-WDEREUQCSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(I)c1 ZINC000507965844 650470833 /nfs/dbraw/zinc/47/08/33/650470833.db2.gz OQXVCXOADJCSAH-WDEREUQCSA-N 1 2 394.278 2.004 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1Cl ZINC000507964334 650470836 /nfs/dbraw/zinc/47/08/36/650470836.db2.gz JQUPSEHFLQEUIT-NXEZZACHSA-N 1 2 377.869 2.151 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1Cl ZINC000507964334 650470838 /nfs/dbraw/zinc/47/08/38/650470838.db2.gz JQUPSEHFLQEUIT-NXEZZACHSA-N 1 2 377.869 2.151 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000507886831 650468986 /nfs/dbraw/zinc/46/89/86/650468986.db2.gz IPAWBJVUMJBYHE-NEPJUHHUSA-N 1 2 391.331 2.479 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000507886831 650468989 /nfs/dbraw/zinc/46/89/89/650468989.db2.gz IPAWBJVUMJBYHE-NEPJUHHUSA-N 1 2 391.331 2.479 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000507892706 650469256 /nfs/dbraw/zinc/46/92/56/650469256.db2.gz WOZZMBNGVMPCDI-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000507892706 650469258 /nfs/dbraw/zinc/46/92/58/650469258.db2.gz WOZZMBNGVMPCDI-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1Br ZINC000507935072 650469878 /nfs/dbraw/zinc/46/98/78/650469878.db2.gz JABTUDQMHTUKBX-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1Br ZINC000507935072 650469880 /nfs/dbraw/zinc/46/98/80/650469880.db2.gz JABTUDQMHTUKBX-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Br)cn1)c1ccsc1 ZINC000462433149 650479344 /nfs/dbraw/zinc/47/93/44/650479344.db2.gz QZTDPNWTLWXIBK-LBPRGKRZSA-N 1 2 390.328 2.487 20 0 GEADLO Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508979493 650485285 /nfs/dbraw/zinc/48/52/85/650485285.db2.gz LFVFSRCJJRZXEL-OAHLLOKOSA-N 1 2 392.301 2.156 20 0 GEADLO C[C@@H]1c2cccc(Br)c2CCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000509227495 650490617 /nfs/dbraw/zinc/49/06/17/650490617.db2.gz NJEHMINXUXGQGM-OLZOCXBDSA-N 1 2 382.302 2.408 20 0 GEADLO C[C@@H]1c2cccc(Br)c2CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000509227495 650490618 /nfs/dbraw/zinc/49/06/18/650490618.db2.gz NJEHMINXUXGQGM-OLZOCXBDSA-N 1 2 382.302 2.408 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000463346947 650493713 /nfs/dbraw/zinc/49/37/13/650493713.db2.gz VOKXBXZRHZXGAG-OAHLLOKOSA-N 1 2 380.432 2.322 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCc1c(Cl)cccc1Cl ZINC000463348057 650493776 /nfs/dbraw/zinc/49/37/76/650493776.db2.gz HCXQEOPDTDEQTM-UHFFFAOYSA-N 1 2 381.325 2.178 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000510041320 650505736 /nfs/dbraw/zinc/50/57/36/650505736.db2.gz KOGBYDQBTLKAGR-UHFFFAOYSA-N 1 2 395.308 2.495 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000510041320 650505739 /nfs/dbraw/zinc/50/57/39/650505739.db2.gz KOGBYDQBTLKAGR-UHFFFAOYSA-N 1 2 395.308 2.495 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000510258431 650509395 /nfs/dbraw/zinc/50/93/95/650509395.db2.gz OITICTFQHITALM-UHFFFAOYSA-N 1 2 379.551 2.495 20 0 GEADLO C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C1(S(C)(=O)=O)CC1 ZINC000510262351 650509572 /nfs/dbraw/zinc/50/95/72/650509572.db2.gz SVPJYICJTBYPAK-DOMZBBRYSA-N 1 2 387.933 2.208 20 0 GEADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccccc1SCC(N)=O ZINC000470949168 650517391 /nfs/dbraw/zinc/51/73/91/650517391.db2.gz VUSVJCYGKNXVPZ-QWRGUYRKSA-N 1 2 375.416 2.475 20 0 GEADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccccc1SCC(N)=O ZINC000470949168 650517393 /nfs/dbraw/zinc/51/73/93/650517393.db2.gz VUSVJCYGKNXVPZ-QWRGUYRKSA-N 1 2 375.416 2.475 20 0 GEADLO CCN(C)C(=O)[C@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000474097660 650527139 /nfs/dbraw/zinc/52/71/39/650527139.db2.gz RUKVSILWTYLYBO-GWCFXTLKSA-N 1 2 389.315 2.124 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000475395781 650532623 /nfs/dbraw/zinc/53/26/23/650532623.db2.gz FYOQDRQJMPLTRX-UHFFFAOYSA-N 1 2 379.825 2.253 20 0 GEADLO O=S(=O)(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)NC1CC1 ZINC000475534861 650535344 /nfs/dbraw/zinc/53/53/44/650535344.db2.gz VZCXFIPTMKVVDR-KRWDZBQOSA-N 1 2 377.535 2.434 20 0 GEADLO O=S(=O)(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)NC1CC1 ZINC000475534861 650535347 /nfs/dbraw/zinc/53/53/47/650535347.db2.gz VZCXFIPTMKVVDR-KRWDZBQOSA-N 1 2 377.535 2.434 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@@H+](C)[C@@H]3CCN(C)C3=O)C2=O)ccc1Br ZINC000511593900 650539025 /nfs/dbraw/zinc/53/90/25/650539025.db2.gz MPOUWNLMTAAHQR-JKSUJKDBSA-N 1 2 394.313 2.415 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2=O)ccc1Br ZINC000511593900 650539030 /nfs/dbraw/zinc/53/90/30/650539030.db2.gz MPOUWNLMTAAHQR-JKSUJKDBSA-N 1 2 394.313 2.415 20 0 GEADLO CC[C@@H]1CN(CC[C@H](C)[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@@]1=O ZINC000512470498 650549497 /nfs/dbraw/zinc/54/94/97/650549497.db2.gz YUNBMSMOVCFIPB-YZIIXHOYSA-N 1 2 376.632 2.228 20 0 GEADLO CC[C@@H]1CN(CC[C@H](C)[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@@]1=O ZINC000512470498 650549500 /nfs/dbraw/zinc/54/95/00/650549500.db2.gz YUNBMSMOVCFIPB-YZIIXHOYSA-N 1 2 376.632 2.228 20 0 GEADLO CC[C@@H]1CN([C@@H](C)CC[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@@]1=O ZINC000512470498 650549503 /nfs/dbraw/zinc/54/95/03/650549503.db2.gz YUNBMSMOVCFIPB-YZIIXHOYSA-N 1 2 376.632 2.228 20 0 GEADLO CC[C@@H]1CN([C@@H](C)CC[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@@]1=O ZINC000512470498 650549506 /nfs/dbraw/zinc/54/95/06/650549506.db2.gz YUNBMSMOVCFIPB-YZIIXHOYSA-N 1 2 376.632 2.228 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000512650672 650552230 /nfs/dbraw/zinc/55/22/30/650552230.db2.gz FGNUVQJWJURXJN-XJKSGUPXSA-N 1 2 385.302 2.299 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000512650672 650552233 /nfs/dbraw/zinc/55/22/33/650552233.db2.gz FGNUVQJWJURXJN-XJKSGUPXSA-N 1 2 385.302 2.299 20 0 GEADLO CCC(CC)(NC(=O)C1C[NH+](Cc2ccc(Br)cc2C)C1)C(N)=O ZINC000513262364 650560763 /nfs/dbraw/zinc/56/07/63/650560763.db2.gz RXHXIJIFLXNMDA-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO COC(=O)[C@@H]([NH2+]CCCNC(=O)c1cc(OC)ccc1Br)C1CC1 ZINC000513449675 650563195 /nfs/dbraw/zinc/56/31/95/650563195.db2.gz ZJJDFEFKGIBNNB-HNNXBMFYSA-N 1 2 399.285 2.119 20 0 GEADLO COC(=O)[C@H]([NH2+]CCCNC(=O)c1cc(OC)ccc1Br)C1CC1 ZINC000513449676 650563234 /nfs/dbraw/zinc/56/32/34/650563234.db2.gz ZJJDFEFKGIBNNB-OAHLLOKOSA-N 1 2 399.285 2.119 20 0 GEADLO [NH3+][C@@H](C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)c1cscn1 ZINC000514930765 650583571 /nfs/dbraw/zinc/58/35/71/650583571.db2.gz QQZVZBVLUHYCPB-CQSZACIVSA-N 1 2 392.531 2.404 20 0 GEADLO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000515206848 650589550 /nfs/dbraw/zinc/58/95/50/650589550.db2.gz UOGHEIBSAHKGFY-LLVKDONJSA-N 1 2 375.372 2.204 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000518184790 650602500 /nfs/dbraw/zinc/60/25/00/650602500.db2.gz GGQATNXROUAXRK-SNVBAGLBSA-N 1 2 389.649 2.330 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)Cc2cc(Cl)ccc2Br)c1 ZINC000518763873 650607347 /nfs/dbraw/zinc/60/73/47/650607347.db2.gz DKSYZSCKERRSDL-UHFFFAOYSA-N 1 2 392.706 2.498 20 0 GEADLO CCS[C@@H]1CCCC[N@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000480894757 650637027 /nfs/dbraw/zinc/63/70/27/650637027.db2.gz RJCGUTXYLUAYMU-MRXNPFEDSA-N 1 2 384.567 2.314 20 0 GEADLO CCS[C@@H]1CCCC[N@@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000480894757 650637029 /nfs/dbraw/zinc/63/70/29/650637029.db2.gz RJCGUTXYLUAYMU-MRXNPFEDSA-N 1 2 384.567 2.314 20 0 GEADLO Cc1ccc(OCCC(=O)NCC[N@@H+]2CCO[C@H](C)C2)c(Br)c1 ZINC000523748201 650638005 /nfs/dbraw/zinc/63/80/05/650638005.db2.gz NKFSRZMHWFMAAE-CQSZACIVSA-N 1 2 385.302 2.363 20 0 GEADLO Cc1ccc(OCCC(=O)NCC[N@H+]2CCO[C@H](C)C2)c(Br)c1 ZINC000523748201 650638009 /nfs/dbraw/zinc/63/80/09/650638009.db2.gz NKFSRZMHWFMAAE-CQSZACIVSA-N 1 2 385.302 2.363 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000523736689 650638080 /nfs/dbraw/zinc/63/80/80/650638080.db2.gz RIYSNJAJKWNKMY-UHFFFAOYSA-N 1 2 377.447 2.199 20 0 GEADLO Cc1c(C(=O)N2CC(n3cc[nH+]c3)C2)nnn1-c1cccc(Br)c1 ZINC000524398550 650640850 /nfs/dbraw/zinc/64/08/50/650640850.db2.gz ZCSOPLTUXTXUHG-UHFFFAOYSA-N 1 2 387.241 2.232 20 0 GEADLO C[C@@H](CNC(=O)CCCOc1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000524386875 650640889 /nfs/dbraw/zinc/64/08/89/650640889.db2.gz GQSLVKLRMHKVEW-HNNXBMFYSA-N 1 2 398.345 2.360 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc(F)cc1Br)Cn1cc[nH+]c1 ZINC000481440406 650646490 /nfs/dbraw/zinc/64/64/90/650646490.db2.gz SZYGOMGRAYFTPQ-SNVBAGLBSA-N 1 2 376.251 2.399 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000526000874 650662763 /nfs/dbraw/zinc/66/27/63/650662763.db2.gz WUUORYWTXCGQPB-UHFFFAOYSA-N 1 2 393.285 2.052 20 0 GEADLO O=C(CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)Nc1cc(Cl)ccc1Cl ZINC000525989178 650662816 /nfs/dbraw/zinc/66/28/16/650662816.db2.gz UMUVIMLACMBYRT-NSHDSACASA-N 1 2 382.251 2.443 20 0 GEADLO O=C(Cc1cc2c(cc1Br)OCCO2)N1CC(n2cc[nH+]c2)C1 ZINC000526131693 650664234 /nfs/dbraw/zinc/66/42/34/650664234.db2.gz FUROUGNIQWIMMA-UHFFFAOYSA-N 1 2 378.226 2.043 20 0 GEADLO CC(C)[C@@H](CC(F)(F)F)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000527335587 650673224 /nfs/dbraw/zinc/67/32/24/650673224.db2.gz KWZIVWSNGGBYMZ-HIFRSBDPSA-N 1 2 383.480 2.471 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+]Cc3ncc(Cl)cc3Br)C2=O)n(C)n1 ZINC000527664945 650681542 /nfs/dbraw/zinc/68/15/42/650681542.db2.gz DFPGFTWCNCXQQP-LBPRGKRZSA-N 1 2 398.692 2.435 20 0 GEADLO C[C@]1(Br)C[C@@H]1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000528218280 650686774 /nfs/dbraw/zinc/68/67/74/650686774.db2.gz QABGYOVJZUODTQ-AEFFLSMTSA-N 1 2 397.313 2.187 20 0 GEADLO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528358474 650690684 /nfs/dbraw/zinc/69/06/84/650690684.db2.gz WVWFITYICBCTLK-CYBMUJFWSA-N 1 2 387.307 2.417 20 0 GEADLO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528350242 650689996 /nfs/dbraw/zinc/68/99/96/650689996.db2.gz MIKQDUPRBBEUKW-CQSZACIVSA-N 1 2 387.307 2.417 20 0 GEADLO CNC(=O)Cc1nc(C[NH+]2CCC(n3cc(Br)cn3)CC2)cs1 ZINC000485044532 650692432 /nfs/dbraw/zinc/69/24/32/650692432.db2.gz PRPSCYMUBBLBHZ-UHFFFAOYSA-N 1 2 398.330 2.228 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000528536528 650695093 /nfs/dbraw/zinc/69/50/93/650695093.db2.gz MUKJYEHWENABRH-UHFFFAOYSA-N 1 2 376.881 2.355 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1Cl ZINC000528534853 650695103 /nfs/dbraw/zinc/69/51/03/650695103.db2.gz JAFCEVSBYYREHV-UHFFFAOYSA-N 1 2 388.917 2.224 20 0 GEADLO Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c(Br)c1 ZINC000529750004 650706138 /nfs/dbraw/zinc/70/61/38/650706138.db2.gz CEJDDWXHGHRLIE-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c(Br)c1 ZINC000529750004 650706141 /nfs/dbraw/zinc/70/61/41/650706141.db2.gz CEJDDWXHGHRLIE-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531079295 650734326 /nfs/dbraw/zinc/73/43/26/650734326.db2.gz XJHOOUNIAGFZRZ-CJNGLKHVSA-N 1 2 389.949 2.407 20 0 GEADLO CC(C)[C@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000487940765 650739900 /nfs/dbraw/zinc/73/99/00/650739900.db2.gz CELDVXOLUYLOCI-MRXNPFEDSA-N 1 2 389.359 2.495 20 0 GEADLO CC(C)[C@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CC[N@H+]1C ZINC000487940765 650739901 /nfs/dbraw/zinc/73/99/01/650739901.db2.gz CELDVXOLUYLOCI-MRXNPFEDSA-N 1 2 389.359 2.495 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000487951938 650740079 /nfs/dbraw/zinc/74/00/79/650740079.db2.gz IDSNFQOYYCWEQZ-MRXNPFEDSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000487951938 650740081 /nfs/dbraw/zinc/74/00/81/650740081.db2.gz IDSNFQOYYCWEQZ-MRXNPFEDSA-N 1 2 390.933 2.221 20 0 GEADLO COCCSCCC[NH+]1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000488182773 650742383 /nfs/dbraw/zinc/74/23/83/650742383.db2.gz MHDNGKYADKVYSD-UHFFFAOYSA-N 1 2 392.612 2.441 20 0 GEADLO COC(=O)CN(CCc1cc(Cl)ccc1Cl)CC[NH+]1CCOCC1 ZINC000488398505 650745443 /nfs/dbraw/zinc/74/54/43/650745443.db2.gz NUZDHDVOJPZOBK-UHFFFAOYSA-N 1 2 375.296 2.343 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000488517246 650746960 /nfs/dbraw/zinc/74/69/60/650746960.db2.gz CPCWXLBTLORUGH-INIZCTEOSA-N 1 2 387.571 2.283 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000488517246 650746961 /nfs/dbraw/zinc/74/69/61/650746961.db2.gz CPCWXLBTLORUGH-INIZCTEOSA-N 1 2 387.571 2.283 20 0 GEADLO O=C(COC(=O)c1ccnc(Cl)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000031051030 642478822 /nfs/dbraw/zinc/47/88/22/642478822.db2.gz ZYILCQLHIDWUTQ-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(C(F)(F)F)nc1 ZINC000031937262 642492236 /nfs/dbraw/zinc/49/22/36/642492236.db2.gz VRBDKWBSAMXZGI-HNNXBMFYSA-N 1 2 375.416 2.038 20 0 GEADLO C[C@@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F)[NH+]1CCSCC1 ZINC000532759415 650752615 /nfs/dbraw/zinc/75/26/15/650752615.db2.gz HNRQNLDOYQXHCG-WFASDCNBSA-N 1 2 383.514 2.103 20 0 GEADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCOCC1 ZINC000041281103 642528037 /nfs/dbraw/zinc/52/80/37/642528037.db2.gz HWCGFMRDXQLHMP-OAHLLOKOSA-N 1 2 388.295 2.405 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)N[C@@H](C)CCCC(C)C)CC1 ZINC000042134129 642542810 /nfs/dbraw/zinc/54/28/10/642542810.db2.gz CZCUNBIILUGGDJ-INIZCTEOSA-N 1 2 375.579 2.111 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000042134107 642543143 /nfs/dbraw/zinc/54/31/43/642543143.db2.gz AZZVMGUBVIEPGW-UHFFFAOYSA-N 1 2 388.917 2.405 20 0 GEADLO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000042641487 642554475 /nfs/dbraw/zinc/55/44/75/642554475.db2.gz SVAZAWIHDDEJOK-ZIAGYGMSSA-N 1 2 387.571 2.184 20 0 GEADLO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCCn1cc[nH+]c1 ZINC000043947300 642566378 /nfs/dbraw/zinc/56/63/78/642566378.db2.gz CSFZUJLQSLROHH-OAHLLOKOSA-N 1 2 393.285 2.216 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000533547725 650761927 /nfs/dbraw/zinc/76/19/27/650761927.db2.gz JFEATGXKOGZZOR-DOMZBBRYSA-N 1 2 392.253 2.239 20 0 GEADLO COCC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCOC1 ZINC000490051950 650767231 /nfs/dbraw/zinc/76/72/31/650767231.db2.gz DJTONZZFRIKLAJ-LLVKDONJSA-N 1 2 393.228 2.403 20 0 GEADLO COCC[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCOC1 ZINC000490051950 650767237 /nfs/dbraw/zinc/76/72/37/650767237.db2.gz DJTONZZFRIKLAJ-LLVKDONJSA-N 1 2 393.228 2.403 20 0 GEADLO O=C(NCCn1cc[nH+]c1)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000533578568 650762888 /nfs/dbraw/zinc/76/28/88/650762888.db2.gz RGVVUPGPFVRPSS-INIZCTEOSA-N 1 2 383.279 2.380 20 0 GEADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000045797330 642596894 /nfs/dbraw/zinc/59/68/94/642596894.db2.gz IRYPETOYEITABF-ZDUSSCGKSA-N 1 2 386.857 2.301 20 0 GEADLO COc1cc(F)c(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000045809511 642598185 /nfs/dbraw/zinc/59/81/85/642598185.db2.gz AQXNJEMGKBSNLA-CYBMUJFWSA-N 1 2 388.486 2.486 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000046052283 642602759 /nfs/dbraw/zinc/60/27/59/642602759.db2.gz KBDVUCPFTIJSQL-UHFFFAOYSA-N 1 2 396.329 2.465 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000046052283 642602765 /nfs/dbraw/zinc/60/27/65/642602765.db2.gz KBDVUCPFTIJSQL-UHFFFAOYSA-N 1 2 396.329 2.465 20 0 GEADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000046052901 642602854 /nfs/dbraw/zinc/60/28/54/642602854.db2.gz PMZPASGYYWYXQV-UHFFFAOYSA-N 1 2 383.945 2.491 20 0 GEADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000046052901 642602857 /nfs/dbraw/zinc/60/28/57/642602857.db2.gz PMZPASGYYWYXQV-UHFFFAOYSA-N 1 2 383.945 2.491 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)NCC(F)(F)F ZINC000047262341 642625662 /nfs/dbraw/zinc/62/56/62/642625662.db2.gz YWJQYNSEMLZHSO-SNVBAGLBSA-N 1 2 378.782 2.064 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)NCC(F)(F)F ZINC000047262341 642625671 /nfs/dbraw/zinc/62/56/71/642625671.db2.gz YWJQYNSEMLZHSO-SNVBAGLBSA-N 1 2 378.782 2.064 20 0 GEADLO COCC[N@H+](CC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCOC1 ZINC000490080443 650767839 /nfs/dbraw/zinc/76/78/39/650767839.db2.gz OJNGUQHQKCRKMF-GFCCVEGCSA-N 1 2 375.238 2.264 20 0 GEADLO COCC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCOC1 ZINC000490080443 650767841 /nfs/dbraw/zinc/76/78/41/650767841.db2.gz OJNGUQHQKCRKMF-GFCCVEGCSA-N 1 2 375.238 2.264 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000534502372 650776180 /nfs/dbraw/zinc/77/61/80/650776180.db2.gz KLQFFKFSXSNHKY-SNVBAGLBSA-N 1 2 395.232 2.276 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052694027 642725266 /nfs/dbraw/zinc/72/52/66/642725266.db2.gz FSJIQOOQCXNGQN-ZIAGYGMSSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052694027 642725273 /nfs/dbraw/zinc/72/52/73/642725273.db2.gz FSJIQOOQCXNGQN-ZIAGYGMSSA-N 1 2 387.933 2.237 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(Br)cc2cccnc21 ZINC000534652218 650779512 /nfs/dbraw/zinc/77/95/12/650779512.db2.gz XXAIHUWETWNTNN-GFCCVEGCSA-N 1 2 378.270 2.448 20 0 GEADLO Cc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1Br ZINC000054704939 642756528 /nfs/dbraw/zinc/75/65/28/642756528.db2.gz KSIUEVXXHKVOCC-UHFFFAOYSA-N 1 2 393.285 2.243 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000491885381 650789085 /nfs/dbraw/zinc/78/90/85/650789085.db2.gz CBBOPXKQYWVWJC-LLVKDONJSA-N 1 2 387.303 2.300 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)N(CCO)Cc1cc(Br)cs1 ZINC000491893582 650789279 /nfs/dbraw/zinc/78/92/79/650789279.db2.gz PJKIKHZCGZBFCN-UHFFFAOYSA-N 1 2 387.303 2.301 20 0 GEADLO O=C(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000056511940 642795074 /nfs/dbraw/zinc/79/50/74/642795074.db2.gz WMDNMFYKYBKEQI-ZDUSSCGKSA-N 1 2 383.279 2.009 20 0 GEADLO CCC[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)CC(=O)N(C)C ZINC000056510973 642795187 /nfs/dbraw/zinc/79/51/87/642795187.db2.gz QMXPFVHBWUYOCY-CYBMUJFWSA-N 1 2 384.318 2.427 20 0 GEADLO CCC[N@@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)CC(=O)N(C)C ZINC000056510973 642795190 /nfs/dbraw/zinc/79/51/90/642795190.db2.gz QMXPFVHBWUYOCY-CYBMUJFWSA-N 1 2 384.318 2.427 20 0 GEADLO COc1cc(Br)c(CN2CC[NH+](Cc3cnn(C)c3)CC2)cc1O ZINC000491112416 650783314 /nfs/dbraw/zinc/78/33/14/650783314.db2.gz ISIJRHSVTXAKBD-UHFFFAOYSA-N 1 2 395.301 2.215 20 0 GEADLO O=C(CCOc1ccc(Cl)cc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000057210713 642808791 /nfs/dbraw/zinc/80/87/91/642808791.db2.gz YLWSPBURICHVLC-SFHVURJKSA-N 1 2 384.929 2.433 20 0 GEADLO COc1cc(C[NH+]2CCN(c3nc(N)ns3)CC2)c(SC)cc1OC ZINC000535801387 650790728 /nfs/dbraw/zinc/79/07/28/650790728.db2.gz LBYAGIUPQGWXQE-UHFFFAOYSA-N 1 2 381.527 2.182 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000535808635 650790965 /nfs/dbraw/zinc/79/09/65/650790965.db2.gz PHCXRLWSOJSFOD-HZPDHXFCSA-N 1 2 388.917 2.021 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000535808635 650790967 /nfs/dbraw/zinc/79/09/67/650790967.db2.gz PHCXRLWSOJSFOD-HZPDHXFCSA-N 1 2 388.917 2.021 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCc1cc(Br)ccc1F ZINC000065698803 642885656 /nfs/dbraw/zinc/88/56/56/642885656.db2.gz QBSVTUQCIULSNR-GFCCVEGCSA-N 1 2 388.281 2.151 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000066871653 642944034 /nfs/dbraw/zinc/94/40/34/642944034.db2.gz ALHQGSMNTGJGOC-UHFFFAOYSA-N 1 2 377.447 2.199 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCc2cccc(Br)c2C1 ZINC000493945375 650799363 /nfs/dbraw/zinc/79/93/63/650799363.db2.gz QMEJUFMRUTUWKR-OAHLLOKOSA-N 1 2 394.313 2.380 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCc2cccc(Br)c2C1 ZINC000493945375 650799369 /nfs/dbraw/zinc/79/93/69/650799369.db2.gz QMEJUFMRUTUWKR-OAHLLOKOSA-N 1 2 394.313 2.380 20 0 GEADLO Cn1c(=O)cc(C[N@H+](C)Cc2cc(Br)ccc2Cl)n(C)c1=O ZINC000494269531 650803344 /nfs/dbraw/zinc/80/33/44/650803344.db2.gz ZDZUFIHABCEOBG-UHFFFAOYSA-N 1 2 386.677 2.132 20 0 GEADLO Cn1c(=O)cc(C[N@@H+](C)Cc2cc(Br)ccc2Cl)n(C)c1=O ZINC000494269531 650803346 /nfs/dbraw/zinc/80/33/46/650803346.db2.gz ZDZUFIHABCEOBG-UHFFFAOYSA-N 1 2 386.677 2.132 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCCC[C@H]2CCSS2)CC1 ZINC000068506799 643004156 /nfs/dbraw/zinc/00/41/56/643004156.db2.gz FOQGZJWQYPBKGR-HNNXBMFYSA-N 1 2 394.628 2.326 20 0 GEADLO COc1nc(N2CC[NH+](Cc3scnc3C)CC2)ncc1Br ZINC000093079426 643075075 /nfs/dbraw/zinc/07/50/75/643075075.db2.gz RDXZXAPSRBFJDX-UHFFFAOYSA-N 1 2 384.303 2.335 20 0 GEADLO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](CCCN2CCOCC2)CC1 ZINC000097727465 643098949 /nfs/dbraw/zinc/09/89/49/643098949.db2.gz URIJNDFSLNEGBV-UHFFFAOYSA-N 1 2 386.323 2.474 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)Cc2ccc(Cl)nc2)C[C@H](C)O1 ZINC000101574563 643109713 /nfs/dbraw/zinc/10/97/13/643109713.db2.gz VVKLZNFTQRZJME-LZWOXQAQSA-N 1 2 387.933 2.138 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)Cc2ccc(Cl)nc2)C[C@H](C)O1 ZINC000101574563 643109716 /nfs/dbraw/zinc/10/97/16/643109716.db2.gz VVKLZNFTQRZJME-LZWOXQAQSA-N 1 2 387.933 2.138 20 0 GEADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000104064934 643176776 /nfs/dbraw/zinc/17/67/76/643176776.db2.gz GIDSOKKZRUHSLL-UHFFFAOYSA-N 1 2 382.917 2.335 20 0 GEADLO C[C@H](NC(=O)NCc1cc(Br)cs1)[C@H](C)[NH+]1CCOCC1 ZINC000105152474 643200614 /nfs/dbraw/zinc/20/06/14/643200614.db2.gz YANFBHJJQKTAAF-QWRGUYRKSA-N 1 2 376.320 2.419 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000105610242 643211583 /nfs/dbraw/zinc/21/15/83/643211583.db2.gz LEKBDKRBIVPUCD-OAHLLOKOSA-N 1 2 382.302 2.008 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000105610242 643211585 /nfs/dbraw/zinc/21/15/85/643211585.db2.gz LEKBDKRBIVPUCD-OAHLLOKOSA-N 1 2 382.302 2.008 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1cc(Br)cs1 ZINC000106580144 643234365 /nfs/dbraw/zinc/23/43/65/643234365.db2.gz BSKMAVICAYPBMR-GFCCVEGCSA-N 1 2 389.363 2.288 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000109337908 643293495 /nfs/dbraw/zinc/29/34/95/643293495.db2.gz FZSBMAKSZGCVLE-UHFFFAOYSA-N 1 2 382.507 2.403 20 0 GEADLO O=C(CNC(=O)OCC(F)(F)F)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000110657442 643316548 /nfs/dbraw/zinc/31/65/48/643316548.db2.gz FQFRGLXSXIBXDS-UHFFFAOYSA-N 1 2 380.392 2.356 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](Cc2cccc(OC(F)F)c2)C[C@@H]2CCCO2)C1 ZINC000111233078 643330065 /nfs/dbraw/zinc/33/00/65/643330065.db2.gz LSTICTAFLKXOMU-ZBFHGGJFSA-N 1 2 375.437 2.456 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2cccc(OC(F)F)c2)C[C@@H]2CCCO2)C1 ZINC000111233078 643330070 /nfs/dbraw/zinc/33/00/70/643330070.db2.gz LSTICTAFLKXOMU-ZBFHGGJFSA-N 1 2 375.437 2.456 20 0 GEADLO O=C(CCC[S@@](=O)c1ccc(Br)cc1)NCCn1cc[nH+]c1 ZINC000111566111 643341759 /nfs/dbraw/zinc/34/17/59/643341759.db2.gz NTGHSNIRWJTASE-QFIPXVFZSA-N 1 2 384.299 2.350 20 0 GEADLO O=C(CCC[S@](=O)c1ccc(Br)cc1)NCCn1cc[nH+]c1 ZINC000111566109 643342009 /nfs/dbraw/zinc/34/20/09/643342009.db2.gz NTGHSNIRWJTASE-JOCHJYFZSA-N 1 2 384.299 2.350 20 0 GEADLO COCC[N@H+](CCC(=O)OC)CC(=O)Nc1ccc(Br)cc1C ZINC000113255340 643386181 /nfs/dbraw/zinc/38/61/81/643386181.db2.gz LYNQCKUVTBJRFB-UHFFFAOYSA-N 1 2 387.274 2.208 20 0 GEADLO COCC[N@@H+](CCC(=O)OC)CC(=O)Nc1ccc(Br)cc1C ZINC000113255340 643386187 /nfs/dbraw/zinc/38/61/87/643386187.db2.gz LYNQCKUVTBJRFB-UHFFFAOYSA-N 1 2 387.274 2.208 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)CS(=O)(=O)CC)c1ccsc1 ZINC000113590850 643400834 /nfs/dbraw/zinc/40/08/34/643400834.db2.gz ZQAPSKUZHSDMME-DZGCQCFKSA-N 1 2 375.560 2.253 20 0 GEADLO O=C(C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000114347051 643414338 /nfs/dbraw/zinc/41/43/38/643414338.db2.gz NOBJBIJASZIELM-AWEZNQCLSA-N 1 2 395.297 2.203 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000114674507 643423494 /nfs/dbraw/zinc/42/34/94/643423494.db2.gz RAFVHPGGDFJQOU-HNNXBMFYSA-N 1 2 378.885 2.258 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)NCCCNc2cccc[nH+]2)ccc1Cl ZINC000115160198 643431040 /nfs/dbraw/zinc/43/10/40/643431040.db2.gz JTFRVWLQJFMXCG-UHFFFAOYSA-N 1 2 382.873 2.339 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCc3cccc(Br)c3C2)C[C@H](C)O1 ZINC000118446734 643513060 /nfs/dbraw/zinc/51/30/60/643513060.db2.gz OWYUPHXDIYLTKP-IJEWVQPXSA-N 1 2 383.330 2.277 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCc3cccc(Br)c3C2)C[C@H](C)O1 ZINC000118446734 643513064 /nfs/dbraw/zinc/51/30/64/643513064.db2.gz OWYUPHXDIYLTKP-IJEWVQPXSA-N 1 2 383.330 2.277 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNc1[nH+]cnc2c1cnn2C ZINC000119233061 643543919 /nfs/dbraw/zinc/54/39/19/643543919.db2.gz ZMEPBRSQUZDOJW-UHFFFAOYSA-N 1 2 375.230 2.485 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2csc(Br)c2)C[C@H]1C ZINC000539781230 650850174 /nfs/dbraw/zinc/85/01/74/650850174.db2.gz SMDVAYMMEIUMNF-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2csc(Br)c2)C[C@H]1C ZINC000539781230 650850177 /nfs/dbraw/zinc/85/01/77/650850177.db2.gz SMDVAYMMEIUMNF-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO O=S(=O)(c1cccc2c1N=S=N2)N1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000120751474 643623784 /nfs/dbraw/zinc/62/37/84/643623784.db2.gz YRSRUDYSUNEXBD-KBPBESRZSA-N 1 2 382.511 2.023 20 0 GEADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CSCCS1 ZINC000120940588 643626821 /nfs/dbraw/zinc/62/68/21/643626821.db2.gz LRDGKDBGXJJCMB-INIZCTEOSA-N 1 2 385.986 2.427 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)c1ccnc(Cl)c1I ZINC000121468369 643632738 /nfs/dbraw/zinc/63/27/38/643632738.db2.gz BAJZWVCWASJJOB-UHFFFAOYSA-N 1 2 390.612 2.046 20 0 GEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000540018741 650856548 /nfs/dbraw/zinc/85/65/48/650856548.db2.gz ZTTKQYMBRXXGEO-QWRGUYRKSA-N 1 2 378.270 2.455 20 0 GEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000540018741 650856553 /nfs/dbraw/zinc/85/65/53/650856553.db2.gz ZTTKQYMBRXXGEO-QWRGUYRKSA-N 1 2 378.270 2.455 20 0 GEADLO CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)CC(=O)Nc1ccccc1Br ZINC000540560222 650864544 /nfs/dbraw/zinc/86/45/44/650864544.db2.gz HIGZBNAASVAZTQ-OKILXGFUSA-N 1 2 382.302 2.183 20 0 GEADLO CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)CC(=O)Nc1ccccc1Br ZINC000540560222 650864547 /nfs/dbraw/zinc/86/45/47/650864547.db2.gz HIGZBNAASVAZTQ-OKILXGFUSA-N 1 2 382.302 2.183 20 0 GEADLO C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)CC(=O)Nc1ccccc1Br ZINC000540560222 650864549 /nfs/dbraw/zinc/86/45/49/650864549.db2.gz HIGZBNAASVAZTQ-OKILXGFUSA-N 1 2 382.302 2.183 20 0 GEADLO C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)CC(=O)Nc1ccccc1Br ZINC000540560222 650864551 /nfs/dbraw/zinc/86/45/51/650864551.db2.gz HIGZBNAASVAZTQ-OKILXGFUSA-N 1 2 382.302 2.183 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](CCO)c1ccccc1Br ZINC000541022490 650868949 /nfs/dbraw/zinc/86/89/49/650868949.db2.gz GCDFCKHBVBTXJC-AWEZNQCLSA-N 1 2 381.274 2.441 20 0 GEADLO CSCC[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1nnc2ccccn21 ZINC000130795879 643851236 /nfs/dbraw/zinc/85/12/36/643851236.db2.gz DSYDBJQJQZZTCY-UONOGXRCSA-N 1 2 379.555 2.077 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(C(=O)c2sc(C)c(Br)c2OC)CC1 ZINC000131663675 643875898 /nfs/dbraw/zinc/87/58/98/643875898.db2.gz QGYOHWFDIXQFJL-NSHDSACASA-N 1 2 391.331 2.356 20 0 GEADLO COC(=O)C1CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000132724566 643885720 /nfs/dbraw/zinc/88/57/20/643885720.db2.gz QDTSUJIROCWRDU-UHFFFAOYSA-N 1 2 389.315 2.354 20 0 GEADLO C[C@H](CNC(=O)Cc1cc(Cl)ccc1Br)[NH+]1CCN(C)CC1 ZINC000132969415 643890449 /nfs/dbraw/zinc/89/04/49/643890449.db2.gz VMDWHPUQQWCCDG-GFCCVEGCSA-N 1 2 388.737 2.397 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(I)ccc2Cl)C1 ZINC000151391519 643941999 /nfs/dbraw/zinc/94/19/99/643941999.db2.gz OHFUACWTCKZWEW-SNVBAGLBSA-N 1 2 394.640 2.005 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)c2cc(I)ccc2Cl)C1 ZINC000151391519 643942002 /nfs/dbraw/zinc/94/20/02/643942002.db2.gz OHFUACWTCKZWEW-SNVBAGLBSA-N 1 2 394.640 2.005 20 0 GEADLO C[N@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000151710420 643951450 /nfs/dbraw/zinc/95/14/50/643951450.db2.gz APPONOMPRYWTEL-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO C[N@@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000151710420 643951456 /nfs/dbraw/zinc/95/14/56/643951456.db2.gz APPONOMPRYWTEL-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO O=C(C[NH+]1CCC(N2CCCCC2=O)CC1)Nc1ccc(Br)cn1 ZINC000153238324 643982598 /nfs/dbraw/zinc/98/25/98/643982598.db2.gz SIPYLLKTUVOPCE-UHFFFAOYSA-N 1 2 395.301 2.260 20 0 GEADLO O=S(=O)(NCCNc1cccc[nH+]1)c1cc(Br)cc2c1OCC2 ZINC000541817710 650882788 /nfs/dbraw/zinc/88/27/88/650882788.db2.gz RCTQVKYKRWALDI-UHFFFAOYSA-N 1 2 398.282 2.169 20 0 GEADLO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNc1cc[nH+]cc1Cl ZINC000154689800 644059247 /nfs/dbraw/zinc/05/92/47/644059247.db2.gz IESPIGDGPIOLML-UHFFFAOYSA-N 1 2 389.264 2.200 20 0 GEADLO O=C(NNc1cc[nH+]cc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000154734030 644059761 /nfs/dbraw/zinc/05/97/61/644059761.db2.gz DDIHJHFYUVGTOG-UHFFFAOYSA-N 1 2 380.857 2.276 20 0 GEADLO C[C@@H]1OCC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@H]1C ZINC000156394494 644093675 /nfs/dbraw/zinc/09/36/75/644093675.db2.gz ZKOBDBRUSFIEBU-STQMWFEESA-N 1 2 387.311 2.146 20 0 GEADLO C[C@@H]1OCC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@H]1C ZINC000156394494 644093679 /nfs/dbraw/zinc/09/36/79/644093679.db2.gz ZKOBDBRUSFIEBU-STQMWFEESA-N 1 2 387.311 2.146 20 0 GEADLO C[C@H]1OCC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@@H]1C ZINC000156394624 644093783 /nfs/dbraw/zinc/09/37/83/644093783.db2.gz ZKOBDBRUSFIEBU-CHWSQXEVSA-N 1 2 387.311 2.146 20 0 GEADLO C[C@H]1OCC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@@H]1C ZINC000156394624 644093787 /nfs/dbraw/zinc/09/37/87/644093787.db2.gz ZKOBDBRUSFIEBU-CHWSQXEVSA-N 1 2 387.311 2.146 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)N[C@@H](CCO)c1ccccc1Br ZINC000542892996 650893713 /nfs/dbraw/zinc/89/37/13/650893713.db2.gz HUKRTWLTONNQTD-HNNXBMFYSA-N 1 2 381.274 2.459 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000158778253 644159414 /nfs/dbraw/zinc/15/94/14/644159414.db2.gz LPKYEOCLLMHGDM-UHFFFAOYSA-N 1 2 383.857 2.349 20 0 GEADLO CCC[N@@H+]1CCC[C@@H]1C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000159973287 644196100 /nfs/dbraw/zinc/19/61/00/644196100.db2.gz PLHAXINMCVTVRD-CYBMUJFWSA-N 1 2 379.404 2.298 20 0 GEADLO CCC[N@H+]1CCC[C@@H]1C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000159973287 644196107 /nfs/dbraw/zinc/19/61/07/644196107.db2.gz PLHAXINMCVTVRD-CYBMUJFWSA-N 1 2 379.404 2.298 20 0 GEADLO CS(=O)(=O)c1csc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000162587433 644239940 /nfs/dbraw/zinc/23/99/40/644239940.db2.gz KTOINSMEODQCLB-UHFFFAOYSA-N 1 2 379.438 2.406 20 0 GEADLO Cc1[nH]c(=O)c(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC000163099672 644247637 /nfs/dbraw/zinc/24/76/37/644247637.db2.gz IJEXHGLNTOICKI-UHFFFAOYSA-N 1 2 377.242 2.216 20 0 GEADLO COc1cncc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000543396879 650910304 /nfs/dbraw/zinc/91/03/04/650910304.db2.gz YUOPEBWGVLRCNL-IAGOWNOFSA-N 1 2 381.885 2.467 20 0 GEADLO COc1cncc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000543396879 650910305 /nfs/dbraw/zinc/91/03/05/650910305.db2.gz YUOPEBWGVLRCNL-IAGOWNOFSA-N 1 2 381.885 2.467 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000172797535 644344156 /nfs/dbraw/zinc/34/41/56/644344156.db2.gz XDCMVVHDWLDDTB-JTQLQIEISA-N 1 2 381.263 2.472 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000172797535 644344163 /nfs/dbraw/zinc/34/41/63/644344163.db2.gz XDCMVVHDWLDDTB-JTQLQIEISA-N 1 2 381.263 2.472 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)ccc1Br ZINC000180345880 644501691 /nfs/dbraw/zinc/50/16/91/644501691.db2.gz PDZPYZZQFFGQPZ-LBPRGKRZSA-N 1 2 389.315 2.366 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000180345880 644501697 /nfs/dbraw/zinc/50/16/97/644501697.db2.gz PDZPYZZQFFGQPZ-LBPRGKRZSA-N 1 2 389.315 2.366 20 0 GEADLO COc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)nc1Br ZINC000181483145 644538760 /nfs/dbraw/zinc/53/87/60/644538760.db2.gz KGDBTVVSODHQRC-NSHDSACASA-N 1 2 377.242 2.256 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCSC[C@@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000544124464 650934974 /nfs/dbraw/zinc/93/49/74/650934974.db2.gz YJASQOVASFCOMR-YPMHNXCESA-N 1 2 378.416 2.172 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCSC[C@@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000544124464 650934977 /nfs/dbraw/zinc/93/49/77/650934977.db2.gz YJASQOVASFCOMR-YPMHNXCESA-N 1 2 378.416 2.172 20 0 GEADLO COC(=O)C[N@H+](CCCc1ccccc1Br)CCN1CCOCC1 ZINC000544142697 650935819 /nfs/dbraw/zinc/93/58/19/650935819.db2.gz DUKHYZVUSZAPKR-UHFFFAOYSA-N 1 2 399.329 2.189 20 0 GEADLO COC(=O)C[N@@H+](CCCc1ccccc1Br)CCN1CCOCC1 ZINC000544142697 650935822 /nfs/dbraw/zinc/93/58/22/650935822.db2.gz DUKHYZVUSZAPKR-UHFFFAOYSA-N 1 2 399.329 2.189 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000544629525 650947061 /nfs/dbraw/zinc/94/70/61/650947061.db2.gz SBBKTFYFRCEPDU-NSHDSACASA-N 1 2 377.819 2.434 20 0 GEADLO Cc1cc(=O)c(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c[nH]1 ZINC000544774365 650953176 /nfs/dbraw/zinc/95/31/76/650953176.db2.gz BOVJTEPNENJIHF-UHFFFAOYSA-N 1 2 389.253 2.374 20 0 GEADLO O=C(c1ccc(I)c(O)c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000544878614 650957180 /nfs/dbraw/zinc/95/71/80/650957180.db2.gz HYBMUXHGNVNZSZ-LBPRGKRZSA-N 1 2 397.216 2.498 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000181880118 644951425 /nfs/dbraw/zinc/95/14/25/644951425.db2.gz UDZNMPRIBFDSOO-STQMWFEESA-N 1 2 383.432 2.200 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000181880118 644951427 /nfs/dbraw/zinc/95/14/27/644951427.db2.gz UDZNMPRIBFDSOO-STQMWFEESA-N 1 2 383.432 2.200 20 0 GEADLO Oc1cccc(C[NH+]2CCN(c3ncc(I)cn3)CC2)c1 ZINC000545208871 650965447 /nfs/dbraw/zinc/96/54/47/650965447.db2.gz MGKVNWDKNLEEQK-UHFFFAOYSA-N 1 2 396.232 2.109 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCCNc1cccc(Br)c1)[NH+]1CCOCC1 ZINC000182709922 644968604 /nfs/dbraw/zinc/96/86/04/644968604.db2.gz IQCDYKVVEOKPMH-UONOGXRCSA-N 1 2 399.333 2.269 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)cnc1Br ZINC000182837005 644972318 /nfs/dbraw/zinc/97/23/18/644972318.db2.gz WXKRMENCXXZYRV-UHFFFAOYSA-N 1 2 388.225 2.055 20 0 GEADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)n1 ZINC000184264426 645014027 /nfs/dbraw/zinc/01/40/27/645014027.db2.gz AHOGYLCFRKBZCK-SNVBAGLBSA-N 1 2 377.861 2.370 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@](C)(O)C3CC3)[nH+]c12 ZINC000545448597 650974921 /nfs/dbraw/zinc/97/49/21/650974921.db2.gz UCXGMPRJHKBWHU-QGZVFWFLSA-N 1 2 395.301 2.408 20 0 GEADLO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)cc(F)c1O ZINC000186166880 645061879 /nfs/dbraw/zinc/06/18/79/645061879.db2.gz FDCDEYHVRUMGAR-VHSXEESVSA-N 1 2 395.294 2.226 20 0 GEADLO O=C(NCc1ccc(Cl)cc1F)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000186382665 645066392 /nfs/dbraw/zinc/06/63/92/645066392.db2.gz AOGYSJUQQHTDPJ-KRWDZBQOSA-N 1 2 387.908 2.486 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000188056689 645106058 /nfs/dbraw/zinc/10/60/58/645106058.db2.gz JQZPUTJSGIFGJW-NSHDSACASA-N 1 2 397.299 2.475 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(Cl)cc1F ZINC000188804277 645126623 /nfs/dbraw/zinc/12/66/23/645126623.db2.gz BLNFIISESOVPMO-GFCCVEGCSA-N 1 2 378.897 2.253 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c(Cl)cc1F ZINC000188804277 645126627 /nfs/dbraw/zinc/12/66/27/645126627.db2.gz BLNFIISESOVPMO-GFCCVEGCSA-N 1 2 378.897 2.253 20 0 GEADLO O=C(CSc1cccc[n+]1[O-])NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189416653 645137198 /nfs/dbraw/zinc/13/71/98/645137198.db2.gz PJFHTXKUXOLGPI-UHFFFAOYSA-N 1 2 377.897 2.240 20 0 GEADLO O=C(CSc1cccc[n+]1[O-])NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189416653 645137205 /nfs/dbraw/zinc/13/72/05/645137205.db2.gz PJFHTXKUXOLGPI-UHFFFAOYSA-N 1 2 377.897 2.240 20 0 GEADLO CCOCCOCC[N@H+](C)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192164020 645197725 /nfs/dbraw/zinc/19/77/25/645197725.db2.gz IXAFZCYXWTUKLY-UHFFFAOYSA-N 1 2 391.237 2.439 20 0 GEADLO CCOCCOCC[N@@H+](C)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192164020 645197730 /nfs/dbraw/zinc/19/77/30/645197730.db2.gz IXAFZCYXWTUKLY-UHFFFAOYSA-N 1 2 391.237 2.439 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000192638128 645216625 /nfs/dbraw/zinc/21/66/25/645216625.db2.gz CIFKFAAMJXHGPB-HNNXBMFYSA-N 1 2 390.908 2.353 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)NCCCNC(=O)c1cccc(Br)c1 ZINC000193055162 645235882 /nfs/dbraw/zinc/23/58/82/645235882.db2.gz DUKYLXIQBIZDGY-UHFFFAOYSA-N 1 2 379.258 2.041 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)NCCCNC(=O)c1cccc(Br)c1 ZINC000193055162 645235888 /nfs/dbraw/zinc/23/58/88/645235888.db2.gz DUKYLXIQBIZDGY-UHFFFAOYSA-N 1 2 379.258 2.041 20 0 GEADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1nnc2ccccn21 ZINC000193154155 645245992 /nfs/dbraw/zinc/24/59/92/645245992.db2.gz WACNGBGYCRFPHT-SNVBAGLBSA-N 1 2 375.230 2.176 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000546170650 650993823 /nfs/dbraw/zinc/99/38/23/650993823.db2.gz LTCXGEGFEXCISM-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000546170650 650993824 /nfs/dbraw/zinc/99/38/24/650993824.db2.gz LTCXGEGFEXCISM-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO CCn1ncnc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193416863 645270893 /nfs/dbraw/zinc/27/08/93/645270893.db2.gz VUFKYWHSBAWDDO-UHFFFAOYSA-N 1 2 393.289 2.306 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)ccc1Br ZINC000546210368 650995673 /nfs/dbraw/zinc/99/56/73/650995673.db2.gz PIZIUEFQQPCRBA-CQSZACIVSA-N 1 2 395.301 2.232 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)ccc1Br ZINC000546210368 650995675 /nfs/dbraw/zinc/99/56/75/650995675.db2.gz PIZIUEFQQPCRBA-CQSZACIVSA-N 1 2 395.301 2.232 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000246418948 645483851 /nfs/dbraw/zinc/48/38/51/645483851.db2.gz KLIRTCCQZPNMQC-SOUVJXGZSA-N 1 2 387.307 2.248 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](Cc2cccc(OC(F)F)c2)C[C@H]2CCCO2)C1 ZINC000247582840 645514339 /nfs/dbraw/zinc/51/43/39/645514339.db2.gz LSTICTAFLKXOMU-GOEBONIOSA-N 1 2 375.437 2.456 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](Cc2cccc(OC(F)F)c2)C[C@H]2CCCO2)C1 ZINC000247582840 645514343 /nfs/dbraw/zinc/51/43/43/645514343.db2.gz LSTICTAFLKXOMU-GOEBONIOSA-N 1 2 375.437 2.456 20 0 GEADLO CNc1nnc(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000248738894 645536164 /nfs/dbraw/zinc/53/61/64/645536164.db2.gz QBZWQMYBKCLIEL-WFASDCNBSA-N 1 2 383.880 2.476 20 0 GEADLO CNc1nnc(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000248738894 645536170 /nfs/dbraw/zinc/53/61/70/645536170.db2.gz QBZWQMYBKCLIEL-WFASDCNBSA-N 1 2 383.880 2.476 20 0 GEADLO C[N@H+](C[C@H]1CC2(CCC2)C(=O)O1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000248889229 645542052 /nfs/dbraw/zinc/54/20/52/645542052.db2.gz RTVUDCZZCHUHEN-ZIAGYGMSSA-N 1 2 381.270 2.393 20 0 GEADLO C[N@@H+](C[C@H]1CC2(CCC2)C(=O)O1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000248889229 645542055 /nfs/dbraw/zinc/54/20/55/645542055.db2.gz RTVUDCZZCHUHEN-ZIAGYGMSSA-N 1 2 381.270 2.393 20 0 GEADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCCc1ccc(Br)cc1OC ZINC000249348514 645553158 /nfs/dbraw/zinc/55/31/58/645553158.db2.gz KBKCHRSDYZVAPX-ZBFHGGJFSA-N 1 2 386.286 2.389 20 0 GEADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCCc1ccc(Br)cc1OC ZINC000249348514 645553165 /nfs/dbraw/zinc/55/31/65/645553165.db2.gz KBKCHRSDYZVAPX-ZBFHGGJFSA-N 1 2 386.286 2.389 20 0 GEADLO Cc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261713524 645595929 /nfs/dbraw/zinc/59/59/29/645595929.db2.gz MSFDDEIQLQPBEU-HNNXBMFYSA-N 1 2 396.310 2.488 20 0 GEADLO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000261888445 645609221 /nfs/dbraw/zinc/60/92/21/645609221.db2.gz SNCBORDIKVHFKU-OAHLLOKOSA-N 1 2 380.901 2.411 20 0 GEADLO CN(Cc1cccc(Br)c1)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000547503027 651028956 /nfs/dbraw/zinc/02/89/56/651028956.db2.gz PODCEOOBLLKBKR-UHFFFAOYSA-N 1 2 390.285 2.154 20 0 GEADLO CN(Cc1cccc(Br)c1)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000547503027 651028962 /nfs/dbraw/zinc/02/89/62/651028962.db2.gz PODCEOOBLLKBKR-UHFFFAOYSA-N 1 2 390.285 2.154 20 0 GEADLO C[C@H]([C@H](C)N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)S(C)(=O)=O ZINC000264949686 645730472 /nfs/dbraw/zinc/73/04/72/645730472.db2.gz KDGKIVWRWTYLFI-QWHCGFSZSA-N 1 2 388.559 2.414 20 0 GEADLO CC(C)(C)S(=O)(=O)CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000264980634 645734124 /nfs/dbraw/zinc/73/41/24/645734124.db2.gz UBTQCWJPICDPDO-UHFFFAOYSA-N 1 2 388.559 2.464 20 0 GEADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000266024299 645819709 /nfs/dbraw/zinc/81/97/09/645819709.db2.gz CUIYIPCJEWVNRL-LBPRGKRZSA-N 1 2 376.463 2.188 20 0 GEADLO CNC(=O)C[NH+]1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1 ZINC000267445361 645902933 /nfs/dbraw/zinc/90/29/33/645902933.db2.gz ZQRYSCPNQWBEKW-UHFFFAOYSA-N 1 2 381.249 2.004 20 0 GEADLO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000267465501 645905001 /nfs/dbraw/zinc/90/50/01/645905001.db2.gz WSJBSGRXKDAJDF-LLVKDONJSA-N 1 2 395.257 2.106 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H]1CSCCS1 ZINC000267872191 645930056 /nfs/dbraw/zinc/93/00/56/645930056.db2.gz QQYADORHYHHDBK-SJORKVTESA-N 1 2 381.567 2.035 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H]1CSCCS1 ZINC000267872191 645930059 /nfs/dbraw/zinc/93/00/59/645930059.db2.gz QQYADORHYHHDBK-SJORKVTESA-N 1 2 381.567 2.035 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)CCC(=O)Nc1ccc(Br)cc1 ZINC000268131223 645946825 /nfs/dbraw/zinc/94/68/25/645946825.db2.gz AKYDFMIDDQOUPP-UHFFFAOYSA-N 1 2 386.271 2.126 20 0 GEADLO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ncc(Br)cc1F ZINC000547984314 651059699 /nfs/dbraw/zinc/05/96/99/651059699.db2.gz GLZUTCAXBCTVOL-VIFPVBQESA-N 1 2 382.299 2.352 20 0 GEADLO COCC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000268903018 646004187 /nfs/dbraw/zinc/00/41/87/646004187.db2.gz PFJYUDBBAKODJH-CYBMUJFWSA-N 1 2 376.906 2.080 20 0 GEADLO COCCNC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc1Cl ZINC000269672512 646051309 /nfs/dbraw/zinc/05/13/09/646051309.db2.gz IWYKNVIZUSEHNH-GFCCVEGCSA-N 1 2 385.917 2.092 20 0 GEADLO COC[C@@H](CCO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000270022465 646084206 /nfs/dbraw/zinc/08/42/06/646084206.db2.gz ARXQNZALDFJPOB-HZPDHXFCSA-N 1 2 385.302 2.100 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000270203334 646091476 /nfs/dbraw/zinc/09/14/76/646091476.db2.gz ZBWVJLVYOOINSX-JTQLQIEISA-N 1 2 377.297 2.487 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)Cn2cc(Br)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000270706872 646130562 /nfs/dbraw/zinc/13/05/62/646130562.db2.gz NMFMRMWLQCRCKC-GOEBONIOSA-N 1 2 399.239 2.485 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)Cn2cc(Br)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000270706872 646130566 /nfs/dbraw/zinc/13/05/66/646130566.db2.gz NMFMRMWLQCRCKC-GOEBONIOSA-N 1 2 399.239 2.485 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000271263136 646186630 /nfs/dbraw/zinc/18/66/30/646186630.db2.gz HSTMUNIRGKXCNZ-AWEZNQCLSA-N 1 2 386.290 2.107 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000271263136 646186635 /nfs/dbraw/zinc/18/66/35/646186635.db2.gz HSTMUNIRGKXCNZ-AWEZNQCLSA-N 1 2 386.290 2.107 20 0 GEADLO C[N@H+](CCc1cnccn1)CC(=O)Nc1ccccc1I ZINC000271362733 646195925 /nfs/dbraw/zinc/19/59/25/646195925.db2.gz PYHORCGDCQFMMP-UHFFFAOYSA-N 1 2 396.232 2.194 20 0 GEADLO C[N@@H+](CCc1cnccn1)CC(=O)Nc1ccccc1I ZINC000271362733 646195930 /nfs/dbraw/zinc/19/59/30/646195930.db2.gz PYHORCGDCQFMMP-UHFFFAOYSA-N 1 2 396.232 2.194 20 0 GEADLO C[N@H+](CCc1cnccn1)CC(=O)Nc1cccc(I)c1 ZINC000271383828 646199102 /nfs/dbraw/zinc/19/91/02/646199102.db2.gz UDFNNTQRYFOXHL-UHFFFAOYSA-N 1 2 396.232 2.194 20 0 GEADLO C[N@@H+](CCc1cnccn1)CC(=O)Nc1cccc(I)c1 ZINC000271383828 646199108 /nfs/dbraw/zinc/19/91/08/646199108.db2.gz UDFNNTQRYFOXHL-UHFFFAOYSA-N 1 2 396.232 2.194 20 0 GEADLO Cn1cc(C(=O)NCC2CC[NH+](Cc3cccc(Br)n3)CC2)cn1 ZINC000272283096 646262808 /nfs/dbraw/zinc/26/28/08/646262808.db2.gz AMYLJDSNLHCHMB-UHFFFAOYSA-N 1 2 392.301 2.220 20 0 GEADLO Cc1nc(CC[NH+]2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000273231450 646311585 /nfs/dbraw/zinc/31/15/85/646311585.db2.gz DNFMJOOBJMYAGP-QGZVFWFLSA-N 1 2 378.929 2.492 20 0 GEADLO Cc1cc(Br)cn2cc(CCNS(=O)(=O)N(C)C(C)C)[nH+]c12 ZINC000273564449 646316105 /nfs/dbraw/zinc/31/61/05/646316105.db2.gz ZBALUIBWDJSLLU-UHFFFAOYSA-N 1 2 389.319 2.122 20 0 GEADLO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1ccc(Cl)cn1 ZINC000274864484 646334045 /nfs/dbraw/zinc/33/40/45/646334045.db2.gz DMHRUSFCEVAXSC-ZDUSSCGKSA-N 1 2 383.901 2.199 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1)c1ccc(Cl)cc1Cl ZINC000274966024 646337687 /nfs/dbraw/zinc/33/76/87/646337687.db2.gz JSXZJINOCLTGDF-JTQLQIEISA-N 1 2 381.263 2.312 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1)c1ccc(Cl)cc1Cl ZINC000274966024 646337693 /nfs/dbraw/zinc/33/76/93/646337693.db2.gz JSXZJINOCLTGDF-JTQLQIEISA-N 1 2 381.263 2.312 20 0 GEADLO C[N@H+](CC(=O)N1CCC1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000276156928 646369666 /nfs/dbraw/zinc/36/96/66/646369666.db2.gz QBOZZSMEDZLTJU-UHFFFAOYSA-N 1 2 385.302 2.263 20 0 GEADLO C[N@@H+](CC(=O)N1CCC1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000276156928 646369670 /nfs/dbraw/zinc/36/96/70/646369670.db2.gz QBOZZSMEDZLTJU-UHFFFAOYSA-N 1 2 385.302 2.263 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000277235122 646392152 /nfs/dbraw/zinc/39/21/52/646392152.db2.gz TYVRHKNAMFKERI-UHFFFAOYSA-N 1 2 385.511 2.395 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CCc3ccncn3)[nH+]c12 ZINC000277249340 646393741 /nfs/dbraw/zinc/39/37/41/646393741.db2.gz MSXYXBZQOARLIK-UHFFFAOYSA-N 1 2 388.269 2.487 20 0 GEADLO Cc1cc(Br)cn2cc(CCN3C(=O)N[C@@H](C4CC4)C3=O)[nH+]c12 ZINC000277371902 646409689 /nfs/dbraw/zinc/40/96/89/646409689.db2.gz YPPXPNQKSOHANI-ZDUSSCGKSA-N 1 2 377.242 2.278 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277377680 646410161 /nfs/dbraw/zinc/41/01/61/646410161.db2.gz CIXVHHCNZZMLJF-UHFFFAOYSA-N 1 2 384.889 2.172 20 0 GEADLO CC(C)(CN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O)[NH+]1CCOCC1 ZINC000277581724 646446027 /nfs/dbraw/zinc/44/60/27/646446027.db2.gz YLNFVGHZKUFFQT-AWEZNQCLSA-N 1 2 396.285 2.153 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000278270869 646508421 /nfs/dbraw/zinc/50/84/21/646508421.db2.gz JBPKJYSNIBLQKN-IUODEOHRSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000278270869 646508438 /nfs/dbraw/zinc/50/84/38/646508438.db2.gz JBPKJYSNIBLQKN-IUODEOHRSA-N 1 2 376.266 2.434 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cc(Br)ccc1F ZINC000278654906 646535433 /nfs/dbraw/zinc/53/54/33/646535433.db2.gz AKBBZKLRGJQCEP-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(C)c1Cl ZINC000278729916 646543687 /nfs/dbraw/zinc/54/36/87/646543687.db2.gz JAZOUJFCIVLYSS-NSHDSACASA-N 1 2 390.914 2.131 20 0 GEADLO COC(=O)C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Br)cc1 ZINC000278746607 646545198 /nfs/dbraw/zinc/54/51/98/646545198.db2.gz VHKXPMWCGIZIBG-CQSZACIVSA-N 1 2 380.242 2.444 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000278788498 646549376 /nfs/dbraw/zinc/54/93/76/646549376.db2.gz DRWHKADJZDBVQQ-AWEZNQCLSA-N 1 2 386.901 2.111 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000278788498 646549380 /nfs/dbraw/zinc/54/93/80/646549380.db2.gz DRWHKADJZDBVQQ-AWEZNQCLSA-N 1 2 386.901 2.111 20 0 GEADLO Cn1ncc(Br)c1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000278840192 646556213 /nfs/dbraw/zinc/55/62/13/646556213.db2.gz ZPWWUBRUFBVGBQ-UHFFFAOYSA-N 1 2 379.306 2.490 20 0 GEADLO C[C@@H](NC(=O)N[C@@H](C)c1ccc(Br)cn1)[C@@H](C)[NH+]1CCOCC1 ZINC000279542191 646609403 /nfs/dbraw/zinc/60/94/03/646609403.db2.gz APMCYRQOSHIRBR-FRRDWIJNSA-N 1 2 385.306 2.314 20 0 GEADLO O=C(C[C@H]1CSCCS1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280589546 646696404 /nfs/dbraw/zinc/69/64/04/646696404.db2.gz BDZIWYFUEWBITO-KSZLIROESA-N 1 2 378.563 2.337 20 0 GEADLO O=C(C[C@H]1CSCCS1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280589546 646696409 /nfs/dbraw/zinc/69/64/09/646696409.db2.gz BDZIWYFUEWBITO-KSZLIROESA-N 1 2 378.563 2.337 20 0 GEADLO Cc1ccc([C@@H]([NH2+]CC(=O)NCc2cccs2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280805333 646718866 /nfs/dbraw/zinc/71/88/66/646718866.db2.gz LFUJMTYPKHIGGM-KDOFPFPSSA-N 1 2 380.535 2.437 20 0 GEADLO CN(C)[C@H](C(=O)Nc1cccc(I)c1)c1c[nH+]cn1C ZINC000281185030 646752462 /nfs/dbraw/zinc/75/24/62/646752462.db2.gz OFEITLOIPMNLPE-ZDUSSCGKSA-N 1 2 384.221 2.266 20 0 GEADLO Cn1c(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)nc2ccc(Br)cc21 ZINC000281502047 646775719 /nfs/dbraw/zinc/77/57/19/646775719.db2.gz UKZNZNQOFWCLQN-MFKMUULPSA-N 1 2 379.258 2.266 20 0 GEADLO Cn1c(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)nc2ccc(Br)cc21 ZINC000281502047 646775727 /nfs/dbraw/zinc/77/57/27/646775727.db2.gz UKZNZNQOFWCLQN-MFKMUULPSA-N 1 2 379.258 2.266 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000283686922 646827299 /nfs/dbraw/zinc/82/72/99/646827299.db2.gz QSMOBKRZHNDJDQ-HNNXBMFYSA-N 1 2 387.933 2.067 20 0 GEADLO O=C(NCc1ccc(Br)cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000283688481 646827537 /nfs/dbraw/zinc/82/75/37/646827537.db2.gz YMTXUCXKQNIECX-ZDUSSCGKSA-N 1 2 391.269 2.195 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000285643892 646860473 /nfs/dbraw/zinc/86/04/73/646860473.db2.gz DLXWKFPVAUTJPC-GXTWGEPZSA-N 1 2 385.277 2.452 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(F)cc1Br ZINC000285991467 646863874 /nfs/dbraw/zinc/86/38/74/646863874.db2.gz XUKINBJUXWRDCV-DOMZBBRYSA-N 1 2 385.277 2.452 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1cc(F)ccc1Br ZINC000286026015 646865211 /nfs/dbraw/zinc/86/52/11/646865211.db2.gz ZVWOQHPCPDOKTO-WFASDCNBSA-N 1 2 385.277 2.452 20 0 GEADLO Cc1cn2cc(NC(=O)C(=O)N(C)CC(F)(F)Br)ccc2[nH+]1 ZINC000288338848 646913322 /nfs/dbraw/zinc/91/33/22/646913322.db2.gz ZHFCRMZTLBHFJM-UHFFFAOYSA-N 1 2 375.173 2.027 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000290211334 647172577 /nfs/dbraw/zinc/17/25/77/647172577.db2.gz IVNZFEQHEDGGIM-UWVGGRQHSA-N 1 2 382.814 2.089 20 0 GEADLO COc1ccc(CCNc2cc(C(F)(F)F)cc[nH+]2)cc1S(N)(=O)=O ZINC000301931508 647277662 /nfs/dbraw/zinc/27/76/62/647277662.db2.gz LTZODRXJTOQBTQ-UHFFFAOYSA-N 1 2 375.372 2.411 20 0 GEADLO COc1ccc(Br)cc1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000323561459 647297937 /nfs/dbraw/zinc/29/79/37/647297937.db2.gz UCXDRTDDKXRHOE-CQSZACIVSA-N 1 2 383.286 2.395 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C)CC1 ZINC000330407929 647336361 /nfs/dbraw/zinc/33/63/61/647336361.db2.gz GZHHGPXMNCWYSJ-AWEZNQCLSA-N 1 2 380.432 2.091 20 0 GEADLO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330451147 647337383 /nfs/dbraw/zinc/33/73/83/647337383.db2.gz UISAMFWAKVEUIK-ZYHUDNBSSA-N 1 2 391.693 2.317 20 0 GEADLO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330451147 647337386 /nfs/dbraw/zinc/33/73/86/647337386.db2.gz UISAMFWAKVEUIK-ZYHUDNBSSA-N 1 2 391.693 2.317 20 0 GEADLO C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1CO ZINC000330463313 647338632 /nfs/dbraw/zinc/33/86/32/647338632.db2.gz CLYTZEBNUMCTAN-DOMZBBRYSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1CO ZINC000330463313 647338637 /nfs/dbraw/zinc/33/86/37/647338637.db2.gz CLYTZEBNUMCTAN-DOMZBBRYSA-N 1 2 376.316 2.316 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC000330705449 647347374 /nfs/dbraw/zinc/34/73/74/647347374.db2.gz SCCURVLXGGFRAF-VXGBXAGGSA-N 1 2 381.420 2.126 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC000330705449 647347378 /nfs/dbraw/zinc/34/73/78/647347378.db2.gz SCCURVLXGGFRAF-VXGBXAGGSA-N 1 2 381.420 2.126 20 0 GEADLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)C1=O ZINC000331562578 647389108 /nfs/dbraw/zinc/38/91/08/647389108.db2.gz GDEGVSOPQAAKOU-SLEUVZQESA-N 1 2 396.285 2.151 20 0 GEADLO C[C@@H]1NC(=O)N(CC[N@H+]2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)C1=O ZINC000331562578 647389110 /nfs/dbraw/zinc/38/91/10/647389110.db2.gz GDEGVSOPQAAKOU-SLEUVZQESA-N 1 2 396.285 2.151 20 0 GEADLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)C1=O ZINC000331562581 647389205 /nfs/dbraw/zinc/38/92/05/647389205.db2.gz GDEGVSOPQAAKOU-YWPYICTPSA-N 1 2 396.285 2.151 20 0 GEADLO C[C@@H]1NC(=O)N(CC[N@H+]2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)C1=O ZINC000331562581 647389213 /nfs/dbraw/zinc/38/92/13/647389213.db2.gz GDEGVSOPQAAKOU-YWPYICTPSA-N 1 2 396.285 2.151 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)CC[N@@H+]1CCOC ZINC000332566528 647446220 /nfs/dbraw/zinc/44/62/20/647446220.db2.gz BNHXAXRKWZAGKY-AWEZNQCLSA-N 1 2 383.539 2.336 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)CC[N@H+]1CCOC ZINC000332566528 647446225 /nfs/dbraw/zinc/44/62/25/647446225.db2.gz BNHXAXRKWZAGKY-AWEZNQCLSA-N 1 2 383.539 2.336 20 0 GEADLO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1nc(C(F)(F)F)cs1 ZINC000333012998 647459040 /nfs/dbraw/zinc/45/90/40/647459040.db2.gz VABLWZOGKCCTLE-MNOVXSKESA-N 1 2 378.420 2.339 20 0 GEADLO O=S1(=O)CC[C@]2(C1)CCC[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)C2 ZINC000333613229 647476188 /nfs/dbraw/zinc/47/61/88/647476188.db2.gz XAUHFZITIYAWEC-QGZVFWFLSA-N 1 2 380.901 2.321 20 0 GEADLO O=S1(=O)CC[C@]2(C1)CCC[N@H+](Cc1ccc(Cl)cc1-n1cncn1)C2 ZINC000333613229 647476191 /nfs/dbraw/zinc/47/61/91/647476191.db2.gz XAUHFZITIYAWEC-QGZVFWFLSA-N 1 2 380.901 2.321 20 0 GEADLO C[C@H]1CCN(C(=O)c2nc3ccc(Br)cn3n2)C[C@@H]1n1cc[nH+]c1 ZINC000333952254 647486515 /nfs/dbraw/zinc/48/65/15/647486515.db2.gz ZUHHYKDQKIKNMG-AAEUAGOBSA-N 1 2 389.257 2.412 20 0 GEADLO O=C(Cc1noc(CCn2cc[nH+]c2)n1)Nc1ccccc1Br ZINC000350824411 647541899 /nfs/dbraw/zinc/54/18/99/647541899.db2.gz PJFUIAWEVBNRPZ-UHFFFAOYSA-N 1 2 376.214 2.453 20 0 GEADLO Brc1cnn(C2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)c1 ZINC000363496333 647597352 /nfs/dbraw/zinc/59/73/52/647597352.db2.gz OQBDOWUITYQFOF-UHFFFAOYSA-N 1 2 388.273 2.458 20 0 GEADLO O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000363785744 647607884 /nfs/dbraw/zinc/60/78/84/647607884.db2.gz YNGRQFISZQIXQB-STQMWFEESA-N 1 2 380.901 2.463 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000364328559 647621809 /nfs/dbraw/zinc/62/18/09/647621809.db2.gz DALZEMSKVBQPNI-ZDUSSCGKSA-N 1 2 382.251 2.295 20 0 GEADLO O=C(NCc1ccc(F)cc1Br)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366110298 647693073 /nfs/dbraw/zinc/69/30/73/647693073.db2.gz IAMQDXAVDPMIEG-CQSZACIVSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(NCc1ccc(F)cc1Br)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366110298 647693077 /nfs/dbraw/zinc/69/30/77/647693077.db2.gz IAMQDXAVDPMIEG-CQSZACIVSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367086924 647718546 /nfs/dbraw/zinc/71/85/46/647718546.db2.gz VUBVIFAWVKXYGV-AWEZNQCLSA-N 1 2 390.237 2.360 20 0 GEADLO CCN1CCN(C2CC[NH+](CC(=O)NCc3ccc(Cl)s3)CC2)C1=O ZINC000369263954 647774564 /nfs/dbraw/zinc/77/45/64/647774564.db2.gz GPELKNLOFDPQNL-UHFFFAOYSA-N 1 2 384.933 2.240 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000372582358 647807165 /nfs/dbraw/zinc/80/71/65/647807165.db2.gz BONOEKBYZDHKKR-CQSZACIVSA-N 1 2 386.901 2.157 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000372582358 647807169 /nfs/dbraw/zinc/80/71/69/647807169.db2.gz BONOEKBYZDHKKR-CQSZACIVSA-N 1 2 386.901 2.157 20 0 GEADLO NC(=O)C[C@H]1CC[N@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000377848138 647868885 /nfs/dbraw/zinc/86/88/85/647868885.db2.gz UPMDXZSQLFHIBW-MRVPVSSYSA-N 1 2 380.176 2.267 20 0 GEADLO NC(=O)C[C@H]1CC[N@@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000377848138 647868887 /nfs/dbraw/zinc/86/88/87/647868887.db2.gz UPMDXZSQLFHIBW-MRVPVSSYSA-N 1 2 380.176 2.267 20 0 GEADLO Cn1ncc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)n1 ZINC000377874315 647870801 /nfs/dbraw/zinc/87/08/01/647870801.db2.gz MXNISQLNYYNGNS-UHFFFAOYSA-N 1 2 378.274 2.428 20 0 GEADLO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000377993050 647875401 /nfs/dbraw/zinc/87/54/01/647875401.db2.gz WAKZJBAJRRISAC-UHFFFAOYSA-N 1 2 381.205 2.074 20 0 GEADLO COCCN1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1=O ZINC000409713044 647979957 /nfs/dbraw/zinc/97/99/57/647979957.db2.gz BXBHBACUKWUDNN-UHFFFAOYSA-N 1 2 382.233 2.431 20 0 GEADLO Cc1nc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)s1 ZINC000412311194 648047313 /nfs/dbraw/zinc/04/73/13/648047313.db2.gz UERUVBJYZKGEDU-AOOOYVTPSA-N 1 2 376.320 2.395 20 0 GEADLO Cc1nc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)s1 ZINC000412311194 648047321 /nfs/dbraw/zinc/04/73/21/648047321.db2.gz UERUVBJYZKGEDU-AOOOYVTPSA-N 1 2 376.320 2.395 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000416539715 648165622 /nfs/dbraw/zinc/16/56/22/648165622.db2.gz ZAEOQBUHGGBNTJ-UHFFFAOYSA-N 1 2 384.708 2.419 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)CCOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000416595190 648181101 /nfs/dbraw/zinc/18/11/01/648181101.db2.gz QANHEGPUTYYSLU-CQSZACIVSA-N 1 2 380.432 2.101 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)CCOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000416595190 648181105 /nfs/dbraw/zinc/18/11/05/648181105.db2.gz QANHEGPUTYYSLU-CQSZACIVSA-N 1 2 380.432 2.101 20 0 GEADLO COC(=O)CNC(=O)[C@@H]1CCCN1c1cc[nH+]c2c(Br)cccc12 ZINC000419004633 648327303 /nfs/dbraw/zinc/32/73/03/648327303.db2.gz FNYMXJFCNJAROP-AWEZNQCLSA-N 1 2 392.253 2.255 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000420698240 648438111 /nfs/dbraw/zinc/43/81/11/648438111.db2.gz QBPBUKSFWHDBIQ-SNVBAGLBSA-N 1 2 375.372 2.339 20 0 GEADLO CNC(=O)Cc1noc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)n1 ZINC000420973793 648460602 /nfs/dbraw/zinc/46/06/02/648460602.db2.gz NOQFXYTVLAJHSL-CYBMUJFWSA-N 1 2 393.285 2.328 20 0 GEADLO CNC(=O)Cc1noc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)n1 ZINC000420973793 648460608 /nfs/dbraw/zinc/46/06/08/648460608.db2.gz NOQFXYTVLAJHSL-CYBMUJFWSA-N 1 2 393.285 2.328 20 0 GEADLO CC(=O)N[C@@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000421641865 648501614 /nfs/dbraw/zinc/50/16/14/648501614.db2.gz WDXXIIIDKCVZNC-SJORKVTESA-N 1 2 394.313 2.323 20 0 GEADLO CNC(=O)[C@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000421652686 648502922 /nfs/dbraw/zinc/50/29/22/648502922.db2.gz UDDDXRIQDHQQIE-HOCLYGCPSA-N 1 2 394.313 2.181 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424863105 648653992 /nfs/dbraw/zinc/65/39/92/648653992.db2.gz ZZQPINXLIZPHFS-LBPRGKRZSA-N 1 2 396.285 2.312 20 0 GEADLO CN(C)c1cc[nH+]cc1CNCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000441338416 648825397 /nfs/dbraw/zinc/82/53/97/648825397.db2.gz WRNMKZITPFVQLH-UHFFFAOYSA-N 1 2 386.880 2.008 20 0 GEADLO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000548352510 651077394 /nfs/dbraw/zinc/07/73/94/651077394.db2.gz PDJHMPBWLLDKPW-MRXNPFEDSA-N 1 2 385.277 2.440 20 0 GEADLO O=C(NC1CC1)[C@@H](O)C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000548352405 651077449 /nfs/dbraw/zinc/07/74/49/651077449.db2.gz FBLQEHBKWSHZGA-INIZCTEOSA-N 1 2 385.277 2.440 20 0 GEADLO CN(Cc1csc(Br)c1)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000551862885 651134576 /nfs/dbraw/zinc/13/45/76/651134576.db2.gz RQWNVAYACJITQJ-UHFFFAOYSA-N 1 2 399.314 2.262 20 0 GEADLO COCCn1nnc2c1CC[N@H+](Cc1cc(Br)cc3c1OCC3)C2 ZINC000552314075 651146520 /nfs/dbraw/zinc/14/65/20/651146520.db2.gz FYWVEXDIBJZYHK-UHFFFAOYSA-N 1 2 393.285 2.180 20 0 GEADLO COCCn1nnc2c1CC[N@@H+](Cc1cc(Br)cc3c1OCC3)C2 ZINC000552314075 651146523 /nfs/dbraw/zinc/14/65/23/651146523.db2.gz FYWVEXDIBJZYHK-UHFFFAOYSA-N 1 2 393.285 2.180 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000552459830 651149879 /nfs/dbraw/zinc/14/98/79/651149879.db2.gz MMPYYYWPDBLYGY-LBPRGKRZSA-N 1 2 389.279 2.373 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000552459830 651149880 /nfs/dbraw/zinc/14/98/80/651149880.db2.gz MMPYYYWPDBLYGY-LBPRGKRZSA-N 1 2 389.279 2.373 20 0 GEADLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2csc(C)n2)c1 ZINC000552564037 651152784 /nfs/dbraw/zinc/15/27/84/651152784.db2.gz NPFVVVSLDLLHFU-WDEREUQCSA-N 1 2 382.511 2.037 20 0 GEADLO O=C(NCCc1ccccc1Br)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552703323 651155618 /nfs/dbraw/zinc/15/56/18/651155618.db2.gz SRDDUDPTZWDBRH-UHFFFAOYSA-N 1 2 387.237 2.394 20 0 GEADLO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553052214 651163098 /nfs/dbraw/zinc/16/30/98/651163098.db2.gz JEPFTHQFFCJWNV-DGCLKSJQSA-N 1 2 384.263 2.308 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000555511483 651227121 /nfs/dbraw/zinc/22/71/21/651227121.db2.gz NZMJYVVDGAEMFA-CQSZACIVSA-N 1 2 376.320 2.310 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000555511483 651227124 /nfs/dbraw/zinc/22/71/24/651227124.db2.gz NZMJYVVDGAEMFA-CQSZACIVSA-N 1 2 376.320 2.310 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000555511482 651227219 /nfs/dbraw/zinc/22/72/19/651227219.db2.gz NZMJYVVDGAEMFA-AWEZNQCLSA-N 1 2 376.320 2.310 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000555511482 651227223 /nfs/dbraw/zinc/22/72/23/651227223.db2.gz NZMJYVVDGAEMFA-AWEZNQCLSA-N 1 2 376.320 2.310 20 0 GEADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2ccc(Br)cc2)C[C@H]1O ZINC000556085448 651236113 /nfs/dbraw/zinc/23/61/13/651236113.db2.gz UOFTWMZQURHECV-HZPDHXFCSA-N 1 2 399.329 2.268 20 0 GEADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2ccc(Br)cc2)C[C@H]1O ZINC000556085448 651236115 /nfs/dbraw/zinc/23/61/15/651236115.db2.gz UOFTWMZQURHECV-HZPDHXFCSA-N 1 2 399.329 2.268 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NS(=O)(=O)CCc2cccc(Cl)c2)CCO1 ZINC000556817282 651254185 /nfs/dbraw/zinc/25/41/85/651254185.db2.gz KHLQXFWHHGOGPP-RDJZCZTQSA-N 1 2 383.901 2.456 20 0 GEADLO CS(=O)(=O)c1cc(CNC(=O)CCc2c[nH]c[nH+]2)cc(C(F)(F)F)c1 ZINC000557105253 651262925 /nfs/dbraw/zinc/26/29/25/651262925.db2.gz YAWGVJIJQCEPBE-UHFFFAOYSA-N 1 2 375.372 2.081 20 0 GEADLO CS(=O)(=O)c1cc(CNC(=O)CCc2c[nH+]c[nH]2)cc(C(F)(F)F)c1 ZINC000557105253 651262929 /nfs/dbraw/zinc/26/29/29/651262929.db2.gz YAWGVJIJQCEPBE-UHFFFAOYSA-N 1 2 375.372 2.081 20 0 GEADLO Cc1c(NC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)nnn1C ZINC000557154237 651265412 /nfs/dbraw/zinc/26/54/12/651265412.db2.gz HANJXVWHWDWNKN-UHFFFAOYSA-N 1 2 392.261 2.206 20 0 GEADLO CC[C@H](C[NH2+]Cc1nccn1S(=O)(=O)N(C)C)Oc1cccc(Cl)c1 ZINC000558566909 651281660 /nfs/dbraw/zinc/28/16/60/651281660.db2.gz VCJNBYDMUMLDLR-CQSZACIVSA-N 1 2 386.905 2.138 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c(Br)c1 ZINC000560258394 651305583 /nfs/dbraw/zinc/30/55/83/651305583.db2.gz XRCLMCREZXHQBF-CQSZACIVSA-N 1 2 396.285 2.272 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c(Br)c1 ZINC000560258394 651305586 /nfs/dbraw/zinc/30/55/86/651305586.db2.gz XRCLMCREZXHQBF-CQSZACIVSA-N 1 2 396.285 2.272 20 0 GEADLO O=C(NCc1cc2c(c(Br)c1)OCO2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000561190191 651476440 /nfs/dbraw/zinc/47/64/40/651476440.db2.gz QIEJNCNIGQSZJE-LLVKDONJSA-N 1 2 378.226 2.253 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)CCc2ccccc2Br)C[C@@H]1C ZINC000643202385 651479465 /nfs/dbraw/zinc/47/94/65/651479465.db2.gz FWEDNUOCCNPHMQ-ZDUSSCGKSA-N 1 2 375.332 2.347 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)CCc2ccccc2Br)C[C@@H]1C ZINC000643202385 651479467 /nfs/dbraw/zinc/47/94/67/651479467.db2.gz FWEDNUOCCNPHMQ-ZDUSSCGKSA-N 1 2 375.332 2.347 20 0 GEADLO O=S(=O)(N[C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)ccc1OC(F)F ZINC000643212229 651480815 /nfs/dbraw/zinc/48/08/15/651480815.db2.gz LFGUMCNPXWIWAD-SNVBAGLBSA-N 1 2 377.800 2.431 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000643249572 651481768 /nfs/dbraw/zinc/48/17/68/651481768.db2.gz FDJYMXFAPYGCBJ-TXEJJXNPSA-N 1 2 379.309 2.071 20 0 GEADLO O=S(=O)(CCOCC(F)(F)F)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000561994360 651486208 /nfs/dbraw/zinc/48/62/08/651486208.db2.gz FKMYVEQTWYTCIV-UHFFFAOYSA-N 1 2 381.420 2.070 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccc(Br)s2)CCO1 ZINC000726254147 651488363 /nfs/dbraw/zinc/48/83/63/651488363.db2.gz BVQKSHHJRABYIX-LLVKDONJSA-N 1 2 376.320 2.073 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccc(Br)s2)CCO1 ZINC000726254147 651488368 /nfs/dbraw/zinc/48/83/68/651488368.db2.gz BVQKSHHJRABYIX-LLVKDONJSA-N 1 2 376.320 2.073 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726260403 651488723 /nfs/dbraw/zinc/48/87/23/651488723.db2.gz ZUZJVFUYVUHJJP-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726260403 651488728 /nfs/dbraw/zinc/48/87/28/651488728.db2.gz ZUZJVFUYVUHJJP-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CC[NH+](C4CCC4)CC3)cc2N1 ZINC000603505560 651498049 /nfs/dbraw/zinc/49/80/49/651498049.db2.gz NXQUNXXZKZWPPF-UHFFFAOYSA-N 1 2 383.901 2.084 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000603955954 651505162 /nfs/dbraw/zinc/50/51/62/651505162.db2.gz LGUHDWWBZDYSSH-CQSZACIVSA-N 1 2 380.491 2.088 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000603955954 651505168 /nfs/dbraw/zinc/50/51/68/651505168.db2.gz LGUHDWWBZDYSSH-CQSZACIVSA-N 1 2 380.491 2.088 20 0 GEADLO COCCS(=O)(=O)CCC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000727827944 651530091 /nfs/dbraw/zinc/53/00/91/651530091.db2.gz GQJXCLGUHXQRGK-UHFFFAOYSA-N 1 2 377.453 2.259 20 0 GEADLO O=C(c1ccccn1)N1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000728912834 651554969 /nfs/dbraw/zinc/55/49/69/651554969.db2.gz ZOPJITNIQATJLY-QGZVFWFLSA-N 1 2 390.281 2.336 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1csc(-c2ccccc2)n1)C[NH+]1CCOCC1 ZINC000606465958 651555362 /nfs/dbraw/zinc/55/53/62/651555362.db2.gz XKAJNAXDIIUCOO-AWEZNQCLSA-N 1 2 381.523 2.057 20 0 GEADLO O=C(NCCC[NH+]1CCOCC1)c1c(O)cnc2c(Br)cccc21 ZINC000564391588 651564002 /nfs/dbraw/zinc/56/40/02/651564002.db2.gz GVWLFKZNIGEVLO-UHFFFAOYSA-N 1 2 394.269 2.155 20 0 GEADLO CN(C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000607170312 651568236 /nfs/dbraw/zinc/56/82/36/651568236.db2.gz ZAGJRXWFJSDFQL-CYBMUJFWSA-N 1 2 386.543 2.027 20 0 GEADLO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)n1 ZINC000644919854 651577513 /nfs/dbraw/zinc/57/75/13/651577513.db2.gz JINVITUIBZMZID-AWEZNQCLSA-N 1 2 380.539 2.476 20 0 GEADLO Cc1nccc([C@H]2CCC[N@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)n1 ZINC000644919854 651577520 /nfs/dbraw/zinc/57/75/20/651577520.db2.gz JINVITUIBZMZID-AWEZNQCLSA-N 1 2 380.539 2.476 20 0 GEADLO Cn1c[nH+]c(CCN2C(=O)[C@H]3Cc4c(Br)cccc4CN3C2=O)c1 ZINC000565294843 651591500 /nfs/dbraw/zinc/59/15/00/651591500.db2.gz UJUQOSVZLBONTK-OAHLLOKOSA-N 1 2 389.253 2.114 20 0 GEADLO Cc1c[nH+]c(CCSc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)c(C)c1 ZINC000566210187 651602900 /nfs/dbraw/zinc/60/29/00/651602900.db2.gz PIYGYTCOJZGEOW-AWEZNQCLSA-N 1 2 380.539 2.139 20 0 GEADLO CC1(C)C(=O)N[C@H]1C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000566775659 651612052 /nfs/dbraw/zinc/61/20/52/651612052.db2.gz FQPKGRTVCGCQOP-HNNXBMFYSA-N 1 2 395.301 2.019 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(Br)cc2C)C1 ZINC000567131540 651617801 /nfs/dbraw/zinc/61/78/01/651617801.db2.gz OBJBRNSAQWWFFZ-AWEZNQCLSA-N 1 2 397.313 2.301 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(Br)cc2C)C1 ZINC000567131540 651617804 /nfs/dbraw/zinc/61/78/04/651617804.db2.gz OBJBRNSAQWWFFZ-AWEZNQCLSA-N 1 2 397.313 2.301 20 0 GEADLO CN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732036327 651642834 /nfs/dbraw/zinc/64/28/34/651642834.db2.gz PRNQJEQDFNFSOA-ZDUSSCGKSA-N 1 2 376.400 2.289 20 0 GEADLO CN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732036327 651642838 /nfs/dbraw/zinc/64/28/38/651642838.db2.gz PRNQJEQDFNFSOA-ZDUSSCGKSA-N 1 2 376.400 2.289 20 0 GEADLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CC[S@]1=O ZINC000610081537 651644404 /nfs/dbraw/zinc/64/44/04/651644404.db2.gz FFBKSTUSCSECIS-LADRHHBVSA-N 1 2 377.279 2.370 20 0 GEADLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)CC[S@]1=O ZINC000610081537 651644406 /nfs/dbraw/zinc/64/44/06/651644406.db2.gz FFBKSTUSCSECIS-LADRHHBVSA-N 1 2 377.279 2.370 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)Cc1cn[nH]c1 ZINC000610662184 651676347 /nfs/dbraw/zinc/67/63/47/651676347.db2.gz SYAHUVRGEHJQQJ-JTQLQIEISA-N 1 2 384.221 2.473 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)Cc1cn[nH]c1 ZINC000610662184 651676349 /nfs/dbraw/zinc/67/63/49/651676349.db2.gz SYAHUVRGEHJQQJ-JTQLQIEISA-N 1 2 384.221 2.473 20 0 GEADLO C[C@@H](SCc1nn(C)cc1Cl)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000568876830 651686079 /nfs/dbraw/zinc/68/60/79/651686079.db2.gz RAMLHLZBTOURAA-CYBMUJFWSA-N 1 2 379.917 2.439 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000646339549 651689666 /nfs/dbraw/zinc/68/96/66/651689666.db2.gz UZGRQGCMGWHNPJ-CQSZACIVSA-N 1 2 379.258 2.190 20 0 GEADLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@@H](N)c1cscn1)CC2 ZINC000646547768 651700724 /nfs/dbraw/zinc/70/07/24/651700724.db2.gz JQUKYRQPQPZNRV-HIFRSBDPSA-N 1 2 377.539 2.113 20 0 GEADLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@@H](N)c1cscn1)CC2 ZINC000646547768 651700727 /nfs/dbraw/zinc/70/07/27/651700727.db2.gz JQUKYRQPQPZNRV-HIFRSBDPSA-N 1 2 377.539 2.113 20 0 GEADLO C[N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1cc(Br)cs1 ZINC000569848794 651728613 /nfs/dbraw/zinc/72/86/13/651728613.db2.gz YBBPVIHDCZJOCW-UHFFFAOYSA-N 1 2 377.304 2.400 20 0 GEADLO C[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1cc(Br)cs1 ZINC000569848794 651728616 /nfs/dbraw/zinc/72/86/16/651728616.db2.gz YBBPVIHDCZJOCW-UHFFFAOYSA-N 1 2 377.304 2.400 20 0 GEADLO C[C@H]1CN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCS(=O)(=O)C1 ZINC000569887797 651731435 /nfs/dbraw/zinc/73/14/35/651731435.db2.gz ORCXHQJRQREEKN-XJKSGUPXSA-N 1 2 387.933 2.019 20 0 GEADLO COc1ncncc1C[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000647201958 651735941 /nfs/dbraw/zinc/73/59/41/651735941.db2.gz HMCKWPKIELPZAY-HNNXBMFYSA-N 1 2 391.269 2.451 20 0 GEADLO COc1ncncc1C[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000647209716 651736768 /nfs/dbraw/zinc/73/67/68/651736768.db2.gz XWZZKOSSNGWHQJ-UHFFFAOYSA-N 1 2 375.372 2.197 20 0 GEADLO O=C(CCCOc1cccc(Br)c1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000647679090 651754141 /nfs/dbraw/zinc/75/41/41/651754141.db2.gz NKWVYRIUJWMRAZ-MRXNPFEDSA-N 1 2 396.329 2.114 20 0 GEADLO O=C(CCCOc1cccc(Br)c1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000647679090 651754143 /nfs/dbraw/zinc/75/41/43/651754143.db2.gz NKWVYRIUJWMRAZ-MRXNPFEDSA-N 1 2 396.329 2.114 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000648013918 651769888 /nfs/dbraw/zinc/76/98/88/651769888.db2.gz WGEJCSFMRICFIY-LLVKDONJSA-N 1 2 399.257 2.174 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000648013918 651769891 /nfs/dbraw/zinc/76/98/91/651769891.db2.gz WGEJCSFMRICFIY-LLVKDONJSA-N 1 2 399.257 2.174 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000570661782 651781337 /nfs/dbraw/zinc/78/13/37/651781337.db2.gz QHPRQUVHBWJOKT-UHOFOFEASA-N 1 2 382.302 2.325 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000570661782 651781343 /nfs/dbraw/zinc/78/13/43/651781343.db2.gz QHPRQUVHBWJOKT-UHOFOFEASA-N 1 2 382.302 2.325 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000648767494 651800498 /nfs/dbraw/zinc/80/04/98/651800498.db2.gz RSUZFTKOKWPSIB-UHFFFAOYSA-N 1 2 389.265 2.437 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000648767494 651800501 /nfs/dbraw/zinc/80/05/01/651800501.db2.gz RSUZFTKOKWPSIB-UHFFFAOYSA-N 1 2 389.265 2.437 20 0 GEADLO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ncc(I)s2)C1=O ZINC000570964394 651802685 /nfs/dbraw/zinc/80/26/85/651802685.db2.gz MIJNNEXZCSBPCZ-MRVPVSSYSA-N 1 2 379.267 2.237 20 0 GEADLO Cc1nnc([C@H]2CC[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)[nH]1 ZINC000571292223 651823702 /nfs/dbraw/zinc/82/37/02/651823702.db2.gz SBHOBLPQSBMHNL-SWLSCSKDSA-N 1 2 390.285 2.470 20 0 GEADLO Cc1n[nH]c([C@H]2CC[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)n1 ZINC000571292223 651823706 /nfs/dbraw/zinc/82/37/06/651823706.db2.gz SBHOBLPQSBMHNL-SWLSCSKDSA-N 1 2 390.285 2.470 20 0 GEADLO Cc1n[nH]c([C@H]2CC[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)n1 ZINC000571292223 651823708 /nfs/dbraw/zinc/82/37/08/651823708.db2.gz SBHOBLPQSBMHNL-SWLSCSKDSA-N 1 2 390.285 2.470 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000649467656 651826770 /nfs/dbraw/zinc/82/67/70/651826770.db2.gz HDQFBISIUHXLGA-BETUJISGSA-N 1 2 376.906 2.126 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000649467656 651826772 /nfs/dbraw/zinc/82/67/72/651826772.db2.gz HDQFBISIUHXLGA-BETUJISGSA-N 1 2 376.906 2.126 20 0 GEADLO C[C@@H]1CC[C@@H]([N@H+](CCO)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000571569409 651841266 /nfs/dbraw/zinc/84/12/66/651841266.db2.gz BXDYAGMMNRTKNI-CHWSQXEVSA-N 1 2 388.917 2.165 20 0 GEADLO C[C@@H]1CC[C@@H]([N@@H+](CCO)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000571569409 651841268 /nfs/dbraw/zinc/84/12/68/651841268.db2.gz BXDYAGMMNRTKNI-CHWSQXEVSA-N 1 2 388.917 2.165 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000571591779 651842307 /nfs/dbraw/zinc/84/23/07/651842307.db2.gz YXPQNRLYDCLUIR-UHFFFAOYSA-N 1 2 395.276 2.209 20 0 GEADLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000650278179 651853364 /nfs/dbraw/zinc/85/33/64/651853364.db2.gz DGPQBKAZRSFXMB-CYBMUJFWSA-N 1 2 380.290 2.332 20 0 GEADLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000650278179 651853370 /nfs/dbraw/zinc/85/33/70/651853370.db2.gz DGPQBKAZRSFXMB-CYBMUJFWSA-N 1 2 380.290 2.332 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCC2(CC2(F)F)CC1 ZINC000650728717 651865133 /nfs/dbraw/zinc/86/51/33/651865133.db2.gz ODCKWEHSLHLHSY-INIZCTEOSA-N 1 2 375.485 2.025 20 0 GEADLO O=C(N1CCC[C@@H]([NH+]2CCOCC2)C1)C1(c2cncc(Br)c2)CC1 ZINC000615537669 651866240 /nfs/dbraw/zinc/86/62/40/651866240.db2.gz PLYFMALTWXZECA-MRXNPFEDSA-N 1 2 394.313 2.199 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NS(=O)(=O)c2cnc3ccsc3c2)CCO1 ZINC000572223427 651879747 /nfs/dbraw/zinc/87/97/47/651879747.db2.gz GLGSEVZIPGYLTM-NHYWBVRUSA-N 1 2 378.479 2.228 20 0 GEADLO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000651490118 651882707 /nfs/dbraw/zinc/88/27/07/651882707.db2.gz AVRFTMBILOQUTR-CABCVRRESA-N 1 2 395.297 2.248 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000616245107 651892259 /nfs/dbraw/zinc/89/22/59/651892259.db2.gz UPFIDBOZLYPALA-UHFFFAOYSA-N 1 2 377.242 2.319 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651742867 651894636 /nfs/dbraw/zinc/89/46/36/651894636.db2.gz ACOCJTCXFDBFOH-NXEZZACHSA-N 1 2 387.354 2.272 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651742867 651894638 /nfs/dbraw/zinc/89/46/38/651894638.db2.gz ACOCJTCXFDBFOH-NXEZZACHSA-N 1 2 387.354 2.272 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cccc(Br)c1F)C2 ZINC000572847501 651916629 /nfs/dbraw/zinc/91/66/29/651916629.db2.gz DBWKJRAFQSUVRS-NSHDSACASA-N 1 2 396.260 2.373 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000573531234 651962327 /nfs/dbraw/zinc/96/23/27/651962327.db2.gz PLGYJSFOPVLSJN-UHFFFAOYSA-N 1 2 380.246 2.011 20 0 GEADLO CO[C@@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1Br ZINC000654680864 651967368 /nfs/dbraw/zinc/96/73/68/651967368.db2.gz KKXMNPMTWDNKIL-OAHLLOKOSA-N 1 2 385.302 2.364 20 0 GEADLO CO[C@@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1Br ZINC000654680864 651967372 /nfs/dbraw/zinc/96/73/72/651967372.db2.gz KKXMNPMTWDNKIL-OAHLLOKOSA-N 1 2 385.302 2.364 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc(Br)cc3[nH]cnc32)[C@@H](C)CO1 ZINC000617723331 651967333 /nfs/dbraw/zinc/96/73/33/651967333.db2.gz LQNOFBFUUHGASZ-QWRGUYRKSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc3[nH]cnc32)[C@@H](C)CO1 ZINC000617723331 651967341 /nfs/dbraw/zinc/96/73/41/651967341.db2.gz LQNOFBFUUHGASZ-QWRGUYRKSA-N 1 2 381.274 2.164 20 0 GEADLO COc1ncc(NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)c(C)c1Br ZINC000617894137 651979986 /nfs/dbraw/zinc/97/99/86/651979986.db2.gz UZUZOEILSOFHNW-ZDUSSCGKSA-N 1 2 382.262 2.136 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=S)NCc1ccc(OC(F)(F)F)cc1 ZINC000742985202 652007136 /nfs/dbraw/zinc/00/71/36/652007136.db2.gz SSGDDCWJWYHQKL-LBPRGKRZSA-N 1 2 377.432 2.270 20 0 GEADLO NS(=O)(=O)c1cc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cs1 ZINC000574321471 652016374 /nfs/dbraw/zinc/01/63/74/652016374.db2.gz DWFVKZZDIMZNGJ-UHFFFAOYSA-N 1 2 396.881 2.165 20 0 GEADLO N[C@@](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)(c1cccc(Cl)c1)C(F)(F)F ZINC000574755088 652041404 /nfs/dbraw/zinc/04/14/04/652041404.db2.gz XALWFUFXOMZOJR-IINYFYTJSA-N 1 2 385.764 2.417 20 0 GEADLO Cc1nc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)ccc1I ZINC000619619905 652069656 /nfs/dbraw/zinc/06/96/56/652069656.db2.gz IYSIDQSYADSUKR-SNVBAGLBSA-N 1 2 382.205 2.392 20 0 GEADLO CCCN1C(=O)C(=O)N(C[N@H+](CC)Cc2cccc(Br)c2)C1=O ZINC000746026586 652094221 /nfs/dbraw/zinc/09/42/21/652094221.db2.gz NYKNYXDIMFRDRE-UHFFFAOYSA-N 1 2 382.258 2.429 20 0 GEADLO CCCN1C(=O)C(=O)N(C[N@@H+](CC)Cc2cccc(Br)c2)C1=O ZINC000746026586 652094226 /nfs/dbraw/zinc/09/42/26/652094226.db2.gz NYKNYXDIMFRDRE-UHFFFAOYSA-N 1 2 382.258 2.429 20 0 GEADLO O=[S@](CCN1CC[NH+](CCCCO)CC1)c1cc(Cl)ccc1Cl ZINC000746487946 652110439 /nfs/dbraw/zinc/11/04/39/652110439.db2.gz GPMBWLKUHZMHKL-HSZRJFAPSA-N 1 2 379.353 2.491 20 0 GEADLO CC(C)[C@@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC[NH2+]1 ZINC000621154476 652133087 /nfs/dbraw/zinc/13/30/87/652133087.db2.gz MBGRJZCSWVLDKC-HNNXBMFYSA-N 1 2 378.270 2.361 20 0 GEADLO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@@H]1CCn2cc[nH+]c2C1 ZINC000576653182 652134068 /nfs/dbraw/zinc/13/40/68/652134068.db2.gz LZAQVHURWWUGHK-TZMCWYRMSA-N 1 2 375.226 2.254 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(OC)ncc2Br)C1 ZINC000621312408 652148866 /nfs/dbraw/zinc/14/88/66/652148866.db2.gz UDJWXKLQHRDWNK-ZDUSSCGKSA-N 1 2 396.207 2.353 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(OC)ncc2Br)C1 ZINC000621312408 652148882 /nfs/dbraw/zinc/14/88/82/652148882.db2.gz UDJWXKLQHRDWNK-ZDUSSCGKSA-N 1 2 396.207 2.353 20 0 GEADLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1CO ZINC000621366328 652152423 /nfs/dbraw/zinc/15/24/23/652152423.db2.gz JMTIYSOZRGNSGF-OLZOCXBDSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1CO ZINC000621366328 652152429 /nfs/dbraw/zinc/15/24/29/652152429.db2.gz JMTIYSOZRGNSGF-OLZOCXBDSA-N 1 2 376.316 2.173 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)n1 ZINC000657448237 652165315 /nfs/dbraw/zinc/16/53/15/652165315.db2.gz JQZJQYQLVDIITJ-ZDUSSCGKSA-N 1 2 382.306 2.131 20 0 GEADLO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657466454 652166814 /nfs/dbraw/zinc/16/68/14/652166814.db2.gz WJBVQARMHNOHAL-UHFFFAOYSA-N 1 2 383.905 2.033 20 0 GEADLO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657485740 652167008 /nfs/dbraw/zinc/16/70/08/652167008.db2.gz QPCAERCVYYCIPD-ZDUSSCGKSA-N 1 2 396.333 2.440 20 0 GEADLO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000657530106 652170544 /nfs/dbraw/zinc/17/05/44/652170544.db2.gz FBGSJBZACXLWNE-SECBINFHSA-N 1 2 383.221 2.237 20 0 GEADLO Cc1ccc(-c2nc(NC(=O)C(=O)NCCn3cc[nH+]c3)sc2C)s1 ZINC000577286723 652177371 /nfs/dbraw/zinc/17/73/71/652177371.db2.gz XQXXVCJVVDFTGY-UHFFFAOYSA-N 1 2 375.479 2.440 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000748457049 652203216 /nfs/dbraw/zinc/20/32/16/652203216.db2.gz DPRNAFHTBUOMQL-OAHLLOKOSA-N 1 2 389.279 2.216 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000748457049 652203230 /nfs/dbraw/zinc/20/32/30/652203230.db2.gz DPRNAFHTBUOMQL-OAHLLOKOSA-N 1 2 389.279 2.216 20 0 GEADLO Cc1cccn2cc(CC(=O)N(C)CCn3cc(Br)cn3)[nH+]c12 ZINC000577798255 652216686 /nfs/dbraw/zinc/21/66/86/652216686.db2.gz FUYUCIKKUNFBPA-UHFFFAOYSA-N 1 2 376.258 2.303 20 0 GEADLO C[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1nc(C(F)(F)F)cs1 ZINC000577833001 652220473 /nfs/dbraw/zinc/22/04/73/652220473.db2.gz CKYVVMCOFLTZBE-MXWKQRLJSA-N 1 2 378.420 2.385 20 0 GEADLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1nc(C(F)(F)F)cs1 ZINC000577833001 652220483 /nfs/dbraw/zinc/22/04/83/652220483.db2.gz CKYVVMCOFLTZBE-MXWKQRLJSA-N 1 2 378.420 2.385 20 0 GEADLO O=S(=O)(c1cc(Br)sc1Cl)N1CC[NH2+]C[C@@H]1C(F)F ZINC000577869343 652224622 /nfs/dbraw/zinc/22/46/22/652224622.db2.gz FYBGRERKXVAAFL-RXMQYKEDSA-N 1 2 395.678 2.392 20 0 GEADLO COc1ccc(Br)cc1C1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623255812 652229165 /nfs/dbraw/zinc/22/91/65/652229165.db2.gz WSRCAXYDKOZIQG-GFCCVEGCSA-N 1 2 376.254 2.427 20 0 GEADLO O=S(=O)(NCC[NH2+]Cc1ncc(Br)cc1F)c1cccs1 ZINC000623469563 652239113 /nfs/dbraw/zinc/23/91/13/652239113.db2.gz GERGJRKCZUJCRU-UHFFFAOYSA-N 1 2 394.291 2.113 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1nccn1C ZINC000658338822 652254696 /nfs/dbraw/zinc/25/46/96/652254696.db2.gz MGOIOWQLRZHMEG-VHSXEESVSA-N 1 2 387.303 2.242 20 0 GEADLO Cc1oc(S(C)(=O)=O)cc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000624065793 652268762 /nfs/dbraw/zinc/26/87/62/652268762.db2.gz QSWBSFJLDMWZFK-UHFFFAOYSA-N 1 2 386.539 2.083 20 0 GEADLO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000624856793 652306806 /nfs/dbraw/zinc/30/68/06/652306806.db2.gz BEDNANBMNCVYJR-SNVBAGLBSA-N 1 2 376.251 2.460 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccncc1Br ZINC000625090226 652326669 /nfs/dbraw/zinc/32/66/69/652326669.db2.gz NWUVEMMXKNYQJG-CYBMUJFWSA-N 1 2 376.320 2.138 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccncc1Br ZINC000625090226 652326675 /nfs/dbraw/zinc/32/66/75/652326675.db2.gz NWUVEMMXKNYQJG-CYBMUJFWSA-N 1 2 376.320 2.138 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000579776396 652353755 /nfs/dbraw/zinc/35/37/55/652353755.db2.gz LHRZFGKCWLQZIA-KRWDZBQOSA-N 1 2 382.917 2.382 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000579776396 652353758 /nfs/dbraw/zinc/35/37/58/652353758.db2.gz LHRZFGKCWLQZIA-KRWDZBQOSA-N 1 2 382.917 2.382 20 0 GEADLO CCS(=O)(=O)N1CC[N@H+](CCCc2nc(-c3cccs3)no2)[C@H](C)C1 ZINC000579868942 652358454 /nfs/dbraw/zinc/35/84/54/652358454.db2.gz RSUULIUEALPTEX-CYBMUJFWSA-N 1 2 384.527 2.087 20 0 GEADLO CCS(=O)(=O)N1CC[N@@H+](CCCc2nc(-c3cccs3)no2)[C@H](C)C1 ZINC000579868942 652358456 /nfs/dbraw/zinc/35/84/56/652358456.db2.gz RSUULIUEALPTEX-CYBMUJFWSA-N 1 2 384.527 2.087 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C[C@H]2CSCCS2)CC1 ZINC000751601226 652361282 /nfs/dbraw/zinc/36/12/82/652361282.db2.gz QGWOYMMLDZDNLQ-AWEZNQCLSA-N 1 2 379.551 2.251 20 0 GEADLO Cc1nc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(C)s1 ZINC000751786626 652367075 /nfs/dbraw/zinc/36/70/75/652367075.db2.gz XYPABYATGVUELH-UHFFFAOYSA-N 1 2 379.507 2.323 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000580111890 652367324 /nfs/dbraw/zinc/36/73/24/652367324.db2.gz BDRPJCWRBSZMQK-OAHLLOKOSA-N 1 2 382.233 2.464 20 0 GEADLO Cn1c[nH+]cc1CNS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000580129777 652367649 /nfs/dbraw/zinc/36/76/49/652367649.db2.gz QUMDSHWOJLGUTP-UHFFFAOYSA-N 1 2 382.642 2.454 20 0 GEADLO C[C@H](CC(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1)n1cc[nH+]c1 ZINC000580197040 652370427 /nfs/dbraw/zinc/37/04/27/652370427.db2.gz OSSQYVGCAWOOCI-ABAIWWIYSA-N 1 2 379.258 2.282 20 0 GEADLO COc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1Br ZINC000625868065 652373762 /nfs/dbraw/zinc/37/37/62/652373762.db2.gz NDSSSFHQZXAJKM-CQSZACIVSA-N 1 2 383.286 2.395 20 0 GEADLO C[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)CC(C)(C)CN1CCOCC1 ZINC000752086371 652378603 /nfs/dbraw/zinc/37/86/03/652378603.db2.gz KWMJQSCQJJOBKB-UHFFFAOYSA-N 1 2 388.961 2.404 20 0 GEADLO C[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)CC(C)(C)CN1CCOCC1 ZINC000752086371 652378605 /nfs/dbraw/zinc/37/86/05/652378605.db2.gz KWMJQSCQJJOBKB-UHFFFAOYSA-N 1 2 388.961 2.404 20 0 GEADLO CSCc1cnc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)s1 ZINC000580410571 652379815 /nfs/dbraw/zinc/37/98/15/652379815.db2.gz WDTMHUYXKXQBGD-UHFFFAOYSA-N 1 2 393.506 2.352 20 0 GEADLO NS(=O)(=O)NC1CC[NH+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000626035078 652380374 /nfs/dbraw/zinc/38/03/74/652380374.db2.gz BIPIWYXFBBYQLL-UHFFFAOYSA-N 1 2 386.930 2.221 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000626168683 652383006 /nfs/dbraw/zinc/38/30/06/652383006.db2.gz XEARZQVUIAPLFK-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000626168683 652383007 /nfs/dbraw/zinc/38/30/07/652383007.db2.gz XEARZQVUIAPLFK-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000626168838 652383152 /nfs/dbraw/zinc/38/31/52/652383152.db2.gz AKFHTRGNCUCIGL-KGLIPLIRSA-N 1 2 387.933 2.237 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000626168838 652383155 /nfs/dbraw/zinc/38/31/55/652383155.db2.gz AKFHTRGNCUCIGL-KGLIPLIRSA-N 1 2 387.933 2.237 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000626168837 652383461 /nfs/dbraw/zinc/38/34/61/652383461.db2.gz AKFHTRGNCUCIGL-KBPBESRZSA-N 1 2 387.933 2.237 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000626168837 652383464 /nfs/dbraw/zinc/38/34/64/652383464.db2.gz AKFHTRGNCUCIGL-KBPBESRZSA-N 1 2 387.933 2.237 20 0 GEADLO O=S(=O)(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(Br)cn1 ZINC000660133240 652389373 /nfs/dbraw/zinc/38/93/73/652389373.db2.gz XZJCVGOIIYPVOM-HNNXBMFYSA-N 1 2 396.310 2.397 20 0 GEADLO O=S(=O)(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc(Br)cn1 ZINC000660133240 652389375 /nfs/dbraw/zinc/38/93/75/652389375.db2.gz XZJCVGOIIYPVOM-HNNXBMFYSA-N 1 2 396.310 2.397 20 0 GEADLO COc1cccc(SCC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000660134061 652389557 /nfs/dbraw/zinc/38/95/57/652389557.db2.gz FLYQHGCFCQMIHF-WBVHZDCISA-N 1 2 385.551 2.455 20 0 GEADLO COc1cccc(SCC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000660134061 652389559 /nfs/dbraw/zinc/38/95/59/652389559.db2.gz FLYQHGCFCQMIHF-WBVHZDCISA-N 1 2 385.551 2.455 20 0 GEADLO C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000752941063 652396723 /nfs/dbraw/zinc/39/67/23/652396723.db2.gz NPRBVPJRLWHLLG-HSMVNMDESA-N 1 2 390.311 2.435 20 0 GEADLO C[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000752941063 652396725 /nfs/dbraw/zinc/39/67/25/652396725.db2.gz NPRBVPJRLWHLLG-HSMVNMDESA-N 1 2 390.311 2.435 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2Cl)C1 ZINC000660409007 652401065 /nfs/dbraw/zinc/40/10/65/652401065.db2.gz RMTXSHROJKEMEP-HNNXBMFYSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2Cl)C1 ZINC000660409007 652401070 /nfs/dbraw/zinc/40/10/70/652401070.db2.gz RMTXSHROJKEMEP-HNNXBMFYSA-N 1 2 390.933 2.221 20 0 GEADLO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660474880 652403582 /nfs/dbraw/zinc/40/35/82/652403582.db2.gz OEXOXCYYHZZVNN-YOEHRIQHSA-N 1 2 396.329 2.496 20 0 GEADLO C[C@H]([C@H](C)NC(=O)N[C@@H](CO)c1cccc(Cl)c1Cl)[NH+]1CCOCC1 ZINC000660707100 652411089 /nfs/dbraw/zinc/41/10/89/652411089.db2.gz LXCOOUYKERTIHQ-ZOWXZIJZSA-N 1 2 390.311 2.435 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Br)cnc2OC)C1 ZINC000660906689 652414151 /nfs/dbraw/zinc/41/41/51/652414151.db2.gz VLAIGGBNEFKLMV-CYBMUJFWSA-N 1 2 396.207 2.353 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Br)cnc2OC)C1 ZINC000660906689 652414152 /nfs/dbraw/zinc/41/41/52/652414152.db2.gz VLAIGGBNEFKLMV-CYBMUJFWSA-N 1 2 396.207 2.353 20 0 GEADLO COc1cncc(/C=C\CC[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1 ZINC000661190893 652423545 /nfs/dbraw/zinc/42/35/45/652423545.db2.gz ZIRHREDAWBHAMU-KJCWAXEUSA-N 1 2 378.416 2.401 20 0 GEADLO COc1cncc(/C=C\CC[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1 ZINC000661190893 652423549 /nfs/dbraw/zinc/42/35/49/652423549.db2.gz ZIRHREDAWBHAMU-KJCWAXEUSA-N 1 2 378.416 2.401 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C[C@@H]1C ZINC000754045875 652425341 /nfs/dbraw/zinc/42/53/41/652425341.db2.gz BGXBWFUORKBMKL-JTQLQIEISA-N 1 2 395.308 2.495 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C[C@@H]1C ZINC000754045875 652425345 /nfs/dbraw/zinc/42/53/45/652425345.db2.gz BGXBWFUORKBMKL-JTQLQIEISA-N 1 2 395.308 2.495 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)C[C@@H]1C ZINC000754048897 652425769 /nfs/dbraw/zinc/42/57/69/652425769.db2.gz XLKFUMOIWFZCAT-JTQLQIEISA-N 1 2 395.294 2.312 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)C[C@@H]1C ZINC000754048897 652425772 /nfs/dbraw/zinc/42/57/72/652425772.db2.gz XLKFUMOIWFZCAT-JTQLQIEISA-N 1 2 395.294 2.312 20 0 GEADLO CSc1ccc(NC(=O)C(=O)NCCc2cn(C)c[nH+]2)cc1Br ZINC000627604180 652435057 /nfs/dbraw/zinc/43/50/57/652435057.db2.gz QNRVJODTASSNPJ-UHFFFAOYSA-N 1 2 397.298 2.202 20 0 GEADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@H](C)[C@H]1O ZINC000661628808 652435759 /nfs/dbraw/zinc/43/57/59/652435759.db2.gz VYYZCCVNPAXAIH-JYAVWHMHSA-N 1 2 376.316 2.172 20 0 GEADLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@H](C)[C@H]1O ZINC000661628808 652435761 /nfs/dbraw/zinc/43/57/61/652435761.db2.gz VYYZCCVNPAXAIH-JYAVWHMHSA-N 1 2 376.316 2.172 20 0 GEADLO C[N@H+](CCn1nc2ccccn2c1=O)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661639213 652436075 /nfs/dbraw/zinc/43/60/75/652436075.db2.gz PLXQJEHOHGZKMW-AWEZNQCLSA-N 1 2 381.263 2.468 20 0 GEADLO C[N@@H+](CCn1nc2ccccn2c1=O)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661639213 652436078 /nfs/dbraw/zinc/43/60/78/652436078.db2.gz PLXQJEHOHGZKMW-AWEZNQCLSA-N 1 2 381.263 2.468 20 0 GEADLO Cc1cc(S(N)(=O)=O)sc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754497026 652437475 /nfs/dbraw/zinc/43/74/75/652437475.db2.gz CLDAUINZQVZCTG-UHFFFAOYSA-N 1 2 377.447 2.247 20 0 GEADLO CC(C)C[NH+]1CCN(C(=O)c2cccc(I)c2O)CC1 ZINC000754883261 652450551 /nfs/dbraw/zinc/45/05/51/652450551.db2.gz JOALIESUMJCMST-UHFFFAOYSA-N 1 2 388.249 2.411 20 0 GEADLO COCCC[N@H+](Cc1ccc(F)c(F)c1N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000628122173 652452091 /nfs/dbraw/zinc/45/20/91/652452091.db2.gz MXMYWXGBGRUELC-CQSZACIVSA-N 1 2 376.469 2.056 20 0 GEADLO COCCC[N@@H+](Cc1ccc(F)c(F)c1N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000628122173 652452094 /nfs/dbraw/zinc/45/20/94/652452094.db2.gz MXMYWXGBGRUELC-CQSZACIVSA-N 1 2 376.469 2.056 20 0 GEADLO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000582495779 652452776 /nfs/dbraw/zinc/45/27/76/652452776.db2.gz AARPBRFVOSUBCR-LLVKDONJSA-N 1 2 378.416 2.067 20 0 GEADLO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000582495779 652452778 /nfs/dbraw/zinc/45/27/78/652452778.db2.gz AARPBRFVOSUBCR-LLVKDONJSA-N 1 2 378.416 2.067 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc2cc(Cl)sc2[nH]1 ZINC000582578839 652455722 /nfs/dbraw/zinc/45/57/22/652455722.db2.gz FJEGWTNEGVLELK-UHFFFAOYSA-N 1 2 379.873 2.664 20 0 GEADLO CC1=CC[N@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000755767613 652476013 /nfs/dbraw/zinc/47/60/13/652476013.db2.gz ZADDBWHJIMENOL-UHFFFAOYSA-N 1 2 378.226 2.354 20 0 GEADLO CC1=CC[N@@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000755767613 652476020 /nfs/dbraw/zinc/47/60/20/652476020.db2.gz ZADDBWHJIMENOL-UHFFFAOYSA-N 1 2 378.226 2.354 20 0 GEADLO COCCN1C(=O)C[C@@H]([N@@H+]2CC[C@H](c3cccc(Br)c3)C2)C1=O ZINC000583243830 652478556 /nfs/dbraw/zinc/47/85/56/652478556.db2.gz UWUVEFHOICZDGS-DZGCQCFKSA-N 1 2 381.270 2.012 20 0 GEADLO COCCN1C(=O)C[C@@H]([N@H+]2CC[C@H](c3cccc(Br)c3)C2)C1=O ZINC000583243830 652478559 /nfs/dbraw/zinc/47/85/59/652478559.db2.gz UWUVEFHOICZDGS-DZGCQCFKSA-N 1 2 381.270 2.012 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc(Br)ccc2F)[C@H](C)CO1 ZINC000663678611 652508414 /nfs/dbraw/zinc/50/84/14/652508414.db2.gz QPYCRKDAQSSYSJ-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(Br)ccc2F)[C@H](C)CO1 ZINC000663678611 652508415 /nfs/dbraw/zinc/50/84/15/652508415.db2.gz QPYCRKDAQSSYSJ-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO Cc1cc(S(=O)(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)sc1C ZINC000584116585 652509652 /nfs/dbraw/zinc/50/96/52/652509652.db2.gz CYOJUESOWPBYJW-UHFFFAOYSA-N 1 2 379.511 2.186 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1ccc(Br)c(F)c1 ZINC000663862693 652513787 /nfs/dbraw/zinc/51/37/87/652513787.db2.gz CUOUYIFWULBPKP-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1ccc(Br)c(F)c1 ZINC000663862693 652513791 /nfs/dbraw/zinc/51/37/91/652513791.db2.gz CUOUYIFWULBPKP-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO O=C(NCCNc1cc(N2CCCC2)nc[nH+]1)c1ccc(Br)cn1 ZINC000664177148 652522158 /nfs/dbraw/zinc/52/21/58/652522158.db2.gz XRKLSHQXZJPNGI-UHFFFAOYSA-N 1 2 391.273 2.076 20 0 GEADLO O=C(NCCNc1cc(N2CCCC2)[nH+]cn1)c1ccc(Br)cn1 ZINC000664177148 652522163 /nfs/dbraw/zinc/52/21/63/652522163.db2.gz XRKLSHQXZJPNGI-UHFFFAOYSA-N 1 2 391.273 2.076 20 0 GEADLO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000631539064 652526912 /nfs/dbraw/zinc/52/69/12/652526912.db2.gz VHKYUNITTMUSLF-CQSZACIVSA-N 1 2 393.285 2.034 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2cscc2Br)C[C@H](C)O1 ZINC000631702573 652531561 /nfs/dbraw/zinc/53/15/61/652531561.db2.gz OZKAUFZJUKPVCW-PHIMTYICSA-N 1 2 397.360 2.288 20 0 GEADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cscc2Br)C[C@H](C)O1 ZINC000631702573 652531566 /nfs/dbraw/zinc/53/15/66/652531566.db2.gz OZKAUFZJUKPVCW-PHIMTYICSA-N 1 2 397.360 2.288 20 0 GEADLO O=C(Cc1ccccc1I)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587036215 652544311 /nfs/dbraw/zinc/54/43/11/652544311.db2.gz PGZBZVDAHISYMY-LBPRGKRZSA-N 1 2 381.217 2.161 20 0 GEADLO O=S(=O)(Cc1ncsc1Br)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000632087197 652550549 /nfs/dbraw/zinc/55/05/49/652550549.db2.gz ORQFAMIGKWGPOZ-VIFPVBQESA-N 1 2 391.316 2.338 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N(C)CCS(=O)(=O)CC)c1ccsc1 ZINC000758679598 652552157 /nfs/dbraw/zinc/55/21/57/652552157.db2.gz CWSXAQCSLCYOOH-OAHLLOKOSA-N 1 2 375.560 2.207 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000759122365 652563957 /nfs/dbraw/zinc/56/39/57/652563957.db2.gz AROVWTUBMTYNSD-WFASDCNBSA-N 1 2 381.325 2.431 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000759122365 652563960 /nfs/dbraw/zinc/56/39/60/652563960.db2.gz AROVWTUBMTYNSD-WFASDCNBSA-N 1 2 381.325 2.431 20 0 GEADLO O=S(=O)(C[C@H]1CCC(F)(F)C1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680414 652574222 /nfs/dbraw/zinc/57/42/22/652574222.db2.gz LRGLLSUDMMEERV-AWEZNQCLSA-N 1 2 391.509 2.490 20 0 GEADLO CCc1ncc(S(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000632680854 652574790 /nfs/dbraw/zinc/57/47/90/652574790.db2.gz WXMBBORCHPZDKB-UHFFFAOYSA-N 1 2 384.552 2.132 20 0 GEADLO CCS(=O)(=O)CCN(C)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000759510598 652576215 /nfs/dbraw/zinc/57/62/15/652576215.db2.gz ODYSFFHRUFULEF-OAHLLOKOSA-N 1 2 375.922 2.019 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000666537976 652579146 /nfs/dbraw/zinc/57/91/46/652579146.db2.gz JHESJXABIJLRLT-UHFFFAOYSA-N 1 2 390.311 2.484 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000632792158 652579876 /nfs/dbraw/zinc/57/98/76/652579876.db2.gz FFWBTFXWVHCUBY-LBPRGKRZSA-N 1 2 379.448 2.360 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000592193516 652590100 /nfs/dbraw/zinc/59/01/00/652590100.db2.gz AWAAJVAMQZGBFP-JSGCOSHPSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000592193516 652590103 /nfs/dbraw/zinc/59/01/03/652590103.db2.gz AWAAJVAMQZGBFP-JSGCOSHPSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000592200352 652590819 /nfs/dbraw/zinc/59/08/19/652590819.db2.gz VZDKVMYCTVZXLX-DMDPSCGWSA-N 1 2 389.279 2.026 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000592200352 652590827 /nfs/dbraw/zinc/59/08/27/652590827.db2.gz VZDKVMYCTVZXLX-DMDPSCGWSA-N 1 2 389.279 2.026 20 0 GEADLO Cc1cc(C)c(NC(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)c(C)[nH+]1 ZINC000667119639 652592655 /nfs/dbraw/zinc/59/26/55/652592655.db2.gz YLOSJKUXTRQKTP-UHFFFAOYSA-N 1 2 380.495 2.306 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C(F)(F)F)n1 ZINC000667160001 652594738 /nfs/dbraw/zinc/59/47/38/652594738.db2.gz NPERFZPAXYYGBF-TUAOUCFPSA-N 1 2 380.436 2.463 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C(F)(F)F)n1 ZINC000667160001 652594740 /nfs/dbraw/zinc/59/47/40/652594740.db2.gz NPERFZPAXYYGBF-TUAOUCFPSA-N 1 2 380.436 2.463 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C[C@H]1C ZINC000592441603 652595227 /nfs/dbraw/zinc/59/52/27/652595227.db2.gz KCGCOZWVDJLWES-BREBYQMCSA-N 1 2 385.247 2.366 20 0 GEADLO COC(=O)[C@@H]1C[N@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C[C@H]1C ZINC000592441603 652595233 /nfs/dbraw/zinc/59/52/33/652595233.db2.gz KCGCOZWVDJLWES-BREBYQMCSA-N 1 2 385.247 2.366 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C2SCCS2)cc1 ZINC000760206478 652598934 /nfs/dbraw/zinc/59/89/34/652598934.db2.gz VCPCPAHTPJVXLY-AWEZNQCLSA-N 1 2 377.491 2.402 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C2SCCS2)cc1 ZINC000760206478 652598937 /nfs/dbraw/zinc/59/89/37/652598937.db2.gz VCPCPAHTPJVXLY-AWEZNQCLSA-N 1 2 377.491 2.402 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000592532047 652598922 /nfs/dbraw/zinc/59/89/22/652598922.db2.gz MBTVCFQTBWEEPV-WDEREUQCSA-N 1 2 394.212 2.406 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000592532047 652598925 /nfs/dbraw/zinc/59/89/25/652598925.db2.gz MBTVCFQTBWEEPV-WDEREUQCSA-N 1 2 394.212 2.406 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000592532692 652599196 /nfs/dbraw/zinc/59/91/96/652599196.db2.gz OTRDFPSFBGGCNK-GXTWGEPZSA-N 1 2 394.269 2.195 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000592532692 652599200 /nfs/dbraw/zinc/59/92/00/652599200.db2.gz OTRDFPSFBGGCNK-GXTWGEPZSA-N 1 2 394.269 2.195 20 0 GEADLO O=C(c1cccc(Br)c1O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000592832929 652603823 /nfs/dbraw/zinc/60/38/23/652603823.db2.gz RIRDBVZTRPIMDB-CYBMUJFWSA-N 1 2 383.286 2.482 20 0 GEADLO O=C(c1cccc(Br)c1O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000592832929 652603827 /nfs/dbraw/zinc/60/38/27/652603827.db2.gz RIRDBVZTRPIMDB-CYBMUJFWSA-N 1 2 383.286 2.482 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2csc(CCC(F)(F)F)n2)[C@H](C)CO1 ZINC000633618440 652604096 /nfs/dbraw/zinc/60/40/96/652604096.db2.gz PVFFFPYDTPUTSO-VXGBXAGGSA-N 1 2 379.448 2.406 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2csc(CCC(F)(F)F)n2)[C@H](C)CO1 ZINC000633618440 652604098 /nfs/dbraw/zinc/60/40/98/652604098.db2.gz PVFFFPYDTPUTSO-VXGBXAGGSA-N 1 2 379.448 2.406 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000633618434 652604144 /nfs/dbraw/zinc/60/41/44/652604144.db2.gz PVFFFPYDTPUTSO-NEPJUHHUSA-N 1 2 379.448 2.406 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000633618434 652604146 /nfs/dbraw/zinc/60/41/46/652604146.db2.gz PVFFFPYDTPUTSO-NEPJUHHUSA-N 1 2 379.448 2.406 20 0 GEADLO O=C(C1CC[NH+](Cc2c(F)cncc2Br)CC1)N1CCOCC1 ZINC000667482202 652607399 /nfs/dbraw/zinc/60/73/99/652607399.db2.gz WDADIILWLHXXCC-UHFFFAOYSA-N 1 2 386.265 2.054 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(Cc2cncc(Br)c2C)CC1 ZINC000667491456 652607851 /nfs/dbraw/zinc/60/78/51/652607851.db2.gz RNEJEZGTPYDIMQ-UHFFFAOYSA-N 1 2 383.334 2.139 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2c(F)cncc2Br)CC1 ZINC000667687974 652617846 /nfs/dbraw/zinc/61/78/46/652617846.db2.gz BUZQZAFABGCYEG-CYBMUJFWSA-N 1 2 399.308 2.112 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1c(Cl)cccc1Br ZINC000668253782 652635227 /nfs/dbraw/zinc/63/52/27/652635227.db2.gz JSZMSZOHIUQIDL-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1c(Cl)cccc1Br ZINC000668253782 652635229 /nfs/dbraw/zinc/63/52/29/652635229.db2.gz JSZMSZOHIUQIDL-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO COCC[N@H+](CCC(=O)OC)Cc1ccc(OC)c(O)c1Br ZINC000761198528 652636508 /nfs/dbraw/zinc/63/65/08/652636508.db2.gz JXSYZVBBVJQKKR-UHFFFAOYSA-N 1 2 376.247 2.175 20 0 GEADLO COCC[N@@H+](CCC(=O)OC)Cc1ccc(OC)c(O)c1Br ZINC000761198528 652636516 /nfs/dbraw/zinc/63/65/16/652636516.db2.gz JXSYZVBBVJQKKR-UHFFFAOYSA-N 1 2 376.247 2.175 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2I)C1 ZINC000761229029 652637244 /nfs/dbraw/zinc/63/72/44/652637244.db2.gz REQVDOCEFVQCSU-CYBMUJFWSA-N 1 2 385.249 2.327 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccccc2I)C1 ZINC000761229029 652637246 /nfs/dbraw/zinc/63/72/46/652637246.db2.gz REQVDOCEFVQCSU-CYBMUJFWSA-N 1 2 385.249 2.327 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634513308 652641847 /nfs/dbraw/zinc/64/18/47/652641847.db2.gz NOLXLPDIOUNINE-UHFFFAOYSA-N 1 2 375.270 2.240 20 0 GEADLO O=S(=O)(N[C@H]1CCn2c[nH+]cc2C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000634660904 652651721 /nfs/dbraw/zinc/65/17/21/652651721.db2.gz FEJCXHPRZGMJEG-VIFPVBQESA-N 1 2 377.800 2.431 20 0 GEADLO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000634661481 652652438 /nfs/dbraw/zinc/65/24/38/652652438.db2.gz UFFBTBKYPRYIBL-LLVKDONJSA-N 1 2 399.314 2.005 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@H](C)c3cccc(Br)c3)C[C@H]21 ZINC000668633478 652655255 /nfs/dbraw/zinc/65/52/55/652655255.db2.gz NMLCLXHNEXGNBZ-KSYCFECVSA-N 1 2 388.327 2.296 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@H](C)c3cccc(Br)c3)C[C@H]21 ZINC000668633478 652655265 /nfs/dbraw/zinc/65/52/65/652655265.db2.gz NMLCLXHNEXGNBZ-KSYCFECVSA-N 1 2 388.327 2.296 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)C[C@H]1C ZINC000594464917 652658657 /nfs/dbraw/zinc/65/86/57/652658657.db2.gz BNXOWTJAHVWPCK-GHMZBOCLSA-N 1 2 392.880 2.369 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)C[C@H]1C ZINC000594464917 652658663 /nfs/dbraw/zinc/65/86/63/652658663.db2.gz BNXOWTJAHVWPCK-GHMZBOCLSA-N 1 2 392.880 2.369 20 0 GEADLO Cc1nn(C)c(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)c1Br ZINC000668876349 652672265 /nfs/dbraw/zinc/67/22/65/652672265.db2.gz YJQRUEQTZNVODS-UHFFFAOYSA-N 1 2 391.317 2.440 20 0 GEADLO Cc1nn(C)c(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)c1Br ZINC000668876349 652672270 /nfs/dbraw/zinc/67/22/70/652672270.db2.gz YJQRUEQTZNVODS-UHFFFAOYSA-N 1 2 391.317 2.440 20 0 GEADLO Cc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000634978018 652680012 /nfs/dbraw/zinc/68/00/12/652680012.db2.gz QRIWZCLXWWMXKW-HNNXBMFYSA-N 1 2 382.302 2.374 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)NCC[S@](C)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762579348 652704756 /nfs/dbraw/zinc/70/47/56/652704756.db2.gz ZECVRNOEZBKRST-VQGQKXPLSA-N 1 2 375.897 2.150 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)NCC[S@](C)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762579348 652704768 /nfs/dbraw/zinc/70/47/68/652704768.db2.gz ZECVRNOEZBKRST-VQGQKXPLSA-N 1 2 375.897 2.150 20 0 GEADLO CC(C)CNC(=O)[C@H]1CSCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635460318 652731409 /nfs/dbraw/zinc/73/14/09/652731409.db2.gz JTJOOPPCUAKGHK-VXGBXAGGSA-N 1 2 378.420 2.050 20 0 GEADLO COC(=O)[C@@H](c1ccccc1Br)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000595507193 652731501 /nfs/dbraw/zinc/73/15/01/652731501.db2.gz KVARCOYQOATCCW-RHSMWYFYSA-N 1 2 397.313 2.460 20 0 GEADLO CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635469989 652733130 /nfs/dbraw/zinc/73/31/30/652733130.db2.gz SKZFJWWJKGXCPM-WDEREUQCSA-N 1 2 378.420 2.193 20 0 GEADLO O=C(C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl)NC(=O)NCc1ccco1 ZINC000595827924 652737411 /nfs/dbraw/zinc/73/74/11/652737411.db2.gz FPMNTALVLTUTHC-ZDUSSCGKSA-N 1 2 386.235 2.235 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635864999 652761559 /nfs/dbraw/zinc/76/15/59/652761559.db2.gz NXEBMQJBBCUIJH-MGPQQGTHSA-N 1 2 389.253 2.197 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635864999 652761570 /nfs/dbraw/zinc/76/15/70/652761570.db2.gz NXEBMQJBBCUIJH-MGPQQGTHSA-N 1 2 389.253 2.197 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(I)c2)C1 ZINC000597224218 652776366 /nfs/dbraw/zinc/77/63/66/652776366.db2.gz AKAZHVCJZVNFCY-CQSZACIVSA-N 1 2 387.265 2.479 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(I)c2)C1 ZINC000597224218 652776369 /nfs/dbraw/zinc/77/63/69/652776369.db2.gz AKAZHVCJZVNFCY-CQSZACIVSA-N 1 2 387.265 2.479 20 0 GEADLO Cn1ncc2c1nc(C[NH2+][C@H](c1cncc(Br)c1)C1CC1)[nH]c2=O ZINC000671250414 652789493 /nfs/dbraw/zinc/78/94/93/652789493.db2.gz XTFFZRWONRSODH-AWEZNQCLSA-N 1 2 389.257 2.467 20 0 GEADLO Cc1ccc(Br)cc1CNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000671349691 652792633 /nfs/dbraw/zinc/79/26/33/652792633.db2.gz GTRZDCKYNYZCCN-UHFFFAOYSA-N 1 2 393.285 2.167 20 0 GEADLO Cn1ncc(Br)c1CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000636313066 652797113 /nfs/dbraw/zinc/79/71/13/652797113.db2.gz RHTMBKXRDKUVQC-JTQLQIEISA-N 1 2 380.168 2.189 20 0 GEADLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(OC)ncc1Br ZINC000598608793 652824150 /nfs/dbraw/zinc/82/41/50/652824150.db2.gz PTWHEBRHKMXMNX-CHWSQXEVSA-N 1 2 387.274 2.395 20 0 GEADLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(OC)ncc1Br ZINC000598608793 652824152 /nfs/dbraw/zinc/82/41/52/652824152.db2.gz PTWHEBRHKMXMNX-CHWSQXEVSA-N 1 2 387.274 2.395 20 0 GEADLO CCNC(=O)CCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000672113175 652827300 /nfs/dbraw/zinc/82/73/00/652827300.db2.gz VPXDQIKOQUXDHG-UHFFFAOYSA-N 1 2 397.273 2.184 20 0 GEADLO C[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000636975298 652832823 /nfs/dbraw/zinc/83/28/23/652832823.db2.gz GIJFKNIHAWPRAV-IINYFYTJSA-N 1 2 396.340 2.328 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@H]1CCOc2c(Br)cccc21 ZINC000637123035 652840159 /nfs/dbraw/zinc/84/01/59/652840159.db2.gz UYWBELMFQSTXOG-HZMBPMFUSA-N 1 2 377.242 2.393 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cccc(F)c1I ZINC000598948498 652842153 /nfs/dbraw/zinc/84/21/53/652842153.db2.gz QTKSZWGRLNCTJG-VIFPVBQESA-N 1 2 385.180 2.372 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccc(F)c(I)c1 ZINC000598949012 652842357 /nfs/dbraw/zinc/84/23/57/652842357.db2.gz RVQDOAPMWIKFCF-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO COC(=O)N(C)CC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000766024980 652862684 /nfs/dbraw/zinc/86/26/84/652862684.db2.gz URIJSSNRYIXPDP-UHFFFAOYSA-N 1 2 388.295 2.378 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)C[C@@H]1C ZINC000673571280 652870686 /nfs/dbraw/zinc/87/06/86/652870686.db2.gz HQSXFXDJXOQRAF-NSHDSACASA-N 1 2 389.905 2.022 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)C[C@@H]1C ZINC000673571280 652870691 /nfs/dbraw/zinc/87/06/91/652870691.db2.gz HQSXFXDJXOQRAF-NSHDSACASA-N 1 2 389.905 2.022 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599437176 652871414 /nfs/dbraw/zinc/87/14/14/652871414.db2.gz PBOFXZUDXWBERX-ABAIWWIYSA-N 1 2 386.876 2.422 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599437176 652871417 /nfs/dbraw/zinc/87/14/17/652871417.db2.gz PBOFXZUDXWBERX-ABAIWWIYSA-N 1 2 386.876 2.422 20 0 GEADLO Ic1ccc(CN2CC[NH+](Cc3cn[nH]c3)CC2)cc1 ZINC000599438668 652871962 /nfs/dbraw/zinc/87/19/62/652871962.db2.gz GEPMOGGQGWSULO-UHFFFAOYSA-N 1 2 382.249 2.332 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(OC)c(OC)c2Br)C1 ZINC000599561733 652877839 /nfs/dbraw/zinc/87/78/39/652877839.db2.gz CPIGTTIMSGOSEV-INIZCTEOSA-N 1 2 388.258 2.230 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(OC)c(OC)c2Br)C1 ZINC000599561733 652877843 /nfs/dbraw/zinc/87/78/43/652877843.db2.gz CPIGTTIMSGOSEV-INIZCTEOSA-N 1 2 388.258 2.230 20 0 GEADLO Brc1cnn(C2CC[NH+](Cc3cn(C[C@H]4CCOC4)nn3)CC2)c1 ZINC000638072310 652883751 /nfs/dbraw/zinc/88/37/51/652883751.db2.gz NBTRLUKMKSPZEG-CYBMUJFWSA-N 1 2 395.305 2.111 20 0 GEADLO CN(C(=O)c1cccc2[nH+]ccn21)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000766563592 652887367 /nfs/dbraw/zinc/88/73/67/652887367.db2.gz HCWLYFQPQQCUHY-HNNXBMFYSA-N 1 2 387.237 2.395 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)o1 ZINC000638406545 652888547 /nfs/dbraw/zinc/88/85/47/652888547.db2.gz XFYNTKZHPJJXFH-GFCCVEGCSA-N 1 2 387.255 2.303 20 0 GEADLO COc1nsc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c1Br ZINC000638584691 652895769 /nfs/dbraw/zinc/89/57/69/652895769.db2.gz MZMDPBSFCFBSHZ-LURJTMIESA-N 1 2 388.209 2.167 20 0 GEADLO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000674350865 652896481 /nfs/dbraw/zinc/89/64/81/652896481.db2.gz OYVJGKGDKYBEBD-OLZOCXBDSA-N 1 2 390.958 2.402 20 0 GEADLO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000674350865 652896483 /nfs/dbraw/zinc/89/64/83/652896483.db2.gz OYVJGKGDKYBEBD-OLZOCXBDSA-N 1 2 390.958 2.402 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000766849550 652900276 /nfs/dbraw/zinc/90/02/76/652900276.db2.gz IOXJIUIZRYRHRV-ZIAGYGMSSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000766849550 652900279 /nfs/dbraw/zinc/90/02/79/652900279.db2.gz IOXJIUIZRYRHRV-ZIAGYGMSSA-N 1 2 382.917 2.357 20 0 GEADLO CCCCc1nnc(NC(=O)CN2CCC([N@H+](C)CC(F)F)CC2)s1 ZINC000766898998 652902909 /nfs/dbraw/zinc/90/29/09/652902909.db2.gz LXBMYFQCPBAAGS-UHFFFAOYSA-N 1 2 375.489 2.481 20 0 GEADLO CCCCc1nnc(NC(=O)CN2CCC([N@@H+](C)CC(F)F)CC2)s1 ZINC000766898998 652902914 /nfs/dbraw/zinc/90/29/14/652902914.db2.gz LXBMYFQCPBAAGS-UHFFFAOYSA-N 1 2 375.489 2.481 20 0 GEADLO CO[C@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1)[C@H]1CCOC1 ZINC000638886899 652910295 /nfs/dbraw/zinc/91/02/95/652910295.db2.gz MCCHKIQIGIDUSU-GXTWGEPZSA-N 1 2 381.274 2.375 20 0 GEADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)s1 ZINC000639058705 652918246 /nfs/dbraw/zinc/91/82/46/652918246.db2.gz DYNHOMBTEAISTJ-SSDOTTSWSA-N 1 2 391.316 2.107 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H]4CC[C@@H](C3)[S@]4=O)cn2c1 ZINC000600485258 652918876 /nfs/dbraw/zinc/91/88/76/652918876.db2.gz JNZIDTCWMWOLDU-TWKFVSLJSA-N 1 2 377.535 2.388 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cn2c1 ZINC000600485259 652919021 /nfs/dbraw/zinc/91/90/21/652919021.db2.gz JNZIDTCWMWOLDU-ITNZAGEZSA-N 1 2 377.535 2.388 20 0 GEADLO COc1cc(Cl)c(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1OC ZINC000639114095 652919553 /nfs/dbraw/zinc/91/95/53/652919553.db2.gz FCWWLGCSKFBOIQ-AWEZNQCLSA-N 1 2 388.917 2.357 20 0 GEADLO COc1cc(Cl)c(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1OC ZINC000639114095 652919555 /nfs/dbraw/zinc/91/95/55/652919555.db2.gz FCWWLGCSKFBOIQ-AWEZNQCLSA-N 1 2 388.917 2.357 20 0 GEADLO C[C@H]1C[N@H+](Cc2cnn3cc(Br)cnc23)C[C@@]2(CCCOC2)O1 ZINC000639129833 652921404 /nfs/dbraw/zinc/92/14/04/652921404.db2.gz VWJJHMHEHQPFCI-BLLLJJGKSA-N 1 2 381.274 2.262 20 0 GEADLO C[C@H]1C[N@@H+](Cc2cnn3cc(Br)cnc23)C[C@@]2(CCCOC2)O1 ZINC000639129833 652921410 /nfs/dbraw/zinc/92/14/10/652921410.db2.gz VWJJHMHEHQPFCI-BLLLJJGKSA-N 1 2 381.274 2.262 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1Br ZINC000639312728 652931924 /nfs/dbraw/zinc/93/19/24/652931924.db2.gz IRBMKGVHRWZFHG-GFCCVEGCSA-N 1 2 381.242 2.328 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1Br ZINC000639312728 652931930 /nfs/dbraw/zinc/93/19/30/652931930.db2.gz IRBMKGVHRWZFHG-GFCCVEGCSA-N 1 2 381.242 2.328 20 0 GEADLO C[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@H](C)O1 ZINC000639321989 652932591 /nfs/dbraw/zinc/93/25/91/652932591.db2.gz QPLUOKVPBSUAAF-MNOVXSKESA-N 1 2 377.304 2.096 20 0 GEADLO C[C@@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@H](C)O1 ZINC000639321989 652932597 /nfs/dbraw/zinc/93/25/97/652932597.db2.gz QPLUOKVPBSUAAF-MNOVXSKESA-N 1 2 377.304 2.096 20 0 GEADLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)C2 ZINC000639340440 652933097 /nfs/dbraw/zinc/93/30/97/652933097.db2.gz NYIHXPQAVYUIDM-UHFFFAOYSA-N 1 2 382.917 2.305 20 0 GEADLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)C2 ZINC000639340440 652933102 /nfs/dbraw/zinc/93/31/02/652933102.db2.gz NYIHXPQAVYUIDM-UHFFFAOYSA-N 1 2 382.917 2.305 20 0 GEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1COc2ccc(Br)cc21 ZINC000767581499 652934788 /nfs/dbraw/zinc/93/47/88/652934788.db2.gz VTDMDYOJFYSTID-GUTXKFCHSA-N 1 2 382.254 2.332 20 0 GEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1COc2ccc(Br)cc21 ZINC000767581499 652934792 /nfs/dbraw/zinc/93/47/92/652934792.db2.gz VTDMDYOJFYSTID-GUTXKFCHSA-N 1 2 382.254 2.332 20 0 GEADLO O=c1[nH]nc(C2CC[NH+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)CC2)[nH]1 ZINC000639619653 652944332 /nfs/dbraw/zinc/94/43/32/652944332.db2.gz RJPRKXIGTFUFOD-CYBMUJFWSA-N 1 2 387.267 2.436 20 0 GEADLO Brc1cnccc1C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639771369 652953203 /nfs/dbraw/zinc/95/32/03/652953203.db2.gz VLLDMASYMQQIPA-OAHLLOKOSA-N 1 2 386.359 2.484 20 0 GEADLO Brc1cnccc1C[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639771369 652953207 /nfs/dbraw/zinc/95/32/07/652953207.db2.gz VLLDMASYMQQIPA-OAHLLOKOSA-N 1 2 386.359 2.484 20 0 GEADLO CS(=O)(=O)CC1(C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000639772277 652953281 /nfs/dbraw/zinc/95/32/81/652953281.db2.gz JCFLGQXCAOYNIL-CYBMUJFWSA-N 1 2 389.315 2.122 20 0 GEADLO CS(=O)(=O)CC1(C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000639772277 652953289 /nfs/dbraw/zinc/95/32/89/652953289.db2.gz JCFLGQXCAOYNIL-CYBMUJFWSA-N 1 2 389.315 2.122 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000676191629 652956388 /nfs/dbraw/zinc/95/63/88/652956388.db2.gz VNFVMUBXTCUDCW-UHFFFAOYSA-N 1 2 381.885 2.392 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639821115 652957553 /nfs/dbraw/zinc/95/75/53/652957553.db2.gz JYBKTIAQFFVCFL-LLVKDONJSA-N 1 2 394.273 2.541 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639821115 652957557 /nfs/dbraw/zinc/95/75/57/652957557.db2.gz JYBKTIAQFFVCFL-LLVKDONJSA-N 1 2 394.273 2.541 20 0 GEADLO COCCOc1ccc(Br)cc1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000639932612 653089470 /nfs/dbraw/zinc/08/94/70/653089470.db2.gz YWFCHAZRECDDFH-GFCCVEGCSA-N 1 2 395.257 2.417 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCc2sc(Br)cc2C1 ZINC000676420152 653094912 /nfs/dbraw/zinc/09/49/12/653094912.db2.gz AEUCVSPGLWTJNH-LLVKDONJSA-N 1 2 388.331 2.299 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCc2sc(Br)cc2C1 ZINC000676420152 653094914 /nfs/dbraw/zinc/09/49/14/653094914.db2.gz AEUCVSPGLWTJNH-LLVKDONJSA-N 1 2 388.331 2.299 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1 ZINC000640297550 653111285 /nfs/dbraw/zinc/11/12/85/653111285.db2.gz YQIIEZKZWSDJIH-SECBINFHSA-N 1 2 376.770 2.854 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000805475602 653118637 /nfs/dbraw/zinc/11/86/37/653118637.db2.gz VIZOVOBDBRBVHZ-IUODEOHRSA-N 1 2 399.285 2.348 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000805475602 653118638 /nfs/dbraw/zinc/11/86/38/653118638.db2.gz VIZOVOBDBRBVHZ-IUODEOHRSA-N 1 2 399.285 2.348 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000805476061 653118985 /nfs/dbraw/zinc/11/89/85/653118985.db2.gz HSFYLQLLXIMVTL-RISCZKNCSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000805476061 653118992 /nfs/dbraw/zinc/11/89/92/653118992.db2.gz HSFYLQLLXIMVTL-RISCZKNCSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)C1 ZINC000805479166 653119257 /nfs/dbraw/zinc/11/92/57/653119257.db2.gz LHECKFGGCLCLCH-KBPBESRZSA-N 1 2 376.236 2.471 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)C1 ZINC000805479166 653119262 /nfs/dbraw/zinc/11/92/62/653119262.db2.gz LHECKFGGCLCLCH-KBPBESRZSA-N 1 2 376.236 2.471 20 0 GEADLO Cc1ccc(SCCNC(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000772050122 653138115 /nfs/dbraw/zinc/13/81/15/653138115.db2.gz UUFFZCBXTBDXSW-OAHLLOKOSA-N 1 2 382.551 2.184 20 0 GEADLO Cc1ccc(SCCNC(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000772050122 653138121 /nfs/dbraw/zinc/13/81/21/653138121.db2.gz UUFFZCBXTBDXSW-OAHLLOKOSA-N 1 2 382.551 2.184 20 0 GEADLO Cc1c(Br)cc(C(=O)OCc2cc[nH+]c(N(C)C)c2)c(=O)n1C ZINC000768936840 653139446 /nfs/dbraw/zinc/13/94/46/653139446.db2.gz XIMJNSMIGVZACO-UHFFFAOYSA-N 1 2 380.242 2.274 20 0 GEADLO COc1ccc(Cn2cc(Cn3cc[nH+]c3)nn2)c(Br)c1OC ZINC000640990032 653149778 /nfs/dbraw/zinc/14/97/78/653149778.db2.gz TXZCSGMVMZMVLF-UHFFFAOYSA-N 1 2 378.230 2.351 20 0 GEADLO CCOC(=O)C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C(F)(F)F ZINC000602180231 653155071 /nfs/dbraw/zinc/15/50/71/653155071.db2.gz RITMZXYZMZDVGC-DTWKUNHWSA-N 1 2 375.269 2.377 20 0 GEADLO CCOC(=O)C[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C(F)(F)F ZINC000602180233 653155415 /nfs/dbraw/zinc/15/54/15/653155415.db2.gz RITMZXYZMZDVGC-RKDXNWHRSA-N 1 2 375.269 2.377 20 0 GEADLO CCCCn1nc(C)c(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1Cl ZINC000772602137 653155521 /nfs/dbraw/zinc/15/55/21/653155521.db2.gz WDJZVTFLSDRWHR-CQSZACIVSA-N 1 2 376.954 2.406 20 0 GEADLO CCCCn1nc(C)c(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1Cl ZINC000772602137 653155523 /nfs/dbraw/zinc/15/55/23/653155523.db2.gz WDJZVTFLSDRWHR-CQSZACIVSA-N 1 2 376.954 2.406 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000769482095 653159311 /nfs/dbraw/zinc/15/93/11/653159311.db2.gz YUOCCGYMNMASOC-VWLOTQADSA-N 1 2 380.945 2.330 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000769481793 653159391 /nfs/dbraw/zinc/15/93/91/653159391.db2.gz VTKSIZMDFXYLQP-HSZRJFAPSA-N 1 2 399.354 2.221 20 0 GEADLO OC[C@H]1CCC[N@@H+]1Cc1cn(Cc2nc3ccc(Br)cc3o2)nn1 ZINC000641129788 653160238 /nfs/dbraw/zinc/16/02/38/653160238.db2.gz FUHYMEYDEJZMPW-CYBMUJFWSA-N 1 2 392.257 2.187 20 0 GEADLO OC[C@H]1CCC[N@H+]1Cc1cn(Cc2nc3ccc(Br)cc3o2)nn1 ZINC000641129788 653160248 /nfs/dbraw/zinc/16/02/48/653160248.db2.gz FUHYMEYDEJZMPW-CYBMUJFWSA-N 1 2 392.257 2.187 20 0 GEADLO OC[C@H]1CCC[N@@H+]1Cc1cn(Cc2nc3cc(Br)ccc3o2)nn1 ZINC000641130496 653160468 /nfs/dbraw/zinc/16/04/68/653160468.db2.gz NTDFVPGHALTVOM-CYBMUJFWSA-N 1 2 392.257 2.187 20 0 GEADLO OC[C@H]1CCC[N@H+]1Cc1cn(Cc2nc3cc(Br)ccc3o2)nn1 ZINC000641130496 653160471 /nfs/dbraw/zinc/16/04/71/653160471.db2.gz NTDFVPGHALTVOM-CYBMUJFWSA-N 1 2 392.257 2.187 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn(Cc3cc(Cl)cc(Cl)c3F)nn2)C1 ZINC000641173699 653165756 /nfs/dbraw/zinc/16/57/56/653165756.db2.gz IKQVSUXCQNDRBD-NSHDSACASA-N 1 2 393.271 2.049 20 0 GEADLO COC1CC[NH+](Cc2cn([C@H](C)c3ncc(Br)cn3)nn2)CC1 ZINC000641177977 653166785 /nfs/dbraw/zinc/16/67/85/653166785.db2.gz SFSREQYEFGJQIM-LLVKDONJSA-N 1 2 381.278 2.051 20 0 GEADLO COc1cc(CS(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)sn1 ZINC000641253584 653172305 /nfs/dbraw/zinc/17/23/05/653172305.db2.gz BQIKBHMDHRTFKR-AWEZNQCLSA-N 1 2 385.511 2.391 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)c2nccn3c(Br)cnc23)c1C ZINC000769739066 653174006 /nfs/dbraw/zinc/17/40/06/653174006.db2.gz YUOJVXHOUYUROE-UHFFFAOYSA-N 1 2 390.241 2.442 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCc1ccc(COCC(F)(F)F)cc1 ZINC000641263910 653175176 /nfs/dbraw/zinc/17/51/76/653175176.db2.gz DYSBMVZHSIDXTQ-UHFFFAOYSA-N 1 2 377.388 2.082 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)C[C@@H](C)O1 ZINC000641294145 653180566 /nfs/dbraw/zinc/18/05/66/653180566.db2.gz GURUBDNNCVINST-APIJFGDWSA-N 1 2 380.501 2.181 20 0 GEADLO COCCN(Cc1ccc(F)cc1Cl)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641321836 653186303 /nfs/dbraw/zinc/18/63/03/653186303.db2.gz OAZBBKPMZYRGKV-UHFFFAOYSA-N 1 2 375.853 2.154 20 0 GEADLO COCCCOCC[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000773271242 653190526 /nfs/dbraw/zinc/19/05/26/653190526.db2.gz MKJBUJFSIJOOFK-MRXNPFEDSA-N 1 2 389.905 2.111 20 0 GEADLO COCCCOCC[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000773271242 653190537 /nfs/dbraw/zinc/19/05/37/653190537.db2.gz MKJBUJFSIJOOFK-MRXNPFEDSA-N 1 2 389.905 2.111 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)[C@@H]1C ZINC000773323950 653193338 /nfs/dbraw/zinc/19/33/38/653193338.db2.gz DKHFDGSKBSYNHV-RKDXNWHRSA-N 1 2 387.205 2.337 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)[C@@H]1C ZINC000773323950 653193342 /nfs/dbraw/zinc/19/33/42/653193342.db2.gz DKHFDGSKBSYNHV-RKDXNWHRSA-N 1 2 387.205 2.337 20 0 GEADLO COC(=O)c1[nH]c(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1C ZINC000602653005 653198371 /nfs/dbraw/zinc/19/83/71/653198371.db2.gz YHEQZYNQMNWROS-CQSZACIVSA-N 1 2 380.242 2.188 20 0 GEADLO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2c(Br)cnn2C)C1 ZINC000602734845 653203331 /nfs/dbraw/zinc/20/33/31/653203331.db2.gz KICYGIKIPMHMSD-INIZCTEOSA-N 1 2 388.306 2.363 20 0 GEADLO COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+](Cc2c(Br)cnn2C)C1 ZINC000602734845 653203336 /nfs/dbraw/zinc/20/33/36/653203336.db2.gz KICYGIKIPMHMSD-INIZCTEOSA-N 1 2 388.306 2.363 20 0 GEADLO Cc1nc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)sc1C ZINC000773511983 653203283 /nfs/dbraw/zinc/20/32/83/653203283.db2.gz OBEUJGHQDIJNMG-UHFFFAOYSA-N 1 2 379.507 2.323 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCc2c(F)ccc(Br)c2C1 ZINC000641513133 653216083 /nfs/dbraw/zinc/21/60/83/653216083.db2.gz UNZIXBDWGMGIBP-UHFFFAOYSA-N 1 2 388.262 2.173 20 0 GEADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000682514549 653216773 /nfs/dbraw/zinc/21/67/73/653216773.db2.gz FNLIYIBDDZGMHE-BXUZGUMPSA-N 1 2 379.869 2.086 20 0 GEADLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000682514550 653216800 /nfs/dbraw/zinc/21/68/00/653216800.db2.gz FNLIYIBDDZGMHE-FZMZJTMJSA-N 1 2 379.869 2.086 20 0 GEADLO Cc1cncc(C[NH+]2CCN(c3ncc(I)cn3)CC2)c1 ZINC000602958044 653217970 /nfs/dbraw/zinc/21/79/70/653217970.db2.gz XLMBXHAVLRGPTR-UHFFFAOYSA-N 1 2 395.248 2.107 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000770723302 653222446 /nfs/dbraw/zinc/22/24/46/653222446.db2.gz NPHXEQXDZIQGTC-VHSXEESVSA-N 1 2 395.294 2.310 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000770723302 653222454 /nfs/dbraw/zinc/22/24/54/653222454.db2.gz NPHXEQXDZIQGTC-VHSXEESVSA-N 1 2 395.294 2.310 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000682729998 653222713 /nfs/dbraw/zinc/22/27/13/653222713.db2.gz ZYIVIMUKAYIKQF-NEPJUHHUSA-N 1 2 397.299 2.352 20 0 GEADLO Cc1c(Br)cc(C(=O)OCc2cccc3[nH+]ccn32)c(=O)n1C ZINC000774141970 653226417 /nfs/dbraw/zinc/22/64/17/653226417.db2.gz FMWOJXMSYWTDMB-UHFFFAOYSA-N 1 2 376.210 2.461 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000774307355 653233760 /nfs/dbraw/zinc/23/37/60/653233760.db2.gz IGFSPSMGSHRDEK-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000774307355 653233761 /nfs/dbraw/zinc/23/37/61/653233761.db2.gz IGFSPSMGSHRDEK-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1nc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000683653860 653236453 /nfs/dbraw/zinc/23/64/53/653236453.db2.gz SMPABHRFPTXIKM-LBPRGKRZSA-N 1 2 392.257 2.151 20 0 GEADLO CS(=O)(=O)N1CCN(c2ccc(NCc3sccc3Cl)c[nH+]2)CC1 ZINC000683750379 653240126 /nfs/dbraw/zinc/24/01/26/653240126.db2.gz KONXTWKLZRITQK-UHFFFAOYSA-N 1 2 386.930 2.490 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809538580 653280268 /nfs/dbraw/zinc/28/02/68/653280268.db2.gz HBOFFPZDCSFGMO-LLVKDONJSA-N 1 2 391.324 2.402 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809538580 653280274 /nfs/dbraw/zinc/28/02/74/653280274.db2.gz HBOFFPZDCSFGMO-LLVKDONJSA-N 1 2 391.324 2.402 20 0 GEADLO O=C(CCCn1cc[nH+]c1)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000684948398 653291578 /nfs/dbraw/zinc/29/15/78/653291578.db2.gz GBTJOKNSUPOUHU-UHFFFAOYSA-N 1 2 394.273 2.296 20 0 GEADLO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000711663948 653323217 /nfs/dbraw/zinc/32/32/17/653323217.db2.gz BSBWDXCMPFKERX-HQJQHLMTSA-N 1 2 398.120 2.129 20 0 GEADLO CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC(F)(F)c1ccc(Br)cc1 ZINC000857252166 653303954 /nfs/dbraw/zinc/30/39/54/653303954.db2.gz BOBOPBBTIDHPTM-QWHCGFSZSA-N 1 2 377.229 2.424 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@H+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000685603380 653307799 /nfs/dbraw/zinc/30/77/99/653307799.db2.gz DXGVDGQFETWNLS-UHFFFAOYSA-N 1 2 396.340 2.186 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000685603380 653307807 /nfs/dbraw/zinc/30/78/07/653307807.db2.gz DXGVDGQFETWNLS-UHFFFAOYSA-N 1 2 396.340 2.186 20 0 GEADLO Cn1nncc1NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000809907085 653313042 /nfs/dbraw/zinc/31/30/42/653313042.db2.gz YJEIFZPVCDZNET-UHFFFAOYSA-N 1 2 394.233 2.101 20 0 GEADLO Cn1nnc(Br)c1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000810008519 653317655 /nfs/dbraw/zinc/31/76/55/653317655.db2.gz JHATUWQDVSNXEH-UHFFFAOYSA-N 1 2 385.291 2.272 20 0 GEADLO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Br)nnn1C ZINC000716171172 653326288 /nfs/dbraw/zinc/32/62/88/653326288.db2.gz BSXCBNNEOLMXBW-JSGCOSHPSA-N 1 2 392.301 2.218 20 0 GEADLO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Br)nnn1C ZINC000716171172 653326297 /nfs/dbraw/zinc/32/62/97/653326297.db2.gz BSXCBNNEOLMXBW-JSGCOSHPSA-N 1 2 392.301 2.218 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000874708997 653333548 /nfs/dbraw/zinc/33/35/48/653333548.db2.gz VECKFGMZWMZPED-HNNXBMFYSA-N 1 2 382.302 2.103 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000874708997 653333552 /nfs/dbraw/zinc/33/35/52/653333552.db2.gz VECKFGMZWMZPED-HNNXBMFYSA-N 1 2 382.302 2.103 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000874708998 653333798 /nfs/dbraw/zinc/33/37/98/653333798.db2.gz VECKFGMZWMZPED-OAHLLOKOSA-N 1 2 382.302 2.103 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000874708998 653333799 /nfs/dbraw/zinc/33/37/99/653333799.db2.gz VECKFGMZWMZPED-OAHLLOKOSA-N 1 2 382.302 2.103 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000874711281 653334068 /nfs/dbraw/zinc/33/40/68/653334068.db2.gz ONWCRKBKAQXUGC-ZDUSSCGKSA-N 1 2 396.285 2.360 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000874711281 653334074 /nfs/dbraw/zinc/33/40/74/653334074.db2.gz ONWCRKBKAQXUGC-ZDUSSCGKSA-N 1 2 396.285 2.360 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1c(F)ccc(Br)c1OC ZINC000874712223 653334195 /nfs/dbraw/zinc/33/41/95/653334195.db2.gz WPOYSXHPZJLTMV-LLVKDONJSA-N 1 2 389.265 2.437 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1c(F)ccc(Br)c1OC ZINC000874712223 653334202 /nfs/dbraw/zinc/33/42/02/653334202.db2.gz WPOYSXHPZJLTMV-LLVKDONJSA-N 1 2 389.265 2.437 20 0 GEADLO O=C(c1cc[nH]c(=O)c1Br)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874891773 653341345 /nfs/dbraw/zinc/34/13/45/653341345.db2.gz UJSFXVQLFZMWBF-ZDUSSCGKSA-N 1 2 380.217 2.476 20 0 GEADLO O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCc2nccc(Br)c2C1 ZINC000857965101 653344395 /nfs/dbraw/zinc/34/43/95/653344395.db2.gz DYXYGPGQSREMPV-QGZVFWFLSA-N 1 2 394.313 2.372 20 0 GEADLO O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCc2nccc(Br)c2C1 ZINC000857965101 653344400 /nfs/dbraw/zinc/34/44/00/653344400.db2.gz DYXYGPGQSREMPV-QGZVFWFLSA-N 1 2 394.313 2.372 20 0 GEADLO Cc1c(C(=O)N[C@H]2CCn3c[nH+]cc32)nnn1-c1cccc(Br)c1 ZINC000857984631 653346218 /nfs/dbraw/zinc/34/62/18/653346218.db2.gz CLJFKJYWHJTMSB-ZDUSSCGKSA-N 1 2 387.241 2.410 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000857989462 653346823 /nfs/dbraw/zinc/34/68/23/653346823.db2.gz NRYCGMNJOQHXRW-RISCZKNCSA-N 1 2 389.253 2.260 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CCO1 ZINC000875193771 653357161 /nfs/dbraw/zinc/35/71/61/653357161.db2.gz FSDXUSOUOHNRTA-IAOMBJDPSA-N 1 2 394.313 2.107 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CCO1 ZINC000875193771 653357168 /nfs/dbraw/zinc/35/71/68/653357168.db2.gz FSDXUSOUOHNRTA-IAOMBJDPSA-N 1 2 394.313 2.107 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CCO1 ZINC000875196048 653357622 /nfs/dbraw/zinc/35/76/22/653357622.db2.gz WFNCSBUYLVTENZ-QQDQCYIDSA-N 1 2 394.313 2.107 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CCO1 ZINC000875196048 653357625 /nfs/dbraw/zinc/35/76/25/653357625.db2.gz WFNCSBUYLVTENZ-QQDQCYIDSA-N 1 2 394.313 2.107 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)NC[C@@H]1CSCCS1 ZINC000875362185 653365493 /nfs/dbraw/zinc/36/54/93/653365493.db2.gz HLAMPQQPCQFGPV-CQSZACIVSA-N 1 2 384.596 2.283 20 0 GEADLO Cc1cc(Br)nc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000836769964 653376769 /nfs/dbraw/zinc/37/67/69/653376769.db2.gz SUMGJXIXTLPFGT-OLZOCXBDSA-N 1 2 383.290 2.479 20 0 GEADLO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Br)nc1F ZINC000858973015 653389536 /nfs/dbraw/zinc/38/95/36/653389536.db2.gz VIQVJIKTRCHHIX-SNVBAGLBSA-N 1 2 380.283 2.136 20 0 GEADLO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Br)nc1F ZINC000858973015 653389543 /nfs/dbraw/zinc/38/95/43/653389543.db2.gz VIQVJIKTRCHHIX-SNVBAGLBSA-N 1 2 380.283 2.136 20 0 GEADLO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)C(=O)C(C)(C)C)CC1 ZINC000837014917 653395940 /nfs/dbraw/zinc/39/59/40/653395940.db2.gz VUAMLIXDFYNOJP-UHFFFAOYSA-N 1 2 383.290 2.150 20 0 GEADLO O=C(C[NH+]1CCN(c2ccc3ccc(Br)cc3n2)CC1)NC1CC1 ZINC000811712714 653402799 /nfs/dbraw/zinc/40/27/99/653402799.db2.gz FLPJYTUPOPXOCD-UHFFFAOYSA-N 1 2 389.297 2.398 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(Br)nc2F)C[C@@H]1C ZINC000859088928 653403711 /nfs/dbraw/zinc/40/37/11/653403711.db2.gz YVYSXJNQKSZHNH-VHSXEESVSA-N 1 2 380.283 2.086 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(Br)nc2F)C[C@@H]1C ZINC000859088928 653403715 /nfs/dbraw/zinc/40/37/15/653403715.db2.gz YVYSXJNQKSZHNH-VHSXEESVSA-N 1 2 380.283 2.086 20 0 GEADLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2c(Cl)ccnc2Cl)C[C@H](C)O1 ZINC000777963120 653414831 /nfs/dbraw/zinc/41/48/31/653414831.db2.gz HDDLESASBFZPIF-QWRGUYRKSA-N 1 2 382.313 2.166 20 0 GEADLO C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)c1nnnn1C1CC1 ZINC000859276932 653431906 /nfs/dbraw/zinc/43/19/06/653431906.db2.gz NEOJMVMRBYCCSA-XPTSAGLGSA-N 1 2 391.273 2.375 20 0 GEADLO Cn1ncc2cc(C[N@H+](C)CC(=O)Nc3ccc(Br)cn3)cnc21 ZINC000876683279 653442414 /nfs/dbraw/zinc/44/24/14/653442414.db2.gz UNRCBNDDBCBKEB-UHFFFAOYSA-N 1 2 389.257 2.196 20 0 GEADLO Cn1ncc2cc(C[N@@H+](C)CC(=O)Nc3ccc(Br)cn3)cnc21 ZINC000876683279 653442420 /nfs/dbraw/zinc/44/24/20/653442420.db2.gz UNRCBNDDBCBKEB-UHFFFAOYSA-N 1 2 389.257 2.196 20 0 GEADLO CC[C@@H]([NH2+]Cc1nc(Cl)ccc1Br)C(=O)N1CCOCC1 ZINC000877076823 653464829 /nfs/dbraw/zinc/46/48/29/653464829.db2.gz ROKSQCKLPUCSHT-LLVKDONJSA-N 1 2 376.682 2.225 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000779563054 653483917 /nfs/dbraw/zinc/48/39/17/653483917.db2.gz MHXKHNDUYHJQNL-KKUMJFAQSA-N 1 2 392.253 2.107 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)cc1Cl ZINC000779560989 653493169 /nfs/dbraw/zinc/49/31/69/653493169.db2.gz FGIIUAZHDLHHEG-LBPRGKRZSA-N 1 2 386.633 2.271 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C)c(Br)cc1C ZINC000779564817 653501013 /nfs/dbraw/zinc/50/10/13/653501013.db2.gz CGJHBMJDGKHSEG-CQSZACIVSA-N 1 2 380.242 2.234 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1Br ZINC000877466962 653520678 /nfs/dbraw/zinc/52/06/78/653520678.db2.gz UOHQLWQKWCXUCY-ZOWXZIJZSA-N 1 2 381.270 2.322 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1Br ZINC000877466962 653520791 /nfs/dbraw/zinc/52/07/91/653520791.db2.gz UOHQLWQKWCXUCY-ZOWXZIJZSA-N 1 2 381.270 2.322 20 0 GEADLO C[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C[C@H](O)c1ccccc1Br ZINC000877577276 653612910 /nfs/dbraw/zinc/61/29/10/653612910.db2.gz VBVCHNYFZJWKGX-YOEHRIQHSA-N 1 2 395.301 2.385 20 0 GEADLO C[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C[C@H](O)c1ccccc1Br ZINC000877577276 653612914 /nfs/dbraw/zinc/61/29/14/653612914.db2.gz VBVCHNYFZJWKGX-YOEHRIQHSA-N 1 2 395.301 2.385 20 0 GEADLO O=C(COC(=O)c1cncc(Cl)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000838245823 653614732 /nfs/dbraw/zinc/61/47/32/653614732.db2.gz NLGMQNOYFPAPTC-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000877662880 653615980 /nfs/dbraw/zinc/61/59/80/653615980.db2.gz ZRVGYHUGTUUJBD-LLVKDONJSA-N 1 2 384.395 2.486 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000877662880 653615982 /nfs/dbraw/zinc/61/59/82/653615982.db2.gz ZRVGYHUGTUUJBD-LLVKDONJSA-N 1 2 384.395 2.486 20 0 GEADLO CONC(=O)C1CC[NH+](Cc2ccc(I)s2)CC1 ZINC000877785921 653619918 /nfs/dbraw/zinc/61/99/18/653619918.db2.gz MLENNFSXGNWRHZ-UHFFFAOYSA-N 1 2 380.251 2.242 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCN([S@](C)(=N)=O)CC3)c[nH+]c12 ZINC000877791404 653620668 /nfs/dbraw/zinc/62/06/68/653620668.db2.gz DIVUKSNLMQAJNC-QFIPXVFZSA-N 1 2 386.319 2.114 20 0 GEADLO C[C@@H](NC(=O)c1cn(C(C)(C)C)nc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000780479671 653626484 /nfs/dbraw/zinc/62/64/84/653626484.db2.gz KRTDFESOJDVQGM-NEPJUHHUSA-N 1 2 387.322 2.240 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878054645 653627247 /nfs/dbraw/zinc/62/72/47/653627247.db2.gz HXKLJVJNMWFVEK-AWEZNQCLSA-N 1 2 398.301 2.443 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878054645 653627249 /nfs/dbraw/zinc/62/72/49/653627249.db2.gz HXKLJVJNMWFVEK-AWEZNQCLSA-N 1 2 398.301 2.443 20 0 GEADLO CC(C)n1ncc(C(=O)NCCNc2cccc[nH+]2)c1I ZINC000878081506 653628006 /nfs/dbraw/zinc/62/80/06/653628006.db2.gz MXIDYPMTZQKVSF-UHFFFAOYSA-N 1 2 399.236 2.306 20 0 GEADLO C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)N=S(C)(C)=O ZINC000878242021 653632548 /nfs/dbraw/zinc/63/25/48/653632548.db2.gz DUABKFJZKTVDIV-CXAGYDPISA-N 1 2 375.535 2.304 20 0 GEADLO CC(C)[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000814618001 653637470 /nfs/dbraw/zinc/63/74/70/653637470.db2.gz MZTJFIZUAMWGKI-CQSZACIVSA-N 1 2 380.432 2.029 20 0 GEADLO CCn1ncc(C[NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)n1 ZINC000839012715 653639501 /nfs/dbraw/zinc/63/95/01/653639501.db2.gz GWBVYKGXJHBEBN-OAHLLOKOSA-N 1 2 378.274 2.264 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878600645 653642150 /nfs/dbraw/zinc/64/21/50/653642150.db2.gz GXNNEXXPLSFQQT-SWLSCSKDSA-N 1 2 381.325 2.383 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878600645 653642152 /nfs/dbraw/zinc/64/21/52/653642152.db2.gz GXNNEXXPLSFQQT-SWLSCSKDSA-N 1 2 381.325 2.383 20 0 GEADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878622967 653642853 /nfs/dbraw/zinc/64/28/53/653642853.db2.gz COBPHQPIQPKPOV-GARJFASQSA-N 1 2 390.278 2.458 20 0 GEADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878622967 653642856 /nfs/dbraw/zinc/64/28/56/653642856.db2.gz COBPHQPIQPKPOV-GARJFASQSA-N 1 2 390.278 2.458 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2ncccc2Br)C1)C1CC1 ZINC000878621136 653642959 /nfs/dbraw/zinc/64/29/59/653642959.db2.gz FUNAPJZPDMCGAP-LBPRGKRZSA-N 1 2 388.331 2.138 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ncccc2Br)C1)C1CC1 ZINC000878621136 653642962 /nfs/dbraw/zinc/64/29/62/653642962.db2.gz FUNAPJZPDMCGAP-LBPRGKRZSA-N 1 2 388.331 2.138 20 0 GEADLO COCC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000861031911 653643990 /nfs/dbraw/zinc/64/39/90/653643990.db2.gz BZXNJTPODJMXBB-ZDUSSCGKSA-N 1 2 375.874 2.011 20 0 GEADLO COCC[N@H+]1CCC[C@H]1COC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000861031911 653643993 /nfs/dbraw/zinc/64/39/93/653643993.db2.gz BZXNJTPODJMXBB-ZDUSSCGKSA-N 1 2 375.874 2.011 20 0 GEADLO CSc1nsc(NC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)n1 ZINC000878894087 653651321 /nfs/dbraw/zinc/65/13/21/653651321.db2.gz SRQLRVNZLFNUPI-UHFFFAOYSA-N 1 2 387.531 2.188 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCCCn2cc[nH+]c2)s1 ZINC000782306319 653658900 /nfs/dbraw/zinc/65/89/00/653658900.db2.gz QLMBSKDUKQHKMS-AWEZNQCLSA-N 1 2 383.495 2.040 20 0 GEADLO C[N@H+](C[C@@H](O)c1cccc(Br)c1)CC1(CS(C)(=O)=O)CC1 ZINC000839642239 653659369 /nfs/dbraw/zinc/65/93/69/653659369.db2.gz PZXNIJLENIGHMI-CQSZACIVSA-N 1 2 376.316 2.239 20 0 GEADLO C[N@@H+](C[C@@H](O)c1cccc(Br)c1)CC1(CS(C)(=O)=O)CC1 ZINC000839642239 653659370 /nfs/dbraw/zinc/65/93/70/653659370.db2.gz PZXNIJLENIGHMI-CQSZACIVSA-N 1 2 376.316 2.239 20 0 GEADLO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1csnn1 ZINC000839663377 653659603 /nfs/dbraw/zinc/65/96/03/653659603.db2.gz QOMGHWYHSXGDDF-SECBINFHSA-N 1 2 379.511 2.257 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000839826248 653666118 /nfs/dbraw/zinc/66/61/18/653666118.db2.gz SGXZRRDXGZFSER-XJKSGUPXSA-N 1 2 378.270 2.400 20 0 GEADLO CCOC(=O)c1nn(CN2CC[NH+](Cc3ccncc3)CC2)c(=S)s1 ZINC000782807401 653670353 /nfs/dbraw/zinc/67/03/53/653670353.db2.gz QIHDZJHVTJUBPM-UHFFFAOYSA-N 1 2 379.511 2.021 20 0 GEADLO O=C1c2ncccc2CN1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000839992984 653671332 /nfs/dbraw/zinc/67/13/32/653671332.db2.gz MUWKNKHXMAYDGP-UHFFFAOYSA-N 1 2 376.258 2.291 20 0 GEADLO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000840021695 653671661 /nfs/dbraw/zinc/67/16/61/653671661.db2.gz CNNKYIBBFOXGFY-PMPSAXMXSA-N 1 2 392.297 2.075 20 0 GEADLO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000840021695 653671663 /nfs/dbraw/zinc/67/16/63/653671663.db2.gz CNNKYIBBFOXGFY-PMPSAXMXSA-N 1 2 392.297 2.075 20 0 GEADLO O[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C[C@@H]1O ZINC000879609380 653674067 /nfs/dbraw/zinc/67/40/67/653674067.db2.gz SRXMUZSZFZGQSM-MNOVXSKESA-N 1 2 384.192 2.318 20 0 GEADLO O[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C[C@@H]1O ZINC000879609380 653674074 /nfs/dbraw/zinc/67/40/74/653674074.db2.gz SRXMUZSZFZGQSM-MNOVXSKESA-N 1 2 384.192 2.318 20 0 GEADLO Cn1nnc(Br)c1COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000816142862 653675593 /nfs/dbraw/zinc/67/55/93/653675593.db2.gz LUNGLYDAOFZZEL-UHFFFAOYSA-N 1 2 390.241 2.108 20 0 GEADLO CC(C)(C)Nc1nc(N2C[C@@H]3C[C@H]2CS3)nc(N2C[C@@H]3C[C@H]2CS3)[nH+]1 ZINC000840352269 653683537 /nfs/dbraw/zinc/68/35/37/653683537.db2.gz XBGBXAZHUVJKBA-CYDGBPFRSA-N 1 2 378.571 2.470 20 0 GEADLO CC(C)(C)Nc1nc(N2C[C@@H]3C[C@H]2CS3)[nH+]c(N2C[C@@H]3C[C@H]2CS3)n1 ZINC000840352269 653683540 /nfs/dbraw/zinc/68/35/40/653683540.db2.gz XBGBXAZHUVJKBA-CYDGBPFRSA-N 1 2 378.571 2.470 20 0 GEADLO Cn1nc(Br)cc1CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000784284527 653691314 /nfs/dbraw/zinc/69/13/14/653691314.db2.gz QVZDBACUTXOVAI-UHFFFAOYSA-N 1 2 380.290 2.398 20 0 GEADLO Cc1cc(NCCNC(=O)CSc2n[nH]c(=S)s2)nc(C(C)C)[nH+]1 ZINC000862859847 653696971 /nfs/dbraw/zinc/69/69/71/653696971.db2.gz NRYRJVZFWJIVIE-UHFFFAOYSA-N 1 2 384.556 2.369 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)COc1ccc(Br)cc1F ZINC000784905133 653701044 /nfs/dbraw/zinc/70/10/44/653701044.db2.gz BIOBGIVLXWUNIA-LLVKDONJSA-N 1 2 376.222 2.231 20 0 GEADLO CC[C@H](Sc1nc(CC(=O)NCc2c[nH+]c(C)cc2C)cs1)C(N)=O ZINC000880241297 653701700 /nfs/dbraw/zinc/70/17/00/653701700.db2.gz VINYOKSJWPWOOT-AWEZNQCLSA-N 1 2 378.523 2.370 20 0 GEADLO CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)Nc3ccccc3Br)C[C@@H]2C1 ZINC000880308963 653703197 /nfs/dbraw/zinc/70/31/97/653703197.db2.gz QBSZUQQZPVHDTO-BNOWGMLFSA-N 1 2 380.286 2.186 20 0 GEADLO CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)Nc3ccccc3Br)C[C@@H]2C1 ZINC000880308963 653703200 /nfs/dbraw/zinc/70/32/00/653703200.db2.gz QBSZUQQZPVHDTO-BNOWGMLFSA-N 1 2 380.286 2.186 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(C)c1Cl ZINC000840950169 653703167 /nfs/dbraw/zinc/70/31/67/653703167.db2.gz FOTIOCXFSCNOCS-SECBINFHSA-N 1 2 391.902 2.308 20 0 GEADLO CC[C@@H](Sc1nc(CC(=O)NCc2cc(C)[nH+]c(C)c2)cs1)C(N)=O ZINC000880322087 653703547 /nfs/dbraw/zinc/70/35/47/653703547.db2.gz CXQKPWUQKADSOU-CQSZACIVSA-N 1 2 378.523 2.370 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)C1CC1 ZINC000840965154 653704210 /nfs/dbraw/zinc/70/42/10/653704210.db2.gz BONLFGYULOVICS-UHFFFAOYSA-N 1 2 375.281 2.241 20 0 GEADLO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cn1nc2cnccn2c1=O ZINC000863323611 653706541 /nfs/dbraw/zinc/70/65/41/653706541.db2.gz QDXYPTFSQPHTBI-JSGCOSHPSA-N 1 2 388.269 2.489 20 0 GEADLO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cn1nc2cnccn2c1=O ZINC000863323611 653706544 /nfs/dbraw/zinc/70/65/44/653706544.db2.gz QDXYPTFSQPHTBI-JSGCOSHPSA-N 1 2 388.269 2.489 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880532744 653707650 /nfs/dbraw/zinc/70/76/50/653707650.db2.gz CWNRCXSVYCBFHH-SUMWQHHRSA-N 1 2 394.313 2.008 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880532744 653707651 /nfs/dbraw/zinc/70/76/51/653707651.db2.gz CWNRCXSVYCBFHH-SUMWQHHRSA-N 1 2 394.313 2.008 20 0 GEADLO COC(=O)c1cn(C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)nn1 ZINC000817362272 653708743 /nfs/dbraw/zinc/70/87/43/653708743.db2.gz OFETXCGFSOEXGG-ZDUSSCGKSA-N 1 2 379.258 2.492 20 0 GEADLO COC(=O)c1cn(C[N@H+]2CCC[C@H]2Cc2ccccc2Br)nn1 ZINC000817362272 653708747 /nfs/dbraw/zinc/70/87/47/653708747.db2.gz OFETXCGFSOEXGG-ZDUSSCGKSA-N 1 2 379.258 2.492 20 0 GEADLO CNC(=O)[C@H]1CC[N@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C1 ZINC000817370421 653709254 /nfs/dbraw/zinc/70/92/54/653709254.db2.gz KOVXHMMEWCWCGL-LBPRGKRZSA-N 1 2 381.249 2.477 20 0 GEADLO CNC(=O)[C@H]1CC[N@@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C1 ZINC000817370421 653709255 /nfs/dbraw/zinc/70/92/55/653709255.db2.gz KOVXHMMEWCWCGL-LBPRGKRZSA-N 1 2 381.249 2.477 20 0 GEADLO Cn1ncc(Br)c1C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000785488067 653710161 /nfs/dbraw/zinc/71/01/61/653710161.db2.gz WQWDSUQVDCKOMD-LBPRGKRZSA-N 1 2 385.212 2.356 20 0 GEADLO COc1cccc(C[C@H]([NH3+])c2nc(-c3ccc(S(C)(=O)=O)s3)no2)c1 ZINC000863678461 653718498 /nfs/dbraw/zinc/71/84/98/653718498.db2.gz VRDICMDYCDEGGF-LBPRGKRZSA-N 1 2 379.463 2.453 20 0 GEADLO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863759889 653719543 /nfs/dbraw/zinc/71/95/43/653719543.db2.gz MJEKKCWHQOVCBN-FVQBIDKESA-N 1 2 393.281 2.217 20 0 GEADLO COCCNC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787194653 653735530 /nfs/dbraw/zinc/73/55/30/653735530.db2.gz GWSMLYVHXHXXQR-UHFFFAOYSA-N 1 2 387.347 2.134 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)c3cc[n+]([O-])cc3)cc2Br)CC1 ZINC000787535623 653739721 /nfs/dbraw/zinc/73/97/21/653739721.db2.gz GFFYKWVBWPFDNE-UHFFFAOYSA-N 1 2 391.269 2.087 20 0 GEADLO CC(C)[NH+]1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)CC1 ZINC000881794163 653739764 /nfs/dbraw/zinc/73/97/64/653739764.db2.gz RVYGOQUTFFKNNI-UHFFFAOYSA-N 1 2 383.212 2.099 20 0 GEADLO Cn1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cn1 ZINC000787536516 653739780 /nfs/dbraw/zinc/73/97/80/653739780.db2.gz QIDCZIPRLOEDGY-UHFFFAOYSA-N 1 2 378.274 2.187 20 0 GEADLO CSc1cc(C)ccc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000841726220 653740029 /nfs/dbraw/zinc/74/00/29/653740029.db2.gz IKEBJMKHMOWDFY-UHFFFAOYSA-N 1 2 385.555 2.347 20 0 GEADLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864827250 653746126 /nfs/dbraw/zinc/74/61/26/653746126.db2.gz FFCCCSQPTTVURQ-KGLIPLIRSA-N 1 2 383.235 2.380 20 0 GEADLO Cc1nc(C[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)sc1Br ZINC000842150724 653746891 /nfs/dbraw/zinc/74/68/91/653746891.db2.gz WYQXQYDZEXZIGJ-SNVBAGLBSA-N 1 2 384.303 2.233 20 0 GEADLO CC(C)n1ncc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1I ZINC000864883826 653747570 /nfs/dbraw/zinc/74/75/70/653747570.db2.gz GRZMQNNAEQGXDE-JTQLQIEISA-N 1 2 387.225 2.084 20 0 GEADLO COC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)s1 ZINC000788091948 653749933 /nfs/dbraw/zinc/74/99/33/653749933.db2.gz VCIOYKLEUBRVRX-UHFFFAOYSA-N 1 2 380.451 2.095 20 0 GEADLO Cc1ccc(I)c(OS(=O)(=O)CCn2cc[nH+]c2)c1 ZINC000881960099 653753131 /nfs/dbraw/zinc/75/31/31/653753131.db2.gz LAIMRHCPXGWIOU-UHFFFAOYSA-N 1 2 392.218 2.205 20 0 GEADLO O=C(c1cc(Br)n[nH]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000788265850 653753563 /nfs/dbraw/zinc/75/35/63/653753563.db2.gz WEXJJDLRZKQVRB-UHFFFAOYSA-N 1 2 379.258 2.009 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000881986565 653755143 /nfs/dbraw/zinc/75/51/43/653755143.db2.gz MZJUXHQKSCMEFD-BEWRWRNKSA-N 1 2 388.559 2.441 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)CC[C@@H]1CC1(Cl)Cl ZINC000882010214 653757077 /nfs/dbraw/zinc/75/70/77/653757077.db2.gz KDUKZGUKVAPDOC-CYBMUJFWSA-N 1 2 387.373 2.190 20 0 GEADLO O=c1c(Br)c(N2CC[C@H]([NH+]3CC=CC3)C2)cnn1CC(F)(F)F ZINC000882022051 653757826 /nfs/dbraw/zinc/75/78/26/653757826.db2.gz NALLUZDKHNFYPV-JTQLQIEISA-N 1 2 393.207 2.019 20 0 GEADLO O=c1oc2cc(Br)ccc2n1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000842616302 653760460 /nfs/dbraw/zinc/76/04/60/653760460.db2.gz QOAKGUVMSJSQPZ-LBPRGKRZSA-N 1 2 390.241 2.291 20 0 GEADLO O=c1oc2cc(Br)ccc2n1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000842616302 653760464 /nfs/dbraw/zinc/76/04/64/653760464.db2.gz QOAKGUVMSJSQPZ-LBPRGKRZSA-N 1 2 390.241 2.291 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)c(C)c1Cl ZINC000788670363 653762634 /nfs/dbraw/zinc/76/26/34/653762634.db2.gz SYYAONJWHYVZDT-UHFFFAOYSA-N 1 2 392.930 2.427 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)c(C)c1Cl ZINC000788670363 653762636 /nfs/dbraw/zinc/76/26/36/653762636.db2.gz SYYAONJWHYVZDT-UHFFFAOYSA-N 1 2 392.930 2.427 20 0 GEADLO Cc1ccnc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1Br ZINC000865426500 653765022 /nfs/dbraw/zinc/76/50/22/653765022.db2.gz RJDPOKKYNODVKD-UHFFFAOYSA-N 1 2 398.326 2.362 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+]Cc3nccc(C)c3Br)C2=O)n(C)n1 ZINC000865478760 653766393 /nfs/dbraw/zinc/76/63/93/653766393.db2.gz OCWASJUZMMNHRO-GFCCVEGCSA-N 1 2 378.274 2.090 20 0 GEADLO COc1ncc(Br)cc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000865532129 653767807 /nfs/dbraw/zinc/76/78/07/653767807.db2.gz SZYXXCXKSIFVEW-UHFFFAOYSA-N 1 2 393.285 2.374 20 0 GEADLO CO[C@H](CS(=O)(=O)Nc1c(C)[nH+]c2ccc(Cl)cn21)C1CCOCC1 ZINC000842804319 653768542 /nfs/dbraw/zinc/76/85/42/653768542.db2.gz OGFWCBYFRKBKEO-CQSZACIVSA-N 1 2 387.889 2.479 20 0 GEADLO C[C@H]1CCN(c2ccc(Br)cc2S(N)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000865611295 653770012 /nfs/dbraw/zinc/77/00/12/653770012.db2.gz IIHWRKLVHAERJL-FZMZJTMJSA-N 1 2 399.314 2.381 20 0 GEADLO O=S(=O)(c1cnn(CC2CC2)c1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000842841130 653770160 /nfs/dbraw/zinc/77/01/60/653770160.db2.gz JUKDAVBKYNNCIT-QGZVFWFLSA-N 1 2 380.901 2.282 20 0 GEADLO O=S(=O)(c1cnn(CC2CC2)c1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000842841127 653770222 /nfs/dbraw/zinc/77/02/22/653770222.db2.gz JUKDAVBKYNNCIT-KRWDZBQOSA-N 1 2 380.901 2.282 20 0 GEADLO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000842880051 653771525 /nfs/dbraw/zinc/77/15/25/653771525.db2.gz XHJOHKCJAGWUQS-INIZCTEOSA-N 1 2 387.864 2.219 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000865717888 653772705 /nfs/dbraw/zinc/77/27/05/653772705.db2.gz OGUQUQIKCUAEQV-BYPUDFOVSA-N 1 2 394.313 2.032 20 0 GEADLO COc1nc(Br)ccc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000789393365 653774042 /nfs/dbraw/zinc/77/40/42/653774042.db2.gz PKDOVVQRXWLWQC-UHFFFAOYSA-N 1 2 387.278 2.085 20 0 GEADLO COc1nc(Br)ccc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000789393365 653774043 /nfs/dbraw/zinc/77/40/43/653774043.db2.gz PKDOVVQRXWLWQC-UHFFFAOYSA-N 1 2 387.278 2.085 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)Cc1cscc1Br ZINC000842963526 653774886 /nfs/dbraw/zinc/77/48/86/653774886.db2.gz JGJVVEPNLUJLGI-DGCLKSJQSA-N 1 2 392.315 2.332 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)Cc1cscc1Br ZINC000842963526 653774887 /nfs/dbraw/zinc/77/48/87/653774887.db2.gz JGJVVEPNLUJLGI-DGCLKSJQSA-N 1 2 392.315 2.332 20 0 GEADLO COCC[NH2+]Cc1nc(Cc2cccc(F)c2I)no1 ZINC000843210830 653781262 /nfs/dbraw/zinc/78/12/62/653781262.db2.gz YSECBDOJPYGQSY-UHFFFAOYSA-N 1 2 391.184 2.140 20 0 GEADLO CS(=O)(=O)CC[C@H]([NH3+])c1nc(CCc2ccccc2Br)no1 ZINC000843210004 653781438 /nfs/dbraw/zinc/78/14/38/653781438.db2.gz RHUHWSUXYLQBNR-LBPRGKRZSA-N 1 2 388.287 2.052 20 0 GEADLO Cc1c(Br)ccc(O)c1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000820981638 653788148 /nfs/dbraw/zinc/78/81/48/653788148.db2.gz SOVIVGRKNBZSFA-DOMZBBRYSA-N 1 2 399.285 2.281 20 0 GEADLO CO[C@]1(C(F)(F)F)CCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000882631924 653792165 /nfs/dbraw/zinc/79/21/65/653792165.db2.gz PFLISAXTDUTDMW-OAHLLOKOSA-N 1 2 378.416 2.016 20 0 GEADLO CO[C@]1(C(F)(F)F)CCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000882631924 653792166 /nfs/dbraw/zinc/79/21/66/653792166.db2.gz PFLISAXTDUTDMW-OAHLLOKOSA-N 1 2 378.416 2.016 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(C3SCCS3)cc2)C1 ZINC000866402140 653793264 /nfs/dbraw/zinc/79/32/64/653793264.db2.gz IGKNEYTWEPEKBZ-CQSZACIVSA-N 1 2 375.537 2.204 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(C3SCCS3)cc2)C1 ZINC000866402140 653793266 /nfs/dbraw/zinc/79/32/66/653793266.db2.gz IGKNEYTWEPEKBZ-CQSZACIVSA-N 1 2 375.537 2.204 20 0 GEADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCn1cnc(Br)n1 ZINC000821336466 653795135 /nfs/dbraw/zinc/79/51/35/653795135.db2.gz BKLQGSNPQUEXTE-LLVKDONJSA-N 1 2 387.303 2.137 20 0 GEADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCn1cnc(Br)n1 ZINC000821336466 653795139 /nfs/dbraw/zinc/79/51/39/653795139.db2.gz BKLQGSNPQUEXTE-LLVKDONJSA-N 1 2 387.303 2.137 20 0 GEADLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000882735285 653801298 /nfs/dbraw/zinc/80/12/98/653801298.db2.gz BAIJWZOUVOCUGO-UHFFFAOYSA-N 1 2 375.922 2.247 20 0 GEADLO Cc1nn(C)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1Br ZINC000821664267 653803115 /nfs/dbraw/zinc/80/31/15/653803115.db2.gz KSBBUKDMZRUEOI-AWEZNQCLSA-N 1 2 393.285 2.331 20 0 GEADLO Cc1nn(C)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Br ZINC000821664267 653803116 /nfs/dbraw/zinc/80/31/16/653803116.db2.gz KSBBUKDMZRUEOI-AWEZNQCLSA-N 1 2 393.285 2.331 20 0 GEADLO CN(CC(F)F)C1CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000844308554 653804861 /nfs/dbraw/zinc/80/48/61/653804861.db2.gz SOJAYVBISIOGQE-UHFFFAOYSA-N 1 2 381.876 2.149 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000844308554 653804864 /nfs/dbraw/zinc/80/48/64/653804864.db2.gz SOJAYVBISIOGQE-UHFFFAOYSA-N 1 2 381.876 2.149 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000844308554 653804866 /nfs/dbraw/zinc/80/48/66/653804866.db2.gz SOJAYVBISIOGQE-UHFFFAOYSA-N 1 2 381.876 2.149 20 0 GEADLO CS(=O)(=O)c1ccc([C@H](O)C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000844384060 653805683 /nfs/dbraw/zinc/80/56/83/653805683.db2.gz RRDHGBQAJRBBCY-CYBMUJFWSA-N 1 2 381.391 2.490 20 0 GEADLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1nc[nH]c1Br)c1ccco1 ZINC000866644283 653808039 /nfs/dbraw/zinc/80/80/39/653808039.db2.gz SPEAMKRXAAUXGL-JTQLQIEISA-N 1 2 391.291 2.127 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882838097 653812818 /nfs/dbraw/zinc/81/28/18/653812818.db2.gz YHVGEHYGHLYFKB-CQSZACIVSA-N 1 2 379.873 2.298 20 0 GEADLO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1=S ZINC000844744909 653816647 /nfs/dbraw/zinc/81/66/47/653816647.db2.gz TXOYORRPXOANOF-PDFCIVNMSA-N 1 2 385.603 2.390 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1F ZINC000866750801 653819172 /nfs/dbraw/zinc/81/91/72/653819172.db2.gz QQRXOUXJFBBKBS-BSEYFRJRSA-N 1 2 389.518 2.087 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1F ZINC000866750804 653819209 /nfs/dbraw/zinc/81/92/09/653819209.db2.gz QQRXOUXJFBBKBS-SHACYNPGSA-N 1 2 389.518 2.087 20 0 GEADLO COC(=O)[C@]1(O)CCN(c2cc(C)[nH+]c(-c3ccc(Br)cc3)n2)C1 ZINC000883000728 653821593 /nfs/dbraw/zinc/82/15/93/653821593.db2.gz JSMSYUBHOHHBGZ-KRWDZBQOSA-N 1 2 392.253 2.329 20 0 GEADLO CN(CC(=O)OCc1cc[nH+]c(N)c1)C(=O)c1ccc(Br)s1 ZINC000791764999 653823436 /nfs/dbraw/zinc/82/34/36/653823436.db2.gz NLHOQDFXBOJGOD-UHFFFAOYSA-N 1 2 384.255 2.303 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000895227832 653823505 /nfs/dbraw/zinc/82/35/05/653823505.db2.gz DYZFPIAHLWGCKP-UHFFFAOYSA-N 1 2 397.142 2.123 20 0 GEADLO CSc1ccc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)o1 ZINC000883072426 653824917 /nfs/dbraw/zinc/82/49/17/653824917.db2.gz LXPPGVUALUMRBW-UHFFFAOYSA-N 1 2 382.511 2.090 20 0 GEADLO C[C@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1ccc(Br)c(F)c1 ZINC000883334870 653835835 /nfs/dbraw/zinc/83/58/35/653835835.db2.gz IWGLERDRLMORMC-VIFPVBQESA-N 1 2 380.221 2.180 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883367055 653837373 /nfs/dbraw/zinc/83/73/73/653837373.db2.gz GWFKQFRCYLKBCK-SNVBAGLBSA-N 1 2 381.750 2.392 20 0 GEADLO C[C@@H](CC(=O)OCc1nnnn1-c1ccccc1Br)n1cc[nH+]c1 ZINC000845280885 653842491 /nfs/dbraw/zinc/84/24/91/653842491.db2.gz IQCUDTIKTQDLIE-NSHDSACASA-N 1 2 391.229 2.316 20 0 GEADLO Cc1ccc(NC(=O)c2cc(I)nn2C)c(N(C)C)[nH+]1 ZINC000866896654 653845654 /nfs/dbraw/zinc/84/56/54/653845654.db2.gz FKNXFPUQZOQNMC-UHFFFAOYSA-N 1 2 385.209 2.046 20 0 GEADLO COc1cc(/C=C\C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc(Br)c1O ZINC000822952261 653847145 /nfs/dbraw/zinc/84/71/45/653847145.db2.gz PTTDBAHFZFWQMT-MVZIDQBPSA-N 1 2 399.285 2.013 20 0 GEADLO COc1cc(/C=C\C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc(Br)c1O ZINC000822952261 653847150 /nfs/dbraw/zinc/84/71/50/653847150.db2.gz PTTDBAHFZFWQMT-MVZIDQBPSA-N 1 2 399.285 2.013 20 0 GEADLO Brc1cnc([C@@H]2CCCN2c2cc[nH+]c(N3CCOCC3)n2)nc1 ZINC000895712911 653847304 /nfs/dbraw/zinc/84/73/04/653847304.db2.gz HUNORAUCXNWVQY-ZDUSSCGKSA-N 1 2 391.273 2.207 20 0 GEADLO C[C@@H]1C[C@H](NS(=O)(=O)N=S2(=O)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000866929752 653851078 /nfs/dbraw/zinc/85/10/78/653851078.db2.gz HRAOTMFORMCADF-NVXWUHKLSA-N 1 2 385.555 2.136 20 0 GEADLO C[C@@H]1C[C@H](NS(=O)(=O)N=S2(=O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000866929752 653851081 /nfs/dbraw/zinc/85/10/81/653851081.db2.gz HRAOTMFORMCADF-NVXWUHKLSA-N 1 2 385.555 2.136 20 0 GEADLO CC(C)(O)C[NH+]1CCN(C(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000823152544 653855883 /nfs/dbraw/zinc/85/58/83/653855883.db2.gz UOIKPHUZPAIVKM-UHFFFAOYSA-N 1 2 391.256 2.456 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2cc(Br)ccc2Cl)C1 ZINC000867011370 653865152 /nfs/dbraw/zinc/86/51/52/653865152.db2.gz OGGYXJKHFPTSDK-JTQLQIEISA-N 1 2 384.679 2.142 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2cc(Br)ccc2Cl)C1 ZINC000867011370 653865156 /nfs/dbraw/zinc/86/51/56/653865156.db2.gz OGGYXJKHFPTSDK-JTQLQIEISA-N 1 2 384.679 2.142 20 0 GEADLO COCC(C)(C)[NH+]1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000823461043 653869253 /nfs/dbraw/zinc/86/92/53/653869253.db2.gz BTABVNBLBMKRQG-UHFFFAOYSA-N 1 2 376.469 2.226 20 0 GEADLO COC(=O)[C@](C)(NC(=O)CCc1c[nH]c[nH+]1)c1cccc(Br)c1 ZINC000793476559 653878900 /nfs/dbraw/zinc/87/89/00/653878900.db2.gz VJHKJIHZNLDKBL-MRXNPFEDSA-N 1 2 380.242 2.309 20 0 GEADLO COC(=O)[C@](C)(NC(=O)CCc1c[nH+]c[nH]1)c1cccc(Br)c1 ZINC000793476559 653878904 /nfs/dbraw/zinc/87/89/04/653878904.db2.gz VJHKJIHZNLDKBL-MRXNPFEDSA-N 1 2 380.242 2.309 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc2ccc(Br)cc2c(=O)[nH]1 ZINC000884505432 653879312 /nfs/dbraw/zinc/87/93/12/653879312.db2.gz HLPOIMFWEVWPIH-DGCLKSJQSA-N 1 2 393.285 2.397 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896526843 653882557 /nfs/dbraw/zinc/88/25/57/653882557.db2.gz LPVNFZAZLYUKIE-UHEFJODHSA-N 1 2 394.357 2.477 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896526843 653882561 /nfs/dbraw/zinc/88/25/61/653882561.db2.gz LPVNFZAZLYUKIE-UHEFJODHSA-N 1 2 394.357 2.477 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896537482 653882920 /nfs/dbraw/zinc/88/29/20/653882920.db2.gz ZKPSDLOTQJEMGX-SJWGOKEGSA-N 1 2 380.330 2.303 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896537482 653882923 /nfs/dbraw/zinc/88/29/23/653882923.db2.gz ZKPSDLOTQJEMGX-SJWGOKEGSA-N 1 2 380.330 2.303 20 0 GEADLO Cc1c[nH+]c(N[C@@H](CCO)C(F)(F)F)nc1N[C@H](CCO)C(F)(F)F ZINC000884835027 653890431 /nfs/dbraw/zinc/89/04/31/653890431.db2.gz JKEIJYUMBBUVDF-BDAKNGLRSA-N 1 2 376.301 2.235 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NO[C@@H](CO)C(C)C)[nH+]c12 ZINC000824498786 653898145 /nfs/dbraw/zinc/89/81/45/653898145.db2.gz GGTGBYOXUKOBQQ-AWEZNQCLSA-N 1 2 399.289 2.195 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000867231522 653899204 /nfs/dbraw/zinc/89/92/04/653899204.db2.gz YOMGIEXDQYMEOD-CQSZACIVSA-N 1 2 388.559 2.151 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000867234987 653900079 /nfs/dbraw/zinc/90/00/79/653900079.db2.gz PDWPIUDNKQMXMZ-VOIUYBSRSA-N 1 2 387.571 2.239 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000867234987 653900082 /nfs/dbraw/zinc/90/00/82/653900082.db2.gz PDWPIUDNKQMXMZ-VOIUYBSRSA-N 1 2 387.571 2.239 20 0 GEADLO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000867237418 653900417 /nfs/dbraw/zinc/90/04/17/653900417.db2.gz UZSIRQVFASPELU-GFCCVEGCSA-N 1 2 394.324 2.121 20 0 GEADLO Cc1cn(C(C)(C)C(=O)NC[C@@H](O)COc2ccccc2Br)c[nH+]1 ZINC000897016075 653903968 /nfs/dbraw/zinc/90/39/68/653903968.db2.gz NSUPMMKXXATHRY-CYBMUJFWSA-N 1 2 396.285 2.245 20 0 GEADLO C[C@]1(CCNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@]1(F)Cl ZINC000846728980 653907982 /nfs/dbraw/zinc/90/79/82/653907982.db2.gz MTMOZNBAJKBLEY-DLBZAZTESA-N 1 2 387.908 2.043 20 0 GEADLO C[C@]1(CCNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@]1(F)Cl ZINC000846728980 653907984 /nfs/dbraw/zinc/90/79/84/653907984.db2.gz MTMOZNBAJKBLEY-DLBZAZTESA-N 1 2 387.908 2.043 20 0 GEADLO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](CC2(Br)CC2)CC1 ZINC000846766952 653909176 /nfs/dbraw/zinc/90/91/76/653909176.db2.gz KVGFWCAGQHVKRH-UHFFFAOYSA-N 1 2 391.306 2.450 20 0 GEADLO O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](CC2(Br)CC2)CC1 ZINC000846766952 653909178 /nfs/dbraw/zinc/90/91/78/653909178.db2.gz KVGFWCAGQHVKRH-UHFFFAOYSA-N 1 2 391.306 2.450 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1c(F)cccc1Br)C1CCOCC1 ZINC000824903823 653912342 /nfs/dbraw/zinc/91/23/42/653912342.db2.gz NCOQKIGPFRBBEF-UHFFFAOYSA-N 1 2 380.279 2.272 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000846913901 653912595 /nfs/dbraw/zinc/91/25/95/653912595.db2.gz VUKPBAZPNGHRKZ-OAHLLOKOSA-N 1 2 386.945 2.299 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000846913901 653912600 /nfs/dbraw/zinc/91/26/00/653912600.db2.gz VUKPBAZPNGHRKZ-OAHLLOKOSA-N 1 2 386.945 2.299 20 0 GEADLO COc1nsc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1Br ZINC000897260071 653913299 /nfs/dbraw/zinc/91/32/99/653913299.db2.gz XJXMLIXKSOINQS-JTQLQIEISA-N 1 2 377.304 2.420 20 0 GEADLO O=C(c1nc(F)ccc1Br)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825100049 653918010 /nfs/dbraw/zinc/91/80/10/653918010.db2.gz RSPOZLZUCWKFLY-UHFFFAOYSA-N 1 2 393.260 2.379 20 0 GEADLO CC(C)(C)n1ncc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1Br ZINC000825185875 653920127 /nfs/dbraw/zinc/92/01/27/653920127.db2.gz SKLKTKOBBFAHBD-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO CC(C)(C)n1ncc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1Br ZINC000825185875 653920133 /nfs/dbraw/zinc/92/01/33/653920133.db2.gz SKLKTKOBBFAHBD-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000825329287 653925365 /nfs/dbraw/zinc/92/53/65/653925365.db2.gz VLQNBCSUNYQJCE-CKEIUWERSA-N 1 2 378.270 2.386 20 0 GEADLO C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000825329287 653925368 /nfs/dbraw/zinc/92/53/68/653925368.db2.gz VLQNBCSUNYQJCE-CKEIUWERSA-N 1 2 378.270 2.386 20 0 GEADLO O=C(c1nc(F)ccc1Br)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000847479533 653930351 /nfs/dbraw/zinc/93/03/51/653930351.db2.gz AATHTABOSVSDKG-GFCCVEGCSA-N 1 2 386.265 2.310 20 0 GEADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H](O)c2cccc(Br)c2)[nH]n1 ZINC000897669376 653932472 /nfs/dbraw/zinc/93/24/72/653932472.db2.gz RYVSRQVVFFDMFW-HOTGVXAUSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H](O)c2cccc(Br)c2)[nH]n1 ZINC000897669376 653932477 /nfs/dbraw/zinc/93/24/77/653932477.db2.gz RYVSRQVVFFDMFW-HOTGVXAUSA-N 1 2 393.285 2.402 20 0 GEADLO Cc1ccc(Br)c2cc(C(=O)N[C@@H](CO)c3c[nH+]cn3C)[nH]c21 ZINC000825530034 653932781 /nfs/dbraw/zinc/93/27/81/653932781.db2.gz BDCWRGBWWPTKIY-ZDUSSCGKSA-N 1 2 377.242 2.436 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)N(C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867449352 653933704 /nfs/dbraw/zinc/93/37/04/653933704.db2.gz RRFHGTZWYUZFNM-BXKMTCNYSA-N 1 2 387.571 2.334 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000867449352 653933706 /nfs/dbraw/zinc/93/37/06/653933706.db2.gz RRFHGTZWYUZFNM-BXKMTCNYSA-N 1 2 387.571 2.334 20 0 GEADLO CC(C)c1cc(=O)[nH]c(N2CC[C@@H]([NH2+]Cc3nc(Br)c[nH]3)C2)n1 ZINC000897706741 653934466 /nfs/dbraw/zinc/93/44/66/653934466.db2.gz SRAQXNOQGYNKGL-SNVBAGLBSA-N 1 2 381.278 2.160 20 0 GEADLO O=C(c1nc(Cl)sc1Cl)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000847572951 653935418 /nfs/dbraw/zinc/93/54/18/653935418.db2.gz ZQGDYFOFCFQMSY-SNVBAGLBSA-N 1 2 380.297 2.013 20 0 GEADLO Cn1cc(C[N@@H+]2CCc3cc(Cl)cc(Br)c3C2)c(=O)n(C)c1=O ZINC000897755293 653936215 /nfs/dbraw/zinc/93/62/15/653936215.db2.gz YLALRASSKFSJNZ-UHFFFAOYSA-N 1 2 398.688 2.058 20 0 GEADLO Cn1cc(C[N@H+]2CCc3cc(Cl)cc(Br)c3C2)c(=O)n(C)c1=O ZINC000897755293 653936220 /nfs/dbraw/zinc/93/62/20/653936220.db2.gz YLALRASSKFSJNZ-UHFFFAOYSA-N 1 2 398.688 2.058 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000795277703 653942213 /nfs/dbraw/zinc/94/22/13/653942213.db2.gz FTKZSODDTPVNLX-UHFFFAOYSA-N 1 2 393.278 2.137 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000795277703 653942214 /nfs/dbraw/zinc/94/22/14/653942214.db2.gz FTKZSODDTPVNLX-UHFFFAOYSA-N 1 2 393.278 2.137 20 0 GEADLO C[C@]1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1(Br)Br ZINC000825927608 653944007 /nfs/dbraw/zinc/94/40/07/653944007.db2.gz GKGGZIVYAUOACZ-GFCCVEGCSA-N 1 2 398.139 2.110 20 0 GEADLO C[C@]1(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1(Br)Br ZINC000825927608 653944009 /nfs/dbraw/zinc/94/40/09/653944009.db2.gz GKGGZIVYAUOACZ-GFCCVEGCSA-N 1 2 398.139 2.110 20 0 GEADLO COC(=O)c1cc(C2C[NH+](Cc3cc4c(c(Br)c3)OCO4)C2)[nH]n1 ZINC000898008190 653949857 /nfs/dbraw/zinc/94/98/57/653949857.db2.gz OATVXIRSXVMTQD-UHFFFAOYSA-N 1 2 394.225 2.287 20 0 GEADLO Cc1[nH]c(=O)[nH]c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000847873225 653950245 /nfs/dbraw/zinc/95/02/45/653950245.db2.gz UXNOZQMFCBSWOI-UHFFFAOYSA-N 1 2 394.273 2.190 20 0 GEADLO C[C@H]([C@H](C)NC(=O)[C@]1(C)CC1(Br)Br)[NH+]1CCOCC1 ZINC000826572247 653953625 /nfs/dbraw/zinc/95/36/25/653953625.db2.gz OFINADMULCMETB-UMNHJUIQSA-N 1 2 398.139 2.108 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)n1 ZINC000898312577 653962260 /nfs/dbraw/zinc/96/22/60/653962260.db2.gz ITPLKOQTXLVXKT-NSHDSACASA-N 1 2 378.420 2.477 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)n1 ZINC000898312576 653962361 /nfs/dbraw/zinc/96/23/61/653962361.db2.gz ITPLKOQTXLVXKT-LLVKDONJSA-N 1 2 378.420 2.477 20 0 GEADLO CO[C@H](C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000795751768 653965129 /nfs/dbraw/zinc/96/51/29/653965129.db2.gz ZHAUZMOUNAAYRK-BDJLRTHQSA-N 1 2 384.274 2.140 20 0 GEADLO CO[C@H](C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000795751768 653965132 /nfs/dbraw/zinc/96/51/32/653965132.db2.gz ZHAUZMOUNAAYRK-BDJLRTHQSA-N 1 2 384.274 2.140 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ncc(Br)cn2)C1 ZINC000898392956 653968155 /nfs/dbraw/zinc/96/81/55/653968155.db2.gz ZSUKVBLYRUBXIM-NSHDSACASA-N 1 2 379.262 2.062 20 0 GEADLO O=C(NCCCCNc1cccc[nH+]1)NCc1ncc(Br)cn1 ZINC000898401741 653969155 /nfs/dbraw/zinc/96/91/55/653969155.db2.gz WTCLIQUSDBRVDA-UHFFFAOYSA-N 1 2 379.262 2.326 20 0 GEADLO O=C([C@H](O)c1c[nH+]c[nH]1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000867686940 653973415 /nfs/dbraw/zinc/97/34/15/653973415.db2.gz WPLWBOAQMBLPAO-MRXNPFEDSA-N 1 2 394.269 2.413 20 0 GEADLO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898503143 653974382 /nfs/dbraw/zinc/97/43/82/653974382.db2.gz JQQBTHGCPXLDEU-LBPRGKRZSA-N 1 2 383.265 2.500 20 0 GEADLO Cn1nc2cc(Br)ccc2c1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898503143 653974388 /nfs/dbraw/zinc/97/43/88/653974388.db2.gz JQQBTHGCPXLDEU-LBPRGKRZSA-N 1 2 383.265 2.500 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)[C@@H](C)C1 ZINC000796072821 653984713 /nfs/dbraw/zinc/98/47/13/653984713.db2.gz LODSYCUPLRQURL-JTQLQIEISA-N 1 2 395.308 2.495 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)[C@@H](C)C1 ZINC000796072821 653984718 /nfs/dbraw/zinc/98/47/18/653984718.db2.gz LODSYCUPLRQURL-JTQLQIEISA-N 1 2 395.308 2.495 20 0 GEADLO CCOc1c(Br)cc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1OC ZINC000898879943 653990697 /nfs/dbraw/zinc/99/06/97/653990697.db2.gz UUOBWHZGKSMULM-LBPRGKRZSA-N 1 2 398.257 2.053 20 0 GEADLO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898888034 653990931 /nfs/dbraw/zinc/99/09/31/653990931.db2.gz MYAJKPQEQNWENS-IINYFYTJSA-N 1 2 384.249 2.350 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1(Cc2ccccc2Br)CC1 ZINC000898892691 653991350 /nfs/dbraw/zinc/99/13/50/653991350.db2.gz SVBZLTWKSYHAKT-AWEZNQCLSA-N 1 2 378.270 2.355 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000827445733 653991952 /nfs/dbraw/zinc/99/19/52/653991952.db2.gz XPELSTCBVGGCFN-KRWDZBQOSA-N 1 2 386.323 2.265 20 0 GEADLO OCCOCC1(O)CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000886740928 653997099 /nfs/dbraw/zinc/99/70/99/653997099.db2.gz ODWPQAROTHVPMG-UHFFFAOYSA-N 1 2 378.694 2.438 20 0 GEADLO OCCOCC1(O)CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000886740765 653997110 /nfs/dbraw/zinc/99/71/10/653997110.db2.gz IEFRILLUFYOGPW-UHFFFAOYSA-N 1 2 378.694 2.438 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899060731 653997913 /nfs/dbraw/zinc/99/79/13/653997913.db2.gz ZNNQRLSPTTZBRQ-CQSZACIVSA-N 1 2 397.313 2.193 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899060731 653997917 /nfs/dbraw/zinc/99/79/17/653997917.db2.gz ZNNQRLSPTTZBRQ-CQSZACIVSA-N 1 2 397.313 2.193 20 0 GEADLO OCCOCC1(O)CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000886751059 653997942 /nfs/dbraw/zinc/99/79/42/653997942.db2.gz GNPYTNWJSIFLIZ-UHFFFAOYSA-N 1 2 378.694 2.438 20 0 GEADLO Cc1c(Br)ccc(F)c1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000827910358 654012582 /nfs/dbraw/zinc/01/25/82/654012582.db2.gz JDLCSKFXBRKJQI-CQSZACIVSA-N 1 2 381.249 2.417 20 0 GEADLO O=C(N[C@@H]1COc2cccc(Br)c2C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000828026629 654016495 /nfs/dbraw/zinc/01/64/95/654016495.db2.gz FNMIGGSUXDRGGX-NEPJUHHUSA-N 1 2 376.254 2.328 20 0 GEADLO CNC(=O)C1([NH2+]Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CCOCC1 ZINC000887084911 654020044 /nfs/dbraw/zinc/02/00/44/654020044.db2.gz TYHLIDLEAOQKTF-UHFFFAOYSA-N 1 2 385.251 2.428 20 0 GEADLO CC(C)n1ncc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1Br ZINC000868274732 654026913 /nfs/dbraw/zinc/02/69/13/654026913.db2.gz HSLNLLIGDIZKMX-CHWSQXEVSA-N 1 2 385.306 2.162 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn(-c3cc(C(F)(F)F)ccc3Cl)nn2)C1 ZINC000887429648 654034165 /nfs/dbraw/zinc/03/41/65/654034165.db2.gz YQGJQRJJLZONBU-JTQLQIEISA-N 1 2 394.806 2.216 20 0 GEADLO COC(=O)c1cc(C2C[NH+](C[C@@H](O)c3ccc(F)c(Br)c3)C2)[nH]n1 ZINC000899914748 654036831 /nfs/dbraw/zinc/03/68/31/654036831.db2.gz PMBVWRYFDLRJOG-OAHLLOKOSA-N 1 2 398.232 2.231 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N1CCC(O)(c2scnc2Br)CC1 ZINC000797772176 654040685 /nfs/dbraw/zinc/04/06/85/654040685.db2.gz GYQAGUDMFYTPRA-UHFFFAOYSA-N 1 2 399.314 2.393 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N[C@H]1COc2cccc(Br)c2C1 ZINC000868521386 654041118 /nfs/dbraw/zinc/04/11/18/654041118.db2.gz WRQVJJYTUSOYFJ-VXGBXAGGSA-N 1 2 391.269 2.263 20 0 GEADLO C/C(=C/C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C[NH+]1CCOCC1 ZINC000899956849 654042531 /nfs/dbraw/zinc/04/25/31/654042531.db2.gz JKNMXJBXSLTLAN-WQLSENKSSA-N 1 2 386.279 2.327 20 0 GEADLO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cc(F)c3O)[C@H]2C1 ZINC000868570464 654044022 /nfs/dbraw/zinc/04/40/22/654044022.db2.gz XCRHWSZKWIPOQK-UONOGXRCSA-N 1 2 387.249 2.229 20 0 GEADLO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cc(F)c3O)[C@H]2C1 ZINC000868570464 654044025 /nfs/dbraw/zinc/04/40/25/654044025.db2.gz XCRHWSZKWIPOQK-UONOGXRCSA-N 1 2 387.249 2.229 20 0 GEADLO [NH3+][C@H](c1nc(C[C@@H]2CCCO2)no1)c1ccccc1I ZINC000899997721 654046439 /nfs/dbraw/zinc/04/64/39/654046439.db2.gz FCWUSRFRVUHVIB-ZANVPECISA-N 1 2 385.205 2.444 20 0 GEADLO COC[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1cccc(Br)c1 ZINC000868691888 654050429 /nfs/dbraw/zinc/05/04/29/654050429.db2.gz BFQJPHWTTBDMAI-OAHLLOKOSA-N 1 2 381.274 2.412 20 0 GEADLO O=C(NC[C@H]1CC1(Cl)Cl)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000900120672 654050897 /nfs/dbraw/zinc/05/08/97/654050897.db2.gz DTRNVKXAJLUHSJ-OCCSQVGLSA-N 1 2 387.311 2.327 20 0 GEADLO O=C(NC[C@H]1CC1(Cl)Cl)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000900120672 654050902 /nfs/dbraw/zinc/05/09/02/654050902.db2.gz DTRNVKXAJLUHSJ-OCCSQVGLSA-N 1 2 387.311 2.327 20 0 GEADLO O=C(NCCC[C@H]1CC1(Cl)Cl)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868748014 654054011 /nfs/dbraw/zinc/05/40/11/654054011.db2.gz JXLILFRXQZLTBR-AWEZNQCLSA-N 1 2 386.327 2.320 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1cccc(F)c1Br ZINC000828984335 654057187 /nfs/dbraw/zinc/05/71/87/654057187.db2.gz ZBFKLZQLMQAYRL-ZDUSSCGKSA-N 1 2 398.232 2.075 20 0 GEADLO Cn1ccnc1[C@@](O)(C[NH2+]Cc1c(F)cncc1Br)C(F)(F)F ZINC000850135562 654067054 /nfs/dbraw/zinc/06/70/54/654067054.db2.gz SNRJAHJBYDYKRU-LBPRGKRZSA-N 1 2 397.170 2.256 20 0 GEADLO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000900543401 654069438 /nfs/dbraw/zinc/06/94/38/654069438.db2.gz YNTXVTHWTDVWEC-SNVBAGLBSA-N 1 2 382.251 2.248 20 0 GEADLO COCCOc1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cc1Br ZINC000888294952 654075553 /nfs/dbraw/zinc/07/55/53/654075553.db2.gz UFKZDAAJVOSHPQ-NSCUHMNNSA-N 1 2 399.285 2.301 20 0 GEADLO C[C@H](CNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)Cn1cc[nH+]c1 ZINC000900787511 654080503 /nfs/dbraw/zinc/08/05/03/654080503.db2.gz LUULXGKVSWQSJE-ABAIWWIYSA-N 1 2 392.253 2.180 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(SC(F)(F)F)c1 ZINC000829806926 654080923 /nfs/dbraw/zinc/08/09/23/654080923.db2.gz UWAIPDYRVIKJJC-CYBMUJFWSA-N 1 2 378.416 2.064 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(F)(F)c2ccccc2Br)[C@H](C)C1 ZINC000829910121 654083916 /nfs/dbraw/zinc/08/39/16/654083916.db2.gz CCNPWZYIENFZSU-VXGBXAGGSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(C(=O)C(F)(F)c2ccccc2Br)[C@H](C)C1 ZINC000829910121 654083919 /nfs/dbraw/zinc/08/39/19/654083919.db2.gz CCNPWZYIENFZSU-VXGBXAGGSA-N 1 2 391.256 2.454 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1c[nH]nc1Cl ZINC000830093481 654098076 /nfs/dbraw/zinc/09/80/76/654098076.db2.gz WANXBXXRNZHABM-UHFFFAOYSA-N 1 2 390.843 2.284 20 0 GEADLO C[C@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000830107371 654098986 /nfs/dbraw/zinc/09/89/86/654098986.db2.gz OVRMJEZGPLUKDN-FZMZJTMJSA-N 1 2 382.873 2.058 20 0 GEADLO C[C@@H](Sc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1)[C@H](C)O ZINC000916722441 654106004 /nfs/dbraw/zinc/10/60/04/654106004.db2.gz KZSUBHWBJNYNHD-QWHCGFSZSA-N 1 2 383.539 2.042 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cncc(Br)c2C)C1 ZINC000888902428 654112797 /nfs/dbraw/zinc/11/27/97/654112797.db2.gz RJRBMLISEACGCQ-LBPRGKRZSA-N 1 2 384.274 2.366 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cncc(Br)c2C)C1 ZINC000888902428 654112798 /nfs/dbraw/zinc/11/27/98/654112798.db2.gz RJRBMLISEACGCQ-LBPRGKRZSA-N 1 2 384.274 2.366 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)/C=C/c2ccc(I)o2)CCO1 ZINC000800085016 654128409 /nfs/dbraw/zinc/12/84/09/654128409.db2.gz SFKMJOQULSSVCH-TZNOJPMFSA-N 1 2 391.205 2.161 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)/C=C/c2ccc(I)o2)CCO1 ZINC000800085016 654128413 /nfs/dbraw/zinc/12/84/13/654128413.db2.gz SFKMJOQULSSVCH-TZNOJPMFSA-N 1 2 391.205 2.161 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cncc(Br)c1C ZINC000851102182 654130126 /nfs/dbraw/zinc/13/01/26/654130126.db2.gz KXVJWOOMAGZIIG-WCQYABFASA-N 1 2 387.274 2.045 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cncc(Br)c1C ZINC000851102182 654130131 /nfs/dbraw/zinc/13/01/31/654130131.db2.gz KXVJWOOMAGZIIG-WCQYABFASA-N 1 2 387.274 2.045 20 0 GEADLO COc1cc(I)ccc1C(=O)OCCc1c[nH+]cn1C ZINC000869955805 654132234 /nfs/dbraw/zinc/13/22/34/654132234.db2.gz URRYUFGUUDPLOY-UHFFFAOYSA-N 1 2 386.189 2.433 20 0 GEADLO Cc1ccc(Br)c(C)c1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870058796 654141504 /nfs/dbraw/zinc/14/15/04/654141504.db2.gz ASOLYTFOCAJOAG-HNNXBMFYSA-N 1 2 397.313 2.239 20 0 GEADLO COc1cccc([C@H]2CN(C(=O)c3c[nH]c(=O)c(Br)c3)CC[NH2+]2)c1 ZINC000870151019 654146973 /nfs/dbraw/zinc/14/69/73/654146973.db2.gz RTNXXNMAYNSBOM-OAHLLOKOSA-N 1 2 392.253 2.345 20 0 GEADLO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cn2ccc(-c3nccs3)n2)CC1 ZINC000902672014 654192179 /nfs/dbraw/zinc/19/21/79/654192179.db2.gz PNUBPCHGFVGZMF-RUZDIDTESA-N 1 2 382.559 2.251 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000870887820 654204104 /nfs/dbraw/zinc/20/41/04/654204104.db2.gz GWJATQDZJGJQEE-LBPRGKRZSA-N 1 2 393.285 2.480 20 0 GEADLO O=C(CCn1cc[nH+]c1)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000890202833 654208039 /nfs/dbraw/zinc/20/80/39/654208039.db2.gz RYTHVIYWIBRZMD-UHFFFAOYSA-N 1 2 392.179 2.293 20 0 GEADLO OC1(c2c(F)cccc2F)CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000851955690 654208398 /nfs/dbraw/zinc/20/83/98/654208398.db2.gz IYLHEKNJNVOXSR-UHFFFAOYSA-N 1 2 387.228 2.302 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000851960149 654208796 /nfs/dbraw/zinc/20/87/96/654208796.db2.gz GHGLNXKDQUOKID-XHDPSFHLSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000870942661 654211214 /nfs/dbraw/zinc/21/12/14/654211214.db2.gz RISJNWGEYODWEZ-KSSFIOAISA-N 1 2 392.297 2.318 20 0 GEADLO COc1cc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)cnc1Cl ZINC000920615617 654217308 /nfs/dbraw/zinc/21/73/08/654217308.db2.gz MRELXBVEJYBURM-UHFFFAOYSA-N 1 2 382.873 2.404 20 0 GEADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000802241167 654223913 /nfs/dbraw/zinc/22/39/13/654223913.db2.gz JZYBALMCHBHSNM-OLZOCXBDSA-N 1 2 399.260 2.389 20 0 GEADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000802241167 654223919 /nfs/dbraw/zinc/22/39/19/654223919.db2.gz JZYBALMCHBHSNM-OLZOCXBDSA-N 1 2 399.260 2.389 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802242756 654224435 /nfs/dbraw/zinc/22/44/35/654224435.db2.gz PVEVOSPVQBETRL-UWVGGRQHSA-N 1 2 393.278 2.216 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802242756 654224436 /nfs/dbraw/zinc/22/44/36/654224436.db2.gz PVEVOSPVQBETRL-UWVGGRQHSA-N 1 2 393.278 2.216 20 0 GEADLO C[C@]12CC[N@H+](CCCS(C)(=O)=O)C[C@H]1C2(Br)Br ZINC000852336141 654233722 /nfs/dbraw/zinc/23/37/22/654233722.db2.gz WTQVLXPUEVEKGA-ZJUUUORDSA-N 1 2 389.153 2.249 20 0 GEADLO C[C@]12CC[N@@H+](CCCS(C)(=O)=O)C[C@H]1C2(Br)Br ZINC000852336141 654233726 /nfs/dbraw/zinc/23/37/26/654233726.db2.gz WTQVLXPUEVEKGA-ZJUUUORDSA-N 1 2 389.153 2.249 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(C(=O)NCc1c[nH+]cn1C)C2 ZINC000852343550 654234578 /nfs/dbraw/zinc/23/45/78/654234578.db2.gz DUQJWEXQMWFMSH-UHFFFAOYSA-N 1 2 399.270 2.256 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)NCc2nc(C[NH+](C)C)cs2)c1 ZINC000921093557 654235597 /nfs/dbraw/zinc/23/55/97/654235597.db2.gz PXGUILLZCWPPJV-UHFFFAOYSA-N 1 2 389.930 2.483 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[C@]2(C)Br)CC1 ZINC000871545805 654242398 /nfs/dbraw/zinc/24/23/98/654242398.db2.gz VVFUJFOBOKOTDP-WBMJQRKESA-N 1 2 375.307 2.082 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cscc1Br ZINC000921320698 654246675 /nfs/dbraw/zinc/24/66/75/654246675.db2.gz QJMUSPOFSNJAKA-WDEREUQCSA-N 1 2 397.385 2.369 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1cscc1Br ZINC000921320698 654246681 /nfs/dbraw/zinc/24/66/81/654246681.db2.gz QJMUSPOFSNJAKA-WDEREUQCSA-N 1 2 397.385 2.369 20 0 GEADLO Cc1ncccc1C[NH+]1CCC(n2nncc2I)CC1 ZINC000852533266 654247099 /nfs/dbraw/zinc/24/70/99/654247099.db2.gz WMORCXFGERACDF-UHFFFAOYSA-N 1 2 383.237 2.423 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921323959 654248246 /nfs/dbraw/zinc/24/82/46/654248246.db2.gz QGMGQISTBMZMCD-QWHCGFSZSA-N 1 2 376.931 2.207 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921323959 654248253 /nfs/dbraw/zinc/24/82/53/654248253.db2.gz QGMGQISTBMZMCD-QWHCGFSZSA-N 1 2 376.931 2.207 20 0 GEADLO O=S(=O)(Cc1cccc(F)c1Br)N[C@@H]1C[NH2+]CCC1(F)F ZINC000903522037 654248375 /nfs/dbraw/zinc/24/83/75/654248375.db2.gz MMZXGFSEMZDCHO-SNVBAGLBSA-N 1 2 387.221 2.005 20 0 GEADLO Cc1cccn2cc(CC(=O)NCC3(n4cc(Br)cn4)CC3)[nH+]c12 ZINC000832241207 654251661 /nfs/dbraw/zinc/25/16/61/654251661.db2.gz QZTCKXZULLJAJM-UHFFFAOYSA-N 1 2 388.269 2.450 20 0 GEADLO COc1cc(Br)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C)cc1Cl ZINC000921413153 654265502 /nfs/dbraw/zinc/26/55/02/654265502.db2.gz FNCFDVQLQKVZLL-QMMMGPOBSA-N 1 2 383.695 2.094 20 0 GEADLO COc1cc(Br)c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C)cc1Cl ZINC000921413153 654265507 /nfs/dbraw/zinc/26/55/07/654265507.db2.gz FNCFDVQLQKVZLL-QMMMGPOBSA-N 1 2 383.695 2.094 20 0 GEADLO CC[NH+]1CCC(NC(=O)c2cc(S(C)(=O)=O)oc2C)(C(F)(F)F)CC1 ZINC000891211131 654272103 /nfs/dbraw/zinc/27/21/03/654272103.db2.gz APWHXONDNSMKLN-UHFFFAOYSA-N 1 2 382.404 2.138 20 0 GEADLO C[C@H]1CN(C(=O)C(F)(F)c2ccc(Br)cc2)CC[N@@H+]1CCO ZINC000832548209 654273937 /nfs/dbraw/zinc/27/39/37/654273937.db2.gz SESVIDVSODJDIE-NSHDSACASA-N 1 2 377.229 2.066 20 0 GEADLO C[C@H]1CN(C(=O)C(F)(F)c2ccc(Br)cc2)CC[N@H+]1CCO ZINC000832548209 654273945 /nfs/dbraw/zinc/27/39/45/654273945.db2.gz SESVIDVSODJDIE-NSHDSACASA-N 1 2 377.229 2.066 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CO)c1ccccc1I ZINC000891321879 654283980 /nfs/dbraw/zinc/28/39/80/654283980.db2.gz KWRXAQXXTRAXBM-HZMBPMFUSA-N 1 2 399.232 2.043 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)c1ccccc1I ZINC000891321879 654283984 /nfs/dbraw/zinc/28/39/84/654283984.db2.gz KWRXAQXXTRAXBM-HZMBPMFUSA-N 1 2 399.232 2.043 20 0 GEADLO CC(C)(O)C[C@H](O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000871974088 654297190 /nfs/dbraw/zinc/29/71/90/654297190.db2.gz XGSCDGBPHAKVCN-LBPRGKRZSA-N 1 2 375.296 2.273 20 0 GEADLO [NH3+][C@@H](c1nc(CC(=O)NC2CCCC2)no1)c1ccc(Br)cc1 ZINC000904107410 654302176 /nfs/dbraw/zinc/30/21/76/654302176.db2.gz APSDIDZXXNHQNZ-OAHLLOKOSA-N 1 2 379.258 2.482 20 0 GEADLO O=C(NCCO)C1CC[NH+](Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000891613597 654302947 /nfs/dbraw/zinc/30/29/47/654302947.db2.gz GLILNPIVKHMXDV-UHFFFAOYSA-N 1 2 398.276 2.390 20 0 GEADLO O=C(NCC1C[NH+](C[C@H](O)c2cccc(Br)c2)C1)C(F)(F)F ZINC000871991940 654304148 /nfs/dbraw/zinc/30/41/48/654304148.db2.gz PDSJQICAKMRPOZ-LBPRGKRZSA-N 1 2 381.192 2.093 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000853585174 654306679 /nfs/dbraw/zinc/30/66/79/654306679.db2.gz VTRIBTIWXDIRHX-LBPRGKRZSA-N 1 2 397.273 2.002 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000853585174 654306683 /nfs/dbraw/zinc/30/66/83/654306683.db2.gz VTRIBTIWXDIRHX-LBPRGKRZSA-N 1 2 397.273 2.002 20 0 GEADLO C[C@@]1(C(F)F)C[N@H+](Cn2nc(Br)c(=O)c3ccccc32)CCO1 ZINC000853634161 654311928 /nfs/dbraw/zinc/31/19/28/654311928.db2.gz ISLUFQRYMJQYMH-HNNXBMFYSA-N 1 2 388.212 2.473 20 0 GEADLO C[C@@]1(C(F)F)C[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)CCO1 ZINC000853634161 654311934 /nfs/dbraw/zinc/31/19/34/654311934.db2.gz ISLUFQRYMJQYMH-HNNXBMFYSA-N 1 2 388.212 2.473 20 0 GEADLO Cn1c[nH+]cc1CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000853648280 654312845 /nfs/dbraw/zinc/31/28/45/654312845.db2.gz PLGCETMBAMOFBU-UHFFFAOYSA-N 1 2 380.857 2.495 20 0 GEADLO C[N@H+](Cc1ncc(Br)cc1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000892041599 654326511 /nfs/dbraw/zinc/32/65/11/654326511.db2.gz JVJMVQVLTUTIIM-JTQLQIEISA-N 1 2 382.180 2.145 20 0 GEADLO C[N@@H+](Cc1ncc(Br)cc1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000892041599 654326514 /nfs/dbraw/zinc/32/65/14/654326514.db2.gz JVJMVQVLTUTIIM-JTQLQIEISA-N 1 2 382.180 2.145 20 0 GEADLO OCCNc1nc(N2CCn3ncc(Br)c3C2)[nH+]c2ccccc21 ZINC000853891194 654328851 /nfs/dbraw/zinc/32/88/51/654328851.db2.gz XEOPNZGSKUJSCP-UHFFFAOYSA-N 1 2 389.257 2.013 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc(OC)c2)cs1 ZINC000892180180 654332846 /nfs/dbraw/zinc/33/28/46/654332846.db2.gz RUJPMFJTWNGYGG-AWEZNQCLSA-N 1 2 381.523 2.332 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc(OC)c2)cs1 ZINC000892180180 654332848 /nfs/dbraw/zinc/33/28/48/654332848.db2.gz RUJPMFJTWNGYGG-AWEZNQCLSA-N 1 2 381.523 2.332 20 0 GEADLO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1nc(Br)cs1 ZINC000834673357 654341785 /nfs/dbraw/zinc/34/17/85/654341785.db2.gz QEACKBKJPBNLEW-UWVGGRQHSA-N 1 2 384.303 2.485 20 0 GEADLO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1n[nH]c(C)c1Br ZINC000834710987 654344851 /nfs/dbraw/zinc/34/48/51/654344851.db2.gz HPHDAGSRXPAMOC-LBPRGKRZSA-N 1 2 379.258 2.276 20 0 GEADLO Cc1cc(Br)cc(NC2CC[NH+](CCS(C)(=O)=O)CC2)n1 ZINC000892441100 654346416 /nfs/dbraw/zinc/34/64/16/654346416.db2.gz KMSONXHMDXOFRA-UHFFFAOYSA-N 1 2 376.320 2.073 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC2SCCS2)CC1 ZINC000854267788 654347320 /nfs/dbraw/zinc/34/73/20/654347320.db2.gz LLLINNFPPZYAJW-UHFFFAOYSA-N 1 2 380.539 2.002 20 0 GEADLO O=C1CCCc2cc(Cl)c(S(=O)(=O)NCC[N@H+]3CC=CCC3)cc2N1 ZINC000872482095 654351810 /nfs/dbraw/zinc/35/18/10/654351810.db2.gz PKEBEZKLGJVGSR-UHFFFAOYSA-N 1 2 383.901 2.155 20 0 GEADLO O=C1CCCc2cc(Cl)c(S(=O)(=O)NCC[N@@H+]3CC=CCC3)cc2N1 ZINC000872482095 654351818 /nfs/dbraw/zinc/35/18/18/654351818.db2.gz PKEBEZKLGJVGSR-UHFFFAOYSA-N 1 2 383.901 2.155 20 0 GEADLO CCN1C[C@H]([NH2+]Cc2nc(Br)c(Br)n2CC)CC1=O ZINC000922159242 654372202 /nfs/dbraw/zinc/37/22/02/654372202.db2.gz MGXWZKDXZIPARQ-MRVPVSSYSA-N 1 2 394.111 2.138 20 0 GEADLO Cc1ncc(I)c(N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000892961230 654372804 /nfs/dbraw/zinc/37/28/04/654372804.db2.gz BPKLJKORLUMKIH-LLVKDONJSA-N 1 2 381.221 2.475 20 0 GEADLO C[C@@]1([C@@H]2CCC[N@H+](Cn3nc(N4CCCC4)sc3=S)C2)COC(=O)N1 ZINC000905707557 654376243 /nfs/dbraw/zinc/37/62/43/654376243.db2.gz JWISYZGWOZDYLM-WBMJQRKESA-N 1 2 383.543 2.442 20 0 GEADLO C[C@@]1([C@@H]2CCC[N@@H+](Cn3nc(N4CCCC4)sc3=S)C2)COC(=O)N1 ZINC000905707557 654376249 /nfs/dbraw/zinc/37/62/49/654376249.db2.gz JWISYZGWOZDYLM-WBMJQRKESA-N 1 2 383.543 2.442 20 0 GEADLO Cn1nnnc1C1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000872787991 654395684 /nfs/dbraw/zinc/39/56/84/654395684.db2.gz LWRPHKGAGQGGKM-UHFFFAOYSA-N 1 2 376.262 2.159 20 0 GEADLO CCCOc1c(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cccc1OCC ZINC000922494155 654397686 /nfs/dbraw/zinc/39/76/86/654397686.db2.gz VFQOTKUYGKVYCR-UHFFFAOYSA-N 1 2 392.543 2.021 20 0 GEADLO O=C(CNC(=O)C[NH2+]Cc1ccsc1Br)NCc1ccccc1 ZINC000922766027 654412216 /nfs/dbraw/zinc/41/22/16/654412216.db2.gz JTFKMKQKVGJOCB-UHFFFAOYSA-N 1 2 396.310 2.033 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000855406274 654417100 /nfs/dbraw/zinc/41/71/00/654417100.db2.gz COSBUPRHGLEPFJ-NEPJUHHUSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000855406274 654417102 /nfs/dbraw/zinc/41/71/02/654417102.db2.gz COSBUPRHGLEPFJ-NEPJUHHUSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C)CC2(Br)Br)[C@H](C)CO1 ZINC000855407511 654417107 /nfs/dbraw/zinc/41/71/07/654417107.db2.gz MIZBHMPTVQDVPX-CKYFFXLPSA-N 1 2 398.139 2.108 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C)CC2(Br)Br)[C@H](C)CO1 ZINC000855407511 654417117 /nfs/dbraw/zinc/41/71/17/654417117.db2.gz MIZBHMPTVQDVPX-CKYFFXLPSA-N 1 2 398.139 2.108 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cnc2Cl)[C@@H](C)CO1 ZINC000855411917 654417724 /nfs/dbraw/zinc/41/77/24/654417724.db2.gz QXBYCNSVUANPCP-VHSXEESVSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cnc2Cl)[C@@H](C)CO1 ZINC000855411917 654417728 /nfs/dbraw/zinc/41/77/28/654417728.db2.gz QXBYCNSVUANPCP-VHSXEESVSA-N 1 2 376.682 2.337 20 0 GEADLO Cn1ccc(-n2cc(C[NH2+][C@H]3CCOc4c(Br)cccc43)nn2)n1 ZINC000906301089 654426412 /nfs/dbraw/zinc/42/64/12/654426412.db2.gz SEJADZGBASMKPU-AWEZNQCLSA-N 1 2 389.257 2.377 20 0 GEADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1nscc1I ZINC000906404983 654434723 /nfs/dbraw/zinc/43/47/23/654434723.db2.gz PRCDPXCRVSBIHF-UHFFFAOYSA-N 1 2 399.257 2.493 20 0 GEADLO Cn1nccc1[C@@H]1CCC[N@H+](Cc2c(I)cnn2C)C1 ZINC000893969569 654435276 /nfs/dbraw/zinc/43/52/76/654435276.db2.gz VWCFTZHOIOFZSF-LLVKDONJSA-N 1 2 385.253 2.138 20 0 GEADLO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2c(I)cnn2C)C1 ZINC000893969569 654435281 /nfs/dbraw/zinc/43/52/81/654435281.db2.gz VWCFTZHOIOFZSF-LLVKDONJSA-N 1 2 385.253 2.138 20 0 GEADLO Cc1cc(S(=O)(=O)N2CCN(Cc3c(C)cc[nH+]c3N)CC2)c(C)s1 ZINC000893978941 654435716 /nfs/dbraw/zinc/43/57/16/654435716.db2.gz ZBFKEVVCFBFUEE-UHFFFAOYSA-N 1 2 380.539 2.157 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1c2c(nn1C)CCSC2 ZINC000893978022 654435738 /nfs/dbraw/zinc/43/57/38/654435738.db2.gz MZPLWVBJCMGHSJ-GFCCVEGCSA-N 1 2 380.539 2.050 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1c2c(nn1C)CCSC2 ZINC000893978022 654435745 /nfs/dbraw/zinc/43/57/45/654435745.db2.gz MZPLWVBJCMGHSJ-GFCCVEGCSA-N 1 2 380.539 2.050 20 0 GEADLO CCc1ccc(Br)c(NC(=O)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000873649252 654444254 /nfs/dbraw/zinc/44/42/54/654444254.db2.gz BQVLDABMKRZBBM-UHFFFAOYSA-N 1 2 379.258 2.353 20 0 GEADLO O=C(c1nscc1I)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000906543624 654447455 /nfs/dbraw/zinc/44/74/55/654447455.db2.gz WXZRJCCVFCBPKY-MRVPVSSYSA-N 1 2 388.234 2.491 20 0 GEADLO CCCOc1ccc(C[NH2+]Cc2cn(C)nc2I)cn1 ZINC000894185485 654453773 /nfs/dbraw/zinc/45/37/73/654453773.db2.gz AFLJVWSTDOKCJB-UHFFFAOYSA-N 1 2 386.237 2.498 20 0 GEADLO CN(C)C[C@H](Cc1ccccc1)[NH2+]Cc1c(I)cnn1C ZINC000894200693 654455279 /nfs/dbraw/zinc/45/52/79/654455279.db2.gz UHJBMLBXKYDSQZ-AWEZNQCLSA-N 1 2 398.292 2.287 20 0 GEADLO C[C@H]([NH2+]Cc1nc(Br)nn1C)c1ccc(N2CCOC2=O)cc1 ZINC000894205375 654455585 /nfs/dbraw/zinc/45/55/85/654455585.db2.gz XZIPERWZDJJILQ-JTQLQIEISA-N 1 2 380.246 2.385 20 0 GEADLO C[C@H](CNC(=O)c1nscc1I)Cn1cc[nH+]c1 ZINC000906766598 654470236 /nfs/dbraw/zinc/47/02/36/654470236.db2.gz PJBLYQWVCWGCQG-MRVPVSSYSA-N 1 2 376.223 2.010 20 0 GEADLO CCOC(=O)c1nn(C)cc1C[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000894374452 654470912 /nfs/dbraw/zinc/47/09/12/654470912.db2.gz CSPFTLXJQSYSSG-UHFFFAOYSA-N 1 2 395.257 2.088 20 0 GEADLO O=C(Nc1nncs1)C1CC[NH+](Cc2ncc(Br)cc2O)CC1 ZINC000894454614 654477247 /nfs/dbraw/zinc/47/72/47/654477247.db2.gz XAFHNIIEDXKAOX-UHFFFAOYSA-N 1 2 398.286 2.252 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)oc1Cl ZINC000906832136 654477400 /nfs/dbraw/zinc/47/74/00/654477400.db2.gz HKCNNZDZWMLMLU-LLVKDONJSA-N 1 2 392.886 2.362 20 0 GEADLO Cc1cc(COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cnc1Br ZINC000923773656 654483481 /nfs/dbraw/zinc/48/34/81/654483481.db2.gz LCEBLMUJZZKNLK-CABCVRRESA-N 1 2 399.285 2.076 20 0 GEADLO Cn1cc(C[NH2+][C@]2(CO)CCCc3ccccc32)c(I)n1 ZINC000894660814 654492811 /nfs/dbraw/zinc/49/28/11/654492811.db2.gz SUKOXNOKGVVPNU-INIZCTEOSA-N 1 2 397.260 2.338 20 0 GEADLO CCOC1CC(CNC(=O)NCC[C@@H]2CC2(Cl)Cl)([NH+]2CCOCC2)C1 ZINC000856850784 654497437 /nfs/dbraw/zinc/49/74/37/654497437.db2.gz AIHXDWXULGEBPK-VQCLRJIVSA-N 1 2 394.343 2.139 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000894862484 654502754 /nfs/dbraw/zinc/50/27/54/654502754.db2.gz AZNOTZJDNNCWAY-CQSZACIVSA-N 1 2 387.265 2.416 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000894862484 654502756 /nfs/dbraw/zinc/50/27/56/654502756.db2.gz AZNOTZJDNNCWAY-CQSZACIVSA-N 1 2 387.265 2.416 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)oc1Cl ZINC000907041569 654502817 /nfs/dbraw/zinc/50/28/17/654502817.db2.gz GFYPBQOFMNNMGK-PWSUYJOCSA-N 1 2 387.845 2.188 20 0 GEADLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1c[nH]c2ncc(Cl)cc12 ZINC000907064862 654505911 /nfs/dbraw/zinc/50/59/11/654505911.db2.gz JURQNOFJCBXNGH-GFCCVEGCSA-N 1 2 377.857 2.169 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 ZINC000907072579 654507382 /nfs/dbraw/zinc/50/73/82/654507382.db2.gz GKDITTNWMQMTEK-CQSZACIVSA-N 1 2 382.917 2.175 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2nscc2I)C1 ZINC000907133980 654513211 /nfs/dbraw/zinc/51/32/11/654513211.db2.gz VKNYZJDIJJYZBB-MRVPVSSYSA-N 1 2 388.234 2.111 20 0 GEADLO Cn1cc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c(Br)n1 ZINC000924566398 654519768 /nfs/dbraw/zinc/51/97/68/654519768.db2.gz XNVDJAGFJOBATG-UHFFFAOYSA-N 1 2 393.289 2.364 20 0 GEADLO Cc1csc(N2CCN(C(=O)NCc3nc(C[NH+](C)C)cs3)CC2)n1 ZINC000924766856 654524274 /nfs/dbraw/zinc/52/42/74/654524274.db2.gz RSORSDDPGRPCKO-UHFFFAOYSA-N 1 2 380.543 2.001 20 0 GEADLO C[C@@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)c1ncco1 ZINC000924917897 654529147 /nfs/dbraw/zinc/52/91/47/654529147.db2.gz BLVUMUFVXHAROW-PWSUYJOCSA-N 1 2 388.205 2.370 20 0 GEADLO CC(C)n1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)nn1 ZINC000926358002 654569348 /nfs/dbraw/zinc/56/93/48/654569348.db2.gz ULNBZASZMTYOCI-NSHDSACASA-N 1 2 389.884 2.281 20 0 GEADLO C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)c2ncnn21 ZINC000926377623 654569856 /nfs/dbraw/zinc/56/98/56/654569856.db2.gz JWTVXPNWTIWZFQ-SKDRFNHKSA-N 1 2 397.220 2.117 20 0 GEADLO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1nc(Br)ccc1F ZINC000926529748 654573587 /nfs/dbraw/zinc/57/35/87/654573587.db2.gz XSIRYMZBLZCDQS-SNVBAGLBSA-N 1 2 395.294 2.228 20 0 GEADLO CO[C@H](C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000907835929 654582507 /nfs/dbraw/zinc/58/25/07/654582507.db2.gz LBVQLPKJKUOXRC-RISCZKNCSA-N 1 2 391.331 2.377 20 0 GEADLO Cc1ccc([C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c2cccnc2)cc1 ZINC000926884893 654584372 /nfs/dbraw/zinc/58/43/72/654584372.db2.gz LSFNOOGRDPKXMS-QGZVFWFLSA-N 1 2 381.523 2.126 20 0 GEADLO CS(=O)(=O)C[C@@H](O)C[NH2+][C@@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000927029651 654590239 /nfs/dbraw/zinc/59/02/39/654590239.db2.gz UUDBHUIZHFVRCT-BBRMVZONSA-N 1 2 389.304 2.473 20 0 GEADLO O=C(NCC1(n2cc(Br)cn2)CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000927103579 654591934 /nfs/dbraw/zinc/59/19/34/654591934.db2.gz RAJDRAZQKIVJHT-AWEZNQCLSA-N 1 2 393.289 2.378 20 0 GEADLO O=C(NCC1(n2cc(Br)cn2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000927103868 654592074 /nfs/dbraw/zinc/59/20/74/654592074.db2.gz UKKVYTOZDXBPPQ-LBPRGKRZSA-N 1 2 393.289 2.447 20 0 GEADLO O=C(NCC1(n2cc(Br)cn2)CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000927115363 654594592 /nfs/dbraw/zinc/59/45/92/654594592.db2.gz KYZNMXZUCVMTPV-CQSZACIVSA-N 1 2 393.289 2.205 20 0 GEADLO Cc1c(Br)c[nH]c(=O)c1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927763893 654612614 /nfs/dbraw/zinc/61/26/14/654612614.db2.gz NNFNXLMYPIFKPF-UHFFFAOYSA-N 1 2 385.287 2.306 20 0 GEADLO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C(=O)c1ccc(Br)s1 ZINC000928079302 654629074 /nfs/dbraw/zinc/62/90/74/654629074.db2.gz MEOLXVCCXRXCQA-VHSXEESVSA-N 1 2 389.340 2.389 20 0 GEADLO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)C(=O)c1ccc(Br)s1 ZINC000928079302 654629078 /nfs/dbraw/zinc/62/90/78/654629078.db2.gz MEOLXVCCXRXCQA-VHSXEESVSA-N 1 2 389.340 2.389 20 0 GEADLO CCOC(=O)[C@H](CSC)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000928290820 654639295 /nfs/dbraw/zinc/63/92/95/654639295.db2.gz OROJZESKGRUKQX-AWEZNQCLSA-N 1 2 381.523 2.287 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)C[C@H](C)[N@H+]1CCO ZINC000909030325 654650676 /nfs/dbraw/zinc/65/06/76/654650676.db2.gz HJWMHIRDXNALOX-BETUJISGSA-N 1 2 382.917 2.173 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)C[C@H](C)[N@@H+]1CCO ZINC000909030325 654650680 /nfs/dbraw/zinc/65/06/80/654650680.db2.gz HJWMHIRDXNALOX-BETUJISGSA-N 1 2 382.917 2.173 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](OC)c1ccc(Br)s1 ZINC000928635686 654653679 /nfs/dbraw/zinc/65/36/79/654653679.db2.gz NPWNGJQQILBBTJ-BXUZGUMPSA-N 1 2 391.331 2.425 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1c2ccc(Br)cc2nn1C ZINC000928648017 654654008 /nfs/dbraw/zinc/65/40/08/654654008.db2.gz SUDXYSGDJGBBOH-ZDUSSCGKSA-N 1 2 395.301 2.176 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000928651248 654654411 /nfs/dbraw/zinc/65/44/11/654654411.db2.gz PABBRWNQTKVGQY-LBPRGKRZSA-N 1 2 392.244 2.366 20 0 GEADLO c1csc(-c2noc(CCC[NH+]3CCN(Cc4nncs4)CC3)n2)c1 ZINC000929101035 654671860 /nfs/dbraw/zinc/67/18/60/654671860.db2.gz YXQDIDAATARADP-UHFFFAOYSA-N 1 2 376.511 2.400 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000909705035 654672458 /nfs/dbraw/zinc/67/24/58/654672458.db2.gz SAZDWYNSZSFVGL-YPMHNXCESA-N 1 2 397.269 2.139 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000929297978 654678330 /nfs/dbraw/zinc/67/83/30/654678330.db2.gz YYTMXFGGHNARSP-WBVHZDCISA-N 1 2 397.313 2.287 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000929365057 654681438 /nfs/dbraw/zinc/68/14/38/654681438.db2.gz VNAJZAIFEWFEST-CYBMUJFWSA-N 1 2 397.317 2.299 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(=O)[nH]cc1Br ZINC000929673112 654689951 /nfs/dbraw/zinc/68/99/51/654689951.db2.gz SDTQVPFODYDOTR-UHFFFAOYSA-N 1 2 377.242 2.475 20 0 GEADLO CCNc1cc(CNC(=O)Nc2cc(Br)cn(C)c2=O)cc[nH+]1 ZINC000930293325 654704349 /nfs/dbraw/zinc/70/43/49/654704349.db2.gz UGOGKFSFONLQKN-UHFFFAOYSA-N 1 2 380.246 2.296 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)[C@@H](C)C[N@@H+]1CCO ZINC000910924189 654714201 /nfs/dbraw/zinc/71/42/01/654714201.db2.gz BHPNLTHCOLVNBP-OLZOCXBDSA-N 1 2 382.917 2.173 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)[C@@H](C)C[N@H+]1CCO ZINC000910924189 654714204 /nfs/dbraw/zinc/71/42/04/654714204.db2.gz BHPNLTHCOLVNBP-OLZOCXBDSA-N 1 2 382.917 2.173 20 0 GEADLO CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2c(Br)cnn2C)C1 ZINC000931012428 654726295 /nfs/dbraw/zinc/72/62/95/654726295.db2.gz IAVYPRYHDQRRDC-SNVBAGLBSA-N 1 2 382.262 2.072 20 0 GEADLO CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2c(Br)cnn2C)C1 ZINC000931012428 654726297 /nfs/dbraw/zinc/72/62/97/654726297.db2.gz IAVYPRYHDQRRDC-SNVBAGLBSA-N 1 2 382.262 2.072 20 0 GEADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000911593562 654727313 /nfs/dbraw/zinc/72/73/13/654727313.db2.gz ICPBAPOOJBPVJB-BONVTDFDSA-N 1 2 397.298 2.361 20 0 GEADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000911593562 654727319 /nfs/dbraw/zinc/72/73/19/654727319.db2.gz ICPBAPOOJBPVJB-BONVTDFDSA-N 1 2 397.298 2.361 20 0 GEADLO CC1(C)[C@H](NC(=O)c2cc(Br)cc(C=O)c2)C[C@H]1[NH+]1CCOCC1 ZINC000911841187 654733705 /nfs/dbraw/zinc/73/37/05/654733705.db2.gz ABXJAMALVMSNCB-HZPDHXFCSA-N 1 2 395.297 2.491 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(=O)n(C)cc2Br)c1C ZINC000931217068 654734292 /nfs/dbraw/zinc/73/42/92/654734292.db2.gz ZWJQOOKFHIDSOD-UHFFFAOYSA-N 1 2 380.242 2.098 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)NCCN=S3(=O)CCCC3)cn2c1 ZINC000912037227 654740423 /nfs/dbraw/zinc/74/04/23/654740423.db2.gz LUOXLYFVKSDSSQ-UHFFFAOYSA-N 1 2 380.539 2.254 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc3ccc(Br)cc3c(=O)o2)CCO1 ZINC000931401518 654741037 /nfs/dbraw/zinc/74/10/37/654741037.db2.gz LJHZWYSLOSWKQJ-NSHDSACASA-N 1 2 395.253 2.006 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc3ccc(Br)cc3c(=O)o2)CCO1 ZINC000931401518 654741040 /nfs/dbraw/zinc/74/10/40/654741040.db2.gz LJHZWYSLOSWKQJ-NSHDSACASA-N 1 2 395.253 2.006 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)c(CO)c2)C1 ZINC000912167348 654744349 /nfs/dbraw/zinc/74/43/49/654744349.db2.gz LFXDFTJNRVTJOF-GFCCVEGCSA-N 1 2 399.285 2.155 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)c(CO)c2)C1 ZINC000912167348 654744353 /nfs/dbraw/zinc/74/43/53/654744353.db2.gz LFXDFTJNRVTJOF-GFCCVEGCSA-N 1 2 399.285 2.155 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000931505782 654744680 /nfs/dbraw/zinc/74/46/80/654744680.db2.gz RFTFCHBVLGPAOL-OSMZGAPFSA-N 1 2 375.254 2.150 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000931505782 654744677 /nfs/dbraw/zinc/74/46/77/654744677.db2.gz RFTFCHBVLGPAOL-OSMZGAPFSA-N 1 2 375.254 2.150 20 0 GEADLO CCOC(=O)c1sc(C2CC[NH+](C[C@H]3CCCS3(=O)=O)CC2)nc1C ZINC000931560149 654747004 /nfs/dbraw/zinc/74/70/04/654747004.db2.gz OLXPTOFCKSTNEE-CQSZACIVSA-N 1 2 386.539 2.385 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)Nc2nnc(C3CCOCC3)s2)n1 ZINC000931569316 654747060 /nfs/dbraw/zinc/74/70/60/654747060.db2.gz VLTIXXGHXXJUKC-UHFFFAOYSA-N 1 2 382.515 2.272 20 0 GEADLO Cc1csc([C@@H](NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C(F)(F)F)n1 ZINC000931580161 654747662 /nfs/dbraw/zinc/74/76/62/654747662.db2.gz ZIXWJPRNVRWKIA-NWDGAFQWSA-N 1 2 380.436 2.417 20 0 GEADLO COC1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1O ZINC000931635362 654749945 /nfs/dbraw/zinc/74/99/45/654749945.db2.gz FKGWLRIFGYJRNW-YGRLFVJLSA-N 1 2 377.268 2.376 20 0 GEADLO COC1(OC)CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1O ZINC000931635362 654749948 /nfs/dbraw/zinc/74/99/48/654749948.db2.gz FKGWLRIFGYJRNW-YGRLFVJLSA-N 1 2 377.268 2.376 20 0 GEADLO COC1(OC)CCOC[C@@H]1[NH2+]CC(=O)Nc1ccccc1SC(F)F ZINC000931668551 654752201 /nfs/dbraw/zinc/75/22/01/654752201.db2.gz XRXWKPJYUXVKDO-ZDUSSCGKSA-N 1 2 376.425 2.307 20 0 GEADLO COC(=O)C[C@H](NC(=O)C[C@H]([NH3+])C(F)F)c1ccc(Br)cc1 ZINC000912455698 654754647 /nfs/dbraw/zinc/75/46/47/654754647.db2.gz XPBZYQILONAGEV-QWRGUYRKSA-N 1 2 379.201 2.152 20 0 GEADLO O=C1C[C@@H](C[N@@H+]2CCc3nc[nH]c3[C@H]2c2ccc(Br)cc2)CN1 ZINC000931798358 654757497 /nfs/dbraw/zinc/75/74/97/654757497.db2.gz JQBVRBYVIXRYSH-PIGZYNQJSA-N 1 2 375.270 2.256 20 0 GEADLO O=C1C[C@@H](C[N@H+]2CCc3nc[nH]c3[C@H]2c2ccc(Br)cc2)CN1 ZINC000931798358 654757498 /nfs/dbraw/zinc/75/74/98/654757498.db2.gz JQBVRBYVIXRYSH-PIGZYNQJSA-N 1 2 375.270 2.256 20 0 GEADLO O=C(c1cc(Br)cn2ncnc12)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000931886449 654760882 /nfs/dbraw/zinc/76/08/82/654760882.db2.gz LEAWSHZJLBWXLE-LBPRGKRZSA-N 1 2 375.230 2.166 20 0 GEADLO CC(C)(CNC(=O)c1cc(Br)cn(C2CC2)c1=O)n1cc[nH+]c1 ZINC000912615052 654760968 /nfs/dbraw/zinc/76/09/68/654760968.db2.gz UFZYRBVJNBIMII-UHFFFAOYSA-N 1 2 379.258 2.307 20 0 GEADLO C[C@]1([C@@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932020776 654764560 /nfs/dbraw/zinc/76/45/60/654764560.db2.gz LFFWLROOOODYOE-HACGYAERSA-N 1 2 396.285 2.186 20 0 GEADLO C[C@]1([C@@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932020776 654764562 /nfs/dbraw/zinc/76/45/62/654764562.db2.gz LFFWLROOOODYOE-HACGYAERSA-N 1 2 396.285 2.186 20 0 GEADLO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(COC)o1 ZINC000932326603 654775510 /nfs/dbraw/zinc/77/55/10/654775510.db2.gz RXUTUSQGKKGAIM-HOCLYGCPSA-N 1 2 377.374 2.384 20 0 GEADLO CCOP(=O)(OCC)[C@H](O)C[N@H+]1CCOC[C@H]1c1ccc(COC)o1 ZINC000932326603 654775512 /nfs/dbraw/zinc/77/55/12/654775512.db2.gz RXUTUSQGKKGAIM-HOCLYGCPSA-N 1 2 377.374 2.384 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCc3cc(Br)c(F)cc3C2)C1 ZINC000932789745 654790712 /nfs/dbraw/zinc/79/07/12/654790712.db2.gz GHCJGKPJUZXNOP-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCc3cc(Br)c(F)cc3C2)C1 ZINC000932789745 654790714 /nfs/dbraw/zinc/79/07/14/654790714.db2.gz GHCJGKPJUZXNOP-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO C/C(=C\C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)C[NH+]1CCOCC1 ZINC000913423486 654791096 /nfs/dbraw/zinc/79/10/96/654791096.db2.gz IYLYZDGEEZUOKH-SOFGYWHQSA-N 1 2 386.346 2.409 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c1 ZINC000932823993 654792403 /nfs/dbraw/zinc/79/24/03/654792403.db2.gz WAZSLZNGZKNPRJ-UHFFFAOYSA-N 1 2 380.432 2.074 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913447676 654792497 /nfs/dbraw/zinc/79/24/97/654792497.db2.gz SGWMRTBBTDQRLY-IAQYHMDHSA-N 1 2 379.258 2.113 20 0 GEADLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)cc1I ZINC000913446866 654792571 /nfs/dbraw/zinc/79/25/71/654792571.db2.gz FRSNRUIQMQKTLE-AWEZNQCLSA-N 1 2 396.232 2.109 20 0 GEADLO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913452857 654792888 /nfs/dbraw/zinc/79/28/88/654792888.db2.gz HDLRLRKMNBPNEY-XHSDSOJGSA-N 1 2 375.270 2.449 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913456500 654793122 /nfs/dbraw/zinc/79/31/22/654793122.db2.gz KNHSPXOBDKIJOS-ZDUSSCGKSA-N 1 2 397.248 2.117 20 0 GEADLO CO[C@@H](C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1)c1ccccc1Br ZINC000913455715 654793178 /nfs/dbraw/zinc/79/31/78/654793178.db2.gz CKHNHWYNOUEQRW-HZPDHXFCSA-N 1 2 393.285 2.043 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913458217 654793319 /nfs/dbraw/zinc/79/33/19/654793319.db2.gz JVVGTRQOETWYBP-LBPRGKRZSA-N 1 2 383.221 2.107 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CC[NH2+]2)cn1 ZINC000913460042 654793614 /nfs/dbraw/zinc/79/36/14/654793614.db2.gz KTRQIQOFLHCOIW-BBWFWOEESA-N 1 2 389.297 2.459 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3cn4cc(Cl)cc(Cl)c4n3)CC[NH2+]2)cn1 ZINC000913461329 654793781 /nfs/dbraw/zinc/79/37/81/654793781.db2.gz RJYBKTNONBRPEJ-ZDUSSCGKSA-N 1 2 379.251 2.161 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)CSc3cccc(Br)c3)CC[NH2+]2)cn1 ZINC000913463324 654794073 /nfs/dbraw/zinc/79/40/73/654794073.db2.gz DMSMJHRFQFPGSU-OAHLLOKOSA-N 1 2 395.326 2.448 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)Cc3cc(F)ccc3Br)CC[NH2+]2)cn1 ZINC000913469117 654794364 /nfs/dbraw/zinc/79/43/64/654794364.db2.gz VWZGZZFZDKMICV-OAHLLOKOSA-N 1 2 381.249 2.037 20 0 GEADLO Cc1ccc(F)c(Br)c1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913475157 654794557 /nfs/dbraw/zinc/79/45/57/654794557.db2.gz RYBFLQKFDBDBSL-ZDUSSCGKSA-N 1 2 381.249 2.417 20 0 GEADLO Cc1cc(OCC(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)ccc1Br ZINC000913475363 654794569 /nfs/dbraw/zinc/79/45/69/654794569.db2.gz LKHZCNUDSCZYNN-INIZCTEOSA-N 1 2 393.285 2.043 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1C2CCC1(C(N)=O)CC2)c1ccc(Br)cc1 ZINC000932932854 654794819 /nfs/dbraw/zinc/79/48/19/654794819.db2.gz NZSPNVMGVXGBJX-ACCOQDJYSA-N 1 2 380.286 2.109 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1C2CCC1(C(N)=O)CC2)c1ccc(Br)cc1 ZINC000932932854 654794823 /nfs/dbraw/zinc/79/48/23/654794823.db2.gz NZSPNVMGVXGBJX-ACCOQDJYSA-N 1 2 380.286 2.109 20 0 GEADLO Cc1cc(Br)c(CC(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)s1 ZINC000913476519 654794887 /nfs/dbraw/zinc/79/48/87/654794887.db2.gz ZAYVYDKJWFRTIJ-CYBMUJFWSA-N 1 2 383.315 2.268 20 0 GEADLO Cc1ccc(OCc2nc(C[N@@H+]3CC[C@@H](CS(N)(=O)=O)C3)cs2)cc1 ZINC000932953975 654797358 /nfs/dbraw/zinc/79/73/58/654797358.db2.gz FUBMGRRWEFJWLE-CQSZACIVSA-N 1 2 381.523 2.141 20 0 GEADLO Cc1ccc(OCc2nc(C[N@H+]3CC[C@@H](CS(N)(=O)=O)C3)cs2)cc1 ZINC000932953975 654797361 /nfs/dbraw/zinc/79/73/61/654797361.db2.gz FUBMGRRWEFJWLE-CQSZACIVSA-N 1 2 381.523 2.141 20 0 GEADLO Cc1csc(SCc2ccc(C(=O)N3CC[N@@H+](C)[C@H](CO)C3)cc2)n1 ZINC000913556768 654797699 /nfs/dbraw/zinc/79/76/99/654797699.db2.gz JUFNUDNEWCOBFF-INIZCTEOSA-N 1 2 377.535 2.492 20 0 GEADLO Cc1csc(SCc2ccc(C(=O)N3CC[N@H+](C)[C@H](CO)C3)cc2)n1 ZINC000913556768 654797704 /nfs/dbraw/zinc/79/77/04/654797704.db2.gz JUFNUDNEWCOBFF-INIZCTEOSA-N 1 2 377.535 2.492 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](CCCS(=O)(=O)C(C)(C)C)[C@@H]([C@H]2CCCO2)C1 ZINC000933187991 654804385 /nfs/dbraw/zinc/80/43/85/654804385.db2.gz JDUPQCWWQCCIBD-BZUAXINKSA-N 1 2 375.531 2.022 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)[C@@H]([C@H]2CCCO2)C1 ZINC000933187991 654804387 /nfs/dbraw/zinc/80/43/87/654804387.db2.gz JDUPQCWWQCCIBD-BZUAXINKSA-N 1 2 375.531 2.022 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000913899766 654814557 /nfs/dbraw/zinc/81/45/57/654814557.db2.gz HJCDFSIYWMPHLT-QGZVFWFLSA-N 1 2 393.285 2.339 20 0 GEADLO COc1ncc(Br)cc1C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000933579513 654817442 /nfs/dbraw/zinc/81/74/42/654817442.db2.gz BSHOLORCYHPVIV-UHFFFAOYSA-N 1 2 383.290 2.090 20 0 GEADLO O=C(C[NH+]1CCC(N2CCCOC2=O)CC1)Nc1ccc(Br)cn1 ZINC000933619795 654818099 /nfs/dbraw/zinc/81/80/99/654818099.db2.gz WNXLXQJSFTVHBR-UHFFFAOYSA-N 1 2 397.273 2.089 20 0 GEADLO COc1cc(Br)cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000933659702 654819456 /nfs/dbraw/zinc/81/94/56/654819456.db2.gz LKCPEXCCFYANSL-OAHLLOKOSA-N 1 2 383.286 2.395 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccc(Br)c(F)c2F)C[C@H]1CS(N)(=O)=O ZINC000933697982 654820609 /nfs/dbraw/zinc/82/06/09/654820609.db2.gz NRILXIFKOXHNME-SCZZXKLOSA-N 1 2 383.258 2.084 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccc(Br)c(F)c2F)C[C@H]1CS(N)(=O)=O ZINC000933697982 654820611 /nfs/dbraw/zinc/82/06/11/654820611.db2.gz NRILXIFKOXHNME-SCZZXKLOSA-N 1 2 383.258 2.084 20 0 GEADLO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1S(=O)(=O)CCCC(C)(F)F ZINC000914132459 654828810 /nfs/dbraw/zinc/82/88/10/654828810.db2.gz NUGALVMZBKXIQP-OAHLLOKOSA-N 1 2 378.489 2.045 20 0 GEADLO CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1S(=O)(=O)CCCC(C)(F)F ZINC000914132459 654828812 /nfs/dbraw/zinc/82/88/12/654828812.db2.gz NUGALVMZBKXIQP-OAHLLOKOSA-N 1 2 378.489 2.045 20 0 GEADLO O=C(N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000914170607 654831327 /nfs/dbraw/zinc/83/13/27/654831327.db2.gz PFXYGFPHBCWUDD-DWQUBVKVSA-N 1 2 390.281 2.374 20 0 GEADLO COc1cc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)ccc1Br ZINC000933994313 654833686 /nfs/dbraw/zinc/83/36/86/654833686.db2.gz NMZFTWXXIZBOHC-HIFRSBDPSA-N 1 2 399.285 2.276 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)c1ccc(S(C)(=O)=O)nc1)c1ccc(Cl)cc1 ZINC000933996154 654833723 /nfs/dbraw/zinc/83/37/23/654833723.db2.gz QNNBMVZMOPDGPM-OAHLLOKOSA-N 1 2 381.885 2.171 20 0 GEADLO COC1CC[NH+](CCNS(=O)(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000914231253 654837041 /nfs/dbraw/zinc/83/70/41/654837041.db2.gz CVZJPAHTDCGQED-UHFFFAOYSA-N 1 2 381.523 2.199 20 0 GEADLO O=C(c1cc(=O)[nH]cc1Br)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000934215770 654838876 /nfs/dbraw/zinc/83/88/76/654838876.db2.gz USQZGMYPBMPQIE-UHFFFAOYSA-N 1 2 392.253 2.213 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C/C=C/c1ccc(Br)cc1 ZINC000934323492 654844189 /nfs/dbraw/zinc/84/41/89/654844189.db2.gz ZOMMEYUOERCVMZ-RCAFFNEUSA-N 1 2 397.313 2.004 20 0 GEADLO Cc1cc(Br)cn2cc(CCNS(=O)(=O)CC3(F)CC3)[nH+]c12 ZINC000914365521 654848539 /nfs/dbraw/zinc/84/85/39/654848539.db2.gz VQUZJOZBWIVKII-UHFFFAOYSA-N 1 2 390.278 2.369 20 0 GEADLO O=S(=O)(Cc1ccsc1Br)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000914403789 654851859 /nfs/dbraw/zinc/85/18/59/654851859.db2.gz KRPFGARXJHZZGG-JTQLQIEISA-N 1 2 390.328 2.389 20 0 GEADLO C[C@@H]1CCN(C(=O)C2(n3cc(Br)cn3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000934655893 654854946 /nfs/dbraw/zinc/85/49/46/654854946.db2.gz YSQHTGSJWHRXRR-OCCSQVGLSA-N 1 2 378.274 2.441 20 0 GEADLO CC[C@](O)(C[N@@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O)C(F)(F)F ZINC000934780882 654859309 /nfs/dbraw/zinc/85/93/09/654859309.db2.gz JMJUDPGEFOQEFD-MXWKQRLJSA-N 1 2 383.354 2.131 20 0 GEADLO CC[C@](O)(C[N@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O)C(F)(F)F ZINC000934780882 654859313 /nfs/dbraw/zinc/85/93/13/654859313.db2.gz JMJUDPGEFOQEFD-MXWKQRLJSA-N 1 2 383.354 2.131 20 0 GEADLO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H](CO)c1ccccc1I ZINC000934829338 654862912 /nfs/dbraw/zinc/86/29/12/654862912.db2.gz MQCRZANZHLCDJD-BXUZGUMPSA-N 1 2 390.265 2.075 20 0 GEADLO CCC(C)(C)NC(=O)C[NH2+][C@@H](CO)c1ccccc1I ZINC000934830362 654863092 /nfs/dbraw/zinc/86/30/92/654863092.db2.gz SAZGHFHSUQMXDJ-ZDUSSCGKSA-N 1 2 390.265 2.219 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2(n3cc(Br)cn3)CC2)C1 ZINC000935682667 654910591 /nfs/dbraw/zinc/91/05/91/654910591.db2.gz FVUSHTRNNYKHCN-GFCCVEGCSA-N 1 2 378.274 2.274 20 0 GEADLO Cc1cc(C(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)oc1Br ZINC000935912595 654926610 /nfs/dbraw/zinc/92/66/10/654926610.db2.gz VZFZACDMUIYFRJ-NSHDSACASA-N 1 2 382.258 2.135 20 0 GEADLO Cc1cccc2c(C)cc(N3CCn4c(CN5CCOCC5)nnc4C3)[nH+]c12 ZINC001164676525 719570470 /nfs/dbraw/zinc/57/04/70/719570470.db2.gz GOQOUNWKGCPIGI-UHFFFAOYSA-N 1 2 378.480 2.296 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(C2CC2)n1 ZINC001164698096 719842975 /nfs/dbraw/zinc/84/29/75/719842975.db2.gz FHJUQOZENQVIJF-KUHUBIRLSA-N 1 2 394.903 2.240 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C2CC2)n1 ZINC001164703704 719856061 /nfs/dbraw/zinc/85/60/61/719856061.db2.gz QJQVORYJWGINFE-IFXJQAMLSA-N 1 2 394.903 2.240 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2cc(F)ccc2n1 ZINC001164702578 719862919 /nfs/dbraw/zinc/86/29/19/719862919.db2.gz NZETTZXYXXPLRJ-UZLBHIALSA-N 1 2 388.443 2.002 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(SC)cc1C ZINC001164707823 719865581 /nfs/dbraw/zinc/86/55/81/719865581.db2.gz VSLKXHZEGOLXJD-BEFAXECRSA-N 1 2 379.526 2.345 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(SC)cc1C ZINC001164707824 719865591 /nfs/dbraw/zinc/86/55/91/719865591.db2.gz VSLKXHZEGOLXJD-DNVCBOLYSA-N 1 2 379.526 2.345 20 0 GEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(F)ccn4)CC3)C2=O)cs1 ZINC001164824856 720358385 /nfs/dbraw/zinc/35/83/85/720358385.db2.gz OTZTXEZABDFMNI-UHFFFAOYSA-N 1 2 389.500 2.299 20 0 GEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(F)ccn4)CC3)C2=O)cs1 ZINC001164824856 720358397 /nfs/dbraw/zinc/35/83/97/720358397.db2.gz OTZTXEZABDFMNI-UHFFFAOYSA-N 1 2 389.500 2.299 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)NC(C)(C)C)cn1)C2 ZINC001165011257 721704613 /nfs/dbraw/zinc/70/46/13/721704613.db2.gz PHVNNSLRQHHZOA-UHFFFAOYSA-N 1 2 399.543 2.452 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)NC(C)(C)C)cn1)C2 ZINC001165011257 721704619 /nfs/dbraw/zinc/70/46/19/721704619.db2.gz PHVNNSLRQHHZOA-UHFFFAOYSA-N 1 2 399.543 2.452 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN([C@@H](F)Oc1cncc(Cl)n1)C2 ZINC001165010063 721719260 /nfs/dbraw/zinc/71/92/60/721719260.db2.gz FXXNEUFBVMGLPT-MRXNPFEDSA-N 1 2 383.859 2.100 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN([C@@H](F)Oc1cncc(Cl)n1)C2 ZINC001165010063 721719264 /nfs/dbraw/zinc/71/92/64/721719264.db2.gz FXXNEUFBVMGLPT-MRXNPFEDSA-N 1 2 383.859 2.100 20 0 GEADLO CC(C)OC(=O)c1cccnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165012029 721720080 /nfs/dbraw/zinc/72/00/80/721720080.db2.gz ZCWPILJIWVXPON-UHFFFAOYSA-N 1 2 386.500 2.489 20 0 GEADLO CC(C)OC(=O)c1cccnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165012029 721720093 /nfs/dbraw/zinc/72/00/93/721720093.db2.gz ZCWPILJIWVXPON-UHFFFAOYSA-N 1 2 386.500 2.489 20 0 GEADLO Cc1nc(C(C)C)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912392 721769875 /nfs/dbraw/zinc/76/98/75/721769875.db2.gz LLVYEGVFAFKBRZ-JOCHJYFZSA-N 1 2 397.523 2.411 20 0 GEADLO Cc1nc(C(C)C)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912392 721769881 /nfs/dbraw/zinc/76/98/81/721769881.db2.gz LLVYEGVFAFKBRZ-JOCHJYFZSA-N 1 2 397.523 2.411 20 0 GEADLO CC(C)Oc1cccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915163 721785943 /nfs/dbraw/zinc/78/59/43/721785943.db2.gz JCQJADSNTWGYLS-QFIPXVFZSA-N 1 2 398.507 2.372 20 0 GEADLO CC(C)Oc1cccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915163 721785947 /nfs/dbraw/zinc/78/59/47/721785947.db2.gz JCQJADSNTWGYLS-QFIPXVFZSA-N 1 2 398.507 2.372 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C(N)=O)cc3ccccc32)CC1 ZINC001164919100 721819884 /nfs/dbraw/zinc/81/98/84/721819884.db2.gz LZSOUWYCHWSZTO-UHFFFAOYSA-N 1 2 390.491 2.280 20 0 GEADLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccccc1 ZINC000152087483 531529628 /nfs/dbraw/zinc/52/96/28/531529628.db2.gz QUUZIXKHQCLINV-BLLLJJGKSA-N 1 2 382.507 2.328 20 0 GEADLO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)CN2CC[NH2+]CC2=O)s1 ZINC000152262741 531541202 /nfs/dbraw/zinc/54/12/02/531541202.db2.gz BUSXOXMNPGSDMO-UHFFFAOYSA-N 1 2 378.885 2.066 20 0 GEADLO C[C@@H](Cc1ccccc1Br)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000152630467 531563180 /nfs/dbraw/zinc/56/31/80/531563180.db2.gz QBHINQZUGWENIV-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000152747555 531568701 /nfs/dbraw/zinc/56/87/01/531568701.db2.gz IGUBNUJYSOKAOQ-PBHICJAKSA-N 1 2 398.345 2.015 20 0 GEADLO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000152897528 531577666 /nfs/dbraw/zinc/57/76/66/531577666.db2.gz ZNPFFMCAILDNKX-OAGGEKHMSA-N 1 2 397.313 2.227 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000154794726 531633807 /nfs/dbraw/zinc/63/38/07/531633807.db2.gz MULCSPKGFINGDP-UHFFFAOYSA-N 1 2 393.285 2.314 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000030137167 531633811 /nfs/dbraw/zinc/63/38/11/531633811.db2.gz QNDRHRHXQFMAHX-UHFFFAOYSA-N 1 2 376.320 2.138 20 0 GEADLO O=C(CNC(=O)c1cccc(Cl)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000028316632 531631511 /nfs/dbraw/zinc/63/15/11/531631511.db2.gz XLRUYFPOGINKLU-UHFFFAOYSA-N 1 2 377.897 2.476 20 0 GEADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031942142 531646619 /nfs/dbraw/zinc/64/66/19/531646619.db2.gz BVYDAHQCGHMWQN-KDOFPFPSSA-N 1 2 384.929 2.431 20 0 GEADLO Cc1cc(Cl)ccc1OCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031941104 531647338 /nfs/dbraw/zinc/64/73/38/531647338.db2.gz SGYXXRHJBYFBJD-GOSISDBHSA-N 1 2 384.929 2.351 20 0 GEADLO O=C(c1cc(Br)sc1Br)N1CC[NH+](CCO)CC1 ZINC000154853322 531637959 /nfs/dbraw/zinc/63/79/59/531637959.db2.gz ZTXSCSHVUFBIMD-UHFFFAOYSA-N 1 2 398.120 2.023 20 0 GEADLO CC(C)OC(=O)CCC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000154909670 531641653 /nfs/dbraw/zinc/64/16/53/531641653.db2.gz SPUNXJYZADTMKL-CQSZACIVSA-N 1 2 375.238 2.436 20 0 GEADLO O=S(=O)(NCc1ccc(N2CCOCC2)[nH+]c1)c1cccc(Cl)c1F ZINC000032411153 531651161 /nfs/dbraw/zinc/65/11/61/531651161.db2.gz TUYOVXZAXYUHMR-UHFFFAOYSA-N 1 2 385.848 2.189 20 0 GEADLO Cc1ccc(S(=O)(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1Cl ZINC000032417463 531651578 /nfs/dbraw/zinc/65/15/78/531651578.db2.gz ODMKDHIRDRWORH-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000032411157 531652331 /nfs/dbraw/zinc/65/23/31/531652331.db2.gz PGBAIQOTNFYMJS-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO CC[N@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)NCC(=O)OC ZINC000155185382 531662060 /nfs/dbraw/zinc/66/20/60/531662060.db2.gz SSIAHFOZNZNVFM-JTQLQIEISA-N 1 2 375.238 2.088 20 0 GEADLO CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)NCC(=O)OC ZINC000155185382 531662067 /nfs/dbraw/zinc/66/20/67/531662067.db2.gz SSIAHFOZNZNVFM-JTQLQIEISA-N 1 2 375.238 2.088 20 0 GEADLO CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(Br)c2)c[nH+]1 ZINC000041637452 531667317 /nfs/dbraw/zinc/66/73/17/531667317.db2.gz BSSIOINOGZMJFE-UHFFFAOYSA-N 1 2 377.242 2.165 20 0 GEADLO CC(C)[C@@H](Sc1[nH+]cc2ccccn21)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000042992173 531677015 /nfs/dbraw/zinc/67/70/15/531677015.db2.gz NCXWCCQYMTXAOY-PBHICJAKSA-N 1 2 381.523 2.144 20 0 GEADLO Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)c(Br)c1 ZINC000044535580 531682266 /nfs/dbraw/zinc/68/22/66/531682266.db2.gz KLIQTXRDNXZPKM-KBPBESRZSA-N 1 2 385.302 2.362 20 0 GEADLO CSc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)ccc1NC(C)=O ZINC000044904504 531688330 /nfs/dbraw/zinc/68/83/30/531688330.db2.gz UYVVMFHPSSSWTH-UHFFFAOYSA-N 1 2 376.507 3.064 20 0 GEADLO CSc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)ccc1NC(C)=O ZINC000044904504 531688340 /nfs/dbraw/zinc/68/83/40/531688340.db2.gz UYVVMFHPSSSWTH-UHFFFAOYSA-N 1 2 376.507 3.064 20 0 GEADLO CN1CC[NH+]([C@@H](CNC(=O)CCOCC(F)(F)F)c2cccs2)CC1 ZINC000045281268 531689830 /nfs/dbraw/zinc/68/98/30/531689830.db2.gz DFQUTZRYIRYHDQ-ZDUSSCGKSA-N 1 2 379.448 2.122 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000045356424 531692320 /nfs/dbraw/zinc/69/23/20/531692320.db2.gz XFONZKBGRQPOQK-LBPRGKRZSA-N 1 2 387.311 2.026 20 0 GEADLO CCN(C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000046253918 531702013 /nfs/dbraw/zinc/70/20/13/531702013.db2.gz QJLVTZQPPQRCIK-HZPDHXFCSA-N 1 2 387.571 2.350 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[NH+](CC(C)C)CC1 ZINC000047033059 531709218 /nfs/dbraw/zinc/70/92/18/531709218.db2.gz QROLDQOZUBZYDO-UHFFFAOYSA-N 1 2 391.331 2.420 20 0 GEADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000048059750 531726692 /nfs/dbraw/zinc/72/66/92/531726692.db2.gz OMCFMCHSYCVIPK-AWEZNQCLSA-N 1 2 381.318 2.367 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000156292805 531727543 /nfs/dbraw/zinc/72/75/43/531727543.db2.gz NYPWWFGBVDEECW-JOYOIKCWSA-N 1 2 386.823 2.356 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000156292805 531727548 /nfs/dbraw/zinc/72/75/48/531727548.db2.gz NYPWWFGBVDEECW-JOYOIKCWSA-N 1 2 386.823 2.356 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cncc(I)c1 ZINC000157584054 531747339 /nfs/dbraw/zinc/74/73/39/531747339.db2.gz WERBYHBBRXKXFT-UHFFFAOYSA-N 1 2 396.232 2.192 20 0 GEADLO CC(=O)NCC1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000052848522 531749696 /nfs/dbraw/zinc/74/96/96/531749696.db2.gz ZAWWNINWSOUWOL-UHFFFAOYSA-N 1 2 386.265 2.375 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@H+](C)CCc1nccs1 ZINC000157787810 531753425 /nfs/dbraw/zinc/75/34/25/531753425.db2.gz VPIMSFYJXVCBLN-UHFFFAOYSA-N 1 2 380.901 2.334 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+](C)CCc1nccs1 ZINC000157787810 531753429 /nfs/dbraw/zinc/75/34/29/531753429.db2.gz VPIMSFYJXVCBLN-UHFFFAOYSA-N 1 2 380.901 2.334 20 0 GEADLO COc1cccc([C@@H](CNC(=O)c2csc(S(C)(=O)=O)c2)[NH+](C)C)c1 ZINC000157850286 531758288 /nfs/dbraw/zinc/75/82/88/531758288.db2.gz FNHUFHUPTFXCLO-OAHLLOKOSA-N 1 2 382.507 2.193 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000053217630 531759186 /nfs/dbraw/zinc/75/91/86/531759186.db2.gz JFRLHMQYIHYINL-ZDUSSCGKSA-N 1 2 391.896 2.211 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000053217630 531759193 /nfs/dbraw/zinc/75/91/93/531759193.db2.gz JFRLHMQYIHYINL-ZDUSSCGKSA-N 1 2 391.896 2.211 20 0 GEADLO C[C@@H]1CN(C(=O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000158203866 531768253 /nfs/dbraw/zinc/76/82/53/531768253.db2.gz XOUPRRSIORNWIE-CHWSQXEVSA-N 1 2 375.296 2.424 20 0 GEADLO C[C@@H]1CN(C(=O)C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000158203866 531768261 /nfs/dbraw/zinc/76/82/61/531768261.db2.gz XOUPRRSIORNWIE-CHWSQXEVSA-N 1 2 375.296 2.424 20 0 GEADLO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCCC[NH+]1CCOCC1 ZINC000158202030 531769197 /nfs/dbraw/zinc/76/91/97/531769197.db2.gz XURFKDGALCVSOZ-AWEZNQCLSA-N 1 2 397.313 2.497 20 0 GEADLO O=C(CNC(=O)c1ccsc1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000055127717 531783870 /nfs/dbraw/zinc/78/38/70/531783870.db2.gz ZZTXIFRONRRVJR-UHFFFAOYSA-N 1 2 377.897 2.476 20 0 GEADLO CCCCN(C)S(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000056121369 531807068 /nfs/dbraw/zinc/80/70/68/531807068.db2.gz SSRQNTWTXRUUJY-UHFFFAOYSA-N 1 2 375.485 2.496 20 0 GEADLO O=S(=O)(NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000056966234 531815398 /nfs/dbraw/zinc/81/53/98/531815398.db2.gz QAZWOYVGUFXTME-UHFFFAOYSA-N 1 2 379.913 2.441 20 0 GEADLO O=S(=O)(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1Cl ZINC000056966023 531815578 /nfs/dbraw/zinc/81/55/78/531815578.db2.gz YJKGYEXTLNELFP-UHFFFAOYSA-N 1 2 379.913 2.441 20 0 GEADLO COCCn1c2ccc(Cl)cc2nc1SCC(=O)N1CC[NH+](C)CC1 ZINC000058946068 531839763 /nfs/dbraw/zinc/83/97/63/531839763.db2.gz JLBLIIGZRSDETQ-UHFFFAOYSA-N 1 2 382.917 2.202 20 0 GEADLO C[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]1CO ZINC000162905321 531853848 /nfs/dbraw/zinc/85/38/48/531853848.db2.gz CLYTZEBNUMCTAN-SWLSCSKDSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]1CO ZINC000162905321 531853850 /nfs/dbraw/zinc/85/38/50/531853850.db2.gz CLYTZEBNUMCTAN-SWLSCSKDSA-N 1 2 376.316 2.316 20 0 GEADLO O=C(COCC(F)(F)F)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000060505140 531845334 /nfs/dbraw/zinc/84/53/34/531845334.db2.gz AFHDJFJUQFVJTN-UHFFFAOYSA-N 1 2 380.794 2.442 20 0 GEADLO CC(C)(CNC(=O)NCc1sccc1Br)[NH+]1CCOCC1 ZINC000060591871 531845633 /nfs/dbraw/zinc/84/56/33/531845633.db2.gz AXGFDSPWCJCFPA-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000063666555 531859386 /nfs/dbraw/zinc/85/93/86/531859386.db2.gz XDRBPCAONSSRJT-SECBINFHSA-N 1 2 385.287 2.021 20 0 GEADLO CS(=O)(=O)CCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163700812 531862632 /nfs/dbraw/zinc/86/26/32/531862632.db2.gz OZADSBSRINMYNO-UHFFFAOYSA-N 1 2 375.332 2.001 20 0 GEADLO O=C(C[N@@H+]1CCCN(c2nccs2)CC1)Nc1ccc(Br)cn1 ZINC000064401888 531865650 /nfs/dbraw/zinc/86/56/50/531865650.db2.gz FDTMHASBBJZYMZ-UHFFFAOYSA-N 1 2 396.314 2.451 20 0 GEADLO O=C(C[N@H+]1CCCN(c2nccs2)CC1)Nc1ccc(Br)cn1 ZINC000064401888 531865657 /nfs/dbraw/zinc/86/56/57/531865657.db2.gz FDTMHASBBJZYMZ-UHFFFAOYSA-N 1 2 396.314 2.451 20 0 GEADLO O[C@@H](CSc1nnc(Cc2cccs2)n1C1CC1)C[NH+]1CCOCC1 ZINC000066402767 531874789 /nfs/dbraw/zinc/87/47/89/531874789.db2.gz AOSIHZDMCPVWIW-CQSZACIVSA-N 1 2 380.539 2.051 20 0 GEADLO COC(=O)CC[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000067118601 531876402 /nfs/dbraw/zinc/87/64/02/531876402.db2.gz UPDMONGFGSSSLG-UHFFFAOYSA-N 1 2 395.308 2.004 20 0 GEADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000170909346 531893699 /nfs/dbraw/zinc/89/36/99/531893699.db2.gz VQCBQHAXDNCDPK-ZDUSSCGKSA-N 1 2 388.331 2.070 20 0 GEADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000170909346 531893709 /nfs/dbraw/zinc/89/37/09/531893709.db2.gz VQCBQHAXDNCDPK-ZDUSSCGKSA-N 1 2 388.331 2.070 20 0 GEADLO CNC(=O)c1ccc(C[N@H+](C)[C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000170912497 531893795 /nfs/dbraw/zinc/89/37/95/531893795.db2.gz HVHKEBACBCFIOV-INIZCTEOSA-N 1 2 390.281 2.467 20 0 GEADLO CNC(=O)c1ccc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000170912497 531893800 /nfs/dbraw/zinc/89/38/00/531893800.db2.gz HVHKEBACBCFIOV-INIZCTEOSA-N 1 2 390.281 2.467 20 0 GEADLO COc1cccc(SCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000068027836 531894585 /nfs/dbraw/zinc/89/45/85/531894585.db2.gz JIZIKEMUCWTREY-GOSISDBHSA-N 1 2 382.551 2.111 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170650434 531886665 /nfs/dbraw/zinc/88/66/65/531886665.db2.gz WLUMOCRKESRNKO-ZDUSSCGKSA-N 1 2 390.285 2.388 20 0 GEADLO O=S(=O)(c1ccc2c(c1)COC2)N1CC[NH+](CCc2cccs2)CC1 ZINC000069115004 531910176 /nfs/dbraw/zinc/91/01/76/531910176.db2.gz CXMWHLNPRDYTTM-UHFFFAOYSA-N 1 2 378.519 2.327 20 0 GEADLO C[C@@H](NC(=O)NCc1ccc(F)cc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000171655966 531910250 /nfs/dbraw/zinc/91/02/50/531910250.db2.gz YPOBDULSXAGUDB-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO CC[N@H+](Cc1cc2c(c(Br)c1)OCO2)[C@H](C)CS(C)(=O)=O ZINC000171835102 531921240 /nfs/dbraw/zinc/92/12/40/531921240.db2.gz SXTGSWZVQOPYLN-SNVBAGLBSA-N 1 2 378.288 2.433 20 0 GEADLO CC[N@@H+](Cc1cc2c(c(Br)c1)OCO2)[C@H](C)CS(C)(=O)=O ZINC000171835102 531921247 /nfs/dbraw/zinc/92/12/47/531921247.db2.gz SXTGSWZVQOPYLN-SNVBAGLBSA-N 1 2 378.288 2.433 20 0 GEADLO O=C1NCCN1[C@@H]1CCCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000092188343 531925246 /nfs/dbraw/zinc/92/52/46/531925246.db2.gz RCJYJLBPRBIRDI-CYBMUJFWSA-N 1 2 378.274 2.086 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000092188343 531925254 /nfs/dbraw/zinc/92/52/54/531925254.db2.gz RCJYJLBPRBIRDI-CYBMUJFWSA-N 1 2 378.274 2.086 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000092188343 531925259 /nfs/dbraw/zinc/92/52/59/531925259.db2.gz RCJYJLBPRBIRDI-CYBMUJFWSA-N 1 2 378.274 2.086 20 0 GEADLO O=C1NCCN1[C@H]1CCCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000092188342 531925895 /nfs/dbraw/zinc/92/58/95/531925895.db2.gz RCJYJLBPRBIRDI-ZDUSSCGKSA-N 1 2 378.274 2.086 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000092188342 531925897 /nfs/dbraw/zinc/92/58/97/531925897.db2.gz RCJYJLBPRBIRDI-ZDUSSCGKSA-N 1 2 378.274 2.086 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000092188342 531925899 /nfs/dbraw/zinc/92/58/99/531925899.db2.gz RCJYJLBPRBIRDI-ZDUSSCGKSA-N 1 2 378.274 2.086 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)C[C@@H]3CCCO3)CC2)cs1 ZINC000171777210 531915193 /nfs/dbraw/zinc/91/51/93/531915193.db2.gz AOTWEWRQWIPTIT-INIZCTEOSA-N 1 2 387.571 2.016 20 0 GEADLO C[N@@H+]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC1 ZINC000097405613 531936093 /nfs/dbraw/zinc/93/60/93/531936093.db2.gz QKDURFMBWLFARH-UHFFFAOYSA-N 1 2 379.507 2.327 20 0 GEADLO C[N@H+]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC1 ZINC000097405613 531936102 /nfs/dbraw/zinc/93/61/02/531936102.db2.gz QKDURFMBWLFARH-UHFFFAOYSA-N 1 2 379.507 2.327 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCCC[C@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000112089320 531944426 /nfs/dbraw/zinc/94/44/26/531944426.db2.gz HSPNRMWQYSENAO-BBWFWOEESA-N 1 2 390.615 2.408 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCCC[C@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000112089320 531944432 /nfs/dbraw/zinc/94/44/32/531944432.db2.gz HSPNRMWQYSENAO-BBWFWOEESA-N 1 2 390.615 2.408 20 0 GEADLO Cc1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)c(C[NH+](C)C)c1 ZINC000114054162 531954391 /nfs/dbraw/zinc/95/43/91/531954391.db2.gz VPAVRWBOXYHUIH-UHFFFAOYSA-N 1 2 382.507 2.261 20 0 GEADLO CCC(CC)[C@@H](CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)[NH+](C)C ZINC000119422788 531968022 /nfs/dbraw/zinc/96/80/22/531968022.db2.gz ZUVMTPWWALJVDC-MRXNPFEDSA-N 1 2 390.571 2.272 20 0 GEADLO Cn1cc(Br)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000120191354 531976626 /nfs/dbraw/zinc/97/66/26/531976626.db2.gz PAJLAPOABQQJRH-MRXNPFEDSA-N 1 2 392.297 2.418 20 0 GEADLO Cn1cc(Br)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000120191354 531976635 /nfs/dbraw/zinc/97/66/35/531976635.db2.gz PAJLAPOABQQJRH-MRXNPFEDSA-N 1 2 392.297 2.418 20 0 GEADLO O=C(C[NH+]1CCN(Cc2cc(Cl)ccc2Br)CC1)NC1CC1 ZINC000120751379 531992593 /nfs/dbraw/zinc/99/25/93/531992593.db2.gz WFTXFOHAHGBJMX-UHFFFAOYSA-N 1 2 386.721 2.499 20 0 GEADLO O=C(CN1CC[NH+](CCOCC(F)(F)F)CC1)Nc1ccc(Cl)cc1 ZINC000120912318 532001521 /nfs/dbraw/zinc/00/15/21/532001521.db2.gz XQGXJXSQUMCGQB-UHFFFAOYSA-N 1 2 379.810 2.475 20 0 GEADLO CCN(C(=O)C[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000121011536 532007786 /nfs/dbraw/zinc/00/77/86/532007786.db2.gz XLWIISNPGZJXTR-YOEHRIQHSA-N 1 2 386.945 2.238 20 0 GEADLO CCN(C(=O)C[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000121011536 532007791 /nfs/dbraw/zinc/00/77/91/532007791.db2.gz XLWIISNPGZJXTR-YOEHRIQHSA-N 1 2 386.945 2.238 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000173471645 532013550 /nfs/dbraw/zinc/01/35/50/532013550.db2.gz PJECULAQKFQNTP-NSHDSACASA-N 1 2 389.315 2.421 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000173471645 532013556 /nfs/dbraw/zinc/01/35/56/532013556.db2.gz PJECULAQKFQNTP-NSHDSACASA-N 1 2 389.315 2.421 20 0 GEADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2ccccc2OC(F)F)CC1 ZINC000173527871 532017062 /nfs/dbraw/zinc/01/70/62/532017062.db2.gz QPVRPSMEEICAPF-UHFFFAOYSA-N 1 2 378.441 2.019 20 0 GEADLO C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)Cc1ccc(F)cc1 ZINC000121166828 532017085 /nfs/dbraw/zinc/01/70/85/532017085.db2.gz QEQQDWDPELFKNK-UHFFFAOYSA-N 1 2 385.848 2.197 20 0 GEADLO C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)Cc1ccc(F)cc1 ZINC000121166828 532017091 /nfs/dbraw/zinc/01/70/91/532017091.db2.gz QEQQDWDPELFKNK-UHFFFAOYSA-N 1 2 385.848 2.197 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173541896 532018479 /nfs/dbraw/zinc/01/84/79/532018479.db2.gz IJWCBMMMQDMTOU-GFCCVEGCSA-N 1 2 379.309 2.336 20 0 GEADLO CCn1c(SCC(=O)NCCc2c[nH+]cn2C)nnc1-c1cccs1 ZINC000121587586 532035834 /nfs/dbraw/zinc/03/58/34/532035834.db2.gz KUTNNVIRCZFMQR-UHFFFAOYSA-N 1 2 376.511 2.211 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000173864031 532038678 /nfs/dbraw/zinc/03/86/78/532038678.db2.gz PJTSEKRDPKZYHD-LLVKDONJSA-N 1 2 377.819 2.461 20 0 GEADLO COc1cc(Br)c(CN2CC[C@@H]([NH+]3CCOCC3)C2)cc1OC ZINC000173907947 532042711 /nfs/dbraw/zinc/04/27/11/532042711.db2.gz QIKWZGPFSQNULV-CQSZACIVSA-N 1 2 385.302 2.373 20 0 GEADLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000121925427 532053736 /nfs/dbraw/zinc/05/37/36/532053736.db2.gz GGDNENGVSCMADO-UHFFFAOYSA-N 1 2 382.555 2.286 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1Br ZINC000174472494 532065843 /nfs/dbraw/zinc/06/58/43/532065843.db2.gz VGWRDTQKRYALCR-GFCCVEGCSA-N 1 2 385.306 2.232 20 0 GEADLO CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000174631417 532072159 /nfs/dbraw/zinc/07/21/59/532072159.db2.gz SGRIWWMMUFTTBO-UHFFFAOYSA-N 1 2 395.232 2.304 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000122516381 532072787 /nfs/dbraw/zinc/07/27/87/532072787.db2.gz XCJQIIDULJJXQB-CABCVRRESA-N 1 2 376.881 2.152 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000122516381 532072794 /nfs/dbraw/zinc/07/27/94/532072794.db2.gz XCJQIIDULJJXQB-CABCVRRESA-N 1 2 376.881 2.152 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000122678330 532078775 /nfs/dbraw/zinc/07/87/75/532078775.db2.gz PWZNQPKPVGGJNW-CHWSQXEVSA-N 1 2 380.432 2.171 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[N@H+]1C[C@@H](C)O ZINC000122678330 532078779 /nfs/dbraw/zinc/07/87/79/532078779.db2.gz PWZNQPKPVGGJNW-CHWSQXEVSA-N 1 2 380.432 2.171 20 0 GEADLO CC(C)C[C@H](CNS(=O)(=O)Cc1c(F)cccc1F)[NH+]1CCOCC1 ZINC000122715985 532080786 /nfs/dbraw/zinc/08/07/86/532080786.db2.gz GNUZRSOACKCHEF-CQSZACIVSA-N 1 2 376.469 2.131 20 0 GEADLO C[C@H](C(=O)Nc1cc(Cl)cc(Br)c1O)N1CC[NH+](C)CC1 ZINC000174918238 532083931 /nfs/dbraw/zinc/08/39/31/532083931.db2.gz GCHBRSDVOOPQBD-SECBINFHSA-N 1 2 376.682 2.383 20 0 GEADLO COc1cc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)ccc1Br ZINC000175211184 532092803 /nfs/dbraw/zinc/09/28/03/532092803.db2.gz JJHQXAXEUFWIOB-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](NS(C)(=O)=O)C3)cs2)c1 ZINC000123328328 532097833 /nfs/dbraw/zinc/09/78/33/532097833.db2.gz DNSFSIPREBAOIR-AWEZNQCLSA-N 1 2 381.523 2.332 20 0 GEADLO COc1cccc(-c2nc(C[N@H+]3CCC[C@H](NS(C)(=O)=O)C3)cs2)c1 ZINC000123328328 532097835 /nfs/dbraw/zinc/09/78/35/532097835.db2.gz DNSFSIPREBAOIR-AWEZNQCLSA-N 1 2 381.523 2.332 20 0 GEADLO Cc1ccc(Br)c(NC(=O)C(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000123307310 532097986 /nfs/dbraw/zinc/09/79/86/532097986.db2.gz OHWVMEGXSJZOHT-UHFFFAOYSA-N 1 2 391.269 2.473 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+](CCC2OCCO2)CC1 ZINC000123609205 532103666 /nfs/dbraw/zinc/10/36/66/532103666.db2.gz UVAKWFRDYUNCHO-UHFFFAOYSA-N 1 2 395.308 2.063 20 0 GEADLO C[C@H](O)C1CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000175666087 532111134 /nfs/dbraw/zinc/11/11/34/532111134.db2.gz NAUOWOUGGBOQHY-LBPRGKRZSA-N 1 2 376.316 2.316 20 0 GEADLO COc1ccc(Br)cc1-c1nc(C[NH+](CCO)CCO)cs1 ZINC000175911370 532118619 /nfs/dbraw/zinc/11/86/19/532118619.db2.gz OSVUDMMVAHUECB-UHFFFAOYSA-N 1 2 387.299 2.368 20 0 GEADLO CC[N@H+](CCCNC(=O)c1cc(S(=O)(=O)NC)cs1)c1ccccc1 ZINC000175942436 532119561 /nfs/dbraw/zinc/11/95/61/532119561.db2.gz FTUQGHOMSDELLS-UHFFFAOYSA-N 1 2 381.523 2.303 20 0 GEADLO CC[N@@H+](CCCNC(=O)c1cc(S(=O)(=O)NC)cs1)c1ccccc1 ZINC000175942436 532119564 /nfs/dbraw/zinc/11/95/64/532119564.db2.gz FTUQGHOMSDELLS-UHFFFAOYSA-N 1 2 381.523 2.303 20 0 GEADLO CC(C)c1ncc(Cl)c(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000124035387 532113153 /nfs/dbraw/zinc/11/31/53/532113153.db2.gz VJIKKOFQKJYYMD-QGZVFWFLSA-N 1 2 384.933 2.191 20 0 GEADLO C[C@](O)(CNC(=O)c1cc2cc(Br)ccc2o1)C[NH+]1CCOCC1 ZINC000176478830 532138585 /nfs/dbraw/zinc/13/85/85/532138585.db2.gz ZBKAWPGZEUGAMY-KRWDZBQOSA-N 1 2 397.269 2.008 20 0 GEADLO C[C@@](O)(CNC(=O)c1cc2cc(Br)ccc2o1)C[NH+]1CCOCC1 ZINC000176478814 532139123 /nfs/dbraw/zinc/13/91/23/532139123.db2.gz ZBKAWPGZEUGAMY-QGZVFWFLSA-N 1 2 397.269 2.008 20 0 GEADLO COc1nc(NCc2cc[nH+]c(N3CCOCC3)c2)ncc1Br ZINC000176235548 532130943 /nfs/dbraw/zinc/13/09/43/532130943.db2.gz KFTJHDBHNVYOPU-UHFFFAOYSA-N 1 2 380.246 2.091 20 0 GEADLO COc1nc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)ncc1Br ZINC000176817407 532150153 /nfs/dbraw/zinc/15/01/53/532150153.db2.gz VNDOLRZJKRWCNH-NSHDSACASA-N 1 2 394.273 2.480 20 0 GEADLO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)Cc1cnn(C)c1 ZINC000126921357 532151938 /nfs/dbraw/zinc/15/19/38/532151938.db2.gz YKCHWHLCKCDXLN-LLVKDONJSA-N 1 2 398.248 2.484 20 0 GEADLO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)Cc1cnn(C)c1 ZINC000126921357 532151941 /nfs/dbraw/zinc/15/19/41/532151941.db2.gz YKCHWHLCKCDXLN-LLVKDONJSA-N 1 2 398.248 2.484 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000125742783 532141318 /nfs/dbraw/zinc/14/13/18/532141318.db2.gz UXCFWKIZKKHDFL-SKDRFNHKSA-N 1 2 386.823 2.356 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000125742783 532141322 /nfs/dbraw/zinc/14/13/22/532141322.db2.gz UXCFWKIZKKHDFL-SKDRFNHKSA-N 1 2 386.823 2.356 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000125742570 532141548 /nfs/dbraw/zinc/14/15/48/532141548.db2.gz UXCFWKIZKKHDFL-CABZTGNLSA-N 1 2 386.823 2.356 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000125742570 532141550 /nfs/dbraw/zinc/14/15/50/532141550.db2.gz UXCFWKIZKKHDFL-CABZTGNLSA-N 1 2 386.823 2.356 20 0 GEADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000125912755 532143890 /nfs/dbraw/zinc/14/38/90/532143890.db2.gz MGYIZOKKPQJIKA-UVJXUPGXSA-N 1 2 376.404 2.219 20 0 GEADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000125912755 532143893 /nfs/dbraw/zinc/14/38/93/532143893.db2.gz MGYIZOKKPQJIKA-UVJXUPGXSA-N 1 2 376.404 2.219 20 0 GEADLO O=S(=O)(CCCF)N1CCCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000176688607 532145532 /nfs/dbraw/zinc/14/55/32/532145532.db2.gz YAKWZZOYXPOPRD-UHFFFAOYSA-N 1 2 388.896 2.185 20 0 GEADLO Cc1nc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)ccc1Br ZINC000128799171 532168733 /nfs/dbraw/zinc/16/87/33/532168733.db2.gz DFSREJVAGCSOGU-ZDUSSCGKSA-N 1 2 383.290 2.481 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)cc(OC(C)C)c2)CC1 ZINC000176958435 532156995 /nfs/dbraw/zinc/15/69/95/532156995.db2.gz KTFBTRPNWDQACS-UHFFFAOYSA-N 1 2 398.301 2.339 20 0 GEADLO COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000176990789 532157726 /nfs/dbraw/zinc/15/77/26/532157726.db2.gz YTADLGYAEBWORS-UHFFFAOYSA-N 1 2 396.285 2.011 20 0 GEADLO O=S(=O)(NCc1ccn2cc[nH+]c2c1)c1cc2c(cc1Cl)OCCO2 ZINC000177727205 532180897 /nfs/dbraw/zinc/18/08/97/532180897.db2.gz KZOHRYXSIOQXEW-UHFFFAOYSA-N 1 2 379.825 2.237 20 0 GEADLO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177782968 532183029 /nfs/dbraw/zinc/18/30/29/532183029.db2.gz UPWXMYAMGNEHSA-VIFPVBQESA-N 1 2 378.420 2.230 20 0 GEADLO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177782968 532183033 /nfs/dbraw/zinc/18/30/33/532183033.db2.gz UPWXMYAMGNEHSA-VIFPVBQESA-N 1 2 378.420 2.230 20 0 GEADLO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CS(N)(=O)=O)CC2)c(Cl)c1 ZINC000129773722 532184193 /nfs/dbraw/zinc/18/41/93/532184193.db2.gz ZRVTZTXFXHYURR-ZDUSSCGKSA-N 1 2 387.933 2.284 20 0 GEADLO COC(=O)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000177454995 532171765 /nfs/dbraw/zinc/17/17/65/532171765.db2.gz NSSORMCTOCGUEG-UHFFFAOYSA-N 1 2 375.206 2.307 20 0 GEADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc(I)cc2)n1 ZINC000130445952 532192757 /nfs/dbraw/zinc/19/27/57/532192757.db2.gz NXIGWYISVXFUEW-CYBMUJFWSA-N 1 2 397.216 2.396 20 0 GEADLO NC(=O)[C@H]1CCC[N@H+]1Cc1coc(-c2ccc(I)cc2)n1 ZINC000130445952 532192759 /nfs/dbraw/zinc/19/27/59/532192759.db2.gz NXIGWYISVXFUEW-CYBMUJFWSA-N 1 2 397.216 2.396 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)c1ccc(Br)cc1Br ZINC000131900275 532206890 /nfs/dbraw/zinc/20/68/90/532206890.db2.gz NVGXXRXMGNYHIC-UHFFFAOYSA-N 1 2 392.091 2.274 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178859016 532215012 /nfs/dbraw/zinc/21/50/12/532215012.db2.gz AVVRQJLRVKQPOF-UHFFFAOYSA-N 1 2 379.825 2.253 20 0 GEADLO COC[C@@](C)(CCO)[NH2+]Cc1nc(Cc2cccc(Br)c2)no1 ZINC000132558295 532217695 /nfs/dbraw/zinc/21/76/95/532217695.db2.gz ZCIZADHKJFKURS-MRXNPFEDSA-N 1 2 384.274 2.300 20 0 GEADLO O=C(NCC[C@@H]1CC[NH2+]C1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000178950465 532218264 /nfs/dbraw/zinc/21/82/64/532218264.db2.gz NLECZNBQPMYKBV-ZDUSSCGKSA-N 1 2 379.507 2.278 20 0 GEADLO CS(=O)(=O)c1csc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000179295956 532227429 /nfs/dbraw/zinc/22/74/29/532227429.db2.gz OETSNTWYNNXVJR-UHFFFAOYSA-N 1 2 375.475 2.326 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@H](NS(=O)(=O)c2ccccn2)c2ccc(Cl)cc2)C1 ZINC000133357189 532232627 /nfs/dbraw/zinc/23/26/27/532232627.db2.gz TXNKNGILCRNPDI-NVXWUHKLSA-N 1 2 381.885 2.085 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@H](NS(=O)(=O)c2ccccn2)c2ccc(Cl)cc2)C1 ZINC000133357189 532232629 /nfs/dbraw/zinc/23/26/29/532232629.db2.gz TXNKNGILCRNPDI-NVXWUHKLSA-N 1 2 381.885 2.085 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)[C@H]2COc3ccc(Br)cc32)CCO1 ZINC000179255415 532226271 /nfs/dbraw/zinc/22/62/71/532226271.db2.gz OLDCXHQUJCWJNI-AWEZNQCLSA-N 1 2 383.286 2.152 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)[C@H]2COc3ccc(Br)cc32)CCO1 ZINC000179255415 532226273 /nfs/dbraw/zinc/22/62/73/532226273.db2.gz OLDCXHQUJCWJNI-AWEZNQCLSA-N 1 2 383.286 2.152 20 0 GEADLO CCC[N@H+](Cc1c(C)nn(C)c1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000179644068 532239868 /nfs/dbraw/zinc/23/98/68/532239868.db2.gz WKFKHTMACVDPAR-LBPRGKRZSA-N 1 2 383.436 2.069 20 0 GEADLO CCC[N@@H+](Cc1c(C)nn(C)c1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000179644068 532239872 /nfs/dbraw/zinc/23/98/72/532239872.db2.gz WKFKHTMACVDPAR-LBPRGKRZSA-N 1 2 383.436 2.069 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CCN1CC(F)(F)F ZINC000133767401 532242623 /nfs/dbraw/zinc/24/26/23/532242623.db2.gz MDBSWHLLBPKIPQ-CYBMUJFWSA-N 1 2 379.448 2.005 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CCN1CC(F)(F)F ZINC000133767401 532242628 /nfs/dbraw/zinc/24/26/28/532242628.db2.gz MDBSWHLLBPKIPQ-CYBMUJFWSA-N 1 2 379.448 2.005 20 0 GEADLO C[C@@H]1CCN(C(=O)c2cnn3cc(Br)cnc23)C[C@@H]1n1cc[nH+]c1 ZINC000179806182 532245147 /nfs/dbraw/zinc/24/51/47/532245147.db2.gz AIYRSGWXCCMOKB-RISCZKNCSA-N 1 2 389.257 2.412 20 0 GEADLO Cc1c[nH+]ccc1NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000179849479 532247247 /nfs/dbraw/zinc/24/72/47/532247247.db2.gz PCUQNGZVBYNSLC-UHFFFAOYSA-N 1 2 380.495 2.426 20 0 GEADLO C[C@H]1CCN(c2ncnc3c2c(Br)nn3C)C[C@@H]1n1cc[nH+]c1 ZINC000134117728 532249720 /nfs/dbraw/zinc/24/97/20/532249720.db2.gz JSGFAQPRGCMAAE-QWRGUYRKSA-N 1 2 376.262 2.410 20 0 GEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(C)c(Br)c1 ZINC000179587663 532237223 /nfs/dbraw/zinc/23/72/23/532237223.db2.gz PHQUITQIOUOQOC-UHFFFAOYSA-N 1 2 385.302 2.065 20 0 GEADLO CC[N@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000179597000 532237810 /nfs/dbraw/zinc/23/78/10/532237810.db2.gz PRDZTJSFOURSNR-LBPRGKRZSA-N 1 2 390.299 2.229 20 0 GEADLO CC[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000179597000 532237811 /nfs/dbraw/zinc/23/78/11/532237811.db2.gz PRDZTJSFOURSNR-LBPRGKRZSA-N 1 2 390.299 2.229 20 0 GEADLO CC[N@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000179596989 532238515 /nfs/dbraw/zinc/23/85/15/532238515.db2.gz PRDZTJSFOURSNR-GFCCVEGCSA-N 1 2 390.299 2.229 20 0 GEADLO CC[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000179596989 532238522 /nfs/dbraw/zinc/23/85/22/532238522.db2.gz PRDZTJSFOURSNR-GFCCVEGCSA-N 1 2 390.299 2.229 20 0 GEADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000135371252 532270989 /nfs/dbraw/zinc/27/09/89/532270989.db2.gz RLQLJRHFCVXGTE-OAHLLOKOSA-N 1 2 375.252 2.178 20 0 GEADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000135365186 532271065 /nfs/dbraw/zinc/27/10/65/532271065.db2.gz OXZOZGLVZUZFEQ-HNNXBMFYSA-N 1 2 375.252 2.178 20 0 GEADLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000134547093 532258460 /nfs/dbraw/zinc/25/84/60/532258460.db2.gz LULUYHJLAYDBPW-UHFFFAOYSA-N 1 2 376.251 2.496 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000134546745 532258704 /nfs/dbraw/zinc/25/87/04/532258704.db2.gz BWJBZFVBPJHDOS-UHFFFAOYSA-N 1 2 388.287 2.365 20 0 GEADLO C[C@H](NC(=O)c1cc(Cl)cc(Br)c1O)[C@@H]1C[N@H+](C)CCO1 ZINC000134970843 532264553 /nfs/dbraw/zinc/26/45/53/532264553.db2.gz YLDVSIKWNPHMMG-UFBFGSQYSA-N 1 2 377.666 2.257 20 0 GEADLO C[C@H](NC(=O)c1cc(Cl)cc(Br)c1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000134970843 532264558 /nfs/dbraw/zinc/26/45/58/532264558.db2.gz YLDVSIKWNPHMMG-UFBFGSQYSA-N 1 2 377.666 2.257 20 0 GEADLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000180304376 532266415 /nfs/dbraw/zinc/26/64/15/532266415.db2.gz DJHUNFHCASFCKC-AWEZNQCLSA-N 1 2 381.325 2.212 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135551218 532275788 /nfs/dbraw/zinc/27/57/88/532275788.db2.gz JTBUUJUUDQHYLL-KBPBESRZSA-N 1 2 396.314 2.131 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135551218 532275792 /nfs/dbraw/zinc/27/57/92/532275792.db2.gz JTBUUJUUDQHYLL-KBPBESRZSA-N 1 2 396.314 2.131 20 0 GEADLO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(F)cc1Cl ZINC000136139311 532282992 /nfs/dbraw/zinc/28/29/92/532282992.db2.gz RBMLZYOVGYYTQE-UHFFFAOYSA-N 1 2 386.876 2.382 20 0 GEADLO COC(=O)[C@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000135380130 532272847 /nfs/dbraw/zinc/27/28/47/532272847.db2.gz RUHYEPAIESSUFR-XHDPSFHLSA-N 1 2 399.285 2.022 20 0 GEADLO C[C@@H](CNC(=O)c1ccc(Br)cc1-n1cncn1)Cn1cc[nH+]c1 ZINC000135446946 532273267 /nfs/dbraw/zinc/27/32/67/532273267.db2.gz HKAURLDHKGNMJG-LBPRGKRZSA-N 1 2 389.257 2.292 20 0 GEADLO COc1cc(Br)ccc1CN1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000182058858 532308319 /nfs/dbraw/zinc/30/83/19/532308319.db2.gz KLMFAFYQMVFUNS-UHFFFAOYSA-N 1 2 384.318 2.100 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN(c2cnccn2)CC1 ZINC000141877434 532295357 /nfs/dbraw/zinc/29/53/57/532295357.db2.gz FUIIGRCCIHBOFQ-ZDUSSCGKSA-N 1 2 390.285 2.388 20 0 GEADLO O=C(Cn1cc(Br)cn1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000144400528 532296562 /nfs/dbraw/zinc/29/65/62/532296562.db2.gz LYYUKRAUCDOHKL-UHFFFAOYSA-N 1 2 381.249 2.129 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000181517332 532299895 /nfs/dbraw/zinc/29/98/95/532299895.db2.gz IFBKAPMDYAIKKG-LLVKDONJSA-N 1 2 395.308 2.251 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000181517332 532299900 /nfs/dbraw/zinc/29/99/00/532299900.db2.gz IFBKAPMDYAIKKG-LLVKDONJSA-N 1 2 395.308 2.251 20 0 GEADLO CS(=O)(=O)C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000181769080 532306107 /nfs/dbraw/zinc/30/61/07/532306107.db2.gz NSNKSXHCLBOAMP-QGZVFWFLSA-N 1 2 380.897 2.332 20 0 GEADLO CC[C@@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)c1nccs1 ZINC000185113061 532336811 /nfs/dbraw/zinc/33/68/11/532336811.db2.gz YREVTZSCFZAONA-GFCCVEGCSA-N 1 2 377.861 2.452 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185207578 532337276 /nfs/dbraw/zinc/33/72/76/532337276.db2.gz YBJGPGQKOOHBAX-KBXCAEBGSA-N 1 2 397.313 2.287 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185207578 532337277 /nfs/dbraw/zinc/33/72/77/532337277.db2.gz YBJGPGQKOOHBAX-KBXCAEBGSA-N 1 2 397.313 2.287 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000185777263 532338607 /nfs/dbraw/zinc/33/86/07/532338607.db2.gz WEERTJMYCVJDMK-CYBMUJFWSA-N 1 2 390.958 2.405 20 0 GEADLO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000186844207 532342133 /nfs/dbraw/zinc/34/21/33/532342133.db2.gz XNMIWCUUJQOICA-WFASDCNBSA-N 1 2 379.507 2.277 20 0 GEADLO CCN(C(=O)[C@@H](C)[NH+]1CCC(c2ccsc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000186923624 532342723 /nfs/dbraw/zinc/34/27/23/532342723.db2.gz AGGLWHAYEMSDPF-RHSMWYFYSA-N 1 2 384.567 2.352 20 0 GEADLO CSc1ccccc1S(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000186984075 532342779 /nfs/dbraw/zinc/34/27/79/532342779.db2.gz GZTPYWMGFMWHQH-UHFFFAOYSA-N 1 2 378.523 2.356 20 0 GEADLO O=C(C[N@@H+]1CCCN(c2ccccn2)CC1)Nc1ccc(Br)cn1 ZINC000183869736 532329678 /nfs/dbraw/zinc/32/96/78/532329678.db2.gz UAUGDCATAJADFG-UHFFFAOYSA-N 1 2 390.285 2.390 20 0 GEADLO O=C(C[N@H+]1CCCN(c2ccccn2)CC1)Nc1ccc(Br)cn1 ZINC000183869736 532329679 /nfs/dbraw/zinc/32/96/79/532329679.db2.gz UAUGDCATAJADFG-UHFFFAOYSA-N 1 2 390.285 2.390 20 0 GEADLO CCCCN(C(=O)C[NH2+]C(C)(C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000183969594 532330594 /nfs/dbraw/zinc/33/05/94/532330594.db2.gz FLBHFTJUUTYTFG-CQSZACIVSA-N 1 2 387.571 2.092 20 0 GEADLO CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000184245449 532331345 /nfs/dbraw/zinc/33/13/45/532331345.db2.gz XHLWYRJLPKOJJK-CYBMUJFWSA-N 1 2 380.539 2.329 20 0 GEADLO Cc1nc(N2CCN(C(=O)c3cc(Br)ccc3O)CC2)cc[nH+]1 ZINC000184946836 532336082 /nfs/dbraw/zinc/33/60/82/532336082.db2.gz IKPJHPYNMQMMJN-UHFFFAOYSA-N 1 2 377.242 2.216 20 0 GEADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000187962164 532346087 /nfs/dbraw/zinc/34/60/87/532346087.db2.gz MEARGRLAVIFYSK-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000187964407 532346149 /nfs/dbraw/zinc/34/61/49/532346149.db2.gz HAGAYZHXZZYJEA-VIFPVBQESA-N 1 2 387.716 2.334 20 0 GEADLO C[C@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CC[N@@H+]1CC(C)(C)O ZINC000188695355 532349177 /nfs/dbraw/zinc/34/91/77/532349177.db2.gz KCDDDOJIFUFGJR-NSHDSACASA-N 1 2 395.301 2.243 20 0 GEADLO C[C@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CC[N@H+]1CC(C)(C)O ZINC000188695355 532349178 /nfs/dbraw/zinc/34/91/78/532349178.db2.gz KCDDDOJIFUFGJR-NSHDSACASA-N 1 2 395.301 2.243 20 0 GEADLO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188812428 532349760 /nfs/dbraw/zinc/34/97/60/532349760.db2.gz FSRAOEKHULIGAS-QWHCGFSZSA-N 1 2 387.343 2.455 20 0 GEADLO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188812428 532349761 /nfs/dbraw/zinc/34/97/61/532349761.db2.gz FSRAOEKHULIGAS-QWHCGFSZSA-N 1 2 387.343 2.455 20 0 GEADLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCOc1cc(F)cc(Br)c1 ZINC000189003585 532350505 /nfs/dbraw/zinc/35/05/05/532350505.db2.gz NPTMSOYUPVZJPG-ZIAGYGMSSA-N 1 2 376.222 2.229 20 0 GEADLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000189003585 532350506 /nfs/dbraw/zinc/35/05/06/532350506.db2.gz NPTMSOYUPVZJPG-ZIAGYGMSSA-N 1 2 376.222 2.229 20 0 GEADLO COC[C@H]1C[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H](C)O1 ZINC000189377505 532351849 /nfs/dbraw/zinc/35/18/49/532351849.db2.gz RCLMRCYCRPEKAR-DGCLKSJQSA-N 1 2 391.331 2.205 20 0 GEADLO COC[C@H]1C[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H](C)O1 ZINC000189377505 532351850 /nfs/dbraw/zinc/35/18/50/532351850.db2.gz RCLMRCYCRPEKAR-DGCLKSJQSA-N 1 2 391.331 2.205 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189571299 532352763 /nfs/dbraw/zinc/35/27/63/532352763.db2.gz VGJQHOGGZKHZQK-OAHLLOKOSA-N 1 2 388.917 2.224 20 0 GEADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000189571664 532352790 /nfs/dbraw/zinc/35/27/90/532352790.db2.gz FLEOJWUIIAHSLG-ZFWWWQNUSA-N 1 2 375.252 2.320 20 0 GEADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000189571664 532352791 /nfs/dbraw/zinc/35/27/91/532352791.db2.gz FLEOJWUIIAHSLG-ZFWWWQNUSA-N 1 2 375.252 2.320 20 0 GEADLO COCc1noc(CN2CC[NH+](Cc3cccc(Br)c3)CC2)n1 ZINC000189633335 532353039 /nfs/dbraw/zinc/35/30/39/532353039.db2.gz YDRCAXAONDUWFV-UHFFFAOYSA-N 1 2 381.274 2.296 20 0 GEADLO Cc1ccc(Br)nc1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000189713133 532353300 /nfs/dbraw/zinc/35/33/00/532353300.db2.gz DLLWZHXUAOYKIK-UHFFFAOYSA-N 1 2 376.258 2.213 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000189905844 532354081 /nfs/dbraw/zinc/35/40/81/532354081.db2.gz WLKGSNFUOASXQH-UHFFFAOYSA-N 1 2 377.279 2.365 20 0 GEADLO O=C(NCC[N@@H+]1CCCOCC1)c1cc(Br)cc(Cl)c1O ZINC000190073704 532354641 /nfs/dbraw/zinc/35/46/41/532354641.db2.gz OMCHSRQXFFRHMX-UHFFFAOYSA-N 1 2 377.666 2.260 20 0 GEADLO O=C(NCC[N@H+]1CCCOCC1)c1cc(Br)cc(Cl)c1O ZINC000190073704 532354642 /nfs/dbraw/zinc/35/46/42/532354642.db2.gz OMCHSRQXFFRHMX-UHFFFAOYSA-N 1 2 377.666 2.260 20 0 GEADLO CCN1CCC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1=O ZINC000190204240 532355176 /nfs/dbraw/zinc/35/51/76/532355176.db2.gz JSQIZDFVFIKGOQ-CQSZACIVSA-N 1 2 396.329 2.350 20 0 GEADLO CCN1CCC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1=O ZINC000190204240 532355177 /nfs/dbraw/zinc/35/51/77/532355177.db2.gz JSQIZDFVFIKGOQ-CQSZACIVSA-N 1 2 396.329 2.350 20 0 GEADLO C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000190331182 532355622 /nfs/dbraw/zinc/35/56/22/532355622.db2.gz UCLJFKZZMFRMTJ-PHKINGBFSA-N 1 2 376.881 2.321 20 0 GEADLO C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000190331182 532355623 /nfs/dbraw/zinc/35/56/23/532355623.db2.gz UCLJFKZZMFRMTJ-PHKINGBFSA-N 1 2 376.881 2.321 20 0 GEADLO COCCCNC(=O)C[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000190361438 532355671 /nfs/dbraw/zinc/35/56/71/532355671.db2.gz JMECUUWATSDTMG-OAHLLOKOSA-N 1 2 388.295 2.183 20 0 GEADLO COCCCNC(=O)C[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000190361438 532355672 /nfs/dbraw/zinc/35/56/72/532355672.db2.gz JMECUUWATSDTMG-OAHLLOKOSA-N 1 2 388.295 2.183 20 0 GEADLO COCC[N@H+](Cc1sccc1Br)Cc1cc(=O)n2nccc2[nH]1 ZINC000191433032 532360804 /nfs/dbraw/zinc/36/08/04/532360804.db2.gz LJNSZYZUPWZYLO-UHFFFAOYSA-N 1 2 397.298 2.495 20 0 GEADLO COCC[N@@H+](Cc1sccc1Br)Cc1cc(=O)n2nccc2[nH]1 ZINC000191433032 532360805 /nfs/dbraw/zinc/36/08/05/532360805.db2.gz LJNSZYZUPWZYLO-UHFFFAOYSA-N 1 2 397.298 2.495 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCN1CCO[C@H](C)C1 ZINC000191419763 532360853 /nfs/dbraw/zinc/36/08/53/532360853.db2.gz YWJLBHXLNMDZJS-CQSZACIVSA-N 1 2 384.318 2.349 20 0 GEADLO CCS(=O)(=O)CCCCC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000190893353 532358592 /nfs/dbraw/zinc/35/85/92/532358592.db2.gz XXVWJGKSSNIHRM-UHFFFAOYSA-N 1 2 378.489 2.001 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCN1CCO[C@H](C)C1 ZINC000191419763 532360854 /nfs/dbraw/zinc/36/08/54/532360854.db2.gz YWJLBHXLNMDZJS-CQSZACIVSA-N 1 2 384.318 2.349 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)CC[N@@H+]1CCO[C@H](C)C1 ZINC000191419763 532360855 /nfs/dbraw/zinc/36/08/55/532360855.db2.gz YWJLBHXLNMDZJS-CQSZACIVSA-N 1 2 384.318 2.349 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)CC[N@H+]1CCO[C@H](C)C1 ZINC000191419763 532360856 /nfs/dbraw/zinc/36/08/56/532360856.db2.gz YWJLBHXLNMDZJS-CQSZACIVSA-N 1 2 384.318 2.349 20 0 GEADLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cc(=O)n3cc(Cl)ccc3n2)cn1 ZINC000191214091 532359875 /nfs/dbraw/zinc/35/98/75/532359875.db2.gz RJICLYAEWXRONT-HNNXBMFYSA-N 1 2 375.885 2.372 20 0 GEADLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cc(=O)n3cc(Cl)ccc3n2)cn1 ZINC000191214091 532359876 /nfs/dbraw/zinc/35/98/76/532359876.db2.gz RJICLYAEWXRONT-HNNXBMFYSA-N 1 2 375.885 2.372 20 0 GEADLO CS(=O)(=O)CC[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)C1CC1 ZINC000187325331 532344094 /nfs/dbraw/zinc/34/40/94/532344094.db2.gz KCYPXHNZFZYDDY-CQSZACIVSA-N 1 2 380.279 2.131 20 0 GEADLO CS(=O)(=O)CC[N@@H+](C[C@@H](O)c1ccc(F)c(Br)c1)C1CC1 ZINC000187325331 532344095 /nfs/dbraw/zinc/34/40/95/532344095.db2.gz KCYPXHNZFZYDDY-CQSZACIVSA-N 1 2 380.279 2.131 20 0 GEADLO O=C(Cc1sccc1Br)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000294683329 532374973 /nfs/dbraw/zinc/37/49/73/532374973.db2.gz UFAOYFWKAAIPNX-UHFFFAOYSA-N 1 2 399.314 2.221 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)c1c(Cl)cccc1I ZINC000463517151 532375676 /nfs/dbraw/zinc/37/56/76/532375676.db2.gz PAXKQHSCWIGKDI-UHFFFAOYSA-N 1 2 394.640 2.007 20 0 GEADLO Cn1ncc2c1nc(NCc1cc(Br)c3c(c1)OCCO3)[nH+]c2N ZINC000278387156 532376213 /nfs/dbraw/zinc/37/62/13/532376213.db2.gz LYUAZDMWWFMXRU-UHFFFAOYSA-N 1 2 391.229 2.091 20 0 GEADLO CSCC(C)(C)C(=O)NCC[NH+]1CCN(C(=O)C(C)(C)CSC)CC1 ZINC000590550383 532376473 /nfs/dbraw/zinc/37/64/73/532376473.db2.gz UMQNABLEPONFES-UHFFFAOYSA-N 1 2 389.631 2.025 20 0 GEADLO CS(=O)(=O)N1CCC[N@H+](Cc2ccnc3c(Br)cccc23)CC1 ZINC000515983051 532376601 /nfs/dbraw/zinc/37/66/01/532376601.db2.gz VSYPKWNNGXMKLO-UHFFFAOYSA-N 1 2 398.326 2.465 20 0 GEADLO CS(=O)(=O)N1CCC[N@@H+](Cc2ccnc3c(Br)cccc23)CC1 ZINC000515983051 532376605 /nfs/dbraw/zinc/37/66/05/532376605.db2.gz VSYPKWNNGXMKLO-UHFFFAOYSA-N 1 2 398.326 2.465 20 0 GEADLO Cc1cnc(N2CC[NH+](C3CCOCC3)CC2)c(I)c1 ZINC000425237756 532378298 /nfs/dbraw/zinc/37/82/98/532378298.db2.gz TUDIIUGTTNWIHN-UHFFFAOYSA-N 1 2 387.265 2.296 20 0 GEADLO NC(=O)c1csc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000191686757 532362362 /nfs/dbraw/zinc/36/23/62/532362362.db2.gz SSTYRPACEIWRQJ-UHFFFAOYSA-N 1 2 391.444 2.430 20 0 GEADLO NC(=O)c1csc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000191686757 532362366 /nfs/dbraw/zinc/36/23/66/532362366.db2.gz SSTYRPACEIWRQJ-UHFFFAOYSA-N 1 2 391.444 2.430 20 0 GEADLO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000647036942 532365285 /nfs/dbraw/zinc/36/52/85/532365285.db2.gz DZLHOVPZDULQSF-FZMZJTMJSA-N 1 2 382.233 2.197 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C[C@@H]1C ZINC000677148123 532366301 /nfs/dbraw/zinc/36/63/01/532366301.db2.gz ULPJCUAQSFHPBZ-JTQLQIEISA-N 1 2 377.869 2.152 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C[C@@H]1C ZINC000677148123 532366305 /nfs/dbraw/zinc/36/63/05/532366305.db2.gz ULPJCUAQSFHPBZ-JTQLQIEISA-N 1 2 377.869 2.152 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)[C@H](C)C1 ZINC000557537640 532368010 /nfs/dbraw/zinc/36/80/10/532368010.db2.gz QVKMRZTVDVLYKL-CQSZACIVSA-N 1 2 385.555 2.089 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)[C@H](C)C1 ZINC000557537640 532368016 /nfs/dbraw/zinc/36/80/16/532368016.db2.gz QVKMRZTVDVLYKL-CQSZACIVSA-N 1 2 385.555 2.089 20 0 GEADLO O=C(NCc1cc(Br)ccc1F)NCC1([NH+]2CCOCC2)CC1 ZINC000277995856 532368584 /nfs/dbraw/zinc/36/85/84/532368584.db2.gz DENRQQIJPJASPW-UHFFFAOYSA-N 1 2 386.265 2.252 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)c1cncc(Cl)c1)[NH+]1CCOCC1 ZINC000677239076 532369779 /nfs/dbraw/zinc/36/97/79/532369779.db2.gz OAUKUOJCKXYEBP-INIZCTEOSA-N 1 2 375.922 2.150 20 0 GEADLO COc1cc(NC(=O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c(OC)cc1Cl ZINC000463234763 532370273 /nfs/dbraw/zinc/37/02/73/532370273.db2.gz VNCBAJJYFODMJZ-JTQLQIEISA-N 1 2 378.803 2.245 20 0 GEADLO COc1cc(NC(=O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)c(OC)cc1Cl ZINC000463234763 532370278 /nfs/dbraw/zinc/37/02/78/532370278.db2.gz VNCBAJJYFODMJZ-JTQLQIEISA-N 1 2 378.803 2.245 20 0 GEADLO CCc1sc(-c2nnc(C[NH+]3CCC(CS(N)(=O)=O)CC3)o2)cc1C ZINC000677711043 532380345 /nfs/dbraw/zinc/38/03/45/532380345.db2.gz FUKLURVKTIUDBG-UHFFFAOYSA-N 1 2 384.527 2.169 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000677679679 532381329 /nfs/dbraw/zinc/38/13/29/532381329.db2.gz VKYSEOCHKWMNLZ-OAHLLOKOSA-N 1 2 384.929 2.313 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000677679679 532381337 /nfs/dbraw/zinc/38/13/37/532381337.db2.gz VKYSEOCHKWMNLZ-OAHLLOKOSA-N 1 2 384.929 2.313 20 0 GEADLO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623299445 532386113 /nfs/dbraw/zinc/38/61/13/532386113.db2.gz YKSDLHIHCLSLMW-NHYWBVRUSA-N 1 2 376.869 2.471 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000623301618 532386474 /nfs/dbraw/zinc/38/64/74/532386474.db2.gz PQGSGXWCBTWEED-CQSZACIVSA-N 1 2 388.265 2.378 20 0 GEADLO O=C(C[N@H+]1CCc2c(Br)cccc2C1)N1CCOC[C@@H]1C1CC1 ZINC000677982417 532390250 /nfs/dbraw/zinc/39/02/50/532390250.db2.gz PZPTVTBIDBUSSK-QGZVFWFLSA-N 1 2 379.298 2.445 20 0 GEADLO O=C(C[N@@H+]1CCc2c(Br)cccc2C1)N1CCOC[C@@H]1C1CC1 ZINC000677982417 532390253 /nfs/dbraw/zinc/39/02/53/532390253.db2.gz PZPTVTBIDBUSSK-QGZVFWFLSA-N 1 2 379.298 2.445 20 0 GEADLO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623926089 532391676 /nfs/dbraw/zinc/39/16/76/532391676.db2.gz YEVZCWZECNFBSU-WCQYABFASA-N 1 2 386.290 2.149 20 0 GEADLO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623926089 532391690 /nfs/dbraw/zinc/39/16/90/532391690.db2.gz YEVZCWZECNFBSU-WCQYABFASA-N 1 2 386.290 2.149 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)ncc1Cl ZINC000279261308 532392039 /nfs/dbraw/zinc/39/20/39/532392039.db2.gz IFHNWTHPUIOUGA-SNVBAGLBSA-N 1 2 376.682 2.290 20 0 GEADLO CC(C)N(CCS(C)(=O)=O)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000372443211 532392323 /nfs/dbraw/zinc/39/23/23/532392323.db2.gz IZTGFHKRKSARPX-UHFFFAOYSA-N 1 2 387.571 2.177 20 0 GEADLO O=C(c1cccc(Br)c1O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000558721139 532398227 /nfs/dbraw/zinc/39/82/27/532398227.db2.gz SDHZNDAQGWCETD-CYBMUJFWSA-N 1 2 383.286 2.339 20 0 GEADLO CS(=O)(=O)C1(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000279696937 532398496 /nfs/dbraw/zinc/39/84/96/532398496.db2.gz QPDFERJPZIVRFO-UHFFFAOYSA-N 1 2 375.281 2.241 20 0 GEADLO COCCC[N@H+](Cc1ccc(C(=O)OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000295004839 532395856 /nfs/dbraw/zinc/39/58/56/532395856.db2.gz SDPWXXPKBSNNBO-AWEZNQCLSA-N 1 2 389.901 2.152 20 0 GEADLO COCCC[N@@H+](Cc1ccc(C(=O)OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000295004839 532395862 /nfs/dbraw/zinc/39/58/62/532395862.db2.gz SDPWXXPKBSNNBO-AWEZNQCLSA-N 1 2 389.901 2.152 20 0 GEADLO COC(=O)c1cc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cs1 ZINC000591026380 532396428 /nfs/dbraw/zinc/39/64/28/532396428.db2.gz AOCCILDCENHDCP-HNNXBMFYSA-N 1 2 386.539 2.361 20 0 GEADLO COC(=O)c1cc(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cs1 ZINC000591026380 532396434 /nfs/dbraw/zinc/39/64/34/532396434.db2.gz AOCCILDCENHDCP-HNNXBMFYSA-N 1 2 386.539 2.361 20 0 GEADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cc(=O)n3cc(Br)ccc3n2)n1 ZINC000516918014 532397169 /nfs/dbraw/zinc/39/71/69/532397169.db2.gz CRVRJRQXRWFHGZ-CYBMUJFWSA-N 1 2 390.241 2.486 20 0 GEADLO Cc1noc([C@H]2CCC[N@H+]2Cc2cc(=O)n3cc(Br)ccc3n2)n1 ZINC000516918014 532397182 /nfs/dbraw/zinc/39/71/82/532397182.db2.gz CRVRJRQXRWFHGZ-CYBMUJFWSA-N 1 2 390.241 2.486 20 0 GEADLO CS(=O)(=O)C1(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000279736135 532401103 /nfs/dbraw/zinc/40/11/03/532401103.db2.gz WQLQETIXNFXUKW-UHFFFAOYSA-N 1 2 375.281 2.241 20 0 GEADLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000678756102 532401214 /nfs/dbraw/zinc/40/12/14/532401214.db2.gz UFZJYMCPIBYEHW-VIFPVBQESA-N 1 2 380.246 2.393 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(CCNc2nc[nH+]c(N)c2Cl)s1 ZINC000192304307 532401432 /nfs/dbraw/zinc/40/14/32/532401432.db2.gz OETUYXMBRKPTOW-UHFFFAOYSA-N 1 2 389.934 2.459 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(CCNc2[nH+]cnc(N)c2Cl)s1 ZINC000192304307 532401434 /nfs/dbraw/zinc/40/14/34/532401434.db2.gz OETUYXMBRKPTOW-UHFFFAOYSA-N 1 2 389.934 2.459 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000426016749 532402093 /nfs/dbraw/zinc/40/20/93/532402093.db2.gz YMUWZQIDCLSTPD-UHFFFAOYSA-N 1 2 387.311 2.127 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000679439628 532403987 /nfs/dbraw/zinc/40/39/87/532403987.db2.gz DUCPXGWDOYKOTM-AWEZNQCLSA-N 1 2 379.309 2.230 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464800487 532406887 /nfs/dbraw/zinc/40/68/87/532406887.db2.gz WIQHODGGMCCEKN-SJCJKPOMSA-N 1 2 380.286 2.378 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464800487 532406892 /nfs/dbraw/zinc/40/68/92/532406892.db2.gz WIQHODGGMCCEKN-SJCJKPOMSA-N 1 2 380.286 2.378 20 0 GEADLO O=C(C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)Nc1nc(-c2cccs2)cs1 ZINC000464800636 532406159 /nfs/dbraw/zinc/40/61/59/532406159.db2.gz FXZPEQIELOBCSS-KRWDZBQOSA-N 1 2 376.507 2.412 20 0 GEADLO C[C@H](Cc1cccc(Br)c1)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000517114420 532406163 /nfs/dbraw/zinc/40/61/63/532406163.db2.gz NIOOKPYPZUSIRW-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](Cc1cccc(Br)c1)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000517114420 532406172 /nfs/dbraw/zinc/40/61/72/532406172.db2.gz NIOOKPYPZUSIRW-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO O=C(C[N@H+]1CCC[C@]2(CNC(=O)C2)C1)Nc1nc(-c2cccs2)cs1 ZINC000464800636 532406169 /nfs/dbraw/zinc/40/61/69/532406169.db2.gz FXZPEQIELOBCSS-KRWDZBQOSA-N 1 2 376.507 2.412 20 0 GEADLO CCSCC[C@@H](C)[N@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000464861312 532406504 /nfs/dbraw/zinc/40/65/04/532406504.db2.gz SYWIIEOHCGZIEO-WBVHZDCISA-N 1 2 390.615 2.408 20 0 GEADLO CCSCC[C@@H](C)[N@@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000464861312 532406509 /nfs/dbraw/zinc/40/65/09/532406509.db2.gz SYWIIEOHCGZIEO-WBVHZDCISA-N 1 2 390.615 2.408 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cc(Br)c(F)cc1F)CC2 ZINC000372792395 532409847 /nfs/dbraw/zinc/40/98/47/532409847.db2.gz FNVYSWFQOKOMQY-UHFFFAOYSA-N 1 2 399.195 2.213 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1F)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000560039398 532410097 /nfs/dbraw/zinc/41/00/97/532410097.db2.gz VGEVWZCTPXNLPL-AWEZNQCLSA-N 1 2 376.881 2.355 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000427048296 532410367 /nfs/dbraw/zinc/41/03/67/532410367.db2.gz CYIQJEFIWCNFIA-GFCCVEGCSA-N 1 2 391.269 2.332 20 0 GEADLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@]2(CCOC2)O1 ZINC000280244170 532408879 /nfs/dbraw/zinc/40/88/79/532408879.db2.gz BAYFSZQSJFEQLC-BONVTDFDSA-N 1 2 384.230 2.472 20 0 GEADLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@]2(CCOC2)O1 ZINC000280244170 532408885 /nfs/dbraw/zinc/40/88/85/532408885.db2.gz BAYFSZQSJFEQLC-BONVTDFDSA-N 1 2 384.230 2.472 20 0 GEADLO C[C@H]1C[C@@H]1CNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000591433172 532411471 /nfs/dbraw/zinc/41/14/71/532411471.db2.gz MOEKFOFKKHHRLJ-DZGCQCFKSA-N 1 2 398.320 2.478 20 0 GEADLO CCO[C@@H](CS(=O)(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000625146413 532412931 /nfs/dbraw/zinc/41/29/31/532412931.db2.gz STISYCYUVZPALP-SFHVURJKSA-N 1 2 386.945 2.433 20 0 GEADLO CCO[C@@H](CS(=O)(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000625146413 532412938 /nfs/dbraw/zinc/41/29/38/532412938.db2.gz STISYCYUVZPALP-SFHVURJKSA-N 1 2 386.945 2.433 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000560115419 532416711 /nfs/dbraw/zinc/41/67/11/532416711.db2.gz SFTVXBYUJQSXST-WBMJQRKESA-N 1 2 397.317 2.315 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000560115419 532416718 /nfs/dbraw/zinc/41/67/18/532416718.db2.gz SFTVXBYUJQSXST-WBMJQRKESA-N 1 2 397.317 2.315 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccccc1Br)[C@H]1CCc2[nH+]ccn2C1 ZINC000372874024 532415975 /nfs/dbraw/zinc/41/59/75/532415975.db2.gz VJLQKOQZKWYMON-HIFRSBDPSA-N 1 2 392.297 2.175 20 0 GEADLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000295206818 532419913 /nfs/dbraw/zinc/41/99/13/532419913.db2.gz OLWXWTZBYUUZMQ-UHFFFAOYSA-N 1 2 378.376 2.144 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000427468915 532424776 /nfs/dbraw/zinc/42/47/76/532424776.db2.gz IAROLZGSKVOONP-AWEZNQCLSA-N 1 2 391.269 2.322 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000295254109 532425911 /nfs/dbraw/zinc/42/59/11/532425911.db2.gz XDWSRUZHTDBNEU-GFCCVEGCSA-N 1 2 385.580 2.422 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000295254109 532425916 /nfs/dbraw/zinc/42/59/16/532425916.db2.gz XDWSRUZHTDBNEU-GFCCVEGCSA-N 1 2 385.580 2.422 20 0 GEADLO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(Br)cc2)[C@@H]2COC[C@H]2O1 ZINC000649909301 532430183 /nfs/dbraw/zinc/43/01/83/532430183.db2.gz HJBJFFAKGJXVRL-FVQBIDKESA-N 1 2 386.286 2.067 20 0 GEADLO CC1(C)C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)[C@@H]2COC[C@H]2O1 ZINC000649909301 532430187 /nfs/dbraw/zinc/43/01/87/532430187.db2.gz HJBJFFAKGJXVRL-FVQBIDKESA-N 1 2 386.286 2.067 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)CCc3ccccc3Br)CC2)cn1 ZINC000517991267 532431887 /nfs/dbraw/zinc/43/18/87/532431887.db2.gz XIWNZZYRWPPWJU-UHFFFAOYSA-N 1 2 391.313 2.460 20 0 GEADLO Cc1cc(Br)cc2c1CN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)CC2 ZINC000561210694 532432067 /nfs/dbraw/zinc/43/20/67/532432067.db2.gz TZCNLRSJCGUUNO-CQSZACIVSA-N 1 2 380.330 2.278 20 0 GEADLO Nc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c[nH+]1 ZINC000373087713 532432571 /nfs/dbraw/zinc/43/25/71/532432571.db2.gz LTTDBCOCRMWXQM-SNVBAGLBSA-N 1 2 386.886 2.171 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Nc2c(F)cc(Cl)cc2F)CC1 ZINC000650114396 532437291 /nfs/dbraw/zinc/43/72/91/532437291.db2.gz UNRCGEIFJIZZJI-UHFFFAOYSA-N 1 2 377.819 2.431 20 0 GEADLO COc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1I ZINC000428001836 532439221 /nfs/dbraw/zinc/43/92/21/532439221.db2.gz TUYXQAHYDQSDNM-NSHDSACASA-N 1 2 397.216 2.241 20 0 GEADLO CO[C@H]1C[C@@H](CNC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000626584003 532440220 /nfs/dbraw/zinc/44/02/20/532440220.db2.gz ZGPCYILDHDKRCO-TXEJJXNPSA-N 1 2 399.289 2.227 20 0 GEADLO CCc1[nH]nc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1Br ZINC000518475223 532442372 /nfs/dbraw/zinc/44/23/72/532442372.db2.gz PRCBMUATRWFPOH-ZDUSSCGKSA-N 1 2 399.333 2.452 20 0 GEADLO CC[C@H](CSC)NC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000561665941 532446518 /nfs/dbraw/zinc/44/65/18/532446518.db2.gz YKZXCOZZXCBGQO-CQSZACIVSA-N 1 2 383.945 2.072 20 0 GEADLO CC[C@H](CSC)NC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000561665941 532446525 /nfs/dbraw/zinc/44/65/25/532446525.db2.gz YKZXCOZZXCBGQO-CQSZACIVSA-N 1 2 383.945 2.072 20 0 GEADLO CC1=CC[N@H+](CCNc2c(F)cc(S(N)(=O)=O)cc2Br)CC1 ZINC000428214646 532447999 /nfs/dbraw/zinc/44/79/99/532447999.db2.gz DZJNLJJZGIOTTL-UHFFFAOYSA-N 1 2 392.294 2.300 20 0 GEADLO CC1=CC[N@@H+](CCNc2c(F)cc(S(N)(=O)=O)cc2Br)CC1 ZINC000428214646 532448005 /nfs/dbraw/zinc/44/80/05/532448005.db2.gz DZJNLJJZGIOTTL-UHFFFAOYSA-N 1 2 392.294 2.300 20 0 GEADLO NC(=O)C1(O)CC[NH+](Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000295475693 532450942 /nfs/dbraw/zinc/45/09/42/532450942.db2.gz YIHNNFZBXXTTTO-UHFFFAOYSA-N 1 2 381.885 2.188 20 0 GEADLO COC(=O)C(C)(C)N1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000428415443 532451735 /nfs/dbraw/zinc/45/17/35/532451735.db2.gz VWBOTDNCBQPTFD-UHFFFAOYSA-N 1 2 395.301 2.166 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000467936440 532457440 /nfs/dbraw/zinc/45/74/40/532457440.db2.gz CJEDMWHZYABXMH-LLVKDONJSA-N 1 2 379.265 2.082 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)c2ccccc2Br)CC1 ZINC000561832887 532453304 /nfs/dbraw/zinc/45/33/04/532453304.db2.gz SOPWRFCXUOJXSL-UHFFFAOYSA-N 1 2 396.329 2.007 20 0 GEADLO Cn1cc(Br)c(CNC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)n1 ZINC000519180545 532458928 /nfs/dbraw/zinc/45/89/28/532458928.db2.gz VUOMONQHZRERCR-QMMMGPOBSA-N 1 2 394.195 2.269 20 0 GEADLO NS(=O)(=O)CCCCNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000519188433 532459766 /nfs/dbraw/zinc/45/97/66/532459766.db2.gz QTAWRAZERDJQHH-UHFFFAOYSA-N 1 2 376.251 2.039 20 0 GEADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(Br)cc1OCCCO ZINC000562377898 532463639 /nfs/dbraw/zinc/46/36/39/532463639.db2.gz HURUVMSOEMDZND-LBPRGKRZSA-N 1 2 396.285 2.364 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cc(Br)c(F)cc1C)CC2 ZINC000373705804 532464078 /nfs/dbraw/zinc/46/40/78/532464078.db2.gz BDJNZFNIWUOWBD-UHFFFAOYSA-N 1 2 395.232 2.382 20 0 GEADLO COC(=O)[C@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)[C@@H]1C ZINC000468528360 532467192 /nfs/dbraw/zinc/46/71/92/532467192.db2.gz MLYINUVVSBASTO-MFKMUULPSA-N 1 2 395.257 2.190 20 0 GEADLO Brc1ccc2c(c1)C=C(C[NH+]1CCN(c3nccnn3)CC1)CO2 ZINC000628387985 532466134 /nfs/dbraw/zinc/46/61/34/532466134.db2.gz FUYIDMLTVRDFLE-UHFFFAOYSA-N 1 2 388.269 2.232 20 0 GEADLO CO[C@H](C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)c1cnn(C)c1 ZINC000282425484 532467040 /nfs/dbraw/zinc/46/70/40/532467040.db2.gz RKKNPOAEZBANSE-AWEZNQCLSA-N 1 2 392.257 2.143 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)NCC(F)(F)F)C1 ZINC000195100878 532469933 /nfs/dbraw/zinc/46/99/33/532469933.db2.gz NSBPCKOMWVYKAZ-CYBMUJFWSA-N 1 2 379.448 2.405 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNS(=O)(=O)NCC(F)(F)F)C1 ZINC000195100878 532469935 /nfs/dbraw/zinc/46/99/35/532469935.db2.gz NSBPCKOMWVYKAZ-CYBMUJFWSA-N 1 2 379.448 2.405 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628683751 532472150 /nfs/dbraw/zinc/47/21/50/532472150.db2.gz XNCUHHSOWIWPFN-GOSISDBHSA-N 1 2 392.297 2.462 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628682907 532472203 /nfs/dbraw/zinc/47/22/03/532472203.db2.gz QOLIZABNUQDJKR-KRWDZBQOSA-N 1 2 378.270 2.141 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628682907 532472206 /nfs/dbraw/zinc/47/22/06/532472206.db2.gz QOLIZABNUQDJKR-KRWDZBQOSA-N 1 2 378.270 2.141 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCCCOc1ccc(Br)cc1 ZINC000628916712 532477531 /nfs/dbraw/zinc/47/75/31/532477531.db2.gz JXSKGHXMZCYUFI-HNNXBMFYSA-N 1 2 385.302 2.445 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCCCOc1ccc(Br)cc1 ZINC000628916712 532477536 /nfs/dbraw/zinc/47/75/36/532477536.db2.gz JXSKGHXMZCYUFI-HNNXBMFYSA-N 1 2 385.302 2.445 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000295796529 532477708 /nfs/dbraw/zinc/47/77/08/532477708.db2.gz RLLJWAHTJSSGFU-UHFFFAOYSA-N 1 2 376.873 2.420 20 0 GEADLO CN(C)S(=O)(=O)N1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000684613006 532480158 /nfs/dbraw/zinc/48/01/58/532480158.db2.gz JVOBQHMMGQPXFB-UHFFFAOYSA-N 1 2 380.341 2.350 20 0 GEADLO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[S@@]1=O ZINC000429599626 532482060 /nfs/dbraw/zinc/48/20/60/532482060.db2.gz SLTXMLPGWIHVNN-HDSUKNQSSA-N 1 2 394.306 2.171 20 0 GEADLO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[S@@]1=O ZINC000429599626 532482063 /nfs/dbraw/zinc/48/20/63/532482063.db2.gz SLTXMLPGWIHVNN-HDSUKNQSSA-N 1 2 394.306 2.171 20 0 GEADLO O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)[C@@H]1COCC[NH2+]1 ZINC000429920359 532484505 /nfs/dbraw/zinc/48/45/05/532484505.db2.gz GLPJTIUWCIXONT-HNNXBMFYSA-N 1 2 382.247 2.130 20 0 GEADLO CCn1cc([C@H](C)[NH2+]Cc2nnnn2-c2ccccc2Br)cn1 ZINC000295887652 532485398 /nfs/dbraw/zinc/48/53/98/532485398.db2.gz CMFNTTFQSVSGQD-NSHDSACASA-N 1 2 376.262 2.492 20 0 GEADLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000295941576 532488809 /nfs/dbraw/zinc/48/88/09/532488809.db2.gz LBSIHBMAEQZCEE-UHFFFAOYSA-N 1 2 379.667 2.052 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000520303116 532489519 /nfs/dbraw/zinc/48/95/19/532489519.db2.gz OAXRXZOKNZZWIX-UHFFFAOYSA-N 1 2 396.669 2.496 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000520354261 532489829 /nfs/dbraw/zinc/48/98/29/532489829.db2.gz JNEFHQMQUQTURG-LLVKDONJSA-N 1 2 377.242 2.184 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2scc(C)c2I)CC1 ZINC000469091605 532490536 /nfs/dbraw/zinc/49/05/36/532490536.db2.gz QWHJISRACGLKHR-UHFFFAOYSA-N 1 2 394.278 2.065 20 0 GEADLO CC(=O)NCC(C)(C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000651728095 532491166 /nfs/dbraw/zinc/49/11/66/532491166.db2.gz KSRSGZZADABWNJ-UHFFFAOYSA-N 1 2 381.274 2.184 20 0 GEADLO O=S(=O)(Cc1cc(Cl)sc1Cl)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000651729085 532491421 /nfs/dbraw/zinc/49/14/21/532491421.db2.gz VKXKBSJIWCJATR-PHIMTYICSA-N 1 2 385.338 2.338 20 0 GEADLO O=S(=O)(Cc1cc(Cl)sc1Cl)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000651729085 532491428 /nfs/dbraw/zinc/49/14/28/532491428.db2.gz VKXKBSJIWCJATR-PHIMTYICSA-N 1 2 385.338 2.338 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccoc1Br ZINC000629435763 532492063 /nfs/dbraw/zinc/49/20/63/532492063.db2.gz ONUJMZWOVQLPTA-ZDUSSCGKSA-N 1 2 380.242 2.068 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccoc1Br ZINC000629435763 532492069 /nfs/dbraw/zinc/49/20/69/532492069.db2.gz ONUJMZWOVQLPTA-ZDUSSCGKSA-N 1 2 380.242 2.068 20 0 GEADLO COC[C@H](C)CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000685496617 532495099 /nfs/dbraw/zinc/49/50/99/532495099.db2.gz LVXVATPWJUZVKM-KBPBESRZSA-N 1 2 376.469 2.131 20 0 GEADLO COC[C@H](C)CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000685496617 532495105 /nfs/dbraw/zinc/49/51/05/532495105.db2.gz LVXVATPWJUZVKM-KBPBESRZSA-N 1 2 376.469 2.131 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCOc1ccc(Cl)cc1Br ZINC000628917612 532476477 /nfs/dbraw/zinc/47/64/77/532476477.db2.gz ANNWUSSWMABZPX-LBPRGKRZSA-N 1 2 391.693 2.318 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCOc1ccc(Cl)cc1Br ZINC000628917612 532476481 /nfs/dbraw/zinc/47/64/81/532476481.db2.gz ANNWUSSWMABZPX-LBPRGKRZSA-N 1 2 391.693 2.318 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000628916796 532476533 /nfs/dbraw/zinc/47/65/33/532476533.db2.gz KHADFOSHWQFFGA-LLVKDONJSA-N 1 2 380.798 2.003 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000628916796 532476537 /nfs/dbraw/zinc/47/65/37/532476537.db2.gz KHADFOSHWQFFGA-LLVKDONJSA-N 1 2 380.798 2.003 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)[nH+]c12 ZINC000469568961 532504968 /nfs/dbraw/zinc/50/49/68/532504968.db2.gz OAYMMYGRZBIXIE-VXGBXAGGSA-N 1 2 393.285 2.313 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)[C@@H]3CCC[C@H](C(N)=O)C3)[nH+]c12 ZINC000469568959 532505312 /nfs/dbraw/zinc/50/53/12/532505312.db2.gz OAYMMYGRZBIXIE-NWDGAFQWSA-N 1 2 393.285 2.313 20 0 GEADLO CC[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000296262371 532509309 /nfs/dbraw/zinc/50/93/09/532509309.db2.gz DJCZXJAMAGZOSY-CYBMUJFWSA-N 1 2 383.905 2.485 20 0 GEADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000521321987 532511815 /nfs/dbraw/zinc/51/18/15/532511815.db2.gz RWICVZXMAVLWDQ-NSHDSACASA-N 1 2 388.281 2.222 20 0 GEADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000521321987 532511818 /nfs/dbraw/zinc/51/18/18/532511818.db2.gz RWICVZXMAVLWDQ-NSHDSACASA-N 1 2 388.281 2.222 20 0 GEADLO Cn1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cn1 ZINC000521349931 532512482 /nfs/dbraw/zinc/51/24/82/532512482.db2.gz HKFIXEOQBBDCEM-INIZCTEOSA-N 1 2 382.917 2.407 20 0 GEADLO Cn1cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cn1 ZINC000521349931 532512485 /nfs/dbraw/zinc/51/24/85/532512485.db2.gz HKFIXEOQBBDCEM-INIZCTEOSA-N 1 2 382.917 2.407 20 0 GEADLO CCNc1nc(N[C@@H](C)c2ncc(Br)cn2)nc(NC(C)(C)C)[nH+]1 ZINC000431507278 532515067 /nfs/dbraw/zinc/51/50/67/532515067.db2.gz RXDGJCOHFYVFGB-VIFPVBQESA-N 1 2 395.309 2.083 20 0 GEADLO CCNc1nc(NC(C)(C)C)nc(N[C@@H](C)c2ncc(Br)cn2)[nH+]1 ZINC000431507278 532515068 /nfs/dbraw/zinc/51/50/68/532515068.db2.gz RXDGJCOHFYVFGB-VIFPVBQESA-N 1 2 395.309 2.083 20 0 GEADLO CCNc1nc(N[C@@H](C)c2ncc(Br)cn2)[nH+]c(NC(C)(C)C)n1 ZINC000431507278 532515070 /nfs/dbraw/zinc/51/50/70/532515070.db2.gz RXDGJCOHFYVFGB-VIFPVBQESA-N 1 2 395.309 2.083 20 0 GEADLO Ic1cccc(-n2cc(C[NH+]3CCSCC3)nn2)c1 ZINC000594645390 532517294 /nfs/dbraw/zinc/51/72/94/532517294.db2.gz OGLYUQGUBFRVQF-UHFFFAOYSA-N 1 2 386.262 2.421 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374310762 532497423 /nfs/dbraw/zinc/49/74/23/532497423.db2.gz AMFYUNFPPYUSSY-AWEZNQCLSA-N 1 2 394.244 2.404 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3C[C@@H](O)C3(C)C)[nH+]c12 ZINC000430327856 532497684 /nfs/dbraw/zinc/49/76/84/532497684.db2.gz XVNIJBMXJXXZTQ-UONOGXRCSA-N 1 2 395.301 2.406 20 0 GEADLO Cc1ncsc1CNC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000563311048 532498620 /nfs/dbraw/zinc/49/86/20/532498620.db2.gz PMARHKSUTBSXIX-CQSZACIVSA-N 1 2 380.901 2.140 20 0 GEADLO O=C(N1CC[NH2+][C@H](c2ccncc2)C1)C1(c2cncc(Br)c2)CC1 ZINC000374379179 532498918 /nfs/dbraw/zinc/49/89/18/532498918.db2.gz VLEQEFWBEHHDQX-INIZCTEOSA-N 1 2 387.281 2.444 20 0 GEADLO COC1(CO)CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000685845140 532499628 /nfs/dbraw/zinc/49/96/28/532499628.db2.gz XPPXPRJKFZKGQV-UHFFFAOYSA-N 1 2 381.274 2.003 20 0 GEADLO CC(C)n1cc(C[N@@H+]2CCCN(S(=O)(=O)CCC(F)(F)F)CC2)cn1 ZINC000375128086 532536027 /nfs/dbraw/zinc/53/60/27/532536027.db2.gz DCXDNWPNGXSCFL-UHFFFAOYSA-N 1 2 382.452 2.254 20 0 GEADLO CC(C)n1cc(C[N@H+]2CCCN(S(=O)(=O)CCC(F)(F)F)CC2)cn1 ZINC000375128086 532536032 /nfs/dbraw/zinc/53/60/32/532536032.db2.gz DCXDNWPNGXSCFL-UHFFFAOYSA-N 1 2 382.452 2.254 20 0 GEADLO COc1ccc([C@H](NS(=O)(=O)CCC(F)(F)F)c2[nH+]ccn2C)cc1 ZINC000375130794 532536186 /nfs/dbraw/zinc/53/61/86/532536186.db2.gz JFWVPUULHALUFX-ZDUSSCGKSA-N 1 2 377.388 2.390 20 0 GEADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CSc1[nH+]cc2ccccn21 ZINC000470822135 532536607 /nfs/dbraw/zinc/53/66/07/532536607.db2.gz RUOOXOCSKYQXEU-UHFFFAOYSA-N 1 2 376.463 2.021 20 0 GEADLO O=C1N=NCN1C1CC[NH+](Cc2cn3cc(Br)ccc3n2)CC1 ZINC000653652982 532538648 /nfs/dbraw/zinc/53/86/48/532538648.db2.gz GMSVBRZQOFRIJI-UHFFFAOYSA-N 1 2 377.246 2.231 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)n1 ZINC000470939265 532539157 /nfs/dbraw/zinc/53/91/57/532539157.db2.gz DESCHSXWTDXWKN-KOLCDFICSA-N 1 2 379.404 2.460 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)n1 ZINC000470939265 532539161 /nfs/dbraw/zinc/53/91/61/532539161.db2.gz DESCHSXWTDXWKN-KOLCDFICSA-N 1 2 379.404 2.460 20 0 GEADLO CN(CC1(O)CCC1)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000653698526 532540850 /nfs/dbraw/zinc/54/08/50/532540850.db2.gz NTDXYNWQVOPNGU-UHFFFAOYSA-N 1 2 399.289 2.059 20 0 GEADLO CC[C@@H]([NH2+]Cc1ncc(Br)cc1Cl)C(=O)N1CCOCC1 ZINC000631086209 532541707 /nfs/dbraw/zinc/54/17/07/532541707.db2.gz OZAUVGRSTFNZMO-GFCCVEGCSA-N 1 2 376.682 2.225 20 0 GEADLO O=c1n(CC[N@@H+]2CCOc3cccc(Br)c3C2)nc2ccccn21 ZINC000653836799 532542478 /nfs/dbraw/zinc/54/24/78/532542478.db2.gz JVMOPFRFYFSKGE-UHFFFAOYSA-N 1 2 389.253 2.153 20 0 GEADLO O=c1n(CC[N@H+]2CCOc3cccc(Br)c3C2)nc2ccccn21 ZINC000653836799 532542485 /nfs/dbraw/zinc/54/24/85/532542485.db2.gz JVMOPFRFYFSKGE-UHFFFAOYSA-N 1 2 389.253 2.153 20 0 GEADLO COc1ccc(Br)cc1C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631065576 532543100 /nfs/dbraw/zinc/54/31/00/532543100.db2.gz XMWVESVOOXZLES-GFCCVEGCSA-N 1 2 381.274 2.376 20 0 GEADLO NC(=O)[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1cccc(Br)c1 ZINC000526990811 532543608 /nfs/dbraw/zinc/54/36/08/532543608.db2.gz MROIPWYVAXCCTD-HNNXBMFYSA-N 1 2 390.285 2.156 20 0 GEADLO C[C@@](CO)([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1ccc(Br)cc1 ZINC000631133545 532544193 /nfs/dbraw/zinc/54/41/93/532544193.db2.gz KCLSJCXQEFWFGI-GUYCJALGSA-N 1 2 395.301 2.074 20 0 GEADLO COC(=O)[C@]1(C)CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000471183388 532544379 /nfs/dbraw/zinc/54/43/79/532544379.db2.gz XLCZPHIEACLOEL-MRXNPFEDSA-N 1 2 395.257 2.191 20 0 GEADLO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000246899240 532544444 /nfs/dbraw/zinc/54/44/44/532544444.db2.gz GWNRXUVRVTXVPD-ZBFHGGJFSA-N 1 2 381.929 2.154 20 0 GEADLO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000246899240 532544449 /nfs/dbraw/zinc/54/44/49/532544449.db2.gz GWNRXUVRVTXVPD-ZBFHGGJFSA-N 1 2 381.929 2.154 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)NCCCSc1ccccc1 ZINC000471198852 532544767 /nfs/dbraw/zinc/54/47/67/532544767.db2.gz IPQSZJCYECLJDF-HNNXBMFYSA-N 1 2 382.551 2.266 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)NCCCSc1ccccc1 ZINC000471198852 532544770 /nfs/dbraw/zinc/54/47/70/532544770.db2.gz IPQSZJCYECLJDF-HNNXBMFYSA-N 1 2 382.551 2.266 20 0 GEADLO O=C(CSc1n[nH]c(=O)[nH]1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652871913 532523873 /nfs/dbraw/zinc/52/38/73/532523873.db2.gz ZCWYARXZIOQSSR-UHFFFAOYSA-N 1 2 379.511 2.429 20 0 GEADLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1c(F)cncc1Br ZINC000630624109 532524446 /nfs/dbraw/zinc/52/44/46/532524446.db2.gz CENNSVOSPXANQV-UHFFFAOYSA-N 1 2 395.232 2.145 20 0 GEADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000523894209 532526697 /nfs/dbraw/zinc/52/66/97/532526697.db2.gz TVIOSTKUBJTUDP-LLVKDONJSA-N 1 2 384.307 2.464 20 0 GEADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000523894209 532526703 /nfs/dbraw/zinc/52/67/03/532526703.db2.gz TVIOSTKUBJTUDP-LLVKDONJSA-N 1 2 384.307 2.464 20 0 GEADLO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283250011 532527809 /nfs/dbraw/zinc/52/78/09/532527809.db2.gz LVWAFGVPDCTAEP-UHFFFAOYSA-N 1 2 393.285 2.201 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)[C@H](C)Oc2cccc(Br)c2)CCO1 ZINC000470451822 532528924 /nfs/dbraw/zinc/52/89/24/532528924.db2.gz NMFRXMKQNXKDIE-DZGCQCFKSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@H](C)Oc2cccc(Br)c2)CCO1 ZINC000470451822 532528927 /nfs/dbraw/zinc/52/89/27/532528927.db2.gz NMFRXMKQNXKDIE-DZGCQCFKSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(OC)c(Br)s2)CCO1 ZINC000470445606 532528981 /nfs/dbraw/zinc/52/89/81/532528981.db2.gz WVUWCGLPLONWKQ-SNVBAGLBSA-N 1 2 377.304 2.360 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(OC)c(Br)s2)CCO1 ZINC000470445606 532528987 /nfs/dbraw/zinc/52/89/87/532528987.db2.gz WVUWCGLPLONWKQ-SNVBAGLBSA-N 1 2 377.304 2.360 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)[C@@H](C)Oc2ccccc2Br)CCO1 ZINC000470451848 532529340 /nfs/dbraw/zinc/52/93/40/532529340.db2.gz NQRSPCXDCZKLJL-ZIAGYGMSSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C)Oc2ccccc2Br)CCO1 ZINC000470451848 532529348 /nfs/dbraw/zinc/52/93/48/532529348.db2.gz NQRSPCXDCZKLJL-ZIAGYGMSSA-N 1 2 385.302 2.443 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCCn2cc(Br)cn2)CC1(C)C ZINC000296588603 532530057 /nfs/dbraw/zinc/53/00/57/532530057.db2.gz KCQYLMDBVNMQGF-LBPRGKRZSA-N 1 2 381.278 2.172 20 0 GEADLO CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H](C)CS(C)(=O)=O ZINC000564751625 532531330 /nfs/dbraw/zinc/53/13/30/532531330.db2.gz WMTGWMXJYFRJGJ-CZUORRHYSA-N 1 2 389.949 2.407 20 0 GEADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)CCC(F)(F)F)CC2)oc1C ZINC000375102947 532532937 /nfs/dbraw/zinc/53/29/37/532532937.db2.gz CNHKMOYCQOBFES-UHFFFAOYSA-N 1 2 383.436 2.375 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000470594714 532532941 /nfs/dbraw/zinc/53/29/41/532532941.db2.gz GZGPLYDCPFTKNK-ZDUSSCGKSA-N 1 2 380.432 2.248 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CCO1 ZINC000630879939 532533077 /nfs/dbraw/zinc/53/30/77/532533077.db2.gz OVDSGKWRQRTXHY-KLWIRTJPSA-N 1 2 379.298 2.172 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CCO1 ZINC000630879939 532533082 /nfs/dbraw/zinc/53/30/82/532533082.db2.gz OVDSGKWRQRTXHY-KLWIRTJPSA-N 1 2 379.298 2.172 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000375106011 532534522 /nfs/dbraw/zinc/53/45/22/532534522.db2.gz POSWWVLYCNUCIO-UHFFFAOYSA-N 1 2 383.857 2.349 20 0 GEADLO Cc1cc(N2CC[NH+](C[C@H](O)c3ccc(F)c(Br)c3)CC2)n[nH]1 ZINC000375346503 532550092 /nfs/dbraw/zinc/55/00/92/532550092.db2.gz ZJBRHIFUZMKHIX-HNNXBMFYSA-N 1 2 383.265 2.475 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)CCOCC(F)F)c2ccc(Cl)cc2)C1 ZINC000249627369 532569626 /nfs/dbraw/zinc/56/96/26/532569626.db2.gz QICMGZAWOLCKQF-YOEHRIQHSA-N 1 2 376.831 2.500 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)CCOCC(F)F)c2ccc(Cl)cc2)C1 ZINC000249627369 532569629 /nfs/dbraw/zinc/56/96/29/532569629.db2.gz QICMGZAWOLCKQF-YOEHRIQHSA-N 1 2 376.831 2.500 20 0 GEADLO C[C@@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1ncc(Br)cn1 ZINC000432981517 532552301 /nfs/dbraw/zinc/55/23/01/532552301.db2.gz AEKSTFQSEZDVDP-GFCCVEGCSA-N 1 2 375.270 2.475 20 0 GEADLO COC(=O)CCN1CC[C@H]([N@H+](C)Cc2csc(Br)c2)C1=O ZINC000595294389 532552581 /nfs/dbraw/zinc/55/25/81/532552581.db2.gz LYCPAQKKCLJKAD-NSHDSACASA-N 1 2 375.288 2.106 20 0 GEADLO COC(=O)CCN1CC[C@H]([N@@H+](C)Cc2csc(Br)c2)C1=O ZINC000595294389 532552586 /nfs/dbraw/zinc/55/25/86/532552586.db2.gz LYCPAQKKCLJKAD-NSHDSACASA-N 1 2 375.288 2.106 20 0 GEADLO Cc1nnc2n1C[C@@H](C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)CC2 ZINC000654182211 532552526 /nfs/dbraw/zinc/55/25/26/532552526.db2.gz LQYMNQTZWLCAAY-JTQLQIEISA-N 1 2 379.262 2.011 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2cc(Br)cn2C)cn1 ZINC000565272735 532554844 /nfs/dbraw/zinc/55/48/44/532554844.db2.gz XDNPVHWGKVBSQS-UHFFFAOYSA-N 1 2 391.273 2.060 20 0 GEADLO CCN1C[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1=O ZINC000565287541 532555790 /nfs/dbraw/zinc/55/57/90/532555790.db2.gz KTRZPRHXAQXGOC-DOTOQJQBSA-N 1 2 394.313 2.323 20 0 GEADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000433130609 532555884 /nfs/dbraw/zinc/55/58/84/532555884.db2.gz AUMGYFWNZULYRX-MHLYXQECSA-N 1 2 394.306 2.171 20 0 GEADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000433130609 532555892 /nfs/dbraw/zinc/55/58/92/532555892.db2.gz AUMGYFWNZULYRX-MHLYXQECSA-N 1 2 394.306 2.171 20 0 GEADLO Cn1ncc(Br)c1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000631683475 532556118 /nfs/dbraw/zinc/55/61/18/532556118.db2.gz HAQMHYDAABWWNT-GFCCVEGCSA-N 1 2 388.262 2.330 20 0 GEADLO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000471738421 532556651 /nfs/dbraw/zinc/55/66/51/532556651.db2.gz RLNKYZOJVJURGS-UMVBOHGHSA-N 1 2 381.464 2.177 20 0 GEADLO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000471738418 532556961 /nfs/dbraw/zinc/55/69/61/532556961.db2.gz RLNKYZOJVJURGS-IPYPFGDCSA-N 1 2 381.464 2.177 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)NCc1ncccc1O ZINC000471715234 532557180 /nfs/dbraw/zinc/55/71/80/532557180.db2.gz JYVRBYRKIMBPCL-UHFFFAOYSA-N 1 2 376.214 2.197 20 0 GEADLO C[C@H](CNS(=O)(=O)CCC(C)(F)F)[NH+]1CCN(c2ccccc2)CC1 ZINC000631743391 532557830 /nfs/dbraw/zinc/55/78/30/532557830.db2.gz TXLPLRREGPLAIL-OAHLLOKOSA-N 1 2 375.485 2.162 20 0 GEADLO COc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)cc(I)c1OC ZINC000471801391 532558177 /nfs/dbraw/zinc/55/81/77/532558177.db2.gz ZXBYPTVHFPYASG-ONGXEEELSA-N 1 2 377.222 2.264 20 0 GEADLO COc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)cc(I)c1OC ZINC000471801391 532558180 /nfs/dbraw/zinc/55/81/80/532558180.db2.gz ZXBYPTVHFPYASG-ONGXEEELSA-N 1 2 377.222 2.264 20 0 GEADLO Cc1sc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1CS(C)(=O)=O ZINC000471800540 532558378 /nfs/dbraw/zinc/55/83/78/532558378.db2.gz WBTBGPBFMMOZGK-UHFFFAOYSA-N 1 2 377.491 2.487 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000249095886 532560372 /nfs/dbraw/zinc/56/03/72/532560372.db2.gz UBJFDKXGSGRARH-ZIAGYGMSSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000249095886 532560379 /nfs/dbraw/zinc/56/03/79/532560379.db2.gz UBJFDKXGSGRARH-ZIAGYGMSSA-N 1 2 376.469 2.398 20 0 GEADLO C[C@@H](OCC1CC1)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000654483974 532562752 /nfs/dbraw/zinc/56/27/52/532562752.db2.gz DNMDDTUIMIOUPW-LLVKDONJSA-N 1 2 384.274 2.434 20 0 GEADLO CC1(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCOCC1 ZINC000654483990 532562962 /nfs/dbraw/zinc/56/29/62/532562962.db2.gz GVLAWZILCJFXNY-UHFFFAOYSA-N 1 2 384.274 2.436 20 0 GEADLO O=C(c1cc2sccc2s1)N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528403929 532564536 /nfs/dbraw/zinc/56/45/36/532564536.db2.gz MWEKELFANHQCSW-CYBMUJFWSA-N 1 2 380.535 2.387 20 0 GEADLO NC(=O)[C@@H]1C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C[C@H]1C(F)(F)F ZINC000375519624 532565288 /nfs/dbraw/zinc/56/52/88/532565288.db2.gz PVMGTAYUYLOLNX-RKDXNWHRSA-N 1 2 391.191 2.421 20 0 GEADLO NC(=O)[C@@H]1C[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C[C@H]1C(F)(F)F ZINC000375519624 532565290 /nfs/dbraw/zinc/56/52/90/532565290.db2.gz PVMGTAYUYLOLNX-RKDXNWHRSA-N 1 2 391.191 2.421 20 0 GEADLO NC(=O)[C@@H]1C[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C[C@H]1C(F)(F)F ZINC000375519624 532565294 /nfs/dbraw/zinc/56/52/94/532565294.db2.gz PVMGTAYUYLOLNX-RKDXNWHRSA-N 1 2 391.191 2.421 20 0 GEADLO NC(=O)[C@@H]1C[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C[C@H]1C(F)(F)F ZINC000375519624 532565299 /nfs/dbraw/zinc/56/52/99/532565299.db2.gz PVMGTAYUYLOLNX-RKDXNWHRSA-N 1 2 391.191 2.421 20 0 GEADLO Cc1c[nH+]ccc1CCSc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000565475012 532565479 /nfs/dbraw/zinc/56/54/79/532565479.db2.gz HICMFZYIRHNAIS-UHFFFAOYSA-N 1 2 379.507 2.141 20 0 GEADLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Br)cnc1OC ZINC000595442626 532565727 /nfs/dbraw/zinc/56/57/27/532565727.db2.gz VVCTWLAVSUMYMY-UONOGXRCSA-N 1 2 387.274 2.395 20 0 GEADLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Br)cnc1OC ZINC000595442626 532565730 /nfs/dbraw/zinc/56/57/30/532565730.db2.gz VVCTWLAVSUMYMY-UONOGXRCSA-N 1 2 387.274 2.395 20 0 GEADLO C[C@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1nc(-c2ccccc2)cs1 ZINC000631918415 532566456 /nfs/dbraw/zinc/56/64/56/532566456.db2.gz BWTBGRJIPXJGNJ-DZGCQCFKSA-N 1 2 381.523 2.121 20 0 GEADLO C[C@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1nc(-c2ccccc2)cs1 ZINC000631918415 532566465 /nfs/dbraw/zinc/56/64/65/532566465.db2.gz BWTBGRJIPXJGNJ-DZGCQCFKSA-N 1 2 381.523 2.121 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000433368378 532566594 /nfs/dbraw/zinc/56/65/94/532566594.db2.gz UCCGGIUIMISPTD-GFCCVEGCSA-N 1 2 381.325 2.476 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H]2CNS(=O)(=O)CCc2cccs2)cc1 ZINC000528500860 532568254 /nfs/dbraw/zinc/56/82/54/532568254.db2.gz KHKCJIUGJLEJEC-MRXNPFEDSA-N 1 2 380.535 2.493 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H]2CNS(=O)(=O)CCc2cccs2)cc1 ZINC000528500860 532568257 /nfs/dbraw/zinc/56/82/57/532568257.db2.gz KHKCJIUGJLEJEC-MRXNPFEDSA-N 1 2 380.535 2.493 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000595627661 532568292 /nfs/dbraw/zinc/56/82/92/532568292.db2.gz UFEAQZHSNHBNDQ-ZJUUUORDSA-N 1 2 379.766 2.347 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000595627661 532568296 /nfs/dbraw/zinc/56/82/96/532568296.db2.gz UFEAQZHSNHBNDQ-ZJUUUORDSA-N 1 2 379.766 2.347 20 0 GEADLO C[C@]1(Br)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000528524858 532568602 /nfs/dbraw/zinc/56/86/02/532568602.db2.gz BWZRHWCUAGXIBL-BQFCYCMXSA-N 1 2 381.314 2.220 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H]2CNS(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000528501431 532569199 /nfs/dbraw/zinc/56/91/99/532569199.db2.gz MAOXPDDSLIPFSC-OAHLLOKOSA-N 1 2 381.885 2.296 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H]2CNS(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000528501431 532569201 /nfs/dbraw/zinc/56/92/01/532569201.db2.gz MAOXPDDSLIPFSC-OAHLLOKOSA-N 1 2 381.885 2.296 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000631209614 532547581 /nfs/dbraw/zinc/54/75/81/532547581.db2.gz FNLIWNZSSZZQTB-LBPRGKRZSA-N 1 2 382.795 2.228 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000296848065 532547885 /nfs/dbraw/zinc/54/78/85/532547885.db2.gz SYAXULPAJNQAMY-SMDDNHRTSA-N 1 2 375.238 2.394 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000296848065 532547890 /nfs/dbraw/zinc/54/78/90/532547890.db2.gz SYAXULPAJNQAMY-SMDDNHRTSA-N 1 2 375.238 2.394 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000296848006 532548029 /nfs/dbraw/zinc/54/80/29/532548029.db2.gz SYAXULPAJNQAMY-BXUZGUMPSA-N 1 2 375.238 2.394 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000296848006 532548035 /nfs/dbraw/zinc/54/80/35/532548035.db2.gz SYAXULPAJNQAMY-BXUZGUMPSA-N 1 2 375.238 2.394 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000296848024 532548340 /nfs/dbraw/zinc/54/83/40/532548340.db2.gz SYAXULPAJNQAMY-FZMZJTMJSA-N 1 2 375.238 2.394 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000296848024 532548344 /nfs/dbraw/zinc/54/83/44/532548344.db2.gz SYAXULPAJNQAMY-FZMZJTMJSA-N 1 2 375.238 2.394 20 0 GEADLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1c(Br)cncc1Br ZINC000284260296 532582968 /nfs/dbraw/zinc/58/29/68/532582968.db2.gz RULVILLRWPMHMP-QMMMGPOBSA-N 1 2 379.096 2.421 20 0 GEADLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1c(Br)cncc1Br ZINC000284260296 532582973 /nfs/dbraw/zinc/58/29/73/532582973.db2.gz RULVILLRWPMHMP-QMMMGPOBSA-N 1 2 379.096 2.421 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1)Nc1ccc(Br)cn1 ZINC000528792281 532583200 /nfs/dbraw/zinc/58/32/00/532583200.db2.gz IGWSYMVZBDSSSV-GFCCVEGCSA-N 1 2 378.230 2.115 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1)Nc1ccc(Br)cn1 ZINC000528792281 532583207 /nfs/dbraw/zinc/58/32/07/532583207.db2.gz IGWSYMVZBDSSSV-GFCCVEGCSA-N 1 2 378.230 2.115 20 0 GEADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000262079657 532583862 /nfs/dbraw/zinc/58/38/62/532583862.db2.gz SYJSDYJFQZIOTA-AWEZNQCLSA-N 1 2 389.308 2.203 20 0 GEADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000262075164 532584962 /nfs/dbraw/zinc/58/49/62/532584962.db2.gz SKZGKYYAWOYYPI-AWEZNQCLSA-N 1 2 389.308 2.203 20 0 GEADLO CC(C)Oc1ccc(S(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)cn1 ZINC000632181375 532586487 /nfs/dbraw/zinc/58/64/87/532586487.db2.gz YQHVRQICEGOAQD-UHFFFAOYSA-N 1 2 378.376 2.106 20 0 GEADLO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000566012215 532588925 /nfs/dbraw/zinc/58/89/25/532588925.db2.gz VJIYVLDPXHEXQV-XHDPSFHLSA-N 1 2 382.233 2.197 20 0 GEADLO CCOC(=O)c1nccc(NCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000596191777 532590016 /nfs/dbraw/zinc/59/00/16/532590016.db2.gz FRFJVIAGXKNJKG-UHFFFAOYSA-N 1 2 390.241 2.406 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262344829 532590697 /nfs/dbraw/zinc/59/06/97/532590697.db2.gz TWODHFNLTRFMBK-CYBMUJFWSA-N 1 2 375.281 2.062 20 0 GEADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cnc(-c3ccsc3)s2)CC1 ZINC000473414955 532591014 /nfs/dbraw/zinc/59/10/14/532591014.db2.gz URHUNHLUAVSIFR-UHFFFAOYSA-N 1 2 378.523 2.108 20 0 GEADLO O[C@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000473446259 532591144 /nfs/dbraw/zinc/59/11/44/532591144.db2.gz ZWXUUSDYBOGBQV-GXTWGEPZSA-N 1 2 380.491 2.402 20 0 GEADLO O[C@H](COc1ccc2c(c1)OCO2)C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000473446259 532591150 /nfs/dbraw/zinc/59/11/50/532591150.db2.gz ZWXUUSDYBOGBQV-GXTWGEPZSA-N 1 2 380.491 2.402 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2csc(CO)n2)c2ccc(Cl)cc2)C1 ZINC000632222495 532591560 /nfs/dbraw/zinc/59/15/60/532591560.db2.gz ADCOQRNAIOTHCF-GOEBONIOSA-N 1 2 381.885 2.091 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2csc(CO)n2)c2ccc(Cl)cc2)C1 ZINC000632222495 532591565 /nfs/dbraw/zinc/59/15/65/532591565.db2.gz ADCOQRNAIOTHCF-GOEBONIOSA-N 1 2 381.885 2.091 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000631962690 532571110 /nfs/dbraw/zinc/57/11/10/532571110.db2.gz OKBFGIALRVAEEB-HZMBPMFUSA-N 1 2 379.309 2.231 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000631962690 532571113 /nfs/dbraw/zinc/57/11/13/532571113.db2.gz OKBFGIALRVAEEB-HZMBPMFUSA-N 1 2 379.309 2.231 20 0 GEADLO COC[C@@H]1C[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H](C)O1 ZINC000251902628 532572063 /nfs/dbraw/zinc/57/20/63/532572063.db2.gz RCLMRCYCRPEKAR-AAEUAGOBSA-N 1 2 391.331 2.205 20 0 GEADLO COC[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H](C)O1 ZINC000251902628 532572069 /nfs/dbraw/zinc/57/20/69/532572069.db2.gz RCLMRCYCRPEKAR-AAEUAGOBSA-N 1 2 391.331 2.205 20 0 GEADLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3ccsc3n2)cc1 ZINC000284005286 532572330 /nfs/dbraw/zinc/57/23/30/532572330.db2.gz DSQWWZKJXNFBBF-GFCCVEGCSA-N 1 2 377.491 2.400 20 0 GEADLO C[NH+]1CCN(C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)CC1 ZINC000255927267 532574530 /nfs/dbraw/zinc/57/45/30/532574530.db2.gz MRMUOVXBFNRPDY-UHFFFAOYSA-N 1 2 397.298 2.365 20 0 GEADLO COC(=O)c1cnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000595914700 532576024 /nfs/dbraw/zinc/57/60/24/532576024.db2.gz OJPUYZLXGLDECC-ZJUUUORDSA-N 1 2 379.404 2.176 20 0 GEADLO COC(=O)c1cnc([C@H]2CCC[N@H+]([C@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000595914700 532576033 /nfs/dbraw/zinc/57/60/33/532576033.db2.gz OJPUYZLXGLDECC-ZJUUUORDSA-N 1 2 379.404 2.176 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN([C@H](C)C[NH+]1CCOCC1)C2 ZINC000595904932 532576239 /nfs/dbraw/zinc/57/62/39/532576239.db2.gz GJIDMGXDMUWKTE-SNVBAGLBSA-N 1 2 389.315 2.334 20 0 GEADLO C[C@]1(CO)C[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@@]1(C)CO ZINC000528752003 532580366 /nfs/dbraw/zinc/58/03/66/532580366.db2.gz MQFIBMJOPIJWPP-VBURHUQHSA-N 1 2 380.337 2.414 20 0 GEADLO C[C@]1(CO)C[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@@]1(C)CO ZINC000528752003 532580373 /nfs/dbraw/zinc/58/03/73/532580373.db2.gz MQFIBMJOPIJWPP-VBURHUQHSA-N 1 2 380.337 2.414 20 0 GEADLO C[C@]1(CO)C[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@@]1(C)CO ZINC000528755945 532580470 /nfs/dbraw/zinc/58/04/70/532580470.db2.gz XGPYFCQTINEVCO-RYQLBKOJSA-N 1 2 387.307 2.412 20 0 GEADLO C[C@]1(CO)C[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@@]1(C)CO ZINC000528755945 532580473 /nfs/dbraw/zinc/58/04/73/532580473.db2.gz XGPYFCQTINEVCO-RYQLBKOJSA-N 1 2 387.307 2.412 20 0 GEADLO CO[C@](C)(CO)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000655213017 532580654 /nfs/dbraw/zinc/58/06/54/532580654.db2.gz IYWKGQQZIKAQAA-WBVHZDCISA-N 1 2 385.302 2.100 20 0 GEADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632145016 532582262 /nfs/dbraw/zinc/58/22/62/532582262.db2.gz SQTLSANSGYLUKV-KGLIPLIRSA-N 1 2 375.560 2.228 20 0 GEADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632145016 532582264 /nfs/dbraw/zinc/58/22/64/532582264.db2.gz SQTLSANSGYLUKV-KGLIPLIRSA-N 1 2 375.560 2.228 20 0 GEADLO O=S(=O)(C[C@@H]1CCCCC1(F)F)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000566660231 532622102 /nfs/dbraw/zinc/62/21/02/532622102.db2.gz IBEQPQJLIVDXGV-HRCADAONSA-N 1 2 380.501 2.375 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NCCn2cc[nH+]c2)c1 ZINC000297993187 532616866 /nfs/dbraw/zinc/61/68/66/532616866.db2.gz ZBHKEDQEWAERQR-HNNXBMFYSA-N 1 2 397.273 2.029 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)c2cnc3ccsc3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632502952 532617963 /nfs/dbraw/zinc/61/79/63/532617963.db2.gz ZWXJLJJECHHSMT-HOTGVXAUSA-N 1 2 381.523 2.074 20 0 GEADLO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000262698015 532597725 /nfs/dbraw/zinc/59/77/25/532597725.db2.gz AENQEANLTBWOBU-SWLSCSKDSA-N 1 2 379.507 2.277 20 0 GEADLO C[C@H]1[NH2+]CCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)[C@H]1C ZINC000434666590 532598068 /nfs/dbraw/zinc/59/80/68/532598068.db2.gz TZQFLZCBLIZDFZ-OLZOCXBDSA-N 1 2 379.507 2.371 20 0 GEADLO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)[C@H]1C ZINC000434666594 532598304 /nfs/dbraw/zinc/59/83/04/532598304.db2.gz TZQFLZCBLIZDFZ-STQMWFEESA-N 1 2 379.507 2.371 20 0 GEADLO Cc1cc(NC(=O)c2c(Br)cnn2C)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000297605665 532598620 /nfs/dbraw/zinc/59/86/20/532598620.db2.gz GHKPTNYUAJYHQA-UHFFFAOYSA-N 1 2 390.245 2.336 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1Br ZINC000376187637 532599550 /nfs/dbraw/zinc/59/95/50/532599550.db2.gz MYILOKBIQVBACX-RYUDHWBXSA-N 1 2 385.306 2.231 20 0 GEADLO C[C@@H]1[NH2+]CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)[C@H]1C ZINC000262773469 532600710 /nfs/dbraw/zinc/60/07/10/532600710.db2.gz KGCUOPQUAPYRTN-STQMWFEESA-N 1 2 379.507 2.371 20 0 GEADLO CCc1nc(NC(=O)C(=O)NCc2[nH+]ccn2CC(F)(F)F)sc1C ZINC000434848917 532604869 /nfs/dbraw/zinc/60/48/69/532604869.db2.gz AXYDLQNGPLDASD-UHFFFAOYSA-N 1 2 375.376 2.028 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ccsc1C(F)(F)F ZINC000529480769 532605101 /nfs/dbraw/zinc/60/51/01/532605101.db2.gz XCANIGRWVTYYKC-UHFFFAOYSA-N 1 2 378.416 2.378 20 0 GEADLO COC(=O)C[C@H]1CCCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000434976701 532606515 /nfs/dbraw/zinc/60/65/15/532606515.db2.gz MZJCQCWNOUHPGQ-CYBMUJFWSA-N 1 2 395.257 2.334 20 0 GEADLO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000297885134 532609859 /nfs/dbraw/zinc/60/98/59/532609859.db2.gz OEIJXLMJTSVAQY-UHFFFAOYSA-N 1 2 395.257 2.061 20 0 GEADLO CCC[C@H](C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000566488680 532612423 /nfs/dbraw/zinc/61/24/23/532612423.db2.gz MQDUKDXJQLCTMO-LBPRGKRZSA-N 1 2 386.499 2.020 20 0 GEADLO CCC[C@@H](C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000566488679 532612888 /nfs/dbraw/zinc/61/28/88/532612888.db2.gz MQDUKDXJQLCTMO-GFCCVEGCSA-N 1 2 386.499 2.020 20 0 GEADLO C[C@H]([C@H](C)NC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl)[NH+]1CCOCC1 ZINC000474342153 532613284 /nfs/dbraw/zinc/61/32/84/532613284.db2.gz STAGGGJLWJICCJ-ZOWXZIJZSA-N 1 2 390.311 2.435 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC1 ZINC000632543110 532624098 /nfs/dbraw/zinc/62/40/98/532624098.db2.gz RUCFFFWZMJQVBT-LLVKDONJSA-N 1 2 389.905 2.079 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC1 ZINC000632543110 532624103 /nfs/dbraw/zinc/62/41/03/532624103.db2.gz RUCFFFWZMJQVBT-LLVKDONJSA-N 1 2 389.905 2.079 20 0 GEADLO O=C(NCCNc1ncc(Cl)cc1Cl)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000474738247 532627499 /nfs/dbraw/zinc/62/74/99/532627499.db2.gz PTFCRGGUDLPRCG-OAHLLOKOSA-N 1 2 387.311 2.417 20 0 GEADLO O=C(NCCNc1ncc(Cl)cc1Cl)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000474738247 532627504 /nfs/dbraw/zinc/62/75/04/532627504.db2.gz PTFCRGGUDLPRCG-OAHLLOKOSA-N 1 2 387.311 2.417 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)c1cccs1 ZINC000284918421 532631135 /nfs/dbraw/zinc/63/11/35/532631135.db2.gz NCEBMODRECGFLZ-CABCVRRESA-N 1 2 378.519 2.428 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCc2ccc(N(C)C)[nH+]c2)c(Cl)c1 ZINC000263648363 532631339 /nfs/dbraw/zinc/63/13/39/532631339.db2.gz ARPZNJKNONMSCD-UHFFFAOYSA-N 1 2 383.857 2.066 20 0 GEADLO CN(C)C(=O)NCC[N@H+](C)Cc1c(F)ccc(I)c1F ZINC000474878334 532631655 /nfs/dbraw/zinc/63/16/55/532631655.db2.gz OTHYGVLAZRJVJT-UHFFFAOYSA-N 1 2 397.207 2.272 20 0 GEADLO CN(C)C(=O)NCC[N@@H+](C)Cc1c(F)ccc(I)c1F ZINC000474878334 532631663 /nfs/dbraw/zinc/63/16/63/532631663.db2.gz OTHYGVLAZRJVJT-UHFFFAOYSA-N 1 2 397.207 2.272 20 0 GEADLO C[C@H]([C@@H](C)[NH+]1CCOCC1)N1C(=O)N[C@@H](c2ccccc2Br)C1=O ZINC000656802499 532633037 /nfs/dbraw/zinc/63/30/37/532633037.db2.gz DETFTOSCEUPABR-JMSVASOKSA-N 1 2 396.285 2.151 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000567019163 532635881 /nfs/dbraw/zinc/63/58/81/532635881.db2.gz JQLFEFNCLRBBGD-LBPRGKRZSA-N 1 2 392.301 2.365 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000567019163 532635885 /nfs/dbraw/zinc/63/58/85/532635885.db2.gz JQLFEFNCLRBBGD-LBPRGKRZSA-N 1 2 392.301 2.365 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)Cc2cc(F)ccc2Cl)C1 ZINC000656873984 532636146 /nfs/dbraw/zinc/63/61/46/532636146.db2.gz JZGSMSGGJGCSJJ-HNNXBMFYSA-N 1 2 378.897 2.255 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)Cc2cc(F)ccc2Cl)C1 ZINC000656873984 532636148 /nfs/dbraw/zinc/63/61/48/532636148.db2.gz JZGSMSGGJGCSJJ-HNNXBMFYSA-N 1 2 378.897 2.255 20 0 GEADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCn2cc(Br)cn2)C1 ZINC000377035123 532636602 /nfs/dbraw/zinc/63/66/02/532636602.db2.gz YBWNXKMDOCSRPX-CYBMUJFWSA-N 1 2 395.305 2.043 20 0 GEADLO Cc1nc(N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ccc1Br ZINC000567079287 532639641 /nfs/dbraw/zinc/63/96/41/532639641.db2.gz CAJRKLFLGJBGGO-CYBMUJFWSA-N 1 2 378.274 2.489 20 0 GEADLO COC[C@@H]([NH2+][C@@H](C)CCc1ccc(I)cc1)C(=O)OC ZINC000475191831 532640217 /nfs/dbraw/zinc/64/02/17/532640217.db2.gz FDTDBPDWFOQONQ-SMDDNHRTSA-N 1 2 391.249 2.390 20 0 GEADLO CC(C)(CNS(=O)(=O)c1cc(Br)ccc1F)n1cc[nH+]c1 ZINC000632728244 532642601 /nfs/dbraw/zinc/64/26/01/532642601.db2.gz COQHJWICXPHQBY-UHFFFAOYSA-N 1 2 376.251 2.498 20 0 GEADLO O=C(NCC1CCC(F)(F)CC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000377102599 532642954 /nfs/dbraw/zinc/64/29/54/532642954.db2.gz DORXCZRWBIRTEX-MRXNPFEDSA-N 1 2 377.501 2.319 20 0 GEADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CC3(Cl)Cl)CC2)C1 ZINC000377126060 532644555 /nfs/dbraw/zinc/64/45/55/532644555.db2.gz FJPDBYJABCRVQO-OLZOCXBDSA-N 1 2 392.327 2.334 20 0 GEADLO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436864471 532645363 /nfs/dbraw/zinc/64/53/63/532645363.db2.gz NPROFBXXSYOFAM-GFCCVEGCSA-N 1 2 389.265 2.116 20 0 GEADLO CC[C@]1(C)CC[N@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000532090315 532645580 /nfs/dbraw/zinc/64/55/80/532645580.db2.gz INEWCYLAXKJDEM-MAUKXSAKSA-N 1 2 384.567 2.386 20 0 GEADLO CC[C@]1(C)CC[N@@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000532090315 532645588 /nfs/dbraw/zinc/64/55/88/532645588.db2.gz INEWCYLAXKJDEM-MAUKXSAKSA-N 1 2 384.567 2.386 20 0 GEADLO C[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000285231083 532661126 /nfs/dbraw/zinc/66/11/26/532661126.db2.gz CMSYWUYAUDPBOP-HBNTYKKESA-N 1 2 378.420 2.337 20 0 GEADLO C[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000285231083 532661131 /nfs/dbraw/zinc/66/11/31/532661131.db2.gz CMSYWUYAUDPBOP-HBNTYKKESA-N 1 2 378.420 2.337 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)c3ccc(F)cc3Br)CC2)CCCC1 ZINC000377578601 532661638 /nfs/dbraw/zinc/66/16/38/532661638.db2.gz BQEJZPJDWDSLEB-UHFFFAOYSA-N 1 2 398.276 2.144 20 0 GEADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000437896744 532665593 /nfs/dbraw/zinc/66/55/93/532665593.db2.gz PZCMNPGRYCBOSE-UONOGXRCSA-N 1 2 386.480 2.321 20 0 GEADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000437896744 532665596 /nfs/dbraw/zinc/66/55/96/532665596.db2.gz PZCMNPGRYCBOSE-UONOGXRCSA-N 1 2 386.480 2.321 20 0 GEADLO Cc1ccnc(CS(=O)(=O)Cc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000533712761 532665735 /nfs/dbraw/zinc/66/57/35/532665735.db2.gz QLTHWTKXIXAQQE-UHFFFAOYSA-N 1 2 381.255 2.310 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000599567146 532666712 /nfs/dbraw/zinc/66/67/12/532666712.db2.gz MRQNOGPDIXRSDT-ZBEGNZNMSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000599567146 532666716 /nfs/dbraw/zinc/66/67/16/532666716.db2.gz MRQNOGPDIXRSDT-ZBEGNZNMSA-N 1 2 385.258 2.040 20 0 GEADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000660001844 532668040 /nfs/dbraw/zinc/66/80/40/532668040.db2.gz GHWUBDBADNCVOW-BYCMXARLSA-N 1 2 380.293 2.259 20 0 GEADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000660001844 532668045 /nfs/dbraw/zinc/66/80/45/532668045.db2.gz GHWUBDBADNCVOW-BYCMXARLSA-N 1 2 380.293 2.259 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000532161614 532646910 /nfs/dbraw/zinc/64/69/10/532646910.db2.gz AORKUWGPYPVHHP-IUODEOHRSA-N 1 2 380.794 2.352 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000532161614 532646916 /nfs/dbraw/zinc/64/69/16/532646916.db2.gz AORKUWGPYPVHHP-IUODEOHRSA-N 1 2 380.794 2.352 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(Br)cc1F ZINC000632870973 532648119 /nfs/dbraw/zinc/64/81/19/532648119.db2.gz OZIJKPVKBXQJNZ-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO O=C(CCCCc1ccc(Br)cc1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000437005385 532648166 /nfs/dbraw/zinc/64/81/66/532648166.db2.gz FSCXMUKXMVBVIK-KRWDZBQOSA-N 1 2 380.330 2.278 20 0 GEADLO O=C1CN(S(=O)(=O)c2ccc(F)c(Br)c2)c2cc[nH+]cc2N1 ZINC000437227524 532652240 /nfs/dbraw/zinc/65/22/40/532652240.db2.gz SQHMPVUKQDJZJS-UHFFFAOYSA-N 1 2 386.202 2.131 20 0 GEADLO O=C1CN(S(=O)(=O)c2ccc(Br)c(F)c2)c2cc[nH+]cc2N1 ZINC000437229487 532653083 /nfs/dbraw/zinc/65/30/83/532653083.db2.gz UPPSBUGJBFVABM-UHFFFAOYSA-N 1 2 386.202 2.131 20 0 GEADLO C[C@@H](CCS(C)(=O)=O)NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532398734 532653834 /nfs/dbraw/zinc/65/38/34/532653834.db2.gz JERKAABLTWTJGL-SWLSCSKDSA-N 1 2 375.922 2.065 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1)c1cccs1 ZINC000263994795 532654793 /nfs/dbraw/zinc/65/47/93/532654793.db2.gz LKOADQIZUANBTB-CHWSQXEVSA-N 1 2 381.523 2.266 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1)c1cccs1 ZINC000263994795 532654802 /nfs/dbraw/zinc/65/48/02/532654802.db2.gz LKOADQIZUANBTB-CHWSQXEVSA-N 1 2 381.523 2.266 20 0 GEADLO OCc1nnc2n1CC[N@@H+](Cc1cccc(Br)c1OC(F)F)C2 ZINC000532778069 532656938 /nfs/dbraw/zinc/65/69/38/532656938.db2.gz LZOCTDVNPQIGQV-UHFFFAOYSA-N 1 2 389.200 2.150 20 0 GEADLO OCc1nnc2n1CC[N@H+](Cc1cccc(Br)c1OC(F)F)C2 ZINC000532778069 532656942 /nfs/dbraw/zinc/65/69/42/532656942.db2.gz LZOCTDVNPQIGQV-UHFFFAOYSA-N 1 2 389.200 2.150 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCc1ccccc1Cl)C(C)(C)CO ZINC000657000977 532657462 /nfs/dbraw/zinc/65/74/62/532657462.db2.gz CNPWCDBZTWPRPH-HNNXBMFYSA-N 1 2 385.917 2.295 20 0 GEADLO COCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000478490262 532658807 /nfs/dbraw/zinc/65/88/07/532658807.db2.gz MSDSQWRRMPLFAF-CQSZACIVSA-N 1 2 388.249 2.018 20 0 GEADLO COCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000478490262 532658810 /nfs/dbraw/zinc/65/88/10/532658810.db2.gz MSDSQWRRMPLFAF-CQSZACIVSA-N 1 2 388.249 2.018 20 0 GEADLO CN(C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1)S(C)(=O)=O ZINC000285480119 532683984 /nfs/dbraw/zinc/68/39/84/532683984.db2.gz CRRJTTHDSPBDKT-GFCCVEGCSA-N 1 2 391.896 2.021 20 0 GEADLO CN(C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1)S(C)(=O)=O ZINC000285480119 532683988 /nfs/dbraw/zinc/68/39/88/532683988.db2.gz CRRJTTHDSPBDKT-GFCCVEGCSA-N 1 2 391.896 2.021 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285489623 532684214 /nfs/dbraw/zinc/68/42/14/532684214.db2.gz DMLHZWPAGDAQJE-AWEZNQCLSA-N 1 2 387.933 2.190 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285489623 532684219 /nfs/dbraw/zinc/68/42/19/532684219.db2.gz DMLHZWPAGDAQJE-AWEZNQCLSA-N 1 2 387.933 2.190 20 0 GEADLO CN(C)C(=O)C1(CNc2[nH+]cnc3c2c(Br)nn3C)CCCC1 ZINC000264938867 532684879 /nfs/dbraw/zinc/68/48/79/532684879.db2.gz HJXZEQVVJYDXHB-UHFFFAOYSA-N 1 2 381.278 2.186 20 0 GEADLO CCOC(=O)CCCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534818405 532672083 /nfs/dbraw/zinc/67/20/83/532672083.db2.gz LPMBEEPNJZAFPE-WBVHZDCISA-N 1 2 388.917 2.348 20 0 GEADLO CCOC(=O)CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534818405 532672096 /nfs/dbraw/zinc/67/20/96/532672096.db2.gz LPMBEEPNJZAFPE-WBVHZDCISA-N 1 2 388.917 2.348 20 0 GEADLO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377912016 532672877 /nfs/dbraw/zinc/67/28/77/532672877.db2.gz JQEXEUNDUUDHMZ-SSDOTTSWSA-N 1 2 399.195 2.063 20 0 GEADLO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377912016 532672884 /nfs/dbraw/zinc/67/28/84/532672884.db2.gz JQEXEUNDUUDHMZ-SSDOTTSWSA-N 1 2 399.195 2.063 20 0 GEADLO CC(C)(C)[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000298779158 532673901 /nfs/dbraw/zinc/67/39/01/532673901.db2.gz HGFFGSVZONMJLC-UHFFFAOYSA-N 1 2 388.555 2.168 20 0 GEADLO O=S1(=O)CCCN1C1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000660796724 532675188 /nfs/dbraw/zinc/67/51/88/532675188.db2.gz WININOJXZLAHJL-UHFFFAOYSA-N 1 2 378.416 2.427 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000298806139 532675268 /nfs/dbraw/zinc/67/52/68/532675268.db2.gz HVVNKZCDQOUOHN-LBPRGKRZSA-N 1 2 384.479 2.243 20 0 GEADLO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCc1[nH+]ccn1C ZINC000485558764 532686706 /nfs/dbraw/zinc/68/67/06/532686706.db2.gz CSJKGSRPNSNZJP-HNNXBMFYSA-N 1 2 393.285 2.253 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000568452109 532677381 /nfs/dbraw/zinc/67/73/81/532677381.db2.gz JMVAQLYVYHLLBF-STQMWFEESA-N 1 2 390.908 2.193 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000568452109 532677390 /nfs/dbraw/zinc/67/73/90/532677390.db2.gz JMVAQLYVYHLLBF-STQMWFEESA-N 1 2 390.908 2.193 20 0 GEADLO CC(=O)Nc1ccc(C[NH2+]Cc2ncc(I)s2)cn1 ZINC000285395093 532677821 /nfs/dbraw/zinc/67/78/21/532677821.db2.gz AQAHVEPBMUAWIA-UHFFFAOYSA-N 1 2 388.234 2.391 20 0 GEADLO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378060633 532678235 /nfs/dbraw/zinc/67/82/35/532678235.db2.gz PUZXOOLCSRVFAS-WFASDCNBSA-N 1 2 379.258 2.062 20 0 GEADLO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378060633 532678242 /nfs/dbraw/zinc/67/82/42/532678242.db2.gz PUZXOOLCSRVFAS-WFASDCNBSA-N 1 2 379.258 2.062 20 0 GEADLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638094251 532680353 /nfs/dbraw/zinc/68/03/53/532680353.db2.gz GTNOUBIWWAPOSY-ZJUUUORDSA-N 1 2 379.345 2.422 20 0 GEADLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638094251 532680359 /nfs/dbraw/zinc/68/03/59/532680359.db2.gz GTNOUBIWWAPOSY-ZJUUUORDSA-N 1 2 379.345 2.422 20 0 GEADLO C[C@H]1SCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@H]1C ZINC000638094249 532680524 /nfs/dbraw/zinc/68/05/24/532680524.db2.gz GTNOUBIWWAPOSY-VHSXEESVSA-N 1 2 379.345 2.422 20 0 GEADLO C[C@H]1SCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@H]1C ZINC000638094249 532680525 /nfs/dbraw/zinc/68/05/25/532680525.db2.gz GTNOUBIWWAPOSY-VHSXEESVSA-N 1 2 379.345 2.422 20 0 GEADLO O=C(c1cc(I)c(F)cc1F)N1CCn2c[nH+]cc2C1 ZINC000378124303 532680794 /nfs/dbraw/zinc/68/07/94/532680794.db2.gz XUJHBDZRQCUPND-UHFFFAOYSA-N 1 2 389.143 2.422 20 0 GEADLO CSc1nc2ncnc(NC[C@@]3([NH+]4CCOCC4)CCCOC3)c2s1 ZINC000378147521 532682315 /nfs/dbraw/zinc/68/23/15/532682315.db2.gz FZMAXFGOSWGCMH-INIZCTEOSA-N 1 2 381.527 2.102 20 0 GEADLO O=C(C[N@@H+]1CC2CCC1CC2)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000378381303 532692184 /nfs/dbraw/zinc/69/21/84/532692184.db2.gz KLDBZFOPNMSRMO-GPANFISMSA-N 1 2 382.551 2.138 20 0 GEADLO O=C(C[N@H+]1CC2CCC1CC2)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000378381303 532692190 /nfs/dbraw/zinc/69/21/90/532692190.db2.gz KLDBZFOPNMSRMO-GPANFISMSA-N 1 2 382.551 2.138 20 0 GEADLO COC(=O)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccc(Br)cc1 ZINC000569215509 532692337 /nfs/dbraw/zinc/69/23/37/532692337.db2.gz ZCDAFCRNZGLLGS-LSDHHAIUSA-N 1 2 392.253 2.061 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000299100099 532694686 /nfs/dbraw/zinc/69/46/86/532694686.db2.gz VFUCHJITIYQJJP-STQMWFEESA-N 1 2 391.269 2.203 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000569490271 532696488 /nfs/dbraw/zinc/69/64/88/532696488.db2.gz WTVHSXSPXPBBSN-SECBINFHSA-N 1 2 383.258 2.228 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000569490271 532696489 /nfs/dbraw/zinc/69/64/89/532696489.db2.gz WTVHSXSPXPBBSN-SECBINFHSA-N 1 2 383.258 2.228 20 0 GEADLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000569537651 532697945 /nfs/dbraw/zinc/69/79/45/532697945.db2.gz RTNCTYKUASNVJS-INIZCTEOSA-N 1 2 397.273 2.088 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488718278 532700324 /nfs/dbraw/zinc/70/03/24/532700324.db2.gz MLPODPVBGDELDT-NXEZZACHSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@H](CO)[C@H]1C ZINC000488718278 532700330 /nfs/dbraw/zinc/70/03/30/532700330.db2.gz MLPODPVBGDELDT-NXEZZACHSA-N 1 2 375.252 2.421 20 0 GEADLO O=C(Cc1cc2c(cc1Br)OCCO2)N1CCn2cc[nH+]c2C1 ZINC000606537809 532701733 /nfs/dbraw/zinc/70/17/33/532701733.db2.gz GCVOLMOXZGTUQY-UHFFFAOYSA-N 1 2 378.226 2.002 20 0 GEADLO CC(C)[C@H]1CN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000486112801 532688499 /nfs/dbraw/zinc/68/84/99/532688499.db2.gz AMIWROBZAPRKDD-MRXNPFEDSA-N 1 2 387.933 2.095 20 0 GEADLO CC(C)[C@H]1CN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000486112801 532688507 /nfs/dbraw/zinc/68/85/07/532688507.db2.gz AMIWROBZAPRKDD-MRXNPFEDSA-N 1 2 387.933 2.095 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000285538872 532688787 /nfs/dbraw/zinc/68/87/87/532688787.db2.gz SZQJEMFESGFIRM-UHFFFAOYSA-N 1 2 391.324 2.402 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000569137276 532689353 /nfs/dbraw/zinc/68/93/53/532689353.db2.gz FYRFDSHFJKAQJV-IAQYHMDHSA-N 1 2 391.269 2.273 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000569137276 532689358 /nfs/dbraw/zinc/68/93/58/532689358.db2.gz FYRFDSHFJKAQJV-IAQYHMDHSA-N 1 2 391.269 2.273 20 0 GEADLO C[N@@H+]1CC[C@@H](NS(=O)(=O)N2CCOC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000537436317 532709032 /nfs/dbraw/zinc/70/90/32/532709032.db2.gz NWUGMDWXBFWDIN-HZPDHXFCSA-N 1 2 387.933 2.030 20 0 GEADLO C[N@H+]1CC[C@@H](NS(=O)(=O)N2CCOC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000537436317 532709038 /nfs/dbraw/zinc/70/90/38/532709038.db2.gz NWUGMDWXBFWDIN-HZPDHXFCSA-N 1 2 387.933 2.030 20 0 GEADLO O=C(NC[C@@H](O)C(F)F)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000489583791 532709333 /nfs/dbraw/zinc/70/93/33/532709333.db2.gz JICLRPDVLXRQMF-GXTWGEPZSA-N 1 2 379.810 2.369 20 0 GEADLO O=C(NC[C@@H](O)C(F)F)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000489583791 532709338 /nfs/dbraw/zinc/70/93/38/532709338.db2.gz JICLRPDVLXRQMF-GXTWGEPZSA-N 1 2 379.810 2.369 20 0 GEADLO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000440282065 532709908 /nfs/dbraw/zinc/70/99/08/532709908.db2.gz ZCNKIGIMWGRREU-LBPRGKRZSA-N 1 2 398.301 2.337 20 0 GEADLO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000440282065 532709913 /nfs/dbraw/zinc/70/99/13/532709913.db2.gz ZCNKIGIMWGRREU-LBPRGKRZSA-N 1 2 398.301 2.337 20 0 GEADLO C[C@@H](NC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1cscn1 ZINC000668376096 532711352 /nfs/dbraw/zinc/71/13/52/532711352.db2.gz YGZBNYWZLAWQDD-IAQYHMDHSA-N 1 2 380.901 2.393 20 0 GEADLO C[C@@](CO)([NH2+]Cc1nnnn1C1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000573774001 532712163 /nfs/dbraw/zinc/71/21/63/532712163.db2.gz XWVJKKKQSIYPTM-INIZCTEOSA-N 1 2 386.283 2.329 20 0 GEADLO CC(=O)NCCCCCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000492218747 532712179 /nfs/dbraw/zinc/71/21/79/532712179.db2.gz BSTQWMXFJJVOCS-UHFFFAOYSA-N 1 2 381.274 2.410 20 0 GEADLO C[C@](CO)([NH2+]Cc1nnnn1C1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000573774003 532712530 /nfs/dbraw/zinc/71/25/30/532712530.db2.gz XWVJKKKQSIYPTM-MRXNPFEDSA-N 1 2 386.283 2.329 20 0 GEADLO CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000492194544 532712742 /nfs/dbraw/zinc/71/27/42/532712742.db2.gz KNZAROGPDXONAP-CQSZACIVSA-N 1 2 393.285 2.360 20 0 GEADLO CC(=O)N[C@@H](C(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CCCC1 ZINC000492219354 532713218 /nfs/dbraw/zinc/71/32/18/532713218.db2.gz GHAZVMFLRVRYRZ-MRXNPFEDSA-N 1 2 393.285 2.408 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000408254739 532714854 /nfs/dbraw/zinc/71/48/54/532714854.db2.gz OKJRXZYIFHRBHP-UHFFFAOYSA-N 1 2 379.309 2.215 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000538732489 532717788 /nfs/dbraw/zinc/71/77/88/532717788.db2.gz QOGSHHZTORFZNU-CYBMUJFWSA-N 1 2 399.314 2.092 20 0 GEADLO C[N@H+](CCN1CCCS1(=O)=O)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440552676 532717764 /nfs/dbraw/zinc/71/77/64/532717764.db2.gz FYCDVMHZDRJQKO-QGZVFWFLSA-N 1 2 380.901 2.187 20 0 GEADLO C[N@@H+](CCN1CCCS1(=O)=O)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440552676 532717772 /nfs/dbraw/zinc/71/77/72/532717772.db2.gz FYCDVMHZDRJQKO-QGZVFWFLSA-N 1 2 380.901 2.187 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000538732489 532717793 /nfs/dbraw/zinc/71/77/93/532717793.db2.gz QOGSHHZTORFZNU-CYBMUJFWSA-N 1 2 399.314 2.092 20 0 GEADLO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(Br)c3O)C2)CC1 ZINC000538745610 532717934 /nfs/dbraw/zinc/71/79/34/532717934.db2.gz KBQXDQYKBXKCKS-CYBMUJFWSA-N 1 2 382.302 2.007 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCc1cccc(Br)c1 ZINC000611216860 532720605 /nfs/dbraw/zinc/72/06/05/532720605.db2.gz QEYGZYDBEWJOMY-HNNXBMFYSA-N 1 2 394.269 2.395 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCc1cccc(Br)c1 ZINC000611216860 532720622 /nfs/dbraw/zinc/72/06/22/532720622.db2.gz QEYGZYDBEWJOMY-HNNXBMFYSA-N 1 2 394.269 2.395 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000646111777 532723217 /nfs/dbraw/zinc/72/32/17/532723217.db2.gz XBDCRXDHBWVYTL-XPTSAGLGSA-N 1 2 378.782 2.062 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000646111777 532723225 /nfs/dbraw/zinc/72/32/25/532723225.db2.gz XBDCRXDHBWVYTL-XPTSAGLGSA-N 1 2 378.782 2.062 20 0 GEADLO O=C(Nc1cc(C(F)F)ccc1Cl)N(CCO)CC[NH+]1CCOCC1 ZINC000497411260 532723476 /nfs/dbraw/zinc/72/34/76/532723476.db2.gz YKXZAAVLPOETGE-UHFFFAOYSA-N 1 2 377.819 2.436 20 0 GEADLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NCc3csc(C)n3)c2)CC1 ZINC000286038655 532726047 /nfs/dbraw/zinc/72/60/47/532726047.db2.gz QRIPRVWQRKAZLR-UHFFFAOYSA-N 1 2 380.539 2.390 20 0 GEADLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(Br)cn3)[nH+]c12 ZINC000673825284 532732707 /nfs/dbraw/zinc/73/27/07/532732707.db2.gz VJBWMSBIPCJNIS-UHFFFAOYSA-N 1 2 395.282 2.321 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)n1 ZINC000613176278 532728466 /nfs/dbraw/zinc/72/84/66/532728466.db2.gz MZIPHLPVESIZFV-UWVGGRQHSA-N 1 2 379.404 2.460 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)n1 ZINC000613176278 532728472 /nfs/dbraw/zinc/72/84/72/532728472.db2.gz MZIPHLPVESIZFV-UWVGGRQHSA-N 1 2 379.404 2.460 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266874639 532728953 /nfs/dbraw/zinc/72/89/53/532728953.db2.gz SAQUZOCQKIXBAA-LLVKDONJSA-N 1 2 387.311 2.202 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000539384391 532729559 /nfs/dbraw/zinc/72/95/59/532729559.db2.gz PQCRAVUJGLLWQL-JTQLQIEISA-N 1 2 399.257 2.303 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000539384391 532729566 /nfs/dbraw/zinc/72/95/66/532729566.db2.gz PQCRAVUJGLLWQL-JTQLQIEISA-N 1 2 399.257 2.303 20 0 GEADLO O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785366 532731494 /nfs/dbraw/zinc/73/14/94/532731494.db2.gz RFBBSZMSCIILEP-HNNXBMFYSA-N 1 2 386.279 2.255 20 0 GEADLO O=S(=O)(c1cccc2c1OCO2)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000577074634 532732510 /nfs/dbraw/zinc/73/25/10/532732510.db2.gz ILYYPVHFLBMIDN-AWEZNQCLSA-N 1 2 380.853 2.404 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)Cn2cc(Cl)cn2)c2ccc(Cl)cc2)C1 ZINC000502855346 532742204 /nfs/dbraw/zinc/74/22/04/532742204.db2.gz KPDOGBMTZNJJCC-DOTOQJQBSA-N 1 2 383.279 2.378 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)Cn2cc(Cl)cn2)c2ccc(Cl)cc2)C1 ZINC000502855346 532742211 /nfs/dbraw/zinc/74/22/11/532742211.db2.gz KPDOGBMTZNJJCC-DOTOQJQBSA-N 1 2 383.279 2.378 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCc1cccnc1-n1cccn1 ZINC000301152064 532742256 /nfs/dbraw/zinc/74/22/56/532742256.db2.gz DLIZDHHTHBKTCH-UHFFFAOYSA-N 1 2 385.229 2.319 20 0 GEADLO C[C@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)CCN1S(C)(=O)=O ZINC000540674661 532742993 /nfs/dbraw/zinc/74/29/93/532742993.db2.gz MWLUPBJMKYOVOL-ZDUSSCGKSA-N 1 2 380.432 2.440 20 0 GEADLO C[C@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CCN1S(C)(=O)=O ZINC000540674661 532742996 /nfs/dbraw/zinc/74/29/96/532742996.db2.gz MWLUPBJMKYOVOL-ZDUSSCGKSA-N 1 2 380.432 2.440 20 0 GEADLO C[C@H]1C[N@H+](CCCOc2cccc(I)c2)CC(=O)N1C ZINC000502895003 532744056 /nfs/dbraw/zinc/74/40/56/532744056.db2.gz XPJMPHHNKRJPPU-LBPRGKRZSA-N 1 2 388.249 2.223 20 0 GEADLO C[C@H]1C[N@@H+](CCCOc2cccc(I)c2)CC(=O)N1C ZINC000502895003 532744061 /nfs/dbraw/zinc/74/40/61/532744061.db2.gz XPJMPHHNKRJPPU-LBPRGKRZSA-N 1 2 388.249 2.223 20 0 GEADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCSC[C@@H](C)C2)CC1 ZINC000410956955 532744808 /nfs/dbraw/zinc/74/48/08/532744808.db2.gz MKZJURSYSMTPRG-GJZGRUSLSA-N 1 2 381.567 2.165 20 0 GEADLO Cc1cccc(C[NH+]2CCN(c3cnn(C)c(=O)c3Br)CC2)c1 ZINC000301220041 532744962 /nfs/dbraw/zinc/74/49/62/532744962.db2.gz AFGWCSRLDQHLHS-UHFFFAOYSA-N 1 2 377.286 2.173 20 0 GEADLO Cc1cc(N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)nc[nH+]1 ZINC000301254786 532745916 /nfs/dbraw/zinc/74/59/16/532745916.db2.gz QTLQUWBLCXATQJ-UHFFFAOYSA-N 1 2 397.298 2.058 20 0 GEADLO CCc1cnc(CCNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)s1 ZINC000540876276 532746567 /nfs/dbraw/zinc/74/65/67/532746567.db2.gz XGVSENFMROSJRA-UHFFFAOYSA-N 1 2 376.507 2.471 20 0 GEADLO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000503345729 532747545 /nfs/dbraw/zinc/74/75/45/532747545.db2.gz PTGVBLBDJUEBCD-UHFFFAOYSA-N 1 2 386.271 2.156 20 0 GEADLO CC(C)C[C@@H](CNC(=O)c1ncsc1Br)[NH+]1CCOCC1 ZINC000577091668 532733885 /nfs/dbraw/zinc/73/38/85/532733885.db2.gz OOFNLJVVUZCYSS-NSHDSACASA-N 1 2 376.320 2.382 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1Br ZINC000540068272 532735243 /nfs/dbraw/zinc/73/52/43/532735243.db2.gz GOGZWBUAUIHKOU-LLVKDONJSA-N 1 2 379.295 2.492 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1Br ZINC000540068272 532735248 /nfs/dbraw/zinc/73/52/48/532735248.db2.gz GOGZWBUAUIHKOU-LLVKDONJSA-N 1 2 379.295 2.492 20 0 GEADLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)s1 ZINC000578479883 532735920 /nfs/dbraw/zinc/73/59/20/532735920.db2.gz CUTKJVIODHLEEQ-ZETCQYMHSA-N 1 2 391.316 2.107 20 0 GEADLO CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)s1 ZINC000674383621 532736429 /nfs/dbraw/zinc/73/64/29/532736429.db2.gz BBSZVXVPIBKALU-UHFFFAOYSA-N 1 2 379.467 2.406 20 0 GEADLO O=S(=O)([C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1)N1CCOCC1 ZINC000501129257 532737089 /nfs/dbraw/zinc/73/70/89/532737089.db2.gz HDZDEQDSGDBSFI-HNNXBMFYSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)([C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1)N1CCOCC1 ZINC000501129257 532737093 /nfs/dbraw/zinc/73/70/93/532737093.db2.gz HDZDEQDSGDBSFI-HNNXBMFYSA-N 1 2 376.881 2.106 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000674891236 532737328 /nfs/dbraw/zinc/73/73/28/532737328.db2.gz SKMKRCIXDKPROH-AAEUAGOBSA-N 1 2 382.511 2.237 20 0 GEADLO CNS(=O)(=O)c1ccc(CNc2cc(C)[nH+]c(-c3cccnc3)n2)s1 ZINC000301076270 532738108 /nfs/dbraw/zinc/73/81/08/532738108.db2.gz DNNHKEBTXHFPJK-UHFFFAOYSA-N 1 2 375.479 2.429 20 0 GEADLO O=C(CNCC(F)(F)F)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000674894423 532738257 /nfs/dbraw/zinc/73/82/57/532738257.db2.gz KOBDTEHYVCZSFK-UHFFFAOYSA-N 1 2 379.810 2.015 20 0 GEADLO Cc1ccsc1[C@H](CO)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442998558 532739413 /nfs/dbraw/zinc/73/94/13/532739413.db2.gz JHXLGXXYPGLIST-HNNXBMFYSA-N 1 2 377.491 2.313 20 0 GEADLO O=C(CCn1cc(Br)cn1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000614540241 532740702 /nfs/dbraw/zinc/74/07/02/532740702.db2.gz GAQBIKWYWIGVHB-UHFFFAOYSA-N 1 2 383.315 2.442 20 0 GEADLO O=S(=O)(c1ccc(-c2csc([C@H]3COCC[NH2+]3)n2)cc1)N1CCCC1 ZINC000446147509 532754737 /nfs/dbraw/zinc/75/47/37/532754737.db2.gz PNXVNHMPLHQLHT-OAHLLOKOSA-N 1 2 379.507 2.256 20 0 GEADLO C[C@@H]1Cc2cc(-c3csc([C@@H]4COCC[NH2+]4)n3)ccc2N1S(C)(=O)=O ZINC000446155754 532755279 /nfs/dbraw/zinc/75/52/79/532755279.db2.gz ICWAFEDKNOOLIF-RISCZKNCSA-N 1 2 379.507 2.182 20 0 GEADLO NC(=O)[C@@H]([NH2+]CCOc1ncccc1F)c1ccc(Br)cc1F ZINC000446963159 532756280 /nfs/dbraw/zinc/75/62/80/532756280.db2.gz UYLNITKVJCBRQE-ZDUSSCGKSA-N 1 2 386.196 2.317 20 0 GEADLO CS(=O)(=O)[C@H]1CCCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000507089646 532756922 /nfs/dbraw/zinc/75/69/22/532756922.db2.gz WNKKRJPISXZQHW-AWEZNQCLSA-N 1 2 384.889 2.096 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000507688390 532757788 /nfs/dbraw/zinc/75/77/88/532757788.db2.gz AQRLKAKBWPPKHP-PSLIRLAXSA-N 1 2 397.248 2.236 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000507688390 532757789 /nfs/dbraw/zinc/75/77/89/532757789.db2.gz AQRLKAKBWPPKHP-PSLIRLAXSA-N 1 2 397.248 2.236 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000268246137 532758030 /nfs/dbraw/zinc/75/80/30/532758030.db2.gz YLXUWHWZENVULM-LBPRGKRZSA-N 1 2 379.265 2.082 20 0 GEADLO COCCOC[C@@H](O)C[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000450775546 532759417 /nfs/dbraw/zinc/75/94/17/532759417.db2.gz PTCYQUMFHGNHOI-NSHDSACASA-N 1 2 378.694 2.485 20 0 GEADLO COCCOC[C@@H](O)C[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000450775546 532759422 /nfs/dbraw/zinc/75/94/22/532759422.db2.gz PTCYQUMFHGNHOI-NSHDSACASA-N 1 2 378.694 2.485 20 0 GEADLO Cc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)ncc1Br ZINC000301826586 532760693 /nfs/dbraw/zinc/76/06/93/532760693.db2.gz FGRVDXXNVWHDSS-CQSZACIVSA-N 1 2 381.318 2.285 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCOc1ccc(I)cc1 ZINC000582616448 532760973 /nfs/dbraw/zinc/76/09/73/532760973.db2.gz LIYVJSVTOQVZSG-LLVKDONJSA-N 1 2 399.232 2.388 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCOc1ccc(I)cc1 ZINC000582616448 532760976 /nfs/dbraw/zinc/76/09/76/532760976.db2.gz LIYVJSVTOQVZSG-LLVKDONJSA-N 1 2 399.232 2.388 20 0 GEADLO CCNC(=O)C[NH+]1CCN(c2ccc3cc(Br)ccc3n2)CC1 ZINC000301371421 532750094 /nfs/dbraw/zinc/75/00/94/532750094.db2.gz UAIMFITVZPBBLW-UHFFFAOYSA-N 1 2 377.286 2.255 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000444709322 532750631 /nfs/dbraw/zinc/75/06/31/532750631.db2.gz QEPOVTHWRCKXHK-UONOGXRCSA-N 1 2 384.464 2.077 20 0 GEADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000616161182 532750599 /nfs/dbraw/zinc/75/05/99/532750599.db2.gz AUHKAFOGZPUALK-LBPRGKRZSA-N 1 2 394.269 2.243 20 0 GEADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000616161182 532750604 /nfs/dbraw/zinc/75/06/04/532750604.db2.gz AUHKAFOGZPUALK-LBPRGKRZSA-N 1 2 394.269 2.243 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CC[C@@H](CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000444709322 532750638 /nfs/dbraw/zinc/75/06/38/532750638.db2.gz QEPOVTHWRCKXHK-UONOGXRCSA-N 1 2 384.464 2.077 20 0 GEADLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000411257151 532751510 /nfs/dbraw/zinc/75/15/10/532751510.db2.gz JWXDSNPHJQFYKN-SMDDNHRTSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411257151 532751513 /nfs/dbraw/zinc/75/15/13/532751513.db2.gz JWXDSNPHJQFYKN-SMDDNHRTSA-N 1 2 385.258 2.040 20 0 GEADLO COCCn1cc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cn1 ZINC000506237723 532752270 /nfs/dbraw/zinc/75/22/70/532752270.db2.gz ZRHHNKSLCVXKSI-UHFFFAOYSA-N 1 2 380.290 2.009 20 0 GEADLO CCn1cccc(C[NH2+]Cc2ncc(I)s2)c1=O ZINC000511793202 532774878 /nfs/dbraw/zinc/77/48/78/532774878.db2.gz PNUOWXKZBOSTJP-UHFFFAOYSA-N 1 2 375.235 2.219 20 0 GEADLO Cc1nc(N2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)sc1C ZINC000302846854 532775497 /nfs/dbraw/zinc/77/54/97/532775497.db2.gz OIFPPUQFUHJILC-UHFFFAOYSA-N 1 2 376.555 2.430 20 0 GEADLO Cc1nc(N2CCN(c3cc(N4CCSCC4)nc[nH+]3)CC2)sc1C ZINC000302846854 532775500 /nfs/dbraw/zinc/77/55/00/532775500.db2.gz OIFPPUQFUHJILC-UHFFFAOYSA-N 1 2 376.555 2.430 20 0 GEADLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)Cc2ccccc2Br)no1 ZINC000511854976 532775900 /nfs/dbraw/zinc/77/59/00/532775900.db2.gz KVMNQDPFXMMHBN-UHFFFAOYSA-N 1 2 381.274 2.488 20 0 GEADLO COCC(COC)[NH+]1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000411859293 532777546 /nfs/dbraw/zinc/77/75/46/532777546.db2.gz KCIBRCDYAISLGX-UHFFFAOYSA-N 1 2 397.317 2.104 20 0 GEADLO Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(Br)n1 ZINC000286982022 532777740 /nfs/dbraw/zinc/77/77/40/532777740.db2.gz FSSNDXQDMQZGSR-OLZOCXBDSA-N 1 2 383.290 2.479 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(I)cc1 ZINC000308673592 532777982 /nfs/dbraw/zinc/77/79/82/532777982.db2.gz FAPYEFMTZYOMBP-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000512895207 532778518 /nfs/dbraw/zinc/77/85/18/532778518.db2.gz KIWOAMZRJATHGV-UHFFFAOYSA-N 1 2 378.885 2.015 20 0 GEADLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000512895207 532778520 /nfs/dbraw/zinc/77/85/20/532778520.db2.gz KIWOAMZRJATHGV-UHFFFAOYSA-N 1 2 378.885 2.015 20 0 GEADLO NC(=O)C[NH+]1CCN(c2ccc3c(Br)ccc(Cl)c3n2)CC1 ZINC000302005403 532764878 /nfs/dbraw/zinc/76/48/78/532764878.db2.gz UOQFLZYKAPAIHJ-UHFFFAOYSA-N 1 2 383.677 2.258 20 0 GEADLO CC[C@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000268468991 532765082 /nfs/dbraw/zinc/76/50/82/532765082.db2.gz PUYUNQPYYDJJPN-HZPDHXFCSA-N 1 2 397.361 2.315 20 0 GEADLO CC[C@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000268468991 532765086 /nfs/dbraw/zinc/76/50/86/532765086.db2.gz PUYUNQPYYDJJPN-HZPDHXFCSA-N 1 2 397.361 2.315 20 0 GEADLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)ccc1Br ZINC000302085465 532765439 /nfs/dbraw/zinc/76/54/39/532765439.db2.gz NFVPTTPCBOLAGR-CQSZACIVSA-N 1 2 381.318 2.285 20 0 GEADLO COC(=O)C(C)(C)CS(=O)(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000451606276 532766713 /nfs/dbraw/zinc/76/67/13/532766713.db2.gz HJUGJQKXLRJZST-UHFFFAOYSA-N 1 2 385.873 2.144 20 0 GEADLO CN(C)c1nc(N)nc(C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)n1 ZINC000411563339 532767507 /nfs/dbraw/zinc/76/75/07/532767507.db2.gz UJEAKRRLBWLJSV-CQSZACIVSA-N 1 2 395.280 2.662 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000509406553 532768588 /nfs/dbraw/zinc/76/85/88/532768588.db2.gz XMJAEWVERVFPML-SECBINFHSA-N 1 2 381.281 2.105 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000509406553 532768592 /nfs/dbraw/zinc/76/85/92/532768592.db2.gz XMJAEWVERVFPML-SECBINFHSA-N 1 2 381.281 2.105 20 0 GEADLO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000411594605 532768632 /nfs/dbraw/zinc/76/86/32/532768632.db2.gz HCYOOQXUYPRZSO-UHFFFAOYSA-N 1 2 379.258 2.097 20 0 GEADLO Cc1cc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)n(C)n1 ZINC000544713440 532782753 /nfs/dbraw/zinc/78/27/53/532782753.db2.gz MIAYVDGUKSSEAK-UHFFFAOYSA-N 1 2 376.258 2.420 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3nc(N)ns3)CC2)cc1Br ZINC000269616331 532784385 /nfs/dbraw/zinc/78/43/85/532784385.db2.gz GUNSDGJNFWGSRI-UHFFFAOYSA-N 1 2 384.303 2.214 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000412067232 532784614 /nfs/dbraw/zinc/78/46/14/532784614.db2.gz FXDMFJRKQJRUDQ-SNVBAGLBSA-N 1 2 383.470 2.212 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000412067232 532784618 /nfs/dbraw/zinc/78/46/18/532784618.db2.gz FXDMFJRKQJRUDQ-SNVBAGLBSA-N 1 2 383.470 2.212 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000412063434 532784630 /nfs/dbraw/zinc/78/46/30/532784630.db2.gz CIBGIMCXIREESC-LLVKDONJSA-N 1 2 376.400 2.482 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000412063434 532784635 /nfs/dbraw/zinc/78/46/35/532784635.db2.gz CIBGIMCXIREESC-LLVKDONJSA-N 1 2 376.400 2.482 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000412080651 532785876 /nfs/dbraw/zinc/78/58/76/532785876.db2.gz QADZUCOQQZDNCH-NSHDSACASA-N 1 2 376.400 2.482 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000412080651 532785878 /nfs/dbraw/zinc/78/58/78/532785878.db2.gz QADZUCOQQZDNCH-NSHDSACASA-N 1 2 376.400 2.482 20 0 GEADLO Cc1cc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)[nH]c(=O)n1 ZINC000546822980 532785889 /nfs/dbraw/zinc/78/58/89/532785889.db2.gz DLGQCHDJZMTQIT-UHFFFAOYSA-N 1 2 390.241 2.182 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)c1ccc(Br)o1 ZINC000546801656 532786250 /nfs/dbraw/zinc/78/62/50/532786250.db2.gz UDTTWFPDKSEZIU-UHFFFAOYSA-N 1 2 391.312 2.440 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2sccc2C1)c1ccc(Br)o1 ZINC000546801656 532786254 /nfs/dbraw/zinc/78/62/54/532786254.db2.gz UDTTWFPDKSEZIU-UHFFFAOYSA-N 1 2 391.312 2.440 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1cccc(Br)c1 ZINC000322717399 532788730 /nfs/dbraw/zinc/78/87/30/532788730.db2.gz RIHFMFOTUZJQKP-AWEZNQCLSA-N 1 2 380.242 2.005 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1cccc(Br)c1 ZINC000322717399 532788731 /nfs/dbraw/zinc/78/87/31/532788731.db2.gz RIHFMFOTUZJQKP-AWEZNQCLSA-N 1 2 380.242 2.005 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cc2cscc2Br)C1 ZINC000412362112 532788751 /nfs/dbraw/zinc/78/87/51/532788751.db2.gz UJKBWAGPNBEXEL-LLVKDONJSA-N 1 2 389.315 2.054 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cc2cscc2Br)C1 ZINC000412362112 532788754 /nfs/dbraw/zinc/78/87/54/532788754.db2.gz UJKBWAGPNBEXEL-LLVKDONJSA-N 1 2 389.315 2.054 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cccc(C)c2Br)CC1 ZINC000412437996 532792138 /nfs/dbraw/zinc/79/21/38/532792138.db2.gz RVMQGLKPPVHKMU-UHFFFAOYSA-N 1 2 385.302 2.177 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(C)cc(Br)c2)CC1 ZINC000412435411 532792366 /nfs/dbraw/zinc/79/23/66/532792366.db2.gz LTNIXOAMFZHBDB-UHFFFAOYSA-N 1 2 385.302 2.177 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000412437614 532792430 /nfs/dbraw/zinc/79/24/30/532792430.db2.gz QWXZJLHRFRBJOG-UHFFFAOYSA-N 1 2 389.265 2.007 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000412434014 532792693 /nfs/dbraw/zinc/79/26/93/532792693.db2.gz FPTJEOSOURSTFH-UHFFFAOYSA-N 1 2 391.295 2.178 20 0 GEADLO CCN(CCS(C)(=O)=O)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000269899637 532793067 /nfs/dbraw/zinc/79/30/67/532793067.db2.gz WSGMYZFPYBSWPE-ZDUSSCGKSA-N 1 2 388.559 2.273 20 0 GEADLO CCN(CCS(C)(=O)=O)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000269899637 532793071 /nfs/dbraw/zinc/79/30/71/532793071.db2.gz WSGMYZFPYBSWPE-ZDUSSCGKSA-N 1 2 388.559 2.273 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000287401657 532793571 /nfs/dbraw/zinc/79/35/71/532793571.db2.gz KQVWIKOJIPMFNN-GHMZBOCLSA-N 1 2 378.420 2.167 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000270170041 532794928 /nfs/dbraw/zinc/79/49/28/532794928.db2.gz LACUEWOXQDJHPA-AWEZNQCLSA-N 1 2 376.881 2.106 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[NH+]2CCN(c3c(Cl)cccc3Cl)CC2)C1 ZINC000514193057 532780565 /nfs/dbraw/zinc/78/05/65/532780565.db2.gz MXFACHFFGYCFAW-CYBMUJFWSA-N 1 2 392.352 2.397 20 0 GEADLO O=[S@@](CC[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)c1ccccc1 ZINC000329456002 532807053 /nfs/dbraw/zinc/80/70/53/532807053.db2.gz NDULNROUGAVDRW-UUOWRZLLSA-N 1 2 384.567 2.121 20 0 GEADLO O=[S@@](CC[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)c1ccccc1 ZINC000329456002 532807057 /nfs/dbraw/zinc/80/70/57/532807057.db2.gz NDULNROUGAVDRW-UUOWRZLLSA-N 1 2 384.567 2.121 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000413258743 532808548 /nfs/dbraw/zinc/80/85/48/532808548.db2.gz CKQLLDFREVSOPR-AWEZNQCLSA-N 1 2 389.725 2.148 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000413258743 532808550 /nfs/dbraw/zinc/80/85/50/532808550.db2.gz CKQLLDFREVSOPR-AWEZNQCLSA-N 1 2 389.725 2.148 20 0 GEADLO Cn1nc2c(c1C[NH2+][C@H](C(N)=O)c1cccc(Br)c1)CCCC2 ZINC000461083948 532799464 /nfs/dbraw/zinc/79/94/64/532799464.db2.gz GICTZFFIVHKKHN-INIZCTEOSA-N 1 2 377.286 2.378 20 0 GEADLO Cn1nc2c(c1C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)CCCC2 ZINC000461083949 532799854 /nfs/dbraw/zinc/79/98/54/532799854.db2.gz GICTZFFIVHKKHN-MRXNPFEDSA-N 1 2 377.286 2.378 20 0 GEADLO CCn1cc[nH+]c1[C@H](NS(=O)(=O)c1nc(C)c(C)s1)C1CCOCC1 ZINC000328993471 532801307 /nfs/dbraw/zinc/80/13/07/532801307.db2.gz TVKPRAVASFUWNN-CQSZACIVSA-N 1 2 384.527 2.423 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)C[C@H]21 ZINC000329153757 532802762 /nfs/dbraw/zinc/80/27/62/532802762.db2.gz UJQGALHAEDFQBY-HZPDHXFCSA-N 1 2 381.263 2.334 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)C[C@H]21 ZINC000329153757 532802764 /nfs/dbraw/zinc/80/27/64/532802764.db2.gz UJQGALHAEDFQBY-HZPDHXFCSA-N 1 2 381.263 2.334 20 0 GEADLO Cc1nn2cc(S(=O)(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)cnc2c1Cl ZINC000329143960 532803001 /nfs/dbraw/zinc/80/30/01/532803001.db2.gz VYNAXALGKWUPFN-GFCCVEGCSA-N 1 2 380.861 2.330 20 0 GEADLO O=C1[C@H]([N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000329206826 532803906 /nfs/dbraw/zinc/80/39/06/532803906.db2.gz YJGOZEZNUCWYDE-COLVAYQJSA-N 1 2 389.304 2.218 20 0 GEADLO O=C1[C@H]([N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000329206826 532803907 /nfs/dbraw/zinc/80/39/07/532803907.db2.gz YJGOZEZNUCWYDE-COLVAYQJSA-N 1 2 389.304 2.218 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000271195843 532804317 /nfs/dbraw/zinc/80/43/17/532804317.db2.gz HINURMYRUFSYEF-UHFFFAOYSA-N 1 2 384.479 2.276 20 0 GEADLO COc1cc(Br)cc(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000271191446 532804465 /nfs/dbraw/zinc/80/44/65/532804465.db2.gz GQYYDMBHGPIVAP-LBPRGKRZSA-N 1 2 385.306 2.215 20 0 GEADLO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000288105893 532817687 /nfs/dbraw/zinc/81/76/87/532817687.db2.gz LHTOVGBEWKVSHZ-LBPRGKRZSA-N 1 2 395.903 2.170 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)C[C@@H]21 ZINC000330266634 532816433 /nfs/dbraw/zinc/81/64/33/532816433.db2.gz HSASOZPDMCXFFL-HOTGVXAUSA-N 1 2 381.263 2.334 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)C[C@@H]21 ZINC000330266634 532816436 /nfs/dbraw/zinc/81/64/36/532816436.db2.gz HSASOZPDMCXFFL-HOTGVXAUSA-N 1 2 381.263 2.334 20 0 GEADLO COCCNC(=O)C1([NH2+][C@@H](C)c2ccccc2I)CC1 ZINC000414217582 532820608 /nfs/dbraw/zinc/82/06/08/532820608.db2.gz YONNWIIVKZCLNF-NSHDSACASA-N 1 2 388.249 2.237 20 0 GEADLO Cn1ncc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1Br ZINC000273247890 532821488 /nfs/dbraw/zinc/82/14/88/532821488.db2.gz RFOXBMNGIIKOQR-GFCCVEGCSA-N 1 2 387.228 2.494 20 0 GEADLO CCc1cnc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)s1 ZINC000414360567 532822480 /nfs/dbraw/zinc/82/24/80/532822480.db2.gz RIVAVCVCDXNNFW-UHFFFAOYSA-N 1 2 390.328 2.405 20 0 GEADLO CC(C)C[C@@H](CNS(=O)(=O)c1cc(F)c(F)cc1F)[NH+]1CCOCC1 ZINC000330624223 532822758 /nfs/dbraw/zinc/82/27/58/532822758.db2.gz GAPHHLUWRFHAID-LBPRGKRZSA-N 1 2 380.432 2.129 20 0 GEADLO CC(C)C[C@H](CNS(=O)(=O)c1cc(F)c(F)cc1F)[NH+]1CCOCC1 ZINC000330624222 532822811 /nfs/dbraw/zinc/82/28/11/532822811.db2.gz GAPHHLUWRFHAID-GFCCVEGCSA-N 1 2 380.432 2.129 20 0 GEADLO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000330667996 532825331 /nfs/dbraw/zinc/82/53/31/532825331.db2.gz AGDZHFTXQSIMDT-UHFFFAOYSA-N 1 2 395.903 2.313 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@@H](CO)C3)[nH+]c12 ZINC000273582286 532827098 /nfs/dbraw/zinc/82/70/98/532827098.db2.gz PDICJCCUIQYYGD-CYBMUJFWSA-N 1 2 395.301 2.362 20 0 GEADLO COC(C[N@H+](CCCO)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)OC ZINC000273587321 532827118 /nfs/dbraw/zinc/82/71/18/532827118.db2.gz INQDJUDJCMCZNC-UHFFFAOYSA-N 1 2 393.311 2.255 20 0 GEADLO COC(C[N@@H+](CCCO)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)OC ZINC000273587321 532827122 /nfs/dbraw/zinc/82/71/22/532827122.db2.gz INQDJUDJCMCZNC-UHFFFAOYSA-N 1 2 393.311 2.255 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)[C@@H](C)CO)[nH+]c12 ZINC000273676250 532830404 /nfs/dbraw/zinc/83/04/04/532830404.db2.gz YJVUOYMCSWYZHC-NWDGAFQWSA-N 1 2 383.290 2.264 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)Nc2nc(C[NH+](C)C)cs2)ccc1C ZINC000414463905 532829077 /nfs/dbraw/zinc/82/90/77/532829077.db2.gz XAZLJKAUERIBRH-UHFFFAOYSA-N 1 2 383.495 2.491 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3cnn(C)c3)CC2)c(Br)c1O ZINC000273708593 532832149 /nfs/dbraw/zinc/83/21/49/532832149.db2.gz FVMXWSWGTIDPOH-UHFFFAOYSA-N 1 2 381.274 2.219 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000414565877 532832457 /nfs/dbraw/zinc/83/24/57/532832457.db2.gz ZIYTYQJWWNZDOU-ZBFHGGJFSA-N 1 2 388.302 2.040 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000414565877 532832460 /nfs/dbraw/zinc/83/24/60/532832460.db2.gz ZIYTYQJWWNZDOU-ZBFHGGJFSA-N 1 2 388.302 2.040 20 0 GEADLO CC(C)[N@@H+]1CCc2nc(CN3CCS(=O)(=O)C[C@@H]3C3CCC3)sc2C1 ZINC000414498363 532830937 /nfs/dbraw/zinc/83/09/37/532830937.db2.gz VQXVDNHEDRFGBU-MRXNPFEDSA-N 1 2 383.583 2.309 20 0 GEADLO CC(C)[N@H+]1CCc2nc(CN3CCS(=O)(=O)C[C@@H]3C3CCC3)sc2C1 ZINC000414498363 532830942 /nfs/dbraw/zinc/83/09/42/532830942.db2.gz VQXVDNHEDRFGBU-MRXNPFEDSA-N 1 2 383.583 2.309 20 0 GEADLO CC(C)S(=O)(=O)CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000288697220 532835380 /nfs/dbraw/zinc/83/53/80/532835380.db2.gz CJMKACWRKUOTDC-UHFFFAOYSA-N 1 2 385.555 2.180 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCc3ccnn3C)[nH+]c12 ZINC000273913460 532837019 /nfs/dbraw/zinc/83/70/19/532837019.db2.gz IDLTZCKGBADIOQ-UHFFFAOYSA-N 1 2 377.246 2.138 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2N[C@H]1COc2ccccc2[C@@H]1O ZINC000288819114 532839076 /nfs/dbraw/zinc/83/90/76/532839076.db2.gz HJKDSNYYIGBFHW-CABZTGNLSA-N 1 2 376.214 2.032 20 0 GEADLO CC(=O)N1CCC[C@@H](C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000274002083 532839373 /nfs/dbraw/zinc/83/93/73/532839373.db2.gz PMWJWHUZMJZPMH-CYBMUJFWSA-N 1 2 393.285 2.280 20 0 GEADLO CCOC(=O)NCCC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274011767 532839455 /nfs/dbraw/zinc/83/94/55/532839455.db2.gz QPSKZQUOIDPJND-UHFFFAOYSA-N 1 2 383.246 2.158 20 0 GEADLO CCN1CCN(C(=O)c2nc(C)sc2Br)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331818627 532845072 /nfs/dbraw/zinc/84/50/72/532845072.db2.gz MHTFGNVHNYWSTD-SNVBAGLBSA-N 1 2 384.303 2.456 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)Oc1cc(F)ccc1Br ZINC000274236788 532845678 /nfs/dbraw/zinc/84/56/78/532845678.db2.gz SDJQFDRJJXSRLD-UHFFFAOYSA-N 1 2 382.251 2.019 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000274241840 532845729 /nfs/dbraw/zinc/84/57/29/532845729.db2.gz XZVOFXBKSIXWKN-STQMWFEESA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000274241840 532845730 /nfs/dbraw/zinc/84/57/30/532845730.db2.gz XZVOFXBKSIXWKN-STQMWFEESA-N 1 2 382.309 2.242 20 0 GEADLO Cc1ccsc1-c1nc(=NC(=O)N2CCC(OCCC[NH3+])CC2)s[nH]1 ZINC000415501484 532847711 /nfs/dbraw/zinc/84/77/11/532847711.db2.gz RJAUNPMQCMHRBY-UHFFFAOYSA-N 1 2 381.527 2.359 20 0 GEADLO CN(CCn1cc(Br)cn1)c1cc(N2CCSCC2)nc[nH+]1 ZINC000289128837 532847735 /nfs/dbraw/zinc/84/77/35/532847735.db2.gz RIEZSNHBPIWCDI-UHFFFAOYSA-N 1 2 383.319 2.125 20 0 GEADLO CN(CCn1cc(Br)cn1)c1cc(N2CCSCC2)[nH+]cn1 ZINC000289128837 532847737 /nfs/dbraw/zinc/84/77/37/532847737.db2.gz RIEZSNHBPIWCDI-UHFFFAOYSA-N 1 2 383.319 2.125 20 0 GEADLO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000332020801 532848202 /nfs/dbraw/zinc/84/82/02/532848202.db2.gz FWQAFYGELNQNCU-VXGBXAGGSA-N 1 2 398.305 2.072 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000332078639 532848651 /nfs/dbraw/zinc/84/86/51/532848651.db2.gz HNOLTZHJCCQLJA-JTQLQIEISA-N 1 2 388.262 2.500 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000289156336 532849172 /nfs/dbraw/zinc/84/91/72/532849172.db2.gz RYLLMWRRUIZVDT-AAEUAGOBSA-N 1 2 386.279 2.254 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1ccc(OC)c(Cl)c1 ZINC000274461650 532850643 /nfs/dbraw/zinc/85/06/43/532850643.db2.gz KLRHZPFLIAMHIT-NHYWBVRUSA-N 1 2 386.901 2.116 20 0 GEADLO CC(C)NS(=O)(=O)N1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000332238827 532850328 /nfs/dbraw/zinc/85/03/28/532850328.db2.gz UFWKFPAPBZGJEO-UHFFFAOYSA-N 1 2 382.917 2.249 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000274610526 532852820 /nfs/dbraw/zinc/85/28/20/532852820.db2.gz HLLGZUXSQMEMCI-ZDUSSCGKSA-N 1 2 387.889 2.319 20 0 GEADLO COc1sc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1Br ZINC000289347077 532852876 /nfs/dbraw/zinc/85/28/76/532852876.db2.gz IOPXMKFDBHEDEE-LLVKDONJSA-N 1 2 397.360 2.375 20 0 GEADLO COc1sc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1Br ZINC000289347077 532852878 /nfs/dbraw/zinc/85/28/78/532852878.db2.gz IOPXMKFDBHEDEE-LLVKDONJSA-N 1 2 397.360 2.375 20 0 GEADLO Ic1cnc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)s1 ZINC000289418082 532854232 /nfs/dbraw/zinc/85/42/32/532854232.db2.gz UKLWWYVMBMIYMM-VIFPVBQESA-N 1 2 380.251 2.333 20 0 GEADLO Ic1cnc(C[N@H+]2CCC[C@H](C3OCCO3)C2)s1 ZINC000289418082 532854235 /nfs/dbraw/zinc/85/42/35/532854235.db2.gz UKLWWYVMBMIYMM-VIFPVBQESA-N 1 2 380.251 2.333 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c(Cl)c1 ZINC000332487190 532856439 /nfs/dbraw/zinc/85/64/39/532856439.db2.gz BCPHIRBGVZCAKV-GXTWGEPZSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c(Cl)c1 ZINC000332487190 532856441 /nfs/dbraw/zinc/85/64/41/532856441.db2.gz BCPHIRBGVZCAKV-GXTWGEPZSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000332513263 532856801 /nfs/dbraw/zinc/85/68/01/532856801.db2.gz KZQOJNCYUXRORY-GXTWGEPZSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332513263 532856803 /nfs/dbraw/zinc/85/68/03/532856803.db2.gz KZQOJNCYUXRORY-GXTWGEPZSA-N 1 2 386.901 2.374 20 0 GEADLO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000274871477 532858537 /nfs/dbraw/zinc/85/85/37/532858537.db2.gz DWLYVKKZDOQJGV-HUUCEWRRSA-N 1 2 382.551 2.216 20 0 GEADLO COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000289552635 532858613 /nfs/dbraw/zinc/85/86/13/532858613.db2.gz RGAIFNDNVWXEIU-CQSZACIVSA-N 1 2 378.441 2.152 20 0 GEADLO COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000289552635 532858617 /nfs/dbraw/zinc/85/86/17/532858617.db2.gz RGAIFNDNVWXEIU-CQSZACIVSA-N 1 2 378.441 2.152 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCCS(=O)(=O)C3)n2)C1 ZINC000332826149 532861614 /nfs/dbraw/zinc/86/16/14/532861614.db2.gz GIEPZSBZYBFEON-QWHCGFSZSA-N 1 2 386.543 2.074 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCCS(=O)(=O)C3)n2)C1 ZINC000332826149 532861617 /nfs/dbraw/zinc/86/16/17/532861617.db2.gz GIEPZSBZYBFEON-QWHCGFSZSA-N 1 2 386.543 2.074 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Cc3cc(Cl)c(Br)cc3F)C[C@@H]21 ZINC000415881614 532861977 /nfs/dbraw/zinc/86/19/77/532861977.db2.gz VASDXULGVKDMFL-UONOGXRCSA-N 1 2 391.668 2.326 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)Cc3cc(Cl)c(Br)cc3F)C[C@@H]21 ZINC000415881614 532861978 /nfs/dbraw/zinc/86/19/78/532861978.db2.gz VASDXULGVKDMFL-UONOGXRCSA-N 1 2 391.668 2.326 20 0 GEADLO O=C1[C@H]([NH+]2CCC(Oc3cncc(Cl)n3)CC2)CCN1CC(F)(F)F ZINC000275055348 532862963 /nfs/dbraw/zinc/86/29/63/532862963.db2.gz MZNXPJLKTMFDCG-LLVKDONJSA-N 1 2 378.782 2.136 20 0 GEADLO Cc1ccnc(N2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1Br ZINC000333134678 532864895 /nfs/dbraw/zinc/86/48/95/532864895.db2.gz BKCUFWIGSIBVOK-UHFFFAOYSA-N 1 2 377.290 2.231 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)c1ccsc1 ZINC000333302127 532866719 /nfs/dbraw/zinc/86/67/19/532866719.db2.gz MNGNWJYEOLBKLS-BZUAXINKSA-N 1 2 385.555 2.102 20 0 GEADLO COCC(=O)N1CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000289992944 532869286 /nfs/dbraw/zinc/86/92/86/532869286.db2.gz KNHWCUKKPVHATF-UHFFFAOYSA-N 1 2 383.286 2.203 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@H]1CCCOCC1 ZINC000333505036 532870000 /nfs/dbraw/zinc/87/00/00/532870000.db2.gz KWWGFRNFFSGEDT-LBPRGKRZSA-N 1 2 384.274 2.436 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000416305018 532870121 /nfs/dbraw/zinc/87/01/21/532870121.db2.gz ZXWDAPQHNVEBEN-UONOGXRCSA-N 1 2 384.929 2.169 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000416305018 532870123 /nfs/dbraw/zinc/87/01/23/532870123.db2.gz ZXWDAPQHNVEBEN-UONOGXRCSA-N 1 2 384.929 2.169 20 0 GEADLO C[C@@H]1CN(C(=O)CSCC(=O)c2ccc(Cl)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416305017 532870147 /nfs/dbraw/zinc/87/01/47/532870147.db2.gz ZXWDAPQHNVEBEN-KGLIPLIRSA-N 1 2 384.929 2.169 20 0 GEADLO C[C@@H]1CN(C(=O)CSCC(=O)c2ccc(Cl)cc2)[C@@H](C)C[N@H+]1CCO ZINC000416305017 532870148 /nfs/dbraw/zinc/87/01/48/532870148.db2.gz ZXWDAPQHNVEBEN-KGLIPLIRSA-N 1 2 384.929 2.169 20 0 GEADLO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000289998013 532870153 /nfs/dbraw/zinc/87/01/53/532870153.db2.gz CTDQZBAMCDYWQE-SWLSCSKDSA-N 1 2 382.917 2.114 20 0 GEADLO O=S1(=O)CC[C@@H](N2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)CC2)C1 ZINC000333532577 532870700 /nfs/dbraw/zinc/87/07/00/532870700.db2.gz JJPIHQXIXBOBNJ-GFCCVEGCSA-N 1 2 383.876 2.336 20 0 GEADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000416368804 532871847 /nfs/dbraw/zinc/87/18/47/532871847.db2.gz IIYLSHKTPUGEIK-UHFFFAOYSA-N 1 2 383.857 2.066 20 0 GEADLO C[C@@H]1OCC[C@@]12CN(C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)CCO2 ZINC000333693825 532872193 /nfs/dbraw/zinc/87/21/93/532872193.db2.gz QSPBSLWNQGCZQY-MEDUHNTESA-N 1 2 399.289 2.322 20 0 GEADLO COc1cc(Br)c(C[NH2+]CCS(=O)(=O)C(C)C)c(OC)c1 ZINC000290102926 532872786 /nfs/dbraw/zinc/87/27/86/532872786.db2.gz HUGIWEMXTHHFPV-UHFFFAOYSA-N 1 2 380.304 2.379 20 0 GEADLO COCCOC[C@H]1CC[N@H+](Cc2ncc(I)s2)C1 ZINC000290134279 532873477 /nfs/dbraw/zinc/87/34/77/532873477.db2.gz VHNWREADVHNHEQ-JTQLQIEISA-N 1 2 382.267 2.233 20 0 GEADLO COCCOC[C@H]1CC[N@@H+](Cc2ncc(I)s2)C1 ZINC000290134279 532873480 /nfs/dbraw/zinc/87/34/80/532873480.db2.gz VHNWREADVHNHEQ-JTQLQIEISA-N 1 2 382.267 2.233 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3ccnc4c(Br)cccc34)C[C@@H]2N1 ZINC000333790478 532873695 /nfs/dbraw/zinc/87/36/95/532873695.db2.gz DFKITHIXXBAMQU-GJZGRUSLSA-N 1 2 376.254 2.087 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3ccnc4c(Br)cccc34)C[C@@H]2N1 ZINC000333790478 532873699 /nfs/dbraw/zinc/87/36/99/532873699.db2.gz DFKITHIXXBAMQU-GJZGRUSLSA-N 1 2 376.254 2.087 20 0 GEADLO CNC(=O)c1ccn([C@@H]2CCC[N@H+](Cc3cncc(Br)c3)C2)n1 ZINC000275402495 532875259 /nfs/dbraw/zinc/87/52/59/532875259.db2.gz CMBCHCPWJMNLQL-CQSZACIVSA-N 1 2 378.274 2.237 20 0 GEADLO CNC(=O)c1ccn([C@@H]2CCC[N@@H+](Cc3cncc(Br)c3)C2)n1 ZINC000275402495 532875261 /nfs/dbraw/zinc/87/52/61/532875261.db2.gz CMBCHCPWJMNLQL-CQSZACIVSA-N 1 2 378.274 2.237 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)ncc1Br ZINC000290380469 532879767 /nfs/dbraw/zinc/87/97/67/532879767.db2.gz AZFISWYGZJQYOU-WDEREUQCSA-N 1 2 388.693 2.433 20 0 GEADLO O=C(CCSCCn1cc(Cl)cn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000419576271 532882356 /nfs/dbraw/zinc/88/23/56/532882356.db2.gz BRWJCFMLSSTXEP-UHFFFAOYSA-N 1 2 379.917 2.404 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000290623720 532885370 /nfs/dbraw/zinc/88/53/70/532885370.db2.gz CIMRLDGXUUOMQH-UHFFFAOYSA-N 1 2 377.754 2.366 20 0 GEADLO Cc1cc(CNC(=O)NCc2nn(C)cc2I)cc(C)[nH+]1 ZINC000420850462 532886346 /nfs/dbraw/zinc/88/63/46/532886346.db2.gz UOEQWPOZEIJBMC-UHFFFAOYSA-N 1 2 399.236 2.036 20 0 GEADLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Nc2cccc(Br)n2)C1 ZINC000276042523 532887892 /nfs/dbraw/zinc/88/78/92/532887892.db2.gz GETKPXHOUCOADJ-LBPRGKRZSA-N 1 2 391.273 2.372 20 0 GEADLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Nc2cccc(Br)n2)C1 ZINC000276042523 532887895 /nfs/dbraw/zinc/88/78/95/532887895.db2.gz GETKPXHOUCOADJ-LBPRGKRZSA-N 1 2 391.273 2.372 20 0 GEADLO CC1(C)C[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H](CO)O1 ZINC000420941746 532887753 /nfs/dbraw/zinc/88/77/53/532887753.db2.gz PQMQZAGCAKMOAG-ZDUSSCGKSA-N 1 2 375.296 2.124 20 0 GEADLO CC1(C)C[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H](CO)O1 ZINC000420941746 532887757 /nfs/dbraw/zinc/88/77/57/532887757.db2.gz PQMQZAGCAKMOAG-ZDUSSCGKSA-N 1 2 375.296 2.124 20 0 GEADLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)CCN1S(C)(=O)=O ZINC000360790499 532890790 /nfs/dbraw/zinc/89/07/90/532890790.db2.gz APHJOMZYDPNTBA-ZDUSSCGKSA-N 1 2 382.917 2.206 20 0 GEADLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)CCN1S(C)(=O)=O ZINC000360790499 532890793 /nfs/dbraw/zinc/89/07/93/532890793.db2.gz APHJOMZYDPNTBA-ZDUSSCGKSA-N 1 2 382.917 2.206 20 0 GEADLO Cc1nc(CC[NH2+]Cc2c(Br)cncc2Br)n[nH]1 ZINC000290867966 532890844 /nfs/dbraw/zinc/89/08/44/532890844.db2.gz LAZADCVJXUFFDL-UHFFFAOYSA-N 1 2 375.068 2.365 20 0 GEADLO Cc1nnc(CC[NH2+]Cc2c(Br)cncc2Br)[nH]1 ZINC000290867966 532890846 /nfs/dbraw/zinc/89/08/46/532890846.db2.gz LAZADCVJXUFFDL-UHFFFAOYSA-N 1 2 375.068 2.365 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000290890571 532891644 /nfs/dbraw/zinc/89/16/44/532891644.db2.gz MYTPKXSDEBECLZ-JTQLQIEISA-N 1 2 382.814 2.043 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000290909452 532892082 /nfs/dbraw/zinc/89/20/82/532892082.db2.gz PASJCPNIEQVLBX-UHFFFAOYSA-N 1 2 399.314 2.079 20 0 GEADLO O=S1(=O)CCC[C@H]([NH2+]Cc2c(Br)cncc2Br)C1 ZINC000290911396 532892190 /nfs/dbraw/zinc/89/21/90/532892190.db2.gz PFYVHGNFOGLHHH-QMMMGPOBSA-N 1 2 398.120 2.273 20 0 GEADLO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000290992054 532894029 /nfs/dbraw/zinc/89/40/29/532894029.db2.gz ZZZGJQZOXIMAOZ-WBMJQRKESA-N 1 2 386.905 2.057 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000361954782 532894356 /nfs/dbraw/zinc/89/43/56/532894356.db2.gz GUCRPWJOJOFYDJ-UKRRQHHQSA-N 1 2 387.933 2.378 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000361954782 532894358 /nfs/dbraw/zinc/89/43/58/532894358.db2.gz GUCRPWJOJOFYDJ-UKRRQHHQSA-N 1 2 387.933 2.378 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290978776 532894376 /nfs/dbraw/zinc/89/43/76/532894376.db2.gz VEYITCRULTZPHC-UHFFFAOYSA-N 1 2 378.226 2.269 20 0 GEADLO Cc1[nH+]c2n(c1CN1CCN(C(=O)[C@@H]3CSCCS3)CC1)CCCC2 ZINC000362240155 532895218 /nfs/dbraw/zinc/89/52/18/532895218.db2.gz UFAAPEKVFICFLU-INIZCTEOSA-N 1 2 380.583 2.021 20 0 GEADLO COc1ccc(C[NH+]2CCC(C(=O)N(C)OC)CC2)c(Br)c1O ZINC000291027038 532895289 /nfs/dbraw/zinc/89/52/89/532895289.db2.gz AWQJJRSLIKDTFS-UHFFFAOYSA-N 1 2 387.274 2.395 20 0 GEADLO O=C1[C@@H]([N@@H+]2CCc3n[nH]c(=O)cc3C2)CCN1c1ccc(Cl)cc1Cl ZINC000276446905 532895957 /nfs/dbraw/zinc/89/59/57/532895957.db2.gz SPQSHWGQWRTWBU-HNNXBMFYSA-N 1 2 379.247 2.240 20 0 GEADLO O=C1[C@@H]([N@H+]2CCc3n[nH]c(=O)cc3C2)CCN1c1ccc(Cl)cc1Cl ZINC000276446905 532895960 /nfs/dbraw/zinc/89/59/60/532895960.db2.gz SPQSHWGQWRTWBU-HNNXBMFYSA-N 1 2 379.247 2.240 20 0 GEADLO CN(CCn1cc(Br)cn1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000291154667 532897414 /nfs/dbraw/zinc/89/74/14/532897414.db2.gz HDYPYXORCMCHFX-UHFFFAOYSA-N 1 2 379.249 2.081 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CCc1cccc(Br)c1 ZINC000291333491 532900026 /nfs/dbraw/zinc/90/00/26/532900026.db2.gz VZXRWCRVPYVYJM-HNNXBMFYSA-N 1 2 397.361 2.269 20 0 GEADLO CC(C)[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1Cl)c1[nH]cc[nH+]1 ZINC000276621532 532898839 /nfs/dbraw/zinc/89/88/39/532898839.db2.gz ODGDFRRFLQPNNC-HNNXBMFYSA-N 1 2 384.889 2.245 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c(Br)c1O ZINC000291480119 532902886 /nfs/dbraw/zinc/90/28/86/532902886.db2.gz FRPBQYSOKXLRTL-TZMCWYRMSA-N 1 2 385.302 2.458 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c(Br)c1O ZINC000291480119 532902887 /nfs/dbraw/zinc/90/28/87/532902887.db2.gz FRPBQYSOKXLRTL-TZMCWYRMSA-N 1 2 385.302 2.458 20 0 GEADLO C[C@@H](CNC(=O)OC(C)(C)C)Nc1[nH+]cnc2c1c(Br)nn2C ZINC000276950752 532904244 /nfs/dbraw/zinc/90/42/44/532904244.db2.gz UGOFCVXBQATVGU-QMMMGPOBSA-N 1 2 385.266 2.451 20 0 GEADLO C[N@H+](CC(=O)NC[C@H]1CCCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000364177875 532904507 /nfs/dbraw/zinc/90/45/07/532904507.db2.gz RBCDTHPWDFREAD-HIFRSBDPSA-N 1 2 383.286 2.500 20 0 GEADLO C[N@@H+](CC(=O)NC[C@H]1CCCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000364177875 532904508 /nfs/dbraw/zinc/90/45/08/532904508.db2.gz RBCDTHPWDFREAD-HIFRSBDPSA-N 1 2 383.286 2.500 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cccc(Br)c1F ZINC000276979654 532905130 /nfs/dbraw/zinc/90/51/30/532905130.db2.gz HAHMJUQUBLNLJW-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365863115 532912414 /nfs/dbraw/zinc/91/24/14/532912414.db2.gz RECCRLCQHQJHPE-CQSZACIVSA-N 1 2 377.539 2.115 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2 ZINC000365593557 532911327 /nfs/dbraw/zinc/91/13/27/532911327.db2.gz VUWKFYYSCTTXLM-LLVKDONJSA-N 1 2 375.372 2.383 20 0 GEADLO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000292323390 532915203 /nfs/dbraw/zinc/91/52/03/532915203.db2.gz CAJVOMRPOZKULR-QMTHXVAHSA-N 1 2 388.281 2.257 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000366577131 532919081 /nfs/dbraw/zinc/91/90/81/532919081.db2.gz HHJGQZNVGIOFJP-UONOGXRCSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000366577131 532919082 /nfs/dbraw/zinc/91/90/82/532919082.db2.gz HHJGQZNVGIOFJP-UONOGXRCSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000366577132 532919084 /nfs/dbraw/zinc/91/90/84/532919084.db2.gz HHJGQZNVGIOFJP-ZIAGYGMSSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000366577132 532919086 /nfs/dbraw/zinc/91/90/86/532919086.db2.gz HHJGQZNVGIOFJP-ZIAGYGMSSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000366580696 532919199 /nfs/dbraw/zinc/91/91/99/532919199.db2.gz LLCMIVKCTJBOOO-UONOGXRCSA-N 1 2 390.843 2.075 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000366580696 532919201 /nfs/dbraw/zinc/91/92/01/532919201.db2.gz LLCMIVKCTJBOOO-UONOGXRCSA-N 1 2 390.843 2.075 20 0 GEADLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2C[C@H](O)COCC(F)(F)F)n1 ZINC000292956224 532920345 /nfs/dbraw/zinc/92/03/45/532920345.db2.gz ORNRTUFJLLKHJT-CMPLNLGQSA-N 1 2 382.404 2.397 20 0 GEADLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2C[C@H](O)COCC(F)(F)F)n1 ZINC000292956224 532920347 /nfs/dbraw/zinc/92/03/47/532920347.db2.gz ORNRTUFJLLKHJT-CMPLNLGQSA-N 1 2 382.404 2.397 20 0 GEADLO O=C(c1ccc(I)cc1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000367107452 532922829 /nfs/dbraw/zinc/92/28/29/532922829.db2.gz NJJYNXWYEPXPMH-HNNXBMFYSA-N 1 2 393.228 2.473 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)c2cccc3cccc(Br)c32)CC1 ZINC000367143836 532922883 /nfs/dbraw/zinc/92/28/83/532922883.db2.gz MMBMGUWYMGNFQN-UHFFFAOYSA-N 1 2 390.281 2.236 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)c2cccc3cccc(Br)c32)CC1 ZINC000367143836 532922885 /nfs/dbraw/zinc/92/28/85/532922885.db2.gz MMBMGUWYMGNFQN-UHFFFAOYSA-N 1 2 390.281 2.236 20 0 GEADLO Cn1cc(Br)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)n1 ZINC000293188244 532923307 /nfs/dbraw/zinc/92/33/07/532923307.db2.gz FBNJUJICKFUXGT-VIFPVBQESA-N 1 2 383.212 2.073 20 0 GEADLO Cn1cc(Br)c(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)n1 ZINC000293188244 532923308 /nfs/dbraw/zinc/92/33/08/532923308.db2.gz FBNJUJICKFUXGT-VIFPVBQESA-N 1 2 383.212 2.073 20 0 GEADLO C[N@@H+]1CCN(C2CCN(C(=O)Nc3ccc(Br)cc3)CC2)C(=O)C1 ZINC000367898579 532928560 /nfs/dbraw/zinc/92/85/60/532928560.db2.gz QULIBQOMUJZTJC-UHFFFAOYSA-N 1 2 395.301 2.219 20 0 GEADLO C[N@H+]1CCN(C2CCN(C(=O)Nc3ccc(Br)cc3)CC2)C(=O)C1 ZINC000367898579 532928562 /nfs/dbraw/zinc/92/85/62/532928562.db2.gz QULIBQOMUJZTJC-UHFFFAOYSA-N 1 2 395.301 2.219 20 0 GEADLO COc1sc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1Br ZINC000293545862 532928574 /nfs/dbraw/zinc/92/85/74/532928574.db2.gz DJBGPLUIGSMRMP-NSHDSACASA-N 1 2 387.303 2.440 20 0 GEADLO COc1sc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1Br ZINC000293545862 532928575 /nfs/dbraw/zinc/92/85/75/532928575.db2.gz DJBGPLUIGSMRMP-NSHDSACASA-N 1 2 387.303 2.440 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000293546238 532928610 /nfs/dbraw/zinc/92/86/10/532928610.db2.gz WHOWFNZQEKZYNR-TZMCWYRMSA-N 1 2 387.933 2.113 20 0 GEADLO COc1sc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1Br ZINC000293545859 532928627 /nfs/dbraw/zinc/92/86/27/532928627.db2.gz DJBGPLUIGSMRMP-LLVKDONJSA-N 1 2 387.303 2.440 20 0 GEADLO COc1sc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1Br ZINC000293545859 532928628 /nfs/dbraw/zinc/92/86/28/532928628.db2.gz DJBGPLUIGSMRMP-LLVKDONJSA-N 1 2 387.303 2.440 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c(OC(F)F)c1 ZINC000368042748 532929893 /nfs/dbraw/zinc/92/98/93/532929893.db2.gz OFNDYFZGWSCKIG-AWEZNQCLSA-N 1 2 378.441 2.152 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c(OC(F)F)c1 ZINC000368042748 532929895 /nfs/dbraw/zinc/92/98/95/532929895.db2.gz OFNDYFZGWSCKIG-AWEZNQCLSA-N 1 2 378.441 2.152 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000293372858 532926095 /nfs/dbraw/zinc/92/60/95/532926095.db2.gz PEQPWYGHIYDVCU-MRXNPFEDSA-N 1 2 396.329 2.452 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)[C@H]3CCCOC3)CC2)cs1 ZINC000368409822 532932144 /nfs/dbraw/zinc/93/21/44/532932144.db2.gz HKPFYIMJXSZGHK-INIZCTEOSA-N 1 2 387.571 2.016 20 0 GEADLO O=C1NC[C@H]2C[N@H+](Cc3c(F)ccc(I)c3F)CC[C@@H]12 ZINC000368216465 532930910 /nfs/dbraw/zinc/93/09/10/532930910.db2.gz STLCFKKYQSANOB-DTWKUNHWSA-N 1 2 392.187 2.137 20 0 GEADLO O=C1NC[C@H]2C[N@@H+](Cc3c(F)ccc(I)c3F)CC[C@@H]12 ZINC000368216465 532930912 /nfs/dbraw/zinc/93/09/12/532930912.db2.gz STLCFKKYQSANOB-DTWKUNHWSA-N 1 2 392.187 2.137 20 0 GEADLO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000368225013 532931009 /nfs/dbraw/zinc/93/10/09/532931009.db2.gz LNZATNDLVRZGTD-ZDUSSCGKSA-N 1 2 390.347 2.324 20 0 GEADLO C[C@@H](c1ccc(Br)cc1)[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000368225013 532931011 /nfs/dbraw/zinc/93/10/11/532931011.db2.gz LNZATNDLVRZGTD-ZDUSSCGKSA-N 1 2 390.347 2.324 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(F)cc3Br)C2)nn1 ZINC000368856061 532935010 /nfs/dbraw/zinc/93/50/10/532935010.db2.gz VDHSBTDLAXMOCD-LBPRGKRZSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(F)cc3Br)C2)nn1 ZINC000368856061 532935012 /nfs/dbraw/zinc/93/50/12/532935012.db2.gz VDHSBTDLAXMOCD-LBPRGKRZSA-N 1 2 383.221 2.413 20 0 GEADLO Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000368944086 532935781 /nfs/dbraw/zinc/93/57/81/532935781.db2.gz PPHXXOOUBSPHKJ-UHFFFAOYSA-N 1 2 376.463 2.357 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](Cc2ccnc(Br)c2)C[C@H]2CCCO2)C1 ZINC000293892473 532932832 /nfs/dbraw/zinc/93/28/32/532932832.db2.gz VHNNNVOWNAFARR-UONOGXRCSA-N 1 2 389.315 2.012 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccnc(Br)c2)C[C@H]2CCCO2)C1 ZINC000293892473 532932835 /nfs/dbraw/zinc/93/28/35/532932835.db2.gz VHNNNVOWNAFARR-UONOGXRCSA-N 1 2 389.315 2.012 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000368510700 532933048 /nfs/dbraw/zinc/93/30/48/532933048.db2.gz RUFGVNBSGMBJFI-CQSZACIVSA-N 1 2 379.258 2.466 20 0 GEADLO O=C1CCC(=O)N1CC[NH+]1CCN(c2nc(-c3cccs3)cs2)CC1 ZINC000369026884 532936566 /nfs/dbraw/zinc/93/65/66/532936566.db2.gz JQZLPRHQUMUVSP-UHFFFAOYSA-N 1 2 376.507 2.143 20 0 GEADLO C[N@@H+]1CCC[C@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@H]1c1cccc(Cl)c1 ZINC000369079746 532936717 /nfs/dbraw/zinc/93/67/17/532936717.db2.gz XNXGOJSVBJKDBO-GDBMZVCRSA-N 1 2 384.929 2.416 20 0 GEADLO C[N@H+]1CCC[C@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@H]1c1cccc(Cl)c1 ZINC000369079746 532936718 /nfs/dbraw/zinc/93/67/18/532936718.db2.gz XNXGOJSVBJKDBO-GDBMZVCRSA-N 1 2 384.929 2.416 20 0 GEADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000369225819 532937561 /nfs/dbraw/zinc/93/75/61/532937561.db2.gz KNQZBGUFWCSAFQ-LBPRGKRZSA-N 1 2 382.921 2.065 20 0 GEADLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000369225819 532937563 /nfs/dbraw/zinc/93/75/63/532937563.db2.gz KNQZBGUFWCSAFQ-LBPRGKRZSA-N 1 2 382.921 2.065 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1C[C@H](c2cccs2)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000369655068 532940180 /nfs/dbraw/zinc/94/01/80/532940180.db2.gz GMOAXQIXFQZZNK-JONQDZQNSA-N 1 2 384.567 2.350 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1C[C@H](c2cccs2)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000369655068 532940181 /nfs/dbraw/zinc/94/01/81/532940181.db2.gz GMOAXQIXFQZZNK-JONQDZQNSA-N 1 2 384.567 2.350 20 0 GEADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)CC3CCOCC3)CC2)cs1 ZINC000369674448 532940369 /nfs/dbraw/zinc/94/03/69/532940369.db2.gz UHFSOGBCFSXWMY-UHFFFAOYSA-N 1 2 387.571 2.010 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369321392 532938404 /nfs/dbraw/zinc/93/84/04/532938404.db2.gz IJXHNKWPWQEEIY-OAHLLOKOSA-N 1 2 387.864 2.478 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cnn3cc(Br)cnc23)C1 ZINC000369367015 532939087 /nfs/dbraw/zinc/93/90/87/532939087.db2.gz VGCCJOMZQAPEBY-LLVKDONJSA-N 1 2 389.257 2.245 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000370342832 532942890 /nfs/dbraw/zinc/94/28/90/532942890.db2.gz LUSSRWZXDQYJDI-YDHLFZDLSA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000370342832 532942891 /nfs/dbraw/zinc/94/28/91/532942891.db2.gz LUSSRWZXDQYJDI-YDHLFZDLSA-N 1 2 392.279 2.386 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370425096 532943442 /nfs/dbraw/zinc/94/34/42/532943442.db2.gz QXPHRVLWOBFSRZ-KGLIPLIRSA-N 1 2 383.286 2.150 20 0 GEADLO CCSCC[C@@H](C)N(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000369871338 532941152 /nfs/dbraw/zinc/94/11/52/532941152.db2.gz IACOEIFNZCUARV-NVXWUHKLSA-N 1 2 375.604 2.367 20 0 GEADLO CCc1cnc(CN(C)C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000370046657 532942026 /nfs/dbraw/zinc/94/20/26/532942026.db2.gz SUIAAFOHEVIFJB-KRWDZBQOSA-N 1 2 384.571 2.055 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccc(Br)cn1 ZINC000370896694 532946105 /nfs/dbraw/zinc/94/61/05/532946105.db2.gz CBJWBYPJMQWRHW-CQSZACIVSA-N 1 2 395.301 2.260 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccc(Br)cn1 ZINC000370896694 532946106 /nfs/dbraw/zinc/94/61/06/532946106.db2.gz CBJWBYPJMQWRHW-CQSZACIVSA-N 1 2 395.301 2.260 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000370953654 532946159 /nfs/dbraw/zinc/94/61/59/532946159.db2.gz OASTYAQWOGDGIG-DOMZBBRYSA-N 1 2 385.917 2.132 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000370953654 532946160 /nfs/dbraw/zinc/94/61/60/532946160.db2.gz OASTYAQWOGDGIG-DOMZBBRYSA-N 1 2 385.917 2.132 20 0 GEADLO COC(=O)c1ccc(CN2CC[C@H]([NH+]3CCOCC3)C2)c(Br)c1 ZINC000370608913 532944417 /nfs/dbraw/zinc/94/44/17/532944417.db2.gz RSPBNUGFBCJKPZ-HNNXBMFYSA-N 1 2 383.286 2.142 20 0 GEADLO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000370591760 532944470 /nfs/dbraw/zinc/94/44/70/532944470.db2.gz BDMLOHUEBQETTE-KGLIPLIRSA-N 1 2 385.555 2.091 20 0 GEADLO CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000370591760 532944471 /nfs/dbraw/zinc/94/44/71/532944471.db2.gz BDMLOHUEBQETTE-KGLIPLIRSA-N 1 2 385.555 2.091 20 0 GEADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(I)c1 ZINC000371308804 532947598 /nfs/dbraw/zinc/94/75/98/532947598.db2.gz SDNRXICSFMRYOT-SECBINFHSA-N 1 2 385.180 2.441 20 0 GEADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c(I)c1 ZINC000371308804 532947599 /nfs/dbraw/zinc/94/75/99/532947599.db2.gz SDNRXICSFMRYOT-SECBINFHSA-N 1 2 385.180 2.441 20 0 GEADLO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000371044534 532946644 /nfs/dbraw/zinc/94/66/44/532946644.db2.gz RBUNHRMAZIVVBO-LLVKDONJSA-N 1 2 378.274 2.273 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000371045674 532946722 /nfs/dbraw/zinc/94/67/22/532946722.db2.gz WKFAEBWOGJLQIQ-LBPRGKRZSA-N 1 2 382.873 2.075 20 0 GEADLO CCc1cnc(N2CC[NH+](CC(=O)N3CCc4sccc4C3)CC2)s1 ZINC000371104465 532947041 /nfs/dbraw/zinc/94/70/41/532947041.db2.gz QIJWHTIVSYBLOL-UHFFFAOYSA-N 1 2 376.551 2.474 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1Br ZINC000371163844 532947141 /nfs/dbraw/zinc/94/71/41/532947141.db2.gz IGHAYAXPXPKDDO-KRWDZBQOSA-N 1 2 383.286 2.060 20 0 GEADLO FC(F)(F)c1ccnc(N2CCC[C@H](c3n[nH]cc3C[NH+]3CCOCC3)C2)n1 ZINC000275640932 570697677 /nfs/dbraw/zinc/69/76/77/570697677.db2.gz NOQNVAWHTDCEOG-ZDUSSCGKSA-N 1 2 396.417 2.435 20 0 GEADLO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000736900252 598860869 /nfs/dbraw/zinc/86/08/69/598860869.db2.gz DKMAOAIKECLZGA-AEFFLSMTSA-N 1 2 393.451 2.059 20 0 GEADLO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000736900252 598860870 /nfs/dbraw/zinc/86/08/70/598860870.db2.gz DKMAOAIKECLZGA-AEFFLSMTSA-N 1 2 393.451 2.059 20 0 GEADLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000738207348 598899425 /nfs/dbraw/zinc/89/94/25/598899425.db2.gz HIRSNKXFLULLAY-AWEZNQCLSA-N 1 2 394.464 2.179 20 0 GEADLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000738207348 598899427 /nfs/dbraw/zinc/89/94/27/598899427.db2.gz HIRSNKXFLULLAY-AWEZNQCLSA-N 1 2 394.464 2.179 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=S)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736203840 598925817 /nfs/dbraw/zinc/92/58/17/598925817.db2.gz OKUCZNPMOBSLEX-AWEZNQCLSA-N 1 2 394.508 2.337 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736205738 598934175 /nfs/dbraw/zinc/93/41/75/598934175.db2.gz YHIFDYPSEGTEDM-HLRDLLSLSA-N 1 2 389.463 2.180 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000737301407 598950366 /nfs/dbraw/zinc/95/03/66/598950366.db2.gz LYIMPOQGAKKXNW-UHFFFAOYSA-N 1 2 381.421 2.162 20 0 GEADLO CCc1nc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cs1 ZINC000736699375 598961600 /nfs/dbraw/zinc/96/16/00/598961600.db2.gz NULYBPYBHFWNOW-SMDDNHRTSA-N 1 2 383.481 2.342 20 0 GEADLO COc1ccc(CC(N)=[NH+]OCCOc2ccc(-c3nn[nH]n3)cc2OC)cc1 ZINC000737089239 598979805 /nfs/dbraw/zinc/97/98/05/598979805.db2.gz WFPAPABZGLGIIY-UHFFFAOYSA-N 1 2 398.423 2.004 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000737033599 598981116 /nfs/dbraw/zinc/98/11/16/598981116.db2.gz YRESMVARJYABRJ-LJQANCHMSA-N 1 2 381.436 2.328 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000737033599 598981117 /nfs/dbraw/zinc/98/11/17/598981117.db2.gz YRESMVARJYABRJ-LJQANCHMSA-N 1 2 381.436 2.328 20 0 GEADLO FC(F)(F)c1csc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)n1 ZINC000737639199 599011144 /nfs/dbraw/zinc/01/11/44/599011144.db2.gz PAWUVDJNJRYQIS-UHFFFAOYSA-N 1 2 380.359 2.280 20 0 GEADLO C[C@H]1CCCN(c2cc(NCCOc3ccc(-c4nn[nH]n4)cc3)[nH+]cn2)C1 ZINC000820709221 599047874 /nfs/dbraw/zinc/04/78/74/599047874.db2.gz GDSKKFOIBVXEBM-AWEZNQCLSA-N 1 2 380.456 2.384 20 0 GEADLO C[C@H]1CCCN(c2cc(NCCOc3ccc(-c4nn[nH]n4)cc3)nc[nH+]2)C1 ZINC000820709221 599047877 /nfs/dbraw/zinc/04/78/77/599047877.db2.gz GDSKKFOIBVXEBM-AWEZNQCLSA-N 1 2 380.456 2.384 20 0 GEADLO Cc1nsc(N2CCCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)n1 ZINC000822530518 599087601 /nfs/dbraw/zinc/08/76/01/599087601.db2.gz FHWKHMACBYKUNU-UHFFFAOYSA-N 1 2 393.480 2.292 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730332 599089356 /nfs/dbraw/zinc/08/93/56/599089356.db2.gz JETWEPIXNWYKTF-CABCVRRESA-N 1 2 384.440 2.359 20 0 GEADLO CCCOCc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736488676 599090589 /nfs/dbraw/zinc/09/05/89/599090589.db2.gz RBVRDCWCIGCISX-GOSISDBHSA-N 1 2 380.452 2.110 20 0 GEADLO C[N@H+](CCOc1ccccc1Cl)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736804621 599184434 /nfs/dbraw/zinc/18/44/34/599184434.db2.gz SJOYCMYYRMKGPN-UHFFFAOYSA-N 1 2 386.843 2.469 20 0 GEADLO C[N@@H+](CCOc1ccccc1Cl)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736804621 599184438 /nfs/dbraw/zinc/18/44/38/599184438.db2.gz SJOYCMYYRMKGPN-UHFFFAOYSA-N 1 2 386.843 2.469 20 0 GEADLO C[C@H](NC(=O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820328601 599206082 /nfs/dbraw/zinc/20/60/82/599206082.db2.gz PVAZKSPREBLHPQ-AWEZNQCLSA-N 1 2 389.419 2.309 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000822449718 607265701 /nfs/dbraw/zinc/26/57/01/607265701.db2.gz LUMMRIAHIDTZCL-RMKNXTFCSA-N 1 2 391.435 2.059 20 0 GEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823249748 607301258 /nfs/dbraw/zinc/30/12/58/607301258.db2.gz IABKYPPZSVHMNN-UHFFFAOYSA-N 1 2 380.799 2.031 20 0 GEADLO CN(C(=O)NCCCCC(=O)[O-])[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000635530170 598170708 /nfs/dbraw/zinc/17/07/08/598170708.db2.gz RRBJPYCFOSYQOO-ROUUACIJSA-N 1 2 382.549 2.220 20 0 GEADLO CN(C(=O)NCCCCC(=O)[O-])[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000635530170 598170709 /nfs/dbraw/zinc/17/07/09/598170709.db2.gz RRBJPYCFOSYQOO-ROUUACIJSA-N 1 2 382.549 2.220 20 0 GEADLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735515092 598291011 /nfs/dbraw/zinc/29/10/11/598291011.db2.gz ZGYSSHGNYNBTPR-INIZCTEOSA-N 1 2 391.479 2.040 20 0 GEADLO S=C(NCCCCn1cc[nH+]c1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738400276 598323076 /nfs/dbraw/zinc/32/30/76/598323076.db2.gz CRYGMVIHVCSKMC-UHFFFAOYSA-N 1 2 376.877 2.483 20 0 GEADLO CCOCC[N@H+](CC)CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736617716 598469920 /nfs/dbraw/zinc/46/99/20/598469920.db2.gz FZUDOFFBWMMPSD-UHFFFAOYSA-N 1 2 392.529 2.494 20 0 GEADLO CCOCC[N@@H+](CC)CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736617716 598469921 /nfs/dbraw/zinc/46/99/21/598469921.db2.gz FZUDOFFBWMMPSD-UHFFFAOYSA-N 1 2 392.529 2.494 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCN(C)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000737548315 598470480 /nfs/dbraw/zinc/47/04/80/598470480.db2.gz NSDXXYYNDBWWAK-CQSZACIVSA-N 1 2 397.483 2.472 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCN(C)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000737548315 598470481 /nfs/dbraw/zinc/47/04/81/598470481.db2.gz NSDXXYYNDBWWAK-CQSZACIVSA-N 1 2 397.483 2.472 20 0 GEADLO CN1CC[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)Cc2ccccc21 ZINC000736863044 598526069 /nfs/dbraw/zinc/52/60/69/598526069.db2.gz HMDMZRAFVWBIPY-UHFFFAOYSA-N 1 2 397.870 2.411 20 0 GEADLO CN1CC[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)Cc2ccccc21 ZINC000736863044 598526071 /nfs/dbraw/zinc/52/60/71/598526071.db2.gz HMDMZRAFVWBIPY-UHFFFAOYSA-N 1 2 397.870 2.411 20 0 GEADLO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cn1nccc1-c1ccncc1 ZINC000737002010 598566793 /nfs/dbraw/zinc/56/67/93/598566793.db2.gz JJJQJPSHRVECOO-UHFFFAOYSA-N 1 2 390.451 2.231 20 0 GEADLO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cn1nccc1-c1ccncc1 ZINC000737002010 598566794 /nfs/dbraw/zinc/56/67/94/598566794.db2.gz JJJQJPSHRVECOO-UHFFFAOYSA-N 1 2 390.451 2.231 20 0 GEADLO COc1cc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)ccc1SC ZINC000737045829 598593995 /nfs/dbraw/zinc/59/39/95/598593995.db2.gz PBIOOHLQHBBAJT-UHFFFAOYSA-N 1 2 397.508 2.314 20 0 GEADLO O=C(CSc1ccc(-c2nn[nH]n2)cc1)NCC[NH+]1Cc2ccccc2C1 ZINC000737942048 598667873 /nfs/dbraw/zinc/66/78/73/598667873.db2.gz SROLEPJEGULLNY-UHFFFAOYSA-N 1 2 380.477 2.091 20 0 GEADLO O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000737933678 598670645 /nfs/dbraw/zinc/67/06/45/598670645.db2.gz YYJIEYSBGPWECX-MRXNPFEDSA-N 1 2 383.481 2.160 20 0 GEADLO COc1ccc2c(c1)C[N@H+]([C@H]1CCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000821849600 607364059 /nfs/dbraw/zinc/36/40/59/607364059.db2.gz MTPGVZRMQMHMDP-IBGZPJMESA-N 1 2 390.447 2.039 20 0 GEADLO COc1ccc2c(c1)C[N@@H+]([C@H]1CCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000821849600 607364060 /nfs/dbraw/zinc/36/40/60/607364060.db2.gz MTPGVZRMQMHMDP-IBGZPJMESA-N 1 2 390.447 2.039 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736096444 598682837 /nfs/dbraw/zinc/68/28/37/598682837.db2.gz MGJLDKRCIXPGNZ-ZDUSSCGKSA-N 1 2 390.407 2.069 20 0 GEADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccc1F ZINC000737234503 598749950 /nfs/dbraw/zinc/74/99/50/598749950.db2.gz MGCPOAKVAXRSKX-UHFFFAOYSA-N 1 2 380.427 2.272 20 0 GEADLO O=C(C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)NCc1cccs1 ZINC000737874880 598766885 /nfs/dbraw/zinc/76/68/85/598766885.db2.gz DNOWLNCRXXCBTQ-UHFFFAOYSA-N 1 2 398.492 2.088 20 0 GEADLO O=C(C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)Nc1ccccc1 ZINC000737877161 598766892 /nfs/dbraw/zinc/76/68/92/598766892.db2.gz UVQUTIHRBGNERO-UHFFFAOYSA-N 1 2 378.436 2.349 20 0 GEADLO CCc1csc(NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000821499318 599297520 /nfs/dbraw/zinc/29/75/20/599297520.db2.gz IGJVSPHCMYCVRP-UHFFFAOYSA-N 1 2 398.496 2.235 20 0 GEADLO CCC[C@H]1CC(=O)N(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821034991 599328614 /nfs/dbraw/zinc/32/86/14/599328614.db2.gz YATVRTGWTYOONZ-HNNXBMFYSA-N 1 2 384.484 2.316 20 0 GEADLO CCC[C@H]1CC(=O)N(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000821034395 599329335 /nfs/dbraw/zinc/32/93/35/599329335.db2.gz LPHKJPJLYPTBTK-HNNXBMFYSA-N 1 2 384.484 2.316 20 0 GEADLO Cc1cc(NNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)nc(C)[nH+]1 ZINC000737279517 599369656 /nfs/dbraw/zinc/36/96/56/599369656.db2.gz FDOSVLAJEHSTKO-UHFFFAOYSA-N 1 2 375.849 2.240 20 0 GEADLO Cc1cc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)c4ccccc4n3)CC2)on1 ZINC000737264393 599400144 /nfs/dbraw/zinc/40/01/44/599400144.db2.gz ZUHATEWKVKRDBQ-UHFFFAOYSA-N 1 2 376.424 2.034 20 0 GEADLO COc1ccc(Cl)cc1C[NH+]1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC000737098282 599404939 /nfs/dbraw/zinc/40/49/39/599404939.db2.gz AXGMMWHNFWXUHS-UHFFFAOYSA-N 1 2 385.859 2.246 20 0 GEADLO O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)c1 ZINC000823261896 599410648 /nfs/dbraw/zinc/41/06/48/599410648.db2.gz WBYKQEPGFXNQAC-UHFFFAOYSA-N 1 2 378.392 2.273 20 0 GEADLO C[C@@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820366485 599424020 /nfs/dbraw/zinc/42/40/20/599424020.db2.gz OKNIEVGSYWLOBG-CQSZACIVSA-N 1 2 377.452 2.243 20 0 GEADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736905109 599444877 /nfs/dbraw/zinc/44/48/77/599444877.db2.gz AJRFIGREXXXZLO-SFHVURJKSA-N 1 2 394.435 2.041 20 0 GEADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736905109 599444880 /nfs/dbraw/zinc/44/48/80/599444880.db2.gz AJRFIGREXXXZLO-SFHVURJKSA-N 1 2 394.435 2.041 20 0 GEADLO Cc1cccc2c(N[C@H](C)C(=O)NCc3ccccc3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822335747 599491260 /nfs/dbraw/zinc/49/12/60/599491260.db2.gz LJFCDZOZBHEHKS-CQSZACIVSA-N 1 2 387.447 2.262 20 0 GEADLO CC(C)CC(=O)N1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000820051705 599496842 /nfs/dbraw/zinc/49/68/42/599496842.db2.gz SSZFODNIGGTJBC-UHFFFAOYSA-N 1 2 379.468 2.286 20 0 GEADLO FC(F)(F)CN1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822719005 599501307 /nfs/dbraw/zinc/50/13/07/599501307.db2.gz XNDJBGKJZQLZJW-UHFFFAOYSA-N 1 2 377.374 2.275 20 0 GEADLO O=C1[C@@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CCN1Cc1ccccc1 ZINC000823513232 599501815 /nfs/dbraw/zinc/50/18/15/599501815.db2.gz UETXAZNRKLVZAB-SFHVURJKSA-N 1 2 385.431 2.050 20 0 GEADLO Cc1cccc2c(NCC(=O)N3CCc4ccccc43)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822336407 599517112 /nfs/dbraw/zinc/51/71/12/599517112.db2.gz PSZULTNSQJCJED-UHFFFAOYSA-N 1 2 385.431 2.146 20 0 GEADLO Cc1nc(C[N@@H+]2CCCN(c3snc(Cl)c3-c3nn[nH]n3)CC2)oc1C ZINC000822439984 599535319 /nfs/dbraw/zinc/53/53/19/599535319.db2.gz HMWACCBEEVCPBN-UHFFFAOYSA-N 1 2 394.892 2.294 20 0 GEADLO Cc1nc(C[N@H+]2CCCN(c3snc(Cl)c3-c3nn[nH]n3)CC2)oc1C ZINC000822439984 599535322 /nfs/dbraw/zinc/53/53/22/599535322.db2.gz HMWACCBEEVCPBN-UHFFFAOYSA-N 1 2 394.892 2.294 20 0 GEADLO O=C1CCCCN1[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000823526126 599554220 /nfs/dbraw/zinc/55/42/20/599554220.db2.gz ZKHNVBCYFKOQQB-CQSZACIVSA-N 1 2 377.452 2.396 20 0 GEADLO C[N@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)[C@@H](CO)c1ccccc1 ZINC000821618193 599571021 /nfs/dbraw/zinc/57/10/21/599571021.db2.gz USEGXIGLLRMNKY-INIZCTEOSA-N 1 2 377.408 2.082 20 0 GEADLO C[N@@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)[C@@H](CO)c1ccccc1 ZINC000821618193 599571023 /nfs/dbraw/zinc/57/10/23/599571023.db2.gz USEGXIGLLRMNKY-INIZCTEOSA-N 1 2 377.408 2.082 20 0 GEADLO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000737505063 600317674 /nfs/dbraw/zinc/31/76/74/600317674.db2.gz CGPRTPZBXVNXIU-LJQANCHMSA-N 1 2 395.463 2.255 20 0 GEADLO C[C@@H]1C[C@@H]([NH+](C)CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CC[N@@H+]1C ZINC000736759751 600967664 /nfs/dbraw/zinc/96/76/64/600967664.db2.gz KFAHSAACPLYEKZ-ALKREAHSSA-N 1 2 386.496 2.136 20 0 GEADLO C[C@@H]1C[C@@H]([NH+](C)CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CC[N@H+]1C ZINC000736759751 600967666 /nfs/dbraw/zinc/96/76/66/600967666.db2.gz KFAHSAACPLYEKZ-ALKREAHSSA-N 1 2 386.496 2.136 20 0 GEADLO C[C@@H]1C[C@@H]([N@H+](C)CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CC[NH+]1C ZINC000736759751 600967667 /nfs/dbraw/zinc/96/76/67/600967667.db2.gz KFAHSAACPLYEKZ-ALKREAHSSA-N 1 2 386.496 2.136 20 0 GEADLO C[C@@H]1C[C@@H]([N@@H+](C)CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CC[NH+]1C ZINC000736759751 600967669 /nfs/dbraw/zinc/96/76/69/600967669.db2.gz KFAHSAACPLYEKZ-ALKREAHSSA-N 1 2 386.496 2.136 20 0 GEADLO O=C([O-])C1CCN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000833190217 601306888 /nfs/dbraw/zinc/30/68/88/601306888.db2.gz RQOYVVXFFRDSAC-QHCPKHFHSA-N 1 2 399.535 2.298 20 0 GEADLO O=C([O-])C1CCN(C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000833190217 601306890 /nfs/dbraw/zinc/30/68/90/601306890.db2.gz RQOYVVXFFRDSAC-QHCPKHFHSA-N 1 2 399.535 2.298 20 0 GEADLO O=C([O-])C1CCN(C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000833190217 601306894 /nfs/dbraw/zinc/30/68/94/601306894.db2.gz RQOYVVXFFRDSAC-QHCPKHFHSA-N 1 2 399.535 2.298 20 0 GEADLO O=C([O-])C1CCN(C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000833190217 601306897 /nfs/dbraw/zinc/30/68/97/601306897.db2.gz RQOYVVXFFRDSAC-QHCPKHFHSA-N 1 2 399.535 2.298 20 0 GEADLO O=C([O-])CC1([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCCC1 ZINC000833204615 601554117 /nfs/dbraw/zinc/55/41/17/601554117.db2.gz CCOPGRHAUMBBPK-UHFFFAOYSA-N 1 2 389.496 2.225 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@](C)(C(=O)[O-])C3)CC2)cc1 ZINC000262747434 601934782 /nfs/dbraw/zinc/93/47/82/601934782.db2.gz ARFNQOCXCNXRKW-JOCHJYFZSA-N 1 2 387.524 2.251 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@](C)(C(=O)[O-])C3)CC2)cc1 ZINC000262747434 601934784 /nfs/dbraw/zinc/93/47/84/601934784.db2.gz ARFNQOCXCNXRKW-JOCHJYFZSA-N 1 2 387.524 2.251 20 0 GEADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cc(-c3nn[nH]n3)cn2C)c(C)c1 ZINC000826284047 607540155 /nfs/dbraw/zinc/54/01/55/607540155.db2.gz IPIMERJOFZTERU-KRWDZBQOSA-N 1 2 390.451 2.190 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000826181704 607578726 /nfs/dbraw/zinc/57/87/26/607578726.db2.gz KTIGRGRAJCVUOA-QGZVFWFLSA-N 1 2 396.426 2.252 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000826181704 607578728 /nfs/dbraw/zinc/57/87/28/607578728.db2.gz KTIGRGRAJCVUOA-QGZVFWFLSA-N 1 2 396.426 2.252 20 0 GEADLO C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823654554 602925041 /nfs/dbraw/zinc/92/50/41/602925041.db2.gz KNBZCBDSOISQEF-QFBILLFUSA-N 1 2 390.528 2.116 20 0 GEADLO C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823654554 602925042 /nfs/dbraw/zinc/92/50/42/602925042.db2.gz KNBZCBDSOISQEF-QFBILLFUSA-N 1 2 390.528 2.116 20 0 GEADLO C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(NC(=O)[O-])cc3Cl)C2)CC1 ZINC000739727789 603311332 /nfs/dbraw/zinc/31/13/32/603311332.db2.gz KKZRWQWYVMMKFR-CYBMUJFWSA-N 1 2 380.876 2.328 20 0 GEADLO C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(NC(=O)[O-])cc3Cl)C2)CC1 ZINC000739727789 603311338 /nfs/dbraw/zinc/31/13/38/603311338.db2.gz KKZRWQWYVMMKFR-CYBMUJFWSA-N 1 2 380.876 2.328 20 0 GEADLO ClC1(Cl)C[C@H]1C[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826350237 607643912 /nfs/dbraw/zinc/64/39/12/607643912.db2.gz NKHQPULWELZYCS-JTQLQIEISA-N 1 2 384.271 2.048 20 0 GEADLO O=C([O-])c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c[nH]1 ZINC000833778645 604621763 /nfs/dbraw/zinc/62/17/63/604621763.db2.gz DKXNHRSNINUJGJ-KRWDZBQOSA-N 1 2 383.496 2.142 20 0 GEADLO O=C([O-])c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c[nH]1 ZINC000833778645 604621767 /nfs/dbraw/zinc/62/17/67/604621767.db2.gz DKXNHRSNINUJGJ-KRWDZBQOSA-N 1 2 383.496 2.142 20 0 GEADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000444341242 649946992 /nfs/dbraw/zinc/94/69/92/649946992.db2.gz KRQKDFQLJOBOKG-GXTWGEPZSA-N 1 2 377.794 2.112 20 0 GEADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000444341242 649946996 /nfs/dbraw/zinc/94/69/96/649946996.db2.gz KRQKDFQLJOBOKG-GXTWGEPZSA-N 1 2 377.794 2.112 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c(-c2nn[nH]n2)c1C ZINC000822559225 606107886 /nfs/dbraw/zinc/10/78/86/606107886.db2.gz YTAHHZKOBSQWCW-CYBMUJFWSA-N 1 2 398.496 2.153 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3ccncn3)C2)c(-c2nn[nH]n2)c1C ZINC000822559225 606107887 /nfs/dbraw/zinc/10/78/87/606107887.db2.gz YTAHHZKOBSQWCW-CYBMUJFWSA-N 1 2 398.496 2.153 20 0 GEADLO C[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000821604843 606185641 /nfs/dbraw/zinc/18/56/41/606185641.db2.gz JOXXONAPXNFBAT-GOSISDBHSA-N 1 2 383.477 2.260 20 0 GEADLO C[N@@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000821604843 606185643 /nfs/dbraw/zinc/18/56/43/606185643.db2.gz JOXXONAPXNFBAT-GOSISDBHSA-N 1 2 383.477 2.260 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000822332332 606216590 /nfs/dbraw/zinc/21/65/90/606216590.db2.gz OOVFWVJSTOQBPL-CQSZACIVSA-N 1 2 379.468 2.464 20 0 GEADLO CC[C@@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1nccs1 ZINC000820926993 606307327 /nfs/dbraw/zinc/30/73/27/606307327.db2.gz YKZRYBBUONISDT-GHMZBOCLSA-N 1 2 375.483 2.231 20 0 GEADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000821651865 606319233 /nfs/dbraw/zinc/31/92/33/606319233.db2.gz HPGQAYKHMZJVMQ-ROUUACIJSA-N 1 2 378.436 2.267 20 0 GEADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000821651865 606319235 /nfs/dbraw/zinc/31/92/35/606319235.db2.gz HPGQAYKHMZJVMQ-ROUUACIJSA-N 1 2 378.436 2.267 20 0 GEADLO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822477255 606617129 /nfs/dbraw/zinc/61/71/29/606617129.db2.gz KNJUQJAVAWZSNQ-INIZCTEOSA-N 1 2 391.439 2.086 20 0 GEADLO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822477255 606617131 /nfs/dbraw/zinc/61/71/31/606617131.db2.gz KNJUQJAVAWZSNQ-INIZCTEOSA-N 1 2 391.439 2.086 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)c(Cl)c1 ZINC000821795030 606618468 /nfs/dbraw/zinc/61/84/68/606618468.db2.gz RVPKHCMHTYXMKW-UHFFFAOYSA-N 1 2 385.859 2.246 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000821267458 606630410 /nfs/dbraw/zinc/63/04/10/606630410.db2.gz OTNBHANPHQJNJQ-NSHDSACASA-N 1 2 380.905 2.165 20 0 GEADLO C[C@@]1(c2ccccc2)CC[N@H+](CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820637068 606717773 /nfs/dbraw/zinc/71/77/73/606717773.db2.gz WQVFDAGNRNZAEM-HXUWFJFHSA-N 1 2 397.504 2.304 20 0 GEADLO C[C@@]1(c2ccccc2)CC[N@@H+](CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820637068 606717774 /nfs/dbraw/zinc/71/77/74/606717774.db2.gz WQVFDAGNRNZAEM-HXUWFJFHSA-N 1 2 397.504 2.304 20 0 GEADLO O=C(C[N@@H+]1CCc2ccccc2[C@@H]1CO)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000823002473 606720320 /nfs/dbraw/zinc/72/03/20/606720320.db2.gz ZELPZTIHTZZRSN-KRWDZBQOSA-N 1 2 398.854 2.050 20 0 GEADLO O=C(C[N@H+]1CCc2ccccc2[C@@H]1CO)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000823002473 606720322 /nfs/dbraw/zinc/72/03/22/606720322.db2.gz ZELPZTIHTZZRSN-KRWDZBQOSA-N 1 2 398.854 2.050 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000822335910 606729474 /nfs/dbraw/zinc/72/94/74/606729474.db2.gz NPFDTYNXUBATBQ-HXUWFJFHSA-N 1 2 390.451 2.209 20 0 GEADLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)[nH]1 ZINC000822436732 606755419 /nfs/dbraw/zinc/75/54/19/606755419.db2.gz PXYZPDWWQIRYSK-ZDUSSCGKSA-N 1 2 390.398 2.274 20 0 GEADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)[nH]1 ZINC000822436732 606755421 /nfs/dbraw/zinc/75/54/21/606755421.db2.gz PXYZPDWWQIRYSK-ZDUSSCGKSA-N 1 2 390.398 2.274 20 0 GEADLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)n1 ZINC000822436732 606755422 /nfs/dbraw/zinc/75/54/22/606755422.db2.gz PXYZPDWWQIRYSK-ZDUSSCGKSA-N 1 2 390.398 2.274 20 0 GEADLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)n1 ZINC000822436732 606755425 /nfs/dbraw/zinc/75/54/25/606755425.db2.gz PXYZPDWWQIRYSK-ZDUSSCGKSA-N 1 2 390.398 2.274 20 0 GEADLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)n[nH]1 ZINC000822436732 606755426 /nfs/dbraw/zinc/75/54/26/606755426.db2.gz PXYZPDWWQIRYSK-ZDUSSCGKSA-N 1 2 390.398 2.274 20 0 GEADLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)n[nH]1 ZINC000822436732 606755428 /nfs/dbraw/zinc/75/54/28/606755428.db2.gz PXYZPDWWQIRYSK-ZDUSSCGKSA-N 1 2 390.398 2.274 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000822135498 606774138 /nfs/dbraw/zinc/77/41/38/606774138.db2.gz CJNJSLRMXBHAFV-UHFFFAOYSA-N 1 2 378.436 2.355 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCc1ccccc1Cl ZINC000820788999 606782601 /nfs/dbraw/zinc/78/26/01/606782601.db2.gz SWBXPCARROPWSF-CYBMUJFWSA-N 1 2 384.875 2.063 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCc1ccccc1Cl ZINC000820788999 606782603 /nfs/dbraw/zinc/78/26/03/606782603.db2.gz SWBXPCARROPWSF-CYBMUJFWSA-N 1 2 384.875 2.063 20 0 GEADLO Cc1cccc(CN2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822304339 606846479 /nfs/dbraw/zinc/84/64/79/606846479.db2.gz TWSOJSANAZYIBT-FQEVSTJZSA-N 1 2 378.480 2.026 20 0 GEADLO CC(C)COC(=O)N1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820097505 606890870 /nfs/dbraw/zinc/89/08/70/606890870.db2.gz PFLJRXLWPBQZAB-UHFFFAOYSA-N 1 2 388.472 2.046 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](Oc2ccccn2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822992115 606932004 /nfs/dbraw/zinc/93/20/04/606932004.db2.gz IRHYDYLHTDLZGI-ZDUSSCGKSA-N 1 2 399.842 2.007 20 0 GEADLO O=C(C[N@H+]1CC[C@H](Oc2ccccn2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822992115 606932005 /nfs/dbraw/zinc/93/20/05/606932005.db2.gz IRHYDYLHTDLZGI-ZDUSSCGKSA-N 1 2 399.842 2.007 20 0 GEADLO Fc1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1-c1nn[nH]n1 ZINC000822771100 606975157 /nfs/dbraw/zinc/97/51/57/606975157.db2.gz BEGKPRJHPDIECO-UHFFFAOYSA-N 1 2 387.850 2.372 20 0 GEADLO CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)c3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC000820197584 607046663 /nfs/dbraw/zinc/04/66/63/607046663.db2.gz METSMGLXFJJVCL-MRXNPFEDSA-N 1 2 395.467 2.325 20 0 GEADLO CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC000820197584 607046664 /nfs/dbraw/zinc/04/66/64/607046664.db2.gz METSMGLXFJJVCL-MRXNPFEDSA-N 1 2 395.467 2.325 20 0 GEADLO CN1CC[N@H+](C)C[C@H]1CNC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000446047091 649969489 /nfs/dbraw/zinc/96/94/89/649969489.db2.gz NPZOKIZSMYHAAO-SNVBAGLBSA-N 1 2 378.325 2.380 20 0 GEADLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000446047091 649969494 /nfs/dbraw/zinc/96/94/94/649969494.db2.gz NPZOKIZSMYHAAO-SNVBAGLBSA-N 1 2 378.325 2.380 20 0 GEADLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821611079 607068766 /nfs/dbraw/zinc/06/87/66/607068766.db2.gz PTRBYJKNHHAEFA-UHFFFAOYSA-N 1 2 375.429 2.041 20 0 GEADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821611079 607068767 /nfs/dbraw/zinc/06/87/67/607068767.db2.gz PTRBYJKNHHAEFA-UHFFFAOYSA-N 1 2 375.429 2.041 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000821763485 607094575 /nfs/dbraw/zinc/09/45/75/607094575.db2.gz ZTBBHPYETYYPCS-IUODEOHRSA-N 1 2 382.428 2.187 20 0 GEADLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1F ZINC000822284182 607150871 /nfs/dbraw/zinc/15/08/71/607150871.db2.gz LIXMNPAJUUVIJT-UHFFFAOYSA-N 1 2 380.427 2.272 20 0 GEADLO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000826452343 607803659 /nfs/dbraw/zinc/80/36/59/607803659.db2.gz QDUBQWPJOAENOC-GFCCVEGCSA-N 1 2 384.831 2.316 20 0 GEADLO C[C@@H]1COCC[N@H+](CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C1 ZINC000825006912 607832368 /nfs/dbraw/zinc/83/23/68/607832368.db2.gz SKSLRIBWTJDIDC-LBPRGKRZSA-N 1 2 390.513 2.104 20 0 GEADLO C[C@@H]1COCC[N@@H+](CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C1 ZINC000825006912 607832369 /nfs/dbraw/zinc/83/23/69/607832369.db2.gz SKSLRIBWTJDIDC-LBPRGKRZSA-N 1 2 390.513 2.104 20 0 GEADLO Cc1cc(C[NH+]2CCN(c3ccc4cc(-c5nn[nH]n5)ccc4n3)CC2)on1 ZINC000826266621 607838926 /nfs/dbraw/zinc/83/89/26/607838926.db2.gz WBLKOTWRERCNGG-UHFFFAOYSA-N 1 2 376.424 2.034 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826028779 607855626 /nfs/dbraw/zinc/85/56/26/607855626.db2.gz HYZKKMMJSYLAAA-DOMZBBRYSA-N 1 2 389.822 2.163 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826028779 607855627 /nfs/dbraw/zinc/85/56/27/607855627.db2.gz HYZKKMMJSYLAAA-DOMZBBRYSA-N 1 2 389.822 2.163 20 0 GEADLO CS[C@@H](C)CC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000826224695 607937588 /nfs/dbraw/zinc/93/75/88/607937588.db2.gz KCXSGXZMFIKQGJ-ZDUSSCGKSA-N 1 2 397.508 2.205 20 0 GEADLO Cc1ccc(N2CCC(C(=O)N3CCc4ccc(-c5nn[nH]n5)cc43)CC2)[nH+]c1 ZINC000826289634 607949370 /nfs/dbraw/zinc/94/93/70/607949370.db2.gz HLIVJEDNHYRJON-UHFFFAOYSA-N 1 2 389.463 2.376 20 0 GEADLO CC[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2Br)CC[N@@H+]1CCOC ZINC000825212942 607990261 /nfs/dbraw/zinc/99/02/61/607990261.db2.gz VAIAMSUEZBWBQB-CYBMUJFWSA-N 1 2 395.305 2.176 20 0 GEADLO CC[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2Br)CC[N@H+]1CCOC ZINC000825212942 607990262 /nfs/dbraw/zinc/99/02/62/607990262.db2.gz VAIAMSUEZBWBQB-CYBMUJFWSA-N 1 2 395.305 2.176 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000826029164 608041185 /nfs/dbraw/zinc/04/11/85/608041185.db2.gz PUTRXSNCXVACAE-GOEBONIOSA-N 1 2 383.843 2.090 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000826029164 608041186 /nfs/dbraw/zinc/04/11/86/608041186.db2.gz PUTRXSNCXVACAE-GOEBONIOSA-N 1 2 383.843 2.090 20 0 GEADLO c1cc2nsnc2c(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826513268 608067936 /nfs/dbraw/zinc/06/79/36/608067936.db2.gz GIILRGNSGHXQII-INIZCTEOSA-N 1 2 379.449 2.445 20 0 GEADLO c1cc2nsnc2c(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826513268 608067937 /nfs/dbraw/zinc/06/79/37/608067937.db2.gz GIILRGNSGHXQII-INIZCTEOSA-N 1 2 379.449 2.445 20 0 GEADLO C[N@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1ccc(Cl)c(F)c1 ZINC000825892351 608105663 /nfs/dbraw/zinc/10/56/63/608105663.db2.gz KZDKERDVQWXSDW-UHFFFAOYSA-N 1 2 388.834 2.407 20 0 GEADLO C[N@@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1ccc(Cl)c(F)c1 ZINC000825892351 608105664 /nfs/dbraw/zinc/10/56/64/608105664.db2.gz KZDKERDVQWXSDW-UHFFFAOYSA-N 1 2 388.834 2.407 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826410710 608128804 /nfs/dbraw/zinc/12/88/04/608128804.db2.gz WFXUDQNPDYGZGB-QGZVFWFLSA-N 1 2 382.399 2.098 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826410710 608128805 /nfs/dbraw/zinc/12/88/05/608128805.db2.gz WFXUDQNPDYGZGB-QGZVFWFLSA-N 1 2 382.399 2.098 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1Cl ZINC000826195450 608153204 /nfs/dbraw/zinc/15/32/04/608153204.db2.gz UWYDLNMWGDLPOG-UHFFFAOYSA-N 1 2 385.859 2.246 20 0 GEADLO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 ZINC000825399634 608157829 /nfs/dbraw/zinc/15/78/29/608157829.db2.gz ZUYRVRDMLUTPOQ-RBUKOAKNSA-N 1 2 395.463 2.445 20 0 GEADLO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 ZINC000825399634 608157831 /nfs/dbraw/zinc/15/78/31/608157831.db2.gz ZUYRVRDMLUTPOQ-RBUKOAKNSA-N 1 2 395.463 2.445 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2cccc(Cl)c2-c2nn[nH]n2)CC1 ZINC000825460532 608205760 /nfs/dbraw/zinc/20/57/60/608205760.db2.gz ZROMWTZCUUXBIJ-NSHDSACASA-N 1 2 380.905 2.165 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@H](Nc2cccc(-c3nn[nH]n3)n2)c2ccc(Cl)cc2)C1 ZINC000826045100 608234791 /nfs/dbraw/zinc/23/47/91/608234791.db2.gz PFRJMNLIOKYXEC-NVXWUHKLSA-N 1 2 385.859 2.399 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@H](Nc2cccc(-c3nn[nH]n3)n2)c2ccc(Cl)cc2)C1 ZINC000826045100 608234793 /nfs/dbraw/zinc/23/47/93/608234793.db2.gz PFRJMNLIOKYXEC-NVXWUHKLSA-N 1 2 385.859 2.399 20 0 GEADLO O=C(OCCn1cc[nH+]c1)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000826464494 608255510 /nfs/dbraw/zinc/25/55/10/608255510.db2.gz YUNVDETZKMIXIM-UHFFFAOYSA-N 1 2 377.364 2.108 20 0 GEADLO CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000825594747 608268586 /nfs/dbraw/zinc/26/85/86/608268586.db2.gz PZYYCIVTPSVBAM-LBPRGKRZSA-N 1 2 392.529 2.492 20 0 GEADLO CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000825594747 608268587 /nfs/dbraw/zinc/26/85/87/608268587.db2.gz PZYYCIVTPSVBAM-LBPRGKRZSA-N 1 2 392.529 2.492 20 0 GEADLO CCOCC[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCC1 ZINC000825594999 608268697 /nfs/dbraw/zinc/26/86/97/608268697.db2.gz UFWXNWFCOJEKLR-UHFFFAOYSA-N 1 2 389.504 2.307 20 0 GEADLO CCOCC[N@@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCC1 ZINC000825594999 608268698 /nfs/dbraw/zinc/26/86/98/608268698.db2.gz UFWXNWFCOJEKLR-UHFFFAOYSA-N 1 2 389.504 2.307 20 0 GEADLO CC1(C)c2ccccc2CC[N@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824817538 608330934 /nfs/dbraw/zinc/33/09/34/608330934.db2.gz OOIXYSLMYVFFFG-UHFFFAOYSA-N 1 2 397.504 2.434 20 0 GEADLO CC1(C)c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824817538 608330935 /nfs/dbraw/zinc/33/09/35/608330935.db2.gz OOIXYSLMYVFFFG-UHFFFAOYSA-N 1 2 397.504 2.434 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000826169453 608375657 /nfs/dbraw/zinc/37/56/57/608375657.db2.gz SOBCBMIPZZANQK-CYBMUJFWSA-N 1 2 388.472 2.317 20 0 GEADLO CN(Cc1cnccn1)c1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000825992324 608379605 /nfs/dbraw/zinc/37/96/05/608379605.db2.gz VUDFVUDSXFRQNO-UHFFFAOYSA-N 1 2 384.350 2.443 20 0 GEADLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)CC2)[nH]n1 ZINC000826265704 608384590 /nfs/dbraw/zinc/38/45/90/608384590.db2.gz JWZBNPPLRGKQRV-LBPRGKRZSA-N 1 2 398.471 2.315 20 0 GEADLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)CC2)n[nH]1 ZINC000826265704 608384592 /nfs/dbraw/zinc/38/45/92/608384592.db2.gz JWZBNPPLRGKQRV-LBPRGKRZSA-N 1 2 398.471 2.315 20 0 GEADLO CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000825435260 608411660 /nfs/dbraw/zinc/41/16/60/608411660.db2.gz RMKNIQYDGBQFDJ-UHFFFAOYSA-N 1 2 376.436 2.447 20 0 GEADLO CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000825435260 608411661 /nfs/dbraw/zinc/41/16/61/608411661.db2.gz RMKNIQYDGBQFDJ-UHFFFAOYSA-N 1 2 376.436 2.447 20 0 GEADLO C[C@H]([NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)c1ccc2c(c1)OCO2 ZINC000824632511 608430441 /nfs/dbraw/zinc/43/04/41/608430441.db2.gz APZNHZJFOBQWRH-NSHDSACASA-N 1 2 391.391 2.496 20 0 GEADLO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1c(F)cccc1F ZINC000824600183 608433439 /nfs/dbraw/zinc/43/34/39/608433439.db2.gz XHOQVVPVYNTOIT-NSHDSACASA-N 1 2 393.419 2.269 20 0 GEADLO Cc1ccc2ncc(C[NH+]3CCN(c4cccc(F)c4-c4nn[nH]n4)CC3)n2c1 ZINC000826295611 608596327 /nfs/dbraw/zinc/59/63/27/608596327.db2.gz PNGRXKMMHYFNFT-UHFFFAOYSA-N 1 2 392.442 2.284 20 0 GEADLO CC(=O)Nc1ccccc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000824005441 608638480 /nfs/dbraw/zinc/63/84/80/608638480.db2.gz SDKFKBGCNAGLLV-UHFFFAOYSA-N 1 2 395.442 2.286 20 0 GEADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825176412 608677449 /nfs/dbraw/zinc/67/74/49/608677449.db2.gz SDZZSAQIVZOUBD-LJQANCHMSA-N 1 2 392.463 2.156 20 0 GEADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825176412 608677451 /nfs/dbraw/zinc/67/74/51/608677451.db2.gz SDZZSAQIVZOUBD-LJQANCHMSA-N 1 2 392.463 2.156 20 0 GEADLO C[C@@H](c1nc(C2CC2)no1)N1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824779868 608686710 /nfs/dbraw/zinc/68/67/10/608686710.db2.gz XRBYLFCJQIDAOU-NSHDSACASA-N 1 2 386.485 2.067 20 0 GEADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824772053 608798411 /nfs/dbraw/zinc/79/84/11/608798411.db2.gz SUQRQOWCGDUCLH-QRWLVFNGSA-N 1 2 396.470 2.418 20 0 GEADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824772049 608798473 /nfs/dbraw/zinc/79/84/73/608798473.db2.gz SUQRQOWCGDUCLH-FOIQADDNSA-N 1 2 396.470 2.418 20 0 GEADLO O[C@@H]1C[C@H](c2ccc(F)c(F)c2)[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826506156 608852234 /nfs/dbraw/zinc/85/22/34/608852234.db2.gz NSTMKSRDEAHCRQ-RHSMWYFYSA-N 1 2 397.389 2.101 20 0 GEADLO O[C@@H]1C[C@H](c2ccc(F)c(F)c2)[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826506156 608852235 /nfs/dbraw/zinc/85/22/35/608852235.db2.gz NSTMKSRDEAHCRQ-RHSMWYFYSA-N 1 2 397.389 2.101 20 0 GEADLO CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000824236887 609254332 /nfs/dbraw/zinc/25/43/32/609254332.db2.gz PONHNNSDXATRLA-SMDDNHRTSA-N 1 2 394.443 2.473 20 0 GEADLO C[C@@H](O)[C@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000824689376 609568935 /nfs/dbraw/zinc/56/89/35/609568935.db2.gz LJRAMAXMRBBYKD-ZJUUUORDSA-N 1 2 376.367 2.223 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000447140273 649999404 /nfs/dbraw/zinc/99/94/04/649999404.db2.gz SLPJRFDTGRTSCG-NSHDSACASA-N 1 2 391.269 2.098 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000447140273 649999405 /nfs/dbraw/zinc/99/94/05/649999405.db2.gz SLPJRFDTGRTSCG-NSHDSACASA-N 1 2 391.269 2.098 20 0 GEADLO FC(F)(F)COCCn1nnnc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000447351501 650006070 /nfs/dbraw/zinc/00/60/70/650006070.db2.gz ZAFFZMJLHYMBQW-LLVKDONJSA-N 1 2 376.408 2.088 20 0 GEADLO FC(F)(F)COCCn1nnnc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000447351501 650006072 /nfs/dbraw/zinc/00/60/72/650006072.db2.gz ZAFFZMJLHYMBQW-LLVKDONJSA-N 1 2 376.408 2.088 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNC(=O)N=c2nc(-c3ccsc3)[nH]s2)C[C@H](C)O1 ZINC000447999402 650012510 /nfs/dbraw/zinc/01/25/10/650012510.db2.gz MGVSAGCKUZQBGS-TXEJJXNPSA-N 1 2 381.527 2.309 20 0 GEADLO C[C@@H]1C[N@H+](CCCNC(=O)N=c2nc(-c3ccsc3)[nH]s2)C[C@H](C)O1 ZINC000447999402 650012512 /nfs/dbraw/zinc/01/25/12/650012512.db2.gz MGVSAGCKUZQBGS-TXEJJXNPSA-N 1 2 381.527 2.309 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448707313 650019906 /nfs/dbraw/zinc/01/99/06/650019906.db2.gz JSIPHNWLAQZHPZ-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO COc1cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)cc(Br)c1OC(F)F ZINC000449569430 650042897 /nfs/dbraw/zinc/04/28/97/650042897.db2.gz BVHNXGSBVMFLOW-ZYHUDNBSSA-N 1 2 382.201 2.251 20 0 GEADLO COc1cc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)cc(Br)c1OC(F)F ZINC000449569430 650042900 /nfs/dbraw/zinc/04/29/00/650042900.db2.gz BVHNXGSBVMFLOW-ZYHUDNBSSA-N 1 2 382.201 2.251 20 0 GEADLO CC[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@@H+]1CCOC ZINC000449885908 650055056 /nfs/dbraw/zinc/05/50/56/650055056.db2.gz VDKVWLCKKJRIQG-NSHDSACASA-N 1 2 389.265 2.477 20 0 GEADLO CC[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@H+]1CCOC ZINC000449885908 650055059 /nfs/dbraw/zinc/05/50/59/650055059.db2.gz VDKVWLCKKJRIQG-NSHDSACASA-N 1 2 389.265 2.477 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccsc2Br)CC1 ZINC000450022633 650058408 /nfs/dbraw/zinc/05/84/08/650058408.db2.gz YSAYIFMBMPPMGT-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO Cn1cc(I)c(CNc2cc(N3CCCCC3)nc[nH+]2)n1 ZINC000450842190 650072109 /nfs/dbraw/zinc/07/21/09/650072109.db2.gz FKCXVTGGZJVXTF-UHFFFAOYSA-N 1 2 398.252 2.417 20 0 GEADLO Cn1cc(I)c(CNc2cc(N3CCCCC3)[nH+]cn2)n1 ZINC000450842190 650072113 /nfs/dbraw/zinc/07/21/13/650072113.db2.gz FKCXVTGGZJVXTF-UHFFFAOYSA-N 1 2 398.252 2.417 20 0 GEADLO COc1ccccc1[C@H](CNS(=O)(=O)CCc1scnc1C)[NH+](C)C ZINC000450990083 650078365 /nfs/dbraw/zinc/07/83/65/650078365.db2.gz SGCXFPJDNRKUAY-HNNXBMFYSA-N 1 2 383.539 2.225 20 0 GEADLO O=C1N=NC([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)O1 ZINC000450899823 650074902 /nfs/dbraw/zinc/07/49/02/650074902.db2.gz DVDONOQZDSOVCU-DGCLKSJQSA-N 1 2 398.257 2.157 20 0 GEADLO O=C1N=NC([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)O1 ZINC000450899823 650074903 /nfs/dbraw/zinc/07/49/03/650074903.db2.gz DVDONOQZDSOVCU-DGCLKSJQSA-N 1 2 398.257 2.157 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)o1 ZINC000450899823 650074907 /nfs/dbraw/zinc/07/49/07/650074907.db2.gz DVDONOQZDSOVCU-DGCLKSJQSA-N 1 2 398.257 2.157 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCc3c(F)ccc(Br)c3C2)C1 ZINC000451114063 650088139 /nfs/dbraw/zinc/08/81/39/650088139.db2.gz CUZNYKWZMHRRIH-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCc3c(F)ccc(Br)c3C2)C1 ZINC000451114063 650088141 /nfs/dbraw/zinc/08/81/41/650088141.db2.gz CUZNYKWZMHRRIH-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO CCOC(=O)[C@H]1C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)CC12COC2 ZINC000451137180 650089623 /nfs/dbraw/zinc/08/96/23/650089623.db2.gz ONIUQCGTNNJAKV-GFCCVEGCSA-N 1 2 394.269 2.337 20 0 GEADLO CCOC(=O)[C@H]1C[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)CC12COC2 ZINC000451137180 650089625 /nfs/dbraw/zinc/08/96/25/650089625.db2.gz ONIUQCGTNNJAKV-GFCCVEGCSA-N 1 2 394.269 2.337 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)CC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000451457955 650116260 /nfs/dbraw/zinc/11/62/60/650116260.db2.gz MLZSDESLPCJSIP-CXAGYDPISA-N 1 2 387.318 2.144 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)CC[N@H+]2CCO[C@H](C)C2)c1 ZINC000451457955 650116264 /nfs/dbraw/zinc/11/62/64/650116264.db2.gz MLZSDESLPCJSIP-CXAGYDPISA-N 1 2 387.318 2.144 20 0 GEADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451568067 650126083 /nfs/dbraw/zinc/12/60/83/650126083.db2.gz MFSPHCYUVONNDU-OAHLLOKOSA-N 1 2 396.329 2.223 20 0 GEADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451568067 650126086 /nfs/dbraw/zinc/12/60/86/650126086.db2.gz MFSPHCYUVONNDU-OAHLLOKOSA-N 1 2 396.329 2.223 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451887191 650150161 /nfs/dbraw/zinc/15/01/61/650150161.db2.gz FQQMLOLNVRVODG-BETUJISGSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451887191 650150163 /nfs/dbraw/zinc/15/01/63/650150163.db2.gz FQQMLOLNVRVODG-BETUJISGSA-N 1 2 380.432 2.089 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@H](C)[N@H+]1CCO ZINC000451890579 650150415 /nfs/dbraw/zinc/15/04/15/650150415.db2.gz NBNUMTWANBGFHE-TXEJJXNPSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@H](C)[N@@H+]1CCO ZINC000451890579 650150419 /nfs/dbraw/zinc/15/04/19/650150419.db2.gz NBNUMTWANBGFHE-TXEJJXNPSA-N 1 2 381.325 2.210 20 0 GEADLO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000453715599 650219324 /nfs/dbraw/zinc/21/93/24/650219324.db2.gz LNWBQPUDALESRQ-LLVKDONJSA-N 1 2 397.660 2.369 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000454260210 650260685 /nfs/dbraw/zinc/26/06/85/650260685.db2.gz GKWTXQMORQTPHY-GFCCVEGCSA-N 1 2 376.284 2.392 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000454267863 650261078 /nfs/dbraw/zinc/26/10/78/650261078.db2.gz OTCYJGLYTLOHTF-SFAKSCPVSA-N 1 2 382.302 2.482 20 0 GEADLO Cn1cc(Br)c(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000454326299 650262888 /nfs/dbraw/zinc/26/28/88/650262888.db2.gz FYMUJDKIVAJURT-UHFFFAOYSA-N 1 2 393.289 2.046 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000454430745 650266482 /nfs/dbraw/zinc/26/64/82/650266482.db2.gz IPTCACVLRNGGSB-GDBMZVCRSA-N 1 2 382.302 2.279 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000454430745 650266483 /nfs/dbraw/zinc/26/64/83/650266483.db2.gz IPTCACVLRNGGSB-GDBMZVCRSA-N 1 2 382.302 2.279 20 0 GEADLO O=C(c1ccc(I)cn1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000455226800 650296483 /nfs/dbraw/zinc/29/64/83/650296483.db2.gz HKQOYVQRYPFZOJ-UHFFFAOYSA-N 1 2 382.205 2.429 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)CCO1 ZINC000455704921 650313558 /nfs/dbraw/zinc/31/35/58/650313558.db2.gz OCYWCXJJWIQLHB-NEPJUHHUSA-N 1 2 380.436 2.465 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)CCO1 ZINC000455704921 650313561 /nfs/dbraw/zinc/31/35/61/650313561.db2.gz OCYWCXJJWIQLHB-NEPJUHHUSA-N 1 2 380.436 2.465 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1(c2cccc(Br)c2)CC1 ZINC000456201968 650333732 /nfs/dbraw/zinc/33/37/32/650333732.db2.gz CNHLTWPXFUUTBU-IYBDPMFKSA-N 1 2 379.298 2.460 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1(c2cccc(Br)c2)CC1 ZINC000456201968 650333737 /nfs/dbraw/zinc/33/37/37/650333737.db2.gz CNHLTWPXFUUTBU-IYBDPMFKSA-N 1 2 379.298 2.460 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1(c2ccc(Br)cc2)CC1 ZINC000456220151 650334514 /nfs/dbraw/zinc/33/45/14/650334514.db2.gz VXTVHQLACSWEOE-IYBDPMFKSA-N 1 2 379.298 2.460 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1(c2ccc(Br)cc2)CC1 ZINC000456220151 650334515 /nfs/dbraw/zinc/33/45/15/650334515.db2.gz VXTVHQLACSWEOE-IYBDPMFKSA-N 1 2 379.298 2.460 20 0 GEADLO Cc1ccc(C[C@@H](CO)CNC(=O)CCn2cc[nH+]c2)cc1Br ZINC000456475986 650341756 /nfs/dbraw/zinc/34/17/56/650341756.db2.gz BYZOEEHJJVSCBS-OAHLLOKOSA-N 1 2 380.286 2.312 20 0 GEADLO Cc1ccc(C[C@@H](CO)CNC(=O)CCc2c[nH+]cn2C)cc1Br ZINC000456482932 650342782 /nfs/dbraw/zinc/34/27/82/650342782.db2.gz GBUXIPKWDJMFNM-OAHLLOKOSA-N 1 2 394.313 2.391 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456714258 650357436 /nfs/dbraw/zinc/35/74/36/650357436.db2.gz JJTGORRKQZUVHW-CYBMUJFWSA-N 1 2 398.276 2.222 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H](O)[C@@H](C)C3)[nH+]c12 ZINC000501915427 650399175 /nfs/dbraw/zinc/39/91/75/650399175.db2.gz OEQIAKNWJZOAPI-WFASDCNBSA-N 1 2 395.301 2.360 20 0 GEADLO CS(=O)(=O)c1csc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000502254434 650403993 /nfs/dbraw/zinc/40/39/93/650403993.db2.gz ORUBOKLMDPYFRK-UHFFFAOYSA-N 1 2 375.475 2.326 20 0 GEADLO C[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)Oc1cccc(Br)c1 ZINC000458494977 650404421 /nfs/dbraw/zinc/40/44/21/650404421.db2.gz XHTPNHIKHNRXTM-GFCCVEGCSA-N 1 2 381.274 2.492 20 0 GEADLO C[N@H+](CC1(CS(C)(=O)=O)CC1)[C@@H](CO)c1cccc(Br)c1 ZINC000502761883 650411307 /nfs/dbraw/zinc/41/13/07/650411307.db2.gz CWRJDBMGXRIWOT-AWEZNQCLSA-N 1 2 376.316 2.239 20 0 GEADLO C[N@@H+](CC1(CS(C)(=O)=O)CC1)[C@@H](CO)c1cccc(Br)c1 ZINC000502761883 650411311 /nfs/dbraw/zinc/41/13/11/650411311.db2.gz CWRJDBMGXRIWOT-AWEZNQCLSA-N 1 2 376.316 2.239 20 0 GEADLO CCOC(=O)[C@](C)(O)C[N@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000502789036 650411968 /nfs/dbraw/zinc/41/19/68/650411968.db2.gz JDGRUVHVSPRWJX-QGZVFWFLSA-N 1 2 391.295 2.246 20 0 GEADLO CCOC(=O)[C@](C)(O)C[N@@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000502789036 650411971 /nfs/dbraw/zinc/41/19/71/650411971.db2.gz JDGRUVHVSPRWJX-QGZVFWFLSA-N 1 2 391.295 2.246 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCc1cccc(Br)c1 ZINC000459148116 650419674 /nfs/dbraw/zinc/41/96/74/650419674.db2.gz KNWRISSMNKHGAN-YOEHRIQHSA-N 1 2 396.329 2.496 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000503703213 650421719 /nfs/dbraw/zinc/42/17/19/650421719.db2.gz KGFLDLYVTQSCPU-NXEZZACHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000503703213 650421720 /nfs/dbraw/zinc/42/17/20/650421720.db2.gz KGFLDLYVTQSCPU-NXEZZACHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1ccc(C[N@H+](CCn2cc(Cl)cn2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000459296741 650422097 /nfs/dbraw/zinc/42/20/97/650422097.db2.gz ROQCZLCVVQRZHQ-INIZCTEOSA-N 1 2 383.901 2.234 20 0 GEADLO COc1ccc(C[N@@H+](CCn2cc(Cl)cn2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000459296741 650422099 /nfs/dbraw/zinc/42/20/99/650422099.db2.gz ROQCZLCVVQRZHQ-INIZCTEOSA-N 1 2 383.901 2.234 20 0 GEADLO Cn1ccc(N2CCC[C@H]([NH2+]Cc3cccc(O)c3Br)C2=O)n1 ZINC000459433026 650424241 /nfs/dbraw/zinc/42/42/41/650424241.db2.gz ZVSVYKXQTNKJLC-LBPRGKRZSA-N 1 2 379.258 2.173 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(Br)cc3[nH]cnc32)CCO1 ZINC000505109734 650435089 /nfs/dbraw/zinc/43/50/89/650435089.db2.gz VXGCRUWZUHYIFN-LBPRGKRZSA-N 1 2 381.274 2.166 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc3[nH]cnc32)CCO1 ZINC000505109734 650435090 /nfs/dbraw/zinc/43/50/90/650435090.db2.gz VXGCRUWZUHYIFN-LBPRGKRZSA-N 1 2 381.274 2.166 20 0 GEADLO COc1cc(C[N@@H+]2CCC[C@](O)(CO)C2)cc(Br)c1OC(F)F ZINC000459733965 650431495 /nfs/dbraw/zinc/43/14/95/650431495.db2.gz VEBXVTJCJFTHDP-OAHLLOKOSA-N 1 2 396.228 2.378 20 0 GEADLO COc1cc(C[N@H+]2CCC[C@](O)(CO)C2)cc(Br)c1OC(F)F ZINC000459733965 650431497 /nfs/dbraw/zinc/43/14/97/650431497.db2.gz VEBXVTJCJFTHDP-OAHLLOKOSA-N 1 2 396.228 2.378 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)C(=O)c3cccn3C)[nH+]c12 ZINC000504878989 650433449 /nfs/dbraw/zinc/43/34/49/650433449.db2.gz KVCSTSWXLVVFJO-UHFFFAOYSA-N 1 2 389.253 2.285 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)CCO1 ZINC000505106700 650434829 /nfs/dbraw/zinc/43/48/29/650434829.db2.gz CSDPLEQYRSMEEU-LLVKDONJSA-N 1 2 391.256 2.497 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)CCO1 ZINC000505106700 650434833 /nfs/dbraw/zinc/43/48/33/650434833.db2.gz CSDPLEQYRSMEEU-LLVKDONJSA-N 1 2 391.256 2.497 20 0 GEADLO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000459933002 650435734 /nfs/dbraw/zinc/43/57/34/650435734.db2.gz CCHKJSNTPIFRDV-UHFFFAOYSA-N 1 2 395.257 2.130 20 0 GEADLO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000459944672 650436279 /nfs/dbraw/zinc/43/62/79/650436279.db2.gz WTVAEGVCDYOOTQ-UHFFFAOYSA-N 1 2 395.257 2.130 20 0 GEADLO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000459944672 650436280 /nfs/dbraw/zinc/43/62/80/650436280.db2.gz WTVAEGVCDYOOTQ-UHFFFAOYSA-N 1 2 395.257 2.130 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H](CO)C3CC3)[nH+]c12 ZINC000460887809 650447166 /nfs/dbraw/zinc/44/71/66/650447166.db2.gz UGKSFEMELLAZIB-ZDUSSCGKSA-N 1 2 395.301 2.265 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(I)cc1 ZINC000507966434 650470899 /nfs/dbraw/zinc/47/08/99/650470899.db2.gz MUQAHQVRXVZHOT-GHMZBOCLSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(I)cc1 ZINC000507966434 650470901 /nfs/dbraw/zinc/47/09/01/650470901.db2.gz MUQAHQVRXVZHOT-GHMZBOCLSA-N 1 2 394.278 2.004 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000507986349 650472193 /nfs/dbraw/zinc/47/21/93/650472193.db2.gz SMKVNQNWXDOIMG-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000507986349 650472198 /nfs/dbraw/zinc/47/21/98/650472198.db2.gz SMKVNQNWXDOIMG-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COC(=O)C[C@](C)([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccccn1 ZINC000509138725 650487883 /nfs/dbraw/zinc/48/78/83/650487883.db2.gz MNLFWQXNHPUOCA-KRWDZBQOSA-N 1 2 381.885 2.481 20 0 GEADLO COc1cc(C[N@H+](CCS(=O)(=O)N(C)C)C2CC2)ccc1OC(F)F ZINC000509258991 650491907 /nfs/dbraw/zinc/49/19/07/650491907.db2.gz CDCTXUZDOMDCEC-UHFFFAOYSA-N 1 2 378.441 2.152 20 0 GEADLO COc1cc(C[N@@H+](CCS(=O)(=O)N(C)C)C2CC2)ccc1OC(F)F ZINC000509258991 650491908 /nfs/dbraw/zinc/49/19/08/650491908.db2.gz CDCTXUZDOMDCEC-UHFFFAOYSA-N 1 2 378.441 2.152 20 0 GEADLO COc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1Br ZINC000464317481 650495349 /nfs/dbraw/zinc/49/53/49/650495349.db2.gz JPJKTPMQZGIMTL-AWEZNQCLSA-N 1 2 383.286 2.395 20 0 GEADLO CNc1[nH+]cnc2c1cnn2Cc1cc(Br)ccc1C(=O)OC ZINC000509820700 650501096 /nfs/dbraw/zinc/50/10/96/650501096.db2.gz MXSPLGCRUPUCLK-UHFFFAOYSA-N 1 2 376.214 2.465 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H](O)C[C@@H]3C)[nH+]c12 ZINC000472054146 650518880 /nfs/dbraw/zinc/51/88/80/650518880.db2.gz SNALMZKNTVJDLW-SMDDNHRTSA-N 1 2 381.274 2.112 20 0 GEADLO Nc1ccnc(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000510946448 650521574 /nfs/dbraw/zinc/52/15/74/650521574.db2.gz BNGYONRYJLHIFJ-UHFFFAOYSA-N 1 2 377.246 2.313 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)[C@@H](C)C1 ZINC000511241776 650530325 /nfs/dbraw/zinc/53/03/25/650530325.db2.gz LEPIBOSEGFNABI-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)[C@@H](C)C1 ZINC000511241776 650530329 /nfs/dbraw/zinc/53/03/29/650530329.db2.gz LEPIBOSEGFNABI-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000512650671 650552272 /nfs/dbraw/zinc/55/22/72/650552272.db2.gz FGNUVQJWJURXJN-CZUORRHYSA-N 1 2 385.302 2.299 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000512650671 650552275 /nfs/dbraw/zinc/55/22/75/650552275.db2.gz FGNUVQJWJURXJN-CZUORRHYSA-N 1 2 385.302 2.299 20 0 GEADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000513424721 650562967 /nfs/dbraw/zinc/56/29/67/650562967.db2.gz JALLXTSPOISHMJ-CQSZACIVSA-N 1 2 386.323 2.358 20 0 GEADLO O=C(CCn1cc[nH+]c1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000477150368 650569937 /nfs/dbraw/zinc/56/99/37/650569937.db2.gz KUOYHPGUZHFDKZ-UHFFFAOYSA-N 1 2 376.214 2.402 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000514996560 650584416 /nfs/dbraw/zinc/58/44/16/650584416.db2.gz BGNKDTFVAXRQJE-WQVCFCJDSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000514996560 650584417 /nfs/dbraw/zinc/58/44/17/650584417.db2.gz BGNKDTFVAXRQJE-WQVCFCJDSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000514996559 650584467 /nfs/dbraw/zinc/58/44/67/650584467.db2.gz BGNKDTFVAXRQJE-VBNZEHGJSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000514996559 650584469 /nfs/dbraw/zinc/58/44/69/650584469.db2.gz BGNKDTFVAXRQJE-VBNZEHGJSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCc2cc(Br)ccc2C1 ZINC000478587122 650588405 /nfs/dbraw/zinc/58/84/05/650588405.db2.gz DFYNBEKOJGNQFP-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCc2cc(Br)ccc2C1 ZINC000478587122 650588407 /nfs/dbraw/zinc/58/84/07/650588407.db2.gz DFYNBEKOJGNQFP-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cc(F)c(Br)cc1F)[NH+]1CCCC1 ZINC000519743216 650612384 /nfs/dbraw/zinc/61/23/84/650612384.db2.gz SVEWMGGTLYFLFG-SECBINFHSA-N 1 2 383.258 2.490 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000520613795 650615440 /nfs/dbraw/zinc/61/54/40/650615440.db2.gz GEXRYOXJWHALEI-BLLLJJGKSA-N 1 2 382.302 2.456 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000520613795 650615443 /nfs/dbraw/zinc/61/54/43/650615443.db2.gz GEXRYOXJWHALEI-BLLLJJGKSA-N 1 2 382.302 2.456 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000480777310 650631996 /nfs/dbraw/zinc/63/19/96/650631996.db2.gz HKCMXURSXQNDKA-UHFFFAOYSA-N 1 2 380.491 2.228 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000480777310 650631997 /nfs/dbraw/zinc/63/19/97/650631997.db2.gz HKCMXURSXQNDKA-UHFFFAOYSA-N 1 2 380.491 2.228 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000523059303 650631172 /nfs/dbraw/zinc/63/11/72/650631172.db2.gz XVUGWIBAWKAURY-GFCCVEGCSA-N 1 2 381.270 2.062 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000523059303 650631174 /nfs/dbraw/zinc/63/11/74/650631174.db2.gz XVUGWIBAWKAURY-GFCCVEGCSA-N 1 2 381.270 2.062 20 0 GEADLO CC[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000524594427 650643533 /nfs/dbraw/zinc/64/35/33/650643533.db2.gz LQMNYXKKLDSOGZ-YPMHNXCESA-N 1 2 391.693 2.053 20 0 GEADLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000524594427 650643536 /nfs/dbraw/zinc/64/35/36/650643536.db2.gz LQMNYXKKLDSOGZ-YPMHNXCESA-N 1 2 391.693 2.053 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000481490928 650647694 /nfs/dbraw/zinc/64/76/94/650647694.db2.gz HSYDCTPBTTZLLP-INWMFGNUSA-N 1 2 386.286 2.462 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000481490928 650647696 /nfs/dbraw/zinc/64/76/96/650647696.db2.gz HSYDCTPBTTZLLP-INWMFGNUSA-N 1 2 386.286 2.462 20 0 GEADLO O=C(CCc1cc(Cl)cc(Cl)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000482096321 650659526 /nfs/dbraw/zinc/65/95/26/650659526.db2.gz HSNHUNBSAGFIQN-UHFFFAOYSA-N 1 2 382.295 2.362 20 0 GEADLO O=C(CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)Nc1cc(Cl)ccc1Cl ZINC000525989177 650662641 /nfs/dbraw/zinc/66/26/41/650662641.db2.gz UMUVIMLACMBYRT-LLVKDONJSA-N 1 2 382.251 2.443 20 0 GEADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000483291054 650676186 /nfs/dbraw/zinc/67/61/86/650676186.db2.gz JEZUELJZZOQDQB-RNCFNFMXSA-N 1 2 393.228 2.138 20 0 GEADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000483291054 650676191 /nfs/dbraw/zinc/67/61/91/650676191.db2.gz JEZUELJZZOQDQB-RNCFNFMXSA-N 1 2 393.228 2.138 20 0 GEADLO O=C([C@H]1SCCc2sccc21)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000483365151 650677375 /nfs/dbraw/zinc/67/73/75/650677375.db2.gz NABQPNZWEFPWHU-YOEHRIQHSA-N 1 2 382.551 2.028 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000483457444 650678961 /nfs/dbraw/zinc/67/89/61/650678961.db2.gz VKQCELKARDFHSG-SECBINFHSA-N 1 2 385.649 2.442 20 0 GEADLO Cc1ccc(F)c(NC(=O)C(=O)NCCNc2cccc[nH+]2)c1Br ZINC000483504623 650679455 /nfs/dbraw/zinc/67/94/55/650679455.db2.gz DDXZECKYWPHQRH-UHFFFAOYSA-N 1 2 395.232 2.458 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H]2CNc2cnn(C)c(=O)c2Br)cc1 ZINC000528141022 650686110 /nfs/dbraw/zinc/68/61/10/650686110.db2.gz SQDYGZKXGATGFI-ZDUSSCGKSA-N 1 2 393.285 2.238 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H]2CNc2cnn(C)c(=O)c2Br)cc1 ZINC000528141022 650686113 /nfs/dbraw/zinc/68/61/13/650686113.db2.gz SQDYGZKXGATGFI-ZDUSSCGKSA-N 1 2 393.285 2.238 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000528362971 650691143 /nfs/dbraw/zinc/69/11/43/650691143.db2.gz ISLRVTAKRFDRNV-UHFFFAOYSA-N 1 2 377.344 2.036 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000528395451 650692236 /nfs/dbraw/zinc/69/22/36/650692236.db2.gz LHTDTFBRNVPELA-UHFFFAOYSA-N 1 2 376.245 2.109 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1COc2ccc(Cl)cc21 ZINC000485777556 650700215 /nfs/dbraw/zinc/70/02/15/650700215.db2.gz ZIFIYUXAIMXUSE-QAPCUYQASA-N 1 2 382.913 2.140 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000529751973 650706387 /nfs/dbraw/zinc/70/63/87/650706387.db2.gz KJPVLSFOKFBJTM-VFVRVIDISA-N 1 2 384.929 2.237 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000529751973 650706391 /nfs/dbraw/zinc/70/63/91/650706391.db2.gz KJPVLSFOKFBJTM-VFVRVIDISA-N 1 2 384.929 2.237 20 0 GEADLO COC[C@H](C)S(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486580784 650716335 /nfs/dbraw/zinc/71/63/35/650716335.db2.gz XXMRSCLHAQWGSA-AFAVFJNCSA-N 1 2 376.469 2.443 20 0 GEADLO COC[C@H](C)S(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486580784 650716337 /nfs/dbraw/zinc/71/63/37/650716337.db2.gz XXMRSCLHAQWGSA-AFAVFJNCSA-N 1 2 376.469 2.443 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000531212727 650736352 /nfs/dbraw/zinc/73/63/52/650736352.db2.gz ULWQNMHUABIODF-CVEARBPZSA-N 1 2 383.583 2.453 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2sccc2C1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000531212727 650736353 /nfs/dbraw/zinc/73/63/53/650736353.db2.gz ULWQNMHUABIODF-CVEARBPZSA-N 1 2 383.583 2.453 20 0 GEADLO O=C(Cc1ccc(I)cc1)NCCNc1cccc[nH+]1 ZINC000488382036 650745198 /nfs/dbraw/zinc/74/51/98/650745198.db2.gz BLEOXVVNBUFIEP-UHFFFAOYSA-N 1 2 381.217 2.457 20 0 GEADLO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)NC(=O)NCC(F)(F)F ZINC000015521332 642381706 /nfs/dbraw/zinc/38/17/06/642381706.db2.gz YAKAFPXPBSWPOV-NSHDSACASA-N 1 2 379.404 2.117 20 0 GEADLO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)NC(=O)NCC(F)(F)F ZINC000015521332 642381714 /nfs/dbraw/zinc/38/17/14/642381714.db2.gz YAKAFPXPBSWPOV-NSHDSACASA-N 1 2 379.404 2.117 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC000488523303 650747103 /nfs/dbraw/zinc/74/71/03/650747103.db2.gz MCYMLCZOHIBMMH-HNNXBMFYSA-N 1 2 375.560 2.139 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cnc(C(C)C)s2)C1 ZINC000488523303 650747105 /nfs/dbraw/zinc/74/71/05/650747105.db2.gz MCYMLCZOHIBMMH-HNNXBMFYSA-N 1 2 375.560 2.139 20 0 GEADLO Cc1cc(N)nc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)[nH+]1 ZINC000022090279 642403051 /nfs/dbraw/zinc/40/30/51/642403051.db2.gz VWWBQOUNAUYRSA-UHFFFAOYSA-N 1 2 375.845 2.332 20 0 GEADLO NC(=O)CC[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000027547737 642442292 /nfs/dbraw/zinc/44/22/92/642442292.db2.gz GYDPNECDVFANLZ-UHFFFAOYSA-N 1 2 380.897 2.491 20 0 GEADLO NC(=O)CC[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000027547737 642442297 /nfs/dbraw/zinc/44/22/97/642442297.db2.gz GYDPNECDVFANLZ-UHFFFAOYSA-N 1 2 380.897 2.491 20 0 GEADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(CCO)Cc1cccc(Br)c1 ZINC000489109710 650754293 /nfs/dbraw/zinc/75/42/93/650754293.db2.gz ITGIHIJASFJVAV-CQSZACIVSA-N 1 2 378.270 2.229 20 0 GEADLO Cc1nnc(NC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)s1 ZINC000028965223 642455738 /nfs/dbraw/zinc/45/57/38/642455738.db2.gz XKPKRDRRBPJVKG-UHFFFAOYSA-N 1 2 375.435 2.295 20 0 GEADLO CS(=O)(=O)c1ccccc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000029369596 642462501 /nfs/dbraw/zinc/46/25/01/642462501.db2.gz CGGFFFFALKQRMM-UHFFFAOYSA-N 1 2 382.551 2.182 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029395328 642463355 /nfs/dbraw/zinc/46/33/55/642463355.db2.gz GOKXGBCWMIBAGN-UHFFFAOYSA-N 1 2 381.479 2.008 20 0 GEADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCC(=O)NC(N)=O ZINC000533042894 650756110 /nfs/dbraw/zinc/75/61/10/650756110.db2.gz JAXOQTMXKSCDNM-ZDUSSCGKSA-N 1 2 376.240 2.114 20 0 GEADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCC(=O)NC(N)=O ZINC000533042894 650756116 /nfs/dbraw/zinc/75/61/16/650756116.db2.gz JAXOQTMXKSCDNM-ZDUSSCGKSA-N 1 2 376.240 2.114 20 0 GEADLO O=C(NCC[NH+]1CCC1)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000533110970 650757701 /nfs/dbraw/zinc/75/77/01/650757701.db2.gz OWMZSGIUZVKBEJ-UHFFFAOYSA-N 1 2 385.555 2.185 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc2c(c(Cl)c1)OCO2 ZINC000031940324 642493393 /nfs/dbraw/zinc/49/33/93/642493393.db2.gz NCOFZFBYFGOWKG-QGZVFWFLSA-N 1 2 384.885 2.006 20 0 GEADLO S=C(NCCSc1ccccc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000041746058 642531477 /nfs/dbraw/zinc/53/14/77/642531477.db2.gz XDGHRFKWHDPYDB-GOSISDBHSA-N 1 2 397.635 2.451 20 0 GEADLO CC[N@H+](CCN1CCCS1(=O)=O)Cc1cc(Br)ccc1F ZINC000533326288 650759905 /nfs/dbraw/zinc/75/99/05/650759905.db2.gz GOUPRUYRZPVBBY-UHFFFAOYSA-N 1 2 379.295 2.446 20 0 GEADLO CC[N@@H+](CCN1CCCS1(=O)=O)Cc1cc(Br)ccc1F ZINC000533326288 650759910 /nfs/dbraw/zinc/75/99/10/650759910.db2.gz GOUPRUYRZPVBBY-UHFFFAOYSA-N 1 2 379.295 2.446 20 0 GEADLO CCCCc1nnc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000043382678 642559481 /nfs/dbraw/zinc/55/94/81/642559481.db2.gz DMCUVLVJRILRIF-INIZCTEOSA-N 1 2 385.559 2.210 20 0 GEADLO C[NH+](C)[C@@H](CN1C(=O)c2cc(Br)ccc2S1(=O)=O)c1ccco1 ZINC000044644615 642580559 /nfs/dbraw/zinc/58/05/59/642580559.db2.gz GJLDCIZKDZAHEK-LBPRGKRZSA-N 1 2 399.266 2.490 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000045159022 642590194 /nfs/dbraw/zinc/59/01/94/642590194.db2.gz JWMMHHNBWOYBQY-ZDUSSCGKSA-N 1 2 391.269 2.205 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)s1 ZINC000045809910 642598226 /nfs/dbraw/zinc/59/82/26/642598226.db2.gz GZTZGPGGYRRRDZ-CQSZACIVSA-N 1 2 387.552 2.027 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000046946097 642619978 /nfs/dbraw/zinc/61/99/78/642619978.db2.gz IRCRRGFGLQKOFJ-HUUCEWRRSA-N 1 2 390.596 2.168 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1)Nc1ccc(Cl)cn1 ZINC000047263426 642625595 /nfs/dbraw/zinc/62/55/95/642625595.db2.gz LGQDSKGLAUENMT-LLVKDONJSA-N 1 2 379.873 2.481 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1)Nc1ccc(Cl)cn1 ZINC000047263426 642625597 /nfs/dbraw/zinc/62/55/97/642625597.db2.gz LGQDSKGLAUENMT-LLVKDONJSA-N 1 2 379.873 2.481 20 0 GEADLO C[C@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000047302676 642627877 /nfs/dbraw/zinc/62/78/77/642627877.db2.gz QHHFQBRWSWQNDP-IUODEOHRSA-N 1 2 384.498 2.469 20 0 GEADLO Cc1cc(NC(=O)NCCNC(=O)c2cccc(Br)c2)c(C)c[nH+]1 ZINC000534325682 650772507 /nfs/dbraw/zinc/77/25/07/650772507.db2.gz WSUIYOSJPYJFEK-UHFFFAOYSA-N 1 2 391.269 2.434 20 0 GEADLO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000047980862 642643150 /nfs/dbraw/zinc/64/31/50/642643150.db2.gz GSTOFFFIRIAUCC-OAHLLOKOSA-N 1 2 384.929 2.352 20 0 GEADLO O=C(NCC1CC1)[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000047980862 642643156 /nfs/dbraw/zinc/64/31/56/642643156.db2.gz GSTOFFFIRIAUCC-OAHLLOKOSA-N 1 2 384.929 2.352 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)c(Br)c1 ZINC000049017387 642665454 /nfs/dbraw/zinc/66/54/54/642665454.db2.gz CUBZTHRPESXDEH-UHFFFAOYSA-N 1 2 377.242 2.319 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000050771318 642688150 /nfs/dbraw/zinc/68/81/50/642688150.db2.gz DMUINLMJVBPLBQ-UHFFFAOYSA-N 1 2 382.869 2.451 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000534502700 650776191 /nfs/dbraw/zinc/77/61/91/650776191.db2.gz JZXBLCUANFNXED-JTQLQIEISA-N 1 2 395.232 2.276 20 0 GEADLO O=S(=O)(CCN1CCC(C[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000051957125 642707894 /nfs/dbraw/zinc/70/78/94/642707894.db2.gz XKLWFHPUUHCYOM-UHFFFAOYSA-N 1 2 386.945 2.158 20 0 GEADLO O=C(CCOc1cccc(Cl)c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000057210591 642808895 /nfs/dbraw/zinc/80/88/95/642808895.db2.gz RAJGSHNDOFHPEG-SFHVURJKSA-N 1 2 384.929 2.433 20 0 GEADLO Cc1[nH]nc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)c1Br ZINC000057274196 642810716 /nfs/dbraw/zinc/81/07/16/642810716.db2.gz FUMWDONEQIELAC-UHFFFAOYSA-N 1 2 392.301 2.480 20 0 GEADLO O=C(CSC(F)(F)F)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000061219733 642841735 /nfs/dbraw/zinc/84/17/35/642841735.db2.gz RFRWBCGJKZZQKY-UHFFFAOYSA-N 1 2 382.429 2.189 20 0 GEADLO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(F)cn1 ZINC000536162645 650797239 /nfs/dbraw/zinc/79/72/39/650797239.db2.gz DBYAPMIFDWRPKZ-LBPRGKRZSA-N 1 2 385.486 2.154 20 0 GEADLO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(Br)c3O)C2)CC1 ZINC000536730635 650806691 /nfs/dbraw/zinc/80/66/91/650806691.db2.gz WHIZCSLTCUEBMU-CQSZACIVSA-N 1 2 396.329 2.395 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccsc2)CC1 ZINC000069150098 643021682 /nfs/dbraw/zinc/02/16/82/643021682.db2.gz CEJZSVJXPTUQDS-INIZCTEOSA-N 1 2 385.555 2.104 20 0 GEADLO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000094101358 643086918 /nfs/dbraw/zinc/08/69/18/643086918.db2.gz IOTVWAQHQORQRN-JTQLQIEISA-N 1 2 375.230 2.235 20 0 GEADLO Cc1csc(Sc2ccc(NC(=O)C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000102084444 643122242 /nfs/dbraw/zinc/12/22/42/643122242.db2.gz PDUBANNXCRVKJS-UHFFFAOYSA-N 1 2 376.507 2.315 20 0 GEADLO CCn1c(SC[C@@H](O)C[NH+]2CCOCC2)nnc1-c1cccc(Cl)c1 ZINC000102663854 643131970 /nfs/dbraw/zinc/13/19/70/643131970.db2.gz DXYHKDRDLJHYPK-HNNXBMFYSA-N 1 2 382.917 2.404 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCc1ccc(Br)s1)[NH+]1CCOCC1 ZINC000105149140 643200464 /nfs/dbraw/zinc/20/04/64/643200464.db2.gz CBNGJRVSDDAWSN-WDEREUQCSA-N 1 2 376.320 2.419 20 0 GEADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccc(Br)cc3)C2)CC1 ZINC000106578521 643234295 /nfs/dbraw/zinc/23/42/95/643234295.db2.gz AFEUDOQHCBPVLT-QGZVFWFLSA-N 1 2 395.345 2.371 20 0 GEADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000106805988 643239647 /nfs/dbraw/zinc/23/96/47/643239647.db2.gz CRBZGQMDCYLVCO-QGZVFWFLSA-N 1 2 380.330 2.230 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCCCCn1cc[nH+]c1 ZINC000108979136 643286546 /nfs/dbraw/zinc/28/65/46/643286546.db2.gz ATEASDIKMNYEQC-LLVKDONJSA-N 1 2 399.314 2.422 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000109064791 643288817 /nfs/dbraw/zinc/28/88/17/643288817.db2.gz DRAIIINKVUDLNQ-UHFFFAOYSA-N 1 2 383.836 2.185 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1cc(Br)ccc1F ZINC000497016642 650831771 /nfs/dbraw/zinc/83/17/71/650831771.db2.gz BHYYQUGLSIIUGQ-AWEZNQCLSA-N 1 2 398.232 2.144 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1cc(Br)ccc1F ZINC000497016642 650831775 /nfs/dbraw/zinc/83/17/75/650831775.db2.gz BHYYQUGLSIIUGQ-AWEZNQCLSA-N 1 2 398.232 2.144 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000111231933 643330124 /nfs/dbraw/zinc/33/01/24/643330124.db2.gz AORKUWGPYPVHHP-WFASDCNBSA-N 1 2 380.794 2.352 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000111231933 643330131 /nfs/dbraw/zinc/33/01/31/643330131.db2.gz AORKUWGPYPVHHP-WFASDCNBSA-N 1 2 380.794 2.352 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(Cl)cc1Br ZINC000113148962 643383846 /nfs/dbraw/zinc/38/38/46/643383846.db2.gz DFWSKIGBEWNQDW-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(Cl)cc1Br ZINC000113148965 643383932 /nfs/dbraw/zinc/38/39/32/643383932.db2.gz DFWSKIGBEWNQDW-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1c[nH]c2ncccc12)[N@@H+]1CCc2sccc2C1 ZINC000114736490 643425057 /nfs/dbraw/zinc/42/50/57/643425057.db2.gz AODNNQAVFFYULO-LBPRGKRZSA-N 1 2 376.507 2.350 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1c[nH]c2ncccc12)[N@H+]1CCc2sccc2C1 ZINC000114736490 643425061 /nfs/dbraw/zinc/42/50/61/643425061.db2.gz AODNNQAVFFYULO-LBPRGKRZSA-N 1 2 376.507 2.350 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 ZINC000497702122 650838913 /nfs/dbraw/zinc/83/89/13/650838913.db2.gz UYADWNJNVAZEPI-UHFFFAOYSA-N 1 2 392.656 2.344 20 0 GEADLO Cc1csc(C(C)(C)NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000116536151 643465199 /nfs/dbraw/zinc/46/51/99/643465199.db2.gz LDHNIEXIKIMIQN-QGZVFWFLSA-N 1 2 384.571 2.194 20 0 GEADLO O=S(=O)(N1CCCC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000497933291 650842005 /nfs/dbraw/zinc/84/20/05/650842005.db2.gz CBSMZJDPKABJTM-UHFFFAOYSA-N 1 2 392.352 2.494 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117404282 643490760 /nfs/dbraw/zinc/49/07/60/643490760.db2.gz SQCMSSXVVZSRKI-JTQLQIEISA-N 1 2 377.329 2.233 20 0 GEADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000119221922 643543190 /nfs/dbraw/zinc/54/31/90/643543190.db2.gz APLHRXFNIUOACU-LLVKDONJSA-N 1 2 398.248 2.448 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 ZINC000119227589 643543352 /nfs/dbraw/zinc/54/33/52/643543352.db2.gz DLLAUGNAKCRTQE-UHFFFAOYSA-N 1 2 388.295 2.421 20 0 GEADLO Cc1ccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c(Br)c1 ZINC000119646595 643563613 /nfs/dbraw/zinc/56/36/13/643563613.db2.gz DQCQSAKHBDXKLW-UHFFFAOYSA-N 1 2 380.330 2.498 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cn2nc(C3CC3)sc2=S)CC1 ZINC000120310584 643599466 /nfs/dbraw/zinc/59/94/66/643599466.db2.gz LJIPJALCCHTTHY-ZDUSSCGKSA-N 1 2 381.571 2.137 20 0 GEADLO COC(=O)c1nn(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1Br ZINC000121156779 643629059 /nfs/dbraw/zinc/62/90/59/643629059.db2.gz SYWWDRHFMKUZBG-CYBMUJFWSA-N 1 2 395.257 2.246 20 0 GEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(I)c1 ZINC000539949310 650854929 /nfs/dbraw/zinc/85/49/29/650854929.db2.gz BFTSUSFLGRTDGX-QWRGUYRKSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(I)c1 ZINC000539949310 650854930 /nfs/dbraw/zinc/85/49/30/650854930.db2.gz BFTSUSFLGRTDGX-QWRGUYRKSA-N 1 2 394.278 2.004 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000123247257 643665962 /nfs/dbraw/zinc/66/59/62/643665962.db2.gz JOBZKJRJZJSHMI-LBPRGKRZSA-N 1 2 398.472 2.376 20 0 GEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000540018738 650856614 /nfs/dbraw/zinc/85/66/14/650856614.db2.gz ZTTKQYMBRXXGEO-GHMZBOCLSA-N 1 2 378.270 2.455 20 0 GEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000540018738 650856618 /nfs/dbraw/zinc/85/66/18/650856618.db2.gz ZTTKQYMBRXXGEO-GHMZBOCLSA-N 1 2 378.270 2.455 20 0 GEADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000126377170 643730661 /nfs/dbraw/zinc/73/06/61/643730661.db2.gz CDJWVELBUCXMEY-LAJNKCICSA-N 1 2 375.332 2.106 20 0 GEADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000126377170 643730663 /nfs/dbraw/zinc/73/06/63/643730663.db2.gz CDJWVELBUCXMEY-LAJNKCICSA-N 1 2 375.332 2.106 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)COCC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000126954935 643751460 /nfs/dbraw/zinc/75/14/60/643751460.db2.gz MTTVVJBVGBKDFB-UKRRQHHQSA-N 1 2 380.794 2.407 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)COCC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000126954935 643751464 /nfs/dbraw/zinc/75/14/64/643751464.db2.gz MTTVVJBVGBKDFB-UKRRQHHQSA-N 1 2 380.794 2.407 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000127264894 643767032 /nfs/dbraw/zinc/76/70/32/643767032.db2.gz AMDVIBPVAQMXPN-UHFFFAOYSA-N 1 2 394.191 2.180 20 0 GEADLO C[C@H](CNC(=O)Cc1cccc(I)c1)Cn1cc[nH+]c1 ZINC000128035196 643790598 /nfs/dbraw/zinc/79/05/98/643790598.db2.gz LOXPLWNSUAZLKW-GFCCVEGCSA-N 1 2 383.233 2.483 20 0 GEADLO COc1cc(C[NH2+]Cc2ncc(Br)s2)ccc1OCC(N)=O ZINC000541065702 650870630 /nfs/dbraw/zinc/87/06/30/650870630.db2.gz SFWGCXAKBRBMBE-UHFFFAOYSA-N 1 2 386.271 2.068 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000499089851 650873573 /nfs/dbraw/zinc/87/35/73/650873573.db2.gz DEMUHDCNAAEROL-KGLIPLIRSA-N 1 2 387.933 2.238 20 0 GEADLO CC[N@H+]1C[C@H](C)N(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000499089851 650873574 /nfs/dbraw/zinc/87/35/74/650873574.db2.gz DEMUHDCNAAEROL-KGLIPLIRSA-N 1 2 387.933 2.238 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC000541591031 650878519 /nfs/dbraw/zinc/87/85/19/650878519.db2.gz VAADWIHNXQRFPU-HNNXBMFYSA-N 1 2 394.317 2.140 20 0 GEADLO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCCn1cc[nH+]c1 ZINC000153767574 644004971 /nfs/dbraw/zinc/00/49/71/644004971.db2.gz JTNVFAARXOWWFT-UHFFFAOYSA-N 1 2 376.210 2.490 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000156317949 644088114 /nfs/dbraw/zinc/08/81/14/644088114.db2.gz SRQGIRXBWMRZGS-LBPRGKRZSA-N 1 2 391.269 2.271 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)N[C@H](CCO)c1ccccc1Br ZINC000542892997 650893638 /nfs/dbraw/zinc/89/36/38/650893638.db2.gz HUKRTWLTONNQTD-OAHLLOKOSA-N 1 2 381.274 2.459 20 0 GEADLO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000158902075 644166100 /nfs/dbraw/zinc/16/61/00/644166100.db2.gz ODUUASPZQBJRNP-GFCCVEGCSA-N 1 2 394.324 2.121 20 0 GEADLO O=C(c1cc(Br)cc(C(F)(F)F)c1)N1CC[NH+](CCO)CC1 ZINC000163184833 644251295 /nfs/dbraw/zinc/25/12/95/644251295.db2.gz KNDFVXZCVLJJCG-UHFFFAOYSA-N 1 2 381.192 2.218 20 0 GEADLO C[C@@H](Cc1ccccc1Br)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000164490845 644265242 /nfs/dbraw/zinc/26/52/42/644265242.db2.gz LYIZFLRZVVPCIH-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000171938726 644335028 /nfs/dbraw/zinc/33/50/28/644335028.db2.gz YPUJCCMXXRHRIF-HWKANZROSA-N 1 2 376.931 2.040 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000172474973 644339738 /nfs/dbraw/zinc/33/97/38/644339738.db2.gz YECMWJYCHPBTGK-HNNXBMFYSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000172474973 644339753 /nfs/dbraw/zinc/33/97/53/644339753.db2.gz YECMWJYCHPBTGK-HNNXBMFYSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000543673189 650918699 /nfs/dbraw/zinc/91/86/99/650918699.db2.gz ACWUAKTWIJONCP-GHMZBOCLSA-N 1 2 389.315 2.097 20 0 GEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000543673189 650918702 /nfs/dbraw/zinc/91/87/02/650918702.db2.gz ACWUAKTWIJONCP-GHMZBOCLSA-N 1 2 389.315 2.097 20 0 GEADLO O=C(NCC[C@@H](O)C(F)(F)F)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000543644613 650917063 /nfs/dbraw/zinc/91/70/63/650917063.db2.gz OPTVUVVIDIYLNF-CQSZACIVSA-N 1 2 379.810 2.311 20 0 GEADLO O=C(NCC[C@@H](O)C(F)(F)F)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000543644613 650917064 /nfs/dbraw/zinc/91/70/64/650917064.db2.gz OPTVUVVIDIYLNF-CQSZACIVSA-N 1 2 379.810 2.311 20 0 GEADLO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[NH+]3CCC(C)(O)CC3)c2c1 ZINC000177186613 644410453 /nfs/dbraw/zinc/41/04/53/644410453.db2.gz ZOSZRMZQSKDIPA-UHFFFAOYSA-N 1 2 385.511 2.018 20 0 GEADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179683176 644467215 /nfs/dbraw/zinc/46/72/15/644467215.db2.gz FUQRVKQRWBEEKS-QWRGUYRKSA-N 1 2 392.315 2.474 20 0 GEADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179683176 644467218 /nfs/dbraw/zinc/46/72/18/644467218.db2.gz FUQRVKQRWBEEKS-QWRGUYRKSA-N 1 2 392.315 2.474 20 0 GEADLO Cc1cccn2cc(CC(=O)Nc3ccncc3I)[nH+]c12 ZINC000543781838 650923804 /nfs/dbraw/zinc/92/38/04/650923804.db2.gz KEUQYXXHWUKQBZ-UHFFFAOYSA-N 1 2 392.200 2.245 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCSC[C@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000544124462 650934917 /nfs/dbraw/zinc/93/49/17/650934917.db2.gz YJASQOVASFCOMR-DGCLKSJQSA-N 1 2 378.416 2.172 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCSC[C@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000544124462 650934919 /nfs/dbraw/zinc/93/49/19/650934919.db2.gz YJASQOVASFCOMR-DGCLKSJQSA-N 1 2 378.416 2.172 20 0 GEADLO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CCCCS1(=O)=O ZINC000544253270 650938112 /nfs/dbraw/zinc/93/81/12/650938112.db2.gz HBYSLYVUGJDFFA-CABCVRRESA-N 1 2 385.555 2.152 20 0 GEADLO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CCCCS1(=O)=O ZINC000544253271 650938181 /nfs/dbraw/zinc/93/81/81/650938181.db2.gz HBYSLYVUGJDFFA-GJZGRUSLSA-N 1 2 385.555 2.152 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cnn4cccnc34)[nH+]c12 ZINC000544774924 650953240 /nfs/dbraw/zinc/95/32/40/650953240.db2.gz JQFOWDLKYGUZFL-UHFFFAOYSA-N 1 2 399.252 2.420 20 0 GEADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)n1 ZINC000184270988 645014985 /nfs/dbraw/zinc/01/49/85/645014985.db2.gz KSDQIIDEGFWWFX-LBPRGKRZSA-N 1 2 382.511 2.005 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000184944334 645029145 /nfs/dbraw/zinc/02/91/45/645029145.db2.gz GXDPULDHQOANNX-OAHLLOKOSA-N 1 2 382.917 2.359 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000184944334 645029147 /nfs/dbraw/zinc/02/91/47/645029147.db2.gz GXDPULDHQOANNX-OAHLLOKOSA-N 1 2 382.917 2.359 20 0 GEADLO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)cc(F)c1O ZINC000186166896 645061835 /nfs/dbraw/zinc/06/18/35/645061835.db2.gz FDCDEYHVRUMGAR-NXEZZACHSA-N 1 2 395.294 2.226 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000545504332 650977493 /nfs/dbraw/zinc/97/74/93/650977493.db2.gz HHLUGSDPJREMMR-NHYWBVRUSA-N 1 2 395.301 2.312 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000545504332 650977497 /nfs/dbraw/zinc/97/74/97/650977497.db2.gz HHLUGSDPJREMMR-NHYWBVRUSA-N 1 2 395.301 2.312 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3c[nH]cc(C)c3=O)[nH+]c12 ZINC000545483960 650976411 /nfs/dbraw/zinc/97/64/11/650976411.db2.gz WGOOJRABVZDEDQ-UHFFFAOYSA-N 1 2 389.253 2.374 20 0 GEADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(Cl)c1Cl ZINC000188314273 645113241 /nfs/dbraw/zinc/11/32/41/645113241.db2.gz AIUFUUAEIGABFF-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(Cl)c1Cl ZINC000188314273 645113249 /nfs/dbraw/zinc/11/32/49/645113249.db2.gz AIUFUUAEIGABFF-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000188311931 645113468 /nfs/dbraw/zinc/11/34/68/645113468.db2.gz SFPWLCODLRDKHZ-LBPRGKRZSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000188311931 645113472 /nfs/dbraw/zinc/11/34/72/645113472.db2.gz SFPWLCODLRDKHZ-LBPRGKRZSA-N 1 2 380.432 2.171 20 0 GEADLO COCc1c(Br)cccc1NC(=O)C(=O)NNc1cc(C)cc[nH+]1 ZINC000190039510 645147295 /nfs/dbraw/zinc/14/72/95/645147295.db2.gz RDPZAFUDQUIVAZ-UHFFFAOYSA-N 1 2 393.241 2.381 20 0 GEADLO C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1nnnn1C1CC1 ZINC000190538953 645158795 /nfs/dbraw/zinc/15/87/95/645158795.db2.gz VJSRXOMQHUQARS-VIFPVBQESA-N 1 2 380.246 2.393 20 0 GEADLO C[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)C(=O)Nc1ccc(Br)cc1 ZINC000190855182 645166883 /nfs/dbraw/zinc/16/68/83/645166883.db2.gz PJQCUHBMBZRMQE-UWVGGRQHSA-N 1 2 379.262 2.448 20 0 GEADLO Cc1cc(NNC(=O)Cc2ccc(I)cc2)nc(C)[nH+]1 ZINC000190943557 645168154 /nfs/dbraw/zinc/16/81/54/645168154.db2.gz NDCMMDJJNZSMGE-UHFFFAOYSA-N 1 2 382.205 2.384 20 0 GEADLO CC[NH+](CC)[C@@H](CNS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1ccccc1Cl ZINC000192006168 645189941 /nfs/dbraw/zinc/18/99/41/645189941.db2.gz NCDATEXWKSUXTH-BBRMVZONSA-N 1 2 389.949 2.119 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000192638106 645216781 /nfs/dbraw/zinc/21/67/81/645216781.db2.gz CIFKFAAMJXHGPB-OAHLLOKOSA-N 1 2 390.908 2.353 20 0 GEADLO Cc1cc(NNC(=O)COc2cccc(I)c2)nc(C)[nH+]1 ZINC000192770077 645223956 /nfs/dbraw/zinc/22/39/56/645223956.db2.gz OWOAKFUUTQWQHO-UHFFFAOYSA-N 1 2 398.204 2.220 20 0 GEADLO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000193550627 645282053 /nfs/dbraw/zinc/28/20/53/645282053.db2.gz LZFDBHRZXZCWEN-AAEUAGOBSA-N 1 2 392.257 2.089 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000193576922 645286075 /nfs/dbraw/zinc/28/60/75/645286075.db2.gz ULQSTRSTESJUTH-TXEJJXNPSA-N 1 2 388.295 2.500 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000193576922 645286079 /nfs/dbraw/zinc/28/60/79/645286079.db2.gz ULQSTRSTESJUTH-TXEJJXNPSA-N 1 2 388.295 2.500 20 0 GEADLO CC(C)(C)n1nnnc1SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000193721627 645293393 /nfs/dbraw/zinc/29/33/93/645293393.db2.gz KGNAXOOYIGLWCA-UHFFFAOYSA-N 1 2 381.531 2.211 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)C(=O)Nc1cccc(Br)c1 ZINC000193719227 645293747 /nfs/dbraw/zinc/29/37/47/645293747.db2.gz ZWGWCXVMFMTBBD-UHFFFAOYSA-N 1 2 377.242 2.401 20 0 GEADLO Cc1ccc(S(=O)(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)c(Cl)n1 ZINC000193937829 645306293 /nfs/dbraw/zinc/30/62/93/645306293.db2.gz MUFGEHXDWGDGGZ-CQSZACIVSA-N 1 2 387.933 2.355 20 0 GEADLO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000194359356 645323877 /nfs/dbraw/zinc/32/38/77/645323877.db2.gz SHSAJXWUDVOJEZ-NVXWUHKLSA-N 1 2 395.297 2.076 20 0 GEADLO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000194359370 645323897 /nfs/dbraw/zinc/32/38/97/645323897.db2.gz SHSAJXWUDVOJEZ-WBVHZDCISA-N 1 2 395.297 2.076 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc(Cc2c[nH+]cn2C)no1 ZINC000546549537 651001694 /nfs/dbraw/zinc/00/16/94/651001694.db2.gz VBGVJQAWYJOPQZ-SNVBAGLBSA-N 1 2 381.845 2.087 20 0 GEADLO C[C@@]([NH2+]CC(=O)Nc1ccccc1Br)(C(N)=O)c1ccccc1 ZINC000195224411 645364235 /nfs/dbraw/zinc/36/42/35/645364235.db2.gz HKFNDIHDULQJQQ-KRWDZBQOSA-N 1 2 376.254 2.378 20 0 GEADLO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000227880421 645394238 /nfs/dbraw/zinc/39/42/38/645394238.db2.gz ZFBUMXPXFBGURQ-BLLLJJGKSA-N 1 2 382.302 2.227 20 0 GEADLO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000227880421 645394242 /nfs/dbraw/zinc/39/42/42/645394242.db2.gz ZFBUMXPXFBGURQ-BLLLJJGKSA-N 1 2 382.302 2.227 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cccc4ncnn43)[nH+]c12 ZINC000546768768 651009112 /nfs/dbraw/zinc/00/91/12/651009112.db2.gz JVICRJRGBHSZIS-UHFFFAOYSA-N 1 2 399.252 2.420 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc[nH]c3=O)[nH+]c12 ZINC000546897053 651013788 /nfs/dbraw/zinc/01/37/88/651013788.db2.gz XGOSHYYIOQIGLR-UHFFFAOYSA-N 1 2 375.226 2.478 20 0 GEADLO C[C@H]1SCCN(CCS(=O)(=O)CC[N@@H+]2CCS[C@@H](C)[C@@H]2C)[C@@H]1C ZINC000246409833 645483563 /nfs/dbraw/zinc/48/35/63/645483563.db2.gz QFAYQRHNQDXBIU-GEEKYZPCSA-N 1 2 380.645 2.053 20 0 GEADLO C[C@H]1SCCN(CCS(=O)(=O)CC[N@H+]2CCS[C@@H](C)[C@@H]2C)[C@@H]1C ZINC000246409833 645483567 /nfs/dbraw/zinc/48/35/67/645483567.db2.gz QFAYQRHNQDXBIU-GEEKYZPCSA-N 1 2 380.645 2.053 20 0 GEADLO C[C@H]1SCC[N@@H+](CCS(=O)(=O)CCN2CCS[C@@H](C)[C@@H]2C)[C@@H]1C ZINC000246409833 645483572 /nfs/dbraw/zinc/48/35/72/645483572.db2.gz QFAYQRHNQDXBIU-GEEKYZPCSA-N 1 2 380.645 2.053 20 0 GEADLO C[C@H]1SCC[N@H+](CCS(=O)(=O)CCN2CCS[C@@H](C)[C@@H]2C)[C@@H]1C ZINC000246409833 645483578 /nfs/dbraw/zinc/48/35/78/645483578.db2.gz QFAYQRHNQDXBIU-GEEKYZPCSA-N 1 2 380.645 2.053 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000248832485 645541429 /nfs/dbraw/zinc/54/14/29/645541429.db2.gz FOVXZRWQXYOMAK-KGLIPLIRSA-N 1 2 384.929 2.169 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000248832485 645541434 /nfs/dbraw/zinc/54/14/34/645541434.db2.gz FOVXZRWQXYOMAK-KGLIPLIRSA-N 1 2 384.929 2.169 20 0 GEADLO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000249721728 645558799 /nfs/dbraw/zinc/55/87/99/645558799.db2.gz MWTLIXNEUNBMRL-GDBMZVCRSA-N 1 2 394.313 2.310 20 0 GEADLO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000249721728 645558805 /nfs/dbraw/zinc/55/88/05/645558805.db2.gz MWTLIXNEUNBMRL-GDBMZVCRSA-N 1 2 394.313 2.310 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000252692587 645566972 /nfs/dbraw/zinc/56/69/72/645566972.db2.gz DDJUEXDMKCKOJS-SMDDNHRTSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C[C@H](C)O ZINC000252692587 645566978 /nfs/dbraw/zinc/56/69/78/645566978.db2.gz DDJUEXDMKCKOJS-SMDDNHRTSA-N 1 2 381.325 2.459 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1Br ZINC000261707211 645595506 /nfs/dbraw/zinc/59/55/06/645595506.db2.gz MEMKCQVFGYQASB-INIZCTEOSA-N 1 2 396.310 2.488 20 0 GEADLO O=S(=O)(c1ccc2c(c1)OCO2)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261809016 645602261 /nfs/dbraw/zinc/60/22/61/645602261.db2.gz WQSFMUGXTJCUAX-OAHLLOKOSA-N 1 2 380.853 2.404 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000264227880 645671304 /nfs/dbraw/zinc/67/13/04/645671304.db2.gz XTXPKPGGIHBROG-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000264227880 645671314 /nfs/dbraw/zinc/67/13/14/645671314.db2.gz XTXPKPGGIHBROG-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000264242450 645672987 /nfs/dbraw/zinc/67/29/87/645672987.db2.gz HNSJZIYEGXBYOX-UHFFFAOYSA-N 1 2 382.917 2.466 20 0 GEADLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000264733542 645708354 /nfs/dbraw/zinc/70/83/54/645708354.db2.gz QGDLBDZHICFCON-FRFSOERESA-N 1 2 384.929 2.163 20 0 GEADLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000264733542 645708356 /nfs/dbraw/zinc/70/83/56/645708356.db2.gz QGDLBDZHICFCON-FRFSOERESA-N 1 2 384.929 2.163 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCSc2ccc(Br)cc2)C1 ZINC000264742791 645709927 /nfs/dbraw/zinc/70/99/27/645709927.db2.gz KXJBLKMANFFNRJ-AWEZNQCLSA-N 1 2 386.359 2.293 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCSc2ccc(Br)cc2)C1 ZINC000264742791 645709933 /nfs/dbraw/zinc/70/99/33/645709933.db2.gz KXJBLKMANFFNRJ-AWEZNQCLSA-N 1 2 386.359 2.293 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000264796548 645718006 /nfs/dbraw/zinc/71/80/06/645718006.db2.gz DYDRQPRRUXHCRL-JTQLQIEISA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000264796548 645718011 /nfs/dbraw/zinc/71/80/11/645718011.db2.gz DYDRQPRRUXHCRL-JTQLQIEISA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000264796551 645718499 /nfs/dbraw/zinc/71/84/99/645718499.db2.gz DYDRQPRRUXHCRL-SNVBAGLBSA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000264796551 645718504 /nfs/dbraw/zinc/71/85/04/645718504.db2.gz DYDRQPRRUXHCRL-SNVBAGLBSA-N 1 2 396.738 2.108 20 0 GEADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000264949680 645730351 /nfs/dbraw/zinc/73/03/51/645730351.db2.gz KDGKIVWRWTYLFI-CHWSQXEVSA-N 1 2 388.559 2.414 20 0 GEADLO Cc1nonc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000265022217 645736930 /nfs/dbraw/zinc/73/69/30/645736930.db2.gz JBMMJSFEOPRIMP-UHFFFAOYSA-N 1 2 380.246 2.386 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000547849682 651047931 /nfs/dbraw/zinc/04/79/31/651047931.db2.gz GCPPLUPRQBUWNP-BXUZGUMPSA-N 1 2 382.873 2.095 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(Cl)c1 ZINC000266566813 645851080 /nfs/dbraw/zinc/85/10/80/645851080.db2.gz ZWEKRWAXHKCWTP-RYUDHWBXSA-N 1 2 377.890 2.259 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(Cl)c1 ZINC000266566813 645851081 /nfs/dbraw/zinc/85/10/81/645851081.db2.gz ZWEKRWAXHKCWTP-RYUDHWBXSA-N 1 2 377.890 2.259 20 0 GEADLO O=C(CSc1n[nH]c(=S)s1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000266963329 645868379 /nfs/dbraw/zinc/86/83/79/645868379.db2.gz IPTWMMWFOMUWLU-UHFFFAOYSA-N 1 2 396.563 2.432 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)c(Cl)cc1Cl ZINC000267056861 645876930 /nfs/dbraw/zinc/87/69/30/645876930.db2.gz ORFRZNWOKWUEQZ-SECBINFHSA-N 1 2 392.264 2.344 20 0 GEADLO Nc1ccnc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000268664130 645985464 /nfs/dbraw/zinc/98/54/64/645985464.db2.gz MEALKKDUGHJZKB-LLVKDONJSA-N 1 2 391.273 2.067 20 0 GEADLO Nc1ccnc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000268664130 645985471 /nfs/dbraw/zinc/98/54/71/645985471.db2.gz MEALKKDUGHJZKB-LLVKDONJSA-N 1 2 391.273 2.067 20 0 GEADLO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCSCC2)c1 ZINC000269644867 646047172 /nfs/dbraw/zinc/04/71/72/646047172.db2.gz AEPMIDUFTFUBKZ-KGLIPLIRSA-N 1 2 385.555 2.139 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCc1ccccc1Br ZINC000270971441 646159669 /nfs/dbraw/zinc/15/96/69/646159669.db2.gz BTTZSXOGFLJBDN-HNNXBMFYSA-N 1 2 394.269 2.395 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCc1ccccc1Br ZINC000270971441 646159672 /nfs/dbraw/zinc/15/96/72/646159672.db2.gz BTTZSXOGFLJBDN-HNNXBMFYSA-N 1 2 394.269 2.395 20 0 GEADLO O=C(c1cnn2cc(Br)cnc12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271211471 646180015 /nfs/dbraw/zinc/18/00/15/646180015.db2.gz BCHFEQXDWWGEHE-UHFFFAOYSA-N 1 2 375.230 2.235 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@H](NC(N)=O)C2)cc(Br)c1OC(F)F ZINC000271420890 646204037 /nfs/dbraw/zinc/20/40/37/646204037.db2.gz ZIQCZKSTUGEADY-VIFPVBQESA-N 1 2 394.216 2.302 20 0 GEADLO COc1cc(C[N@H+]2CC[C@H](NC(N)=O)C2)cc(Br)c1OC(F)F ZINC000271420890 646204042 /nfs/dbraw/zinc/20/40/42/646204042.db2.gz ZIQCZKSTUGEADY-VIFPVBQESA-N 1 2 394.216 2.302 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccccc1Br ZINC000272536840 646276544 /nfs/dbraw/zinc/27/65/44/646276544.db2.gz PJHVFDOWBYHKFK-CYBMUJFWSA-N 1 2 391.331 2.152 20 0 GEADLO C[C@H](O)C[NH+]1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1 ZINC000275053874 646345072 /nfs/dbraw/zinc/34/50/72/646345072.db2.gz UKCMAYQXUYWWGL-LBPRGKRZSA-N 1 2 383.279 2.042 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000277093716 646375677 /nfs/dbraw/zinc/37/56/77/646375677.db2.gz VMETUZBZURIKMO-HNNXBMFYSA-N 1 2 395.301 2.186 20 0 GEADLO O=C(c1nc(C2CC2)ncc1Br)N1CCN(c2cccc[nH+]2)CC1 ZINC000277913620 646481836 /nfs/dbraw/zinc/48/18/36/646481836.db2.gz SEDCZNXCGKUPPN-UHFFFAOYSA-N 1 2 388.269 2.474 20 0 GEADLO C[C@H]([C@@H](C)[NH+]1CCOCC1)N1C(=O)N[C@H](c2ccc(Br)cc2)C1=O ZINC000277969564 646484586 /nfs/dbraw/zinc/48/45/86/646484586.db2.gz SDHDBFBYQOESLR-LALPHHSUSA-N 1 2 396.285 2.151 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000278442479 646519866 /nfs/dbraw/zinc/51/98/66/646519866.db2.gz WKLQUBJIVALLTN-RYUDHWBXSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000278442479 646519870 /nfs/dbraw/zinc/51/98/70/646519870.db2.gz WKLQUBJIVALLTN-RYUDHWBXSA-N 1 2 376.266 2.359 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cc(Br)cs1 ZINC000278686724 646539200 /nfs/dbraw/zinc/53/92/00/646539200.db2.gz BIBILCNGBZGYII-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO CC(=O)CSCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000278845652 646556600 /nfs/dbraw/zinc/55/66/00/646556600.db2.gz RZSIOYSHDLGDLM-UHFFFAOYSA-N 1 2 384.299 2.386 20 0 GEADLO COC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000278988269 646569174 /nfs/dbraw/zinc/56/91/74/646569174.db2.gz RVCDCCJBOLGJBL-VIFPVBQESA-N 1 2 379.404 2.224 20 0 GEADLO Cc1nn(C)c(CNC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1Br ZINC000279127946 646580026 /nfs/dbraw/zinc/58/00/26/646580026.db2.gz MHIRWHZDKGGJKM-INIZCTEOSA-N 1 2 393.329 2.482 20 0 GEADLO Cc1nn(C)c(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Br ZINC000279127946 646580029 /nfs/dbraw/zinc/58/00/29/646580029.db2.gz MHIRWHZDKGGJKM-INIZCTEOSA-N 1 2 393.329 2.482 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCOc1cccc(I)c1 ZINC000279434056 646601278 /nfs/dbraw/zinc/60/12/78/646601278.db2.gz GWWWFHPAZQMOGC-GFCCVEGCSA-N 1 2 399.232 2.462 20 0 GEADLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1Cl ZINC000280316014 646670605 /nfs/dbraw/zinc/67/06/05/646670605.db2.gz OWTWTNLKABSDIN-AWEZNQCLSA-N 1 2 384.889 2.360 20 0 GEADLO CC[N@H+](CCOc1ccc(Br)cc1)Cc1nnc2n1CCOC2 ZINC000280997118 646736132 /nfs/dbraw/zinc/73/61/32/646736132.db2.gz FPEROOIYYJNCAV-UHFFFAOYSA-N 1 2 381.274 2.472 20 0 GEADLO CC[N@@H+](CCOc1ccc(Br)cc1)Cc1nnc2n1CCOC2 ZINC000280997118 646736136 /nfs/dbraw/zinc/73/61/36/646736136.db2.gz FPEROOIYYJNCAV-UHFFFAOYSA-N 1 2 381.274 2.472 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000281020083 646738577 /nfs/dbraw/zinc/73/85/77/646738577.db2.gz OGNZBXSIDKVSFC-UHFFFAOYSA-N 1 2 384.889 2.013 20 0 GEADLO CC1=C(Br)C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000281328742 646761873 /nfs/dbraw/zinc/76/18/73/646761873.db2.gz YOMDRLJNTMIHNB-UHFFFAOYSA-N 1 2 375.288 2.087 20 0 GEADLO CC1=C(Br)C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000281328742 646761878 /nfs/dbraw/zinc/76/18/78/646761878.db2.gz YOMDRLJNTMIHNB-UHFFFAOYSA-N 1 2 375.288 2.087 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000281514942 646777797 /nfs/dbraw/zinc/77/77/97/646777797.db2.gz GYZNSNQSBTXEQN-AWEZNQCLSA-N 1 2 377.242 2.027 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000281514942 646777800 /nfs/dbraw/zinc/77/78/00/646777800.db2.gz GYZNSNQSBTXEQN-AWEZNQCLSA-N 1 2 377.242 2.027 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cc2[nH]cnc21)[C@@H](C)[NH+]1CCOCC1 ZINC000281993190 646809120 /nfs/dbraw/zinc/80/91/20/646809120.db2.gz CNWPCMRLRHCBLP-GHMZBOCLSA-N 1 2 381.274 2.164 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000282013145 646810073 /nfs/dbraw/zinc/81/00/73/646810073.db2.gz WVGRGVHJDIXGKI-HNNXBMFYSA-N 1 2 391.269 2.037 20 0 GEADLO NC(=O)c1ncn(C2CC[NH+](Cc3ccc(Br)cc3F)CC2)c1N ZINC000283660411 646825914 /nfs/dbraw/zinc/82/59/14/646825914.db2.gz BUGARYLTAYPFGS-UHFFFAOYSA-N 1 2 396.264 2.303 20 0 GEADLO O=S1(=O)CCC[C@H](C[NH+]2CCN(c3cccc(Br)c3)CC2)C1 ZINC000284679069 646844296 /nfs/dbraw/zinc/84/42/96/646844296.db2.gz GULXXPQZDDYIEA-CQSZACIVSA-N 1 2 387.343 2.396 20 0 GEADLO O=C(NCc1ccsc1Br)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000287474719 646887635 /nfs/dbraw/zinc/88/76/35/646887635.db2.gz FYJITBIFOILNRE-UHFFFAOYSA-N 1 2 397.298 2.187 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000287889180 646900559 /nfs/dbraw/zinc/90/05/59/646900559.db2.gz GUEGKZXLKBYEQT-ZDUSSCGKSA-N 1 2 377.242 2.027 20 0 GEADLO COCCCONC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000288068477 646907577 /nfs/dbraw/zinc/90/75/77/646907577.db2.gz QOFSHGCIAKUVJK-UHFFFAOYSA-N 1 2 385.262 2.215 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000290211337 647172493 /nfs/dbraw/zinc/17/24/93/647172493.db2.gz IVNZFEQHEDGGIM-ZJUUUORDSA-N 1 2 382.814 2.089 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000291192023 647178018 /nfs/dbraw/zinc/17/80/18/647178018.db2.gz DBFJUECJACOZLA-UHFFFAOYSA-N 1 2 384.889 2.080 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000292174008 647184401 /nfs/dbraw/zinc/18/44/01/647184401.db2.gz AFLDAGQIBLLLJL-ZDUSSCGKSA-N 1 2 378.274 2.261 20 0 GEADLO COC(=O)c1sc2ccccc2c1C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000297968114 647268995 /nfs/dbraw/zinc/26/89/95/647268995.db2.gz VAFLLFJAYBUVNL-UHFFFAOYSA-N 1 2 382.507 2.155 20 0 GEADLO COC(=O)c1sc2ccccc2c1C[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000297968114 647268999 /nfs/dbraw/zinc/26/89/99/647268999.db2.gz VAFLLFJAYBUVNL-UHFFFAOYSA-N 1 2 382.507 2.155 20 0 GEADLO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCn2ncnc2C1 ZINC000329974776 647326877 /nfs/dbraw/zinc/32/68/77/647326877.db2.gz XSYZYIMWMGFNBI-MRXNPFEDSA-N 1 2 390.285 2.220 20 0 GEADLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)C1=O ZINC000331562577 647389043 /nfs/dbraw/zinc/38/90/43/647389043.db2.gz GDEGVSOPQAAKOU-HUBLWGQQSA-N 1 2 396.285 2.151 20 0 GEADLO C[C@@H]1NC(=O)N(CC[N@H+]2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)C1=O ZINC000331562577 647389048 /nfs/dbraw/zinc/38/90/48/647389048.db2.gz GDEGVSOPQAAKOU-HUBLWGQQSA-N 1 2 396.285 2.151 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000332523579 647441378 /nfs/dbraw/zinc/44/13/78/647441378.db2.gz NNVQSVCWHGEDNE-GXTWGEPZSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332523579 647441383 /nfs/dbraw/zinc/44/13/83/647441383.db2.gz NNVQSVCWHGEDNE-GXTWGEPZSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc1Cl ZINC000332526126 647441943 /nfs/dbraw/zinc/44/19/43/647441943.db2.gz OUMAAOQOCTWAIJ-STQMWFEESA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1Cl ZINC000332526126 647441945 /nfs/dbraw/zinc/44/19/45/647441945.db2.gz OUMAAOQOCTWAIJ-STQMWFEESA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1Cl ZINC000332526125 647442026 /nfs/dbraw/zinc/44/20/26/647442026.db2.gz OUMAAOQOCTWAIJ-QWHCGFSZSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1Cl ZINC000332526125 647442030 /nfs/dbraw/zinc/44/20/30/647442030.db2.gz OUMAAOQOCTWAIJ-QWHCGFSZSA-N 1 2 386.901 2.374 20 0 GEADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000333087393 647460000 /nfs/dbraw/zinc/46/00/00/647460000.db2.gz YRBZYVXFBRPUMA-ZDUSSCGKSA-N 1 2 397.317 2.232 20 0 GEADLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000333087393 647460002 /nfs/dbraw/zinc/46/00/02/647460002.db2.gz YRBZYVXFBRPUMA-ZDUSSCGKSA-N 1 2 397.317 2.232 20 0 GEADLO CN1CC[N@H+](C)C[C@H]1c1noc(C2(c3cncc(Br)c3)CC2)n1 ZINC000350065300 647528368 /nfs/dbraw/zinc/52/83/68/647528368.db2.gz KEKJCEFUBQXROU-ZDUSSCGKSA-N 1 2 378.274 2.225 20 0 GEADLO CN1CC[N@@H+](C)C[C@H]1c1noc(C2(c3cncc(Br)c3)CC2)n1 ZINC000350065300 647528381 /nfs/dbraw/zinc/52/83/81/647528381.db2.gz KEKJCEFUBQXROU-ZDUSSCGKSA-N 1 2 378.274 2.225 20 0 GEADLO C[N@H+](Cc1nc(Cc2cc(Br)c[nH]c2=O)no1)[C@H]1CCSC1 ZINC000350592730 647535336 /nfs/dbraw/zinc/53/53/36/647535336.db2.gz HLMAYEPNXCIWPQ-NSHDSACASA-N 1 2 385.287 2.461 20 0 GEADLO C[N@@H+](Cc1nc(Cc2cc(Br)c[nH]c2=O)no1)[C@H]1CCSC1 ZINC000350592730 647535341 /nfs/dbraw/zinc/53/53/41/647535341.db2.gz HLMAYEPNXCIWPQ-NSHDSACASA-N 1 2 385.287 2.461 20 0 GEADLO O=C(Cc1ccccc1Br)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000363085135 647583703 /nfs/dbraw/zinc/58/37/03/647583703.db2.gz SHTZFPLCLCXTHN-QGZVFWFLSA-N 1 2 399.354 2.316 20 0 GEADLO CC(C)(CNC(=O)CN1CCSC[C@@H]1c1cccs1)[NH+]1CCOCC1 ZINC000363285658 647591341 /nfs/dbraw/zinc/59/13/41/647591341.db2.gz PVTRHDOOBQOXML-OAHLLOKOSA-N 1 2 383.583 2.065 20 0 GEADLO C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1ncc(Br)cc1F ZINC000364476055 647628673 /nfs/dbraw/zinc/62/86/73/647628673.db2.gz CUMKXQALCSZMMB-SKDRFNHKSA-N 1 2 382.237 2.173 20 0 GEADLO O=C(NCc1ccc(F)cc1Br)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366110297 647693270 /nfs/dbraw/zinc/69/32/70/647693270.db2.gz IAMQDXAVDPMIEG-AWEZNQCLSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(NCc1ccc(F)cc1Br)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366110297 647693272 /nfs/dbraw/zinc/69/32/72/647693272.db2.gz IAMQDXAVDPMIEG-AWEZNQCLSA-N 1 2 386.265 2.251 20 0 GEADLO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)sc1S(N)(=O)=O ZINC000367219138 647724801 /nfs/dbraw/zinc/72/48/01/647724801.db2.gz LYLAMBFDUKAAKV-CHWSQXEVSA-N 1 2 388.465 2.234 20 0 GEADLO Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)sc1S(N)(=O)=O ZINC000367219138 647724807 /nfs/dbraw/zinc/72/48/07/647724807.db2.gz LYLAMBFDUKAAKV-CHWSQXEVSA-N 1 2 388.465 2.234 20 0 GEADLO COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000367528925 647735241 /nfs/dbraw/zinc/73/52/41/647735241.db2.gz KDVPTPWUXBJVLU-CQSZACIVSA-N 1 2 378.441 2.199 20 0 GEADLO COc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000367528925 647735244 /nfs/dbraw/zinc/73/52/44/647735244.db2.gz KDVPTPWUXBJVLU-CQSZACIVSA-N 1 2 378.441 2.199 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)COc1ccccc1Br ZINC000367637976 647741798 /nfs/dbraw/zinc/74/17/98/647741798.db2.gz NJPWJVXSAGMBCE-ZIAGYGMSSA-N 1 2 383.286 2.150 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000368646626 647762763 /nfs/dbraw/zinc/76/27/63/647762763.db2.gz JOGJTWAEBIHBCJ-NSHDSACASA-N 1 2 376.258 2.480 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369037833 647767538 /nfs/dbraw/zinc/76/75/38/647767538.db2.gz ZTTQGBSYBLATOS-BDJLRTHQSA-N 1 2 382.258 2.351 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369037833 647767542 /nfs/dbraw/zinc/76/75/42/647767542.db2.gz ZTTQGBSYBLATOS-BDJLRTHQSA-N 1 2 382.258 2.351 20 0 GEADLO O=C(COc1ccccc1Br)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374327783 647821111 /nfs/dbraw/zinc/82/11/11/647821111.db2.gz HJJLGWHBODLMLZ-OAHLLOKOSA-N 1 2 376.254 2.396 20 0 GEADLO CCC(=O)N1CCC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000376095773 647839706 /nfs/dbraw/zinc/83/97/06/647839706.db2.gz JARJUYVCSCOTRY-INIZCTEOSA-N 1 2 394.313 2.499 20 0 GEADLO CCC(=O)N1CCC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000376095773 647839708 /nfs/dbraw/zinc/83/97/08/647839708.db2.gz JARJUYVCSCOTRY-INIZCTEOSA-N 1 2 394.313 2.499 20 0 GEADLO O=C(NCCn1cc(Br)cn1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000376295549 647842686 /nfs/dbraw/zinc/84/26/86/647842686.db2.gz ZAGSDZBTJKHZLC-UHFFFAOYSA-N 1 2 393.289 2.009 20 0 GEADLO O=C(Nc1c[nH+]ccc1-n1ccnn1)c1cn2ccc(Br)cc2n1 ZINC000377482207 647859752 /nfs/dbraw/zinc/85/97/52/647859752.db2.gz QWNGIPZBFHGRAR-UHFFFAOYSA-N 1 2 384.197 2.325 20 0 GEADLO O=C(CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)Nc1ccc(Br)cc1 ZINC000377663576 647863715 /nfs/dbraw/zinc/86/37/15/647863715.db2.gz VKNAJEVUBCJKBT-GFCCVEGCSA-N 1 2 377.242 2.347 20 0 GEADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC(n2ccnn2)C1 ZINC000378548127 647883985 /nfs/dbraw/zinc/88/39/85/647883985.db2.gz ZFWYVGNYVKAOLB-INIZCTEOSA-N 1 2 390.285 2.261 20 0 GEADLO OC[C@@]1(O)CCC[N@H+](Cc2cc(Cl)ccc2I)C1 ZINC000405236982 647909635 /nfs/dbraw/zinc/90/96/35/647909635.db2.gz YYPDLRWBUFJZNA-CYBMUJFWSA-N 1 2 381.641 2.264 20 0 GEADLO OC[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC000405236982 647909638 /nfs/dbraw/zinc/90/96/38/647909638.db2.gz YYPDLRWBUFJZNA-CYBMUJFWSA-N 1 2 381.641 2.264 20 0 GEADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000408115079 647928188 /nfs/dbraw/zinc/92/81/88/647928188.db2.gz KKWPVWXWNDLZQU-JTQLQIEISA-N 1 2 382.860 2.084 20 0 GEADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000408115079 647928194 /nfs/dbraw/zinc/92/81/94/647928194.db2.gz KKWPVWXWNDLZQU-JTQLQIEISA-N 1 2 382.860 2.084 20 0 GEADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000408388753 647950387 /nfs/dbraw/zinc/95/03/87/647950387.db2.gz WRYLWFUFWCXBHI-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000408388753 647950400 /nfs/dbraw/zinc/95/04/00/647950400.db2.gz WRYLWFUFWCXBHI-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409712101 647980396 /nfs/dbraw/zinc/98/03/96/647980396.db2.gz XGFINVXIPJVXJA-SWLSCSKDSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409712101 647980409 /nfs/dbraw/zinc/98/04/09/647980409.db2.gz XGFINVXIPJVXJA-SWLSCSKDSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@](O)(C[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)C(F)(F)F ZINC000410334003 648002053 /nfs/dbraw/zinc/00/20/53/648002053.db2.gz BHMRVPCIRMELQM-HNNXBMFYSA-N 1 2 376.810 2.419 20 0 GEADLO C[C@H](O)CNc1cc(N(C)CC(=O)Nc2ccccc2Br)nc[nH+]1 ZINC000413025138 648057275 /nfs/dbraw/zinc/05/72/75/648057275.db2.gz GFMPPFQWXDQUIM-NSHDSACASA-N 1 2 394.273 2.107 20 0 GEADLO C[C@H](O)CNc1cc(N(C)CC(=O)Nc2ccccc2Br)[nH+]cn1 ZINC000413025138 648057281 /nfs/dbraw/zinc/05/72/81/648057281.db2.gz GFMPPFQWXDQUIM-NSHDSACASA-N 1 2 394.273 2.107 20 0 GEADLO CS(=O)(=O)N1CC[C@H](CNc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000413204671 648063570 /nfs/dbraw/zinc/06/35/70/648063570.db2.gz OICQTMDOBPQGQC-LLVKDONJSA-N 1 2 384.299 2.691 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C[C@@H]1C ZINC000416454847 648130438 /nfs/dbraw/zinc/13/04/38/648130438.db2.gz SUVSEMICUOVCAP-RYUDHWBXSA-N 1 2 376.906 2.460 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C[C@@H]1C ZINC000416454847 648130441 /nfs/dbraw/zinc/13/04/41/648130441.db2.gz SUVSEMICUOVCAP-RYUDHWBXSA-N 1 2 376.906 2.460 20 0 GEADLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416496732 648149656 /nfs/dbraw/zinc/14/96/56/648149656.db2.gz PWSGXQONOIFGTC-LBPRGKRZSA-N 1 2 376.906 2.462 20 0 GEADLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416496732 648149658 /nfs/dbraw/zinc/14/96/58/648149658.db2.gz PWSGXQONOIFGTC-LBPRGKRZSA-N 1 2 376.906 2.462 20 0 GEADLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1C(F)(F)F ZINC000416665554 648206314 /nfs/dbraw/zinc/20/63/14/648206314.db2.gz ODJQBLFRCRBQIZ-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1C(F)(F)F ZINC000416665554 648206322 /nfs/dbraw/zinc/20/63/22/648206322.db2.gz ODJQBLFRCRBQIZ-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO COc1cc(F)c(Br)cc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417557771 648252608 /nfs/dbraw/zinc/25/26/08/648252608.db2.gz SLKGDXSVHOOFHS-JTQLQIEISA-N 1 2 390.253 2.439 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)cs1 ZINC000420468143 648418729 /nfs/dbraw/zinc/41/87/29/648418729.db2.gz ZHLZYAPCBNFGTE-SNVBAGLBSA-N 1 2 384.454 2.361 20 0 GEADLO CO[C@@H](CC(C)C)CS(=O)(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000420681028 648434195 /nfs/dbraw/zinc/43/41/95/648434195.db2.gz YKCKEXYSAOGAIE-IRXDYDNUSA-N 1 2 376.563 2.000 20 0 GEADLO CO[C@H](CC(C)C)CS(=O)(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000420681027 648434389 /nfs/dbraw/zinc/43/43/89/648434389.db2.gz YKCKEXYSAOGAIE-IAGOWNOFSA-N 1 2 376.563 2.000 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000422096141 648522013 /nfs/dbraw/zinc/52/20/13/648522013.db2.gz NHPVJZCRMLFQJT-JTQLQIEISA-N 1 2 399.676 2.120 20 0 GEADLO Cc1cc(CNC(=O)C(=O)N(C)Cc2ccc(Br)o2)cc(C)[nH+]1 ZINC000422587542 648560675 /nfs/dbraw/zinc/56/06/75/648560675.db2.gz INCZBUMGCSLKDZ-UHFFFAOYSA-N 1 2 380.242 2.329 20 0 GEADLO Cc1ccc(NC(=O)[C@H]([NH3+])c2cscn2)cc1S(=O)(=O)NC(C)(C)C ZINC000423212936 648587890 /nfs/dbraw/zinc/58/78/90/648587890.db2.gz JHFHWPHNHCYWTK-CQSZACIVSA-N 1 2 382.511 2.167 20 0 GEADLO O=C(NCCc1c(Cl)cccc1Cl)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424506155 648631801 /nfs/dbraw/zinc/63/18/01/648631801.db2.gz LWCWVCGWNVBNEO-SNVBAGLBSA-N 1 2 394.249 2.013 20 0 GEADLO COc1ncc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1Br ZINC000424845233 648652488 /nfs/dbraw/zinc/65/24/88/648652488.db2.gz DHUKGUSVAJCLBC-UHFFFAOYSA-N 1 2 386.290 2.036 20 0 GEADLO COc1ncc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1Br ZINC000424845233 648652494 /nfs/dbraw/zinc/65/24/94/648652494.db2.gz DHUKGUSVAJCLBC-UHFFFAOYSA-N 1 2 386.290 2.036 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)CCOc1ccccc1I ZINC000426709006 648713910 /nfs/dbraw/zinc/71/39/10/648713910.db2.gz PLOGDMSNOYCXGT-UHFFFAOYSA-N 1 2 385.205 2.408 20 0 GEADLO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427053827 648721123 /nfs/dbraw/zinc/72/11/23/648721123.db2.gz UYGLYWFPZIXOOS-LLVKDONJSA-N 1 2 377.242 2.024 20 0 GEADLO CSC[C@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000429269086 648748284 /nfs/dbraw/zinc/74/82/84/648748284.db2.gz CDOVDRHLSDPPAY-NSHDSACASA-N 1 2 391.946 2.001 20 0 GEADLO CSC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000429269086 648748293 /nfs/dbraw/zinc/74/82/93/648748293.db2.gz CDOVDRHLSDPPAY-NSHDSACASA-N 1 2 391.946 2.001 20 0 GEADLO O=S(=O)(NCC[NH+]1CCSCC1)c1cc(Cl)ccc1Br ZINC000429828092 648753093 /nfs/dbraw/zinc/75/30/93/648753093.db2.gz SCWUAJFDENHHAQ-UHFFFAOYSA-N 1 2 399.763 2.430 20 0 GEADLO CC(=O)Nc1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000432512324 648776781 /nfs/dbraw/zinc/77/67/81/648776781.db2.gz GBCWKDGMHOAIRD-OAHLLOKOSA-N 1 2 377.242 2.119 20 0 GEADLO CS[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2O)C[C@@H]1[NH+](C)C ZINC000436845893 648795582 /nfs/dbraw/zinc/79/55/82/648795582.db2.gz AQYADRWSXVAXTA-NWDGAFQWSA-N 1 2 377.279 2.411 20 0 GEADLO O=C(c1cc(F)cc(Br)c1O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000436850539 648796402 /nfs/dbraw/zinc/79/64/02/648796402.db2.gz IIKRBWSOJMKATB-LLVKDONJSA-N 1 2 387.249 2.088 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000443981827 648894113 /nfs/dbraw/zinc/89/41/13/648894113.db2.gz GAGZXGIMRMKIOQ-LLVKDONJSA-N 1 2 385.287 2.146 20 0 GEADLO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000548295442 651076175 /nfs/dbraw/zinc/07/61/75/651076175.db2.gz HHNBQSFRZLTJLT-NSHDSACASA-N 1 2 399.314 2.005 20 0 GEADLO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548639433 651082433 /nfs/dbraw/zinc/08/24/33/651082433.db2.gz PNQJTUIVXDUHLJ-QWRGUYRKSA-N 1 2 381.263 2.439 20 0 GEADLO Cc1cc(NC(=O)CC[N@@H+]2CCOc3ccc(Br)cc3C2)no1 ZINC000549475683 651097564 /nfs/dbraw/zinc/09/75/64/651097564.db2.gz GEHXFYUPNVAXHQ-UHFFFAOYSA-N 1 2 380.242 2.969 20 0 GEADLO Cc1cc(NC(=O)CC[N@H+]2CCOc3ccc(Br)cc3C2)no1 ZINC000549475683 651097565 /nfs/dbraw/zinc/09/75/65/651097565.db2.gz GEHXFYUPNVAXHQ-UHFFFAOYSA-N 1 2 380.242 2.969 20 0 GEADLO NC(=O)C[C@@H]([NH2+]Cc1ncc(I)s1)c1ccccc1 ZINC000549911597 651102669 /nfs/dbraw/zinc/10/26/69/651102669.db2.gz YETZIOFIGRSJFC-SNVBAGLBSA-N 1 2 387.246 2.454 20 0 GEADLO CN(CCC(F)(F)F)C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000550416678 651110880 /nfs/dbraw/zinc/11/08/80/651110880.db2.gz MZIYBUOLPBVPSL-ZDUSSCGKSA-N 1 2 379.810 2.470 20 0 GEADLO CC[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC000550421096 651111122 /nfs/dbraw/zinc/11/11/22/651111122.db2.gz NMYCIUQGCRMCNJ-XJKSGUPXSA-N 1 2 383.945 2.413 20 0 GEADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000550446254 651111475 /nfs/dbraw/zinc/11/14/75/651111475.db2.gz KPWRHAKUKHOBTN-HNNXBMFYSA-N 1 2 391.269 2.126 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(Br)c(F)c1)C2 ZINC000552007279 651137662 /nfs/dbraw/zinc/13/76/62/651137662.db2.gz SLUBPILSVOMOGW-GFCCVEGCSA-N 1 2 396.260 2.373 20 0 GEADLO O=C([C@H]1CCS(=O)(=O)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000552028414 651138434 /nfs/dbraw/zinc/13/84/34/651138434.db2.gz UJFCVRXAJNJJQY-HNNXBMFYSA-N 1 2 381.885 2.000 20 0 GEADLO Cn1nccc1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552806802 651158470 /nfs/dbraw/zinc/15/84/70/651158470.db2.gz MVVYQSLNXIOSME-UHFFFAOYSA-N 1 2 378.230 2.315 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)[C@@H](C)C1 ZINC000553001712 651162263 /nfs/dbraw/zinc/16/22/63/651162263.db2.gz NAIBCTCJUKETQO-JTQLQIEISA-N 1 2 398.248 2.334 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)[C@@H](C)C1 ZINC000553001712 651162279 /nfs/dbraw/zinc/16/22/79/651162279.db2.gz NAIBCTCJUKETQO-JTQLQIEISA-N 1 2 398.248 2.334 20 0 GEADLO O=C(NCc1ccc(O)c(Br)c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553102896 651164909 /nfs/dbraw/zinc/16/49/09/651164909.db2.gz MAAMWVDLELAGNA-UHFFFAOYSA-N 1 2 389.209 2.057 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)ccc1Br ZINC000553405517 651174290 /nfs/dbraw/zinc/17/42/90/651174290.db2.gz RFZJHQAZAAQCMF-GFCCVEGCSA-N 1 2 391.269 2.271 20 0 GEADLO COc1ccc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c(Br)c1 ZINC000554849601 651214334 /nfs/dbraw/zinc/21/43/34/651214334.db2.gz XTWNGPPTYVLSMX-CYBMUJFWSA-N 1 2 391.331 2.361 20 0 GEADLO COc1ccc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c(Br)c1 ZINC000554849601 651214336 /nfs/dbraw/zinc/21/43/36/651214336.db2.gz XTWNGPPTYVLSMX-CYBMUJFWSA-N 1 2 391.331 2.361 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000556892418 651256237 /nfs/dbraw/zinc/25/62/37/651256237.db2.gz LOVPIMHNILMLSA-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO OCc1cn([C@@H]2CCC[N@H+](Cc3cn4ccc(Br)cc4n3)C2)nn1 ZINC000556933969 651257512 /nfs/dbraw/zinc/25/75/12/651257512.db2.gz QJBPRRHBDKLMCA-OAHLLOKOSA-N 1 2 391.273 2.018 20 0 GEADLO OCc1cn([C@@H]2CCC[N@@H+](Cc3cn4ccc(Br)cc4n3)C2)nn1 ZINC000556933969 651257516 /nfs/dbraw/zinc/25/75/16/651257516.db2.gz QJBPRRHBDKLMCA-OAHLLOKOSA-N 1 2 391.273 2.018 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2C)C1 ZINC000556989122 651259444 /nfs/dbraw/zinc/25/94/44/651259444.db2.gz BWTXIMJMEHBSAY-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2C)C1 ZINC000556989122 651259448 /nfs/dbraw/zinc/25/94/48/651259448.db2.gz BWTXIMJMEHBSAY-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO C[NH+](C)[C@H](C(=O)N1CCN(CC(F)(F)F)C(=O)C1)c1cccc(Cl)c1 ZINC000557669294 651271675 /nfs/dbraw/zinc/27/16/75/651271675.db2.gz DDZVCDDJTCUEEI-AWEZNQCLSA-N 1 2 377.794 2.176 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCc2cccc(Br)c2)C1 ZINC000558434231 651279261 /nfs/dbraw/zinc/27/92/61/651279261.db2.gz HTVMYSXVCHBJFO-OAHLLOKOSA-N 1 2 397.313 2.383 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCc2cccc(Br)c2)C1 ZINC000558434231 651279265 /nfs/dbraw/zinc/27/92/65/651279265.db2.gz HTVMYSXVCHBJFO-OAHLLOKOSA-N 1 2 397.313 2.383 20 0 GEADLO O=S1(=O)CCC[C@@H](C[N@@H+](CCO)Cc2cc(Br)cs2)C1 ZINC000560197178 651304803 /nfs/dbraw/zinc/30/48/03/651304803.db2.gz DLUMZXQNAYGVSH-NSHDSACASA-N 1 2 382.345 2.130 20 0 GEADLO O=S1(=O)CCC[C@@H](C[N@H+](CCO)Cc2cc(Br)cs2)C1 ZINC000560197178 651304806 /nfs/dbraw/zinc/30/48/06/651304806.db2.gz DLUMZXQNAYGVSH-NSHDSACASA-N 1 2 382.345 2.130 20 0 GEADLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000560472127 651310555 /nfs/dbraw/zinc/31/05/55/651310555.db2.gz IKJXJKDZPHVTLG-UHFFFAOYSA-N 1 2 396.310 2.349 20 0 GEADLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000560472127 651310558 /nfs/dbraw/zinc/31/05/58/651310558.db2.gz IKJXJKDZPHVTLG-UHFFFAOYSA-N 1 2 396.310 2.349 20 0 GEADLO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000560896904 651472084 /nfs/dbraw/zinc/47/20/84/651472084.db2.gz VUJKETKRFFRTSA-WKPIXPDZSA-N 1 2 381.274 2.403 20 0 GEADLO COC(=O)[C@H]([NH3+])Cc1cn(Cc2cc(Cl)c(C)cc2Br)nn1 ZINC000603252773 651474286 /nfs/dbraw/zinc/47/42/86/651474286.db2.gz SDJAMMDZJBYVIQ-CYBMUJFWSA-N 1 2 387.665 2.094 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000642771317 651474657 /nfs/dbraw/zinc/47/46/57/651474657.db2.gz FLGNKPCFAAAXFV-CABCVRRESA-N 1 2 379.309 2.213 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000642773261 651474754 /nfs/dbraw/zinc/47/47/54/651474754.db2.gz GHTFWLHYYBBJEK-STQMWFEESA-N 1 2 379.309 2.213 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000642771320 651474778 /nfs/dbraw/zinc/47/47/78/651474778.db2.gz FLGNKPCFAAAXFV-LSDHHAIUSA-N 1 2 379.309 2.213 20 0 GEADLO O=C(CCNc1ncccc1Br)N1CCN(c2cccc[nH+]2)CC1 ZINC000561153624 651475486 /nfs/dbraw/zinc/47/54/86/651475486.db2.gz KKTDGDXVSQCORI-UHFFFAOYSA-N 1 2 390.285 2.390 20 0 GEADLO CCOC(=O)c1sc2ccsc2c1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000603282126 651476505 /nfs/dbraw/zinc/47/65/05/651476505.db2.gz QVIZIWGPFJLVHJ-UHFFFAOYSA-N 1 2 399.519 2.456 20 0 GEADLO O=C(Cn1c(=O)scc1C(F)(F)F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000643347855 651483651 /nfs/dbraw/zinc/48/36/51/651483651.db2.gz SINATCVHPSXZLD-UHFFFAOYSA-N 1 2 391.440 2.335 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NC2(c3ccc(Br)cc3)CC2)CCO1 ZINC000726253653 651488271 /nfs/dbraw/zinc/48/82/71/651488271.db2.gz DZXSHQHTGDNDEL-CYBMUJFWSA-N 1 2 382.302 2.458 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NC2(c3ccc(Br)cc3)CC2)CCO1 ZINC000726253653 651488278 /nfs/dbraw/zinc/48/82/78/651488278.db2.gz DZXSHQHTGDNDEL-CYBMUJFWSA-N 1 2 382.302 2.458 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000562068189 651488407 /nfs/dbraw/zinc/48/84/07/651488407.db2.gz GCLLAHNQFXVXAL-UHFFFAOYSA-N 1 2 380.539 2.124 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000562068189 651488409 /nfs/dbraw/zinc/48/84/09/651488409.db2.gz GCLLAHNQFXVXAL-UHFFFAOYSA-N 1 2 380.539 2.124 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000726259870 651488876 /nfs/dbraw/zinc/48/88/76/651488876.db2.gz VFXBHRAJHASKDM-IUODEOHRSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000726259870 651488879 /nfs/dbraw/zinc/48/88/79/651488879.db2.gz VFXBHRAJHASKDM-IUODEOHRSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CCO1 ZINC000726712874 651499922 /nfs/dbraw/zinc/49/99/22/651499922.db2.gz PEMBITKKDHVRCZ-KCXAZCMYSA-N 1 2 382.302 2.325 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CCO1 ZINC000726712874 651499924 /nfs/dbraw/zinc/49/99/24/651499924.db2.gz PEMBITKKDHVRCZ-KCXAZCMYSA-N 1 2 382.302 2.325 20 0 GEADLO CCOC(=O)N(C)C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000726969589 651507628 /nfs/dbraw/zinc/50/76/28/651507628.db2.gz AJLWRYLMHBBNRW-UHFFFAOYSA-N 1 2 399.289 2.335 20 0 GEADLO CCOc1ccc(S(=O)(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1Br ZINC000565774586 651598610 /nfs/dbraw/zinc/59/86/10/651598610.db2.gz GJRYDUFUAMBZCA-AWEZNQCLSA-N 1 2 395.294 2.170 20 0 GEADLO O=S1(=O)C[C@H](C[NH2+]Cc2ncc(Br)s2)Oc2ccccc21 ZINC000566216828 651604086 /nfs/dbraw/zinc/60/40/86/651604086.db2.gz GKZXYSDCCAYZFR-VIFPVBQESA-N 1 2 389.296 2.230 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc3ccc(F)cc3s2)CC1 ZINC000731648439 651630455 /nfs/dbraw/zinc/63/04/55/651630455.db2.gz FJVHNSYNELBWBR-UHFFFAOYSA-N 1 2 384.498 2.279 20 0 GEADLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000567640629 651631675 /nfs/dbraw/zinc/63/16/75/651631675.db2.gz CFUYGBXNMGTVEG-LBPRGKRZSA-N 1 2 378.270 2.457 20 0 GEADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000567640629 651631682 /nfs/dbraw/zinc/63/16/82/651631682.db2.gz CFUYGBXNMGTVEG-LBPRGKRZSA-N 1 2 378.270 2.457 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000567822972 651636349 /nfs/dbraw/zinc/63/63/49/651636349.db2.gz CFSQTRWCIIEUQP-UHFFFAOYSA-N 1 2 379.766 2.341 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000610262725 651652409 /nfs/dbraw/zinc/65/24/09/651652409.db2.gz RYGGCVNYARXTQK-CQSZACIVSA-N 1 2 383.857 2.349 20 0 GEADLO O=C(CN1CCC[C@H]([NH+]2CCOCC2)C1)Nc1ccccc1Br ZINC000568178822 651654577 /nfs/dbraw/zinc/65/45/77/651654577.db2.gz YMTFZNHHRFHLQJ-AWEZNQCLSA-N 1 2 382.302 2.184 20 0 GEADLO O=C(NC[C@H]1CC1(Cl)Cl)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732443333 651657868 /nfs/dbraw/zinc/65/78/68/651657868.db2.gz WYUVTDOFDFJUEF-CVEARBPZSA-N 1 2 386.323 2.423 20 0 GEADLO O=c1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)nc2ccc(Br)cn12 ZINC000568967851 651692933 /nfs/dbraw/zinc/69/29/33/651692933.db2.gz ABVPKEJEXHGASJ-OAHLLOKOSA-N 1 2 378.270 2.458 20 0 GEADLO O=c1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)nc2ccc(Br)cn12 ZINC000568967851 651692935 /nfs/dbraw/zinc/69/29/35/651692935.db2.gz ABVPKEJEXHGASJ-OAHLLOKOSA-N 1 2 378.270 2.458 20 0 GEADLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@@H](N)c1cscn1)CC2 ZINC000646547770 651700814 /nfs/dbraw/zinc/70/08/14/651700814.db2.gz JQUKYRQPQPZNRV-ZFWWWQNUSA-N 1 2 377.539 2.113 20 0 GEADLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@@H](N)c1cscn1)CC2 ZINC000646547770 651700819 /nfs/dbraw/zinc/70/08/19/651700819.db2.gz JQUKYRQPQPZNRV-ZFWWWQNUSA-N 1 2 377.539 2.113 20 0 GEADLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@H](N)c1cscn1)CC2 ZINC000646547769 651700846 /nfs/dbraw/zinc/70/08/46/651700846.db2.gz JQUKYRQPQPZNRV-UKRRQHHQSA-N 1 2 377.539 2.113 20 0 GEADLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@H](N)c1cscn1)CC2 ZINC000646547769 651700860 /nfs/dbraw/zinc/70/08/60/651700860.db2.gz JQUKYRQPQPZNRV-UKRRQHHQSA-N 1 2 377.539 2.113 20 0 GEADLO CC[C@@H](C(=O)N[C@@H](CO)c1ccc(Br)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000646610910 651706191 /nfs/dbraw/zinc/70/61/91/651706191.db2.gz XEPYXYOFBLEGJW-IKGGRYGDSA-N 1 2 399.329 2.488 20 0 GEADLO CC[C@@H](C(=O)N[C@@H](CO)c1ccc(Br)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000646610910 651706193 /nfs/dbraw/zinc/70/61/93/651706193.db2.gz XEPYXYOFBLEGJW-IKGGRYGDSA-N 1 2 399.329 2.488 20 0 GEADLO COC(=O)[C@@H]1CC12CC[NH+](CN1C(=S)N=NC1Cc1cccs1)CC2 ZINC000733791867 651723856 /nfs/dbraw/zinc/72/38/56/651723856.db2.gz FWVKGVDICBKGBO-ZDUSSCGKSA-N 1 2 378.523 2.452 20 0 GEADLO COc1ncncc1C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647206798 651735904 /nfs/dbraw/zinc/73/59/04/651735904.db2.gz HHGPEECIJJQOQR-AWEZNQCLSA-N 1 2 377.242 2.143 20 0 GEADLO Cc1cc(NCCNS(=O)(=O)c2ccc(F)cc2Cl)nc(C2CC2)[nH+]1 ZINC000569990015 651738835 /nfs/dbraw/zinc/73/88/35/651738835.db2.gz REKINFOKTILPLT-UHFFFAOYSA-N 1 2 384.864 2.845 20 0 GEADLO C[C@@H](CC(=O)N1CCNC(=O)c2ccc(Br)cc21)n1cc[nH+]c1 ZINC000570166759 651751341 /nfs/dbraw/zinc/75/13/41/651751341.db2.gz WJNIOWIRCZNTPP-NSHDSACASA-N 1 2 377.242 2.373 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000648376289 651785640 /nfs/dbraw/zinc/78/56/40/651785640.db2.gz AEPNBISCSGGGNH-NSHDSACASA-N 1 2 393.285 2.244 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000648376289 651785643 /nfs/dbraw/zinc/78/56/43/651785643.db2.gz AEPNBISCSGGGNH-NSHDSACASA-N 1 2 393.285 2.244 20 0 GEADLO COCn1ccc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000613478390 651788064 /nfs/dbraw/zinc/78/80/64/651788064.db2.gz BYOOLGWKTDRMKP-UHFFFAOYSA-N 1 2 392.257 2.178 20 0 GEADLO Cc1nnc(CC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)s1 ZINC000613481918 651788616 /nfs/dbraw/zinc/78/86/16/651788616.db2.gz QUNQLRFSRYMCIO-UHFFFAOYSA-N 1 2 394.298 2.467 20 0 GEADLO C[C@@H]1CN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC[N@@H+]1CCO ZINC000613697500 651793052 /nfs/dbraw/zinc/79/30/52/651793052.db2.gz LBOHPMRXHMLELO-SSDOTTSWSA-N 1 2 399.182 2.144 20 0 GEADLO C[C@@H]1CN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC[N@H+]1CCO ZINC000613697500 651793056 /nfs/dbraw/zinc/79/30/56/651793056.db2.gz LBOHPMRXHMLELO-SSDOTTSWSA-N 1 2 399.182 2.144 20 0 GEADLO O=C(CCNS(=O)(=O)c1cccs1)Nc1ccccc1-n1cc[nH+]c1 ZINC000613707548 651794398 /nfs/dbraw/zinc/79/43/98/651794398.db2.gz SAWZKWIBHFISNI-UHFFFAOYSA-N 1 2 376.463 2.241 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCc3cccc(Br)c3C2)CCO1 ZINC000735754959 651794472 /nfs/dbraw/zinc/79/44/72/651794472.db2.gz JQBMFFRRWAQHEH-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCc3cccc(Br)c3C2)CCO1 ZINC000735754959 651794474 /nfs/dbraw/zinc/79/44/74/651794474.db2.gz JQBMFFRRWAQHEH-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@H](NC(=O)c1c2ccc(Br)cc2nn1C)[C@H](C)[NH+]1CCOCC1 ZINC000648771297 651801006 /nfs/dbraw/zinc/80/10/06/651801006.db2.gz MAVQKZNWCRHHIT-RYUDHWBXSA-N 1 2 395.301 2.175 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000613977025 651805968 /nfs/dbraw/zinc/80/59/68/651805968.db2.gz VVUCSPPBRFFOEJ-CHWSQXEVSA-N 1 2 384.299 2.369 20 0 GEADLO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000571208267 651817562 /nfs/dbraw/zinc/81/75/62/651817562.db2.gz MYYBBYMQIGDKSB-GHMZBOCLSA-N 1 2 383.499 2.191 20 0 GEADLO C[C@H]1CN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC[S@@](=O)C1 ZINC000571286381 651823253 /nfs/dbraw/zinc/82/32/53/651823253.db2.gz JTUNOEGMOVHLJW-ZJWNCGCPSA-N 1 2 380.901 2.436 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000614364954 651824298 /nfs/dbraw/zinc/82/42/98/651824298.db2.gz JAQXVVYODFFYMY-SWLSCSKDSA-N 1 2 392.253 2.239 20 0 GEADLO Cn1[nH]c([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nc1=N ZINC000649540614 651829906 /nfs/dbraw/zinc/82/99/06/651829906.db2.gz MICHQXXSSRMDMO-QMTHXVAHSA-N 1 2 386.283 2.111 20 0 GEADLO Cn1[nH]c([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nc1=N ZINC000649540614 651829911 /nfs/dbraw/zinc/82/99/11/651829911.db2.gz MICHQXXSSRMDMO-QMTHXVAHSA-N 1 2 386.283 2.111 20 0 GEADLO CC1(C)CN(CC[S@@](=O)c2cc(Cl)ccc2Cl)CC[N@@H+]1CCO ZINC000614920176 651845154 /nfs/dbraw/zinc/84/51/54/651845154.db2.gz GFJRXKRDNHJBBE-HSZRJFAPSA-N 1 2 379.353 2.490 20 0 GEADLO CC1(C)CN(CC[S@@](=O)c2cc(Cl)ccc2Cl)CC[N@H+]1CCO ZINC000614920176 651845156 /nfs/dbraw/zinc/84/51/56/651845156.db2.gz GFJRXKRDNHJBBE-HSZRJFAPSA-N 1 2 379.353 2.490 20 0 GEADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615127344 651850451 /nfs/dbraw/zinc/85/04/51/651850451.db2.gz QNUGOQVKYYZLSO-TZMCWYRMSA-N 1 2 391.269 2.283 20 0 GEADLO C[NH+](C)[C@H](C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Cl)cc1 ZINC000571772767 651853089 /nfs/dbraw/zinc/85/30/89/651853089.db2.gz LQFJJDJIMCRBRT-OLZOCXBDSA-N 1 2 377.794 2.222 20 0 GEADLO CO[C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1Br ZINC000615557430 651867753 /nfs/dbraw/zinc/86/77/53/651867753.db2.gz HUUFNSKBDQETJQ-PBHICJAKSA-N 1 2 397.313 2.460 20 0 GEADLO Cc1csc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1I ZINC000615770650 651875628 /nfs/dbraw/zinc/87/56/28/651875628.db2.gz JCCBFLZPZPBAGI-UWVGGRQHSA-N 1 2 394.278 2.110 20 0 GEADLO Cc1csc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1I ZINC000615770650 651875632 /nfs/dbraw/zinc/87/56/32/651875632.db2.gz JCCBFLZPZPBAGI-UWVGGRQHSA-N 1 2 394.278 2.110 20 0 GEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)CCCO1 ZINC000738160436 651882911 /nfs/dbraw/zinc/88/29/11/651882911.db2.gz JJGMFTMDZWLKEX-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)CCCO1 ZINC000738160436 651882916 /nfs/dbraw/zinc/88/29/16/651882916.db2.gz JJGMFTMDZWLKEX-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CCCO1 ZINC000738161027 651882925 /nfs/dbraw/zinc/88/29/25/651882925.db2.gz KYZIFBFVSMYEGN-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CCCO1 ZINC000738161027 651882929 /nfs/dbraw/zinc/88/29/29/651882929.db2.gz KYZIFBFVSMYEGN-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO CC[NH+](CC)[C@@H](CNS(=O)(=O)N1CCCOCC1)c1ccccc1Cl ZINC000651503201 651884153 /nfs/dbraw/zinc/88/41/53/651884153.db2.gz QFYXVFOZBUCVIX-KRWDZBQOSA-N 1 2 389.949 2.280 20 0 GEADLO O=C(NCc1cccc(Cl)c1Cl)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000572989966 651927484 /nfs/dbraw/zinc/92/74/84/651927484.db2.gz FKYIQFCUYPESES-ZDUSSCGKSA-N 1 2 381.263 2.497 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cc(C)sc2Br)CC1 ZINC000652999389 651930871 /nfs/dbraw/zinc/93/08/71/651930871.db2.gz XCMRYIVUZIIVRG-UHFFFAOYSA-N 1 2 391.331 2.240 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CCO1 ZINC000741085309 651934800 /nfs/dbraw/zinc/93/48/00/651934800.db2.gz ORDBAXCVNDWCLK-FZMZJTMJSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CCO1 ZINC000741085309 651934807 /nfs/dbraw/zinc/93/48/07/651934807.db2.gz ORDBAXCVNDWCLK-FZMZJTMJSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CCO1 ZINC000741085308 651934953 /nfs/dbraw/zinc/93/49/53/651934953.db2.gz ORDBAXCVNDWCLK-BXUZGUMPSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CCO1 ZINC000741085308 651934957 /nfs/dbraw/zinc/93/49/57/651934957.db2.gz ORDBAXCVNDWCLK-BXUZGUMPSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000741086697 651935522 /nfs/dbraw/zinc/93/55/22/651935522.db2.gz LENDHLAATNQIPA-BXUZGUMPSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000741086697 651935526 /nfs/dbraw/zinc/93/55/26/651935526.db2.gz LENDHLAATNQIPA-BXUZGUMPSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654427957 651961077 /nfs/dbraw/zinc/96/10/77/651961077.db2.gz IVSKFKVLPNBZGC-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654427957 651961085 /nfs/dbraw/zinc/96/10/85/651961085.db2.gz IVSKFKVLPNBZGC-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO CO[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccccc1Br ZINC000617721330 651966408 /nfs/dbraw/zinc/96/64/08/651966408.db2.gz NXUSCMPSEZGYLP-IOASZLSFSA-N 1 2 385.302 2.362 20 0 GEADLO CO[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccccc1Br ZINC000617721330 651966413 /nfs/dbraw/zinc/96/64/13/651966413.db2.gz NXUSCMPSEZGYLP-IOASZLSFSA-N 1 2 385.302 2.362 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cc3[nH]cnc32)[C@H](C)CO1 ZINC000617723329 651967070 /nfs/dbraw/zinc/96/70/70/651967070.db2.gz LQNOFBFUUHGASZ-GHMZBOCLSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc3[nH]cnc32)[C@H](C)CO1 ZINC000617723329 651967077 /nfs/dbraw/zinc/96/70/77/651967077.db2.gz LQNOFBFUUHGASZ-GHMZBOCLSA-N 1 2 381.274 2.164 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617723991 651967112 /nfs/dbraw/zinc/96/71/12/651967112.db2.gz UKMNMZJBFNKBTR-VHSXEESVSA-N 1 2 382.814 2.089 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617723991 651967115 /nfs/dbraw/zinc/96/71/15/651967115.db2.gz UKMNMZJBFNKBTR-VHSXEESVSA-N 1 2 382.814 2.089 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)C2(c3cncc(Br)c3)CC2)[C@H](C)CO1 ZINC000617722691 651967294 /nfs/dbraw/zinc/96/72/94/651967294.db2.gz CUHMYZNKEVLEOF-CHWSQXEVSA-N 1 2 382.302 2.101 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)C2(c3cncc(Br)c3)CC2)[C@H](C)CO1 ZINC000617722691 651967300 /nfs/dbraw/zinc/96/73/00/651967300.db2.gz CUHMYZNKEVLEOF-CHWSQXEVSA-N 1 2 382.302 2.101 20 0 GEADLO C[C@H](CC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)NC(N)=O ZINC000654975007 651968620 /nfs/dbraw/zinc/96/86/20/651968620.db2.gz JIILZESFGNGDFK-GFCCVEGCSA-N 1 2 387.311 2.127 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)COc2ccc(F)cc2Br)[C@@H](C)CO1 ZINC000617743747 651969756 /nfs/dbraw/zinc/96/97/56/651969756.db2.gz NJJTXYKSVMDFCW-RYUDHWBXSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)COc2ccc(F)cc2Br)[C@@H](C)CO1 ZINC000617743747 651969761 /nfs/dbraw/zinc/96/97/61/651969761.db2.gz NJJTXYKSVMDFCW-RYUDHWBXSA-N 1 2 389.265 2.192 20 0 GEADLO Cc1[nH]c(=O)[nH]c1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000654998760 651970157 /nfs/dbraw/zinc/97/01/57/651970157.db2.gz UNIBAWDFKWTVFH-UHFFFAOYSA-N 1 2 378.230 2.115 20 0 GEADLO Cc1csc(-c2ccc(S(=O)(=O)NCC[N@@H+]3CCCOCC3)cc2)n1 ZINC000655563987 651990551 /nfs/dbraw/zinc/99/05/51/651990551.db2.gz JEULIHRMOQAQKF-UHFFFAOYSA-N 1 2 381.523 2.119 20 0 GEADLO Cc1csc(-c2ccc(S(=O)(=O)NCC[N@H+]3CCCOCC3)cc2)n1 ZINC000655563987 651990559 /nfs/dbraw/zinc/99/05/59/651990559.db2.gz JEULIHRMOQAQKF-UHFFFAOYSA-N 1 2 381.523 2.119 20 0 GEADLO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC1SC(=N)NC1=O ZINC000742605177 651994076 /nfs/dbraw/zinc/99/40/76/651994076.db2.gz QCRHDBBXHJRSOI-AWEZNQCLSA-N 1 2 378.523 2.039 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)s1 ZINC000618454795 652017769 /nfs/dbraw/zinc/01/77/69/652017769.db2.gz WEBDQUALOPIFAF-YPMHNXCESA-N 1 2 385.511 2.119 20 0 GEADLO CCC(CC)(CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)SC ZINC000743557229 652022773 /nfs/dbraw/zinc/02/27/73/652022773.db2.gz OMBNOFZBIRMRGU-INIZCTEOSA-N 1 2 375.604 2.415 20 0 GEADLO CN(Cc1cn(C)nn1)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000618804974 652032179 /nfs/dbraw/zinc/03/21/79/652032179.db2.gz RWEJHRMMPDDJQN-INIZCTEOSA-N 1 2 392.301 2.373 20 0 GEADLO C[C@]([NH3+])(C(=O)N1CCC(c2n[nH]c(=O)o2)CC1)c1ccc(Br)cc1 ZINC000574636307 652032812 /nfs/dbraw/zinc/03/28/12/652032812.db2.gz WLQCCXFOSGVWAI-MRXNPFEDSA-N 1 2 395.257 2.118 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1nc(C(F)(F)F)co1 ZINC000656663560 652045075 /nfs/dbraw/zinc/04/50/75/652045075.db2.gz STKVHSUFSKBHKW-CYBMUJFWSA-N 1 2 380.392 2.023 20 0 GEADLO NC(=O)c1csc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)n1 ZINC000656715381 652048104 /nfs/dbraw/zinc/04/81/04/652048104.db2.gz SYUBTEXQNBTCJQ-SECBINFHSA-N 1 2 376.265 2.078 20 0 GEADLO CO[C@H](CS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCOC1 ZINC000656728150 652051085 /nfs/dbraw/zinc/05/10/85/652051085.db2.gz KVPQJLJYBOIQSY-MLGOLLRUSA-N 1 2 385.873 2.319 20 0 GEADLO Cc1nc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)ccc1I ZINC000619619904 652069770 /nfs/dbraw/zinc/06/97/70/652069770.db2.gz IYSIDQSYADSUKR-JTQLQIEISA-N 1 2 382.205 2.392 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000575978999 652088552 /nfs/dbraw/zinc/08/85/52/652088552.db2.gz RBNWBBZYHOKCTI-UHFFFAOYSA-N 1 2 394.273 2.330 20 0 GEADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746465616 652108344 /nfs/dbraw/zinc/10/83/44/652108344.db2.gz YQSDLWHJAWTTPK-MCFWBGNESA-N 1 2 392.352 2.317 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746475313 652109656 /nfs/dbraw/zinc/10/96/56/652109656.db2.gz QWFADJZLZWNFLY-FNODVLLQSA-N 1 2 392.352 2.317 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746472377 652109790 /nfs/dbraw/zinc/10/97/90/652109790.db2.gz FDXPOYOAQHJLHB-OIRASMEMSA-N 1 2 392.352 2.317 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746475315 652109860 /nfs/dbraw/zinc/10/98/60/652109860.db2.gz QWFADJZLZWNFLY-OIRASMEMSA-N 1 2 392.352 2.317 20 0 GEADLO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621356867 652151454 /nfs/dbraw/zinc/15/14/54/652151454.db2.gz ZXKCZJVGYOETEI-AWEZNQCLSA-N 1 2 378.416 2.045 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)/C=C/c2ccccc2Cl)CC1 ZINC000747282886 652155458 /nfs/dbraw/zinc/15/54/58/652155458.db2.gz RIQYGWGDVQFLTJ-WEKMIXOTSA-N 1 2 386.901 2.210 20 0 GEADLO CCCOc1ccc(Br)cc1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1OC ZINC000657603444 652178900 /nfs/dbraw/zinc/17/89/00/652178900.db2.gz MQOQPDAWZQMIPJ-DZGCQCFKSA-N 1 2 392.315 2.140 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000577458575 652188638 /nfs/dbraw/zinc/18/86/38/652188638.db2.gz LOSRROYLCIZNGS-KRWDZBQOSA-N 1 2 379.551 2.442 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000577458575 652188642 /nfs/dbraw/zinc/18/86/42/652188642.db2.gz LOSRROYLCIZNGS-KRWDZBQOSA-N 1 2 379.551 2.442 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000577458576 652188777 /nfs/dbraw/zinc/18/87/77/652188777.db2.gz LOSRROYLCIZNGS-QGZVFWFLSA-N 1 2 379.551 2.442 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000577458576 652188789 /nfs/dbraw/zinc/18/87/89/652188789.db2.gz LOSRROYLCIZNGS-QGZVFWFLSA-N 1 2 379.551 2.442 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1(S(=O)(=O)CC)CC1 ZINC000657758819 652201623 /nfs/dbraw/zinc/20/16/23/652201623.db2.gz JNXWIFMVCDUZFB-UHFFFAOYSA-N 1 2 379.931 2.191 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000748456384 652203564 /nfs/dbraw/zinc/20/35/64/652203564.db2.gz AXNWWKQIISOTMT-ZDUSSCGKSA-N 1 2 396.241 2.263 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000748456384 652203580 /nfs/dbraw/zinc/20/35/80/652203580.db2.gz AXNWWKQIISOTMT-ZDUSSCGKSA-N 1 2 396.241 2.263 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000748463363 652204422 /nfs/dbraw/zinc/20/44/22/652204422.db2.gz ZWMPFAFJKLCVFC-SMDDNHRTSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000748463363 652204427 /nfs/dbraw/zinc/20/44/27/652204427.db2.gz ZWMPFAFJKLCVFC-SMDDNHRTSA-N 1 2 385.258 2.040 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCCn2cc[nH+]c2)s1 ZINC000623250188 652228700 /nfs/dbraw/zinc/22/87/00/652228700.db2.gz GJRPFBUCHYIJFH-UHFFFAOYSA-N 1 2 384.527 2.072 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000623268873 652229984 /nfs/dbraw/zinc/22/99/84/652229984.db2.gz YSGNFGIDIQKMRC-OAHLLOKOSA-N 1 2 390.281 2.435 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000623270590 652230030 /nfs/dbraw/zinc/23/00/30/652230030.db2.gz JSEFAEKSONUBGL-ZWNOBZJWSA-N 1 2 379.247 2.284 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1c(F)ccc(F)c1Cl)NC[C@H]1CCCCO1 ZINC000623413888 652235568 /nfs/dbraw/zinc/23/55/68/652235568.db2.gz LGAZXWIRVLATNE-LLVKDONJSA-N 1 2 382.860 2.196 20 0 GEADLO COCc1n[nH]c(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)n1 ZINC000658159081 652240606 /nfs/dbraw/zinc/24/06/06/652240606.db2.gz NHMHOOKPEIEAFI-JTQLQIEISA-N 1 2 382.262 2.221 20 0 GEADLO CC(C)n1cnc(S(=O)(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000578143340 652247527 /nfs/dbraw/zinc/24/75/27/652247527.db2.gz LILNMOCGPHDDOB-UHFFFAOYSA-N 1 2 383.543 2.247 20 0 GEADLO CSCCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000578159392 652248680 /nfs/dbraw/zinc/24/86/80/652248680.db2.gz DASOXWXSUMQCOB-HOTGVXAUSA-N 1 2 383.945 2.413 20 0 GEADLO CSCCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000578159392 652248708 /nfs/dbraw/zinc/24/87/08/652248708.db2.gz DASOXWXSUMQCOB-HOTGVXAUSA-N 1 2 383.945 2.413 20 0 GEADLO Cc1cc(NC(=O)C[NH+]2CCC(N3CN=NC3=O)CC2)ccc1Br ZINC000578210839 652252951 /nfs/dbraw/zinc/25/29/51/652252951.db2.gz ATAADXPVSNDMSM-UHFFFAOYSA-N 1 2 394.273 2.330 20 0 GEADLO C[C@@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1nccn1C ZINC000658338820 652254205 /nfs/dbraw/zinc/25/42/05/652254205.db2.gz MGOIOWQLRZHMEG-NXEZZACHSA-N 1 2 387.303 2.242 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000658380219 652261155 /nfs/dbraw/zinc/26/11/55/652261155.db2.gz JDXWSKDKPPDEOW-GFCCVEGCSA-N 1 2 385.686 2.425 20 0 GEADLO COCc1cc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)ncn1 ZINC000578987533 652309091 /nfs/dbraw/zinc/30/90/91/652309091.db2.gz FJGBYCZMIXGLNQ-UHFFFAOYSA-N 1 2 376.258 2.996 20 0 GEADLO CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000625190091 652329842 /nfs/dbraw/zinc/32/98/42/652329842.db2.gz TVXSXMYXRMJHKE-HNNXBMFYSA-N 1 2 382.517 2.432 20 0 GEADLO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000625258529 652335576 /nfs/dbraw/zinc/33/55/76/652335576.db2.gz DXSBBWRQTJKTOA-OAHLLOKOSA-N 1 2 379.810 2.431 20 0 GEADLO COc1c(N)[nH+]cnc1NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000579731652 652351369 /nfs/dbraw/zinc/35/13/69/652351369.db2.gz NSUQPEAQIHZUJZ-NSHDSACASA-N 1 2 378.274 2.768 20 0 GEADLO COc1c(N)nc[nH+]c1NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000579731652 652351373 /nfs/dbraw/zinc/35/13/73/652351373.db2.gz NSUQPEAQIHZUJZ-NSHDSACASA-N 1 2 378.274 2.768 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000579957288 652361626 /nfs/dbraw/zinc/36/16/26/652361626.db2.gz JQJVLJAFJGNCFO-JTQLQIEISA-N 1 2 391.715 2.486 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccccc1Br ZINC000580177766 652368924 /nfs/dbraw/zinc/36/89/24/652368924.db2.gz MYPFSAHERXATSO-HOCLYGCPSA-N 1 2 396.329 2.496 20 0 GEADLO CO[C@@H]1CC[N@H+](CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000751941273 652372662 /nfs/dbraw/zinc/37/26/62/652372662.db2.gz MIGRDHCWFCFNDT-RHSMWYFYSA-N 1 2 381.270 2.144 20 0 GEADLO CO[C@@H]1CC[N@@H+](CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000751941273 652372666 /nfs/dbraw/zinc/37/26/66/652372666.db2.gz MIGRDHCWFCFNDT-RHSMWYFYSA-N 1 2 381.270 2.144 20 0 GEADLO COc1c(N)[nH+]cnc1NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000580345880 652376766 /nfs/dbraw/zinc/37/67/66/652376766.db2.gz UZPSNAFCDGKFJW-NSHDSACASA-N 1 2 378.274 2.768 20 0 GEADLO COc1c(N)nc[nH+]c1NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000580345880 652376768 /nfs/dbraw/zinc/37/67/68/652376768.db2.gz UZPSNAFCDGKFJW-NSHDSACASA-N 1 2 378.274 2.768 20 0 GEADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000660041637 652377255 /nfs/dbraw/zinc/37/72/55/652377255.db2.gz JTRHTJPFYCRUOP-GOEBONIOSA-N 1 2 384.885 2.473 20 0 GEADLO O=S(=O)(C[C@@H](O)C[NH2+]Cc1occc1Br)c1cccs1 ZINC000752099948 652378907 /nfs/dbraw/zinc/37/89/07/652378907.db2.gz FSXHLMIIUCYCNR-VIFPVBQESA-N 1 2 380.285 2.028 20 0 GEADLO NS(=O)(=O)c1cc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)co1 ZINC000626101686 652382551 /nfs/dbraw/zinc/38/25/51/652382551.db2.gz AJYCQKGLPVQRHC-ZDUSSCGKSA-N 1 2 379.265 2.447 20 0 GEADLO O=C(c1csc(C(F)(F)F)c1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000626105318 652382609 /nfs/dbraw/zinc/38/26/09/652382609.db2.gz BOTLJLKZCSODPC-CYBMUJFWSA-N 1 2 378.416 2.330 20 0 GEADLO Cc1ccsc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000660124909 652388476 /nfs/dbraw/zinc/38/84/76/652388476.db2.gz VLWLJQKRNKQXMR-KRWDZBQOSA-N 1 2 379.551 2.151 20 0 GEADLO Cc1ccsc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000660124909 652388480 /nfs/dbraw/zinc/38/84/80/652388480.db2.gz VLWLJQKRNKQXMR-KRWDZBQOSA-N 1 2 379.551 2.151 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000660345965 652399133 /nfs/dbraw/zinc/39/91/33/652399133.db2.gz QEEZSEAVNAWNMI-RISCZKNCSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000660347410 652399155 /nfs/dbraw/zinc/39/91/55/652399155.db2.gz XVHJHVCFGIWIEJ-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO CC(C)NS(=O)(=O)N1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000660485060 652403927 /nfs/dbraw/zinc/40/39/27/652403927.db2.gz AVAZPRRTSCUMCP-UHFFFAOYSA-N 1 2 377.963 2.293 20 0 GEADLO Cc1onc(N)c1S(=O)(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000581159584 652404131 /nfs/dbraw/zinc/40/41/31/652404131.db2.gz OGXCYQCZDLOEHJ-AWEZNQCLSA-N 1 2 384.889 2.334 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)Cc1ccc(I)cc1 ZINC000753456510 652408446 /nfs/dbraw/zinc/40/84/46/652408446.db2.gz GXFKWKQFWCZIAF-GFCCVEGCSA-N 1 2 389.233 2.098 20 0 GEADLO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(c2ncns2)CC1 ZINC000660713793 652411905 /nfs/dbraw/zinc/41/19/05/652411905.db2.gz ONUQQDKAQQIBQU-LLVKDONJSA-N 1 2 389.308 2.407 20 0 GEADLO COc1cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1Br ZINC000627155316 652416171 /nfs/dbraw/zinc/41/61/71/652416171.db2.gz SCYJRMKGRHXIKC-JSGCOSHPSA-N 1 2 383.286 2.393 20 0 GEADLO Cc1ccc(Br)cc1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661052398 652417857 /nfs/dbraw/zinc/41/78/57/652417857.db2.gz VICGNAWZBWAJDO-INIZCTEOSA-N 1 2 382.302 2.374 20 0 GEADLO C[C@@H]1C[N@@H+](CCn2c(=O)onc2-c2cccc(Br)c2)C[C@H](C)O1 ZINC000581618857 652419171 /nfs/dbraw/zinc/41/91/71/652419171.db2.gz RBHYOOPTCLPILT-TXEJJXNPSA-N 1 2 382.258 2.375 20 0 GEADLO C[C@@H]1C[N@H+](CCn2c(=O)onc2-c2cccc(Br)c2)C[C@H](C)O1 ZINC000581618857 652419174 /nfs/dbraw/zinc/41/91/74/652419174.db2.gz RBHYOOPTCLPILT-TXEJJXNPSA-N 1 2 382.258 2.375 20 0 GEADLO CC(C)NC(=O)CNC(=S)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754691670 652442845 /nfs/dbraw/zinc/44/28/45/652442845.db2.gz ISTQJEYWXJCLRQ-GOEBONIOSA-N 1 2 386.924 2.213 20 0 GEADLO CC(C)NC(=O)CNC(=S)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754691670 652442847 /nfs/dbraw/zinc/44/28/47/652442847.db2.gz ISTQJEYWXJCLRQ-GOEBONIOSA-N 1 2 386.924 2.213 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662012245 652445052 /nfs/dbraw/zinc/44/50/52/652445052.db2.gz DVAPMYJXZCOLCO-WFASDCNBSA-N 1 2 397.317 2.464 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662012245 652445054 /nfs/dbraw/zinc/44/50/54/652445054.db2.gz DVAPMYJXZCOLCO-WFASDCNBSA-N 1 2 397.317 2.464 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+][C@H](CO)c3cccc(Cl)c3Cl)C2=O)n(C)n1 ZINC000662052961 652446707 /nfs/dbraw/zinc/44/67/07/652446707.db2.gz VUERSNSIHGMEPO-UONOGXRCSA-N 1 2 383.279 2.464 20 0 GEADLO CSCC[C@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)N(C)C ZINC000582352577 652447346 /nfs/dbraw/zinc/44/73/46/652447346.db2.gz MYQWHERUBQYFLZ-AWEZNQCLSA-N 1 2 385.896 2.359 20 0 GEADLO O[C@@H](COC[C@H]1CCCO1)C[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000662200438 652451683 /nfs/dbraw/zinc/45/16/83/652451683.db2.gz BCNWBVJEYOZGAB-HZPDHXFCSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@@H](COC[C@H]1CCCO1)C[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000662200438 652451686 /nfs/dbraw/zinc/45/16/86/652451686.db2.gz BCNWBVJEYOZGAB-HZPDHXFCSA-N 1 2 386.286 2.200 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628235500 652455826 /nfs/dbraw/zinc/45/58/26/652455826.db2.gz PVGDKOLIAYTJPX-LBPRGKRZSA-N 1 2 384.395 2.280 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628235500 652455828 /nfs/dbraw/zinc/45/58/28/652455828.db2.gz PVGDKOLIAYTJPX-LBPRGKRZSA-N 1 2 384.395 2.280 20 0 GEADLO O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000662539125 652466841 /nfs/dbraw/zinc/46/68/41/652466841.db2.gz PIJKCRVYPMGMLI-ZETCQYMHSA-N 1 2 399.270 2.222 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCSC2)[C@@H]1c1ccc(Cl)cc1 ZINC000582926273 652467452 /nfs/dbraw/zinc/46/74/52/652467452.db2.gz JJKRSHLJMJEOCG-KCXAZCMYSA-N 1 2 381.929 2.071 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCSC2)[C@@H]1c1ccc(Cl)cc1 ZINC000582926273 652467455 /nfs/dbraw/zinc/46/74/55/652467455.db2.gz JJKRSHLJMJEOCG-KCXAZCMYSA-N 1 2 381.929 2.071 20 0 GEADLO CN(C)c1cc(COC(=O)c2nccn3c(Br)cnc23)cc[nH+]1 ZINC000755887081 652479851 /nfs/dbraw/zinc/47/98/51/652479851.db2.gz MUMTUPYNJNTWJH-UHFFFAOYSA-N 1 2 376.214 2.310 20 0 GEADLO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCCn2cc[nH+]c2)cc1 ZINC000756086488 652487264 /nfs/dbraw/zinc/48/72/64/652487264.db2.gz JRJOOWYLHBWNQI-AWEZNQCLSA-N 1 2 376.258 2.295 20 0 GEADLO CNS(=O)(=O)c1ccc(CNc2nc(C)[nH+]c(C)c2Br)s1 ZINC000663366089 652495474 /nfs/dbraw/zinc/49/54/74/652495474.db2.gz GZWDYERJTQUMOC-UHFFFAOYSA-N 1 2 391.316 2.438 20 0 GEADLO O=C(N1CC[NH+](CCCOCC(F)(F)F)CC1)C(F)(F)c1nccs1 ZINC000756472940 652499035 /nfs/dbraw/zinc/49/90/35/652499035.db2.gz OUBLVRXWQHGIMI-UHFFFAOYSA-N 1 2 387.374 2.348 20 0 GEADLO Cc1c(NC[C@@](C)(O)C(F)(F)F)nc[nH+]c1NC[C@](C)(O)C(F)(F)F ZINC000663753470 652510632 /nfs/dbraw/zinc/51/06/32/652510632.db2.gz JVKODANPKIQNEH-PHIMTYICSA-N 1 2 376.301 2.235 20 0 GEADLO Cc1c(NC[C@](C)(O)C(F)(F)F)nc[nH+]c1NC[C@@](C)(O)C(F)(F)F ZINC000663753470 652510637 /nfs/dbraw/zinc/51/06/37/652510637.db2.gz JVKODANPKIQNEH-PHIMTYICSA-N 1 2 376.301 2.235 20 0 GEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cncc(Br)c1 ZINC000757163507 652514090 /nfs/dbraw/zinc/51/40/90/652514090.db2.gz KLFKJMIPYDDUTF-CYBMUJFWSA-N 1 2 394.273 2.210 20 0 GEADLO OCCO[C@@]1(CNc2cc[nH+]c3c(Br)ccc(F)c23)CCOC1 ZINC000664237693 652523587 /nfs/dbraw/zinc/52/35/87/652523587.db2.gz BOHRWLQCWJLUES-MRXNPFEDSA-N 1 2 385.233 2.138 20 0 GEADLO CCOCCNC(=S)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000757941044 652526186 /nfs/dbraw/zinc/52/61/86/652526186.db2.gz QVSKAKXDQDDWHK-UHFFFAOYSA-N 1 2 385.331 2.448 20 0 GEADLO CCS(=O)(=O)C1(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000664433749 652526959 /nfs/dbraw/zinc/52/69/59/652526959.db2.gz MALXWQLGQQMZRY-UHFFFAOYSA-N 1 2 386.543 2.218 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2ccc(O)c(Br)c2)[C@@H](C)CO1 ZINC000664471408 652528807 /nfs/dbraw/zinc/52/88/07/652528807.db2.gz QVCCQIYLHLYQMP-RYUDHWBXSA-N 1 2 386.290 2.063 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(O)c(Br)c2)[C@@H](C)CO1 ZINC000664471408 652528810 /nfs/dbraw/zinc/52/88/10/652528810.db2.gz QVCCQIYLHLYQMP-RYUDHWBXSA-N 1 2 386.290 2.063 20 0 GEADLO Cc1cccn2cc(CC(=O)NCCCn3cc(Br)cn3)[nH+]c12 ZINC000584801284 652529991 /nfs/dbraw/zinc/52/99/91/652529991.db2.gz MTLZXBRLPWDFJX-UHFFFAOYSA-N 1 2 376.258 2.351 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000758302391 652536475 /nfs/dbraw/zinc/53/64/75/652536475.db2.gz ONWHOPZLUXXIIH-ZDUSSCGKSA-N 1 2 387.860 2.412 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000758338848 652537960 /nfs/dbraw/zinc/53/79/60/652537960.db2.gz SOLYYKZNKIDYKE-MLGOLLRUSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(Br)cn1 ZINC000664791331 652539197 /nfs/dbraw/zinc/53/91/97/652539197.db2.gz GGYVPTNDKJHAJT-YNEHKIRRSA-N 1 2 385.306 2.314 20 0 GEADLO C[C@@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(Br)cn1 ZINC000664791331 652539200 /nfs/dbraw/zinc/53/92/00/652539200.db2.gz GGYVPTNDKJHAJT-YNEHKIRRSA-N 1 2 385.306 2.314 20 0 GEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(F)ccc1I ZINC000587056587 652544264 /nfs/dbraw/zinc/54/42/64/652544264.db2.gz JPJCXOPJLZHGKX-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO COc1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c(I)c1 ZINC000587056584 652544319 /nfs/dbraw/zinc/54/43/19/652544319.db2.gz JMQOANTUMDEIPP-SNVBAGLBSA-N 1 2 397.216 2.241 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000588278357 652551392 /nfs/dbraw/zinc/55/13/92/652551392.db2.gz XDTKIHDVKDSAFN-WQVCFCJDSA-N 1 2 382.302 2.325 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cn(C)c(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000759106585 652563170 /nfs/dbraw/zinc/56/31/70/652563170.db2.gz UAQBNHWTWBLDSH-OAHLLOKOSA-N 1 2 382.917 2.359 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cn(C)c(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000759106585 652563171 /nfs/dbraw/zinc/56/31/71/652563171.db2.gz UAQBNHWTWBLDSH-OAHLLOKOSA-N 1 2 382.917 2.359 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000759122362 652563936 /nfs/dbraw/zinc/56/39/36/652563936.db2.gz AROVWTUBMTYNSD-IUODEOHRSA-N 1 2 381.325 2.431 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000759122362 652563938 /nfs/dbraw/zinc/56/39/38/652563938.db2.gz AROVWTUBMTYNSD-IUODEOHRSA-N 1 2 381.325 2.431 20 0 GEADLO CO[C@@H](C)CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000666218093 652569257 /nfs/dbraw/zinc/56/92/57/652569257.db2.gz VPDRLIDTNOUAMH-LBPRGKRZSA-N 1 2 385.262 2.485 20 0 GEADLO COc1cc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000666249656 652569803 /nfs/dbraw/zinc/56/98/03/652569803.db2.gz GHFWRUJNUAROBL-ZDUSSCGKSA-N 1 2 384.274 2.396 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)cc(C)c2C)CC1 ZINC000666268192 652570457 /nfs/dbraw/zinc/57/04/57/652570457.db2.gz DQQWCHXVWIMENM-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)cc(C)c2C)CC1 ZINC000666268192 652570461 /nfs/dbraw/zinc/57/04/61/652570461.db2.gz DQQWCHXVWIMENM-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO COC1(CS(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCCC1 ZINC000632681060 652574589 /nfs/dbraw/zinc/57/45/89/652574589.db2.gz ZOLPIDOGRLBCAV-UHFFFAOYSA-N 1 2 385.555 2.013 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1c(Cl)cccc1Br ZINC000666429879 652576900 /nfs/dbraw/zinc/57/69/00/652576900.db2.gz QAGMHQSCLMUMRX-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2cncc(Br)c2n1 ZINC000632792259 652580071 /nfs/dbraw/zinc/58/00/71/652580071.db2.gz KICWNCWYVGUNRK-GFCCVEGCSA-N 1 2 393.285 2.185 20 0 GEADLO C[C@]1(c2ccc(Br)cc2)CC(=O)N(C[NH+]2CCC(C)(O)CC2)C1=O ZINC000759748793 652585270 /nfs/dbraw/zinc/58/52/70/652585270.db2.gz YNPHVQXQZCHWQU-GOSISDBHSA-N 1 2 395.297 2.270 20 0 GEADLO Cc1csc([C@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C(F)(F)F)n1 ZINC000667159759 652594460 /nfs/dbraw/zinc/59/44/60/652594460.db2.gz IIVDGGRMQDAERM-NEPJUHHUSA-N 1 2 378.420 2.171 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000592533545 652598942 /nfs/dbraw/zinc/59/89/42/652598942.db2.gz SYWSVRLWTVOPGO-OCCSQVGLSA-N 1 2 394.269 2.195 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000592533545 652598947 /nfs/dbraw/zinc/59/89/47/652598947.db2.gz SYWSVRLWTVOPGO-OCCSQVGLSA-N 1 2 394.269 2.195 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000592533546 652599069 /nfs/dbraw/zinc/59/90/69/652599069.db2.gz SYWSVRLWTVOPGO-TZMCWYRMSA-N 1 2 394.269 2.195 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000592533546 652599075 /nfs/dbraw/zinc/59/90/75/652599075.db2.gz SYWSVRLWTVOPGO-TZMCWYRMSA-N 1 2 394.269 2.195 20 0 GEADLO CN(C)C(=O)CN1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667483678 652607302 /nfs/dbraw/zinc/60/73/02/652607302.db2.gz OFBVRODFEQERMS-UHFFFAOYSA-N 1 2 380.286 2.401 20 0 GEADLO O=C(CNC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Br)c(F)c1 ZINC000633710397 652608411 /nfs/dbraw/zinc/60/84/11/652608411.db2.gz BFRSJAKRQSUTAF-NSHDSACASA-N 1 2 380.217 2.346 20 0 GEADLO O=C(Nc1cc(I)ccc1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000592946639 652609779 /nfs/dbraw/zinc/60/97/79/652609779.db2.gz UJRUWOBCHLWKEW-SECBINFHSA-N 1 2 383.189 2.394 20 0 GEADLO O=C(Nc1cc(I)ccc1O)[C@H]1CCc2c[nH+]cn2C1 ZINC000592946640 652609853 /nfs/dbraw/zinc/60/98/53/652609853.db2.gz UJRUWOBCHLWKEW-VIFPVBQESA-N 1 2 383.189 2.394 20 0 GEADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000593019705 652612067 /nfs/dbraw/zinc/61/20/67/652612067.db2.gz JBTCCMUYUNYJPV-ZDUSSCGKSA-N 1 2 388.917 2.399 20 0 GEADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000593019705 652612069 /nfs/dbraw/zinc/61/20/69/652612069.db2.gz JBTCCMUYUNYJPV-ZDUSSCGKSA-N 1 2 388.917 2.399 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000667561525 652613197 /nfs/dbraw/zinc/61/31/97/652613197.db2.gz ZPEPZJXJOIVNBB-JTQLQIEISA-N 1 2 376.404 2.279 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000667561525 652613200 /nfs/dbraw/zinc/61/32/00/652613200.db2.gz ZPEPZJXJOIVNBB-JTQLQIEISA-N 1 2 376.404 2.279 20 0 GEADLO C[N@H+](C[C@H]1CCCO1)Cn1c2ccc(I)cc2oc1=O ZINC000760548311 652613995 /nfs/dbraw/zinc/61/39/95/652613995.db2.gz FAWPFTVTGZPEBU-LLVKDONJSA-N 1 2 388.205 2.267 20 0 GEADLO C[N@@H+](C[C@H]1CCCO1)Cn1c2ccc(I)cc2oc1=O ZINC000760548311 652613999 /nfs/dbraw/zinc/61/39/99/652613999.db2.gz FAWPFTVTGZPEBU-LLVKDONJSA-N 1 2 388.205 2.267 20 0 GEADLO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633897246 652619279 /nfs/dbraw/zinc/61/92/79/652619279.db2.gz ULSUFFYFWXSHPY-UHFFFAOYSA-N 1 2 392.253 2.213 20 0 GEADLO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2c(F)cncc2Br)C1 ZINC000668011472 652624991 /nfs/dbraw/zinc/62/49/91/652624991.db2.gz CBULCOVYFXPDMY-QMMMGPOBSA-N 1 2 384.171 2.484 20 0 GEADLO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2c(F)cncc2Br)C1 ZINC000668011472 652624996 /nfs/dbraw/zinc/62/49/96/652624996.db2.gz CBULCOVYFXPDMY-QMMMGPOBSA-N 1 2 384.171 2.484 20 0 GEADLO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3csc(S(C)(=O)=O)c3)C2)c1 ZINC000634273819 652635996 /nfs/dbraw/zinc/63/59/96/652635996.db2.gz JUEAQYIFRASAMB-MRXNPFEDSA-N 1 2 378.519 2.464 20 0 GEADLO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3csc(S(C)(=O)=O)c3)C2)c1 ZINC000634273819 652636008 /nfs/dbraw/zinc/63/60/08/652636008.db2.gz JUEAQYIFRASAMB-MRXNPFEDSA-N 1 2 378.519 2.464 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cs1 ZINC000634303080 652637276 /nfs/dbraw/zinc/63/72/76/652637276.db2.gz FYKHAIYTQOKUAE-UHFFFAOYSA-N 1 2 397.547 2.030 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CC1 ZINC000668359708 652640130 /nfs/dbraw/zinc/64/01/30/652640130.db2.gz BUIWYNGEBWUBSF-GFCCVEGCSA-N 1 2 394.269 2.243 20 0 GEADLO O=C(c1cc2c(c(Br)c1)OCO2)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594178248 652642351 /nfs/dbraw/zinc/64/23/51/652642351.db2.gz AGLOJCHKTDTKGC-UHFFFAOYSA-N 1 2 377.194 2.476 20 0 GEADLO O[C@H](C[N@@H+]1CCc2c(F)cc(Br)cc2C1)CC1(O)CCOCC1 ZINC000634645249 652646503 /nfs/dbraw/zinc/64/65/03/652646503.db2.gz JZZXERLAIUROEE-AWEZNQCLSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@H](C[N@H+]1CCc2c(F)cc(Br)cc2C1)CC1(O)CCOCC1 ZINC000634645249 652646504 /nfs/dbraw/zinc/64/65/04/652646504.db2.gz JZZXERLAIUROEE-AWEZNQCLSA-N 1 2 388.277 2.239 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000668687553 652659877 /nfs/dbraw/zinc/65/98/77/652659877.db2.gz DIQKPYMSEQBYDE-AWEZNQCLSA-N 1 2 380.290 2.285 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000668687553 652659887 /nfs/dbraw/zinc/65/98/87/652659887.db2.gz DIQKPYMSEQBYDE-AWEZNQCLSA-N 1 2 380.290 2.285 20 0 GEADLO COc1ccc(CCC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)c(Br)c1 ZINC000668696604 652661087 /nfs/dbraw/zinc/66/10/87/652661087.db2.gz RUEJIVLYTKHRAH-AWEZNQCLSA-N 1 2 398.345 2.142 20 0 GEADLO O=S1(=O)CC[C@@H](SCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000762076884 652671023 /nfs/dbraw/zinc/67/10/23/652671023.db2.gz PEAPSAKWHVHCRK-CQSZACIVSA-N 1 2 376.463 2.343 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+]1CCc2nnc(N3CCCC3)cc2C1 ZINC000668876375 652672160 /nfs/dbraw/zinc/67/21/60/652672160.db2.gz YTEDPZSROOVBGU-UHFFFAOYSA-N 1 2 377.290 2.131 20 0 GEADLO Cn1ncc(Br)c1C[N@H+]1CCc2nnc(N3CCCC3)cc2C1 ZINC000668876375 652672166 /nfs/dbraw/zinc/67/21/66/652672166.db2.gz YTEDPZSROOVBGU-UHFFFAOYSA-N 1 2 377.290 2.131 20 0 GEADLO CC[C@H]([NH2+][C@@H]1CCN(CCC(=O)OC)C1=O)c1nc(C(F)(F)F)cs1 ZINC000594726264 652676498 /nfs/dbraw/zinc/67/64/98/652676498.db2.gz AVSQPWABNNNIHP-VHSXEESVSA-N 1 2 379.404 2.367 20 0 GEADLO CC1=CC[N@H+](CCNS(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000762552033 652702560 /nfs/dbraw/zinc/70/25/60/652702560.db2.gz NJNSDCYZTUXIKB-UHFFFAOYSA-N 1 2 394.722 2.428 20 0 GEADLO CC1=CC[N@@H+](CCNS(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000762552033 652702566 /nfs/dbraw/zinc/70/25/66/652702566.db2.gz NJNSDCYZTUXIKB-UHFFFAOYSA-N 1 2 394.722 2.428 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)NCC[S@@](C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762579342 652704714 /nfs/dbraw/zinc/70/47/14/652704714.db2.gz ZECVRNOEZBKRST-BKNZZOIVSA-N 1 2 375.897 2.150 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)NCC[S@@](C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762579342 652704729 /nfs/dbraw/zinc/70/47/29/652704729.db2.gz ZECVRNOEZBKRST-BKNZZOIVSA-N 1 2 375.897 2.150 20 0 GEADLO C[C@@H](C[NH+]1CCN(S(=O)(=O)N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000669687848 652713642 /nfs/dbraw/zinc/71/36/42/652713642.db2.gz KVQWBQJUEIWKOL-ZDUSSCGKSA-N 1 2 379.448 2.233 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cs1 ZINC000595391997 652719739 /nfs/dbraw/zinc/71/97/39/652719739.db2.gz DTZLIEMPATYYTP-AWEZNQCLSA-N 1 2 380.491 2.088 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cs1 ZINC000595391997 652719753 /nfs/dbraw/zinc/71/97/53/652719753.db2.gz DTZLIEMPATYYTP-AWEZNQCLSA-N 1 2 380.491 2.088 20 0 GEADLO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595828863 652737125 /nfs/dbraw/zinc/73/71/25/652737125.db2.gz MCUUFEGKYZIIEL-KBPBESRZSA-N 1 2 391.295 2.320 20 0 GEADLO CC(C)(C)OC(=O)CNC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595831157 652737417 /nfs/dbraw/zinc/73/74/17/652737417.db2.gz YDKNDDPMTSYFGI-LBPRGKRZSA-N 1 2 377.268 2.074 20 0 GEADLO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595828865 652737457 /nfs/dbraw/zinc/73/74/57/652737457.db2.gz MCUUFEGKYZIIEL-UONOGXRCSA-N 1 2 391.295 2.320 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCn2cc[nH+]c2)c1 ZINC000763117680 652738521 /nfs/dbraw/zinc/73/85/21/652738521.db2.gz XOBOSFRCIWVSCF-UHFFFAOYSA-N 1 2 385.873 2.424 20 0 GEADLO O=C(NC[C@@H]1CCCNC1=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000670430404 652747723 /nfs/dbraw/zinc/74/77/23/652747723.db2.gz XEIIMSXEGVZAHY-HOCLYGCPSA-N 1 2 394.313 2.228 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635853505 652759903 /nfs/dbraw/zinc/75/99/03/652759903.db2.gz HZPWBFMSTSOETD-NWANDNLSSA-N 1 2 378.270 2.243 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635853505 652759906 /nfs/dbraw/zinc/75/99/06/652759906.db2.gz HZPWBFMSTSOETD-NWANDNLSSA-N 1 2 378.270 2.243 20 0 GEADLO O=S1(=O)CC[C@@H](CC[NH+]2CCN(c3cccc(Br)c3)CC2)C1 ZINC000671253150 652789627 /nfs/dbraw/zinc/78/96/27/652789627.db2.gz LOSDTFHZDIZMPK-CQSZACIVSA-N 1 2 387.343 2.396 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)C1=CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000636281275 652793488 /nfs/dbraw/zinc/79/34/88/652793488.db2.gz NJURYXFAVFRAJZ-AWEZNQCLSA-N 1 2 377.293 2.067 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCc3cc(Br)cc(F)c32)CCO1 ZINC000764361510 652798004 /nfs/dbraw/zinc/79/80/04/652798004.db2.gz RAVFPVWBJKBTJI-LLVKDONJSA-N 1 2 386.265 2.381 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCc3cc(Br)cc(F)c32)CCO1 ZINC000764361510 652798010 /nfs/dbraw/zinc/79/80/10/652798010.db2.gz RAVFPVWBJKBTJI-LLVKDONJSA-N 1 2 386.265 2.381 20 0 GEADLO COC(=O)[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccccc1Br ZINC000598187828 652803822 /nfs/dbraw/zinc/80/38/22/652803822.db2.gz WNAALRKDVRZSOJ-HNNXBMFYSA-N 1 2 380.242 2.146 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1Br ZINC000598188736 652804170 /nfs/dbraw/zinc/80/41/70/652804170.db2.gz ZGQVWLNXSRVMJM-ABAIWWIYSA-N 1 2 392.253 2.239 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccccc1Br ZINC000598190143 652804460 /nfs/dbraw/zinc/80/44/60/652804460.db2.gz DZXJANRNLLMMOG-HZMBPMFUSA-N 1 2 380.242 2.381 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccccc1Br ZINC000598190143 652804465 /nfs/dbraw/zinc/80/44/65/652804465.db2.gz DZXJANRNLLMMOG-HZMBPMFUSA-N 1 2 380.242 2.381 20 0 GEADLO C[C@@H](CS(C)(=O)=O)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636783531 652823092 /nfs/dbraw/zinc/82/30/92/652823092.db2.gz DBMBEOPISYKJMX-IINYFYTJSA-N 1 2 396.340 2.328 20 0 GEADLO C[C@@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)Oc1ccc(Br)cc1 ZINC000636861480 652826668 /nfs/dbraw/zinc/82/66/68/652826668.db2.gz GHOBRWBXHCNRAU-AAEUAGOBSA-N 1 2 379.258 2.337 20 0 GEADLO C[C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)Oc1cccc(Br)c1 ZINC000636864334 652827436 /nfs/dbraw/zinc/82/74/36/652827436.db2.gz LWJBWPSRYJCULA-WCQYABFASA-N 1 2 379.258 2.337 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3C[C@@H](O)C3)[nH+]c12 ZINC000637043238 652834870 /nfs/dbraw/zinc/83/48/70/652834870.db2.gz WGUPEQYFKJNVMF-VDISTLRHSA-N 1 2 381.274 2.018 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000598947766 652841702 /nfs/dbraw/zinc/84/17/02/652841702.db2.gz MIECMBNSSLIWGN-ZDUSSCGKSA-N 1 2 378.226 2.177 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1c(F)cccc1I ZINC000598949916 652842337 /nfs/dbraw/zinc/84/23/37/652842337.db2.gz XEOXLUSJQGNACO-SECBINFHSA-N 1 2 385.180 2.372 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NC(C)(C)C)cc2Br)CC1 ZINC000765706535 652848655 /nfs/dbraw/zinc/84/86/55/652848655.db2.gz KKWSTZNOUCGLFL-UHFFFAOYSA-N 1 2 397.317 2.054 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NCCS(=O)(=O)CC1CC1)c1ccc(Cl)cc1 ZINC000765960216 652860158 /nfs/dbraw/zinc/86/01/58/652860158.db2.gz WCJUVONXCZPVIX-MRXNPFEDSA-N 1 2 387.933 2.067 20 0 GEADLO O=C(Nc1nncs1)C1CC[NH+](Cn2ccc(-c3nccs3)n2)CC1 ZINC000766066717 652864818 /nfs/dbraw/zinc/86/48/18/652864818.db2.gz KSVWKZJGOOYYJF-UHFFFAOYSA-N 1 2 375.483 2.166 20 0 GEADLO CC[N@H+](CC(=O)NC)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000766108647 652868237 /nfs/dbraw/zinc/86/82/37/652868237.db2.gz DHDQMQZECYBSNQ-OAHLLOKOSA-N 1 2 382.302 2.321 20 0 GEADLO CC[N@@H+](CC(=O)NC)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000766108647 652868238 /nfs/dbraw/zinc/86/82/38/652868238.db2.gz DHDQMQZECYBSNQ-OAHLLOKOSA-N 1 2 382.302 2.321 20 0 GEADLO COc1nsc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1Br ZINC000637960743 652879241 /nfs/dbraw/zinc/87/92/41/652879241.db2.gz RPLOTVGIBYFMSD-NSHDSACASA-N 1 2 376.320 2.211 20 0 GEADLO COc1nsc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1Br ZINC000637960743 652879244 /nfs/dbraw/zinc/87/92/44/652879244.db2.gz RPLOTVGIBYFMSD-NSHDSACASA-N 1 2 376.320 2.211 20 0 GEADLO COC(=O)[C@@]1([NH2+]CCn2cccn2)CCc2cc(Br)ccc2C1 ZINC000599596348 652879303 /nfs/dbraw/zinc/87/93/03/652879303.db2.gz RNGWPQQXNYKPSZ-QGZVFWFLSA-N 1 2 378.270 2.336 20 0 GEADLO COc1cc(Cl)c(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1OC ZINC000637975554 652880076 /nfs/dbraw/zinc/88/00/76/652880076.db2.gz QDMXSEKOQFCATP-UHFFFAOYSA-N 1 2 376.906 2.213 20 0 GEADLO COC(=O)C1C[C@H](C)[NH+](CC(=O)Nc2ccc(Br)cn2)[C@@H](C)C1 ZINC000599695035 652883826 /nfs/dbraw/zinc/88/38/26/652883826.db2.gz JPVBWQYISJYNBB-QWRGUYRKSA-N 1 2 384.274 2.445 20 0 GEADLO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674204250 652890674 /nfs/dbraw/zinc/89/06/74/652890674.db2.gz XTSMOMDVJGBKKV-CQSZACIVSA-N 1 2 377.242 2.448 20 0 GEADLO COC1CC[NH+](CCNS(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000674346771 652896198 /nfs/dbraw/zinc/89/61/98/652896198.db2.gz TUYKFFIBWUAFTK-UHFFFAOYSA-N 1 2 397.360 2.208 20 0 GEADLO C[C@H](CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000674425265 652897390 /nfs/dbraw/zinc/89/73/90/652897390.db2.gz XTKGUVGPJCFBKD-VWYCJHECSA-N 1 2 377.329 2.089 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cn(C)c(Cl)n2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000766851444 652900685 /nfs/dbraw/zinc/90/06/85/652900685.db2.gz ROWCSRZSMUZRGM-KGLIPLIRSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cn(C)c(Cl)n2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000766851444 652900689 /nfs/dbraw/zinc/90/06/89/652900689.db2.gz ROWCSRZSMUZRGM-KGLIPLIRSA-N 1 2 382.917 2.357 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000766900048 652902962 /nfs/dbraw/zinc/90/29/62/652902962.db2.gz UDVGTVDRFUGVAN-VWLOTQADSA-N 1 2 375.416 2.343 20 0 GEADLO NS(=O)(=O)c1cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)ccc1Cl ZINC000639034735 652916570 /nfs/dbraw/zinc/91/65/70/652916570.db2.gz MDPQEJYZHQLGFP-AWEZNQCLSA-N 1 2 388.917 2.005 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000639107597 652919468 /nfs/dbraw/zinc/91/94/68/652919468.db2.gz TUSXEBMWOCZHND-MFKMUULPSA-N 1 2 386.823 2.123 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000639107597 652919471 /nfs/dbraw/zinc/91/94/71/652919471.db2.gz TUSXEBMWOCZHND-MFKMUULPSA-N 1 2 386.823 2.123 20 0 GEADLO CO[C@]1(C)CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639118101 652920198 /nfs/dbraw/zinc/92/01/98/652920198.db2.gz MSATUVOMCOHKQR-CQSZACIVSA-N 1 2 377.304 2.097 20 0 GEADLO CO[C@]1(C)CCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639118101 652920199 /nfs/dbraw/zinc/92/01/99/652920199.db2.gz MSATUVOMCOHKQR-CQSZACIVSA-N 1 2 377.304 2.097 20 0 GEADLO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675280089 652921998 /nfs/dbraw/zinc/92/19/98/652921998.db2.gz CTOJRWXLICNFQC-AWEZNQCLSA-N 1 2 383.279 2.117 20 0 GEADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c2nccn21 ZINC000639251552 652928542 /nfs/dbraw/zinc/92/85/42/652928542.db2.gz ZIKHTQALOOZFRN-BXKDBHETSA-N 1 2 385.287 2.089 20 0 GEADLO C[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c2nccn21 ZINC000639251553 652928695 /nfs/dbraw/zinc/92/86/95/652928695.db2.gz ZIKHTQALOOZFRN-CABZTGNLSA-N 1 2 385.287 2.089 20 0 GEADLO Brc1cccc(OCCN2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000639462196 652937886 /nfs/dbraw/zinc/93/78/86/652937886.db2.gz QTVRNJBBINKPLJ-UHFFFAOYSA-N 1 2 391.313 2.478 20 0 GEADLO COc1cc(Br)c(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1OC ZINC000639582084 652942699 /nfs/dbraw/zinc/94/26/99/652942699.db2.gz QMBHIIVUGXSFOR-VIFPVBQESA-N 1 2 381.230 2.409 20 0 GEADLO Cn1ccnc1[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)C(C)(C)CO ZINC000639775340 652954481 /nfs/dbraw/zinc/95/44/81/652954481.db2.gz SZFAOATUHZRQFK-HNNXBMFYSA-N 1 2 395.301 2.471 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000676702894 653104157 /nfs/dbraw/zinc/10/41/57/653104157.db2.gz ZWTOPLAQYDRJMP-OLZOCXBDSA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000676702894 653104161 /nfs/dbraw/zinc/10/41/61/653104161.db2.gz ZWTOPLAQYDRJMP-OLZOCXBDSA-N 1 2 394.320 2.385 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)C1)C1CC1 ZINC000676783278 653106476 /nfs/dbraw/zinc/10/64/76/653106476.db2.gz MULWLUMLDMFFMS-LBPRGKRZSA-N 1 2 377.432 2.394 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1)C1CC1 ZINC000676783278 653106481 /nfs/dbraw/zinc/10/64/81/653106481.db2.gz MULWLUMLDMFFMS-LBPRGKRZSA-N 1 2 377.432 2.394 20 0 GEADLO CC(C)n1ncc2cc(C[NH+]3CCC(NS(C)(=O)=O)CC3)c(Cl)nc21 ZINC000768227236 653106597 /nfs/dbraw/zinc/10/65/97/653106597.db2.gz FVDLCKAPLJXOEP-UHFFFAOYSA-N 1 2 385.921 2.179 20 0 GEADLO Cn1c[nH+]cc1C[S@](=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000768319910 653110214 /nfs/dbraw/zinc/11/02/14/653110214.db2.gz OHWATFHFJBNFNJ-OAQYLSRUSA-N 1 2 381.306 2.450 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000768563314 653117640 /nfs/dbraw/zinc/11/76/40/653117640.db2.gz SQEFZIWQMZFUFL-NXEZZACHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000768563314 653117641 /nfs/dbraw/zinc/11/76/41/653117641.db2.gz SQEFZIWQMZFUFL-NXEZZACHSA-N 1 2 395.294 2.310 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)OC)c2ccc(Cl)cc2Cl)C1 ZINC000805469403 653117747 /nfs/dbraw/zinc/11/77/47/653117747.db2.gz MCAQXSHLSHJMER-UONOGXRCSA-N 1 2 376.236 2.471 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)OC)c2ccc(Cl)cc2Cl)C1 ZINC000805469403 653117756 /nfs/dbraw/zinc/11/77/56/653117756.db2.gz MCAQXSHLSHJMER-UONOGXRCSA-N 1 2 376.236 2.471 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c(Cl)cc1Cl ZINC000768563461 653117816 /nfs/dbraw/zinc/11/78/16/653117816.db2.gz TYBZIGFWAGQPQQ-VHSXEESVSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(Cl)cc1Cl ZINC000768563461 653117825 /nfs/dbraw/zinc/11/78/25/653117825.db2.gz TYBZIGFWAGQPQQ-VHSXEESVSA-N 1 2 395.308 2.493 20 0 GEADLO CCOc1cc(C[NH+]2CCC(NS(C)(=O)=O)CC2)cc(Cl)c1OC ZINC000678129591 653127799 /nfs/dbraw/zinc/12/77/99/653127799.db2.gz ATNFQIKEADMEQF-UHFFFAOYSA-N 1 2 376.906 2.261 20 0 GEADLO CN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)CC(F)(F)Br ZINC000805837284 653131554 /nfs/dbraw/zinc/13/15/54/653131554.db2.gz ACIRAUJNJUTZNT-UHFFFAOYSA-N 1 2 396.301 2.312 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000601967282 653134411 /nfs/dbraw/zinc/13/44/11/653134411.db2.gz FZNVQRSZBITPDM-CYBMUJFWSA-N 1 2 383.857 2.007 20 0 GEADLO COCC[N@H+](C)Cc1cn(CC(=O)Nc2ccc(C)cc2Br)nn1 ZINC000640772007 653137953 /nfs/dbraw/zinc/13/79/53/653137953.db2.gz QGMCZRPXWMTPEO-UHFFFAOYSA-N 1 2 396.289 2.066 20 0 GEADLO COCC[N@@H+](C)Cc1cn(CC(=O)Nc2ccc(C)cc2Br)nn1 ZINC000640772007 653137959 /nfs/dbraw/zinc/13/79/59/653137959.db2.gz QGMCZRPXWMTPEO-UHFFFAOYSA-N 1 2 396.289 2.066 20 0 GEADLO C[C@@H](NC(=O)Cn1cc(Cn2cc[nH+]c2)nn1)c1ccc(Br)cc1 ZINC000640847652 653141954 /nfs/dbraw/zinc/14/19/54/653141954.db2.gz MZTXSDWSVWLEMN-GFCCVEGCSA-N 1 2 389.257 2.163 20 0 GEADLO COCC[N@H+](C)Cc1cn([C@H](C)C(=O)Nc2cccc(Br)c2)nn1 ZINC000640881006 653143636 /nfs/dbraw/zinc/14/36/36/653143636.db2.gz NFAJUNNEIRXRGZ-GFCCVEGCSA-N 1 2 396.289 2.319 20 0 GEADLO COCC[N@@H+](C)Cc1cn([C@H](C)C(=O)Nc2cccc(Br)c2)nn1 ZINC000640881006 653143638 /nfs/dbraw/zinc/14/36/38/653143638.db2.gz NFAJUNNEIRXRGZ-GFCCVEGCSA-N 1 2 396.289 2.319 20 0 GEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCCSC(F)(F)F)CC1 ZINC000769127478 653143858 /nfs/dbraw/zinc/14/38/58/653143858.db2.gz MJOZVWNDFKTKOP-UHFFFAOYSA-N 1 2 385.452 2.345 20 0 GEADLO C[C@H](c1ccc(Cl)cc1Cl)n1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC000640991001 653149544 /nfs/dbraw/zinc/14/95/44/653149544.db2.gz IIMHRJKJFAIHET-ZYHUDNBSSA-N 1 2 389.308 2.471 20 0 GEADLO NC(=O)c1csc(C[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000679774649 653152534 /nfs/dbraw/zinc/15/25/34/653152534.db2.gz VVRAAEJUDNZEIG-INIZCTEOSA-N 1 2 379.507 2.253 20 0 GEADLO NC(=O)c1csc(C[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000679774649 653152537 /nfs/dbraw/zinc/15/25/37/653152537.db2.gz VVRAAEJUDNZEIG-INIZCTEOSA-N 1 2 379.507 2.253 20 0 GEADLO COC(=O)c1cnc([C@H](C)NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)s1 ZINC000602166177 653153231 /nfs/dbraw/zinc/15/32/31/653153231.db2.gz IRTAKVMWGLRSGN-WPRPVWTQSA-N 1 2 376.360 2.497 20 0 GEADLO C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O)[N@@H+]1CCc2sccc2C1 ZINC000602236017 653160011 /nfs/dbraw/zinc/16/00/11/653160011.db2.gz OVZAHBZWZGHYKF-MRSHZHLWSA-N 1 2 381.567 2.190 20 0 GEADLO C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O)[N@H+]1CCc2sccc2C1 ZINC000602236017 653160016 /nfs/dbraw/zinc/16/00/16/653160016.db2.gz OVZAHBZWZGHYKF-MRSHZHLWSA-N 1 2 381.567 2.190 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000769513618 653160288 /nfs/dbraw/zinc/16/02/88/653160288.db2.gz DBMJWSYRZDPONB-QLFBSQMISA-N 1 2 387.933 2.063 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000769513618 653160290 /nfs/dbraw/zinc/16/02/90/653160290.db2.gz DBMJWSYRZDPONB-QLFBSQMISA-N 1 2 387.933 2.063 20 0 GEADLO C[C@@H](CCC(F)(F)F)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000680335553 653164645 /nfs/dbraw/zinc/16/46/45/653164645.db2.gz VBFFJGYTMRLXGC-LBPRGKRZSA-N 1 2 380.436 2.306 20 0 GEADLO Cc1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(Cl)cc1F ZINC000806584631 653168805 /nfs/dbraw/zinc/16/88/05/653168805.db2.gz OEELKTJQIAJOIH-UHFFFAOYSA-N 1 2 391.896 2.418 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1ccc(N(C)C)[nH+]c1 ZINC000772927373 653171853 /nfs/dbraw/zinc/17/18/53/653171853.db2.gz HBOWLCFZLAILGU-CYBMUJFWSA-N 1 2 383.905 2.278 20 0 GEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000772932173 653171918 /nfs/dbraw/zinc/17/19/18/653171918.db2.gz MMLMJQQKCJXJOQ-GFCCVEGCSA-N 1 2 394.273 2.210 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CCO1 ZINC000806666181 653172701 /nfs/dbraw/zinc/17/27/01/653172701.db2.gz HFJIRJXSIDJUQO-BLLLJJGKSA-N 1 2 397.317 2.315 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CCO1 ZINC000806666181 653172708 /nfs/dbraw/zinc/17/27/08/653172708.db2.gz HFJIRJXSIDJUQO-BLLLJJGKSA-N 1 2 397.317 2.315 20 0 GEADLO C[C@@H](NC(=S)NCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000769797682 653177852 /nfs/dbraw/zinc/17/78/52/653177852.db2.gz YRJKWUWNQYQWNP-RISCZKNCSA-N 1 2 377.432 2.268 20 0 GEADLO C[C@@H](NC(=S)NCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000769797682 653177855 /nfs/dbraw/zinc/17/78/55/653177855.db2.gz YRJKWUWNQYQWNP-RISCZKNCSA-N 1 2 377.432 2.268 20 0 GEADLO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(I)s2)CC1 ZINC000602481097 653185778 /nfs/dbraw/zinc/18/57/78/653185778.db2.gz BVNISZRNPBSKMN-GFCCVEGCSA-N 1 2 395.262 2.099 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCC1(c2cccc(Br)c2)CC1 ZINC000641329840 653188080 /nfs/dbraw/zinc/18/80/80/653188080.db2.gz GTYMXLVMDCYSJT-UHFFFAOYSA-N 1 2 384.299 2.297 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000807280411 653189044 /nfs/dbraw/zinc/18/90/44/653189044.db2.gz JOIHXXVVGROPLZ-SNVBAGLBSA-N 1 2 380.813 2.225 20 0 GEADLO CN1CCN(c2ccc(NC(=O)CCc3[nH]cc[nH+]3)cc2Br)CC1 ZINC000807363294 653191336 /nfs/dbraw/zinc/19/13/36/653191336.db2.gz ZSNHHOUXZRPRFO-UHFFFAOYSA-N 1 2 392.301 2.495 20 0 GEADLO O=C(c1nccn2c(Br)cnc12)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000769957706 653192255 /nfs/dbraw/zinc/19/22/55/653192255.db2.gz IJBXHUWUQGZUDX-UHFFFAOYSA-N 1 2 375.230 2.235 20 0 GEADLO O=C(c1nccn2c(Br)cnc12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000769957706 653192257 /nfs/dbraw/zinc/19/22/57/653192257.db2.gz IJBXHUWUQGZUDX-UHFFFAOYSA-N 1 2 375.230 2.235 20 0 GEADLO CCCCn1c(SCC2CN(S(C)(=O)=O)C2)nnc1[C@H](CC)[NH+](C)C ZINC000641403885 653199955 /nfs/dbraw/zinc/19/99/55/653199955.db2.gz PYQUTQUQJXVSDI-AWEZNQCLSA-N 1 2 389.591 2.074 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000641406229 653200899 /nfs/dbraw/zinc/20/08/99/653200899.db2.gz NQNARHFRUAZTLN-UHFFFAOYSA-N 1 2 378.281 2.014 20 0 GEADLO CN([C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641434737 653205381 /nfs/dbraw/zinc/20/53/81/653205381.db2.gz MNSYFIAFXCRHGH-GJZGRUSLSA-N 1 2 390.292 2.110 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2ccc(Br)c(Cl)c2)CCO1 ZINC000682486639 653213685 /nfs/dbraw/zinc/21/36/85/653213685.db2.gz ZHRSTPLJXUONJV-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2ccc(Br)c(Cl)c2)CCO1 ZINC000682486639 653213689 /nfs/dbraw/zinc/21/36/89/653213689.db2.gz ZHRSTPLJXUONJV-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO CO[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000682690455 653221409 /nfs/dbraw/zinc/22/14/09/653221409.db2.gz ITHBGKBHOTZKCH-HOTGVXAUSA-N 1 2 383.286 2.417 20 0 GEADLO CO[C@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000682690454 653221526 /nfs/dbraw/zinc/22/15/26/653221526.db2.gz ITHBGKBHOTZKCH-CVEARBPZSA-N 1 2 383.286 2.417 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(Cl)cc1Cl ZINC000770715708 653222278 /nfs/dbraw/zinc/22/22/78/653222278.db2.gz BOOJXEKSLKPKLK-UWVGGRQHSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(Cl)cc1Cl ZINC000770715708 653222281 /nfs/dbraw/zinc/22/22/81/653222281.db2.gz BOOJXEKSLKPKLK-UWVGGRQHSA-N 1 2 395.308 2.493 20 0 GEADLO CC(=O)NCC[C@@H]1CCC[N@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000808216824 653222797 /nfs/dbraw/zinc/22/27/97/653222797.db2.gz KSRQOYWLHSPKIB-AWEZNQCLSA-N 1 2 379.555 2.415 20 0 GEADLO CC(=O)NCC[C@@H]1CCC[N@@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000808216824 653222800 /nfs/dbraw/zinc/22/28/00/653222800.db2.gz KSRQOYWLHSPKIB-AWEZNQCLSA-N 1 2 379.555 2.415 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cn2ccc(-c3ccsc3)n2)C1)C1CC1 ZINC000808224422 653223339 /nfs/dbraw/zinc/22/33/39/653223339.db2.gz CVAYZGZQGJFELI-AWEZNQCLSA-N 1 2 380.539 2.363 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cn2ccc(-c3ccsc3)n2)C1)C1CC1 ZINC000808224422 653223340 /nfs/dbraw/zinc/22/33/40/653223340.db2.gz CVAYZGZQGJFELI-AWEZNQCLSA-N 1 2 380.539 2.363 20 0 GEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccnc1Br ZINC000774107794 653225053 /nfs/dbraw/zinc/22/50/53/653225053.db2.gz GKELAQMFIZIXFO-GFCCVEGCSA-N 1 2 394.273 2.210 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000641636045 653225961 /nfs/dbraw/zinc/22/59/61/653225961.db2.gz OPWUVNYXMYOJPE-AWEZNQCLSA-N 1 2 378.281 2.233 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000774147263 653226516 /nfs/dbraw/zinc/22/65/16/653226516.db2.gz YZUXASPVNMKCQK-UHFFFAOYSA-N 1 2 392.257 2.104 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ncc1Br ZINC000683653009 653236211 /nfs/dbraw/zinc/23/62/11/653236211.db2.gz FAXSOBPQEUVZAW-GFCCVEGCSA-N 1 2 392.257 2.151 20 0 GEADLO O=C1CSc2ncnc(N3CC[NH+](Cc4ccccc4Cl)CC3)c2N1 ZINC000683750577 653240138 /nfs/dbraw/zinc/24/01/38/653240138.db2.gz PKUAESKMMSZVQF-UHFFFAOYSA-N 1 2 375.885 2.496 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)[C@H](C)C1 ZINC000774784228 653255426 /nfs/dbraw/zinc/25/54/26/653255426.db2.gz CDLVYZVCUOQTDJ-ICDLMJIXSA-N 1 2 386.901 2.210 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)[C@H](C)C1 ZINC000774784228 653255451 /nfs/dbraw/zinc/25/54/51/653255451.db2.gz CDLVYZVCUOQTDJ-ICDLMJIXSA-N 1 2 386.901 2.210 20 0 GEADLO Cc1nn(C)c(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1Br ZINC000684110712 653261243 /nfs/dbraw/zinc/26/12/43/653261243.db2.gz VNELQWATUISJKJ-UHFFFAOYSA-N 1 2 378.317 2.246 20 0 GEADLO C[C@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)[C@H]1C[N@H+](C)CCO1 ZINC000684464161 653266689 /nfs/dbraw/zinc/26/66/89/653266689.db2.gz RDAMZHMGQBRKDW-NWDGAFQWSA-N 1 2 380.539 2.407 20 0 GEADLO C[C@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)[C@H]1C[N@@H+](C)CCO1 ZINC000684464161 653266698 /nfs/dbraw/zinc/26/66/98/653266698.db2.gz RDAMZHMGQBRKDW-NWDGAFQWSA-N 1 2 380.539 2.407 20 0 GEADLO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684552272 653276066 /nfs/dbraw/zinc/27/60/66/653276066.db2.gz JFIIAWXEFZAVDM-SECBINFHSA-N 1 2 394.324 2.350 20 0 GEADLO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1nc2ccccn2c1Br ZINC000809640151 653286564 /nfs/dbraw/zinc/28/65/64/653286564.db2.gz AZQNVTSDVIUMDL-MRXNPFEDSA-N 1 2 384.274 2.279 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809656162 653287769 /nfs/dbraw/zinc/28/77/69/653287769.db2.gz XRVRFNWDFCUTEW-JSGCOSHPSA-N 1 2 388.295 2.487 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809656162 653287778 /nfs/dbraw/zinc/28/77/78/653287778.db2.gz XRVRFNWDFCUTEW-JSGCOSHPSA-N 1 2 388.295 2.487 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2c(Cl)nc3ccccn32)C1)C1CC1 ZINC000809783642 653294593 /nfs/dbraw/zinc/29/45/93/653294593.db2.gz BOILBPNUBYFNIJ-CYBMUJFWSA-N 1 2 382.917 2.282 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2c(Cl)nc3ccccn32)C1)C1CC1 ZINC000809783642 653294601 /nfs/dbraw/zinc/29/46/01/653294601.db2.gz BOILBPNUBYFNIJ-CYBMUJFWSA-N 1 2 382.917 2.282 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)C[C@@H]1CCC(F)(F)C1)[NH+]1CCOCC1 ZINC000685294181 653301914 /nfs/dbraw/zinc/30/19/14/653301914.db2.gz XREMTAFXEYTDDS-ZBFHGGJFSA-N 1 2 382.517 2.478 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCS(=O)(=O)CC1CC1 ZINC000775312752 653310383 /nfs/dbraw/zinc/31/03/83/653310383.db2.gz OGODFTRLAXYNGE-UHFFFAOYSA-N 1 2 379.931 2.048 20 0 GEADLO Nc1c(Cl)ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1Cl ZINC000857466603 653324072 /nfs/dbraw/zinc/32/40/72/653324072.db2.gz AEECAZHLLWOZNV-LBPRGKRZSA-N 1 2 388.295 2.139 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000874706386 653333696 /nfs/dbraw/zinc/33/36/96/653333696.db2.gz PBJMXZVPRXKCKT-HNNXBMFYSA-N 1 2 393.285 2.233 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000874706386 653333699 /nfs/dbraw/zinc/33/36/99/653333699.db2.gz PBJMXZVPRXKCKT-HNNXBMFYSA-N 1 2 393.285 2.233 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@H]1CCSC1)c1ccccc1Cl ZINC000874998795 653346170 /nfs/dbraw/zinc/34/61/70/653346170.db2.gz WDCSAECSTAISKA-XJKSGUPXSA-N 1 2 383.945 2.318 20 0 GEADLO CCON(CC)C(=O)C[NH2+]Cc1c(Br)cc(OC)cc1OC ZINC000858219893 653355514 /nfs/dbraw/zinc/35/55/14/653355514.db2.gz DTLJQYNDZSERKA-UHFFFAOYSA-N 1 2 375.263 2.356 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1cnc(Cl)c(Br)c1 ZINC000836512714 653357504 /nfs/dbraw/zinc/35/75/04/653357504.db2.gz QXKSQMUEPIMNGM-PHIMTYICSA-N 1 2 389.681 2.482 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1cnc(Cl)c(Br)c1 ZINC000836512714 653357509 /nfs/dbraw/zinc/35/75/09/653357509.db2.gz QXKSQMUEPIMNGM-PHIMTYICSA-N 1 2 389.681 2.482 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000875322322 653363769 /nfs/dbraw/zinc/36/37/69/653363769.db2.gz BGAHSIRTRFXWLX-NSHDSACASA-N 1 2 380.436 2.114 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000875322322 653363773 /nfs/dbraw/zinc/36/37/73/653363773.db2.gz BGAHSIRTRFXWLX-NSHDSACASA-N 1 2 380.436 2.114 20 0 GEADLO O=C(CCCn1cc[nH+]c1)Nc1ccc2c(c1Br)S(=O)(=O)CC2 ZINC000876037053 653400993 /nfs/dbraw/zinc/40/09/93/653400993.db2.gz VSKDUHMYOATQSJ-UHFFFAOYSA-N 1 2 398.282 2.394 20 0 GEADLO C[N@H+](CCn1cc(Br)cn1)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811776446 653404019 /nfs/dbraw/zinc/40/40/19/653404019.db2.gz NCMMOQQEGMQIQX-GJZGRUSLSA-N 1 2 397.317 2.095 20 0 GEADLO C[N@@H+](CCn1cc(Br)cn1)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811776446 653404021 /nfs/dbraw/zinc/40/40/21/653404021.db2.gz NCMMOQQEGMQIQX-GJZGRUSLSA-N 1 2 397.317 2.095 20 0 GEADLO O=C(NC[C@H]1CCC[N@H+](Cn2c(=O)sc3c2CCCC3)C1)C(F)(F)F ZINC000811785187 653404606 /nfs/dbraw/zinc/40/46/06/653404606.db2.gz AYHBUUBNQIKTCO-LLVKDONJSA-N 1 2 377.432 2.137 20 0 GEADLO O=C(NC[C@H]1CCC[N@@H+](Cn2c(=O)sc3c2CCCC3)C1)C(F)(F)F ZINC000811785187 653404609 /nfs/dbraw/zinc/40/46/09/653404609.db2.gz AYHBUUBNQIKTCO-LLVKDONJSA-N 1 2 377.432 2.137 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cnn(CC2CC2)c1)[N@@H+]1CCc2sccc2C1 ZINC000777876231 653410285 /nfs/dbraw/zinc/41/02/85/653410285.db2.gz VYEMOQIEGKBUGN-CYBMUJFWSA-N 1 2 380.539 2.080 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cnn(CC2CC2)c1)[N@H+]1CCc2sccc2C1 ZINC000777876231 653410300 /nfs/dbraw/zinc/41/03/00/653410300.db2.gz VYEMOQIEGKBUGN-CYBMUJFWSA-N 1 2 380.539 2.080 20 0 GEADLO CO[C@@H]1CCC[N@H+](Cn2c3ccc(I)cc3oc2=O)C1 ZINC000777956270 653413750 /nfs/dbraw/zinc/41/37/50/653413750.db2.gz IRZZJIQEZICGSL-LLVKDONJSA-N 1 2 388.205 2.267 20 0 GEADLO CO[C@@H]1CCC[N@@H+](Cn2c3ccc(I)cc3oc2=O)C1 ZINC000777956270 653413754 /nfs/dbraw/zinc/41/37/54/653413754.db2.gz IRZZJIQEZICGSL-LLVKDONJSA-N 1 2 388.205 2.267 20 0 GEADLO CC1(O)CC[NH+](Cn2c(=O)oc3cc(I)ccc32)CC1 ZINC000777962406 653414327 /nfs/dbraw/zinc/41/43/27/653414327.db2.gz CVRFGKUYEPRHHG-UHFFFAOYSA-N 1 2 388.205 2.003 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Br)nc1F ZINC000859213310 653424377 /nfs/dbraw/zinc/42/43/77/653424377.db2.gz MSWGIBAGHCTLPR-WDEREUQCSA-N 1 2 392.294 2.278 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Br)nc1F ZINC000859213310 653424383 /nfs/dbraw/zinc/42/43/83/653424383.db2.gz MSWGIBAGHCTLPR-WDEREUQCSA-N 1 2 392.294 2.278 20 0 GEADLO NC(=O)c1cc(OC2CC[NH+](Cc3ccncc3Br)CC2)ccn1 ZINC000859226634 653425966 /nfs/dbraw/zinc/42/59/66/653425966.db2.gz TWUFOAJOXYWCBI-UHFFFAOYSA-N 1 2 391.269 2.381 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2Br)C1 ZINC000876592920 653437195 /nfs/dbraw/zinc/43/71/95/653437195.db2.gz RYIVGFCDGAFBOZ-SNVBAGLBSA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Br)C1 ZINC000876592920 653437199 /nfs/dbraw/zinc/43/71/99/653437199.db2.gz RYIVGFCDGAFBOZ-SNVBAGLBSA-N 1 2 396.738 2.108 20 0 GEADLO Cc1ccnc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1Br ZINC000876640969 653440676 /nfs/dbraw/zinc/44/06/76/653440676.db2.gz HKMWFPIIPUQPKL-UHFFFAOYSA-N 1 2 376.320 2.008 20 0 GEADLO CCOP(=O)(CCC[NH+]1CC(S(=O)(=O)NC2CCCC2)C1)OCC ZINC000877190971 653471715 /nfs/dbraw/zinc/47/17/15/653471715.db2.gz WXSHLAAKQDZSTG-UHFFFAOYSA-N 1 2 382.463 2.189 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@H]1CCOc2c(Br)cccc21 ZINC000813357697 653477154 /nfs/dbraw/zinc/47/71/54/653477154.db2.gz RVWPPYJNQTWVQL-STQMWFEESA-N 1 2 391.225 2.159 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@H]1CCOc2c(Br)cccc21 ZINC000813357697 653477157 /nfs/dbraw/zinc/47/71/57/653477157.db2.gz RVWPPYJNQTWVQL-STQMWFEESA-N 1 2 391.225 2.159 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3nccc(C)c3Br)C2)nn1 ZINC000877365382 653479092 /nfs/dbraw/zinc/47/90/92/653479092.db2.gz QASJMJJUSNEJOB-GFCCVEGCSA-N 1 2 394.273 2.368 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3nccc(C)c3Br)C2)nn1 ZINC000877365382 653479099 /nfs/dbraw/zinc/47/90/99/653479099.db2.gz QASJMJJUSNEJOB-GFCCVEGCSA-N 1 2 394.273 2.368 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000779563111 653480637 /nfs/dbraw/zinc/48/06/37/653480637.db2.gz NKYLFKVMQINXMD-GXFFZTMASA-N 1 2 386.235 2.315 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NC/C=C/c2ccc(Br)cc2)CCO1 ZINC000838116510 653609800 /nfs/dbraw/zinc/60/98/00/653609800.db2.gz VMSUSPGJVKOWNF-BAABZTOOSA-N 1 2 382.302 2.482 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NC/C=C/c2ccc(Br)cc2)CCO1 ZINC000838116510 653609805 /nfs/dbraw/zinc/60/98/05/653609805.db2.gz VMSUSPGJVKOWNF-BAABZTOOSA-N 1 2 382.302 2.482 20 0 GEADLO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cc(OC)ccc3Br)C2)C1 ZINC000877714674 653617817 /nfs/dbraw/zinc/61/78/17/653617817.db2.gz PVKYSAJHFDLJSG-MRXNPFEDSA-N 1 2 383.242 2.352 20 0 GEADLO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cc(OC)ccc3Br)C2)C1 ZINC000877714674 653617818 /nfs/dbraw/zinc/61/78/18/653617818.db2.gz PVKYSAJHFDLJSG-MRXNPFEDSA-N 1 2 383.242 2.352 20 0 GEADLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(Br)cnc1F ZINC000860128107 653619828 /nfs/dbraw/zinc/61/98/28/653619828.db2.gz AWDWZFHLUXVADN-KBPBESRZSA-N 1 2 386.265 2.356 20 0 GEADLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(Br)cnc1F ZINC000860128109 653619834 /nfs/dbraw/zinc/61/98/34/653619834.db2.gz AWDWZFHLUXVADN-UONOGXRCSA-N 1 2 386.265 2.356 20 0 GEADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@@H](O)c1cc(Br)no1 ZINC000877914032 653623028 /nfs/dbraw/zinc/62/30/28/653623028.db2.gz YDHPFTCGMYIDLQ-GFCCVEGCSA-N 1 2 398.257 2.440 20 0 GEADLO CC[N@H+](CC(=O)Nc1ccccc1OC)C[C@@H](O)c1cc(Br)no1 ZINC000877914032 653623029 /nfs/dbraw/zinc/62/30/29/653623029.db2.gz YDHPFTCGMYIDLQ-GFCCVEGCSA-N 1 2 398.257 2.440 20 0 GEADLO O=C(NC1CC[NH+](C[C@@H](O)c2cc(Br)no2)CC1)c1ccccc1 ZINC000877926614 653623624 /nfs/dbraw/zinc/62/36/24/653623624.db2.gz DADPAUICJQEFPI-CQSZACIVSA-N 1 2 394.269 2.365 20 0 GEADLO O=C1C[C@@H](c2ccccc2)[N@H+](C[C@H](O)c2cc(Br)no2)CCN1 ZINC000878032136 653626845 /nfs/dbraw/zinc/62/68/45/653626845.db2.gz MAQZUDLOIYKJFY-STQMWFEESA-N 1 2 380.242 2.034 20 0 GEADLO O=C1C[C@@H](c2ccccc2)[N@@H+](C[C@H](O)c2cc(Br)no2)CCN1 ZINC000878032136 653626848 /nfs/dbraw/zinc/62/68/48/653626848.db2.gz MAQZUDLOIYKJFY-STQMWFEESA-N 1 2 380.242 2.034 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1CCC2(CCOCC2)O1 ZINC000878054646 653627278 /nfs/dbraw/zinc/62/72/78/653627278.db2.gz HXKLJVJNMWFVEK-CQSZACIVSA-N 1 2 398.301 2.443 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1CCC2(CCOCC2)O1 ZINC000878054646 653627280 /nfs/dbraw/zinc/62/72/80/653627280.db2.gz HXKLJVJNMWFVEK-CQSZACIVSA-N 1 2 398.301 2.443 20 0 GEADLO CC(C)(C)n1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(Br)n1 ZINC000780590514 653628586 /nfs/dbraw/zinc/62/85/86/653628586.db2.gz SJYMGDSVXQGTSI-ZDUSSCGKSA-N 1 2 399.333 2.337 20 0 GEADLO O=S(=O)(c1ccc(Cl)c2nonc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000814392335 653629671 /nfs/dbraw/zinc/62/96/71/653629671.db2.gz KIFVKUHDIJXWKM-LLVKDONJSA-N 1 2 380.813 2.113 20 0 GEADLO O[C@@H](CN1CC[NH+](Cc2cccc(F)c2)CC1)c1cc(Br)no1 ZINC000878197771 653631307 /nfs/dbraw/zinc/63/13/07/653631307.db2.gz HWCWTCNBOYCPRP-AWEZNQCLSA-N 1 2 384.249 2.427 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878600647 653642257 /nfs/dbraw/zinc/64/22/57/653642257.db2.gz GXNNEXXPLSFQQT-WFASDCNBSA-N 1 2 381.325 2.383 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878600647 653642260 /nfs/dbraw/zinc/64/22/60/653642260.db2.gz GXNNEXXPLSFQQT-WFASDCNBSA-N 1 2 381.325 2.383 20 0 GEADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878616442 653642649 /nfs/dbraw/zinc/64/26/49/653642649.db2.gz YZOOGAXKILHBOW-NEPJUHHUSA-N 1 2 390.278 2.413 20 0 GEADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878616442 653642652 /nfs/dbraw/zinc/64/26/52/653642652.db2.gz YZOOGAXKILHBOW-NEPJUHHUSA-N 1 2 390.278 2.413 20 0 GEADLO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H](O)c2cc(Br)no2)s1 ZINC000878727505 653645791 /nfs/dbraw/zinc/64/57/91/653645791.db2.gz ZOPYSGSWRUUHOH-BQBZGAKWSA-N 1 2 376.232 2.064 20 0 GEADLO Cn1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c1Cl ZINC000878795569 653647768 /nfs/dbraw/zinc/64/77/68/653647768.db2.gz RHLACNLUTSEZOG-ZETCQYMHSA-N 1 2 377.754 2.283 20 0 GEADLO Cn1nc(C(F)(F)F)c(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c1Cl ZINC000878795569 653647772 /nfs/dbraw/zinc/64/77/72/653647772.db2.gz RHLACNLUTSEZOG-ZETCQYMHSA-N 1 2 377.754 2.283 20 0 GEADLO CN(C)[S@](C)(=O)=NC(=O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCCCC1 ZINC000878860277 653649643 /nfs/dbraw/zinc/64/96/43/653649643.db2.gz DWTBOBNIVQZLKC-RUZDIDTESA-N 1 2 375.535 2.112 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1cc(Br)no1 ZINC000878971970 653653788 /nfs/dbraw/zinc/65/37/88/653653788.db2.gz CJKOWQXBSCSRAE-UHFFFAOYSA-N 1 2 396.245 2.299 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839634690 653658707 /nfs/dbraw/zinc/65/87/07/653658707.db2.gz CTIYXZHCSBYRSG-HNNXBMFYSA-N 1 2 395.301 2.403 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839634690 653658706 /nfs/dbraw/zinc/65/87/06/653658706.db2.gz CTIYXZHCSBYRSG-HNNXBMFYSA-N 1 2 395.301 2.403 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839634693 653658725 /nfs/dbraw/zinc/65/87/25/653658725.db2.gz CTIYXZHCSBYRSG-OAHLLOKOSA-N 1 2 395.301 2.403 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839634693 653658727 /nfs/dbraw/zinc/65/87/27/653658727.db2.gz CTIYXZHCSBYRSG-OAHLLOKOSA-N 1 2 395.301 2.403 20 0 GEADLO Cn1ccnc1[C@](O)(C[NH2+]Cc1ncc(Br)s1)C(F)(F)F ZINC000782361812 653660033 /nfs/dbraw/zinc/66/00/33/653660033.db2.gz NXXDLRCUBLZPSG-SNVBAGLBSA-N 1 2 385.209 2.179 20 0 GEADLO Cc1cn(C)nc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000839734321 653661922 /nfs/dbraw/zinc/66/19/22/653661922.db2.gz SJESWGSKCJRAHV-UHFFFAOYSA-N 1 2 392.301 2.495 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000879221376 653663127 /nfs/dbraw/zinc/66/31/27/653663127.db2.gz BVWJQLOIKCAUPW-GMTAPVOTSA-N 1 2 390.278 2.458 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000879221376 653663128 /nfs/dbraw/zinc/66/31/28/653663128.db2.gz BVWJQLOIKCAUPW-GMTAPVOTSA-N 1 2 390.278 2.458 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1sc2cccc(F)c2c1Cl ZINC000879307446 653665373 /nfs/dbraw/zinc/66/53/73/653665373.db2.gz VZPYUWAOFZSYBE-NSHDSACASA-N 1 2 386.876 2.459 20 0 GEADLO O[C@H](CN1CC[NH+](CCc2cnccn2)CC1)c1ccc(Br)cc1 ZINC000879421016 653668711 /nfs/dbraw/zinc/66/87/11/653668711.db2.gz UOCMVWUDEMQJEE-GOSISDBHSA-N 1 2 391.313 2.133 20 0 GEADLO O=C1[C@H](c2cccc(Br)c2)CCN1CN1CCn2c[nH+]cc2C1 ZINC000840072506 653673403 /nfs/dbraw/zinc/67/34/03/653673403.db2.gz CVAOKILFIZGTKL-INIZCTEOSA-N 1 2 375.270 2.435 20 0 GEADLO Cn1nnc(Br)c1COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000816142896 653675613 /nfs/dbraw/zinc/67/56/13/653675613.db2.gz MZHPKNHZNQKBNU-CYBMUJFWSA-N 1 2 379.258 2.285 20 0 GEADLO Cn1nnc(Br)c1COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000816142896 653675616 /nfs/dbraw/zinc/67/56/16/653675616.db2.gz MZHPKNHZNQKBNU-CYBMUJFWSA-N 1 2 379.258 2.285 20 0 GEADLO Cn1cc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c(Br)n1 ZINC000862352436 653684135 /nfs/dbraw/zinc/68/41/35/653684135.db2.gz GWSBWFZEYBKQCO-UHFFFAOYSA-N 1 2 383.212 2.073 20 0 GEADLO C[C@H]1C[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H](C(F)(F)F)O1 ZINC000880054329 653695166 /nfs/dbraw/zinc/69/51/66/653695166.db2.gz DDBDCJJPBAWSOC-WFASDCNBSA-N 1 2 380.432 2.479 20 0 GEADLO C[C@H]1C[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H](C(F)(F)F)O1 ZINC000880054329 653695168 /nfs/dbraw/zinc/69/51/68/653695168.db2.gz DDBDCJJPBAWSOC-WFASDCNBSA-N 1 2 380.432 2.479 20 0 GEADLO Cc1cc(NCCNC(=O)c2cc(Br)nn2C)nc(C(C)C)[nH+]1 ZINC000862860701 653696910 /nfs/dbraw/zinc/69/69/10/653696910.db2.gz LOOJGSUCRZCHHF-UHFFFAOYSA-N 1 2 381.278 2.246 20 0 GEADLO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCc2cccs2)C[C@H]1C(F)(F)F ZINC000880155354 653699493 /nfs/dbraw/zinc/69/94/93/653699493.db2.gz SCFIIYSJYJJNEE-CYZMBNFOSA-N 1 2 378.416 2.426 20 0 GEADLO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)NCc2cccs2)C[C@H]1C(F)(F)F ZINC000880155354 653699494 /nfs/dbraw/zinc/69/94/94/653699494.db2.gz SCFIIYSJYJJNEE-CYZMBNFOSA-N 1 2 378.416 2.426 20 0 GEADLO CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3nc(-c4cccs4)cs3)C[C@@H]2C1 ZINC000880311293 653703313 /nfs/dbraw/zinc/70/33/13/653703313.db2.gz AGYUHRDJNQEXFI-BETUJISGSA-N 1 2 376.507 2.220 20 0 GEADLO CC(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3nc(-c4cccs4)cs3)C[C@@H]2C1 ZINC000880311293 653703315 /nfs/dbraw/zinc/70/33/15/653703315.db2.gz AGYUHRDJNQEXFI-BETUJISGSA-N 1 2 376.507 2.220 20 0 GEADLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000880333446 653703859 /nfs/dbraw/zinc/70/38/59/653703859.db2.gz FSGXLMAVOMOFSB-INIZCTEOSA-N 1 2 399.285 2.336 20 0 GEADLO COc1ccc(C[N@H+](CCO)Cc2ccc(S(=O)(=O)N(C)C)s2)cc1 ZINC000880571776 653708277 /nfs/dbraw/zinc/70/82/77/653708277.db2.gz BBJPZYGHXJTDGR-UHFFFAOYSA-N 1 2 384.523 2.002 20 0 GEADLO COc1ccc(C[N@@H+](CCO)Cc2ccc(S(=O)(=O)N(C)C)s2)cc1 ZINC000880571776 653708281 /nfs/dbraw/zinc/70/82/81/653708281.db2.gz BBJPZYGHXJTDGR-UHFFFAOYSA-N 1 2 384.523 2.002 20 0 GEADLO O=S(=O)(c1ccc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1)C(F)F ZINC000880586516 653708533 /nfs/dbraw/zinc/70/85/33/653708533.db2.gz RYFATTLGTYWSHF-CQSZACIVSA-N 1 2 375.437 2.046 20 0 GEADLO O=S(=O)(c1ccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1)C(F)F ZINC000880586516 653708534 /nfs/dbraw/zinc/70/85/34/653708534.db2.gz RYFATTLGTYWSHF-CQSZACIVSA-N 1 2 375.437 2.046 20 0 GEADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C1SCCCS1 ZINC000841385618 653714453 /nfs/dbraw/zinc/71/44/53/653714453.db2.gz YLGGABPEFRGVKN-UHFFFAOYSA-N 1 2 382.551 2.210 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1c2c(ccc1Br)OCC2 ZINC000880802906 653714664 /nfs/dbraw/zinc/71/46/64/653714664.db2.gz VRRWSBFVPTXALX-LBPRGKRZSA-N 1 2 397.317 2.141 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)c(F)cc1Cl ZINC000841477451 653718814 /nfs/dbraw/zinc/71/88/14/653718814.db2.gz QRABATGAYATRLS-JTQLQIEISA-N 1 2 389.836 2.219 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)c(F)cc1Cl ZINC000841477453 653718850 /nfs/dbraw/zinc/71/88/50/653718850.db2.gz QRABATGAYATRLS-SNVBAGLBSA-N 1 2 389.836 2.219 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c(F)cc1Cl ZINC000841508337 653723209 /nfs/dbraw/zinc/72/32/09/653723209.db2.gz AJUZMMJKEGCQLE-GHMZBOCLSA-N 1 2 392.880 2.369 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c(F)cc1Cl ZINC000841508337 653723211 /nfs/dbraw/zinc/72/32/11/653723211.db2.gz AJUZMMJKEGCQLE-GHMZBOCLSA-N 1 2 392.880 2.369 20 0 GEADLO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC000841537589 653729648 /nfs/dbraw/zinc/72/96/48/653729648.db2.gz YDPZDKJGHJMZPI-UHFFFAOYSA-N 1 2 380.857 2.151 20 0 GEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1ccc(Cl)s1 ZINC000787000873 653732983 /nfs/dbraw/zinc/73/29/83/653732983.db2.gz WZPAAKPBVYDFDB-AWEZNQCLSA-N 1 2 386.901 2.158 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000787269438 653736248 /nfs/dbraw/zinc/73/62/48/653736248.db2.gz ARRDHFSTCRAHSD-LBPRGKRZSA-N 1 2 390.285 2.216 20 0 GEADLO Cn1ncc(Br)c1C[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000787269438 653736251 /nfs/dbraw/zinc/73/62/51/653736251.db2.gz ARRDHFSTCRAHSD-LBPRGKRZSA-N 1 2 390.285 2.216 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC000841573390 653736777 /nfs/dbraw/zinc/73/67/77/653736777.db2.gz MJKJHUXFHJVWLV-WDEREUQCSA-N 1 2 389.930 2.025 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC000841573390 653736778 /nfs/dbraw/zinc/73/67/78/653736778.db2.gz MJKJHUXFHJVWLV-WDEREUQCSA-N 1 2 389.930 2.025 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)CC[C@H]2CC2(Cl)Cl)C[C@H](C)O1 ZINC000881812231 653741065 /nfs/dbraw/zinc/74/10/65/653741065.db2.gz YRZFLLWYRUXSKG-XGUBFFRZSA-N 1 2 399.384 2.474 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)CC[C@H]2CC2(Cl)Cl)C[C@H](C)O1 ZINC000881812231 653741069 /nfs/dbraw/zinc/74/10/69/653741069.db2.gz YRZFLLWYRUXSKG-XGUBFFRZSA-N 1 2 399.384 2.474 20 0 GEADLO CC(=O)OCCCS(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000787919032 653746093 /nfs/dbraw/zinc/74/60/93/653746093.db2.gz XBCQCQLDCTVTFM-UHFFFAOYSA-N 1 2 388.917 2.131 20 0 GEADLO CC(=O)OCCCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000787919032 653746094 /nfs/dbraw/zinc/74/60/94/653746094.db2.gz XBCQCQLDCTVTFM-UHFFFAOYSA-N 1 2 388.917 2.131 20 0 GEADLO O=C(CCS(=O)(=O)c1cccc(Br)c1)OCCn1cc[nH+]c1 ZINC000842140236 653746473 /nfs/dbraw/zinc/74/64/73/653746473.db2.gz BAVKEWLWLYOGTR-UHFFFAOYSA-N 1 2 387.255 2.053 20 0 GEADLO Cc1nnc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)o1 ZINC000787988800 653747304 /nfs/dbraw/zinc/74/73/04/653747304.db2.gz VIBHUDNVZNZJSL-UHFFFAOYSA-N 1 2 394.273 2.074 20 0 GEADLO CN(C)c1ccc(NC(=O)CC[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000819345593 653749565 /nfs/dbraw/zinc/74/95/65/653749565.db2.gz KODKZIPKEJJYAE-UHFFFAOYSA-N 1 2 380.290 2.367 20 0 GEADLO C[C@@](O)(C[NH2+]Cc1nc2ncccn2n1)c1ccc(Br)cc1F ZINC000819371431 653749777 /nfs/dbraw/zinc/74/97/77/653749777.db2.gz JXEDRZNROCXUJC-OAHLLOKOSA-N 1 2 380.221 2.023 20 0 GEADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000864990535 653750598 /nfs/dbraw/zinc/75/05/98/653750598.db2.gz UQKUSLOTQXFFFR-HNNXBMFYSA-N 1 2 375.226 2.272 20 0 GEADLO C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000881959485 653753140 /nfs/dbraw/zinc/75/31/40/653753140.db2.gz BGTZOSQFYZDCLQ-HZMBPMFUSA-N 1 2 378.281 2.231 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000881986566 653755186 /nfs/dbraw/zinc/75/51/86/653755186.db2.gz MZJUXHQKSCMEFD-OZYPNJIESA-N 1 2 388.559 2.441 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3ccc(Br)cc3c2)CC1 ZINC000865163199 653755556 /nfs/dbraw/zinc/75/55/56/653755556.db2.gz GGRMGNQQYIBJLC-UHFFFAOYSA-N 1 2 390.281 2.236 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)c2ccc3ccc(Br)cc3c2)CC1 ZINC000865163199 653755560 /nfs/dbraw/zinc/75/55/60/653755560.db2.gz GGRMGNQQYIBJLC-UHFFFAOYSA-N 1 2 390.281 2.236 20 0 GEADLO C[C@@H](c1nnc(SCCn2cnnn2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000882029191 653758041 /nfs/dbraw/zinc/75/80/41/653758041.db2.gz BZAULAFNLZFSPW-NSHDSACASA-N 1 2 378.893 2.322 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1Cl ZINC000788598721 653760379 /nfs/dbraw/zinc/76/03/79/653760379.db2.gz JALZOUVUMNZZMD-SECBINFHSA-N 1 2 378.903 2.012 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1Cl ZINC000788598721 653760380 /nfs/dbraw/zinc/76/03/80/653760380.db2.gz JALZOUVUMNZZMD-SECBINFHSA-N 1 2 378.903 2.012 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882151954 653766247 /nfs/dbraw/zinc/76/62/47/653766247.db2.gz IIZRGDLXGDNJAA-DTWKUNHWSA-N 1 2 383.212 2.097 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882151954 653766249 /nfs/dbraw/zinc/76/62/49/653766249.db2.gz IIZRGDLXGDNJAA-DTWKUNHWSA-N 1 2 383.212 2.097 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)/C=C\c2cccc(Br)c2)C1 ZINC000842878530 653771538 /nfs/dbraw/zinc/77/15/38/653771538.db2.gz CGYBPYJJEZLWBK-PODYEWJSSA-N 1 2 377.279 2.383 20 0 GEADLO COc1nc(Br)ccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000789386797 653773546 /nfs/dbraw/zinc/77/35/46/653773546.db2.gz HJOGPYICAYRDHB-LBPRGKRZSA-N 1 2 399.289 2.181 20 0 GEADLO CC(=O)Nc1ccccc1C[NH2+]Cc1c(I)cnn1C ZINC000865868080 653777903 /nfs/dbraw/zinc/77/79/03/653777903.db2.gz GMDJWZRPVHKJIZ-UHFFFAOYSA-N 1 2 384.221 2.273 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1cccc2c1OCCO2 ZINC000865868487 653778109 /nfs/dbraw/zinc/77/81/09/653778109.db2.gz PECXFNRFRWKUEN-UHFFFAOYSA-N 1 2 385.205 2.086 20 0 GEADLO Cn1cc(C[NH2+]Cc2c(I)cnn2C)c(C(C)(C)C)n1 ZINC000865868882 653778285 /nfs/dbraw/zinc/77/82/85/653778285.db2.gz PQAYEYVCTRIQFK-UHFFFAOYSA-N 1 2 387.269 2.346 20 0 GEADLO CCOc1ccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)cc1Cl ZINC000789599317 653778559 /nfs/dbraw/zinc/77/85/59/653778559.db2.gz OPMYQTDWPGTLCW-UHFFFAOYSA-N 1 2 385.211 2.045 20 0 GEADLO CC(C)[C@@H]([NH3+])c1noc(CNS(=O)(=O)c2ccc(Br)s2)n1 ZINC000843152261 653780425 /nfs/dbraw/zinc/78/04/25/653780425.db2.gz DTWLXNMGAKBFMY-SNVBAGLBSA-N 1 2 395.304 2.028 20 0 GEADLO CC[NH2+]Cc1noc(CCCS(=O)(=O)c2cccc(Br)c2)n1 ZINC000843144167 653780469 /nfs/dbraw/zinc/78/04/69/653780469.db2.gz UVWOSFUDHUDTAS-UHFFFAOYSA-N 1 2 388.287 2.348 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)no1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000865942005 653780839 /nfs/dbraw/zinc/78/08/39/653780839.db2.gz MJXFCQXBURZJTA-WFASDCNBSA-N 1 2 394.269 2.456 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)no1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000865942005 653780841 /nfs/dbraw/zinc/78/08/41/653780841.db2.gz MJXFCQXBURZJTA-WFASDCNBSA-N 1 2 394.269 2.456 20 0 GEADLO O=S(=O)(NCCNc1cccc[nH+]1)c1cnc(Cl)c(Br)c1 ZINC000820793584 653783524 /nfs/dbraw/zinc/78/35/24/653783524.db2.gz BBHRQYUFCRDRNQ-UHFFFAOYSA-N 1 2 391.678 2.283 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)NCC1(c2ccccc2Br)CC1 ZINC000866031686 653784343 /nfs/dbraw/zinc/78/43/43/653784343.db2.gz JRAKHEBHUBFPNY-UTCJRWHESA-N 1 2 379.298 2.485 20 0 GEADLO COc1cc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cnc1Br ZINC000790123503 653787160 /nfs/dbraw/zinc/78/71/60/653787160.db2.gz FRIAXLGOTQBREV-UHFFFAOYSA-N 1 2 386.290 2.036 20 0 GEADLO COc1cc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cnc1Br ZINC000790123503 653787162 /nfs/dbraw/zinc/78/71/62/653787162.db2.gz FRIAXLGOTQBREV-UHFFFAOYSA-N 1 2 386.290 2.036 20 0 GEADLO CCn1ncc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1Br ZINC000820975522 653787980 /nfs/dbraw/zinc/78/79/80/653787980.db2.gz RBIOWWXDGAZGSI-ZIAGYGMSSA-N 1 2 385.306 2.039 20 0 GEADLO C[C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)Oc1cccc(Br)c1 ZINC000866169627 653787967 /nfs/dbraw/zinc/78/79/67/653787967.db2.gz YRRFPTGGNVHZFV-BOTMBNHJSA-N 1 2 383.286 2.221 20 0 GEADLO O=C(c1nc(Br)c2ccccn21)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000821021464 653789018 /nfs/dbraw/zinc/78/90/18/653789018.db2.gz PSQKFHHFXVKMMD-CYBMUJFWSA-N 1 2 393.285 2.034 20 0 GEADLO COC(=O)c1ccoc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000866408792 653793537 /nfs/dbraw/zinc/79/35/37/653793537.db2.gz DVVPKSWPBCJUQL-ZDUSSCGKSA-N 1 2 384.479 2.243 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCn2cnc(Br)n2)C1 ZINC000821367515 653796212 /nfs/dbraw/zinc/79/62/12/653796212.db2.gz AYGNUZLUDMQFQS-LBPRGKRZSA-N 1 2 388.310 2.372 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCn2cnc(Br)n2)C1 ZINC000821367515 653796213 /nfs/dbraw/zinc/79/62/13/653796213.db2.gz AYGNUZLUDMQFQS-LBPRGKRZSA-N 1 2 388.310 2.372 20 0 GEADLO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000866545995 653801699 /nfs/dbraw/zinc/80/16/99/653801699.db2.gz RHDKMFKCJJMTEI-XOYOTBSWSA-N 1 2 391.309 2.268 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000882736980 653802038 /nfs/dbraw/zinc/80/20/38/653802038.db2.gz XGOLBIORKBFBEO-BONVTDFDSA-N 1 2 391.269 2.421 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000882736980 653802039 /nfs/dbraw/zinc/80/20/39/653802039.db2.gz XGOLBIORKBFBEO-BONVTDFDSA-N 1 2 391.269 2.421 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000882736982 653802110 /nfs/dbraw/zinc/80/21/10/653802110.db2.gz XGOLBIORKBFBEO-ZUZCIYMTSA-N 1 2 391.269 2.421 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000882736982 653802114 /nfs/dbraw/zinc/80/21/14/653802114.db2.gz XGOLBIORKBFBEO-ZUZCIYMTSA-N 1 2 391.269 2.421 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000844138743 653802363 /nfs/dbraw/zinc/80/23/63/653802363.db2.gz JNGCCLVUMXLPAH-LSDHHAIUSA-N 1 2 392.253 2.033 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)cnc1C1CC1 ZINC000821703618 653803376 /nfs/dbraw/zinc/80/33/76/653803376.db2.gz CEGFNQWNXHJNRY-OKILXGFUSA-N 1 2 380.286 2.315 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)cnc1C1CC1 ZINC000821703618 653803379 /nfs/dbraw/zinc/80/33/79/653803379.db2.gz CEGFNQWNXHJNRY-OKILXGFUSA-N 1 2 380.286 2.315 20 0 GEADLO O=C(Cc1cccnc1Br)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000791358071 653810324 /nfs/dbraw/zinc/81/03/24/653810324.db2.gz FFODHLSYFKIBPG-OAHLLOKOSA-N 1 2 382.302 2.100 20 0 GEADLO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882838235 653813220 /nfs/dbraw/zinc/81/32/20/653813220.db2.gz BJVGMNHJYMLSSY-MYYSRTQBSA-N 1 2 384.527 2.355 20 0 GEADLO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1=S ZINC000844744911 653816513 /nfs/dbraw/zinc/81/65/13/653816513.db2.gz TXOYORRPXOANOF-CJBBJWSSSA-N 1 2 385.603 2.390 20 0 GEADLO CS(C)(=O)=NS(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000866747874 653818750 /nfs/dbraw/zinc/81/87/50/653818750.db2.gz WXSNNGGNHGMAAO-UHFFFAOYSA-N 1 2 393.962 2.114 20 0 GEADLO COC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(Br)c1 ZINC000822321007 653823060 /nfs/dbraw/zinc/82/30/60/653823060.db2.gz UYNLGAZHCWXEFZ-VXGBXAGGSA-N 1 2 378.226 2.379 20 0 GEADLO COC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(Br)c1 ZINC000822321007 653823062 /nfs/dbraw/zinc/82/30/62/653823062.db2.gz UYNLGAZHCWXEFZ-VXGBXAGGSA-N 1 2 378.226 2.379 20 0 GEADLO Nc1cc(COC(=O)CS(=O)(=O)Cc2cccc(Br)c2)cc[nH+]1 ZINC000791774861 653823750 /nfs/dbraw/zinc/82/37/50/653823750.db2.gz ILHGMBRLEJXOBB-UHFFFAOYSA-N 1 2 399.266 2.085 20 0 GEADLO COc1cc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)cc(Br)c1OC(F)F ZINC000895332674 653828347 /nfs/dbraw/zinc/82/83/47/653828347.db2.gz YKUSFYXRYJCEKX-MEBBXXQBSA-N 1 2 396.228 2.377 20 0 GEADLO COc1cc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)cc(Br)c1OC(F)F ZINC000895332674 653828350 /nfs/dbraw/zinc/82/83/50/653828350.db2.gz YKUSFYXRYJCEKX-MEBBXXQBSA-N 1 2 396.228 2.377 20 0 GEADLO CS(=O)(=O)c1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1Br ZINC000792089842 653834684 /nfs/dbraw/zinc/83/46/84/653834684.db2.gz HZMJOKCIEGNVST-UHFFFAOYSA-N 1 2 385.239 2.187 20 0 GEADLO C[C@@H]1C[C@@H]([NH2+]Cc2nnc3n2CCNC3=O)c2cccc(Br)c21 ZINC000883303201 653834874 /nfs/dbraw/zinc/83/48/74/653834874.db2.gz RJAGBRGBVLLOQN-BXKDBHETSA-N 1 2 376.258 2.122 20 0 GEADLO O=C1NCCn2c(C[NH2+][C@@H](c3ccc(Br)s3)C3CC3)nnc21 ZINC000883304475 653835207 /nfs/dbraw/zinc/83/52/07/653835207.db2.gz XYGPFNLGGNXROL-GFCCVEGCSA-N 1 2 382.287 2.086 20 0 GEADLO CC(C)(COc1ncccc1Br)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866839704 653836310 /nfs/dbraw/zinc/83/63/10/653836310.db2.gz JLMASMGALSWKET-XQRVVYSFSA-N 1 2 398.301 2.006 20 0 GEADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1nc(Br)cs1 ZINC000792230747 653838551 /nfs/dbraw/zinc/83/85/51/653838551.db2.gz ZEUZAITXCWRZMT-UHFFFAOYSA-N 1 2 395.326 2.458 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000866864459 653840421 /nfs/dbraw/zinc/84/04/21/653840421.db2.gz ITQFVHNSXHFMFL-HXZRUIPCSA-N 1 2 379.573 2.083 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000866864459 653840423 /nfs/dbraw/zinc/84/04/23/653840423.db2.gz ITQFVHNSXHFMFL-HXZRUIPCSA-N 1 2 379.573 2.083 20 0 GEADLO CNS(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc(SC)o3)CC2)cc1 ZINC000895559991 653840915 /nfs/dbraw/zinc/84/09/15/653840915.db2.gz ACBFBDCYTMAIKP-UHFFFAOYSA-N 1 2 381.523 2.232 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)Cc1ccc(F)cc1Cl)[NH+]1CCN(C)CC1 ZINC000866873439 653841116 /nfs/dbraw/zinc/84/11/16/653841116.db2.gz SCISTDSHZJOQQG-KRWDZBQOSA-N 1 2 391.940 2.171 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000866920841 653849861 /nfs/dbraw/zinc/84/98/61/653849861.db2.gz XTJFYAKIMFLVHY-NVXWUHKLSA-N 1 2 387.571 2.239 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000866920841 653849863 /nfs/dbraw/zinc/84/98/63/653849863.db2.gz XTJFYAKIMFLVHY-NVXWUHKLSA-N 1 2 387.571 2.239 20 0 GEADLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895837732 653852098 /nfs/dbraw/zinc/85/20/98/653852098.db2.gz XQTSUMFZVSDRHD-ZDUSSCGKSA-N 1 2 385.839 2.380 20 0 GEADLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895837732 653852101 /nfs/dbraw/zinc/85/21/01/653852101.db2.gz XQTSUMFZVSDRHD-ZDUSSCGKSA-N 1 2 385.839 2.380 20 0 GEADLO C[C@]1(CS(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1(Cl)Cl ZINC000866970088 653858014 /nfs/dbraw/zinc/85/80/14/653858014.db2.gz XSUWSUGJJICIPA-MGPQQGTHSA-N 1 2 385.357 2.133 20 0 GEADLO OC1CC[NH+](Cc2cn(Cc3cc(Br)cc(F)c3F)nn2)CC1 ZINC000883991100 653859621 /nfs/dbraw/zinc/85/96/21/653859621.db2.gz QOSALGMRROKLKC-UHFFFAOYSA-N 1 2 387.228 2.324 20 0 GEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000823312599 653862247 /nfs/dbraw/zinc/86/22/47/653862247.db2.gz ZPZMWAKXSLMYQP-ZDUSSCGKSA-N 1 2 384.889 2.180 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867002106 653863559 /nfs/dbraw/zinc/86/35/59/653863559.db2.gz LGNUILITNRDSPX-UHFFFAOYSA-N 1 2 396.340 2.367 20 0 GEADLO O=C(NCCCCNc1cccc[nH+]1)c1c[nH]nc1I ZINC000896180957 653867415 /nfs/dbraw/zinc/86/74/15/653867415.db2.gz HGIKCPFYLCYUEC-UHFFFAOYSA-N 1 2 385.209 2.031 20 0 GEADLO Cn1cc(C[NH2+]Cc2cc(C(=O)OC(C)(C)C)nn2C)c(Br)n1 ZINC000896281469 653872296 /nfs/dbraw/zinc/87/22/96/653872296.db2.gz LAOPMWGXGLMIJM-UHFFFAOYSA-N 1 2 384.278 2.161 20 0 GEADLO CC(C)(C)n1ncc(C(=O)N2CC(n3cc[nH+]c3)C2)c1I ZINC000896357113 653875968 /nfs/dbraw/zinc/87/59/68/653875968.db2.gz LXFFFSGPDSSWHS-UHFFFAOYSA-N 1 2 399.236 2.136 20 0 GEADLO COC(=O)[C@@](C)(NC(=O)CCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000793473725 653878985 /nfs/dbraw/zinc/87/89/85/653878985.db2.gz GLWLTKCQOQGIQG-KRWDZBQOSA-N 1 2 394.269 2.320 20 0 GEADLO CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=S(=O)(CC)CC ZINC000867107211 653879950 /nfs/dbraw/zinc/87/99/50/653879950.db2.gz RZYVRCPWPUAIQT-QGZVFWFLSA-N 1 2 387.571 2.335 20 0 GEADLO CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N=S(=O)(CC)CC ZINC000867107211 653879953 /nfs/dbraw/zinc/87/99/53/653879953.db2.gz RZYVRCPWPUAIQT-QGZVFWFLSA-N 1 2 387.571 2.335 20 0 GEADLO CC[C@@](O)(CCC(F)(F)F)CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000896597556 653887022 /nfs/dbraw/zinc/88/70/22/653887022.db2.gz SVWBELXYVQTCIB-CQSZACIVSA-N 1 2 382.452 2.488 20 0 GEADLO CN1CC[NH+](CCCS(=O)(=O)Oc2cccc3ccc(Cl)nc32)CC1 ZINC000867164055 653887911 /nfs/dbraw/zinc/88/79/11/653887911.db2.gz KDFXSNGOPZWGPQ-UHFFFAOYSA-N 1 2 383.901 2.234 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000793983903 653890611 /nfs/dbraw/zinc/89/06/11/653890611.db2.gz YAWNUZAWEKJHDL-SNVBAGLBSA-N 1 2 379.498 2.488 20 0 GEADLO O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896721318 653892487 /nfs/dbraw/zinc/89/24/87/653892487.db2.gz MRMOLLGURVLYGG-CQSZACIVSA-N 1 2 378.885 2.442 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2)C1 ZINC000867198351 653892642 /nfs/dbraw/zinc/89/26/42/653892642.db2.gz INDZOIRNWAFQBD-JBEBIEQOSA-N 1 2 382.511 2.001 20 0 GEADLO COC(=O)c1cc(NC(=O)/C=C/C[NH+]2CCOCC2)ccc1Br ZINC000867213867 653895976 /nfs/dbraw/zinc/89/59/76/653895976.db2.gz UJBFAFVCHFBCTG-NSCUHMNNSA-N 1 2 383.242 2.063 20 0 GEADLO COc1cc(NC(=O)/C=C/C[NH+]2CCOCC2)cc(OC)c1Br ZINC000867230173 653898881 /nfs/dbraw/zinc/89/88/81/653898881.db2.gz MELLGRLEOWICIK-ONEGZZNKSA-N 1 2 385.258 2.293 20 0 GEADLO Cc1[nH]c(CNC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)[nH+]c1C ZINC000896914913 653899334 /nfs/dbraw/zinc/89/93/34/653899334.db2.gz DJBLEKUDLZXVGW-UHFFFAOYSA-N 1 2 382.873 2.004 20 0 GEADLO Cc1cnc(Cl)c(S(=O)(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000884976113 653902456 /nfs/dbraw/zinc/90/24/56/653902456.db2.gz KLGGXQPZNUZSJS-ZNMIVQPWSA-N 1 2 387.933 2.306 20 0 GEADLO Cc1cnc(Cl)c(S(=O)(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000884976113 653902463 /nfs/dbraw/zinc/90/24/63/653902463.db2.gz KLGGXQPZNUZSJS-ZNMIVQPWSA-N 1 2 387.933 2.306 20 0 GEADLO O=C(c1cccc2[nH+]ccn21)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000794360015 653905169 /nfs/dbraw/zinc/90/51/69/653905169.db2.gz HOTKYYGXAZVRTI-MRXNPFEDSA-N 1 2 399.248 2.410 20 0 GEADLO C[C@@H]1[C@H](NS(=O)(=O)c2nc[nH]c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000867272832 653907144 /nfs/dbraw/zinc/90/71/44/653907144.db2.gz NULOGPFMCHJLTJ-DGCLKSJQSA-N 1 2 399.314 2.114 20 0 GEADLO C[C@@H]1[C@H](NS(=O)(=O)c2nc[nH]c2Br)CC[N@H+]1Cc1ccccc1 ZINC000867272832 653907148 /nfs/dbraw/zinc/90/71/48/653907148.db2.gz NULOGPFMCHJLTJ-DGCLKSJQSA-N 1 2 399.314 2.114 20 0 GEADLO C[C@@H]1[C@@H](NS(=O)(=O)c2nc[nH]c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000867272834 653907231 /nfs/dbraw/zinc/90/72/31/653907231.db2.gz NULOGPFMCHJLTJ-YPMHNXCESA-N 1 2 399.314 2.114 20 0 GEADLO C[C@@H]1[C@@H](NS(=O)(=O)c2nc[nH]c2Br)CC[N@H+]1Cc1ccccc1 ZINC000867272834 653907234 /nfs/dbraw/zinc/90/72/34/653907234.db2.gz NULOGPFMCHJLTJ-YPMHNXCESA-N 1 2 399.314 2.114 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CC(Cc3ccc(Br)cc3)C2)o1 ZINC000897140118 653909013 /nfs/dbraw/zinc/90/90/13/653909013.db2.gz NCJOENWMMKSGDY-UHFFFAOYSA-N 1 2 385.283 2.364 20 0 GEADLO O=C(CN1CC[NH+](CC2(Br)CC2)CC1)N1CCc2ccccc21 ZINC000846783006 653910381 /nfs/dbraw/zinc/91/03/81/653910381.db2.gz ZXMAQOUWKFPCQJ-UHFFFAOYSA-N 1 2 378.314 2.121 20 0 GEADLO COCCOC[C@@H]1CC[N@H+](Cn2c(=O)oc3cccc(Br)c32)C1 ZINC000794636443 653914702 /nfs/dbraw/zinc/91/47/02/653914702.db2.gz ILDOGWMEWHPJIQ-GFCCVEGCSA-N 1 2 385.258 2.299 20 0 GEADLO COCCOC[C@@H]1CC[N@@H+](Cn2c(=O)oc3cccc(Br)c32)C1 ZINC000794636443 653914706 /nfs/dbraw/zinc/91/47/06/653914706.db2.gz ILDOGWMEWHPJIQ-GFCCVEGCSA-N 1 2 385.258 2.299 20 0 GEADLO COc1ccc(Cl)cc1-c1nc(=S)n(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)[nH]1 ZINC000794710108 653917395 /nfs/dbraw/zinc/91/73/95/653917395.db2.gz IXVPRCBRDGCFBB-MRXNPFEDSA-N 1 2 381.889 2.424 20 0 GEADLO COc1ccc(Cl)cc1-c1nc(=S)n(C[N@H+]2CC[C@@](C)(C(N)=O)C2)[nH]1 ZINC000794710108 653917396 /nfs/dbraw/zinc/91/73/96/653917396.db2.gz IXVPRCBRDGCFBB-MRXNPFEDSA-N 1 2 381.889 2.424 20 0 GEADLO O=C(NCc1cscc1Cl)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000897400657 653919184 /nfs/dbraw/zinc/91/91/84/653919184.db2.gz BCBKHZCVQPNCQU-UHFFFAOYSA-N 1 2 378.885 2.329 20 0 GEADLO Cc1ccccc1[C@H]1CN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)CC[NH2+]1 ZINC000825163097 653919240 /nfs/dbraw/zinc/91/92/40/653919240.db2.gz RVLBTIZWFRUGHV-CYBMUJFWSA-N 1 2 399.925 2.144 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c(Cl)cc1Cl ZINC000795277275 653941924 /nfs/dbraw/zinc/94/19/24/653941924.db2.gz BULXYZBFRIPAFJ-UHFFFAOYSA-N 1 2 393.292 2.320 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c(Cl)cc1Cl ZINC000795277275 653941927 /nfs/dbraw/zinc/94/19/27/653941927.db2.gz BULXYZBFRIPAFJ-UHFFFAOYSA-N 1 2 393.292 2.320 20 0 GEADLO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1c(Br)c(C)nn1C ZINC000897987391 653948778 /nfs/dbraw/zinc/94/87/78/653948778.db2.gz PVRZNLIRDPLBNM-SNVBAGLBSA-N 1 2 382.262 2.099 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1ccc(C(F)(F)Br)nc1)[NH+]1CCOCC1 ZINC000826571967 653953491 /nfs/dbraw/zinc/95/34/91/653953491.db2.gz MOHBEPLSYQXAPQ-WDEREUQCSA-N 1 2 392.244 2.365 20 0 GEADLO C[C@@H](NC(=O)c1ccc(C(F)(F)Br)nc1)[C@@H](C)[NH+]1CCOCC1 ZINC000826571956 653953586 /nfs/dbraw/zinc/95/35/86/653953586.db2.gz MOHBEPLSYQXAPQ-GHMZBOCLSA-N 1 2 392.244 2.365 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1nc(Cl)sc1Cl)C2 ZINC000848057721 653957461 /nfs/dbraw/zinc/95/74/61/653957461.db2.gz ZJTULVYFTZPQRD-QMMMGPOBSA-N 1 2 375.281 2.234 20 0 GEADLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1nc[nH]c1Br ZINC000867679692 653972420 /nfs/dbraw/zinc/97/24/20/653972420.db2.gz IXNGVLXWXHZMBH-UHFFFAOYSA-N 1 2 389.275 2.189 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)NCC(C)(C)n2cc[nH+]c2)c(C)c1Cl ZINC000867723181 653977481 /nfs/dbraw/zinc/97/74/81/653977481.db2.gz ZBRGVAYOEBDBQB-UHFFFAOYSA-N 1 2 391.902 2.407 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000898890909 653990901 /nfs/dbraw/zinc/99/09/01/653990901.db2.gz DQKUQPUSDKRXRT-CYBMUJFWSA-N 1 2 382.258 2.190 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000898889299 653991020 /nfs/dbraw/zinc/99/10/20/653991020.db2.gz UNRZBINDTSYLKH-AWEZNQCLSA-N 1 2 378.270 2.454 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000898896154 653991463 /nfs/dbraw/zinc/99/14/63/653991463.db2.gz MXRFUEBPBWYADH-GRDNDAEWSA-N 1 2 378.270 2.310 20 0 GEADLO O=c1[nH]ccn2c(C[NH2+][C@@H]3CCCOc4c(Br)cccc43)nnc12 ZINC000886702702 653995281 /nfs/dbraw/zinc/99/52/81/653995281.db2.gz BDECHLGPMITMSL-GFCCVEGCSA-N 1 2 390.241 2.184 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cc2ccc(Br)cc2[nH]1 ZINC000899055807 653997089 /nfs/dbraw/zinc/99/70/89/653997089.db2.gz VQOYQRWUWMBLTH-UHFFFAOYSA-N 1 2 394.269 2.109 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cc2ccc(Br)cc2[nH]1 ZINC000899055807 653997091 /nfs/dbraw/zinc/99/70/91/653997091.db2.gz VQOYQRWUWMBLTH-UHFFFAOYSA-N 1 2 394.269 2.109 20 0 GEADLO CCc1sc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1Br ZINC000899062063 653997953 /nfs/dbraw/zinc/99/79/53/653997953.db2.gz RGZCPESRZAOLGS-UHFFFAOYSA-N 1 2 389.315 2.252 20 0 GEADLO CCc1sc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1Br ZINC000899062063 653997956 /nfs/dbraw/zinc/99/79/56/653997956.db2.gz RGZCPESRZAOLGS-UHFFFAOYSA-N 1 2 389.315 2.252 20 0 GEADLO Cc1cn(C(C)(C)C(=O)NN2Cc3ccc(Br)cc3C2=O)c[nH+]1 ZINC000899131232 654000624 /nfs/dbraw/zinc/00/06/24/654000624.db2.gz OISNTNBKVNSTNT-UHFFFAOYSA-N 1 2 377.242 2.376 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(Nc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000849164502 654006267 /nfs/dbraw/zinc/00/62/67/654006267.db2.gz MTYSXQKDJVUNKG-UHFFFAOYSA-N 1 2 384.889 2.311 20 0 GEADLO CCn1cc(C[NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)nn1 ZINC000849321796 654012813 /nfs/dbraw/zinc/01/28/13/654012813.db2.gz BFNHZBXPUWCZMT-HNNXBMFYSA-N 1 2 378.274 2.264 20 0 GEADLO COc1cccc([C@@H]2CN(C(=O)c3ccc(Br)[nH]c3=O)CC[NH2+]2)c1 ZINC000827944017 654013835 /nfs/dbraw/zinc/01/38/35/654013835.db2.gz UOJISQWGJDKBSL-AWEZNQCLSA-N 1 2 392.253 2.345 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)NCc2c(Br)cnn2C)c1C ZINC000868181211 654022345 /nfs/dbraw/zinc/02/23/45/654022345.db2.gz FPBSVZLQBLUMCM-UHFFFAOYSA-N 1 2 382.262 2.202 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cn2ccnc12 ZINC000868274659 654026781 /nfs/dbraw/zinc/02/67/81/654026781.db2.gz FZBGYYZIAKEGRC-OCCSQVGLSA-N 1 2 393.285 2.032 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)Oc1c(F)cccc1OC(F)(F)F ZINC000849425433 654031888 /nfs/dbraw/zinc/03/18/88/654031888.db2.gz USQBPYUZUJSSGK-UHFFFAOYSA-N 1 2 387.351 2.155 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CCO1 ZINC000797443319 654032189 /nfs/dbraw/zinc/03/21/89/654032189.db2.gz TUKHQUIMPGZXPN-IVMMDQJWSA-N 1 2 382.302 2.325 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CCO1 ZINC000797443319 654032191 /nfs/dbraw/zinc/03/21/91/654032191.db2.gz TUKHQUIMPGZXPN-IVMMDQJWSA-N 1 2 382.302 2.325 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1(n2cc(Br)cn2)CC1 ZINC000828487005 654037409 /nfs/dbraw/zinc/03/74/09/654037409.db2.gz DUXMVXLDWZBEED-HNNXBMFYSA-N 1 2 375.270 2.438 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1(n2cc(Br)cn2)CC1 ZINC000828487005 654037414 /nfs/dbraw/zinc/03/74/14/654037414.db2.gz DUXMVXLDWZBEED-HNNXBMFYSA-N 1 2 375.270 2.438 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000868587804 654045092 /nfs/dbraw/zinc/04/50/92/654045092.db2.gz XDQYFQLUEQBAHG-OWOJBTEDSA-N 1 2 386.279 2.327 20 0 GEADLO CC(C)n1ncc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1Br ZINC000868631514 654047015 /nfs/dbraw/zinc/04/70/15/654047015.db2.gz JZJAZPLMKCZTLY-ZDUSSCGKSA-N 1 2 385.306 2.163 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000798168560 654052393 /nfs/dbraw/zinc/05/23/93/654052393.db2.gz KXDBQKBITIQCTQ-JTQLQIEISA-N 1 2 396.504 2.358 20 0 GEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1ccsc1Cl ZINC000849769639 654055615 /nfs/dbraw/zinc/05/56/15/654055615.db2.gz LRFYCZHAAYJFJD-CQSZACIVSA-N 1 2 386.901 2.158 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000829861948 654082467 /nfs/dbraw/zinc/08/24/67/654082467.db2.gz ACJRWNBMGLFGHR-ZYHUDNBSSA-N 1 2 376.400 2.335 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000829861948 654082471 /nfs/dbraw/zinc/08/24/71/654082471.db2.gz ACJRWNBMGLFGHR-ZYHUDNBSSA-N 1 2 376.400 2.335 20 0 GEADLO COC(=O)C[N@H+](CCC(=O)N(C)OC)CCc1ccc(Cl)cc1Cl ZINC000799123285 654085238 /nfs/dbraw/zinc/08/52/38/654085238.db2.gz SNTVVVSUSQOCMI-UHFFFAOYSA-N 1 2 377.268 2.421 20 0 GEADLO COC(=O)C[N@@H+](CCC(=O)N(C)OC)CCc1ccc(Cl)cc1Cl ZINC000799123285 654085244 /nfs/dbraw/zinc/08/52/44/654085244.db2.gz SNTVVVSUSQOCMI-UHFFFAOYSA-N 1 2 377.268 2.421 20 0 GEADLO CCc1[nH]nc(C(=O)N(CCOC)CC2CC[NH+](C)CC2)c1Br ZINC000869763144 654120789 /nfs/dbraw/zinc/12/07/89/654120789.db2.gz RVGYHFBMIMWRIU-UHFFFAOYSA-N 1 2 387.322 2.165 20 0 GEADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870075089 654142635 /nfs/dbraw/zinc/14/26/35/654142635.db2.gz OXBOUWBAZYQCRE-GOEBONIOSA-N 1 2 384.929 2.380 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Br)c2)[C@@H](C)C[N@@H+]1C ZINC000831010813 654155802 /nfs/dbraw/zinc/15/58/02/654155802.db2.gz ZEAYWNZEDGKMTL-BDAKNGLRSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Br)c2)[C@@H](C)C[N@H+]1C ZINC000831010813 654155806 /nfs/dbraw/zinc/15/58/06/654155806.db2.gz ZEAYWNZEDGKMTL-BDAKNGLRSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@H](C(=O)Nc1nc2cc(Br)c(F)cc2[nH]1)N1CC[NH+](C)CC1 ZINC000889648556 654156301 /nfs/dbraw/zinc/15/63/01/654156301.db2.gz YCNMCYVENNTNNP-SECBINFHSA-N 1 2 384.253 2.039 20 0 GEADLO O=C(COC(=O)[C@H]1CC1(Cl)Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000918954214 654166693 /nfs/dbraw/zinc/16/66/93/654166693.db2.gz VCUHPRHDPPGZTD-GFCCVEGCSA-N 1 2 377.293 2.129 20 0 GEADLO C[NH+](C)[C@H](C(=O)N1CC(CNC(=O)C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000831145255 654166878 /nfs/dbraw/zinc/16/68/78/654166878.db2.gz SRISKELSMCNQQP-ZDUSSCGKSA-N 1 2 377.794 2.080 20 0 GEADLO Cc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c(Cl)n1 ZINC000800925441 654167922 /nfs/dbraw/zinc/16/79/22/654167922.db2.gz JGUZRLYECPUIMT-UHFFFAOYSA-N 1 2 382.873 2.005 20 0 GEADLO CN(CCCc1c[nH+]cn1C)S(=O)(=O)c1ccc(Br)s1 ZINC000902220721 654168160 /nfs/dbraw/zinc/16/81/60/654168160.db2.gz JDYYOYSPOVJHMB-UHFFFAOYSA-N 1 2 378.317 2.497 20 0 GEADLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851720458 654172178 /nfs/dbraw/zinc/17/21/78/654172178.db2.gz KLQGTPVSTDTHLU-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851720458 654172183 /nfs/dbraw/zinc/17/21/83/654172183.db2.gz KLQGTPVSTDTHLU-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO CC1(C)OC[C@H](C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)O1 ZINC000851743492 654173910 /nfs/dbraw/zinc/17/39/10/654173910.db2.gz URKSDKFMNZYHSI-LBPRGKRZSA-N 1 2 394.946 2.249 20 0 GEADLO CC1(C)OC[C@H](C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)O1 ZINC000851743492 654173913 /nfs/dbraw/zinc/17/39/13/654173913.db2.gz URKSDKFMNZYHSI-LBPRGKRZSA-N 1 2 394.946 2.249 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@H+](Cn3c(=O)sc4c3CCCC4)C2)s1 ZINC000902439688 654178101 /nfs/dbraw/zinc/17/81/01/654178101.db2.gz UMVVXDCSXQAIRX-LLVKDONJSA-N 1 2 379.507 2.479 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cn3c(=O)sc4c3CCCC4)C2)s1 ZINC000902439688 654178103 /nfs/dbraw/zinc/17/81/03/654178103.db2.gz UMVVXDCSXQAIRX-LLVKDONJSA-N 1 2 379.507 2.479 20 0 GEADLO O=C(NCc1n[nH]cc1Br)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000919552586 654183944 /nfs/dbraw/zinc/18/39/44/654183944.db2.gz UGJPTRCVPWZDQT-UHFFFAOYSA-N 1 2 379.262 2.353 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000919981644 654197765 /nfs/dbraw/zinc/19/77/65/654197765.db2.gz ODYLULPDKXCLBF-ZWNOBZJWSA-N 1 2 399.866 2.271 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@H]1C[N@@H+](C)CCN1C ZINC000919981644 654197768 /nfs/dbraw/zinc/19/77/68/654197768.db2.gz ODYLULPDKXCLBF-ZWNOBZJWSA-N 1 2 399.866 2.271 20 0 GEADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC000801508941 654199683 /nfs/dbraw/zinc/19/96/83/654199683.db2.gz WKVCUYLFQZRQPJ-QGZVFWFLSA-N 1 2 389.949 2.232 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000920020603 654199784 /nfs/dbraw/zinc/19/97/84/654199784.db2.gz NJXNZGXXNXTAQU-MFKMUULPSA-N 1 2 399.866 2.271 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCN1C ZINC000920020603 654199787 /nfs/dbraw/zinc/19/97/87/654199787.db2.gz NJXNZGXXNXTAQU-MFKMUULPSA-N 1 2 399.866 2.271 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cn(C)nn3)C2=O)ccc1Br ZINC000902953845 654205545 /nfs/dbraw/zinc/20/55/45/654205545.db2.gz LORTYXOMIBFMTO-BXUZGUMPSA-N 1 2 378.274 2.342 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)NC[C@@H](O)c1cccc(Br)c1 ZINC000801745952 654207477 /nfs/dbraw/zinc/20/74/77/654207477.db2.gz AJLKAUGYFCBPQH-OAHLLOKOSA-N 1 2 381.274 2.459 20 0 GEADLO Cn1ncc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)c1Br ZINC000903109846 654217159 /nfs/dbraw/zinc/21/71/59/654217159.db2.gz WRSSKADQBSEYKR-UHFFFAOYSA-N 1 2 399.192 2.335 20 0 GEADLO O=S(=O)(c1cccc2nsnc21)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920614018 654217253 /nfs/dbraw/zinc/21/72/53/654217253.db2.gz DCSVNURGOVHJDZ-UHFFFAOYSA-N 1 2 375.479 2.352 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)cs1 ZINC000920624186 654217382 /nfs/dbraw/zinc/21/73/82/654217382.db2.gz DHUHTZVCASMQCP-UHFFFAOYSA-N 1 2 381.479 2.195 20 0 GEADLO O=C1C[C@]2(CC[N@@H+](CCn3cnc(Br)n3)C2)Oc2ccccc21 ZINC000852173433 654223010 /nfs/dbraw/zinc/22/30/10/654223010.db2.gz SZFPSVATXQCWGM-INIZCTEOSA-N 1 2 377.242 2.151 20 0 GEADLO O=C1C[C@]2(CC[N@H+](CCn3cnc(Br)n3)C2)Oc2ccccc21 ZINC000852173433 654223017 /nfs/dbraw/zinc/22/30/17/654223017.db2.gz SZFPSVATXQCWGM-INIZCTEOSA-N 1 2 377.242 2.151 20 0 GEADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000802235787 654223251 /nfs/dbraw/zinc/22/32/51/654223251.db2.gz RVMOONUUAQHJKU-ZDUSSCGKSA-N 1 2 390.864 2.081 20 0 GEADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000802235787 654223255 /nfs/dbraw/zinc/22/32/55/654223255.db2.gz RVMOONUUAQHJKU-ZDUSSCGKSA-N 1 2 390.864 2.081 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@@H+](Cc1cccc(Cl)c1F)C[C@H](O)CO ZINC000852180785 654224121 /nfs/dbraw/zinc/22/41/21/654224121.db2.gz YREBWOPWJLFQNU-ZDUSSCGKSA-N 1 2 376.856 2.159 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@H+](Cc1cccc(Cl)c1F)C[C@H](O)CO ZINC000852180785 654224123 /nfs/dbraw/zinc/22/41/23/654224123.db2.gz YREBWOPWJLFQNU-ZDUSSCGKSA-N 1 2 376.856 2.159 20 0 GEADLO O=C(/C=C\c1ccc(Br)o1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871220229 654225051 /nfs/dbraw/zinc/22/50/51/654225051.db2.gz MQYQTUJMYSBRHU-RQOWECAXSA-N 1 2 391.269 2.232 20 0 GEADLO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921092109 654235406 /nfs/dbraw/zinc/23/54/06/654235406.db2.gz BOXYPUZLVTXUGS-UHFFFAOYSA-N 1 2 385.559 2.153 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)C2=Cc3ccccc3OCC2)n1 ZINC000921093253 654235717 /nfs/dbraw/zinc/23/57/17/654235717.db2.gz MWNMRPMBTJBNJN-UHFFFAOYSA-N 1 2 379.507 2.448 20 0 GEADLO COc1cc(S(=O)(=O)NCc2nc(C[NH+](C)C)cs2)ccc1Cl ZINC000921093589 654235732 /nfs/dbraw/zinc/23/57/32/654235732.db2.gz QDFZPRUATKVKHL-UHFFFAOYSA-N 1 2 375.903 2.345 20 0 GEADLO CNC(=O)CC1CC[NH+](CN2Cc3ccc(Br)cc3C2=O)CC1 ZINC000802733386 654238047 /nfs/dbraw/zinc/23/80/47/654238047.db2.gz DKWMGOMTVGDXQQ-UHFFFAOYSA-N 1 2 380.286 2.211 20 0 GEADLO COCCO[C@H]1CCC[N@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000802740461 654239821 /nfs/dbraw/zinc/23/98/21/654239821.db2.gz DDGRHWYMSMEYJP-HNNXBMFYSA-N 1 2 383.286 2.490 20 0 GEADLO COCCO[C@H]1CCC[N@@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000802740461 654239826 /nfs/dbraw/zinc/23/98/26/654239826.db2.gz DDGRHWYMSMEYJP-HNNXBMFYSA-N 1 2 383.286 2.490 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2ccnc(Br)c2)CC1 ZINC000871544301 654241886 /nfs/dbraw/zinc/24/18/86/654241886.db2.gz WWBAJRXSOXHGHO-UHFFFAOYSA-N 1 2 398.301 2.380 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2cc(Br)c[nH]2)CC1 ZINC000871541208 654241928 /nfs/dbraw/zinc/24/19/28/654241928.db2.gz MCWDPZKXMWWZRX-UHFFFAOYSA-N 1 2 386.290 2.313 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2ccc(Br)nc2)CC1 ZINC000871544422 654242009 /nfs/dbraw/zinc/24/20/09/654242009.db2.gz ZBCKEYMGBWCDSV-UHFFFAOYSA-N 1 2 398.301 2.380 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cscc1Br ZINC000921320696 654246773 /nfs/dbraw/zinc/24/67/73/654246773.db2.gz QJMUSPOFSNJAKA-MNOVXSKESA-N 1 2 397.385 2.369 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1cscc1Br ZINC000921320696 654246776 /nfs/dbraw/zinc/24/67/76/654246776.db2.gz QJMUSPOFSNJAKA-MNOVXSKESA-N 1 2 397.385 2.369 20 0 GEADLO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921321553 654247158 /nfs/dbraw/zinc/24/71/58/654247158.db2.gz GQSFQKDYBYCIQK-HOTGVXAUSA-N 1 2 386.587 2.014 20 0 GEADLO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921321553 654247161 /nfs/dbraw/zinc/24/71/61/654247161.db2.gz GQSFQKDYBYCIQK-HOTGVXAUSA-N 1 2 386.587 2.014 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921322505 654247809 /nfs/dbraw/zinc/24/78/09/654247809.db2.gz TZVYCDGZUZJVHT-QWHCGFSZSA-N 1 2 376.931 2.207 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921322505 654247814 /nfs/dbraw/zinc/24/78/14/654247814.db2.gz TZVYCDGZUZJVHT-QWHCGFSZSA-N 1 2 376.931 2.207 20 0 GEADLO C[C@@H]1CC[N@H+](C[C@H](O)COCc2cccs2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852758356 654258941 /nfs/dbraw/zinc/25/89/41/654258941.db2.gz FGRHQXVWJZHFKS-DYEKYZERSA-N 1 2 380.432 2.015 20 0 GEADLO C[C@@H]1CC[N@@H+](C[C@H](O)COCc2cccs2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852758356 654258943 /nfs/dbraw/zinc/25/89/43/654258943.db2.gz FGRHQXVWJZHFKS-DYEKYZERSA-N 1 2 380.432 2.015 20 0 GEADLO C[C@@]1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1(Br)Br ZINC000832518073 654271254 /nfs/dbraw/zinc/27/12/54/654271254.db2.gz VVZXARDZIWHKEL-KWQFWETISA-N 1 2 377.080 2.210 20 0 GEADLO Cc1csc(C)c1S(=O)(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000903642698 654271749 /nfs/dbraw/zinc/27/17/49/654271749.db2.gz FVVYLCLZLMDWNQ-UHFFFAOYSA-N 1 2 379.511 2.186 20 0 GEADLO CN(C)C(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000832550881 654274194 /nfs/dbraw/zinc/27/41/94/654274194.db2.gz VIHFAZHBMCSKLC-IUODEOHRSA-N 1 2 388.281 2.357 20 0 GEADLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000832550881 654274200 /nfs/dbraw/zinc/27/42/00/654274200.db2.gz VIHFAZHBMCSKLC-IUODEOHRSA-N 1 2 388.281 2.357 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CC1(c2ccc(Br)cc2)CC1 ZINC000871906307 654275339 /nfs/dbraw/zinc/27/53/39/654275339.db2.gz BGUDGFRYNYWZLL-AWEZNQCLSA-N 1 2 389.253 2.367 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CC1(c2ccc(Br)cc2)CC1 ZINC000871906307 654275348 /nfs/dbraw/zinc/27/53/48/654275348.db2.gz BGUDGFRYNYWZLL-AWEZNQCLSA-N 1 2 389.253 2.367 20 0 GEADLO CCn1c(C[NH2+][C@H]2CCCCNC2=O)nc(Br)c1Br ZINC000921526510 654278015 /nfs/dbraw/zinc/27/80/15/654278015.db2.gz SOPAOIFBLFSZFM-QMMMGPOBSA-N 1 2 394.111 2.186 20 0 GEADLO CN1C(=O)N(C[C@H]2CN(C)CC[N@@H+]2C)C(=O)[C@H]1c1cccc(Cl)c1Cl ZINC000853086164 654278817 /nfs/dbraw/zinc/27/88/17/654278817.db2.gz FXLUFKRHDFXCHC-IAQYHMDHSA-N 1 2 385.295 2.174 20 0 GEADLO CN1C(=O)N(C[C@H]2CN(C)CC[N@H+]2C)C(=O)[C@H]1c1cccc(Cl)c1Cl ZINC000853086164 654278820 /nfs/dbraw/zinc/27/88/20/654278820.db2.gz FXLUFKRHDFXCHC-IAQYHMDHSA-N 1 2 385.295 2.174 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cn(C(C)(C)C)nc1Br ZINC000803514883 654282489 /nfs/dbraw/zinc/28/24/89/654282489.db2.gz IHLZUAVBRDTTDL-QWHCGFSZSA-N 1 2 399.333 2.336 20 0 GEADLO C[N@H+](CC(=O)N1CCOCC1)Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000891493307 654297581 /nfs/dbraw/zinc/29/75/81/654297581.db2.gz OBDMADHOGWEUKB-UHFFFAOYSA-N 1 2 384.249 2.360 20 0 GEADLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000891493307 654297587 /nfs/dbraw/zinc/29/75/87/654297587.db2.gz OBDMADHOGWEUKB-UHFFFAOYSA-N 1 2 384.249 2.360 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(Br)c[nH]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000921669231 654302293 /nfs/dbraw/zinc/30/22/93/654302293.db2.gz AGMRKTYGLSHTMJ-SNVBAGLBSA-N 1 2 387.303 2.273 20 0 GEADLO O=C([C@@H]1CSC(=O)N1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804268330 654303769 /nfs/dbraw/zinc/30/37/69/654303769.db2.gz CWZJWKFKHAUJFR-NSHDSACASA-N 1 2 399.270 2.092 20 0 GEADLO CCOC(=O)NCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804270477 654304236 /nfs/dbraw/zinc/30/42/36/654304236.db2.gz XWKBCHPNBVSTKS-UHFFFAOYSA-N 1 2 399.245 2.014 20 0 GEADLO O=C(CC1OCCO1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804269337 654304459 /nfs/dbraw/zinc/30/44/59/654304459.db2.gz VZVOGCKDDGVJCF-UHFFFAOYSA-N 1 2 384.230 2.030 20 0 GEADLO CC(C)NC(=O)[C@@H]1CCC[N@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000853601190 654308999 /nfs/dbraw/zinc/30/89/99/654308999.db2.gz FTFAZFKDJNIZLZ-CYBMUJFWSA-N 1 2 379.555 2.413 20 0 GEADLO CC(C)NC(=O)[C@@H]1CCC[N@@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000853601190 654309000 /nfs/dbraw/zinc/30/90/00/654309000.db2.gz FTFAZFKDJNIZLZ-CYBMUJFWSA-N 1 2 379.555 2.413 20 0 GEADLO C[C@@H](CNC(=O)c1nnc(-c2cscn2)o1)[N@@H+]1CCc2sccc2C1 ZINC000904433830 654310387 /nfs/dbraw/zinc/31/03/87/654310387.db2.gz CBKZDPOGIUSZRT-JTQLQIEISA-N 1 2 375.479 2.431 20 0 GEADLO C[C@@H](CNC(=O)c1nnc(-c2cscn2)o1)[N@H+]1CCc2sccc2C1 ZINC000904433830 654310392 /nfs/dbraw/zinc/31/03/92/654310392.db2.gz CBKZDPOGIUSZRT-JTQLQIEISA-N 1 2 375.479 2.431 20 0 GEADLO Cc1nc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)c(C)[nH+]1 ZINC000853671795 654314215 /nfs/dbraw/zinc/31/42/15/654314215.db2.gz IDKTTZIAYUNSTR-GHMZBOCLSA-N 1 2 387.278 2.248 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)NCC1(c2ccc(Br)cc2)CC1 ZINC000834311350 654314683 /nfs/dbraw/zinc/31/46/83/654314683.db2.gz GXNYBHBYYVQQCY-UPHRSURJSA-N 1 2 379.298 2.485 20 0 GEADLO COC[C@]1(c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)CCCC[NH2+]1 ZINC000872177864 654315612 /nfs/dbraw/zinc/31/56/12/654315612.db2.gz HZCOHHODDJGCIO-INIZCTEOSA-N 1 2 385.873 2.312 20 0 GEADLO COC(=O)c1nc(CNc2cc(N3CCSCC3)nc[nH+]2)ccc1Cl ZINC000853805345 654322010 /nfs/dbraw/zinc/32/20/10/654322010.db2.gz OJPAETJLKUVLKY-UHFFFAOYSA-N 1 2 379.873 2.477 20 0 GEADLO COC(=O)c1nc(CNc2cc(N3CCSCC3)[nH+]cn2)ccc1Cl ZINC000853805345 654322013 /nfs/dbraw/zinc/32/20/13/654322013.db2.gz OJPAETJLKUVLKY-UHFFFAOYSA-N 1 2 379.873 2.477 20 0 GEADLO O=C1[C@@H]([NH2+]Cc2nc(Br)c[nH]2)CCN1CCCc1ccccc1 ZINC000921815987 654326835 /nfs/dbraw/zinc/32/68/35/654326835.db2.gz OVAACEYXVCRFRI-AWEZNQCLSA-N 1 2 377.286 2.496 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000872367987 654327284 /nfs/dbraw/zinc/32/72/84/654327284.db2.gz APSZVUADKFKTKD-CQSZACIVSA-N 1 2 375.516 2.236 20 0 GEADLO CC(C)(C)OC(=O)Nc1ccsc1C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000892077188 654327568 /nfs/dbraw/zinc/32/75/68/654327568.db2.gz NMNGXDDXGJPSMX-LLVKDONJSA-N 1 2 375.516 2.219 20 0 GEADLO CC(C)(C)OC(=O)Nc1ccsc1C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000892077188 654327572 /nfs/dbraw/zinc/32/75/72/654327572.db2.gz NMNGXDDXGJPSMX-LLVKDONJSA-N 1 2 375.516 2.219 20 0 GEADLO C[N@H+](Cc1ncc(Br)cc1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000892111055 654329596 /nfs/dbraw/zinc/32/95/96/654329596.db2.gz HODCNAXCYIHPFI-OCCSQVGLSA-N 1 2 377.304 2.337 20 0 GEADLO C[N@@H+](Cc1ncc(Br)cc1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000892111055 654329597 /nfs/dbraw/zinc/32/95/97/654329597.db2.gz HODCNAXCYIHPFI-OCCSQVGLSA-N 1 2 377.304 2.337 20 0 GEADLO C[N@H+](Cc1ncc(Br)cc1O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000892111056 654329628 /nfs/dbraw/zinc/32/96/28/654329628.db2.gz HODCNAXCYIHPFI-TZMCWYRMSA-N 1 2 377.304 2.337 20 0 GEADLO C[N@@H+](Cc1ncc(Br)cc1O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000892111056 654329630 /nfs/dbraw/zinc/32/96/30/654329630.db2.gz HODCNAXCYIHPFI-TZMCWYRMSA-N 1 2 377.304 2.337 20 0 GEADLO CCOC(=O)c1ncc(Br)c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000892159928 654332194 /nfs/dbraw/zinc/33/21/94/654332194.db2.gz PXMDAFFSPQIHGA-UHFFFAOYSA-N 1 2 380.246 2.454 20 0 GEADLO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000872434919 654334509 /nfs/dbraw/zinc/33/45/09/654334509.db2.gz KNNJSGNSCKWMNK-DEOSSOPVSA-N 1 2 387.571 2.166 20 0 GEADLO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000872434919 654334516 /nfs/dbraw/zinc/33/45/16/654334516.db2.gz KNNJSGNSCKWMNK-DEOSSOPVSA-N 1 2 387.571 2.166 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnn(C(C)(C)C)c1Br ZINC000834708879 654344706 /nfs/dbraw/zinc/34/47/06/654344706.db2.gz DAVBXTNHHAXBGF-GFCCVEGCSA-N 1 2 387.322 2.193 20 0 GEADLO C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1nc(Br)cs1 ZINC000834726513 654345240 /nfs/dbraw/zinc/34/52/40/654345240.db2.gz RGHQNRHDERYYIQ-YWVKMMECSA-N 1 2 384.303 2.484 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3C[C@H](CO)C3)[nH+]c12 ZINC000921938819 654345253 /nfs/dbraw/zinc/34/52/53/654345253.db2.gz JYEAZCWGAXCXEC-YEORSEQZSA-N 1 2 381.274 2.018 20 0 GEADLO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872464234 654345517 /nfs/dbraw/zinc/34/55/17/654345517.db2.gz UAPXKHXGZYYDSE-GYCJOSAFSA-N 1 2 387.571 2.334 20 0 GEADLO CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872464234 654345521 /nfs/dbraw/zinc/34/55/21/654345521.db2.gz UAPXKHXGZYYDSE-GYCJOSAFSA-N 1 2 387.571 2.334 20 0 GEADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000872475023 654349504 /nfs/dbraw/zinc/34/95/04/654349504.db2.gz IQZCNLWWRVCNKF-NSHDSACASA-N 1 2 380.432 2.229 20 0 GEADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000872475023 654349508 /nfs/dbraw/zinc/34/95/08/654349508.db2.gz IQZCNLWWRVCNKF-NSHDSACASA-N 1 2 380.432 2.229 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000922079475 654364263 /nfs/dbraw/zinc/36/42/63/654364263.db2.gz PQFVIWJWOVLJGC-QWHCGFSZSA-N 1 2 391.273 2.297 20 0 GEADLO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000835159653 654366820 /nfs/dbraw/zinc/36/68/20/654366820.db2.gz JVAAJHSHIBQDOA-LLVKDONJSA-N 1 2 392.257 2.220 20 0 GEADLO CCOc1ccc(OC[C@H](O)C[NH2+]Cc2ncc(Br)cn2)cc1 ZINC000905668585 654373154 /nfs/dbraw/zinc/37/31/54/654373154.db2.gz PMSUZVHTFQSGIQ-CYBMUJFWSA-N 1 2 382.258 2.167 20 0 GEADLO CC(C)(C)n1ncc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1Br ZINC000854730379 654379442 /nfs/dbraw/zinc/37/94/42/654379442.db2.gz JOHNNNXCUQAICU-ZDUSSCGKSA-N 1 2 399.333 2.337 20 0 GEADLO C[NH+](C)Cc1csc(CN[C@@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000905849622 654384621 /nfs/dbraw/zinc/38/46/21/654384621.db2.gz IZGKBLZRKKUVDZ-CQSZACIVSA-N 1 2 383.315 2.283 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cc3sccc3nc2Cl)CC1 ZINC000855034677 654394574 /nfs/dbraw/zinc/39/45/74/654394574.db2.gz ZANDHEISCSZKKD-UHFFFAOYSA-N 1 2 383.901 2.371 20 0 GEADLO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000922493775 654397267 /nfs/dbraw/zinc/39/72/67/654397267.db2.gz UOCZYLNKQCULTH-UHFFFAOYSA-N 1 2 377.290 2.280 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CN2CCOC2=S)C[C@@H]1C(F)(F)F ZINC000872811190 654397825 /nfs/dbraw/zinc/39/78/25/654397825.db2.gz ZQCOPWNLSWMDTJ-QWRGUYRKSA-N 1 2 383.436 2.196 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CN2CCOC2=S)C[C@@H]1C(F)(F)F ZINC000872811190 654397828 /nfs/dbraw/zinc/39/78/28/654397828.db2.gz ZQCOPWNLSWMDTJ-QWRGUYRKSA-N 1 2 383.436 2.196 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000922515850 654399486 /nfs/dbraw/zinc/39/94/86/654399486.db2.gz LHSCJTWRMDEDSL-CYBMUJFWSA-N 1 2 379.262 2.409 20 0 GEADLO CO[C@@]1(C[NH2+]Cc2csc(COc3ccccc3)n2)CCS(=O)(=O)C1 ZINC000922614985 654403231 /nfs/dbraw/zinc/40/32/31/654403231.db2.gz GYJPTQYCLJPFHW-QGZVFWFLSA-N 1 2 382.507 2.015 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cnc(Cl)c(Br)c1 ZINC000855408626 654417694 /nfs/dbraw/zinc/41/76/94/654417694.db2.gz WXJXBTNGUOLHJF-ZJUUUORDSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cnc(Cl)c(Br)c1 ZINC000855408626 654417698 /nfs/dbraw/zinc/41/76/98/654417698.db2.gz WXJXBTNGUOLHJF-ZJUUUORDSA-N 1 2 376.682 2.337 20 0 GEADLO O=C(Nc1cccc(F)c1Br)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000906131863 654418318 /nfs/dbraw/zinc/41/83/18/654418318.db2.gz UYTCNQBJBZGCLE-RISCZKNCSA-N 1 2 387.249 2.407 20 0 GEADLO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000855636013 654430402 /nfs/dbraw/zinc/43/04/02/654430402.db2.gz LQGMZSSKBBNNHT-ZDUSSCGKSA-N 1 2 377.794 2.229 20 0 GEADLO C[N@H+](CC(=O)[O-])C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923233761 654435602 /nfs/dbraw/zinc/43/56/02/654435602.db2.gz YWGDAVGWCNJRLP-AWEZNQCLSA-N 1 2 391.295 2.214 20 0 GEADLO C[N@@H+](CC(=O)[O-])C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923233761 654435609 /nfs/dbraw/zinc/43/56/09/654435609.db2.gz YWGDAVGWCNJRLP-AWEZNQCLSA-N 1 2 391.295 2.214 20 0 GEADLO Cn1cc(C[N@H+](CCO)CCc2ccccc2)c(I)n1 ZINC000894028187 654440116 /nfs/dbraw/zinc/44/01/16/654440116.db2.gz XCXOFBHOLAOUFS-UHFFFAOYSA-N 1 2 385.249 2.062 20 0 GEADLO Cn1cc(C[N@@H+](CCO)CCc2ccccc2)c(I)n1 ZINC000894028187 654440123 /nfs/dbraw/zinc/44/01/23/654440123.db2.gz XCXOFBHOLAOUFS-UHFFFAOYSA-N 1 2 385.249 2.062 20 0 GEADLO O=C(c1cc(Br)cn(C2CC2)c1=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000906535450 654447171 /nfs/dbraw/zinc/44/71/71/654447171.db2.gz CBJSUZMTBMCMAU-UHFFFAOYSA-N 1 2 390.237 2.244 20 0 GEADLO COc1ccc(OC)c(C[NH2+]Cc2cn(C)nc2I)c1 ZINC000894163522 654451640 /nfs/dbraw/zinc/45/16/40/654451640.db2.gz ZDRAYRMHOAHFCF-UHFFFAOYSA-N 1 2 387.221 2.332 20 0 GEADLO CCC(CC)[C@@H](C(=O)N1CCn2ncc(Br)c2C1)[NH+]1CCOCC1 ZINC000856010116 654454567 /nfs/dbraw/zinc/45/45/67/654454567.db2.gz AEBHIYAVFOOXIM-INIZCTEOSA-N 1 2 399.333 2.125 20 0 GEADLO Nc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(Br)n1 ZINC000873724518 654455071 /nfs/dbraw/zinc/45/50/71/654455071.db2.gz NLGMLOCVEBYPJZ-UHFFFAOYSA-N 1 2 375.270 2.384 20 0 GEADLO Cc1c(C(=O)N2CC(n3cc[nH+]c3)C2)nnn1-c1ccccc1Br ZINC000906696548 654461519 /nfs/dbraw/zinc/46/15/19/654461519.db2.gz HHCBVINKOXSSCU-UHFFFAOYSA-N 1 2 387.241 2.232 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000894374661 654470856 /nfs/dbraw/zinc/47/08/56/654470856.db2.gz JSWCWUXDEIMHEM-MFKMUULPSA-N 1 2 377.270 2.254 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000894374661 654470860 /nfs/dbraw/zinc/47/08/60/654470860.db2.gz JSWCWUXDEIMHEM-MFKMUULPSA-N 1 2 377.270 2.254 20 0 GEADLO Cc1nc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)sc1Br ZINC000894417305 654474013 /nfs/dbraw/zinc/47/40/13/654474013.db2.gz LGWFKOLFVGPONU-XPTSAGLGSA-N 1 2 387.303 2.167 20 0 GEADLO Cc1nc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)sc1Br ZINC000894417305 654474015 /nfs/dbraw/zinc/47/40/15/654474015.db2.gz LGWFKOLFVGPONU-XPTSAGLGSA-N 1 2 387.303 2.167 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cccc(Br)n3)C2)n1 ZINC000856679677 654485603 /nfs/dbraw/zinc/48/56/03/654485603.db2.gz VDXUEEAUBQCSJH-MRXNPFEDSA-N 1 2 381.274 2.359 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cccc(Br)n3)C2)n1 ZINC000856679677 654485606 /nfs/dbraw/zinc/48/56/06/654485606.db2.gz VDXUEEAUBQCSJH-MRXNPFEDSA-N 1 2 381.274 2.359 20 0 GEADLO CCc1[nH]c(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1C(=O)OC ZINC000894607157 654490150 /nfs/dbraw/zinc/49/01/50/654490150.db2.gz PZOAYBGADVHHCX-HNNXBMFYSA-N 1 2 394.269 2.442 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CCO1 ZINC000924129557 654501680 /nfs/dbraw/zinc/50/16/80/654501680.db2.gz HSDLBWHSOVFEIN-SMDDNHRTSA-N 1 2 397.269 2.139 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CCO1 ZINC000924129557 654501684 /nfs/dbraw/zinc/50/16/84/654501684.db2.gz HSDLBWHSOVFEIN-SMDDNHRTSA-N 1 2 397.269 2.139 20 0 GEADLO CCNc1cc(CNc2nc(C(=O)OCC)ncc2Br)cc[nH+]1 ZINC000894873246 654503638 /nfs/dbraw/zinc/50/36/38/654503638.db2.gz OZGMJEHUJVJIQA-UHFFFAOYSA-N 1 2 380.246 2.277 20 0 GEADLO CO[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2I)C12CCC2 ZINC000894917570 654505271 /nfs/dbraw/zinc/50/52/71/654505271.db2.gz NOLRYZZQIUEHSK-RYUDHWBXSA-N 1 2 375.254 2.414 20 0 GEADLO CO[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2I)C12CCC2 ZINC000894917570 654505274 /nfs/dbraw/zinc/50/52/74/654505274.db2.gz NOLRYZZQIUEHSK-RYUDHWBXSA-N 1 2 375.254 2.414 20 0 GEADLO CSC[C@@H]1NC(=O)N(CCc2cn3cc(Br)cc(C)c3[nH+]2)C1=O ZINC000924758042 654523767 /nfs/dbraw/zinc/52/37/67/654523767.db2.gz VTNRKPGUDFOPIK-LBPRGKRZSA-N 1 2 397.298 2.231 20 0 GEADLO CC[C@@H]1CN(C(=O)NCc2nc(C[NH+](C)C)cs2)CCN1CC(F)F ZINC000924776482 654524212 /nfs/dbraw/zinc/52/42/12/654524212.db2.gz JRIXCUGZKDPGGS-CYBMUJFWSA-N 1 2 375.489 2.076 20 0 GEADLO CN(Cc1ccc([S@](C)=O)cc1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924773002 654524344 /nfs/dbraw/zinc/52/43/44/654524344.db2.gz GYRWOWZCHWVPPD-VWLOTQADSA-N 1 2 380.539 2.284 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)N2CCC(C(=O)C(F)(F)F)CC2)n1 ZINC000924777471 654524638 /nfs/dbraw/zinc/52/46/38/654524638.db2.gz PVTHLJKNDKLFSS-UHFFFAOYSA-N 1 2 378.420 2.258 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)oc1Cl ZINC000907306077 654529748 /nfs/dbraw/zinc/52/97/48/654529748.db2.gz SHZWPBMAYZRHNK-NSHDSACASA-N 1 2 376.862 2.015 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)oc1Cl ZINC000907306077 654529752 /nfs/dbraw/zinc/52/97/52/654529752.db2.gz SHZWPBMAYZRHNK-NSHDSACASA-N 1 2 376.862 2.015 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3[C@@H]4CCC(=O)[C@@H]43)[nH+]c12 ZINC000907354336 654535264 /nfs/dbraw/zinc/53/52/64/654535264.db2.gz IXMWVYYWNCTTDL-BPLDGKMQSA-N 1 2 376.254 2.289 20 0 GEADLO COc1cc(Br)cc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000926289693 654566802 /nfs/dbraw/zinc/56/68/02/654566802.db2.gz CNSMTBRVHSUXOR-HZPDHXFCSA-N 1 2 398.301 2.072 20 0 GEADLO COc1cc(Br)cc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000926289693 654566807 /nfs/dbraw/zinc/56/68/07/654566807.db2.gz CNSMTBRVHSUXOR-HZPDHXFCSA-N 1 2 398.301 2.072 20 0 GEADLO CC(C)n1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)nn1 ZINC000926369946 654569553 /nfs/dbraw/zinc/56/95/53/654569553.db2.gz PFGLWNRSTDPPSB-LLVKDONJSA-N 1 2 389.884 2.281 20 0 GEADLO C/C(=C/C(=O)N1CCOc2c(Br)cccc2C1)C[NH+]1CCOCC1 ZINC000907872319 654585784 /nfs/dbraw/zinc/58/57/84/654585784.db2.gz JPJKJOQJYPVLMH-KAMYIIQDSA-N 1 2 395.297 2.449 20 0 GEADLO COc1cccc([C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c2ccccc2Cl)c1 ZINC000927035605 654590476 /nfs/dbraw/zinc/59/04/76/654590476.db2.gz ZWTODZMNYRKSCE-KBXCAEBGSA-N 1 2 383.897 2.433 20 0 GEADLO C[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000927115699 654594564 /nfs/dbraw/zinc/59/45/64/654594564.db2.gz CKKJHPBEDNTSRT-GFCCVEGCSA-N 1 2 381.523 2.317 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2ccc(C3N=NC(=S)O3)cc2)n1 ZINC000927769557 654613239 /nfs/dbraw/zinc/61/32/39/654613239.db2.gz SIBGUTKBGIJAES-UHFFFAOYSA-N 1 2 375.479 2.473 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2[nH]nc(C3CC3)c2Br)n1 ZINC000927770714 654613308 /nfs/dbraw/zinc/61/33/08/654613308.db2.gz BRFYXNMULMZYCX-UHFFFAOYSA-N 1 2 384.303 2.498 20 0 GEADLO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927769582 654613330 /nfs/dbraw/zinc/61/33/30/654613330.db2.gz KHOXIZQENADOMW-NFEOESJKSA-N 1 2 382.555 2.079 20 0 GEADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000928138992 654632561 /nfs/dbraw/zinc/63/25/61/654632561.db2.gz PYSMBFZXNSPWRZ-ZDUSSCGKSA-N 1 2 376.448 2.138 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)C(=O)CNc2cccc[nH+]2)c1 ZINC000908698242 654637853 /nfs/dbraw/zinc/63/78/53/654637853.db2.gz HOAYRILKYFKICA-HNNXBMFYSA-N 1 2 394.269 2.457 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CCO1 ZINC000909702170 654672010 /nfs/dbraw/zinc/67/20/10/654672010.db2.gz HIDDZYDQIQJGRK-YPMHNXCESA-N 1 2 397.269 2.139 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CCO1 ZINC000909702170 654672014 /nfs/dbraw/zinc/67/20/14/654672014.db2.gz HIDDZYDQIQJGRK-YPMHNXCESA-N 1 2 397.269 2.139 20 0 GEADLO Nc1nc(Br)ccc1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000929164980 654674107 /nfs/dbraw/zinc/67/41/07/654674107.db2.gz RYHSTJKSYBXYQP-UHFFFAOYSA-N 1 2 395.223 2.317 20 0 GEADLO C[N@H+](Cc1ccc(Br)nc1N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000929628304 654689107 /nfs/dbraw/zinc/68/91/07/654689107.db2.gz DAOOEXVDCVCYRI-VIFPVBQESA-N 1 2 381.196 2.021 20 0 GEADLO C[N@@H+](Cc1ccc(Br)nc1N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000929628304 654689110 /nfs/dbraw/zinc/68/91/10/654689110.db2.gz DAOOEXVDCVCYRI-VIFPVBQESA-N 1 2 381.196 2.021 20 0 GEADLO CCS[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000930251769 654703039 /nfs/dbraw/zinc/70/30/39/654703039.db2.gz ZDIKMWPMQYKURO-KGLIPLIRSA-N 1 2 384.571 2.001 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)Nc2nnc(CC(F)(F)F)s2)n1 ZINC000930425332 654709668 /nfs/dbraw/zinc/70/96/68/654709668.db2.gz KQQNUNMQIZVSTG-UHFFFAOYSA-N 1 2 380.421 2.483 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)C[C@@H]2CCC3(COC3)O2)c1 ZINC000930625448 654715670 /nfs/dbraw/zinc/71/56/70/654715670.db2.gz WPGQAFXRFPXLBI-XJKSGUPXSA-N 1 2 386.286 2.371 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)C[C@@H]2CCC3(COC3)O2)c1 ZINC000930625448 654715672 /nfs/dbraw/zinc/71/56/72/654715672.db2.gz WPGQAFXRFPXLBI-XJKSGUPXSA-N 1 2 386.286 2.371 20 0 GEADLO C[NH+](C)Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cc1Br ZINC000911491628 654724635 /nfs/dbraw/zinc/72/46/35/654724635.db2.gz ODTLJZYIAQQSAV-CYBMUJFWSA-N 1 2 398.301 2.246 20 0 GEADLO C[NH+](C)Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1Br ZINC000911491628 654724636 /nfs/dbraw/zinc/72/46/36/654724636.db2.gz ODTLJZYIAQQSAV-CYBMUJFWSA-N 1 2 398.301 2.246 20 0 GEADLO Cn1nccc1[C@H](O)C1CC[NH+](Cc2ccc(Br)nc2N)CC1 ZINC000931103870 654729627 /nfs/dbraw/zinc/72/96/27/654729627.db2.gz NRRWRWFERWBJDX-OAHLLOKOSA-N 1 2 380.290 2.105 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCc2c(=O)[nH]n(C)c2C1)c1ccc(Br)cc1 ZINC000931200137 654733509 /nfs/dbraw/zinc/73/35/09/654733509.db2.gz QGJHSBZDWRGDSE-LLVKDONJSA-N 1 2 393.285 2.124 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCc2c(=O)[nH]n(C)c2C1)c1ccc(Br)cc1 ZINC000931200137 654733514 /nfs/dbraw/zinc/73/35/14/654733514.db2.gz QGJHSBZDWRGDSE-LLVKDONJSA-N 1 2 393.285 2.124 20 0 GEADLO [NH3+][C@H](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(F)F ZINC000912014794 654739831 /nfs/dbraw/zinc/73/98/31/654739831.db2.gz PEXYIULABMYBQO-LLVKDONJSA-N 1 2 381.832 2.046 20 0 GEADLO COC1(OC)CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H]1O ZINC000931636402 654750085 /nfs/dbraw/zinc/75/00/85/654750085.db2.gz UCHINJHTMXQSII-HUUCEWRRSA-N 1 2 389.279 2.154 20 0 GEADLO COC1(OC)CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H]1O ZINC000931636402 654750086 /nfs/dbraw/zinc/75/00/86/654750086.db2.gz UCHINJHTMXQSII-HUUCEWRRSA-N 1 2 389.279 2.154 20 0 GEADLO Brc1ccc([C@H]2c3[nH]cnc3CCN2CC[NH+]2CCOCC2)cc1 ZINC000931800412 654757723 /nfs/dbraw/zinc/75/77/23/654757723.db2.gz UEHNLAUONWRZCZ-SFHVURJKSA-N 1 2 391.313 2.452 20 0 GEADLO C[N@H+](CCC(=O)N1CCOc2ccccc21)Cc1ncc(Br)cn1 ZINC000931862482 654759230 /nfs/dbraw/zinc/75/92/30/654759230.db2.gz AAIZIGHBGNUCHH-UHFFFAOYSA-N 1 2 391.269 2.487 20 0 GEADLO C[N@@H+](CCC(=O)N1CCOc2ccccc21)Cc1ncc(Br)cn1 ZINC000931862482 654759231 /nfs/dbraw/zinc/75/92/31/654759231.db2.gz AAIZIGHBGNUCHH-UHFFFAOYSA-N 1 2 391.269 2.487 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000912612463 654761088 /nfs/dbraw/zinc/76/10/88/654761088.db2.gz OCIGLKQHJXYARE-AWEZNQCLSA-N 1 2 377.242 2.056 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCc2ccc(Br)c(F)c2C1 ZINC000932010977 654763861 /nfs/dbraw/zinc/76/38/61/654763861.db2.gz JXAKBOIFQZHEMD-AAEUAGOBSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCc2ccc(Br)c(F)c2C1 ZINC000932010977 654763865 /nfs/dbraw/zinc/76/38/65/654763865.db2.gz JXAKBOIFQZHEMD-AAEUAGOBSA-N 1 2 376.266 2.359 20 0 GEADLO C[C@H](NC(=O)c1cc2cc(Br)cnc2n1C)[C@H](C)[NH+]1CCOCC1 ZINC000932054236 654764710 /nfs/dbraw/zinc/76/47/10/654764710.db2.gz IOZXJBZQGWEVHM-RYUDHWBXSA-N 1 2 395.301 2.175 20 0 GEADLO O=C(c1cnc(CCC(F)(F)F)s1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000932162955 654768834 /nfs/dbraw/zinc/76/88/34/654768834.db2.gz SALYQIKFHGKSOZ-NWDGAFQWSA-N 1 2 377.432 2.309 20 0 GEADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)Nc1n[nH]cc1I ZINC000912886766 654772756 /nfs/dbraw/zinc/77/27/56/654772756.db2.gz HMGHKDVDNBQKNQ-SSDOTTSWSA-N 1 2 399.114 2.343 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@H+](CCS(=O)(=O)C3CCCCC3)C2)s1 ZINC000932671680 654785291 /nfs/dbraw/zinc/78/52/91/654785291.db2.gz UTMPEAXYFMQIOT-CYBMUJFWSA-N 1 2 386.539 2.467 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@@H+](CCS(=O)(=O)C3CCCCC3)C2)s1 ZINC000932671680 654785295 /nfs/dbraw/zinc/78/52/95/654785295.db2.gz UTMPEAXYFMQIOT-CYBMUJFWSA-N 1 2 386.539 2.467 20 0 GEADLO O[C@@H](C[N@@H+]1CCc2c(Cl)ccc(Br)c2C1)C[C@@]1(O)CCOC1 ZINC000932754394 654788411 /nfs/dbraw/zinc/78/84/11/654788411.db2.gz PFPBLANASBJNPH-BZNIZROVSA-N 1 2 390.705 2.363 20 0 GEADLO O[C@@H](C[N@H+]1CCc2c(Cl)ccc(Br)c2C1)C[C@@]1(O)CCOC1 ZINC000932754394 654788414 /nfs/dbraw/zinc/78/84/14/654788414.db2.gz PFPBLANASBJNPH-BZNIZROVSA-N 1 2 390.705 2.363 20 0 GEADLO O=C(N1CC[NH2+][C@H](c2cn[nH]c2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000913444166 654792178 /nfs/dbraw/zinc/79/21/78/654792178.db2.gz XMPOBDFRYWSJLE-HNNXBMFYSA-N 1 2 375.270 2.377 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)CCc3cccc(F)c3Br)CC[NH2+]2)cn1 ZINC000913459527 654793642 /nfs/dbraw/zinc/79/36/42/654793642.db2.gz DJNSUBJARSPAPX-OAHLLOKOSA-N 1 2 395.276 2.427 20 0 GEADLO Cc1ccc(F)c(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)c1Br ZINC000913460590 654793741 /nfs/dbraw/zinc/79/37/41/654793741.db2.gz KZWYPRGBOYXDFN-ZDUSSCGKSA-N 1 2 381.249 2.417 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913465662 654794271 /nfs/dbraw/zinc/79/42/71/654794271.db2.gz ACSCWGKWSPZRTM-LRDDRELGSA-N 1 2 393.285 2.123 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913465664 654794324 /nfs/dbraw/zinc/79/43/24/654794324.db2.gz ACSCWGKWSPZRTM-WBMJQRKESA-N 1 2 393.285 2.123 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3[nH]c4ccccc4c3Br)CC[NH2+]2)cn1 ZINC000913470358 654794595 /nfs/dbraw/zinc/79/45/95/654794595.db2.gz YWPIUYHQSBTORN-CQSZACIVSA-N 1 2 388.269 2.451 20 0 GEADLO C/C(=C/c1ccc(Br)o1)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913475525 654794851 /nfs/dbraw/zinc/79/48/51/654794851.db2.gz UNMJMZOYXFETGN-SMJHDNPOSA-N 1 2 379.258 2.352 20 0 GEADLO Cc1nc(CSc2ccc(C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)cc2)cs1 ZINC000913553733 654797740 /nfs/dbraw/zinc/79/77/40/654797740.db2.gz OHICKNMSCPHATO-MRXNPFEDSA-N 1 2 377.535 2.492 20 0 GEADLO Cc1nc(CSc2ccc(C(=O)N3CC[N@H+](C)[C@@H](CO)C3)cc2)cs1 ZINC000913553733 654797741 /nfs/dbraw/zinc/79/77/41/654797741.db2.gz OHICKNMSCPHATO-MRXNPFEDSA-N 1 2 377.535 2.492 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCc2cc(F)c(Br)cc2C1 ZINC000933138498 654803455 /nfs/dbraw/zinc/80/34/55/654803455.db2.gz PUFDKCTUPBNMFE-RISCZKNCSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCc2cc(F)c(Br)cc2C1 ZINC000933138498 654803457 /nfs/dbraw/zinc/80/34/57/654803457.db2.gz PUFDKCTUPBNMFE-RISCZKNCSA-N 1 2 376.266 2.359 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](CO)Cc3cncs3)cn2c1 ZINC000913698581 654805134 /nfs/dbraw/zinc/80/51/34/654805134.db2.gz GCPYAUHYULBSHV-ZDUSSCGKSA-N 1 2 376.507 2.052 20 0 GEADLO O=C(NCCC[NH2+]C1(c2ncc(Br)cn2)CCC1)C(F)(F)F ZINC000933319678 654808722 /nfs/dbraw/zinc/80/87/22/654808722.db2.gz AKLAEISBYMCANV-UHFFFAOYSA-N 1 2 381.196 2.277 20 0 GEADLO C[C@@H]1CS(=O)(=O)CCCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000913890907 654814056 /nfs/dbraw/zinc/81/40/56/654814056.db2.gz FFZDLBSBILVZSU-HUUCEWRRSA-N 1 2 385.555 2.104 20 0 GEADLO Cc1noc(C[C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000933572033 654817360 /nfs/dbraw/zinc/81/73/60/654817360.db2.gz LBWRXKYVSNLZBS-GFCCVEGCSA-N 1 2 394.273 2.429 20 0 GEADLO Cc1noc(C[C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000933572033 654817361 /nfs/dbraw/zinc/81/73/61/654817361.db2.gz LBWRXKYVSNLZBS-GFCCVEGCSA-N 1 2 394.273 2.429 20 0 GEADLO O=C(c1nc(Br)c2ccccn21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000933659264 654819137 /nfs/dbraw/zinc/81/91/37/654819137.db2.gz JIJQJHVSYRZKCP-CYBMUJFWSA-N 1 2 393.285 2.034 20 0 GEADLO C[C@@H]1C[N@H+](Cc2csc(COc3ccccc3)n2)C[C@H]1CS(N)(=O)=O ZINC000933699448 654820451 /nfs/dbraw/zinc/82/04/51/654820451.db2.gz MHDSWRHCTLOLTR-KGLIPLIRSA-N 1 2 381.523 2.079 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2csc(COc3ccccc3)n2)C[C@H]1CS(N)(=O)=O ZINC000933699448 654820457 /nfs/dbraw/zinc/82/04/57/654820457.db2.gz MHDSWRHCTLOLTR-KGLIPLIRSA-N 1 2 381.523 2.079 20 0 GEADLO O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000914090347 654825772 /nfs/dbraw/zinc/82/57/72/654825772.db2.gz GBOLMWDZMCKDTR-FNODVLLQSA-N 1 2 397.444 2.058 20 0 GEADLO O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000914090347 654825774 /nfs/dbraw/zinc/82/57/74/654825774.db2.gz GBOLMWDZMCKDTR-FNODVLLQSA-N 1 2 397.444 2.058 20 0 GEADLO CCn1cc(C[N@@H+]2CCCN(S(=O)(=O)CCCC(C)(F)F)CC2)cn1 ZINC000914103702 654826711 /nfs/dbraw/zinc/82/67/11/654826711.db2.gz DPCBWXBWBXTCLE-UHFFFAOYSA-N 1 2 378.489 2.176 20 0 GEADLO CCn1cc(C[N@H+]2CCCN(S(=O)(=O)CCCC(C)(F)F)CC2)cn1 ZINC000914103702 654826715 /nfs/dbraw/zinc/82/67/15/654826715.db2.gz DPCBWXBWBXTCLE-UHFFFAOYSA-N 1 2 378.489 2.176 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCCSC[C@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000933918519 654829808 /nfs/dbraw/zinc/82/98/08/654829808.db2.gz TZUDVWPYZDYVRD-IRXDYDNUSA-N 1 2 388.599 2.020 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCCSC[C@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000933918519 654829812 /nfs/dbraw/zinc/82/98/12/654829812.db2.gz TZUDVWPYZDYVRD-IRXDYDNUSA-N 1 2 388.599 2.020 20 0 GEADLO O[C@@H](C[N@@H+]1CCc2cc(Cl)cc(Br)c2C1)C[C@@]1(O)CCOC1 ZINC000933943393 654831883 /nfs/dbraw/zinc/83/18/83/654831883.db2.gz ZDNPIDCPPGGLNW-CJNGLKHVSA-N 1 2 390.705 2.363 20 0 GEADLO O[C@@H](C[N@H+]1CCc2cc(Cl)cc(Br)c2C1)C[C@@]1(O)CCOC1 ZINC000933943393 654831885 /nfs/dbraw/zinc/83/18/85/654831885.db2.gz ZDNPIDCPPGGLNW-CJNGLKHVSA-N 1 2 390.705 2.363 20 0 GEADLO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2occc2Br)CC1 ZINC000914218505 654836066 /nfs/dbraw/zinc/83/60/66/654836066.db2.gz XMKJWPJQUSQXNW-UHFFFAOYSA-N 1 2 395.319 2.210 20 0 GEADLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000914244123 654838515 /nfs/dbraw/zinc/83/85/15/654838515.db2.gz AYGBOSFHPPLSGV-ONGXEEELSA-N 1 2 380.388 2.052 20 0 GEADLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000914244123 654838517 /nfs/dbraw/zinc/83/85/17/654838517.db2.gz AYGBOSFHPPLSGV-ONGXEEELSA-N 1 2 380.388 2.052 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)N2CCC[C@H](OCC(F)(F)F)C2)n1 ZINC000914259878 654839536 /nfs/dbraw/zinc/83/95/36/654839536.db2.gz DLXYVARNMSNKDO-LBPRGKRZSA-N 1 2 380.436 2.458 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CCSC2(CCC2)C1 ZINC000914328099 654845489 /nfs/dbraw/zinc/84/54/89/654845489.db2.gz GEIPZLQWSLETRC-WBVHZDCISA-N 1 2 385.599 2.312 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934377790 654848445 /nfs/dbraw/zinc/84/84/45/654848445.db2.gz YKSPWDKWINCGJL-UHFFFAOYSA-N 1 2 386.294 2.213 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934377790 654848446 /nfs/dbraw/zinc/84/84/46/654848446.db2.gz YKSPWDKWINCGJL-UHFFFAOYSA-N 1 2 386.294 2.213 20 0 GEADLO Cc1[nH+]ccn1CCCCN1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934784522 654859504 /nfs/dbraw/zinc/85/95/04/654859504.db2.gz IRZQEGJNQCVHCM-HUUCEWRRSA-N 1 2 379.448 2.413 20 0 GEADLO Cc1ccc([C@H](O)C[N@@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)cc1 ZINC000934786845 654860077 /nfs/dbraw/zinc/86/00/77/654860077.db2.gz WOYHNQVOFYSWHS-BZUAXINKSA-N 1 2 377.428 2.470 20 0 GEADLO Cc1ccc([C@H](O)C[N@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)cc1 ZINC000934786845 654860079 /nfs/dbraw/zinc/86/00/79/654860079.db2.gz WOYHNQVOFYSWHS-BZUAXINKSA-N 1 2 377.428 2.470 20 0 GEADLO CCCCCNC(=O)C[NH2+][C@H](CO)c1ccccc1I ZINC000934829732 654863208 /nfs/dbraw/zinc/86/32/08/654863208.db2.gz PAYYOLFRXXRAGO-CQSZACIVSA-N 1 2 390.265 2.221 20 0 GEADLO O=C(C/C=C/c1ccc(Br)cc1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000935843168 654921035 /nfs/dbraw/zinc/92/10/35/654921035.db2.gz OFXFELXFIRKMRV-DUXHTMCSSA-N 1 2 378.314 2.359 20 0 GEADLO O=C(C/C=C/c1ccc(Br)cc1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000935843168 654921042 /nfs/dbraw/zinc/92/10/42/654921042.db2.gz OFXFELXFIRKMRV-DUXHTMCSSA-N 1 2 378.314 2.359 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4cc(OC)ccc4n3)CC2)C1=O ZINC001164634752 719271899 /nfs/dbraw/zinc/27/18/99/719271899.db2.gz NWGFHNOMZAEWPY-UHFFFAOYSA-N 1 2 398.507 2.003 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4cc(OC)ccc4n3)CC2)C1=O ZINC001164634752 719271903 /nfs/dbraw/zinc/27/19/03/719271903.db2.gz NWGFHNOMZAEWPY-UHFFFAOYSA-N 1 2 398.507 2.003 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc4ccc(F)cc4cn3)CC2)C1=O ZINC001164644470 719280970 /nfs/dbraw/zinc/28/09/70/719280970.db2.gz KTEDCWDOEVVALT-UHFFFAOYSA-N 1 2 386.471 2.133 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc4ccc(F)cc4cn3)CC2)C1=O ZINC001164644470 719280973 /nfs/dbraw/zinc/28/09/73/719280973.db2.gz KTEDCWDOEVVALT-UHFFFAOYSA-N 1 2 386.471 2.133 20 0 GEADLO Cn1cnc2c1ncnc2N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672245 719495661 /nfs/dbraw/zinc/49/56/61/719495661.db2.gz HVKHNYSHKWJWIV-UHFFFAOYSA-N 1 2 396.470 2.374 20 0 GEADLO Cn1cnc2c1ncnc2N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672245 719495666 /nfs/dbraw/zinc/49/56/66/719495666.db2.gz HVKHNYSHKWJWIV-UHFFFAOYSA-N 1 2 396.470 2.374 20 0 GEADLO Cn1cnc2cnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc21 ZINC001164671099 719503573 /nfs/dbraw/zinc/50/35/73/719503573.db2.gz BJKSKSBJGJKVLM-UHFFFAOYSA-N 1 2 396.470 2.374 20 0 GEADLO Cn1cnc2cnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc21 ZINC001164671099 719503581 /nfs/dbraw/zinc/50/35/81/719503581.db2.gz BJKSKSBJGJKVLM-UHFFFAOYSA-N 1 2 396.470 2.374 20 0 GEADLO CNC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164671513 719517773 /nfs/dbraw/zinc/51/77/73/719517773.db2.gz FIMLXZDBJWIQLK-UHFFFAOYSA-N 1 2 398.482 2.452 20 0 GEADLO CNC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164671513 719517782 /nfs/dbraw/zinc/51/77/82/719517782.db2.gz FIMLXZDBJWIQLK-UHFFFAOYSA-N 1 2 398.482 2.452 20 0 GEADLO Cc1ccc(C(N)=O)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164672678 719521818 /nfs/dbraw/zinc/52/18/18/719521818.db2.gz MREBRLJBCASSNO-UHFFFAOYSA-N 1 2 398.482 2.499 20 0 GEADLO Cc1ccc(C(N)=O)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164672678 719521826 /nfs/dbraw/zinc/52/18/26/719521826.db2.gz MREBRLJBCASSNO-UHFFFAOYSA-N 1 2 398.482 2.499 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(C(C)(C)C)n1 ZINC001164698337 719850989 /nfs/dbraw/zinc/85/09/89/719850989.db2.gz BLXUIFHBXACXAM-MGPUTAFESA-N 1 2 376.501 2.007 20 0 GEADLO CCOc1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164703658 719852894 /nfs/dbraw/zinc/85/28/94/719852894.db2.gz QJEXPWNAFRCHHW-IFXJQAMLSA-N 1 2 397.903 2.366 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(SC(C)C)nn1 ZINC001164702849 719873177 /nfs/dbraw/zinc/87/31/77/719873177.db2.gz JADZYDNIUFMIDB-KXBFYZLASA-N 1 2 394.541 2.210 20 0 GEADLO FC(F)(Oc1cccc(Cl)n1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830189 720398568 /nfs/dbraw/zinc/39/85/68/720398568.db2.gz QQTILQHTYICFBO-UHFFFAOYSA-N 1 2 395.801 2.406 20 0 GEADLO Cc1cc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)c(Cl)nn1 ZINC001164832115 720399615 /nfs/dbraw/zinc/39/96/15/720399615.db2.gz ZPNMYNLUZJFPHW-UHFFFAOYSA-N 1 2 394.817 2.230 20 0 GEADLO COc1nc(Cl)nc(C)c1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165011249 721703673 /nfs/dbraw/zinc/70/36/73/721703673.db2.gz OXDVBBWQDPIDNT-UHFFFAOYSA-N 1 2 379.896 2.289 20 0 GEADLO COc1nc(Cl)nc(C)c1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165011249 721703674 /nfs/dbraw/zinc/70/36/74/721703674.db2.gz OXDVBBWQDPIDNT-UHFFFAOYSA-N 1 2 379.896 2.289 20 0 GEADLO COC(=O)c1ccc(Cl)c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165011861 721706382 /nfs/dbraw/zinc/70/63/82/721706382.db2.gz ZZBFRLCRZNINJI-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO COC(=O)c1ccc(Cl)c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165011861 721706386 /nfs/dbraw/zinc/70/63/86/721706386.db2.gz ZZBFRLCRZNINJI-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO Cc1noc(-c2ccnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2)n1 ZINC001165009119 721715230 /nfs/dbraw/zinc/71/52/30/721715230.db2.gz PPWSPIHOMHRJET-UHFFFAOYSA-N 1 2 382.472 2.282 20 0 GEADLO Cc1noc(-c2ccnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2)n1 ZINC001165009119 721715236 /nfs/dbraw/zinc/71/52/36/721715236.db2.gz PPWSPIHOMHRJET-UHFFFAOYSA-N 1 2 382.472 2.282 20 0 GEADLO Cc1noc(-c2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc2)n1 ZINC001165009010 721715934 /nfs/dbraw/zinc/71/59/34/721715934.db2.gz MVPRFNCWPVQFCS-UHFFFAOYSA-N 1 2 382.472 2.282 20 0 GEADLO Cc1noc(-c2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc2)n1 ZINC001165009010 721715940 /nfs/dbraw/zinc/71/59/40/721715940.db2.gz MVPRFNCWPVQFCS-UHFFFAOYSA-N 1 2 382.472 2.282 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccnc(-c3nccs3)n1)C2 ZINC001165011441 721721447 /nfs/dbraw/zinc/72/14/47/721721447.db2.gz QEORWHHFLGTZDU-UHFFFAOYSA-N 1 2 384.513 2.442 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccnc(-c3nccs3)n1)C2 ZINC001165011441 721721455 /nfs/dbraw/zinc/72/14/55/721721455.db2.gz QEORWHHFLGTZDU-UHFFFAOYSA-N 1 2 384.513 2.442 20 0 GEADLO c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164909631 721767079 /nfs/dbraw/zinc/76/70/79/721767079.db2.gz DQDVVRGVTGTICD-QFIPXVFZSA-N 1 2 391.475 2.133 20 0 GEADLO c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164909631 721767081 /nfs/dbraw/zinc/76/70/81/721767081.db2.gz DQDVVRGVTGTICD-QFIPXVFZSA-N 1 2 391.475 2.133 20 0 GEADLO CC(C)c1nccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915524 721785139 /nfs/dbraw/zinc/78/51/39/721785139.db2.gz KWAIUEFMMDTGIK-OAQYLSRUSA-N 1 2 383.496 2.103 20 0 GEADLO CC(C)c1nccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915524 721785146 /nfs/dbraw/zinc/78/51/46/721785146.db2.gz KWAIUEFMMDTGIK-OAQYLSRUSA-N 1 2 383.496 2.103 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nccc(C(=O)OC(C)(C)C)n2)CC1 ZINC001164918757 721816744 /nfs/dbraw/zinc/81/67/44/721816744.db2.gz UDKPUXINGPUTMN-UHFFFAOYSA-N 1 2 398.511 2.378 20 0 GEADLO CCCNC(=O)c1cccnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164918829 721819050 /nfs/dbraw/zinc/81/90/50/721819050.db2.gz VIKCYPAJMVIKLS-UHFFFAOYSA-N 1 2 382.512 2.167 20 0 GEADLO CCCNC(=O)c1ccc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc1 ZINC001164918349 721819509 /nfs/dbraw/zinc/81/95/09/721819509.db2.gz PBQWNFQQVIQXEO-UHFFFAOYSA-N 1 2 382.512 2.167 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(-c3nc(C)no3)cn2)CC1 ZINC001164918600 721819716 /nfs/dbraw/zinc/81/97/16/721819716.db2.gz QEXWDWRZURBOAB-UHFFFAOYSA-N 1 2 379.468 2.386 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(-c3ccncc3)ncn2)CC1 ZINC001164917140 721820028 /nfs/dbraw/zinc/82/00/28/721820028.db2.gz CBAVTGPOZUFEKU-UHFFFAOYSA-N 1 2 375.480 2.485 20 0 GEADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165036487 721917347 /nfs/dbraw/zinc/91/73/47/721917347.db2.gz DDDWGEVYQBNDLK-GFCCVEGCSA-N 1 2 389.830 2.368 20 0 GEADLO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054856 722017817 /nfs/dbraw/zinc/01/78/17/722017817.db2.gz GJCFRVHWGZEWEN-UHFFFAOYSA-N 1 2 393.829 2.263 20 0 GEADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N(C)C)[nH+]cn4)CC[C@H]32)cs1 ZINC001164988435 722174271 /nfs/dbraw/zinc/17/42/71/722174271.db2.gz RAFGMIIRNKVYTH-IAGOWNOFSA-N 1 2 388.541 2.177 20 0 GEADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N(C)C)nc[nH+]4)CC[C@H]32)cs1 ZINC001164988435 722174273 /nfs/dbraw/zinc/17/42/73/722174273.db2.gz RAFGMIIRNKVYTH-IAGOWNOFSA-N 1 2 388.541 2.177 20 0 GEADLO CNc1nc(C)cc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000487572095 531474841 /nfs/dbraw/zinc/47/48/41/531474841.db2.gz ZGMUKFDYLRTJNX-UHFFFAOYSA-N 1 2 375.230 2.167 20 0 GEADLO CCOC(=O)c1sc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)nc1C ZINC000151761548 531519096 /nfs/dbraw/zinc/51/90/96/531519096.db2.gz FSXXGJXTPGNWIW-VHSXEESVSA-N 1 2 379.404 2.442 20 0 GEADLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000151541141 531509113 /nfs/dbraw/zinc/50/91/13/531509113.db2.gz JIJXSTWDDUDFJQ-UHFFFAOYSA-N 1 2 385.306 2.378 20 0 GEADLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000151541141 531509121 /nfs/dbraw/zinc/50/91/21/531509121.db2.gz JIJXSTWDDUDFJQ-UHFFFAOYSA-N 1 2 385.306 2.378 20 0 GEADLO CC[N@H+](CC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)C1CC1 ZINC000152014934 531528257 /nfs/dbraw/zinc/52/82/57/531528257.db2.gz VDZMSNREAMMESY-UHFFFAOYSA-N 1 2 378.274 2.335 20 0 GEADLO CC[N@@H+](CC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)C1CC1 ZINC000152014934 531528262 /nfs/dbraw/zinc/52/82/62/531528262.db2.gz VDZMSNREAMMESY-UHFFFAOYSA-N 1 2 378.274 2.335 20 0 GEADLO CC[N@H+](CC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)C1CC1 ZINC000152014934 531528267 /nfs/dbraw/zinc/52/82/67/531528267.db2.gz VDZMSNREAMMESY-UHFFFAOYSA-N 1 2 378.274 2.335 20 0 GEADLO CC[N@@H+](CC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)C1CC1 ZINC000152014934 531528274 /nfs/dbraw/zinc/52/82/74/531528274.db2.gz VDZMSNREAMMESY-UHFFFAOYSA-N 1 2 378.274 2.335 20 0 GEADLO COc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cc1I ZINC000152142886 531531883 /nfs/dbraw/zinc/53/18/83/531531883.db2.gz UYARIWHBNKMUKA-UHFFFAOYSA-N 1 2 385.205 2.306 20 0 GEADLO C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)c2ccc(F)c(F)c2F)C[C@H](C)O1 ZINC000151802975 531520194 /nfs/dbraw/zinc/52/01/94/531520194.db2.gz QXZLUELLRHYGLJ-TXEJJXNPSA-N 1 2 380.432 2.272 20 0 GEADLO C[C@@H]1C[N@H+](CCCCNS(=O)(=O)c2ccc(F)c(F)c2F)C[C@H](C)O1 ZINC000151802975 531520200 /nfs/dbraw/zinc/52/02/00/531520200.db2.gz QXZLUELLRHYGLJ-TXEJJXNPSA-N 1 2 380.432 2.272 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000152355257 531544527 /nfs/dbraw/zinc/54/45/27/531544527.db2.gz DDEAMTYKFOZELM-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000152789739 531570747 /nfs/dbraw/zinc/57/07/47/531570747.db2.gz BZXZGSOVEJFNMP-OIISXLGYSA-N 1 2 397.313 2.394 20 0 GEADLO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000152789739 531570756 /nfs/dbraw/zinc/57/07/56/531570756.db2.gz BZXZGSOVEJFNMP-OIISXLGYSA-N 1 2 397.313 2.394 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000153137659 531590469 /nfs/dbraw/zinc/59/04/69/531590469.db2.gz CDAQHAMUHYJCDH-QGZVFWFLSA-N 1 2 389.297 2.188 20 0 GEADLO CC[C@H]1C[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CCN1CC(F)F ZINC000153518670 531602167 /nfs/dbraw/zinc/60/21/67/531602167.db2.gz GVLSWBKZVHJSKQ-HNNXBMFYSA-N 1 2 375.485 2.098 20 0 GEADLO CC[C@H]1C[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CCN1CC(F)F ZINC000153518670 531602173 /nfs/dbraw/zinc/60/21/73/531602173.db2.gz GVLSWBKZVHJSKQ-HNNXBMFYSA-N 1 2 375.485 2.098 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000026174056 531616569 /nfs/dbraw/zinc/61/65/69/531616569.db2.gz AIRMFZPAFYFEPW-AWEZNQCLSA-N 1 2 391.331 2.361 20 0 GEADLO COc1ccc(Br)cc1C[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000026174056 531616574 /nfs/dbraw/zinc/61/65/74/531616574.db2.gz AIRMFZPAFYFEPW-AWEZNQCLSA-N 1 2 391.331 2.361 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cccc(Br)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000026841061 531620050 /nfs/dbraw/zinc/62/00/50/531620050.db2.gz KRBJMUUOWMZHRC-UPJWGTAASA-N 1 2 391.331 2.225 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cccc(Br)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000026841061 531620057 /nfs/dbraw/zinc/62/00/57/531620057.db2.gz KRBJMUUOWMZHRC-UPJWGTAASA-N 1 2 391.331 2.225 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccccc2Br)C1 ZINC000026958225 531622305 /nfs/dbraw/zinc/62/23/05/531622305.db2.gz RCDOZEWTFYWSIG-CYBMUJFWSA-N 1 2 391.331 2.084 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccccc2Br)C1 ZINC000026958225 531622311 /nfs/dbraw/zinc/62/23/11/531622311.db2.gz RCDOZEWTFYWSIG-CYBMUJFWSA-N 1 2 391.331 2.084 20 0 GEADLO Cc1cc(OCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1Cl ZINC000031940981 531647040 /nfs/dbraw/zinc/64/70/40/531647040.db2.gz XYQCGUNAVHGFGX-GOSISDBHSA-N 1 2 384.929 2.351 20 0 GEADLO C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000155035488 531651169 /nfs/dbraw/zinc/65/11/69/531651169.db2.gz XMBHWWPAFARRQD-LLVKDONJSA-N 1 2 388.452 2.005 20 0 GEADLO Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000032417469 531652347 /nfs/dbraw/zinc/65/23/47/531652347.db2.gz BAGBOIYGNHYIPF-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO CCOc1c(Br)cc(C[N@H+](C)CCS(C)(=O)=O)cc1OC ZINC000155148411 531660769 /nfs/dbraw/zinc/66/07/69/531660769.db2.gz UCQJMKIMKTVHQK-UHFFFAOYSA-N 1 2 380.304 2.333 20 0 GEADLO CCOc1c(Br)cc(C[N@@H+](C)CCS(C)(=O)=O)cc1OC ZINC000155148411 531660774 /nfs/dbraw/zinc/66/07/74/531660774.db2.gz UCQJMKIMKTVHQK-UHFFFAOYSA-N 1 2 380.304 2.333 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCc2ccc[nH+]c2N(C)C)c(Br)c1 ZINC000041639016 531666692 /nfs/dbraw/zinc/66/66/92/531666692.db2.gz BYNYUJZJOMAEQD-UHFFFAOYSA-N 1 2 391.269 2.473 20 0 GEADLO COCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000042857389 531675051 /nfs/dbraw/zinc/67/50/51/531675051.db2.gz ZYEUQBMIHYNPDQ-GFCCVEGCSA-N 1 2 389.265 2.146 20 0 GEADLO CC(C)(CNC(=O)NCCNc1ncc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000043160513 531677472 /nfs/dbraw/zinc/67/74/72/531677472.db2.gz BWTSTLQRFMDFKB-UHFFFAOYSA-N 1 2 390.315 2.210 20 0 GEADLO O=C(CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1)NCC(F)(F)F ZINC000046168044 531698587 /nfs/dbraw/zinc/69/85/87/531698587.db2.gz HRNWZCZZMGUDKF-UHFFFAOYSA-N 1 2 379.810 2.015 20 0 GEADLO COC(=O)C1CCN(C(=O)C[N@H+](C)Cc2ccc(Br)s2)CC1 ZINC000046171430 531698877 /nfs/dbraw/zinc/69/88/77/531698877.db2.gz NUPJQCXZHRXFFZ-UHFFFAOYSA-N 1 2 389.315 2.354 20 0 GEADLO COC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2ccc(Br)s2)CC1 ZINC000046171430 531698882 /nfs/dbraw/zinc/69/88/82/531698882.db2.gz NUPJQCXZHRXFFZ-UHFFFAOYSA-N 1 2 389.315 2.354 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2Br)CC1 ZINC000046406637 531703292 /nfs/dbraw/zinc/70/32/92/531703292.db2.gz VNTMUKLEYXGOGS-CMDGGOBGSA-N 1 2 394.313 2.133 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccccc2Br)CC1 ZINC000046406637 531703297 /nfs/dbraw/zinc/70/32/97/531703297.db2.gz VNTMUKLEYXGOGS-CMDGGOBGSA-N 1 2 394.313 2.133 20 0 GEADLO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156262309 531724937 /nfs/dbraw/zinc/72/49/37/531724937.db2.gz VMDVQQWVGMBABM-NEPJUHHUSA-N 1 2 384.263 2.308 20 0 GEADLO O=C(NCCc1cc(Cl)ccc1Br)NCC[NH+]1CCOCC1 ZINC000156284842 531726768 /nfs/dbraw/zinc/72/67/68/531726768.db2.gz HANLYFDKXHLDJM-UHFFFAOYSA-N 1 2 390.709 2.276 20 0 GEADLO O=S1(=O)CC[C@H](N(Cc2c[nH+]c3ccc(Br)cn23)C2CC2)C1 ZINC000156999141 531729219 /nfs/dbraw/zinc/72/92/19/531729219.db2.gz HRMYRQHFXRJGLA-ZDUSSCGKSA-N 1 2 384.299 2.248 20 0 GEADLO C[C@H](CNC(=O)NCCc1ccc(Br)s1)[NH+]1CCOCC1 ZINC000048379798 531731024 /nfs/dbraw/zinc/73/10/24/531731024.db2.gz SRMNLHMCADVHBW-LLVKDONJSA-N 1 2 376.320 2.073 20 0 GEADLO Cn1cc(NC(=O)NCCc2cn3ccccc3[nH+]2)cc(Br)c1=O ZINC000156111201 531714687 /nfs/dbraw/zinc/71/46/87/531714687.db2.gz JYEAMDFTTIIGEN-UHFFFAOYSA-N 1 2 390.241 2.160 20 0 GEADLO O=C(Cn1cc(Br)ccc1=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000047528013 531715124 /nfs/dbraw/zinc/71/51/24/531715124.db2.gz ILCLPQMRPWSIPQ-UHFFFAOYSA-N 1 2 395.644 2.228 20 0 GEADLO C[C@H](O)C[C@H]1COCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000157209754 531734486 /nfs/dbraw/zinc/73/44/86/531734486.db2.gz ZDWYNSWRDMQXQJ-XEZPLFJOSA-N 1 2 385.302 2.098 20 0 GEADLO C[C@H](O)C[C@H]1COCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000157209754 531734493 /nfs/dbraw/zinc/73/44/93/531734493.db2.gz ZDWYNSWRDMQXQJ-XEZPLFJOSA-N 1 2 385.302 2.098 20 0 GEADLO COc1cccc([C@@H](NC(=O)CSc2nncs2)c2[nH+]ccn2C)c1 ZINC000051016826 531738529 /nfs/dbraw/zinc/73/85/29/531738529.db2.gz IFEAAKLFMIVFEK-CQSZACIVSA-N 1 2 375.479 2.278 20 0 GEADLO CC(C)N(CCCNC(=O)C[N@H+](C)Cc1ccc(Cl)s1)S(C)(=O)=O ZINC000051679795 531744398 /nfs/dbraw/zinc/74/43/98/531744398.db2.gz GYMSBQHCMUEBMT-UHFFFAOYSA-N 1 2 395.978 2.010 20 0 GEADLO CC(C)N(CCCNC(=O)C[N@@H+](C)Cc1ccc(Cl)s1)S(C)(=O)=O ZINC000051679795 531744403 /nfs/dbraw/zinc/74/44/03/531744403.db2.gz GYMSBQHCMUEBMT-UHFFFAOYSA-N 1 2 395.978 2.010 20 0 GEADLO C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000157551186 531746577 /nfs/dbraw/zinc/74/65/77/531746577.db2.gz ZVSNBPTUMYAKEA-GFCCVEGCSA-N 1 2 390.299 2.229 20 0 GEADLO C[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000157551186 531746583 /nfs/dbraw/zinc/74/65/83/531746583.db2.gz ZVSNBPTUMYAKEA-GFCCVEGCSA-N 1 2 390.299 2.229 20 0 GEADLO CC(C)C(=O)NCC[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000157709671 531751848 /nfs/dbraw/zinc/75/18/48/531751848.db2.gz CVFRRVLZWYHQCJ-UHFFFAOYSA-N 1 2 390.347 2.173 20 0 GEADLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000157709671 531751854 /nfs/dbraw/zinc/75/18/54/531751854.db2.gz CVFRRVLZWYHQCJ-UHFFFAOYSA-N 1 2 390.347 2.173 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)c1ccc(Br)cc1 ZINC000054985715 531782167 /nfs/dbraw/zinc/78/21/67/531782167.db2.gz OSZARNPYABRTIT-MLGOLLRUSA-N 1 2 394.313 2.369 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1)c1ccc(Br)cc1 ZINC000054985715 531782170 /nfs/dbraw/zinc/78/21/70/531782170.db2.gz OSZARNPYABRTIT-MLGOLLRUSA-N 1 2 394.313 2.369 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCCC[NH+]1CCOCC1 ZINC000158202178 531769320 /nfs/dbraw/zinc/76/93/20/531769320.db2.gz XURFKDGALCVSOZ-CQSZACIVSA-N 1 2 397.313 2.497 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000054174539 531773351 /nfs/dbraw/zinc/77/33/51/531773351.db2.gz ASECWRYKTAGOFG-GFCCVEGCSA-N 1 2 379.295 2.492 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(Br)c1 ZINC000054174539 531773358 /nfs/dbraw/zinc/77/33/58/531773358.db2.gz ASECWRYKTAGOFG-GFCCVEGCSA-N 1 2 379.295 2.492 20 0 GEADLO CNC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 ZINC000054368484 531778282 /nfs/dbraw/zinc/77/82/82/531778282.db2.gz VHGQRRRUOXXJDR-CYBMUJFWSA-N 1 2 384.263 2.083 20 0 GEADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccc(Br)s2)C[C@@H](C)O1 ZINC000055290763 531788159 /nfs/dbraw/zinc/78/81/59/531788159.db2.gz UFANSEIFFDOMAP-GHMZBOCLSA-N 1 2 397.360 2.288 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)c1cc(Br)ccc1Br ZINC000160033592 531803264 /nfs/dbraw/zinc/80/32/64/531803264.db2.gz QAMINOCJRLYVBU-UHFFFAOYSA-N 1 2 392.091 2.274 20 0 GEADLO CSc1ccc(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000056944772 531815106 /nfs/dbraw/zinc/81/51/06/531815106.db2.gz LPSLEQZAGBEGDV-SFHVURJKSA-N 1 2 381.567 2.416 20 0 GEADLO O=C(c1cc(Br)c[nH]1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000057589806 531820484 /nfs/dbraw/zinc/82/04/84/531820484.db2.gz OKTLHRMNMBOMKQ-UHFFFAOYSA-N 1 2 388.269 2.383 20 0 GEADLO CCCc1nnc(NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)s1 ZINC000162123221 531835280 /nfs/dbraw/zinc/83/52/80/531835280.db2.gz UWDVFIFYCIAAAB-UHFFFAOYSA-N 1 2 382.511 2.078 20 0 GEADLO Cc1cc(N)nc(SCC(=O)NCC(=O)Nc2cccc(Cl)c2C)[nH+]1 ZINC000060980631 531849015 /nfs/dbraw/zinc/84/90/15/531849015.db2.gz LOZIHGPXCPXXMD-UHFFFAOYSA-N 1 2 379.873 2.176 20 0 GEADLO O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000163773114 531863788 /nfs/dbraw/zinc/86/37/88/531863788.db2.gz GVKFOBCRVFJVDS-CYBMUJFWSA-N 1 2 386.279 2.255 20 0 GEADLO O[C@@H](CSc1nccn1-c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000066402844 531875219 /nfs/dbraw/zinc/87/52/19/531875219.db2.gz CIMRMDRJHHYAMB-OAHLLOKOSA-N 1 2 398.326 2.420 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1C ZINC000167925567 531880382 /nfs/dbraw/zinc/88/03/82/531880382.db2.gz HYPMLVRFHGBWLL-GOEBONIOSA-N 1 2 386.880 2.245 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1C ZINC000167925567 531880390 /nfs/dbraw/zinc/88/03/90/531880390.db2.gz HYPMLVRFHGBWLL-GOEBONIOSA-N 1 2 386.880 2.245 20 0 GEADLO NC(=O)[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1 ZINC000068951418 531907061 /nfs/dbraw/zinc/90/70/61/531907061.db2.gz MJOWEQXGOHKPTO-HZPDHXFCSA-N 1 2 388.265 2.371 20 0 GEADLO NC(=O)c1cccnc1N1CC[NH+](Cc2sccc2Br)CC1 ZINC000069064268 531909023 /nfs/dbraw/zinc/90/90/23/531909023.db2.gz IYJKPKXHYVALTB-UHFFFAOYSA-N 1 2 381.299 2.327 20 0 GEADLO C[C@@H](NC(=O)NCc1ccc(F)cc1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000171655961 531909823 /nfs/dbraw/zinc/90/98/23/531909823.db2.gz YPOBDULSXAGUDB-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2c(Br)cccc2C1 ZINC000171750421 531914103 /nfs/dbraw/zinc/91/41/03/531914103.db2.gz HEZFOWBZJFZMDD-CQSZACIVSA-N 1 2 395.345 2.153 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000171944383 531924358 /nfs/dbraw/zinc/92/43/58/531924358.db2.gz HACNLGSFSQOYFH-UHFFFAOYSA-N 1 2 375.281 2.223 20 0 GEADLO C[C@H](CS(C)(=O)=O)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000172241130 531940960 /nfs/dbraw/zinc/94/09/60/531940960.db2.gz ZNKRYOVDRLQCAA-CYBMUJFWSA-N 1 2 387.933 2.037 20 0 GEADLO C[C@@H](CS(C)(=O)=O)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000172245408 531941052 /nfs/dbraw/zinc/94/10/52/531941052.db2.gz SPCAXGKYAJIFCI-XJKSGUPXSA-N 1 2 387.933 2.209 20 0 GEADLO CCN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H](C)CS(=O)(=O)CC ZINC000172234340 531941377 /nfs/dbraw/zinc/94/13/77/531941377.db2.gz RTYHQZINEVWRLM-ZIAGYGMSSA-N 1 2 375.560 2.206 20 0 GEADLO COCCCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000114206518 531955979 /nfs/dbraw/zinc/95/59/79/531955979.db2.gz UOVBXQSOIRVCER-UHFFFAOYSA-N 1 2 397.360 2.244 20 0 GEADLO COCC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000172995811 531978491 /nfs/dbraw/zinc/97/84/91/531978491.db2.gz SXELWLLYSCUOHT-UHFFFAOYSA-N 1 2 386.823 2.312 20 0 GEADLO C[C@@H](C[NH+]1CCN(CC(=O)NC2CC2)CC1)c1cccc(Br)c1 ZINC000120771670 531994534 /nfs/dbraw/zinc/99/45/34/531994534.db2.gz WROBFEJCKTVLPQ-AWEZNQCLSA-N 1 2 380.330 2.449 20 0 GEADLO C[C@@H](CN1CC[NH+](CC(=O)NC2CC2)CC1)c1cccc(Br)c1 ZINC000120771670 531994540 /nfs/dbraw/zinc/99/45/40/531994540.db2.gz WROBFEJCKTVLPQ-AWEZNQCLSA-N 1 2 380.330 2.449 20 0 GEADLO Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N2CC[NH+](C)CC2)c1 ZINC000120781493 531994926 /nfs/dbraw/zinc/99/49/26/531994926.db2.gz LGSMQMCPZFXYAK-UHFFFAOYSA-N 1 2 375.416 2.362 20 0 GEADLO C[C@H](O)[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000120690580 531989166 /nfs/dbraw/zinc/98/91/66/531989166.db2.gz SCTRMTDTDBSYPQ-QWHCGFSZSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@H](O)[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000120690580 531989171 /nfs/dbraw/zinc/98/91/71/531989171.db2.gz SCTRMTDTDBSYPQ-QWHCGFSZSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H](O)[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000120795441 531996884 /nfs/dbraw/zinc/99/68/84/531996884.db2.gz NDXGGTUTXVXHAV-OLZOCXBDSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H](O)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000120795441 531996892 /nfs/dbraw/zinc/99/68/92/531996892.db2.gz NDXGGTUTXVXHAV-OLZOCXBDSA-N 1 2 376.316 2.316 20 0 GEADLO O[C@H](CSc1nnc(NCCc2cccs2)s1)C[NH+]1CCOCC1 ZINC000120910516 532001990 /nfs/dbraw/zinc/00/19/90/532001990.db2.gz AFXWHFFJXYLGSA-LBPRGKRZSA-N 1 2 386.568 2.039 20 0 GEADLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccc(Br)nc1 ZINC000173290473 532001186 /nfs/dbraw/zinc/00/11/86/532001186.db2.gz JZTRBTSPIGRVLB-UHFFFAOYSA-N 1 2 377.242 2.006 20 0 GEADLO CN1CCO[C@H]2C[N@H+](Cc3nnc(-c4ccccc4Br)o3)C[C@@H]21 ZINC000121047578 532008992 /nfs/dbraw/zinc/00/89/92/532008992.db2.gz SDWJNLIULLVQTK-KBPBESRZSA-N 1 2 379.258 2.014 20 0 GEADLO CN1CCO[C@H]2C[N@@H+](Cc3nnc(-c4ccccc4Br)o3)C[C@@H]21 ZINC000121047578 532008999 /nfs/dbraw/zinc/00/89/99/532008999.db2.gz SDWJNLIULLVQTK-KBPBESRZSA-N 1 2 379.258 2.014 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(Cc3nnc(-c4ccccc4Br)o3)C[C@@H]21 ZINC000121047578 532009004 /nfs/dbraw/zinc/00/90/04/532009004.db2.gz SDWJNLIULLVQTK-KBPBESRZSA-N 1 2 379.258 2.014 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(Cc3nnc(-c4ccccc4Br)o3)C[C@@H]21 ZINC000121047578 532009012 /nfs/dbraw/zinc/00/90/12/532009012.db2.gz SDWJNLIULLVQTK-KBPBESRZSA-N 1 2 379.258 2.014 20 0 GEADLO O=C1NCCN1C1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000173550660 532019350 /nfs/dbraw/zinc/01/93/50/532019350.db2.gz WDXATHWYHXVEOZ-UHFFFAOYSA-N 1 2 385.249 2.281 20 0 GEADLO C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000173584896 532021593 /nfs/dbraw/zinc/02/15/93/532021593.db2.gz KBYAMUDUXKLZGO-CZUORRHYSA-N 1 2 387.343 2.315 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173752983 532030930 /nfs/dbraw/zinc/03/09/30/532030930.db2.gz CAKKENNTHQPBPW-AWEZNQCLSA-N 1 2 378.416 2.191 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000121597698 532037318 /nfs/dbraw/zinc/03/73/18/532037318.db2.gz NRIOPFXTRFICBS-KRWDZBQOSA-N 1 2 376.869 2.361 20 0 GEADLO COc1ccc(Br)cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173876105 532040398 /nfs/dbraw/zinc/04/03/98/532040398.db2.gz RHWMXNVMAOKYFV-CYBMUJFWSA-N 1 2 384.274 2.396 20 0 GEADLO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173895068 532040491 /nfs/dbraw/zinc/04/04/91/532040491.db2.gz XPOMODIGWXQLII-GFCCVEGCSA-N 1 2 394.324 2.264 20 0 GEADLO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173895714 532041006 /nfs/dbraw/zinc/04/10/06/532041006.db2.gz KCGXAKJKPZTDPF-GFCCVEGCSA-N 1 2 394.324 2.264 20 0 GEADLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(I)cc2Cl)C1 ZINC000173942966 532043848 /nfs/dbraw/zinc/04/38/48/532043848.db2.gz SCAYZCAJWCHUTJ-NSHDSACASA-N 1 2 380.613 2.214 20 0 GEADLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(I)cc2Cl)C1 ZINC000173942966 532043850 /nfs/dbraw/zinc/04/38/50/532043850.db2.gz SCAYZCAJWCHUTJ-NSHDSACASA-N 1 2 380.613 2.214 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)cc2Br)CC1 ZINC000121822399 532048575 /nfs/dbraw/zinc/04/85/75/532048575.db2.gz NESIGHXQYWMHIP-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)cc2Br)CC1 ZINC000121822399 532048583 /nfs/dbraw/zinc/04/85/83/532048583.db2.gz NESIGHXQYWMHIP-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000174113468 532050005 /nfs/dbraw/zinc/05/00/05/532050005.db2.gz PTYVYZISYDJLGR-UHFFFAOYSA-N 1 2 380.436 2.414 20 0 GEADLO O=C(COc1ccc2ccccc2c1Br)N1CC[NH+](CCO)CC1 ZINC000121853101 532050153 /nfs/dbraw/zinc/05/01/53/532050153.db2.gz KTTTYINQBPXHIS-UHFFFAOYSA-N 1 2 393.281 2.118 20 0 GEADLO O=C(c1[nH]nc2ccc(Br)cc21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174176465 532053318 /nfs/dbraw/zinc/05/33/18/532053318.db2.gz JUBXGKITLWTEHP-LBPRGKRZSA-N 1 2 393.285 2.120 20 0 GEADLO C[C@H](NC(=O)C[N@H+](CCC(F)(F)F)C[C@H](O)CO)c1ccccc1Cl ZINC000122152483 532058339 /nfs/dbraw/zinc/05/83/39/532058339.db2.gz WQXNQMLREQHPBN-RYUDHWBXSA-N 1 2 382.810 2.125 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c1ccccc1Cl ZINC000122152483 532058344 /nfs/dbraw/zinc/05/83/44/532058344.db2.gz WQXNQMLREQHPBN-RYUDHWBXSA-N 1 2 382.810 2.125 20 0 GEADLO CC(C)OC(=O)[C@@H](C)C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000174281120 532060259 /nfs/dbraw/zinc/06/02/59/532060259.db2.gz MHEIREJRDZYXBY-ZANVPECISA-N 1 2 375.238 2.292 20 0 GEADLO C[C@@H](CO[C@@H]1CCOC1)NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000122188608 532061938 /nfs/dbraw/zinc/06/19/38/532061938.db2.gz HHNRQNJWYPMNEY-SMDDNHRTSA-N 1 2 397.273 2.090 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccccc1C(F)(F)F ZINC000122538628 532073951 /nfs/dbraw/zinc/07/39/51/532073951.db2.gz MHZXKSBSFDHCQK-CHWSQXEVSA-N 1 2 378.416 2.237 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccccc1C(F)(F)F ZINC000122538628 532073953 /nfs/dbraw/zinc/07/39/53/532073953.db2.gz MHZXKSBSFDHCQK-CHWSQXEVSA-N 1 2 378.416 2.237 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000174842962 532080577 /nfs/dbraw/zinc/08/05/77/532080577.db2.gz NIGGZAKSIIAKMH-CYBMUJFWSA-N 1 2 381.523 2.047 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000174842962 532080584 /nfs/dbraw/zinc/08/05/84/532080584.db2.gz NIGGZAKSIIAKMH-CYBMUJFWSA-N 1 2 381.523 2.047 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000122687951 532079757 /nfs/dbraw/zinc/07/97/57/532079757.db2.gz KNSDTWDQMZWPAL-CHWSQXEVSA-N 1 2 378.897 2.253 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000122687951 532079764 /nfs/dbraw/zinc/07/97/64/532079764.db2.gz KNSDTWDQMZWPAL-CHWSQXEVSA-N 1 2 378.897 2.253 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000122688665 532080002 /nfs/dbraw/zinc/08/00/02/532080002.db2.gz YZUCXZHAOCTJRA-NEPJUHHUSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000122688665 532080008 /nfs/dbraw/zinc/08/00/08/532080008.db2.gz YZUCXZHAOCTJRA-NEPJUHHUSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000122754807 532082694 /nfs/dbraw/zinc/08/26/94/532082694.db2.gz HMXXANWTMXTCEW-VXGBXAGGSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[N@H+]1C[C@@H](C)O ZINC000122754807 532082702 /nfs/dbraw/zinc/08/27/02/532082702.db2.gz HMXXANWTMXTCEW-VXGBXAGGSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000174842953 532081474 /nfs/dbraw/zinc/08/14/74/532081474.db2.gz NIGGZAKSIIAKMH-ZDUSSCGKSA-N 1 2 381.523 2.047 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000174842953 532081479 /nfs/dbraw/zinc/08/14/79/532081479.db2.gz NIGGZAKSIIAKMH-ZDUSSCGKSA-N 1 2 381.523 2.047 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)c1ccc(I)c(Cl)c1 ZINC000174915176 532082346 /nfs/dbraw/zinc/08/23/46/532082346.db2.gz CPPWZYQNJGVKOX-UHFFFAOYSA-N 1 2 394.640 2.007 20 0 GEADLO CCOC(=O)c1nc(NCC2([NH+]3CCOCC3)CC2)ccc1Br ZINC000603361989 532090700 /nfs/dbraw/zinc/09/07/00/532090700.db2.gz MYUWNBNWBUFNIQ-UHFFFAOYSA-N 1 2 384.274 2.298 20 0 GEADLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000175154597 532091657 /nfs/dbraw/zinc/09/16/57/532091657.db2.gz VELUGULYAPRTNP-CQSZACIVSA-N 1 2 396.329 2.462 20 0 GEADLO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000175219625 532094000 /nfs/dbraw/zinc/09/40/00/532094000.db2.gz WDOYSMBYCCHEQD-UHFFFAOYSA-N 1 2 386.279 2.079 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c(Cl)cc1Cl ZINC000175244587 532094431 /nfs/dbraw/zinc/09/44/31/532094431.db2.gz WIAAAUUXRCMEFM-UHFFFAOYSA-N 1 2 393.292 2.249 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000123240361 532096528 /nfs/dbraw/zinc/09/65/28/532096528.db2.gz JQRKYIGMZJQHCT-OAHLLOKOSA-N 1 2 381.325 2.212 20 0 GEADLO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000123235349 532096591 /nfs/dbraw/zinc/09/65/91/532096591.db2.gz YRNZAJGHPIHFFB-SMDDNHRTSA-N 1 2 378.416 2.002 20 0 GEADLO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000123235349 532096593 /nfs/dbraw/zinc/09/65/93/532096593.db2.gz YRNZAJGHPIHFFB-SMDDNHRTSA-N 1 2 378.416 2.002 20 0 GEADLO C[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000175618616 532109126 /nfs/dbraw/zinc/10/91/26/532109126.db2.gz OCUMQHGKAFBEEJ-OCCSQVGLSA-N 1 2 390.311 2.389 20 0 GEADLO CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000175936663 532119532 /nfs/dbraw/zinc/11/95/32/532119532.db2.gz YXFBEJSHOGLYOI-ZDUSSCGKSA-N 1 2 380.901 2.486 20 0 GEADLO CN(CCCn1cc[nH+]c1)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000124356832 532120141 /nfs/dbraw/zinc/12/01/41/532120141.db2.gz CGGALWLRZHQBGB-UHFFFAOYSA-N 1 2 386.315 2.441 20 0 GEADLO O=C(c1cnn2cc(Br)cnc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000124418674 532120689 /nfs/dbraw/zinc/12/06/89/532120689.db2.gz GVHPYDQTRLNCFV-UHFFFAOYSA-N 1 2 375.230 2.166 20 0 GEADLO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCn2cc[nH+]c2)c1 ZINC000176537231 532140136 /nfs/dbraw/zinc/14/01/36/532140136.db2.gz ALMLQCZMDQJTMX-UHFFFAOYSA-N 1 2 384.889 2.043 20 0 GEADLO Cc1nc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)sc1Br ZINC000125510677 532137361 /nfs/dbraw/zinc/13/73/61/532137361.db2.gz BEGWQXRDOYQRSR-SECBINFHSA-N 1 2 394.316 2.388 20 0 GEADLO O=C(Nc1cccc(Br)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127438150 532153729 /nfs/dbraw/zinc/15/37/29/532153729.db2.gz DXCRXNWRNGOFPL-UHFFFAOYSA-N 1 2 389.253 2.131 20 0 GEADLO COCC[C@](C)(O)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000176672671 532145439 /nfs/dbraw/zinc/14/54/39/532145439.db2.gz DIYWPCWDVBACLB-WMZOPIPTSA-N 1 2 399.329 2.490 20 0 GEADLO Cc1csc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 ZINC000126206507 532146016 /nfs/dbraw/zinc/14/60/16/532146016.db2.gz LUJHEPFCGNZSJF-AWEZNQCLSA-N 1 2 381.523 2.323 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)sc1Br ZINC000176942879 532156723 /nfs/dbraw/zinc/15/67/23/532156723.db2.gz LDRUBTPAEFDNBR-NSHDSACASA-N 1 2 377.329 2.454 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1)NC(=O)NCC(F)(F)F ZINC000128222345 532162144 /nfs/dbraw/zinc/16/21/44/532162144.db2.gz PJFKIECYXBADDG-JTQLQIEISA-N 1 2 379.766 2.181 20 0 GEADLO O=C(C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1)NC(=O)NCC(F)(F)F ZINC000128222345 532162151 /nfs/dbraw/zinc/16/21/51/532162151.db2.gz PJFKIECYXBADDG-JTQLQIEISA-N 1 2 379.766 2.181 20 0 GEADLO C[C@@H](CNC(=O)c1cc(Cl)cc(Br)c1O)N1CC[NH+](C)CC1 ZINC000177168080 532164152 /nfs/dbraw/zinc/16/41/52/532164152.db2.gz HSYNNBPCFRDIPU-JTQLQIEISA-N 1 2 390.709 2.174 20 0 GEADLO O=C(C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1)N1CCCC1 ZINC000177675193 532178831 /nfs/dbraw/zinc/17/88/31/532178831.db2.gz LTJKAOVQXYWWPQ-UHFFFAOYSA-N 1 2 384.293 2.328 20 0 GEADLO Cc1nc(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)sc1C ZINC000177695215 532179615 /nfs/dbraw/zinc/17/96/15/532179615.db2.gz FYGZYFPOIXSVIG-UHFFFAOYSA-N 1 2 375.523 2.147 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000129877102 532185682 /nfs/dbraw/zinc/18/56/82/532185682.db2.gz ORADSLLNYODHDD-SNVBAGLBSA-N 1 2 394.324 2.321 20 0 GEADLO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000129584314 532180973 /nfs/dbraw/zinc/18/09/73/532180973.db2.gz YBZCVUAOGXZYBX-UHFFFAOYSA-N 1 2 386.677 2.348 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000129802108 532184618 /nfs/dbraw/zinc/18/46/18/532184618.db2.gz WDHXHHUVHBMJCT-UHFFFAOYSA-N 1 2 391.269 2.083 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000129798904 532185280 /nfs/dbraw/zinc/18/52/80/532185280.db2.gz YVRNOPBCQCBCPZ-UHFFFAOYSA-N 1 2 383.221 2.272 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)c1cc(F)c(F)cc1I ZINC000177600069 532176543 /nfs/dbraw/zinc/17/65/43/532176543.db2.gz OUMJMEFABUUCLX-UHFFFAOYSA-N 1 2 377.132 2.265 20 0 GEADLO COc1ccc(Br)cc1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000129878563 532185845 /nfs/dbraw/zinc/18/58/45/532185845.db2.gz WOOSSXCKGBDFCO-UHFFFAOYSA-N 1 2 395.257 2.141 20 0 GEADLO NS(=O)(=O)CC1CC[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000129865040 532185992 /nfs/dbraw/zinc/18/59/92/532185992.db2.gz BXMFJNFTCOKOPS-JOCHJYFZSA-N 1 2 399.365 2.102 20 0 GEADLO CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000131883555 532205280 /nfs/dbraw/zinc/20/52/80/532205280.db2.gz QLUDIWPPEZWHPA-ZFWWWQNUSA-N 1 2 383.480 2.430 20 0 GEADLO CCOC(=O)CCCC[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000132357919 532213550 /nfs/dbraw/zinc/21/35/50/532213550.db2.gz NNPWGHHAPMFZAQ-UHFFFAOYSA-N 1 2 388.917 2.380 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131764575 532203565 /nfs/dbraw/zinc/20/35/65/532203565.db2.gz QBVHQEZKERNKKS-CXAGYDPISA-N 1 2 397.313 2.493 20 0 GEADLO CC(C)OCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000133338095 532232185 /nfs/dbraw/zinc/23/21/85/532232185.db2.gz HKPJNXZRIWWMDD-SJORKVTESA-N 1 2 390.933 2.056 20 0 GEADLO CC(C)OCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000133338095 532232188 /nfs/dbraw/zinc/23/21/88/532232188.db2.gz HKPJNXZRIWWMDD-SJORKVTESA-N 1 2 390.933 2.056 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NS(=O)(=O)c2cccnc2)c2ccc(Cl)cc2)C1 ZINC000133352243 532232497 /nfs/dbraw/zinc/23/24/97/532232497.db2.gz QVUXESVJKHMCFO-DLBZAZTESA-N 1 2 381.885 2.085 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NS(=O)(=O)c2cccnc2)c2ccc(Cl)cc2)C1 ZINC000133352243 532232498 /nfs/dbraw/zinc/23/24/98/532232498.db2.gz QVUXESVJKHMCFO-DLBZAZTESA-N 1 2 381.885 2.085 20 0 GEADLO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000179551191 532234751 /nfs/dbraw/zinc/23/47/51/532234751.db2.gz TYCRUARVRXRBNZ-LBPRGKRZSA-N 1 2 389.315 2.067 20 0 GEADLO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000179551191 532234756 /nfs/dbraw/zinc/23/47/56/532234756.db2.gz TYCRUARVRXRBNZ-LBPRGKRZSA-N 1 2 389.315 2.067 20 0 GEADLO CC(C)N(CCS(C)(=O)=O)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000133792895 532243602 /nfs/dbraw/zinc/24/36/02/532243602.db2.gz JHJKNDKMKVCJDV-UHFFFAOYSA-N 1 2 387.571 2.177 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000133935873 532245982 /nfs/dbraw/zinc/24/59/82/532245982.db2.gz GEEVUHFHHHKYOV-QGZVFWFLSA-N 1 2 389.297 2.188 20 0 GEADLO O[C@H](COC[C@H]1CCCO1)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000133923164 532246086 /nfs/dbraw/zinc/24/60/86/532246086.db2.gz MPUWDDALPJBHMI-LSDHHAIUSA-N 1 2 390.311 2.067 20 0 GEADLO C[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@H]1n1cc[nH+]c1 ZINC000179881648 532247971 /nfs/dbraw/zinc/24/79/71/532247971.db2.gz NGTGYYYLQXHYIK-DGCLKSJQSA-N 1 2 392.257 2.089 20 0 GEADLO CC(C)[C@@H](CNC(=O)c1ccc(Br)c(O)c1)[NH+]1CCN(C)CC1 ZINC000133543699 532237663 /nfs/dbraw/zinc/23/76/63/532237663.db2.gz RVDIGERWYBGMOC-OAHLLOKOSA-N 1 2 384.318 2.157 20 0 GEADLO CC(C)[C@@H](CNC(=O)c1ccc(Br)c(O)c1)N1CC[NH+](C)CC1 ZINC000133543699 532237672 /nfs/dbraw/zinc/23/76/72/532237672.db2.gz RVDIGERWYBGMOC-OAHLLOKOSA-N 1 2 384.318 2.157 20 0 GEADLO COCCC[N@H+](Cc1c(C2CC2)nc2sccn12)[C@@H]1CCS(=O)(=O)C1 ZINC000179605727 532238250 /nfs/dbraw/zinc/23/82/50/532238250.db2.gz ZZUVTUXMDKHZJN-CQSZACIVSA-N 1 2 383.539 2.299 20 0 GEADLO COCCC[N@@H+](Cc1c(C2CC2)nc2sccn12)[C@@H]1CCS(=O)(=O)C1 ZINC000179605727 532238253 /nfs/dbraw/zinc/23/82/53/532238253.db2.gz ZZUVTUXMDKHZJN-CQSZACIVSA-N 1 2 383.539 2.299 20 0 GEADLO CC[C@]1(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CCC[NH2+]1 ZINC000134470353 532256882 /nfs/dbraw/zinc/25/68/82/532256882.db2.gz OJECKQRLOSODFD-MRXNPFEDSA-N 1 2 378.274 2.383 20 0 GEADLO CC[C@]1(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CCC[NH2+]1 ZINC000134470353 532256885 /nfs/dbraw/zinc/25/68/85/532256885.db2.gz OJECKQRLOSODFD-MRXNPFEDSA-N 1 2 378.274 2.383 20 0 GEADLO C[C@H](NC(=O)NCCOc1ncc(Cl)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000134767518 532262472 /nfs/dbraw/zinc/26/24/72/532262472.db2.gz IXDHQUAEBKRTQL-RYUDHWBXSA-N 1 2 391.299 2.176 20 0 GEADLO C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1O)[C@@H]1C[N@H+](C)CCO1 ZINC000134970863 532265118 /nfs/dbraw/zinc/26/51/18/532265118.db2.gz YLDVSIKWNPHMMG-PELKAZGASA-N 1 2 377.666 2.257 20 0 GEADLO C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000134970863 532265123 /nfs/dbraw/zinc/26/51/23/532265123.db2.gz YLDVSIKWNPHMMG-PELKAZGASA-N 1 2 377.666 2.257 20 0 GEADLO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000135686177 532278495 /nfs/dbraw/zinc/27/84/95/532278495.db2.gz QRGWFPFOZTTZBF-UHFFFAOYSA-N 1 2 395.257 2.188 20 0 GEADLO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000136227185 532283137 /nfs/dbraw/zinc/28/31/37/532283137.db2.gz FWXNTBMLOHXSEQ-GOEBONIOSA-N 1 2 395.297 2.248 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139017979 532292174 /nfs/dbraw/zinc/29/21/74/532292174.db2.gz YJVDCSHDIVBSHD-AWEZNQCLSA-N 1 2 395.301 2.186 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139017979 532292175 /nfs/dbraw/zinc/29/21/75/532292175.db2.gz YJVDCSHDIVBSHD-AWEZNQCLSA-N 1 2 395.301 2.186 20 0 GEADLO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000140454391 532293486 /nfs/dbraw/zinc/29/34/86/532293486.db2.gz PJVMMDITFHGCJK-WBVHZDCISA-N 1 2 384.567 2.384 20 0 GEADLO CC(C)[C@@H]1CCC[N@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000140454391 532293491 /nfs/dbraw/zinc/29/34/91/532293491.db2.gz PJVMMDITFHGCJK-WBVHZDCISA-N 1 2 384.567 2.384 20 0 GEADLO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cn1 ZINC000181695393 532304942 /nfs/dbraw/zinc/30/49/42/532304942.db2.gz UDQZMORPNWSKBR-HNNXBMFYSA-N 1 2 389.308 2.203 20 0 GEADLO CS(=O)(=O)C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccccc1 ZINC000181780565 532306636 /nfs/dbraw/zinc/30/66/36/532306636.db2.gz FBIDXDQWGSLCRG-AWEZNQCLSA-N 1 2 386.926 2.393 20 0 GEADLO C[N@H+](C[C@H](O)COc1ccccc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181065955 532290237 /nfs/dbraw/zinc/29/02/37/532290237.db2.gz TZNMILLXRNOPFO-RDJZCZTQSA-N 1 2 393.281 2.347 20 0 GEADLO C[N@@H+](C[C@H](O)COc1ccccc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181065955 532290239 /nfs/dbraw/zinc/29/02/39/532290239.db2.gz TZNMILLXRNOPFO-RDJZCZTQSA-N 1 2 393.281 2.347 20 0 GEADLO CN(CC[NH+]1CCOCC1)Cc1cc2c(cc1Br)OCCCO2 ZINC000182218682 532310715 /nfs/dbraw/zinc/31/07/15/532310715.db2.gz NKNHKFZJDYTVCS-UHFFFAOYSA-N 1 2 385.302 2.374 20 0 GEADLO C[N@H+](CCN1CCOCC1)Cc1cc2c(cc1Br)OCCCO2 ZINC000182218682 532310718 /nfs/dbraw/zinc/31/07/18/532310718.db2.gz NKNHKFZJDYTVCS-UHFFFAOYSA-N 1 2 385.302 2.374 20 0 GEADLO C[N@@H+](CCN1CCOCC1)Cc1cc2c(cc1Br)OCCCO2 ZINC000182218682 532310721 /nfs/dbraw/zinc/31/07/21/532310721.db2.gz NKNHKFZJDYTVCS-UHFFFAOYSA-N 1 2 385.302 2.374 20 0 GEADLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)CC1 ZINC000182402851 532312998 /nfs/dbraw/zinc/31/29/98/532312998.db2.gz KUUITPUXJSEMPL-ZDUSSCGKSA-N 1 2 380.432 2.091 20 0 GEADLO O=S(=O)(c1ccccc1Cl)N1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000182605357 532315241 /nfs/dbraw/zinc/31/52/41/532315241.db2.gz RSKKJFSMSXOYJN-UHFFFAOYSA-N 1 2 380.897 2.339 20 0 GEADLO CCOC(=O)C[C@H](C)[N@H+](C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000182626953 532315405 /nfs/dbraw/zinc/31/54/05/532315405.db2.gz ARMQHYNIWUNNCL-LBPRGKRZSA-N 1 2 392.315 2.496 20 0 GEADLO CCOC(=O)C[C@H](C)[N@@H+](C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000182626953 532315406 /nfs/dbraw/zinc/31/54/06/532315406.db2.gz ARMQHYNIWUNNCL-LBPRGKRZSA-N 1 2 392.315 2.496 20 0 GEADLO COc1ccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)nc1Br ZINC000182670735 532316633 /nfs/dbraw/zinc/31/66/33/532316633.db2.gz FRVUMHWEADBONW-UHFFFAOYSA-N 1 2 391.269 2.206 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O)c1ccc(Br)cc1 ZINC000185907376 532339068 /nfs/dbraw/zinc/33/90/68/532339068.db2.gz WLZHBBZVEKMIMY-PXAZEXFGSA-N 1 2 382.302 2.356 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O)c1ccc(Br)cc1 ZINC000185907376 532339069 /nfs/dbraw/zinc/33/90/69/532339069.db2.gz WLZHBBZVEKMIMY-PXAZEXFGSA-N 1 2 382.302 2.356 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000186047852 532339718 /nfs/dbraw/zinc/33/97/18/532339718.db2.gz AQHPIWHZJZOQPC-LBPRGKRZSA-N 1 2 380.794 2.124 20 0 GEADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000186939692 532342636 /nfs/dbraw/zinc/34/26/36/532342636.db2.gz VNIASKVPDMLVBB-LLVKDONJSA-N 1 2 395.301 2.243 20 0 GEADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000186939692 532342637 /nfs/dbraw/zinc/34/26/37/532342637.db2.gz VNIASKVPDMLVBB-LLVKDONJSA-N 1 2 395.301 2.243 20 0 GEADLO COCCC[N@H+](Cc1sc(C)nc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000183611699 532326656 /nfs/dbraw/zinc/32/66/56/532326656.db2.gz DLRJGFLBBGGTQR-LLVKDONJSA-N 1 2 386.461 2.496 20 0 GEADLO COCCC[N@@H+](Cc1sc(C)nc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000183611699 532326657 /nfs/dbraw/zinc/32/66/57/532326657.db2.gz DLRJGFLBBGGTQR-LLVKDONJSA-N 1 2 386.461 2.496 20 0 GEADLO COCCC[N@H+](Cc1sc(C)nc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000183611720 532326783 /nfs/dbraw/zinc/32/67/83/532326783.db2.gz DLRJGFLBBGGTQR-NSHDSACASA-N 1 2 386.461 2.496 20 0 GEADLO COCCC[N@@H+](Cc1sc(C)nc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000183611720 532326784 /nfs/dbraw/zinc/32/67/84/532326784.db2.gz DLRJGFLBBGGTQR-NSHDSACASA-N 1 2 386.461 2.496 20 0 GEADLO CCN(C(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000184496252 532333233 /nfs/dbraw/zinc/33/32/33/532333233.db2.gz UTHUTVYXTJJXAG-CHWSQXEVSA-N 1 2 387.571 2.127 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184836420 532334863 /nfs/dbraw/zinc/33/48/63/532334863.db2.gz LEJGMULEQOJXKU-SMDDNHRTSA-N 1 2 380.432 2.105 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184836387 532334869 /nfs/dbraw/zinc/33/48/69/532334869.db2.gz LEJGMULEQOJXKU-FZMZJTMJSA-N 1 2 380.432 2.105 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000188318135 532347816 /nfs/dbraw/zinc/34/78/16/532347816.db2.gz RHMJXEYDYXQAAC-LBPRGKRZSA-N 1 2 388.917 2.008 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000188318135 532347817 /nfs/dbraw/zinc/34/78/17/532347817.db2.gz RHMJXEYDYXQAAC-LBPRGKRZSA-N 1 2 388.917 2.008 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCO[C@H](c2ccccc2Br)C1 ZINC000188460311 532348319 /nfs/dbraw/zinc/34/83/19/532348319.db2.gz VXKDEPCUCXNRMC-HNNXBMFYSA-N 1 2 391.269 2.032 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1nc(Br)cs1 ZINC000188763429 532349505 /nfs/dbraw/zinc/34/95/05/532349505.db2.gz AUNMAKYVJOODBK-UHFFFAOYSA-N 1 2 383.271 2.067 20 0 GEADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000188775361 532349624 /nfs/dbraw/zinc/34/96/24/532349624.db2.gz ZHPGJQSOIXKXEK-ZBFHGGJFSA-N 1 2 382.254 2.223 20 0 GEADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000188775361 532349625 /nfs/dbraw/zinc/34/96/25/532349625.db2.gz ZHPGJQSOIXKXEK-ZBFHGGJFSA-N 1 2 382.254 2.223 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)ncc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000188848354 532349799 /nfs/dbraw/zinc/34/97/99/532349799.db2.gz JQYPGFGYHUCVLY-NXEZZACHSA-N 1 2 376.682 2.337 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(Br)ncc1Cl ZINC000188841540 532349864 /nfs/dbraw/zinc/34/98/64/532349864.db2.gz BUYIQSWCIWZVKS-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(Br)ncc1Cl ZINC000188841540 532349865 /nfs/dbraw/zinc/34/98/65/532349865.db2.gz BUYIQSWCIWZVKS-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)NCc1cccc(C)c1Br ZINC000189531444 532352618 /nfs/dbraw/zinc/35/26/18/532352618.db2.gz VXKWANMBYJNVFC-UHFFFAOYSA-N 1 2 378.226 2.416 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(CC(F)(F)F)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000189949813 532354253 /nfs/dbraw/zinc/35/42/53/532354253.db2.gz NNRLUWLPXONGGY-OLZOCXBDSA-N 1 2 380.432 2.179 20 0 GEADLO CCN1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1=O ZINC000190527826 532356616 /nfs/dbraw/zinc/35/66/16/532356616.db2.gz XAGCMQVOXAROFE-INIZCTEOSA-N 1 2 380.286 2.234 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000190849720 532358370 /nfs/dbraw/zinc/35/83/70/532358370.db2.gz PNEBEFCYRBZGRA-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000190849720 532358371 /nfs/dbraw/zinc/35/83/71/532358371.db2.gz PNEBEFCYRBZGRA-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C[C@@H]2CCCO2)C1 ZINC000187358675 532344129 /nfs/dbraw/zinc/34/41/29/532344129.db2.gz IBOXDOPZPNMKAG-JKIFEVAISA-N 1 2 391.892 2.181 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C[C@@H]2CCCO2)C1 ZINC000187358675 532344130 /nfs/dbraw/zinc/34/41/30/532344130.db2.gz IBOXDOPZPNMKAG-JKIFEVAISA-N 1 2 391.892 2.181 20 0 GEADLO CC(C)(C(=O)NC[C@@H](O)COc1ccccc1Br)c1c[nH]c[nH+]1 ZINC000621918680 532372007 /nfs/dbraw/zinc/37/20/07/532372007.db2.gz LNQFAWHIZMYZMP-LLVKDONJSA-N 1 2 382.258 2.006 20 0 GEADLO O=C(c1cscc1C(F)(F)F)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000621913206 532372213 /nfs/dbraw/zinc/37/22/13/532372213.db2.gz GJQLLMNGLRUDCE-GFCCVEGCSA-N 1 2 378.416 2.330 20 0 GEADLO CC(C)(C(=O)NC[C@@H](CO)Cc1ccccc1Br)c1c[nH]c[nH+]1 ZINC000621973546 532375365 /nfs/dbraw/zinc/37/53/65/532375365.db2.gz PHTCLSOTQJZNGY-LBPRGKRZSA-N 1 2 380.286 2.417 20 0 GEADLO CCOC(=O)c1csc(C2CC[NH+](CC(=O)NCC(F)(F)F)CC2)n1 ZINC000191576570 532361522 /nfs/dbraw/zinc/36/15/22/532361522.db2.gz FOFWDRXYTOPSPE-UHFFFAOYSA-N 1 2 379.404 2.178 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2c(F)cccc2Br)C1 ZINC000278401785 532378451 /nfs/dbraw/zinc/37/84/51/532378451.db2.gz WQHWOEYSMUPIEI-CHWSQXEVSA-N 1 2 376.266 2.434 20 0 GEADLO CS(=O)(=O)[C@H]1CCCC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000277893499 532365960 /nfs/dbraw/zinc/36/59/60/532365960.db2.gz WCOFGKYIGUOLEV-WFASDCNBSA-N 1 2 376.316 2.382 20 0 GEADLO CS(=O)(=O)[C@H]1CCCC[N@@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000277893499 532365967 /nfs/dbraw/zinc/36/59/67/532365967.db2.gz WCOFGKYIGUOLEV-WFASDCNBSA-N 1 2 376.316 2.382 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000278401785 532378458 /nfs/dbraw/zinc/37/84/58/532378458.db2.gz WQHWOEYSMUPIEI-CHWSQXEVSA-N 1 2 376.266 2.434 20 0 GEADLO Cc1nc(N2CCN(S(=O)(=O)CCc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000425174858 532368144 /nfs/dbraw/zinc/36/81/44/532368144.db2.gz FUJHHBHXJTYQKG-UHFFFAOYSA-N 1 2 380.901 2.133 20 0 GEADLO C[C@]1(CNC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCOC1 ZINC000515602930 532369335 /nfs/dbraw/zinc/36/93/35/532369335.db2.gz BMXQBMWSIYYMBY-MRXNPFEDSA-N 1 2 399.289 2.229 20 0 GEADLO Cc1ccc(Br)nc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000191826364 532369427 /nfs/dbraw/zinc/36/94/27/532369427.db2.gz GKXKOFAXHFQTNJ-UHFFFAOYSA-N 1 2 391.269 2.314 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1cccc(Cl)c1Br ZINC000191852020 532370290 /nfs/dbraw/zinc/37/02/90/532370290.db2.gz GDQQZXGHUFMDEM-UHFFFAOYSA-N 1 2 385.649 2.444 20 0 GEADLO CC(C)(C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)S(C)(=O)=O ZINC000677245323 532370820 /nfs/dbraw/zinc/37/08/20/532370820.db2.gz LXTMEGXVUHLJRX-UHFFFAOYSA-N 1 2 377.297 2.487 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000621896128 532371232 /nfs/dbraw/zinc/37/12/32/532371232.db2.gz NVEDVRFGHKQNGL-UHFFFAOYSA-N 1 2 399.285 2.361 20 0 GEADLO CN(CCO)c1ccc(NCc2ccc(I)cc2)[nH+]c1 ZINC000590646760 532379630 /nfs/dbraw/zinc/37/96/30/532379630.db2.gz IOVKCNCUDZFCTH-UHFFFAOYSA-N 1 2 383.233 2.727 20 0 GEADLO CC[S@](=O)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000294768802 532380130 /nfs/dbraw/zinc/38/01/30/532380130.db2.gz ABLBSLCLHRCNIQ-QFIPXVFZSA-N 1 2 387.343 2.298 20 0 GEADLO O=C(c1cccc(Cl)c1)N1CCC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000677679762 532381043 /nfs/dbraw/zinc/38/10/43/532381043.db2.gz XHNXSVKUCUMYFH-OAHLLOKOSA-N 1 2 384.929 2.313 20 0 GEADLO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000677679762 532381051 /nfs/dbraw/zinc/38/10/51/532381051.db2.gz XHNXSVKUCUMYFH-OAHLLOKOSA-N 1 2 384.929 2.313 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CC(C[NH+]2CCOCC2)C1 ZINC000647887665 532381823 /nfs/dbraw/zinc/38/18/23/532381823.db2.gz FXZJTSKMBRBISN-UHFFFAOYSA-N 1 2 398.834 2.312 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000647887096 532382645 /nfs/dbraw/zinc/38/26/45/532382645.db2.gz JMENBPMZLGHSGM-UHFFFAOYSA-N 1 2 398.834 2.312 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)[C@@H]1CCCC[C@@H]1OC)[NH+]1CCOCC1 ZINC000647894937 532382941 /nfs/dbraw/zinc/38/29/41/532382941.db2.gz APHDRKSZQSVZMY-OKZBNKHCSA-N 1 2 376.563 2.000 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[NH+](CCOC(C)C)CC2)c(Cl)c1 ZINC000558076691 532383197 /nfs/dbraw/zinc/38/31/97/532383197.db2.gz QHCNIKOMHMJWAZ-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2c(Cl)cncc2Cl)CC1 ZINC000294802075 532384960 /nfs/dbraw/zinc/38/49/60/532384960.db2.gz OZMYHOYAMWZTQW-UHFFFAOYSA-N 1 2 387.311 2.405 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2c(Cl)cncc2Cl)CC1 ZINC000294802075 532384967 /nfs/dbraw/zinc/38/49/67/532384967.db2.gz OZMYHOYAMWZTQW-UHFFFAOYSA-N 1 2 387.311 2.405 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)s1 ZINC000425393762 532385321 /nfs/dbraw/zinc/38/53/21/532385321.db2.gz DHKYGZCAEGZJSH-UHFFFAOYSA-N 1 2 386.568 2.167 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCCN(c3nccs3)CC2)s1 ZINC000425393762 532385329 /nfs/dbraw/zinc/38/53/29/532385329.db2.gz DHKYGZCAEGZJSH-UHFFFAOYSA-N 1 2 386.568 2.167 20 0 GEADLO CO[C@@H](c1ccccc1Cl)[C@@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463850162 532385637 /nfs/dbraw/zinc/38/56/37/532385637.db2.gz LWDCSFJFKQFIMS-RHSMWYFYSA-N 1 2 390.933 2.058 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1Br ZINC000516471040 532385746 /nfs/dbraw/zinc/38/57/46/532385746.db2.gz BKZIVBKAVYZHEE-UHFFFAOYSA-N 1 2 379.258 2.489 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000623304267 532386043 /nfs/dbraw/zinc/38/60/43/532386043.db2.gz VDYANOSDWPOIIO-LLVKDONJSA-N 1 2 378.226 2.162 20 0 GEADLO COc1cc(C[N@@H+]2CCOC[C@H](O)C2)cc(Br)c1OC(F)F ZINC000294837378 532386208 /nfs/dbraw/zinc/38/62/08/532386208.db2.gz QQTZJNLXZVJALV-SNVBAGLBSA-N 1 2 382.201 2.252 20 0 GEADLO COc1cc(C[N@H+]2CCOC[C@H](O)C2)cc(Br)c1OC(F)F ZINC000294837378 532386211 /nfs/dbraw/zinc/38/62/11/532386211.db2.gz QQTZJNLXZVJALV-SNVBAGLBSA-N 1 2 382.201 2.252 20 0 GEADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cnc(-c2ccccc2Cl)s1 ZINC000677931492 532386432 /nfs/dbraw/zinc/38/64/32/532386432.db2.gz ODWIOSSVOGWXNQ-UHFFFAOYSA-N 1 2 378.885 2.015 20 0 GEADLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1cnc(-c2ccccc2Cl)s1 ZINC000677931492 532386435 /nfs/dbraw/zinc/38/64/35/532386435.db2.gz ODWIOSSVOGWXNQ-UHFFFAOYSA-N 1 2 378.885 2.015 20 0 GEADLO Cn1nc(Br)cc1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000192125035 532387986 /nfs/dbraw/zinc/38/79/86/532387986.db2.gz MNCYIMGPKFHZKB-GFCCVEGCSA-N 1 2 387.228 2.494 20 0 GEADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(I)cn1 ZINC000590822260 532388220 /nfs/dbraw/zinc/38/82/20/532388220.db2.gz LKUGTNFZTBPJDE-UHFFFAOYSA-N 1 2 393.228 2.432 20 0 GEADLO CCc1cc(N)nc(S[C@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)[nH+]1 ZINC000279134737 532388748 /nfs/dbraw/zinc/38/87/48/532388748.db2.gz WWLBWOROADMTMN-SNVBAGLBSA-N 1 2 380.495 2.144 20 0 GEADLO CCn1nc2c(cc1=O)C[N@@H+](CCOc1ccccc1Br)CC2 ZINC000372391314 532389052 /nfs/dbraw/zinc/38/90/52/532389052.db2.gz IDHHGQLLBWPEPD-UHFFFAOYSA-N 1 2 378.270 2.463 20 0 GEADLO CCn1nc2c(cc1=O)C[N@H+](CCOc1ccccc1Br)CC2 ZINC000372391314 532389057 /nfs/dbraw/zinc/38/90/57/532389057.db2.gz IDHHGQLLBWPEPD-UHFFFAOYSA-N 1 2 378.270 2.463 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CCS(=O)(=O)C[C@@H](C)C1)c1ccsc1 ZINC000192150111 532389145 /nfs/dbraw/zinc/38/91/45/532389145.db2.gz BYWBBVXPZLNRRB-GOEBONIOSA-N 1 2 387.571 2.207 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CCS(=O)(=O)C[C@H](C)C1)c1ccsc1 ZINC000192150096 532389426 /nfs/dbraw/zinc/38/94/26/532389426.db2.gz BYWBBVXPZLNRRB-ZBFHGGJFSA-N 1 2 387.571 2.207 20 0 GEADLO CCOc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)c1OC(F)F ZINC000372405544 532390481 /nfs/dbraw/zinc/39/04/81/532390481.db2.gz WAPFTFRGMHZCES-ZDUSSCGKSA-N 1 2 378.441 2.200 20 0 GEADLO CCOc1cccc(C[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)c1OC(F)F ZINC000372405544 532390485 /nfs/dbraw/zinc/39/04/85/532390485.db2.gz WAPFTFRGMHZCES-ZDUSSCGKSA-N 1 2 378.441 2.200 20 0 GEADLO COc1c(N)[nH+]cnc1N1CCN(Cc2ccc(Br)s2)CC1 ZINC000516783523 532391090 /nfs/dbraw/zinc/39/10/90/532391090.db2.gz CPBOHYVJAPZJAM-UHFFFAOYSA-N 1 2 384.303 2.214 20 0 GEADLO COCC[C@H](C)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000464200103 532392690 /nfs/dbraw/zinc/39/26/90/532392690.db2.gz QIFPVKTVSIQONS-RRQGHBQHSA-N 1 2 390.933 2.056 20 0 GEADLO COCC[C@H](C)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000464200103 532392696 /nfs/dbraw/zinc/39/26/96/532392696.db2.gz QIFPVKTVSIQONS-RRQGHBQHSA-N 1 2 390.933 2.056 20 0 GEADLO C[N@@H+]1CCCN(CCCNC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000648323646 532393349 /nfs/dbraw/zinc/39/33/49/532393349.db2.gz XZIYUEDFQYYCDF-UHFFFAOYSA-N 1 2 388.281 2.051 20 0 GEADLO C[N@H+]1CCCN(CCCNC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000648323646 532393355 /nfs/dbraw/zinc/39/33/55/532393355.db2.gz XZIYUEDFQYYCDF-UHFFFAOYSA-N 1 2 388.281 2.051 20 0 GEADLO CN1CCC[N@H+](CCCNC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000648323646 532393365 /nfs/dbraw/zinc/39/33/65/532393365.db2.gz XZIYUEDFQYYCDF-UHFFFAOYSA-N 1 2 388.281 2.051 20 0 GEADLO CN1CCC[N@@H+](CCCNC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000648323646 532393370 /nfs/dbraw/zinc/39/33/70/532393370.db2.gz XZIYUEDFQYYCDF-UHFFFAOYSA-N 1 2 388.281 2.051 20 0 GEADLO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678310474 532393784 /nfs/dbraw/zinc/39/37/84/532393784.db2.gz KTWWQKGTGFGDFS-LBPRGKRZSA-N 1 2 375.230 2.166 20 0 GEADLO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)c(F)cc1O ZINC000295007896 532396507 /nfs/dbraw/zinc/39/65/07/532396507.db2.gz OYFDWBLLVLGGSH-NSHDSACASA-N 1 2 388.281 2.050 20 0 GEADLO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Br)c(F)cc1O ZINC000295007896 532396512 /nfs/dbraw/zinc/39/65/12/532396512.db2.gz OYFDWBLLVLGGSH-NSHDSACASA-N 1 2 388.281 2.050 20 0 GEADLO COc1ncc(Br)cc1CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000624545710 532397397 /nfs/dbraw/zinc/39/73/97/532397397.db2.gz QGHIMBOBBKTQCH-UHFFFAOYSA-N 1 2 380.246 2.091 20 0 GEADLO COc1ncc(Br)cc1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000624545710 532397406 /nfs/dbraw/zinc/39/74/06/532397406.db2.gz QGHIMBOBBKTQCH-UHFFFAOYSA-N 1 2 380.246 2.091 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3CCCCC(=O)N3)[nH+]c12 ZINC000279626283 532397503 /nfs/dbraw/zinc/39/75/03/532397503.db2.gz BHTFAPNKSNPWAV-AWEZNQCLSA-N 1 2 393.285 2.123 20 0 GEADLO COC(=O)C[C@]1([NH2+]Cc2nnc(-c3ccccc3Br)o2)CCOC1 ZINC000464603829 532400508 /nfs/dbraw/zinc/40/05/08/532400508.db2.gz BAWODKZDXVDWOC-MRXNPFEDSA-N 1 2 396.241 2.311 20 0 GEADLO C[C@H](C[S@@](C)=O)N(C)Cc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)ccc1F ZINC000295065840 532400801 /nfs/dbraw/zinc/40/08/01/532400801.db2.gz VVANYMPARIFXMM-YPEMKDIVSA-N 1 2 390.590 2.223 20 0 GEADLO C[C@H](C[S@@](C)=O)N(C)Cc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)ccc1F ZINC000295065840 532400808 /nfs/dbraw/zinc/40/08/08/532400808.db2.gz VVANYMPARIFXMM-YPEMKDIVSA-N 1 2 390.590 2.223 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000464695860 532403139 /nfs/dbraw/zinc/40/31/39/532403139.db2.gz WUXDLOVKMQPXTM-OAHLLOKOSA-N 1 2 381.416 2.248 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000464695860 532403144 /nfs/dbraw/zinc/40/31/44/532403144.db2.gz WUXDLOVKMQPXTM-OAHLLOKOSA-N 1 2 381.416 2.248 20 0 GEADLO O=C(CCOc1ccccc1I)NCCc1[nH]cc[nH+]1 ZINC000426300064 532403260 /nfs/dbraw/zinc/40/32/60/532403260.db2.gz BTCHDQHKWXLMRN-UHFFFAOYSA-N 1 2 385.205 2.142 20 0 GEADLO C[C@H](C[S@](C)=O)N(C)Cc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)ccc1F ZINC000295065838 532401453 /nfs/dbraw/zinc/40/14/53/532401453.db2.gz VVANYMPARIFXMM-WAEWCAHJSA-N 1 2 390.590 2.223 20 0 GEADLO C[C@H](C[S@](C)=O)N(C)Cc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)ccc1F ZINC000295065838 532401459 /nfs/dbraw/zinc/40/14/59/532401459.db2.gz VVANYMPARIFXMM-WAEWCAHJSA-N 1 2 390.590 2.223 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)s1 ZINC000679440109 532403898 /nfs/dbraw/zinc/40/38/98/532403898.db2.gz QEBWDEOYGZDYTA-GFCCVEGCSA-N 1 2 384.527 2.276 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)Nc1ccc(Br)cc1F ZINC000464797514 532405337 /nfs/dbraw/zinc/40/53/37/532405337.db2.gz XKSJCAYJKZLSFC-MRXNPFEDSA-N 1 2 384.249 2.129 20 0 GEADLO O=C(C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1)Nc1ccc(Br)cc1F ZINC000464797514 532405344 /nfs/dbraw/zinc/40/53/44/532405344.db2.gz XKSJCAYJKZLSFC-MRXNPFEDSA-N 1 2 384.249 2.129 20 0 GEADLO COCCCS(=O)(=O)N1CC[NH+](Cc2ccc3nc(C)sc3c2)CC1 ZINC000426416222 532405780 /nfs/dbraw/zinc/40/57/80/532405780.db2.gz GVFYXZQZENIKND-UHFFFAOYSA-N 1 2 383.539 2.089 20 0 GEADLO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000679472731 532405864 /nfs/dbraw/zinc/40/58/64/532405864.db2.gz YYLVDFKQYFGKCV-JKSUJKDBSA-N 1 2 393.336 2.354 20 0 GEADLO C[C@@]1(C(N)=O)CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000280243945 532409898 /nfs/dbraw/zinc/40/98/98/532409898.db2.gz ZZLPLPIKRRYIKC-CRAIPNDOSA-N 1 2 394.313 2.310 20 0 GEADLO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000625134629 532410479 /nfs/dbraw/zinc/41/04/79/532410479.db2.gz QZDGJTHBBIYOKU-JTQLQIEISA-N 1 2 388.262 2.386 20 0 GEADLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccncc2Br)CC1 ZINC000625135877 532412667 /nfs/dbraw/zinc/41/26/67/532412667.db2.gz HLNYSOIIVDFFDA-CQSZACIVSA-N 1 2 395.345 2.409 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000372825614 532412993 /nfs/dbraw/zinc/41/29/93/532412993.db2.gz XCJQIIDULJJXQB-LSDHHAIUSA-N 1 2 376.881 2.152 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000372825614 532413000 /nfs/dbraw/zinc/41/30/00/532413000.db2.gz XCJQIIDULJJXQB-LSDHHAIUSA-N 1 2 376.881 2.152 20 0 GEADLO CC[N@H+](CCNC(=O)c1cc(S(C)(=O)=O)ccc1C)CCC(F)(F)F ZINC000427197431 532416269 /nfs/dbraw/zinc/41/62/69/532416269.db2.gz CSEHXDQESZNDBY-UHFFFAOYSA-N 1 2 380.432 2.403 20 0 GEADLO CC[N@@H+](CCNC(=O)c1cc(S(C)(=O)=O)ccc1C)CCC(F)(F)F ZINC000427197431 532416276 /nfs/dbraw/zinc/41/62/76/532416276.db2.gz CSEHXDQESZNDBY-UHFFFAOYSA-N 1 2 380.432 2.403 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)n1 ZINC000295216756 532419678 /nfs/dbraw/zinc/41/96/78/532419678.db2.gz XIKOFODBYTUAKD-ZJUUUORDSA-N 1 2 379.404 2.460 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)n1 ZINC000295216756 532419684 /nfs/dbraw/zinc/41/96/84/532419684.db2.gz XIKOFODBYTUAKD-ZJUUUORDSA-N 1 2 379.404 2.460 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000680977693 532421177 /nfs/dbraw/zinc/42/11/77/532421177.db2.gz WCROFDANFLGNMF-HUUCEWRRSA-N 1 2 390.958 2.282 20 0 GEADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCc1cc(Cl)ccc1Br ZINC000517744649 532425547 /nfs/dbraw/zinc/42/55/47/532425547.db2.gz ZPPLHAREHJRKSW-UHFFFAOYSA-N 1 2 390.709 2.175 20 0 GEADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCc1cc(Cl)ccc1Br ZINC000517744649 532425551 /nfs/dbraw/zinc/42/55/51/532425551.db2.gz ZPPLHAREHJRKSW-UHFFFAOYSA-N 1 2 390.709 2.175 20 0 GEADLO C[N@@H+]1CCN(Cc2csc(CS(C)(=O)=O)n2)[C@@H](Cc2ccccc2)C1 ZINC000649829621 532426912 /nfs/dbraw/zinc/42/69/12/532426912.db2.gz MZBYQLNZYJHHGI-KRWDZBQOSA-N 1 2 379.551 2.046 20 0 GEADLO C[N@H+]1CCN(Cc2csc(CS(C)(=O)=O)n2)[C@@H](Cc2ccccc2)C1 ZINC000649829621 532426919 /nfs/dbraw/zinc/42/69/19/532426919.db2.gz MZBYQLNZYJHHGI-KRWDZBQOSA-N 1 2 379.551 2.046 20 0 GEADLO Clc1cnc(Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)s1 ZINC000681359421 532428363 /nfs/dbraw/zinc/42/83/63/532428363.db2.gz AIXHITQGAIJZSY-CYBMUJFWSA-N 1 2 376.873 2.405 20 0 GEADLO Clc1cnc(Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)s1 ZINC000681359421 532428370 /nfs/dbraw/zinc/42/83/70/532428370.db2.gz AIXHITQGAIJZSY-CYBMUJFWSA-N 1 2 376.873 2.405 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295258319 532427329 /nfs/dbraw/zinc/42/73/29/532427329.db2.gz LDHTWSGOZDOANG-CYBMUJFWSA-N 1 2 383.495 2.348 20 0 GEADLO O=S(=O)(CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1 ZINC000681387514 532429446 /nfs/dbraw/zinc/42/94/46/532429446.db2.gz LCHUHWRXBPUPBQ-MRXNPFEDSA-N 1 2 383.466 2.108 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)C[C@H](O)CC2(O)CCC2)c1 ZINC000625456987 532430035 /nfs/dbraw/zinc/43/00/35/532430035.db2.gz HOLIMOVRFHWTAE-MLGOLLRUSA-N 1 2 388.302 2.089 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)C[C@H](O)CC2(O)CCC2)c1 ZINC000625456987 532430037 /nfs/dbraw/zinc/43/00/37/532430037.db2.gz HOLIMOVRFHWTAE-MLGOLLRUSA-N 1 2 388.302 2.089 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCCCCS(N)(=O)=O)n2)C1 ZINC000561103920 532430764 /nfs/dbraw/zinc/43/07/64/532430764.db2.gz RGGNXYQSJWYPOF-CYBMUJFWSA-N 1 2 388.559 2.162 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCCCS(N)(=O)=O)n2)C1 ZINC000561103920 532430772 /nfs/dbraw/zinc/43/07/72/532430772.db2.gz RGGNXYQSJWYPOF-CYBMUJFWSA-N 1 2 388.559 2.162 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000626166047 532435576 /nfs/dbraw/zinc/43/55/76/532435576.db2.gz LRFCLFNPGNCVBM-SNVBAGLBSA-N 1 2 397.285 2.489 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000626166047 532435580 /nfs/dbraw/zinc/43/55/80/532435580.db2.gz LRFCLFNPGNCVBM-SNVBAGLBSA-N 1 2 397.285 2.489 20 0 GEADLO CSc1ccc([C@H](CNS(N)(=O)=O)[N@@H+]2CCc3sccc3C2)cc1 ZINC000193894751 532435897 /nfs/dbraw/zinc/43/58/97/532435897.db2.gz RQTFUSXOZOZERI-HNNXBMFYSA-N 1 2 383.564 2.363 20 0 GEADLO CSc1ccc([C@H](CNS(N)(=O)=O)[N@H+]2CCc3sccc3C2)cc1 ZINC000193894751 532435905 /nfs/dbraw/zinc/43/59/05/532435905.db2.gz RQTFUSXOZOZERI-HNNXBMFYSA-N 1 2 383.564 2.363 20 0 GEADLO CC[C@H](C)[C@@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(F)(F)F ZINC000373161480 532436194 /nfs/dbraw/zinc/43/61/94/532436194.db2.gz XXWMUIDBYHGMAX-GUTXKFCHSA-N 1 2 383.480 2.471 20 0 GEADLO CC[C@H](C)[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(F)(F)F ZINC000373161482 532436457 /nfs/dbraw/zinc/43/64/57/532436457.db2.gz XXWMUIDBYHGMAX-KCQAQPDRSA-N 1 2 383.480 2.471 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(SC)c(Cl)c2)CCO1 ZINC000427889388 532436476 /nfs/dbraw/zinc/43/64/76/532436476.db2.gz GQTNOSGWQADYSB-CYBMUJFWSA-N 1 2 385.917 2.227 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(SC)c(Cl)c2)CCO1 ZINC000427889388 532436480 /nfs/dbraw/zinc/43/64/80/532436480.db2.gz GQTNOSGWQADYSB-CYBMUJFWSA-N 1 2 385.917 2.227 20 0 GEADLO O=C(c1csc(C(F)(F)F)c1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000626105319 532433475 /nfs/dbraw/zinc/43/34/75/532433475.db2.gz BOTLJLKZCSODPC-ZDUSSCGKSA-N 1 2 378.416 2.330 20 0 GEADLO O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000518026665 532434487 /nfs/dbraw/zinc/43/44/87/532434487.db2.gz MIMSPJQINKKRAS-ZDUSSCGKSA-N 1 2 381.267 2.107 20 0 GEADLO O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000518026665 532434494 /nfs/dbraw/zinc/43/44/94/532434494.db2.gz MIMSPJQINKKRAS-ZDUSSCGKSA-N 1 2 381.267 2.107 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ncc1Br ZINC000373145860 532435009 /nfs/dbraw/zinc/43/50/09/532435009.db2.gz QRGMDTYXFKYDNZ-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ncc1Br ZINC000373145860 532435013 /nfs/dbraw/zinc/43/50/13/532435013.db2.gz QRGMDTYXFKYDNZ-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO O=C(Cc1ccccc1I)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427994874 532438945 /nfs/dbraw/zinc/43/89/45/532438945.db2.gz UNVSVHGCBDZYFJ-GFCCVEGCSA-N 1 2 381.217 2.161 20 0 GEADLO COc1cc(Br)ccc1CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000427963906 532439956 /nfs/dbraw/zinc/43/99/56/532439956.db2.gz ZRHGPEISBDXNNL-UHFFFAOYSA-N 1 2 383.286 2.329 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N2CCn3cc(C)[nH+]c3C2)ccc1Br ZINC000373310212 532442201 /nfs/dbraw/zinc/44/22/01/532442201.db2.gz JYCSKYRRZCCHQE-UHFFFAOYSA-N 1 2 398.282 2.361 20 0 GEADLO O=C(C[NH+]1CCC(Oc2cnccn2)CC1)Nc1ccc(Br)cn1 ZINC000373301967 532442273 /nfs/dbraw/zinc/44/22/73/532442273.db2.gz VNIXIHVBMQPLKF-UHFFFAOYSA-N 1 2 392.257 2.116 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000518554435 532443458 /nfs/dbraw/zinc/44/34/58/532443458.db2.gz DFSHIWDTTFJSOL-CQSZACIVSA-N 1 2 382.346 2.479 20 0 GEADLO CC(=O)Nc1nnc(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)s1 ZINC000518913110 532448863 /nfs/dbraw/zinc/44/88/63/532448863.db2.gz NKXIOJXUSTTWFI-UHFFFAOYSA-N 1 2 398.539 2.280 20 0 GEADLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)N(C)Cc1ccccc1Br)CCO2 ZINC000373407121 532446310 /nfs/dbraw/zinc/44/63/10/532446310.db2.gz YFAJKWJTPIFPMK-KBXCAEBGSA-N 1 2 397.313 2.287 20 0 GEADLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)N(C)Cc1ccccc1Br)CCO2 ZINC000373407121 532446315 /nfs/dbraw/zinc/44/63/15/532446315.db2.gz YFAJKWJTPIFPMK-KBXCAEBGSA-N 1 2 397.313 2.287 20 0 GEADLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000592363703 532452259 /nfs/dbraw/zinc/45/22/59/532452259.db2.gz QMRKAEFDCABQEN-AWEZNQCLSA-N 1 2 378.885 2.306 20 0 GEADLO COC(=O)c1cc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cn1C ZINC000428285708 532449900 /nfs/dbraw/zinc/44/99/00/532449900.db2.gz PIEBVWJYVYAFSD-HNNXBMFYSA-N 1 2 394.269 2.233 20 0 GEADLO COC(=O)c1cc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cn1C ZINC000428285708 532449905 /nfs/dbraw/zinc/44/99/05/532449905.db2.gz PIEBVWJYVYAFSD-HNNXBMFYSA-N 1 2 394.269 2.233 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000295533877 532456888 /nfs/dbraw/zinc/45/68/88/532456888.db2.gz BZVVYDJZPKGECW-UHFFFAOYSA-N 1 2 379.258 2.102 20 0 GEADLO COc1c(Br)cccc1C[NH+]1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000373570511 532457093 /nfs/dbraw/zinc/45/70/93/532457093.db2.gz WUDOTQNNHBBWSB-UHFFFAOYSA-N 1 2 379.258 2.276 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc3c(c(Br)c2)OCO3)C[C@H](C)O1 ZINC000194762238 532456197 /nfs/dbraw/zinc/45/61/97/532456197.db2.gz WAJUYNOXROSEJD-TXEJJXNPSA-N 1 2 399.285 2.359 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc3c(c(Br)c2)OCO3)C[C@H](C)O1 ZINC000194762238 532456199 /nfs/dbraw/zinc/45/61/99/532456199.db2.gz WAJUYNOXROSEJD-TXEJJXNPSA-N 1 2 399.285 2.359 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1n[nH]cc1Br ZINC000519132936 532456560 /nfs/dbraw/zinc/45/65/60/532456560.db2.gz NMPVKHIYFHQONO-UHFFFAOYSA-N 1 2 395.261 2.034 20 0 GEADLO CC[C@H](C(=O)NCc1cn2cc(Br)ccc2[nH+]1)N1CCCC1=O ZINC000467988007 532458964 /nfs/dbraw/zinc/45/89/64/532458964.db2.gz ITJWQUHFIVVEQI-CYBMUJFWSA-N 1 2 379.258 2.114 20 0 GEADLO CCc1n[nH]c(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)c1Br ZINC000468242690 532460429 /nfs/dbraw/zinc/46/04/29/532460429.db2.gz DQZXGFITYWAPII-LBPRGKRZSA-N 1 2 387.322 2.211 20 0 GEADLO CCS(=O)(=O)C1CCN(Cc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000683529242 532460479 /nfs/dbraw/zinc/46/04/79/532460479.db2.gz QRNAUQJTPDXCRF-UHFFFAOYSA-N 1 2 386.315 2.496 20 0 GEADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1nscc1Br ZINC000651087008 532461291 /nfs/dbraw/zinc/46/12/91/532461291.db2.gz PMUSAXLNGXQXIE-UHFFFAOYSA-N 1 2 395.326 2.458 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC000519376696 532461586 /nfs/dbraw/zinc/46/15/86/532461586.db2.gz YTUOZKXSOMWVAW-ZDUSSCGKSA-N 1 2 386.857 2.301 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)s1 ZINC000468428922 532465264 /nfs/dbraw/zinc/46/52/64/532465264.db2.gz SDIXDSAPCSLPTO-UHFFFAOYSA-N 1 2 398.897 2.452 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1c(Cl)cnn1C)c1ccccc1F ZINC000373736202 532467011 /nfs/dbraw/zinc/46/70/11/532467011.db2.gz MRASEIDIGVNHAY-CYBMUJFWSA-N 1 2 383.836 2.014 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2cc3c(c(Br)c2)OCO3)CCO1 ZINC000194920697 532462885 /nfs/dbraw/zinc/46/28/85/532462885.db2.gz FNSFPKLBNOHPLN-UHFFFAOYSA-N 1 2 385.258 2.018 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2cc3c(c(Br)c2)OCO3)CCO1 ZINC000194920697 532462889 /nfs/dbraw/zinc/46/28/89/532462889.db2.gz FNSFPKLBNOHPLN-UHFFFAOYSA-N 1 2 385.258 2.018 20 0 GEADLO O=c1cc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)nc2sccn21 ZINC000428993412 532467884 /nfs/dbraw/zinc/46/78/84/532467884.db2.gz ANTWFBXSTDMEHF-ZDUSSCGKSA-N 1 2 398.257 2.481 20 0 GEADLO CN1CCOC[C@@H]1C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000628453377 532469494 /nfs/dbraw/zinc/46/94/94/532469494.db2.gz YSWZFUYUTUJFQG-JTQLQIEISA-N 1 2 394.107 2.337 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cc(F)cc(Cl)c1)C(C)(C)CO ZINC000295771084 532473705 /nfs/dbraw/zinc/47/37/05/532473705.db2.gz PWVDXASMUWPAJK-CYBMUJFWSA-N 1 2 375.853 2.251 20 0 GEADLO CCOc1cc(C[N@@H+]2CC[C@H](NC(=O)NC)C2)cc(Br)c1OC ZINC000468680643 532470926 /nfs/dbraw/zinc/47/09/26/532470926.db2.gz FBFLFOVNFLIKMV-LBPRGKRZSA-N 1 2 386.290 2.360 20 0 GEADLO CCOc1cc(C[N@H+]2CC[C@H](NC(=O)NC)C2)cc(Br)c1OC ZINC000468680643 532470928 /nfs/dbraw/zinc/47/09/28/532470928.db2.gz FBFLFOVNFLIKMV-LBPRGKRZSA-N 1 2 386.290 2.360 20 0 GEADLO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000373823816 532473567 /nfs/dbraw/zinc/47/35/67/532473567.db2.gz OXJWTOFIWCPQSV-ZIAGYGMSSA-N 1 2 397.299 2.352 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628682642 532472142 /nfs/dbraw/zinc/47/21/42/532472142.db2.gz PJWFTJQOULJMJV-SFHVURJKSA-N 1 2 392.297 2.151 20 0 GEADLO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628919473 532477406 /nfs/dbraw/zinc/47/74/06/532477406.db2.gz UHAPXRZMBNUZPU-RDJZCZTQSA-N 1 2 399.329 2.091 20 0 GEADLO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628919473 532477411 /nfs/dbraw/zinc/47/74/11/532477411.db2.gz UHAPXRZMBNUZPU-RDJZCZTQSA-N 1 2 399.329 2.091 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000519789419 532478350 /nfs/dbraw/zinc/47/83/50/532478350.db2.gz GINUEPFNDJUBBJ-OKILXGFUSA-N 1 2 390.933 2.216 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000519789419 532478353 /nfs/dbraw/zinc/47/83/53/532478353.db2.gz GINUEPFNDJUBBJ-OKILXGFUSA-N 1 2 390.933 2.216 20 0 GEADLO CCC[N@H+](CC(=O)N1CCN(C(C)=O)CC1)Cc1ccccc1Br ZINC000519906057 532483054 /nfs/dbraw/zinc/48/30/54/532483054.db2.gz DZKLOHYGEPLXHP-UHFFFAOYSA-N 1 2 396.329 2.352 20 0 GEADLO CCC[N@@H+](CC(=O)N1CCN(C(C)=O)CC1)Cc1ccccc1Br ZINC000519906057 532483058 /nfs/dbraw/zinc/48/30/58/532483058.db2.gz DZKLOHYGEPLXHP-UHFFFAOYSA-N 1 2 396.329 2.352 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000468990166 532484896 /nfs/dbraw/zinc/48/48/96/532484896.db2.gz PXHSCJVIAHIVRX-ZIAGYGMSSA-N 1 2 385.302 2.396 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000430112755 532488279 /nfs/dbraw/zinc/48/82/79/532488279.db2.gz ZDUZIWSNXPOIRK-QGZVFWFLSA-N 1 2 382.917 2.300 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000430112755 532488286 /nfs/dbraw/zinc/48/82/86/532488286.db2.gz ZDUZIWSNXPOIRK-QGZVFWFLSA-N 1 2 382.917 2.300 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1cccc(Br)c1 ZINC000629438112 532491106 /nfs/dbraw/zinc/49/11/06/532491106.db2.gz CRRBLJVBOWULRF-KRWDZBQOSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1cccc(Br)c1 ZINC000629438112 532491112 /nfs/dbraw/zinc/49/11/12/532491112.db2.gz CRRBLJVBOWULRF-KRWDZBQOSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1cc(Br)co1 ZINC000629433546 532491999 /nfs/dbraw/zinc/49/19/99/532491999.db2.gz PXEGZURWTVOVKB-CQSZACIVSA-N 1 2 380.242 2.068 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1cc(Br)co1 ZINC000629433546 532492000 /nfs/dbraw/zinc/49/20/00/532492000.db2.gz PXEGZURWTVOVKB-CQSZACIVSA-N 1 2 380.242 2.068 20 0 GEADLO O=S(=O)(C1CC[NH+](Cc2ccc(Br)o2)CC1)N1CCCC1 ZINC000282746731 532493443 /nfs/dbraw/zinc/49/34/43/532493443.db2.gz NRFGBEMFMVYEPS-UHFFFAOYSA-N 1 2 377.304 2.432 20 0 GEADLO Cn1cc(C[N@H+](CCN2CCCS2(=O)=O)Cc2ccc(Cl)cc2)cn1 ZINC000430254478 532494673 /nfs/dbraw/zinc/49/46/73/532494673.db2.gz VHXCSPRIHYLLEV-UHFFFAOYSA-N 1 2 382.917 2.111 20 0 GEADLO Cn1cc(C[N@@H+](CCN2CCCS2(=O)=O)Cc2ccc(Cl)cc2)cn1 ZINC000430254478 532494683 /nfs/dbraw/zinc/49/46/83/532494683.db2.gz VHXCSPRIHYLLEV-UHFFFAOYSA-N 1 2 382.917 2.111 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000469192518 532495793 /nfs/dbraw/zinc/49/57/93/532495793.db2.gz XJSVDIYMWDVLTL-CYBMUJFWSA-N 1 2 390.933 2.468 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000469192518 532495799 /nfs/dbraw/zinc/49/57/99/532495799.db2.gz XJSVDIYMWDVLTL-CYBMUJFWSA-N 1 2 390.933 2.468 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000469203435 532495845 /nfs/dbraw/zinc/49/58/45/532495845.db2.gz UDWMDVHLOJBMJB-UONOGXRCSA-N 1 2 385.302 2.396 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684252615 532474148 /nfs/dbraw/zinc/47/41/48/532474148.db2.gz ZZYWPMOBZMHRAN-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO CS(=O)(=O)C[C@@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000429373212 532474342 /nfs/dbraw/zinc/47/43/42/532474342.db2.gz QQMGBOFYGYCUJJ-GFCCVEGCSA-N 1 2 393.336 2.019 20 0 GEADLO CS(=O)(=O)C[C@@H]1CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000429373212 532474348 /nfs/dbraw/zinc/47/43/48/532474348.db2.gz QQMGBOFYGYCUJJ-GFCCVEGCSA-N 1 2 393.336 2.019 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000468821999 532476297 /nfs/dbraw/zinc/47/62/97/532476297.db2.gz FGTBFGBSVQEYBA-UONOGXRCSA-N 1 2 385.302 2.396 20 0 GEADLO Cn1cnc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC000521014650 532503300 /nfs/dbraw/zinc/50/33/00/532503300.db2.gz QWEURXZFGAMMCA-MRXNPFEDSA-N 1 2 382.917 2.407 20 0 GEADLO Cn1cnc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000521014650 532503304 /nfs/dbraw/zinc/50/33/04/532503304.db2.gz QWEURXZFGAMMCA-MRXNPFEDSA-N 1 2 382.917 2.407 20 0 GEADLO CN(C)c1cc(NC(=O)C2(C(=O)NC3CC3)CCC2)[nH+]cc1Br ZINC000521201717 532507916 /nfs/dbraw/zinc/50/79/16/532507916.db2.gz XJMALCBUPYEHFY-UHFFFAOYSA-N 1 2 381.274 2.298 20 0 GEADLO C[C@@]1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCC[NH2+]C1 ZINC000237636433 532509748 /nfs/dbraw/zinc/50/97/48/532509748.db2.gz BCXXLMBPLDGFNL-MRXNPFEDSA-N 1 2 380.495 2.272 20 0 GEADLO CO[C@@](C)(C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC1 ZINC000563940261 532514934 /nfs/dbraw/zinc/51/49/34/532514934.db2.gz IUGGBIFGEQMWDQ-MRXNPFEDSA-N 1 2 384.274 2.434 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000521610913 532516245 /nfs/dbraw/zinc/51/62/45/532516245.db2.gz HKWOJCWYRJRDIX-KBRIMQKVSA-N 1 2 380.330 2.305 20 0 GEADLO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000238050331 532516912 /nfs/dbraw/zinc/51/69/12/532516912.db2.gz HJSIWNRZTBWZRX-DZGCQCFKSA-N 1 2 379.507 2.406 20 0 GEADLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(F)cc1Br ZINC000431589354 532517833 /nfs/dbraw/zinc/51/78/33/532517833.db2.gz XQUNJYIXAZQCDL-UHFFFAOYSA-N 1 2 375.219 2.470 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(C)(C)c1ccccc1Br ZINC000282818750 532498648 /nfs/dbraw/zinc/49/86/48/532498648.db2.gz RNNQSSIEOZSVKN-AWEZNQCLSA-N 1 2 394.269 2.350 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(C)(C)c1ccccc1Br ZINC000282818750 532498653 /nfs/dbraw/zinc/49/86/53/532498653.db2.gz RNNQSSIEOZSVKN-AWEZNQCLSA-N 1 2 394.269 2.350 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000296080094 532499797 /nfs/dbraw/zinc/49/97/97/532499797.db2.gz CKJNTUDIKCEDSN-INIZCTEOSA-N 1 2 375.252 2.443 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000296080094 532499800 /nfs/dbraw/zinc/49/98/00/532499800.db2.gz CKJNTUDIKCEDSN-INIZCTEOSA-N 1 2 375.252 2.443 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000469319454 532500321 /nfs/dbraw/zinc/50/03/21/532500321.db2.gz ZAQUDBFQHRPACQ-QWHCGFSZSA-N 1 2 376.906 2.078 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000469319454 532500329 /nfs/dbraw/zinc/50/03/29/532500329.db2.gz ZAQUDBFQHRPACQ-QWHCGFSZSA-N 1 2 376.906 2.078 20 0 GEADLO O=C(COc1ccc(Br)cc1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374384397 532501263 /nfs/dbraw/zinc/50/12/63/532501263.db2.gz HQPSZNIILRAJDD-MRXNPFEDSA-N 1 2 376.254 2.396 20 0 GEADLO O=C([C@@H]1COc2ccc(Br)cc21)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374383469 532501319 /nfs/dbraw/zinc/50/13/19/532501319.db2.gz FEYODQXIDATLBP-HZPDHXFCSA-N 1 2 388.265 2.493 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000296697612 532535191 /nfs/dbraw/zinc/53/51/91/532535191.db2.gz INBARBXCCYMYDS-GFCCVEGCSA-N 1 2 396.333 2.479 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000470763437 532535475 /nfs/dbraw/zinc/53/54/75/532535475.db2.gz BXBXIGPUTGZRHW-UHFFFAOYSA-N 1 2 398.238 2.000 20 0 GEADLO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000246251857 532535897 /nfs/dbraw/zinc/53/58/97/532535897.db2.gz SRTLKLRITQHBAE-GOEBONIOSA-N 1 2 383.286 2.452 20 0 GEADLO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000246251857 532535900 /nfs/dbraw/zinc/53/59/00/532535900.db2.gz SRTLKLRITQHBAE-GOEBONIOSA-N 1 2 383.286 2.452 20 0 GEADLO Cc1cc(N2CCN3C(=O)NC[C@H]3C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631153815 532545402 /nfs/dbraw/zinc/54/54/02/532545402.db2.gz KDBVPEKGDSYDST-AWEZNQCLSA-N 1 2 388.269 2.428 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000470852624 532537455 /nfs/dbraw/zinc/53/74/55/532537455.db2.gz QMSBVDIOFPIZHZ-UHFFFAOYSA-N 1 2 375.475 2.326 20 0 GEADLO CCn1cccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)c1=O ZINC000432504169 532540044 /nfs/dbraw/zinc/54/00/44/532540044.db2.gz GYEBKAQVLKAMET-AWEZNQCLSA-N 1 2 382.233 2.086 20 0 GEADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)Cc1ccnn1C ZINC000471065303 532540271 /nfs/dbraw/zinc/54/02/71/532540271.db2.gz GWWWCFYQWRBJSN-UHFFFAOYSA-N 1 2 395.301 2.152 20 0 GEADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+](C)Cc1ccnn1C ZINC000471065303 532540277 /nfs/dbraw/zinc/54/02/77/532540277.db2.gz GWWWCFYQWRBJSN-UHFFFAOYSA-N 1 2 395.301 2.152 20 0 GEADLO Cc1nccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1Br ZINC000526097623 532541021 /nfs/dbraw/zinc/54/10/21/532541021.db2.gz FIUDGCGBHMIAEV-UHFFFAOYSA-N 1 2 376.258 2.324 20 0 GEADLO Ic1ccc2c(c1)[C@H]([NH2+]Cc1nnnn1CC1CC1)CC2 ZINC000595033933 532541512 /nfs/dbraw/zinc/54/15/12/532541512.db2.gz SYPLSHRYFIGWDB-CQSZACIVSA-N 1 2 395.248 2.465 20 0 GEADLO Fc1cc2c(cc1Br)[C@H]([NH2+]Cc1cn(C[C@H]3CCOC3)nn1)CO2 ZINC000631128674 532544602 /nfs/dbraw/zinc/54/46/02/532544602.db2.gz OEXJZSKHASFKLY-MEBBXXQBSA-N 1 2 397.248 2.440 20 0 GEADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1nc2ncc(Br)cn2n1 ZINC000522375273 532523641 /nfs/dbraw/zinc/52/36/41/532523641.db2.gz LUZYIZBZHPQUEW-UHFFFAOYSA-N 1 2 398.224 2.003 20 0 GEADLO COc1ccc(Br)c(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000523367883 532525121 /nfs/dbraw/zinc/52/51/21/532525121.db2.gz KORLHFSYVNFFGV-UHFFFAOYSA-N 1 2 395.257 2.189 20 0 GEADLO CCN(CC)c1ccc(CNC(=O)NCc2n[nH]cc2Br)c[nH+]1 ZINC000523387239 532525275 /nfs/dbraw/zinc/52/52/75/532525275.db2.gz RWSKTPYVYPVJGI-UHFFFAOYSA-N 1 2 381.278 2.413 20 0 GEADLO O=C(NCc1cc(F)ccc1Br)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523378246 532525857 /nfs/dbraw/zinc/52/58/57/532525857.db2.gz ATWRIYCYZALEDZ-UHFFFAOYSA-N 1 2 376.189 2.494 20 0 GEADLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@H]21)N(Cc1ccco1)CC(F)(F)F ZINC000246900204 532545295 /nfs/dbraw/zinc/54/52/95/532545295.db2.gz MHXBYWGXVYIDIZ-ZIAGYGMSSA-N 1 2 378.416 2.377 20 0 GEADLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@H]21)N(Cc1ccco1)CC(F)(F)F ZINC000246900204 532545300 /nfs/dbraw/zinc/54/53/00/532545300.db2.gz MHXBYWGXVYIDIZ-ZIAGYGMSSA-N 1 2 378.416 2.377 20 0 GEADLO O=C(COc1ccc(Br)cn1)NCc1[nH+]ccn1CC(F)(F)F ZINC000630917266 532534529 /nfs/dbraw/zinc/53/45/29/532534529.db2.gz RBMWDJPJCPNBRA-UHFFFAOYSA-N 1 2 393.163 2.298 20 0 GEADLO COCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000432997138 532551758 /nfs/dbraw/zinc/55/17/58/532551758.db2.gz VWWIRNXPSVFHOC-LBPRGKRZSA-N 1 2 393.285 2.353 20 0 GEADLO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ncc(Cl)cc2Br)CC(=O)N1C ZINC000527703796 532551874 /nfs/dbraw/zinc/55/18/74/532551874.db2.gz ASKSLNUQCQPLEB-IAQYHMDHSA-N 1 2 398.692 2.293 20 0 GEADLO C[C@@H]([NH2+]CC(=O)Nc1nnc(-c2ccco2)o1)c1ncc(Br)cn1 ZINC000432980846 532551846 /nfs/dbraw/zinc/55/18/46/532551846.db2.gz YMVFQWZWDNLLRI-MRVPVSSYSA-N 1 2 393.201 2.171 20 0 GEADLO O=C(c1ccccc1Cl)N1CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000375352070 532551909 /nfs/dbraw/zinc/55/19/09/532551909.db2.gz GIUQQGUGVBNPML-OAHLLOKOSA-N 1 2 384.929 2.313 20 0 GEADLO O=C(c1ccccc1Cl)N1CCC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000375352070 532551914 /nfs/dbraw/zinc/55/19/14/532551914.db2.gz GIUQQGUGVBNPML-OAHLLOKOSA-N 1 2 384.929 2.313 20 0 GEADLO O=C(c1cccc(Cl)c1)N1CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000375355329 532552011 /nfs/dbraw/zinc/55/20/11/532552011.db2.gz ONKLEAAQZGIDGS-OAHLLOKOSA-N 1 2 384.929 2.313 20 0 GEADLO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000375355329 532552014 /nfs/dbraw/zinc/55/20/14/532552014.db2.gz ONKLEAAQZGIDGS-OAHLLOKOSA-N 1 2 384.929 2.313 20 0 GEADLO COC(=O)CCN1CCC[C@@H]([N@H+](C)Cc2ccccc2Br)C1=O ZINC000595287741 532552510 /nfs/dbraw/zinc/55/25/10/532552510.db2.gz GZUDCWSZCAFQHX-OAHLLOKOSA-N 1 2 383.286 2.435 20 0 GEADLO COC(=O)CCN1CCC[C@@H]([N@@H+](C)Cc2ccccc2Br)C1=O ZINC000595287741 532552518 /nfs/dbraw/zinc/55/25/18/532552518.db2.gz GZUDCWSZCAFQHX-OAHLLOKOSA-N 1 2 383.286 2.435 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O)c1ccc(Br)cc1 ZINC000248631080 532552631 /nfs/dbraw/zinc/55/26/31/532552631.db2.gz WLZHBBZVEKMIMY-YVEFUNNKSA-N 1 2 382.302 2.356 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O)c1ccc(Br)cc1 ZINC000248631080 532552640 /nfs/dbraw/zinc/55/26/40/532552640.db2.gz WLZHBBZVEKMIMY-YVEFUNNKSA-N 1 2 382.302 2.356 20 0 GEADLO C[C@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1ncc(Br)cn1 ZINC000432981518 532552708 /nfs/dbraw/zinc/55/27/08/532552708.db2.gz AEKSTFQSEZDVDP-LBPRGKRZSA-N 1 2 375.270 2.475 20 0 GEADLO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000248626910 532554126 /nfs/dbraw/zinc/55/41/26/532554126.db2.gz OLTJRTYUXNPUQI-QZTJIDSGSA-N 1 2 387.567 2.446 20 0 GEADLO Cc1cccc(S(=O)(=O)CCC[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000248626910 532554133 /nfs/dbraw/zinc/55/41/33/532554133.db2.gz OLTJRTYUXNPUQI-QZTJIDSGSA-N 1 2 387.567 2.446 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000631682647 532555984 /nfs/dbraw/zinc/55/59/84/532555984.db2.gz MKTNWAPLQLBKJW-SUMWQHHRSA-N 1 2 398.575 2.418 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000631682647 532555990 /nfs/dbraw/zinc/55/59/90/532555990.db2.gz MKTNWAPLQLBKJW-SUMWQHHRSA-N 1 2 398.575 2.418 20 0 GEADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000248856273 532556603 /nfs/dbraw/zinc/55/66/03/532556603.db2.gz WBZSQUTVHSZATF-DABQJJPHSA-N 1 2 376.316 2.457 20 0 GEADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000248856273 532556609 /nfs/dbraw/zinc/55/66/09/532556609.db2.gz WBZSQUTVHSZATF-DABQJJPHSA-N 1 2 376.316 2.457 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1ccc(I)cc1)C2 ZINC000375437270 532557129 /nfs/dbraw/zinc/55/71/29/532557129.db2.gz JOBRIWQSVBIABR-CQSZACIVSA-N 1 2 395.244 2.470 20 0 GEADLO CC(C)OC[C@H](CO)[N@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000433183220 532557450 /nfs/dbraw/zinc/55/74/50/532557450.db2.gz QPWVCAJCVFGHIE-NSHDSACASA-N 1 2 395.244 2.384 20 0 GEADLO CC(C)OC[C@H](CO)[N@@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000433183220 532557451 /nfs/dbraw/zinc/55/74/51/532557451.db2.gz QPWVCAJCVFGHIE-NSHDSACASA-N 1 2 395.244 2.384 20 0 GEADLO C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000283832829 532560266 /nfs/dbraw/zinc/56/02/66/532560266.db2.gz GYACOCFGBXENLN-NWDGAFQWSA-N 1 2 388.295 2.008 20 0 GEADLO CCCN(C(C)C)S(=O)(=O)c1ccccc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000565373384 532560513 /nfs/dbraw/zinc/56/05/13/532560513.db2.gz UYAUMBLCMDZPFP-UHFFFAOYSA-N 1 2 386.499 2.020 20 0 GEADLO COc1nccnc1C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000297009817 532560781 /nfs/dbraw/zinc/56/07/81/532560781.db2.gz WOFGCUGEGIWCOA-ZDUSSCGKSA-N 1 2 377.242 2.143 20 0 GEADLO COCc1nc(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cs1 ZINC000565451563 532563795 /nfs/dbraw/zinc/56/37/95/532563795.db2.gz VREKBSNHYHRQOH-UHFFFAOYSA-N 1 2 378.479 2.013 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528408529 532563851 /nfs/dbraw/zinc/56/38/51/532563851.db2.gz QRIQYZLHCVMLPQ-JTQLQIEISA-N 1 2 397.285 2.489 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528408529 532563855 /nfs/dbraw/zinc/56/38/55/532563855.db2.gz QRIQYZLHCVMLPQ-JTQLQIEISA-N 1 2 397.285 2.489 20 0 GEADLO O=S(=O)(Cc1ncsc1Br)N1CCC(n2cc[nH+]c2)CC1 ZINC000631851175 532564117 /nfs/dbraw/zinc/56/41/17/532564117.db2.gz RBQALARKSMFDFN-UHFFFAOYSA-N 1 2 391.316 2.269 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000433356962 532564197 /nfs/dbraw/zinc/56/41/97/532564197.db2.gz VWERERFCYMWTDX-ZDUSSCGKSA-N 1 2 380.432 2.188 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1Cl ZINC000433359807 532564604 /nfs/dbraw/zinc/56/46/04/532564604.db2.gz DKQUWXORWQOIGI-UHFFFAOYSA-N 1 2 390.933 2.388 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1Cl ZINC000433359807 532564607 /nfs/dbraw/zinc/56/46/07/532564607.db2.gz DKQUWXORWQOIGI-UHFFFAOYSA-N 1 2 390.933 2.388 20 0 GEADLO CC[C@H](CSC)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000565472779 532565732 /nfs/dbraw/zinc/56/57/32/532565732.db2.gz IEIZAOGJJOJNFH-BZUAXINKSA-N 1 2 383.945 2.459 20 0 GEADLO CC[C@H](CSC)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000565472779 532565740 /nfs/dbraw/zinc/56/57/40/532565740.db2.gz IEIZAOGJJOJNFH-BZUAXINKSA-N 1 2 383.945 2.459 20 0 GEADLO CC[C@H](CSC)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000565472780 532565913 /nfs/dbraw/zinc/56/59/13/532565913.db2.gz IEIZAOGJJOJNFH-OAGGEKHMSA-N 1 2 383.945 2.459 20 0 GEADLO CC[C@H](CSC)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000565472780 532565918 /nfs/dbraw/zinc/56/59/18/532565918.db2.gz IEIZAOGJJOJNFH-OAGGEKHMSA-N 1 2 383.945 2.459 20 0 GEADLO COc1ccc(S(=O)(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000433368396 532565963 /nfs/dbraw/zinc/56/59/63/532565963.db2.gz XLVZLUVOBYGTEW-BETUJISGSA-N 1 2 376.906 2.078 20 0 GEADLO COc1ccc(S(=O)(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000433368396 532565969 /nfs/dbraw/zinc/56/59/69/532565969.db2.gz XLVZLUVOBYGTEW-BETUJISGSA-N 1 2 376.906 2.078 20 0 GEADLO CO[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1Br ZINC000654738089 532567540 /nfs/dbraw/zinc/56/75/40/532567540.db2.gz MPZMZTZNTAPCRM-XEZPLFJOSA-N 1 2 385.302 2.362 20 0 GEADLO CCN1CCN(C(=O)c2cc(Br)c(C)[nH]c2=O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433477968 532570207 /nfs/dbraw/zinc/57/02/07/532570207.db2.gz PPXPSULLNPSRJU-CYBMUJFWSA-N 1 2 394.273 2.100 20 0 GEADLO CN(C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1)S(C)(=O)=O ZINC000528502587 532569100 /nfs/dbraw/zinc/56/91/00/532569100.db2.gz BXHXJPOIVLMBAM-GFCCVEGCSA-N 1 2 391.896 2.021 20 0 GEADLO CN(C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1)S(C)(=O)=O ZINC000528502587 532569103 /nfs/dbraw/zinc/56/91/03/532569103.db2.gz BXHXJPOIVLMBAM-GFCCVEGCSA-N 1 2 391.896 2.021 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000375287457 532546756 /nfs/dbraw/zinc/54/67/56/532546756.db2.gz HQWUPIWKKWFGII-UHFFFAOYSA-N 1 2 377.794 2.253 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000375287457 532546760 /nfs/dbraw/zinc/54/67/60/532546760.db2.gz HQWUPIWKKWFGII-UHFFFAOYSA-N 1 2 377.794 2.253 20 0 GEADLO Cc1cc(N2CC[C@H](NC(N)=O)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631184103 532547866 /nfs/dbraw/zinc/54/78/66/532547866.db2.gz ILZTWWKILUPKHM-ZDUSSCGKSA-N 1 2 376.258 2.462 20 0 GEADLO C[C@@H](CNC(=O)c1cc(Br)cnc1N(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654057912 532548117 /nfs/dbraw/zinc/54/81/17/532548117.db2.gz RVAWILRNUKKLFB-RWMBFGLXSA-N 1 2 399.333 2.138 20 0 GEADLO C[C@@H](CNC(=O)c1cc(Br)cnc1N(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654057912 532548120 /nfs/dbraw/zinc/54/81/20/532548120.db2.gz RVAWILRNUKKLFB-RWMBFGLXSA-N 1 2 399.333 2.138 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000471311836 532548207 /nfs/dbraw/zinc/54/82/07/532548207.db2.gz MPHOFMCLCSAQNQ-CABCVRRESA-N 1 2 388.555 2.021 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000471311836 532548208 /nfs/dbraw/zinc/54/82/08/532548208.db2.gz MPHOFMCLCSAQNQ-CABCVRRESA-N 1 2 388.555 2.021 20 0 GEADLO COCC1(CNC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC1 ZINC000654106759 532549410 /nfs/dbraw/zinc/54/94/10/532549410.db2.gz QQBMALDBCGEUCR-UHFFFAOYSA-N 1 2 399.289 2.229 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C1(S(=O)(=O)c2ccccc2)CC1)c1cccs1 ZINC000596069747 532585034 /nfs/dbraw/zinc/58/50/34/532585034.db2.gz ODOLYORYTACYAD-HNNXBMFYSA-N 1 2 378.519 2.474 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@H]21 ZINC000284320220 532585667 /nfs/dbraw/zinc/58/56/67/532585667.db2.gz BCQXIDDPJPFSEP-CABCVRRESA-N 1 2 383.279 2.115 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@H]21 ZINC000284320220 532585672 /nfs/dbraw/zinc/58/56/72/532585672.db2.gz BCQXIDDPJPFSEP-CABCVRRESA-N 1 2 383.279 2.115 20 0 GEADLO COCC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000434522258 532595999 /nfs/dbraw/zinc/59/59/99/532595999.db2.gz GJKCQTXPXVHMSA-ZDUSSCGKSA-N 1 2 391.331 2.180 20 0 GEADLO CCOc1cc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc(Br)c1O ZINC000297421035 532588383 /nfs/dbraw/zinc/58/83/83/532588383.db2.gz MJDMODSBAJVLBO-LLVKDONJSA-N 1 2 392.315 2.420 20 0 GEADLO CCOc1cc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc(Br)c1O ZINC000297421035 532588387 /nfs/dbraw/zinc/58/83/87/532588387.db2.gz MJDMODSBAJVLBO-LLVKDONJSA-N 1 2 392.315 2.420 20 0 GEADLO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000566012213 532589246 /nfs/dbraw/zinc/58/92/46/532589246.db2.gz VJIYVLDPXHEXQV-IAQYHMDHSA-N 1 2 382.233 2.197 20 0 GEADLO O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000376011798 532589653 /nfs/dbraw/zinc/58/96/53/532589653.db2.gz BHOZBDXKGCWYLU-GFCCVEGCSA-N 1 2 380.436 2.034 20 0 GEADLO CCN1CCN(C(=O)c2cc(Br)c(=O)[nH]c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000376008384 532590204 /nfs/dbraw/zinc/59/02/04/532590204.db2.gz LBKBQIFSVYPGRE-ZDUSSCGKSA-N 1 2 394.273 2.100 20 0 GEADLO O=C(NCCOC(F)(F)F)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000473487595 532592966 /nfs/dbraw/zinc/59/29/66/532592966.db2.gz HXVHBEOGMNMLSK-UHFFFAOYSA-N 1 2 381.152 2.432 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000375642916 532571444 /nfs/dbraw/zinc/57/14/44/532571444.db2.gz PZYSDMBLLCXWHE-UHFFFAOYSA-N 1 2 379.258 2.363 20 0 GEADLO COc1cc(S(=O)(=O)NCCNc2cccc[nH+]2)ccc1Br ZINC000472341659 532572384 /nfs/dbraw/zinc/57/23/84/532572384.db2.gz POFHBJUYGXZKIF-UHFFFAOYSA-N 1 2 386.271 2.243 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)C(=O)N(C)C ZINC000255377387 532573756 /nfs/dbraw/zinc/57/37/56/532573756.db2.gz QPNOEOWLLQDNEO-DOMZBBRYSA-N 1 2 382.302 2.179 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1)C(=O)N(C)C ZINC000255377387 532573763 /nfs/dbraw/zinc/57/37/63/532573763.db2.gz QPNOEOWLLQDNEO-DOMZBBRYSA-N 1 2 382.302 2.179 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)C(=O)N(C)C ZINC000255377388 532574402 /nfs/dbraw/zinc/57/44/02/532574402.db2.gz QPNOEOWLLQDNEO-WFASDCNBSA-N 1 2 382.302 2.179 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1)C(=O)N(C)C ZINC000255377388 532574407 /nfs/dbraw/zinc/57/44/07/532574407.db2.gz QPNOEOWLLQDNEO-WFASDCNBSA-N 1 2 382.302 2.179 20 0 GEADLO O=C(c1cc(Br)cs1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261654224 532575819 /nfs/dbraw/zinc/57/58/19/532575819.db2.gz MZUCPFGHYQIOPH-UHFFFAOYSA-N 1 2 396.314 2.225 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)C[C@H]1n1cc[nH+]c1 ZINC000632100167 532577270 /nfs/dbraw/zinc/57/72/70/532577270.db2.gz WFGLQKSHIFVXTM-SMDDNHRTSA-N 1 2 378.479 2.470 20 0 GEADLO COc1coc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1=O ZINC000472653045 532579977 /nfs/dbraw/zinc/57/99/77/532579977.db2.gz CVZHLPUADXDJAO-UHFFFAOYSA-N 1 2 380.242 2.128 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)NCc2ccc(Cl)s2)C1 ZINC000375767242 532580677 /nfs/dbraw/zinc/58/06/77/532580677.db2.gz CCBAWCYUALPQQK-CYBMUJFWSA-N 1 2 384.807 2.445 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)NCc2ccc(Cl)s2)C1 ZINC000375767242 532580680 /nfs/dbraw/zinc/58/06/80/532580680.db2.gz CCBAWCYUALPQQK-CYBMUJFWSA-N 1 2 384.807 2.445 20 0 GEADLO O=S(=O)(NCc1[nH]cc[nH+]1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000632143318 532582191 /nfs/dbraw/zinc/58/21/91/532582191.db2.gz SWKSAPWFFXJMBM-CYBMUJFWSA-N 1 2 385.873 2.490 20 0 GEADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCn1cc(Br)cn1)C2 ZINC000376464469 532614544 /nfs/dbraw/zinc/61/45/44/532614544.db2.gz SGSRQHGDWUDSMA-LLVKDONJSA-N 1 2 380.290 2.413 20 0 GEADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCn1cc(Br)cn1)CC2 ZINC000376464469 532614548 /nfs/dbraw/zinc/61/45/48/532614548.db2.gz SGSRQHGDWUDSMA-LLVKDONJSA-N 1 2 380.290 2.413 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263098494 532614897 /nfs/dbraw/zinc/61/48/97/532614897.db2.gz ZDTUJBVIFUYUBN-GFCCVEGCSA-N 1 2 390.228 2.200 20 0 GEADLO O=S1(=O)CC(CCSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)C1 ZINC000566542554 532615250 /nfs/dbraw/zinc/61/52/50/532615250.db2.gz ODQINYAQODCHEK-UHFFFAOYSA-N 1 2 378.454 2.481 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000632501174 532615310 /nfs/dbraw/zinc/61/53/10/532615310.db2.gz JWHYFFMPVWURHH-LSDHHAIUSA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000632500870 532615459 /nfs/dbraw/zinc/61/54/59/532615459.db2.gz FOHGDAREJFZQQJ-LSDHHAIUSA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)c2c(F)cccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000632501267 532616191 /nfs/dbraw/zinc/61/61/91/532616191.db2.gz LPPSIVCVCHIBIL-KBPBESRZSA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632501043 532616315 /nfs/dbraw/zinc/61/63/15/532616315.db2.gz IGIJIFXVXQNVSV-CABCVRRESA-N 1 2 376.881 2.257 20 0 GEADLO COC[C@]1(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CCC[NH2+]1 ZINC000566608748 532619418 /nfs/dbraw/zinc/61/94/18/532619418.db2.gz MILFBGDRYCKIKD-MRXNPFEDSA-N 1 2 381.889 2.171 20 0 GEADLO Clc1ccc(Cn2cc(Cn3cc[nH+]c3CN3CCOCC3)nn2)s1 ZINC000656444875 532619451 /nfs/dbraw/zinc/61/94/51/532619451.db2.gz LNRSGXQBJSTYSF-UHFFFAOYSA-N 1 2 378.889 2.118 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)NCCc1c[nH+]cn1C ZINC000566596047 532619487 /nfs/dbraw/zinc/61/94/87/532619487.db2.gz AFNGYQKZAUNOES-UHFFFAOYSA-N 1 2 376.251 2.151 20 0 GEADLO [NH3+][C@@H](C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)c1cscn1 ZINC000566185735 532598998 /nfs/dbraw/zinc/59/89/98/532598998.db2.gz PSCWFQCCRATUAY-SNVBAGLBSA-N 1 2 380.779 2.405 20 0 GEADLO O[C@]1(Cn2ccnn2)CCC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000284539564 532599254 /nfs/dbraw/zinc/59/92/54/532599254.db2.gz KNNZWHJDQLBWTJ-MRXNPFEDSA-N 1 2 381.267 2.260 20 0 GEADLO O[C@]1(Cn2ccnn2)CCC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000284539564 532599257 /nfs/dbraw/zinc/59/92/57/532599257.db2.gz KNNZWHJDQLBWTJ-MRXNPFEDSA-N 1 2 381.267 2.260 20 0 GEADLO C[C@H]1[NH2+]CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)[C@@H]1C ZINC000262772436 532599685 /nfs/dbraw/zinc/59/96/85/532599685.db2.gz KGCUOPQUAPYRTN-CHWSQXEVSA-N 1 2 379.507 2.371 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CC(C[NH+]2CCOCC2)C1 ZINC000632356397 532605259 /nfs/dbraw/zinc/60/52/59/532605259.db2.gz PMCWCFOAIQXGDN-UHFFFAOYSA-N 1 2 398.834 2.312 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000632384429 532608209 /nfs/dbraw/zinc/60/82/09/532608209.db2.gz FZVOWZOOGGPKLQ-CQSZACIVSA-N 1 2 378.416 2.191 20 0 GEADLO O=S(=O)(C1CCC(C(F)(F)F)CC1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000632386427 532608244 /nfs/dbraw/zinc/60/82/44/532608244.db2.gz ZAVLTIQWLAXRAU-SHARSMKWSA-N 1 2 384.464 2.234 20 0 GEADLO Cn1c(=O)cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)n(C)c1=O ZINC000376349049 532609208 /nfs/dbraw/zinc/60/92/08/532609208.db2.gz FFORQQWKDCXTCZ-LLVKDONJSA-N 1 2 384.299 2.245 20 0 GEADLO Cn1c(=O)cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)s2)n(C)c1=O ZINC000376349049 532609215 /nfs/dbraw/zinc/60/92/15/532609215.db2.gz FFORQQWKDCXTCZ-LLVKDONJSA-N 1 2 384.299 2.245 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000435603247 532621956 /nfs/dbraw/zinc/62/19/56/532621956.db2.gz ZOFOSIBOIOYDER-GOEBONIOSA-N 1 2 393.336 2.491 20 0 GEADLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1c(F)cccc1OC(F)(F)F)CC2 ZINC000376363044 532610258 /nfs/dbraw/zinc/61/02/58/532610258.db2.gz GDSQEMVWEOOHNM-UHFFFAOYSA-N 1 2 379.335 2.434 20 0 GEADLO COCC[N@H+](C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C[C@H](O)C(F)(F)F ZINC000656267077 532611042 /nfs/dbraw/zinc/61/10/42/532611042.db2.gz QDZCQACBXWEKBN-WFASDCNBSA-N 1 2 383.432 2.065 20 0 GEADLO COCC[N@@H+](C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C[C@H](O)C(F)(F)F ZINC000656267077 532611047 /nfs/dbraw/zinc/61/10/47/532611047.db2.gz QDZCQACBXWEKBN-WFASDCNBSA-N 1 2 383.432 2.065 20 0 GEADLO C[C@]1(CO)C[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@@]1(C)CO ZINC000529667993 532611460 /nfs/dbraw/zinc/61/14/60/532611460.db2.gz CRQZEFMYYFERHC-CALCHBBNSA-N 1 2 385.295 2.387 20 0 GEADLO C[C@]1(CO)C[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C[C@@]1(C)CO ZINC000529667993 532611462 /nfs/dbraw/zinc/61/14/62/532611462.db2.gz CRQZEFMYYFERHC-CALCHBBNSA-N 1 2 385.295 2.387 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)Cc1cccc(Br)c1)C2 ZINC000376386571 532612513 /nfs/dbraw/zinc/61/25/13/532612513.db2.gz SJJAZSIAZYPUJR-CQSZACIVSA-N 1 2 384.299 2.388 20 0 GEADLO COC(=O)c1oc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1C ZINC000597117857 532612488 /nfs/dbraw/zinc/61/24/88/532612488.db2.gz SGYNEQJRNTVITK-ZDUSSCGKSA-N 1 2 381.226 2.453 20 0 GEADLO CCn1ncnc1CNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000474647776 532623065 /nfs/dbraw/zinc/62/30/65/532623065.db2.gz DKGYRURRURERNV-UHFFFAOYSA-N 1 2 392.261 2.016 20 0 GEADLO Cc1cnc([C@@H]2CCC[N@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)C2)s1 ZINC000376669607 532624425 /nfs/dbraw/zinc/62/44/25/532624425.db2.gz CQMOUGXDPDOEFH-CQSZACIVSA-N 1 2 388.555 2.387 20 0 GEADLO Cc1cnc([C@@H]2CCC[N@@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)C2)s1 ZINC000376669607 532624428 /nfs/dbraw/zinc/62/44/28/532624428.db2.gz CQMOUGXDPDOEFH-CQSZACIVSA-N 1 2 388.555 2.387 20 0 GEADLO CS[C@H](C)CNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284829266 532624963 /nfs/dbraw/zinc/62/49/63/532624963.db2.gz WOUCTVZRMHMTJV-RISCZKNCSA-N 1 2 380.901 2.147 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000474700346 532625827 /nfs/dbraw/zinc/62/58/27/532625827.db2.gz CQJXVTXQIDVJAN-UHFFFAOYSA-N 1 2 384.929 2.437 20 0 GEADLO O=C(Nc1nc2c(s1)CSCC2)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000376735739 532627241 /nfs/dbraw/zinc/62/72/41/532627241.db2.gz QHTKXGVLNISOGR-SNVBAGLBSA-N 1 2 377.495 2.000 20 0 GEADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000284872483 532628058 /nfs/dbraw/zinc/62/80/58/532628058.db2.gz SPQLDNQJLPHIGX-XHDPSFHLSA-N 1 2 389.283 2.051 20 0 GEADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000284872483 532628063 /nfs/dbraw/zinc/62/80/63/532628063.db2.gz SPQLDNQJLPHIGX-XHDPSFHLSA-N 1 2 389.283 2.051 20 0 GEADLO Cc1cccn2cc(CC(=O)Nc3cc(Br)c(=O)n(C)c3)[nH+]c12 ZINC000530802858 532630248 /nfs/dbraw/zinc/63/02/48/532630248.db2.gz YLNQZAKKIYCKIL-UHFFFAOYSA-N 1 2 375.226 2.285 20 0 GEADLO O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1)N1CCCC1 ZINC000298159093 532630749 /nfs/dbraw/zinc/63/07/49/532630749.db2.gz NUFPDSXETIRNFS-UHFFFAOYSA-N 1 2 376.810 2.498 20 0 GEADLO C[C@H]([C@H](C)N1C(=O)N[C@H](c2ccccc2Br)C1=O)[NH+]1CCOCC1 ZINC000656802501 532633325 /nfs/dbraw/zinc/63/33/25/532633325.db2.gz DETFTOSCEUPABR-TYNCELHUSA-N 1 2 396.285 2.151 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000284988093 532636878 /nfs/dbraw/zinc/63/68/78/532636878.db2.gz BLPBWEWVILFHJP-LBPRGKRZSA-N 1 2 385.277 2.457 20 0 GEADLO CS[C@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000284991232 532637001 /nfs/dbraw/zinc/63/70/01/532637001.db2.gz LNFOJLONBFTBBD-CABCVRRESA-N 1 2 381.567 2.013 20 0 GEADLO CS[C@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000284991232 532637009 /nfs/dbraw/zinc/63/70/09/532637009.db2.gz LNFOJLONBFTBBD-CABCVRRESA-N 1 2 381.567 2.013 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@H](O)CC3)[nH+]c12 ZINC000298261626 532638340 /nfs/dbraw/zinc/63/83/40/532638340.db2.gz LMPDOLTZUBEMNA-AWEZNQCLSA-N 1 2 381.274 2.462 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)Cc1cc(F)ccc1Cl)[NH+]1CCN(C)CC1 ZINC000656918113 532646428 /nfs/dbraw/zinc/64/64/28/532646428.db2.gz MOSHUVLSYDQSJJ-KRWDZBQOSA-N 1 2 391.940 2.171 20 0 GEADLO COC(=O)C(C)(C)CC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000285028580 532640073 /nfs/dbraw/zinc/64/00/73/532640073.db2.gz HOBJGWABJYREIA-GFCCVEGCSA-N 1 2 375.238 2.294 20 0 GEADLO C[C@H]([NH2+]Cc1n[nH]cc1Br)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000531968796 532641611 /nfs/dbraw/zinc/64/16/11/532641611.db2.gz IMMHYEKGKQABRI-JTQLQIEISA-N 1 2 387.303 2.273 20 0 GEADLO COc1ccc(CCC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cc1Br ZINC000263817344 532641653 /nfs/dbraw/zinc/64/16/53/532641653.db2.gz YRNRXRDFVJYXOQ-CQSZACIVSA-N 1 2 398.345 2.142 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)COc1cccc(I)c1)CC2 ZINC000377097922 532642326 /nfs/dbraw/zinc/64/23/26/532642326.db2.gz PBAVWVJBBRHJBN-UHFFFAOYSA-N 1 2 397.216 2.217 20 0 GEADLO COc1cc(S(=O)(=O)NCC(C)(C)n2cc[nH+]c2)ccc1Br ZINC000632728939 532642420 /nfs/dbraw/zinc/64/24/20/532642420.db2.gz FGRWSEBOQCEYRW-UHFFFAOYSA-N 1 2 388.287 2.368 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000285217901 532659844 /nfs/dbraw/zinc/65/98/44/532659844.db2.gz FAWDXJKLQFEEQS-TZMCWYRMSA-N 1 2 376.881 2.104 20 0 GEADLO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ncc(I)s2)CN1 ZINC000377551723 532660110 /nfs/dbraw/zinc/66/01/10/532660110.db2.gz ZWCGVWUNJRSRKS-ZJUUUORDSA-N 1 2 391.278 2.238 20 0 GEADLO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(I)s2)CN1 ZINC000377551723 532660113 /nfs/dbraw/zinc/66/01/13/532660113.db2.gz ZWCGVWUNJRSRKS-ZJUUUORDSA-N 1 2 391.278 2.238 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)NCCCSc2ccccc2)C1 ZINC000298572548 532660414 /nfs/dbraw/zinc/66/04/14/532660414.db2.gz QEOLKQAAIQRVKM-INIZCTEOSA-N 1 2 384.567 2.042 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)NCCCSc2ccccc2)C1 ZINC000298572548 532660418 /nfs/dbraw/zinc/66/04/18/532660418.db2.gz QEOLKQAAIQRVKM-INIZCTEOSA-N 1 2 384.567 2.042 20 0 GEADLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000285231042 532660920 /nfs/dbraw/zinc/66/09/20/532660920.db2.gz CMSYWUYAUDPBOP-DCAQKATOSA-N 1 2 378.420 2.337 20 0 GEADLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000285231042 532660927 /nfs/dbraw/zinc/66/09/27/532660927.db2.gz CMSYWUYAUDPBOP-DCAQKATOSA-N 1 2 378.420 2.337 20 0 GEADLO C[C@@H](O)CNc1cc(N(C)C[C@H](O)c2cccc(Br)c2)nc[nH+]1 ZINC000298565148 532661529 /nfs/dbraw/zinc/66/15/29/532661529.db2.gz JWVUMPUURZKOQO-RISCZKNCSA-N 1 2 381.274 2.202 20 0 GEADLO C[C@@H](O)CNc1cc(N(C)C[C@H](O)c2cccc(Br)c2)[nH+]cn1 ZINC000298565148 532661532 /nfs/dbraw/zinc/66/15/32/532661532.db2.gz JWVUMPUURZKOQO-RISCZKNCSA-N 1 2 381.274 2.202 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)NCCCSc2ccccc2)C1 ZINC000298572549 532661580 /nfs/dbraw/zinc/66/15/80/532661580.db2.gz QEOLKQAAIQRVKM-MRXNPFEDSA-N 1 2 384.567 2.042 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)NCCCSc2ccccc2)C1 ZINC000298572549 532661584 /nfs/dbraw/zinc/66/15/84/532661584.db2.gz QEOLKQAAIQRVKM-MRXNPFEDSA-N 1 2 384.567 2.042 20 0 GEADLO CC(C)NS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Br)cc1 ZINC000660013516 532669306 /nfs/dbraw/zinc/66/93/06/532669306.db2.gz KPLVEPAJORBQOP-CYBMUJFWSA-N 1 2 387.303 2.104 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)n1 ZINC000599515860 532665148 /nfs/dbraw/zinc/66/51/48/532665148.db2.gz WLCCABAHHVDKIM-GHMZBOCLSA-N 1 2 375.441 2.410 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000599567302 532666666 /nfs/dbraw/zinc/66/66/66/532666666.db2.gz WOYMASOBYYGARR-PBHICJAKSA-N 1 2 387.263 2.363 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000599567302 532666670 /nfs/dbraw/zinc/66/66/70/532666670.db2.gz WOYMASOBYYGARR-PBHICJAKSA-N 1 2 387.263 2.363 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCCCNC(=O)OC(C)(C)C ZINC000264210885 532666881 /nfs/dbraw/zinc/66/68/81/532666881.db2.gz MIYDEROTVMRYOV-UHFFFAOYSA-N 1 2 385.266 2.453 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000599565402 532666918 /nfs/dbraw/zinc/66/69/18/532666918.db2.gz RSLXDAYOEKOOMO-INIZCTEOSA-N 1 2 385.251 2.338 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000599565402 532666920 /nfs/dbraw/zinc/66/69/20/532666920.db2.gz RSLXDAYOEKOOMO-INIZCTEOSA-N 1 2 385.251 2.338 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)NCC3([S@@](C)=O)CCC3)CC2)s1 ZINC000438160965 532667416 /nfs/dbraw/zinc/66/74/16/532667416.db2.gz PLMZVKBPPHPVHG-RUZDIDTESA-N 1 2 383.583 2.439 20 0 GEADLO CCN(C)C(=O)CC[NH2+][C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000599593524 532667995 /nfs/dbraw/zinc/66/79/95/532667995.db2.gz FHUSHXORSWTMEZ-GOSISDBHSA-N 1 2 397.313 2.308 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)C(=O)NCc1sccc1Br ZINC000285089116 532647113 /nfs/dbraw/zinc/64/71/13/532647113.db2.gz JWWBRIHAIRDJAG-UHFFFAOYSA-N 1 2 397.298 2.140 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000632870877 532647813 /nfs/dbraw/zinc/64/78/13/532647813.db2.gz MBPPZVGGBQTRFG-QQDQCYIDSA-N 1 2 394.313 2.107 20 0 GEADLO O=C(NCCc1ccc(I)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000598394654 532647901 /nfs/dbraw/zinc/64/79/01/532647901.db2.gz YVGZSRILZOGVCR-CYBMUJFWSA-N 1 2 395.244 2.409 20 0 GEADLO CCN1CCN(C(=O)c2cc(Br)ccc2O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000436994834 532648429 /nfs/dbraw/zinc/64/84/29/532648429.db2.gz AXUMKJUFJIOQAL-CYBMUJFWSA-N 1 2 379.258 2.397 20 0 GEADLO O=C(Cc1ccc(Br)cc1O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000477368028 532650274 /nfs/dbraw/zinc/65/02/74/532650274.db2.gz VKSLKZMRYXEHQD-MRXNPFEDSA-N 1 2 397.313 2.411 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2)C1 ZINC000298458073 532651381 /nfs/dbraw/zinc/65/13/81/532651381.db2.gz SZAWBFBUHSZGKZ-JSGCOSHPSA-N 1 2 386.543 2.026 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2)C1 ZINC000298458073 532651384 /nfs/dbraw/zinc/65/13/84/532651384.db2.gz SZAWBFBUHSZGKZ-JSGCOSHPSA-N 1 2 386.543 2.026 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCc1nnc2n1CCCCC2 ZINC000263951455 532652697 /nfs/dbraw/zinc/65/26/97/532652697.db2.gz JKVDETFTJYKXEN-UHFFFAOYSA-N 1 2 377.250 2.056 20 0 GEADLO O=C(CCn1cc[nH+]c1)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F ZINC000477447261 532652783 /nfs/dbraw/zinc/65/27/83/532652783.db2.gz BCXOSEZUKWMMKA-UHFFFAOYSA-N 1 2 386.836 2.145 20 0 GEADLO CC(C)C(=O)N1CCC(Nc2[nH+]cnc3c2c(Br)nn3C)CC1 ZINC000263967705 532653231 /nfs/dbraw/zinc/65/32/31/532653231.db2.gz SVAYOZIZCRCMHC-UHFFFAOYSA-N 1 2 381.278 2.185 20 0 GEADLO CCOC(=O)N1CCC(Nc2[nH+]cnc3c2c(Br)nn3C)CC1 ZINC000263970092 532653527 /nfs/dbraw/zinc/65/35/27/532653527.db2.gz UNOKOIOVCDUSJU-UHFFFAOYSA-N 1 2 383.250 2.159 20 0 GEADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)CCn1cc(Br)cn1)CCC2 ZINC000377377676 532654926 /nfs/dbraw/zinc/65/49/26/532654926.db2.gz HZSAXZYHXQABBA-ZDUSSCGKSA-N 1 2 395.305 2.370 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@@H]1CCCC[C@@H]1CO ZINC000477953023 532655648 /nfs/dbraw/zinc/65/56/48/532655648.db2.gz AADNLPGDNUIFAE-BXUZGUMPSA-N 1 2 381.274 2.447 20 0 GEADLO Cc1cc(SCC(=O)NC[C@H]2C[NH+]3CCN2CC3)c(C)cc1Br ZINC000437325660 532655906 /nfs/dbraw/zinc/65/59/06/532655906.db2.gz RPZXTZSQCGEPCD-AWEZNQCLSA-N 1 2 398.370 2.274 20 0 GEADLO Cn1cnc(CCNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)n1 ZINC000532790786 532656333 /nfs/dbraw/zinc/65/63/33/532656333.db2.gz ZBULPMJBNKWXSR-MRXNPFEDSA-N 1 2 392.301 2.073 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@H](O)[C@@H]3C)[nH+]c12 ZINC000298525004 532656996 /nfs/dbraw/zinc/65/69/96/532656996.db2.gz XGICBPZCVZXZHH-FZMZJTMJSA-N 1 2 381.274 2.460 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000298545034 532657812 /nfs/dbraw/zinc/65/78/12/532657812.db2.gz CFZBOOLNNJBNHC-DOMZBBRYSA-N 1 2 376.316 2.239 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000298545034 532657816 /nfs/dbraw/zinc/65/78/16/532657816.db2.gz CFZBOOLNNJBNHC-DOMZBBRYSA-N 1 2 376.316 2.239 20 0 GEADLO C[N@H+](CC(=O)Nc1nc(-c2cccs2)cs1)[C@H]1CCN2CCO[C@H]1C2 ZINC000298544515 532657918 /nfs/dbraw/zinc/65/79/18/532657918.db2.gz XWRYCDGTPFZFAL-KBPBESRZSA-N 1 2 378.523 2.215 20 0 GEADLO C[N@@H+](CC(=O)Nc1nc(-c2cccs2)cs1)[C@H]1CCN2CCO[C@H]1C2 ZINC000298544515 532657922 /nfs/dbraw/zinc/65/79/22/532657922.db2.gz XWRYCDGTPFZFAL-KBPBESRZSA-N 1 2 378.523 2.215 20 0 GEADLO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000638174810 532684485 /nfs/dbraw/zinc/68/44/85/532684485.db2.gz ROKCBKBNROSLQR-CYBMUJFWSA-N 1 2 391.331 2.343 20 0 GEADLO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000638174810 532684491 /nfs/dbraw/zinc/68/44/91/532684491.db2.gz ROKCBKBNROSLQR-CYBMUJFWSA-N 1 2 391.331 2.343 20 0 GEADLO CN(C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1)S(C)(=O)=O ZINC000285480121 532685015 /nfs/dbraw/zinc/68/50/15/532685015.db2.gz CRRJTTHDSPBDKT-LBPRGKRZSA-N 1 2 391.896 2.021 20 0 GEADLO CN(C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1)S(C)(=O)=O ZINC000285480121 532685019 /nfs/dbraw/zinc/68/50/19/532685019.db2.gz CRRJTTHDSPBDKT-LBPRGKRZSA-N 1 2 391.896 2.021 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000568788707 532686197 /nfs/dbraw/zinc/68/61/97/532686197.db2.gz NKCOYBFPICBUCZ-SKDZVZGDSA-N 1 2 384.929 2.416 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000568788707 532686200 /nfs/dbraw/zinc/68/62/00/532686200.db2.gz NKCOYBFPICBUCZ-SKDZVZGDSA-N 1 2 384.929 2.416 20 0 GEADLO CN(C1CC1)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Br)cc1 ZINC000660014681 532669799 /nfs/dbraw/zinc/66/97/99/532669799.db2.gz PYNNLSJSZQMFGA-CQSZACIVSA-N 1 2 399.314 2.201 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000535712792 532686561 /nfs/dbraw/zinc/68/65/61/532686561.db2.gz QDTASMSJUPAXFQ-AWEZNQCLSA-N 1 2 391.225 2.168 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000535712792 532686566 /nfs/dbraw/zinc/68/65/66/532686566.db2.gz QDTASMSJUPAXFQ-AWEZNQCLSA-N 1 2 391.225 2.168 20 0 GEADLO CSc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000264296435 532670961 /nfs/dbraw/zinc/67/09/61/532670961.db2.gz CICDWPWBTSUGII-RYUDHWBXSA-N 1 2 385.917 2.226 20 0 GEADLO O=S(=O)(NCC(F)(F)F)N1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC000438466861 532672124 /nfs/dbraw/zinc/67/21/24/532672124.db2.gz RBZOKWOBTKHFML-DAXSKMNVSA-N 1 2 377.432 2.151 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000264422807 532673746 /nfs/dbraw/zinc/67/37/46/532673746.db2.gz KLUIPLPKICJXGH-CQSZACIVSA-N 1 2 380.330 2.233 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1)Nc1cccc(Cl)c1 ZINC000568283869 532674537 /nfs/dbraw/zinc/67/45/37/532674537.db2.gz CLDRTYQKCOENMX-CYBMUJFWSA-N 1 2 385.917 2.072 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1)Nc1cccc(Cl)c1 ZINC000568283869 532674544 /nfs/dbraw/zinc/67/45/44/532674544.db2.gz CLDRTYQKCOENMX-CYBMUJFWSA-N 1 2 385.917 2.072 20 0 GEADLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@]2(CCOC2)O1 ZINC000483176298 532674777 /nfs/dbraw/zinc/67/47/77/532674777.db2.gz XCRPFPYBCIYUNA-RPVQJOFSSA-N 1 2 395.297 2.434 20 0 GEADLO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@]2(CCOC2)O1 ZINC000483176298 532674783 /nfs/dbraw/zinc/67/47/83/532674783.db2.gz XCRPFPYBCIYUNA-RPVQJOFSSA-N 1 2 395.297 2.434 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)c(I)c1 ZINC000600420148 532675352 /nfs/dbraw/zinc/67/53/52/532675352.db2.gz JNRLPNYWGOFWHY-JTQLQIEISA-N 1 2 394.640 2.005 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)c(I)c1 ZINC000600420148 532675359 /nfs/dbraw/zinc/67/53/59/532675359.db2.gz JNRLPNYWGOFWHY-JTQLQIEISA-N 1 2 394.640 2.005 20 0 GEADLO Cc1nnc([C@H]2CC[N@H+](CC(=O)c3c[nH]c4ncc(Br)cc34)C2)[nH]1 ZINC000660807557 532676030 /nfs/dbraw/zinc/67/60/30/532676030.db2.gz JUUHCVLLLJLYDU-JTQLQIEISA-N 1 2 389.257 2.424 20 0 GEADLO Cc1nnc([C@H]2CC[N@@H+](CC(=O)c3c[nH]c4ncc(Br)cc34)C2)[nH]1 ZINC000660807557 532676033 /nfs/dbraw/zinc/67/60/33/532676033.db2.gz JUUHCVLLLJLYDU-JTQLQIEISA-N 1 2 389.257 2.424 20 0 GEADLO Cc1n[nH]c([C@H]2CC[N@H+](CC(=O)c3c[nH]c4ncc(Br)cc34)C2)n1 ZINC000660807557 532676038 /nfs/dbraw/zinc/67/60/38/532676038.db2.gz JUUHCVLLLJLYDU-JTQLQIEISA-N 1 2 389.257 2.424 20 0 GEADLO Cc1n[nH]c([C@H]2CC[N@@H+](CC(=O)c3c[nH]c4ncc(Br)cc34)C2)n1 ZINC000660807557 532676043 /nfs/dbraw/zinc/67/60/43/532676043.db2.gz JUUHCVLLLJLYDU-JTQLQIEISA-N 1 2 389.257 2.424 20 0 GEADLO Cc1nc([C@H]2CC[N@H+](CC(=O)c3c[nH]c4ncc(Br)cc34)C2)n[nH]1 ZINC000660807557 532676046 /nfs/dbraw/zinc/67/60/46/532676046.db2.gz JUUHCVLLLJLYDU-JTQLQIEISA-N 1 2 389.257 2.424 20 0 GEADLO Cc1nc([C@H]2CC[N@@H+](CC(=O)c3c[nH]c4ncc(Br)cc34)C2)n[nH]1 ZINC000660807557 532676048 /nfs/dbraw/zinc/67/60/48/532676048.db2.gz JUUHCVLLLJLYDU-JTQLQIEISA-N 1 2 389.257 2.424 20 0 GEADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)Nc1scnc1C1CC1 ZINC000534994436 532676159 /nfs/dbraw/zinc/67/61/59/532676159.db2.gz CFMQQMABWMVDRS-UHFFFAOYSA-N 1 2 376.507 2.195 20 0 GEADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)Nc1scnc1C1CC1 ZINC000534994436 532676162 /nfs/dbraw/zinc/67/61/62/532676162.db2.gz CFMQQMABWMVDRS-UHFFFAOYSA-N 1 2 376.507 2.195 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000298827099 532676619 /nfs/dbraw/zinc/67/66/19/532676619.db2.gz SWGGQBCHZNSJKF-LBPRGKRZSA-N 1 2 380.341 2.155 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000660854829 532676637 /nfs/dbraw/zinc/67/66/37/532676637.db2.gz FBRHXFYTBINUBX-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000660854829 532676646 /nfs/dbraw/zinc/67/66/46/532676646.db2.gz FBRHXFYTBINUBX-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000264472104 532676719 /nfs/dbraw/zinc/67/67/19/532676719.db2.gz UPXCQBUOLASDMV-CABCVRRESA-N 1 2 398.345 2.277 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000660854691 532677705 /nfs/dbraw/zinc/67/77/05/532677705.db2.gz BCWVIMMDMMDKSU-RISCZKNCSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000660854691 532677715 /nfs/dbraw/zinc/67/77/15/532677715.db2.gz BCWVIMMDMMDKSU-RISCZKNCSA-N 1 2 376.284 2.047 20 0 GEADLO O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378065674 532678864 /nfs/dbraw/zinc/67/88/64/532678864.db2.gz BMMLEDHSCRGKMI-DOMZBBRYSA-N 1 2 379.258 2.062 20 0 GEADLO O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378065674 532678872 /nfs/dbraw/zinc/67/88/72/532678872.db2.gz BMMLEDHSCRGKMI-DOMZBBRYSA-N 1 2 379.258 2.062 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1Cl ZINC000378071917 532678908 /nfs/dbraw/zinc/67/89/08/532678908.db2.gz GCGKJZGCNNPWBW-UHFFFAOYSA-N 1 2 382.873 2.454 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1Cl ZINC000378071917 532678916 /nfs/dbraw/zinc/67/89/16/532678916.db2.gz GCGKJZGCNNPWBW-UHFFFAOYSA-N 1 2 382.873 2.454 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(Br)cc2cccnc21 ZINC000535345360 532679830 /nfs/dbraw/zinc/67/98/30/532679830.db2.gz MVSJDOZGZPRSHV-GFCCVEGCSA-N 1 2 378.270 2.448 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(Br)cc2cccnc21 ZINC000535345360 532679834 /nfs/dbraw/zinc/67/98/34/532679834.db2.gz MVSJDOZGZPRSHV-GFCCVEGCSA-N 1 2 378.270 2.448 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000378124573 532680206 /nfs/dbraw/zinc/68/02/06/532680206.db2.gz ZJKDEDMBZXNYON-UHFFFAOYSA-N 1 2 392.257 2.118 20 0 GEADLO COc1nsc(C[NH+]2CCC(N3CCCNC3=O)CC2)c1Br ZINC000638122404 532682577 /nfs/dbraw/zinc/68/25/77/532682577.db2.gz PFMZBLKDPDZOEQ-UHFFFAOYSA-N 1 2 389.319 2.294 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285564977 532692004 /nfs/dbraw/zinc/69/20/04/532692004.db2.gz VTWSURFHCSGIGW-HOCLYGCPSA-N 1 2 398.301 2.072 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285564977 532692005 /nfs/dbraw/zinc/69/20/05/532692005.db2.gz VTWSURFHCSGIGW-HOCLYGCPSA-N 1 2 398.301 2.072 20 0 GEADLO C[N@@H+]1CCc2ncnc(N(CCO)Cc3cccc(Br)c3)c2C1 ZINC000487056602 532692162 /nfs/dbraw/zinc/69/21/62/532692162.db2.gz DAKCFYCCWBRSRK-UHFFFAOYSA-N 1 2 377.286 2.226 20 0 GEADLO C[N@H+]1CCc2ncnc(N(CCO)Cc3cccc(Br)c3)c2C1 ZINC000487056602 532692171 /nfs/dbraw/zinc/69/21/71/532692171.db2.gz DAKCFYCCWBRSRK-UHFFFAOYSA-N 1 2 377.286 2.226 20 0 GEADLO CSCCC[N@H+](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000439467133 532693948 /nfs/dbraw/zinc/69/39/48/532693948.db2.gz IBHIJZJVJVZXLV-INIZCTEOSA-N 1 2 376.588 2.020 20 0 GEADLO CSCCC[N@@H+](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000439467133 532693957 /nfs/dbraw/zinc/69/39/57/532693957.db2.gz IBHIJZJVJVZXLV-INIZCTEOSA-N 1 2 376.588 2.020 20 0 GEADLO CCOc1ccc(Br)cc1S(=O)(=O)N(C)Cc1c[nH+]cn1C ZINC000439558462 532695844 /nfs/dbraw/zinc/69/58/44/532695844.db2.gz TXGCRKUBRKUIBC-UHFFFAOYSA-N 1 2 388.287 2.402 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000603557243 532696147 /nfs/dbraw/zinc/69/61/47/532696147.db2.gz KYBGEZVCVYJQHP-RYUDHWBXSA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000603557243 532696152 /nfs/dbraw/zinc/69/61/52/532696152.db2.gz KYBGEZVCVYJQHP-RYUDHWBXSA-N 1 2 384.325 2.488 20 0 GEADLO C[C@@H](CS(C)(=O)=O)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000603586813 532697002 /nfs/dbraw/zinc/69/70/02/532697002.db2.gz PTDYEBPSVMFJNR-BBRMVZONSA-N 1 2 387.933 2.209 20 0 GEADLO O=C(NCc1csc(Br)c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603589694 532697012 /nfs/dbraw/zinc/69/70/12/532697012.db2.gz KPLYXBNSTVHZAX-UHFFFAOYSA-N 1 2 384.303 2.261 20 0 GEADLO O=C(Cn1cc(CC[NH+]2CCOCC2)nn1)Nc1cc(Cl)ccc1Cl ZINC000640759333 532697333 /nfs/dbraw/zinc/69/73/33/532697333.db2.gz QBFXOBHXSHLRCO-UHFFFAOYSA-N 1 2 384.267 2.098 20 0 GEADLO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000569537667 532697587 /nfs/dbraw/zinc/69/75/87/532697587.db2.gz RTNCTYKUASNVJS-MRXNPFEDSA-N 1 2 397.273 2.088 20 0 GEADLO COC(=O)C[N@H+](CCN1CCOCC1)C[C@H](C)c1cccc(Br)c1 ZINC000536674346 532698039 /nfs/dbraw/zinc/69/80/39/532698039.db2.gz NRMNJNOCVKVTEN-HNNXBMFYSA-N 1 2 399.329 2.360 20 0 GEADLO COC(=O)C[N@@H+](CCN1CCOCC1)C[C@H](C)c1cccc(Br)c1 ZINC000536674346 532698042 /nfs/dbraw/zinc/69/80/42/532698042.db2.gz NRMNJNOCVKVTEN-HNNXBMFYSA-N 1 2 399.329 2.360 20 0 GEADLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@H](C)c1cccc(Br)c1 ZINC000536674346 532698047 /nfs/dbraw/zinc/69/80/47/532698047.db2.gz NRMNJNOCVKVTEN-HNNXBMFYSA-N 1 2 399.329 2.360 20 0 GEADLO CCOC(=O)c1cnc(N2CC[NH+](Cc3cnc(N(C)C)s3)CC2)s1 ZINC000536665998 532698539 /nfs/dbraw/zinc/69/85/39/532698539.db2.gz FSBCVSTVZMWWFQ-UHFFFAOYSA-N 1 2 381.527 2.165 20 0 GEADLO CCn1cc[nH+]c1CN1CCCN(Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000666307758 532699213 /nfs/dbraw/zinc/69/92/13/532699213.db2.gz RTRIWXYCYOHEHM-UHFFFAOYSA-N 1 2 382.555 2.076 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000265919560 532699426 /nfs/dbraw/zinc/69/94/26/532699426.db2.gz CWOMCPYBHMGROC-AWEZNQCLSA-N 1 2 395.345 2.026 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000265919560 532699431 /nfs/dbraw/zinc/69/94/31/532699431.db2.gz CWOMCPYBHMGROC-AWEZNQCLSA-N 1 2 395.345 2.026 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)COc1ccc(Br)cc1 ZINC000285694624 532699946 /nfs/dbraw/zinc/69/99/46/532699946.db2.gz HETQCKVLHSDINH-DZGCQCFKSA-N 1 2 383.286 2.150 20 0 GEADLO COc1cc(Br)c2nc(N3CCn4c[nH+]cc4C3)nc(N)c2c1 ZINC000641601663 532700863 /nfs/dbraw/zinc/70/08/63/532700863.db2.gz HDTKAUDURQVDAX-UHFFFAOYSA-N 1 2 375.230 2.200 20 0 GEADLO C[C@H]1CCN(C(=O)Nc2cn(C)cc(Br)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000666692933 532702032 /nfs/dbraw/zinc/70/20/32/532702032.db2.gz GELSHZLGBKNHCM-SMDDNHRTSA-N 1 2 394.273 2.459 20 0 GEADLO O=C(NCc1n[nH]cc1Br)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000535779273 532687558 /nfs/dbraw/zinc/68/75/58/532687558.db2.gz XDEIUKAPSCKYGW-UHFFFAOYSA-N 1 2 396.264 2.339 20 0 GEADLO COc1ccc(Br)cc1C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000285530273 532688009 /nfs/dbraw/zinc/68/80/09/532688009.db2.gz SHHFIIFHCFWZRO-UHFFFAOYSA-N 1 2 391.331 2.219 20 0 GEADLO CC[C@@H](C(=O)N[C@H](C)c1ncc(Br)cn1)[N@@H+]1CCO[C@H](CC)C1 ZINC000486506653 532689914 /nfs/dbraw/zinc/68/99/14/532689914.db2.gz ODIXVBZAUCNIQI-BNOWGMLFSA-N 1 2 385.306 2.306 20 0 GEADLO CC[C@@H](C(=O)N[C@H](C)c1ncc(Br)cn1)[N@H+]1CCO[C@H](CC)C1 ZINC000486506653 532689919 /nfs/dbraw/zinc/68/99/19/532689919.db2.gz ODIXVBZAUCNIQI-BNOWGMLFSA-N 1 2 385.306 2.306 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c(Cl)c1 ZINC000285546127 532691015 /nfs/dbraw/zinc/69/10/15/532691015.db2.gz IJOKXRIUQWQNMY-CQSZACIVSA-N 1 2 387.933 2.190 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c(Cl)c1 ZINC000285546127 532691018 /nfs/dbraw/zinc/69/10/18/532691018.db2.gz IJOKXRIUQWQNMY-CQSZACIVSA-N 1 2 387.933 2.190 20 0 GEADLO COc1nsc(CN[C@@H](c2[nH+]ccn2C)C(C)(C)CO)c1Br ZINC000639224755 532691088 /nfs/dbraw/zinc/69/10/88/532691088.db2.gz PWDMTFQDWHIORC-NSHDSACASA-N 1 2 389.319 2.497 20 0 GEADLO Cn1ccnc1[C@H]([NH2+]Cc1cnn2cc(Br)cnc12)C(C)(C)CO ZINC000639224833 532691225 /nfs/dbraw/zinc/69/12/25/532691225.db2.gz QVOYGDGOVZTKFW-ZDUSSCGKSA-N 1 2 393.289 2.075 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CCO1 ZINC000440012153 532703398 /nfs/dbraw/zinc/70/33/98/532703398.db2.gz QNZINJJAGQSHLB-SNVBAGLBSA-N 1 2 392.258 2.298 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CCO1 ZINC000440012153 532703406 /nfs/dbraw/zinc/70/34/06/532703406.db2.gz QNZINJJAGQSHLB-SNVBAGLBSA-N 1 2 392.258 2.298 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)s1 ZINC000569687823 532704359 /nfs/dbraw/zinc/70/43/59/532704359.db2.gz UOCLERYQXFLHKJ-HNNXBMFYSA-N 1 2 381.523 2.185 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)s1 ZINC000569687823 532704362 /nfs/dbraw/zinc/70/43/62/532704362.db2.gz UOCLERYQXFLHKJ-HNNXBMFYSA-N 1 2 381.523 2.185 20 0 GEADLO COCCn1cc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)cn1 ZINC000266202088 532706823 /nfs/dbraw/zinc/70/68/23/532706823.db2.gz LNLRZZUMCZHGJK-UHFFFAOYSA-N 1 2 391.273 2.163 20 0 GEADLO CCCCN(C(=O)C[N@H+](CC)CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000299426923 532715801 /nfs/dbraw/zinc/71/58/01/532715801.db2.gz TZUIHIHDUNRHJX-MRXNPFEDSA-N 1 2 386.583 2.428 20 0 GEADLO CCCCN(C(=O)C[N@@H+](CC)CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000299426923 532715808 /nfs/dbraw/zinc/71/58/08/532715808.db2.gz TZUIHIHDUNRHJX-MRXNPFEDSA-N 1 2 386.583 2.428 20 0 GEADLO Cc1cc(NCCNS(=O)(=O)c2ccc(Cl)cc2F)nc(C2CC2)[nH+]1 ZINC000440666053 532720800 /nfs/dbraw/zinc/72/08/00/532720800.db2.gz NSNSDJOYSIIJAJ-UHFFFAOYSA-N 1 2 384.864 2.845 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C)CC(C)C)[nH+]c12 ZINC000673848360 532732617 /nfs/dbraw/zinc/73/26/17/532732617.db2.gz ZMBVETAEMNDOCP-UHFFFAOYSA-N 1 2 381.274 2.136 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000266720802 532722592 /nfs/dbraw/zinc/72/25/92/532722592.db2.gz MDJVMZXTOLUKEI-UHFFFAOYSA-N 1 2 375.416 2.320 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000266708123 532723184 /nfs/dbraw/zinc/72/31/84/532723184.db2.gz IERCPSWTVVIBLU-UHFFFAOYSA-N 1 2 379.551 2.187 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2cccc(SC)c2)C1 ZINC000646107486 532723421 /nfs/dbraw/zinc/72/34/21/532723421.db2.gz MUHZVKUEDLWQTP-HNNXBMFYSA-N 1 2 375.416 2.347 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2cccc(SC)c2)C1 ZINC000646107486 532723426 /nfs/dbraw/zinc/72/34/26/532723426.db2.gz MUHZVKUEDLWQTP-HNNXBMFYSA-N 1 2 375.416 2.347 20 0 GEADLO CS[C@H](C)CCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000539153112 532725048 /nfs/dbraw/zinc/72/50/48/532725048.db2.gz RRLPUUFWOGDEDV-CQSZACIVSA-N 1 2 385.555 2.093 20 0 GEADLO O=S(=O)(NCc1[nH+]ccn1CC(F)(F)F)c1ccc2c(c1)CCCO2 ZINC000539174101 532725576 /nfs/dbraw/zinc/72/55/76/532725576.db2.gz ZCNFHNJTSVPUDY-UHFFFAOYSA-N 1 2 375.372 2.249 20 0 GEADLO CC(C)(CNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)[NH+]1CCOCC1 ZINC000299575353 532727344 /nfs/dbraw/zinc/72/73/44/532727344.db2.gz BJXVQQWQMXUAAG-UHFFFAOYSA-N 1 2 385.295 2.411 20 0 GEADLO CC[C@H]1CN(Cc2cn3cc(Br)ccc3[nH+]2)C[C@@H](C)S1(=O)=O ZINC000672566125 532727541 /nfs/dbraw/zinc/72/75/41/532727541.db2.gz HDNQJINFHQCELN-RISCZKNCSA-N 1 2 386.315 2.494 20 0 GEADLO CCOC(=O)c1nc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)cs1 ZINC000539305285 532728144 /nfs/dbraw/zinc/72/81/44/532728144.db2.gz XCYQWMNRAXZEFL-LLVKDONJSA-N 1 2 383.495 2.079 20 0 GEADLO COC(=O)[C@H](NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1 ZINC000539454785 532730881 /nfs/dbraw/zinc/73/08/81/532730881.db2.gz JQPZUPIACNDSRF-OWCLPIDISA-N 1 2 383.286 2.116 20 0 GEADLO COC(=O)[C@H](NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1 ZINC000539454785 532730885 /nfs/dbraw/zinc/73/08/85/532730885.db2.gz JQPZUPIACNDSRF-OWCLPIDISA-N 1 2 383.286 2.116 20 0 GEADLO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000443214886 532742186 /nfs/dbraw/zinc/74/21/86/532742186.db2.gz WLKJWGMCCBUTII-UHFFFAOYSA-N 1 2 386.901 2.472 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(Nc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000301204632 532745162 /nfs/dbraw/zinc/74/51/62/532745162.db2.gz PDJPUANBPKCCNT-UHFFFAOYSA-N 1 2 384.889 2.311 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(SC(F)F)c1 ZINC000267545234 532745661 /nfs/dbraw/zinc/74/56/61/532745661.db2.gz BJLZFWFZPUVPLW-CYBMUJFWSA-N 1 2 375.441 2.158 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(SC(F)F)c1 ZINC000267545237 532745781 /nfs/dbraw/zinc/74/57/81/532745781.db2.gz BJLZFWFZPUVPLW-ZDUSSCGKSA-N 1 2 375.441 2.158 20 0 GEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000540043212 532735093 /nfs/dbraw/zinc/73/50/93/532735093.db2.gz RPWQVWXSZXYUDX-STQMWFEESA-N 1 2 375.332 2.247 20 0 GEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000540043212 532735098 /nfs/dbraw/zinc/73/50/98/532735098.db2.gz RPWQVWXSZXYUDX-STQMWFEESA-N 1 2 375.332 2.247 20 0 GEADLO C[NH+]1CCN(C(=O)CSc2nnc(Cc3c(F)cccc3Cl)o2)CC1 ZINC000540051857 532735338 /nfs/dbraw/zinc/73/53/38/532735338.db2.gz VHEBMTQUWKJQOD-UHFFFAOYSA-N 1 2 384.864 2.319 20 0 GEADLO Cc1cnc(N)c(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000501160590 532738240 /nfs/dbraw/zinc/73/82/40/532738240.db2.gz CIVUKCSCICWSIT-GOEBONIOSA-N 1 2 380.901 2.349 20 0 GEADLO Cc1cnc(N)c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000501160590 532738246 /nfs/dbraw/zinc/73/82/46/532738246.db2.gz CIVUKCSCICWSIT-GOEBONIOSA-N 1 2 380.901 2.349 20 0 GEADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000540470344 532738385 /nfs/dbraw/zinc/73/83/85/532738385.db2.gz STUKIZYFKOKDCJ-HOTGVXAUSA-N 1 2 383.286 2.070 20 0 GEADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000540470344 532738387 /nfs/dbraw/zinc/73/83/87/532738387.db2.gz STUKIZYFKOKDCJ-HOTGVXAUSA-N 1 2 383.286 2.070 20 0 GEADLO C[C@@H](Cc1cccs1)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000301074720 532738663 /nfs/dbraw/zinc/73/86/63/532738663.db2.gz GOUUTQNLEQNZFL-AWEZNQCLSA-N 1 2 380.539 2.122 20 0 GEADLO Cc1cc(N2CCC(NC(=O)CSc3n[nH]c(=S)s3)CC2)nc(C)[nH+]1 ZINC000267331084 532740089 /nfs/dbraw/zinc/74/00/89/532740089.db2.gz FYSLBBDFMAOREP-UHFFFAOYSA-N 1 2 396.567 2.111 20 0 GEADLO CCS(=O)(=O)N1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301148212 532741498 /nfs/dbraw/zinc/74/14/98/532741498.db2.gz BVZYHMSLDRMRFQ-UHFFFAOYSA-N 1 2 384.299 2.469 20 0 GEADLO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268075470 532755136 /nfs/dbraw/zinc/75/51/36/532755136.db2.gz SVTNAZRLKHEVRB-NSHDSACASA-N 1 2 383.857 2.403 20 0 GEADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC[N@@H+]1CCO ZINC000581373675 532755342 /nfs/dbraw/zinc/75/53/42/532755342.db2.gz GFDJFTSGJNGPTK-SECBINFHSA-N 1 2 394.686 2.110 20 0 GEADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC[N@H+]1CCO ZINC000581373675 532755347 /nfs/dbraw/zinc/75/53/47/532755347.db2.gz GFDJFTSGJNGPTK-SECBINFHSA-N 1 2 394.686 2.110 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(S(=O)(=O)C(C)(C)C)nc3)CC2)S1 ZINC000301647089 532756725 /nfs/dbraw/zinc/75/67/25/532756725.db2.gz PZOXRMZLPCNPGG-CYBMUJFWSA-N 1 2 382.555 2.267 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000507688391 532758170 /nfs/dbraw/zinc/75/81/70/532758170.db2.gz AQRLKAKBWPPKHP-VFZGTOFNSA-N 1 2 397.248 2.236 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000507688391 532758175 /nfs/dbraw/zinc/75/81/75/532758175.db2.gz AQRLKAKBWPPKHP-VFZGTOFNSA-N 1 2 397.248 2.236 20 0 GEADLO CC[N@H+](CCCc1c(F)cccc1Cl)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000447795680 532758703 /nfs/dbraw/zinc/75/87/03/532758703.db2.gz PHIHQQWWWGBNGL-ZDUSSCGKSA-N 1 2 390.908 2.037 20 0 GEADLO CC[N@@H+](CCCc1c(F)cccc1Cl)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000447795680 532758706 /nfs/dbraw/zinc/75/87/06/532758706.db2.gz PHIHQQWWWGBNGL-ZDUSSCGKSA-N 1 2 390.908 2.037 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000286644289 532759693 /nfs/dbraw/zinc/75/96/93/532759693.db2.gz DHVCQZQWMDKBEW-DGCLKSJQSA-N 1 2 393.285 2.261 20 0 GEADLO Cc1nnc(COCC(=O)NCc2cn3cc(Br)ccc3[nH+]2)s1 ZINC000507768334 532759839 /nfs/dbraw/zinc/75/98/39/532759839.db2.gz GPICGNOVINDOTB-UHFFFAOYSA-N 1 2 396.270 2.090 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)ncc1Cl ZINC000286651223 532759938 /nfs/dbraw/zinc/75/99/38/532759938.db2.gz DQPUKRPCFFBNGC-WDEREUQCSA-N 1 2 388.693 2.433 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000507800677 532760280 /nfs/dbraw/zinc/76/02/80/532760280.db2.gz DSBLJCWQDATZPC-WFASDCNBSA-N 1 2 397.317 2.101 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000507800677 532760284 /nfs/dbraw/zinc/76/02/84/532760284.db2.gz DSBLJCWQDATZPC-WFASDCNBSA-N 1 2 397.317 2.101 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000268292948 532760975 /nfs/dbraw/zinc/76/09/75/532760975.db2.gz VICSGPKMUDSBFT-YPMHNXCESA-N 1 2 385.287 2.312 20 0 GEADLO O=C1CCc2cc(Cl)c(S(=O)(=O)NCCCCn3cc[nH+]c3)cc2N1 ZINC000541869842 532761062 /nfs/dbraw/zinc/76/10/62/532761062.db2.gz RGKQSHPJLOAJSF-UHFFFAOYSA-N 1 2 382.873 2.180 20 0 GEADLO CN1CCOC[C@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000541888924 532761306 /nfs/dbraw/zinc/76/13/06/532761306.db2.gz DYKAMDPMRXDMOB-KRWDZBQOSA-N 1 2 386.323 2.011 20 0 GEADLO CC[N@@H+]1CCN(CCS(=O)(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000286465854 532749118 /nfs/dbraw/zinc/74/91/18/532749118.db2.gz KPCFXKMXXNGHJB-ZDUSSCGKSA-N 1 2 375.332 2.249 20 0 GEADLO CC[N@H+]1CCN(CCS(=O)(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000286465854 532749120 /nfs/dbraw/zinc/74/91/20/532749120.db2.gz KPCFXKMXXNGHJB-ZDUSSCGKSA-N 1 2 375.332 2.249 20 0 GEADLO CNC(=O)c1cccc(CCNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000301351626 532749303 /nfs/dbraw/zinc/74/93/03/532749303.db2.gz LOXJCCCRUGTQOD-UHFFFAOYSA-N 1 2 389.257 2.140 20 0 GEADLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](O)CCSC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541166436 532749567 /nfs/dbraw/zinc/74/95/67/532749567.db2.gz LXLIXGLFOKZUCL-OFQRWUPVSA-N 1 2 376.444 2.469 20 0 GEADLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](O)CCSC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541166436 532749571 /nfs/dbraw/zinc/74/95/71/532749571.db2.gz LXLIXGLFOKZUCL-OFQRWUPVSA-N 1 2 376.444 2.469 20 0 GEADLO CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1c[nH+]ccc1OC ZINC000286491076 532750611 /nfs/dbraw/zinc/75/06/11/532750611.db2.gz ICOXSEURUBRHEE-UHFFFAOYSA-N 1 2 378.479 2.400 20 0 GEADLO CC(C)[C@@H](C)CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000505891212 532751065 /nfs/dbraw/zinc/75/10/65/532751065.db2.gz WXZZRBHDKNTUPE-NSHDSACASA-N 1 2 381.274 2.121 20 0 GEADLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)NC[C@H]1CSCCS1 ZINC000267842545 532751448 /nfs/dbraw/zinc/75/14/48/532751448.db2.gz LUMQNLHUMWSXRX-DLBZAZTESA-N 1 2 381.567 2.208 20 0 GEADLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)NC[C@@H]1CSCCS1 ZINC000267842548 532751723 /nfs/dbraw/zinc/75/17/23/532751723.db2.gz LUMQNLHUMWSXRX-SJORKVTESA-N 1 2 381.567 2.208 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000286523079 532753256 /nfs/dbraw/zinc/75/32/56/532753256.db2.gz YEEVSEBZYTVWNA-MELADBBJSA-N 1 2 375.226 2.191 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000286523079 532753257 /nfs/dbraw/zinc/75/32/57/532753257.db2.gz YEEVSEBZYTVWNA-MELADBBJSA-N 1 2 375.226 2.191 20 0 GEADLO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1Cc1cc[nH+]c(N)c1 ZINC000411769929 532775146 /nfs/dbraw/zinc/77/51/46/532775146.db2.gz BLUQZBPPNJVCAD-HNNXBMFYSA-N 1 2 376.254 2.526 20 0 GEADLO COC[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccco1 ZINC000542559818 532775514 /nfs/dbraw/zinc/77/55/14/532775514.db2.gz XQOCKJFLUKTSPT-CQSZACIVSA-N 1 2 386.857 2.252 20 0 GEADLO CNC(=O)c1ccc(C[NH2+]Cc2ncc(I)s2)cc1 ZINC000311532507 532777098 /nfs/dbraw/zinc/77/70/98/532777098.db2.gz WLHPJXASVDGAEW-UHFFFAOYSA-N 1 2 387.246 2.397 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000512249104 532777168 /nfs/dbraw/zinc/77/71/68/532777168.db2.gz LACZKGFRCQVUHL-SECBINFHSA-N 1 2 391.280 2.296 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000512249104 532777172 /nfs/dbraw/zinc/77/71/72/532777172.db2.gz LACZKGFRCQVUHL-SECBINFHSA-N 1 2 391.280 2.296 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000542723894 532777355 /nfs/dbraw/zinc/77/73/55/532777355.db2.gz ZZGDLXAQPOHWCM-UHFFFAOYSA-N 1 2 399.921 2.363 20 0 GEADLO Cc1cc(S(=O)(=O)NC(C)(C)C[NH+]2CCOCC2)ccc1Br ZINC000308671579 532777415 /nfs/dbraw/zinc/77/74/15/532777415.db2.gz JKVGPQMTZRJPBJ-UHFFFAOYSA-N 1 2 391.331 2.147 20 0 GEADLO Cc1ccc(S(=O)(=O)NC(C)(C)C[NH+]2CCOCC2)c(Br)c1 ZINC000308671320 532777696 /nfs/dbraw/zinc/77/76/96/532777696.db2.gz IKWZXDIPGDPGRN-UHFFFAOYSA-N 1 2 391.331 2.147 20 0 GEADLO CC1(C)C[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cccs1 ZINC000286708534 532763993 /nfs/dbraw/zinc/76/39/93/532763993.db2.gz FKPVZFQIZQUDFM-MRXNPFEDSA-N 1 2 379.507 2.417 20 0 GEADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cccs1 ZINC000286708534 532763999 /nfs/dbraw/zinc/76/39/99/532763999.db2.gz FKPVZFQIZQUDFM-MRXNPFEDSA-N 1 2 379.507 2.417 20 0 GEADLO CCOCCS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542054256 532764002 /nfs/dbraw/zinc/76/40/02/532764002.db2.gz DMIVWVNJHZKMTE-GOEBONIOSA-N 1 2 380.432 2.195 20 0 GEADLO CCOCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542054256 532764007 /nfs/dbraw/zinc/76/40/07/532764007.db2.gz DMIVWVNJHZKMTE-GOEBONIOSA-N 1 2 380.432 2.195 20 0 GEADLO Cc1nc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)ccc1Br ZINC000301997257 532764406 /nfs/dbraw/zinc/76/44/06/532764406.db2.gz QCJWONJLPZMYBJ-UHFFFAOYSA-N 1 2 388.273 2.156 20 0 GEADLO C[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@H](C)O1 ZINC000508743260 532765311 /nfs/dbraw/zinc/76/53/11/532765311.db2.gz KVTMLKSNLAKTMA-OKILXGFUSA-N 1 2 385.302 2.396 20 0 GEADLO C[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C[C@H](C)O1 ZINC000508743260 532765319 /nfs/dbraw/zinc/76/53/19/532765319.db2.gz KVTMLKSNLAKTMA-OKILXGFUSA-N 1 2 385.302 2.396 20 0 GEADLO CCOC(=O)CCCS(=O)(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000451608731 532766747 /nfs/dbraw/zinc/76/67/47/532766747.db2.gz UAMGRZZPHABBSO-UHFFFAOYSA-N 1 2 385.873 2.288 20 0 GEADLO CCO[C@@H]1C[C@@](O)(CNc2[nH+]cnc3c2c(Br)nn3C)C1(C)C ZINC000302671092 532772745 /nfs/dbraw/zinc/77/27/45/532772745.db2.gz DPXWSEJETNNUAY-RFAUZJTJSA-N 1 2 384.278 2.104 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000302773798 532773611 /nfs/dbraw/zinc/77/36/11/532773611.db2.gz NVWXDUSAYUGKIF-UHFFFAOYSA-N 1 2 390.245 2.067 20 0 GEADLO O=S(=O)(NCCNc1cc(N2CCCC2)nc[nH+]1)c1cccc(Cl)c1 ZINC000302798430 532774112 /nfs/dbraw/zinc/77/41/12/532774112.db2.gz RKZODQSKLUPENW-UHFFFAOYSA-N 1 2 381.889 2.121 20 0 GEADLO O=S(=O)(NCCNc1cc(N2CCCC2)[nH+]cn1)c1cccc(Cl)c1 ZINC000302798430 532774117 /nfs/dbraw/zinc/77/41/17/532774117.db2.gz RKZODQSKLUPENW-UHFFFAOYSA-N 1 2 381.889 2.121 20 0 GEADLO CCn1cnc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000328722831 532796641 /nfs/dbraw/zinc/79/66/41/532796641.db2.gz AFXOUTLRSGFIRF-GDBMZVCRSA-N 1 2 386.880 2.419 20 0 GEADLO CCn1cnc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000328722831 532796643 /nfs/dbraw/zinc/79/66/43/532796643.db2.gz AFXOUTLRSGFIRF-GDBMZVCRSA-N 1 2 386.880 2.419 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000456496988 532783240 /nfs/dbraw/zinc/78/32/40/532783240.db2.gz YHNOXZDVHMEZAD-GFCCVEGCSA-N 1 2 398.276 2.222 20 0 GEADLO COc1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1Br ZINC000269591259 532784038 /nfs/dbraw/zinc/78/40/38/532784038.db2.gz IESDEQXSCFBPTL-UHFFFAOYSA-N 1 2 391.331 2.314 20 0 GEADLO C[C@H]1[C@H](CO)CCC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000412102588 532786031 /nfs/dbraw/zinc/78/60/31/532786031.db2.gz ZZOYUHBWZOTFAA-STQMWFEESA-N 1 2 376.316 2.316 20 0 GEADLO C[C@H]1[C@H](CO)CCC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000412102588 532786033 /nfs/dbraw/zinc/78/60/33/532786033.db2.gz ZZOYUHBWZOTFAA-STQMWFEESA-N 1 2 376.316 2.316 20 0 GEADLO O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000287209167 532786326 /nfs/dbraw/zinc/78/63/26/532786326.db2.gz FIEOQNANKXHGMF-LBPRGKRZSA-N 1 2 394.871 2.351 20 0 GEADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc(Cl)cc(Br)c1F ZINC000457103076 532786532 /nfs/dbraw/zinc/78/65/32/532786532.db2.gz RTUZSHXHHXQBSB-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(Cl)cc(Br)c1F ZINC000457103076 532786536 /nfs/dbraw/zinc/78/65/36/532786536.db2.gz RTUZSHXHHXQBSB-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cnc1Cl ZINC000287225365 532786566 /nfs/dbraw/zinc/78/65/66/532786566.db2.gz IWNXFBZJQUMPNW-PWSUYJOCSA-N 1 2 388.693 2.433 20 0 GEADLO CNc1cc(I)ccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000412278430 532787783 /nfs/dbraw/zinc/78/77/83/532787783.db2.gz XDUWPLRPOHJUED-NSHDSACASA-N 1 2 396.232 2.274 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)[NH+]1CCSCC1 ZINC000269721041 532788170 /nfs/dbraw/zinc/78/81/70/532788170.db2.gz XNPSKXMJSVVOHK-LBPRGKRZSA-N 1 2 379.507 2.258 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(Br)c(C)c2)CC1 ZINC000412434491 532792354 /nfs/dbraw/zinc/79/23/54/532792354.db2.gz IAINNPUATSDKIT-UHFFFAOYSA-N 1 2 385.302 2.177 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2csc(Br)c2C)CC1 ZINC000412434288 532792595 /nfs/dbraw/zinc/79/25/95/532792595.db2.gz HCLMWZUTVCEBAB-UHFFFAOYSA-N 1 2 391.331 2.238 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000287417463 532794298 /nfs/dbraw/zinc/79/42/98/532794298.db2.gz QCQHKACMUOZRHF-VXGBXAGGSA-N 1 2 380.539 2.359 20 0 GEADLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000411926818 532780928 /nfs/dbraw/zinc/78/09/28/532780928.db2.gz WTADILJWBPZGBN-KBPBESRZSA-N 1 2 382.258 2.005 20 0 GEADLO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000411926818 532780932 /nfs/dbraw/zinc/78/09/32/532780932.db2.gz WTADILJWBPZGBN-KBPBESRZSA-N 1 2 382.258 2.005 20 0 GEADLO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCn2cc[nH+]c2C1 ZINC000329346612 532805825 /nfs/dbraw/zinc/80/58/25/532805825.db2.gz RJPSVNNVRWISJP-LBPRGKRZSA-N 1 2 389.253 2.041 20 0 GEADLO C[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(F)cc1)[NH+]1CCSCC1 ZINC000329392142 532806590 /nfs/dbraw/zinc/80/65/90/532806590.db2.gz RYYNBRRKCKKPDZ-IUODEOHRSA-N 1 2 383.514 2.103 20 0 GEADLO C[C@H]1[C@H](CO)CCCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000413150868 532807182 /nfs/dbraw/zinc/80/71/82/532807182.db2.gz FIOQMMCFTUPKRI-RYUDHWBXSA-N 1 2 381.274 2.399 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1ccc(Br)s1 ZINC000413139327 532807475 /nfs/dbraw/zinc/80/74/75/532807475.db2.gz VRKSNDCSBOUBDV-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)C1CCC(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC000329618348 532809520 /nfs/dbraw/zinc/80/95/20/532809520.db2.gz SWFVCNIOUODOBZ-YMAMQOFZSA-N 1 2 386.480 2.384 20 0 GEADLO COCCCOCC[N@H+](C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000271597782 532809605 /nfs/dbraw/zinc/80/96/05/532809605.db2.gz SOXDBEFDBIIBBE-UHFFFAOYSA-N 1 2 394.331 2.208 20 0 GEADLO COCCCOCC[N@@H+](C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000271597782 532809607 /nfs/dbraw/zinc/80/96/07/532809607.db2.gz SOXDBEFDBIIBBE-UHFFFAOYSA-N 1 2 394.331 2.208 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(Br)n1 ZINC000271618901 532810379 /nfs/dbraw/zinc/81/03/79/532810379.db2.gz IBCGPLJWAQJYIM-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO CSCCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000550805702 532798478 /nfs/dbraw/zinc/79/84/78/532798478.db2.gz GDXNWYNUDULRDD-UHFFFAOYSA-N 1 2 383.945 2.244 20 0 GEADLO CSCCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000550805702 532798482 /nfs/dbraw/zinc/79/84/82/532798482.db2.gz GDXNWYNUDULRDD-UHFFFAOYSA-N 1 2 383.945 2.244 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000270540964 532799352 /nfs/dbraw/zinc/79/93/52/532799352.db2.gz XMVMXKKSRUZQFB-AWEZNQCLSA-N 1 2 394.269 2.350 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000270540964 532799356 /nfs/dbraw/zinc/79/93/56/532799356.db2.gz XMVMXKKSRUZQFB-AWEZNQCLSA-N 1 2 394.269 2.350 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)c1cccc(Br)c1Cl ZINC000551562126 532800304 /nfs/dbraw/zinc/80/03/04/532800304.db2.gz WANQCYJKTGTDJQ-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000329001884 532801331 /nfs/dbraw/zinc/80/13/31/532801331.db2.gz WCNPBZXVXFENBX-LBPRGKRZSA-N 1 2 378.274 2.268 20 0 GEADLO Cc1ccc(CS(=O)(=O)CCc2c(C)nc3sccn3c2=O)c(C)[nH+]1 ZINC000551949479 532803260 /nfs/dbraw/zinc/80/32/60/532803260.db2.gz YUHZKBMOMZKPMN-UHFFFAOYSA-N 1 2 377.491 2.234 20 0 GEADLO O=S(=O)(CCCCF)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000287639121 532804246 /nfs/dbraw/zinc/80/42/46/532804246.db2.gz BUFUWLBVJXPMRG-UHFFFAOYSA-N 1 2 388.896 2.185 20 0 GEADLO O=C(NC[C@@H]1CCCS(=O)(=O)C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000287852102 532811453 /nfs/dbraw/zinc/81/14/53/532811453.db2.gz WVTMTPIUOUWOPN-ZDUSSCGKSA-N 1 2 386.543 2.075 20 0 GEADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000272223393 532813839 /nfs/dbraw/zinc/81/38/39/532813839.db2.gz KPIAVEOSUXOVTO-CHWSQXEVSA-N 1 2 398.301 2.003 20 0 GEADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000272223393 532813842 /nfs/dbraw/zinc/81/38/42/532813842.db2.gz KPIAVEOSUXOVTO-CHWSQXEVSA-N 1 2 398.301 2.003 20 0 GEADLO CCN1CCN(S(=O)(=O)c2ccc3ncsc3c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330305935 532816760 /nfs/dbraw/zinc/81/67/60/532816760.db2.gz RBNBYDXIVYUBNW-AWEZNQCLSA-N 1 2 377.495 2.087 20 0 GEADLO CN(C(=O)C1(c2cncc(Br)c2)CC1)C(C)(C)C[NH+]1CCOCC1 ZINC000414043594 532818287 /nfs/dbraw/zinc/81/82/87/532818287.db2.gz QOZLBKLGHCRWAJ-UHFFFAOYSA-N 1 2 396.329 2.445 20 0 GEADLO COCCC[N@H+](Cc1cccc2c1OC(F)(F)O2)[C@H]1CCS(=O)(=O)C1 ZINC000414366076 532822357 /nfs/dbraw/zinc/82/23/57/532822357.db2.gz AVHDUTAFJNEYIJ-ZDUSSCGKSA-N 1 2 377.409 2.034 20 0 GEADLO COCCC[N@@H+](Cc1cccc2c1OC(F)(F)O2)[C@H]1CCS(=O)(=O)C1 ZINC000414366076 532822360 /nfs/dbraw/zinc/82/23/60/532822360.db2.gz AVHDUTAFJNEYIJ-ZDUSSCGKSA-N 1 2 377.409 2.034 20 0 GEADLO CCC[C@@H](O)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273409392 532823664 /nfs/dbraw/zinc/82/36/64/532823664.db2.gz CHZOHXBNEFPBEU-CQSZACIVSA-N 1 2 383.290 2.408 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@H](C)O1 ZINC000330666834 532824686 /nfs/dbraw/zinc/82/46/86/532824686.db2.gz IIOCGVWJRZOTQF-PHIMTYICSA-N 1 2 382.860 2.396 20 0 GEADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@H](C)O1 ZINC000330666834 532824688 /nfs/dbraw/zinc/82/46/88/532824688.db2.gz IIOCGVWJRZOTQF-PHIMTYICSA-N 1 2 382.860 2.396 20 0 GEADLO COC(=O)C[C@@H]1CN(Cc2c[nH+]c3c(C)cc(Br)cn23)CCO1 ZINC000273485032 532825225 /nfs/dbraw/zinc/82/52/25/532825225.db2.gz LSZPHCUFUMMALK-CQSZACIVSA-N 1 2 382.258 2.169 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)Cn3cccn3)[nH+]c12 ZINC000273496979 532825290 /nfs/dbraw/zinc/82/52/90/532825290.db2.gz ACEDMDVKCMOMNW-LBPRGKRZSA-N 1 2 391.273 2.490 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3CCCO3)[nH+]c12 ZINC000273512031 532825867 /nfs/dbraw/zinc/82/58/67/532825867.db2.gz RDIPDELTTMCZFW-CQSZACIVSA-N 1 2 381.274 2.426 20 0 GEADLO CC(C)CN(C)S(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000330732767 532826237 /nfs/dbraw/zinc/82/62/37/532826237.db2.gz LFUJGFWOHAARPF-UHFFFAOYSA-N 1 2 375.485 2.351 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)NC(C)(C)COc1ncccc1Br ZINC000273570417 532826855 /nfs/dbraw/zinc/82/68/55/532826855.db2.gz ITLVTVXMZIHYSF-UHFFFAOYSA-N 1 2 382.262 2.234 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000414471079 532830191 /nfs/dbraw/zinc/83/01/91/532830191.db2.gz QGBIXTMPDTUCCJ-LLVKDONJSA-N 1 2 388.287 2.269 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000414469381 532830521 /nfs/dbraw/zinc/83/05/21/532830521.db2.gz LXMMQDDUSIENCZ-SNVBAGLBSA-N 1 2 388.852 2.249 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330881236 532828819 /nfs/dbraw/zinc/82/88/19/532828819.db2.gz YZYSWLZDEWUPOW-VXGBXAGGSA-N 1 2 389.315 2.143 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330881236 532828836 /nfs/dbraw/zinc/82/88/36/532828836.db2.gz YZYSWLZDEWUPOW-VXGBXAGGSA-N 1 2 389.315 2.143 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000273771653 532834324 /nfs/dbraw/zinc/83/43/24/532834324.db2.gz RAIBCQVXTUJMRX-CYBMUJFWSA-N 1 2 378.274 2.133 20 0 GEADLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000331221349 532836458 /nfs/dbraw/zinc/83/64/58/532836458.db2.gz KBDOVZIAGCNDDH-LLVKDONJSA-N 1 2 385.288 2.210 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C[C@H]1C ZINC000331340420 532838321 /nfs/dbraw/zinc/83/83/21/532838321.db2.gz XGRZSJZVCUCOOR-VXGBXAGGSA-N 1 2 376.906 2.460 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C[C@H]1C ZINC000331340420 532838323 /nfs/dbraw/zinc/83/83/23/532838323.db2.gz XGRZSJZVCUCOOR-VXGBXAGGSA-N 1 2 376.906 2.460 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000273955651 532838394 /nfs/dbraw/zinc/83/83/94/532838394.db2.gz FXRSHPYMGVXOIA-HUUCEWRRSA-N 1 2 379.507 2.179 20 0 GEADLO C[C@@H]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)C[C@@H]1n1cc[nH+]c1 ZINC000331456898 532840116 /nfs/dbraw/zinc/84/01/16/532840116.db2.gz KAXIEIFBYOAVKC-OCCSQVGLSA-N 1 2 382.511 2.141 20 0 GEADLO O=C(C[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1)N1CCCC1 ZINC000057159251 205154358 /nfs/dbraw/zinc/15/43/58/205154358.db2.gz VETLNNWLUAVPMC-UHFFFAOYSA-N 1 2 384.402 2.477 20 0 GEADLO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000071990953 205301404 /nfs/dbraw/zinc/30/14/04/205301404.db2.gz FHVKBNYLXBYNJZ-UHFFFAOYSA-N 1 2 390.571 2.079 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@](C)(O)C3)[nH+]c12 ZINC000274166135 532843133 /nfs/dbraw/zinc/84/31/33/532843133.db2.gz HTWMXQRPOGLSTR-INIZCTEOSA-N 1 2 381.274 2.462 20 0 GEADLO CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274253816 532846055 /nfs/dbraw/zinc/84/60/55/532846055.db2.gz ZGUTWSLQTKCMGX-UHFFFAOYSA-N 1 2 380.432 2.189 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@]3(O)CCSC3)[nH+]c12 ZINC000274274838 532846755 /nfs/dbraw/zinc/84/67/55/532846755.db2.gz XQZVLKYDJAWHQA-HNNXBMFYSA-N 1 2 399.314 2.072 20 0 GEADLO COC(=O)C1(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)CC1 ZINC000274278386 532847179 /nfs/dbraw/zinc/84/71/79/532847179.db2.gz GZJXCOWWUZIFQT-UHFFFAOYSA-N 1 2 380.242 2.017 20 0 GEADLO CNS(=O)(=O)c1csc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000274292957 532847225 /nfs/dbraw/zinc/84/72/25/532847225.db2.gz NKBLIENTACDHLN-LBPRGKRZSA-N 1 2 399.563 2.237 20 0 GEADLO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000332020792 532847836 /nfs/dbraw/zinc/84/78/36/532847836.db2.gz FWQAFYGELNQNCU-NWDGAFQWSA-N 1 2 398.305 2.072 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(Cc2nnnn2-c2ccccc2Br)C[C@H]1C ZINC000332023697 532847869 /nfs/dbraw/zinc/84/78/69/532847869.db2.gz YJRWDMSMQFKISP-OLZOCXBDSA-N 1 2 379.306 2.339 20 0 GEADLO CC[N@H+]1C[C@H](C)N(Cc2nnnn2-c2ccccc2Br)C[C@H]1C ZINC000332023697 532847872 /nfs/dbraw/zinc/84/78/72/532847872.db2.gz YJRWDMSMQFKISP-OLZOCXBDSA-N 1 2 379.306 2.339 20 0 GEADLO C[C@@H](c1ncc(Br)cn1)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000332077728 532848619 /nfs/dbraw/zinc/84/86/19/532848619.db2.gz GZFFVMBHMRSSFN-BIMULSAOSA-N 1 2 379.262 2.284 20 0 GEADLO C[C@@H](c1ncc(Br)cn1)[N@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000332077728 532848622 /nfs/dbraw/zinc/84/86/22/532848622.db2.gz GZFFVMBHMRSSFN-BIMULSAOSA-N 1 2 379.262 2.284 20 0 GEADLO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000332187847 532849400 /nfs/dbraw/zinc/84/94/00/532849400.db2.gz OYLNIGYVJSGBNH-XHDPSFHLSA-N 1 2 391.320 2.465 20 0 GEADLO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000332187847 532849403 /nfs/dbraw/zinc/84/94/03/532849403.db2.gz OYLNIGYVJSGBNH-XHDPSFHLSA-N 1 2 391.320 2.465 20 0 GEADLO CCOC(=O)[C@@](C)(O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000274582663 532852114 /nfs/dbraw/zinc/85/21/14/532852114.db2.gz HWVGPPZGAWQGAR-SFHVURJKSA-N 1 2 389.323 2.468 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(Cl)c1OC ZINC000289338442 532852697 /nfs/dbraw/zinc/85/26/97/532852697.db2.gz HMIUOPBWBDCAQQ-CYBMUJFWSA-N 1 2 376.906 2.213 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(Cl)c1OC ZINC000289338442 532852699 /nfs/dbraw/zinc/85/26/99/532852699.db2.gz HMIUOPBWBDCAQQ-CYBMUJFWSA-N 1 2 376.906 2.213 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1)Nc1ccc(Cl)cn1 ZINC000289407328 532853860 /nfs/dbraw/zinc/85/38/60/532853860.db2.gz GMCAHHDLVXJUBC-SNVBAGLBSA-N 1 2 378.782 2.064 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1)Nc1ccc(Cl)cn1 ZINC000289407328 532853862 /nfs/dbraw/zinc/85/38/62/532853862.db2.gz GMCAHHDLVXJUBC-SNVBAGLBSA-N 1 2 378.782 2.064 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1)Nc1ccc(Cl)cn1 ZINC000289407326 532854034 /nfs/dbraw/zinc/85/40/34/532854034.db2.gz GMCAHHDLVXJUBC-JTQLQIEISA-N 1 2 378.782 2.064 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1)Nc1ccc(Cl)cn1 ZINC000289407326 532854038 /nfs/dbraw/zinc/85/40/38/532854038.db2.gz GMCAHHDLVXJUBC-JTQLQIEISA-N 1 2 378.782 2.064 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000289461751 532855846 /nfs/dbraw/zinc/85/58/46/532855846.db2.gz QFIZLLZAOORSCT-SNVBAGLBSA-N 1 2 394.273 2.067 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000332521227 532856906 /nfs/dbraw/zinc/85/69/06/532856906.db2.gz ZGBFPIBYHNCXRV-UHFFFAOYSA-N 1 2 377.242 2.250 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000332521227 532856910 /nfs/dbraw/zinc/85/69/10/532856910.db2.gz ZGBFPIBYHNCXRV-UHFFFAOYSA-N 1 2 377.242 2.250 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000274901288 532858836 /nfs/dbraw/zinc/85/88/36/532858836.db2.gz SNJRXBGKYSWJNB-JTQLQIEISA-N 1 2 381.263 2.312 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000274901288 532858840 /nfs/dbraw/zinc/85/88/40/532858840.db2.gz SNJRXBGKYSWJNB-JTQLQIEISA-N 1 2 381.263 2.312 20 0 GEADLO O=C1[C@@H]([N@@H+]2CCc3n[nH]c(=O)cc3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000274944815 532860098 /nfs/dbraw/zinc/86/00/98/532860098.db2.gz FXKFMOXOOAUIQL-HNNXBMFYSA-N 1 2 379.247 2.240 20 0 GEADLO O=C1[C@@H]([N@H+]2CCc3n[nH]c(=O)cc3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000274944815 532860099 /nfs/dbraw/zinc/86/00/99/532860099.db2.gz FXKFMOXOOAUIQL-HNNXBMFYSA-N 1 2 379.247 2.240 20 0 GEADLO CN1CCc2ccc(S(=O)(=O)NCC[N@@H+]3CCc4sccc4C3)cc21 ZINC000333032425 532862597 /nfs/dbraw/zinc/86/25/97/532862597.db2.gz ASPZRZWPLYTSDP-UHFFFAOYSA-N 1 2 377.535 2.077 20 0 GEADLO CN1CCc2ccc(S(=O)(=O)NCC[N@H+]3CCc4sccc4C3)cc21 ZINC000333032425 532862601 /nfs/dbraw/zinc/86/26/01/532862601.db2.gz ASPZRZWPLYTSDP-UHFFFAOYSA-N 1 2 377.535 2.077 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000333125376 532864445 /nfs/dbraw/zinc/86/44/45/532864445.db2.gz VWZHJXILFDPHQV-QGZVFWFLSA-N 1 2 379.551 2.183 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000333125376 532864448 /nfs/dbraw/zinc/86/44/48/532864448.db2.gz VWZHJXILFDPHQV-QGZVFWFLSA-N 1 2 379.551 2.183 20 0 GEADLO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1nc2ccccn2c1Br ZINC000289779803 532864655 /nfs/dbraw/zinc/86/46/55/532864655.db2.gz RIAMGRDWUOKHAQ-FZMZJTMJSA-N 1 2 376.258 2.450 20 0 GEADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275149047 532866549 /nfs/dbraw/zinc/86/65/49/532866549.db2.gz XIMBTLCQXGNJDJ-VHSXEESVSA-N 1 2 378.782 2.062 20 0 GEADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275149047 532866550 /nfs/dbraw/zinc/86/65/50/532866550.db2.gz XIMBTLCQXGNJDJ-VHSXEESVSA-N 1 2 378.782 2.062 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000275161465 532867108 /nfs/dbraw/zinc/86/71/08/532867108.db2.gz RQQFOYBJIQZRNP-UHFFFAOYSA-N 1 2 377.794 2.253 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000333479482 532869396 /nfs/dbraw/zinc/86/93/96/532869396.db2.gz HBEFPOJPCGVHNU-VQISRLSMSA-N 1 2 382.258 2.044 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2nnc(C(F)(F)F)s2)CCO1 ZINC000275270764 532870447 /nfs/dbraw/zinc/87/04/47/532870447.db2.gz JIYDGBOBTWUMDW-CBAPKCEASA-N 1 2 376.364 2.332 20 0 GEADLO CCN(C1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)CC1)S(C)(=O)=O ZINC000290038907 532870867 /nfs/dbraw/zinc/87/08/67/532870867.db2.gz UNVFVHSDFADIOK-UHFFFAOYSA-N 1 2 388.917 2.357 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CCC(O)CC1 ZINC000333571488 532871228 /nfs/dbraw/zinc/87/12/28/532871228.db2.gz YEJTUSHEOYNZFP-UHFFFAOYSA-N 1 2 384.274 2.170 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Br)c(C4CC4)n3)C[C@@H]21 ZINC000333734565 532872925 /nfs/dbraw/zinc/87/29/25/532872925.db2.gz XDCJWHSQPXOSLT-QWHCGFSZSA-N 1 2 381.274 2.268 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Br)c(C4CC4)n3)C[C@@H]21 ZINC000333734565 532872926 /nfs/dbraw/zinc/87/29/26/532872926.db2.gz XDCJWHSQPXOSLT-QWHCGFSZSA-N 1 2 381.274 2.268 20 0 GEADLO CC1(C)C[N@H+](CCS(=O)(=O)c2cccc(Br)c2)CC[C@@H]1O ZINC000275413053 532875618 /nfs/dbraw/zinc/87/56/18/532875618.db2.gz GMPYJTNNNKFWJU-AWEZNQCLSA-N 1 2 376.316 2.316 20 0 GEADLO CC1(C)C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)CC[C@@H]1O ZINC000275413053 532875621 /nfs/dbraw/zinc/87/56/21/532875621.db2.gz GMPYJTNNNKFWJU-AWEZNQCLSA-N 1 2 376.316 2.316 20 0 GEADLO O=S1(=O)CCN(Cc2c[nH+]c3ccc(Br)cn23)[C@H](C2CCC2)C1 ZINC000333944139 532875965 /nfs/dbraw/zinc/87/59/65/532875965.db2.gz RQTBSDFYMQDGFO-HNNXBMFYSA-N 1 2 398.326 2.496 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)[C@@H]3OC[C@H]4COCC[C@@H]43)[nH+]c12 ZINC000290323444 532877984 /nfs/dbraw/zinc/87/79/84/532877984.db2.gz AYRDBODGWRXIIU-BYCMXARLSA-N 1 2 394.269 2.073 20 0 GEADLO CCOc1c(Cl)cc(C[N@H+](CCOC)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000290440627 532880995 /nfs/dbraw/zinc/88/09/95/532880995.db2.gz LUQDIDJPGCDDJL-AWEZNQCLSA-N 1 2 391.917 2.383 20 0 GEADLO CCOc1c(Cl)cc(C[N@@H+](CCOC)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000290440627 532880997 /nfs/dbraw/zinc/88/09/97/532880997.db2.gz LUQDIDJPGCDDJL-AWEZNQCLSA-N 1 2 391.917 2.383 20 0 GEADLO Cn1c[nH+]cc1Cc1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000350415029 532885790 /nfs/dbraw/zinc/88/57/90/532885790.db2.gz AGPAPGXWSYZDKM-UHFFFAOYSA-N 1 2 376.214 2.086 20 0 GEADLO CC[C@@H](C[NH2+]Cc1nccn1S(=O)(=O)N(C)C)Oc1ccccc1Cl ZINC000290785407 532889559 /nfs/dbraw/zinc/88/95/59/532889559.db2.gz CQHCTHGQJZSJQS-ZDUSSCGKSA-N 1 2 386.905 2.138 20 0 GEADLO CS(=O)(=O)CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000360246302 532889965 /nfs/dbraw/zinc/88/99/65/532889965.db2.gz LFWWXCXHLCKRIE-AWEZNQCLSA-N 1 2 389.315 2.287 20 0 GEADLO CS(=O)(=O)CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000360246302 532889967 /nfs/dbraw/zinc/88/99/67/532889967.db2.gz LFWWXCXHLCKRIE-AWEZNQCLSA-N 1 2 389.315 2.287 20 0 GEADLO COc1ncc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cc1Br ZINC000351358791 532887931 /nfs/dbraw/zinc/88/79/31/532887931.db2.gz SBKZWWYQMMNVIR-GFCCVEGCSA-N 1 2 381.230 2.438 20 0 GEADLO COc1ncc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cc1Br ZINC000351358791 532887933 /nfs/dbraw/zinc/88/79/33/532887933.db2.gz SBKZWWYQMMNVIR-GFCCVEGCSA-N 1 2 381.230 2.438 20 0 GEADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(I)c[nH]1)CCC2 ZINC000360775303 532890720 /nfs/dbraw/zinc/89/07/20/532890720.db2.gz DXUWKTRJPUBHQJ-JTQLQIEISA-N 1 2 384.221 2.432 20 0 GEADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccncc1I)CCC2 ZINC000361199694 532892593 /nfs/dbraw/zinc/89/25/93/532892593.db2.gz FXCYHWONHABQSH-LLVKDONJSA-N 1 2 396.232 2.499 20 0 GEADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc(I)c[nH]1)CCC2 ZINC000360775304 532890650 /nfs/dbraw/zinc/89/06/50/532890650.db2.gz DXUWKTRJPUBHQJ-SNVBAGLBSA-N 1 2 384.221 2.432 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCCOC1)[C@@H]1SCCc2sccc21 ZINC000361305453 532893273 /nfs/dbraw/zinc/89/32/73/532893273.db2.gz YBAWJFCJYINZPY-SJLPKXTDSA-N 1 2 382.551 2.076 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NOC[C@@H]3CCOC3)[nH+]c12 ZINC000276353194 532894285 /nfs/dbraw/zinc/89/42/85/532894285.db2.gz WZROUNYULMBPIJ-LLVKDONJSA-N 1 2 383.246 2.173 20 0 GEADLO Cc1cnc(Cl)c(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000276366334 532894480 /nfs/dbraw/zinc/89/44/80/532894480.db2.gz MOJFPHTWNOSMJB-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO Cc1cnc(Cl)c(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000276366334 532894482 /nfs/dbraw/zinc/89/44/82/532894482.db2.gz MOJFPHTWNOSMJB-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1)Nc1cccnc1Cl ZINC000361921409 532894560 /nfs/dbraw/zinc/89/45/60/532894560.db2.gz HVPZTYFSLBSNSK-LLVKDONJSA-N 1 2 379.873 2.481 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1)Nc1cccnc1Cl ZINC000361921409 532894561 /nfs/dbraw/zinc/89/45/61/532894561.db2.gz HVPZTYFSLBSNSK-LLVKDONJSA-N 1 2 379.873 2.481 20 0 GEADLO Cc1ccc(S(=O)(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)s1 ZINC000276394632 532894943 /nfs/dbraw/zinc/89/49/43/532894943.db2.gz BGEJQSXBZHHBQH-OAHLLOKOSA-N 1 2 379.507 2.307 20 0 GEADLO Cc1ccc(S(=O)(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)s1 ZINC000276394632 532894944 /nfs/dbraw/zinc/89/49/44/532894944.db2.gz BGEJQSXBZHHBQH-OAHLLOKOSA-N 1 2 379.507 2.307 20 0 GEADLO C[C@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000291001017 532895030 /nfs/dbraw/zinc/89/50/30/532895030.db2.gz ATUSTPQBMBZTGL-NSHDSACASA-N 1 2 376.404 2.407 20 0 GEADLO O=c1ccc(N2CC[NH+](CCOc3ccccc3Br)CC2)n[nH]1 ZINC000362389692 532896132 /nfs/dbraw/zinc/89/61/32/532896132.db2.gz QFUYGYMGHXIADJ-UHFFFAOYSA-N 1 2 379.258 2.146 20 0 GEADLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Br)CCO1 ZINC000276452336 532896587 /nfs/dbraw/zinc/89/65/87/532896587.db2.gz XSQNIWDBYTUWRR-CMPLNLGQSA-N 1 2 394.273 2.433 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000363941541 532902316 /nfs/dbraw/zinc/90/23/16/532902316.db2.gz XBCBWXIUWNGYBZ-UHFFFAOYSA-N 1 2 376.218 2.085 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363928514 532902344 /nfs/dbraw/zinc/90/23/44/532902344.db2.gz CCUJOEMLSDNVEU-HIFRSBDPSA-N 1 2 383.286 2.150 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)CCOc1cccc(I)c1 ZINC000291395114 532901489 /nfs/dbraw/zinc/90/14/89/532901489.db2.gz ICMONVLPSAQQKY-UHFFFAOYSA-N 1 2 385.205 2.110 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccnn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000364028353 532902697 /nfs/dbraw/zinc/90/26/97/532902697.db2.gz HLFSHVTWFNXYOQ-HOCLYGCPSA-N 1 2 386.880 2.326 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)c2ccnn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000364028353 532902698 /nfs/dbraw/zinc/90/26/98/532902698.db2.gz HLFSHVTWFNXYOQ-HOCLYGCPSA-N 1 2 386.880 2.326 20 0 GEADLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2ccc3ncsc3c2)C1 ZINC000276892556 532903103 /nfs/dbraw/zinc/90/31/03/532903103.db2.gz GNLFZLIAOAXKJE-CQSZACIVSA-N 1 2 381.523 2.028 20 0 GEADLO C[N@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2ccc3ncsc3c2)C1 ZINC000276892556 532903106 /nfs/dbraw/zinc/90/31/06/532903106.db2.gz GNLFZLIAOAXKJE-CQSZACIVSA-N 1 2 381.523 2.028 20 0 GEADLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000364105850 532903331 /nfs/dbraw/zinc/90/33/31/532903331.db2.gz NAKFIJODWFPNBQ-CQSZACIVSA-N 1 2 384.299 2.250 20 0 GEADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000364105850 532903332 /nfs/dbraw/zinc/90/33/32/532903332.db2.gz NAKFIJODWFPNBQ-CQSZACIVSA-N 1 2 384.299 2.250 20 0 GEADLO C[C@@]1(C(N)=O)CC[N@H+](Cc2c(Br)cncc2Br)C1 ZINC000291552269 532903849 /nfs/dbraw/zinc/90/38/49/532903849.db2.gz MKGYPMRGGCSINE-GFCCVEGCSA-N 1 2 377.080 2.304 20 0 GEADLO C[C@@]1(C(N)=O)CC[N@@H+](Cc2c(Br)cncc2Br)C1 ZINC000291552269 532903852 /nfs/dbraw/zinc/90/38/52/532903852.db2.gz MKGYPMRGGCSINE-GFCCVEGCSA-N 1 2 377.080 2.304 20 0 GEADLO COCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000276974524 532904660 /nfs/dbraw/zinc/90/46/60/532904660.db2.gz XJSQLYHJSOVHMC-UHFFFAOYSA-N 1 2 397.722 2.055 20 0 GEADLO Nc1ccc(S(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cc1 ZINC000276986312 532905060 /nfs/dbraw/zinc/90/50/60/532905060.db2.gz GFGPSCCUXNHZJE-QGZVFWFLSA-N 1 2 377.535 2.165 20 0 GEADLO Nc1ccc(S(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000276986312 532905061 /nfs/dbraw/zinc/90/50/61/532905061.db2.gz GFGPSCCUXNHZJE-QGZVFWFLSA-N 1 2 377.535 2.165 20 0 GEADLO Cc1nc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)s3)CC2)cc[nH+]1 ZINC000291648494 532905810 /nfs/dbraw/zinc/90/58/10/532905810.db2.gz HYQURZDEBAWNKX-UHFFFAOYSA-N 1 2 392.428 2.376 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cn2ccc(Br)cc2n1 ZINC000291664308 532906833 /nfs/dbraw/zinc/90/68/33/532906833.db2.gz VPHZDBQXQPSYRT-CZUORRHYSA-N 1 2 379.302 2.392 20 0 GEADLO O=C(NC[C@@H]1CCC[N@H+](Cc2ncc(C3OCCO3)s2)C1)C(F)(F)F ZINC000291690273 532907057 /nfs/dbraw/zinc/90/70/57/532907057.db2.gz YAEJITGEMKAWEK-JTQLQIEISA-N 1 2 379.404 2.079 20 0 GEADLO O=C(NC[C@@H]1CCC[N@@H+](Cc2ncc(C3OCCO3)s2)C1)C(F)(F)F ZINC000291690273 532907058 /nfs/dbraw/zinc/90/70/58/532907058.db2.gz YAEJITGEMKAWEK-JTQLQIEISA-N 1 2 379.404 2.079 20 0 GEADLO CS(=O)(=O)C[C@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000291707879 532907427 /nfs/dbraw/zinc/90/74/27/532907427.db2.gz GAPKYNUVVUDSHO-ZDUSSCGKSA-N 1 2 386.543 2.027 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(I)c[nH]1 ZINC000365304716 532909739 /nfs/dbraw/zinc/90/97/39/532909739.db2.gz LIYJAYJRWHLQRZ-UHFFFAOYSA-N 1 2 384.221 2.424 20 0 GEADLO CCC(CC)[C@H](C(=O)N1CCn2c(Br)cnc2C1)[NH+]1CCOCC1 ZINC000364850755 532908532 /nfs/dbraw/zinc/90/85/32/532908532.db2.gz OERPHWRABKTJAD-MRXNPFEDSA-N 1 2 399.333 2.125 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000292008146 532911838 /nfs/dbraw/zinc/91/18/38/532911838.db2.gz XQTZLZKVXYUJOV-JTQLQIEISA-N 1 2 397.285 2.419 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000292008146 532911839 /nfs/dbraw/zinc/91/18/39/532911839.db2.gz XQTZLZKVXYUJOV-JTQLQIEISA-N 1 2 397.285 2.419 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000292028270 532911858 /nfs/dbraw/zinc/91/18/58/532911858.db2.gz WJGLPTBHJRPGHA-NSHDSACASA-N 1 2 380.242 2.498 20 0 GEADLO C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1nc(C(F)(F)F)cs1 ZINC000366269717 532915797 /nfs/dbraw/zinc/91/57/97/532915797.db2.gz DGTNYUZXCDGEFB-KOLCDFICSA-N 1 2 378.420 2.385 20 0 GEADLO C[C@@H](NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1nc(C(F)(F)F)cs1 ZINC000366269717 532915798 /nfs/dbraw/zinc/91/57/98/532915798.db2.gz DGTNYUZXCDGEFB-KOLCDFICSA-N 1 2 378.420 2.385 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000365986758 532913633 /nfs/dbraw/zinc/91/36/33/532913633.db2.gz GXQHSFDRLMPXDD-SWLSCSKDSA-N 1 2 390.285 2.227 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000365986758 532913634 /nfs/dbraw/zinc/91/36/34/532913634.db2.gz GXQHSFDRLMPXDD-SWLSCSKDSA-N 1 2 390.285 2.227 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000365986757 532913728 /nfs/dbraw/zinc/91/37/28/532913728.db2.gz GXQHSFDRLMPXDD-IUODEOHRSA-N 1 2 390.285 2.227 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000365986757 532913729 /nfs/dbraw/zinc/91/37/29/532913729.db2.gz GXQHSFDRLMPXDD-IUODEOHRSA-N 1 2 390.285 2.227 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000366577130 532919049 /nfs/dbraw/zinc/91/90/49/532919049.db2.gz HHJGQZNVGIOFJP-KGLIPLIRSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000366577130 532919050 /nfs/dbraw/zinc/91/90/50/532919050.db2.gz HHJGQZNVGIOFJP-KGLIPLIRSA-N 1 2 389.308 2.451 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000366328461 532916380 /nfs/dbraw/zinc/91/63/80/532916380.db2.gz LICHBDUHJIWPKV-BDAKNGLRSA-N 1 2 390.654 2.180 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000366328461 532916381 /nfs/dbraw/zinc/91/63/81/532916381.db2.gz LICHBDUHJIWPKV-BDAKNGLRSA-N 1 2 390.654 2.180 20 0 GEADLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cscc3Br)C2)CC1 ZINC000292716211 532917865 /nfs/dbraw/zinc/91/78/65/532917865.db2.gz MKMGIMVAQGKVFF-AWEZNQCLSA-N 1 2 386.359 2.292 20 0 GEADLO CC(C)(C)OC(=O)Nc1ncc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)s1 ZINC000292763243 532918129 /nfs/dbraw/zinc/91/81/29/532918129.db2.gz JSTDAKCBEOSBDO-NSHDSACASA-N 1 2 375.516 2.357 20 0 GEADLO CC(C)(C)OC(=O)Nc1ncc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)s1 ZINC000292763243 532918131 /nfs/dbraw/zinc/91/81/31/532918131.db2.gz JSTDAKCBEOSBDO-NSHDSACASA-N 1 2 375.516 2.357 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000366639883 532919596 /nfs/dbraw/zinc/91/95/96/532919596.db2.gz JMDZSCKIUCKSTG-BLLLJJGKSA-N 1 2 381.270 2.045 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000366639883 532919597 /nfs/dbraw/zinc/91/95/97/532919597.db2.gz JMDZSCKIUCKSTG-BLLLJJGKSA-N 1 2 381.270 2.045 20 0 GEADLO CCOC(=O)c1csc(C[NH2+][C@H](CC)c2cccc(S(N)(=O)=O)c2)n1 ZINC000292892914 532919782 /nfs/dbraw/zinc/91/97/82/532919782.db2.gz JLLXMRVFPDABGQ-CYBMUJFWSA-N 1 2 383.495 2.208 20 0 GEADLO CCOC(=O)c1csc(C[NH2+][C@@H](CC)c2cccc(S(N)(=O)=O)c2)n1 ZINC000292892927 532919798 /nfs/dbraw/zinc/91/97/98/532919798.db2.gz JLLXMRVFPDABGQ-ZDUSSCGKSA-N 1 2 383.495 2.208 20 0 GEADLO Cn1cc(Br)c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000293133749 532922321 /nfs/dbraw/zinc/92/23/21/532922321.db2.gz QQTUVRORBKSJJV-UHFFFAOYSA-N 1 2 393.285 2.019 20 0 GEADLO COc1cc[nH+]cc1CNS(=O)(=O)c1nc(C)c(Br)s1 ZINC000292989967 532920869 /nfs/dbraw/zinc/92/08/69/532920869.db2.gz MWCSLNXHJVJXCG-UHFFFAOYSA-N 1 2 378.273 2.096 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@@H]2N1 ZINC000366758067 532921007 /nfs/dbraw/zinc/92/10/07/532921007.db2.gz NVNOSAORQUXRFI-KBPBESRZSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@@H]2N1 ZINC000366758067 532921008 /nfs/dbraw/zinc/92/10/08/532921008.db2.gz NVNOSAORQUXRFI-KBPBESRZSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@H]2N1 ZINC000366775227 532921188 /nfs/dbraw/zinc/92/11/88/532921188.db2.gz MMIUVECZAVOJRZ-DGCLKSJQSA-N 1 2 391.212 2.140 20 0 GEADLO O=C1CO[C@@H]2CC[N@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@H]2N1 ZINC000366775227 532921189 /nfs/dbraw/zinc/92/11/89/532921189.db2.gz MMIUVECZAVOJRZ-DGCLKSJQSA-N 1 2 391.212 2.140 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000367198187 532923511 /nfs/dbraw/zinc/92/35/11/532923511.db2.gz ZGPLMLOOVBUHJL-KRWDZBQOSA-N 1 2 394.313 2.310 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000367214139 532923576 /nfs/dbraw/zinc/92/35/76/532923576.db2.gz RAJFWIWUPPUWPL-SWLSCSKDSA-N 1 2 390.285 2.227 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000367214139 532923578 /nfs/dbraw/zinc/92/35/78/532923578.db2.gz RAJFWIWUPPUWPL-SWLSCSKDSA-N 1 2 390.285 2.227 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000293268290 532924539 /nfs/dbraw/zinc/92/45/39/532924539.db2.gz JDKPOWFETBYJQW-WFASDCNBSA-N 1 2 376.316 2.239 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000293268290 532924540 /nfs/dbraw/zinc/92/45/40/532924540.db2.gz JDKPOWFETBYJQW-WFASDCNBSA-N 1 2 376.316 2.239 20 0 GEADLO Cc1nn(C)c(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1Br ZINC000367706277 532926650 /nfs/dbraw/zinc/92/66/50/532926650.db2.gz RXGKTYAXPYBLMT-UHFFFAOYSA-N 1 2 399.318 2.193 20 0 GEADLO Cc1nc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000367746442 532927134 /nfs/dbraw/zinc/92/71/34/532927134.db2.gz GLNKSTPCMDCARG-GUTXKFCHSA-N 1 2 387.933 2.306 20 0 GEADLO Cc1nc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000367746442 532927135 /nfs/dbraw/zinc/92/71/35/532927135.db2.gz GLNKSTPCMDCARG-GUTXKFCHSA-N 1 2 387.933 2.306 20 0 GEADLO CS(=O)(=O)c1ccc([C@@H](O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000367872100 532928107 /nfs/dbraw/zinc/92/81/07/532928107.db2.gz WZEVWWFXLRNYMG-KRWDZBQOSA-N 1 2 383.901 2.311 20 0 GEADLO C[C@H](O)c1ncc(C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)s1 ZINC000368018485 532929570 /nfs/dbraw/zinc/92/95/70/532929570.db2.gz JKBMMKZNCLTCKG-ZDUSSCGKSA-N 1 2 381.523 2.139 20 0 GEADLO OCc1cn([C@H]2CCC[N@H+](Cc3cccc(I)c3)C2)nn1 ZINC000293644873 532929765 /nfs/dbraw/zinc/92/97/65/532929765.db2.gz MMWMXHGHXAOJLU-HNNXBMFYSA-N 1 2 398.248 2.212 20 0 GEADLO OCc1cn([C@H]2CCC[N@@H+](Cc3cccc(I)c3)C2)nn1 ZINC000293644873 532929766 /nfs/dbraw/zinc/92/97/66/532929766.db2.gz MMWMXHGHXAOJLU-HNNXBMFYSA-N 1 2 398.248 2.212 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(OC(F)F)c1 ZINC000368042749 532929973 /nfs/dbraw/zinc/92/99/73/532929973.db2.gz OFNDYFZGWSCKIG-CQSZACIVSA-N 1 2 378.441 2.152 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(OC(F)F)c1 ZINC000368042749 532929975 /nfs/dbraw/zinc/92/99/75/532929975.db2.gz OFNDYFZGWSCKIG-CQSZACIVSA-N 1 2 378.441 2.152 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3ncc(CSC)s3)C2)cc1 ZINC000293738107 532931028 /nfs/dbraw/zinc/93/10/28/532931028.db2.gz WXWFXKABQCWQJS-UHFFFAOYSA-N 1 2 399.563 2.177 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(Br)cc3F)C2)nn1 ZINC000368854899 532934872 /nfs/dbraw/zinc/93/48/72/532934872.db2.gz PVAJOIFDZKVOMY-LBPRGKRZSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(Br)cc3F)C2)nn1 ZINC000368854899 532934873 /nfs/dbraw/zinc/93/48/73/532934873.db2.gz PVAJOIFDZKVOMY-LBPRGKRZSA-N 1 2 383.221 2.413 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C[C@H](C)[N@H+]1C ZINC000294044349 532935064 /nfs/dbraw/zinc/93/50/64/532935064.db2.gz SVPZTPHGFAWPHG-PHIMTYICSA-N 1 2 389.315 2.017 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C[C@H](C)[N@@H+]1C ZINC000294044349 532935065 /nfs/dbraw/zinc/93/50/65/532935065.db2.gz SVPZTPHGFAWPHG-PHIMTYICSA-N 1 2 389.315 2.017 20 0 GEADLO O=C(NCc1ccc(F)c(Cl)c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000368876919 532935225 /nfs/dbraw/zinc/93/52/25/532935225.db2.gz NCRDZBSRTJZLKW-QGZVFWFLSA-N 1 2 387.908 2.486 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000293961480 532933907 /nfs/dbraw/zinc/93/39/07/532933907.db2.gz HFBBHBXKNQUAKY-UHFFFAOYSA-N 1 2 376.259 2.417 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000293961480 532933908 /nfs/dbraw/zinc/93/39/08/532933908.db2.gz HFBBHBXKNQUAKY-UHFFFAOYSA-N 1 2 376.259 2.417 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cc(N(C)C)c1 ZINC000294298694 532937660 /nfs/dbraw/zinc/93/76/60/532937660.db2.gz QRROMQGHFXEOAI-GUYCJALGSA-N 1 2 396.329 2.450 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368965036 532935954 /nfs/dbraw/zinc/93/59/54/532935954.db2.gz JABFDUPSEDSJGZ-GHJWDPDVSA-N 1 2 380.286 2.282 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368965036 532935955 /nfs/dbraw/zinc/93/59/55/532935955.db2.gz JABFDUPSEDSJGZ-GHJWDPDVSA-N 1 2 380.286 2.282 20 0 GEADLO NC(=O)c1ccc(C[NH+]2CCC(O)(c3scnc3Br)CC2)cc1 ZINC000369704873 532940433 /nfs/dbraw/zinc/94/04/33/532940433.db2.gz SIVNIGMAXJDNGY-UHFFFAOYSA-N 1 2 396.310 2.488 20 0 GEADLO O=C1C[C@]2(CC[N@@H+](Cc3ncc(Br)cc3Br)C2)CN1 ZINC000369304714 532938083 /nfs/dbraw/zinc/93/80/83/532938083.db2.gz FLVYJFREVWQVGJ-CYBMUJFWSA-N 1 2 389.091 2.319 20 0 GEADLO O=C1C[C@]2(CC[N@H+](Cc3ncc(Br)cc3Br)C2)CN1 ZINC000369304714 532938085 /nfs/dbraw/zinc/93/80/85/532938085.db2.gz FLVYJFREVWQVGJ-CYBMUJFWSA-N 1 2 389.091 2.319 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cnn3cc(Br)cnc23)C1 ZINC000369367016 532938874 /nfs/dbraw/zinc/93/88/74/532938874.db2.gz VGCCJOMZQAPEBY-NSHDSACASA-N 1 2 389.257 2.245 20 0 GEADLO O=S(=O)(Nc1cnn(C2CC[NH+](C[C@@H]3CCSC3)CC2)c1)C(F)F ZINC000369490752 532939705 /nfs/dbraw/zinc/93/97/05/532939705.db2.gz CHACKNHHDCJAHB-NSHDSACASA-N 1 2 380.486 2.237 20 0 GEADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000370343561 532942931 /nfs/dbraw/zinc/94/29/31/532942931.db2.gz PISSSXWKXBYVRQ-SNVBAGLBSA-N 1 2 378.226 2.231 20 0 GEADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000370343561 532942932 /nfs/dbraw/zinc/94/29/32/532942932.db2.gz PISSSXWKXBYVRQ-SNVBAGLBSA-N 1 2 378.226 2.231 20 0 GEADLO COc1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1I ZINC000371352668 532947674 /nfs/dbraw/zinc/94/76/74/532947674.db2.gz GQAQOIXMAVQGCG-JTQLQIEISA-N 1 2 397.216 2.310 20 0 GEADLO COc1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1I ZINC000371352668 532947675 /nfs/dbraw/zinc/94/76/75/532947675.db2.gz GQAQOIXMAVQGCG-JTQLQIEISA-N 1 2 397.216 2.310 20 0 GEADLO O=C1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1CCc1ccccc1F ZINC000108262070 136191915 /nfs/dbraw/zinc/19/19/15/136191915.db2.gz MDGXXKBUPSJJOZ-HXUWFJFHSA-N 1 2 381.451 2.318 20 0 GEADLO CCn1cc(C2CC[NH+]([C@H](C(=O)OC)c3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000736722088 598860896 /nfs/dbraw/zinc/86/08/96/598860896.db2.gz MYYPWMSYTNULPQ-SFHVURJKSA-N 1 2 395.467 2.177 20 0 GEADLO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738191628 598999890 /nfs/dbraw/zinc/99/98/90/598999890.db2.gz SOAHGHBBOMDGML-UHFFFAOYSA-N 1 2 381.465 2.063 20 0 GEADLO Cc1sc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(-c2nn[nH]n2)c1C ZINC000737561498 599035905 /nfs/dbraw/zinc/03/59/05/599035905.db2.gz ILEKNFVIIDTCHE-OAHLLOKOSA-N 1 2 398.492 2.385 20 0 GEADLO Cc1sc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(-c2nn[nH]n2)c1C ZINC000737561498 599035908 /nfs/dbraw/zinc/03/59/08/599035908.db2.gz ILEKNFVIIDTCHE-OAHLLOKOSA-N 1 2 398.492 2.385 20 0 GEADLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1cccc(-c2nn[nH]n2)c1 ZINC000737817521 599059229 /nfs/dbraw/zinc/05/92/29/599059229.db2.gz AZEUACFAIPIBPQ-LJQANCHMSA-N 1 2 393.447 2.201 20 0 GEADLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1cccc(-c2nn[nH]n2)c1 ZINC000737817521 599059231 /nfs/dbraw/zinc/05/92/31/599059231.db2.gz AZEUACFAIPIBPQ-LJQANCHMSA-N 1 2 393.447 2.201 20 0 GEADLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(OC(F)F)cc1 ZINC000736125512 599088722 /nfs/dbraw/zinc/08/87/22/599088722.db2.gz KMBJYUUHNWVBQS-BMIGLBTASA-N 1 2 388.378 2.345 20 0 GEADLO NC(=O)[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737738035 599090015 /nfs/dbraw/zinc/09/00/15/599090015.db2.gz UHPRXNHBVBGRGP-AWEZNQCLSA-N 1 2 376.342 2.202 20 0 GEADLO NC(=O)[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736617 599092247 /nfs/dbraw/zinc/09/22/47/599092247.db2.gz JSURWRIHLPNHFG-AWEZNQCLSA-N 1 2 394.332 2.341 20 0 GEADLO Fc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000737638362 599140191 /nfs/dbraw/zinc/14/01/91/599140191.db2.gz GMNZWAYGGWFPPE-UHFFFAOYSA-N 1 2 396.455 2.333 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CCN1C(=O)OC(C)(C)C ZINC000736287790 599141498 /nfs/dbraw/zinc/14/14/98/599141498.db2.gz FNRNZUGTVJLMFK-LBPRGKRZSA-N 1 2 376.436 2.447 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CCN1C(=O)OC(C)(C)C ZINC000736287790 599141499 /nfs/dbraw/zinc/14/14/99/599141499.db2.gz FNRNZUGTVJLMFK-LBPRGKRZSA-N 1 2 376.436 2.447 20 0 GEADLO Cc1cc(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)nc(C2CC2)[nH+]1 ZINC000737272999 599169317 /nfs/dbraw/zinc/16/93/17/599169317.db2.gz XULRZFCEWHRNFS-UHFFFAOYSA-N 1 2 393.455 2.035 20 0 GEADLO C[C@H](NC(=O)CNc1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820328113 599206088 /nfs/dbraw/zinc/20/60/88/599206088.db2.gz MMONISCJGSLHQO-AWEZNQCLSA-N 1 2 388.435 2.342 20 0 GEADLO Cc1c(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cccc1-c1nn[nH]n1 ZINC000822090569 607292531 /nfs/dbraw/zinc/29/25/31/607292531.db2.gz KXNQQCHOGQOUSE-UHFFFAOYSA-N 1 2 378.440 2.361 20 0 GEADLO Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000822693894 607305568 /nfs/dbraw/zinc/30/55/68/607305568.db2.gz NIZFBABJNYRRSP-UGSOOPFHSA-N 1 2 390.451 2.098 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738095571 599273931 /nfs/dbraw/zinc/27/39/31/599273931.db2.gz ZXDDVQYFXWWBPG-UHFFFAOYSA-N 1 2 375.392 2.355 20 0 GEADLO O[C@@H](C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1cc(F)ccc1F ZINC000738379500 598251929 /nfs/dbraw/zinc/25/19/29/598251929.db2.gz AHVNZFWVMKROAN-SFHVURJKSA-N 1 2 386.406 2.001 20 0 GEADLO C[N@@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@@H]1OCCc2ccccc21 ZINC000736787612 598258144 /nfs/dbraw/zinc/25/81/44/598258144.db2.gz LFXUHCUZCHWZPM-SFHVURJKSA-N 1 2 378.436 2.051 20 0 GEADLO C[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@@H]1OCCc2ccccc21 ZINC000736787612 598258145 /nfs/dbraw/zinc/25/81/45/598258145.db2.gz LFXUHCUZCHWZPM-SFHVURJKSA-N 1 2 378.436 2.051 20 0 GEADLO O=C(c1cccc(F)c1F)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738273789 598330710 /nfs/dbraw/zinc/33/07/10/598330710.db2.gz MZMFHDMARWJVRQ-UHFFFAOYSA-N 1 2 384.390 2.103 20 0 GEADLO C[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736822459 598369202 /nfs/dbraw/zinc/36/92/02/598369202.db2.gz OTGOAKHKXLJJRN-UHFFFAOYSA-N 1 2 391.391 2.277 20 0 GEADLO C[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736822459 598369203 /nfs/dbraw/zinc/36/92/03/598369203.db2.gz OTGOAKHKXLJJRN-UHFFFAOYSA-N 1 2 391.391 2.277 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737551193 598374496 /nfs/dbraw/zinc/37/44/96/598374496.db2.gz GQJXWYBDKVZCFK-OAHLLOKOSA-N 1 2 381.440 2.201 20 0 GEADLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737551193 598374498 /nfs/dbraw/zinc/37/44/98/598374498.db2.gz GQJXWYBDKVZCFK-OAHLLOKOSA-N 1 2 381.440 2.201 20 0 GEADLO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)C2 ZINC000735940017 598374800 /nfs/dbraw/zinc/37/48/00/598374800.db2.gz OVQABXVWACWATB-CYBMUJFWSA-N 1 2 394.483 2.109 20 0 GEADLO Clc1cc(-c2nn[nH]n2)cnc1NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000737557523 598390476 /nfs/dbraw/zinc/39/04/76/598390476.db2.gz FQNVTWFCGGHKLU-UHFFFAOYSA-N 1 2 384.875 2.149 20 0 GEADLO Clc1cc(-c2nn[nH]n2)cnc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000737559450 598391694 /nfs/dbraw/zinc/39/16/94/598391694.db2.gz YEOFFVVDLCGTAT-UHFFFAOYSA-N 1 2 385.859 2.359 20 0 GEADLO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000736804158 598505728 /nfs/dbraw/zinc/50/57/28/598505728.db2.gz IPQZCXFIKCJVSW-UHFFFAOYSA-N 1 2 383.437 2.088 20 0 GEADLO C[N@@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000736804158 598505730 /nfs/dbraw/zinc/50/57/30/598505730.db2.gz IPQZCXFIKCJVSW-UHFFFAOYSA-N 1 2 383.437 2.088 20 0 GEADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000738234815 598595616 /nfs/dbraw/zinc/59/56/16/598595616.db2.gz MUUHHPVRSUXADW-IBGZPJMESA-N 1 2 393.447 2.453 20 0 GEADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000738234815 598595617 /nfs/dbraw/zinc/59/56/17/598595617.db2.gz MUUHHPVRSUXADW-IBGZPJMESA-N 1 2 393.447 2.453 20 0 GEADLO C[C@@H](c1ccncc1)[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000736204038 598620869 /nfs/dbraw/zinc/62/08/69/598620869.db2.gz QDIXTNLAJBBIRW-ZDUSSCGKSA-N 1 2 392.423 2.393 20 0 GEADLO CC(C)[N@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735859265 598621307 /nfs/dbraw/zinc/62/13/07/598621307.db2.gz QFKPHLOGRDVIAO-UHFFFAOYSA-N 1 2 398.492 2.138 20 0 GEADLO CC(C)[N@@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735859265 598621309 /nfs/dbraw/zinc/62/13/09/598621309.db2.gz QFKPHLOGRDVIAO-UHFFFAOYSA-N 1 2 398.492 2.138 20 0 GEADLO Clc1cccc(-c2nn[nH]n2)c1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000737573921 598635326 /nfs/dbraw/zinc/63/53/26/598635326.db2.gz GZSMKOBVSQJDHL-MRXNPFEDSA-N 1 2 380.905 2.140 20 0 GEADLO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1nc(-c2cccs2)no1 ZINC000736800803 598705131 /nfs/dbraw/zinc/70/51/31/598705131.db2.gz BBHNUBKXVBQIJW-UHFFFAOYSA-N 1 2 383.437 2.489 20 0 GEADLO C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1nc(-c2cccs2)no1 ZINC000736800803 598705132 /nfs/dbraw/zinc/70/51/32/598705132.db2.gz BBHNUBKXVBQIJW-UHFFFAOYSA-N 1 2 383.437 2.489 20 0 GEADLO CSc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000737192667 598766385 /nfs/dbraw/zinc/76/63/85/598766385.db2.gz KYEBPGNLTXUZKE-UHFFFAOYSA-N 1 2 384.465 2.140 20 0 GEADLO COC(=O)c1occc1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736958097 598766988 /nfs/dbraw/zinc/76/69/88/598766988.db2.gz ZIJQNLUOCKVOBC-UHFFFAOYSA-N 1 2 383.408 2.290 20 0 GEADLO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820451271 599374246 /nfs/dbraw/zinc/37/42/46/599374246.db2.gz ULWHXIUQVXPLBT-ZDUSSCGKSA-N 1 2 395.448 2.092 20 0 GEADLO NC(=O)[C@@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850739 599387348 /nfs/dbraw/zinc/38/73/48/599387348.db2.gz PIVXZPWTNYJMNA-IBGZPJMESA-N 1 2 385.431 2.245 20 0 GEADLO O=C(NCC1CC1)[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000823171072 599481740 /nfs/dbraw/zinc/48/17/40/599481740.db2.gz NXWZSOMHAXWMIA-AWEZNQCLSA-N 1 2 377.452 2.158 20 0 GEADLO CN(C[C@H]1CCCN1c1cccnn1)c1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000821596732 599531770 /nfs/dbraw/zinc/53/17/70/599531770.db2.gz SYMACESYEPWZOK-CQSZACIVSA-N 1 2 387.451 2.310 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCn2c(nnc2C(C)C)C1 ZINC000822337210 599536752 /nfs/dbraw/zinc/53/67/52/599536752.db2.gz VJFHPZZMQNDIJC-UHFFFAOYSA-N 1 2 375.440 2.458 20 0 GEADLO NC(=O)C1(c2ccccc2)CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822860399 599560864 /nfs/dbraw/zinc/56/08/64/599560864.db2.gz UCDPLKYTGJEVFB-UHFFFAOYSA-N 1 2 399.458 2.438 20 0 GEADLO CN(C)c1ccccc1C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821590713 599562526 /nfs/dbraw/zinc/56/25/26/599562526.db2.gz BWWYSMBTNKEZGO-UHFFFAOYSA-N 1 2 377.496 2.251 20 0 GEADLO CN(C)c1ccccc1CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821590713 599562528 /nfs/dbraw/zinc/56/25/28/599562528.db2.gz BWWYSMBTNKEZGO-UHFFFAOYSA-N 1 2 377.496 2.251 20 0 GEADLO C[N@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)[C@H](CO)c1ccccc1 ZINC000821618194 599571030 /nfs/dbraw/zinc/57/10/30/599571030.db2.gz USEGXIGLLRMNKY-MRXNPFEDSA-N 1 2 377.408 2.082 20 0 GEADLO C[N@@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)[C@H](CO)c1ccccc1 ZINC000821618194 599571032 /nfs/dbraw/zinc/57/10/32/599571032.db2.gz USEGXIGLLRMNKY-MRXNPFEDSA-N 1 2 377.408 2.082 20 0 GEADLO C[N@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)[C@H](CO)c1ccccc1 ZINC000821618285 599571519 /nfs/dbraw/zinc/57/15/19/599571519.db2.gz ZCHCXWSSMAVINC-MRXNPFEDSA-N 1 2 377.408 2.082 20 0 GEADLO C[N@@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)[C@H](CO)c1ccccc1 ZINC000821618285 599571521 /nfs/dbraw/zinc/57/15/21/599571521.db2.gz ZCHCXWSSMAVINC-MRXNPFEDSA-N 1 2 377.408 2.082 20 0 GEADLO Cc1[nH+]c2n(c1C)CCN(C(=O)CCCCOc1cccc(-c3nn[nH]n3)c1)C2 ZINC000737490856 599572570 /nfs/dbraw/zinc/57/25/70/599572570.db2.gz YHTVCYFBYZXQBM-UHFFFAOYSA-N 1 2 395.467 2.272 20 0 GEADLO Cc1[nH+]c2n(c1C)CCN(Cn1ccc(-c3ccc(-c4nn[nH]n4)cc3)n1)C2 ZINC000737490711 599578692 /nfs/dbraw/zinc/57/86/92/599578692.db2.gz VTNRMEZOXNBPPU-UHFFFAOYSA-N 1 2 375.440 2.017 20 0 GEADLO CCO[C@@H](C)c1noc(C[N@H+](C)CCCOc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821346657 599582906 /nfs/dbraw/zinc/58/29/06/599582906.db2.gz NKXQGBSGNDXPNL-ZDUSSCGKSA-N 1 2 387.444 2.248 20 0 GEADLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCCOc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821346657 599582907 /nfs/dbraw/zinc/58/29/07/599582907.db2.gz NKXQGBSGNDXPNL-ZDUSSCGKSA-N 1 2 387.444 2.248 20 0 GEADLO Cc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)o1 ZINC000822232983 599639603 /nfs/dbraw/zinc/63/96/03/599639603.db2.gz FXGHIKGALOOTKT-MRXNPFEDSA-N 1 2 382.424 2.170 20 0 GEADLO Cc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)o1 ZINC000822232983 599639604 /nfs/dbraw/zinc/63/96/04/599639604.db2.gz FXGHIKGALOOTKT-MRXNPFEDSA-N 1 2 382.424 2.170 20 0 GEADLO Cc1cc(Oc2ccc(-c3nn[nH]n3)cc2)ccc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000822211923 599697894 /nfs/dbraw/zinc/69/78/94/599697894.db2.gz UECNWFBOYSMMNH-GOSISDBHSA-N 1 2 394.435 2.237 20 0 GEADLO CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c3ccccc3)cc2)CC1 ZINC000737123004 599784490 /nfs/dbraw/zinc/78/44/90/599784490.db2.gz ORPZILXMWKDHEW-NRFANRHFSA-N 1 2 396.491 2.183 20 0 GEADLO NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCc1cc(C(=O)[O-])co1 ZINC000739184235 599855279 /nfs/dbraw/zinc/85/52/79/599855279.db2.gz PCIFGXBMIAPKBE-UHFFFAOYSA-N 1 2 386.452 2.184 20 0 GEADLO COc1ccc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1-c1nn[nH]n1 ZINC000826192958 607484912 /nfs/dbraw/zinc/48/49/12/607484912.db2.gz KDUITRBVCBPMSU-UHFFFAOYSA-N 1 2 377.408 2.156 20 0 GEADLO COc1ccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1-c1nn[nH]n1 ZINC000826192958 607484913 /nfs/dbraw/zinc/48/49/13/607484913.db2.gz KDUITRBVCBPMSU-UHFFFAOYSA-N 1 2 377.408 2.156 20 0 GEADLO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000830908459 601381173 /nfs/dbraw/zinc/38/11/73/601381173.db2.gz WGLXCYKLBZWBRS-MAUKXSAKSA-N 1 2 395.463 2.324 20 0 GEADLO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000830908459 601381176 /nfs/dbraw/zinc/38/11/76/601381176.db2.gz WGLXCYKLBZWBRS-MAUKXSAKSA-N 1 2 395.463 2.324 20 0 GEADLO C[C@H](C(=O)[O-])[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000826051930 601652103 /nfs/dbraw/zinc/65/21/03/601652103.db2.gz FIJFVAUJBJQMKU-UWJYYQICSA-N 1 2 396.491 2.172 20 0 GEADLO C[C@@H](C(=O)[O-])[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000826051929 601652106 /nfs/dbraw/zinc/65/21/06/601652106.db2.gz FIJFVAUJBJQMKU-UTKZUKDTSA-N 1 2 396.491 2.172 20 0 GEADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cc1-c1nn[nH]n1 ZINC000826193162 607520190 /nfs/dbraw/zinc/52/01/90/607520190.db2.gz RVZDHBVLPMEQMU-UHFFFAOYSA-N 1 2 388.378 2.224 20 0 GEADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cc1-c1nn[nH]n1 ZINC000826193162 607520191 /nfs/dbraw/zinc/52/01/91/607520191.db2.gz RVZDHBVLPMEQMU-UHFFFAOYSA-N 1 2 388.378 2.224 20 0 GEADLO COc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826195606 607522135 /nfs/dbraw/zinc/52/21/35/607522135.db2.gz ZUWGQCJEAIVWTH-CYBMUJFWSA-N 1 2 388.472 2.317 20 0 GEADLO COc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826195606 607522138 /nfs/dbraw/zinc/52/21/38/607522138.db2.gz ZUWGQCJEAIVWTH-CYBMUJFWSA-N 1 2 388.472 2.317 20 0 GEADLO COc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1-c1nn[nH]n1 ZINC000826201802 607532515 /nfs/dbraw/zinc/53/25/15/607532515.db2.gz DXQKWVVESLMGET-SFHVURJKSA-N 1 2 396.426 2.124 20 0 GEADLO CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000739687278 602494320 /nfs/dbraw/zinc/49/43/20/602494320.db2.gz DHDBJFODIXZOJS-UHFFFAOYSA-N 1 2 388.512 2.040 20 0 GEADLO CC[C@@H](SC)C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000825160288 607577675 /nfs/dbraw/zinc/57/76/75/607577675.db2.gz YTZDTFKUZIPLLF-MRXNPFEDSA-N 1 2 397.508 2.205 20 0 GEADLO C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC[C@@H](NC(=O)[O-])c3ccccc3)C2)CC1 ZINC000739731457 602716167 /nfs/dbraw/zinc/71/61/67/602716167.db2.gz KUNNUJBZIVQPMI-IEBWSBKVSA-N 1 2 388.512 2.060 20 0 GEADLO C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC[C@@H](NC(=O)[O-])c3ccccc3)C2)CC1 ZINC000739731457 602716169 /nfs/dbraw/zinc/71/61/69/602716169.db2.gz KUNNUJBZIVQPMI-IEBWSBKVSA-N 1 2 388.512 2.060 20 0 GEADLO O=C(OCc1ccnc(-c2nn[nH]n2)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000826467468 607609858 /nfs/dbraw/zinc/60/98/58/607609858.db2.gz XOASFAMLHFOWJQ-SFHVURJKSA-N 1 2 378.436 2.360 20 0 GEADLO O=C(OCc1ccnc(-c2nn[nH]n2)c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000826467468 607609860 /nfs/dbraw/zinc/60/98/60/607609860.db2.gz XOASFAMLHFOWJQ-SFHVURJKSA-N 1 2 378.436 2.360 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000826183578 607641265 /nfs/dbraw/zinc/64/12/65/607641265.db2.gz UCKSCOHWTNLIDW-OALUTQOASA-N 1 2 395.463 2.200 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000826183578 607641267 /nfs/dbraw/zinc/64/12/67/607641267.db2.gz UCKSCOHWTNLIDW-OALUTQOASA-N 1 2 395.463 2.200 20 0 GEADLO CCOc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cc1 ZINC000825638821 607642821 /nfs/dbraw/zinc/64/28/21/607642821.db2.gz PLKPWZGTOBOTSE-UHFFFAOYSA-N 1 2 395.467 2.453 20 0 GEADLO COc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1 ZINC000826216304 607643061 /nfs/dbraw/zinc/64/30/61/607643061.db2.gz RXTYDADBYNONFI-UHFFFAOYSA-N 1 2 381.440 2.063 20 0 GEADLO O=C([O-])N1CCc2cccc(C[NH2+]C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c21 ZINC000832086193 603850922 /nfs/dbraw/zinc/85/09/22/603850922.db2.gz BUVMUGMDYXRPHT-HXUWFJFHSA-N 1 2 381.476 2.236 20 0 GEADLO O=C([O-])N1CCc2cccc(C[NH2+]C[C@@H](O)C[N@H+]3CCc4ccccc4C3)c21 ZINC000832086193 603850925 /nfs/dbraw/zinc/85/09/25/603850925.db2.gz BUVMUGMDYXRPHT-HXUWFJFHSA-N 1 2 381.476 2.236 20 0 GEADLO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc3c2N(C(=O)[O-])CC3)nc[nH+]1 ZINC000828593655 603859847 /nfs/dbraw/zinc/85/98/47/603859847.db2.gz FPZVXOGHGJZXAE-INIZCTEOSA-N 1 2 382.468 2.317 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000826249957 607663655 /nfs/dbraw/zinc/66/36/55/607663655.db2.gz CTLAAAHFFVNAGL-UHFFFAOYSA-N 1 2 391.479 2.175 20 0 GEADLO COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000833702558 604475714 /nfs/dbraw/zinc/47/57/14/604475714.db2.gz VCLOBRNQTHQKAR-LJQANCHMSA-N 1 2 390.480 2.033 20 0 GEADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H](C)O1 ZINC000824992051 607699338 /nfs/dbraw/zinc/69/93/38/607699338.db2.gz JFWCNWZYKASJRQ-STQMWFEESA-N 1 2 381.440 2.056 20 0 GEADLO C[C@@H](Oc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833540509 605112432 /nfs/dbraw/zinc/11/24/32/605112432.db2.gz LJZMRUYRJDSMPF-VGOFRKELSA-N 1 2 384.476 2.265 20 0 GEADLO C[C@@H](Oc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833540509 605112435 /nfs/dbraw/zinc/11/24/35/605112435.db2.gz LJZMRUYRJDSMPF-VGOFRKELSA-N 1 2 384.476 2.265 20 0 GEADLO O=C([O-])CCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000833773084 605228087 /nfs/dbraw/zinc/22/80/87/605228087.db2.gz IBYAASWNMPMWNC-QGZVFWFLSA-N 1 2 377.460 2.240 20 0 GEADLO C[C@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000833817268 605678066 /nfs/dbraw/zinc/67/80/66/605678066.db2.gz HFZMQSWOBLJXET-JXFKEZNVSA-N 1 2 390.528 2.074 20 0 GEADLO C[C@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000833817268 605678071 /nfs/dbraw/zinc/67/80/71/605678071.db2.gz HFZMQSWOBLJXET-JXFKEZNVSA-N 1 2 390.528 2.074 20 0 GEADLO O=C([O-])N1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000834108523 606035809 /nfs/dbraw/zinc/03/58/09/606035809.db2.gz VJMHOOUYJHCWAA-SFHVURJKSA-N 1 2 377.485 2.020 20 0 GEADLO Cc1cc(N2CCC(Nc3snc(Cl)c3-c3nn[nH]n3)CC2)nc(C)[nH+]1 ZINC000822207295 606102448 /nfs/dbraw/zinc/10/24/48/606102448.db2.gz QRVJFTONQDYLLU-UHFFFAOYSA-N 1 2 391.892 2.464 20 0 GEADLO Cc1cccn2cc(CCNC(=O)Nc3ccc(F)c(-c4nn[nH]n4)c3)[nH+]c12 ZINC000822366176 606116557 /nfs/dbraw/zinc/11/65/57/606116557.db2.gz FKNBOPORDFNDOO-UHFFFAOYSA-N 1 2 380.387 2.326 20 0 GEADLO CN1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@@H](c2ccccc2)C1 ZINC000821627359 606157973 /nfs/dbraw/zinc/15/79/73/606157973.db2.gz YGHBEWRCAIZOHL-MRXNPFEDSA-N 1 2 397.508 2.246 20 0 GEADLO CN1CC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@@H](c2ccccc2)C1 ZINC000821627359 606157975 /nfs/dbraw/zinc/15/79/75/606157975.db2.gz YGHBEWRCAIZOHL-MRXNPFEDSA-N 1 2 397.508 2.246 20 0 GEADLO Cc1cccn2cc(CCNC(=S)Nc3ccccc3-c3nn[nH]n3)[nH+]c12 ZINC000822366665 606167836 /nfs/dbraw/zinc/16/78/36/606167836.db2.gz RRMWSQRAZAEGGM-UHFFFAOYSA-N 1 2 378.465 2.352 20 0 GEADLO C[N@H+](CC(=O)NC(=O)NC1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000445885856 649965404 /nfs/dbraw/zinc/96/54/04/649965404.db2.gz MLVZVYFTSQMJPE-ZDUSSCGKSA-N 1 2 382.258 2.193 20 0 GEADLO C[N@@H+](CC(=O)NC(=O)NC1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000445885856 649965412 /nfs/dbraw/zinc/96/54/12/649965412.db2.gz MLVZVYFTSQMJPE-ZDUSSCGKSA-N 1 2 382.258 2.193 20 0 GEADLO C[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820486918 606358651 /nfs/dbraw/zinc/35/86/51/606358651.db2.gz DNAYAFAQMKLFHT-HNAYVOBHSA-N 1 2 393.447 2.372 20 0 GEADLO C[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820486918 606358652 /nfs/dbraw/zinc/35/86/52/606358652.db2.gz DNAYAFAQMKLFHT-HNAYVOBHSA-N 1 2 393.447 2.372 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000821702105 606455378 /nfs/dbraw/zinc/45/53/78/606455378.db2.gz HPNDOABCDCBKEX-SFHVURJKSA-N 1 2 395.463 2.198 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000821702105 606455379 /nfs/dbraw/zinc/45/53/79/606455379.db2.gz HPNDOABCDCBKEX-SFHVURJKSA-N 1 2 395.463 2.198 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562672 606528287 /nfs/dbraw/zinc/52/82/87/606528287.db2.gz VRJHOSINPPXURN-JKSUJKDBSA-N 1 2 393.538 2.000 20 0 GEADLO O=S(=O)(CC[N@H+]1CCS[C@@H]2CCCC[C@@H]21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562672 606528288 /nfs/dbraw/zinc/52/82/88/606528288.db2.gz VRJHOSINPPXURN-JKSUJKDBSA-N 1 2 393.538 2.000 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000819875634 606622887 /nfs/dbraw/zinc/62/28/87/606622887.db2.gz APAUDDUJSCDDNU-DBDZUICISA-N 1 2 398.492 2.063 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000819875634 606622889 /nfs/dbraw/zinc/62/28/89/606622889.db2.gz APAUDDUJSCDDNU-DBDZUICISA-N 1 2 398.492 2.063 20 0 GEADLO O=C1[C@H]2CCCCC[C@@H]2N1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823521327 606632603 /nfs/dbraw/zinc/63/26/03/606632603.db2.gz VETBCJRAPFGJET-OALUTQOASA-N 1 2 396.495 2.459 20 0 GEADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823261563 606695228 /nfs/dbraw/zinc/69/52/28/606695228.db2.gz NVQRPDBBOBVUNE-UHFFFAOYSA-N 1 2 381.346 2.261 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822992118 606815050 /nfs/dbraw/zinc/81/50/50/606815050.db2.gz ISJDXWKEPLODER-CQSZACIVSA-N 1 2 399.842 2.007 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](Oc2cccnc2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822992118 606815052 /nfs/dbraw/zinc/81/50/52/606815052.db2.gz ISJDXWKEPLODER-CQSZACIVSA-N 1 2 399.842 2.007 20 0 GEADLO O[C@@H](CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681931 606844698 /nfs/dbraw/zinc/84/46/98/606844698.db2.gz LLOROSYWCPHVDP-XBGMYJNYSA-N 1 2 390.491 2.231 20 0 GEADLO C[N@@H+](Cc1nccn1Cc1ccccc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821618192 606905116 /nfs/dbraw/zinc/90/51/16/606905116.db2.gz UPZGRPYLJXHUIG-LJQANCHMSA-N 1 2 389.463 2.277 20 0 GEADLO C[N@H+](Cc1nccn1Cc1ccccc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821618192 606905118 /nfs/dbraw/zinc/90/51/18/606905118.db2.gz UPZGRPYLJXHUIG-LJQANCHMSA-N 1 2 389.463 2.277 20 0 GEADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000823673734 606915703 /nfs/dbraw/zinc/91/57/03/606915703.db2.gz MZGDNZZWFDYBOA-MJGOQNOKSA-N 1 2 383.427 2.330 20 0 GEADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000823673734 606915704 /nfs/dbraw/zinc/91/57/04/606915704.db2.gz MZGDNZZWFDYBOA-MJGOQNOKSA-N 1 2 383.427 2.330 20 0 GEADLO Fc1cccc(C[NH+]2CCN(c3snc(Cl)c3-c3nn[nH]n3)CC2)c1 ZINC000822787009 607037108 /nfs/dbraw/zinc/03/71/08/607037108.db2.gz RWYSALUIBAYCAX-UHFFFAOYSA-N 1 2 379.852 2.438 20 0 GEADLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821593969 607062488 /nfs/dbraw/zinc/06/24/88/607062488.db2.gz RVOUDMZSVWAACW-UHFFFAOYSA-N 1 2 376.342 2.355 20 0 GEADLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821593969 607062489 /nfs/dbraw/zinc/06/24/89/607062489.db2.gz RVOUDMZSVWAACW-UHFFFAOYSA-N 1 2 376.342 2.355 20 0 GEADLO O=C(N[C@H]1CC2CCC1CC2)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823144719 607215012 /nfs/dbraw/zinc/21/50/12/607215012.db2.gz KRRDUBBLNPCNIP-KVWWFHCMSA-N 1 2 395.511 2.273 20 0 GEADLO C[N@H+](CCc1nccs1)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000825950959 607802393 /nfs/dbraw/zinc/80/23/93/607802393.db2.gz YAHWJCKHEWYGLK-UHFFFAOYSA-N 1 2 377.861 2.090 20 0 GEADLO C[N@@H+](CCc1nccs1)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000825950959 607802394 /nfs/dbraw/zinc/80/23/94/607802394.db2.gz YAHWJCKHEWYGLK-UHFFFAOYSA-N 1 2 377.861 2.090 20 0 GEADLO Cc1cnc(CC[N@@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)s1 ZINC000826318303 607858051 /nfs/dbraw/zinc/85/80/51/607858051.db2.gz CQCVNHTWSSEUAI-UHFFFAOYSA-N 1 2 391.888 2.398 20 0 GEADLO Cc1cnc(CC[N@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)s1 ZINC000826318303 607858052 /nfs/dbraw/zinc/85/80/52/607858052.db2.gz CQCVNHTWSSEUAI-UHFFFAOYSA-N 1 2 391.888 2.398 20 0 GEADLO COc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000826195276 608064588 /nfs/dbraw/zinc/06/45/88/608064588.db2.gz NOKSREOWJFFYKO-ZDUSSCGKSA-N 1 2 388.472 2.317 20 0 GEADLO COc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000826195276 608064589 /nfs/dbraw/zinc/06/45/89/608064589.db2.gz NOKSREOWJFFYKO-ZDUSSCGKSA-N 1 2 388.472 2.317 20 0 GEADLO COc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000826195275 608065504 /nfs/dbraw/zinc/06/55/04/608065504.db2.gz NOKSREOWJFFYKO-CYBMUJFWSA-N 1 2 388.472 2.317 20 0 GEADLO COc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000826195275 608065505 /nfs/dbraw/zinc/06/55/05/608065505.db2.gz NOKSREOWJFFYKO-CYBMUJFWSA-N 1 2 388.472 2.317 20 0 GEADLO O[C@H](C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)c(F)c1 ZINC000826503458 608066696 /nfs/dbraw/zinc/06/66/96/608066696.db2.gz YAYJUJBBRPKDCU-MSOLQXFVSA-N 1 2 387.390 2.252 20 0 GEADLO O[C@H](C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)c(F)c1 ZINC000826503458 608066697 /nfs/dbraw/zinc/06/66/97/608066697.db2.gz YAYJUJBBRPKDCU-MSOLQXFVSA-N 1 2 387.390 2.252 20 0 GEADLO COc1ccc(COCC[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826206675 608068333 /nfs/dbraw/zinc/06/83/33/608068333.db2.gz GQSYINSIMAPMJI-HXUWFJFHSA-N 1 2 395.463 2.465 20 0 GEADLO COc1ccc(COCC[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826206675 608068334 /nfs/dbraw/zinc/06/83/34/608068334.db2.gz GQSYINSIMAPMJI-HXUWFJFHSA-N 1 2 395.463 2.465 20 0 GEADLO c1ccc2c(c1)OC[C@@H](C[N@@H+]1CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C1)O2 ZINC000826513888 608071261 /nfs/dbraw/zinc/07/12/61/608071261.db2.gz ZGCVDMKASFTOTA-VQIMIIECSA-N 1 2 379.420 2.080 20 0 GEADLO c1ccc2c(c1)OC[C@@H](C[N@H+]1CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C1)O2 ZINC000826513888 608071262 /nfs/dbraw/zinc/07/12/62/608071262.db2.gz ZGCVDMKASFTOTA-VQIMIIECSA-N 1 2 379.420 2.080 20 0 GEADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826456352 608073322 /nfs/dbraw/zinc/07/33/22/608073322.db2.gz ZSHUBOMEHBVJRM-INIZCTEOSA-N 1 2 390.407 2.120 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1Cl ZINC000826195456 608155119 /nfs/dbraw/zinc/15/51/19/608155119.db2.gz VDEUZENADQCGNW-UHFFFAOYSA-N 1 2 385.859 2.246 20 0 GEADLO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C(=O)OC)c1ccc(-c2nn[nH]n2)cc1 ZINC000825398884 608158018 /nfs/dbraw/zinc/15/80/18/608158018.db2.gz AFQNPWXKMKUFAN-MOPGFXCFSA-N 1 2 395.463 2.445 20 0 GEADLO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C(=O)OC)c1ccc(-c2nn[nH]n2)cc1 ZINC000825398884 608158019 /nfs/dbraw/zinc/15/80/19/608158019.db2.gz AFQNPWXKMKUFAN-MOPGFXCFSA-N 1 2 395.463 2.445 20 0 GEADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826321860 608259337 /nfs/dbraw/zinc/25/93/37/608259337.db2.gz SBIMMPKFMXNKEG-QGZVFWFLSA-N 1 2 383.456 2.049 20 0 GEADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826321860 608259338 /nfs/dbraw/zinc/25/93/38/608259338.db2.gz SBIMMPKFMXNKEG-QGZVFWFLSA-N 1 2 383.456 2.049 20 0 GEADLO Cc1ccc([C@H](CNc2nc(C)ccc2-c2nn[nH]n2)[NH+]2CCOCC2)cc1 ZINC000826284327 608277988 /nfs/dbraw/zinc/27/79/88/608277988.db2.gz QHEMWDCCXXHUAX-SFHVURJKSA-N 1 2 379.468 2.364 20 0 GEADLO C[C@@]1(O)CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000824844048 608305051 /nfs/dbraw/zinc/30/50/51/608305051.db2.gz NOWKZZVEWCBSPY-QGZVFWFLSA-N 1 2 376.367 2.368 20 0 GEADLO CC1(C)c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824816288 608330494 /nfs/dbraw/zinc/33/04/94/608330494.db2.gz ALDVYENUNORZAW-UHFFFAOYSA-N 1 2 397.504 2.434 20 0 GEADLO CC1(C)c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824816288 608330496 /nfs/dbraw/zinc/33/04/96/608330496.db2.gz ALDVYENUNORZAW-UHFFFAOYSA-N 1 2 397.504 2.434 20 0 GEADLO O=C1OCCN1c1cccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)c1 ZINC000826483616 608370417 /nfs/dbraw/zinc/37/04/17/608370417.db2.gz UBVIHNWGCMVPBE-UHFFFAOYSA-N 1 2 387.403 2.406 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826168074 608373412 /nfs/dbraw/zinc/37/34/12/608373412.db2.gz BAVRQMWOGOGUPJ-RHSMWYFYSA-N 1 2 387.390 2.461 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826168074 608373414 /nfs/dbraw/zinc/37/34/14/608373414.db2.gz BAVRQMWOGOGUPJ-RHSMWYFYSA-N 1 2 387.390 2.461 20 0 GEADLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)[nH]n1 ZINC000826265626 608384622 /nfs/dbraw/zinc/38/46/22/608384622.db2.gz HNBWSHMENQZBTF-CYBMUJFWSA-N 1 2 380.456 2.105 20 0 GEADLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)n[nH]1 ZINC000826265626 608384623 /nfs/dbraw/zinc/38/46/23/608384623.db2.gz HNBWSHMENQZBTF-CYBMUJFWSA-N 1 2 380.456 2.105 20 0 GEADLO C[C@H]([NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1ccc2c(c1)OCO2 ZINC000824633987 608430591 /nfs/dbraw/zinc/43/05/91/608430591.db2.gz SNKASNKBSHCWHR-NSHDSACASA-N 1 2 391.391 2.496 20 0 GEADLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(-c2nn[nH]n2)s1 ZINC000825395289 608497994 /nfs/dbraw/zinc/49/79/94/608497994.db2.gz NISFTNORPBWVIS-UHFFFAOYSA-N 1 2 399.480 2.347 20 0 GEADLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(-c2nn[nH]n2)s1 ZINC000825395289 608497996 /nfs/dbraw/zinc/49/79/96/608497996.db2.gz NISFTNORPBWVIS-UHFFFAOYSA-N 1 2 399.480 2.347 20 0 GEADLO Cc1[nH+]ccn1CCCCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000826232781 608630319 /nfs/dbraw/zinc/63/03/19/608630319.db2.gz IFOVPIQOYZZFLO-UHFFFAOYSA-N 1 2 399.455 2.045 20 0 GEADLO O=C(CCc1ccccc1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826409390 608637505 /nfs/dbraw/zinc/63/75/05/608637505.db2.gz WVMCKTARTLLTEU-UHFFFAOYSA-N 1 2 380.452 2.127 20 0 GEADLO O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826409390 608637507 /nfs/dbraw/zinc/63/75/07/608637507.db2.gz WVMCKTARTLLTEU-UHFFFAOYSA-N 1 2 380.452 2.127 20 0 GEADLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000824135994 608638684 /nfs/dbraw/zinc/63/86/84/608638684.db2.gz LLJKUXFIBDYSCF-UHFFFAOYSA-N 1 2 384.463 2.349 20 0 GEADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000825938687 608650555 /nfs/dbraw/zinc/65/05/55/608650555.db2.gz VYIDJNSLJCNEFU-UHFFFAOYSA-N 1 2 395.486 2.260 20 0 GEADLO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000825938687 608650556 /nfs/dbraw/zinc/65/05/56/608650556.db2.gz VYIDJNSLJCNEFU-UHFFFAOYSA-N 1 2 395.486 2.260 20 0 GEADLO C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000825938687 608650557 /nfs/dbraw/zinc/65/05/57/608650557.db2.gz VYIDJNSLJCNEFU-UHFFFAOYSA-N 1 2 395.486 2.260 20 0 GEADLO OCC[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000826509889 608700032 /nfs/dbraw/zinc/70/00/32/608700032.db2.gz OXEMDFXXXNHHBR-UHFFFAOYSA-N 1 2 395.492 2.168 20 0 GEADLO OCC[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000826509889 608700036 /nfs/dbraw/zinc/70/00/36/608700036.db2.gz OXEMDFXXXNHHBR-UHFFFAOYSA-N 1 2 395.492 2.168 20 0 GEADLO CC(C)Cc1ncc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)s1 ZINC000824280424 608837761 /nfs/dbraw/zinc/83/77/61/608837761.db2.gz MYBPWFSXWDMMJX-CYBMUJFWSA-N 1 2 399.528 2.022 20 0 GEADLO CC(C)Cc1ncc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)s1 ZINC000824280424 608837762 /nfs/dbraw/zinc/83/77/62/608837762.db2.gz MYBPWFSXWDMMJX-CYBMUJFWSA-N 1 2 399.528 2.022 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000825000885 608839007 /nfs/dbraw/zinc/83/90/07/608839007.db2.gz VSSHXOUNDGKTSO-LBPRGKRZSA-N 1 2 399.528 2.121 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000825000885 608839010 /nfs/dbraw/zinc/83/90/10/608839010.db2.gz VSSHXOUNDGKTSO-LBPRGKRZSA-N 1 2 399.528 2.121 20 0 GEADLO O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826506155 608852264 /nfs/dbraw/zinc/85/22/64/608852264.db2.gz NSTMKSRDEAHCRQ-PBHICJAKSA-N 1 2 397.389 2.101 20 0 GEADLO O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826506155 608852267 /nfs/dbraw/zinc/85/22/67/608852267.db2.gz NSTMKSRDEAHCRQ-PBHICJAKSA-N 1 2 397.389 2.101 20 0 GEADLO Cc1cccn2c(CN3CCO[C@H](c4cccc(-c5nn[nH]n5)c4)C3)c[nH+]c12 ZINC000826307953 608854617 /nfs/dbraw/zinc/85/46/17/608854617.db2.gz CMWYYQLVELCKNH-SFHVURJKSA-N 1 2 375.436 2.396 20 0 GEADLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(-c2nn[nH]n2)cc1Br ZINC000826033938 609346539 /nfs/dbraw/zinc/34/65/39/609346539.db2.gz LIVMOYYAMIFBLH-ZDUSSCGKSA-N 1 2 380.246 2.157 20 0 GEADLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(-c2nn[nH]n2)cc1Br ZINC000826033938 609346540 /nfs/dbraw/zinc/34/65/40/609346540.db2.gz LIVMOYYAMIFBLH-ZDUSSCGKSA-N 1 2 380.246 2.157 20 0 GEADLO O=C([C@@H](F)Cc1ccccc1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826397285 609365090 /nfs/dbraw/zinc/36/50/90/609365090.db2.gz ZSYJMVDQIIATPB-IBGZPJMESA-N 1 2 394.454 2.092 20 0 GEADLO O=C1OC2(CCCC2)CN1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826483509 609426610 /nfs/dbraw/zinc/42/66/10/609426610.db2.gz PRUQSOLUUVYYPI-UHFFFAOYSA-N 1 2 398.467 2.432 20 0 GEADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826306358 609427464 /nfs/dbraw/zinc/42/74/64/609427464.db2.gz XEFQJOZQVQUECC-INIZCTEOSA-N 1 2 377.408 2.048 20 0 GEADLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2nccc(C)c2-c2nn[nH]n2)cc1 ZINC000826284472 609524893 /nfs/dbraw/zinc/52/48/93/609524893.db2.gz UVIRHURMTWIGMV-KRWDZBQOSA-N 1 2 379.468 2.364 20 0 GEADLO Cc1cc(N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)nc(C2CC2)[nH+]1 ZINC000826271077 609575126 /nfs/dbraw/zinc/57/51/26/609575126.db2.gz BCADTAFZTNWEPR-MRXNPFEDSA-N 1 2 390.451 2.450 20 0 GEADLO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(Br)c(F)cc1O ZINC000448908586 650025318 /nfs/dbraw/zinc/02/53/18/650025318.db2.gz GRTXZODYUHMGOM-LLVKDONJSA-N 1 2 389.265 2.477 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccnc2c(Br)cccc12 ZINC000449035738 650030728 /nfs/dbraw/zinc/03/07/28/650030728.db2.gz PTGKGCCVQVWEBN-GFCCVEGCSA-N 1 2 384.299 2.250 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccnc2c(Br)cccc12 ZINC000449035738 650030730 /nfs/dbraw/zinc/03/07/30/650030730.db2.gz PTGKGCCVQVWEBN-GFCCVEGCSA-N 1 2 384.299 2.250 20 0 GEADLO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]CC(=O)N(C)C ZINC000449219735 650034728 /nfs/dbraw/zinc/03/47/28/650034728.db2.gz BGHRWZHQKYWHHV-UHFFFAOYSA-N 1 2 385.251 2.144 20 0 GEADLO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]Cc1nn(C)cc1Br ZINC000449483323 650041723 /nfs/dbraw/zinc/04/17/23/650041723.db2.gz IHKPJVBEAFULRU-CYBMUJFWSA-N 1 2 379.302 2.410 20 0 GEADLO Cc1ccc2[nH+]cc(CNCc3nn(C)cc3I)n2c1 ZINC000449606992 650044038 /nfs/dbraw/zinc/04/40/38/650044038.db2.gz UQAIZNDJQXVREP-UHFFFAOYSA-N 1 2 381.221 2.271 20 0 GEADLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000449746081 650048564 /nfs/dbraw/zinc/04/85/64/650048564.db2.gz QCHDWUFQBRPFLO-ZDUSSCGKSA-N 1 2 380.290 2.332 20 0 GEADLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000449746081 650048569 /nfs/dbraw/zinc/04/85/69/650048569.db2.gz QCHDWUFQBRPFLO-ZDUSSCGKSA-N 1 2 380.290 2.332 20 0 GEADLO CCCc1csc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)n1 ZINC000449752771 650048911 /nfs/dbraw/zinc/04/89/11/650048911.db2.gz GTZAOILKJLAJDE-UHFFFAOYSA-N 1 2 387.502 2.393 20 0 GEADLO CCCc1csc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)n1 ZINC000449752771 650048914 /nfs/dbraw/zinc/04/89/14/650048914.db2.gz GTZAOILKJLAJDE-UHFFFAOYSA-N 1 2 387.502 2.393 20 0 GEADLO CC[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@@H+]1C[C@H](C)O ZINC000450024910 650058382 /nfs/dbraw/zinc/05/83/82/650058382.db2.gz IQALLVWARPVZIO-WDEREUQCSA-N 1 2 389.265 2.211 20 0 GEADLO CC[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@H+]1C[C@H](C)O ZINC000450024910 650058386 /nfs/dbraw/zinc/05/83/86/650058386.db2.gz IQALLVWARPVZIO-WDEREUQCSA-N 1 2 389.265 2.211 20 0 GEADLO O=C(CCC[N@@H+]1CCO[C@@H](Cn2cncn2)C1)c1ccc(Br)cc1 ZINC000450378773 650064568 /nfs/dbraw/zinc/06/45/68/650064568.db2.gz NZBGPABKIMVKIP-MRXNPFEDSA-N 1 2 393.285 2.405 20 0 GEADLO O=C(CCC[N@H+]1CCO[C@@H](Cn2cncn2)C1)c1ccc(Br)cc1 ZINC000450378773 650064570 /nfs/dbraw/zinc/06/45/70/650064570.db2.gz NZBGPABKIMVKIP-MRXNPFEDSA-N 1 2 393.285 2.405 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450851882 650072900 /nfs/dbraw/zinc/07/29/00/650072900.db2.gz YKTUTARVXSWHPZ-OAHLLOKOSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450851882 650072901 /nfs/dbraw/zinc/07/29/01/650072901.db2.gz YKTUTARVXSWHPZ-OAHLLOKOSA-N 1 2 390.933 2.221 20 0 GEADLO C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000450960499 650076395 /nfs/dbraw/zinc/07/63/95/650076395.db2.gz MUKYDXIOLILCIY-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000450960499 650076397 /nfs/dbraw/zinc/07/63/97/650076397.db2.gz MUKYDXIOLILCIY-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)Cc1c(F)cccc1Cl)[NH+]1CCN(C)CC1 ZINC000451241210 650097410 /nfs/dbraw/zinc/09/74/10/650097410.db2.gz GAGSMSXXOBKPDU-KRWDZBQOSA-N 1 2 391.940 2.171 20 0 GEADLO COC(=O)[C@H]1Cc2c(Br)cccc2CN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000451276135 650100207 /nfs/dbraw/zinc/10/02/07/650100207.db2.gz JWHNXHMQUWEBIR-CXAGYDPISA-N 1 2 397.313 2.070 20 0 GEADLO COC(=O)[C@H]1Cc2c(Br)cccc2CN1CC[N@H+]1CCO[C@H](C)C1 ZINC000451276135 650100210 /nfs/dbraw/zinc/10/02/10/650100210.db2.gz JWHNXHMQUWEBIR-CXAGYDPISA-N 1 2 397.313 2.070 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@H](C)[N@H+]1CCO ZINC000451892695 650150539 /nfs/dbraw/zinc/15/05/39/650150539.db2.gz WAPDTUBTGIZXOD-TXEJJXNPSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@H](C)[N@@H+]1CCO ZINC000451892695 650150541 /nfs/dbraw/zinc/15/05/41/650150541.db2.gz WAPDTUBTGIZXOD-TXEJJXNPSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H](C(=O)N1CC[C@@H](c2cccc(Br)c2)C1)[NH+]1CCN(C)CC1 ZINC000452852051 650199392 /nfs/dbraw/zinc/19/93/92/650199392.db2.gz RZYKHSNTKAQLSR-GDBMZVCRSA-N 1 2 380.330 2.401 20 0 GEADLO Cc1cc(C)c(CNC(=O)C(=O)Nc2ccc(Br)c(C)n2)c[nH+]1 ZINC000454039726 650248283 /nfs/dbraw/zinc/24/82/83/650248283.db2.gz WFVXIMFTILVBKI-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO C[C@H](CNC(=O)NCCOc1ccc(Cl)c(Cl)c1)[NH+]1CCOCC1 ZINC000454243673 650260404 /nfs/dbraw/zinc/26/04/04/650260404.db2.gz INUKUVCHZLWXRH-GFCCVEGCSA-N 1 2 376.284 2.392 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000455201393 650294753 /nfs/dbraw/zinc/29/47/53/650294753.db2.gz LEDTYIIHHAREIR-DOMZBBRYSA-N 1 2 392.253 2.239 20 0 GEADLO O=C(NCc1cn2c([nH+]1)CCCC2)c1ccc(I)cn1 ZINC000455345775 650299697 /nfs/dbraw/zinc/29/96/97/650299697.db2.gz OJZNQLWFJVURCK-UHFFFAOYSA-N 1 2 382.205 2.149 20 0 GEADLO Cn1cc(Br)c(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000455366548 650300392 /nfs/dbraw/zinc/30/03/92/650300392.db2.gz BZRVIBXVPPIRLY-UHFFFAOYSA-N 1 2 398.330 2.272 20 0 GEADLO COc1cc(C)c(Br)cc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456204487 650333681 /nfs/dbraw/zinc/33/36/81/650333681.db2.gz LYNDHLJEJXMXAN-BETUJISGSA-N 1 2 383.286 2.359 20 0 GEADLO COc1cc(C)c(Br)cc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456204487 650333684 /nfs/dbraw/zinc/33/36/84/650333684.db2.gz LYNDHLJEJXMXAN-BETUJISGSA-N 1 2 383.286 2.359 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000456479065 650341910 /nfs/dbraw/zinc/34/19/10/650341910.db2.gz FLNIVNPFRGIHTO-NSHDSACASA-N 1 2 384.249 2.211 20 0 GEADLO C[NH+](C)CC(C)(C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000457214433 650374057 /nfs/dbraw/zinc/37/40/57/650374057.db2.gz WMRXVBFDGYAFCC-UHFFFAOYSA-N 1 2 382.511 2.014 20 0 GEADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)c3cc(Br)co3)ccn2)CC1 ZINC000457707426 650382987 /nfs/dbraw/zinc/38/29/87/650382987.db2.gz MPMZGFLCFALLSV-UHFFFAOYSA-N 1 2 393.241 2.077 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)CCOc2ccccc2I)c1 ZINC000457850043 650386472 /nfs/dbraw/zinc/38/64/72/650386472.db2.gz GJDARSPGFMOGLD-UHFFFAOYSA-N 1 2 399.232 2.153 20 0 GEADLO Cc1csc(C(=O)NCCc2cn(C)c[nH+]2)c1I ZINC000457849369 650386529 /nfs/dbraw/zinc/38/65/29/650386529.db2.gz FRIRRNRENBIEIK-UHFFFAOYSA-N 1 2 375.235 2.367 20 0 GEADLO C[C@@H](CNC(=O)NCCc1cn(C)c[nH+]1)Oc1ccc(Br)cc1 ZINC000458494002 650404458 /nfs/dbraw/zinc/40/44/58/650404458.db2.gz WWRPOAVHLDIPDU-LBPRGKRZSA-N 1 2 381.274 2.492 20 0 GEADLO CCOC(=O)[C@@](C)(O)C[N@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000502789028 650412020 /nfs/dbraw/zinc/41/20/20/650412020.db2.gz JDGRUVHVSPRWJX-KRWDZBQOSA-N 1 2 391.295 2.246 20 0 GEADLO CCOC(=O)[C@@](C)(O)C[N@@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000502789028 650412026 /nfs/dbraw/zinc/41/20/26/650412026.db2.gz JDGRUVHVSPRWJX-KRWDZBQOSA-N 1 2 391.295 2.246 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NC/C=C\c1ccc(Br)cc1 ZINC000458977120 650416484 /nfs/dbraw/zinc/41/64/84/650416484.db2.gz OXVGWARANFWCOE-IHWYPQMZSA-N 1 2 382.302 2.436 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000458950924 650415512 /nfs/dbraw/zinc/41/55/12/650415512.db2.gz WWXXKZRKIOZATR-UHFFFAOYSA-N 1 2 376.284 2.346 20 0 GEADLO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cccc(O)c1Br ZINC000459326472 650422692 /nfs/dbraw/zinc/42/26/92/650422692.db2.gz MUDCFICOEZVOBG-AWEZNQCLSA-N 1 2 376.291 2.389 20 0 GEADLO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cccc(O)c1Br ZINC000459326472 650422694 /nfs/dbraw/zinc/42/26/94/650422694.db2.gz MUDCFICOEZVOBG-AWEZNQCLSA-N 1 2 376.291 2.389 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000459315784 650422357 /nfs/dbraw/zinc/42/23/57/650422357.db2.gz SHKRCLOUUZDHLY-UHFFFAOYSA-N 1 2 391.331 2.449 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH+]1CC(C)(COC)C1 ZINC000459620271 650429258 /nfs/dbraw/zinc/42/92/58/650429258.db2.gz ILUAXYBTBLONIE-GFCCVEGCSA-N 1 2 385.302 2.431 20 0 GEADLO Cc1cc(C[NH2+]CCNS(=O)(=O)c2cc(C)ccc2Br)no1 ZINC000459551849 650428504 /nfs/dbraw/zinc/42/85/04/650428504.db2.gz SYYXCXZFKGLODF-UHFFFAOYSA-N 1 2 388.287 2.122 20 0 GEADLO CCCOc1c(Br)cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1OCC ZINC000459715980 650430819 /nfs/dbraw/zinc/43/08/19/650430819.db2.gz VLPQQTVZBAILBI-ZFWWWQNUSA-N 1 2 388.302 2.422 20 0 GEADLO CCCOc1c(Br)cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)cc1OCC ZINC000459715980 650430821 /nfs/dbraw/zinc/43/08/21/650430821.db2.gz VLPQQTVZBAILBI-ZFWWWQNUSA-N 1 2 388.302 2.422 20 0 GEADLO C[C@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)c1ccn(C)n1 ZINC000459795005 650432544 /nfs/dbraw/zinc/43/25/44/650432544.db2.gz XCSQEKMEXNLREX-ZDUSSCGKSA-N 1 2 395.301 2.371 20 0 GEADLO C[C@@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)c1ccn(C)n1 ZINC000459795004 650432626 /nfs/dbraw/zinc/43/26/26/650432626.db2.gz XCSQEKMEXNLREX-CYBMUJFWSA-N 1 2 395.301 2.371 20 0 GEADLO CSC[C@@H](C)NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000505496999 650438046 /nfs/dbraw/zinc/43/80/46/650438046.db2.gz VYXGJBJSOQXADM-CQSZACIVSA-N 1 2 383.945 2.242 20 0 GEADLO CSC[C@@H](C)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000505496999 650438048 /nfs/dbraw/zinc/43/80/48/650438048.db2.gz VYXGJBJSOQXADM-CQSZACIVSA-N 1 2 383.945 2.242 20 0 GEADLO O=C(Cn1cc[nH+]c1)NCc1ccc(I)c(Cl)c1 ZINC000506344710 650444215 /nfs/dbraw/zinc/44/42/15/650444215.db2.gz BJNGTPQYBVXXAY-UHFFFAOYSA-N 1 2 375.597 2.458 20 0 GEADLO O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccn2cc[nH+]c2c1 ZINC000506882245 650451494 /nfs/dbraw/zinc/45/14/94/650451494.db2.gz WAJXLDXLFWIDHH-UHFFFAOYSA-N 1 2 398.220 2.445 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000507846516 650467892 /nfs/dbraw/zinc/46/78/92/650467892.db2.gz UHRIHPGWAJRUQP-UHFFFAOYSA-N 1 2 375.475 2.326 20 0 GEADLO Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000507948382 650470115 /nfs/dbraw/zinc/47/01/15/650470115.db2.gz HXIDWLMCCXXHCT-OAHLLOKOSA-N 1 2 392.301 2.156 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000462151324 650471631 /nfs/dbraw/zinc/47/16/31/650471631.db2.gz YBUKAWVQNWTCKP-UHFFFAOYSA-N 1 2 377.447 2.199 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NCCC[NH+]2CCCC2)c(F)c1Cl ZINC000462467028 650480748 /nfs/dbraw/zinc/48/07/48/650480748.db2.gz IQAQJWMMDQYYLE-UHFFFAOYSA-N 1 2 395.859 2.341 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCCCOc1ccc(Cl)cc1 ZINC000463346121 650493788 /nfs/dbraw/zinc/49/37/88/650493788.db2.gz SADONUOQLCUQPL-UHFFFAOYSA-N 1 2 390.933 2.141 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000509507670 650494978 /nfs/dbraw/zinc/49/49/78/650494978.db2.gz YHTIEINVOOJMIX-UHFFFAOYSA-N 1 2 376.214 2.471 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000467018093 650501009 /nfs/dbraw/zinc/50/10/09/650501009.db2.gz DHKCSCDCMGNMIG-GFCCVEGCSA-N 1 2 395.301 2.450 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000467018093 650501011 /nfs/dbraw/zinc/50/10/11/650501011.db2.gz DHKCSCDCMGNMIG-GFCCVEGCSA-N 1 2 395.301 2.450 20 0 GEADLO O=S(=O)(N1CCC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000510051297 650505900 /nfs/dbraw/zinc/50/59/00/650505900.db2.gz WPEBTKFFPIFVPJ-UHFFFAOYSA-N 1 2 378.325 2.104 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000468914636 650508013 /nfs/dbraw/zinc/50/80/13/650508013.db2.gz LJBCFHAYLLMBRV-SWLSCSKDSA-N 1 2 383.286 2.104 20 0 GEADLO CCOc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)cc1Br ZINC000470601672 650513470 /nfs/dbraw/zinc/51/34/70/650513470.db2.gz QLRIHQJRBFEMKG-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CCOc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)cc1Br ZINC000470601672 650513472 /nfs/dbraw/zinc/51/34/72/650513472.db2.gz QLRIHQJRBFEMKG-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511078430 650525249 /nfs/dbraw/zinc/52/52/49/650525249.db2.gz AKTCGZTUBIXPTR-OLZOCXBDSA-N 1 2 384.527 2.463 20 0 GEADLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511078430 650525254 /nfs/dbraw/zinc/52/52/54/650525254.db2.gz AKTCGZTUBIXPTR-OLZOCXBDSA-N 1 2 384.527 2.463 20 0 GEADLO Cc1nn(C)c2ncc(C[NH2+][C@H](C(N)=O)c3cccc(Br)c3)cc12 ZINC000475430728 650533313 /nfs/dbraw/zinc/53/33/13/650533313.db2.gz LFIQWKJCYNAFOL-HNNXBMFYSA-N 1 2 388.269 2.355 20 0 GEADLO O=S(=O)(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)NC1CC1 ZINC000475534862 650535363 /nfs/dbraw/zinc/53/53/63/650535363.db2.gz VZCXFIPTMKVVDR-QGZVFWFLSA-N 1 2 377.535 2.434 20 0 GEADLO O=S(=O)(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)NC1CC1 ZINC000475534862 650535365 /nfs/dbraw/zinc/53/53/65/650535365.db2.gz VZCXFIPTMKVVDR-QGZVFWFLSA-N 1 2 377.535 2.434 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc3ncsc3c2)CC[N@@H+]1CCOC ZINC000476503069 650551946 /nfs/dbraw/zinc/55/19/46/650551946.db2.gz BCEVLSADPPGSFZ-CQSZACIVSA-N 1 2 383.539 2.418 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc3ncsc3c2)CC[N@H+]1CCOC ZINC000476503069 650551951 /nfs/dbraw/zinc/55/19/51/650551951.db2.gz BCEVLSADPPGSFZ-CQSZACIVSA-N 1 2 383.539 2.418 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000476581660 650554458 /nfs/dbraw/zinc/55/44/58/650554458.db2.gz OBFOIBQFIORIAK-HNNXBMFYSA-N 1 2 382.551 2.347 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000476581660 650554463 /nfs/dbraw/zinc/55/44/63/650554463.db2.gz OBFOIBQFIORIAK-HNNXBMFYSA-N 1 2 382.551 2.347 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000513884250 650570694 /nfs/dbraw/zinc/57/06/94/650570694.db2.gz SYSRJAVDGSDEJJ-UHFFFAOYSA-N 1 2 395.257 2.306 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000514108340 650573804 /nfs/dbraw/zinc/57/38/04/650573804.db2.gz YGPAOWYZZYIYJS-QGZVFWFLSA-N 1 2 381.270 2.338 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000514108340 650573805 /nfs/dbraw/zinc/57/38/05/650573805.db2.gz YGPAOWYZZYIYJS-QGZVFWFLSA-N 1 2 381.270 2.338 20 0 GEADLO [NH3+][C@H](C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)c1cscn1 ZINC000514930763 650583598 /nfs/dbraw/zinc/58/35/98/650583598.db2.gz QQZVZBVLUHYCPB-AWEZNQCLSA-N 1 2 392.531 2.404 20 0 GEADLO CSC[C@@H]1CCCN1C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000514953766 650584408 /nfs/dbraw/zinc/58/44/08/650584408.db2.gz USSXWVZWJMWKGG-XJKSGUPXSA-N 1 2 383.945 2.413 20 0 GEADLO CC(C)CSCCCNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000478871640 650592077 /nfs/dbraw/zinc/59/20/77/650592077.db2.gz SLROKTYZZSGSPL-UHFFFAOYSA-N 1 2 383.583 2.118 20 0 GEADLO CC(C)CSCCCNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000478871640 650592078 /nfs/dbraw/zinc/59/20/78/650592078.db2.gz SLROKTYZZSGSPL-UHFFFAOYSA-N 1 2 383.583 2.118 20 0 GEADLO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC[S@](=O)C1 ZINC000516730667 650601053 /nfs/dbraw/zinc/60/10/53/650601053.db2.gz LJBWSTMUCYAWTA-JNOMOHGBSA-N 1 2 383.945 2.495 20 0 GEADLO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC[S@](=O)C1 ZINC000516730667 650601058 /nfs/dbraw/zinc/60/10/58/650601058.db2.gz LJBWSTMUCYAWTA-JNOMOHGBSA-N 1 2 383.945 2.495 20 0 GEADLO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1(S(C)(=O)=O)CC1 ZINC000517194078 650601877 /nfs/dbraw/zinc/60/18/77/650601877.db2.gz JDQPQMVKXQJUSL-ZIAGYGMSSA-N 1 2 385.555 2.150 20 0 GEADLO Cc1ncc(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c(=O)[nH]1 ZINC000479456055 650603955 /nfs/dbraw/zinc/60/39/55/650603955.db2.gz PEZYMZNNHOAJOW-ZETCQYMHSA-N 1 2 391.280 2.296 20 0 GEADLO C[C@@]([NH3+])(C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)cc1 ZINC000518529639 650605627 /nfs/dbraw/zinc/60/56/27/650605627.db2.gz PYNQFGURVSYPRC-QFYYESIMSA-N 1 2 395.257 2.118 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCCOc1ccccc1Br ZINC000520527831 650615070 /nfs/dbraw/zinc/61/50/70/650615070.db2.gz GZGKBEPSUDYYBX-AWEZNQCLSA-N 1 2 385.302 2.445 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)CCCOc1ccccc1Br ZINC000520527831 650615071 /nfs/dbraw/zinc/61/50/71/650615071.db2.gz GZGKBEPSUDYYBX-AWEZNQCLSA-N 1 2 385.302 2.445 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc(I)c1 ZINC000520592620 650615254 /nfs/dbraw/zinc/61/52/54/650615254.db2.gz BEKCYUUHRYJXHQ-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1cccc(I)c1 ZINC000520592620 650615257 /nfs/dbraw/zinc/61/52/57/650615257.db2.gz BEKCYUUHRYJXHQ-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO O=C(NCC[NH+]1CCSCC1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000522121581 650622260 /nfs/dbraw/zinc/62/22/60/650622260.db2.gz UHTXNQSROVFCLI-UHFFFAOYSA-N 1 2 377.491 2.317 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)COc2ccc(Br)cc2Cl)CCO1 ZINC000523712737 650637234 /nfs/dbraw/zinc/63/72/34/650637234.db2.gz NYYXFPVBRUIXBI-NSHDSACASA-N 1 2 391.693 2.318 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)COc2ccc(Br)cc2Cl)CCO1 ZINC000523712737 650637235 /nfs/dbraw/zinc/63/72/35/650637235.db2.gz NYYXFPVBRUIXBI-NSHDSACASA-N 1 2 391.693 2.318 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)NCCOc1cccc(Cl)c1 ZINC000524755632 650645829 /nfs/dbraw/zinc/64/58/29/650645829.db2.gz CMHVYDRAWLHFTL-DZGCQCFKSA-N 1 2 380.794 2.223 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)NCCOc1cccc(Cl)c1 ZINC000524755632 650645832 /nfs/dbraw/zinc/64/58/32/650645832.db2.gz CMHVYDRAWLHFTL-DZGCQCFKSA-N 1 2 380.794 2.223 20 0 GEADLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000481853734 650654954 /nfs/dbraw/zinc/65/49/54/650654954.db2.gz YGJMHDYNSPBSJQ-STQMWFEESA-N 1 2 388.559 2.272 20 0 GEADLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000481853734 650654955 /nfs/dbraw/zinc/65/49/55/650654955.db2.gz YGJMHDYNSPBSJQ-STQMWFEESA-N 1 2 388.559 2.272 20 0 GEADLO Cn1cc[nH+]c1N1CCC(NC(=O)c2cccc(Br)c2O)CC1 ZINC000526018768 650663237 /nfs/dbraw/zinc/66/32/37/650663237.db2.gz WJABPORJCVEVQQ-UHFFFAOYSA-N 1 2 379.258 2.287 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H](C)[S@@]1=O ZINC000484717821 650689074 /nfs/dbraw/zinc/68/90/74/650689074.db2.gz VZCXPELBSWCXLG-IKNDOAPOSA-N 1 2 376.316 2.030 20 0 GEADLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H](C)[S@@]1=O ZINC000484717821 650689077 /nfs/dbraw/zinc/68/90/77/650689077.db2.gz VZCXPELBSWCXLG-IKNDOAPOSA-N 1 2 376.316 2.030 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000528466136 650694571 /nfs/dbraw/zinc/69/45/71/650694571.db2.gz SSGRTQDAEMITTD-KWCYVHTRSA-N 1 2 386.359 2.366 20 0 GEADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]2C[C@]2(C)Br)CC1 ZINC000529115493 650701419 /nfs/dbraw/zinc/70/14/19/650701419.db2.gz ARXIZSYNUUOSBA-YJBOKZPZSA-N 1 2 394.313 2.463 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000486075252 650707050 /nfs/dbraw/zinc/70/70/50/650707050.db2.gz DIGCNUVYQWFDPG-UHFFFAOYSA-N 1 2 390.933 2.328 20 0 GEADLO CCOCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486575832 650716063 /nfs/dbraw/zinc/71/60/63/650716063.db2.gz LMEYOFMZUBETSD-IAGOWNOFSA-N 1 2 376.469 2.445 20 0 GEADLO CCOCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486575832 650716068 /nfs/dbraw/zinc/71/60/68/650716068.db2.gz LMEYOFMZUBETSD-IAGOWNOFSA-N 1 2 376.469 2.445 20 0 GEADLO COC[C@H](C)S(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486580789 650716319 /nfs/dbraw/zinc/71/63/19/650716319.db2.gz XXMRSCLHAQWGSA-ZLIFDBKOSA-N 1 2 376.469 2.443 20 0 GEADLO COC[C@H](C)S(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486580789 650716322 /nfs/dbraw/zinc/71/63/22/650716322.db2.gz XXMRSCLHAQWGSA-ZLIFDBKOSA-N 1 2 376.469 2.443 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2n1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000487946275 650739973 /nfs/dbraw/zinc/73/99/73/650739973.db2.gz WNUVKXQEZYMITN-LBPRGKRZSA-N 1 2 389.257 2.108 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000488517248 650746990 /nfs/dbraw/zinc/74/69/90/650746990.db2.gz CPCWXLBTLORUGH-MRXNPFEDSA-N 1 2 387.571 2.283 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000488517248 650746993 /nfs/dbraw/zinc/74/69/93/650746993.db2.gz CPCWXLBTLORUGH-MRXNPFEDSA-N 1 2 387.571 2.283 20 0 GEADLO Cn1cc(Cl)cc1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000031109854 642478784 /nfs/dbraw/zinc/47/87/84/642478784.db2.gz QPSXXUIWXHOVNH-UHFFFAOYSA-N 1 2 381.885 2.241 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2c[nH]c3cccc(Br)c23)CCO1 ZINC000533134754 650757909 /nfs/dbraw/zinc/75/79/09/650757909.db2.gz NCZKNABLMULVKB-GFCCVEGCSA-N 1 2 380.286 2.310 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2c[nH]c3cccc(Br)c23)CCO1 ZINC000533134754 650757910 /nfs/dbraw/zinc/75/79/10/650757910.db2.gz NCZKNABLMULVKB-GFCCVEGCSA-N 1 2 380.286 2.310 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000032550414 642496125 /nfs/dbraw/zinc/49/61/25/642496125.db2.gz ASLYNFMVJWIZCJ-UHFFFAOYSA-N 1 2 377.447 2.338 20 0 GEADLO O=S(=O)(c1ccc(Br)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000037040582 642512554 /nfs/dbraw/zinc/51/25/54/642512554.db2.gz WUXSURCIXYMEDJ-UHFFFAOYSA-N 1 2 382.283 2.355 20 0 GEADLO O=S(=O)(NCCCn1cc[nH+]c1)c1cc(Br)cnc1Cl ZINC000041066236 642524590 /nfs/dbraw/zinc/52/45/90/642524590.db2.gz LXXCETCPDLMBSJ-UHFFFAOYSA-N 1 2 379.667 2.063 20 0 GEADLO CSc1nc2ccc(NC(=O)C(=O)N[C@@H](C)Cn3cc[nH+]c3)cc2s1 ZINC000041992940 642538003 /nfs/dbraw/zinc/53/80/03/642538003.db2.gz FRTVAJNNSIMLOB-JTQLQIEISA-N 1 2 375.479 2.358 20 0 GEADLO O=C([C@H]1CCCO1)N1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000042365340 642551597 /nfs/dbraw/zinc/55/15/97/642551597.db2.gz TVPQTEPAGFKCMI-MRXNPFEDSA-N 1 2 383.286 2.151 20 0 GEADLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000042641488 642554238 /nfs/dbraw/zinc/55/42/38/642554238.db2.gz SVAZAWIHDDEJOK-UONOGXRCSA-N 1 2 387.571 2.184 20 0 GEADLO CCCCc1nnc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000043382677 642559699 /nfs/dbraw/zinc/55/96/99/642559699.db2.gz DMCUVLVJRILRIF-MRXNPFEDSA-N 1 2 385.559 2.210 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)NCC[NH+]2CCSCC2)cc1Cl ZINC000489681113 650761682 /nfs/dbraw/zinc/76/16/82/650761682.db2.gz RQBUJHBKACOPBH-UHFFFAOYSA-N 1 2 385.338 2.329 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)[N@@H+]1CCc2sccc2C1 ZINC000046802095 642616339 /nfs/dbraw/zinc/61/63/39/642616339.db2.gz GYYGFQIGGUTRHG-CYBMUJFWSA-N 1 2 378.519 2.408 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)[N@H+]1CCc2sccc2C1 ZINC000046802095 642616346 /nfs/dbraw/zinc/61/63/46/642616346.db2.gz GYYGFQIGGUTRHG-CYBMUJFWSA-N 1 2 378.519 2.408 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)NNC(=O)c1ccccc1Br ZINC000046944944 642620315 /nfs/dbraw/zinc/62/03/15/642620315.db2.gz MMGCAVMBIKLMFM-UHFFFAOYSA-N 1 2 392.257 2.290 20 0 GEADLO COCC[N@H+](CC(=O)Nc1ccc(Br)cc1F)[C@H]1CCOC1 ZINC000490080444 650767794 /nfs/dbraw/zinc/76/77/94/650767794.db2.gz OJNGUQHQKCRKMF-LBPRGKRZSA-N 1 2 375.238 2.264 20 0 GEADLO COCC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)[C@H]1CCOC1 ZINC000490080444 650767797 /nfs/dbraw/zinc/76/77/97/650767797.db2.gz OJNGUQHQKCRKMF-LBPRGKRZSA-N 1 2 375.238 2.264 20 0 GEADLO O=C(NCCOc1ccc(Br)cc1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000490137672 650769349 /nfs/dbraw/zinc/76/93/49/650769349.db2.gz RUBQXBBQEGVVJV-QGZVFWFLSA-N 1 2 397.313 2.445 20 0 GEADLO O=C(NCCOc1ccc(Br)cc1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000490137672 650769352 /nfs/dbraw/zinc/76/93/52/650769352.db2.gz RUBQXBBQEGVVJV-QGZVFWFLSA-N 1 2 397.313 2.445 20 0 GEADLO CCS(=O)(=O)N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000052113208 642710327 /nfs/dbraw/zinc/71/03/27/642710327.db2.gz SJYNIQAGIGYOBG-UHFFFAOYSA-N 1 2 394.324 2.289 20 0 GEADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000052311753 642716089 /nfs/dbraw/zinc/71/60/89/642716089.db2.gz YTNUTEMCYMYSHK-ZDUSSCGKSA-N 1 2 388.331 2.022 20 0 GEADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000052311753 642716094 /nfs/dbraw/zinc/71/60/94/642716094.db2.gz YTNUTEMCYMYSHK-ZDUSSCGKSA-N 1 2 388.331 2.022 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052693527 642724955 /nfs/dbraw/zinc/72/49/55/642724955.db2.gz IASJTCQTKXTSSM-GFCCVEGCSA-N 1 2 391.331 2.219 20 0 GEADLO COc1ccc(Br)cc1C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052693527 642724963 /nfs/dbraw/zinc/72/49/63/642724963.db2.gz IASJTCQTKXTSSM-GFCCVEGCSA-N 1 2 391.331 2.219 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000534637640 650779026 /nfs/dbraw/zinc/77/90/26/650779026.db2.gz ZGGBYRREZPYXKV-ZBFHGGJFSA-N 1 2 380.491 2.258 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000534637640 650779029 /nfs/dbraw/zinc/77/90/29/650779029.db2.gz ZGGBYRREZPYXKV-ZBFHGGJFSA-N 1 2 380.491 2.258 20 0 GEADLO O=C(CSCC(=O)Nc1cccc(Br)c1)NCCn1cc[nH+]c1 ZINC000053808762 642739855 /nfs/dbraw/zinc/73/98/55/642739855.db2.gz FHIROMVWZYKWTI-UHFFFAOYSA-N 1 2 397.298 2.134 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000054817188 642761032 /nfs/dbraw/zinc/76/10/32/642761032.db2.gz NUFWEPOKCYORFY-IUODEOHRSA-N 1 2 398.301 2.293 20 0 GEADLO Cc1ccc(Br)c(NC(=O)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000535605759 650789113 /nfs/dbraw/zinc/78/91/13/650789113.db2.gz HUJSHBZJVCXCSL-UHFFFAOYSA-N 1 2 377.242 2.319 20 0 GEADLO CC(C)(C)c1nnc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000056736964 642797128 /nfs/dbraw/zinc/79/71/28/642797128.db2.gz SXIHQABUABMJLZ-MRXNPFEDSA-N 1 2 385.559 2.165 20 0 GEADLO O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCCn1cc[nH+]c1 ZINC000057791945 642817171 /nfs/dbraw/zinc/81/71/71/642817171.db2.gz RLNHUDLVFDBTSN-UHFFFAOYSA-N 1 2 375.479 2.402 20 0 GEADLO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1S(C)(=O)=O ZINC000062355264 642847463 /nfs/dbraw/zinc/84/74/63/642847463.db2.gz UCUASBPTGVDMBE-ZDUSSCGKSA-N 1 2 382.507 2.193 20 0 GEADLO C[C@@H]1CN(C(=O)c2cccc(Br)c2O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000535829101 650791075 /nfs/dbraw/zinc/79/10/75/650791075.db2.gz XWEBOQLMHWYCPV-CZUORRHYSA-N 1 2 396.329 2.253 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000068508422 643004426 /nfs/dbraw/zinc/00/44/26/643004426.db2.gz WVJHRPHLSFBDRU-UHFFFAOYSA-N 1 2 379.309 2.232 20 0 GEADLO C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000069039690 643019185 /nfs/dbraw/zinc/01/91/85/643019185.db2.gz LFPKOCSKDSDLQC-CYBMUJFWSA-N 1 2 387.933 2.209 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000069292086 643028380 /nfs/dbraw/zinc/02/83/80/643028380.db2.gz NREGQDDQRBFQHE-UHFFFAOYSA-N 1 2 377.869 2.110 20 0 GEADLO COc1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c(OC(F)F)c1 ZINC000092529775 643071823 /nfs/dbraw/zinc/07/18/23/643071823.db2.gz LYHPCIFKGWHMQA-UHFFFAOYSA-N 1 2 378.441 2.152 20 0 GEADLO COc1cc(Br)cc(C[NH+]2CCN(Cc3nccn3C)CC2)c1O ZINC000093108280 643074873 /nfs/dbraw/zinc/07/48/73/643074873.db2.gz ZSKAMSZSYUGWPI-UHFFFAOYSA-N 1 2 395.301 2.215 20 0 GEADLO CC[N@@H+]1CCc2nc(NC(=O)c3ccccc3NS(C)(=O)=O)sc2C1 ZINC000097053203 643094633 /nfs/dbraw/zinc/09/46/33/643094633.db2.gz ZJWRHCGOQQVRIE-UHFFFAOYSA-N 1 2 380.495 2.145 20 0 GEADLO CC[N@H+]1CCc2nc(NC(=O)c3ccccc3NS(C)(=O)=O)sc2C1 ZINC000097053203 643094638 /nfs/dbraw/zinc/09/46/38/643094638.db2.gz ZJWRHCGOQQVRIE-UHFFFAOYSA-N 1 2 380.495 2.145 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2csc(Br)c2)CCO1 ZINC000494690420 650814574 /nfs/dbraw/zinc/81/45/74/650814574.db2.gz KQNGBVUPMRETFM-GFCCVEGCSA-N 1 2 376.320 2.421 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2csc(Br)c2)CCO1 ZINC000494690420 650814576 /nfs/dbraw/zinc/81/45/76/650814576.db2.gz KQNGBVUPMRETFM-GFCCVEGCSA-N 1 2 376.320 2.421 20 0 GEADLO CCCCC(=O)N1CSC[C@@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000102749771 643135097 /nfs/dbraw/zinc/13/50/97/643135097.db2.gz AHWJQCKODZTCRD-MRXNPFEDSA-N 1 2 381.567 2.484 20 0 GEADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000103493551 643168553 /nfs/dbraw/zinc/16/85/53/643168553.db2.gz MWUKQCNINBKOFO-ZDUSSCGKSA-N 1 2 389.327 2.047 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cc(Br)cnc1Cl)[NH+]1CCOCC1 ZINC000104599627 643185924 /nfs/dbraw/zinc/18/59/24/643185924.db2.gz OJFBQSUVZZUHRO-VHSXEESVSA-N 1 2 376.682 2.337 20 0 GEADLO CCOCCN1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000106105933 643222421 /nfs/dbraw/zinc/22/24/21/643222421.db2.gz QDJOGQHABUHFCA-CQSZACIVSA-N 1 2 377.312 2.387 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000537747693 650823080 /nfs/dbraw/zinc/82/30/80/650823080.db2.gz FIZVZQVYYVHVEH-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000537747693 650823084 /nfs/dbraw/zinc/82/30/84/650823084.db2.gz FIZVZQVYYVHVEH-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3cccc(Br)c3)C2)CC1 ZINC000106548915 643233820 /nfs/dbraw/zinc/23/38/20/643233820.db2.gz AXXUGPUPNHVFSF-QGZVFWFLSA-N 1 2 395.345 2.371 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1ccccc1Br ZINC000106580722 643234463 /nfs/dbraw/zinc/23/44/63/643234463.db2.gz XALWMXGGRBNNMH-AWEZNQCLSA-N 1 2 383.334 2.226 20 0 GEADLO O[C@@H](CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)C[NH+]1CCOCC1 ZINC000106935337 643246963 /nfs/dbraw/zinc/24/69/63/643246963.db2.gz HXMRWXHAOBRGNF-PXAZEXFGSA-N 1 2 393.286 2.199 20 0 GEADLO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000107091464 643249429 /nfs/dbraw/zinc/24/94/29/643249429.db2.gz QBZBXCNMXIWRJZ-CQSZACIVSA-N 1 2 381.523 2.364 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000107301299 643252952 /nfs/dbraw/zinc/25/29/52/643252952.db2.gz DTCBVFJXTPHEAD-JTQLQIEISA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000107301299 643252957 /nfs/dbraw/zinc/25/29/57/643252957.db2.gz DTCBVFJXTPHEAD-JTQLQIEISA-N 1 2 396.738 2.108 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2nc(Cl)ccc2Cl)CC1 ZINC000108096778 643265835 /nfs/dbraw/zinc/26/58/35/643265835.db2.gz AEAIFTQOSSVWQE-UHFFFAOYSA-N 1 2 387.311 2.405 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2nc(Cl)ccc2Cl)CC1 ZINC000108096778 643265838 /nfs/dbraw/zinc/26/58/38/643265838.db2.gz AEAIFTQOSSVWQE-UHFFFAOYSA-N 1 2 387.311 2.405 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCc1cccc(Br)c1 ZINC000108883386 643284621 /nfs/dbraw/zinc/28/46/21/643284621.db2.gz QGPPIFZWSHBNKF-AWEZNQCLSA-N 1 2 384.318 2.402 20 0 GEADLO CC1(CNC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)COC1 ZINC000497443779 650834965 /nfs/dbraw/zinc/83/49/65/650834965.db2.gz QQBNLLWZPSIMFE-UHFFFAOYSA-N 1 2 397.273 2.487 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)CS(=O)(=O)CC)c1ccsc1 ZINC000113590854 643400888 /nfs/dbraw/zinc/40/08/88/643400888.db2.gz ZQAPSKUZHSDMME-UKRRQHHQSA-N 1 2 375.560 2.253 20 0 GEADLO CCC[C@@H](C(=O)OCC)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000114803345 643426382 /nfs/dbraw/zinc/42/63/82/643426382.db2.gz ZHHNLNBNGOJLJJ-ZDUSSCGKSA-N 1 2 388.452 2.007 20 0 GEADLO Cc1ccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)cc1Br ZINC000119642045 643562893 /nfs/dbraw/zinc/56/28/93/643562893.db2.gz DNPFUZXRPSBAOZ-UHFFFAOYSA-N 1 2 380.330 2.498 20 0 GEADLO CS(=O)(=O)N1CCN(c2ccc(NCc3cccc(Cl)c3)c[nH+]2)CC1 ZINC000119651740 643564063 /nfs/dbraw/zinc/56/40/63/643564063.db2.gz ZCNIQGZDAONDSM-UHFFFAOYSA-N 1 2 380.901 2.429 20 0 GEADLO C[C@@H]1CCN(Cn2nc(N3CCOCC3)sc2=S)C[C@@H]1n1cc[nH+]c1 ZINC000121559156 643636004 /nfs/dbraw/zinc/63/60/04/643636004.db2.gz KCGBFRNMJJKNMO-KGLIPLIRSA-N 1 2 380.543 2.248 20 0 GEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(I)c1 ZINC000539949308 650854820 /nfs/dbraw/zinc/85/48/20/650854820.db2.gz BFTSUSFLGRTDGX-GHMZBOCLSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(I)c1 ZINC000539949308 650854824 /nfs/dbraw/zinc/85/48/24/650854824.db2.gz BFTSUSFLGRTDGX-GHMZBOCLSA-N 1 2 394.278 2.004 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000123247473 643666015 /nfs/dbraw/zinc/66/60/15/643666015.db2.gz JOBZKJRJZJSHMI-GFCCVEGCSA-N 1 2 398.472 2.376 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000125022014 643698508 /nfs/dbraw/zinc/69/85/08/643698508.db2.gz WKNCGCSWPQHPEH-KBPBESRZSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000125022014 643698512 /nfs/dbraw/zinc/69/85/12/643698512.db2.gz WKNCGCSWPQHPEH-KBPBESRZSA-N 1 2 385.258 2.040 20 0 GEADLO CC(=O)N[C@@H](CC(=O)NCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000125052480 643699108 /nfs/dbraw/zinc/69/91/08/643699108.db2.gz VDBGBWJPDTUONU-INIZCTEOSA-N 1 2 393.285 2.419 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1ccc(Br)cc1 ZINC000126362739 643729643 /nfs/dbraw/zinc/72/96/43/643729643.db2.gz QSBFAWBKKFHRIJ-QSRBQVKKSA-N 1 2 375.332 2.325 20 0 GEADLO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)c1ccc(Br)cc1 ZINC000126362739 643729648 /nfs/dbraw/zinc/72/96/48/643729648.db2.gz QSBFAWBKKFHRIJ-QSRBQVKKSA-N 1 2 375.332 2.325 20 0 GEADLO CSCC[C@@H](C)[N@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000126598852 643736988 /nfs/dbraw/zinc/73/69/88/643736988.db2.gz JTINHPFXNBTOTB-GDBMZVCRSA-N 1 2 376.588 2.018 20 0 GEADLO CSCC[C@@H](C)[N@@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000126598852 643736994 /nfs/dbraw/zinc/73/69/94/643736994.db2.gz JTINHPFXNBTOTB-GDBMZVCRSA-N 1 2 376.588 2.018 20 0 GEADLO Cc1ccc(C[N@H+](C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)s1 ZINC000126648502 643739350 /nfs/dbraw/zinc/73/93/50/643739350.db2.gz BQRFVRWYFLDKGR-UHFFFAOYSA-N 1 2 387.914 2.428 20 0 GEADLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)s1 ZINC000126648502 643739354 /nfs/dbraw/zinc/73/93/54/643739354.db2.gz BQRFVRWYFLDKGR-UHFFFAOYSA-N 1 2 387.914 2.428 20 0 GEADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000126652019 643739519 /nfs/dbraw/zinc/73/95/19/643739519.db2.gz JNCBCRARFMZOHV-WVDJIFEKSA-N 1 2 381.361 2.168 20 0 GEADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000126652019 643739525 /nfs/dbraw/zinc/73/95/25/643739525.db2.gz JNCBCRARFMZOHV-WVDJIFEKSA-N 1 2 381.361 2.168 20 0 GEADLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cc(I)c[nH]1 ZINC000130291477 643833783 /nfs/dbraw/zinc/83/37/83/643833783.db2.gz IECRUQQKAFVBEX-LBPRGKRZSA-N 1 2 396.232 2.413 20 0 GEADLO CSCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1nnc2ccccn21 ZINC000130796122 643851205 /nfs/dbraw/zinc/85/12/05/643851205.db2.gz DSYDBJQJQZZTCY-ZIAGYGMSSA-N 1 2 379.555 2.077 20 0 GEADLO C/C(=C/c1ccccc1Cl)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000133039468 643891605 /nfs/dbraw/zinc/89/16/05/643891605.db2.gz YFZOUMJVDKZBKO-YPKPFQOOSA-N 1 2 384.929 2.369 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000499089850 650873353 /nfs/dbraw/zinc/87/33/53/650873353.db2.gz DEMUHDCNAAEROL-KBPBESRZSA-N 1 2 387.933 2.238 20 0 GEADLO CC[N@H+]1C[C@H](C)N(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000499089850 650873356 /nfs/dbraw/zinc/87/33/56/650873356.db2.gz DEMUHDCNAAEROL-KBPBESRZSA-N 1 2 387.933 2.238 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000499258226 650877387 /nfs/dbraw/zinc/87/73/87/650877387.db2.gz YKXGUMNFYVLAGX-BBRMVZONSA-N 1 2 394.313 2.103 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000499258226 650877389 /nfs/dbraw/zinc/87/73/89/650877389.db2.gz YKXGUMNFYVLAGX-BBRMVZONSA-N 1 2 394.313 2.103 20 0 GEADLO COC(=O)c1ncn(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000151568355 643945558 /nfs/dbraw/zinc/94/55/58/643945558.db2.gz DYSZPVRWTJJMJP-VIFPVBQESA-N 1 2 375.376 2.377 20 0 GEADLO COC(=O)c1ncn(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000151568355 643945559 /nfs/dbraw/zinc/94/55/59/643945559.db2.gz DYSZPVRWTJJMJP-VIFPVBQESA-N 1 2 375.376 2.377 20 0 GEADLO CC[N@H+](CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1CC1 ZINC000153327407 643985670 /nfs/dbraw/zinc/98/56/70/643985670.db2.gz KPHNLVYNTLPGHG-UHFFFAOYSA-N 1 2 380.495 2.367 20 0 GEADLO CC[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1CC1 ZINC000153327407 643985690 /nfs/dbraw/zinc/98/56/90/643985690.db2.gz KPHNLVYNTLPGHG-UHFFFAOYSA-N 1 2 380.495 2.367 20 0 GEADLO C[C@H](CNC(=O)c1cc(Br)c2c(c1)OCCO2)Cn1cc[nH+]c1 ZINC000153573105 643994518 /nfs/dbraw/zinc/99/45/18/643994518.db2.gz KLDAJWDMAMDIIB-LLVKDONJSA-N 1 2 380.242 2.483 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000154666867 644059290 /nfs/dbraw/zinc/05/92/90/644059290.db2.gz UQLFDCSYIXDHGV-UHFFFAOYSA-N 1 2 375.226 2.307 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000155100283 644063574 /nfs/dbraw/zinc/06/35/74/644063574.db2.gz OZESWCGELHJFIV-OAHLLOKOSA-N 1 2 390.908 2.353 20 0 GEADLO Cc1cc(Cl)ncc1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000155104162 644063942 /nfs/dbraw/zinc/06/39/42/644063942.db2.gz JHOVUVXAGVHHCA-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO Cc1cc(Cl)ncc1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000155104162 644063947 /nfs/dbraw/zinc/06/39/47/644063947.db2.gz JHOVUVXAGVHHCA-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO NC(=O)[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1cccc(Br)c1 ZINC000162026138 644229627 /nfs/dbraw/zinc/22/96/27/644229627.db2.gz FKZMSBOXSKULQE-OAHLLOKOSA-N 1 2 380.217 2.343 20 0 GEADLO O=S(=O)(c1cccc(Br)c1F)N1CC[NH+](C2CCC2)CC1 ZINC000543249258 650904921 /nfs/dbraw/zinc/90/49/21/650904921.db2.gz FZHJMHRCPFZICV-UHFFFAOYSA-N 1 2 377.279 2.447 20 0 GEADLO C[N@H+](CN1C(=O)N[C@](C)(c2ccc(I)cc2)C1=O)C1CC1 ZINC000170902435 644296832 /nfs/dbraw/zinc/29/68/32/644296832.db2.gz MXOIAFWCGKUIKB-OAHLLOKOSA-N 1 2 399.232 2.110 20 0 GEADLO C[N@@H+](CN1C(=O)N[C@](C)(c2ccc(I)cc2)C1=O)C1CC1 ZINC000170902435 644296833 /nfs/dbraw/zinc/29/68/33/644296833.db2.gz MXOIAFWCGKUIKB-OAHLLOKOSA-N 1 2 399.232 2.110 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCc2cc(Br)cs2)CCO1 ZINC000171013581 644301731 /nfs/dbraw/zinc/30/17/31/644301731.db2.gz VFIUIWXBXTTYKL-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCc2cc(Br)cs2)CCO1 ZINC000171013581 644301734 /nfs/dbraw/zinc/30/17/34/644301734.db2.gz VFIUIWXBXTTYKL-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1cc(Br)cs1 ZINC000171102506 644309306 /nfs/dbraw/zinc/30/93/06/644309306.db2.gz USYAMAOABFLDBN-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1cc(Br)cs1 ZINC000171102506 644309321 /nfs/dbraw/zinc/30/93/21/644309321.db2.gz USYAMAOABFLDBN-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCS(=O)(=O)[C@H](C)[C@@H]3C)c[nH+]c12 ZINC000543394268 650909424 /nfs/dbraw/zinc/90/94/24/650909424.db2.gz GNUFUWKWOZVWCZ-NWDGAFQWSA-N 1 2 386.315 2.413 20 0 GEADLO O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCC[N@@H+](CCO)CC1 ZINC000171506474 644326847 /nfs/dbraw/zinc/32/68/47/644326847.db2.gz TUVPDJGPUULJRA-UHFFFAOYSA-N 1 2 387.716 2.336 20 0 GEADLO O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCC[N@H+](CCO)CC1 ZINC000171506474 644326850 /nfs/dbraw/zinc/32/68/50/644326850.db2.gz TUVPDJGPUULJRA-UHFFFAOYSA-N 1 2 387.716 2.336 20 0 GEADLO C/C(=C\c1ccccc1Cl)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000178900411 644442921 /nfs/dbraw/zinc/44/29/21/644442921.db2.gz YFZOUMJVDKZBKO-BUHFOSPRSA-N 1 2 384.929 2.369 20 0 GEADLO Cc1cc(Br)cc(C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)c1O ZINC000179644314 644465720 /nfs/dbraw/zinc/46/57/20/644465720.db2.gz QUHNQOVEWSZSPF-CYBMUJFWSA-N 1 2 396.329 2.248 20 0 GEADLO Cc1cc(Br)cc(C[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1O ZINC000179644303 644465742 /nfs/dbraw/zinc/46/57/42/644465742.db2.gz QUHNQOVEWSZSPF-ZDUSSCGKSA-N 1 2 396.329 2.248 20 0 GEADLO COCC[C@@H](C)S(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000543834689 650925495 /nfs/dbraw/zinc/92/54/95/650925495.db2.gz OYIMLRAEOKSUEN-CYBMUJFWSA-N 1 2 376.469 2.274 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CC=C(c2cccc(Br)c2)CC1)C(=O)N(C)C ZINC000545172622 650963768 /nfs/dbraw/zinc/96/37/68/650963768.db2.gz ZRXAMORGHGQVMN-CYBMUJFWSA-N 1 2 394.313 2.131 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CC=C(c2cccc(Br)c2)CC1)C(=O)N(C)C ZINC000545172622 650963770 /nfs/dbraw/zinc/96/37/70/650963770.db2.gz ZRXAMORGHGQVMN-CYBMUJFWSA-N 1 2 394.313 2.131 20 0 GEADLO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cccc(Cl)c1O ZINC000182208700 644960146 /nfs/dbraw/zinc/96/01/46/644960146.db2.gz IOUZCMOAVPKGJU-UHFFFAOYSA-N 1 2 385.829 2.022 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)COC[C@H]3CCOC3)[nH+]c12 ZINC000545357818 650970858 /nfs/dbraw/zinc/97/08/58/650970858.db2.gz HCTKSZYZLIJRHO-ZDUSSCGKSA-N 1 2 396.285 2.117 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000184944349 645029165 /nfs/dbraw/zinc/02/91/65/645029165.db2.gz GXDPULDHQOANNX-HNNXBMFYSA-N 1 2 382.917 2.359 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000184944349 645029170 /nfs/dbraw/zinc/02/91/70/645029170.db2.gz GXDPULDHQOANNX-HNNXBMFYSA-N 1 2 382.917 2.359 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)nc12 ZINC000545406648 650973339 /nfs/dbraw/zinc/97/33/39/650973339.db2.gz OLYHVTDAWOVPFQ-LBPRGKRZSA-N 1 2 388.269 2.481 20 0 GEADLO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000185436397 645045611 /nfs/dbraw/zinc/04/56/11/645045611.db2.gz IDXRRAXKYUBHRV-UHFFFAOYSA-N 1 2 395.356 2.083 20 0 GEADLO C[C@H](CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)CC(C)(C)C ZINC000188035978 645104804 /nfs/dbraw/zinc/10/48/04/645104804.db2.gz LSGPQHMPUVFRJV-OAHLLOKOSA-N 1 2 375.579 2.257 20 0 GEADLO C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000188048093 645105141 /nfs/dbraw/zinc/10/51/41/645105141.db2.gz KJDJFXGVBMEMFN-GXTWGEPZSA-N 1 2 390.311 2.389 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl)C[NH+]1CCN(C)CC1 ZINC000188053762 645105400 /nfs/dbraw/zinc/10/54/00/645105400.db2.gz WPGFTZXMHXBNBA-LLVKDONJSA-N 1 2 398.331 2.294 20 0 GEADLO COCCCOCC[N@H+](C)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192163376 645197122 /nfs/dbraw/zinc/19/71/22/645197122.db2.gz BMQWHBITSWCOPD-UHFFFAOYSA-N 1 2 391.237 2.439 20 0 GEADLO COCCCOCC[N@@H+](C)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192163376 645197126 /nfs/dbraw/zinc/19/71/26/645197126.db2.gz BMQWHBITSWCOPD-UHFFFAOYSA-N 1 2 391.237 2.439 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(=O)[nH]c3)[nH+]c12 ZINC000546117195 650991988 /nfs/dbraw/zinc/99/19/88/650991988.db2.gz QALMCOGYUZMENH-UHFFFAOYSA-N 1 2 375.226 2.478 20 0 GEADLO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc(Br)c(Cl)s3)C2)N1 ZINC000193462398 645275425 /nfs/dbraw/zinc/27/54/25/645275425.db2.gz FWWMSOWSMMIUGW-LBPRGKRZSA-N 1 2 378.679 2.338 20 0 GEADLO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3cc(Br)c(Cl)s3)C2)N1 ZINC000193462398 645275430 /nfs/dbraw/zinc/27/54/30/645275430.db2.gz FWWMSOWSMMIUGW-LBPRGKRZSA-N 1 2 378.679 2.338 20 0 GEADLO CC1=CC[N@H+](CCNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000546566975 651002103 /nfs/dbraw/zinc/00/21/03/651002103.db2.gz OGMFOQADRJJHFR-UHFFFAOYSA-N 1 2 385.917 2.065 20 0 GEADLO CC1=CC[N@@H+](CCNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000546566975 651002106 /nfs/dbraw/zinc/00/21/06/651002106.db2.gz OGMFOQADRJJHFR-UHFFFAOYSA-N 1 2 385.917 2.065 20 0 GEADLO OCCOCCC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000230783963 645399480 /nfs/dbraw/zinc/39/94/80/645399480.db2.gz WSOSIHSNEVFULX-UHFFFAOYSA-N 1 2 383.080 2.406 20 0 GEADLO O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)[C@H]1COCC[NH2+]1 ZINC000237823198 645444337 /nfs/dbraw/zinc/44/43/37/645444337.db2.gz ONHMQWASFVGOBX-GFCCVEGCSA-N 1 2 385.649 2.420 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N(C)C3CC(O)C3)[nH+]c12 ZINC000546861525 651011642 /nfs/dbraw/zinc/01/16/42/651011642.db2.gz YBKWYIPFWYBRBO-UHFFFAOYSA-N 1 2 381.274 2.112 20 0 GEADLO C[C@H](NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000247107004 645504709 /nfs/dbraw/zinc/50/47/09/645504709.db2.gz VPUZFHQFPDFUFV-SLEUVZQESA-N 1 2 390.311 2.435 20 0 GEADLO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cnc1Cl ZINC000247173967 645506341 /nfs/dbraw/zinc/50/63/41/645506341.db2.gz RHICMNLJUVOZLI-RBSFLKMASA-N 1 2 387.933 2.306 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000247235423 645508967 /nfs/dbraw/zinc/50/89/67/645508967.db2.gz DIXIUNJPTOWIIY-HWWQOWPSSA-N 1 2 390.311 2.435 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000248468379 645528540 /nfs/dbraw/zinc/52/85/40/645528540.db2.gz UDZNMPRIBFDSOO-QWHCGFSZSA-N 1 2 383.432 2.200 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000248468379 645528545 /nfs/dbraw/zinc/52/85/45/645528545.db2.gz UDZNMPRIBFDSOO-QWHCGFSZSA-N 1 2 383.432 2.200 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000248832480 645541250 /nfs/dbraw/zinc/54/12/50/645541250.db2.gz FOVXZRWQXYOMAK-KBPBESRZSA-N 1 2 384.929 2.169 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000248832480 645541256 /nfs/dbraw/zinc/54/12/56/645541256.db2.gz FOVXZRWQXYOMAK-KBPBESRZSA-N 1 2 384.929 2.169 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1C(F)(F)F ZINC000249189463 645548661 /nfs/dbraw/zinc/54/86/61/645548661.db2.gz OYCWOSPSPDATEB-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1C(F)(F)F ZINC000249189463 645548666 /nfs/dbraw/zinc/54/86/66/645548666.db2.gz OYCWOSPSPDATEB-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO CC(C)CNC(=O)NC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249726336 645559115 /nfs/dbraw/zinc/55/91/15/645559115.db2.gz QEQNIVAHHFJAPN-GDBMZVCRSA-N 1 2 388.295 2.365 20 0 GEADLO CC(C)CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249726336 645559121 /nfs/dbraw/zinc/55/91/21/645559121.db2.gz QEQNIVAHHFJAPN-GDBMZVCRSA-N 1 2 388.295 2.365 20 0 GEADLO CCNc1nnc(SCCC(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000253610697 645571736 /nfs/dbraw/zinc/57/17/36/645571736.db2.gz BDXXXZFPJFNYNT-UHFFFAOYSA-N 1 2 378.527 2.196 20 0 GEADLO O=S(=O)(c1sccc1Br)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261606023 645589207 /nfs/dbraw/zinc/58/92/07/645589207.db2.gz BFDNOYPEEZNBAP-GFCCVEGCSA-N 1 2 388.312 2.241 20 0 GEADLO Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1Br ZINC000261709177 645595486 /nfs/dbraw/zinc/59/54/86/645595486.db2.gz MHRIAYHWDKRCEK-AWEZNQCLSA-N 1 2 396.310 2.488 20 0 GEADLO Cc1ccc(Br)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261796361 645600795 /nfs/dbraw/zinc/60/07/95/645600795.db2.gz LKZFHNLPPHEVOC-OAHLLOKOSA-N 1 2 396.310 2.488 20 0 GEADLO CSCC[C@@H]1NC(=S)N(c2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000264380705 645682032 /nfs/dbraw/zinc/68/20/32/645682032.db2.gz OMVXDOJNUNYNTI-CJNGLKHVSA-N 1 2 379.551 2.423 20 0 GEADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000264765754 645713360 /nfs/dbraw/zinc/71/33/60/645713360.db2.gz PRTIMWVLHIDTQX-SNVBAGLBSA-N 1 2 386.732 2.171 20 0 GEADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000264765754 645713389 /nfs/dbraw/zinc/71/33/89/645713389.db2.gz PRTIMWVLHIDTQX-SNVBAGLBSA-N 1 2 386.732 2.171 20 0 GEADLO CN1CCN(C)[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000264791373 645717432 /nfs/dbraw/zinc/71/74/32/645717432.db2.gz XETVIVBALGSLCG-HNNXBMFYSA-N 1 2 378.318 2.175 20 0 GEADLO CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000264950839 645730411 /nfs/dbraw/zinc/73/04/11/645730411.db2.gz KMTGAVQLBVHHOA-ZDUSSCGKSA-N 1 2 388.559 2.416 20 0 GEADLO O=C(NCc1cc2c(c(Br)c1)OCO2)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547630751 651040027 /nfs/dbraw/zinc/04/00/27/651040027.db2.gz HYDOTWZEBISDGW-NSHDSACASA-N 1 2 393.241 2.189 20 0 GEADLO Cc1ccc(NC(=O)CN2CCC[C@@H]2C[NH+]2CCOCC2)c(Br)c1 ZINC000266639627 645855248 /nfs/dbraw/zinc/85/52/48/645855248.db2.gz ACXQKCFGFKUUOD-OAHLLOKOSA-N 1 2 396.329 2.493 20 0 GEADLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc(C(N)=O)nn2)CC1 ZINC000266769231 645863113 /nfs/dbraw/zinc/86/31/13/645863113.db2.gz XQVZDRXEADSFKJ-GFCCVEGCSA-N 1 2 390.285 2.221 20 0 GEADLO CCC1(O)CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000267438125 645902122 /nfs/dbraw/zinc/90/21/22/645902122.db2.gz HAHIMGSMQRJDMR-UHFFFAOYSA-N 1 2 376.316 2.460 20 0 GEADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000268026344 645940697 /nfs/dbraw/zinc/94/06/97/645940697.db2.gz COMLZEYPAMKHIK-GFCCVEGCSA-N 1 2 383.857 2.418 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)S(=O)(=O)Cc1c[nH+]cn1C ZINC000268213828 645953996 /nfs/dbraw/zinc/95/39/96/645953996.db2.gz REZJMOSXYFHOFZ-JTQLQIEISA-N 1 2 386.271 2.125 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)c2cncc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000268231606 645956367 /nfs/dbraw/zinc/95/63/67/645956367.db2.gz FSANNSKMRNVFMC-RISCZKNCSA-N 1 2 385.287 2.312 20 0 GEADLO COCCNC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCSCC2)cc1Cl ZINC000269672514 646051180 /nfs/dbraw/zinc/05/11/80/646051180.db2.gz IWYKNVIZUSEHNH-LBPRGKRZSA-N 1 2 385.917 2.092 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+](CC)CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000270672188 646127481 /nfs/dbraw/zinc/12/74/81/646127481.db2.gz ALDZZWJQMNBVKN-JKSUJKDBSA-N 1 2 386.583 2.427 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+](CC)CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000270672188 646127483 /nfs/dbraw/zinc/12/74/83/646127483.db2.gz ALDZZWJQMNBVKN-JKSUJKDBSA-N 1 2 386.583 2.427 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)ccc1Br ZINC000270963949 646158655 /nfs/dbraw/zinc/15/86/55/646158655.db2.gz VHVHYQUPKMNJDS-AWEZNQCLSA-N 1 2 380.286 2.393 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)ccc1Br ZINC000270963949 646158666 /nfs/dbraw/zinc/15/86/66/646158666.db2.gz VHVHYQUPKMNJDS-AWEZNQCLSA-N 1 2 380.286 2.393 20 0 GEADLO CCCOc1c(Br)cc(C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1OC ZINC000271358034 646195210 /nfs/dbraw/zinc/19/52/10/646195210.db2.gz QKNUEVLAFJTPNQ-LBPRGKRZSA-N 1 2 386.290 2.489 20 0 GEADLO CCCOc1c(Br)cc(C[N@H+]2CC[C@H](NC(N)=O)C2)cc1OC ZINC000271358034 646195214 /nfs/dbraw/zinc/19/52/14/646195214.db2.gz QKNUEVLAFJTPNQ-LBPRGKRZSA-N 1 2 386.290 2.489 20 0 GEADLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000274435815 646320994 /nfs/dbraw/zinc/32/09/94/646320994.db2.gz AEGXXBQGNVZWOB-UHFFFAOYSA-N 1 2 384.523 2.461 20 0 GEADLO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCSC2(CCOCC2)C1 ZINC000274435815 646320999 /nfs/dbraw/zinc/32/09/99/646320999.db2.gz AEGXXBQGNVZWOB-UHFFFAOYSA-N 1 2 384.523 2.461 20 0 GEADLO COc1c(Br)cccc1C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000274931000 646334809 /nfs/dbraw/zinc/33/48/09/646334809.db2.gz XTIQURWQULAHID-LBPRGKRZSA-N 1 2 391.331 2.219 20 0 GEADLO COc1c(Br)cccc1C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000274931000 646334817 /nfs/dbraw/zinc/33/48/17/646334817.db2.gz XTIQURWQULAHID-LBPRGKRZSA-N 1 2 391.331 2.219 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000277989682 646486582 /nfs/dbraw/zinc/48/65/82/646486582.db2.gz PLUGEVDTDBEPPR-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000278266007 646507951 /nfs/dbraw/zinc/50/79/51/646507951.db2.gz IRNOBRDQMPDCOR-ZIAGYGMSSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000278266007 646507955 /nfs/dbraw/zinc/50/79/55/646507955.db2.gz IRNOBRDQMPDCOR-ZIAGYGMSSA-N 1 2 376.266 2.434 20 0 GEADLO CC[C@@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000278614415 646531007 /nfs/dbraw/zinc/53/10/07/646531007.db2.gz MSKDMTVWFJTZFY-CQSZACIVSA-N 1 2 383.905 2.084 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(F)cc1Br ZINC000278676285 646538051 /nfs/dbraw/zinc/53/80/51/646538051.db2.gz AUUYTDJGTKZXOC-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO Cc1c(Br)ccc(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1F ZINC000278744222 646545288 /nfs/dbraw/zinc/54/52/88/646545288.db2.gz AJLUMLZRHSCYLS-VIFPVBQESA-N 1 2 383.221 2.237 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(F)cc(Br)c1F ZINC000278953266 646566029 /nfs/dbraw/zinc/56/60/29/646566029.db2.gz OPHMZOKFJCMSMQ-JTQLQIEISA-N 1 2 391.260 2.485 20 0 GEADLO C[C@@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC000279026380 646572239 /nfs/dbraw/zinc/57/22/39/646572239.db2.gz WGSNJECCMUOIBC-RXMQYKEDSA-N 1 2 378.298 2.201 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)Nc1ncc(Cn2cc(Br)cn2)s1 ZINC000279068934 646575616 /nfs/dbraw/zinc/57/56/16/646575616.db2.gz TVZUBXSSWIJMTP-GFCCVEGCSA-N 1 2 399.362 2.198 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(O)c(Br)c1 ZINC000279348927 646593744 /nfs/dbraw/zinc/59/37/44/646593744.db2.gz CKNJRMMDLFZZAO-LBPRGKRZSA-N 1 2 386.290 2.017 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cc(F)cc(Br)c1 ZINC000279571532 646612628 /nfs/dbraw/zinc/61/26/28/646612628.db2.gz SXSXUZMEFQGFSU-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cc(F)ccc1Br ZINC000279579824 646613136 /nfs/dbraw/zinc/61/31/36/646613136.db2.gz UKPHDEGLFPMWJM-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(S(C)(=O)=O)CC3)n2)C1 ZINC000279826606 646631071 /nfs/dbraw/zinc/63/10/71/646631071.db2.gz DRBBLBFKYMGDRV-LBPRGKRZSA-N 1 2 386.543 2.074 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(S(C)(=O)=O)CC3)n2)C1 ZINC000279826606 646631076 /nfs/dbraw/zinc/63/10/76/646631076.db2.gz DRBBLBFKYMGDRV-LBPRGKRZSA-N 1 2 386.543 2.074 20 0 GEADLO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000279902074 646638456 /nfs/dbraw/zinc/63/84/56/646638456.db2.gz WADZZBIAZNCBIB-UHFFFAOYSA-N 1 2 377.344 2.283 20 0 GEADLO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000279902074 646638458 /nfs/dbraw/zinc/63/84/58/646638458.db2.gz WADZZBIAZNCBIB-UHFFFAOYSA-N 1 2 377.344 2.283 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000280454309 646683834 /nfs/dbraw/zinc/68/38/34/646683834.db2.gz GMJDWSNFNTZILG-CHWSQXEVSA-N 1 2 385.306 2.267 20 0 GEADLO CN(C)[C@H](C(=O)Nc1ccc(I)cc1)c1c[nH+]cn1C ZINC000280665163 646703591 /nfs/dbraw/zinc/70/35/91/646703591.db2.gz BBOOBEIGWWOOPN-ZDUSSCGKSA-N 1 2 384.221 2.266 20 0 GEADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000280768062 646714520 /nfs/dbraw/zinc/71/45/20/646714520.db2.gz MOLZHVJRLZAPKZ-ZDUSSCGKSA-N 1 2 376.463 2.188 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000280840328 646723998 /nfs/dbraw/zinc/72/39/98/646723998.db2.gz UDPJTVXFZVYQQT-UHFFFAOYSA-N 1 2 390.241 2.482 20 0 GEADLO C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(Br)cn1 ZINC000280886844 646728745 /nfs/dbraw/zinc/72/87/45/646728745.db2.gz NMWOXGHZEHEXOX-GFCCVEGCSA-N 1 2 385.306 2.315 20 0 GEADLO C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(Br)cn1 ZINC000280886844 646728752 /nfs/dbraw/zinc/72/87/52/646728752.db2.gz NMWOXGHZEHEXOX-GFCCVEGCSA-N 1 2 385.306 2.315 20 0 GEADLO CNC(=O)[C@@]1(C)CC[N@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000281123237 646748063 /nfs/dbraw/zinc/74/80/63/646748063.db2.gz NWJSRYNSVNBCBO-KRWDZBQOSA-N 1 2 393.285 2.381 20 0 GEADLO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000281123237 646748067 /nfs/dbraw/zinc/74/80/67/646748067.db2.gz NWJSRYNSVNBCBO-KRWDZBQOSA-N 1 2 393.285 2.381 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)ccc1Br ZINC000281222051 646755456 /nfs/dbraw/zinc/75/54/56/646755456.db2.gz BTQXNSNIEKZWIP-RISCZKNCSA-N 1 2 382.258 2.126 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)ccc1Br ZINC000281222051 646755459 /nfs/dbraw/zinc/75/54/59/646755459.db2.gz BTQXNSNIEKZWIP-RISCZKNCSA-N 1 2 382.258 2.126 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1cc(Cl)ccc1Br ZINC000281701426 646789912 /nfs/dbraw/zinc/78/99/12/646789912.db2.gz PRDHMQUTWCXYAV-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1cc(Cl)ccc1Br ZINC000281701426 646789917 /nfs/dbraw/zinc/78/99/17/646789917.db2.gz PRDHMQUTWCXYAV-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO O=C(NCc1ccc(Br)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000283688479 646827662 /nfs/dbraw/zinc/82/76/62/646827662.db2.gz YMTXUCXKQNIECX-CYBMUJFWSA-N 1 2 391.269 2.195 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000285393582 646855989 /nfs/dbraw/zinc/85/59/89/646855989.db2.gz HRQNZKDAEBLJRK-ZDUSSCGKSA-N 1 2 387.933 2.237 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287350605 646884723 /nfs/dbraw/zinc/88/47/23/646884723.db2.gz NIVCBTKRQAQYLJ-AAEUAGOBSA-N 1 2 398.301 2.096 20 0 GEADLO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000288666678 646923131 /nfs/dbraw/zinc/92/31/31/646923131.db2.gz WBVZYYDNHJEHBN-LKFCYVNXSA-N 1 2 375.281 2.097 20 0 GEADLO COCCOCC[N@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000289108484 646924145 /nfs/dbraw/zinc/92/41/45/646924145.db2.gz VWLIZXZKGMRUHS-UHFFFAOYSA-N 1 2 393.267 2.313 20 0 GEADLO COCCOCC[N@@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000289108484 646924153 /nfs/dbraw/zinc/92/41/53/646924153.db2.gz VWLIZXZKGMRUHS-UHFFFAOYSA-N 1 2 393.267 2.313 20 0 GEADLO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000297822003 647264951 /nfs/dbraw/zinc/26/49/51/647264951.db2.gz KXJNCLWGPKVBJW-NSHDSACASA-N 1 2 395.257 2.130 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cnc(Cl)c(Br)c1 ZINC000297855860 647267393 /nfs/dbraw/zinc/26/73/93/647267393.db2.gz SJHFQMOYCKPEEU-JQWIXIFHSA-N 1 2 388.693 2.433 20 0 GEADLO O=C(c1cnc(Cl)c(Br)c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000320228575 647291524 /nfs/dbraw/zinc/29/15/24/647291524.db2.gz LYAWGLDIJHHPQR-GFCCVEGCSA-N 1 2 388.693 2.434 20 0 GEADLO CCOc1cc(CN2CC[C@@H]([NH+]3CCOCC3)C2)cc(Br)c1O ZINC000322130834 647294433 /nfs/dbraw/zinc/29/44/33/647294433.db2.gz ICLVQQYCKZJEBN-CQSZACIVSA-N 1 2 385.302 2.460 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000331155628 647369082 /nfs/dbraw/zinc/36/90/82/647369082.db2.gz CWKPBOVVGBDMQI-UHFFFAOYSA-N 1 2 382.917 2.359 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000331155628 647369087 /nfs/dbraw/zinc/36/90/87/647369087.db2.gz CWKPBOVVGBDMQI-UHFFFAOYSA-N 1 2 382.917 2.359 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000360640074 647559079 /nfs/dbraw/zinc/55/90/79/647559079.db2.gz WPRBBMOJOMDOEN-KGLIPLIRSA-N 1 2 379.309 2.213 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000361788123 647564438 /nfs/dbraw/zinc/56/44/38/647564438.db2.gz LPSFHBPXBGCHLY-VIFPVBQESA-N 1 2 376.301 2.422 20 0 GEADLO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000362854400 647574961 /nfs/dbraw/zinc/57/49/61/647574961.db2.gz XOLITFNSHIBAGO-NSHDSACASA-N 1 2 378.466 2.445 20 0 GEADLO O=C(NCCc1nc(C(F)(F)F)cs1)C1([NH+]2CCOCC2)CCCC1 ZINC000363578075 647601417 /nfs/dbraw/zinc/60/14/17/647601417.db2.gz YEEDEWSYDIVCTG-UHFFFAOYSA-N 1 2 377.432 2.466 20 0 GEADLO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](CCOCC(F)(F)F)CC1 ZINC000363963183 647614384 /nfs/dbraw/zinc/61/43/84/647614384.db2.gz RVMGZKZAOIYXDB-UHFFFAOYSA-N 1 2 384.395 2.101 20 0 GEADLO O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](CCOCC(F)(F)F)CC1 ZINC000363963183 647614389 /nfs/dbraw/zinc/61/43/89/647614389.db2.gz RVMGZKZAOIYXDB-UHFFFAOYSA-N 1 2 384.395 2.101 20 0 GEADLO O=C(NCc1ccc(Cl)cc1Cl)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000364771162 647641552 /nfs/dbraw/zinc/64/15/52/647641552.db2.gz SWNYVCFOZXAGMU-UHFFFAOYSA-N 1 2 383.279 2.452 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000364944656 647650846 /nfs/dbraw/zinc/65/08/46/647650846.db2.gz OMPFLCVGVPTVMR-GFCCVEGCSA-N 1 2 384.395 2.280 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000364944656 647650848 /nfs/dbraw/zinc/65/08/48/647650848.db2.gz OMPFLCVGVPTVMR-GFCCVEGCSA-N 1 2 384.395 2.280 20 0 GEADLO O=C(NC1CC[NH+](Cc2cscn2)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000365502037 647674785 /nfs/dbraw/zinc/67/47/85/647674785.db2.gz LHIFCPQAQUCROO-UHFFFAOYSA-N 1 2 397.298 2.401 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000365631093 647678389 /nfs/dbraw/zinc/67/83/89/647678389.db2.gz WCBIWWIMUORTMD-CYBMUJFWSA-N 1 2 381.885 2.497 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000365737111 647684348 /nfs/dbraw/zinc/68/43/48/647684348.db2.gz OBGFRSSJVFWJRM-JQFCIGGWSA-N 1 2 388.302 2.235 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000365737111 647684351 /nfs/dbraw/zinc/68/43/51/647684351.db2.gz OBGFRSSJVFWJRM-JQFCIGGWSA-N 1 2 388.302 2.235 20 0 GEADLO CN(C)S(=O)(=O)CC[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000367523078 647735203 /nfs/dbraw/zinc/73/52/03/647735203.db2.gz MAFOYFUQDSHKBI-ZDUSSCGKSA-N 1 2 377.304 2.096 20 0 GEADLO CN(C)S(=O)(=O)CC[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000367523078 647735209 /nfs/dbraw/zinc/73/52/09/647735209.db2.gz MAFOYFUQDSHKBI-ZDUSSCGKSA-N 1 2 377.304 2.096 20 0 GEADLO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368175403 647752669 /nfs/dbraw/zinc/75/26/69/647752669.db2.gz APQGJKIXQMYXAS-CVEARBPZSA-N 1 2 388.295 2.189 20 0 GEADLO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368175403 647752676 /nfs/dbraw/zinc/75/26/76/647752676.db2.gz APQGJKIXQMYXAS-CVEARBPZSA-N 1 2 388.295 2.189 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374325093 647821059 /nfs/dbraw/zinc/82/10/59/647821059.db2.gz CRGMPJGXTXQLSK-LBPRGKRZSA-N 1 2 391.269 2.446 20 0 GEADLO O=C(C[NH+]1CCC(c2cnccn2)CC1)Nc1ccc(Br)cn1 ZINC000376998887 647853311 /nfs/dbraw/zinc/85/33/11/647853311.db2.gz VPKGXIAYQVQJSG-UHFFFAOYSA-N 1 2 376.258 2.452 20 0 GEADLO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000398911826 647900811 /nfs/dbraw/zinc/90/08/11/647900811.db2.gz OISFSDURIFBAHA-NSHDSACASA-N 1 2 397.360 2.208 20 0 GEADLO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000398911826 647900816 /nfs/dbraw/zinc/90/08/16/647900816.db2.gz OISFSDURIFBAHA-NSHDSACASA-N 1 2 397.360 2.208 20 0 GEADLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000408181252 647933503 /nfs/dbraw/zinc/93/35/03/647933503.db2.gz BBNGLEHNYOZROL-CHWSQXEVSA-N 1 2 386.901 2.359 20 0 GEADLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000408181252 647933512 /nfs/dbraw/zinc/93/35/12/647933512.db2.gz BBNGLEHNYOZROL-CHWSQXEVSA-N 1 2 386.901 2.359 20 0 GEADLO Cc1cnn(C)c1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000412247743 648046306 /nfs/dbraw/zinc/04/63/06/648046306.db2.gz HTMUPCMNNJAJHZ-UHFFFAOYSA-N 1 2 376.258 2.420 20 0 GEADLO CS(=O)(=O)N1CCC(Nc2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413039814 648058474 /nfs/dbraw/zinc/05/84/74/648058474.db2.gz IUAJAQXNDIZYEL-UHFFFAOYSA-N 1 2 384.299 2.833 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nccc2cc(Br)ccc21 ZINC000413175229 648062265 /nfs/dbraw/zinc/06/22/65/648062265.db2.gz JOULMRVZLXDJOK-HNNXBMFYSA-N 1 2 380.286 2.127 20 0 GEADLO C[C@@H](O)CNc1cc(NC[C@@H](C)Oc2ccccc2Br)nc[nH+]1 ZINC000413180936 648062480 /nfs/dbraw/zinc/06/24/80/648062480.db2.gz YOBAXYLHXFMHJY-VXGBXAGGSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@@H](O)CNc1cc(NC[C@@H](C)Oc2ccccc2Br)[nH+]cn1 ZINC000413180936 648062488 /nfs/dbraw/zinc/06/24/88/648062488.db2.gz YOBAXYLHXFMHJY-VXGBXAGGSA-N 1 2 381.274 2.911 20 0 GEADLO CCc1nc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cs1 ZINC000414335843 648094896 /nfs/dbraw/zinc/09/48/96/648094896.db2.gz JOYCHTGOEZGJSW-UHFFFAOYSA-N 1 2 390.328 2.405 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)c2cccc(Br)c2Cl)c1 ZINC000416535879 648164006 /nfs/dbraw/zinc/16/40/06/648164006.db2.gz NWAQANKKAMBZTO-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(Cl)c1Cl ZINC000416671413 648207798 /nfs/dbraw/zinc/20/77/98/648207798.db2.gz WGNJRJHLVZGMFY-WDEREUQCSA-N 1 2 397.324 2.078 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(Cl)c1Cl ZINC000416671413 648207800 /nfs/dbraw/zinc/20/78/00/648207800.db2.gz WGNJRJHLVZGMFY-WDEREUQCSA-N 1 2 397.324 2.078 20 0 GEADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(F)cc1I ZINC000418121540 648282777 /nfs/dbraw/zinc/28/27/77/648282777.db2.gz XEZVJOLPUSRAEC-IINYFYTJSA-N 1 2 379.213 2.402 20 0 GEADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(F)cc1I ZINC000418121540 648282782 /nfs/dbraw/zinc/28/27/82/648282782.db2.gz XEZVJOLPUSRAEC-IINYFYTJSA-N 1 2 379.213 2.402 20 0 GEADLO CC[C@H](C[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)OC ZINC000419199091 648341046 /nfs/dbraw/zinc/34/10/46/648341046.db2.gz LIUOBFNOAVBQDH-CQSZACIVSA-N 1 2 380.432 2.437 20 0 GEADLO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419745252 648374353 /nfs/dbraw/zinc/37/43/53/648374353.db2.gz KEQAMPQBNFZHRH-LBPRGKRZSA-N 1 2 392.363 2.307 20 0 GEADLO COC(=O)CNC(=O)C[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421044673 648462963 /nfs/dbraw/zinc/46/29/63/648462963.db2.gz SZGSXTVQPQDSSG-OAHLLOKOSA-N 1 2 383.286 2.135 20 0 GEADLO COC(=O)CNC(=O)C[N@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421044673 648462965 /nfs/dbraw/zinc/46/29/65/648462965.db2.gz SZGSXTVQPQDSSG-OAHLLOKOSA-N 1 2 383.286 2.135 20 0 GEADLO NC(=O)Cn1cc(C[N@@H+]2CCCC[C@H]2Cc2cccc(Br)c2)nn1 ZINC000421399883 648490594 /nfs/dbraw/zinc/49/05/94/648490594.db2.gz AZORDQZVVKPXKU-INIZCTEOSA-N 1 2 392.301 2.123 20 0 GEADLO NC(=O)Cn1cc(C[N@H+]2CCCC[C@H]2Cc2cccc(Br)c2)nn1 ZINC000421399883 648490602 /nfs/dbraw/zinc/49/06/02/648490602.db2.gz AZORDQZVVKPXKU-INIZCTEOSA-N 1 2 392.301 2.123 20 0 GEADLO CS(=O)(=O)c1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000421456461 648493293 /nfs/dbraw/zinc/49/32/93/648493293.db2.gz IMZQKFVXAOOMBY-UHFFFAOYSA-N 1 2 380.491 2.236 20 0 GEADLO [NH3+][C@@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)c1cscn1 ZINC000422984944 648579726 /nfs/dbraw/zinc/57/97/26/648579726.db2.gz BQXPJGFSAIFSBD-CQSZACIVSA-N 1 2 399.303 2.434 20 0 GEADLO COc1cc(CNC(=O)[C@H]([NH3+])c2cscn2)cc(Br)c1OC ZINC000423120002 648582531 /nfs/dbraw/zinc/58/25/31/648582531.db2.gz FMHNWALITOLZSE-GFCCVEGCSA-N 1 2 386.271 2.239 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000425212329 648672459 /nfs/dbraw/zinc/67/24/59/648672459.db2.gz ZWDVZVIHZYPKPP-UHFFFAOYSA-N 1 2 386.480 2.480 20 0 GEADLO COc1nc(N2CCN(Cc3c[nH+]cn3C(C)C)CC2)ncc1Br ZINC000425323151 648672491 /nfs/dbraw/zinc/67/24/91/648672491.db2.gz ILBPECFZOLAKIR-UHFFFAOYSA-N 1 2 395.305 2.347 20 0 GEADLO CCc1nc(C)c(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)s1 ZINC000426681206 648713457 /nfs/dbraw/zinc/71/34/57/648713457.db2.gz VWCMZQNGKRUEAK-UHFFFAOYSA-N 1 2 378.523 2.188 20 0 GEADLO CCc1nc(C)c(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)s1 ZINC000426681206 648713462 /nfs/dbraw/zinc/71/34/62/648713462.db2.gz VWCMZQNGKRUEAK-UHFFFAOYSA-N 1 2 378.523 2.188 20 0 GEADLO C[C@H](C[S@@](C)=O)N(C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428353562 648732916 /nfs/dbraw/zinc/73/29/16/648732916.db2.gz VMOIFSTVNNXPKK-DLUDVSRJSA-N 1 2 386.587 2.012 20 0 GEADLO C[C@@H](Cn1cc(Br)ccc1=O)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000428473595 648734964 /nfs/dbraw/zinc/73/49/64/648734964.db2.gz NAYIGHKUGDUECA-ZDUSSCGKSA-N 1 2 393.285 2.343 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000428488719 648735530 /nfs/dbraw/zinc/73/55/30/648735530.db2.gz YEKKHQLWLIXARZ-UKRRQHHQSA-N 1 2 395.301 2.185 20 0 GEADLO CC[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2O)CC[N@@H+]1C[C@H](C)O ZINC000436852705 648796833 /nfs/dbraw/zinc/79/68/33/648796833.db2.gz AXWIMOXINPFWKO-CMPLNLGQSA-N 1 2 389.265 2.211 20 0 GEADLO CC[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2O)CC[N@H+]1C[C@H](C)O ZINC000436852705 648796837 /nfs/dbraw/zinc/79/68/37/648796837.db2.gz AXWIMOXINPFWKO-CMPLNLGQSA-N 1 2 389.265 2.211 20 0 GEADLO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548639431 651082370 /nfs/dbraw/zinc/08/23/70/651082370.db2.gz PNQJTUIVXDUHLJ-GHMZBOCLSA-N 1 2 381.263 2.439 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CCNC(=O)Cc1c[nH+]cn1C ZINC000548780158 651085876 /nfs/dbraw/zinc/08/58/76/651085876.db2.gz PTADALLYFBPIKJ-UHFFFAOYSA-N 1 2 379.258 2.179 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)CCO1 ZINC000548803557 651086350 /nfs/dbraw/zinc/08/63/50/651086350.db2.gz DEAPEBGMWPBNFX-SNVBAGLBSA-N 1 2 377.229 2.107 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)CCO1 ZINC000548803557 651086351 /nfs/dbraw/zinc/08/63/51/651086351.db2.gz DEAPEBGMWPBNFX-SNVBAGLBSA-N 1 2 377.229 2.107 20 0 GEADLO Cc1ccc(CCC[N@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)cn1 ZINC000549822861 651101439 /nfs/dbraw/zinc/10/14/39/651101439.db2.gz XQQFSRIUZSZRKR-UHFFFAOYSA-N 1 2 375.485 2.314 20 0 GEADLO Cc1ccc(CCC[N@@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)cn1 ZINC000549822861 651101441 /nfs/dbraw/zinc/10/14/41/651101441.db2.gz XQQFSRIUZSZRKR-UHFFFAOYSA-N 1 2 375.485 2.314 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000551399011 651123769 /nfs/dbraw/zinc/12/37/69/651123769.db2.gz ISZATFQGASXWAR-NWDGAFQWSA-N 1 2 383.279 2.442 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCc2ccc(Br)cc2)C1 ZINC000552168346 651142117 /nfs/dbraw/zinc/14/21/17/651142117.db2.gz ARWVPMBHQLROHA-HNNXBMFYSA-N 1 2 397.313 2.383 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCc2ccc(Br)cc2)C1 ZINC000552168346 651142123 /nfs/dbraw/zinc/14/21/23/651142123.db2.gz ARWVPMBHQLROHA-HNNXBMFYSA-N 1 2 397.313 2.383 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCCc2ccccc2Br)CCO1 ZINC000554999506 651216030 /nfs/dbraw/zinc/21/60/30/651216030.db2.gz LVMJLPMJCXGUGS-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCCc2ccccc2Br)CCO1 ZINC000554999506 651216032 /nfs/dbraw/zinc/21/60/32/651216032.db2.gz LVMJLPMJCXGUGS-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ncc(Br)cn1 ZINC000555480569 651227152 /nfs/dbraw/zinc/22/71/52/651227152.db2.gz OVQUUPFYWGMQGN-HNNXBMFYSA-N 1 2 391.269 2.103 20 0 GEADLO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ncc(Br)cn1 ZINC000555480569 651227155 /nfs/dbraw/zinc/22/71/55/651227155.db2.gz OVQUUPFYWGMQGN-HNNXBMFYSA-N 1 2 391.269 2.103 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2C)C1 ZINC000556989120 651259389 /nfs/dbraw/zinc/25/93/89/651259389.db2.gz BWTXIMJMEHBSAY-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2C)C1 ZINC000556989120 651259392 /nfs/dbraw/zinc/25/93/92/651259392.db2.gz BWTXIMJMEHBSAY-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO C[NH+](C)[C@@H](C(=O)N1CCN(CC(F)(F)F)C(=O)C1)c1cccc(Cl)c1 ZINC000557669295 651271835 /nfs/dbraw/zinc/27/18/35/651271835.db2.gz DDZVCDDJTCUEEI-CQSZACIVSA-N 1 2 377.794 2.176 20 0 GEADLO O=C(NC[C@@H]1CCCC(F)(F)C1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000558568339 651281651 /nfs/dbraw/zinc/28/16/51/651281651.db2.gz WVAAMIHXMPPXKX-ZBFHGGJFSA-N 1 2 377.501 2.319 20 0 GEADLO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000559330577 651295604 /nfs/dbraw/zinc/29/56/04/651295604.db2.gz WNYPTGPLASWOON-UHFFFAOYSA-N 1 2 393.285 2.119 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)CCc2ccccc2Br)C[C@H]1C ZINC000643202384 651479319 /nfs/dbraw/zinc/47/93/19/651479319.db2.gz FWEDNUOCCNPHMQ-CYBMUJFWSA-N 1 2 375.332 2.347 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)CCc2ccccc2Br)C[C@H]1C ZINC000643202384 651479323 /nfs/dbraw/zinc/47/93/23/651479323.db2.gz FWEDNUOCCNPHMQ-CYBMUJFWSA-N 1 2 375.332 2.347 20 0 GEADLO COCCC[N@H+](CCOC)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000727422644 651519804 /nfs/dbraw/zinc/51/98/04/651519804.db2.gz SHNXPNMBIWJOAB-MRXNPFEDSA-N 1 2 389.905 2.111 20 0 GEADLO COCCC[N@@H+](CCOC)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000727422644 651519809 /nfs/dbraw/zinc/51/98/09/651519809.db2.gz SHNXPNMBIWJOAB-MRXNPFEDSA-N 1 2 389.905 2.111 20 0 GEADLO CN(C)C(=O)[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000563518383 651528668 /nfs/dbraw/zinc/52/86/68/651528668.db2.gz CUYDGCCPGOWUNP-GWCFXTLKSA-N 1 2 384.263 2.035 20 0 GEADLO CN(C)C(=O)[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000563518383 651528675 /nfs/dbraw/zinc/52/86/75/651528675.db2.gz CUYDGCCPGOWUNP-GWCFXTLKSA-N 1 2 384.263 2.035 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCc3c2cccc3Br)CCO1 ZINC000727941931 651533460 /nfs/dbraw/zinc/53/34/60/651533460.db2.gz MLGSEACQHSRZSN-MLGOLLRUSA-N 1 2 382.302 2.456 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCc3c2cccc3Br)CCO1 ZINC000727941931 651533468 /nfs/dbraw/zinc/53/34/68/651533468.db2.gz MLGSEACQHSRZSN-MLGOLLRUSA-N 1 2 382.302 2.456 20 0 GEADLO CC1(C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)COC1 ZINC000605434521 651536879 /nfs/dbraw/zinc/53/68/79/651536879.db2.gz PNFHRSPFMFHQJI-UHFFFAOYSA-N 1 2 379.309 2.336 20 0 GEADLO O=S(=O)(c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1)C(F)(F)F ZINC000728566060 651546072 /nfs/dbraw/zinc/54/60/72/651546072.db2.gz ARQHWFSFQXKGNJ-LSDHHAIUSA-N 1 2 378.416 2.016 20 0 GEADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000728590619 651548423 /nfs/dbraw/zinc/54/84/23/651548423.db2.gz GGOSJAFWQVHARG-CYBMUJFWSA-N 1 2 383.857 2.349 20 0 GEADLO OC[C@@H]1CCCCN1c1cc(NCCCn2cc(Br)cn2)[nH+]cn1 ZINC000564060304 651553450 /nfs/dbraw/zinc/55/34/50/651553450.db2.gz RGDNHEGWDTVWIN-AWEZNQCLSA-N 1 2 395.305 2.289 20 0 GEADLO OC[C@@H]1CCCCN1c1cc(NCCCn2cc(Br)cn2)nc[nH+]1 ZINC000564060304 651553457 /nfs/dbraw/zinc/55/34/57/651553457.db2.gz RGDNHEGWDTVWIN-AWEZNQCLSA-N 1 2 395.305 2.289 20 0 GEADLO O=C(NCc1n[nH]cc1Br)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000606490019 651555890 /nfs/dbraw/zinc/55/58/90/651555890.db2.gz UTOMBURQURWLBP-UHFFFAOYSA-N 1 2 389.257 2.416 20 0 GEADLO O=C(NCc1n[nH]cc1Br)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000606492905 651556785 /nfs/dbraw/zinc/55/67/85/651556785.db2.gz HJWANVWFWWDIEM-UHFFFAOYSA-N 1 2 393.220 2.496 20 0 GEADLO O=S(=O)(CCOc1ccccc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000564333342 651561766 /nfs/dbraw/zinc/56/17/66/651561766.db2.gz LMVCYGWTSZLVIW-UHFFFAOYSA-N 1 2 380.535 2.317 20 0 GEADLO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2c(F)cccc2Cl)c1 ZINC000729686178 651574483 /nfs/dbraw/zinc/57/44/83/651574483.db2.gz DZFFCAUCXVZQAJ-UHFFFAOYSA-N 1 2 385.848 2.116 20 0 GEADLO O=C(Nc1cnc2c(Br)cccn12)N[C@H]1CCn2cc[nH+]c2C1 ZINC000564883350 651582928 /nfs/dbraw/zinc/58/29/28/651582928.db2.gz PMQGWFRQGZEUFQ-JTQLQIEISA-N 1 2 375.230 2.430 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cn1 ZINC000608019355 651584860 /nfs/dbraw/zinc/58/48/60/651584860.db2.gz FNIPMHVPUVLSFF-UHFFFAOYSA-N 1 2 396.310 2.181 20 0 GEADLO CCOC(=O)COc1c(Br)cc(C)cc1C[NH+]1CC(C)(C(N)=O)C1 ZINC000564991010 651587019 /nfs/dbraw/zinc/58/70/19/651587019.db2.gz VIBUPVUNTOJCQV-UHFFFAOYSA-N 1 2 399.285 2.007 20 0 GEADLO Brc1ccc2nc(CN3CCC[C@@H]3C[NH+]3CCOCC3)cn2c1 ZINC000608510662 651600000 /nfs/dbraw/zinc/60/00/00/651600000.db2.gz XCAJMCPYRSKTMP-MRXNPFEDSA-N 1 2 379.302 2.393 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000609494967 651621092 /nfs/dbraw/zinc/62/10/92/651621092.db2.gz LJZGZEFZOIMIQH-UHFFFAOYSA-N 1 2 399.236 2.008 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc3cc(F)ccc3s2)CC1 ZINC000731649078 651630529 /nfs/dbraw/zinc/63/05/29/651630529.db2.gz XGARVFALJUDCPD-UHFFFAOYSA-N 1 2 384.498 2.279 20 0 GEADLO CSC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000567643300 651631624 /nfs/dbraw/zinc/63/16/24/651631624.db2.gz QAGZWGCYHTXJHN-GJZGRUSLSA-N 1 2 381.929 2.213 20 0 GEADLO CSC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000567643300 651631632 /nfs/dbraw/zinc/63/16/32/651631632.db2.gz QAGZWGCYHTXJHN-GJZGRUSLSA-N 1 2 381.929 2.213 20 0 GEADLO CO[C@H](CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000645632873 651632144 /nfs/dbraw/zinc/63/21/44/651632144.db2.gz SLFGZWVXGJNDTO-BBWFWOEESA-N 1 2 376.469 2.300 20 0 GEADLO CO[C@H](CS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000645632873 651632147 /nfs/dbraw/zinc/63/21/47/651632147.db2.gz SLFGZWVXGJNDTO-BBWFWOEESA-N 1 2 376.469 2.300 20 0 GEADLO COCC(=O)NC1CC[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000609798302 651632312 /nfs/dbraw/zinc/63/23/12/651632312.db2.gz PUHKYNMCYUYEPB-DEOSSOPVSA-N 1 2 393.336 2.328 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000732457652 651657802 /nfs/dbraw/zinc/65/78/02/651657802.db2.gz JNQMBXUFULTDDZ-XHDPSFHLSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000732457652 651657805 /nfs/dbraw/zinc/65/78/05/651657805.db2.gz JNQMBXUFULTDDZ-XHDPSFHLSA-N 1 2 376.284 2.047 20 0 GEADLO O=S(=O)(/C=C/c1ccc(Br)cc1)NCC[NH+]1CCSCC1 ZINC000732815987 651676445 /nfs/dbraw/zinc/67/64/45/651676445.db2.gz ZAQJGMNPWNDKGV-LFYBBSHMSA-N 1 2 391.356 2.388 20 0 GEADLO C[N@H+](CCN1CCOCC1)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000732871766 651678563 /nfs/dbraw/zinc/67/85/63/651678563.db2.gz MWYXHHVFAULNDM-UHFFFAOYSA-N 1 2 387.303 2.325 20 0 GEADLO C[N@@H+](CCN1CCOCC1)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000732871766 651678565 /nfs/dbraw/zinc/67/85/65/651678565.db2.gz MWYXHHVFAULNDM-UHFFFAOYSA-N 1 2 387.303 2.325 20 0 GEADLO Cc1nn(C)c2nc(Cl)c(C[N@H+](CCO)CCOCC(F)(F)F)cc12 ZINC000732874496 651678571 /nfs/dbraw/zinc/67/85/71/651678571.db2.gz GZIMUQLOTWYCSV-UHFFFAOYSA-N 1 2 380.798 2.303 20 0 GEADLO Cc1nn(C)c2nc(Cl)c(C[N@@H+](CCO)CCOCC(F)(F)F)cc12 ZINC000732874496 651678574 /nfs/dbraw/zinc/67/85/74/651678574.db2.gz GZIMUQLOTWYCSV-UHFFFAOYSA-N 1 2 380.798 2.303 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)[C@@H](CS(C)(=O)=O)c1ccccc1)c1cccs1 ZINC000646576727 651703250 /nfs/dbraw/zinc/70/32/50/651703250.db2.gz IUVBNVMOTMSRKV-JKSUJKDBSA-N 1 2 380.535 2.295 20 0 GEADLO CC(C)(CNC(=O)C1=Cc2cc(Br)ccc2OC1)[NH+]1CCOCC1 ZINC000646921940 651728599 /nfs/dbraw/zinc/72/85/99/651728599.db2.gz HJRFKZNQTOOHMQ-UHFFFAOYSA-N 1 2 395.297 2.452 20 0 GEADLO CO[C@@H](CS(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1)C1CCOCC1 ZINC000647272021 651738928 /nfs/dbraw/zinc/73/89/28/651738928.db2.gz XKOPGXPGFIMZMZ-AWEZNQCLSA-N 1 2 382.404 2.222 20 0 GEADLO Cn1cc(C[NH2+][C@H]2CCCOc3ccc(I)cc32)nn1 ZINC000611973463 651740032 /nfs/dbraw/zinc/74/00/32/651740032.db2.gz FTMVTKGLMNDTND-ZDUSSCGKSA-N 1 2 384.221 2.423 20 0 GEADLO O=C(Nc1nn(CC(F)(F)F)cc1Br)C12CCC[NH+]1CCC2 ZINC000570076416 651745051 /nfs/dbraw/zinc/74/50/51/651745051.db2.gz TZFXAFJYSSBXLK-UHFFFAOYSA-N 1 2 381.196 2.775 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000570106816 651747270 /nfs/dbraw/zinc/74/72/70/651747270.db2.gz HOXDOUKTQTXFGV-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000570106816 651747272 /nfs/dbraw/zinc/74/72/72/651747272.db2.gz HOXDOUKTQTXFGV-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@@H]1C[N@H+](C)CCO1 ZINC000612669067 651764699 /nfs/dbraw/zinc/76/46/99/651764699.db2.gz DWQDPISEVPSIRT-BQBZGAKWSA-N 1 2 399.182 2.454 20 0 GEADLO C[C@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000612669067 651764703 /nfs/dbraw/zinc/76/47/03/651764703.db2.gz DWQDPISEVPSIRT-BQBZGAKWSA-N 1 2 399.182 2.454 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(OC(F)F)ccc1Br ZINC000648009199 651769940 /nfs/dbraw/zinc/76/99/40/651769940.db2.gz UYMNGMHXLXDICF-SNVBAGLBSA-N 1 2 399.257 2.303 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(OC(F)F)ccc1Br ZINC000648009199 651769944 /nfs/dbraw/zinc/76/99/44/651769944.db2.gz UYMNGMHXLXDICF-SNVBAGLBSA-N 1 2 399.257 2.303 20 0 GEADLO C[C@H](CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)n1cc(Br)cn1 ZINC000648335166 651779714 /nfs/dbraw/zinc/77/97/14/651779714.db2.gz IXUCINIXIUKENI-TZMCWYRMSA-N 1 2 378.274 2.387 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000648384681 651786606 /nfs/dbraw/zinc/78/66/06/651786606.db2.gz ZGMPJQBAWFBPCS-GFCCVEGCSA-N 1 2 384.299 2.121 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000648384681 651786608 /nfs/dbraw/zinc/78/66/08/651786608.db2.gz ZGMPJQBAWFBPCS-GFCCVEGCSA-N 1 2 384.299 2.121 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613675359 651791902 /nfs/dbraw/zinc/79/19/02/651791902.db2.gz IJEFKFOBCRTDDV-FMKPAKJESA-N 1 2 391.269 2.249 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@@H+]1CCO ZINC000613698077 651792959 /nfs/dbraw/zinc/79/29/59/651792959.db2.gz PRVCAUSQPZMXAG-LBPRGKRZSA-N 1 2 394.269 2.243 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@H+]1CCO ZINC000613698077 651792964 /nfs/dbraw/zinc/79/29/64/651792964.db2.gz PRVCAUSQPZMXAG-LBPRGKRZSA-N 1 2 394.269 2.243 20 0 GEADLO C[C@H]1CN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC[N@@H+]1CCO ZINC000613697502 651793126 /nfs/dbraw/zinc/79/31/26/651793126.db2.gz LBOHPMRXHMLELO-ZETCQYMHSA-N 1 2 399.182 2.144 20 0 GEADLO C[C@H]1CN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC[N@H+]1CCO ZINC000613697502 651793128 /nfs/dbraw/zinc/79/31/28/651793128.db2.gz LBOHPMRXHMLELO-ZETCQYMHSA-N 1 2 399.182 2.144 20 0 GEADLO C[C@@H](CC(=O)NCCc1cn2c([nH+]1)CCCC2)n1cc(Br)cn1 ZINC000648728238 651797664 /nfs/dbraw/zinc/79/76/64/651797664.db2.gz WBCFXVGMXPZIMQ-LBPRGKRZSA-N 1 2 380.290 2.488 20 0 GEADLO C[N@H+](Cc1cnc(CCc2ccccc2)s1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000571032141 651806999 /nfs/dbraw/zinc/80/69/99/651806999.db2.gz JDYXDGNJCIDTGU-INIZCTEOSA-N 1 2 379.551 2.394 20 0 GEADLO C[N@@H+](Cc1cnc(CCc2ccccc2)s1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000571032141 651807001 /nfs/dbraw/zinc/80/70/01/651807001.db2.gz JDYXDGNJCIDTGU-INIZCTEOSA-N 1 2 379.551 2.394 20 0 GEADLO O=C(c1cccc(Br)c1O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000571061881 651809220 /nfs/dbraw/zinc/80/92/20/651809220.db2.gz SDHZNDAQGWCETD-ZDUSSCGKSA-N 1 2 383.286 2.339 20 0 GEADLO COc1ccc(CCC(=O)NCC2([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000614028547 651810206 /nfs/dbraw/zinc/81/02/06/651810206.db2.gz OCOLRLCOUNMMFY-UHFFFAOYSA-N 1 2 397.313 2.371 20 0 GEADLO COc1cc(Br)c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1OC ZINC000649124125 651816072 /nfs/dbraw/zinc/81/60/72/651816072.db2.gz WCVXJVWDNYTLQM-LBPRGKRZSA-N 1 2 399.285 2.013 20 0 GEADLO COc1ccc(Br)cc1CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000571196472 651816425 /nfs/dbraw/zinc/81/64/25/651816425.db2.gz NYWJXYFLWJQONM-LLVKDONJSA-N 1 2 377.229 2.361 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000649467658 651827209 /nfs/dbraw/zinc/82/72/09/651827209.db2.gz HDQFBISIUHXLGA-STQMWFEESA-N 1 2 376.906 2.126 20 0 GEADLO CS(=O)(=O)c1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)s1 ZINC000614668517 651831640 /nfs/dbraw/zinc/83/16/40/651831640.db2.gz FAKAOSKDMVCURG-UHFFFAOYSA-N 1 2 399.563 2.386 20 0 GEADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615127338 651850279 /nfs/dbraw/zinc/85/02/79/651850279.db2.gz QNUGOQVKYYZLSO-GXTWGEPZSA-N 1 2 391.269 2.283 20 0 GEADLO Clc1ccc(N2CCC[N@H+](Cc3cscn3)CC2)nc1-c1nn[nH]n1 ZINC000737574616 651853870 /nfs/dbraw/zinc/85/38/70/651853870.db2.gz IFSHIMAZTDAMOY-UHFFFAOYSA-N 1 2 376.877 2.084 20 0 GEADLO Clc1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)nc1-c1nn[nH]n1 ZINC000737574616 651853874 /nfs/dbraw/zinc/85/38/74/651853874.db2.gz IFSHIMAZTDAMOY-UHFFFAOYSA-N 1 2 376.877 2.084 20 0 GEADLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000615462716 651865783 /nfs/dbraw/zinc/86/57/83/651865783.db2.gz GNMIVJDGTNXCQE-UHFFFAOYSA-N 1 2 384.318 2.254 20 0 GEADLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000615462716 651865787 /nfs/dbraw/zinc/86/57/87/651865787.db2.gz GNMIVJDGTNXCQE-UHFFFAOYSA-N 1 2 384.318 2.254 20 0 GEADLO O=C(COc1ccccc1Br)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615543083 651866334 /nfs/dbraw/zinc/86/63/34/651866334.db2.gz HNVOLEKKRMZXRU-CQSZACIVSA-N 1 2 383.286 2.151 20 0 GEADLO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615547500 651867319 /nfs/dbraw/zinc/86/73/19/651867319.db2.gz LSGKBGADIKQMNC-CYBMUJFWSA-N 1 2 393.285 2.262 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651279968 651878957 /nfs/dbraw/zinc/87/89/57/651878957.db2.gz YGBKONLTSLSWOL-HIFRSBDPSA-N 1 2 396.329 2.067 20 0 GEADLO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000651490121 651882969 /nfs/dbraw/zinc/88/29/69/651882969.db2.gz AVRFTMBILOQUTR-LSDHHAIUSA-N 1 2 395.297 2.248 20 0 GEADLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 ZINC000572334403 651885737 /nfs/dbraw/zinc/88/57/37/651885737.db2.gz ZFLHDYAETKNUJY-LBPRGKRZSA-N 1 2 385.917 2.330 20 0 GEADLO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](N4CCOCC4)C3)o2)o1 ZINC000572540012 651898772 /nfs/dbraw/zinc/89/87/72/651898772.db2.gz RJAZQLWEXWGAPB-LBPRGKRZSA-N 1 2 397.273 2.389 20 0 GEADLO Brc1ccc(-c2nnc(C[N@H+]3CCC[C@H](N4CCOCC4)C3)o2)o1 ZINC000572540012 651898778 /nfs/dbraw/zinc/89/87/78/651898778.db2.gz RJAZQLWEXWGAPB-LBPRGKRZSA-N 1 2 397.273 2.389 20 0 GEADLO Brc1ccc(-c2nnc(CN3CCC[C@H]([NH+]4CCOCC4)C3)o2)o1 ZINC000572540012 651898783 /nfs/dbraw/zinc/89/87/83/651898783.db2.gz RJAZQLWEXWGAPB-LBPRGKRZSA-N 1 2 397.273 2.389 20 0 GEADLO COC(=O)c1cncc(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c1 ZINC000572694781 651905241 /nfs/dbraw/zinc/90/52/41/651905241.db2.gz MTQRCIKOLGUPDS-UHFFFAOYSA-N 1 2 383.857 2.384 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cccc(C)c2Br)CC1 ZINC000652998941 651931026 /nfs/dbraw/zinc/93/10/26/651931026.db2.gz FLFLVIPNHJQDHU-UHFFFAOYSA-N 1 2 385.302 2.178 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2ccc(Br)c(C)c2)CC1 ZINC000652999042 651931052 /nfs/dbraw/zinc/93/10/52/651931052.db2.gz JBVCPDUKIPWLMV-UHFFFAOYSA-N 1 2 385.302 2.178 20 0 GEADLO Cc1nc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)sc1C(F)(F)F ZINC000573149266 651937478 /nfs/dbraw/zinc/93/74/78/651937478.db2.gz ZZDSMRQGMOVNHS-UHFFFAOYSA-N 1 2 375.376 2.202 20 0 GEADLO CCO[C@H]1C[C@H](O)C12CC[NH+](CCS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000741256387 651942543 /nfs/dbraw/zinc/94/25/43/651942543.db2.gz QYVDEBDHVBFFRW-IRXDYDNUSA-N 1 2 387.929 2.366 20 0 GEADLO COc1cc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1Br ZINC000573325000 651947754 /nfs/dbraw/zinc/94/77/54/651947754.db2.gz YYTLEMVYMDEBHK-BETUJISGSA-N 1 2 384.274 2.442 20 0 GEADLO COc1cc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1Br ZINC000573325000 651947756 /nfs/dbraw/zinc/94/77/56/651947756.db2.gz YYTLEMVYMDEBHK-BETUJISGSA-N 1 2 384.274 2.442 20 0 GEADLO CO[C@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1Br ZINC000653769562 651953370 /nfs/dbraw/zinc/95/33/70/651953370.db2.gz LPQUDXXTUYDGBZ-BBRMVZONSA-N 1 2 385.302 2.316 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000617739961 651969019 /nfs/dbraw/zinc/96/90/19/651969019.db2.gz ABIYVXMEOMSLMY-OLZOCXBDSA-N 1 2 395.297 2.450 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000617739961 651969026 /nfs/dbraw/zinc/96/90/26/651969026.db2.gz ABIYVXMEOMSLMY-OLZOCXBDSA-N 1 2 395.297 2.450 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)CO1 ZINC000617736037 651969106 /nfs/dbraw/zinc/96/91/06/651969106.db2.gz VWOXQJXDHHSLAZ-RYUDHWBXSA-N 1 2 385.295 2.409 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)CO1 ZINC000617736037 651969112 /nfs/dbraw/zinc/96/91/12/651969112.db2.gz VWOXQJXDHHSLAZ-RYUDHWBXSA-N 1 2 385.295 2.409 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)CSc2ccc(C(F)(F)F)cn2)[C@@H](C)CO1 ZINC000617743406 651969731 /nfs/dbraw/zinc/96/97/31/651969731.db2.gz JEXJTCMGGLOOGB-NWDGAFQWSA-N 1 2 377.432 2.418 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)CSc2ccc(C(F)(F)F)cn2)[C@@H](C)CO1 ZINC000617743406 651969735 /nfs/dbraw/zinc/96/97/35/651969735.db2.gz JEXJTCMGGLOOGB-NWDGAFQWSA-N 1 2 377.432 2.418 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)COc2ccc(F)cc2Br)[C@H](C)CO1 ZINC000617743748 651969866 /nfs/dbraw/zinc/96/98/66/651969866.db2.gz NJJTXYKSVMDFCW-VXGBXAGGSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)COc2ccc(F)cc2Br)[C@H](C)CO1 ZINC000617743748 651969872 /nfs/dbraw/zinc/96/98/72/651969872.db2.gz NJJTXYKSVMDFCW-VXGBXAGGSA-N 1 2 389.265 2.192 20 0 GEADLO CO[C@@H]1COC[C@H]1n1cc(C[NH2+]Cc2cnc(-c3ccsc3)s2)nn1 ZINC000573647732 651970665 /nfs/dbraw/zinc/97/06/65/651970665.db2.gz RVXMRMJZFBVAIC-HUUCEWRRSA-N 1 2 377.495 2.339 20 0 GEADLO CO[C@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1Br ZINC000655129916 651980031 /nfs/dbraw/zinc/98/00/31/651980031.db2.gz DYPXFBVXZPMNHB-ZENOOKHLSA-N 1 2 383.286 2.116 20 0 GEADLO CO[C@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1Br ZINC000655129916 651980037 /nfs/dbraw/zinc/98/00/37/651980037.db2.gz DYPXFBVXZPMNHB-ZENOOKHLSA-N 1 2 383.286 2.116 20 0 GEADLO CO[C@@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1Br ZINC000655129915 651980166 /nfs/dbraw/zinc/98/01/66/651980166.db2.gz DYPXFBVXZPMNHB-DVOMOZLQSA-N 1 2 383.286 2.116 20 0 GEADLO CO[C@@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1Br ZINC000655129915 651980170 /nfs/dbraw/zinc/98/01/70/651980170.db2.gz DYPXFBVXZPMNHB-DVOMOZLQSA-N 1 2 383.286 2.116 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1SC(=N)NC1=O)c1ccccc1Cl ZINC000742512490 651990740 /nfs/dbraw/zinc/99/07/40/651990740.db2.gz YHSZKNUVQARVRB-KBPBESRZSA-N 1 2 382.917 2.396 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)CC1SC(=N)NC1=O)c1ccccc1Cl ZINC000742512490 651990745 /nfs/dbraw/zinc/99/07/45/651990745.db2.gz YHSZKNUVQARVRB-KBPBESRZSA-N 1 2 382.917 2.396 20 0 GEADLO CC1(C)C[NH+](CC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000573980801 651993086 /nfs/dbraw/zinc/99/30/86/651993086.db2.gz SWSXVJCPOIOKDH-AWEZNQCLSA-N 1 2 380.286 2.012 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H](O)[C@H]3C)[nH+]c12 ZINC000655794676 652011670 /nfs/dbraw/zinc/01/16/70/652011670.db2.gz RDLQWBBLYRJMEL-BXUZGUMPSA-N 1 2 381.274 2.112 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)s1 ZINC000618454780 652017436 /nfs/dbraw/zinc/01/74/36/652017436.db2.gz WEBDQUALOPIFAF-DGCLKSJQSA-N 1 2 385.511 2.119 20 0 GEADLO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000656255399 652028852 /nfs/dbraw/zinc/02/88/52/652028852.db2.gz MHXGPJQODPPMPT-INIZCTEOSA-N 1 2 390.285 2.153 20 0 GEADLO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000656255399 652028871 /nfs/dbraw/zinc/02/88/71/652028871.db2.gz MHXGPJQODPPMPT-INIZCTEOSA-N 1 2 390.285 2.153 20 0 GEADLO [NH3+][C@@H](C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1cscn1 ZINC000574634959 652032557 /nfs/dbraw/zinc/03/25/57/652032557.db2.gz VXDQOSYUQFCSDD-SNVBAGLBSA-N 1 2 379.795 2.438 20 0 GEADLO C[C@@H](NCc1c(F)ccc(I)c1F)[C@@H]1C[N@H+](C)CCO1 ZINC000619427695 652057902 /nfs/dbraw/zinc/05/79/02/652057902.db2.gz AEWQEUCXKWHXDJ-RNCFNFMXSA-N 1 2 396.219 2.378 20 0 GEADLO C[C@@H](NCc1c(F)ccc(I)c1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000619427695 652057911 /nfs/dbraw/zinc/05/79/11/652057911.db2.gz AEWQEUCXKWHXDJ-RNCFNFMXSA-N 1 2 396.219 2.378 20 0 GEADLO O=S(=O)(NC[C@@H]1CC[NH2+]CC1(F)F)c1ccc(F)c(C(F)(F)F)c1 ZINC000575123013 652063517 /nfs/dbraw/zinc/06/35/17/652063517.db2.gz PNWLMPGTEVPOAL-QMMMGPOBSA-N 1 2 376.322 2.368 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)c2ncccc2Br)C[C@H]1n1cc[nH+]c1 ZINC000656934643 652067448 /nfs/dbraw/zinc/06/74/48/652067448.db2.gz KDAOBHDLDJQFHI-WCQYABFASA-N 1 2 385.287 2.312 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656950006 652073311 /nfs/dbraw/zinc/07/33/11/652073311.db2.gz XSKGUDWACOBYBF-QWRGUYRKSA-N 1 2 379.295 2.442 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656950006 652073314 /nfs/dbraw/zinc/07/33/14/652073314.db2.gz XSKGUDWACOBYBF-QWRGUYRKSA-N 1 2 379.295 2.442 20 0 GEADLO CSCC[C@H]([NH2+]Cc1ncc(I)s1)C(=O)N(C)C ZINC000575786999 652077885 /nfs/dbraw/zinc/07/78/85/652077885.db2.gz BFAKVSKGKCJRGD-QMMMGPOBSA-N 1 2 399.323 2.047 20 0 GEADLO CNC(=O)CC1CC[NH+](Cn2c(=O)oc3cc(Br)ccc32)CC1 ZINC000746384633 652102945 /nfs/dbraw/zinc/10/29/45/652102945.db2.gz DVBJBDJUGLYRKH-UHFFFAOYSA-N 1 2 382.258 2.163 20 0 GEADLO CC(C)[C@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC[NH2+]1 ZINC000621154477 652133319 /nfs/dbraw/zinc/13/33/19/652133319.db2.gz MBGRJZCSWVLDKC-OAHLLOKOSA-N 1 2 378.270 2.361 20 0 GEADLO Cc1cccn2cc(CCNS(=O)(=O)c3cncc(Br)c3)[nH+]c12 ZINC000747283305 652155551 /nfs/dbraw/zinc/15/55/51/652155551.db2.gz GRXBXTPVQBUHQH-UHFFFAOYSA-N 1 2 395.282 2.321 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H](CS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000577256246 652173413 /nfs/dbraw/zinc/17/34/13/652173413.db2.gz NZYQGDSPLNITEC-CJNGLKHVSA-N 1 2 387.933 2.019 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N1CC[C@H](CS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000577256245 652173481 /nfs/dbraw/zinc/17/34/81/652173481.db2.gz NZYQGDSPLNITEC-BBRMVZONSA-N 1 2 387.933 2.019 20 0 GEADLO COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)C(=O)Cn1cc[nH+]c1 ZINC000577263995 652174011 /nfs/dbraw/zinc/17/40/11/652174011.db2.gz KAPZHVANVXMZGH-OAHLLOKOSA-N 1 2 396.241 2.027 20 0 GEADLO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000657590293 652176734 /nfs/dbraw/zinc/17/67/34/652176734.db2.gz BNZYZBHPVUIYGR-UHFFFAOYSA-N 1 2 384.249 2.142 20 0 GEADLO CC(=O)N[C@H](CC(=O)OCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000747781475 652178677 /nfs/dbraw/zinc/17/86/77/652178677.db2.gz LOCLXBZGQHVCQC-OAHLLOKOSA-N 1 2 380.242 2.493 20 0 GEADLO Cn1c[nH+]cc1COC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000747781634 652178693 /nfs/dbraw/zinc/17/86/93/652178693.db2.gz AAMFWBNXUFMBDC-UHFFFAOYSA-N 1 2 376.463 2.405 20 0 GEADLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC000657604046 652178820 /nfs/dbraw/zinc/17/88/20/652178820.db2.gz LHYSHLOAQDLURM-OLZOCXBDSA-N 1 2 382.707 2.313 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(SC)ccc2Cl)CC1 ZINC000657703851 652194115 /nfs/dbraw/zinc/19/41/15/652194115.db2.gz QGPUYBLCLQZULZ-UHFFFAOYSA-N 1 2 385.917 2.181 20 0 GEADLO CC(C)NS(=O)(=O)c1cccnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000577577661 652198149 /nfs/dbraw/zinc/19/81/49/652198149.db2.gz ODPVYJJRMABTES-UHFFFAOYSA-N 1 2 380.539 2.152 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000748457047 652203346 /nfs/dbraw/zinc/20/33/46/652203346.db2.gz DPRNAFHTBUOMQL-HNNXBMFYSA-N 1 2 389.279 2.216 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000748457047 652203349 /nfs/dbraw/zinc/20/33/49/652203349.db2.gz DPRNAFHTBUOMQL-HNNXBMFYSA-N 1 2 389.279 2.216 20 0 GEADLO Cc1nc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)nn1-c1c(Cl)cccc1Cl ZINC000623268763 652230183 /nfs/dbraw/zinc/23/01/83/652230183.db2.gz VNVKOTPVTWJWEV-SNVBAGLBSA-N 1 2 377.235 2.434 20 0 GEADLO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623281318 652231271 /nfs/dbraw/zinc/23/12/71/652231271.db2.gz RXOVULHVJNHUSO-LBPRGKRZSA-N 1 2 392.253 2.358 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000623296788 652232593 /nfs/dbraw/zinc/23/25/93/652232593.db2.gz QFDNJUZLCOQIRW-BMFZPTHFSA-N 1 2 391.269 2.249 20 0 GEADLO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCC(n2cc[nH+]c2)CC1 ZINC000749100312 652235206 /nfs/dbraw/zinc/23/52/06/652235206.db2.gz XUKYSISWEDJRAJ-UHFFFAOYSA-N 1 2 383.905 2.275 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](NCc2nc(C(N)=O)cs2)c2ccc(Cl)cc2)C1 ZINC000658233225 652245955 /nfs/dbraw/zinc/24/59/55/652245955.db2.gz PFIACNWYBLUJPX-HOCLYGCPSA-N 1 2 380.901 2.057 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](NCc2nc(C(N)=O)cs2)c2ccc(Cl)cc2)C1 ZINC000658233225 652245961 /nfs/dbraw/zinc/24/59/61/652245961.db2.gz PFIACNWYBLUJPX-HOCLYGCPSA-N 1 2 380.901 2.057 20 0 GEADLO O=C(COC(=O)c1cccc(Cl)n1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000750163744 652284353 /nfs/dbraw/zinc/28/43/53/652284353.db2.gz BDXLNLXUKOIIFO-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO O=C(COC(=O)c1cccc(Cl)n1)N1CC[NH+](Cc2cccs2)CC1 ZINC000750165241 652284820 /nfs/dbraw/zinc/28/48/20/652284820.db2.gz SENPZIBMUGARSC-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO Cc1ncc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1C ZINC000624817551 652304959 /nfs/dbraw/zinc/30/49/59/652304959.db2.gz HAWYQUYQDHJIJD-UHFFFAOYSA-N 1 2 382.917 2.279 20 0 GEADLO Cc1ncc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)n1C ZINC000624817551 652304968 /nfs/dbraw/zinc/30/49/68/652304968.db2.gz HAWYQUYQDHJIJD-UHFFFAOYSA-N 1 2 382.917 2.279 20 0 GEADLO CC[C@H](NC(=O)C(=O)NCCn1cc[nH+]c1)c1cc(F)cc(Br)c1 ZINC000579028876 652312653 /nfs/dbraw/zinc/31/26/53/652312653.db2.gz RTNMPRJCQHDSAG-AWEZNQCLSA-N 1 2 397.248 2.168 20 0 GEADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000579210789 652325386 /nfs/dbraw/zinc/32/53/86/652325386.db2.gz XJFBQCRGIRGQFD-UHFFFAOYSA-N 1 2 383.857 2.138 20 0 GEADLO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1nc(C)c(Br)s1 ZINC000579267924 652329771 /nfs/dbraw/zinc/32/97/71/652329771.db2.gz GCRNLGXWVPIBBB-JTQLQIEISA-N 1 2 382.349 2.367 20 0 GEADLO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1nc(C)c(Br)s1 ZINC000579267924 652329775 /nfs/dbraw/zinc/32/97/75/652329775.db2.gz GCRNLGXWVPIBBB-JTQLQIEISA-N 1 2 382.349 2.367 20 0 GEADLO COCC[N@@H+]1CCCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1 ZINC000751218819 652331584 /nfs/dbraw/zinc/33/15/84/652331584.db2.gz JUKDYUJDCXCKMG-UHFFFAOYSA-N 1 2 384.395 2.278 20 0 GEADLO COCC[N@H+]1CCCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1 ZINC000751218819 652331587 /nfs/dbraw/zinc/33/15/87/652331587.db2.gz JUKDYUJDCXCKMG-UHFFFAOYSA-N 1 2 384.395 2.278 20 0 GEADLO COc1c(N)[nH+]cnc1N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000579494900 652341735 /nfs/dbraw/zinc/34/17/35/652341735.db2.gz FLOHFJKTXMWRDQ-UHFFFAOYSA-N 1 2 378.274 2.152 20 0 GEADLO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000625328828 652343326 /nfs/dbraw/zinc/34/33/26/652343326.db2.gz ZKTGSKSUNILDLJ-DOTOQJQBSA-N 1 2 381.270 2.194 20 0 GEADLO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000625328828 652343328 /nfs/dbraw/zinc/34/33/28/652343328.db2.gz ZKTGSKSUNILDLJ-DOTOQJQBSA-N 1 2 381.270 2.194 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625338059 652344861 /nfs/dbraw/zinc/34/48/61/652344861.db2.gz XCPVNKUIIDNGHY-UOAMXJAYSA-N 1 2 392.341 2.087 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000751419549 652346795 /nfs/dbraw/zinc/34/67/95/652346795.db2.gz VSAVGTRODQDBED-CQSZACIVSA-N 1 2 379.309 2.071 20 0 GEADLO Brc1cc(CN2CC[NH+](Cc3cn[nH]c3)CC2)cc2c1OCO2 ZINC000625477724 652348636 /nfs/dbraw/zinc/34/86/36/652348636.db2.gz QTVLSLOKNPSVKY-UHFFFAOYSA-N 1 2 379.258 2.219 20 0 GEADLO NC(=O)[C@@H](OC(=O)CCc1ccc(N)[nH+]c1)c1ccc(Br)cc1F ZINC000751441248 652350882 /nfs/dbraw/zinc/35/08/82/652350882.db2.gz AXLOJLSJULYDCX-HNNXBMFYSA-N 1 2 396.216 2.268 20 0 GEADLO NC(=O)[C@H](OC(=O)CCc1ccc(N)[nH+]c1)c1ccc(Br)cc1F ZINC000751441249 652350954 /nfs/dbraw/zinc/35/09/54/652350954.db2.gz AXLOJLSJULYDCX-OAHLLOKOSA-N 1 2 396.216 2.268 20 0 GEADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2coc(S(N)(=O)=O)c2)CC1 ZINC000659826506 652367186 /nfs/dbraw/zinc/36/71/86/652367186.db2.gz MIXMDGLGXBWMTA-ZDUSSCGKSA-N 1 2 383.901 2.459 20 0 GEADLO C[C@H]1CN(CC[NH+]2CCN(c3ccc(Br)cn3)CC2)C[C@H](C)O1 ZINC000659825627 652367223 /nfs/dbraw/zinc/36/72/23/652367223.db2.gz CPGLBSSDXBDDHL-GJZGRUSLSA-N 1 2 383.334 2.075 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000626168668 652382938 /nfs/dbraw/zinc/38/29/38/652382938.db2.gz XAEDSYWESMOJKU-LBPRGKRZSA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000626168668 652382941 /nfs/dbraw/zinc/38/29/41/652382941.db2.gz XAEDSYWESMOJKU-LBPRGKRZSA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000626169145 652383251 /nfs/dbraw/zinc/38/32/51/652383251.db2.gz GUBPVTQMKQVMJC-INIZCTEOSA-N 1 2 379.551 2.495 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000626169145 652383256 /nfs/dbraw/zinc/38/32/56/652383256.db2.gz GUBPVTQMKQVMJC-INIZCTEOSA-N 1 2 379.551 2.495 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000626169813 652383911 /nfs/dbraw/zinc/38/39/11/652383911.db2.gz SMOZKVNGYQQNFH-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000626169813 652383913 /nfs/dbraw/zinc/38/39/13/652383913.db2.gz SMOZKVNGYQQNFH-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660388664 652400717 /nfs/dbraw/zinc/40/07/17/652400717.db2.gz CDICYIXOEFZVDJ-VPJDZLOFSA-N 1 2 391.269 2.094 20 0 GEADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660388664 652400721 /nfs/dbraw/zinc/40/07/21/652400721.db2.gz CDICYIXOEFZVDJ-VPJDZLOFSA-N 1 2 391.269 2.094 20 0 GEADLO C[C@H](CN1CCOCC1)[N@H+](C)CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660438140 652401873 /nfs/dbraw/zinc/40/18/73/652401873.db2.gz SBGZBZVTISZMSQ-GFCCVEGCSA-N 1 2 395.301 2.161 20 0 GEADLO C[C@H](CN1CCOCC1)[N@@H+](C)CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660438140 652401874 /nfs/dbraw/zinc/40/18/74/652401874.db2.gz SBGZBZVTISZMSQ-GFCCVEGCSA-N 1 2 395.301 2.161 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc3cccc(Cl)c3o2)CC1 ZINC000753299616 652403181 /nfs/dbraw/zinc/40/31/81/652403181.db2.gz PEHIIUGRXQMLBB-UHFFFAOYSA-N 1 2 384.885 2.325 20 0 GEADLO C[NH+](C)Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)nc2)ccc1Cl ZINC000626857816 652406521 /nfs/dbraw/zinc/40/65/21/652406521.db2.gz NCVLNUXVBKMNJN-UHFFFAOYSA-N 1 2 382.873 2.420 20 0 GEADLO CCN1OC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)C1=O ZINC000660597060 652407902 /nfs/dbraw/zinc/40/79/02/652407902.db2.gz QIWUKRPARWLFMF-SMDDNHRTSA-N 1 2 387.274 2.023 20 0 GEADLO C[C@@H](Cc1ccccc1Br)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660892381 652413722 /nfs/dbraw/zinc/41/37/22/652413722.db2.gz IVBRZEYXBRRUDK-GOEBONIOSA-N 1 2 396.329 2.496 20 0 GEADLO COc1cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)ccc1Br ZINC000627155318 652416268 /nfs/dbraw/zinc/41/62/68/652416268.db2.gz SCYJRMKGRHXIKC-OCCSQVGLSA-N 1 2 383.286 2.393 20 0 GEADLO Cc1ccc(Br)cc1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661052400 652417852 /nfs/dbraw/zinc/41/78/52/652417852.db2.gz VICGNAWZBWAJDO-MRXNPFEDSA-N 1 2 382.302 2.374 20 0 GEADLO Cc1ccccc1NC(=O)CC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661185802 652422430 /nfs/dbraw/zinc/42/24/30/652422430.db2.gz CPTQVAWQWPJSRK-JSGCOSHPSA-N 1 2 378.416 2.231 20 0 GEADLO Cc1ccccc1NC(=O)CC[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661185802 652422436 /nfs/dbraw/zinc/42/24/36/652422436.db2.gz CPTQVAWQWPJSRK-JSGCOSHPSA-N 1 2 378.416 2.231 20 0 GEADLO CS(=O)(=O)[C@@H]1C[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000661190467 652423111 /nfs/dbraw/zinc/42/31/11/652423111.db2.gz DHONHAXHWUXCHM-BFHYXJOUSA-N 1 2 385.835 2.151 20 0 GEADLO CS(=O)(=O)[C@@H]1C[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000661190467 652423115 /nfs/dbraw/zinc/42/31/15/652423115.db2.gz DHONHAXHWUXCHM-BFHYXJOUSA-N 1 2 385.835 2.151 20 0 GEADLO CSc1nc(NC[C@@]2([NH+]3CCOCC3)CCSC2)cc(C(F)F)n1 ZINC000582073252 652434354 /nfs/dbraw/zinc/43/43/54/652434354.db2.gz YJVBOLDCXKTHSO-HNNXBMFYSA-N 1 2 376.498 2.756 20 0 GEADLO C[C@@H]1C[NH+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H](C)C1O ZINC000661628811 652436198 /nfs/dbraw/zinc/43/61/98/652436198.db2.gz VYYZCCVNPAXAIH-VXGBXAGGSA-N 1 2 376.316 2.172 20 0 GEADLO CCS(=O)(=O)C1(CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000661993966 652444574 /nfs/dbraw/zinc/44/45/74/652444574.db2.gz SYUWTNZSVKNZFX-HNNXBMFYSA-N 1 2 387.933 2.209 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662015326 652445004 /nfs/dbraw/zinc/44/50/04/652445004.db2.gz WSPUOISQDCQQLB-IUODEOHRSA-N 1 2 397.317 2.464 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662015326 652445005 /nfs/dbraw/zinc/44/50/05/652445005.db2.gz WSPUOISQDCQQLB-IUODEOHRSA-N 1 2 397.317 2.464 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000662018508 652445544 /nfs/dbraw/zinc/44/55/44/652445544.db2.gz ZHPAKAXWJJOYRD-ZDUSSCGKSA-N 1 2 398.301 2.408 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000662018508 652445547 /nfs/dbraw/zinc/44/55/47/652445547.db2.gz ZHPAKAXWJJOYRD-ZDUSSCGKSA-N 1 2 398.301 2.408 20 0 GEADLO O[C@@H](COC[C@@H]1CCCO1)C[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000662200435 652451694 /nfs/dbraw/zinc/45/16/94/652451694.db2.gz BCNWBVJEYOZGAB-CVEARBPZSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@@H](COC[C@@H]1CCCO1)C[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000662200435 652451695 /nfs/dbraw/zinc/45/16/95/652451695.db2.gz BCNWBVJEYOZGAB-CVEARBPZSA-N 1 2 386.286 2.200 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C2 ZINC000662227913 652453977 /nfs/dbraw/zinc/45/39/77/652453977.db2.gz XIHODHRNQRMHHC-AWEZNQCLSA-N 1 2 386.926 2.011 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)C2 ZINC000662227913 652453981 /nfs/dbraw/zinc/45/39/81/652453981.db2.gz XIHODHRNQRMHHC-AWEZNQCLSA-N 1 2 386.926 2.011 20 0 GEADLO Cc1[nH+]ccn1CCCNC(=O)c1cccc(I)c1O ZINC000755098941 652456951 /nfs/dbraw/zinc/45/69/51/652456951.db2.gz IFSJODYCZUHUBM-UHFFFAOYSA-N 1 2 385.205 2.322 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2OC)C1 ZINC000628495858 652459557 /nfs/dbraw/zinc/45/95/57/652459557.db2.gz BTRCIMFVOHOTRW-LBPRGKRZSA-N 1 2 391.331 2.219 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2OC)C1 ZINC000628495858 652459560 /nfs/dbraw/zinc/45/95/60/652459560.db2.gz BTRCIMFVOHOTRW-LBPRGKRZSA-N 1 2 391.331 2.219 20 0 GEADLO Oc1c(Br)cc(C[NH2+]CCN2CC[C@H](O)C2)cc1Br ZINC000628498518 652460030 /nfs/dbraw/zinc/46/00/30/652460030.db2.gz PTAWVBGPQXGXAR-JTQLQIEISA-N 1 2 394.107 2.073 20 0 GEADLO Cc1ccc(Br)c(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000582832489 652463198 /nfs/dbraw/zinc/46/31/98/652463198.db2.gz FNGULFGJCHEVKC-GASCZTMLSA-N 1 2 382.302 2.420 20 0 GEADLO Cc1ccc(Br)c(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000582832489 652463203 /nfs/dbraw/zinc/46/32/03/652463203.db2.gz FNGULFGJCHEVKC-GASCZTMLSA-N 1 2 382.302 2.420 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1c(Cl)cccc1Cl ZINC000628578418 652463599 /nfs/dbraw/zinc/46/35/99/652463599.db2.gz JCZNNGOPOZUAIT-SFHVURJKSA-N 1 2 387.307 2.268 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1c(Cl)cccc1Cl ZINC000628578418 652463601 /nfs/dbraw/zinc/46/36/01/652463601.db2.gz JCZNNGOPOZUAIT-SFHVURJKSA-N 1 2 387.307 2.268 20 0 GEADLO O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000662539124 652466507 /nfs/dbraw/zinc/46/65/07/652466507.db2.gz PIJKCRVYPMGMLI-SSDOTTSWSA-N 1 2 399.270 2.222 20 0 GEADLO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000628678125 652466973 /nfs/dbraw/zinc/46/69/73/652466973.db2.gz XLWOHVLVAIEPQS-HOCLYGCPSA-N 1 2 383.286 2.452 20 0 GEADLO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000628678125 652466976 /nfs/dbraw/zinc/46/69/76/652466976.db2.gz XLWOHVLVAIEPQS-HOCLYGCPSA-N 1 2 383.286 2.452 20 0 GEADLO Cc1nc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)ccc1I ZINC000583324862 652481409 /nfs/dbraw/zinc/48/14/09/652481409.db2.gz NYBONXRGHHERFR-JTQLQIEISA-N 1 2 382.205 2.392 20 0 GEADLO O=S(=O)(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1COC1 ZINC000583880178 652501183 /nfs/dbraw/zinc/50/11/83/652501183.db2.gz PTVAPXQPWGTKBF-KRWDZBQOSA-N 1 2 378.519 2.166 20 0 GEADLO O=S(=O)(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1COC1 ZINC000583880178 652501184 /nfs/dbraw/zinc/50/11/84/652501184.db2.gz PTVAPXQPWGTKBF-KRWDZBQOSA-N 1 2 378.519 2.166 20 0 GEADLO Cc1nc(N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c(Br)c(C)[nH+]1 ZINC000663672893 652507940 /nfs/dbraw/zinc/50/79/40/652507940.db2.gz DIZPLZZXLSFORI-PELKAZGASA-N 1 2 379.262 2.195 20 0 GEADLO Cc1nc(N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c(Br)c(C)[nH+]1 ZINC000663672896 652508045 /nfs/dbraw/zinc/50/80/45/652508045.db2.gz DIZPLZZXLSFORI-UFBFGSQYSA-N 1 2 379.262 2.195 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000584291550 652515532 /nfs/dbraw/zinc/51/55/32/652515532.db2.gz WAJCZLHXKPTUCZ-LLVKDONJSA-N 1 2 377.413 2.497 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccc(Br)cc2)[C@H](C)CO1 ZINC000664153901 652521443 /nfs/dbraw/zinc/52/14/43/652521443.db2.gz XRKNVOJREITCJT-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccc(Br)cc2)[C@H](C)CO1 ZINC000664153901 652521445 /nfs/dbraw/zinc/52/14/45/652521445.db2.gz XRKNVOJREITCJT-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000631470070 652525619 /nfs/dbraw/zinc/52/56/19/652525619.db2.gz WHCLTQBFHFQJDP-ZDUSSCGKSA-N 1 2 395.301 2.053 20 0 GEADLO O=C(c1cccnc1I)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000758011812 652528380 /nfs/dbraw/zinc/52/83/80/652528380.db2.gz FVUJBHTYUBPERJ-SNVBAGLBSA-N 1 2 382.205 2.429 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000758338844 652537851 /nfs/dbraw/zinc/53/78/51/652537851.db2.gz SOLYYKZNKIDYKE-LRDDRELGSA-N 1 2 390.311 2.437 20 0 GEADLO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1onc(C2CC2)c1Cl ZINC000631905199 652539825 /nfs/dbraw/zinc/53/98/25/652539825.db2.gz HLZBORCKLKTGBB-UHFFFAOYSA-N 1 2 389.905 2.129 20 0 GEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc(F)cc1I ZINC000587062304 652544325 /nfs/dbraw/zinc/54/43/25/652544325.db2.gz OVWHENOWDYPTRX-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000758663802 652551009 /nfs/dbraw/zinc/55/10/09/652551009.db2.gz ZNLZNKSWFAGLMU-LRDDRELGSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000758663802 652551011 /nfs/dbraw/zinc/55/10/11/652551011.db2.gz ZNLZNKSWFAGLMU-LRDDRELGSA-N 1 2 390.311 2.437 20 0 GEADLO CC(C)(C)n1cc(Br)c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000665379482 652551601 /nfs/dbraw/zinc/55/16/01/652551601.db2.gz RARBUHSOWZRSFI-ZDUSSCGKSA-N 1 2 399.333 2.337 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000589721815 652571606 /nfs/dbraw/zinc/57/16/06/652571606.db2.gz QAXPMTMMDPSJSL-ZDUSSCGKSA-N 1 2 378.226 2.177 20 0 GEADLO O=S(=O)(C[C@H]1CCC1(F)F)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680431 652574820 /nfs/dbraw/zinc/57/48/20/652574820.db2.gz MAVXINQAJCLIGO-CYBMUJFWSA-N 1 2 377.482 2.100 20 0 GEADLO O=C(Cc1nnc[nH]1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000632883790 652582072 /nfs/dbraw/zinc/58/20/72/652582072.db2.gz YFBCWXUUAACJHP-UHFFFAOYSA-N 1 2 389.257 2.035 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000592202131 652591526 /nfs/dbraw/zinc/59/15/26/652591526.db2.gz ZBJCDRDEZYFFAM-UMNHJUIQSA-N 1 2 375.252 2.176 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000592202131 652591529 /nfs/dbraw/zinc/59/15/29/652591529.db2.gz ZBJCDRDEZYFFAM-UMNHJUIQSA-N 1 2 375.252 2.176 20 0 GEADLO COC(=O)[C@@H](NCc1c[nH+]c2c(C)cc(Br)cn12)c1ccnn1C ZINC000592527498 652598801 /nfs/dbraw/zinc/59/88/01/652598801.db2.gz HMVOTAOOGYHJEY-AWEZNQCLSA-N 1 2 392.257 2.143 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000592533544 652599137 /nfs/dbraw/zinc/59/91/37/652599137.db2.gz SYWSVRLWTVOPGO-JSGCOSHPSA-N 1 2 394.269 2.195 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000592533544 652599141 /nfs/dbraw/zinc/59/91/41/652599141.db2.gz SYWSVRLWTVOPGO-JSGCOSHPSA-N 1 2 394.269 2.195 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760431250 652608944 /nfs/dbraw/zinc/60/89/44/652608944.db2.gz WHAOCYMAIOVQEB-OCCSQVGLSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760431250 652608949 /nfs/dbraw/zinc/60/89/49/652608949.db2.gz WHAOCYMAIOVQEB-OCCSQVGLSA-N 1 2 389.308 2.451 20 0 GEADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000760955712 652628482 /nfs/dbraw/zinc/62/84/82/652628482.db2.gz MAWHLDITZNPGLU-ATTDUZETSA-N 1 2 382.507 2.101 20 0 GEADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000760955712 652628485 /nfs/dbraw/zinc/62/84/85/652628485.db2.gz MAWHLDITZNPGLU-ATTDUZETSA-N 1 2 382.507 2.101 20 0 GEADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761038465 652630848 /nfs/dbraw/zinc/63/08/48/652630848.db2.gz AZIUOUSALFEKPL-GFCCVEGCSA-N 1 2 377.432 2.097 20 0 GEADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761038465 652630852 /nfs/dbraw/zinc/63/08/52/652630852.db2.gz AZIUOUSALFEKPL-GFCCVEGCSA-N 1 2 377.432 2.097 20 0 GEADLO COc1ccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c(Cl)n1 ZINC000761682843 652653978 /nfs/dbraw/zinc/65/39/78/652653978.db2.gz FAKOWPUYIBLUFA-INIZCTEOSA-N 1 2 386.905 2.073 20 0 GEADLO COCC[NH+]1CCN(C(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000668669871 652658233 /nfs/dbraw/zinc/65/82/33/652658233.db2.gz ZLSHQMNWCFTTAH-UHFFFAOYSA-N 1 2 385.302 2.397 20 0 GEADLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)CC1 ZINC000594465180 652658594 /nfs/dbraw/zinc/65/85/94/652658594.db2.gz XOFOIJJSMAYDGN-LLVKDONJSA-N 1 2 392.880 2.371 20 0 GEADLO CC[C@H]([NH2+][C@H]1CCN(CCC(=O)OC)C1=O)c1nc(C(F)(F)F)cs1 ZINC000594726263 652676544 /nfs/dbraw/zinc/67/65/44/652676544.db2.gz AVSQPWABNNNIHP-UWVGGRQHSA-N 1 2 379.404 2.367 20 0 GEADLO Cn1c[nH+]cc1Cc1noc(-c2cn(-c3ccccc3Br)nn2)n1 ZINC000762409397 652688538 /nfs/dbraw/zinc/68/85/38/652688538.db2.gz MJUANRCQNITIEO-UHFFFAOYSA-N 1 2 386.213 2.404 20 0 GEADLO Ic1ccc2[nH]c(NCc3cc4n(n3)CCC4)[nH+]c2c1 ZINC000594999675 652702145 /nfs/dbraw/zinc/70/21/45/652702145.db2.gz GFZKSMYRXZACHO-UHFFFAOYSA-N 1 2 379.205 2.344 20 0 GEADLO Ic1ccc2[nH+]c(NCc3cc4n(n3)CCC4)[nH]c2c1 ZINC000594999675 652702152 /nfs/dbraw/zinc/70/21/52/652702152.db2.gz GFZKSMYRXZACHO-UHFFFAOYSA-N 1 2 379.205 2.344 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595397896 652721270 /nfs/dbraw/zinc/72/12/70/652721270.db2.gz YJVQKSUKRXBAFC-CQSZACIVSA-N 1 2 380.491 2.088 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000595397896 652721273 /nfs/dbraw/zinc/72/12/73/652721273.db2.gz YJVQKSUKRXBAFC-CQSZACIVSA-N 1 2 380.491 2.088 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCc3c(F)cc(Br)cc3C2)C1 ZINC000669931008 652727859 /nfs/dbraw/zinc/72/78/59/652727859.db2.gz DAAFILBXTREMPD-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCc3c(F)cc(Br)cc3C2)C1 ZINC000669931008 652727868 /nfs/dbraw/zinc/72/78/68/652727868.db2.gz DAAFILBXTREMPD-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO COC(=O)CCN1CCC[C@@H]([N@@H+]2CCc3ccc(Br)cc3C2)C1=O ZINC000595474795 652729879 /nfs/dbraw/zinc/72/98/79/652729879.db2.gz GGISBZWCYOAYOM-MRXNPFEDSA-N 1 2 395.297 2.361 20 0 GEADLO COC(=O)CCN1CCC[C@@H]([N@H+]2CCc3ccc(Br)cc3C2)C1=O ZINC000595474795 652729885 /nfs/dbraw/zinc/72/98/85/652729885.db2.gz GGISBZWCYOAYOM-MRXNPFEDSA-N 1 2 395.297 2.361 20 0 GEADLO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl)C(=O)OC ZINC000595831239 652737260 /nfs/dbraw/zinc/73/72/60/652737260.db2.gz ZIXSLUJAMHIDCE-WNMQOVRZSA-N 1 2 391.295 2.320 20 0 GEADLO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595831162 652737355 /nfs/dbraw/zinc/73/73/55/652737355.db2.gz YFAXXFHOWDEQRM-GWCFXTLKSA-N 1 2 376.284 2.487 20 0 GEADLO O=C(CCSc1ccccc1Br)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670406156 652745762 /nfs/dbraw/zinc/74/57/62/652745762.db2.gz IGFQTQXQNIZGSK-AWEZNQCLSA-N 1 2 398.370 2.437 20 0 GEADLO O=C(CCSc1ccccc1Br)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670406156 652745770 /nfs/dbraw/zinc/74/57/70/652745770.db2.gz IGFQTQXQNIZGSK-AWEZNQCLSA-N 1 2 398.370 2.437 20 0 GEADLO CCC1(CC)CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCS1(=O)=O ZINC000635843304 652758165 /nfs/dbraw/zinc/75/81/65/652758165.db2.gz UEGOMCDKSVXZTI-GFCCVEGCSA-N 1 2 381.420 2.192 20 0 GEADLO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000763559885 652761320 /nfs/dbraw/zinc/76/13/20/652761320.db2.gz HMJBGZHGLTVWTO-OYLFLEFRSA-N 1 2 393.336 2.204 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000636021404 652775086 /nfs/dbraw/zinc/77/50/86/652775086.db2.gz AGBQTJYBCZXCNW-UHFFFAOYSA-N 1 2 394.274 2.134 20 0 GEADLO CS(=O)(=O)c1ccccc1CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000636043583 652775873 /nfs/dbraw/zinc/77/58/73/652775873.db2.gz UTKNAVCNCMPDOQ-CYBMUJFWSA-N 1 2 375.372 2.097 20 0 GEADLO O=S1(=O)CC[C@H](CC[NH+]2CCN(c3cccc(Br)c3)CC2)C1 ZINC000671253149 652789647 /nfs/dbraw/zinc/78/96/47/652789647.db2.gz LOSDTFHZDIZMPK-AWEZNQCLSA-N 1 2 387.343 2.396 20 0 GEADLO O=C(c1nscc1Br)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636291707 652794679 /nfs/dbraw/zinc/79/46/79/652794679.db2.gz CUOSMBINAUXDDT-UHFFFAOYSA-N 1 2 381.299 2.301 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000636557874 652808507 /nfs/dbraw/zinc/80/85/07/652808507.db2.gz DFBUEHMNFOUOTA-WBMJQRKESA-N 1 2 390.311 2.437 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000636631416 652813029 /nfs/dbraw/zinc/81/30/29/652813029.db2.gz VBMUJCITYYXEPP-BXUZGUMPSA-N 1 2 377.242 2.393 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC000598542310 652820137 /nfs/dbraw/zinc/82/01/37/652820137.db2.gz DBHXGBHHDSBESV-UHFFFAOYSA-N 1 2 384.255 2.116 20 0 GEADLO O=C(NCc1sccc1Br)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671959554 652822622 /nfs/dbraw/zinc/82/26/22/652822622.db2.gz VLHUOGVKZLVGLF-LLVKDONJSA-N 1 2 397.298 2.187 20 0 GEADLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(OC)ncc1Br ZINC000598608795 652824248 /nfs/dbraw/zinc/82/42/48/652824248.db2.gz PTWHEBRHKMXMNX-OLZOCXBDSA-N 1 2 387.274 2.395 20 0 GEADLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(OC)ncc1Br ZINC000598608795 652824249 /nfs/dbraw/zinc/82/42/49/652824249.db2.gz PTWHEBRHKMXMNX-OLZOCXBDSA-N 1 2 387.274 2.395 20 0 GEADLO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000765356657 652837137 /nfs/dbraw/zinc/83/71/37/652837137.db2.gz NAVOBGYDUMTNNE-CYBMUJFWSA-N 1 2 386.246 2.287 20 0 GEADLO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000765356657 652837139 /nfs/dbraw/zinc/83/71/39/652837139.db2.gz NAVOBGYDUMTNNE-CYBMUJFWSA-N 1 2 386.246 2.287 20 0 GEADLO Cc1cc(C)c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1I ZINC000598948779 652842306 /nfs/dbraw/zinc/84/23/06/652842306.db2.gz UQSIULPFJACRHW-LLVKDONJSA-N 1 2 381.217 2.459 20 0 GEADLO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ncc(I)s2)n1 ZINC000599021182 652845020 /nfs/dbraw/zinc/84/50/20/652845020.db2.gz SWUQRPWJVROSOH-OIBJUYFYSA-N 1 2 392.222 2.059 20 0 GEADLO Cc1sc(=O)n(CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1C ZINC000673471903 652864938 /nfs/dbraw/zinc/86/49/38/652864938.db2.gz ROKFJZSNRJNOIA-UHFFFAOYSA-N 1 2 380.539 2.148 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599437191 652871351 /nfs/dbraw/zinc/87/13/51/652871351.db2.gz PBOFXZUDXWBERX-IAQYHMDHSA-N 1 2 386.876 2.422 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599437191 652871355 /nfs/dbraw/zinc/87/13/55/652871355.db2.gz PBOFXZUDXWBERX-IAQYHMDHSA-N 1 2 386.876 2.422 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599437192 652871426 /nfs/dbraw/zinc/87/14/26/652871426.db2.gz PBOFXZUDXWBERX-NHYWBVRUSA-N 1 2 386.876 2.422 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599437192 652871427 /nfs/dbraw/zinc/87/14/27/652871427.db2.gz PBOFXZUDXWBERX-NHYWBVRUSA-N 1 2 386.876 2.422 20 0 GEADLO COc1cc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)o2)ccc1OC(F)F ZINC000637855856 652875679 /nfs/dbraw/zinc/87/56/79/652875679.db2.gz ZFEGFSAIWFTTDC-UHFFFAOYSA-N 1 2 376.381 2.169 20 0 GEADLO COc1cc(C[N@@H+](C)Cc2ccc(S(N)(=O)=O)o2)ccc1OC(F)F ZINC000637855856 652875681 /nfs/dbraw/zinc/87/56/81/652875681.db2.gz ZFEGFSAIWFTTDC-UHFFFAOYSA-N 1 2 376.381 2.169 20 0 GEADLO COC(=O)[C@]1([NH2+]CCn2cccn2)CCc2cc(Br)ccc2C1 ZINC000599596344 652879261 /nfs/dbraw/zinc/87/92/61/652879261.db2.gz RNGWPQQXNYKPSZ-KRWDZBQOSA-N 1 2 378.270 2.336 20 0 GEADLO CCN(C1CC[NH+](Cc2cc(OC)c(O)cc2Cl)CC1)S(C)(=O)=O ZINC000638063866 652883277 /nfs/dbraw/zinc/88/32/77/652883277.db2.gz JCBJXWKQEBZTJO-UHFFFAOYSA-N 1 2 376.906 2.300 20 0 GEADLO COc1cc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c(F)cc1Br ZINC000638063545 652883352 /nfs/dbraw/zinc/88/33/52/652883352.db2.gz DCGOZDBRMAJVPD-SNVBAGLBSA-N 1 2 395.294 2.097 20 0 GEADLO COc1cc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c(F)cc1Br ZINC000638063545 652883358 /nfs/dbraw/zinc/88/33/58/652883358.db2.gz DCGOZDBRMAJVPD-SNVBAGLBSA-N 1 2 395.294 2.097 20 0 GEADLO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cc(C)c(Br)cn2)CC1 ZINC000600135392 652905282 /nfs/dbraw/zinc/90/52/82/652905282.db2.gz WZKWTQGIJBUJNI-UHFFFAOYSA-N 1 2 398.301 2.044 20 0 GEADLO CCOc1cc(C[N@@H+]2CC[C@@](OC)(C(=O)OC)C2)cc(Br)c1O ZINC000600193002 652907406 /nfs/dbraw/zinc/90/74/06/652907406.db2.gz SAOOVHDUYAQNMR-INIZCTEOSA-N 1 2 388.258 2.317 20 0 GEADLO CCOc1cc(C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)cc(Br)c1O ZINC000600193002 652907411 /nfs/dbraw/zinc/90/74/11/652907411.db2.gz SAOOVHDUYAQNMR-INIZCTEOSA-N 1 2 388.258 2.317 20 0 GEADLO COC(=O)[C@@H]1CN(Cc2c[nH+]c3c(C)cc(Br)cn23)C[C@@H](C)O1 ZINC000600199148 652908289 /nfs/dbraw/zinc/90/82/89/652908289.db2.gz PUIHNKJLINFHTN-RISCZKNCSA-N 1 2 382.258 2.168 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000639107598 652919630 /nfs/dbraw/zinc/91/96/30/652919630.db2.gz TUSXEBMWOCZHND-ZWNOBZJWSA-N 1 2 386.823 2.123 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000639107598 652919633 /nfs/dbraw/zinc/91/96/33/652919633.db2.gz TUSXEBMWOCZHND-ZWNOBZJWSA-N 1 2 386.823 2.123 20 0 GEADLO COc1nsc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1Br ZINC000639161861 652924260 /nfs/dbraw/zinc/92/42/60/652924260.db2.gz NWLLWFYJONXJRX-MNOVXSKESA-N 1 2 376.320 2.209 20 0 GEADLO COc1nsc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1Br ZINC000639161861 652924263 /nfs/dbraw/zinc/92/42/63/652924263.db2.gz NWLLWFYJONXJRX-MNOVXSKESA-N 1 2 376.320 2.209 20 0 GEADLO Fc1ccc(N2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)nc1 ZINC000639174016 652925517 /nfs/dbraw/zinc/92/55/17/652925517.db2.gz MMSDQGZYANAROC-UHFFFAOYSA-N 1 2 391.248 2.348 20 0 GEADLO COc1cc(CC2C[NH+](Cc3ccc(S(N)(=O)=O)s3)C2)cc(OC)c1 ZINC000639251191 652928409 /nfs/dbraw/zinc/92/84/09/652928409.db2.gz JIIVGTOPUMFJDM-UHFFFAOYSA-N 1 2 382.507 2.087 20 0 GEADLO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000675495781 652929477 /nfs/dbraw/zinc/92/94/77/652929477.db2.gz KLFKUFUONCEAQR-LLVKDONJSA-N 1 2 383.857 2.008 20 0 GEADLO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000675495781 652929482 /nfs/dbraw/zinc/92/94/82/652929482.db2.gz KLFKUFUONCEAQR-LLVKDONJSA-N 1 2 383.857 2.008 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@H+](C[C@H]1CCN(c3ccccc3)C1)C2 ZINC000639333035 652933006 /nfs/dbraw/zinc/93/30/06/652933006.db2.gz PHFBMALNMZGALA-CQSZACIVSA-N 1 2 377.535 2.280 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@@H+](C[C@H]1CCN(c3ccccc3)C1)C2 ZINC000639333035 652933011 /nfs/dbraw/zinc/93/30/11/652933011.db2.gz PHFBMALNMZGALA-CQSZACIVSA-N 1 2 377.535 2.280 20 0 GEADLO CS(=O)(=O)C1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639517121 652939735 /nfs/dbraw/zinc/93/97/35/652939735.db2.gz DOPVMGZWUHFJNW-ZDUSSCGKSA-N 1 2 382.309 2.242 20 0 GEADLO CCN(CC(F)(F)F)C(=O)C[N@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000639629129 652945131 /nfs/dbraw/zinc/94/51/31/652945131.db2.gz LXRYBBCIKQPBOH-UHFFFAOYSA-N 1 2 379.448 2.405 20 0 GEADLO CCN(CC(F)(F)F)C(=O)C[N@@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000639629129 652945134 /nfs/dbraw/zinc/94/51/34/652945134.db2.gz LXRYBBCIKQPBOH-UHFFFAOYSA-N 1 2 379.448 2.405 20 0 GEADLO Cn1[nH]c([C@H]2CCC[N@@H+]2C[C@H](O)COc2cc(Cl)cc(Cl)c2)nc1=N ZINC000639625346 652945159 /nfs/dbraw/zinc/94/51/59/652945159.db2.gz TYJKXBFPYAJXTO-GXTWGEPZSA-N 1 2 386.283 2.111 20 0 GEADLO Cn1[nH]c([C@H]2CCC[N@H+]2C[C@H](O)COc2cc(Cl)cc(Cl)c2)nc1=N ZINC000639625346 652945161 /nfs/dbraw/zinc/94/51/61/652945161.db2.gz TYJKXBFPYAJXTO-GXTWGEPZSA-N 1 2 386.283 2.111 20 0 GEADLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639774257 652953792 /nfs/dbraw/zinc/95/37/92/652953792.db2.gz TYFCZGHYWUUKGW-DGCLKSJQSA-N 1 2 392.257 2.114 20 0 GEADLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639774257 652953801 /nfs/dbraw/zinc/95/38/01/652953801.db2.gz TYFCZGHYWUUKGW-DGCLKSJQSA-N 1 2 392.257 2.114 20 0 GEADLO O=c1[nH]c(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)nc2ccsc21 ZINC000639775156 652954787 /nfs/dbraw/zinc/95/47/87/652954787.db2.gz JSMONDUKYZSZQK-CYBMUJFWSA-N 1 2 380.539 2.037 20 0 GEADLO O=c1[nH]c(C[N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)nc2ccsc21 ZINC000639775156 652954789 /nfs/dbraw/zinc/95/47/89/652954789.db2.gz JSMONDUKYZSZQK-CYBMUJFWSA-N 1 2 380.539 2.037 20 0 GEADLO CN(c1nc(C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)cs1)C1CC1 ZINC000639776264 652954823 /nfs/dbraw/zinc/95/48/23/652954823.db2.gz PRTRNDJEQBTKEQ-KRWDZBQOSA-N 1 2 382.599 2.381 20 0 GEADLO CN(c1nc(C[N@@H+](CCN2CCOCC2)[C@H]2CCSC2)cs1)C1CC1 ZINC000639776264 652954828 /nfs/dbraw/zinc/95/48/28/652954828.db2.gz PRTRNDJEQBTKEQ-KRWDZBQOSA-N 1 2 382.599 2.381 20 0 GEADLO O[C@@H](C[N@@H+]1CCc2cc(F)cc(Br)c2C1)CC1(O)CCOCC1 ZINC000639896731 653087759 /nfs/dbraw/zinc/08/77/59/653087759.db2.gz JPXJONIQHJBJAR-CQSZACIVSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@@H](C[N@H+]1CCc2cc(F)cc(Br)c2C1)CC1(O)CCOCC1 ZINC000639896731 653087763 /nfs/dbraw/zinc/08/77/63/653087763.db2.gz JPXJONIQHJBJAR-CQSZACIVSA-N 1 2 388.277 2.239 20 0 GEADLO CCN(C(=O)[C@@H](C)[NH+]1CCC2(CCSCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000639978531 653092257 /nfs/dbraw/zinc/09/22/57/653092257.db2.gz HNEBLQJZDUZZCX-HZPDHXFCSA-N 1 2 388.599 2.020 20 0 GEADLO CO[C@H]1C[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@](C)(CO)C1 ZINC000640005494 653093228 /nfs/dbraw/zinc/09/32/28/653093228.db2.gz WXUQFKRFYLPIAL-PBHICJAKSA-N 1 2 396.285 2.395 20 0 GEADLO CO[C@H]1C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@](C)(CO)C1 ZINC000640005494 653093230 /nfs/dbraw/zinc/09/32/30/653093230.db2.gz WXUQFKRFYLPIAL-PBHICJAKSA-N 1 2 396.285 2.395 20 0 GEADLO CC[C@@]1(O)CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000640029552 653093928 /nfs/dbraw/zinc/09/39/28/653093928.db2.gz IZKFCJPDCUUZDA-OAHLLOKOSA-N 1 2 376.316 2.460 20 0 GEADLO CC[C@@]1(O)CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000640029552 653093933 /nfs/dbraw/zinc/09/39/33/653093933.db2.gz IZKFCJPDCUUZDA-OAHLLOKOSA-N 1 2 376.316 2.460 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC(C)(C)n2cc[nH+]c2)c1F ZINC000601527508 653107290 /nfs/dbraw/zinc/10/72/90/653107290.db2.gz VCMYHLPTYZHHGG-UHFFFAOYSA-N 1 2 389.836 2.176 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(I)cc2)C1 ZINC000805469686 653117882 /nfs/dbraw/zinc/11/78/82/653117882.db2.gz OKCPQTBQACYFMA-CYBMUJFWSA-N 1 2 375.206 2.055 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(I)cc2)C1 ZINC000805469686 653117884 /nfs/dbraw/zinc/11/78/84/653117884.db2.gz OKCPQTBQACYFMA-CYBMUJFWSA-N 1 2 375.206 2.055 20 0 GEADLO CCOCC[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000771637009 653122399 /nfs/dbraw/zinc/12/23/99/653122399.db2.gz TUFRYNKGSYXAFI-CQSZACIVSA-N 1 2 390.303 2.203 20 0 GEADLO CCOCC[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000771637009 653122406 /nfs/dbraw/zinc/12/24/06/653122406.db2.gz TUFRYNKGSYXAFI-CQSZACIVSA-N 1 2 390.303 2.203 20 0 GEADLO CS(=O)(=O)Nc1cccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000678137998 653128217 /nfs/dbraw/zinc/12/82/17/653128217.db2.gz YQJWDVVELVHJDK-UHFFFAOYSA-N 1 2 380.901 2.429 20 0 GEADLO C[S@](=O)c1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000601850320 653130096 /nfs/dbraw/zinc/13/00/96/653130096.db2.gz DBWZDHGZAGHSAE-VWLOTQADSA-N 1 2 375.519 2.302 20 0 GEADLO COC(=O)C[C@H]1CCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000771862052 653130141 /nfs/dbraw/zinc/13/01/41/653130141.db2.gz JNDBSTXJGSBAOE-HWPZZCPQSA-N 1 2 385.873 2.154 20 0 GEADLO COC(=O)C[C@H]1CCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000771862052 653130146 /nfs/dbraw/zinc/13/01/46/653130146.db2.gz JNDBSTXJGSBAOE-HWPZZCPQSA-N 1 2 385.873 2.154 20 0 GEADLO O=C(OCCn1cc[nH+]c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000771864130 653130376 /nfs/dbraw/zinc/13/03/76/653130376.db2.gz JQOMNNGZWHHUFA-UHFFFAOYSA-N 1 2 383.857 2.178 20 0 GEADLO O=C(NCCC(=O)OCCn1cc[nH+]c1)Nc1ccc(Br)cc1 ZINC000771918997 653132314 /nfs/dbraw/zinc/13/23/14/653132314.db2.gz MIZIVPIZNNQUED-UHFFFAOYSA-N 1 2 381.230 2.401 20 0 GEADLO C[N@H+](CC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl)[C@H]1CCSC1 ZINC000772050102 653138307 /nfs/dbraw/zinc/13/83/07/653138307.db2.gz UNAGZUUIDFIQEM-JTQLQIEISA-N 1 2 378.281 2.307 20 0 GEADLO C[N@@H+](CC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl)[C@H]1CCSC1 ZINC000772050102 653138309 /nfs/dbraw/zinc/13/83/09/653138309.db2.gz UNAGZUUIDFIQEM-JTQLQIEISA-N 1 2 378.281 2.307 20 0 GEADLO Cc1nc([C@@H](C)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)cs1 ZINC000679148547 653138920 /nfs/dbraw/zinc/13/89/20/653138920.db2.gz KYODEUQQZLLVME-GFCCVEGCSA-N 1 2 381.527 2.101 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn(Cc3sc4ccccc4c3Cl)nn2)C1 ZINC000640896067 653144478 /nfs/dbraw/zinc/14/44/78/653144478.db2.gz YQDLAFBYYWCTBN-NSHDSACASA-N 1 2 396.925 2.471 20 0 GEADLO COCC[N@H+](C)Cc1cn([C@@H](C)C(=O)Nc2ccccc2Br)nn1 ZINC000640901462 653145716 /nfs/dbraw/zinc/14/57/16/653145716.db2.gz NJTKWJAJFFSHQC-LBPRGKRZSA-N 1 2 396.289 2.319 20 0 GEADLO COCC[N@@H+](C)Cc1cn([C@@H](C)C(=O)Nc2ccccc2Br)nn1 ZINC000640901462 653145722 /nfs/dbraw/zinc/14/57/22/653145722.db2.gz NJTKWJAJFFSHQC-LBPRGKRZSA-N 1 2 396.289 2.319 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+](C)CC1CCOCC1 ZINC000769384692 653151159 /nfs/dbraw/zinc/15/11/59/653151159.db2.gz TXUFXKKRZRGTGC-AWEZNQCLSA-N 1 2 375.922 2.063 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+](C)CC1CCOCC1 ZINC000769384692 653151163 /nfs/dbraw/zinc/15/11/63/653151163.db2.gz TXUFXKKRZRGTGC-AWEZNQCLSA-N 1 2 375.922 2.063 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1Br ZINC000602182859 653155341 /nfs/dbraw/zinc/15/53/41/653155341.db2.gz QOSPBNNVLZTXHN-GYSYKLTISA-N 1 2 378.226 2.306 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1Br ZINC000602182859 653155350 /nfs/dbraw/zinc/15/53/50/653155350.db2.gz QOSPBNNVLZTXHN-GYSYKLTISA-N 1 2 378.226 2.306 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCC(S(C)(=O)=O)CC3)c[nH+]c12 ZINC000680328228 653163914 /nfs/dbraw/zinc/16/39/14/653163914.db2.gz BRMONZRTZODZEA-UHFFFAOYSA-N 1 2 386.315 2.414 20 0 GEADLO COc1ccc([C@H](C)NS(=O)(=O)CCn2cc[nH+]c2)cc1Br ZINC000641262197 653174603 /nfs/dbraw/zinc/17/46/03/653174603.db2.gz SOEJVXZYJPKGOL-NSHDSACASA-N 1 2 388.287 2.335 20 0 GEADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000681036908 653175625 /nfs/dbraw/zinc/17/56/25/653175625.db2.gz GPLMOJWIGPIOQS-GFCCVEGCSA-N 1 2 384.274 2.114 20 0 GEADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000681036908 653175627 /nfs/dbraw/zinc/17/56/27/653175627.db2.gz GPLMOJWIGPIOQS-GFCCVEGCSA-N 1 2 384.274 2.114 20 0 GEADLO C[C@@H](COc1ccccc1C(F)(F)F)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641293535 653180362 /nfs/dbraw/zinc/18/03/62/653180362.db2.gz SBNLKIKMEKKDBD-LBPRGKRZSA-N 1 2 377.388 2.289 20 0 GEADLO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000773108362 653181579 /nfs/dbraw/zinc/18/15/79/653181579.db2.gz WYXVHRGSANSMJR-LLVKDONJSA-N 1 2 381.466 2.158 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC(O)(C(C)C)C3)[nH+]c12 ZINC000807107631 653184771 /nfs/dbraw/zinc/18/47/71/653184771.db2.gz JCMKQPGHJBFYOA-UHFFFAOYSA-N 1 2 395.301 2.360 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000807280410 653188903 /nfs/dbraw/zinc/18/89/03/653188903.db2.gz JOIHXXVVGROPLZ-JTQLQIEISA-N 1 2 380.813 2.225 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)c(C)c1F ZINC000807281791 653188983 /nfs/dbraw/zinc/18/89/83/653188983.db2.gz WNADBYHUTADMOU-LBPRGKRZSA-N 1 2 384.205 2.065 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1c(C)c(C)sc1Br ZINC000807281131 653189001 /nfs/dbraw/zinc/18/90/01/653189001.db2.gz OUJFLILQBBTVGQ-JTQLQIEISA-N 1 2 386.271 2.296 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@H](c3cccs3)C2)C1 ZINC000641380625 653195664 /nfs/dbraw/zinc/19/56/64/653195664.db2.gz TWIMSTMSTTWWSW-INIZCTEOSA-N 1 2 378.519 2.498 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@H](c3cccs3)C2)C1 ZINC000641380625 653195672 /nfs/dbraw/zinc/19/56/72/653195672.db2.gz TWIMSTMSTTWWSW-INIZCTEOSA-N 1 2 378.519 2.498 20 0 GEADLO CN1CC[C@H](NS(=O)(=O)CCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000641392800 653197590 /nfs/dbraw/zinc/19/75/90/653197590.db2.gz FJYOOPNOTGQDEU-HOTGVXAUSA-N 1 2 386.880 2.040 20 0 GEADLO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1ncn(C)n1 ZINC000682033384 653204391 /nfs/dbraw/zinc/20/43/91/653204391.db2.gz FRCVJQRMTYWMQW-KOLCDFICSA-N 1 2 389.681 2.322 20 0 GEADLO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1ncn(C)n1 ZINC000682033387 653204562 /nfs/dbraw/zinc/20/45/62/653204562.db2.gz FRCVJQRMTYWMQW-ONGXEEELSA-N 1 2 389.681 2.322 20 0 GEADLO CN([C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641434739 653205424 /nfs/dbraw/zinc/20/54/24/653205424.db2.gz MNSYFIAFXCRHGH-HUUCEWRRSA-N 1 2 390.292 2.110 20 0 GEADLO Cc1cc(Br)c2c(c1)CN(S(=O)(=O)CCn1cc[nH+]c1)CC2 ZINC000641435064 653205443 /nfs/dbraw/zinc/20/54/43/653205443.db2.gz DEORMDMJNGFQEI-UHFFFAOYSA-N 1 2 384.299 2.342 20 0 GEADLO CN([C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641434731 653205492 /nfs/dbraw/zinc/20/54/92/653205492.db2.gz MNSYFIAFXCRHGH-CABCVRRESA-N 1 2 390.292 2.110 20 0 GEADLO O=C(NCC[NH+]1CCSCC1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602768381 653205723 /nfs/dbraw/zinc/20/57/23/653205723.db2.gz NCOCQAQTQRFFEQ-UHFFFAOYSA-N 1 2 396.310 2.069 20 0 GEADLO OC[C@@H]1CC[C@@H](CO)[NH+]1Cc1cc(Cl)ccc1I ZINC000602879923 653211152 /nfs/dbraw/zinc/21/11/52/653211152.db2.gz HKDBAABGRCHWSV-RYUDHWBXSA-N 1 2 381.641 2.262 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(c2ncnc(C(F)(F)F)c2Br)[C@H](C)C1 ZINC000641501043 653215009 /nfs/dbraw/zinc/21/50/09/653215009.db2.gz QICULXHJGFQGQQ-RKDXNWHRSA-N 1 2 383.212 2.149 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(c2ncnc(C(F)(F)F)c2Br)[C@H](C)C1 ZINC000641501043 653215016 /nfs/dbraw/zinc/21/50/16/653215016.db2.gz QICULXHJGFQGQQ-RKDXNWHRSA-N 1 2 383.212 2.149 20 0 GEADLO C[C@@H](CNC(=O)Cc1ccc(Br)c(Cl)c1)[NH+]1CCN(C)CC1 ZINC000682498291 653215753 /nfs/dbraw/zinc/21/57/53/653215753.db2.gz APALNCWSQBYCKF-LBPRGKRZSA-N 1 2 388.737 2.397 20 0 GEADLO COc1ccc2c(c1)C(=O)N(C[N@H+](C)CCn1cc(Br)cn1)C2 ZINC000808244213 653223993 /nfs/dbraw/zinc/22/39/93/653223993.db2.gz YSNAFZJGCAGSGZ-UHFFFAOYSA-N 1 2 379.258 2.200 20 0 GEADLO COc1ccc2c(c1)C(=O)N(C[N@@H+](C)CCn1cc(Br)cn1)C2 ZINC000808244213 653223996 /nfs/dbraw/zinc/22/39/96/653223996.db2.gz YSNAFZJGCAGSGZ-UHFFFAOYSA-N 1 2 379.258 2.200 20 0 GEADLO O=S(=O)(CC[C@H]1CCCCO1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000641640435 653226730 /nfs/dbraw/zinc/22/67/30/653226730.db2.gz GJQQDIQWPIIGOC-MRXNPFEDSA-N 1 2 385.555 2.013 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2cccnc2Br)c1C ZINC000774195534 653228807 /nfs/dbraw/zinc/22/88/07/653228807.db2.gz AVKWUOPVNMZHSV-UHFFFAOYSA-N 1 2 393.241 2.119 20 0 GEADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(Cc3nnsc3Cl)CC2)C1 ZINC000808772646 653235015 /nfs/dbraw/zinc/23/50/15/653235015.db2.gz IKCKRZILGPOLSF-GFCCVEGCSA-N 1 2 387.937 2.319 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000683659231 653237148 /nfs/dbraw/zinc/23/71/48/653237148.db2.gz NQQYZLPKLATRLK-FZMZJTMJSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000683659231 653237150 /nfs/dbraw/zinc/23/71/50/653237150.db2.gz NQQYZLPKLATRLK-FZMZJTMJSA-N 1 2 376.266 2.359 20 0 GEADLO C[C@H](Nc1ncc(Cn2cc(Br)cn2)s1)[C@@H]1C[N@H+](C)CCO1 ZINC000683749936 653240259 /nfs/dbraw/zinc/24/02/59/653240259.db2.gz DWZOCMMEMBNXSU-GWCFXTLKSA-N 1 2 386.319 2.281 20 0 GEADLO C[C@H](Nc1ncc(Cn2cc(Br)cn2)s1)[C@@H]1C[N@@H+](C)CCO1 ZINC000683749936 653240264 /nfs/dbraw/zinc/24/02/64/653240264.db2.gz DWZOCMMEMBNXSU-GWCFXTLKSA-N 1 2 386.319 2.281 20 0 GEADLO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N1CCn2c[nH+]cc2C1 ZINC000642333605 653243857 /nfs/dbraw/zinc/24/38/57/653243857.db2.gz XSYXYCIHVHABTK-CYBMUJFWSA-N 1 2 390.285 2.450 20 0 GEADLO CCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000642515312 653247998 /nfs/dbraw/zinc/24/79/98/653247998.db2.gz GSMZZASXFGBKSQ-LLVKDONJSA-N 1 2 388.287 2.411 20 0 GEADLO Cc1ncc2c(n1)CC[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000642528054 653248342 /nfs/dbraw/zinc/24/83/42/653248342.db2.gz PLMYJOQDILXVAN-HNNXBMFYSA-N 1 2 378.270 2.346 20 0 GEADLO Cc1ncc2c(n1)CC[N@H+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000642528054 653248374 /nfs/dbraw/zinc/24/83/74/653248374.db2.gz PLMYJOQDILXVAN-HNNXBMFYSA-N 1 2 378.270 2.346 20 0 GEADLO Cn1cncc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000809795051 653295960 /nfs/dbraw/zinc/29/59/60/653295960.db2.gz MHBJSSUUZLZSCW-UHFFFAOYSA-N 1 2 378.274 2.187 20 0 GEADLO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000685619322 653310101 /nfs/dbraw/zinc/31/01/01/653310101.db2.gz KRMHTDHTMXWUJC-AWEZNQCLSA-N 1 2 380.290 2.280 20 0 GEADLO Cc1cn2cc(NC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)ccc2[nH+]1 ZINC000685694631 653312028 /nfs/dbraw/zinc/31/20/28/653312028.db2.gz BTNCZUTXSRUBSN-UHFFFAOYSA-N 1 2 378.841 2.213 20 0 GEADLO CN1CC[NH+](C[C@@H]2CN(c3noc4ccc(Br)cc43)CCO2)CC1 ZINC000685907161 653317445 /nfs/dbraw/zinc/31/74/45/653317445.db2.gz ZVXCIJRKLAYTQJ-CQSZACIVSA-N 1 2 395.301 2.043 20 0 GEADLO Cn1cc(C[NH+]2CCN(C[C@H](O)c3ccc(F)c(Br)c3)CC2)cn1 ZINC000775599371 653319112 /nfs/dbraw/zinc/31/91/12/653319112.db2.gz GPGBMQQMTVPKPR-KRWDZBQOSA-N 1 2 397.292 2.173 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000874709552 653333733 /nfs/dbraw/zinc/33/37/33/653333733.db2.gz FXFMELXVXYUWFF-LBPRGKRZSA-N 1 2 387.322 2.241 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000874709552 653333738 /nfs/dbraw/zinc/33/37/38/653333738.db2.gz FXFMELXVXYUWFF-LBPRGKRZSA-N 1 2 387.322 2.241 20 0 GEADLO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2c3cc[nH+]cc3C[C@H]2C)c1 ZINC000857900675 653342775 /nfs/dbraw/zinc/34/27/75/653342775.db2.gz DOQGGBHCSOOUNW-GFCCVEGCSA-N 1 2 380.491 2.242 20 0 GEADLO O=C(CCS(=O)(=O)c1cccc(Br)c1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857978372 653345665 /nfs/dbraw/zinc/34/56/65/653345665.db2.gz MZLQWAODJWQLEQ-CYBMUJFWSA-N 1 2 398.282 2.071 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986754 653346672 /nfs/dbraw/zinc/34/66/72/653346672.db2.gz SCNSIGZVHHBURR-BDAKNGLRSA-N 1 2 383.271 2.087 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000857989465 653346875 /nfs/dbraw/zinc/34/68/75/653346875.db2.gz NRYCGMNJOQHXRW-SMDDNHRTSA-N 1 2 389.253 2.260 20 0 GEADLO O=C(COc1ccc(I)cc1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857991464 653346885 /nfs/dbraw/zinc/34/68/85/653346885.db2.gz YOPYIUWIQGYNGM-GFCCVEGCSA-N 1 2 383.189 2.128 20 0 GEADLO Cc1cccc(CCCOCCOC(=O)c2c(Br)nnn2C)[nH+]1 ZINC000810583294 653347093 /nfs/dbraw/zinc/34/70/93/653347093.db2.gz UCWQXXOLMYCSRN-UHFFFAOYSA-N 1 2 383.246 2.087 20 0 GEADLO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cn(C)nc3Br)C2=O)cc1 ZINC000858139568 653350122 /nfs/dbraw/zinc/35/01/22/653350122.db2.gz VVKOWPQTEOAKBI-OAHLLOKOSA-N 1 2 393.285 2.082 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CCO1 ZINC000875194358 653357106 /nfs/dbraw/zinc/35/71/06/653357106.db2.gz IXYAUWJPMFSGGU-SNVBAGLBSA-N 1 2 380.798 2.274 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CCO1 ZINC000875194358 653357113 /nfs/dbraw/zinc/35/71/13/653357113.db2.gz IXYAUWJPMFSGGU-SNVBAGLBSA-N 1 2 380.798 2.274 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000875322319 653363670 /nfs/dbraw/zinc/36/36/70/653363670.db2.gz BGAHSIRTRFXWLX-LLVKDONJSA-N 1 2 380.436 2.114 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000875322319 653363678 /nfs/dbraw/zinc/36/36/78/653363678.db2.gz BGAHSIRTRFXWLX-LLVKDONJSA-N 1 2 380.436 2.114 20 0 GEADLO Cc1nn(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c(C)c1Br ZINC000777566094 653401547 /nfs/dbraw/zinc/40/15/47/653401547.db2.gz HXYGSZHEAUWATP-JTQLQIEISA-N 1 2 383.212 2.220 20 0 GEADLO Cc1nn(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c(C)c1Br ZINC000777566094 653401550 /nfs/dbraw/zinc/40/15/50/653401550.db2.gz HXYGSZHEAUWATP-JTQLQIEISA-N 1 2 383.212 2.220 20 0 GEADLO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000777569816 653402048 /nfs/dbraw/zinc/40/20/48/653402048.db2.gz JFKXBXJZKPLKMM-JTQLQIEISA-N 1 2 395.476 2.232 20 0 GEADLO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000777569816 653402051 /nfs/dbraw/zinc/40/20/51/653402051.db2.gz JFKXBXJZKPLKMM-JTQLQIEISA-N 1 2 395.476 2.232 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000859116650 653407883 /nfs/dbraw/zinc/40/78/83/653407883.db2.gz LRMZCIWCAVXBJZ-JTQLQIEISA-N 1 2 384.845 2.008 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)nc1F ZINC000859213307 653424506 /nfs/dbraw/zinc/42/45/06/653424506.db2.gz MSWGIBAGHCTLPR-QWRGUYRKSA-N 1 2 392.294 2.278 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Br)nc1F ZINC000859213307 653424514 /nfs/dbraw/zinc/42/45/14/653424514.db2.gz MSWGIBAGHCTLPR-QWRGUYRKSA-N 1 2 392.294 2.278 20 0 GEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3ccc(Cl)cn3)CC2)cc1 ZINC000778223639 653435015 /nfs/dbraw/zinc/43/50/15/653435015.db2.gz NACWSLMEDUKZHF-UHFFFAOYSA-N 1 2 380.901 2.429 20 0 GEADLO Cc1ccc(Br)c(F)c1C[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000876556602 653435195 /nfs/dbraw/zinc/43/51/95/653435195.db2.gz UJIODMUHYGHGRS-UHFFFAOYSA-N 1 2 379.295 2.410 20 0 GEADLO Fc1cccc(CN2CC[C@H]([NH+]3CCOCC3)C2)c1I ZINC000876619199 653438213 /nfs/dbraw/zinc/43/82/13/653438213.db2.gz QKLITCINLLPDAE-ZDUSSCGKSA-N 1 2 390.240 2.337 20 0 GEADLO Fc1cccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1I ZINC000876619199 653438217 /nfs/dbraw/zinc/43/82/17/653438217.db2.gz QKLITCINLLPDAE-ZDUSSCGKSA-N 1 2 390.240 2.337 20 0 GEADLO Fc1cccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1I ZINC000876619199 653438220 /nfs/dbraw/zinc/43/82/20/653438220.db2.gz QKLITCINLLPDAE-ZDUSSCGKSA-N 1 2 390.240 2.337 20 0 GEADLO O=C(c1cc(Br)cnc1F)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000859325956 653441693 /nfs/dbraw/zinc/44/16/93/653441693.db2.gz ACWRQTDCEFNMAS-ZDUSSCGKSA-N 1 2 386.265 2.310 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl)CC1CC1 ZINC000812837338 653444261 /nfs/dbraw/zinc/44/42/61/653444261.db2.gz DTBQCLLIZQRDQJ-UHFFFAOYSA-N 1 2 377.865 2.439 20 0 GEADLO COC(=O)c1ccc(C[N@H+](CCS(C)(=O)=O)C(C)C)cc1Br ZINC000876773000 653447396 /nfs/dbraw/zinc/44/73/96/653447396.db2.gz LDSHFYXPVFAAFL-UHFFFAOYSA-N 1 2 392.315 2.491 20 0 GEADLO COC(=O)c1ccc(C[N@@H+](CCS(C)(=O)=O)C(C)C)cc1Br ZINC000876773000 653447409 /nfs/dbraw/zinc/44/74/09/653447409.db2.gz LDSHFYXPVFAAFL-UHFFFAOYSA-N 1 2 392.315 2.491 20 0 GEADLO Cc1cnc(Br)c(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000812973990 653450045 /nfs/dbraw/zinc/45/00/45/653450045.db2.gz OTWYDEQZFTWWSA-UHFFFAOYSA-N 1 2 388.225 2.055 20 0 GEADLO CN(C(=O)c1ccccc1S(=O)(=O)C(F)(F)F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000812992577 653452302 /nfs/dbraw/zinc/45/23/02/653452302.db2.gz KHCDCKOQPWEJGX-LBPRGKRZSA-N 1 2 376.400 2.289 20 0 GEADLO CN(C(=O)c1ccccc1S(=O)(=O)C(F)(F)F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000812992577 653452305 /nfs/dbraw/zinc/45/23/05/653452305.db2.gz KHCDCKOQPWEJGX-LBPRGKRZSA-N 1 2 376.400 2.289 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000779564442 653495075 /nfs/dbraw/zinc/49/50/75/653495075.db2.gz TVDTVPYZITVRON-LBPRGKRZSA-N 1 2 392.209 2.363 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000779565442 653496437 /nfs/dbraw/zinc/49/64/37/653496437.db2.gz WJCYLLNXQZWERP-KFWWJZLASA-N 1 2 392.253 2.107 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2F)C1 ZINC000877484843 653527255 /nfs/dbraw/zinc/52/72/55/653527255.db2.gz GXSKPKNQJPQCMZ-ZDUSSCGKSA-N 1 2 378.416 2.427 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2F)C1 ZINC000877484843 653527268 /nfs/dbraw/zinc/52/72/68/653527268.db2.gz GXSKPKNQJPQCMZ-ZDUSSCGKSA-N 1 2 378.416 2.427 20 0 GEADLO COC1(CO)CC[NH+](Cc2cccc(F)c2I)CC1 ZINC000877481557 653527329 /nfs/dbraw/zinc/52/73/29/653527329.db2.gz KWQVMEQDIKMPLI-UHFFFAOYSA-N 1 2 379.213 2.404 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CCO1 ZINC000838114576 653609178 /nfs/dbraw/zinc/60/91/78/653609178.db2.gz PMNNVSCVCAXOPS-CZUORRHYSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CCO1 ZINC000838114576 653609186 /nfs/dbraw/zinc/60/91/86/653609186.db2.gz PMNNVSCVCAXOPS-CZUORRHYSA-N 1 2 397.317 2.411 20 0 GEADLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000877559953 653612456 /nfs/dbraw/zinc/61/24/56/653612456.db2.gz BAXIEYVUALIILO-ZDUSSCGKSA-N 1 2 382.262 2.154 20 0 GEADLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000877559953 653612460 /nfs/dbraw/zinc/61/24/60/653612460.db2.gz BAXIEYVUALIILO-ZDUSSCGKSA-N 1 2 382.262 2.154 20 0 GEADLO COC(=O)c1cc(C2CC[NH+](Cc3cn(C)nc3Br)CC2)no1 ZINC000877704551 653617254 /nfs/dbraw/zinc/61/72/54/653617254.db2.gz QQFZEQRIFCYLHL-UHFFFAOYSA-N 1 2 383.246 2.337 20 0 GEADLO O=C(NCC[C@H]1CCCS1(=O)=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000878011125 653626225 /nfs/dbraw/zinc/62/62/25/653626225.db2.gz WQZUQPBFDJNJGI-CQSZACIVSA-N 1 2 386.543 2.218 20 0 GEADLO Cn1ncc(Br)c1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000878025680 653626545 /nfs/dbraw/zinc/62/65/45/653626545.db2.gz GOCAVXJIJQETFH-UHFFFAOYSA-N 1 2 393.285 2.196 20 0 GEADLO CCOC(=O)N(C)C1CC[NH+](C[C@H](O)c2cc(Br)no2)CC1 ZINC000878038389 653627051 /nfs/dbraw/zinc/62/70/51/653627051.db2.gz JECOOUGAVYTSFR-NSHDSACASA-N 1 2 376.251 2.023 20 0 GEADLO C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)N=S(C)(C)=O ZINC000878242024 653632427 /nfs/dbraw/zinc/63/24/27/653632427.db2.gz DUABKFJZKTVDIV-SUMWQHHRSA-N 1 2 375.535 2.304 20 0 GEADLO C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)N=S(C)(C)=O ZINC000878242023 653632453 /nfs/dbraw/zinc/63/24/53/653632453.db2.gz DUABKFJZKTVDIV-GUYCJALGSA-N 1 2 375.535 2.304 20 0 GEADLO C[N@H+](C[C@H]1CC2(CO1)CCOCC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000878341974 653634976 /nfs/dbraw/zinc/63/49/76/653634976.db2.gz MBWIIZHIBPMXLX-HZPDHXFCSA-N 1 2 397.313 2.493 20 0 GEADLO C[N@@H+](C[C@H]1CC2(CO1)CCOCC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000878341974 653634982 /nfs/dbraw/zinc/63/49/82/653634982.db2.gz MBWIIZHIBPMXLX-HZPDHXFCSA-N 1 2 397.313 2.493 20 0 GEADLO O=C(CCc1cncs1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000814588542 653636163 /nfs/dbraw/zinc/63/61/63/653636163.db2.gz CYFIFPJYOCBGMS-UHFFFAOYSA-N 1 2 379.507 2.025 20 0 GEADLO CC(C)[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000814618000 653637500 /nfs/dbraw/zinc/63/75/00/653637500.db2.gz MZTJFIZUAMWGKI-AWEZNQCLSA-N 1 2 380.432 2.029 20 0 GEADLO CCN(CC(F)(F)F)C(=O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000878460827 653638085 /nfs/dbraw/zinc/63/80/85/653638085.db2.gz YVDVJLPIVCWFCY-UHFFFAOYSA-N 1 2 380.798 2.384 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1cc(F)c(Cl)nc1Cl ZINC000839450848 653649756 /nfs/dbraw/zinc/64/97/56/653649756.db2.gz GYNRZNDWTIHYFM-UHFFFAOYSA-N 1 2 392.258 2.139 20 0 GEADLO O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)s1 ZINC000839460592 653650083 /nfs/dbraw/zinc/65/00/83/653650083.db2.gz OUBDZJODKVINIE-UHFFFAOYSA-N 1 2 380.267 2.437 20 0 GEADLO C[C@H]1C[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)CCN1CCO ZINC000815096894 653651627 /nfs/dbraw/zinc/65/16/27/653651627.db2.gz XEQYWHKJFYNXAC-BLLLJJGKSA-N 1 2 391.737 2.308 20 0 GEADLO C[C@H]1C[N@@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)CCN1CCO ZINC000815096894 653651629 /nfs/dbraw/zinc/65/16/29/653651629.db2.gz XEQYWHKJFYNXAC-BLLLJJGKSA-N 1 2 391.737 2.308 20 0 GEADLO O=C1C[N@@H+](CCC2OCCCO2)CCN1Cc1ccc(Br)cc1 ZINC000879099637 653658811 /nfs/dbraw/zinc/65/88/11/653658811.db2.gz OCLKLDMHTFIDML-UHFFFAOYSA-N 1 2 383.286 2.246 20 0 GEADLO O=C1C[N@H+](CCC2OCCCO2)CCN1Cc1ccc(Br)cc1 ZINC000879099637 653658813 /nfs/dbraw/zinc/65/88/13/653658813.db2.gz OCLKLDMHTFIDML-UHFFFAOYSA-N 1 2 383.286 2.246 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000839822927 653665795 /nfs/dbraw/zinc/66/57/95/653665795.db2.gz BFOJPPOTSHDHKB-ZFWWWQNUSA-N 1 2 378.270 2.400 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000839824221 653665977 /nfs/dbraw/zinc/66/59/77/653665977.db2.gz HPIXZSJBRQDWBD-ZFWWWQNUSA-N 1 2 378.270 2.400 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000839826246 653666155 /nfs/dbraw/zinc/66/61/55/653666155.db2.gz SGXZRRDXGZFSER-CJNGLKHVSA-N 1 2 378.270 2.400 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)C[C@H](C)[N@H+]1C ZINC000861839399 653668423 /nfs/dbraw/zinc/66/84/23/653668423.db2.gz YMMNNAVXWSYDQZ-PHIMTYICSA-N 1 2 379.258 2.074 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)C[C@H](C)[N@@H+]1C ZINC000861839399 653668428 /nfs/dbraw/zinc/66/84/28/653668428.db2.gz YMMNNAVXWSYDQZ-PHIMTYICSA-N 1 2 379.258 2.074 20 0 GEADLO CC[N@@H+](Cc1cccc(Br)c1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000839977891 653671035 /nfs/dbraw/zinc/67/10/35/653671035.db2.gz LXLOXTCISCPBKO-INIZCTEOSA-N 1 2 397.313 2.228 20 0 GEADLO CC[N@H+](Cc1cccc(Br)c1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000839977891 653671036 /nfs/dbraw/zinc/67/10/36/653671036.db2.gz LXLOXTCISCPBKO-INIZCTEOSA-N 1 2 397.313 2.228 20 0 GEADLO C[C@H]1C[N@H+](CCSc2nnc(-c3cccc(Br)c3)n2N)CCO1 ZINC000840057349 653672870 /nfs/dbraw/zinc/67/28/70/653672870.db2.gz ZVDBCSFWVYNOSP-NSHDSACASA-N 1 2 398.330 2.234 20 0 GEADLO C[C@H]1C[N@@H+](CCSc2nnc(-c3cccc(Br)c3)n2N)CCO1 ZINC000840057349 653672875 /nfs/dbraw/zinc/67/28/75/653672875.db2.gz ZVDBCSFWVYNOSP-NSHDSACASA-N 1 2 398.330 2.234 20 0 GEADLO O=Cc1cc(Br)cc(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1 ZINC000862213734 653679487 /nfs/dbraw/zinc/67/94/87/653679487.db2.gz VKLJWULLJOMXMG-UHFFFAOYSA-N 1 2 381.270 2.198 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)c1cc(S(C)(=O)=O)ncc1Cl)c1cccs1 ZINC000816816049 653693854 /nfs/dbraw/zinc/69/38/54/653693854.db2.gz LDPRUFLQZKECLO-GFCCVEGCSA-N 1 2 387.914 2.233 20 0 GEADLO O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)c1cccc2[nH+]ccn21 ZINC000817028746 653698451 /nfs/dbraw/zinc/69/84/51/653698451.db2.gz OIKVHHQWYRAZPT-CYBMUJFWSA-N 1 2 385.221 2.242 20 0 GEADLO COC(=O)[C@]12CCC[C@H]1[N@@H+]([C@@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000880182518 653700077 /nfs/dbraw/zinc/70/00/77/653700077.db2.gz ZKQULELEIAXWDV-CPUCHLNUSA-N 1 2 381.270 2.393 20 0 GEADLO COC(=O)[C@]12CCC[C@H]1[N@H+]([C@@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000880182518 653700078 /nfs/dbraw/zinc/70/00/78/653700078.db2.gz ZKQULELEIAXWDV-CPUCHLNUSA-N 1 2 381.270 2.393 20 0 GEADLO CCOC(=O)c1sc([C@@H]2CC[N@H+](CC3(CS(C)(=O)=O)CC3)C2)nc1C ZINC000880324292 653703730 /nfs/dbraw/zinc/70/37/30/653703730.db2.gz GMRUOPRFTPOTEP-CYBMUJFWSA-N 1 2 386.539 2.242 20 0 GEADLO CCOC(=O)c1sc([C@@H]2CC[N@@H+](CC3(CS(C)(=O)=O)CC3)C2)nc1C ZINC000880324292 653703734 /nfs/dbraw/zinc/70/37/34/653703734.db2.gz GMRUOPRFTPOTEP-CYBMUJFWSA-N 1 2 386.539 2.242 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](CC(N)=O)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000880393971 653705224 /nfs/dbraw/zinc/70/52/24/653705224.db2.gz PQVKXVAFFYHXID-LLVKDONJSA-N 1 2 388.295 2.137 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](CC(N)=O)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000880393971 653705226 /nfs/dbraw/zinc/70/52/26/653705226.db2.gz PQVKXVAFFYHXID-LLVKDONJSA-N 1 2 388.295 2.137 20 0 GEADLO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCc2ncncc2C1 ZINC000880598948 653708711 /nfs/dbraw/zinc/70/87/11/653708711.db2.gz DKCOKXNXBUXEDM-CQSZACIVSA-N 1 2 382.233 2.176 20 0 GEADLO O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCc2ncncc2C1 ZINC000880598948 653708713 /nfs/dbraw/zinc/70/87/13/653708713.db2.gz DKCOKXNXBUXEDM-CQSZACIVSA-N 1 2 382.233 2.176 20 0 GEADLO CNC(=O)[C@H]1CC[N@H+](Cn2c3cc(Cl)ccc3n(CCOC)c2=S)C1 ZINC000817371072 653709233 /nfs/dbraw/zinc/70/92/33/653709233.db2.gz WWWVCKPWUDYMTM-LBPRGKRZSA-N 1 2 382.917 2.497 20 0 GEADLO CNC(=O)[C@H]1CC[N@@H+](Cn2c3cc(Cl)ccc3n(CCOC)c2=S)C1 ZINC000817371072 653709235 /nfs/dbraw/zinc/70/92/35/653709235.db2.gz WWWVCKPWUDYMTM-LBPRGKRZSA-N 1 2 382.917 2.497 20 0 GEADLO Cn1ncc(Br)c1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O ZINC000785511635 653711101 /nfs/dbraw/zinc/71/11/01/653711101.db2.gz OXGMJDIPUIIWPD-HNNXBMFYSA-N 1 2 377.286 2.463 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1c2c(ccc1Br)OCC2 ZINC000880802905 653714594 /nfs/dbraw/zinc/71/45/94/653714594.db2.gz VRRWSBFVPTXALX-GFCCVEGCSA-N 1 2 397.317 2.141 20 0 GEADLO Cn1c[nH+]cc1CN1C(=O)N[C@@]2(CCc3cc(Br)ccc3C2)C1=O ZINC000863509972 653714876 /nfs/dbraw/zinc/71/48/76/653714876.db2.gz IGBHOPIYXMKCMX-QGZVFWFLSA-N 1 2 389.253 2.162 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cccc2scnc21 ZINC000841508012 653723186 /nfs/dbraw/zinc/72/31/86/653723186.db2.gz KLFVWUVRIZIQRU-UHFFFAOYSA-N 1 2 383.539 2.275 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c(F)cc1Cl ZINC000841516473 653725176 /nfs/dbraw/zinc/72/51/76/653725176.db2.gz HAIFFEOAIRCTDU-UHFFFAOYSA-N 1 2 390.864 2.196 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c(F)cc1Cl ZINC000841516473 653725180 /nfs/dbraw/zinc/72/51/80/653725180.db2.gz HAIFFEOAIRCTDU-UHFFFAOYSA-N 1 2 390.864 2.196 20 0 GEADLO CC[C@@H](C[N@H+](C)CN1C(=O)C(=O)N(C)C1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787243716 653735803 /nfs/dbraw/zinc/73/58/03/653735803.db2.gz CJWCLEJLILIHFC-JTQLQIEISA-N 1 2 388.251 2.461 20 0 GEADLO CC[C@@H](C[N@@H+](C)CN1C(=O)C(=O)N(C)C1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787243716 653735804 /nfs/dbraw/zinc/73/58/04/653735804.db2.gz CJWCLEJLILIHFC-JTQLQIEISA-N 1 2 388.251 2.461 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000841572685 653736665 /nfs/dbraw/zinc/73/66/65/653736665.db2.gz GDGIOAYWTNTTRL-NWDGAFQWSA-N 1 2 398.472 2.374 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000841572685 653736668 /nfs/dbraw/zinc/73/66/68/653736668.db2.gz GDGIOAYWTNTTRL-NWDGAFQWSA-N 1 2 398.472 2.374 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1coc(-c2cccs2)n1 ZINC000818945174 653738844 /nfs/dbraw/zinc/73/88/44/653738844.db2.gz WFJGYOBZPXLAHZ-UHFFFAOYSA-N 1 2 386.495 2.249 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)Cn3cccn3)cc2Br)CC1 ZINC000787535967 653739639 /nfs/dbraw/zinc/73/96/39/653739639.db2.gz MCLBDXVTQOYZKO-UHFFFAOYSA-N 1 2 378.274 2.036 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)c3ccc[n+]([O-])c3)cc2Br)CC1 ZINC000787536964 653739840 /nfs/dbraw/zinc/73/98/40/653739840.db2.gz TZNHVVDFQCVJPN-UHFFFAOYSA-N 1 2 391.269 2.087 20 0 GEADLO O=C(Cn1ccc(Br)cc1=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000864562617 653741201 /nfs/dbraw/zinc/74/12/01/653741201.db2.gz RKJKHJDTSDJKDP-UHFFFAOYSA-N 1 2 396.310 2.017 20 0 GEADLO CNC(=O)CCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787671500 653741923 /nfs/dbraw/zinc/74/19/23/653741923.db2.gz PTYNJELULQQLMA-UHFFFAOYSA-N 1 2 397.317 2.056 20 0 GEADLO CN(C)[C@H](C(=O)Nc1cc2c(cc1Br)OCCO2)c1c[nH+]cn1C ZINC000864657423 653742879 /nfs/dbraw/zinc/74/28/79/653742879.db2.gz OTNHERNLTYGDSP-HNNXBMFYSA-N 1 2 395.257 2.195 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000819096565 653743164 /nfs/dbraw/zinc/74/31/64/653743164.db2.gz QNHIWOITEDMFRM-UHFFFAOYSA-N 1 2 388.433 2.008 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(Nc2ncc(F)c(-c3ccsc3)n2)CC1 ZINC000842028270 653743991 /nfs/dbraw/zinc/74/39/91/653743991.db2.gz QYYLDKPXIAVOJA-UHFFFAOYSA-N 1 2 384.502 2.265 20 0 GEADLO CC(C)N(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787895756 653745535 /nfs/dbraw/zinc/74/55/35/653745535.db2.gz HKWNFKFCAPHSHL-UHFFFAOYSA-N 1 2 397.317 2.006 20 0 GEADLO CC(C)n1ncc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1I ZINC000864883827 653747781 /nfs/dbraw/zinc/74/77/81/653747781.db2.gz GRZMQNNAEQGXDE-SNVBAGLBSA-N 1 2 387.225 2.084 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000864983908 653750440 /nfs/dbraw/zinc/75/04/40/653750440.db2.gz ACYWHHCZWATUNZ-OYADATRGSA-N 1 2 381.270 2.277 20 0 GEADLO CCOc1cc(Br)c(F)cc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000819487562 653751473 /nfs/dbraw/zinc/75/14/73/653751473.db2.gz OFYCAKMDJTXXPU-NSHDSACASA-N 1 2 377.254 2.092 20 0 GEADLO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(Br)n[nH]1 ZINC000788271056 653753649 /nfs/dbraw/zinc/75/36/49/653753649.db2.gz QLAFFUPYLUZEED-UHFFFAOYSA-N 1 2 378.274 2.485 20 0 GEADLO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1cccnc1Br ZINC000865409982 653764702 /nfs/dbraw/zinc/76/47/02/653764702.db2.gz CHOLWOHJAHPIQQ-UHFFFAOYSA-N 1 2 384.299 2.384 20 0 GEADLO Cc1ccnc(C[NH2+]CCNS(=O)(=O)c2ccccc2)c1Br ZINC000865433565 653765163 /nfs/dbraw/zinc/76/51/63/653765163.db2.gz UJXKTFXZCOWEIB-UHFFFAOYSA-N 1 2 384.299 2.221 20 0 GEADLO Cc1ccnc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1Br ZINC000865482504 653766558 /nfs/dbraw/zinc/76/65/58/653766558.db2.gz YKSXXKBZORMVAP-YPMHNXCESA-N 1 2 378.274 2.170 20 0 GEADLO O=C(CCNc1cccc(Br)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000865486551 653766577 /nfs/dbraw/zinc/76/65/77/653766577.db2.gz AIEQCNQKXQWIHU-UHFFFAOYSA-N 1 2 390.285 2.390 20 0 GEADLO CO[C@@H](CS(=O)(=O)Nc1c(C)[nH+]c2ccc(Cl)cn21)C1CCOCC1 ZINC000842804318 653768596 /nfs/dbraw/zinc/76/85/96/653768596.db2.gz OGFWCBYFRKBKEO-AWEZNQCLSA-N 1 2 387.889 2.479 20 0 GEADLO O=S(=O)(/C=C\c1cccc(Br)c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000842863530 653771027 /nfs/dbraw/zinc/77/10/27/653771027.db2.gz HOFBLDBCELSWFF-KMSCOEIWSA-N 1 2 381.242 2.289 20 0 GEADLO O=S(=O)(/C=C\c1cccc(Br)c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000842863529 653771031 /nfs/dbraw/zinc/77/10/31/653771031.db2.gz HOFBLDBCELSWFF-DJFZKKHWSA-N 1 2 381.242 2.289 20 0 GEADLO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000842864980 653771040 /nfs/dbraw/zinc/77/10/40/653771040.db2.gz QHDYAWHQJMRRHB-VVEJJEBESA-N 1 2 381.242 2.289 20 0 GEADLO C[C@H](O)CCC[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000789306412 653771482 /nfs/dbraw/zinc/77/14/82/653771482.db2.gz OLINKIKVVWVKNQ-ZDUSSCGKSA-N 1 2 380.432 2.173 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(Cl)c(F)c1 ZINC000842968199 653775579 /nfs/dbraw/zinc/77/55/79/653775579.db2.gz UTQRRNOKJQUFDV-OCCSQVGLSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(Cl)c(F)c1 ZINC000842968199 653775581 /nfs/dbraw/zinc/77/55/81/653775581.db2.gz UTQRRNOKJQUFDV-OCCSQVGLSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cc(Br)oc1C ZINC000842969848 653775824 /nfs/dbraw/zinc/77/58/24/653775824.db2.gz XXZSCRHDWAIVJZ-ZYHUDNBSSA-N 1 2 376.247 2.243 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cc(Br)oc1C ZINC000842969848 653775827 /nfs/dbraw/zinc/77/58/27/653775827.db2.gz XXZSCRHDWAIVJZ-ZYHUDNBSSA-N 1 2 376.247 2.243 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(F)c(Br)c1 ZINC000842971289 653776007 /nfs/dbraw/zinc/77/60/07/653776007.db2.gz QFGURFXSZXVIAM-YPMHNXCESA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(F)c(Br)c1 ZINC000842971289 653776009 /nfs/dbraw/zinc/77/60/09/653776009.db2.gz QFGURFXSZXVIAM-YPMHNXCESA-N 1 2 390.249 2.481 20 0 GEADLO COc1sc(C[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)cc1Br ZINC000865867071 653777609 /nfs/dbraw/zinc/77/76/09/653777609.db2.gz WMBMFPJPQGQVHD-UHFFFAOYSA-N 1 2 386.271 2.377 20 0 GEADLO COc1ccc(C[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)cc1Br ZINC000865867229 653777896 /nfs/dbraw/zinc/77/78/96/653777896.db2.gz GYCDQBSAEAQNQW-UHFFFAOYSA-N 1 2 380.242 2.316 20 0 GEADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1cc(Br)no1 ZINC000865940619 653780852 /nfs/dbraw/zinc/78/08/52/653780852.db2.gz KOMKGOSXAOUVDH-UHFFFAOYSA-N 1 2 393.285 2.331 20 0 GEADLO COCC[NH2+]Cc1nc(Cc2ccc(OC)c(OC)c2Br)no1 ZINC000843202576 653781380 /nfs/dbraw/zinc/78/13/80/653781380.db2.gz IRCYCSMOMBVXRB-UHFFFAOYSA-N 1 2 386.246 2.176 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3(Br)CC3)C2)cc(OC)c1 ZINC000820751135 653781940 /nfs/dbraw/zinc/78/19/40/653781940.db2.gz KDFDUUZNTUYAHT-CYBMUJFWSA-N 1 2 383.286 2.322 20 0 GEADLO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3(Br)CC3)C2)cc(OC)c1 ZINC000820751135 653781943 /nfs/dbraw/zinc/78/19/43/653781943.db2.gz KDFDUUZNTUYAHT-CYBMUJFWSA-N 1 2 383.286 2.322 20 0 GEADLO O=C1c2ccc(S(=O)(=O)NCC[NH+]3CCCCC3)cc2CC1(Cl)Cl ZINC000820786113 653783021 /nfs/dbraw/zinc/78/30/21/653783021.db2.gz VDQFXYXIMLNPKB-UHFFFAOYSA-N 1 2 391.320 2.364 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(Br)no2)cc1 ZINC000866025286 653783767 /nfs/dbraw/zinc/78/37/67/653783767.db2.gz IGINAMCKUUJPHV-LBPRGKRZSA-N 1 2 380.242 2.450 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(Br)no2)cc1 ZINC000866025286 653783771 /nfs/dbraw/zinc/78/37/71/653783771.db2.gz IGINAMCKUUJPHV-LBPRGKRZSA-N 1 2 380.242 2.450 20 0 GEADLO O=C(c1cc(Br)cc(F)c1O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000866380516 653792133 /nfs/dbraw/zinc/79/21/33/653792133.db2.gz GMAHGTKLHZJFKQ-NSHDSACASA-N 1 2 387.249 2.088 20 0 GEADLO COC1CC[NH+](CCNC(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000866415788 653794038 /nfs/dbraw/zinc/79/40/38/653794038.db2.gz FEPQIMIYIYKISX-UHFFFAOYSA-N 1 2 375.238 2.134 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843818686 653794909 /nfs/dbraw/zinc/79/49/09/653794909.db2.gz XPXZZIHAKMTXQC-NSHDSACASA-N 1 2 397.249 2.237 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000882680245 653797648 /nfs/dbraw/zinc/79/76/48/653797648.db2.gz RFGMCAPDMWPDOR-XDHUDOTRSA-N 1 2 387.571 2.335 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000882680245 653797650 /nfs/dbraw/zinc/79/76/50/653797650.db2.gz RFGMCAPDMWPDOR-XDHUDOTRSA-N 1 2 387.571 2.335 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844144624 653802291 /nfs/dbraw/zinc/80/22/91/653802291.db2.gz MYRWNKLCJMSHSO-WBMJQRKESA-N 1 2 378.270 2.400 20 0 GEADLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000882765432 653805801 /nfs/dbraw/zinc/80/58/01/653805801.db2.gz ZQWFMJTVNFSYAY-GXTWGEPZSA-N 1 2 376.906 2.126 20 0 GEADLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000882765432 653805805 /nfs/dbraw/zinc/80/58/05/653805805.db2.gz ZQWFMJTVNFSYAY-GXTWGEPZSA-N 1 2 376.906 2.126 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000894984662 653811023 /nfs/dbraw/zinc/81/10/23/653811023.db2.gz MGKVLXSHTIAKFM-SWLSCSKDSA-N 1 2 389.281 2.398 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000894984662 653811026 /nfs/dbraw/zinc/81/10/26/653811026.db2.gz MGKVLXSHTIAKFM-SWLSCSKDSA-N 1 2 389.281 2.398 20 0 GEADLO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882838237 653813191 /nfs/dbraw/zinc/81/31/91/653813191.db2.gz BJVGMNHJYMLSSY-OYLFLEFRSA-N 1 2 384.527 2.355 20 0 GEADLO C[NH+]1CCC(CN2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)CC1 ZINC000895080844 653816338 /nfs/dbraw/zinc/81/63/38/653816338.db2.gz PHSJDGAQIIIIJK-NEPJUHHUSA-N 1 2 375.357 2.402 20 0 GEADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000882993191 653821209 /nfs/dbraw/zinc/82/12/09/653821209.db2.gz KOBMWJXPRBLMOH-ZDUSSCGKSA-N 1 2 387.241 2.491 20 0 GEADLO Cn1cc(C[NH2+][C@H]2CCc3ccccc3NC2=O)c(I)n1 ZINC000895184413 653821822 /nfs/dbraw/zinc/82/18/22/653821822.db2.gz URUHVVMOKCGPCR-ZDUSSCGKSA-N 1 2 396.232 2.068 20 0 GEADLO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000883027058 653822808 /nfs/dbraw/zinc/82/28/08/653822808.db2.gz OALBWZHKAIRLKS-SECBINFHSA-N 1 2 391.225 2.178 20 0 GEADLO NC(=O)[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(Br)c1 ZINC000791822734 653825927 /nfs/dbraw/zinc/82/59/27/653825927.db2.gz LTYPPAXHBRZXHQ-CQSZACIVSA-N 1 2 388.225 2.445 20 0 GEADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCn2c(Br)cnc2C1 ZINC000822440060 653828251 /nfs/dbraw/zinc/82/82/51/653828251.db2.gz SVMFSDHQWITUPC-SECBINFHSA-N 1 2 392.179 2.378 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000895345689 653829419 /nfs/dbraw/zinc/82/94/19/653829419.db2.gz ZUCFIIPXMYIDNU-AWEZNQCLSA-N 1 2 382.258 2.434 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000895345689 653829421 /nfs/dbraw/zinc/82/94/21/653829421.db2.gz ZUCFIIPXMYIDNU-AWEZNQCLSA-N 1 2 382.258 2.434 20 0 GEADLO Nc1cc(COC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)cc[nH+]1 ZINC000791990806 653831265 /nfs/dbraw/zinc/83/12/65/653831265.db2.gz KGZNAMCNQUKHJB-UHFFFAOYSA-N 1 2 381.841 2.069 20 0 GEADLO O=C(NCc1cc(O)ccc1Cl)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000883183456 653831757 /nfs/dbraw/zinc/83/17/57/653831757.db2.gz BVZYICFXRPIUFH-QGZVFWFLSA-N 1 2 385.917 2.053 20 0 GEADLO O=C(NCC[C@@H]1CCCC1(F)F)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000883184168 653831770 /nfs/dbraw/zinc/83/17/70/653831770.db2.gz QIMANLDCCUOOQW-HOCLYGCPSA-N 1 2 377.501 2.319 20 0 GEADLO CC(C)[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cc(F)cc(Br)c1 ZINC000883304641 653835165 /nfs/dbraw/zinc/83/51/65/653835165.db2.gz BNKJRMXXNCIADU-AWEZNQCLSA-N 1 2 396.264 2.410 20 0 GEADLO Cn1nc(Br)c2c1ncnc2NCc1nc(C[NH+](C)C)cs1 ZINC000895483812 653837610 /nfs/dbraw/zinc/83/76/10/653837610.db2.gz CCAGJHMEJZTJKY-UHFFFAOYSA-N 1 2 382.291 2.256 20 0 GEADLO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000883379892 653837901 /nfs/dbraw/zinc/83/79/01/653837901.db2.gz SRYORZUBJQNLHY-HOMQSWHASA-N 1 2 375.281 2.239 20 0 GEADLO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3nc(Br)nn3C)C2)cc1C ZINC000895503062 653838434 /nfs/dbraw/zinc/83/84/34/653838434.db2.gz UKPSGNZKLCLVKK-GFCCVEGCSA-N 1 2 394.273 2.177 20 0 GEADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000792257009 653838840 /nfs/dbraw/zinc/83/88/40/653838840.db2.gz VGYQKNUZBINICY-IZHWHUGBSA-N 1 2 393.336 2.204 20 0 GEADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000822746300 653839154 /nfs/dbraw/zinc/83/91/54/653839154.db2.gz HSGDVZUGYXOKSR-LBPRGKRZSA-N 1 2 391.559 2.343 20 0 GEADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000822746300 653839155 /nfs/dbraw/zinc/83/91/55/653839155.db2.gz HSGDVZUGYXOKSR-LBPRGKRZSA-N 1 2 391.559 2.343 20 0 GEADLO C[N@@H+]1CCC[C@H](CNS(=O)(=O)N=S2(=O)CCCC2)[C@@H]1c1cccs1 ZINC000866863453 653840370 /nfs/dbraw/zinc/84/03/70/653840370.db2.gz ACJSXZDGOKAFRN-UKRRQHHQSA-N 1 2 391.584 2.227 20 0 GEADLO C[N@H+]1CCC[C@H](CNS(=O)(=O)N=S2(=O)CCCC2)[C@@H]1c1cccs1 ZINC000866863453 653840372 /nfs/dbraw/zinc/84/03/72/653840372.db2.gz ACJSXZDGOKAFRN-UKRRQHHQSA-N 1 2 391.584 2.227 20 0 GEADLO CS(=O)(=O)c1ccc2ncnc(N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)c2c1 ZINC000895568806 653841240 /nfs/dbraw/zinc/84/12/40/653841240.db2.gz KIZVIOKKIIEUGX-HZPDHXFCSA-N 1 2 378.523 2.025 20 0 GEADLO CS(=O)(=O)c1ccc2ncnc(N[C@@H]3CCC[N@H+]4CCSC[C@H]34)c2c1 ZINC000895568806 653841243 /nfs/dbraw/zinc/84/12/43/653841243.db2.gz KIZVIOKKIIEUGX-HZPDHXFCSA-N 1 2 378.523 2.025 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000895579143 653841810 /nfs/dbraw/zinc/84/18/10/653841810.db2.gz YMFDTOBMEMGPDI-MRXNPFEDSA-N 1 2 385.258 2.171 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000895579143 653841812 /nfs/dbraw/zinc/84/18/12/653841812.db2.gz YMFDTOBMEMGPDI-MRXNPFEDSA-N 1 2 385.258 2.171 20 0 GEADLO C[C@@H](CC(=O)OCc1cc(=O)n2cc(Br)ccc2n1)n1cc[nH+]c1 ZINC000845277729 653842338 /nfs/dbraw/zinc/84/23/38/653842338.db2.gz ATHJQMCNYJRDLL-NSHDSACASA-N 1 2 391.225 2.348 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)s1 ZINC000822855543 653843403 /nfs/dbraw/zinc/84/34/03/653843403.db2.gz ISDSFOVKOJOVOJ-UHFFFAOYSA-N 1 2 380.535 2.482 20 0 GEADLO CSCC1(CC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000845352593 653844800 /nfs/dbraw/zinc/84/48/00/653844800.db2.gz NIPIXMOGAWISQN-UHFFFAOYSA-N 1 2 382.551 2.469 20 0 GEADLO COc1nc(Br)ccc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000822906111 653845524 /nfs/dbraw/zinc/84/55/24/653845524.db2.gz CFBNYYCIGRRAMU-GHMZBOCLSA-N 1 2 387.278 2.083 20 0 GEADLO COc1nc(Br)ccc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000822906111 653845527 /nfs/dbraw/zinc/84/55/27/653845527.db2.gz CFBNYYCIGRRAMU-GHMZBOCLSA-N 1 2 387.278 2.083 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000822952087 653847207 /nfs/dbraw/zinc/84/72/07/653847207.db2.gz LWOQVZXUUYIVLA-VIFPVBQESA-N 1 2 383.461 2.443 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000822952087 653847209 /nfs/dbraw/zinc/84/72/09/653847209.db2.gz LWOQVZXUUYIVLA-VIFPVBQESA-N 1 2 383.461 2.443 20 0 GEADLO Brc1cnc([C@@H]2CCCN2c2nc(N3CCOCC3)cc[nH+]2)nc1 ZINC000895713783 653847356 /nfs/dbraw/zinc/84/73/56/653847356.db2.gz NLXFQLDAGUIXQL-ZDUSSCGKSA-N 1 2 391.273 2.207 20 0 GEADLO CO[C@]1(CNc2nc(C)[nH+]c(NC[C@@]3(OC)CCSC3)n2)CCSC1 ZINC000895751550 653848483 /nfs/dbraw/zinc/84/84/83/653848483.db2.gz SJGYCERUUVSUID-HOTGVXAUSA-N 1 2 385.559 2.048 20 0 GEADLO C[C@@H]1C[C@@H](NS(=O)(=O)N=S2(=O)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000866929754 653851166 /nfs/dbraw/zinc/85/11/66/653851166.db2.gz HRAOTMFORMCADF-WBVHZDCISA-N 1 2 385.555 2.136 20 0 GEADLO C[C@@H]1C[C@@H](NS(=O)(=O)N=S2(=O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000866929754 653851167 /nfs/dbraw/zinc/85/11/67/653851167.db2.gz HRAOTMFORMCADF-WBVHZDCISA-N 1 2 385.555 2.136 20 0 GEADLO C[C@H]1C[C@H](NS(=O)(=O)c2nc[nH]c2Br)C[N@@H+]1Cc1ccccc1 ZINC000866953182 653854014 /nfs/dbraw/zinc/85/40/14/653854014.db2.gz NXOJCOOFXQIPAU-AAEUAGOBSA-N 1 2 399.314 2.114 20 0 GEADLO C[C@H]1C[C@H](NS(=O)(=O)c2nc[nH]c2Br)C[N@H+]1Cc1ccccc1 ZINC000866953182 653854016 /nfs/dbraw/zinc/85/40/16/653854016.db2.gz NXOJCOOFXQIPAU-AAEUAGOBSA-N 1 2 399.314 2.114 20 0 GEADLO CC(=O)N[C@@H](c1nc(Cc2c[nH+]cn2C)no1)c1cccc(Br)c1 ZINC000866954755 653854401 /nfs/dbraw/zinc/85/44/01/653854401.db2.gz KJQGABIWHCXAEW-OAHLLOKOSA-N 1 2 390.241 2.382 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)C(=O)N1CCCCC1 ZINC000792895589 653854882 /nfs/dbraw/zinc/85/48/82/653854882.db2.gz AZDJGKPFMFSBKP-ZENOOKHLSA-N 1 2 376.328 2.019 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)C(=O)N1CCCCC1 ZINC000792895589 653854883 /nfs/dbraw/zinc/85/48/83/653854883.db2.gz AZDJGKPFMFSBKP-ZENOOKHLSA-N 1 2 376.328 2.019 20 0 GEADLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000895926630 653857008 /nfs/dbraw/zinc/85/70/08/653857008.db2.gz IWLUGJFXGTYPGV-ZYHUDNBSSA-N 1 2 377.304 2.096 20 0 GEADLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000895926630 653857013 /nfs/dbraw/zinc/85/70/13/653857013.db2.gz IWLUGJFXGTYPGV-ZYHUDNBSSA-N 1 2 377.304 2.096 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2cc(Br)ccc2Cl)C1 ZINC000867011371 653865283 /nfs/dbraw/zinc/86/52/83/653865283.db2.gz OGGYXJKHFPTSDK-SNVBAGLBSA-N 1 2 384.679 2.142 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2cc(Br)ccc2Cl)C1 ZINC000867011371 653865285 /nfs/dbraw/zinc/86/52/85/653865285.db2.gz OGGYXJKHFPTSDK-SNVBAGLBSA-N 1 2 384.679 2.142 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000896187698 653867900 /nfs/dbraw/zinc/86/79/00/653867900.db2.gz RYMHQNYXMNMVHM-PWSUYJOCSA-N 1 2 379.448 2.324 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000793255441 653872631 /nfs/dbraw/zinc/87/26/31/653872631.db2.gz KVWDKNPTXZPXLA-OAHLLOKOSA-N 1 2 392.253 2.321 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc2ccc(Br)cc2c(=O)[nH]1 ZINC000884505434 653879423 /nfs/dbraw/zinc/87/94/23/653879423.db2.gz HLPOIMFWEVWPIH-YPMHNXCESA-N 1 2 393.285 2.397 20 0 GEADLO C[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896537440 653882983 /nfs/dbraw/zinc/88/29/83/653882983.db2.gz YQEPMKBUBRVKAG-NOLJZWGESA-N 1 2 396.329 2.066 20 0 GEADLO C[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)[C@@H]1CN(C)CC[N@H+]1C ZINC000896537440 653882986 /nfs/dbraw/zinc/88/29/86/653882986.db2.gz YQEPMKBUBRVKAG-NOLJZWGESA-N 1 2 396.329 2.066 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896534224 653883134 /nfs/dbraw/zinc/88/31/34/653883134.db2.gz KYPWMWWSUSICTL-ZFVVBOAOSA-N 1 2 380.330 2.303 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896534224 653883136 /nfs/dbraw/zinc/88/31/36/653883136.db2.gz KYPWMWWSUSICTL-ZFVVBOAOSA-N 1 2 380.330 2.303 20 0 GEADLO C[C@@H](NC(=O)Cc1c(F)ccc(Br)c1F)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896541530 653883656 /nfs/dbraw/zinc/88/36/56/653883656.db2.gz KNKXHMZIYFDEAX-YGRLFVJLSA-N 1 2 390.272 2.020 20 0 GEADLO C[C@@H](NC(=O)Cc1c(F)ccc(Br)c1F)[C@@H]1CN(C)CC[N@H+]1C ZINC000896541530 653883659 /nfs/dbraw/zinc/88/36/59/653883659.db2.gz KNKXHMZIYFDEAX-YGRLFVJLSA-N 1 2 390.272 2.020 20 0 GEADLO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000896754682 653893770 /nfs/dbraw/zinc/89/37/70/653893770.db2.gz GRSGEZJQNNFFKV-WBMJQRKESA-N 1 2 395.297 2.331 20 0 GEADLO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000896754682 653893771 /nfs/dbraw/zinc/89/37/71/653893771.db2.gz GRSGEZJQNNFFKV-WBMJQRKESA-N 1 2 395.297 2.331 20 0 GEADLO Cc1[nH]c(CNC(=O)c2cnn(C(C)C)c2I)[nH+]c1C ZINC000896905081 653899073 /nfs/dbraw/zinc/89/90/73/653899073.db2.gz AUNZOOXTJXAKII-UHFFFAOYSA-N 1 2 387.225 2.339 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000896980583 653901467 /nfs/dbraw/zinc/90/14/67/653901467.db2.gz MRDCKPVCIGUBLQ-KOLCDFICSA-N 1 2 399.236 2.243 20 0 GEADLO O=C1N[C@H](C2CC[NH+](Cc3nc4ccccn4c3Br)CC2)CO1 ZINC000897025037 653904383 /nfs/dbraw/zinc/90/43/83/653904383.db2.gz URFBQAWJSZLSHK-ZDUSSCGKSA-N 1 2 379.258 2.417 20 0 GEADLO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2c(F)c(Cl)ccc2Br)C1 ZINC000897052976 653904864 /nfs/dbraw/zinc/90/48/64/653904864.db2.gz PHODURMXLTVAPH-MRVPVSSYSA-N 1 2 385.686 2.352 20 0 GEADLO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2c(F)c(Cl)ccc2Br)C1 ZINC000897052976 653904868 /nfs/dbraw/zinc/90/48/68/653904868.db2.gz PHODURMXLTVAPH-MRVPVSSYSA-N 1 2 385.686 2.352 20 0 GEADLO CCN1C[C@H](C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)OC1=O ZINC000846818963 653910839 /nfs/dbraw/zinc/91/08/39/653910839.db2.gz UGGRTYWQOOXFID-INIZCTEOSA-N 1 2 382.302 2.407 20 0 GEADLO Cc1cnc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(I)c1 ZINC000897219841 653911003 /nfs/dbraw/zinc/91/10/03/653911003.db2.gz OWKROEAFOIBPGY-KGLIPLIRSA-N 1 2 387.265 2.030 20 0 GEADLO Cc1cnc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(I)c1 ZINC000897219841 653911006 /nfs/dbraw/zinc/91/10/06/653911006.db2.gz OWKROEAFOIBPGY-KGLIPLIRSA-N 1 2 387.265 2.030 20 0 GEADLO Cc1cnc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(I)c1 ZINC000897219843 653911247 /nfs/dbraw/zinc/91/12/47/653911247.db2.gz OWKROEAFOIBPGY-ZIAGYGMSSA-N 1 2 387.265 2.030 20 0 GEADLO Cc1cnc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(I)c1 ZINC000897219843 653911250 /nfs/dbraw/zinc/91/12/50/653911250.db2.gz OWKROEAFOIBPGY-ZIAGYGMSSA-N 1 2 387.265 2.030 20 0 GEADLO CON(C)C(=O)[C@H](CCSC)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000846925478 653913298 /nfs/dbraw/zinc/91/32/98/653913298.db2.gz NVFYNNYYOZJIBK-LSDHHAIUSA-N 1 2 387.933 2.200 20 0 GEADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](CO)c2ccc(Br)cc2)[nH]n1 ZINC000897327415 653916297 /nfs/dbraw/zinc/91/62/97/653916297.db2.gz HOSTZNRBTIURDF-CVEARBPZSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](CO)c2ccc(Br)cc2)[nH]n1 ZINC000897327415 653916300 /nfs/dbraw/zinc/91/63/00/653916300.db2.gz HOSTZNRBTIURDF-CVEARBPZSA-N 1 2 393.285 2.402 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCOc3cccc(Br)c3C2)CCO1 ZINC000847304905 653923888 /nfs/dbraw/zinc/92/38/88/653923888.db2.gz FKOUPYFDMLCBCO-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCOc3cccc(Br)c3C2)CCO1 ZINC000847304905 653923892 /nfs/dbraw/zinc/92/38/92/653923892.db2.gz FKOUPYFDMLCBCO-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO FC(F)(F)CCCCNC(=S)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000794973235 653925963 /nfs/dbraw/zinc/92/59/63/653925963.db2.gz SRORNYBLRAYYGT-CQSZACIVSA-N 1 2 385.521 2.391 20 0 GEADLO CNC(=S)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000795034398 653927080 /nfs/dbraw/zinc/92/70/80/653927080.db2.gz MDPLLJIDBRUMLW-CYBMUJFWSA-N 1 2 389.306 2.350 20 0 GEADLO CNC(=S)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000795034398 653927084 /nfs/dbraw/zinc/92/70/84/653927084.db2.gz MDPLLJIDBRUMLW-CYBMUJFWSA-N 1 2 389.306 2.350 20 0 GEADLO O=C(c1nc(F)ccc1Br)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000847479537 653930464 /nfs/dbraw/zinc/93/04/64/653930464.db2.gz AATHTABOSVSDKG-LBPRGKRZSA-N 1 2 386.265 2.310 20 0 GEADLO CCOc1ccc(Br)c(C(=O)N[C@H](CO)c2c[nH+]cn2C)c1F ZINC000825531668 653932636 /nfs/dbraw/zinc/93/26/36/653932636.db2.gz NGLCOQOOYJWFOA-SNVBAGLBSA-N 1 2 386.221 2.184 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000897905023 653943027 /nfs/dbraw/zinc/94/30/27/653943027.db2.gz IUEVTGJKAJJFNU-TXEJJXNPSA-N 1 2 377.432 2.078 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000897905023 653943033 /nfs/dbraw/zinc/94/30/33/653943033.db2.gz IUEVTGJKAJJFNU-TXEJJXNPSA-N 1 2 377.432 2.078 20 0 GEADLO C[C@@]1(CS(=O)(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1(Cl)Cl ZINC000867529676 653946261 /nfs/dbraw/zinc/94/62/61/653946261.db2.gz LSDNRODIRPEPJO-MCIONIFRSA-N 1 2 397.368 2.133 20 0 GEADLO COCCOc1ccc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)o1 ZINC000897978852 653948037 /nfs/dbraw/zinc/94/80/37/653948037.db2.gz VFVOCNRVJCCVHU-ZDUSSCGKSA-N 1 2 396.241 2.115 20 0 GEADLO COC(=O)c1cc(C2C[NH+](Cc3cn4ccc(Br)cc4n3)C2)[nH]n1 ZINC000898004661 653949560 /nfs/dbraw/zinc/94/95/60/653949560.db2.gz JJUPVNUFMJZLFU-UHFFFAOYSA-N 1 2 390.241 2.206 20 0 GEADLO CCc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(=O)OC)ccc1Br ZINC000898081546 653952889 /nfs/dbraw/zinc/95/28/89/653952889.db2.gz JXWOBOSOHCZQFJ-CQSZACIVSA-N 1 2 380.242 2.180 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)CN1Cc2cccc(Br)c2C1=O ZINC000795455596 653954289 /nfs/dbraw/zinc/95/42/89/653954289.db2.gz JISXWSXXBMQXAD-ZDUSSCGKSA-N 1 2 382.302 2.015 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)CN1Cc2cccc(Br)c2C1=O ZINC000795455595 653954318 /nfs/dbraw/zinc/95/43/18/653954318.db2.gz JISXWSXXBMQXAD-CYBMUJFWSA-N 1 2 382.302 2.015 20 0 GEADLO CO[C@H](C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000795751771 653965119 /nfs/dbraw/zinc/96/51/19/653965119.db2.gz ZHAUZMOUNAAYRK-BZNIZROVSA-N 1 2 384.274 2.140 20 0 GEADLO CO[C@H](C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000795751771 653965120 /nfs/dbraw/zinc/96/51/20/653965120.db2.gz ZHAUZMOUNAAYRK-BZNIZROVSA-N 1 2 384.274 2.140 20 0 GEADLO Cn1nc(Br)cc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000826894050 653965270 /nfs/dbraw/zinc/96/52/70/653965270.db2.gz ICTRYWTWDGABMA-SJORKVTESA-N 1 2 391.313 2.268 20 0 GEADLO Cn1nc(Br)cc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000826894050 653965276 /nfs/dbraw/zinc/96/52/76/653965276.db2.gz ICTRYWTWDGABMA-SJORKVTESA-N 1 2 391.313 2.268 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000898422624 653969534 /nfs/dbraw/zinc/96/95/34/653969534.db2.gz LGEJOQBARPWPOJ-IOASZLSFSA-N 1 2 389.974 2.389 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000898422624 653969538 /nfs/dbraw/zinc/96/95/38/653969538.db2.gz LGEJOQBARPWPOJ-IOASZLSFSA-N 1 2 389.974 2.389 20 0 GEADLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000867679699 653972291 /nfs/dbraw/zinc/97/22/91/653972291.db2.gz JEGGHXPCDZPLGV-UHFFFAOYSA-N 1 2 378.376 2.445 20 0 GEADLO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898886962 653991032 /nfs/dbraw/zinc/99/10/32/653991032.db2.gz HKGYHXGDVNKIIQ-FZMZJTMJSA-N 1 2 394.269 2.241 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000898895534 653991368 /nfs/dbraw/zinc/99/13/68/653991368.db2.gz PKSSYVVJPXRDII-JTQLQIEISA-N 1 2 377.495 2.155 20 0 GEADLO C[C@H](C(=O)NC1(c2ncc(Br)cn2)CCC1)[NH+]1CCSCC1 ZINC000886839028 654004296 /nfs/dbraw/zinc/00/42/96/654004296.db2.gz RMZCOXXAVGVIQF-LLVKDONJSA-N 1 2 385.331 2.172 20 0 GEADLO O=C(NC1(c2ncc(Br)cn2)CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000886840960 654004604 /nfs/dbraw/zinc/00/46/04/654004604.db2.gz XOEMMFPAIDBBJX-NSHDSACASA-N 1 2 376.258 2.194 20 0 GEADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000867910805 654006514 /nfs/dbraw/zinc/00/65/14/654006514.db2.gz AYIVBGGUZOBODC-ZFWWWQNUSA-N 1 2 379.258 2.309 20 0 GEADLO O=C(NCc1ccsc1C(F)(F)F)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000827797940 654008405 /nfs/dbraw/zinc/00/84/05/654008405.db2.gz NGTWYKJJBJJTTH-OLZOCXBDSA-N 1 2 378.416 2.263 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cn2ccnc12 ZINC000868274657 654026801 /nfs/dbraw/zinc/02/68/01/654026801.db2.gz FZBGYYZIAKEGRC-GXTWGEPZSA-N 1 2 393.285 2.032 20 0 GEADLO CC1=C(Br)CN([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000797527327 654035198 /nfs/dbraw/zinc/03/51/98/654035198.db2.gz NQPPULCITBKAKU-OAHLLOKOSA-N 1 2 393.329 2.493 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)NCCc1c[nH]c2cccc(Br)c12 ZINC000868424614 654035301 /nfs/dbraw/zinc/03/53/01/654035301.db2.gz RJQZMBQIZFOVIR-DJWKRKHSSA-N 1 2 392.297 2.478 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)NCCc1c[nH]c2cccc(Br)c12 ZINC000868424615 654035367 /nfs/dbraw/zinc/03/53/67/654035367.db2.gz RJQZMBQIZFOVIR-GORDUTHDSA-N 1 2 392.297 2.478 20 0 GEADLO O=C(NCc1ccc(Br)cn1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000868435568 654035586 /nfs/dbraw/zinc/03/55/86/654035586.db2.gz ACZXVTWAIRRHBI-AWEZNQCLSA-N 1 2 376.258 2.317 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000868587805 654045045 /nfs/dbraw/zinc/04/50/45/654045045.db2.gz XDQYFQLUEQBAHG-UPHRSURJSA-N 1 2 386.279 2.327 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CCO1 ZINC000798108450 654050733 /nfs/dbraw/zinc/05/07/33/654050733.db2.gz XCPRKBHVFPYNNS-VBNZEHGJSA-N 1 2 382.302 2.325 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CCO1 ZINC000798108450 654050736 /nfs/dbraw/zinc/05/07/36/654050736.db2.gz XCPRKBHVFPYNNS-VBNZEHGJSA-N 1 2 382.302 2.325 20 0 GEADLO O=C(NC[C@@H]1CC1(Cl)Cl)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000900120671 654050935 /nfs/dbraw/zinc/05/09/35/654050935.db2.gz DTRNVKXAJLUHSJ-JSGCOSHPSA-N 1 2 387.311 2.327 20 0 GEADLO O=C(NC[C@@H]1CC1(Cl)Cl)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000900120671 654050938 /nfs/dbraw/zinc/05/09/38/654050938.db2.gz DTRNVKXAJLUHSJ-JSGCOSHPSA-N 1 2 387.311 2.327 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000798168564 654052409 /nfs/dbraw/zinc/05/24/09/654052409.db2.gz KXDBQKBITIQCTQ-SNVBAGLBSA-N 1 2 396.504 2.358 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)[C@@]2(C)CC2(Br)Br)CCO1 ZINC000849965493 654062975 /nfs/dbraw/zinc/06/29/75/654062975.db2.gz AYMRFXHGKJPDLL-MWLCHTKSSA-N 1 2 385.096 2.146 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@@]2(C)CC2(Br)Br)CCO1 ZINC000849965493 654062980 /nfs/dbraw/zinc/06/29/80/654062980.db2.gz AYMRFXHGKJPDLL-MWLCHTKSSA-N 1 2 385.096 2.146 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000828983496 654056850 /nfs/dbraw/zinc/05/68/50/654056850.db2.gz MHXKHNDUYHJQNL-RRFJBIMHSA-N 1 2 392.253 2.107 20 0 GEADLO CCOC(=O)[C@@H]1CSCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000798258589 654057424 /nfs/dbraw/zinc/05/74/24/654057424.db2.gz WHRRFXNTGLQYOS-AWEZNQCLSA-N 1 2 379.507 2.341 20 0 GEADLO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000900447051 654064242 /nfs/dbraw/zinc/06/42/42/654064242.db2.gz QWAQCDZFMSPOEE-UHFFFAOYSA-N 1 2 382.251 2.248 20 0 GEADLO O=C(c1ccc(I)cc1O)N1CC[NH+](CCCF)CC1 ZINC000869113039 654069558 /nfs/dbraw/zinc/06/95/58/654069558.db2.gz FNMCQYUHXNSABR-UHFFFAOYSA-N 1 2 392.212 2.114 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)NCc1nc2ccc(Br)cc2o1 ZINC000869171743 654074541 /nfs/dbraw/zinc/07/45/41/654074541.db2.gz QFORDZGRTQEYFV-OWOJBTEDSA-N 1 2 380.242 2.095 20 0 GEADLO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NCCCNc1cccc[nH+]1 ZINC000900753471 654079162 /nfs/dbraw/zinc/07/91/62/654079162.db2.gz AHEJARYULGCEJG-UHFFFAOYSA-N 1 2 382.251 2.132 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799120465 654084868 /nfs/dbraw/zinc/08/48/68/654084868.db2.gz LGZDCZXECVLCNA-HOTGVXAUSA-N 1 2 394.313 2.323 20 0 GEADLO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000916479372 654096655 /nfs/dbraw/zinc/09/66/55/654096655.db2.gz YJHZDNCBQPEFLG-LLVKDONJSA-N 1 2 380.388 2.006 20 0 GEADLO C[C@](O)(CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccsc1 ZINC000799775399 654111647 /nfs/dbraw/zinc/11/16/47/654111647.db2.gz FNSHZNQGUFPHFL-KRWDZBQOSA-N 1 2 377.491 2.179 20 0 GEADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC=C(Br)C1 ZINC000799838757 654117488 /nfs/dbraw/zinc/11/74/88/654117488.db2.gz RWWDVKOFJCMMBU-UHFFFAOYSA-N 1 2 375.226 2.322 20 0 GEADLO C[C@@H](c1ncc(Br)cn1)[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830461685 654119462 /nfs/dbraw/zinc/11/94/62/654119462.db2.gz DHJIIWVPFVPXQK-CMPLNLGQSA-N 1 2 389.294 2.118 20 0 GEADLO C[C@@H](c1ncc(Br)cn1)[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830461685 654119466 /nfs/dbraw/zinc/11/94/66/654119466.db2.gz DHJIIWVPFVPXQK-CMPLNLGQSA-N 1 2 389.294 2.118 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000830509762 654123050 /nfs/dbraw/zinc/12/30/50/654123050.db2.gz MQGXXWKWRNVPEN-GJZGRUSLSA-N 1 2 396.285 2.327 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000830509762 654123051 /nfs/dbraw/zinc/12/30/51/654123051.db2.gz MQGXXWKWRNVPEN-GJZGRUSLSA-N 1 2 396.285 2.327 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000830642293 654131310 /nfs/dbraw/zinc/13/13/10/654131310.db2.gz PJFNXAPYWNFRTH-CQSZACIVSA-N 1 2 391.256 2.456 20 0 GEADLO CN(C)c1[nH+]cc(C[NH2+][C@@](C)(C(=O)[O-])c2cccc(Br)c2)n1C ZINC000901621750 654135654 /nfs/dbraw/zinc/13/56/54/654135654.db2.gz KAAAJSJPKCYQGN-MRXNPFEDSA-N 1 2 381.274 2.338 20 0 GEADLO C[C@H](C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000870065401 654141987 /nfs/dbraw/zinc/14/19/87/654141987.db2.gz NOFPLABBARDNPJ-WMLDXEAASA-N 1 2 397.313 2.112 20 0 GEADLO O=C(Cc1cccnc1Br)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000870134913 654145978 /nfs/dbraw/zinc/14/59/78/654145978.db2.gz WCPRRUHURPREGW-UHFFFAOYSA-N 1 2 390.281 2.437 20 0 GEADLO COc1cccc([C@H]2CN(C(=O)CSc3n[nH]c(=S)s3)CC[NH2+]2)c1 ZINC000870151031 654147004 /nfs/dbraw/zinc/14/70/04/654147004.db2.gz SGKMMRZILZDUES-GFCCVEGCSA-N 1 2 382.536 2.101 20 0 GEADLO COc1cccc(N2CC[NH+](CCSCCCCS(C)(=O)=O)CC2)c1 ZINC000918730726 654160123 /nfs/dbraw/zinc/16/01/23/654160123.db2.gz NTQSUPATNQXGFN-UHFFFAOYSA-N 1 2 386.583 2.375 20 0 GEADLO COc1cccc(N2CC[NH+](CCSC[C@H](C)CS(C)(=O)=O)CC2)c1 ZINC000918738262 654160631 /nfs/dbraw/zinc/16/06/31/654160631.db2.gz UPVYDFUEOVMPEI-INIZCTEOSA-N 1 2 386.583 2.231 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000918847346 654163908 /nfs/dbraw/zinc/16/39/08/654163908.db2.gz ZNQVDJDKUPLZSX-UHFFFAOYSA-N 1 2 376.507 2.477 20 0 GEADLO CC1(C)OC[C@@H](CC[NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)O1 ZINC000851714345 654171793 /nfs/dbraw/zinc/17/17/93/654171793.db2.gz PHZUKYDCKFQSHL-CQSZACIVSA-N 1 2 388.917 2.188 20 0 GEADLO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000919288223 654177008 /nfs/dbraw/zinc/17/70/08/654177008.db2.gz OMOABWRLXJZHLX-MNOVXSKESA-N 1 2 380.388 2.148 20 0 GEADLO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000919288223 654177011 /nfs/dbraw/zinc/17/70/11/654177011.db2.gz OMOABWRLXJZHLX-MNOVXSKESA-N 1 2 380.388 2.148 20 0 GEADLO CCn1cnc(C[NH2+]CC(=O)Nc2ccc(I)cc2)c1 ZINC000902536433 654182076 /nfs/dbraw/zinc/18/20/76/654182076.db2.gz HEWCVDRKQGYJKO-UHFFFAOYSA-N 1 2 384.221 2.236 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000919990919 654198453 /nfs/dbraw/zinc/19/84/53/654198453.db2.gz SHWBCUVJIHIKDH-KOLCDFICSA-N 1 2 384.304 2.045 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000919990919 654198458 /nfs/dbraw/zinc/19/84/58/654198458.db2.gz SHWBCUVJIHIKDH-KOLCDFICSA-N 1 2 384.304 2.045 20 0 GEADLO C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000919989737 654198655 /nfs/dbraw/zinc/19/86/55/654198655.db2.gz LBLGMRZKTKCFJT-RNCFNFMXSA-N 1 2 384.304 2.045 20 0 GEADLO C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000919989737 654198657 /nfs/dbraw/zinc/19/86/57/654198657.db2.gz LBLGMRZKTKCFJT-RNCFNFMXSA-N 1 2 384.304 2.045 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000920020598 654199640 /nfs/dbraw/zinc/19/96/40/654199640.db2.gz NJXNZGXXNXTAQU-GWCFXTLKSA-N 1 2 399.866 2.271 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCN1C ZINC000920020598 654199646 /nfs/dbraw/zinc/19/96/46/654199646.db2.gz NJXNZGXXNXTAQU-GWCFXTLKSA-N 1 2 399.866 2.271 20 0 GEADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000870887663 654203343 /nfs/dbraw/zinc/20/33/43/654203343.db2.gz FDSNETRINWYLPT-LBPRGKRZSA-N 1 2 393.285 2.182 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cn(C)nn3)C2=O)ccc1Br ZINC000902953846 654205615 /nfs/dbraw/zinc/20/56/15/654205615.db2.gz LORTYXOMIBFMTO-FZMZJTMJSA-N 1 2 378.274 2.342 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920257588 654206367 /nfs/dbraw/zinc/20/63/67/654206367.db2.gz FXJJIJDHNMZXCI-NSHDSACASA-N 1 2 388.295 2.141 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000801978245 654212519 /nfs/dbraw/zinc/21/25/19/654212519.db2.gz DXQZUYUHJALYOS-MRXNPFEDSA-N 1 2 376.881 2.012 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000801978245 654212523 /nfs/dbraw/zinc/21/25/23/654212523.db2.gz DXQZUYUHJALYOS-MRXNPFEDSA-N 1 2 376.881 2.012 20 0 GEADLO O=C(CCc1nccs1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000920634770 654217814 /nfs/dbraw/zinc/21/78/14/654217814.db2.gz KVQLMCFUPGVHPQ-UHFFFAOYSA-N 1 2 379.507 2.025 20 0 GEADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000802241846 654224331 /nfs/dbraw/zinc/22/43/31/654224331.db2.gz BQJUNYQCGCGNDS-STQMWFEESA-N 1 2 399.260 2.389 20 0 GEADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000802241846 654224336 /nfs/dbraw/zinc/22/43/36/654224336.db2.gz BQJUNYQCGCGNDS-STQMWFEESA-N 1 2 399.260 2.389 20 0 GEADLO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[C@H]([NH+]2CCC2)C1 ZINC000903209884 654227169 /nfs/dbraw/zinc/22/71/69/654227169.db2.gz GTPFLXRYFUMLML-VIFPVBQESA-N 1 2 381.242 2.196 20 0 GEADLO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccccc1Br ZINC000903231881 654230762 /nfs/dbraw/zinc/23/07/62/654230762.db2.gz PZJFDDHLPOSELW-JTQLQIEISA-N 1 2 383.333 2.157 20 0 GEADLO C[C@@](CO)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000890630673 654233127 /nfs/dbraw/zinc/23/31/27/654233127.db2.gz QTLGLYSHLBGGDW-PXAZEXFGSA-N 1 2 378.270 2.232 20 0 GEADLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000852432461 654239214 /nfs/dbraw/zinc/23/92/14/654239214.db2.gz ZMVIZCCQVINSPI-SECBINFHSA-N 1 2 383.202 2.119 20 0 GEADLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000852432461 654239218 /nfs/dbraw/zinc/23/92/18/654239218.db2.gz ZMVIZCCQVINSPI-SECBINFHSA-N 1 2 383.202 2.119 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1Br ZINC000921322114 654247787 /nfs/dbraw/zinc/24/77/87/654247787.db2.gz NRPRSXYYVKJQST-OLZOCXBDSA-N 1 2 391.356 2.307 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccccc1Br ZINC000921322114 654247789 /nfs/dbraw/zinc/24/77/89/654247789.db2.gz NRPRSXYYVKJQST-OLZOCXBDSA-N 1 2 391.356 2.307 20 0 GEADLO COC(=O)N(C)CC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000852574049 654248061 /nfs/dbraw/zinc/24/80/61/654248061.db2.gz ZAHBYJJKMSUEBK-LBPRGKRZSA-N 1 2 386.290 2.256 20 0 GEADLO COC(=O)N(C)CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000852574049 654248065 /nfs/dbraw/zinc/24/80/65/654248065.db2.gz ZAHBYJJKMSUEBK-LBPRGKRZSA-N 1 2 386.290 2.256 20 0 GEADLO O=C(NCC1(n2cc(Br)cn2)CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000832246793 654252895 /nfs/dbraw/zinc/25/28/95/654252895.db2.gz QCCUNSOVEYJVIL-UHFFFAOYSA-N 1 2 387.241 2.145 20 0 GEADLO Cc1cc(N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2=O)ccc1Br ZINC000832249539 654253332 /nfs/dbraw/zinc/25/33/32/654253332.db2.gz XHVWQTWTIAJLOM-CQSZACIVSA-N 1 2 391.269 2.335 20 0 GEADLO C[C@H]1CN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c2cc(F)ccc2C[NH2+]1 ZINC000871806173 654261221 /nfs/dbraw/zinc/26/12/21/654261221.db2.gz XTQQMINRFLYVES-BSNNYGBQSA-N 1 2 377.507 2.265 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCCc2nc3c(s2)CCC3)C1 ZINC000921610574 654292426 /nfs/dbraw/zinc/29/24/26/654292426.db2.gz BXYRCGIBDSXFKN-UHFFFAOYSA-N 1 2 377.535 2.141 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCCc2nc3c(s2)CCC3)C1 ZINC000921610574 654292439 /nfs/dbraw/zinc/29/24/39/654292439.db2.gz BXYRCGIBDSXFKN-UHFFFAOYSA-N 1 2 377.535 2.141 20 0 GEADLO CC(C)(O)C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000871971240 654296226 /nfs/dbraw/zinc/29/62/26/654296226.db2.gz KYNOEVPMWGKMCL-OAHLLOKOSA-N 1 2 375.296 2.273 20 0 GEADLO [NH3+][C@H](c1nc([C@@H]2CC(=O)N(C3CC3)C2)no1)c1ccc(Br)cc1 ZINC000904095211 654301164 /nfs/dbraw/zinc/30/11/64/654301164.db2.gz YJBJBRZYGKYEBB-YGRLFVJLSA-N 1 2 377.242 2.359 20 0 GEADLO O=C(N1CCC[C@@H](C2CC[NH+](Cn3ccsc3=O)CC2)C1)C(F)(F)F ZINC000853572925 654305215 /nfs/dbraw/zinc/30/52/15/654305215.db2.gz SYUVQVWGCYUBAO-CYBMUJFWSA-N 1 2 377.432 2.380 20 0 GEADLO CC(C)(CO)[NH+]1CCN(c2cc(Br)cnc2Br)CC1 ZINC000804461160 654311205 /nfs/dbraw/zinc/31/12/05/654311205.db2.gz DBMKYPDDSZBKQE-UHFFFAOYSA-N 1 2 393.123 2.500 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)Nc1ncnc2c1c(Br)nn2C(C)(C)C ZINC000891837198 654313935 /nfs/dbraw/zinc/31/39/35/654313935.db2.gz CYGYETUVFJJDRZ-NSHDSACASA-N 1 2 397.321 2.476 20 0 GEADLO O=C(C[N@@H+]1CCNC(=O)CC12CCOCC2)Nc1cc(Cl)ccc1Cl ZINC000872287461 654321902 /nfs/dbraw/zinc/32/19/02/654321902.db2.gz ZUMCUXADURNABU-UHFFFAOYSA-N 1 2 386.279 2.303 20 0 GEADLO O=C(C[N@H+]1CCNC(=O)CC12CCOCC2)Nc1cc(Cl)ccc1Cl ZINC000872287461 654321904 /nfs/dbraw/zinc/32/19/04/654321904.db2.gz ZUMCUXADURNABU-UHFFFAOYSA-N 1 2 386.279 2.303 20 0 GEADLO CCn1c(C[NH2+][C@@H]2CCCN(C)C2=O)nc(Br)c1Br ZINC000921814877 654326295 /nfs/dbraw/zinc/32/62/95/654326295.db2.gz WZGHCVYRAUCYLP-MRVPVSSYSA-N 1 2 394.111 2.138 20 0 GEADLO O=C(NCCSCc1ccnc(Cl)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853984419 654334920 /nfs/dbraw/zinc/33/49/20/654334920.db2.gz HFKOBOLIWABRMG-HNNXBMFYSA-N 1 2 384.933 2.084 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1C ZINC000872443576 654337276 /nfs/dbraw/zinc/33/72/76/654337276.db2.gz UVAJQXIPOKFNCR-QHCPKHFHSA-N 1 2 377.532 2.280 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000805031647 654338033 /nfs/dbraw/zinc/33/80/33/654338033.db2.gz MJJUSFWAYSNIGT-GFCCVEGCSA-N 1 2 391.896 2.186 20 0 GEADLO CO[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000905209493 654339434 /nfs/dbraw/zinc/33/94/34/654339434.db2.gz JPHVHFMCCCKJQC-ZDUSSCGKSA-N 1 2 391.331 2.425 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)c1cc(S(C)(=O)=O)ncc1Cl)c1ccccc1 ZINC000854197947 654344583 /nfs/dbraw/zinc/34/45/83/654344583.db2.gz APDYIZQOGRLODA-OAHLLOKOSA-N 1 2 381.885 2.171 20 0 GEADLO CC(C)(C)n1ncc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1Br ZINC000854250834 654346547 /nfs/dbraw/zinc/34/65/47/654346547.db2.gz UKMPDEOYBUKTNG-ZDUSSCGKSA-N 1 2 399.333 2.337 20 0 GEADLO C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1nc(Br)cs1 ZINC000834760929 654346763 /nfs/dbraw/zinc/34/67/63/654346763.db2.gz MBLYLELXWCDIRZ-GHMZBOCLSA-N 1 2 398.330 2.481 20 0 GEADLO Cc1cc(CNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)cc(N2CCCC2)[nH+]1 ZINC000872489439 654354171 /nfs/dbraw/zinc/35/41/71/654354171.db2.gz URSGUOSFQSJOLQ-XMMPIXPASA-N 1 2 388.559 2.221 20 0 GEADLO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ncccc1Br ZINC000922026752 654356773 /nfs/dbraw/zinc/35/67/73/654356773.db2.gz RYNJYMPSRXVECI-GFCCVEGCSA-N 1 2 376.320 2.195 20 0 GEADLO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ncccc1Br ZINC000922026752 654356779 /nfs/dbraw/zinc/35/67/79/654356779.db2.gz RYNJYMPSRXVECI-GFCCVEGCSA-N 1 2 376.320 2.195 20 0 GEADLO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000835163134 654367241 /nfs/dbraw/zinc/36/72/41/654367241.db2.gz KLJSMTQZXCVYPF-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO C[C@@H](Sc1nc(CC(=O)OCc2cccc3[nH+]ccn32)cs1)C(N)=O ZINC000892865168 654367356 /nfs/dbraw/zinc/36/73/56/654367356.db2.gz APAXTXDZDSTJQI-SNVBAGLBSA-N 1 2 376.463 2.043 20 0 GEADLO CCn1c(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)nc(Br)c1Br ZINC000922101755 654367433 /nfs/dbraw/zinc/36/74/33/654367433.db2.gz XSGRWXVUYCFTKI-IONNQARKSA-N 1 2 394.111 2.042 20 0 GEADLO S=c1n(C[N@@H+]2CC[C@@H](C3OCCO3)C2)nc2ccc(Br)cn21 ZINC000905695919 654374904 /nfs/dbraw/zinc/37/49/04/654374904.db2.gz KVKBUGISBJAKAN-SNVBAGLBSA-N 1 2 385.287 2.280 20 0 GEADLO S=c1n(C[N@H+]2CC[C@@H](C3OCCO3)C2)nc2ccc(Br)cn21 ZINC000905695919 654374908 /nfs/dbraw/zinc/37/49/08/654374908.db2.gz KVKBUGISBJAKAN-SNVBAGLBSA-N 1 2 385.287 2.280 20 0 GEADLO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854725969 654379426 /nfs/dbraw/zinc/37/94/26/654379426.db2.gz DOSNALNZGVANMQ-DOTOQJQBSA-N 1 2 395.297 2.076 20 0 GEADLO O=S(=O)(C[C@H](O)C[NH2+]Cc1csc(C(F)(F)F)n1)c1cccs1 ZINC000893180325 654387372 /nfs/dbraw/zinc/38/73/72/654387372.db2.gz DNQFKVYCJOIKLY-SECBINFHSA-N 1 2 386.442 2.148 20 0 GEADLO CCN(C(=O)C[NH2+]Cc1c(I)cnn1C)c1ccccc1 ZINC000922475698 654396578 /nfs/dbraw/zinc/39/65/78/654396578.db2.gz YFOHBCMNUFLHAI-UHFFFAOYSA-N 1 2 398.248 2.167 20 0 GEADLO Cc1ccc(NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c(OCC[NH+](C)C)c1 ZINC000906057659 654410647 /nfs/dbraw/zinc/41/06/47/654410647.db2.gz KQJJTZKJIODKPU-XMMPIXPASA-N 1 2 391.559 2.488 20 0 GEADLO O=C(CNC(=O)C[NH2+]Cc1cscc1Br)NCc1ccccc1 ZINC000922768586 654412272 /nfs/dbraw/zinc/41/22/72/654412272.db2.gz BJVBSIXXIATUEG-UHFFFAOYSA-N 1 2 396.310 2.033 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cnc2Cl)[C@H](C)CO1 ZINC000855411913 654417608 /nfs/dbraw/zinc/41/76/08/654417608.db2.gz QXBYCNSVUANPCP-NXEZZACHSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cnc2Cl)[C@H](C)CO1 ZINC000855411913 654417611 /nfs/dbraw/zinc/41/76/11/654417611.db2.gz QXBYCNSVUANPCP-NXEZZACHSA-N 1 2 376.682 2.337 20 0 GEADLO O=C1CC[C@@H]([NH2+]c2ccc(N3CC[C@H](CO)C3)c(Br)c2)CCN1 ZINC000873149874 654418865 /nfs/dbraw/zinc/41/88/65/654418865.db2.gz FUVUBQLZIHWYHB-QWHCGFSZSA-N 1 2 382.302 2.348 20 0 GEADLO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cn(Cc2ncon2)nn1 ZINC000906294703 654425990 /nfs/dbraw/zinc/42/59/90/654425990.db2.gz ZSBTWKJTNDVLHC-SNVBAGLBSA-N 1 2 393.245 2.331 20 0 GEADLO Brc1cccc2c1OCC[C@H]2[NH2+]Cc1cn(Cc2ncon2)nn1 ZINC000906298951 654426252 /nfs/dbraw/zinc/42/62/52/654426252.db2.gz FRJXONBMVVVUEC-CYBMUJFWSA-N 1 2 391.229 2.085 20 0 GEADLO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@]1(C)CCCS1(=O)=O ZINC000906457943 654440122 /nfs/dbraw/zinc/44/01/22/654440122.db2.gz YRCHPEQQRUPTTL-SFHVURJKSA-N 1 2 382.551 2.450 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC34CC(O)C4)[nH+]c12 ZINC000894168782 654452340 /nfs/dbraw/zinc/45/23/40/654452340.db2.gz ZLQMHGPRFXIEHB-UUCFBXCCSA-N 1 2 393.285 2.160 20 0 GEADLO Cn1cc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c(I)n1 ZINC000894171978 654452748 /nfs/dbraw/zinc/45/27/48/654452748.db2.gz OTUJYCFEWTYLHO-UHFFFAOYSA-N 1 2 397.264 2.310 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000894216124 654456753 /nfs/dbraw/zinc/45/67/53/654456753.db2.gz HTQOEOYMGLXTLH-UHFFFAOYSA-N 1 2 398.248 2.498 20 0 GEADLO COCC[C@@H]([NH2+]Cc1cn(C)nc1I)c1ccco1 ZINC000894431182 654475367 /nfs/dbraw/zinc/47/53/67/654475367.db2.gz OGJIHGKJAWCDQC-LLVKDONJSA-N 1 2 375.210 2.485 20 0 GEADLO COc1ccc2[nH+]cc(Cl)c(N3CCO[C@@]4(CCS(=O)(=O)C4)C3)c2c1 ZINC000894350425 654468149 /nfs/dbraw/zinc/46/81/49/654468149.db2.gz PWCYKMDLPQGRNM-KRWDZBQOSA-N 1 2 382.869 2.291 20 0 GEADLO Nc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc(Br)n1 ZINC000873824603 654469717 /nfs/dbraw/zinc/46/97/17/654469717.db2.gz NSMFMZPCINKBKP-UHFFFAOYSA-N 1 2 381.299 2.446 20 0 GEADLO C[C@@H]1CN(c2ccc(NCc3nc(Br)nn3C)c[nH+]2)C[C@H](C)O1 ZINC000894413560 654473563 /nfs/dbraw/zinc/47/35/63/654473563.db2.gz SZTURVWNWHRQPA-PHIMTYICSA-N 1 2 381.278 2.198 20 0 GEADLO Cn1cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c(I)n1 ZINC000894496739 654480813 /nfs/dbraw/zinc/48/08/13/654480813.db2.gz VXWDMPICOYPLHT-CYBMUJFWSA-N 1 2 375.254 2.416 20 0 GEADLO Cn1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(I)n1 ZINC000894496739 654480820 /nfs/dbraw/zinc/48/08/20/654480820.db2.gz VXWDMPICOYPLHT-CYBMUJFWSA-N 1 2 375.254 2.416 20 0 GEADLO Cn1ncc(I)c1CN1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000894592199 654488719 /nfs/dbraw/zinc/48/87/19/654488719.db2.gz IRZZPSJXQCGIHR-GFCCVEGCSA-N 1 2 384.221 2.073 20 0 GEADLO CCOC(=O)C1(COC)CC[NH+](CCS(=O)(=O)C2CCCCC2)CC1 ZINC000856739852 654488807 /nfs/dbraw/zinc/48/88/07/654488807.db2.gz JBNYZCHRVRISOM-UHFFFAOYSA-N 1 2 375.531 2.026 20 0 GEADLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2nc(Br)nn2C)cc1 ZINC000894693887 654494835 /nfs/dbraw/zinc/49/48/35/654494835.db2.gz AMCITBQQHLPUFN-JTQLQIEISA-N 1 2 387.303 2.222 20 0 GEADLO O[C@@H]1COCC[C@H]1Nc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC000894783161 654498935 /nfs/dbraw/zinc/49/89/35/654498935.db2.gz SBKKTYVWGACUOE-ZIAGYGMSSA-N 1 2 390.241 2.140 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000907130244 654512848 /nfs/dbraw/zinc/51/28/48/654512848.db2.gz GMSFLTJCTXVSRQ-LLVKDONJSA-N 1 2 391.269 2.309 20 0 GEADLO C[C@@H]1CN(C(=O)NCc2nc(C[NH+](C)C)cs2)C[C@H](CC(F)(F)F)O1 ZINC000924785610 654524867 /nfs/dbraw/zinc/52/48/67/654524867.db2.gz ONMUKNSNYFIUAB-PWSUYJOCSA-N 1 2 380.436 2.456 20 0 GEADLO C/C(=C/C(=O)N[C@H](CCO)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000907291458 654528330 /nfs/dbraw/zinc/52/83/30/654528330.db2.gz JZNDSOFQXXYTCN-BHEFUSTPSA-N 1 2 397.313 2.267 20 0 GEADLO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)N1CC[NH+](CCc2ccncc2)CC1 ZINC000907345084 654534189 /nfs/dbraw/zinc/53/41/89/654534189.db2.gz VLFYTTRQLKFMPB-OAHLLOKOSA-N 1 2 392.352 2.155 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3CCCC(=O)N3C)[nH+]c12 ZINC000907355056 654535287 /nfs/dbraw/zinc/53/52/87/654535287.db2.gz PEZZSXYZHUEGDC-CQSZACIVSA-N 1 2 393.285 2.075 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000926001736 654555925 /nfs/dbraw/zinc/55/59/25/654555925.db2.gz UYEZSEOHIBFWRP-SXBQZSJRSA-N 1 2 375.535 2.398 20 0 GEADLO O=S(=O)(CCO)c1ccc(C[NH2+][C@@H]2COCc3cccc(Cl)c32)cc1 ZINC000926276112 654565327 /nfs/dbraw/zinc/56/53/27/654565327.db2.gz UBRADXWBTUQEIG-QGZVFWFLSA-N 1 2 381.881 2.467 20 0 GEADLO O=C(CNc1cccc[nH+]1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000907735802 654571993 /nfs/dbraw/zinc/57/19/93/654571993.db2.gz BTULQCOJDXJBQV-CQSZACIVSA-N 1 2 378.270 2.223 20 0 GEADLO O=C(CNc1cccc[nH+]1)N1CCC(O)(c2scnc2Br)CC1 ZINC000907941766 654591936 /nfs/dbraw/zinc/59/19/36/654591936.db2.gz SKEDLJKEBZRHSH-UHFFFAOYSA-N 1 2 397.298 2.223 20 0 GEADLO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]Cc1nc3c(s1)COCC3)CCC2 ZINC000927118252 654594819 /nfs/dbraw/zinc/59/48/19/654594819.db2.gz PREBGLJJSWWUEQ-AWEZNQCLSA-N 1 2 379.507 2.030 20 0 GEADLO C[C@]12CCN(C(=O)c3cccn3CC[NH+]3CCOCC3)C[C@H]1C2(Cl)Cl ZINC000908073293 654602346 /nfs/dbraw/zinc/60/23/46/654602346.db2.gz URMDQGIDOIMYEJ-WBVHZDCISA-N 1 2 386.323 2.476 20 0 GEADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cn(C)nc1Br ZINC000927625294 654607121 /nfs/dbraw/zinc/60/71/21/654607121.db2.gz BTSAJCBTXLUHAN-UHFFFAOYSA-N 1 2 398.211 2.435 20 0 GEADLO CCc1csc(-n2cc(C(=O)NCc3nc(C[NH+](C)C)cs3)cn2)n1 ZINC000927768004 654612978 /nfs/dbraw/zinc/61/29/78/654612978.db2.gz HBRLKRLCXRXGKW-UHFFFAOYSA-N 1 2 376.511 2.339 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2cn(-c3ccccc3Cl)nn2)n1 ZINC000927771075 654613223 /nfs/dbraw/zinc/61/32/23/654613223.db2.gz FHXWWVIDDDOQGI-UHFFFAOYSA-N 1 2 376.873 2.369 20 0 GEADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928357239 654642628 /nfs/dbraw/zinc/64/26/28/654642628.db2.gz GXCCNLXCADYRKL-DGCLKSJQSA-N 1 2 376.258 2.362 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cnc(Cl)c(Br)c1 ZINC000928646143 654654047 /nfs/dbraw/zinc/65/40/47/654654047.db2.gz FCRLCEMJOVOPCO-NSHDSACASA-N 1 2 376.682 2.338 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cnn(C(C)(C)C)c1Br ZINC000928650849 654654293 /nfs/dbraw/zinc/65/42/93/654654293.db2.gz OBRKESRDJMWTSS-GFCCVEGCSA-N 1 2 387.322 2.241 20 0 GEADLO C/C(=C/C(=O)Nc1cc(N(C)C)c(Br)cn1)C[NH+]1CCOCC1 ZINC000909268219 654658041 /nfs/dbraw/zinc/65/80/41/654658041.db2.gz YVAZFRMLMPCHGI-WQLSENKSSA-N 1 2 383.290 2.127 20 0 GEADLO C/C(=C\C(=O)N(C)C[C@@H](O)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000909410728 654663765 /nfs/dbraw/zinc/66/37/65/654663765.db2.gz HFYOGAWFYUHCPF-GWKQRERASA-N 1 2 397.313 2.219 20 0 GEADLO CCOCCOCC[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000929470739 654685248 /nfs/dbraw/zinc/68/52/48/654685248.db2.gz YGQGAORBKLBBGR-UHFFFAOYSA-N 1 2 385.302 2.260 20 0 GEADLO Cc1nnsc1[C@@H](C)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000929631491 654689205 /nfs/dbraw/zinc/68/92/05/654689205.db2.gz GPBUTHHEDGTZGK-SNVBAGLBSA-N 1 2 386.465 2.196 20 0 GEADLO Cc1cc(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cnc1Br ZINC000929827156 654692945 /nfs/dbraw/zinc/69/29/45/654692945.db2.gz YVYLEMBZCRZLFQ-OAHLLOKOSA-N 1 2 395.345 2.281 20 0 GEADLO Cc1nnsc1[C@H](C)[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000929879408 654693863 /nfs/dbraw/zinc/69/38/63/654693863.db2.gz XUZRNEXVIYHFJB-LBPRGKRZSA-N 1 2 384.502 2.490 20 0 GEADLO COCc1c(Br)cccc1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000930085436 654699113 /nfs/dbraw/zinc/69/91/13/654699113.db2.gz JXQDEZWCTAJFBL-GFCCVEGCSA-N 1 2 386.290 2.438 20 0 GEADLO COCc1c(Br)cccc1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000930085436 654699114 /nfs/dbraw/zinc/69/91/14/654699114.db2.gz JXQDEZWCTAJFBL-GFCCVEGCSA-N 1 2 386.290 2.438 20 0 GEADLO O=C(NCC[NH+]1Cc2ccccc2C1)C1(n2cc(Br)cn2)CC1 ZINC000930651978 654716081 /nfs/dbraw/zinc/71/60/81/654716081.db2.gz DIRGOJGMQAZLHQ-UHFFFAOYSA-N 1 2 375.270 2.267 20 0 GEADLO CCC(F)(F)C(C)(C)CNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931072350 654728245 /nfs/dbraw/zinc/72/82/45/654728245.db2.gz ZKVZMOIEYQGUAQ-UHFFFAOYSA-N 1 2 376.473 2.009 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[C@H]([NH3+])C(F)F ZINC000912039131 654740651 /nfs/dbraw/zinc/74/06/51/654740651.db2.gz BRFQMQVUCSCRSZ-JTQLQIEISA-N 1 2 378.217 2.137 20 0 GEADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCSC[C@@H]1C(C)(C)C ZINC000931597248 654748332 /nfs/dbraw/zinc/74/83/32/654748332.db2.gz SDNSNDILDZSRBN-OAHLLOKOSA-N 1 2 385.555 2.044 20 0 GEADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCSC[C@@H]1C(C)(C)C ZINC000931597248 654748334 /nfs/dbraw/zinc/74/83/34/654748334.db2.gz SDNSNDILDZSRBN-OAHLLOKOSA-N 1 2 385.555 2.044 20 0 GEADLO CN(Cc1ccc(Cl)cc1)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931658448 654751347 /nfs/dbraw/zinc/75/13/47/654751347.db2.gz MDLFXWVEBAJZTL-UHFFFAOYSA-N 1 2 380.901 2.133 20 0 GEADLO COC1(OC)CCOC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)cc1Br ZINC000931672536 654752514 /nfs/dbraw/zinc/75/25/14/654752514.db2.gz WXXYBNBDSUZWLI-AWEZNQCLSA-N 1 2 387.274 2.064 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccccc1CSC1=NCCS1 ZINC000912616284 654761267 /nfs/dbraw/zinc/76/12/67/654761267.db2.gz ZSAQMKQUMGKXGD-CQSZACIVSA-N 1 2 376.507 2.220 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)n1 ZINC000932055637 654765035 /nfs/dbraw/zinc/76/50/35/654765035.db2.gz TUJFFTZTIGHIEJ-NWDGAFQWSA-N 1 2 385.306 2.202 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)[C@@H](CO)C1 ZINC000912738416 654765871 /nfs/dbraw/zinc/76/58/71/654765871.db2.gz DOODRODFSIYAIR-SNVBAGLBSA-N 1 2 397.191 2.096 20 0 GEADLO C[N@H+]1CCN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)[C@@H](CO)C1 ZINC000912738416 654765873 /nfs/dbraw/zinc/76/58/73/654765873.db2.gz DOODRODFSIYAIR-SNVBAGLBSA-N 1 2 397.191 2.096 20 0 GEADLO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(COC)o1 ZINC000932326601 654775383 /nfs/dbraw/zinc/77/53/83/654775383.db2.gz RXUTUSQGKKGAIM-GDBMZVCRSA-N 1 2 377.374 2.384 20 0 GEADLO CCOP(=O)(OCC)[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(COC)o1 ZINC000932326601 654775387 /nfs/dbraw/zinc/77/53/87/654775387.db2.gz RXUTUSQGKKGAIM-GDBMZVCRSA-N 1 2 377.374 2.384 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)nc3)C2)s1 ZINC000932670612 654785187 /nfs/dbraw/zinc/78/51/87/654785187.db2.gz HSQAGMBQWXHQDE-SNVBAGLBSA-N 1 2 380.857 2.406 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)nc3)C2)s1 ZINC000932670612 654785189 /nfs/dbraw/zinc/78/51/89/654785189.db2.gz HSQAGMBQWXHQDE-SNVBAGLBSA-N 1 2 380.857 2.406 20 0 GEADLO COCCOC[C@@H](O)C[N@@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC000932753177 654788117 /nfs/dbraw/zinc/78/81/17/654788117.db2.gz CTBDREUBLCFIRM-NSHDSACASA-N 1 2 378.694 2.485 20 0 GEADLO COCCOC[C@@H](O)C[N@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC000932753177 654788119 /nfs/dbraw/zinc/78/81/19/654788119.db2.gz CTBDREUBLCFIRM-NSHDSACASA-N 1 2 378.694 2.485 20 0 GEADLO O=C1CNC(=O)N1CCC[N@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC000932757145 654788352 /nfs/dbraw/zinc/78/83/52/654788352.db2.gz SZHHCOPXDBMGLR-UHFFFAOYSA-N 1 2 386.677 2.403 20 0 GEADLO O=C1CNC(=O)N1CCC[N@@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC000932757145 654788354 /nfs/dbraw/zinc/78/83/54/654788354.db2.gz SZHHCOPXDBMGLR-UHFFFAOYSA-N 1 2 386.677 2.403 20 0 GEADLO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](Cc2nnc3n2CCOC3)C1 ZINC000932815621 654791919 /nfs/dbraw/zinc/79/19/19/654791919.db2.gz FXAQMZXOULWGRB-QGZVFWFLSA-N 1 2 393.285 2.054 20 0 GEADLO O[C@]1(c2ccc(Br)cc2)CCC[N@@H+](Cc2nnc3n2CCOC3)C1 ZINC000932815621 654791921 /nfs/dbraw/zinc/79/19/21/654791921.db2.gz FXAQMZXOULWGRB-QGZVFWFLSA-N 1 2 393.285 2.054 20 0 GEADLO Cc1cccc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c1I ZINC000913442324 654792169 /nfs/dbraw/zinc/79/21/69/654792169.db2.gz FEXSCFZFXIFYHA-ZDUSSCGKSA-N 1 2 396.232 2.109 20 0 GEADLO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cn3cc(Cl)cc(Cl)c3n1)CC2 ZINC000932840630 654792975 /nfs/dbraw/zinc/79/29/75/654792975.db2.gz ZESRVVVUGQESAX-ZDUSSCGKSA-N 1 2 383.279 2.104 20 0 GEADLO Cc1cccc(CC(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)c1Br ZINC000913456840 654793064 /nfs/dbraw/zinc/79/30/64/654793064.db2.gz UBNLPFDGTMDQIT-OAHLLOKOSA-N 1 2 377.286 2.207 20 0 GEADLO O=C(N1CC[NH2+][C@@H](c2cn[nH]c2)C1)C(F)(F)c1ccc(Br)cc1 ZINC000913457830 654793072 /nfs/dbraw/zinc/79/30/72/654793072.db2.gz GTSXBRXGWPGGNR-CYBMUJFWSA-N 1 2 385.212 2.437 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3ccc(Br)c(F)c3F)CC[NH2+]2)cn1 ZINC000913457005 654793100 /nfs/dbraw/zinc/79/31/00/654793100.db2.gz VNRWHHQIEVXBPV-GFCCVEGCSA-N 1 2 385.212 2.248 20 0 GEADLO CO[C@H](C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)c1ccccc1Br ZINC000913458741 654793484 /nfs/dbraw/zinc/79/34/84/654793484.db2.gz UJNSGNHHVQBHKZ-CABCVRRESA-N 1 2 379.258 2.033 20 0 GEADLO C[C@H](C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1)c1cccc(Br)c1 ZINC000913460736 654793803 /nfs/dbraw/zinc/79/38/03/654793803.db2.gz QNOSMMOAPZZUFI-BLLLJJGKSA-N 1 2 377.286 2.459 20 0 GEADLO Cc1c(Br)ccc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)c1F ZINC000913459679 654793818 /nfs/dbraw/zinc/79/38/18/654793818.db2.gz AHSJCOAZGCKRLO-AWEZNQCLSA-N 1 2 381.249 2.417 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913462121 654793903 /nfs/dbraw/zinc/79/39/03/654793903.db2.gz XAVYUZOLXMIBLD-BLLLJJGKSA-N 1 2 393.285 2.123 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)CCc3cc(Br)ccc3F)CC[NH2+]2)cn1 ZINC000913462988 654794053 /nfs/dbraw/zinc/79/40/53/654794053.db2.gz BMTNLNJGLHKBGJ-MRXNPFEDSA-N 1 2 395.276 2.427 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913466018 654794327 /nfs/dbraw/zinc/79/43/27/654794327.db2.gz CIUHDTFRAVSAMQ-WFASDCNBSA-N 1 2 393.285 2.123 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3cc4c(cccc4Br)[nH]3)CC[NH2+]2)cn1 ZINC000913467865 654794345 /nfs/dbraw/zinc/79/43/45/654794345.db2.gz HVBNVTRNIJPMLX-MRXNPFEDSA-N 1 2 388.269 2.451 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC[NH2+]2)cn1 ZINC000913473725 654794550 /nfs/dbraw/zinc/79/45/50/654794550.db2.gz VPGKYKQPTWBUSV-INIZCTEOSA-N 1 2 388.269 2.451 20 0 GEADLO C/C(=C\C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)C[NH+]1CCOCC1 ZINC000913654130 654803015 /nfs/dbraw/zinc/80/30/15/654803015.db2.gz WKBPYPJPQZUGMV-MABVHYJSSA-N 1 2 391.309 2.482 20 0 GEADLO O=Cc1cc(Br)cc(C(=O)N2CC[NH+](CCCCCO)CC2)c1 ZINC000913688719 654804446 /nfs/dbraw/zinc/80/44/46/654804446.db2.gz JZXYDPRRPVAWQG-UHFFFAOYSA-N 1 2 383.286 2.182 20 0 GEADLO CCn1c[nH+]c2c1CCN(CCS(=O)(=O)c1ccc(Br)cc1)C2 ZINC000933264613 654805911 /nfs/dbraw/zinc/80/59/11/654805911.db2.gz XBALPEFHERRVES-UHFFFAOYSA-N 1 2 398.326 2.498 20 0 GEADLO C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)CNc1cccc[nH+]1 ZINC000913714926 654806349 /nfs/dbraw/zinc/80/63/49/654806349.db2.gz RKUCDBMIILVCHE-QGZVFWFLSA-N 1 2 378.270 2.366 20 0 GEADLO C[N@@H+](CC(=O)NCCC1=CCCCC1)C[C@H](O)c1cc(Br)no1 ZINC000933358315 654810059 /nfs/dbraw/zinc/81/00/59/654810059.db2.gz FPGXJTDXXFJUNX-ZDUSSCGKSA-N 1 2 386.290 2.409 20 0 GEADLO C[N@H+](CC(=O)NCCC1=CCCCC1)C[C@H](O)c1cc(Br)no1 ZINC000933358315 654810062 /nfs/dbraw/zinc/81/00/62/654810062.db2.gz FPGXJTDXXFJUNX-ZDUSSCGKSA-N 1 2 386.290 2.409 20 0 GEADLO O=S(=O)(Cc1noc2c1CCCC2)NCC[N@@H+]1CCc2sccc2C1 ZINC000913958488 654818557 /nfs/dbraw/zinc/81/85/57/654818557.db2.gz MQGCTDBHUJXGCL-UHFFFAOYSA-N 1 2 381.523 2.093 20 0 GEADLO O=S(=O)(Cc1noc2c1CCCC2)NCC[N@H+]1CCc2sccc2C1 ZINC000913958488 654818560 /nfs/dbraw/zinc/81/85/60/654818560.db2.gz MQGCTDBHUJXGCL-UHFFFAOYSA-N 1 2 381.523 2.093 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000933658818 654819198 /nfs/dbraw/zinc/81/91/98/654819198.db2.gz HMAAWOQTMKIDTC-CYBMUJFWSA-N 1 2 397.317 2.299 20 0 GEADLO O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000914090349 654825809 /nfs/dbraw/zinc/82/58/09/654825809.db2.gz GBOLMWDZMCKDTR-OIRASMEMSA-N 1 2 397.444 2.058 20 0 GEADLO O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000914090349 654825810 /nfs/dbraw/zinc/82/58/10/654825810.db2.gz GBOLMWDZMCKDTR-OIRASMEMSA-N 1 2 397.444 2.058 20 0 GEADLO O=C(N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000914170608 654831356 /nfs/dbraw/zinc/83/13/56/654831356.db2.gz PFXYGFPHBCWUDD-XLWVJDPXSA-N 1 2 390.281 2.374 20 0 GEADLO O=C1CNC(=O)N1CCC[N@@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC000933943400 654831823 /nfs/dbraw/zinc/83/18/23/654831823.db2.gz DZORHTZLHYSPGM-UHFFFAOYSA-N 1 2 386.677 2.403 20 0 GEADLO O=C1CNC(=O)N1CCC[N@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC000933943400 654831825 /nfs/dbraw/zinc/83/18/25/654831825.db2.gz DZORHTZLHYSPGM-UHFFFAOYSA-N 1 2 386.677 2.403 20 0 GEADLO Cc1c(Br)cncc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000934262545 654841005 /nfs/dbraw/zinc/84/10/05/654841005.db2.gz LCYDFFPMMDJJAU-WCQYABFASA-N 1 2 383.290 2.479 20 0 GEADLO O=S(=O)(Cc1cccc(F)c1Br)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000914398062 654850918 /nfs/dbraw/zinc/85/09/18/654850918.db2.gz WQYCAUIXZJAOGD-LLVKDONJSA-N 1 2 388.262 2.219 20 0 GEADLO C[C@@H]1CCN(C(=O)C2(n3cc(Br)cn3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000934655895 654854883 /nfs/dbraw/zinc/85/48/83/654854883.db2.gz YSQHTGSJWHRXRR-TZMCWYRMSA-N 1 2 378.274 2.441 20 0 GEADLO CCOC(C[NH2+][C@@H](CO)c1ccccc1I)OCC ZINC000934829103 654862534 /nfs/dbraw/zinc/86/25/34/654862534.db2.gz XMPLNNUDNMMKMZ-ZDUSSCGKSA-N 1 2 379.238 2.313 20 0 GEADLO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](CO)c1ccccc1I ZINC000934829669 654862819 /nfs/dbraw/zinc/86/28/19/654862819.db2.gz OUTYDUBMEMZFGK-BXUZGUMPSA-N 1 2 390.265 2.171 20 0 GEADLO CC(C)[NH+]1CC(NC(=O)c2cc(Br)cnc2Br)C1 ZINC000935479107 654896199 /nfs/dbraw/zinc/89/61/99/654896199.db2.gz KLASLKDBIOOZQJ-UHFFFAOYSA-N 1 2 377.080 2.429 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000935923261 654927561 /nfs/dbraw/zinc/92/75/61/654927561.db2.gz BILLYHOZHDQCSY-RISCZKNCSA-N 1 2 389.253 2.203 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000935923383 654927834 /nfs/dbraw/zinc/92/78/34/654927834.db2.gz RCVHYLOXIKYMDI-ZWNOBZJWSA-N 1 2 389.253 2.203 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)n1 ZINC000935932622 654928397 /nfs/dbraw/zinc/92/83/97/654928397.db2.gz IMPNTMGDYOSGTN-QWHCGFSZSA-N 1 2 397.317 2.298 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cnn2cccc(Br)c12 ZINC000935933065 654928405 /nfs/dbraw/zinc/92/84/05/654928405.db2.gz KTKXFXBWQHCNGE-CHWSQXEVSA-N 1 2 393.285 2.032 20 0 GEADLO COc1cc(Br)cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000935935362 654928534 /nfs/dbraw/zinc/92/85/34/654928534.db2.gz VQRASMSWZXQUJB-DOMZBBRYSA-N 1 2 383.286 2.393 20 0 GEADLO C[C@@H]1[C@@H](NC(=O)c2nc(Cl)cs2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000989393712 654945092 /nfs/dbraw/zinc/94/50/92/654945092.db2.gz RUXDTGTUHTZCJY-DBIOUOCHSA-N 1 2 379.873 2.043 20 0 GEADLO C[C@@H]1[C@@H](NC(=O)c2nc(Cl)cs2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000989393712 654945095 /nfs/dbraw/zinc/94/50/95/654945095.db2.gz RUXDTGTUHTZCJY-DBIOUOCHSA-N 1 2 379.873 2.043 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscc1Cl ZINC000998632631 654952610 /nfs/dbraw/zinc/95/26/10/654952610.db2.gz HXHQLPBMNFXSLT-ONERCXAPSA-N 1 2 378.885 2.239 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1[C@H](F)c1ccnc(Cl)c1 ZINC001164698826 719853705 /nfs/dbraw/zinc/85/37/05/719853705.db2.gz DWQXKXLCZCIPTM-HFTRVMKXSA-N 1 2 385.867 2.431 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2cc(C)ccc2n1 ZINC001164701925 719856742 /nfs/dbraw/zinc/85/67/42/719856742.db2.gz MAODRAGRKIZZJM-UWJYYQICSA-N 1 2 384.480 2.171 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2cc(OC)ccc2cn1 ZINC001164705106 719862494 /nfs/dbraw/zinc/86/24/94/719862494.db2.gz SUTNJFRHCUONNR-GCJKJVERSA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(-c2ccccc2)cn1 ZINC001164707867 719867673 /nfs/dbraw/zinc/86/76/73/719867673.db2.gz WPIDYEHEGIJHKK-AVRDEDQJSA-N 1 2 396.491 2.376 20 0 GEADLO CCOC(=O)c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1C ZINC001165007521 721693882 /nfs/dbraw/zinc/69/38/82/721693882.db2.gz DMZFEBNWKXQRJS-UHFFFAOYSA-N 1 2 386.500 2.409 20 0 GEADLO CCOC(=O)c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1C ZINC001165007521 721693886 /nfs/dbraw/zinc/69/38/86/721693886.db2.gz DMZFEBNWKXQRJS-UHFFFAOYSA-N 1 2 386.500 2.409 20 0 GEADLO CC(C)(C)c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912862 721778924 /nfs/dbraw/zinc/77/89/24/721778924.db2.gz QZNYQCFLCUPJBP-QFIPXVFZSA-N 1 2 397.523 2.277 20 0 GEADLO CC(C)(C)c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912862 721778927 /nfs/dbraw/zinc/77/89/27/721778927.db2.gz QZNYQCFLCUPJBP-QFIPXVFZSA-N 1 2 397.523 2.277 20 0 GEADLO CSc1cccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914662 721792930 /nfs/dbraw/zinc/79/29/30/721792930.db2.gz PHAWQEPMHXBRDA-FQEVSTJZSA-N 1 2 386.521 2.306 20 0 GEADLO CSc1cccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914662 721792935 /nfs/dbraw/zinc/79/29/35/721792935.db2.gz PHAWQEPMHXBRDA-FQEVSTJZSA-N 1 2 386.521 2.306 20 0 GEADLO COc1c(Cl)nc(C)nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917472 721815664 /nfs/dbraw/zinc/81/56/64/721815664.db2.gz PCWXVLNGPLHPQP-UHFFFAOYSA-N 1 2 376.892 2.393 20 0 GEADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001165038746 721912320 /nfs/dbraw/zinc/91/23/20/721912320.db2.gz PQUWOXQHXLUSNZ-ZDUSSCGKSA-N 1 2 389.830 2.368 20 0 GEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccc(C(F)F)n1)CC2 ZINC001164947717 721977455 /nfs/dbraw/zinc/97/74/55/721977455.db2.gz REEAOIPRFNLVBP-UHFFFAOYSA-N 1 2 387.434 2.385 20 0 GEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccc(C(F)F)n1)CC2 ZINC001164947717 721977459 /nfs/dbraw/zinc/97/74/59/721977459.db2.gz REEAOIPRFNLVBP-UHFFFAOYSA-N 1 2 387.434 2.385 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC1 ZINC000483957505 531414746 /nfs/dbraw/zinc/41/47/46/531414746.db2.gz PEDWSWFUTDUABX-UHFFFAOYSA-N 1 2 381.424 2.217 20 0 GEADLO Cn1cnnc1C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000152321795 531543375 /nfs/dbraw/zinc/54/33/75/531543375.db2.gz WMIVVEAOIPAKBD-GFCCVEGCSA-N 1 2 384.221 2.423 20 0 GEADLO O=C([C@H]1C[C@H]1c1ccc(Cl)cc1Cl)N(CCO)CC[NH+]1CCOCC1 ZINC000152404262 531548994 /nfs/dbraw/zinc/54/89/94/531548994.db2.gz RBTZSFDIVNREJG-HOTGVXAUSA-N 1 2 387.307 2.250 20 0 GEADLO O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N(CCO)CC[NH+]1CCOCC1 ZINC000152404372 531549166 /nfs/dbraw/zinc/54/91/66/531549166.db2.gz RBTZSFDIVNREJG-CVEARBPZSA-N 1 2 387.307 2.250 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNc1[nH+]cnc2c1cnn2C ZINC000014215843 531562394 /nfs/dbraw/zinc/56/23/94/531562394.db2.gz ZJRKQGPSJRUCDC-UHFFFAOYSA-N 1 2 375.230 2.485 20 0 GEADLO Cc1cc(N)nc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)[nH+]1 ZINC000014640751 531565496 /nfs/dbraw/zinc/56/54/96/531565496.db2.gz YECMILWVPFQHHP-UHFFFAOYSA-N 1 2 377.901 2.462 20 0 GEADLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000015547124 531567506 /nfs/dbraw/zinc/56/75/06/531567506.db2.gz KFLHDEKTFLSKOM-HNNXBMFYSA-N 1 2 379.507 2.343 20 0 GEADLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000015547124 531567513 /nfs/dbraw/zinc/56/75/13/531567513.db2.gz KFLHDEKTFLSKOM-HNNXBMFYSA-N 1 2 379.507 2.343 20 0 GEADLO C[C@H](C(=O)Nc1cccc(I)c1)N(C)Cc1[nH+]ccn1C ZINC000153444927 531601030 /nfs/dbraw/zinc/60/10/30/531601030.db2.gz SAVIIPINQASOPR-LLVKDONJSA-N 1 2 398.248 2.484 20 0 GEADLO CCNC(=O)N1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000153798055 531610788 /nfs/dbraw/zinc/61/07/88/531610788.db2.gz JPYCTOLQEBJVJI-ZDUSSCGKSA-N 1 2 376.284 2.080 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000026840859 531619952 /nfs/dbraw/zinc/61/99/52/531619952.db2.gz WZXBBQSQEWEKBW-UPJWGTAASA-N 1 2 380.432 2.481 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000026840859 531619957 /nfs/dbraw/zinc/61/99/57/531619957.db2.gz WZXBBQSQEWEKBW-UPJWGTAASA-N 1 2 380.432 2.481 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000026841053 531619552 /nfs/dbraw/zinc/61/95/52/531619552.db2.gz KRBJMUUOWMZHRC-RWMBFGLXSA-N 1 2 391.331 2.225 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000026841053 531619558 /nfs/dbraw/zinc/61/95/58/531619558.db2.gz KRBJMUUOWMZHRC-RWMBFGLXSA-N 1 2 391.331 2.225 20 0 GEADLO C[C@H](CNC(=O)NC1(c2ccc(Br)cc2)CC1)[NH+]1CCOCC1 ZINC000154742335 531629111 /nfs/dbraw/zinc/62/91/11/531629111.db2.gz AUKGXBJDOGQPCC-CYBMUJFWSA-N 1 2 382.302 2.458 20 0 GEADLO O=C(C[NH+]1CCC(NC(=O)C2CC2)CC1)Nc1ccc(Br)cc1 ZINC000030277540 531635390 /nfs/dbraw/zinc/63/53/90/531635390.db2.gz QKTLYDZPIIYTBM-UHFFFAOYSA-N 1 2 380.286 2.378 20 0 GEADLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)c2cc(Br)ccc2n1 ZINC000154862050 531638410 /nfs/dbraw/zinc/63/84/10/531638410.db2.gz DBXFATUIVGZKFI-UHFFFAOYSA-N 1 2 378.270 2.056 20 0 GEADLO C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000155035380 531651241 /nfs/dbraw/zinc/65/12/41/531651241.db2.gz XMBHWWPAFARRQD-NSHDSACASA-N 1 2 388.452 2.005 20 0 GEADLO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000155129415 531657494 /nfs/dbraw/zinc/65/74/94/531657494.db2.gz SDBKRBZHOZZVPE-HIFRSBDPSA-N 1 2 382.302 2.214 20 0 GEADLO CCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000155129415 531657501 /nfs/dbraw/zinc/65/75/01/531657501.db2.gz SDBKRBZHOZZVPE-HIFRSBDPSA-N 1 2 382.302 2.214 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000041739480 531667221 /nfs/dbraw/zinc/66/72/21/531667221.db2.gz RGFWOLFMBRENCW-VIFPVBQESA-N 1 2 394.686 2.422 20 0 GEADLO CC[C@H](C)NC(=O)CN1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000044742068 531685688 /nfs/dbraw/zinc/68/56/88/531685688.db2.gz ROJAUGLQXFDKSY-HNNXBMFYSA-N 1 2 398.345 2.360 20 0 GEADLO CCCC[N@H+](CCCS(=O)(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000155552108 531688174 /nfs/dbraw/zinc/68/81/74/531688174.db2.gz MNCAOWIFMNXQHQ-QGZVFWFLSA-N 1 2 387.567 2.448 20 0 GEADLO CCCC[N@@H+](CCCS(=O)(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000155552108 531688183 /nfs/dbraw/zinc/68/81/83/531688183.db2.gz MNCAOWIFMNXQHQ-QGZVFWFLSA-N 1 2 387.567 2.448 20 0 GEADLO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000155549714 531688438 /nfs/dbraw/zinc/68/84/38/531688438.db2.gz IRTOSIJZTNIYDU-PHIMTYICSA-N 1 2 389.315 2.017 20 0 GEADLO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000155549714 531688445 /nfs/dbraw/zinc/68/84/45/531688445.db2.gz IRTOSIJZTNIYDU-PHIMTYICSA-N 1 2 389.315 2.017 20 0 GEADLO C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000155737550 531698309 /nfs/dbraw/zinc/69/83/09/531698309.db2.gz FIPMXWUPJYHXQK-ZWNOBZJWSA-N 1 2 377.794 2.444 20 0 GEADLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000155737550 531698318 /nfs/dbraw/zinc/69/83/18/531698318.db2.gz FIPMXWUPJYHXQK-ZWNOBZJWSA-N 1 2 377.794 2.444 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000045203459 531690647 /nfs/dbraw/zinc/69/06/47/531690647.db2.gz GXRSRPHKCQCLRH-GFCCVEGCSA-N 1 2 391.269 2.194 20 0 GEADLO CN1CC[NH+]([C@H](CNC(=O)CCOCC(F)(F)F)c2cccs2)CC1 ZINC000045281272 531690951 /nfs/dbraw/zinc/69/09/51/531690951.db2.gz DFQUTZRYIRYHDQ-CYBMUJFWSA-N 1 2 379.448 2.122 20 0 GEADLO CCCC[N@H+](CCCS(=O)(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000155552231 531691298 /nfs/dbraw/zinc/69/12/98/531691298.db2.gz MNCAOWIFMNXQHQ-KRWDZBQOSA-N 1 2 387.567 2.448 20 0 GEADLO CCCC[N@@H+](CCCS(=O)(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000155552231 531691306 /nfs/dbraw/zinc/69/13/06/531691306.db2.gz MNCAOWIFMNXQHQ-KRWDZBQOSA-N 1 2 387.567 2.448 20 0 GEADLO O=C(NCCNC(=O)c1cccs1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000045491700 531693300 /nfs/dbraw/zinc/69/33/00/531693300.db2.gz OTJFGUGQBUKJAV-UHFFFAOYSA-N 1 2 377.857 2.278 20 0 GEADLO O=C(NCCc1ccc(Cl)s1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000047070475 531711753 /nfs/dbraw/zinc/71/17/53/531711753.db2.gz WKISOVPBJDFWIA-MRXNPFEDSA-N 1 2 389.974 2.451 20 0 GEADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000156253946 531725265 /nfs/dbraw/zinc/72/52/65/531725265.db2.gz FKBSIEOPYGYKKY-UHFFFAOYSA-N 1 2 390.292 2.300 20 0 GEADLO C[N@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccc(Br)s1 ZINC000051682108 531743898 /nfs/dbraw/zinc/74/38/98/531743898.db2.gz RXRLTORONRDPCH-UHFFFAOYSA-N 1 2 389.315 2.308 20 0 GEADLO C[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccc(Br)s1 ZINC000051682108 531743913 /nfs/dbraw/zinc/74/39/13/531743913.db2.gz RXRLTORONRDPCH-UHFFFAOYSA-N 1 2 389.315 2.308 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000053079722 531754661 /nfs/dbraw/zinc/75/46/61/531754661.db2.gz FZTAWFPDWCKCMG-LBPRGKRZSA-N 1 2 388.295 2.041 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000157798682 531755288 /nfs/dbraw/zinc/75/52/88/531755288.db2.gz IRQIBINEVGJVLB-IGCXYCKISA-N 1 2 397.313 2.493 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000157798682 531755296 /nfs/dbraw/zinc/75/52/96/531755296.db2.gz IRQIBINEVGJVLB-IGCXYCKISA-N 1 2 397.313 2.493 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000053217701 531758124 /nfs/dbraw/zinc/75/81/24/531758124.db2.gz HAEFLGMTJXWKGY-CYBMUJFWSA-N 1 2 391.896 2.211 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000053217701 531758133 /nfs/dbraw/zinc/75/81/33/531758133.db2.gz HAEFLGMTJXWKGY-CYBMUJFWSA-N 1 2 391.896 2.211 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000053217904 531759160 /nfs/dbraw/zinc/75/91/60/531759160.db2.gz LTGNYXFHIIDURS-HNNXBMFYSA-N 1 2 387.933 2.381 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000053217904 531759165 /nfs/dbraw/zinc/75/91/65/531759165.db2.gz LTGNYXFHIIDURS-HNNXBMFYSA-N 1 2 387.933 2.381 20 0 GEADLO Cc1cc(NC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)ccc1Br ZINC000053281766 531760772 /nfs/dbraw/zinc/76/07/72/531760772.db2.gz UMFMNMWXILESMK-UHFFFAOYSA-N 1 2 395.301 2.186 20 0 GEADLO CC(C)CNC(=O)NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158162907 531768381 /nfs/dbraw/zinc/76/83/81/531768381.db2.gz VOIBAVPHMYMTEX-UHFFFAOYSA-N 1 2 376.284 2.270 20 0 GEADLO CC(C)CNC(=O)NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158162907 531768392 /nfs/dbraw/zinc/76/83/92/531768392.db2.gz VOIBAVPHMYMTEX-UHFFFAOYSA-N 1 2 376.284 2.270 20 0 GEADLO CCC[NH+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000054484738 531777276 /nfs/dbraw/zinc/77/72/76/531777276.db2.gz ANFMPMSSYAOCNI-UHFFFAOYSA-N 1 2 385.555 2.091 20 0 GEADLO Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)COCc3cccs3)CC2)s1 ZINC000055170441 531784096 /nfs/dbraw/zinc/78/40/96/531784096.db2.gz GCEXJTXFMHHINL-HNNXBMFYSA-N 1 2 380.535 2.454 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Br)ccc2Br)C1 ZINC000160602537 531812682 /nfs/dbraw/zinc/81/26/82/531812682.db2.gz LADFCUVYFCLFEB-SNVBAGLBSA-N 1 2 392.091 2.272 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)c2cc(Br)ccc2Br)C1 ZINC000160602537 531812697 /nfs/dbraw/zinc/81/26/97/531812697.db2.gz LADFCUVYFCLFEB-SNVBAGLBSA-N 1 2 392.091 2.272 20 0 GEADLO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCN(CC(F)F)CC1 ZINC000057914806 531824616 /nfs/dbraw/zinc/82/46/16/531824616.db2.gz HAUDFYMEKHWLGM-CYBMUJFWSA-N 1 2 379.245 2.072 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000058297216 531829445 /nfs/dbraw/zinc/82/94/45/531829445.db2.gz SKBKBMWHSPMBTI-LLVKDONJSA-N 1 2 375.479 2.401 20 0 GEADLO CC(C)[NH+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000162113098 531836394 /nfs/dbraw/zinc/83/63/94/531836394.db2.gz MIVFPBSRFSTHKS-UHFFFAOYSA-N 1 2 383.258 2.442 20 0 GEADLO C[C@H]1CCC[C@H](CO)[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000162289423 531839314 /nfs/dbraw/zinc/83/93/14/531839314.db2.gz FINGHNWAJTWRSM-GXTWGEPZSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@H]1CCC[C@H](CO)[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000162289423 531839319 /nfs/dbraw/zinc/83/93/19/531839319.db2.gz FINGHNWAJTWRSM-GXTWGEPZSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@H]1CCC[C@@H](CO)[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000162289674 531840036 /nfs/dbraw/zinc/84/00/36/531840036.db2.gz FINGHNWAJTWRSM-JSGCOSHPSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@H]1CCC[C@@H](CO)[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000162289674 531840042 /nfs/dbraw/zinc/84/00/42/531840042.db2.gz FINGHNWAJTWRSM-JSGCOSHPSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000162343830 531841884 /nfs/dbraw/zinc/84/18/84/531841884.db2.gz QTTORCCTGPWTDX-CYBMUJFWSA-N 1 2 390.311 2.391 20 0 GEADLO COC(=O)CC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000064065266 531863003 /nfs/dbraw/zinc/86/30/03/531863003.db2.gz GRKQIRWADOADEQ-UHFFFAOYSA-N 1 2 375.252 2.080 20 0 GEADLO O[C@@H](CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)C[NH+]1CCOCC1 ZINC000066398973 531875239 /nfs/dbraw/zinc/87/52/39/531875239.db2.gz SOUGQRWTBIPFER-SNVBAGLBSA-N 1 2 396.822 2.187 20 0 GEADLO Cc1cccc2[nH+]c(CNC(=O)CS(=O)(=O)c3ccc(Cl)cc3)cn21 ZINC000068569670 531905670 /nfs/dbraw/zinc/90/56/70/531905670.db2.gz NJPYATNWPALUPE-UHFFFAOYSA-N 1 2 377.853 2.386 20 0 GEADLO NC(=O)[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1 ZINC000068951416 531907733 /nfs/dbraw/zinc/90/77/33/531907733.db2.gz MJOWEQXGOHKPTO-JKSUJKDBSA-N 1 2 388.265 2.371 20 0 GEADLO C[C@@H](NC(=O)NCc1ccc(Br)c(F)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000171668630 531910746 /nfs/dbraw/zinc/91/07/46/531910746.db2.gz ZJRWCIPMCNYDSX-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069868415 531912450 /nfs/dbraw/zinc/91/24/50/531912450.db2.gz LKQIMPVUFHKUFF-ZDUSSCGKSA-N 1 2 376.881 2.212 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171802825 531918228 /nfs/dbraw/zinc/91/82/28/531918228.db2.gz RKUFMSQVJNYGJU-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171802825 531918235 /nfs/dbraw/zinc/91/82/35/531918235.db2.gz RKUFMSQVJNYGJU-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@H](CSC)[N@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000091098223 531923803 /nfs/dbraw/zinc/92/38/03/531923803.db2.gz ABVOMYNMPKGXMT-GDBMZVCRSA-N 1 2 376.588 2.018 20 0 GEADLO CC[C@H](CSC)[N@@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000091098223 531923808 /nfs/dbraw/zinc/92/38/08/531923808.db2.gz ABVOMYNMPKGXMT-GDBMZVCRSA-N 1 2 376.588 2.018 20 0 GEADLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(Br)cn2)CC1 ZINC000171960439 531926652 /nfs/dbraw/zinc/92/66/52/531926652.db2.gz UXQUIBFOFWGZCD-AWEZNQCLSA-N 1 2 395.345 2.409 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000171755818 531914556 /nfs/dbraw/zinc/91/45/56/531914556.db2.gz STGRZBZTZXEUSB-AWEZNQCLSA-N 1 2 391.269 2.136 20 0 GEADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000172073359 531932739 /nfs/dbraw/zinc/93/27/39/531932739.db2.gz GYWMJWQWKCBNHX-ZJUUUORDSA-N 1 2 378.288 2.431 20 0 GEADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000172073359 531932742 /nfs/dbraw/zinc/93/27/42/531932742.db2.gz GYWMJWQWKCBNHX-ZJUUUORDSA-N 1 2 378.288 2.431 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[NH+](CCc3scnc3C)CC2)cc1 ZINC000172070215 531933546 /nfs/dbraw/zinc/93/35/46/531933546.db2.gz FSGZKTVOLGYZAD-UHFFFAOYSA-N 1 2 381.523 2.009 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cn1 ZINC000171971800 531927515 /nfs/dbraw/zinc/92/75/15/531927515.db2.gz IKTPBPIOQAWQJI-CQSZACIVSA-N 1 2 376.320 2.138 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc(Br)cn1 ZINC000171971800 531927518 /nfs/dbraw/zinc/92/75/18/531927518.db2.gz IKTPBPIOQAWQJI-CQSZACIVSA-N 1 2 376.320 2.138 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000171999842 531927709 /nfs/dbraw/zinc/92/77/09/531927709.db2.gz JZSAECRPUVTVMK-JTQLQIEISA-N 1 2 378.288 2.433 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000171999842 531927715 /nfs/dbraw/zinc/92/77/15/531927715.db2.gz JZSAECRPUVTVMK-JTQLQIEISA-N 1 2 378.288 2.433 20 0 GEADLO O=C(c1cnn2cc(Br)cnc12)N1CC[NH+](Cc2ccco2)CC1 ZINC000093909027 531928594 /nfs/dbraw/zinc/92/85/94/531928594.db2.gz QDORETWHMYRIMM-UHFFFAOYSA-N 1 2 390.241 2.043 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCCC[C@H](SCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000112089322 531945025 /nfs/dbraw/zinc/94/50/25/531945025.db2.gz HSPNRMWQYSENAO-ULQDDVLXSA-N 1 2 390.615 2.408 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCCC[C@H](SCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000112089322 531945030 /nfs/dbraw/zinc/94/50/30/531945030.db2.gz HSPNRMWQYSENAO-ULQDDVLXSA-N 1 2 390.615 2.408 20 0 GEADLO COc1ccc(CCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1Br ZINC000114856571 531957814 /nfs/dbraw/zinc/95/78/14/531957814.db2.gz LITGCLANQNFZQB-OAHLLOKOSA-N 1 2 397.313 2.370 20 0 GEADLO COc1ccc(CCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1Br ZINC000114856571 531957820 /nfs/dbraw/zinc/95/78/20/531957820.db2.gz LITGCLANQNFZQB-OAHLLOKOSA-N 1 2 397.313 2.370 20 0 GEADLO O=C(CSc1ccc(C(F)(F)F)cn1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114857584 531958023 /nfs/dbraw/zinc/95/80/23/531958023.db2.gz WURMPRREXFZTMU-CYBMUJFWSA-N 1 2 375.416 2.172 20 0 GEADLO O=C(CSc1ccc(C(F)(F)F)cn1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114857584 531958027 /nfs/dbraw/zinc/95/80/27/531958027.db2.gz WURMPRREXFZTMU-CYBMUJFWSA-N 1 2 375.416 2.172 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000172476832 531955154 /nfs/dbraw/zinc/95/51/54/531955154.db2.gz IKHFIFCIUHEVKT-CQSZACIVSA-N 1 2 395.345 2.153 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](Cn2ccnn2)C1)Nc1ccccc1Br ZINC000119505670 531970885 /nfs/dbraw/zinc/97/08/85/531970885.db2.gz YDGPCYYLFGZXCR-ZDUSSCGKSA-N 1 2 378.274 2.391 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](Cn2ccnn2)C1)Nc1ccccc1Br ZINC000119505670 531970893 /nfs/dbraw/zinc/97/08/93/531970893.db2.gz YDGPCYYLFGZXCR-ZDUSSCGKSA-N 1 2 378.274 2.391 20 0 GEADLO O=C(c1cc(I)c[nH]1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120722087 531992872 /nfs/dbraw/zinc/99/28/72/531992872.db2.gz SFODSBAKFLFDIK-GFCCVEGCSA-N 1 2 383.189 2.308 20 0 GEADLO Cc1ccc(-n2cnnc2SCC(=O)NCCc2[nH]cc[nH+]2)cc1Cl ZINC000172992537 531979195 /nfs/dbraw/zinc/97/91/95/531979195.db2.gz DTLOBDOWRBLFHB-UHFFFAOYSA-N 1 2 376.873 2.403 20 0 GEADLO COC[C@H](C)[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000120611691 531985622 /nfs/dbraw/zinc/98/56/22/531985622.db2.gz RMKVOQXIPFRENZ-NSHDSACASA-N 1 2 397.360 2.242 20 0 GEADLO COC[C@H](C)[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000120611691 531985628 /nfs/dbraw/zinc/98/56/28/531985628.db2.gz RMKVOQXIPFRENZ-NSHDSACASA-N 1 2 397.360 2.242 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)NC(C)(C)CCS(C)(=O)=O)cn2c1 ZINC000173302397 532002657 /nfs/dbraw/zinc/00/26/57/532002657.db2.gz RAPKZRJCMJZYED-UHFFFAOYSA-N 1 2 383.539 2.205 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1ccc(Br)nc1 ZINC000173293902 532003269 /nfs/dbraw/zinc/00/32/69/532003269.db2.gz UBAYNFTXCUBNNW-UHFFFAOYSA-N 1 2 377.242 2.006 20 0 GEADLO CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000173421305 532010120 /nfs/dbraw/zinc/01/01/20/532010120.db2.gz JZKWDAIURSFTJB-UHFFFAOYSA-N 1 2 380.539 2.194 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000121080980 532011697 /nfs/dbraw/zinc/01/16/97/532011697.db2.gz HSJNDYXBJGOQBJ-VHSXEESVSA-N 1 2 385.287 2.075 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000121080980 532011701 /nfs/dbraw/zinc/01/17/01/532011701.db2.gz HSJNDYXBJGOQBJ-VHSXEESVSA-N 1 2 385.287 2.075 20 0 GEADLO CCCCN(C(=O)C[NH2+][C@](C)(CC)c1nccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000173496659 532014087 /nfs/dbraw/zinc/01/40/87/532014087.db2.gz SNGYQNPLVYBLQM-RHSMWYFYSA-N 1 2 387.571 2.174 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000173507327 532014724 /nfs/dbraw/zinc/01/47/24/532014724.db2.gz LQVDHRADPLFYEK-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000173507327 532014728 /nfs/dbraw/zinc/01/47/28/532014728.db2.gz LQVDHRADPLFYEK-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000173509838 532016621 /nfs/dbraw/zinc/01/66/21/532016621.db2.gz HTUYMHDICZKUIF-SECBINFHSA-N 1 2 377.304 2.278 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000173527780 532016894 /nfs/dbraw/zinc/01/68/94/532016894.db2.gz SZQDSKVLNXCYMQ-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO COc1ccc(Br)cc1CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000173557481 532019140 /nfs/dbraw/zinc/01/91/40/532019140.db2.gz XPAKCRASRWIJDU-CHWSQXEVSA-N 1 2 385.302 2.226 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)c1cc(I)c(F)cc1F ZINC000121364332 532024847 /nfs/dbraw/zinc/02/48/47/532024847.db2.gz HLCKSEUPKKYITH-UHFFFAOYSA-N 1 2 391.159 2.275 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1SCCc2ccccc21 ZINC000173760934 532030522 /nfs/dbraw/zinc/03/05/22/532030522.db2.gz DTVXQPJVVGRHRG-IEBWSBKVSA-N 1 2 378.563 2.341 20 0 GEADLO Cc1nsc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)n1 ZINC000173763184 532031267 /nfs/dbraw/zinc/03/12/67/532031267.db2.gz PSXGHYZEZGAJAK-NSHDSACASA-N 1 2 380.543 2.459 20 0 GEADLO Cc1nsc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)n1 ZINC000173763184 532031272 /nfs/dbraw/zinc/03/12/72/532031272.db2.gz PSXGHYZEZGAJAK-NSHDSACASA-N 1 2 380.543 2.459 20 0 GEADLO O=S(=O)(Cc1ccc(Br)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000173986721 532045574 /nfs/dbraw/zinc/04/55/74/532045574.db2.gz QGUDJXOGSRMMEM-UHFFFAOYSA-N 1 2 396.310 2.496 20 0 GEADLO OC[C@@H](O)C[N@H+](CCC(F)(F)F)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000122162614 532059913 /nfs/dbraw/zinc/05/99/13/532059913.db2.gz KOCQAGAVUFWFDM-LBPRGKRZSA-N 1 2 379.766 2.498 20 0 GEADLO OC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000122162614 532059915 /nfs/dbraw/zinc/05/99/15/532059915.db2.gz KOCQAGAVUFWFDM-LBPRGKRZSA-N 1 2 379.766 2.498 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000174365607 532062802 /nfs/dbraw/zinc/06/28/02/532062802.db2.gz DMGHGPVWVRIELV-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174484051 532066922 /nfs/dbraw/zinc/06/69/22/532066922.db2.gz COCUCTOTNWTDDY-ZDUSSCGKSA-N 1 2 393.285 2.262 20 0 GEADLO Nc1ccnc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)n1 ZINC000122376865 532067247 /nfs/dbraw/zinc/06/72/47/532067247.db2.gz AORXOJRKQZEELF-UHFFFAOYSA-N 1 2 391.273 2.067 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000174539864 532069745 /nfs/dbraw/zinc/06/97/45/532069745.db2.gz OVJBMWZGGXAWLA-UHFFFAOYSA-N 1 2 387.184 2.069 20 0 GEADLO Cn1cc(N2CC[NH+](Cc3cc4c(cc3Br)OCO4)CC2)cn1 ZINC000174937120 532083951 /nfs/dbraw/zinc/08/39/51/532083951.db2.gz WREXHPLJHGEGAU-UHFFFAOYSA-N 1 2 379.258 2.234 20 0 GEADLO Cn1cc(N2CC[NH+](Cc3ccc(I)cc3)CC2)cn1 ZINC000174921773 532084051 /nfs/dbraw/zinc/08/40/51/532084051.db2.gz NRUIUXNVXISSKE-UHFFFAOYSA-N 1 2 382.249 2.347 20 0 GEADLO NC(=O)NC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000174924482 532084356 /nfs/dbraw/zinc/08/43/56/532084356.db2.gz TXFCHRPAOXOCAO-UHFFFAOYSA-N 1 2 378.782 2.430 20 0 GEADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000175022325 532086290 /nfs/dbraw/zinc/08/62/90/532086290.db2.gz FGGFHSBIONGZEO-SDDRHHMPSA-N 1 2 376.881 2.164 20 0 GEADLO CCOC(=O)c1nc(NCCCCN2CC[NH+](C)CC2)ccc1Br ZINC000603274821 532086400 /nfs/dbraw/zinc/08/64/00/532086400.db2.gz JHACMNJILNUFET-UHFFFAOYSA-N 1 2 399.333 2.460 20 0 GEADLO COCCCS(=O)(=O)NCC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000175240421 532095203 /nfs/dbraw/zinc/09/52/03/532095203.db2.gz TYBYURQTTCETPA-MRXNPFEDSA-N 1 2 392.974 2.386 20 0 GEADLO COCCCS(=O)(=O)NCC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000175240421 532095206 /nfs/dbraw/zinc/09/52/06/532095206.db2.gz TYBYURQTTCETPA-MRXNPFEDSA-N 1 2 392.974 2.386 20 0 GEADLO O=C(NCC1CC[NH+](CCO)CC1)c1cc(Br)cc(Cl)c1O ZINC000123238670 532096848 /nfs/dbraw/zinc/09/68/48/532096848.db2.gz VJCVPKGGXPBDMM-UHFFFAOYSA-N 1 2 391.693 2.242 20 0 GEADLO CCCCOCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000123316141 532098026 /nfs/dbraw/zinc/09/80/26/532098026.db2.gz VFZFEMWHODLSOC-UHFFFAOYSA-N 1 2 390.933 2.472 20 0 GEADLO Cn1cc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc1Cl ZINC000123557306 532102537 /nfs/dbraw/zinc/10/25/37/532102537.db2.gz WCMAQXJENLGAPS-UHFFFAOYSA-N 1 2 386.880 2.109 20 0 GEADLO Cn1cc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc1Cl ZINC000123557306 532102543 /nfs/dbraw/zinc/10/25/43/532102543.db2.gz WCMAQXJENLGAPS-UHFFFAOYSA-N 1 2 386.880 2.109 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC000123679897 532105082 /nfs/dbraw/zinc/10/50/82/532105082.db2.gz KZEXQWTWCLAOCW-UHFFFAOYSA-N 1 2 388.917 2.082 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123754773 532106240 /nfs/dbraw/zinc/10/62/40/532106240.db2.gz PGCSXKPNCOUPEF-DETPVDSQSA-N 1 2 390.908 2.269 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123754773 532106244 /nfs/dbraw/zinc/10/62/44/532106244.db2.gz PGCSXKPNCOUPEF-DETPVDSQSA-N 1 2 390.908 2.269 20 0 GEADLO CC[NH+]1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC1 ZINC000123958132 532111732 /nfs/dbraw/zinc/11/17/32/532111732.db2.gz GEBZYKDNHHWRLI-UHFFFAOYSA-N 1 2 399.563 2.066 20 0 GEADLO CCOCCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000123786001 532107828 /nfs/dbraw/zinc/10/78/28/532107828.db2.gz KDEAVTWLWHRRGS-UHFFFAOYSA-N 1 2 376.906 2.082 20 0 GEADLO O=S(=O)(CC[NH+]1CCC2(CC1)OCCO2)c1cccc(Br)c1 ZINC000175576646 532108154 /nfs/dbraw/zinc/10/81/54/532108154.db2.gz ZWMCETMFQANOFE-UHFFFAOYSA-N 1 2 390.299 2.062 20 0 GEADLO CC(C)C[NH+]1CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000175565960 532108426 /nfs/dbraw/zinc/10/84/26/532108426.db2.gz IPJHYHUETINMNV-UHFFFAOYSA-N 1 2 389.359 2.496 20 0 GEADLO COC(=O)c1ccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)o1 ZINC000124100194 532115081 /nfs/dbraw/zinc/11/50/81/532115081.db2.gz FWYLHPLNLHPKIB-UHFFFAOYSA-N 1 2 384.479 2.071 20 0 GEADLO C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000175794245 532115104 /nfs/dbraw/zinc/11/51/04/532115104.db2.gz YYQCXFNXAIKUDY-QWHCGFSZSA-N 1 2 390.311 2.389 20 0 GEADLO CNC(=O)Cc1nc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)cs1 ZINC000125596237 532139279 /nfs/dbraw/zinc/13/92/79/532139279.db2.gz WJPZEVNRPGXIAB-AWEZNQCLSA-N 1 2 398.326 2.360 20 0 GEADLO CNC(=O)Cc1nc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)cs1 ZINC000125596237 532139281 /nfs/dbraw/zinc/13/92/81/532139281.db2.gz WJPZEVNRPGXIAB-AWEZNQCLSA-N 1 2 398.326 2.360 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCc2ccc(Cl)s2)CC1 ZINC000176254349 532131383 /nfs/dbraw/zinc/13/13/83/532131383.db2.gz LDIRFVNCNNGOET-CYBMUJFWSA-N 1 2 384.933 2.240 20 0 GEADLO Cc1nc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)sc1Br ZINC000125540520 532138037 /nfs/dbraw/zinc/13/80/37/532138037.db2.gz LNQDCPHMIFCXOZ-SECBINFHSA-N 1 2 382.349 2.224 20 0 GEADLO Cc1nc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)sc1Br ZINC000125540520 532138041 /nfs/dbraw/zinc/13/80/41/532138041.db2.gz LNQDCPHMIFCXOZ-SECBINFHSA-N 1 2 382.349 2.224 20 0 GEADLO COc1nc(N2CC[NH+](Cc3cccc(O)c3)CC2)ncc1Br ZINC000176818954 532151283 /nfs/dbraw/zinc/15/12/83/532151283.db2.gz RLXKQCQLRRAYCN-UHFFFAOYSA-N 1 2 379.258 2.276 20 0 GEADLO O=C1NC2(CCSCC2)C(=O)N1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000176862210 532152304 /nfs/dbraw/zinc/15/23/04/532152304.db2.gz YYSHPEAPXCJCBJ-UHFFFAOYSA-N 1 2 395.282 2.414 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000125742965 532141983 /nfs/dbraw/zinc/14/19/83/532141983.db2.gz UXCFWKIZKKHDFL-JOYOIKCWSA-N 1 2 386.823 2.356 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000125742965 532141986 /nfs/dbraw/zinc/14/19/86/532141986.db2.gz UXCFWKIZKKHDFL-JOYOIKCWSA-N 1 2 386.823 2.356 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000176575332 532142178 /nfs/dbraw/zinc/14/21/78/532142178.db2.gz GHSXPFLNADQRQJ-NUEKZKHPSA-N 1 2 387.307 2.248 20 0 GEADLO CN(Cc1nc[nH]n1)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000176634061 532144087 /nfs/dbraw/zinc/14/40/87/532144087.db2.gz SKSBSFVEGOFNPK-OAHLLOKOSA-N 1 2 378.274 2.363 20 0 GEADLO COC[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000176644538 532144946 /nfs/dbraw/zinc/14/49/46/532144946.db2.gz ZSPNXMVVWWIQFT-IRXDYDNUSA-N 1 2 397.313 2.460 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc(F)c(F)c(F)c1F ZINC000128521310 532165599 /nfs/dbraw/zinc/16/55/99/532165599.db2.gz PFDNJPZQLSHRCN-INIZCTEOSA-N 1 2 378.391 2.181 20 0 GEADLO CNC(=O)CCN(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000177342220 532168653 /nfs/dbraw/zinc/16/86/53/532168653.db2.gz HXLKIKAYYIVTKG-INIZCTEOSA-N 1 2 382.302 2.181 20 0 GEADLO CCCNC(=O)C[NH+]1CCC(NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000177058637 532160466 /nfs/dbraw/zinc/16/04/66/532160466.db2.gz ZPLLJMSQPIWLIH-UHFFFAOYSA-N 1 2 388.295 2.419 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)ccc1Cl ZINC000177773590 532182570 /nfs/dbraw/zinc/18/25/70/532182570.db2.gz YJWCFHPEBJNCCP-ZDUSSCGKSA-N 1 2 382.873 2.213 20 0 GEADLO Cn1cnnc1C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000177455047 532171506 /nfs/dbraw/zinc/17/15/06/532171506.db2.gz GBNVDNZBWZHNIB-UHFFFAOYSA-N 1 2 398.248 2.463 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCc2ccc(Br)cc21 ZINC000178032162 532191013 /nfs/dbraw/zinc/19/10/13/532191013.db2.gz WBJYWHDOMLZLSD-UHFFFAOYSA-N 1 2 399.248 2.302 20 0 GEADLO C[C@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)[C@H](C)[NH+]1CCOCC1 ZINC000130442554 532192343 /nfs/dbraw/zinc/19/23/43/532192343.db2.gz HAILZZLAZYCMLQ-SLEUVZQESA-N 1 2 383.286 2.151 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)s1)NCc1ccn2cc[nH+]c2c1 ZINC000178096094 532192600 /nfs/dbraw/zinc/19/26/00/532192600.db2.gz DTKBGWKAMWAHSS-UHFFFAOYSA-N 1 2 393.266 2.205 20 0 GEADLO O=C(N[C@H]1CCN(CC(F)(F)F)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000131313324 532196159 /nfs/dbraw/zinc/19/61/59/532196159.db2.gz DAJLMVSOAWWQSL-ZDUSSCGKSA-N 1 2 376.448 2.212 20 0 GEADLO O=S(=O)(NCCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1Cl ZINC000131536446 532198767 /nfs/dbraw/zinc/19/87/67/532198767.db2.gz MMXZEENJBKDAMR-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000129870447 532186207 /nfs/dbraw/zinc/18/62/07/532186207.db2.gz RLNWOLPWLKOUGI-SNVBAGLBSA-N 1 2 394.324 2.321 20 0 GEADLO Cc1cc(F)ccc1C[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000131885268 532205211 /nfs/dbraw/zinc/20/52/11/532205211.db2.gz RZQJYCAJVAWFGT-UHFFFAOYSA-N 1 2 383.411 2.085 20 0 GEADLO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000131883750 532205836 /nfs/dbraw/zinc/20/58/36/532205836.db2.gz QLUDIWPPEZWHPA-UKRRQHHQSA-N 1 2 383.480 2.430 20 0 GEADLO NC(=O)N1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000178568180 532206012 /nfs/dbraw/zinc/20/60/12/532206012.db2.gz HGUZSPXAOSCSMF-UHFFFAOYSA-N 1 2 378.782 2.384 20 0 GEADLO NC(=O)N1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000178568180 532206017 /nfs/dbraw/zinc/20/60/17/532206017.db2.gz HGUZSPXAOSCSMF-UHFFFAOYSA-N 1 2 378.782 2.384 20 0 GEADLO O=S(=O)(NCC(F)(F)F)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000131984397 532207793 /nfs/dbraw/zinc/20/77/93/532207793.db2.gz GYKRHPWPVADGBD-UHFFFAOYSA-N 1 2 385.839 2.291 20 0 GEADLO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178649404 532208240 /nfs/dbraw/zinc/20/82/40/532208240.db2.gz IYYRZIYQPSGWKR-OCCSQVGLSA-N 1 2 384.343 2.046 20 0 GEADLO C[C@H](C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O)[NH+]1CCSCC1 ZINC000132031878 532208808 /nfs/dbraw/zinc/20/88/08/532208808.db2.gz MROXDNAYMUHNGB-CJNGLKHVSA-N 1 2 381.929 2.341 20 0 GEADLO COCCCS(=O)(=O)N1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000132111322 532209489 /nfs/dbraw/zinc/20/94/89/532209489.db2.gz BHLVNERSMYBMLW-UHFFFAOYSA-N 1 2 390.933 2.093 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000178991911 532219086 /nfs/dbraw/zinc/21/90/86/532219086.db2.gz BWRHJAIHIQIGCI-RCBQFDQVSA-N 1 2 376.881 2.323 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000178991911 532219089 /nfs/dbraw/zinc/21/90/89/532219089.db2.gz BWRHJAIHIQIGCI-RCBQFDQVSA-N 1 2 376.881 2.323 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000131719261 532202773 /nfs/dbraw/zinc/20/27/73/532202773.db2.gz ANPWEMJLDAPBBJ-MRXNPFEDSA-N 1 2 394.313 2.310 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000179540279 532235107 /nfs/dbraw/zinc/23/51/07/532235107.db2.gz IOAWGWYVWVRDLU-UHFFFAOYSA-N 1 2 375.281 2.223 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179540279 532235108 /nfs/dbraw/zinc/23/51/08/532235108.db2.gz IOAWGWYVWVRDLU-UHFFFAOYSA-N 1 2 375.281 2.223 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178989699 532219506 /nfs/dbraw/zinc/21/95/06/532219506.db2.gz JWROHWWFHVZPGH-UHFFFAOYSA-N 1 2 379.825 2.253 20 0 GEADLO C[NH2+]C[C@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C1 ZINC000178997159 532220653 /nfs/dbraw/zinc/22/06/53/532220653.db2.gz DYYRGKJUEGTLLY-CYBMUJFWSA-N 1 2 379.507 2.230 20 0 GEADLO COCCCCS(=O)(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000132758928 532221077 /nfs/dbraw/zinc/22/10/77/532221077.db2.gz HOAICFWMIAXJBE-UHFFFAOYSA-N 1 2 390.933 2.093 20 0 GEADLO Cc1cc(Cl)c(NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1Cl ZINC000179124419 532222785 /nfs/dbraw/zinc/22/27/85/532222785.db2.gz UANMETUTOWSYIE-UHFFFAOYSA-N 1 2 388.295 2.467 20 0 GEADLO Cc1cc(Cl)c(NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1Cl ZINC000179124419 532222790 /nfs/dbraw/zinc/22/27/90/532222790.db2.gz UANMETUTOWSYIE-UHFFFAOYSA-N 1 2 388.295 2.467 20 0 GEADLO O=S(=O)(c1c(F)cccc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000132912728 532223956 /nfs/dbraw/zinc/22/39/56/532223956.db2.gz ULSQBWMIIFANKN-ZDUSSCGKSA-N 1 2 376.881 2.355 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000180020960 532253825 /nfs/dbraw/zinc/25/38/25/532253825.db2.gz QHUNOUHYIBAVQX-UHFFFAOYSA-N 1 2 391.331 2.449 20 0 GEADLO CC(C)NC(=O)C(=O)N1CC[NH+](C[C@H](C)c2cccc(Br)c2)CC1 ZINC000179792658 532244235 /nfs/dbraw/zinc/24/42/35/532244235.db2.gz LSQQTVFZHWUNCQ-AWEZNQCLSA-N 1 2 396.329 2.221 20 0 GEADLO C[C@H]1CCN(C(=O)c2cnn3cc(Br)cnc23)C[C@@H]1n1cc[nH+]c1 ZINC000179806193 532244775 /nfs/dbraw/zinc/24/47/75/532244775.db2.gz AIYRSGWXCCMOKB-FZMZJTMJSA-N 1 2 389.257 2.412 20 0 GEADLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000133477953 532236588 /nfs/dbraw/zinc/23/65/88/532236588.db2.gz LPVYCAOMICPHEB-CYBMUJFWSA-N 1 2 384.318 2.254 20 0 GEADLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000133477953 532236592 /nfs/dbraw/zinc/23/65/92/532236592.db2.gz LPVYCAOMICPHEB-CYBMUJFWSA-N 1 2 384.318 2.254 20 0 GEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cc(Cl)c(OC)cc1Cl ZINC000179588818 532236707 /nfs/dbraw/zinc/23/67/07/532236707.db2.gz INVWQQOZXBRADZ-UHFFFAOYSA-N 1 2 391.295 2.309 20 0 GEADLO O=C(C[NH+]1CCN(Cc2ccc(Cl)c(Br)c2)CC1)NC1CC1 ZINC000179610409 532238498 /nfs/dbraw/zinc/23/84/98/532238498.db2.gz QQUMJNWCEYPXRZ-UHFFFAOYSA-N 1 2 386.721 2.499 20 0 GEADLO Cn1cc(N2CC[NH+](Cc3cc(Br)c4c(c3)OCCO4)CC2)cn1 ZINC000179652608 532239721 /nfs/dbraw/zinc/23/97/21/532239721.db2.gz MAQKDNWCDQXVEC-UHFFFAOYSA-N 1 2 393.285 2.276 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ncc(Br)cc1Br ZINC000135303604 532270261 /nfs/dbraw/zinc/27/02/61/532270261.db2.gz IWPOAPSOQLWEIS-ZETCQYMHSA-N 1 2 386.109 2.129 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2sc(C)cc2OC(F)F)[C@H](C)C1 ZINC000180384210 532270382 /nfs/dbraw/zinc/27/03/82/532270382.db2.gz WUROFWHZPDWBNB-SNVBAGLBSA-N 1 2 376.425 2.367 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2sc(C)cc2OC(F)F)[C@H](C)C1 ZINC000180384210 532270384 /nfs/dbraw/zinc/27/03/84/532270384.db2.gz WUROFWHZPDWBNB-SNVBAGLBSA-N 1 2 376.425 2.367 20 0 GEADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000135365166 532271193 /nfs/dbraw/zinc/27/11/93/532271193.db2.gz OXZOZGLVZUZFEQ-OAHLLOKOSA-N 1 2 375.252 2.178 20 0 GEADLO C[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H](CO)C(C)(C)C ZINC000134411243 532255890 /nfs/dbraw/zinc/25/58/90/532255890.db2.gz FINLKSSSZYNVKR-AWEZNQCLSA-N 1 2 376.906 2.021 20 0 GEADLO C[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H](CO)C(C)(C)C ZINC000134411243 532255892 /nfs/dbraw/zinc/25/58/92/532255892.db2.gz FINLKSSSZYNVKR-AWEZNQCLSA-N 1 2 376.906 2.021 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)sc1Br ZINC000180107382 532258055 /nfs/dbraw/zinc/25/80/55/532258055.db2.gz DQLKSKXTLOGJNN-APPZFPTMSA-N 1 2 380.333 2.118 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)sc1Br ZINC000180107382 532258059 /nfs/dbraw/zinc/25/80/59/532258059.db2.gz DQLKSKXTLOGJNN-APPZFPTMSA-N 1 2 380.333 2.118 20 0 GEADLO CC(C)(CNC(=O)NCCOc1ncc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000134594715 532258080 /nfs/dbraw/zinc/25/80/80/532258080.db2.gz KZJSNWFRDJUJQQ-UHFFFAOYSA-N 1 2 391.299 2.177 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCCC[C@H](SC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000134613331 532259319 /nfs/dbraw/zinc/25/93/19/532259319.db2.gz GOXABNIWXUSXAT-HOTGVXAUSA-N 1 2 376.588 2.020 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCCC[C@H](SC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000134613331 532259322 /nfs/dbraw/zinc/25/93/22/532259322.db2.gz GOXABNIWXUSXAT-HOTGVXAUSA-N 1 2 376.588 2.020 20 0 GEADLO Cc1n[nH]cc1C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000180737292 532279096 /nfs/dbraw/zinc/27/90/96/532279096.db2.gz RPVFYTANDIQPDL-UHFFFAOYSA-N 1 2 392.301 2.237 20 0 GEADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccncc1I ZINC000135812371 532279706 /nfs/dbraw/zinc/27/97/06/532279706.db2.gz YPWVKSIQNTVLRU-NSHDSACASA-N 1 2 394.216 2.090 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(Br)cs2)[C@@H](C)C1 ZINC000180820408 532282428 /nfs/dbraw/zinc/28/24/28/532282428.db2.gz KVGMCFHPLVVADL-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(Br)cs2)[C@@H](C)C1 ZINC000180820408 532282430 /nfs/dbraw/zinc/28/24/30/532282430.db2.gz KVGMCFHPLVVADL-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cccc(Br)n1 ZINC000136317378 532283881 /nfs/dbraw/zinc/28/38/81/532283881.db2.gz YIJYASZPUSZKDQ-UHFFFAOYSA-N 1 2 377.242 2.006 20 0 GEADLO C[C@@H](CN1CCOCC1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000180475543 532272835 /nfs/dbraw/zinc/27/28/35/532272835.db2.gz RIGQWUZWVXDWJE-AWEZNQCLSA-N 1 2 386.323 2.472 20 0 GEADLO C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000139773380 532293665 /nfs/dbraw/zinc/29/36/65/532293665.db2.gz GVFMNPMFOKEIIK-LBPRGKRZSA-N 1 2 381.420 2.070 20 0 GEADLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181295224 532295317 /nfs/dbraw/zinc/29/53/17/532295317.db2.gz NPXJHPCLEMFCQR-FZMZJTMJSA-N 1 2 382.810 2.421 20 0 GEADLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181295224 532295321 /nfs/dbraw/zinc/29/53/21/532295321.db2.gz NPXJHPCLEMFCQR-FZMZJTMJSA-N 1 2 382.810 2.421 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000181527120 532301024 /nfs/dbraw/zinc/30/10/24/532301024.db2.gz DGUJVMOHJMLVGP-GFCCVEGCSA-N 1 2 380.794 2.124 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(OCC)c2OC(F)F)C1 ZINC000181560898 532301695 /nfs/dbraw/zinc/30/16/95/532301695.db2.gz JXFBIEKHEAFWBF-ZDUSSCGKSA-N 1 2 378.441 2.200 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(OCC)c2OC(F)F)C1 ZINC000181560898 532301696 /nfs/dbraw/zinc/30/16/96/532301696.db2.gz JXFBIEKHEAFWBF-ZDUSSCGKSA-N 1 2 378.441 2.200 20 0 GEADLO C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Cl)C[NH+]1CCOCC1 ZINC000181649885 532303608 /nfs/dbraw/zinc/30/36/08/532303608.db2.gz DKVGTYAWIFFYFB-LBPRGKRZSA-N 1 2 381.325 2.381 20 0 GEADLO CCS(=O)(=O)N1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000181646823 532304176 /nfs/dbraw/zinc/30/41/76/532304176.db2.gz DQGQXZUTFUVCLE-UHFFFAOYSA-N 1 2 375.332 2.349 20 0 GEADLO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000181690002 532304892 /nfs/dbraw/zinc/30/48/92/532304892.db2.gz NIBXFMADSPJFJT-ZDUSSCGKSA-N 1 2 375.281 2.062 20 0 GEADLO COCCc1noc(C[N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)n1 ZINC000150999610 532305810 /nfs/dbraw/zinc/30/58/10/532305810.db2.gz ACXPDAOVRVSWDE-LBPRGKRZSA-N 1 2 390.267 2.437 20 0 GEADLO COCCc1noc(C[N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)n1 ZINC000150999610 532305814 /nfs/dbraw/zinc/30/58/14/532305814.db2.gz ACXPDAOVRVSWDE-LBPRGKRZSA-N 1 2 390.267 2.437 20 0 GEADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1c(F)cccc1Cl ZINC000181758719 532306072 /nfs/dbraw/zinc/30/60/72/532306072.db2.gz MNTXGTSPSYHRAA-SNVBAGLBSA-N 1 2 385.848 2.416 20 0 GEADLO O=C(CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)NCC(F)(F)F ZINC000181801038 532306780 /nfs/dbraw/zinc/30/67/80/532306780.db2.gz PJNOCBQMRBHHCT-UHFFFAOYSA-N 1 2 377.794 2.053 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CC(=O)NCC(F)(F)F)n2)C1 ZINC000181915893 532307400 /nfs/dbraw/zinc/30/74/00/532307400.db2.gz JUSMEDHJSLBFGF-SNVBAGLBSA-N 1 2 378.420 2.382 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CC(=O)NCC(F)(F)F)n2)C1 ZINC000181915893 532307402 /nfs/dbraw/zinc/30/74/02/532307402.db2.gz JUSMEDHJSLBFGF-SNVBAGLBSA-N 1 2 378.420 2.382 20 0 GEADLO CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000182047006 532308775 /nfs/dbraw/zinc/30/87/75/532308775.db2.gz NOCQPEOGBADBCA-CQSZACIVSA-N 1 2 399.285 2.149 20 0 GEADLO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000182047006 532308778 /nfs/dbraw/zinc/30/87/78/532308778.db2.gz NOCQPEOGBADBCA-CQSZACIVSA-N 1 2 399.285 2.149 20 0 GEADLO COc1cc(Br)ccc1CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000182068471 532309073 /nfs/dbraw/zinc/30/90/73/532309073.db2.gz DBMJMHKBCHATMV-ZDUSSCGKSA-N 1 2 396.329 2.242 20 0 GEADLO CC(C)(C)OC(=O)CNC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000182329888 532311857 /nfs/dbraw/zinc/31/18/57/532311857.db2.gz WAQPMURDEFAQOL-UHFFFAOYSA-N 1 2 391.295 2.246 20 0 GEADLO CC(C)(C)OC(=O)CNC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000182329888 532311858 /nfs/dbraw/zinc/31/18/58/532311858.db2.gz WAQPMURDEFAQOL-UHFFFAOYSA-N 1 2 391.295 2.246 20 0 GEADLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000182407821 532312744 /nfs/dbraw/zinc/31/27/44/532312744.db2.gz OWNCYISVBRHGFC-LBPRGKRZSA-N 1 2 381.325 2.212 20 0 GEADLO Cc1c([C@H](C)[NH2+]Cc2nnnn2-c2ccccc2Br)cnn1C ZINC000183342149 532323573 /nfs/dbraw/zinc/32/35/73/532323573.db2.gz CSHCPKIMNQNYHQ-JTQLQIEISA-N 1 2 376.262 2.318 20 0 GEADLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185639592 532338261 /nfs/dbraw/zinc/33/82/61/532338261.db2.gz SEERWGDGGOSZAA-CQSZACIVSA-N 1 2 387.249 2.404 20 0 GEADLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185639592 532338262 /nfs/dbraw/zinc/33/82/62/532338262.db2.gz SEERWGDGGOSZAA-CQSZACIVSA-N 1 2 387.249 2.404 20 0 GEADLO CSc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000185677524 532338273 /nfs/dbraw/zinc/33/82/73/532338273.db2.gz BIBRYGKSBPGYKJ-LBPRGKRZSA-N 1 2 378.947 2.309 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2CCOc3cc[nH+]cc32)c1 ZINC000185913323 532338980 /nfs/dbraw/zinc/33/89/80/532338980.db2.gz AEQBTAQLWXWQEX-UHFFFAOYSA-N 1 2 385.239 2.440 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185960224 532339280 /nfs/dbraw/zinc/33/92/80/532339280.db2.gz SAPRUGKREUYYGA-HNNXBMFYSA-N 1 2 388.331 2.199 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185960224 532339281 /nfs/dbraw/zinc/33/92/81/532339281.db2.gz SAPRUGKREUYYGA-HNNXBMFYSA-N 1 2 388.331 2.199 20 0 GEADLO C[C@H](C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000186207579 532340078 /nfs/dbraw/zinc/34/00/78/532340078.db2.gz PJLAPAHLSWHRNR-CQSZACIVSA-N 1 2 385.339 2.278 20 0 GEADLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)C1 ZINC000186810512 532342068 /nfs/dbraw/zinc/34/20/68/532342068.db2.gz MPCLPRJAGCLBFR-OAHLLOKOSA-N 1 2 388.917 2.128 20 0 GEADLO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)C1 ZINC000186810512 532342069 /nfs/dbraw/zinc/34/20/69/532342069.db2.gz MPCLPRJAGCLBFR-OAHLLOKOSA-N 1 2 388.917 2.128 20 0 GEADLO CCN(C(=O)[C@H](C)[NH+]1CCC(c2ccsc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000186923684 532342678 /nfs/dbraw/zinc/34/26/78/532342678.db2.gz AGGLWHAYEMSDPF-YOEHRIQHSA-N 1 2 384.567 2.352 20 0 GEADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000186939710 532342682 /nfs/dbraw/zinc/34/26/82/532342682.db2.gz VNIASKVPDMLVBB-NSHDSACASA-N 1 2 395.301 2.243 20 0 GEADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000186939710 532342683 /nfs/dbraw/zinc/34/26/83/532342683.db2.gz VNIASKVPDMLVBB-NSHDSACASA-N 1 2 395.301 2.243 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183747735 532328869 /nfs/dbraw/zinc/32/88/69/532328869.db2.gz UTTBKEKSXZOQLV-JTQLQIEISA-N 1 2 377.297 2.487 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000184394617 532332701 /nfs/dbraw/zinc/33/27/01/532332701.db2.gz NXTKNFBRVALWJA-LBPRGKRZSA-N 1 2 395.301 2.450 20 0 GEADLO Cc1nc(N2CCN(S(=O)(=O)Cc3cc(Cl)ccc3F)CC2)cc[nH+]1 ZINC000184958193 532336197 /nfs/dbraw/zinc/33/61/97/532336197.db2.gz VQOKEHBBRALPTD-UHFFFAOYSA-N 1 2 384.864 2.230 20 0 GEADLO C[C@H](CNC(=O)c1cc(I)ccc1O)Cn1cc[nH+]c1 ZINC000187943892 532346185 /nfs/dbraw/zinc/34/61/85/532346185.db2.gz QFUFUWDORXFXHD-SNVBAGLBSA-N 1 2 385.205 2.259 20 0 GEADLO O=C(Cc1ccc(F)cc1Br)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000188177460 532347181 /nfs/dbraw/zinc/34/71/81/532347181.db2.gz GSUUDMAEQGRTRW-HNNXBMFYSA-N 1 2 385.277 2.454 20 0 GEADLO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188226549 532347441 /nfs/dbraw/zinc/34/74/41/532347441.db2.gz WVWHHQCIOARKNF-UHFFFAOYSA-N 1 2 382.251 2.073 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000188285150 532347688 /nfs/dbraw/zinc/34/76/88/532347688.db2.gz CTUYQYHHNHQRTL-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000188708893 532349124 /nfs/dbraw/zinc/34/91/24/532349124.db2.gz XRTYEMMKLNELEW-AWEZNQCLSA-N 1 2 395.345 2.153 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC[N@@H+]1CCO ZINC000188724539 532349456 /nfs/dbraw/zinc/34/94/56/532349456.db2.gz OHMJFDAXSKFJTE-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC[N@H+]1CCO ZINC000188724539 532349457 /nfs/dbraw/zinc/34/94/57/532349457.db2.gz OHMJFDAXSKFJTE-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188808091 532349777 /nfs/dbraw/zinc/34/97/77/532349777.db2.gz VRMZCOFTIQGQSC-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@H+]1CC(C)(C)O ZINC000188808091 532349778 /nfs/dbraw/zinc/34/97/78/532349778.db2.gz VRMZCOFTIQGQSC-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1cc(Br)ccc1Cl ZINC000189102801 532350888 /nfs/dbraw/zinc/35/08/88/532350888.db2.gz NMZWXUJPUAUWJD-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1cc(Br)ccc1Cl ZINC000189102801 532350889 /nfs/dbraw/zinc/35/08/89/532350889.db2.gz NMZWXUJPUAUWJD-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO COc1ccccc1C[NH+]1CCN(S(=O)(=O)CCc2cccs2)CC1 ZINC000189587401 532352913 /nfs/dbraw/zinc/35/29/13/532352913.db2.gz YNRYOEUVMXISBU-UHFFFAOYSA-N 1 2 380.535 2.447 20 0 GEADLO Cc1csc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1I ZINC000189714881 532353290 /nfs/dbraw/zinc/35/32/90/532353290.db2.gz JZUSGNZCOSBZMX-JTQLQIEISA-N 1 2 394.278 2.112 20 0 GEADLO COC(=O)CCNC(=O)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189814290 532353796 /nfs/dbraw/zinc/35/37/96/532353796.db2.gz HSUKSGFSQMIKQS-UHFFFAOYSA-N 1 2 383.286 2.308 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000190264062 532355502 /nfs/dbraw/zinc/35/55/02/532355502.db2.gz FHTJIWOKBMSRMB-WCQYABFASA-N 1 2 383.495 2.311 20 0 GEADLO C[C@@H]1CSCC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000190398992 532355911 /nfs/dbraw/zinc/35/59/11/532355911.db2.gz GKMOOORORJXGDM-NSHDSACASA-N 1 2 378.466 2.306 20 0 GEADLO C[C@@H]1CSCC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000190398992 532355912 /nfs/dbraw/zinc/35/59/12/532355912.db2.gz GKMOOORORJXGDM-NSHDSACASA-N 1 2 378.466 2.306 20 0 GEADLO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000190455238 532356181 /nfs/dbraw/zinc/35/61/81/532356181.db2.gz LEOGAJOOPUWANB-NXEZZACHSA-N 1 2 392.258 2.296 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000190831974 532358160 /nfs/dbraw/zinc/35/81/60/532358160.db2.gz UDQAQCUEMFTHAO-INIZCTEOSA-N 1 2 389.587 2.214 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000190831974 532358161 /nfs/dbraw/zinc/35/81/61/532358161.db2.gz UDQAQCUEMFTHAO-INIZCTEOSA-N 1 2 389.587 2.214 20 0 GEADLO C[C@H]1CN(CC[NH+]2CCN(Cc3ccc(Br)s3)CC2)CCO1 ZINC000191415551 532360876 /nfs/dbraw/zinc/36/08/76/532360876.db2.gz CZPJSUTYJHAFQC-AWEZNQCLSA-N 1 2 388.375 2.349 20 0 GEADLO C[C@@H]1COCCN1CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000191430566 532360887 /nfs/dbraw/zinc/36/08/87/532360887.db2.gz ZXUUZAPIIXHGFH-CQSZACIVSA-N 1 2 386.323 2.472 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)NCc1cc(Br)ccc1C ZINC000191262750 532360179 /nfs/dbraw/zinc/36/01/79/532360179.db2.gz IYSGCKUYRRJYHT-UHFFFAOYSA-N 1 2 378.226 2.416 20 0 GEADLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191304991 532360298 /nfs/dbraw/zinc/36/02/98/532360298.db2.gz NWLTYKYZXUGBCA-NSHDSACASA-N 1 2 379.452 2.230 20 0 GEADLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191304991 532360299 /nfs/dbraw/zinc/36/02/99/532360299.db2.gz NWLTYKYZXUGBCA-NSHDSACASA-N 1 2 379.452 2.230 20 0 GEADLO C[N@H+](CC(=O)NC1CC1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191347855 532360453 /nfs/dbraw/zinc/36/04/53/532360453.db2.gz KIOBXLCQNJYLPW-UHFFFAOYSA-N 1 2 385.302 2.309 20 0 GEADLO C[N@@H+](CC(=O)NC1CC1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191347855 532360454 /nfs/dbraw/zinc/36/04/54/532360454.db2.gz KIOBXLCQNJYLPW-UHFFFAOYSA-N 1 2 385.302 2.309 20 0 GEADLO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](O)CSC)CC2)cc1 ZINC000187741300 532345388 /nfs/dbraw/zinc/34/53/88/532345388.db2.gz ILFHTPYPLJITKX-DOTOQJQBSA-N 1 2 386.583 2.230 20 0 GEADLO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)CSC)CC2)cc1 ZINC000187741243 532345471 /nfs/dbraw/zinc/34/54/71/532345471.db2.gz ILFHTPYPLJITKX-WBVHZDCISA-N 1 2 386.583 2.230 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)CCc1ccc(Cl)cc1)[NH+]1CCN(C)CC1 ZINC000425201433 532373283 /nfs/dbraw/zinc/37/32/83/532373283.db2.gz LQDKRIFTPNNEAY-GOSISDBHSA-N 1 2 387.977 2.074 20 0 GEADLO C[C@@H](C(=O)N(CCO)CC[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000677443427 532374083 /nfs/dbraw/zinc/37/40/83/532374083.db2.gz RKKZRRTZBGCUJK-CYBMUJFWSA-N 1 2 375.296 2.250 20 0 GEADLO CSc1ccc([C@H](CNC(=O)CS(=O)(=O)C2CCCC2)[NH+](C)C)cc1 ZINC000294687486 532375954 /nfs/dbraw/zinc/37/59/54/532375954.db2.gz GBYXKMWXTVUQOI-KRWDZBQOSA-N 1 2 384.567 2.485 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CCS(=O)(=O)CC[C@H]1C)c1ccsc1 ZINC000191973949 532377109 /nfs/dbraw/zinc/37/71/09/532377109.db2.gz ZFNQZPVLHKUWON-GDBMZVCRSA-N 1 2 387.571 2.350 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000516063393 532377321 /nfs/dbraw/zinc/37/73/21/532377321.db2.gz PLFOYUHAGMRXFL-LBPRGKRZSA-N 1 2 385.686 2.425 20 0 GEADLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3c(OC)cccc3OC)sc2C1 ZINC000372229900 532378003 /nfs/dbraw/zinc/37/80/03/532378003.db2.gz BDEYCGIKDJTMDX-UHFFFAOYSA-N 1 2 383.495 2.339 20 0 GEADLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3c(OC)cccc3OC)sc2C1 ZINC000372229900 532378007 /nfs/dbraw/zinc/37/80/07/532378007.db2.gz BDEYCGIKDJTMDX-UHFFFAOYSA-N 1 2 383.495 2.339 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCSc1nnnn1-c1ccc(Br)cc1 ZINC000191569639 532361429 /nfs/dbraw/zinc/36/14/29/532361429.db2.gz CUPVVCVXIWCFPG-LLVKDONJSA-N 1 2 384.303 2.238 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCSc1nnnn1-c1ccc(Br)cc1 ZINC000191569639 532361430 /nfs/dbraw/zinc/36/14/30/532361430.db2.gz CUPVVCVXIWCFPG-LLVKDONJSA-N 1 2 384.303 2.238 20 0 GEADLO CC(=O)N1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000191609312 532361584 /nfs/dbraw/zinc/36/15/84/532361584.db2.gz DRUWYDUZJMBADZ-UHFFFAOYSA-N 1 2 396.329 2.340 20 0 GEADLO CC(=O)N1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000191609312 532361585 /nfs/dbraw/zinc/36/15/85/532361585.db2.gz DRUWYDUZJMBADZ-UHFFFAOYSA-N 1 2 396.329 2.340 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)c3cnn4c3OCCC4)[nH+]c12 ZINC000515407308 532362754 /nfs/dbraw/zinc/36/27/54/532362754.db2.gz IGDVVMQMEVJSPW-UHFFFAOYSA-N 1 2 390.241 2.314 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000294525060 532364539 /nfs/dbraw/zinc/36/45/39/532364539.db2.gz GJWXMWABEVVYKF-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000294525060 532364544 /nfs/dbraw/zinc/36/45/44/532364544.db2.gz GJWXMWABEVVYKF-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO C[C@H](C(=O)NCc1cccs1)[S@@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000463024989 532365656 /nfs/dbraw/zinc/36/56/56/532365656.db2.gz ZZAHWSSOFCLORA-ZZDSUILFSA-N 1 2 379.429 2.461 20 0 GEADLO COc1c(N)[nH+]cnc1N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000515498883 532365851 /nfs/dbraw/zinc/36/58/51/532365851.db2.gz JVCGGSUDBRZCHJ-UHFFFAOYSA-N 1 2 382.251 2.337 20 0 GEADLO COc1c(N)nc[nH+]c1N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000515498883 532365857 /nfs/dbraw/zinc/36/58/57/532365857.db2.gz JVCGGSUDBRZCHJ-UHFFFAOYSA-N 1 2 382.251 2.337 20 0 GEADLO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000677600845 532379689 /nfs/dbraw/zinc/37/96/89/532379689.db2.gz MABQGHCRRNXINW-HNNXBMFYSA-N 1 2 379.309 2.230 20 0 GEADLO COC(=O)C[C@@]1([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CCOC1 ZINC000463697693 532380885 /nfs/dbraw/zinc/38/08/85/532380885.db2.gz JKQWFPMJIJIQLF-INIZCTEOSA-N 1 2 385.251 2.386 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000677649106 532380936 /nfs/dbraw/zinc/38/09/36/532380936.db2.gz YFNIRRAWSGMRCT-UHFFFAOYSA-N 1 2 391.331 2.356 20 0 GEADLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)CCn1cc(Br)cn1 ZINC000590710784 532381952 /nfs/dbraw/zinc/38/19/52/532381952.db2.gz AKDRTPQMNDNIRU-UHFFFAOYSA-N 1 2 394.195 2.453 20 0 GEADLO CCN(CC)c1ccc(CNS(=O)(=O)c2c[nH]nc2C(F)(F)F)c[nH+]1 ZINC000647896120 532383567 /nfs/dbraw/zinc/38/35/67/532383567.db2.gz WYWQYNRPMOLLRR-UHFFFAOYSA-N 1 2 377.392 2.148 20 0 GEADLO O=C1[C@@H]([N@H+](CCO)Cc2cccnc2)CCN1c1cccc(Br)c1 ZINC000192074425 532383790 /nfs/dbraw/zinc/38/37/90/532383790.db2.gz VSTOAFFRYWRTME-KRWDZBQOSA-N 1 2 390.281 2.444 20 0 GEADLO O=C1[C@@H]([N@@H+](CCO)Cc2cccnc2)CCN1c1cccc(Br)c1 ZINC000192074425 532383796 /nfs/dbraw/zinc/38/37/96/532383796.db2.gz VSTOAFFRYWRTME-KRWDZBQOSA-N 1 2 390.281 2.444 20 0 GEADLO C[C@H]([C@H](C)NC(=O)Nc1cnc2c(Br)cccn12)[NH+]1CCOCC1 ZINC000425674705 532388718 /nfs/dbraw/zinc/38/87/18/532388718.db2.gz PRTHEMQUHZRVFX-NWDGAFQWSA-N 1 2 396.289 2.328 20 0 GEADLO O=C([C@@H]1CCCC(=O)N1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000677977165 532389419 /nfs/dbraw/zinc/38/94/19/532389419.db2.gz TWFHIHKZVDVLCY-INIZCTEOSA-N 1 2 384.307 2.349 20 0 GEADLO C[C@H](CNC(=O)c1cccnc1-n1cc(Br)cn1)Cn1cc[nH+]c1 ZINC000294891241 532389668 /nfs/dbraw/zinc/38/96/68/532389668.db2.gz IPUWVYOTPQOTJW-GFCCVEGCSA-N 1 2 389.257 2.292 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000372404853 532389925 /nfs/dbraw/zinc/38/99/25/532389925.db2.gz PWXJGQJMYRUVME-JTQLQIEISA-N 1 2 383.333 2.033 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000372404853 532389931 /nfs/dbraw/zinc/38/99/31/532389931.db2.gz PWXJGQJMYRUVME-JTQLQIEISA-N 1 2 383.333 2.033 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000372404854 532389986 /nfs/dbraw/zinc/38/99/86/532389986.db2.gz PWXJGQJMYRUVME-SNVBAGLBSA-N 1 2 383.333 2.033 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000372404854 532389989 /nfs/dbraw/zinc/38/99/89/532389989.db2.gz PWXJGQJMYRUVME-SNVBAGLBSA-N 1 2 383.333 2.033 20 0 GEADLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nc(C)cs2)c1 ZINC000623912715 532390770 /nfs/dbraw/zinc/39/07/70/532390770.db2.gz RGXXQVXRLOHHCD-VXGBXAGGSA-N 1 2 382.511 2.037 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2coc(Br)c2)cn1 ZINC000516805889 532391764 /nfs/dbraw/zinc/39/17/64/532391764.db2.gz CLZZZLBVOKDWGN-UHFFFAOYSA-N 1 2 378.230 2.315 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000516842906 532392822 /nfs/dbraw/zinc/39/28/22/532392822.db2.gz HACXARUFEGAINM-UHFFFAOYSA-N 1 2 388.295 2.043 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000516842906 532392827 /nfs/dbraw/zinc/39/28/27/532392827.db2.gz HACXARUFEGAINM-UHFFFAOYSA-N 1 2 388.295 2.043 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000294968945 532393043 /nfs/dbraw/zinc/39/30/43/532393043.db2.gz IUJLAQOOTTYGPO-ONEGZZNKSA-N 1 2 399.314 2.103 20 0 GEADLO Cc1csc([C@@H](C)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)n1 ZINC000623955319 532393049 /nfs/dbraw/zinc/39/30/49/532393049.db2.gz WCRFESAEDJMYLP-CYBMUJFWSA-N 1 2 381.527 2.101 20 0 GEADLO Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1Br ZINC000516898277 532396220 /nfs/dbraw/zinc/39/62/20/532396220.db2.gz SYJFLNFRVWMOTF-JTQLQIEISA-N 1 2 377.242 2.093 20 0 GEADLO Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1Br ZINC000516898277 532396227 /nfs/dbraw/zinc/39/62/27/532396227.db2.gz SYJFLNFRVWMOTF-JTQLQIEISA-N 1 2 377.242 2.093 20 0 GEADLO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000678631080 532398893 /nfs/dbraw/zinc/39/88/93/532398893.db2.gz XQGQPKOBGFVHCQ-UONOGXRCSA-N 1 2 375.296 2.140 20 0 GEADLO Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)sc1C ZINC000678613384 532399479 /nfs/dbraw/zinc/39/94/79/532399479.db2.gz CSWAIVBPCGKGDQ-UHFFFAOYSA-N 1 2 381.523 2.457 20 0 GEADLO COc1ccc(Br)c2[nH]c(C(=O)NCC[N@H+]3CCOC[C@H]3C)cc21 ZINC000591227365 532402534 /nfs/dbraw/zinc/40/25/34/532402534.db2.gz BJVCDFVFMYMBLG-LLVKDONJSA-N 1 2 396.285 2.390 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCS1)c1ccccc1Cl ZINC000559415947 532402145 /nfs/dbraw/zinc/40/21/45/532402145.db2.gz KKPJTQUHTXTPOI-CJNGLKHVSA-N 1 2 383.945 2.461 20 0 GEADLO COCC(C)(C)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000426054746 532402345 /nfs/dbraw/zinc/40/23/45/532402345.db2.gz LLCOIYWXASBNOM-UHFFFAOYSA-N 1 2 380.432 2.083 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000591230366 532402481 /nfs/dbraw/zinc/40/24/81/532402481.db2.gz RUQPNDSWTQATFR-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000591230366 532402487 /nfs/dbraw/zinc/40/24/87/532402487.db2.gz RUQPNDSWTQATFR-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO COc1ccc(Br)c2[nH]c(C(=O)NCC[N@@H+]3CCOC[C@H]3C)cc21 ZINC000591227365 532402527 /nfs/dbraw/zinc/40/25/27/532402527.db2.gz BJVCDFVFMYMBLG-LLVKDONJSA-N 1 2 396.285 2.390 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000679424719 532404083 /nfs/dbraw/zinc/40/40/83/532404083.db2.gz KSDMXDJSDIBIDY-MRXNPFEDSA-N 1 2 382.917 2.098 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000679424719 532404090 /nfs/dbraw/zinc/40/40/90/532404090.db2.gz KSDMXDJSDIBIDY-MRXNPFEDSA-N 1 2 382.917 2.098 20 0 GEADLO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000517114417 532405717 /nfs/dbraw/zinc/40/57/17/532405717.db2.gz NIOOKPYPZUSIRW-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000517114417 532405723 /nfs/dbraw/zinc/40/57/23/532405723.db2.gz NIOOKPYPZUSIRW-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591324555 532406994 /nfs/dbraw/zinc/40/69/94/532406994.db2.gz CKXBOEOARDFCHX-LBPRGKRZSA-N 1 2 383.857 2.349 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427045290 532409941 /nfs/dbraw/zinc/40/99/41/532409941.db2.gz QBNAVWQDXNQANP-GFCCVEGCSA-N 1 2 377.242 2.024 20 0 GEADLO O=S(=O)(C1=Cc2ccccc2OCC1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000372774616 532408369 /nfs/dbraw/zinc/40/83/69/532408369.db2.gz BAXLEOUEFAXSKD-INIZCTEOSA-N 1 2 380.535 2.263 20 0 GEADLO Cc1cc(Br)c(F)cc1S(=O)(=O)NCCc1c[nH+]cn1C ZINC000625124179 532411553 /nfs/dbraw/zinc/41/15/53/532411553.db2.gz VWAUIHNLKDWQGA-UHFFFAOYSA-N 1 2 376.251 2.151 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000372822855 532411977 /nfs/dbraw/zinc/41/19/77/532411977.db2.gz SVVJRAKKAQHNRF-LLVKDONJSA-N 1 2 383.857 2.418 20 0 GEADLO CC1(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCC(F)(F)CC1 ZINC000680271877 532412016 /nfs/dbraw/zinc/41/20/16/532412016.db2.gz BXABKPSUTOJBCB-MRXNPFEDSA-N 1 2 377.501 2.462 20 0 GEADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000372849230 532412329 /nfs/dbraw/zinc/41/23/29/532412329.db2.gz LCYGTMFVXLTMQR-CYBMUJFWSA-N 1 2 398.282 2.071 20 0 GEADLO COc1cc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c(Br)cc1O ZINC000649194774 532414470 /nfs/dbraw/zinc/41/44/70/532414470.db2.gz MQZOCNOKJKIIGV-SNVBAGLBSA-N 1 2 380.242 2.239 20 0 GEADLO CC[C@H](C(=O)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)[NH+](C)C ZINC000372862609 532414634 /nfs/dbraw/zinc/41/46/34/532414634.db2.gz PDRHTUHXKYGCDZ-CHWSQXEVSA-N 1 2 389.315 2.124 20 0 GEADLO CSc1ccc(S(=O)(=O)N(C)c2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000680504436 532414686 /nfs/dbraw/zinc/41/46/86/532414686.db2.gz UVQAWZWNCDUQCT-UHFFFAOYSA-N 1 2 379.507 2.465 20 0 GEADLO CN(C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)C1CC([NH3+])C1 ZINC000517370366 532414756 /nfs/dbraw/zinc/41/47/56/532414756.db2.gz XCZHSDLANJKWHC-UHFFFAOYSA-N 1 2 379.507 2.040 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccccc1Br)[C@@H]1CCn2c[nH+]cc2C1 ZINC000372868811 532415275 /nfs/dbraw/zinc/41/52/75/532415275.db2.gz AFPNKZSHFONGCR-UKRRQHHQSA-N 1 2 392.297 2.175 20 0 GEADLO CC[N@H+](CCNC(=O)c1cccc(CS(C)(=O)=O)c1)CCC(F)(F)F ZINC000427205948 532415322 /nfs/dbraw/zinc/41/53/22/532415322.db2.gz YWFWWIFURZPTJN-UHFFFAOYSA-N 1 2 380.432 2.235 20 0 GEADLO CC[N@@H+](CCNC(=O)c1cccc(CS(C)(=O)=O)c1)CCC(F)(F)F ZINC000427205948 532415331 /nfs/dbraw/zinc/41/53/31/532415331.db2.gz YWFWWIFURZPTJN-UHFFFAOYSA-N 1 2 380.432 2.235 20 0 GEADLO C[C@H](NC(=O)c1c[nH]c2ncc(Br)cc12)[C@H](C)[NH+]1CCOCC1 ZINC000280920854 532415443 /nfs/dbraw/zinc/41/54/43/532415443.db2.gz ODNSVPPUDOWUAV-QWRGUYRKSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)c1ncc(Br)cn1 ZINC000517482708 532418724 /nfs/dbraw/zinc/41/87/24/532418724.db2.gz KQUSXVXCTHKXET-MDZLAQPJSA-N 1 2 398.305 2.294 20 0 GEADLO Cc1nc(N)c(CNC(=O)C2=Cc3cc(Br)ccc3OC2)c[nH+]1 ZINC000560501676 532417683 /nfs/dbraw/zinc/41/76/83/532417683.db2.gz QZTIZSQYHPTIAV-UHFFFAOYSA-N 1 2 375.226 2.222 20 0 GEADLO C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(Br)cn1 ZINC000280946936 532418364 /nfs/dbraw/zinc/41/83/64/532418364.db2.gz RFDVQAGCASBHRI-GFCCVEGCSA-N 1 2 385.306 2.315 20 0 GEADLO C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(Br)cn1 ZINC000280946936 532418375 /nfs/dbraw/zinc/41/83/75/532418375.db2.gz RFDVQAGCASBHRI-GFCCVEGCSA-N 1 2 385.306 2.315 20 0 GEADLO CC1(C)C[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CCN1CCO ZINC000625358006 532421061 /nfs/dbraw/zinc/42/10/61/532421061.db2.gz HWDWZUFETDBPQX-MRXNPFEDSA-N 1 2 396.329 2.091 20 0 GEADLO CC1(C)C[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CCN1CCO ZINC000625358006 532421068 /nfs/dbraw/zinc/42/10/68/532421068.db2.gz HWDWZUFETDBPQX-MRXNPFEDSA-N 1 2 396.329 2.091 20 0 GEADLO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000372935977 532420007 /nfs/dbraw/zinc/42/00/07/532420007.db2.gz UTFFFANEIXOJAN-CABCVRRESA-N 1 2 392.297 2.175 20 0 GEADLO CCN(C(=O)C[N@H+](C)[C@H](C)CSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000649664710 532420339 /nfs/dbraw/zinc/42/03/39/532420339.db2.gz PRBPQUFFHPPZHF-HZPDHXFCSA-N 1 2 384.567 2.135 20 0 GEADLO CCN(C(=O)C[N@@H+](C)[C@H](C)CSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000649664710 532420348 /nfs/dbraw/zinc/42/03/48/532420348.db2.gz PRBPQUFFHPPZHF-HZPDHXFCSA-N 1 2 384.567 2.135 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncnc2c1c(Br)nn2C ZINC000372998571 532423155 /nfs/dbraw/zinc/42/31/55/532423155.db2.gz PPWLZVJFLWWWDQ-UHFFFAOYSA-N 1 2 376.262 2.295 20 0 GEADLO CCN1CCC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1=O ZINC000625363431 532421345 /nfs/dbraw/zinc/42/13/45/532421345.db2.gz YXOHLMCKPWVWCE-OAHLLOKOSA-N 1 2 380.286 2.257 20 0 GEADLO CCN1CCC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1=O ZINC000625363431 532421350 /nfs/dbraw/zinc/42/13/50/532421350.db2.gz YXOHLMCKPWVWCE-OAHLLOKOSA-N 1 2 380.286 2.257 20 0 GEADLO CCOC(=O)c1sc(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)nc1C ZINC000591749592 532422081 /nfs/dbraw/zinc/42/20/81/532422081.db2.gz ZLTCSQVCIDVHBH-UHFFFAOYSA-N 1 2 386.470 2.331 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000517708941 532424476 /nfs/dbraw/zinc/42/44/76/532424476.db2.gz JFOQDTBBDSNGQF-CQSZACIVSA-N 1 2 386.880 2.156 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000517708941 532424478 /nfs/dbraw/zinc/42/44/78/532424478.db2.gz JFOQDTBBDSNGQF-CQSZACIVSA-N 1 2 386.880 2.156 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000591808725 532425081 /nfs/dbraw/zinc/42/50/81/532425081.db2.gz LAKKBEUGNWOFJG-AWEZNQCLSA-N 1 2 378.274 2.086 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000591808725 532425088 /nfs/dbraw/zinc/42/50/88/532425088.db2.gz LAKKBEUGNWOFJG-AWEZNQCLSA-N 1 2 378.274 2.086 20 0 GEADLO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000193531459 532426192 /nfs/dbraw/zinc/42/61/92/532426192.db2.gz RJHDQMNWPGZOQH-UHFFFAOYSA-N 1 2 385.649 2.362 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2cncc(Br)c2)CC1(C)C ZINC000295251134 532425705 /nfs/dbraw/zinc/42/57/05/532425705.db2.gz KMZLTFRMDOCETA-LBPRGKRZSA-N 1 2 385.287 2.349 20 0 GEADLO O=C1NC[C@@]2(CCC[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)O1 ZINC000373028137 532426584 /nfs/dbraw/zinc/42/65/84/532426584.db2.gz KXDLKNADNUNTNQ-RHSMWYFYSA-N 1 2 394.269 2.129 20 0 GEADLO O=C1NC[C@@]2(CCC[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)O1 ZINC000373028137 532426585 /nfs/dbraw/zinc/42/65/85/532426585.db2.gz KXDLKNADNUNTNQ-RHSMWYFYSA-N 1 2 394.269 2.129 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)CN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000592002925 532432171 /nfs/dbraw/zinc/43/21/71/532432171.db2.gz OIUBAFWNHAJWBL-NXEZZACHSA-N 1 2 383.217 2.497 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCc2c(Br)cccc2C1 ZINC000517914789 532429912 /nfs/dbraw/zinc/42/99/12/532429912.db2.gz PTFPMKOZUUDKEI-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCc2c(Br)cccc2C1 ZINC000517914789 532429916 /nfs/dbraw/zinc/42/99/16/532429916.db2.gz PTFPMKOZUUDKEI-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO COCCOCC[NH+]1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000649895921 532429952 /nfs/dbraw/zinc/42/99/52/532429952.db2.gz AXQCILNMBSYECD-UHFFFAOYSA-N 1 2 397.317 2.106 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295330393 532435520 /nfs/dbraw/zinc/43/55/20/532435520.db2.gz HITYKRWCFLPZAE-NEPJUHHUSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295330393 532435525 /nfs/dbraw/zinc/43/55/25/532435525.db2.gz HITYKRWCFLPZAE-NEPJUHHUSA-N 1 2 376.266 2.359 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2CCC[C@@H]21)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000681711625 532436643 /nfs/dbraw/zinc/43/66/43/532436643.db2.gz FRLSQTOEDDAUDC-UXLLHSPISA-N 1 2 382.551 2.138 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000681711625 532436650 /nfs/dbraw/zinc/43/66/50/532436650.db2.gz FRLSQTOEDDAUDC-UXLLHSPISA-N 1 2 382.551 2.138 20 0 GEADLO C[C@H](c1ccccc1Br)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000466732620 532432908 /nfs/dbraw/zinc/43/29/08/532432908.db2.gz HLTUJGKWUDSJII-CYBMUJFWSA-N 1 2 377.286 2.426 20 0 GEADLO Cc1csc([C@H](C)NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000561221340 532432964 /nfs/dbraw/zinc/43/29/64/532432964.db2.gz SAGVKFMMEZLDDI-ZDUSSCGKSA-N 1 2 378.523 2.035 20 0 GEADLO Cc1cc(Cl)cnc1NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000518028047 532433985 /nfs/dbraw/zinc/43/39/85/532433985.db2.gz ZLWYQJMZWXEVJG-UHFFFAOYSA-N 1 2 378.885 2.388 20 0 GEADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000373135531 532434236 /nfs/dbraw/zinc/43/42/36/532434236.db2.gz KQDJLVMCINJEMG-LBPRGKRZSA-N 1 2 393.285 2.307 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1cc(F)ccc1Br ZINC000466770137 532434573 /nfs/dbraw/zinc/43/45/73/532434573.db2.gz XUTGXNUTSYDQFT-UHFFFAOYSA-N 1 2 381.205 2.150 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)Cc3ccc(F)c(Br)c3)CC2)cn1 ZINC000592062960 532438371 /nfs/dbraw/zinc/43/83/71/532438371.db2.gz MNZHASBIJYHIMB-UHFFFAOYSA-N 1 2 395.276 2.209 20 0 GEADLO O=S(=O)(NCCCn1cc[nH+]c1)c1cnc(Cl)c(Br)c1 ZINC000295368506 532438755 /nfs/dbraw/zinc/43/87/55/532438755.db2.gz SDNJTTAUWHODMJ-UHFFFAOYSA-N 1 2 379.667 2.063 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000592208791 532440463 /nfs/dbraw/zinc/44/04/63/532440463.db2.gz PIYXMHMFZUMIEN-JQWIXIFHSA-N 1 2 392.677 2.337 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000592208791 532440470 /nfs/dbraw/zinc/44/04/70/532440470.db2.gz PIYXMHMFZUMIEN-JQWIXIFHSA-N 1 2 392.677 2.337 20 0 GEADLO Cc1nc(C)n(C[C@H]2C[N@H+](CCOc3cccc(Br)c3)CCO2)n1 ZINC000592254681 532443865 /nfs/dbraw/zinc/44/38/65/532443865.db2.gz KVSRNTMXOSKSBX-QGZVFWFLSA-N 1 2 395.301 2.437 20 0 GEADLO Cc1nc(C)n(C[C@H]2C[N@@H+](CCOc3cccc(Br)c3)CCO2)n1 ZINC000592254681 532443870 /nfs/dbraw/zinc/44/38/70/532443870.db2.gz KVSRNTMXOSKSBX-QGZVFWFLSA-N 1 2 395.301 2.437 20 0 GEADLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000518834050 532447835 /nfs/dbraw/zinc/44/78/35/532447835.db2.gz KVAJMHLJSJAMFZ-UHFFFAOYSA-N 1 2 375.372 2.351 20 0 GEADLO C[N@@H+](CC(=O)NCc1cccnc1)C[C@H](O)c1ccccc1Br ZINC000295462441 532448683 /nfs/dbraw/zinc/44/86/83/532448683.db2.gz YFRMKIILMVIHGC-INIZCTEOSA-N 1 2 378.270 2.126 20 0 GEADLO C[N@H+](CC(=O)NCc1cccnc1)C[C@H](O)c1ccccc1Br ZINC000295462441 532448686 /nfs/dbraw/zinc/44/86/86/532448686.db2.gz YFRMKIILMVIHGC-INIZCTEOSA-N 1 2 378.270 2.126 20 0 GEADLO O=S(=O)(C1CC[NH+](Cc2ccc(Br)cn2)CC1)N1CCCC1 ZINC000282159057 532446120 /nfs/dbraw/zinc/44/61/20/532446120.db2.gz LNZLHEJKYFLIFP-UHFFFAOYSA-N 1 2 388.331 2.234 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1cccnc1-n1cc(Br)cn1 ZINC000295467328 532449775 /nfs/dbraw/zinc/44/97/75/532449775.db2.gz OTAYNAXILFNOPF-UHFFFAOYSA-N 1 2 389.257 2.389 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1([S@](C)=O)CC1)c1ccc(Cl)cc1 ZINC000282322318 532456933 /nfs/dbraw/zinc/45/69/33/532456933.db2.gz SLEZSYIPGQCOCS-PWECECGKSA-N 1 2 380.901 2.373 20 0 GEADLO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1 ZINC000428633792 532456992 /nfs/dbraw/zinc/45/69/92/532456992.db2.gz XKOPYXYVKZWJRB-CYBMUJFWSA-N 1 2 379.507 2.360 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cnc2ccsc2c1)C(C)(C)CO ZINC000295498952 532453477 /nfs/dbraw/zinc/45/34/77/532453477.db2.gz BJYAZWKELPIWBI-CQSZACIVSA-N 1 2 380.495 2.068 20 0 GEADLO O=C(N[C@H](CO)CCF)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000650865136 532456111 /nfs/dbraw/zinc/45/61/11/532456111.db2.gz ZNQPJPHUCDEENK-GJZGRUSLSA-N 1 2 375.847 2.463 20 0 GEADLO O=C(N[C@H](CO)CCF)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000650865136 532456120 /nfs/dbraw/zinc/45/61/20/532456120.db2.gz ZNQPJPHUCDEENK-GJZGRUSLSA-N 1 2 375.847 2.463 20 0 GEADLO CC1(CNC(=O)c2csc(S(C)(=O)=O)c2)C[NH+](Cc2ccccc2)C1 ZINC000373587490 532459301 /nfs/dbraw/zinc/45/93/01/532459301.db2.gz GHQYCQRFASJYGV-UHFFFAOYSA-N 1 2 378.519 2.404 20 0 GEADLO CCOC(=O)[C@H](NC(=O)Cn1cc[nH+]c1)c1ccc(OC)c(Br)c1 ZINC000562280198 532460908 /nfs/dbraw/zinc/46/09/08/532460908.db2.gz BNCAXIOMVDPIRW-OAHLLOKOSA-N 1 2 396.241 2.075 20 0 GEADLO COC(=O)C12CC(C(=O)NCc3cn4cc(Br)cc(C)c4[nH+]3)(C1)C2 ZINC000592790225 532465091 /nfs/dbraw/zinc/46/50/91/532465091.db2.gz JNFNBNGUZRNOAN-UHFFFAOYSA-N 1 2 392.253 2.365 20 0 GEADLO COC(=O)[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)[C@H]1C ZINC000468528359 532467305 /nfs/dbraw/zinc/46/73/05/532467305.db2.gz MLYINUVVSBASTO-GXFFZTMASA-N 1 2 395.257 2.190 20 0 GEADLO O=C(CCNS(=O)(=O)c1cccs1)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000683892150 532467152 /nfs/dbraw/zinc/46/71/52/532467152.db2.gz JCRUHOKKACBHRZ-UHFFFAOYSA-N 1 2 376.463 2.445 20 0 GEADLO CO[C@@H](C)CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000195243149 532473417 /nfs/dbraw/zinc/47/34/17/532473417.db2.gz IBRZNRGJXNXEPH-SWLSCSKDSA-N 1 2 378.897 2.398 20 0 GEADLO CO[C@@H](C)CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000195243149 532473418 /nfs/dbraw/zinc/47/34/18/532473418.db2.gz IBRZNRGJXNXEPH-SWLSCSKDSA-N 1 2 378.897 2.398 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc2ncsc2c1)C(C)(C)CO ZINC000295717945 532470381 /nfs/dbraw/zinc/47/03/81/532470381.db2.gz LKZXBLSFADGIDB-CQSZACIVSA-N 1 2 380.495 2.068 20 0 GEADLO C[N@H+](CC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)Cc1ccccc1 ZINC000429337934 532473749 /nfs/dbraw/zinc/47/37/49/532473749.db2.gz JVZXNCBMWRCXPU-UHFFFAOYSA-N 1 2 380.897 2.492 20 0 GEADLO C[N@@H+](CC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)Cc1ccccc1 ZINC000429337934 532473751 /nfs/dbraw/zinc/47/37/51/532473751.db2.gz JVZXNCBMWRCXPU-UHFFFAOYSA-N 1 2 380.897 2.492 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000593149231 532471006 /nfs/dbraw/zinc/47/10/06/532471006.db2.gz ZCIWKUOIOBSMRB-CVEARBPZSA-N 1 2 384.307 2.377 20 0 GEADLO CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](NC(=O)NC)C2)cc1OC ZINC000468693898 532471278 /nfs/dbraw/zinc/47/12/78/532471278.db2.gz MMMUBELREIEGBA-GFCCVEGCSA-N 1 2 386.290 2.360 20 0 GEADLO CCOc1c(Br)cc(C[N@H+]2CC[C@@H](NC(=O)NC)C2)cc1OC ZINC000468693898 532471286 /nfs/dbraw/zinc/47/12/86/532471286.db2.gz MMMUBELREIEGBA-GFCCVEGCSA-N 1 2 386.290 2.360 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCSC2(CCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000562705847 532477966 /nfs/dbraw/zinc/47/79/66/532477966.db2.gz SJFSBPINTJWHLD-HOTGVXAUSA-N 1 2 388.599 2.162 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCSC2(CCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000562705847 532477970 /nfs/dbraw/zinc/47/79/70/532477970.db2.gz SJFSBPINTJWHLD-HOTGVXAUSA-N 1 2 388.599 2.162 20 0 GEADLO CN(CCc1cccs1)C(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000562775828 532482611 /nfs/dbraw/zinc/48/26/11/532482611.db2.gz HIMDAVCOCPHEET-UHFFFAOYSA-N 1 2 376.869 2.367 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Cc2cc[nH]c(=O)c2Br)CC1(C)C ZINC000295877408 532483480 /nfs/dbraw/zinc/48/34/80/532483480.db2.gz LVJSIEVVPSNSQA-ZDUSSCGKSA-N 1 2 379.258 2.435 20 0 GEADLO O=C(CCNC(=O)Nc1ccc(Br)cc1)NCCc1[nH]cc[nH+]1 ZINC000468988294 532484924 /nfs/dbraw/zinc/48/49/24/532484924.db2.gz LCZYDYYYSBDFEU-UHFFFAOYSA-N 1 2 380.246 2.043 20 0 GEADLO CCC[N@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccccc1Br ZINC000520171467 532485617 /nfs/dbraw/zinc/48/56/17/532485617.db2.gz LTHPUKIKWMALGE-UHFFFAOYSA-N 1 2 396.329 2.400 20 0 GEADLO CCC[N@@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccccc1Br ZINC000520171467 532485624 /nfs/dbraw/zinc/48/56/24/532485624.db2.gz LTHPUKIKWMALGE-UHFFFAOYSA-N 1 2 396.329 2.400 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1N(C(=O)CNC(=O)c2ccc(Br)o2)CC1(C)C ZINC000295909991 532486864 /nfs/dbraw/zinc/48/68/64/532486864.db2.gz NYGORNDRQYHZLU-ZDUSSCGKSA-N 1 2 395.257 2.115 20 0 GEADLO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCSC[C@H]2c2cccs2)cc1 ZINC000374112857 532490872 /nfs/dbraw/zinc/49/08/72/532490872.db2.gz XRATVRXIJHIIND-AWEZNQCLSA-N 1 2 397.547 2.124 20 0 GEADLO NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCSC[C@H]2c2cccs2)cc1 ZINC000374112857 532490876 /nfs/dbraw/zinc/49/08/76/532490876.db2.gz XRATVRXIJHIIND-AWEZNQCLSA-N 1 2 397.547 2.124 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1cccc(Br)c1 ZINC000629438113 532491087 /nfs/dbraw/zinc/49/10/87/532491087.db2.gz CRRBLJVBOWULRF-QGZVFWFLSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1cccc(Br)c1 ZINC000629438113 532491091 /nfs/dbraw/zinc/49/10/91/532491091.db2.gz CRRBLJVBOWULRF-QGZVFWFLSA-N 1 2 390.281 2.475 20 0 GEADLO CNC(=O)[C@@]1(C)CC[N@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000430265136 532494633 /nfs/dbraw/zinc/49/46/33/532494633.db2.gz YUIOTIYYGHDMTI-HNNXBMFYSA-N 1 2 379.309 2.225 20 0 GEADLO CNC(=O)[C@@]1(C)CC[N@@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000430265136 532494638 /nfs/dbraw/zinc/49/46/38/532494638.db2.gz YUIOTIYYGHDMTI-HNNXBMFYSA-N 1 2 379.309 2.225 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)C(C)(C)CO ZINC000295783977 532475264 /nfs/dbraw/zinc/47/52/64/532475264.db2.gz QZUIRVCIHKDARZ-NSHDSACASA-N 1 2 393.296 2.160 20 0 GEADLO COC(=O)c1ccccc1CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000593216168 532476078 /nfs/dbraw/zinc/47/60/78/532476078.db2.gz WKIPCUKGFSLXHT-UHFFFAOYSA-N 1 2 376.356 2.347 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000296191227 532504607 /nfs/dbraw/zinc/50/46/07/532504607.db2.gz YLLWVYJDEQEEQQ-HNNXBMFYSA-N 1 2 386.945 2.433 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000296191227 532504611 /nfs/dbraw/zinc/50/46/11/532504611.db2.gz YLLWVYJDEQEEQQ-HNNXBMFYSA-N 1 2 386.945 2.433 20 0 GEADLO C[NH2+]C1(CNC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CCC1 ZINC000629999960 532505794 /nfs/dbraw/zinc/50/57/94/532505794.db2.gz TZMLYNYDOGDAAY-UHFFFAOYSA-N 1 2 379.507 2.421 20 0 GEADLO Cc1cc(Br)cc(C)c1CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000521169556 532507394 /nfs/dbraw/zinc/50/73/94/532507394.db2.gz VTGGFDCBFHNAAH-HNNXBMFYSA-N 1 2 383.334 2.111 20 0 GEADLO Cc1cc(Br)cc(C)c1CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000521169556 532507404 /nfs/dbraw/zinc/50/74/04/532507404.db2.gz VTGGFDCBFHNAAH-HNNXBMFYSA-N 1 2 383.334 2.111 20 0 GEADLO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1 ZINC000594475773 532508982 /nfs/dbraw/zinc/50/89/82/532508982.db2.gz SXIMFYXWEZQCOL-UHFFFAOYSA-N 1 2 390.527 2.038 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000296262868 532509585 /nfs/dbraw/zinc/50/95/85/532509585.db2.gz LXLXUVFMPMRLOU-MRXNPFEDSA-N 1 2 375.252 2.443 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000296262868 532509589 /nfs/dbraw/zinc/50/95/89/532509589.db2.gz LXLXUVFMPMRLOU-MRXNPFEDSA-N 1 2 375.252 2.443 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000296274505 532510435 /nfs/dbraw/zinc/51/04/35/532510435.db2.gz IQCCVRZPGJAJPP-CYBMUJFWSA-N 1 2 384.889 2.088 20 0 GEADLO CC1(C)NC(=O)N(CCC[N@@H+]2CCOc3ccc(Br)cc3C2)C1=O ZINC000521277479 532510807 /nfs/dbraw/zinc/51/08/07/532510807.db2.gz UAHYDJKHSAZUPM-UHFFFAOYSA-N 1 2 396.285 2.364 20 0 GEADLO CC1(C)NC(=O)N(CCC[N@H+]2CCOc3ccc(Br)cc3C2)C1=O ZINC000521277479 532510813 /nfs/dbraw/zinc/51/08/13/532510813.db2.gz UAHYDJKHSAZUPM-UHFFFAOYSA-N 1 2 396.285 2.364 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)c1ccc(Cl)cc1 ZINC000283005418 532512919 /nfs/dbraw/zinc/51/29/19/532512919.db2.gz RMVDHFDNPCCKHM-JKSUJKDBSA-N 1 2 384.929 2.274 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)c1cc(Br)c3c(c1)OCCO3)CC2 ZINC000374691630 532515039 /nfs/dbraw/zinc/51/50/39/532515039.db2.gz DIIFIKPZPFQNFL-UHFFFAOYSA-N 1 2 378.226 2.381 20 0 GEADLO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)CCC)cc1 ZINC000564096829 532517659 /nfs/dbraw/zinc/51/76/59/532517659.db2.gz CVQYVLITOOVVOH-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)CCC)cc1 ZINC000564096829 532517667 /nfs/dbraw/zinc/51/76/67/532517667.db2.gz CVQYVLITOOVVOH-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3C[C@H](O)C3(C)C)[nH+]c12 ZINC000430327853 532497721 /nfs/dbraw/zinc/49/77/21/532497721.db2.gz XVNIJBMXJXXZTQ-KGLIPLIRSA-N 1 2 395.301 2.406 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1Cl ZINC000374367899 532498234 /nfs/dbraw/zinc/49/82/34/532498234.db2.gz SHBVLORITNDKQK-LLVKDONJSA-N 1 2 383.857 2.038 20 0 GEADLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cnn1C ZINC000651874112 532500474 /nfs/dbraw/zinc/50/04/74/532500474.db2.gz LDTRVFGHCUAONG-AWEZNQCLSA-N 1 2 379.873 2.069 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000296397830 532518737 /nfs/dbraw/zinc/51/87/37/532518737.db2.gz SYBCBOYDPWYILR-SJKOYZFVSA-N 1 2 399.285 2.288 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000296397830 532518742 /nfs/dbraw/zinc/51/87/42/532518742.db2.gz SYBCBOYDPWYILR-SJKOYZFVSA-N 1 2 399.285 2.288 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ncc(Br)s2)cn1 ZINC000652013611 532501119 /nfs/dbraw/zinc/50/11/19/532501119.db2.gz IZORDWUKLLNONA-UHFFFAOYSA-N 1 2 395.286 2.178 20 0 GEADLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NCc3ncc(C)s3)c2)CC1 ZINC000296721207 532536215 /nfs/dbraw/zinc/53/62/15/532536215.db2.gz JEXVFAJGXZPEFQ-UHFFFAOYSA-N 1 2 380.539 2.390 20 0 GEADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCc1ccc(S(C)(=O)=O)s1)CCC2 ZINC000526046924 532537740 /nfs/dbraw/zinc/53/77/40/532537740.db2.gz KLWSCYJTAHOTQM-GFCCVEGCSA-N 1 2 382.511 2.033 20 0 GEADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(F)cc2Br)n1C ZINC000283574315 532545439 /nfs/dbraw/zinc/54/54/39/532545439.db2.gz RNFFRJUOLXXHHX-UHFFFAOYSA-N 1 2 398.280 2.152 20 0 GEADLO O=C(NCc1ccccc1Br)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000283431999 532538644 /nfs/dbraw/zinc/53/86/44/532538644.db2.gz BPFVCMSHJPWNNF-CYBMUJFWSA-N 1 2 391.269 2.195 20 0 GEADLO C[C@@H]1OCC[C@]12C[N@@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)CCO2 ZINC000470932105 532538817 /nfs/dbraw/zinc/53/88/17/532538817.db2.gz NSHFSSSCIWBUSH-OWQGQXMQSA-N 1 2 395.297 2.434 20 0 GEADLO C[C@@H]1OCC[C@]12C[N@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)CCO2 ZINC000470932105 532538824 /nfs/dbraw/zinc/53/88/24/532538824.db2.gz NSHFSSSCIWBUSH-OWQGQXMQSA-N 1 2 395.297 2.434 20 0 GEADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000470939847 532539321 /nfs/dbraw/zinc/53/93/21/532539321.db2.gz ISAJYKZIGACKPT-WCBMZHEXSA-N 1 2 399.822 2.199 20 0 GEADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000470939847 532539325 /nfs/dbraw/zinc/53/93/25/532539325.db2.gz ISAJYKZIGACKPT-WCBMZHEXSA-N 1 2 399.822 2.199 20 0 GEADLO CCC[C@H]1C[NH2+]CCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000564951295 532539869 /nfs/dbraw/zinc/53/98/69/532539869.db2.gz WABMMLYWGAKJSR-NSHDSACASA-N 1 2 398.248 2.382 20 0 GEADLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)nn1 ZINC000653694646 532540184 /nfs/dbraw/zinc/54/01/84/532540184.db2.gz MBUNYEHIGCAMFM-ZDUSSCGKSA-N 1 2 381.420 2.207 20 0 GEADLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC(F)(F)F)nn1 ZINC000653694646 532540188 /nfs/dbraw/zinc/54/01/88/532540188.db2.gz MBUNYEHIGCAMFM-ZDUSSCGKSA-N 1 2 381.420 2.207 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)cc1Br ZINC000526104715 532540733 /nfs/dbraw/zinc/54/07/33/532540733.db2.gz HYFQOJMWSPZUNK-UHFFFAOYSA-N 1 2 379.258 2.397 20 0 GEADLO CSC[C@@H]1CCC[N@@H+]1CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000246567394 532541031 /nfs/dbraw/zinc/54/10/31/532541031.db2.gz BQNIPXKLHZPJDB-IRXDYDNUSA-N 1 2 388.599 2.162 20 0 GEADLO CSC[C@@H]1CCC[N@H+]1CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000246567394 532541036 /nfs/dbraw/zinc/54/10/36/532541036.db2.gz BQNIPXKLHZPJDB-IRXDYDNUSA-N 1 2 388.599 2.162 20 0 GEADLO Cn1cc(N2CC[C@H]([NH2+]Cc3ncc(Br)cc3Cl)C2=O)cn1 ZINC000631076214 532541548 /nfs/dbraw/zinc/54/15/48/532541548.db2.gz XAHXDGLDBQYXGM-LBPRGKRZSA-N 1 2 384.665 2.126 20 0 GEADLO O=S(=O)(NC[C@@H]1CC[NH2+]CC1(F)F)c1cccc2c(Cl)ccnc21 ZINC000564967354 532541530 /nfs/dbraw/zinc/54/15/30/532541530.db2.gz XRUSCLLHSPREKK-JTQLQIEISA-N 1 2 375.828 2.411 20 0 GEADLO C[C@H](c1nnc(-c2cccc(F)c2)s1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000374876861 532521414 /nfs/dbraw/zinc/52/14/14/532521414.db2.gz NKPZZRYYAODPRQ-NEPJUHHUSA-N 1 2 384.502 2.406 20 0 GEADLO C[C@H](c1nnc(-c2cccc(F)c2)s1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000374876861 532521421 /nfs/dbraw/zinc/52/14/21/532521421.db2.gz NKPZZRYYAODPRQ-NEPJUHHUSA-N 1 2 384.502 2.406 20 0 GEADLO O=C(NC[C@@H](O)c1cccc(Br)c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000283158527 532522150 /nfs/dbraw/zinc/52/21/50/532522150.db2.gz IKOGFYSPBQPIRT-IAGOWNOFSA-N 1 2 397.313 2.242 20 0 GEADLO O=C(NC[C@@H](O)c1cccc(Br)c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000283158527 532522151 /nfs/dbraw/zinc/52/21/51/532522151.db2.gz IKOGFYSPBQPIRT-IAGOWNOFSA-N 1 2 397.313 2.242 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000296472824 532522633 /nfs/dbraw/zinc/52/26/33/532522633.db2.gz JPZSYVMVNJJMAW-UHFFFAOYSA-N 1 2 375.479 2.490 20 0 GEADLO CCCS(=O)(=O)CC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245732558 532522649 /nfs/dbraw/zinc/52/26/49/532522649.db2.gz UBYPTTLFEJSCNL-GUYCJALGSA-N 1 2 390.908 2.413 20 0 GEADLO CCCS(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245732558 532522655 /nfs/dbraw/zinc/52/26/55/532522655.db2.gz UBYPTTLFEJSCNL-GUYCJALGSA-N 1 2 390.908 2.413 20 0 GEADLO CN(C)c1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cn1 ZINC000470236598 532523907 /nfs/dbraw/zinc/52/39/07/532523907.db2.gz HJIHOXKZLLZPIJ-MRXNPFEDSA-N 1 2 382.917 2.382 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC3CCCCC3)[nH+]c12 ZINC000283274530 532528853 /nfs/dbraw/zinc/52/88/53/532528853.db2.gz NORMVXQUIYQQAN-UHFFFAOYSA-N 1 2 393.285 2.470 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F)c1ccc(Br)cc1 ZINC000246010664 532529571 /nfs/dbraw/zinc/52/95/71/532529571.db2.gz KHHPDNUAXGIVNC-BXKDBHETSA-N 1 2 383.208 2.481 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F)c1ccc(Br)cc1 ZINC000246010664 532529573 /nfs/dbraw/zinc/52/95/73/532529573.db2.gz KHHPDNUAXGIVNC-BXKDBHETSA-N 1 2 383.208 2.481 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246077751 532531114 /nfs/dbraw/zinc/53/11/14/532531114.db2.gz BWRHJAIHIQIGCI-KCXAZCMYSA-N 1 2 376.881 2.323 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246077751 532531118 /nfs/dbraw/zinc/53/11/18/532531118.db2.gz BWRHJAIHIQIGCI-KCXAZCMYSA-N 1 2 376.881 2.323 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000375618933 532569678 /nfs/dbraw/zinc/56/96/78/532569678.db2.gz QITONZNVZHNGHO-IUODEOHRSA-N 1 2 376.881 2.104 20 0 GEADLO Clc1cccc(-n2cc(C[NH2+]C3CN(c4ccncn4)C3)nn2)c1Cl ZINC000631257054 532551686 /nfs/dbraw/zinc/55/16/86/532551686.db2.gz MORNCQZGZOQTLS-UHFFFAOYSA-N 1 2 376.251 2.343 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000565183155 532551719 /nfs/dbraw/zinc/55/17/19/532551719.db2.gz UKWKKJYXVWJQRO-LBPRGKRZSA-N 1 2 378.274 2.095 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000565183155 532551725 /nfs/dbraw/zinc/55/17/25/532551725.db2.gz UKWKKJYXVWJQRO-LBPRGKRZSA-N 1 2 378.274 2.095 20 0 GEADLO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ncc(Br)cn1 ZINC000432994805 532552392 /nfs/dbraw/zinc/55/23/92/532552392.db2.gz PIALYPDDJJEUEA-LLVKDONJSA-N 1 2 399.314 2.340 20 0 GEADLO COC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000432998909 532552673 /nfs/dbraw/zinc/55/26/73/532552673.db2.gz JZFHRNAUVKQNAP-JTQLQIEISA-N 1 2 393.241 2.315 20 0 GEADLO CCn1nncc1C[NH2+]Cc1c(F)ccc(I)c1F ZINC000527731210 532553813 /nfs/dbraw/zinc/55/38/13/532553813.db2.gz WOQDUWYOAMFVQQ-UHFFFAOYSA-N 1 2 378.164 2.471 20 0 GEADLO CCN1CCN(C(=O)COc2ccccc2Br)C[C@H]1c1[nH]cc[nH+]1 ZINC000433004294 532554046 /nfs/dbraw/zinc/55/40/46/532554046.db2.gz XUSQLFKXRKDUJJ-AWEZNQCLSA-N 1 2 393.285 2.456 20 0 GEADLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1CCCS(=O)(=O)C1)C(=O)OC(C)(C)C ZINC000375398144 532554206 /nfs/dbraw/zinc/55/42/06/532554206.db2.gz UESFTPZBRJRJER-ILXRZTDVSA-N 1 2 378.510 2.091 20 0 GEADLO CN(C[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1CCCS(=O)(=O)C1)C(=O)OC(C)(C)C ZINC000375398144 532554212 /nfs/dbraw/zinc/55/42/12/532554212.db2.gz UESFTPZBRJRJER-ILXRZTDVSA-N 1 2 378.510 2.091 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1O ZINC000375403529 532554746 /nfs/dbraw/zinc/55/47/46/532554746.db2.gz VQORHZXVTZMFJJ-RKDXNWHRSA-N 1 2 397.191 2.259 20 0 GEADLO COc1cc(Br)c(C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1O ZINC000375403529 532554751 /nfs/dbraw/zinc/55/47/51/532554751.db2.gz VQORHZXVTZMFJJ-RKDXNWHRSA-N 1 2 397.191 2.259 20 0 GEADLO Cc1cc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)sn1 ZINC000631686607 532556364 /nfs/dbraw/zinc/55/63/64/532556364.db2.gz NCCBJZXNLDSMAL-UHFFFAOYSA-N 1 2 381.527 2.184 20 0 GEADLO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000471738420 532556677 /nfs/dbraw/zinc/55/66/77/532556677.db2.gz RLNKYZOJVJURGS-NFAWXSAZSA-N 1 2 381.464 2.177 20 0 GEADLO CC(C)OC[C@@H](CO)[N@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000433183218 532557073 /nfs/dbraw/zinc/55/70/73/532557073.db2.gz QPWVCAJCVFGHIE-LLVKDONJSA-N 1 2 395.244 2.384 20 0 GEADLO CC(C)OC[C@@H](CO)[N@@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000433183218 532557077 /nfs/dbraw/zinc/55/70/77/532557077.db2.gz QPWVCAJCVFGHIE-LLVKDONJSA-N 1 2 395.244 2.384 20 0 GEADLO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CC2N=NC(=O)S2)C1 ZINC000375471377 532559234 /nfs/dbraw/zinc/55/92/34/532559234.db2.gz SUXOWKAGFSIBDK-VIFPVBQESA-N 1 2 398.286 2.252 20 0 GEADLO CC1(C)C[N@H+](CCNS(C)(=O)=O)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433291842 532561105 /nfs/dbraw/zinc/56/11/05/532561105.db2.gz XNWUQWSRFVHBJA-CQSZACIVSA-N 1 2 380.432 2.407 20 0 GEADLO CC1(C)C[N@@H+](CCNS(C)(=O)=O)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433291842 532561108 /nfs/dbraw/zinc/56/11/08/532561108.db2.gz XNWUQWSRFVHBJA-CQSZACIVSA-N 1 2 380.432 2.407 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000528406200 532564291 /nfs/dbraw/zinc/56/42/91/532564291.db2.gz HTKUORDFAMBZGZ-PHIMTYICSA-N 1 2 382.404 2.307 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000528406200 532564300 /nfs/dbraw/zinc/56/43/00/532564300.db2.gz HTKUORDFAMBZGZ-PHIMTYICSA-N 1 2 382.404 2.307 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000297074905 532564664 /nfs/dbraw/zinc/56/46/64/532564664.db2.gz LRLXDCMBGWXZMX-WFASDCNBSA-N 1 2 381.274 2.409 20 0 GEADLO COC(=O)CCN1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2Br)C1=O ZINC000595455333 532565172 /nfs/dbraw/zinc/56/51/72/532565172.db2.gz SEQYYKJCVSIVMD-HNNXBMFYSA-N 1 2 399.285 2.054 20 0 GEADLO COC(=O)CCN1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2Br)C1=O ZINC000595455333 532565181 /nfs/dbraw/zinc/56/51/81/532565181.db2.gz SEQYYKJCVSIVMD-HNNXBMFYSA-N 1 2 399.285 2.054 20 0 GEADLO COC(=O)[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000527128345 532545922 /nfs/dbraw/zinc/54/59/22/532545922.db2.gz BRWKEDRHGGFHMI-JSGCOSHPSA-N 1 2 378.238 2.115 20 0 GEADLO Cc1sc(C(=O)NCc2cn3c(cccc3C)[nH+]2)cc1CS(C)(=O)=O ZINC000471271783 532546890 /nfs/dbraw/zinc/54/68/90/532546890.db2.gz FOBASOYEOPOURL-UHFFFAOYSA-N 1 2 377.491 2.487 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000296848043 532547942 /nfs/dbraw/zinc/54/79/42/532547942.db2.gz SYAXULPAJNQAMY-RISCZKNCSA-N 1 2 375.238 2.394 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000296848043 532547945 /nfs/dbraw/zinc/54/79/45/532547945.db2.gz SYAXULPAJNQAMY-RISCZKNCSA-N 1 2 375.238 2.394 20 0 GEADLO CNC(=O)[C@H]1CN(c2cc(C)[nH+]c(-c3ccc(Br)cc3)n2)CCO1 ZINC000631202829 532548007 /nfs/dbraw/zinc/54/80/07/532548007.db2.gz DWXRMCQQDQWQRI-CQSZACIVSA-N 1 2 391.269 2.166 20 0 GEADLO CCCN(C(=O)[C@H](C)[NH2+][C@H](C)c1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000247372595 532548335 /nfs/dbraw/zinc/54/83/35/532548335.db2.gz FGHPOZMEJQCTHQ-HZSPNIEDSA-N 1 2 387.571 2.170 20 0 GEADLO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000433889754 532584425 /nfs/dbraw/zinc/58/44/25/532584425.db2.gz ZDYPZUSVGDHGLD-UHFFFAOYSA-N 1 2 395.257 2.225 20 0 GEADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3C[C@]3(C)Br)CC2)c1 ZINC000528842802 532584722 /nfs/dbraw/zinc/58/47/22/532584722.db2.gz DZENQSGQBBLTDY-WMZOPIPTSA-N 1 2 397.313 2.392 20 0 GEADLO COC(=O)Cc1cc[nH+]c(N2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000596076647 532585581 /nfs/dbraw/zinc/58/55/81/532585581.db2.gz NMJGXLUPZZLHPI-UHFFFAOYSA-N 1 2 391.269 2.281 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000375910219 532585868 /nfs/dbraw/zinc/58/58/68/532585868.db2.gz QUTYBIHUDBLATP-CQSZACIVSA-N 1 2 377.242 2.040 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(Br)s1 ZINC000434094344 532587287 /nfs/dbraw/zinc/58/72/87/532587287.db2.gz VHSMDUDVNBTYNO-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000284335275 532587615 /nfs/dbraw/zinc/58/76/15/532587615.db2.gz BUKLAZSQVRPOQB-NWDGAFQWSA-N 1 2 399.314 2.466 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000284335275 532587624 /nfs/dbraw/zinc/58/76/24/532587624.db2.gz BUKLAZSQVRPOQB-NWDGAFQWSA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@@H]2CC[N@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000284335275 532587631 /nfs/dbraw/zinc/58/76/31/532587631.db2.gz BUKLAZSQVRPOQB-NWDGAFQWSA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@@H]2CC[N@@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000284335275 532587636 /nfs/dbraw/zinc/58/76/36/532587636.db2.gz BUKLAZSQVRPOQB-NWDGAFQWSA-N 1 2 399.314 2.466 20 0 GEADLO CCN(CCS(C)(=O)=O)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000297560135 532595659 /nfs/dbraw/zinc/59/56/59/532595659.db2.gz RVBQRGMFQGMABA-INIZCTEOSA-N 1 2 387.571 2.087 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1sccc1Br ZINC000434099077 532587824 /nfs/dbraw/zinc/58/78/24/532587824.db2.gz WDHOJZZOHAHPCJ-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO C[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)c1ccc(Br)cn1 ZINC000284346041 532588428 /nfs/dbraw/zinc/58/84/28/532588428.db2.gz XYCSFNDCCMODIZ-NILFDRSVSA-N 1 2 383.290 2.020 20 0 GEADLO C[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccc(Br)cn1 ZINC000284346041 532588431 /nfs/dbraw/zinc/58/84/31/532588431.db2.gz XYCSFNDCCMODIZ-NILFDRSVSA-N 1 2 383.290 2.020 20 0 GEADLO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000566012214 532589077 /nfs/dbraw/zinc/58/90/77/532589077.db2.gz VJIYVLDPXHEXQV-NHYWBVRUSA-N 1 2 382.233 2.197 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc(Br)o4)o3)C2)o1 ZINC000284446415 532593051 /nfs/dbraw/zinc/59/30/51/532593051.db2.gz ZSNVAKFLCCUKNE-QMMMGPOBSA-N 1 2 396.201 2.148 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3nnc(-c4ccc(Br)o4)o3)C2)o1 ZINC000284446415 532593057 /nfs/dbraw/zinc/59/30/57/532593057.db2.gz ZSNVAKFLCCUKNE-QMMMGPOBSA-N 1 2 396.201 2.148 20 0 GEADLO O=S1(=O)CC[C@H](C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000434488519 532594030 /nfs/dbraw/zinc/59/40/30/532594030.db2.gz JGADDNZXLZYVPO-OAHLLOKOSA-N 1 2 387.343 2.001 20 0 GEADLO COC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000251857211 532572535 /nfs/dbraw/zinc/57/25/35/532572535.db2.gz NXPLCBGTTSJHJR-IOASZLSFSA-N 1 2 385.302 2.362 20 0 GEADLO COC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000251857211 532572537 /nfs/dbraw/zinc/57/25/37/532572537.db2.gz NXPLCBGTTSJHJR-IOASZLSFSA-N 1 2 385.302 2.362 20 0 GEADLO CCn1cnc2c(c1=O)CC[N@H+](Cc1nc3cc(Br)ccc3[nH]1)C2 ZINC000375674049 532574222 /nfs/dbraw/zinc/57/42/22/532574222.db2.gz RYGDGNRQKMVWEH-UHFFFAOYSA-N 1 2 388.269 2.460 20 0 GEADLO CCn1cnc2c(c1=O)CC[N@@H+](Cc1nc3cc(Br)ccc3[nH]1)C2 ZINC000375674049 532574227 /nfs/dbraw/zinc/57/42/27/532574227.db2.gz RYGDGNRQKMVWEH-UHFFFAOYSA-N 1 2 388.269 2.460 20 0 GEADLO COC[C@]1(C(=O)OC)CCCN1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000595799686 532574184 /nfs/dbraw/zinc/57/41/84/532574184.db2.gz CKKSWFAQWAYTKW-INIZCTEOSA-N 1 2 382.258 2.251 20 0 GEADLO COC[C@@]1(C(=O)OC)CCCN1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000595799687 532574277 /nfs/dbraw/zinc/57/42/77/532574277.db2.gz CKKSWFAQWAYTKW-MRXNPFEDSA-N 1 2 382.258 2.251 20 0 GEADLO Cc1cc(Br)ccc1S(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000472575020 532577569 /nfs/dbraw/zinc/57/75/69/532577569.db2.gz QBTIWNQVBYECIW-UHFFFAOYSA-N 1 2 382.239 2.300 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1cc(Cl)ccc1Br ZINC000433767574 532577919 /nfs/dbraw/zinc/57/79/19/532577919.db2.gz UNEOMKZKTBPVAL-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1cc(Cl)ccc1Br ZINC000433767574 532577925 /nfs/dbraw/zinc/57/79/25/532577925.db2.gz UNEOMKZKTBPVAL-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO CCc1cnc(N2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)s1 ZINC000433781540 532578643 /nfs/dbraw/zinc/57/86/43/532578643.db2.gz XNYRMVPESSYIJN-UHFFFAOYSA-N 1 2 376.555 2.375 20 0 GEADLO CCc1cnc(N2CCN(c3cc(N4CCSCC4)nc[nH+]3)CC2)s1 ZINC000433781540 532578651 /nfs/dbraw/zinc/57/86/51/532578651.db2.gz XNYRMVPESSYIJN-UHFFFAOYSA-N 1 2 376.555 2.375 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)NCCSC(F)(F)F ZINC000284173647 532579723 /nfs/dbraw/zinc/57/97/23/532579723.db2.gz QOSOGGKIJIAWCW-UHFFFAOYSA-N 1 2 380.436 2.053 20 0 GEADLO CO[C@](C)(CO)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000655213016 532580057 /nfs/dbraw/zinc/58/00/57/532580057.db2.gz IYWKGQQZIKAQAA-RDJZCZTQSA-N 1 2 385.302 2.100 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000284173892 532580153 /nfs/dbraw/zinc/58/01/53/532580153.db2.gz ABAXEYRBFQBUGP-OAHLLOKOSA-N 1 2 382.917 2.085 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000284173892 532580161 /nfs/dbraw/zinc/58/01/61/532580161.db2.gz ABAXEYRBFQBUGP-OAHLLOKOSA-N 1 2 382.917 2.085 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c1Cl ZINC000262003945 532581797 /nfs/dbraw/zinc/58/17/97/532581797.db2.gz LNVLXDLEMZJHDW-LBPRGKRZSA-N 1 2 389.308 2.371 20 0 GEADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528776522 532581951 /nfs/dbraw/zinc/58/19/51/532581951.db2.gz WRTJACAIVKHSPH-YCPHGPKFSA-N 1 2 382.551 2.235 20 0 GEADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528776522 532581958 /nfs/dbraw/zinc/58/19/58/532581958.db2.gz WRTJACAIVKHSPH-YCPHGPKFSA-N 1 2 382.551 2.235 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000632501046 532615013 /nfs/dbraw/zinc/61/50/13/532615013.db2.gz IGIJIFXVXQNVSV-LSDHHAIUSA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632500937 532615632 /nfs/dbraw/zinc/61/56/32/532615632.db2.gz GNINLQHNLMMPGV-CVEARBPZSA-N 1 2 390.908 2.398 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)Cc2c(F)cccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000632501415 532615913 /nfs/dbraw/zinc/61/59/13/532615913.db2.gz BSLSKZAYEOQLBD-HOTGVXAUSA-N 1 2 390.908 2.398 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000298004676 532616561 /nfs/dbraw/zinc/61/65/61/532616561.db2.gz ZVOKQBGUAQSBID-UHFFFAOYSA-N 1 2 392.880 2.038 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2ccc(Cl)cc2F)C[C@H]1[NH+]1CCOCC1 ZINC000632502766 532616784 /nfs/dbraw/zinc/61/67/84/532616784.db2.gz YKUVWEOSYUUFFM-HUUCEWRRSA-N 1 2 376.881 2.257 20 0 GEADLO Cn1nc(C(F)(F)F)cc1S(=O)(=O)Nc1c[nH+]ccc1N1CCCC1 ZINC000530157034 532617888 /nfs/dbraw/zinc/61/78/88/532617888.db2.gz PNBCWLOCRXHAMT-UHFFFAOYSA-N 1 2 375.376 2.235 20 0 GEADLO Cc1[nH+]ccc(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)c1Br ZINC000530156084 532618165 /nfs/dbraw/zinc/61/81/65/532618165.db2.gz NMSADDDQIRUDGQ-UHFFFAOYSA-N 1 2 399.192 2.128 20 0 GEADLO COc1ccc(Br)c(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000284507987 532597834 /nfs/dbraw/zinc/59/78/34/532597834.db2.gz DROCGMKXGXZYQM-GJZGRUSLSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(Br)c(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000284507987 532597837 /nfs/dbraw/zinc/59/78/37/532597837.db2.gz DROCGMKXGXZYQM-GJZGRUSLSA-N 1 2 384.274 2.395 20 0 GEADLO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)CC1 ZINC000655643230 532597874 /nfs/dbraw/zinc/59/78/74/532597874.db2.gz UARFUQQJDVLJPL-ZDUSSCGKSA-N 1 2 387.571 2.440 20 0 GEADLO COC(=O)CCCCCS(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000376154303 532598472 /nfs/dbraw/zinc/59/84/72/532598472.db2.gz FNKNBAQVAHYBKO-INIZCTEOSA-N 1 2 388.917 2.350 20 0 GEADLO C[C@H](CN1CCOCC1)[N@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000434712691 532599942 /nfs/dbraw/zinc/59/99/42/532599942.db2.gz DFJYAGTXUPXINR-CYBMUJFWSA-N 1 2 395.352 2.420 20 0 GEADLO C[C@H](CN1CCOCC1)[N@@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000434712691 532599954 /nfs/dbraw/zinc/59/99/54/532599954.db2.gz DFJYAGTXUPXINR-CYBMUJFWSA-N 1 2 395.352 2.420 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000284525554 532600039 /nfs/dbraw/zinc/60/00/39/532600039.db2.gz ZPDYREKDZAQPSO-INIZCTEOSA-N 1 2 382.917 2.098 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000284525554 532600042 /nfs/dbraw/zinc/60/00/42/532600042.db2.gz ZPDYREKDZAQPSO-INIZCTEOSA-N 1 2 382.917 2.098 20 0 GEADLO COc1cc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1Br ZINC000284539818 532600102 /nfs/dbraw/zinc/60/01/02/532600102.db2.gz HHUWXSOIFHISRA-UONOGXRCSA-N 1 2 384.274 2.395 20 0 GEADLO COc1cc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1Br ZINC000284539818 532600108 /nfs/dbraw/zinc/60/01/08/532600108.db2.gz HHUWXSOIFHISRA-UONOGXRCSA-N 1 2 384.274 2.395 20 0 GEADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000376196346 532601827 /nfs/dbraw/zinc/60/18/27/532601827.db2.gz BUHXBXSIRYAIBI-CHWSQXEVSA-N 1 2 392.327 2.334 20 0 GEADLO Cn1ncnc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000376224655 532602615 /nfs/dbraw/zinc/60/26/15/532602615.db2.gz GPVOHLMQQANWJQ-UHFFFAOYSA-N 1 2 378.274 2.428 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nc2ccccc2cc1Br ZINC000656138666 532605229 /nfs/dbraw/zinc/60/52/29/532605229.db2.gz FFQNKSDHPRKYRY-CQSZACIVSA-N 1 2 380.286 2.127 20 0 GEADLO O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000632355871 532605391 /nfs/dbraw/zinc/60/53/91/532605391.db2.gz ZXFDHEUUZFSYLB-UHFFFAOYSA-N 1 2 398.834 2.312 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC[NH2+]1 ZINC000262893725 532605621 /nfs/dbraw/zinc/60/56/21/532605621.db2.gz OUDIMRWUFRPJSE-TZMCWYRMSA-N 1 2 379.507 2.419 20 0 GEADLO COC(=O)C[C@@H]1CCCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000434976702 532606018 /nfs/dbraw/zinc/60/60/18/532606018.db2.gz MZJCQCWNOUHPGQ-ZDUSSCGKSA-N 1 2 395.257 2.334 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000632385688 532607492 /nfs/dbraw/zinc/60/74/92/532607492.db2.gz OXTSERHAXCDCQV-OAHLLOKOSA-N 1 2 376.881 2.106 20 0 GEADLO Cc1nc2cc(Cl)c(NC(=O)NC[C@@H](O)C[NH+]3CCOCC3)cc2s1 ZINC000435171371 532608910 /nfs/dbraw/zinc/60/89/10/532608910.db2.gz PKHWVKNYWQGRHL-LLVKDONJSA-N 1 2 384.889 2.073 20 0 GEADLO CNC(=O)NC[C@H]1C[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCO1 ZINC000529643579 532610372 /nfs/dbraw/zinc/61/03/72/532610372.db2.gz QQUYZWYAROEQDL-AWEZNQCLSA-N 1 2 386.279 2.399 20 0 GEADLO CNC(=O)NC[C@H]1C[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCO1 ZINC000529643579 532610377 /nfs/dbraw/zinc/61/03/77/532610377.db2.gz QQUYZWYAROEQDL-AWEZNQCLSA-N 1 2 386.279 2.399 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1(C)C ZINC000566461436 532611330 /nfs/dbraw/zinc/61/13/30/532611330.db2.gz PPOOTQWFCAPKCA-UHFFFAOYSA-N 1 2 378.270 2.457 20 0 GEADLO C[N@H+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1(C)C ZINC000566461436 532611337 /nfs/dbraw/zinc/61/13/37/532611337.db2.gz PPOOTQWFCAPKCA-UHFFFAOYSA-N 1 2 378.270 2.457 20 0 GEADLO C[C@]1(CO)C[N@@H+](Cc2ccc(F)cc2I)C[C@@]1(C)CO ZINC000529668533 532611502 /nfs/dbraw/zinc/61/15/02/532611502.db2.gz KXUFQPQTDVOKRQ-GASCZTMLSA-N 1 2 393.240 2.243 20 0 GEADLO C[C@]1(CO)C[N@H+](Cc2ccc(F)cc2I)C[C@@]1(C)CO ZINC000529668533 532611506 /nfs/dbraw/zinc/61/15/06/532611506.db2.gz KXUFQPQTDVOKRQ-GASCZTMLSA-N 1 2 393.240 2.243 20 0 GEADLO Cc1nc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1I ZINC000597687352 532624609 /nfs/dbraw/zinc/62/46/09/532624609.db2.gz NOCYWIPYVCWFMX-SECBINFHSA-N 1 2 382.205 2.461 20 0 GEADLO Cc1nc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1I ZINC000597687352 532624618 /nfs/dbraw/zinc/62/46/18/532624618.db2.gz NOCYWIPYVCWFMX-SECBINFHSA-N 1 2 382.205 2.461 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000632546137 532624728 /nfs/dbraw/zinc/62/47/28/532624728.db2.gz LXMXBAXEVYPQGO-CQSZACIVSA-N 1 2 378.885 2.338 20 0 GEADLO COC(=O)c1cc(Br)cc(S(=O)(=O)N2CCc3c[nH+]ccc32)c1 ZINC000530736486 532627257 /nfs/dbraw/zinc/62/72/57/532627257.db2.gz MOVZSOHQRQVQKI-UHFFFAOYSA-N 1 2 397.250 2.382 20 0 GEADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCOc1ccccc1I ZINC000597858317 532629317 /nfs/dbraw/zinc/62/93/17/532629317.db2.gz RQHISPIIPGKLCJ-UHFFFAOYSA-N 1 2 385.205 2.442 20 0 GEADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCOc1ccccc1I ZINC000597858317 532629326 /nfs/dbraw/zinc/62/93/26/532629326.db2.gz RQHISPIIPGKLCJ-UHFFFAOYSA-N 1 2 385.205 2.442 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000284913661 532630742 /nfs/dbraw/zinc/63/07/42/532630742.db2.gz MUBXPYCXYGXTSR-HOTGVXAUSA-N 1 2 378.519 2.428 20 0 GEADLO CN(Cc1ncc(Cl)n1C)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000376826533 532631174 /nfs/dbraw/zinc/63/11/74/532631174.db2.gz BVYNUZALPUTFQO-UHFFFAOYSA-N 1 2 382.921 2.336 20 0 GEADLO CSc1ccc(Cl)cc1NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000263663676 532633420 /nfs/dbraw/zinc/63/34/20/532633420.db2.gz CSEJDNINKGVIRQ-UHFFFAOYSA-N 1 2 385.917 2.227 20 0 GEADLO CSc1ccc(Cl)cc1NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000263663676 532633421 /nfs/dbraw/zinc/63/34/21/532633421.db2.gz CSEJDNINKGVIRQ-UHFFFAOYSA-N 1 2 385.917 2.227 20 0 GEADLO CO[C@H](c1ccc(Br)cc1)[C@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000436414886 532633776 /nfs/dbraw/zinc/63/37/76/532633776.db2.gz QGRIQRXQLFPBET-ZANVPECISA-N 1 2 391.273 2.896 20 0 GEADLO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000436414876 532633797 /nfs/dbraw/zinc/63/37/97/532633797.db2.gz QGRIQRXQLFPBET-NOZJJQNGSA-N 1 2 391.273 2.896 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cc(Br)ccn1)C(C)(C)CO ZINC000298195623 532634470 /nfs/dbraw/zinc/63/44/70/532634470.db2.gz XHUFEGADSYOVHO-GFCCVEGCSA-N 1 2 382.262 2.459 20 0 GEADLO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000475018611 532635418 /nfs/dbraw/zinc/63/54/18/532635418.db2.gz QCXNCDJAECQFCM-KRWDZBQOSA-N 1 2 389.279 2.065 20 0 GEADLO CC(=O)N1CC[NH+](Cc2cccc(NS(=O)(=O)c3ccsc3)c2)CC1 ZINC000284986632 532637590 /nfs/dbraw/zinc/63/75/90/532637590.db2.gz FAWPEIGSSMNZBT-UHFFFAOYSA-N 1 2 379.507 2.213 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Br)NCC[NH+]1CCSCC1 ZINC000656900692 532640780 /nfs/dbraw/zinc/64/07/80/532640780.db2.gz IKCJVFUTYDCFKO-UHFFFAOYSA-N 1 2 397.335 2.056 20 0 GEADLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1 ZINC000531919126 532641446 /nfs/dbraw/zinc/64/14/46/532641446.db2.gz DOGPBSZPBJPKBQ-HZPDHXFCSA-N 1 2 395.297 2.391 20 0 GEADLO CC(C)n1cc(S(=O)(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cn1 ZINC000567179169 532644676 /nfs/dbraw/zinc/64/46/76/532644676.db2.gz AJTUELCYFJQANA-UHFFFAOYSA-N 1 2 383.543 2.247 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000264107413 532660737 /nfs/dbraw/zinc/66/07/37/532660737.db2.gz QAKBNQBJRUSXLK-LBPRGKRZSA-N 1 2 388.295 2.041 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@H+](C)CCNC(=O)NC(C)C)c1 ZINC000567770781 532661169 /nfs/dbraw/zinc/66/11/69/532661169.db2.gz GXTUMTWDFXSJFI-HNNXBMFYSA-N 1 2 388.306 2.131 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)CCNC(=O)NC(C)C)c1 ZINC000567770781 532661176 /nfs/dbraw/zinc/66/11/76/532661176.db2.gz GXTUMTWDFXSJFI-HNNXBMFYSA-N 1 2 388.306 2.131 20 0 GEADLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000285231026 532661368 /nfs/dbraw/zinc/66/13/68/532661368.db2.gz CMSYWUYAUDPBOP-AXFHLTTASA-N 1 2 378.420 2.337 20 0 GEADLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000285231026 532661372 /nfs/dbraw/zinc/66/13/72/532661372.db2.gz CMSYWUYAUDPBOP-AXFHLTTASA-N 1 2 378.420 2.337 20 0 GEADLO NC(=O)C[C@@H]1CC[N@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000377581178 532661883 /nfs/dbraw/zinc/66/18/83/532661883.db2.gz FQZROHJUXWKDBL-LBPRGKRZSA-N 1 2 379.258 2.120 20 0 GEADLO NC(=O)C[C@@H]1CC[N@@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000377581178 532661889 /nfs/dbraw/zinc/66/18/89/532661889.db2.gz FQZROHJUXWKDBL-LBPRGKRZSA-N 1 2 379.258 2.120 20 0 GEADLO O=C(CSc1ccc(Cl)cc1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478958201 532661973 /nfs/dbraw/zinc/66/19/73/532661973.db2.gz QURXPQZENRUMIJ-MRXNPFEDSA-N 1 2 384.929 2.382 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCc1[nH+]ccn1C ZINC000264152260 532664596 /nfs/dbraw/zinc/66/45/96/532664596.db2.gz JXRIPJURGJPSII-UHFFFAOYSA-N 1 2 394.273 2.319 20 0 GEADLO O=S(=O)(c1cc(F)cc(Cl)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000533693087 532665790 /nfs/dbraw/zinc/66/57/90/532665790.db2.gz FUYYWFHHUSNJCH-OAHLLOKOSA-N 1 2 376.881 2.355 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000599564167 532666079 /nfs/dbraw/zinc/66/60/79/532666079.db2.gz GBKIQDLFRFLRNF-ZBEGNZNMSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000599564167 532666082 /nfs/dbraw/zinc/66/60/82/532666082.db2.gz GBKIQDLFRFLRNF-ZBEGNZNMSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000599568886 532666775 /nfs/dbraw/zinc/66/67/75/532666775.db2.gz KWCICBLEQZDYJT-MRXNPFEDSA-N 1 2 396.241 2.263 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000599568886 532666779 /nfs/dbraw/zinc/66/67/79/532666779.db2.gz KWCICBLEQZDYJT-MRXNPFEDSA-N 1 2 396.241 2.263 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000567275631 532647176 /nfs/dbraw/zinc/64/71/76/532647176.db2.gz UVYFKDXFWGHZMG-LSDHHAIUSA-N 1 2 392.297 2.175 20 0 GEADLO CCn1cc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cn1 ZINC000263887618 532647363 /nfs/dbraw/zinc/64/73/63/532647363.db2.gz QJRRUFPDWVERMV-HNNXBMFYSA-N 1 2 379.873 2.358 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000567275630 532647617 /nfs/dbraw/zinc/64/76/17/532647617.db2.gz UVYFKDXFWGHZMG-HUUCEWRRSA-N 1 2 392.297 2.175 20 0 GEADLO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(Br)cc(Cl)c1O ZINC000436984059 532647745 /nfs/dbraw/zinc/64/77/45/532647745.db2.gz LORSKBARQYQBHB-CQSZACIVSA-N 1 2 379.682 2.241 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000656921180 532647884 /nfs/dbraw/zinc/64/78/84/532647884.db2.gz PSKDUQQFFOZMFT-INIZCTEOSA-N 1 2 390.908 2.496 20 0 GEADLO CC(C)CN(C)S(=O)(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000477266384 532648572 /nfs/dbraw/zinc/64/85/72/532648572.db2.gz NSHAOSUSIOCOIP-UHFFFAOYSA-N 1 2 389.949 2.169 20 0 GEADLO C[C@@H](O)CNc1cc(NCC(=O)Nc2ccc(Br)cc2)nc[nH+]1 ZINC000298433715 532648641 /nfs/dbraw/zinc/64/86/41/532648641.db2.gz XDOYHFZSGDBLHG-SNVBAGLBSA-N 1 2 380.246 2.082 20 0 GEADLO C[C@@H](O)CNc1cc(NCC(=O)Nc2ccc(Br)cc2)[nH+]cn1 ZINC000298433715 532648645 /nfs/dbraw/zinc/64/86/45/532648645.db2.gz XDOYHFZSGDBLHG-SNVBAGLBSA-N 1 2 380.246 2.082 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000477373188 532649905 /nfs/dbraw/zinc/64/99/05/532649905.db2.gz MLZWVLSCADYPOB-UHFFFAOYSA-N 1 2 388.295 2.170 20 0 GEADLO COc1ccc([C@@H](O)CNc2[nH+]cnc3c2c(Br)nn3C)cc1 ZINC000263958139 532652286 /nfs/dbraw/zinc/65/22/86/532652286.db2.gz NFERMEBYTMZRDD-NSHDSACASA-N 1 2 378.230 2.280 20 0 GEADLO Cc1cccc(C(=O)NCCNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000263953693 532652624 /nfs/dbraw/zinc/65/26/24/532652624.db2.gz KKVUIBIZACMFCB-UHFFFAOYSA-N 1 2 389.257 2.276 20 0 GEADLO C[C@@H](NC(=O)CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F)c1cccs1 ZINC000437247853 532652713 /nfs/dbraw/zinc/65/27/13/532652713.db2.gz QHVNFIUWZNYXCO-SNVBAGLBSA-N 1 2 395.428 2.299 20 0 GEADLO COC(=O)c1cc(CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)oc1C ZINC000437239423 532652927 /nfs/dbraw/zinc/65/29/27/532652927.db2.gz VCPABFSTNQRPJP-UHFFFAOYSA-N 1 2 380.344 2.248 20 0 GEADLO CC(C)C[C@H](CNS(=O)(=O)c1cnc2ccsc2c1)[NH+]1CCOCC1 ZINC000437237103 532653483 /nfs/dbraw/zinc/65/34/83/532653483.db2.gz YGAFVXOUCQEKAO-CQSZACIVSA-N 1 2 383.539 2.322 20 0 GEADLO CN(CCS(C)(=O)=O)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000263987577 532654970 /nfs/dbraw/zinc/65/49/70/532654970.db2.gz SXKPQVBWSKLXAZ-MRXNPFEDSA-N 1 2 387.933 2.163 20 0 GEADLO CN(CCS(C)(=O)=O)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000263987572 532655078 /nfs/dbraw/zinc/65/50/78/532655078.db2.gz SXKPQVBWSKLXAZ-INIZCTEOSA-N 1 2 387.933 2.163 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000532711284 532655258 /nfs/dbraw/zinc/65/52/58/532655258.db2.gz ICTOTFFMUQSLQI-JQWIXIFHSA-N 1 2 394.324 2.334 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000532711284 532655266 /nfs/dbraw/zinc/65/52/66/532655266.db2.gz ICTOTFFMUQSLQI-JQWIXIFHSA-N 1 2 394.324 2.334 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CSC(=S)N1CCC(C)CC1 ZINC000377380658 532655664 /nfs/dbraw/zinc/65/56/64/532655664.db2.gz RAPKICAIJOTMDW-CVEARBPZSA-N 1 2 385.599 2.058 20 0 GEADLO COc1ccc(C(=O)Nc2c[nH+]ccc2-n2ccnn2)nc1Br ZINC000377447132 532658814 /nfs/dbraw/zinc/65/88/14/532658814.db2.gz HDDYEHIBCPGYGW-UHFFFAOYSA-N 1 2 375.186 2.081 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2sccc2Br)C1 ZINC000378259154 532686208 /nfs/dbraw/zinc/68/62/08/532686208.db2.gz CBSVWQJIMXTOAV-VIFPVBQESA-N 1 2 376.301 2.422 20 0 GEADLO CC(C)(CNC(=O)/C=C/c1ccccc1Br)[NH+]1CCS(=O)CC1 ZINC000265009192 532686419 /nfs/dbraw/zinc/68/64/19/532686419.db2.gz GOVLUHMSPCKCTR-BQYQJAHWSA-N 1 2 399.354 2.421 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(Br)cc1 ZINC000264292538 532670477 /nfs/dbraw/zinc/67/04/77/532670477.db2.gz KKPBNOVQJDVSQJ-UHFFFAOYSA-N 1 2 379.258 2.230 20 0 GEADLO O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)C12CCC[NH+]1CCC2 ZINC000377780996 532670387 /nfs/dbraw/zinc/67/03/87/532670387.db2.gz QXHLNVYFILXJDK-UHFFFAOYSA-N 1 2 390.285 2.479 20 0 GEADLO O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)C12CCC[NH+]1CCC2 ZINC000377780996 532670395 /nfs/dbraw/zinc/67/03/95/532670395.db2.gz QXHLNVYFILXJDK-UHFFFAOYSA-N 1 2 390.285 2.479 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298733346 532670637 /nfs/dbraw/zinc/67/06/37/532670637.db2.gz HOGVQQXPTCFIOD-KBPBESRZSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298733346 532670645 /nfs/dbraw/zinc/67/06/45/532670645.db2.gz HOGVQQXPTCFIOD-KBPBESRZSA-N 1 2 387.933 2.237 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)CCc3ccc(Br)cc3)CC2)cn1 ZINC000482513486 532670995 /nfs/dbraw/zinc/67/09/95/532670995.db2.gz RNXSVMHKYLWLFJ-UHFFFAOYSA-N 1 2 391.313 2.460 20 0 GEADLO CCOC(=O)CCCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534818404 532672922 /nfs/dbraw/zinc/67/29/22/532672922.db2.gz LPMBEEPNJZAFPE-RDJZCZTQSA-N 1 2 388.917 2.348 20 0 GEADLO CCOC(=O)CCCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534818404 532672927 /nfs/dbraw/zinc/67/29/27/532672927.db2.gz LPMBEEPNJZAFPE-RDJZCZTQSA-N 1 2 388.917 2.348 20 0 GEADLO C[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)c1[nH]cc[nH+]1 ZINC000568233647 532673053 /nfs/dbraw/zinc/67/30/53/532673053.db2.gz VPRIMJKQIOVNTK-RKDXNWHRSA-N 1 2 391.225 2.034 20 0 GEADLO NS(=O)(=O)C1CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC000534876365 532674325 /nfs/dbraw/zinc/67/43/25/532674325.db2.gz XKAFNVFZADHXKE-UHFFFAOYSA-N 1 2 399.257 2.303 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000285362663 532675157 /nfs/dbraw/zinc/67/51/57/532675157.db2.gz FIOLUBINSILFAK-UHFFFAOYSA-N 1 2 379.295 2.349 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnc(Cl)c(Br)c1 ZINC000298795682 532675764 /nfs/dbraw/zinc/67/57/64/532675764.db2.gz WUJCNAFMDVONQG-JTQLQIEISA-N 1 2 376.682 2.290 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000483264486 532676229 /nfs/dbraw/zinc/67/62/29/532676229.db2.gz RETOXBFGYFAYNC-SMDDNHRTSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000483264486 532676232 /nfs/dbraw/zinc/67/62/32/532676232.db2.gz RETOXBFGYFAYNC-SMDDNHRTSA-N 1 2 376.266 2.359 20 0 GEADLO Cn1cc(Br)cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1=O ZINC000378059647 532678375 /nfs/dbraw/zinc/67/83/75/532678375.db2.gz NJQQXORRNBVZKH-SNVBAGLBSA-N 1 2 380.246 2.282 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)[C@H]1c1ccc(Cl)cc1 ZINC000568788706 532686756 /nfs/dbraw/zinc/68/67/56/532686756.db2.gz NKCOYBFPICBUCZ-RPVQJOFSSA-N 1 2 384.929 2.416 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)[C@H]1c1ccc(Cl)cc1 ZINC000568788706 532686762 /nfs/dbraw/zinc/68/67/62/532686762.db2.gz NKCOYBFPICBUCZ-RPVQJOFSSA-N 1 2 384.929 2.416 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000438959877 532680466 /nfs/dbraw/zinc/68/04/66/532680466.db2.gz AUNACQQMDOQBMS-MJBXVCDLSA-N 1 2 379.258 2.464 20 0 GEADLO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378113414 532680659 /nfs/dbraw/zinc/68/06/59/532680659.db2.gz PUZXOOLCSRVFAS-IUODEOHRSA-N 1 2 379.258 2.062 20 0 GEADLO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378113414 532680662 /nfs/dbraw/zinc/68/06/62/532680662.db2.gz PUZXOOLCSRVFAS-IUODEOHRSA-N 1 2 379.258 2.062 20 0 GEADLO O=C(C[NH+]1CCN(c2ccc(Br)cc2)CC1)NCc1cccnc1 ZINC000661576087 532680923 /nfs/dbraw/zinc/68/09/23/532680923.db2.gz DVHGTYMGTUMTSH-UHFFFAOYSA-N 1 2 389.297 2.283 20 0 GEADLO C[C@H](C[NH+]1CCN(c2ccc(Br)cc2)CC1)CS(C)(=O)=O ZINC000661575662 532681764 /nfs/dbraw/zinc/68/17/64/532681764.db2.gz AEFGVVXMZOOLPF-CYBMUJFWSA-N 1 2 375.332 2.252 20 0 GEADLO CC[C@@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCN1CC(F)F ZINC000638134181 532682036 /nfs/dbraw/zinc/68/20/36/532682036.db2.gz UUIZCMVBQLPYEK-GFCCVEGCSA-N 1 2 381.876 2.149 20 0 GEADLO CC[C@@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCN1CC(F)F ZINC000638134181 532682045 /nfs/dbraw/zinc/68/20/45/532682045.db2.gz UUIZCMVBQLPYEK-GFCCVEGCSA-N 1 2 381.876 2.149 20 0 GEADLO CC[C@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@@H](CC)CN1C(C)=O ZINC000638123014 532682189 /nfs/dbraw/zinc/68/21/89/532682189.db2.gz RMOQRTYQXVWBQD-GJZGRUSLSA-N 1 2 387.933 2.209 20 0 GEADLO CC[C@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@@H](CC)CN1C(C)=O ZINC000638123014 532682192 /nfs/dbraw/zinc/68/21/92/532682192.db2.gz RMOQRTYQXVWBQD-GJZGRUSLSA-N 1 2 387.933 2.209 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000378369470 532692115 /nfs/dbraw/zinc/69/21/15/532692115.db2.gz KXKYBSHKTHESDT-CQSZACIVSA-N 1 2 391.269 2.276 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc(Cl)c1OC ZINC000378372987 532692129 /nfs/dbraw/zinc/69/21/29/532692129.db2.gz SOSWTTDDFZIKTM-CYBMUJFWSA-N 1 2 376.906 2.259 20 0 GEADLO COc1cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc(Cl)c1OC ZINC000378372987 532692136 /nfs/dbraw/zinc/69/21/36/532692136.db2.gz SOSWTTDDFZIKTM-CYBMUJFWSA-N 1 2 376.906 2.259 20 0 GEADLO Cc1[nH+]c2n(c1CN1CCN(C(=O)CSC(F)(F)F)CC1)CCCC2 ZINC000378375349 532692669 /nfs/dbraw/zinc/69/26/69/532692669.db2.gz HNVNLULCDTUZRQ-UHFFFAOYSA-N 1 2 376.448 2.425 20 0 GEADLO CCN1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000487332419 532693628 /nfs/dbraw/zinc/69/36/28/532693628.db2.gz BHPUPWMTMCKYOG-CYBMUJFWSA-N 1 2 384.889 2.139 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000569257421 532694029 /nfs/dbraw/zinc/69/40/29/532694029.db2.gz XCYJEGKGABSYBR-GXTWGEPZSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000569257421 532694032 /nfs/dbraw/zinc/69/40/32/532694032.db2.gz XCYJEGKGABSYBR-GXTWGEPZSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000536597867 532694334 /nfs/dbraw/zinc/69/43/34/532694334.db2.gz HRWLWBYAIDXESA-UONOGXRCSA-N 1 2 385.555 2.087 20 0 GEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000536597867 532694339 /nfs/dbraw/zinc/69/43/39/532694339.db2.gz HRWLWBYAIDXESA-UONOGXRCSA-N 1 2 385.555 2.087 20 0 GEADLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)Nc1nnc([C@@H]2CCCO2)s1 ZINC000640738624 532696210 /nfs/dbraw/zinc/69/62/10/532696210.db2.gz BSJYVUFMOKBJOS-NSHDSACASA-N 1 2 378.845 3.012 20 0 GEADLO C[C@H](CS(C)(=O)=O)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000603586815 532697284 /nfs/dbraw/zinc/69/72/84/532697284.db2.gz PTDYEBPSVMFJNR-CZUORRHYSA-N 1 2 387.933 2.209 20 0 GEADLO COc1cc(Br)c(Cn2cc(Cn3cc[nH+]c3)nn2)cc1OC ZINC000640860350 532699380 /nfs/dbraw/zinc/69/93/80/532699380.db2.gz RCTJRYRMPYWKAR-UHFFFAOYSA-N 1 2 378.230 2.351 20 0 GEADLO NS(=O)(=O)CC1CC[NH+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000285714160 532701041 /nfs/dbraw/zinc/70/10/41/532701041.db2.gz SODVVZMTHZLZRO-UHFFFAOYSA-N 1 2 388.287 2.091 20 0 GEADLO C[C@@H]1CCN(C(=O)Nc2cn(C)cc(Br)c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000666692932 532701999 /nfs/dbraw/zinc/70/19/99/532701999.db2.gz GELSHZLGBKNHCM-RISCZKNCSA-N 1 2 394.273 2.459 20 0 GEADLO CCOC(=O)c1nc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)cs1 ZINC000537062220 532702713 /nfs/dbraw/zinc/70/27/13/532702713.db2.gz LYLXQYCFVKTDQY-LLVKDONJSA-N 1 2 383.495 2.079 20 0 GEADLO CC(=O)N(c1nc(C[NH2+]C[C@H]2CCCS2(=O)=O)cs1)c1ccccc1 ZINC000638770489 532687021 /nfs/dbraw/zinc/68/70/21/532687021.db2.gz CPKGEXFSVVUWHO-MRXNPFEDSA-N 1 2 379.507 2.495 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NCCS(=O)(=O)c1ccccc1)c1ccsc1 ZINC000298951493 532687391 /nfs/dbraw/zinc/68/73/91/532687391.db2.gz CDCHJTRLXKWKOB-INIZCTEOSA-N 1 2 381.523 2.124 20 0 GEADLO CCc1ccc(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 ZINC000439275514 532687577 /nfs/dbraw/zinc/68/75/77/532687577.db2.gz QMIYUQLQMCQISY-UHFFFAOYSA-N 1 2 379.448 2.200 20 0 GEADLO CCC[N@H+](CCS(=O)(=O)N(C)C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000285522195 532687758 /nfs/dbraw/zinc/68/77/58/532687758.db2.gz GMTBKFSZPHICMY-UHFFFAOYSA-N 1 2 386.905 2.493 20 0 GEADLO CCC[N@@H+](CCS(=O)(=O)N(C)C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000285522195 532687762 /nfs/dbraw/zinc/68/77/62/532687762.db2.gz GMTBKFSZPHICMY-UHFFFAOYSA-N 1 2 386.905 2.493 20 0 GEADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000378264683 532687797 /nfs/dbraw/zinc/68/77/97/532687797.db2.gz CPXDEHKSUQWXNW-GFCCVEGCSA-N 1 2 383.857 2.038 20 0 GEADLO Cc1cccc(C)c1C[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439288758 532688376 /nfs/dbraw/zinc/68/83/76/532688376.db2.gz YPHBEDRVYVTCRH-UHFFFAOYSA-N 1 2 379.448 2.254 20 0 GEADLO OCC1(CCNc2nc[nH+]c(NCCC3(CO)CC3)c2Br)CC1 ZINC000663974166 532688491 /nfs/dbraw/zinc/68/84/91/532688491.db2.gz DDONIJZTNASOTR-UHFFFAOYSA-N 1 2 385.306 2.388 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000663992087 532688574 /nfs/dbraw/zinc/68/85/74/532688574.db2.gz VSCGDMAZHIQLCT-DOMZBBRYSA-N 1 2 390.311 2.389 20 0 GEADLO O=S(=O)(NCC(F)(F)F)NC1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000439280412 532688498 /nfs/dbraw/zinc/68/84/98/532688498.db2.gz ZNSCTVNXYGMZEZ-UHFFFAOYSA-N 1 2 399.866 2.333 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000663992087 532688580 /nfs/dbraw/zinc/68/85/80/532688580.db2.gz VSCGDMAZHIQLCT-DOMZBBRYSA-N 1 2 390.311 2.389 20 0 GEADLO Cc1cc(C[NH+]2CCC(N(C)S(=O)(=O)c3cncc(Cl)c3)CC2)on1 ZINC000378287968 532689011 /nfs/dbraw/zinc/68/90/11/532689011.db2.gz LMKOPYFUDGZBPJ-UHFFFAOYSA-N 1 2 384.889 2.317 20 0 GEADLO CC[N@H+](Cc1ccccc1Br)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000439330441 532689638 /nfs/dbraw/zinc/68/96/38/532689638.db2.gz QMFHATUSAWVDOG-ZFWWWQNUSA-N 1 2 396.329 2.383 20 0 GEADLO CC[N@@H+](Cc1ccccc1Br)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000439330441 532689639 /nfs/dbraw/zinc/68/96/39/532689639.db2.gz QMFHATUSAWVDOG-ZFWWWQNUSA-N 1 2 396.329 2.383 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000536132685 532690072 /nfs/dbraw/zinc/69/00/72/532690072.db2.gz YNGBJNOQLYJOTC-RYUDHWBXSA-N 1 2 382.507 2.401 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000536132685 532690075 /nfs/dbraw/zinc/69/00/75/532690075.db2.gz YNGBJNOQLYJOTC-RYUDHWBXSA-N 1 2 382.507 2.401 20 0 GEADLO O=S(=O)(c1cc(Cl)sc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266149274 532705199 /nfs/dbraw/zinc/70/51/99/532705199.db2.gz FERBYDIGKYPBSS-JTQLQIEISA-N 1 2 385.338 2.398 20 0 GEADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(CCO)Cc1cccc(Br)c1 ZINC000489089454 532705395 /nfs/dbraw/zinc/70/53/95/532705395.db2.gz RACBPCOBESOHNX-CQSZACIVSA-N 1 2 378.270 2.229 20 0 GEADLO CN(C[C@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3n2C)C1)S(C)(=O)=O ZINC000285779914 532706141 /nfs/dbraw/zinc/70/61/41/532706141.db2.gz YQKYGULYAPEXRK-CYBMUJFWSA-N 1 2 384.933 2.330 20 0 GEADLO CN(C[C@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)C1)S(C)(=O)=O ZINC000285779914 532706145 /nfs/dbraw/zinc/70/61/45/532706145.db2.gz YQKYGULYAPEXRK-CYBMUJFWSA-N 1 2 384.933 2.330 20 0 GEADLO COC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000392476606 532708470 /nfs/dbraw/zinc/70/84/70/532708470.db2.gz HUIJQOGZZROHAW-UHFFFAOYSA-N 1 2 399.271 2.002 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cs1 ZINC000266242699 532711490 /nfs/dbraw/zinc/71/14/90/532711490.db2.gz VDGCYZHIEQEQAD-CYBMUJFWSA-N 1 2 384.479 2.243 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000285830233 532711585 /nfs/dbraw/zinc/71/15/85/532711585.db2.gz HESBDZDZXBIGIM-VXGBXAGGSA-N 1 2 397.273 2.387 20 0 GEADLO CS(=O)(=O)N1CCC[N@H+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000408241238 532713559 /nfs/dbraw/zinc/71/35/59/532713559.db2.gz UYUOKTHBFTWRQK-UHFFFAOYSA-N 1 2 388.287 2.058 20 0 GEADLO CS(=O)(=O)N1CCC[N@@H+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000408241238 532713564 /nfs/dbraw/zinc/71/35/64/532713564.db2.gz UYUOKTHBFTWRQK-UHFFFAOYSA-N 1 2 388.287 2.058 20 0 GEADLO CN(C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1)S(C)(=O)=O ZINC000299391299 532713965 /nfs/dbraw/zinc/71/39/65/532713965.db2.gz SKWJRDIICPNHQJ-UHFFFAOYSA-N 1 2 379.295 2.444 20 0 GEADLO O=C(NCc1cccc(Cl)c1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000670486046 532717917 /nfs/dbraw/zinc/71/79/17/532717917.db2.gz WHUDPBSZIHTKFV-UHFFFAOYSA-N 1 2 377.897 2.362 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1cccc(Br)c1Cl ZINC000575337558 532720401 /nfs/dbraw/zinc/72/04/01/532720401.db2.gz WYEBBFFHPKOJIP-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000538851468 532720922 /nfs/dbraw/zinc/72/09/22/532720922.db2.gz NORHVEQTALQSRT-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000538851468 532720923 /nfs/dbraw/zinc/72/09/23/532720923.db2.gz NORHVEQTALQSRT-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO CCCC[N@H+](Cc1nc(CS(C)(=O)=O)no1)[C@@H]1CCc2ncsc2C1 ZINC000646129794 532722255 /nfs/dbraw/zinc/72/22/55/532722255.db2.gz TUPPQGKJJQAMFO-GFCCVEGCSA-N 1 2 384.527 2.230 20 0 GEADLO CCCC[N@@H+](Cc1nc(CS(C)(=O)=O)no1)[C@@H]1CCc2ncsc2C1 ZINC000646129794 532722261 /nfs/dbraw/zinc/72/22/61/532722261.db2.gz TUPPQGKJJQAMFO-GFCCVEGCSA-N 1 2 384.527 2.230 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2cccc(SC)c2)C1 ZINC000646107487 532722449 /nfs/dbraw/zinc/72/24/49/532722449.db2.gz MUHZVKUEDLWQTP-OAHLLOKOSA-N 1 2 375.416 2.347 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2cccc(SC)c2)C1 ZINC000646107487 532722452 /nfs/dbraw/zinc/72/24/52/532722452.db2.gz MUHZVKUEDLWQTP-OAHLLOKOSA-N 1 2 375.416 2.347 20 0 GEADLO COC[C@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000671646464 532722945 /nfs/dbraw/zinc/72/29/45/532722945.db2.gz KYMCEMCGJPVNDH-LBPRGKRZSA-N 1 2 385.262 2.485 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3cccc4cnccc43)CC2)S1 ZINC000266715256 532723014 /nfs/dbraw/zinc/72/30/14/532723014.db2.gz ILZGEFMEWYADJW-CYBMUJFWSA-N 1 2 376.507 2.032 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000646112539 532723203 /nfs/dbraw/zinc/72/32/03/532723203.db2.gz RGTQEDMMHFQAEO-IAQYHMDHSA-N 1 2 378.416 2.152 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000646112539 532723207 /nfs/dbraw/zinc/72/32/07/532723207.db2.gz RGTQEDMMHFQAEO-IAQYHMDHSA-N 1 2 378.416 2.152 20 0 GEADLO OC[C@H](CC(F)(F)F)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000576151871 532725113 /nfs/dbraw/zinc/72/51/13/532725113.db2.gz QVRSHUUERACBDP-VIFPVBQESA-N 1 2 379.180 2.433 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000441744836 532726864 /nfs/dbraw/zinc/72/68/64/532726864.db2.gz QYZKLSGJOBBHBA-MRVPVSSYSA-N 1 2 387.184 2.067 20 0 GEADLO CC[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000266847282 532727595 /nfs/dbraw/zinc/72/75/95/532727595.db2.gz PSRRNTXRFHDZHE-WDEREUQCSA-N 1 2 379.452 2.158 20 0 GEADLO CC[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000266847282 532727600 /nfs/dbraw/zinc/72/76/00/532727600.db2.gz PSRRNTXRFHDZHE-WDEREUQCSA-N 1 2 379.452 2.158 20 0 GEADLO COC[C@@H](OC)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000613156174 532727685 /nfs/dbraw/zinc/72/76/85/532727685.db2.gz XLBYVNHCRJPSSK-MRXNPFEDSA-N 1 2 375.296 2.342 20 0 GEADLO Cc1nnc(CC(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)[nH]1 ZINC000613155884 532727940 /nfs/dbraw/zinc/72/79/40/532727940.db2.gz UIIQUWLTVCZJCL-UHFFFAOYSA-N 1 2 382.295 2.349 20 0 GEADLO Cc1nsc(N2CC[NH+]([C@@H](C)C(=O)N3CCc4sccc4C3)CC2)n1 ZINC000266859497 532728143 /nfs/dbraw/zinc/72/81/43/532728143.db2.gz JCJPOGHOGOUGBT-LBPRGKRZSA-N 1 2 377.539 2.003 20 0 GEADLO C[C@H]1CCC[C@H]1CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000499957275 532729224 /nfs/dbraw/zinc/72/92/24/532729224.db2.gz XCBYNBXPUHYBDK-RYUDHWBXSA-N 1 2 393.285 2.265 20 0 GEADLO O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785367 532731441 /nfs/dbraw/zinc/73/14/41/532731441.db2.gz RFBBSZMSCIILEP-OAHLLOKOSA-N 1 2 386.279 2.255 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000442744673 532732856 /nfs/dbraw/zinc/73/28/56/532732856.db2.gz NBZOKCODUYQHRC-UHFFFAOYSA-N 1 2 379.463 2.278 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2cc(F)cc(Br)c2)CCO1 ZINC000494339152 532718681 /nfs/dbraw/zinc/71/86/81/532718681.db2.gz DIRRGFWUMNMSQL-OAHLLOKOSA-N 1 2 388.281 2.498 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(F)cc(Br)c2)CCO1 ZINC000494339152 532718686 /nfs/dbraw/zinc/71/86/86/532718686.db2.gz DIRRGFWUMNMSQL-OAHLLOKOSA-N 1 2 388.281 2.498 20 0 GEADLO Cc1cccc2cc(S(=O)(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)sc21 ZINC000645644317 532718936 /nfs/dbraw/zinc/71/89/36/532718936.db2.gz BCXSYVROXYZLNE-JKSUJKDBSA-N 1 2 380.535 2.429 20 0 GEADLO Cc1ccc(CN(C)c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)s1 ZINC000301170935 532743690 /nfs/dbraw/zinc/74/36/90/532743690.db2.gz UIFQQQDNQBPYMU-UHFFFAOYSA-N 1 2 380.539 2.024 20 0 GEADLO CN1C(=O)CC[C@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000502886482 532743870 /nfs/dbraw/zinc/74/38/70/532743870.db2.gz GVTJLLFFMOVANA-INIZCTEOSA-N 1 2 384.307 2.301 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000614606740 532744190 /nfs/dbraw/zinc/74/41/90/532744190.db2.gz UOIKBKCUWUNBND-GJZGRUSLSA-N 1 2 388.555 2.021 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000614606740 532744196 /nfs/dbraw/zinc/74/41/96/532744196.db2.gz UOIKBKCUWUNBND-GJZGRUSLSA-N 1 2 388.555 2.021 20 0 GEADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCS[C@@H](C)CC2)CC1 ZINC000410946727 532744863 /nfs/dbraw/zinc/74/48/63/532744863.db2.gz PJMDQGYAPRTGHX-GJZGRUSLSA-N 1 2 381.567 2.307 20 0 GEADLO CNS(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)nc1 ZINC000301196614 532745271 /nfs/dbraw/zinc/74/52/71/532745271.db2.gz ZELPKEOJMNJTPR-UHFFFAOYSA-N 1 2 386.930 2.027 20 0 GEADLO CC(=O)N1CC[NH+](CCNc2ccnc3c(Br)ccc(F)c23)CC1 ZINC000443517514 532748095 /nfs/dbraw/zinc/74/80/95/532748095.db2.gz QFDHPOVMMYJXQW-UHFFFAOYSA-N 1 2 395.276 2.134 20 0 GEADLO CN1CCC[C@H]([NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1=O ZINC000539802708 532733765 /nfs/dbraw/zinc/73/37/65/532733765.db2.gz JHTUJLNOWFPQEI-ZDUSSCGKSA-N 1 2 376.810 2.497 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000267157744 532735012 /nfs/dbraw/zinc/73/50/12/532735012.db2.gz PESANDDTKMHNDC-LBPRGKRZSA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000267157744 532735016 /nfs/dbraw/zinc/73/50/16/532735016.db2.gz PESANDDTKMHNDC-LBPRGKRZSA-N 1 2 379.295 2.349 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2F)CC[N@@H+]1CCOC ZINC000501172307 532737727 /nfs/dbraw/zinc/73/77/27/532737727.db2.gz FJGRICWUAHJAPD-AWEZNQCLSA-N 1 2 376.469 2.395 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2F)CC[N@H+]1CCOC ZINC000501172307 532737733 /nfs/dbraw/zinc/73/77/33/532737733.db2.gz FJGRICWUAHJAPD-AWEZNQCLSA-N 1 2 376.469 2.395 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000540349522 532737968 /nfs/dbraw/zinc/73/79/68/532737968.db2.gz WRESMPYYRXQYKD-INIZCTEOSA-N 1 2 382.346 2.287 20 0 GEADLO C[C@@H]1C[C@@H](CCNS(=O)(=O)NCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000443025294 532741034 /nfs/dbraw/zinc/74/10/34/532741034.db2.gz LZWZBPLXEZZCPK-UKRRQHHQSA-N 1 2 379.448 2.273 20 0 GEADLO C[C@@H]1C[C@@H](CCNS(=O)(=O)NCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000443025294 532741039 /nfs/dbraw/zinc/74/10/39/532741039.db2.gz LZWZBPLXEZZCPK-UKRRQHHQSA-N 1 2 379.448 2.273 20 0 GEADLO C[C@@H]1CCSCC[N@@H+]1CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000502835722 532741611 /nfs/dbraw/zinc/74/16/11/532741611.db2.gz GFCUMOJAXKNBDS-WBVHZDCISA-N 1 2 388.599 2.162 20 0 GEADLO C[C@@H]1CCSCC[N@H+]1CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000502835722 532741613 /nfs/dbraw/zinc/74/16/13/532741613.db2.gz GFCUMOJAXKNBDS-WBVHZDCISA-N 1 2 388.599 2.162 20 0 GEADLO C[C@@H](Nc1[nH+]cnc2c1c(Br)nn2C)C(=O)N1CCCC[C@@H]1C ZINC000301142277 532741944 /nfs/dbraw/zinc/74/19/44/532741944.db2.gz CLPHYKMPBHFTJV-VHSXEESVSA-N 1 2 381.278 2.327 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)S1 ZINC000301567467 532754262 /nfs/dbraw/zinc/75/42/62/532754262.db2.gz KCSUDJQJFYITKY-LLVKDONJSA-N 1 2 375.466 2.296 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000301598814 532754496 /nfs/dbraw/zinc/75/44/96/532754496.db2.gz XVZQPNXGQJNLDZ-LBPRGKRZSA-N 1 2 375.416 2.444 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCS[C@H](C)C2)cc1 ZINC000507689282 532758008 /nfs/dbraw/zinc/75/80/08/532758008.db2.gz RUPRDUZRFFBINE-CQSZACIVSA-N 1 2 385.555 2.093 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCS[C@H](C)C2)cc1 ZINC000507689282 532758010 /nfs/dbraw/zinc/75/80/10/532758010.db2.gz RUPRDUZRFFBINE-CQSZACIVSA-N 1 2 385.555 2.093 20 0 GEADLO CC(C)[NH+]1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451030534 532760619 /nfs/dbraw/zinc/76/06/19/532760619.db2.gz NUPNXXPONPDWGB-UHFFFAOYSA-N 1 2 379.295 2.444 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000507800670 532760760 /nfs/dbraw/zinc/76/07/60/532760760.db2.gz DSBLJCWQDATZPC-DOMZBBRYSA-N 1 2 397.317 2.101 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN([C@H](C)C(=O)NC(N)=O)CC1 ZINC000507800670 532760765 /nfs/dbraw/zinc/76/07/65/532760765.db2.gz DSBLJCWQDATZPC-DOMZBBRYSA-N 1 2 397.317 2.101 20 0 GEADLO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)Cc1c[nH+]cn1C ZINC000583043575 532762739 /nfs/dbraw/zinc/76/27/39/532762739.db2.gz SXDWKBCMTBXVSO-UHFFFAOYSA-N 1 2 394.269 2.317 20 0 GEADLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cncc(Br)c2)CC1 ZINC000301390756 532750177 /nfs/dbraw/zinc/75/01/77/532750177.db2.gz AMMPZPGIAPZCPR-CYBMUJFWSA-N 1 2 381.318 2.413 20 0 GEADLO CCC[C@@H](CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)c1ccc(Cl)cc1Cl ZINC000444707567 532750527 /nfs/dbraw/zinc/75/05/27/532750527.db2.gz YMTGRWGRYNKKPF-KNXALSJPSA-N 1 2 375.296 2.031 20 0 GEADLO CCC[C@@H](CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)c1ccc(Cl)cc1Cl ZINC000444707567 532750533 /nfs/dbraw/zinc/75/05/33/532750533.db2.gz YMTGRWGRYNKKPF-KNXALSJPSA-N 1 2 375.296 2.031 20 0 GEADLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc3nnnn3n2)CC1 ZINC000301414356 532751056 /nfs/dbraw/zinc/75/10/56/532751056.db2.gz ADZQXQBATDCKPL-GFCCVEGCSA-N 1 2 388.273 2.165 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2Cl)C1 ZINC000411270577 532752703 /nfs/dbraw/zinc/75/27/03/532752703.db2.gz GFKRAOIOOYKMJP-JTQLQIEISA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2Cl)C1 ZINC000411270577 532752706 /nfs/dbraw/zinc/75/27/06/532752706.db2.gz GFKRAOIOOYKMJP-JTQLQIEISA-N 1 2 396.738 2.108 20 0 GEADLO Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c(C)[nH+]1 ZINC000267969338 532752736 /nfs/dbraw/zinc/75/27/36/532752736.db2.gz BLMBBJMSQCAEOQ-UHFFFAOYSA-N 1 2 381.479 2.033 20 0 GEADLO CCNC(=O)C[NH+]1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1 ZINC000301530853 532753121 /nfs/dbraw/zinc/75/31/21/532753121.db2.gz RVAVORKRDKMVAB-UHFFFAOYSA-N 1 2 395.276 2.395 20 0 GEADLO CSC[C@](C)(O)CNc1nc(NC[C@](C)(O)CSC)[nH+]cc1Cl ZINC000269025957 532775074 /nfs/dbraw/zinc/77/50/74/532775074.db2.gz HGJJMXLWUAGZOG-KGLIPLIRSA-N 1 2 380.967 2.182 20 0 GEADLO COC(=O)c1cccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1Cl ZINC000411832802 532776487 /nfs/dbraw/zinc/77/64/87/532776487.db2.gz FWPDZQBERUDVFA-UHFFFAOYSA-N 1 2 386.901 2.127 20 0 GEADLO C[C@@H]1CN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC[C@H]1[NH3+] ZINC000269172040 532776795 /nfs/dbraw/zinc/77/67/95/532776795.db2.gz AGWWELOBUVJSRJ-IUODEOHRSA-N 1 2 379.507 2.358 20 0 GEADLO C[C@@H]([NH2+]Cc1ncc(I)s1)C(=O)N1CCCCC1 ZINC000310665274 532777395 /nfs/dbraw/zinc/77/73/95/532777395.db2.gz ZZVHBKQHJSILKB-SECBINFHSA-N 1 2 379.267 2.238 20 0 GEADLO CC[C@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1cccc(S(N)(=O)=O)c1 ZINC000542134627 532765185 /nfs/dbraw/zinc/76/51/85/532765185.db2.gz MABKVKAMVMICTH-NSHDSACASA-N 1 2 378.376 2.063 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2ccc(Br)cc2)C1=O ZINC000542156848 532765259 /nfs/dbraw/zinc/76/52/59/532765259.db2.gz NAIUGIGJDPPLGL-CQSZACIVSA-N 1 2 391.269 2.104 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000509374424 532767410 /nfs/dbraw/zinc/76/74/10/532767410.db2.gz UOFOAMBMGUTMDM-CYBMUJFWSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000509374424 532767411 /nfs/dbraw/zinc/76/74/11/532767411.db2.gz UOFOAMBMGUTMDM-CYBMUJFWSA-N 1 2 386.901 2.127 20 0 GEADLO CSc1cccc(S(=O)(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000509403892 532768625 /nfs/dbraw/zinc/76/86/25/532768625.db2.gz WBXLGENPVJVKIY-UHFFFAOYSA-N 1 2 379.507 2.119 20 0 GEADLO Cc1cc(Br)ccc1CNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000302543371 532771671 /nfs/dbraw/zinc/77/16/71/532771671.db2.gz GGYSVLNMFBUEIW-UHFFFAOYSA-N 1 2 390.285 2.438 20 0 GEADLO Cc1cc(Br)ccc1CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000302543371 532771672 /nfs/dbraw/zinc/77/16/72/532771672.db2.gz GGYSVLNMFBUEIW-UHFFFAOYSA-N 1 2 390.285 2.438 20 0 GEADLO O=S(=O)(NCC[NH+]1CCC1)c1cc(C(F)(F)F)ccc1Br ZINC000542464870 532772226 /nfs/dbraw/zinc/77/22/26/532772226.db2.gz MIEJFRWKYDNLFI-UHFFFAOYSA-N 1 2 387.221 2.452 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(Nc2ncc(Br)cc2Cl)CC1 ZINC000302741235 532773475 /nfs/dbraw/zinc/77/34/75/532773475.db2.gz QRSCEIYXZHPNMC-UHFFFAOYSA-N 1 2 396.738 2.418 20 0 GEADLO COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC000456737254 532783580 /nfs/dbraw/zinc/78/35/80/532783580.db2.gz XSIAQUHOQHMNAT-CYBMUJFWSA-N 1 2 396.285 2.012 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)N(C)c2nc3ccccc3s2)C1 ZINC000412065805 532784502 /nfs/dbraw/zinc/78/45/02/532784502.db2.gz DZCPECBGXJEJNU-LBPRGKRZSA-N 1 2 379.507 2.097 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)N(C)c2nc3ccccc3s2)C1 ZINC000412065805 532784506 /nfs/dbraw/zinc/78/45/06/532784506.db2.gz DZCPECBGXJEJNU-LBPRGKRZSA-N 1 2 379.507 2.097 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+]([C@H](C)C(=O)Nc2nc3ccccc3s2)C1 ZINC000412069633 532784514 /nfs/dbraw/zinc/78/45/14/532784514.db2.gz HOVRGQJDWJZIQA-VXGBXAGGSA-N 1 2 379.507 2.461 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+]([C@H](C)C(=O)Nc2nc3ccccc3s2)C1 ZINC000412069633 532784516 /nfs/dbraw/zinc/78/45/16/532784516.db2.gz HOVRGQJDWJZIQA-VXGBXAGGSA-N 1 2 379.507 2.461 20 0 GEADLO Cn1nnc2cc(C[N@H+](C)[C@H](C(N)=O)c3cccc(Br)c3)ccc21 ZINC000545948782 532784996 /nfs/dbraw/zinc/78/49/96/532784996.db2.gz KOPKQCUTRNMJHD-INIZCTEOSA-N 1 2 388.269 2.389 20 0 GEADLO Cn1nnc2cc(C[N@@H+](C)[C@H](C(N)=O)c3cccc(Br)c3)ccc21 ZINC000545948782 532784998 /nfs/dbraw/zinc/78/49/98/532784998.db2.gz KOPKQCUTRNMJHD-INIZCTEOSA-N 1 2 388.269 2.389 20 0 GEADLO C[C@@H]1CCSCCN1C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000550044048 532796744 /nfs/dbraw/zinc/79/67/44/532796744.db2.gz FGKYDWBOIXDCNN-CZUORRHYSA-N 1 2 383.945 2.413 20 0 GEADLO Cc1nc(N2CCn3c(nnc3C(F)(F)F)C2)c(Br)c(C)[nH+]1 ZINC000322841406 532788061 /nfs/dbraw/zinc/78/80/61/532788061.db2.gz QHWZUFSPMMCUMO-UHFFFAOYSA-N 1 2 377.168 2.486 20 0 GEADLO CCS(=O)(=O)CC[N@H+](C)CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000270374464 532796819 /nfs/dbraw/zinc/79/68/19/532796819.db2.gz INVTZFHEBXQZBL-UHFFFAOYSA-N 1 2 392.905 2.052 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)COc2c(Cl)cccc2Cl)C1 ZINC000412373483 532789845 /nfs/dbraw/zinc/78/98/45/532789845.db2.gz RZCPVRVABZWDIK-LBPRGKRZSA-N 1 2 389.279 2.373 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)COc2c(Cl)cccc2Cl)C1 ZINC000412373483 532789847 /nfs/dbraw/zinc/78/98/47/532789847.db2.gz RZCPVRVABZWDIK-LBPRGKRZSA-N 1 2 389.279 2.373 20 0 GEADLO C[NH+](C)Cc1csc(NC(=O)c2ccc(I)cn2)n1 ZINC000457297609 532790235 /nfs/dbraw/zinc/79/02/35/532790235.db2.gz UBLJIGSMKGJATJ-UHFFFAOYSA-N 1 2 388.234 2.457 20 0 GEADLO CCS(=O)(=O)CC[N@@H+](C)CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000270374464 532796822 /nfs/dbraw/zinc/79/68/22/532796822.db2.gz INVTZFHEBXQZBL-UHFFFAOYSA-N 1 2 392.905 2.052 20 0 GEADLO C[NH+](C)Cc1csc(NC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)n1 ZINC000457317530 532790294 /nfs/dbraw/zinc/79/02/94/532790294.db2.gz SABZJEAAEGBGDR-OAHLLOKOSA-N 1 2 381.523 2.362 20 0 GEADLO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cnc1Br ZINC000287319889 532791251 /nfs/dbraw/zinc/79/12/51/532791251.db2.gz XIGPDMLQYXLIJJ-GXTWGEPZSA-N 1 2 383.290 2.479 20 0 GEADLO COc1cc(Cl)c(Br)cc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000412426996 532791479 /nfs/dbraw/zinc/79/14/79/532791479.db2.gz IUDADZMHEZZWIX-OCCSQVGLSA-N 1 2 389.677 2.266 20 0 GEADLO COc1cc(Cl)c(Br)cc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000412426996 532791483 /nfs/dbraw/zinc/79/14/83/532791483.db2.gz IUDADZMHEZZWIX-OCCSQVGLSA-N 1 2 389.677 2.266 20 0 GEADLO CCN1CCN(C(=O)c2cccc(Br)c2O)C[C@H]1c1[nH]cc[nH+]1 ZINC000548677538 532793142 /nfs/dbraw/zinc/79/31/42/532793142.db2.gz RAKSHSQYDQGXBH-ZDUSSCGKSA-N 1 2 379.258 2.397 20 0 GEADLO C[C@H]1CCSCCN1C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000550044049 532796927 /nfs/dbraw/zinc/79/69/27/532796927.db2.gz FGKYDWBOIXDCNN-XJKSGUPXSA-N 1 2 383.945 2.413 20 0 GEADLO CCC[C@H](O)[C@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000412522272 532794310 /nfs/dbraw/zinc/79/43/10/532794310.db2.gz JKOFQGKDJFAOSB-YESZJQIVSA-N 1 2 399.329 2.224 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000287432372 532795428 /nfs/dbraw/zinc/79/54/28/532795428.db2.gz QSEDYZNKINETSY-XJKSGUPXSA-N 1 2 394.313 2.197 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000269315684 532780298 /nfs/dbraw/zinc/78/02/98/532780298.db2.gz KBJMKZGFUHNJPR-GFCCVEGCSA-N 1 2 379.258 2.406 20 0 GEADLO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000287046130 532780522 /nfs/dbraw/zinc/78/05/22/532780522.db2.gz IRTIIBHBGMTJGX-LSDHHAIUSA-N 1 2 385.555 2.009 20 0 GEADLO CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000411933903 532781465 /nfs/dbraw/zinc/78/14/65/532781465.db2.gz BVBXKOQDOKAPBD-SECBINFHSA-N 1 2 390.228 2.076 20 0 GEADLO CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000411933903 532781467 /nfs/dbraw/zinc/78/14/67/532781467.db2.gz BVBXKOQDOKAPBD-SECBINFHSA-N 1 2 390.228 2.076 20 0 GEADLO COC(=O)C1(CS(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCCC1 ZINC000554895886 532805979 /nfs/dbraw/zinc/80/59/79/532805979.db2.gz RSEASLCNIINPAN-UHFFFAOYSA-N 1 2 385.873 2.141 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)c3nccn4c(Br)cnc34)sc2C1 ZINC000271273626 532806561 /nfs/dbraw/zinc/80/65/61/532806561.db2.gz OXXBFDQYQNNHJB-UHFFFAOYSA-N 1 2 393.270 2.189 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)c3nccn4c(Br)cnc34)sc2C1 ZINC000271273626 532806565 /nfs/dbraw/zinc/80/65/65/532806565.db2.gz OXXBFDQYQNNHJB-UHFFFAOYSA-N 1 2 393.270 2.189 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000554953499 532807148 /nfs/dbraw/zinc/80/71/48/532807148.db2.gz AFOHFUMRSACGLW-LBPRGKRZSA-N 1 2 380.432 2.260 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)C[C@@H]12 ZINC000329468473 532807252 /nfs/dbraw/zinc/80/72/52/532807252.db2.gz XJFSXJJVDPHVSD-BSNNYGBQSA-N 1 2 376.265 2.177 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)C[C@@H]12 ZINC000329468473 532807256 /nfs/dbraw/zinc/80/72/56/532807256.db2.gz XJFSXJJVDPHVSD-BSNNYGBQSA-N 1 2 376.265 2.177 20 0 GEADLO CCSc1nnc(NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)s1 ZINC000329487970 532808024 /nfs/dbraw/zinc/80/80/24/532808024.db2.gz UGXCLASWXASBLU-UHFFFAOYSA-N 1 2 384.556 2.765 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](CNc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000413204674 532808112 /nfs/dbraw/zinc/80/81/12/532808112.db2.gz OICQTMDOBPQGQC-NSHDSACASA-N 1 2 384.299 2.691 20 0 GEADLO O=C(c1n[nH]c2ccc(Br)cc21)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000329581261 532808478 /nfs/dbraw/zinc/80/84/78/532808478.db2.gz XCOCHPIWLKYYEY-UHFFFAOYSA-N 1 2 389.257 2.007 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000555680250 532808849 /nfs/dbraw/zinc/80/88/49/532808849.db2.gz HECZGBCVJLXXIC-LSDHHAIUSA-N 1 2 392.297 2.175 20 0 GEADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ncc(Br)cn3)[nH+]cn2)C1 ZINC000413307691 532810056 /nfs/dbraw/zinc/81/00/56/532810056.db2.gz YYYQISLTLHMHKP-SDDRHHMPSA-N 1 2 393.289 2.409 20 0 GEADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ncc(Br)cn3)nc[nH+]2)C1 ZINC000413307691 532810061 /nfs/dbraw/zinc/81/00/61/532810061.db2.gz YYYQISLTLHMHKP-SDDRHHMPSA-N 1 2 393.289 2.409 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@]2(O)CCOC2)CC1 ZINC000413357188 532810693 /nfs/dbraw/zinc/81/06/93/532810693.db2.gz DBRAWNCLMGITEC-WMZOPIPTSA-N 1 2 397.313 2.196 20 0 GEADLO CC(=O)N[C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000550112116 532797549 /nfs/dbraw/zinc/79/75/49/532797549.db2.gz LVCQOVQXYYEFQU-ZDUSSCGKSA-N 1 2 393.285 2.199 20 0 GEADLO COc1ccc(Br)c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000287496309 532797846 /nfs/dbraw/zinc/79/78/46/532797846.db2.gz UKZDJVMCZARRFH-CHWSQXEVSA-N 1 2 383.286 2.393 20 0 GEADLO O=c1n(CC[N@H+]2CCC[C@H]2c2ccc(Br)cn2)nc2ccccn21 ZINC000550078898 532797920 /nfs/dbraw/zinc/79/79/20/532797920.db2.gz FNVIPKWLDSOZJC-HNNXBMFYSA-N 1 2 388.269 2.491 20 0 GEADLO O=c1n(CC[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)nc2ccccn21 ZINC000550078898 532797924 /nfs/dbraw/zinc/79/79/24/532797924.db2.gz FNVIPKWLDSOZJC-HNNXBMFYSA-N 1 2 388.269 2.491 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](Cc3nc(-c4cccc(Br)c4)no3)C[C@@H]12 ZINC000328868211 532799246 /nfs/dbraw/zinc/79/92/46/532799246.db2.gz CKGDOCXORZCIBC-NSHDSACASA-N 1 2 392.213 2.075 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](Cc3nc(-c4cccc(Br)c4)no3)C[C@@H]12 ZINC000328868211 532799249 /nfs/dbraw/zinc/79/92/49/532799249.db2.gz CKGDOCXORZCIBC-NSHDSACASA-N 1 2 392.213 2.075 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000287550102 532799388 /nfs/dbraw/zinc/79/93/88/532799388.db2.gz ULABVNRXNXAWPA-UHFFFAOYSA-N 1 2 391.269 2.100 20 0 GEADLO Cc1c(S(=O)(=O)NCCCn2cc[nH+]c2)cnn1-c1ccc(Cl)cc1 ZINC000271651554 532811125 /nfs/dbraw/zinc/81/11/25/532811125.db2.gz VSUDXFRNKGAHIO-UHFFFAOYSA-N 1 2 379.873 2.399 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000287614327 532802942 /nfs/dbraw/zinc/80/29/42/532802942.db2.gz DXRTVQXMTMLNGM-CQSZACIVSA-N 1 2 393.289 2.009 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@H](NS(=O)(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000329863149 532812561 /nfs/dbraw/zinc/81/25/61/532812561.db2.gz YYIVNKSRVTXRNL-IAGOWNOFSA-N 1 2 387.933 2.078 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@H](NS(=O)(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000329863149 532812564 /nfs/dbraw/zinc/81/25/64/532812564.db2.gz YYIVNKSRVTXRNL-IAGOWNOFSA-N 1 2 387.933 2.078 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCSc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000329922489 532813398 /nfs/dbraw/zinc/81/33/98/532813398.db2.gz TZHHACTWMUDDRX-HNNXBMFYSA-N 1 2 385.555 2.069 20 0 GEADLO C[C@H]1COCC[N@H+]1CCSc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000329922489 532813399 /nfs/dbraw/zinc/81/33/99/532813399.db2.gz TZHHACTWMUDDRX-HNNXBMFYSA-N 1 2 385.555 2.069 20 0 GEADLO Cn1cc(Br)cc(NC(=O)C2CC[NH+](CC(F)F)CC2)c1=O ZINC000287982374 532814217 /nfs/dbraw/zinc/81/42/17/532814217.db2.gz ZVJLOVJSAZWJHZ-UHFFFAOYSA-N 1 2 378.217 2.063 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000330421448 532817886 /nfs/dbraw/zinc/81/78/86/532817886.db2.gz RRHWJMQOCOADTA-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000330421448 532817888 /nfs/dbraw/zinc/81/78/88/532817888.db2.gz RRHWJMQOCOADTA-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000272513579 532816557 /nfs/dbraw/zinc/81/65/57/532816557.db2.gz YPWRRABPAKLPFK-ZDUSSCGKSA-N 1 2 382.251 2.332 20 0 GEADLO C[C@@H]1CCN(C(=O)NCCn2cc(Br)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000288080931 532816713 /nfs/dbraw/zinc/81/67/13/532816713.db2.gz HDNAPILPWBQNAG-OCCSQVGLSA-N 1 2 381.278 2.135 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N(CCO)C3CC3)[nH+]c12 ZINC000273415705 532823688 /nfs/dbraw/zinc/82/36/88/532823688.db2.gz FNJGIQNOTQVMRE-UHFFFAOYSA-N 1 2 381.274 2.114 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CCCOC3)[nH+]c12 ZINC000273289078 532822316 /nfs/dbraw/zinc/82/23/16/532822316.db2.gz MLGIYFJJQABAEK-AWEZNQCLSA-N 1 2 381.274 2.426 20 0 GEADLO CCN(C1CC[NH+](Cc2cccc3c2OC(F)(F)O3)CC1)S(C)(=O)=O ZINC000414389404 532824117 /nfs/dbraw/zinc/82/41/17/532824117.db2.gz QXLXPMDBALEYGL-UHFFFAOYSA-N 1 2 376.425 2.254 20 0 GEADLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(Br)o2)C[C@H](C)O1 ZINC000330799319 532826954 /nfs/dbraw/zinc/82/69/54/532826954.db2.gz BTQWCVORSIFQDR-PHIMTYICSA-N 1 2 395.319 2.208 20 0 GEADLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(Br)o2)C[C@H](C)O1 ZINC000330799319 532826955 /nfs/dbraw/zinc/82/69/55/532826955.db2.gz BTQWCVORSIFQDR-PHIMTYICSA-N 1 2 395.319 2.208 20 0 GEADLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414441609 532827460 /nfs/dbraw/zinc/82/74/60/532827460.db2.gz JSAFAGPMNGYZLQ-QGZVFWFLSA-N 1 2 388.555 2.047 20 0 GEADLO Cc1cc(Br)cn2cc(CNS(=O)(=O)C[C@@H]3CCCO3)[nH+]c12 ZINC000273616511 532828297 /nfs/dbraw/zinc/82/82/97/532828297.db2.gz PTPYSNOWGQVAGW-ZDUSSCGKSA-N 1 2 388.287 2.004 20 0 GEADLO CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(C[NH+](C)C)cs2)c1 ZINC000414458499 532828294 /nfs/dbraw/zinc/82/82/94/532828294.db2.gz MQPRJZQTGKTZSF-UHFFFAOYSA-N 1 2 382.511 2.097 20 0 GEADLO COc1ccc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)c(Br)c1OC ZINC000330849463 532828377 /nfs/dbraw/zinc/82/83/77/532828377.db2.gz DJYJBIHABJROIS-LLVKDONJSA-N 1 2 392.315 2.333 20 0 GEADLO COc1ccc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c(Br)c1OC ZINC000330849463 532828379 /nfs/dbraw/zinc/82/83/79/532828379.db2.gz DJYJBIHABJROIS-LLVKDONJSA-N 1 2 392.315 2.333 20 0 GEADLO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1Br ZINC000330904832 532830049 /nfs/dbraw/zinc/83/00/49/532830049.db2.gz UNARAPHNQWXZHY-GFCCVEGCSA-N 1 2 391.331 2.004 20 0 GEADLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC000330899775 532829218 /nfs/dbraw/zinc/82/92/18/532829218.db2.gz QBOGOZCYFJGEFL-PHIMTYICSA-N 1 2 380.432 2.270 20 0 GEADLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC000330899775 532829225 /nfs/dbraw/zinc/82/92/25/532829225.db2.gz QBOGOZCYFJGEFL-PHIMTYICSA-N 1 2 380.432 2.270 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)Cn1cc[nH+]c1 ZINC000414468122 532829672 /nfs/dbraw/zinc/82/96/72/532829672.db2.gz JPDHHBGCOLFDDU-GFCCVEGCSA-N 1 2 377.388 2.439 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1ncsc1Br ZINC000288675944 532834740 /nfs/dbraw/zinc/83/47/40/532834740.db2.gz PZQXSSVTAGOVJQ-UHFFFAOYSA-N 1 2 383.271 2.067 20 0 GEADLO CCN(CC1CC1)C(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000288603525 532833143 /nfs/dbraw/zinc/83/31/43/532833143.db2.gz PTERNCMWIHMPOF-UHFFFAOYSA-N 1 2 393.285 2.280 20 0 GEADLO CC(C)CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000331123349 532833749 /nfs/dbraw/zinc/83/37/49/532833749.db2.gz NMZFAXBUEVVZHC-AWEZNQCLSA-N 1 2 376.469 2.068 20 0 GEADLO C[N@H+](Cc1ccc(Br)cc1Cl)CC1(O)CCS(=O)(=O)CC1 ZINC000331188140 532835078 /nfs/dbraw/zinc/83/50/78/532835078.db2.gz VLJSVJDPABACSX-UHFFFAOYSA-N 1 2 396.734 2.474 20 0 GEADLO C[N@@H+](Cc1ccc(Br)cc1Cl)CC1(O)CCS(=O)(=O)CC1 ZINC000331188140 532835081 /nfs/dbraw/zinc/83/50/81/532835081.db2.gz VLJSVJDPABACSX-UHFFFAOYSA-N 1 2 396.734 2.474 20 0 GEADLO CC(C)c1nnc(NC(=O)C[N@H+](C)CCn2cc(Br)cn2)s1 ZINC000288708665 532835463 /nfs/dbraw/zinc/83/54/63/532835463.db2.gz FEJVIXIGUWTANK-UHFFFAOYSA-N 1 2 387.307 2.191 20 0 GEADLO CC(C)c1nnc(NC(=O)C[N@@H+](C)CCn2cc(Br)cn2)s1 ZINC000288708665 532835466 /nfs/dbraw/zinc/83/54/66/532835466.db2.gz FEJVIXIGUWTANK-UHFFFAOYSA-N 1 2 387.307 2.191 20 0 GEADLO CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000331381764 532838824 /nfs/dbraw/zinc/83/88/24/532838824.db2.gz GSYSDADKNUBNNQ-UHFFFAOYSA-N 1 2 386.880 2.478 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)Oc1cc(F)cc(Br)c1 ZINC000274202584 532844139 /nfs/dbraw/zinc/84/41/39/532844139.db2.gz IVPZHAUWFYSPFP-UHFFFAOYSA-N 1 2 382.251 2.019 20 0 GEADLO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]Cc2cncc(Br)c2)CC(=O)N1C ZINC000332017306 532848116 /nfs/dbraw/zinc/84/81/16/532848116.db2.gz PGJRYMKCFFVIKZ-RHSMWYFYSA-N 1 2 392.301 2.256 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000274344235 532847822 /nfs/dbraw/zinc/84/78/22/532847822.db2.gz VBAFILXMLUZFAS-UHFFFAOYSA-N 1 2 391.555 2.004 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000274344235 532847825 /nfs/dbraw/zinc/84/78/25/532847825.db2.gz VBAFILXMLUZFAS-UHFFFAOYSA-N 1 2 391.555 2.004 20 0 GEADLO Cc1n[nH]cc1CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274350944 532848525 /nfs/dbraw/zinc/84/85/25/532848525.db2.gz GIUBCHMDPJMGTP-UHFFFAOYSA-N 1 2 391.273 2.479 20 0 GEADLO NC(=O)N[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000289212888 532850111 /nfs/dbraw/zinc/85/01/11/532850111.db2.gz IRQICXUDWOLUFG-NSHDSACASA-N 1 2 377.080 2.454 20 0 GEADLO NC(=O)N[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000289212888 532850113 /nfs/dbraw/zinc/85/01/13/532850113.db2.gz IRQICXUDWOLUFG-NSHDSACASA-N 1 2 377.080 2.454 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000289428921 532854407 /nfs/dbraw/zinc/85/44/07/532854407.db2.gz CXNGWGQFFRPMPK-LBPRGKRZSA-N 1 2 376.254 2.451 20 0 GEADLO O[C@H](C[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccc(F)c(Br)c1 ZINC000274843457 532857913 /nfs/dbraw/zinc/85/79/13/532857913.db2.gz OXDOKUKMFCATKB-OAHLLOKOSA-N 1 2 399.239 2.373 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1Br ZINC000332681463 532860035 /nfs/dbraw/zinc/86/00/35/532860035.db2.gz RLMAUWJGGZLVTM-CYBMUJFWSA-N 1 2 384.274 2.396 20 0 GEADLO O=C(NC[C@H]1COCCO1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000332697261 532860732 /nfs/dbraw/zinc/86/07/32/532860732.db2.gz ZTTWUNMRMOXRDO-HOTGVXAUSA-N 1 2 383.286 2.118 20 0 GEADLO Cc1nc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)ccc1I ZINC000332729783 532861390 /nfs/dbraw/zinc/86/13/90/532861390.db2.gz ZKQBCUXKPAZMMZ-SNVBAGLBSA-N 1 2 382.205 2.392 20 0 GEADLO CN(C)S(=O)(=O)CC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000289709885 532863651 /nfs/dbraw/zinc/86/36/51/532863651.db2.gz UFPIPLPESLIMKJ-UHFFFAOYSA-N 1 2 389.930 2.357 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)Cc2cc(Cl)c(Br)cc2F)C1 ZINC000416162720 532866107 /nfs/dbraw/zinc/86/61/07/532866107.db2.gz VXBLZFBHNWGJNI-NSHDSACASA-N 1 2 392.700 2.146 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Cc2cc(Cl)c(Br)cc2F)C1 ZINC000416162720 532866110 /nfs/dbraw/zinc/86/61/10/532866110.db2.gz VXBLZFBHNWGJNI-NSHDSACASA-N 1 2 392.700 2.146 20 0 GEADLO O=C(c1cc(F)cc(Br)c1O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000416230477 532867940 /nfs/dbraw/zinc/86/79/40/532867940.db2.gz YOJKCOSRGHYWGO-CQSZACIVSA-N 1 2 380.217 2.476 20 0 GEADLO Cc1nc2cc(Br)cc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2o1 ZINC000333467776 532868831 /nfs/dbraw/zinc/86/88/31/532868831.db2.gz FKUFDRINFWLSIO-ZIAGYGMSSA-N 1 2 395.257 2.445 20 0 GEADLO Cc1nc2cc(Br)cc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2o1 ZINC000333467776 532868835 /nfs/dbraw/zinc/86/88/35/532868835.db2.gz FKUFDRINFWLSIO-ZIAGYGMSSA-N 1 2 395.257 2.445 20 0 GEADLO C[NH+](C)C1(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 ZINC000416288528 532869704 /nfs/dbraw/zinc/86/97/04/532869704.db2.gz HDLFQMHWMUERAH-UHFFFAOYSA-N 1 2 379.507 2.373 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@H]1C[C@@]12CCOC2 ZINC000333537436 532870215 /nfs/dbraw/zinc/87/02/15/532870215.db2.gz RHTLBRLJLWBMAQ-BDJLRTHQSA-N 1 2 382.258 2.046 20 0 GEADLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)O1 ZINC000333544249 532870424 /nfs/dbraw/zinc/87/04/24/532870424.db2.gz SOPMRGYCMHLUNO-HFAKWTLXSA-N 1 2 384.274 2.433 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000333642970 532871499 /nfs/dbraw/zinc/87/14/99/532871499.db2.gz JEFYARJRIVIAQA-FZMZJTMJSA-N 1 2 383.290 2.479 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000290098990 532872431 /nfs/dbraw/zinc/87/24/31/532872431.db2.gz FFIFDFSDRQDYLJ-MLGOLLRUSA-N 1 2 376.881 2.104 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000333725495 532872508 /nfs/dbraw/zinc/87/25/08/532872508.db2.gz KHUNKUFHHMBLMO-LBPRGKRZSA-N 1 2 395.301 2.266 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000290087954 532872217 /nfs/dbraw/zinc/87/22/17/532872217.db2.gz RBROMWUDITZGSQ-UHFFFAOYSA-N 1 2 389.308 2.266 20 0 GEADLO COc1cc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1Cl ZINC000416370197 532872716 /nfs/dbraw/zinc/87/27/16/532872716.db2.gz GYJXNFOBIJHCGX-CHWSQXEVSA-N 1 2 376.906 2.126 20 0 GEADLO C[C@H]1COCC[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333746256 532872811 /nfs/dbraw/zinc/87/28/11/532872811.db2.gz YVQXXXYGPOJGMI-AAEUAGOBSA-N 1 2 399.289 2.227 20 0 GEADLO COC(=O)CC[NH+]1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000416373362 532873279 /nfs/dbraw/zinc/87/32/79/532873279.db2.gz QQJAMEOLWDVOGA-UHFFFAOYSA-N 1 2 395.308 2.004 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000290197185 532875345 /nfs/dbraw/zinc/87/53/45/532875345.db2.gz UJMZBXPFORBWOX-UHFFFAOYSA-N 1 2 383.279 2.434 20 0 GEADLO O=S1(=O)CCCN1C1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000333937428 532876136 /nfs/dbraw/zinc/87/61/36/532876136.db2.gz LNOOJMDWQMGQTK-UHFFFAOYSA-N 1 2 389.315 2.155 20 0 GEADLO CC[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1nc(C(F)(F)F)cs1 ZINC000334024838 532877615 /nfs/dbraw/zinc/87/76/15/532877615.db2.gz GKJXZWXAENRHHM-MXWKQRLJSA-N 1 2 378.420 2.337 20 0 GEADLO CC[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1nc(C(F)(F)F)cs1 ZINC000334024838 532877617 /nfs/dbraw/zinc/87/76/17/532877617.db2.gz GKJXZWXAENRHHM-MXWKQRLJSA-N 1 2 378.420 2.337 20 0 GEADLO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)s1 ZINC000334055632 532878100 /nfs/dbraw/zinc/87/81/00/532878100.db2.gz UZNQORJHEKWQQE-UHFFFAOYSA-N 1 2 383.461 2.470 20 0 GEADLO CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000334047564 532878176 /nfs/dbraw/zinc/87/81/76/532878176.db2.gz HHKORZRGUNRIMP-AAEUAGOBSA-N 1 2 383.290 2.088 20 0 GEADLO CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000334047564 532878182 /nfs/dbraw/zinc/87/81/82/532878182.db2.gz HHKORZRGUNRIMP-AAEUAGOBSA-N 1 2 383.290 2.088 20 0 GEADLO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000290346559 532878522 /nfs/dbraw/zinc/87/85/22/532878522.db2.gz FBFLIUBJDQOAAG-AWEZNQCLSA-N 1 2 392.301 2.378 20 0 GEADLO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000290346559 532878524 /nfs/dbraw/zinc/87/85/24/532878524.db2.gz FBFLIUBJDQOAAG-AWEZNQCLSA-N 1 2 392.301 2.378 20 0 GEADLO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000348986390 532879926 /nfs/dbraw/zinc/87/99/26/532879926.db2.gz NYCHBUYEMCARHM-FZMZJTMJSA-N 1 2 375.226 2.323 20 0 GEADLO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000348986390 532879928 /nfs/dbraw/zinc/87/99/28/532879928.db2.gz NYCHBUYEMCARHM-FZMZJTMJSA-N 1 2 375.226 2.323 20 0 GEADLO CSc1nnc(CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)s1 ZINC000275732478 532882421 /nfs/dbraw/zinc/88/24/21/532882421.db2.gz KDVBVWNFFVHYQW-UHFFFAOYSA-N 1 2 380.499 2.122 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000290410677 532880038 /nfs/dbraw/zinc/88/00/38/532880038.db2.gz MTIJRWJEWBCCEA-UHFFFAOYSA-N 1 2 394.273 2.341 20 0 GEADLO O=C1N[C@H](c2ccsc2)C(=O)N1C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000349356873 532880510 /nfs/dbraw/zinc/88/05/10/532880510.db2.gz XCXRLMYNYHDAPC-UKRRQHHQSA-N 1 2 377.491 2.476 20 0 GEADLO O=C(c1cc(Cl)ncc1Br)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000290663265 532886114 /nfs/dbraw/zinc/88/61/14/532886114.db2.gz AWQAYBRRMSTTLC-NSHDSACASA-N 1 2 388.693 2.434 20 0 GEADLO COc1ccc(CNc2[nH+]cnc3c2c(Br)nn3C)c(OC)n1 ZINC000290685176 532886777 /nfs/dbraw/zinc/88/67/77/532886777.db2.gz JDRCOEFLBSIOJH-UHFFFAOYSA-N 1 2 379.218 2.150 20 0 GEADLO CC1(C)C[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H](CO)O1 ZINC000420941603 532887523 /nfs/dbraw/zinc/88/75/23/532887523.db2.gz PHADNJJTCUBEMD-GJZGRUSLSA-N 1 2 383.286 2.026 20 0 GEADLO CC1(C)C[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H](CO)O1 ZINC000420941603 532887525 /nfs/dbraw/zinc/88/75/25/532887525.db2.gz PHADNJJTCUBEMD-GJZGRUSLSA-N 1 2 383.286 2.026 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000420951360 532887633 /nfs/dbraw/zinc/88/76/33/532887633.db2.gz QSCTVAAYMVQMEF-BFHYXJOUSA-N 1 2 384.464 2.075 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000420951360 532887636 /nfs/dbraw/zinc/88/76/36/532887636.db2.gz QSCTVAAYMVQMEF-BFHYXJOUSA-N 1 2 384.464 2.075 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N(C)CCCCO)[nH+]c12 ZINC000276379115 532895003 /nfs/dbraw/zinc/89/50/03/532895003.db2.gz CSOVONTVZJDPDY-UHFFFAOYSA-N 1 2 383.290 2.362 20 0 GEADLO C[C@H]1C[N@H+](CCSc2ccc(S(=O)(=O)N3CCCCC3)cn2)CCO1 ZINC000276381257 532894723 /nfs/dbraw/zinc/89/47/23/532894723.db2.gz SNOFIGCTNKQSPQ-HNNXBMFYSA-N 1 2 385.555 2.069 20 0 GEADLO C[C@H]1C[N@@H+](CCSc2ccc(S(=O)(=O)N3CCCCC3)cn2)CCO1 ZINC000276381257 532894724 /nfs/dbraw/zinc/89/47/24/532894724.db2.gz SNOFIGCTNKQSPQ-HNNXBMFYSA-N 1 2 385.555 2.069 20 0 GEADLO NC(=O)C1=NO[C@H](C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000276400142 532895152 /nfs/dbraw/zinc/89/51/52/532895152.db2.gz CZUCQNWTFPHXFT-LBPRGKRZSA-N 1 2 395.282 2.292 20 0 GEADLO CC(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(N(C)C)nc3)sc2C1 ZINC000291028394 532895375 /nfs/dbraw/zinc/89/53/75/532895375.db2.gz YKCVFDAWHAKYDI-UHFFFAOYSA-N 1 2 381.527 2.171 20 0 GEADLO CC(C)[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(N(C)C)nc3)sc2C1 ZINC000291028394 532895379 /nfs/dbraw/zinc/89/53/79/532895379.db2.gz YKCVFDAWHAKYDI-UHFFFAOYSA-N 1 2 381.527 2.171 20 0 GEADLO Cc1cc(NC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)cc[nH+]1 ZINC000362489795 532896432 /nfs/dbraw/zinc/89/64/32/532896432.db2.gz YANYUXGDFMYYJM-HNNXBMFYSA-N 1 2 389.253 2.279 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2cc(Br)cs2)C1 ZINC000276514132 532897396 /nfs/dbraw/zinc/89/73/96/532897396.db2.gz QCJRXXAAMAJGQR-LLVKDONJSA-N 1 2 396.314 2.229 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2cc(Br)cs2)C1 ZINC000276514132 532897398 /nfs/dbraw/zinc/89/73/98/532897398.db2.gz QCJRXXAAMAJGQR-LLVKDONJSA-N 1 2 396.314 2.229 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000291199914 532897865 /nfs/dbraw/zinc/89/78/65/532897865.db2.gz LFDZRSUGEONBNO-JOCHJYFZSA-N 1 2 384.299 2.387 20 0 GEADLO O=C(c1occc1Br)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000363595516 532899730 /nfs/dbraw/zinc/89/97/30/532899730.db2.gz QLGTXNHLUSYDNR-UHFFFAOYSA-N 1 2 396.285 2.397 20 0 GEADLO Cc1cc(Br)oc1C(=O)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000363346004 532898495 /nfs/dbraw/zinc/89/84/95/532898495.db2.gz QJYKLFXSOVMLRK-UHFFFAOYSA-N 1 2 398.301 2.297 20 0 GEADLO CCc1n[nH]c(C(=O)NC2CCN(c3cc(C)[nH+]cn3)CC2)c1Br ZINC000363862054 532901763 /nfs/dbraw/zinc/90/17/63/532901763.db2.gz NSUFRDHPCICWJD-UHFFFAOYSA-N 1 2 393.289 2.232 20 0 GEADLO Cn1cc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cc(Br)c1=O ZINC000364026588 532902720 /nfs/dbraw/zinc/90/27/20/532902720.db2.gz WOFIIXMZUISBNH-LBPRGKRZSA-N 1 2 391.269 2.398 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)CC2 ZINC000364685526 532907924 /nfs/dbraw/zinc/90/79/24/532907924.db2.gz IHLSICSYAPOGQM-UHFFFAOYSA-N 1 2 383.861 2.264 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1COC1 ZINC000277049615 532907032 /nfs/dbraw/zinc/90/70/32/532907032.db2.gz LPFQBSQZMALGIU-UHFFFAOYSA-N 1 2 379.309 2.276 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000277066412 532907389 /nfs/dbraw/zinc/90/73/89/532907389.db2.gz RVCKNTIFPRBFJB-KBPBESRZSA-N 1 2 395.301 2.185 20 0 GEADLO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1ccncc1I ZINC000364671870 532907966 /nfs/dbraw/zinc/90/79/66/532907966.db2.gz IZGLPIDZWVVCSH-NSHDSACASA-N 1 2 396.232 2.217 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000364654186 532907744 /nfs/dbraw/zinc/90/77/44/532907744.db2.gz MLPBGZPSRHNJGC-BRWVUGGUSA-N 1 2 394.313 2.451 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000364654186 532907746 /nfs/dbraw/zinc/90/77/46/532907746.db2.gz MLPBGZPSRHNJGC-BRWVUGGUSA-N 1 2 394.313 2.451 20 0 GEADLO CCC(CC)[C@@H](C(=O)N1CCn2c(Br)cnc2C1)[NH+]1CCOCC1 ZINC000364850754 532908540 /nfs/dbraw/zinc/90/85/40/532908540.db2.gz OERPHWRABKTJAD-INIZCTEOSA-N 1 2 399.333 2.125 20 0 GEADLO COc1cc(Cl)c(Cl)cc1C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000365882575 532912790 /nfs/dbraw/zinc/91/27/90/532912790.db2.gz CLCUKLYTEWLIDU-UHFFFAOYSA-N 1 2 388.295 2.238 20 0 GEADLO COc1cc(Cl)c(Cl)cc1C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000365882575 532912792 /nfs/dbraw/zinc/91/27/92/532912792.db2.gz CLCUKLYTEWLIDU-UHFFFAOYSA-N 1 2 388.295 2.238 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000365592740 532911582 /nfs/dbraw/zinc/91/15/82/532911582.db2.gz XAEDMANSMANBKM-JTQLQIEISA-N 1 2 389.449 2.498 20 0 GEADLO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000366064662 532914267 /nfs/dbraw/zinc/91/42/67/532914267.db2.gz YRNCZTZGSLXVOO-BRYYZUPOSA-N 1 2 382.507 2.101 20 0 GEADLO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000366064662 532914268 /nfs/dbraw/zinc/91/42/68/532914268.db2.gz YRNCZTZGSLXVOO-BRYYZUPOSA-N 1 2 382.507 2.101 20 0 GEADLO O=S(=O)(NCC(F)(F)F)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000367036886 532922324 /nfs/dbraw/zinc/92/23/24/532922324.db2.gz PSGANFWQEOXTHR-CABCVRRESA-N 1 2 377.432 2.122 20 0 GEADLO O=S(=O)(NCC(F)(F)F)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000367036886 532922325 /nfs/dbraw/zinc/92/23/25/532922325.db2.gz PSGANFWQEOXTHR-CABCVRRESA-N 1 2 377.432 2.122 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C[C@H]2N1 ZINC000366763219 532920987 /nfs/dbraw/zinc/92/09/87/532920987.db2.gz GBSHXZKTOYQJKS-CVEARBPZSA-N 1 2 377.897 2.477 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C[C@H]2N1 ZINC000366763219 532920988 /nfs/dbraw/zinc/92/09/88/532920988.db2.gz GBSHXZKTOYQJKS-CVEARBPZSA-N 1 2 377.897 2.477 20 0 GEADLO O=C1CO[C@@H]2CC[N@@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C[C@@H]2N1 ZINC000366763224 532921198 /nfs/dbraw/zinc/92/11/98/532921198.db2.gz GBSHXZKTOYQJKS-JKSUJKDBSA-N 1 2 377.897 2.477 20 0 GEADLO O=C1CO[C@@H]2CC[N@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C[C@@H]2N1 ZINC000366763224 532921200 /nfs/dbraw/zinc/92/12/00/532921200.db2.gz GBSHXZKTOYQJKS-JKSUJKDBSA-N 1 2 377.897 2.477 20 0 GEADLO CSCc1cnc(C[NH2+]CCNS(=O)(=O)c2ccc(C)s2)s1 ZINC000293229299 532923780 /nfs/dbraw/zinc/92/37/80/532923780.db2.gz KLZIKILNMPSTSG-UHFFFAOYSA-N 1 2 377.582 2.444 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000293420390 532926618 /nfs/dbraw/zinc/92/66/18/532926618.db2.gz SRJBHFNPIANUNI-NHYWBVRUSA-N 1 2 394.306 2.378 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000293420390 532926619 /nfs/dbraw/zinc/92/66/19/532926619.db2.gz SRJBHFNPIANUNI-NHYWBVRUSA-N 1 2 394.306 2.378 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000293420392 532926625 /nfs/dbraw/zinc/92/66/25/532926625.db2.gz SRJBHFNPIANUNI-XHDPSFHLSA-N 1 2 394.306 2.378 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000293420392 532926626 /nfs/dbraw/zinc/92/66/26/532926626.db2.gz SRJBHFNPIANUNI-XHDPSFHLSA-N 1 2 394.306 2.378 20 0 GEADLO Cc1cc(Br)ccc1C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000368026278 532929710 /nfs/dbraw/zinc/92/97/10/532929710.db2.gz QANJEZJJGFUINU-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO Cc1cc(Br)ccc1C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000368026278 532929711 /nfs/dbraw/zinc/92/97/11/532929711.db2.gz QANJEZJJGFUINU-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1nnc(S(C)(=O)=O)s1 ZINC000367613914 532926001 /nfs/dbraw/zinc/92/60/01/532926001.db2.gz GHXMOHVBPJHRNE-RRFJBIMHSA-N 1 2 381.523 2.383 20 0 GEADLO OCc1cn([C@@H]2CCC[N@H+](Cc3cnc4ccc(Br)cn34)C2)nn1 ZINC000293695367 532930457 /nfs/dbraw/zinc/93/04/57/532930457.db2.gz RBXMAFRCFZIVJA-CQSZACIVSA-N 1 2 391.273 2.018 20 0 GEADLO OCc1cn([C@@H]2CCC[N@@H+](Cc3cnc4ccc(Br)cn34)C2)nn1 ZINC000293695367 532930458 /nfs/dbraw/zinc/93/04/58/532930458.db2.gz RBXMAFRCFZIVJA-CQSZACIVSA-N 1 2 391.273 2.018 20 0 GEADLO OCc1cn([C@@H]2CCCN(Cc3c[nH+]c4ccc(Br)cn34)C2)nn1 ZINC000293695367 532930459 /nfs/dbraw/zinc/93/04/59/532930459.db2.gz RBXMAFRCFZIVJA-CQSZACIVSA-N 1 2 391.273 2.018 20 0 GEADLO OCc1cn([C@H]2CCC[N@H+](Cc3cnc4ccc(Br)cn34)C2)nn1 ZINC000293695365 532930485 /nfs/dbraw/zinc/93/04/85/532930485.db2.gz RBXMAFRCFZIVJA-AWEZNQCLSA-N 1 2 391.273 2.018 20 0 GEADLO OCc1cn([C@H]2CCC[N@@H+](Cc3cnc4ccc(Br)cn34)C2)nn1 ZINC000293695365 532930487 /nfs/dbraw/zinc/93/04/87/532930487.db2.gz RBXMAFRCFZIVJA-AWEZNQCLSA-N 1 2 391.273 2.018 20 0 GEADLO OCc1cn([C@H]2CCCN(Cc3c[nH+]c4ccc(Br)cn34)C2)nn1 ZINC000293695365 532930489 /nfs/dbraw/zinc/93/04/89/532930489.db2.gz RBXMAFRCFZIVJA-AWEZNQCLSA-N 1 2 391.273 2.018 20 0 GEADLO O=C1NC[C@H]2C[N@H+](Cc3c(F)ccc(I)c3F)CC[C@H]12 ZINC000368216466 532930876 /nfs/dbraw/zinc/93/08/76/532930876.db2.gz STLCFKKYQSANOB-IUCAKERBSA-N 1 2 392.187 2.137 20 0 GEADLO O=C1NC[C@H]2C[N@@H+](Cc3c(F)ccc(I)c3F)CC[C@H]12 ZINC000368216466 532930877 /nfs/dbraw/zinc/93/08/77/532930877.db2.gz STLCFKKYQSANOB-IUCAKERBSA-N 1 2 392.187 2.137 20 0 GEADLO O=C([C@H]1CCCO1)N1CCC[N@@H+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000368902293 532935342 /nfs/dbraw/zinc/93/53/42/532935342.db2.gz SIZAPULSQBUCDR-IAGOWNOFSA-N 1 2 397.313 2.196 20 0 GEADLO O=C([C@H]1CCCO1)N1CCC[N@H+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000368902293 532935344 /nfs/dbraw/zinc/93/53/44/532935344.db2.gz SIZAPULSQBUCDR-IAGOWNOFSA-N 1 2 397.313 2.196 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368965038 532935854 /nfs/dbraw/zinc/93/58/54/532935854.db2.gz JABFDUPSEDSJGZ-RBOXIYTFSA-N 1 2 380.286 2.282 20 0 GEADLO Cn1cnc(C[NH2+][C@H]2CCCOc3ccc(I)cc32)n1 ZINC000368467299 532932757 /nfs/dbraw/zinc/93/27/57/532932757.db2.gz QYHSTFQEKYJLQC-LBPRGKRZSA-N 1 2 384.221 2.423 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368965038 532935855 /nfs/dbraw/zinc/93/58/55/532935855.db2.gz JABFDUPSEDSJGZ-RBOXIYTFSA-N 1 2 380.286 2.282 20 0 GEADLO CCN1C(=O)[C@@H]2C[N@H+](Cc3nc4cc(Br)ccc4o3)CCN2C1=O ZINC000368509143 532933090 /nfs/dbraw/zinc/93/30/90/532933090.db2.gz YAXQSSYJOGGJPR-LBPRGKRZSA-N 1 2 393.241 2.059 20 0 GEADLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3nc4cc(Br)ccc4o3)CCN2C1=O ZINC000368509143 532933091 /nfs/dbraw/zinc/93/30/91/532933091.db2.gz YAXQSSYJOGGJPR-LBPRGKRZSA-N 1 2 393.241 2.059 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C(=O)O1 ZINC000293981696 532934251 /nfs/dbraw/zinc/93/42/51/532934251.db2.gz RHIDXIGKLPXLQL-UGFHNGPFSA-N 1 2 381.270 2.406 20 0 GEADLO C[C@](O)(C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1)c1ccc(Br)cc1Cl ZINC000294014993 532934672 /nfs/dbraw/zinc/93/46/72/532934672.db2.gz GZMBBRWQXJQANE-RISCZKNCSA-N 1 2 396.734 2.429 20 0 GEADLO C[C@](O)(C[N@H+]1CC[C@@H](S(C)(=O)=O)C1)c1ccc(Br)cc1Cl ZINC000294014993 532934674 /nfs/dbraw/zinc/93/46/74/532934674.db2.gz GZMBBRWQXJQANE-RISCZKNCSA-N 1 2 396.734 2.429 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369174422 532937254 /nfs/dbraw/zinc/93/72/54/532937254.db2.gz OJYRSOFCQAEFNF-OAHLLOKOSA-N 1 2 387.864 2.478 20 0 GEADLO O=C1OCC[C@H]1CC[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000369702035 532940424 /nfs/dbraw/zinc/94/04/24/532940424.db2.gz HDQJWBXPUCUGSB-SNVBAGLBSA-N 1 2 375.288 2.142 20 0 GEADLO Fc1ccc(Br)c2[nH+]ccc(NCc3nnc4n3CCOC4)c12 ZINC000370246029 532942676 /nfs/dbraw/zinc/94/26/76/532942676.db2.gz BIJAMVAJAAFPKF-UHFFFAOYSA-N 1 2 378.205 2.292 20 0 GEADLO CC(C)COC[C@H](O)C[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000369703133 532940494 /nfs/dbraw/zinc/94/04/94/532940494.db2.gz LTCDUMXHQWMERO-GFCCVEGCSA-N 1 2 393.347 2.223 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000369737240 532940589 /nfs/dbraw/zinc/94/05/89/532940589.db2.gz GNDIWRFAFDNGRU-SJLPKXTDSA-N 1 2 379.298 2.101 20 0 GEADLO CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1 ZINC000370865158 532945837 /nfs/dbraw/zinc/94/58/37/532945837.db2.gz NQDLQXSYLKFICW-BBRMVZONSA-N 1 2 385.555 2.138 20 0 GEADLO CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1 ZINC000370865158 532945838 /nfs/dbraw/zinc/94/58/38/532945838.db2.gz NQDLQXSYLKFICW-BBRMVZONSA-N 1 2 385.555 2.138 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)c3csc(Br)c3)CC2)CCCC1 ZINC000370884642 532945865 /nfs/dbraw/zinc/94/58/65/532945865.db2.gz BMJQREGHMQEPFW-UHFFFAOYSA-N 1 2 386.315 2.067 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370949369 532946140 /nfs/dbraw/zinc/94/61/40/532946140.db2.gz AHKCPYRKIVEOHZ-GXTWGEPZSA-N 1 2 385.917 2.132 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370949369 532946141 /nfs/dbraw/zinc/94/61/41/532946141.db2.gz AHKCPYRKIVEOHZ-GXTWGEPZSA-N 1 2 385.917 2.132 20 0 GEADLO Cc1[nH+]c2n(c1CN1CCN(c3ncncc3Br)CC1)CCCC2 ZINC000371618690 532949091 /nfs/dbraw/zinc/94/90/91/532949091.db2.gz KHIYLOVGQYJSKW-UHFFFAOYSA-N 1 2 391.317 2.403 20 0 GEADLO CN1C(=O)CSC12CC[NH+](CC(=O)N1CCSc3ccccc31)CC2 ZINC000371624092 532949103 /nfs/dbraw/zinc/94/91/03/532949103.db2.gz HXTKLIBQSOVEGW-UHFFFAOYSA-N 1 2 377.535 2.123 20 0 GEADLO Cn1cnnc1SCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000371077894 532946871 /nfs/dbraw/zinc/94/68/71/532946871.db2.gz TYUNCLZRUYUPRS-ZFWWWQNUSA-N 1 2 383.880 2.261 20 0 GEADLO Cn1cnnc1SCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000371077894 532946872 /nfs/dbraw/zinc/94/68/72/532946872.db2.gz TYUNCLZRUYUPRS-ZFWWWQNUSA-N 1 2 383.880 2.261 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000371848578 532949588 /nfs/dbraw/zinc/94/95/88/532949588.db2.gz WPCQPSSFJLZJDV-SMDDNHRTSA-N 1 2 384.889 2.465 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000371848578 532949589 /nfs/dbraw/zinc/94/95/89/532949589.db2.gz WPCQPSSFJLZJDV-SMDDNHRTSA-N 1 2 384.889 2.465 20 0 GEADLO CSc1[nH]c(=O)c(C(=O)Nc2ccc(C)cc2C[NH+](C)C)cc1-c1nn[nH]n1 ZINC000737187065 598878908 /nfs/dbraw/zinc/87/89/08/598878908.db2.gz OOUZOYQQGZGYNZ-UHFFFAOYSA-N 1 2 399.480 2.312 20 0 GEADLO C[NH+](C)Cc1ccccc1NS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000736771173 598890576 /nfs/dbraw/zinc/89/05/76/598890576.db2.gz IUSFPIZEFYAUOX-UHFFFAOYSA-N 1 2 392.872 2.383 20 0 GEADLO Cc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c(C[NH+](C)C)c1 ZINC000737362777 598911803 /nfs/dbraw/zinc/91/18/03/598911803.db2.gz WIBGOTAMTFNHGK-UHFFFAOYSA-N 1 2 390.444 2.177 20 0 GEADLO Cc1csc(C2([NH2+][C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CCC2)n1 ZINC000737455718 598961935 /nfs/dbraw/zinc/96/19/35/598961935.db2.gz WJGGSKZPBLMOLQ-HNNXBMFYSA-N 1 2 395.492 2.406 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)n2)C1 ZINC000736277007 599023297 /nfs/dbraw/zinc/02/32/97/599023297.db2.gz KKXOHSJECPZIAM-LLVKDONJSA-N 1 2 384.469 2.202 20 0 GEADLO Cc1nc(C)c(C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)s1 ZINC000737473191 599132269 /nfs/dbraw/zinc/13/22/69/599132269.db2.gz HBEOWYGEKWHGPX-UHFFFAOYSA-N 1 2 386.485 2.128 20 0 GEADLO C[C@@H](NC(=O)CNc1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820328115 599206526 /nfs/dbraw/zinc/20/65/26/599206526.db2.gz MMONISCJGSLHQO-CQSZACIVSA-N 1 2 388.435 2.342 20 0 GEADLO Cn1cc[nH+]c1C[C@@H](NC(=O)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000822699372 599202620 /nfs/dbraw/zinc/20/26/20/599202620.db2.gz YNAQJEGQGCYBFH-GOSISDBHSA-N 1 2 387.447 2.243 20 0 GEADLO Cc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)o1 ZINC000737333763 599211178 /nfs/dbraw/zinc/21/11/78/599211178.db2.gz VRSJWYHVIUDHGX-INIZCTEOSA-N 1 2 382.424 2.170 20 0 GEADLO Cc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)o1 ZINC000737333763 599211179 /nfs/dbraw/zinc/21/11/79/599211179.db2.gz VRSJWYHVIUDHGX-INIZCTEOSA-N 1 2 382.424 2.170 20 0 GEADLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccc(F)c1 ZINC000735526661 599237823 /nfs/dbraw/zinc/23/78/23/599237823.db2.gz YSQVVNNCXGXJJN-HNNXBMFYSA-N 1 2 394.454 2.454 20 0 GEADLO CCCC[N@H+](C)c1ccc(NC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000821061658 607316975 /nfs/dbraw/zinc/31/69/75/607316975.db2.gz RXLIZORIYRDHDW-AWEZNQCLSA-N 1 2 381.488 2.453 20 0 GEADLO CCCC[N@@H+](C)c1ccc(NC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000821061658 607316976 /nfs/dbraw/zinc/31/69/76/607316976.db2.gz RXLIZORIYRDHDW-AWEZNQCLSA-N 1 2 381.488 2.453 20 0 GEADLO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)CC(=O)OC(C)(C)C ZINC000736791219 598251089 /nfs/dbraw/zinc/25/10/89/598251089.db2.gz ASMYFAJGNVVXLC-UHFFFAOYSA-N 1 2 394.863 2.122 20 0 GEADLO C[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)CC(=O)OC(C)(C)C ZINC000736791219 598251091 /nfs/dbraw/zinc/25/10/91/598251091.db2.gz ASMYFAJGNVVXLC-UHFFFAOYSA-N 1 2 394.863 2.122 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000735560064 598256638 /nfs/dbraw/zinc/25/66/38/598256638.db2.gz OXRVMWFSGIMCED-IFXJQAMLSA-N 1 2 392.463 2.440 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000735560064 598256640 /nfs/dbraw/zinc/25/66/40/598256640.db2.gz OXRVMWFSGIMCED-IFXJQAMLSA-N 1 2 392.463 2.440 20 0 GEADLO Cc1ccc(CC(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000737328085 598258856 /nfs/dbraw/zinc/25/88/56/598258856.db2.gz CHGPADPSLPNBPW-UHFFFAOYSA-N 1 2 376.464 2.062 20 0 GEADLO O=C(C[N@@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737873342 598312189 /nfs/dbraw/zinc/31/21/89/598312189.db2.gz NMHLDOOGYGKYSH-GOSISDBHSA-N 1 2 378.436 2.269 20 0 GEADLO O=C(C[N@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737873342 598312191 /nfs/dbraw/zinc/31/21/91/598312191.db2.gz NMHLDOOGYGKYSH-GOSISDBHSA-N 1 2 378.436 2.269 20 0 GEADLO Clc1cc(-c2nn[nH]n2)cnc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000737558634 598386893 /nfs/dbraw/zinc/38/68/93/598386893.db2.gz PHSAFVUOWLSNLN-OAHLLOKOSA-N 1 2 385.859 2.228 20 0 GEADLO Clc1cc(-c2nn[nH]n2)cnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000737558634 598386896 /nfs/dbraw/zinc/38/68/96/598386896.db2.gz PHSAFVUOWLSNLN-OAHLLOKOSA-N 1 2 385.859 2.228 20 0 GEADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C2 ZINC000736947598 598405204 /nfs/dbraw/zinc/40/52/04/598405204.db2.gz IWWJEMLAZBHQEU-UHFFFAOYSA-N 1 2 398.448 2.059 20 0 GEADLO COC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)C2 ZINC000736947598 598405206 /nfs/dbraw/zinc/40/52/06/598405206.db2.gz IWWJEMLAZBHQEU-UHFFFAOYSA-N 1 2 398.448 2.059 20 0 GEADLO O=C1C[C@@H]([N@@H+]2CCCc3sccc3C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738301397 598420068 /nfs/dbraw/zinc/42/00/68/598420068.db2.gz OHYUIPSSJFKWIN-OAHLLOKOSA-N 1 2 394.460 2.009 20 0 GEADLO O=C1C[C@@H]([N@H+]2CCCc3sccc3C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738301397 598420070 /nfs/dbraw/zinc/42/00/70/598420070.db2.gz OHYUIPSSJFKWIN-OAHLLOKOSA-N 1 2 394.460 2.009 20 0 GEADLO Cc1nn(C)c(Cl)c1C[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000737511445 598426972 /nfs/dbraw/zinc/42/69/72/598426972.db2.gz LGQVPBYBRDKTBT-UHFFFAOYSA-N 1 2 390.854 2.023 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)cn2)C[C@H](C)O1 ZINC000736289159 598445481 /nfs/dbraw/zinc/44/54/81/598445481.db2.gz KDJBJZRSFHPTPZ-OKILXGFUSA-N 1 2 393.451 2.123 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)cn2)C[C@H](C)O1 ZINC000736289159 598445483 /nfs/dbraw/zinc/44/54/83/598445483.db2.gz KDJBJZRSFHPTPZ-OKILXGFUSA-N 1 2 393.451 2.123 20 0 GEADLO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000735735734 598501312 /nfs/dbraw/zinc/50/13/12/598501312.db2.gz UTWFSADLSYIJKH-PBHICJAKSA-N 1 2 395.467 2.399 20 0 GEADLO CC1(CNC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCC1 ZINC000736217030 598541539 /nfs/dbraw/zinc/54/15/39/598541539.db2.gz PYFDFHDMZXYELG-UHFFFAOYSA-N 1 2 383.500 2.274 20 0 GEADLO c1cc(C[NH+]2CCOCC2)cc(-c2noc(-c3ccc(-c4nn[nH]n4)cc3)n2)c1 ZINC000738411298 598611682 /nfs/dbraw/zinc/61/16/82/598611682.db2.gz UGEFSSDLBRSJOZ-UHFFFAOYSA-N 1 2 389.419 2.416 20 0 GEADLO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000735734521 598669517 /nfs/dbraw/zinc/66/95/17/598669517.db2.gz MQTJEJGGMGXZRW-YJBOKZPZSA-N 1 2 395.467 2.330 20 0 GEADLO O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000737933677 598670870 /nfs/dbraw/zinc/67/08/70/598670870.db2.gz YYJIEYSBGPWECX-INIZCTEOSA-N 1 2 383.481 2.160 20 0 GEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000735590366 598701319 /nfs/dbraw/zinc/70/13/19/598701319.db2.gz XSWPXMVOTYSPBK-OAHLLOKOSA-N 1 2 385.497 2.386 20 0 GEADLO COc1ccc(OC)c(C[N@H+](CCO)Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC000737109755 598705832 /nfs/dbraw/zinc/70/58/32/598705832.db2.gz MPGSRRRROOYRHG-UHFFFAOYSA-N 1 2 387.415 2.018 20 0 GEADLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC000737109755 598705833 /nfs/dbraw/zinc/70/58/33/598705833.db2.gz MPGSRRRROOYRHG-UHFFFAOYSA-N 1 2 387.415 2.018 20 0 GEADLO C[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736059662 598742504 /nfs/dbraw/zinc/74/25/04/598742504.db2.gz VDYKGDFKMRQREN-KRWDZBQOSA-N 1 2 390.491 2.390 20 0 GEADLO Cc1ccccc1CCC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737427512 598750240 /nfs/dbraw/zinc/75/02/40/598750240.db2.gz RJFLZZRWBRTVPF-UHFFFAOYSA-N 1 2 390.491 2.452 20 0 GEADLO COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821873871 599382700 /nfs/dbraw/zinc/38/27/00/599382700.db2.gz ZOSCXKULCULGBI-BLLLJJGKSA-N 1 2 396.426 2.471 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCCCNc1cccc[nH+]1 ZINC000735736340 599388138 /nfs/dbraw/zinc/38/81/38/599388138.db2.gz SEWKLSHWSSDDHM-GOSISDBHSA-N 1 2 395.467 2.284 20 0 GEADLO COCCOc1ccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1 ZINC000821693662 599474226 /nfs/dbraw/zinc/47/42/26/599474226.db2.gz IMMCFKPCNABYHP-UHFFFAOYSA-N 1 2 376.420 2.474 20 0 GEADLO OC1CC[NH+](c2ccc(NCc3cnc4ccc(-c5nn[nH]n5)cn34)cc2)CC1 ZINC000738389790 599487316 /nfs/dbraw/zinc/48/73/16/599487316.db2.gz NIWXKWDIEYAUFW-UHFFFAOYSA-N 1 2 390.451 2.088 20 0 GEADLO CCc1cnc(CN2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)o1 ZINC000821499831 599570214 /nfs/dbraw/zinc/57/02/14/599570214.db2.gz SEDZKBVWUWMLKX-UHFFFAOYSA-N 1 2 390.451 2.288 20 0 GEADLO CC[N@H+](C)[C@@H](C(=O)OCCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000821161061 599663254 /nfs/dbraw/zinc/66/32/54/599663254.db2.gz UHPKKCJOIDTLBP-GOSISDBHSA-N 1 2 381.436 2.482 20 0 GEADLO CC[N@@H+](C)[C@@H](C(=O)OCCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000821161061 599663255 /nfs/dbraw/zinc/66/32/55/599663255.db2.gz UHPKKCJOIDTLBP-GOSISDBHSA-N 1 2 381.436 2.482 20 0 GEADLO Cc1sc(NC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C(=O)[O-])c1C ZINC000738399721 599773514 /nfs/dbraw/zinc/77/35/14/599773514.db2.gz XEPSZPONYDZFPI-UHFFFAOYSA-N 1 2 395.525 2.046 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1COC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000821736096 607417770 /nfs/dbraw/zinc/41/77/70/607417770.db2.gz AWKPGYXOUATOQT-CQSZACIVSA-N 1 2 381.436 2.439 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1COC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000821736096 607417772 /nfs/dbraw/zinc/41/77/72/607417772.db2.gz AWKPGYXOUATOQT-CQSZACIVSA-N 1 2 381.436 2.439 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+](C)[C@H](CO)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000822559035 607449758 /nfs/dbraw/zinc/44/97/58/607449758.db2.gz UWPKDMSZNNAISI-CQSZACIVSA-N 1 2 386.481 2.149 20 0 GEADLO Cc1sc(NC(=O)C[N@H+](C)[C@H](CO)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000822559035 607449759 /nfs/dbraw/zinc/44/97/59/607449759.db2.gz UWPKDMSZNNAISI-CQSZACIVSA-N 1 2 386.481 2.149 20 0 GEADLO CCCc1c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[nH]c(C)c1C(=O)[O-] ZINC000737041435 600592807 /nfs/dbraw/zinc/59/28/07/600592807.db2.gz NJFCQDDJNTUZKR-UHFFFAOYSA-N 1 2 378.517 2.072 20 0 GEADLO CCCc1c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[nH]c(C)c1C(=O)[O-] ZINC000737041435 600592809 /nfs/dbraw/zinc/59/28/09/600592809.db2.gz NJFCQDDJNTUZKR-UHFFFAOYSA-N 1 2 378.517 2.072 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c(-c2nn[nH]n2)c1C ZINC000826342157 607474115 /nfs/dbraw/zinc/47/41/15/607474115.db2.gz ZKLJLMOBQXEDKL-BLLLJJGKSA-N 1 2 396.451 2.339 20 0 GEADLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c(-c2nn[nH]n2)c1C ZINC000826342157 607474116 /nfs/dbraw/zinc/47/41/16/607474116.db2.gz ZKLJLMOBQXEDKL-BLLLJJGKSA-N 1 2 396.451 2.339 20 0 GEADLO O=C(CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407584 607478591 /nfs/dbraw/zinc/47/85/91/607478591.db2.gz TTWPXNZTZFXSEV-HNAYVOBHSA-N 1 2 395.511 2.144 20 0 GEADLO O=C(CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407584 607478592 /nfs/dbraw/zinc/47/85/92/607478592.db2.gz TTWPXNZTZFXSEV-HNAYVOBHSA-N 1 2 395.511 2.144 20 0 GEADLO COc1ccc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826195122 607484456 /nfs/dbraw/zinc/48/44/56/607484456.db2.gz ITDGMBNELAPKGE-UHFFFAOYSA-N 1 2 398.511 2.490 20 0 GEADLO Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000832914876 601349364 /nfs/dbraw/zinc/34/93/64/601349364.db2.gz HCGKJCYJICKYRK-INIZCTEOSA-N 1 2 391.512 2.499 20 0 GEADLO c1ccc2sc(N3CC[NH+](Cc4ccnc(-c5nn[nH]n5)c4)CC3)nc2c1 ZINC000826524267 607518811 /nfs/dbraw/zinc/51/88/11/607518811.db2.gz OOSXXORXAPCVRF-UHFFFAOYSA-N 1 2 378.465 2.194 20 0 GEADLO O=C([O-])CCC1CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000662217547 601842067 /nfs/dbraw/zinc/84/20/67/601842067.db2.gz FKFDAQYBYWQWEO-UHFFFAOYSA-N 1 2 389.496 2.034 20 0 GEADLO C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000739708971 602222763 /nfs/dbraw/zinc/22/27/63/602222763.db2.gz BLXWUENUXSQLDI-VQTJNVASSA-N 1 2 375.513 2.334 20 0 GEADLO C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000739708971 602222765 /nfs/dbraw/zinc/22/27/65/602222765.db2.gz BLXWUENUXSQLDI-VQTJNVASSA-N 1 2 375.513 2.334 20 0 GEADLO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000824255467 607570206 /nfs/dbraw/zinc/57/02/06/607570206.db2.gz KVGIOZIZZNRTFI-QGZVFWFLSA-N 1 2 379.468 2.310 20 0 GEADLO C[NH+]1CCC(CNC(=O)C2(NC(=O)[O-])CCCCC2)([NH+]2CCCCC2)CC1 ZINC000739724550 602816341 /nfs/dbraw/zinc/81/63/41/602816341.db2.gz IYEABXUJKASPMS-UHFFFAOYSA-N 1 2 380.533 2.023 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CCC[NH+]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000738717551 603408701 /nfs/dbraw/zinc/40/87/01/603408701.db2.gz RJCJLYOVXYXHPH-HZPDHXFCSA-N 1 2 384.521 2.098 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CCC[NH+]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000738717551 603408704 /nfs/dbraw/zinc/40/87/04/603408704.db2.gz RJCJLYOVXYXHPH-HZPDHXFCSA-N 1 2 384.521 2.098 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000738717551 603408705 /nfs/dbraw/zinc/40/87/05/603408705.db2.gz RJCJLYOVXYXHPH-HZPDHXFCSA-N 1 2 384.521 2.098 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000738717551 603408707 /nfs/dbraw/zinc/40/87/07/603408707.db2.gz RJCJLYOVXYXHPH-HZPDHXFCSA-N 1 2 384.521 2.098 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000826183579 607641229 /nfs/dbraw/zinc/64/12/29/607641229.db2.gz UCKSCOHWTNLIDW-RBUKOAKNSA-N 1 2 395.463 2.200 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000826183579 607641230 /nfs/dbraw/zinc/64/12/30/607641230.db2.gz UCKSCOHWTNLIDW-RBUKOAKNSA-N 1 2 395.463 2.200 20 0 GEADLO CCc1nc(CN2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3OC)CC2)cs1 ZINC000825744894 607642757 /nfs/dbraw/zinc/64/27/57/607642757.db2.gz GPRUHTSVEMWHSS-UHFFFAOYSA-N 1 2 399.524 2.212 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC(N2CCCNC2=O)CC1 ZINC000826304213 607675959 /nfs/dbraw/zinc/67/59/59/607675959.db2.gz CGKAWXZEOXUCPB-UHFFFAOYSA-N 1 2 392.467 2.107 20 0 GEADLO CC(C)[N@H+](CC(=O)[O-])CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000263560503 604922142 /nfs/dbraw/zinc/92/21/42/604922142.db2.gz BNGIORLQVOZYNA-QGZVFWFLSA-N 1 2 381.904 2.388 20 0 GEADLO CC(C)[N@@H+](CC(=O)[O-])CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000263560503 604922148 /nfs/dbraw/zinc/92/21/48/604922148.db2.gz BNGIORLQVOZYNA-QGZVFWFLSA-N 1 2 381.904 2.388 20 0 GEADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000826388994 607753126 /nfs/dbraw/zinc/75/31/26/607753126.db2.gz NXXRRJDKUGWYAD-RHSMWYFYSA-N 1 2 398.854 2.200 20 0 GEADLO O=C([O-])N1CC[C@@]2(C1)C[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)c1ccccc1O2 ZINC000834082340 605635634 /nfs/dbraw/zinc/63/56/34/605635634.db2.gz DUDFPRCHWNNBSE-JQZBISMTSA-N 1 2 387.480 2.086 20 0 GEADLO O=C([O-])N1CC[C@@]2(C1)C[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)c1ccccc1O2 ZINC000834082340 605635636 /nfs/dbraw/zinc/63/56/36/605635636.db2.gz DUDFPRCHWNNBSE-JQZBISMTSA-N 1 2 387.480 2.086 20 0 GEADLO Cc1cc(N2CCC(Nc3ccc(Cl)c(-c4nn[nH]n4)n3)CC2)nc(C)[nH+]1 ZINC000822207159 606102389 /nfs/dbraw/zinc/10/23/89/606102389.db2.gz MSWUWKOQQQHLEN-UHFFFAOYSA-N 1 2 385.863 2.403 20 0 GEADLO Cc1cccn2cc(CCNC(=O)N[C@H](C)c3ccc(-c4nn[nH]n4)cc3)[nH+]c12 ZINC000822366650 606116129 /nfs/dbraw/zinc/11/61/29/606116129.db2.gz QUQJYXGANYMTQJ-CQSZACIVSA-N 1 2 390.451 2.426 20 0 GEADLO O=C([C@@H]1C[C@H]1C1CC1)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822916770 606239760 /nfs/dbraw/zinc/23/97/60/606239760.db2.gz CTRDURIQWARWAV-JKSUJKDBSA-N 1 2 389.463 2.110 20 0 GEADLO CC[C@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1nccs1 ZINC000820926999 606307288 /nfs/dbraw/zinc/30/72/88/606307288.db2.gz YKZRYBBUONISDT-WDEREUQCSA-N 1 2 375.483 2.231 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccc(Sc3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000821626843 606312537 /nfs/dbraw/zinc/31/25/37/606312537.db2.gz BADOUMDTJQUMQR-UHFFFAOYSA-N 1 2 380.477 2.406 20 0 GEADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H](C)O1 ZINC000820759742 606315049 /nfs/dbraw/zinc/31/50/49/606315049.db2.gz NDFOYNAZQJYCFY-CHWSQXEVSA-N 1 2 381.440 2.056 20 0 GEADLO CCN1CC[NH+]([C@@H](C)CNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000821268105 606453580 /nfs/dbraw/zinc/45/35/80/606453580.db2.gz SRZFKXDIEAAMEM-LBPRGKRZSA-N 1 2 383.422 2.323 20 0 GEADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cc(-c2nn[nH]n2)cs1)c1ccccc1 ZINC000822698833 606521960 /nfs/dbraw/zinc/52/19/60/606521960.db2.gz HMVJNFUWAMABQP-AWEZNQCLSA-N 1 2 379.449 2.376 20 0 GEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000822237170 606568641 /nfs/dbraw/zinc/56/86/41/606568641.db2.gz IFIXFOTXOBNMDD-UHFFFAOYSA-N 1 2 384.465 2.321 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000819875637 606623070 /nfs/dbraw/zinc/62/30/70/606623070.db2.gz APAUDDUJSCDDNU-QYSRSOONSA-N 1 2 398.492 2.063 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000819875637 606623073 /nfs/dbraw/zinc/62/30/73/606623073.db2.gz APAUDDUJSCDDNU-QYSRSOONSA-N 1 2 398.492 2.063 20 0 GEADLO O=C(CNc1ccc(-c2nn[nH]n2)cc1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000823014436 606643954 /nfs/dbraw/zinc/64/39/54/606643954.db2.gz MMXFACYUNYNKRO-UHFFFAOYSA-N 1 2 375.392 2.208 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@@H](c2ccccc2)C1 ZINC000821627344 606667155 /nfs/dbraw/zinc/66/71/55/606667155.db2.gz XSQMXKSSDXGLNB-MRXNPFEDSA-N 1 2 384.390 2.274 20 0 GEADLO C[N@H+]1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@@H](c2ccccc2)C1 ZINC000821627344 606667156 /nfs/dbraw/zinc/66/71/56/606667156.db2.gz XSQMXKSSDXGLNB-MRXNPFEDSA-N 1 2 384.390 2.274 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@H](c2ccccc2)C1 ZINC000821627343 606667205 /nfs/dbraw/zinc/66/72/05/606667205.db2.gz XSQMXKSSDXGLNB-INIZCTEOSA-N 1 2 384.390 2.274 20 0 GEADLO C[N@H+]1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@H](c2ccccc2)C1 ZINC000821627343 606667206 /nfs/dbraw/zinc/66/72/06/606667206.db2.gz XSQMXKSSDXGLNB-INIZCTEOSA-N 1 2 384.390 2.274 20 0 GEADLO Cc1sc(NC(=O)C[N@H+](C)CCOc2ccccc2)c(-c2nn[nH]n2)c1C ZINC000822556911 606707814 /nfs/dbraw/zinc/70/78/14/606707814.db2.gz DFHQWRMNKRLCQT-UHFFFAOYSA-N 1 2 386.481 2.494 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+](C)CCOc2ccccc2)c(-c2nn[nH]n2)c1C ZINC000822556911 606707816 /nfs/dbraw/zinc/70/78/16/606707816.db2.gz DFHQWRMNKRLCQT-UHFFFAOYSA-N 1 2 386.481 2.494 20 0 GEADLO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)NCc1ccn2cc[nH+]c2c1 ZINC000822955448 606809898 /nfs/dbraw/zinc/80/98/98/606809898.db2.gz VRXQAQRRKSIWHF-UHFFFAOYSA-N 1 2 391.435 2.380 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000819877223 606846351 /nfs/dbraw/zinc/84/63/51/606846351.db2.gz RDZOFXABHGRXAJ-LBPRGKRZSA-N 1 2 388.435 2.169 20 0 GEADLO O=C(CCC1CCCC1)N1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822950633 606853182 /nfs/dbraw/zinc/85/31/82/606853182.db2.gz VTFUZRYSLUFKOH-IBGZPJMESA-N 1 2 398.511 2.015 20 0 GEADLO O=C1CCCCN1C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000823525381 606880726 /nfs/dbraw/zinc/88/07/26/606880726.db2.gz MMOXPDNQPNDWHD-UHFFFAOYSA-N 1 2 377.452 2.396 20 0 GEADLO CCc1nnc(NCc2ccc(-n3cc[nH+]c3C)nc2)c(-c2nn[nH]n2)c1CC ZINC000821542112 606922816 /nfs/dbraw/zinc/92/28/16/606922816.db2.gz JLLBPUHMPKVFFA-UHFFFAOYSA-N 1 2 390.455 2.283 20 0 GEADLO C[C@@H](c1nc(C2CC2)no1)N1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820571321 606969302 /nfs/dbraw/zinc/96/93/02/606969302.db2.gz YCRONYPEGAKMOR-LBPRGKRZSA-N 1 2 398.446 2.145 20 0 GEADLO C[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000820716948 607062427 /nfs/dbraw/zinc/06/24/27/607062427.db2.gz NEGFPOWMKFRTEB-PBHICJAKSA-N 1 2 395.467 2.330 20 0 GEADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821602670 607068747 /nfs/dbraw/zinc/06/87/47/607068747.db2.gz NGLHQIJLRCAJHW-UHFFFAOYSA-N 1 2 395.486 2.260 20 0 GEADLO CCc1cc(C)c(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000821469357 607122025 /nfs/dbraw/zinc/12/20/25/607122025.db2.gz DCYSQFZCSMEAGG-UHFFFAOYSA-N 1 2 380.452 2.289 20 0 GEADLO O=C(N[C@@H]1CC2CCC1CC2)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823144717 607214936 /nfs/dbraw/zinc/21/49/36/607214936.db2.gz KRRDUBBLNPCNIP-GXOAENINSA-N 1 2 395.511 2.273 20 0 GEADLO CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000825366560 607797207 /nfs/dbraw/zinc/79/72/07/607797207.db2.gz BXITUNGEIRLQTO-LJQANCHMSA-N 1 2 392.463 2.121 20 0 GEADLO CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000825366560 607797208 /nfs/dbraw/zinc/79/72/08/607797208.db2.gz BXITUNGEIRLQTO-LJQANCHMSA-N 1 2 392.463 2.121 20 0 GEADLO COc1ccc(OC)c(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826211138 608069980 /nfs/dbraw/zinc/06/99/80/608069980.db2.gz QODKKCQRUWVUCL-LJQANCHMSA-N 1 2 381.436 2.457 20 0 GEADLO COc1ccc(OC)c(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826211138 608069981 /nfs/dbraw/zinc/06/99/81/608069981.db2.gz QODKKCQRUWVUCL-LJQANCHMSA-N 1 2 381.436 2.457 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+](C)C[C@H](C)c2nccs2)c(-c2nn[nH]n2)c1C ZINC000826341965 608133216 /nfs/dbraw/zinc/13/32/16/608133216.db2.gz UUKZWDHNHGUZGF-VIFPVBQESA-N 1 2 375.458 2.207 20 0 GEADLO Cc1oc(NC(=O)C[N@H+](C)C[C@H](C)c2nccs2)c(-c2nn[nH]n2)c1C ZINC000826341965 608133217 /nfs/dbraw/zinc/13/32/17/608133217.db2.gz UUKZWDHNHGUZGF-VIFPVBQESA-N 1 2 375.458 2.207 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000826182882 608256166 /nfs/dbraw/zinc/25/61/66/608256166.db2.gz XELNALUCBUEUDK-AWEZNQCLSA-N 1 2 380.456 2.250 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000826182882 608256168 /nfs/dbraw/zinc/25/61/68/608256168.db2.gz XELNALUCBUEUDK-AWEZNQCLSA-N 1 2 380.456 2.250 20 0 GEADLO COC(=O)C[N@H+](Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1)C1CCCC1 ZINC000826138306 608316265 /nfs/dbraw/zinc/31/62/65/608316265.db2.gz OYHFKEBGUCHZEP-UHFFFAOYSA-N 1 2 395.467 2.278 20 0 GEADLO COC(=O)C[N@@H+](Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1)C1CCCC1 ZINC000826138306 608316267 /nfs/dbraw/zinc/31/62/67/608316267.db2.gz OYHFKEBGUCHZEP-UHFFFAOYSA-N 1 2 395.467 2.278 20 0 GEADLO COc1ccc(CC(N)=[NH+]OCc2ccc(-c3nn[nH]n3)cc2OC)cc1OC ZINC000826173355 608324144 /nfs/dbraw/zinc/32/41/44/608324144.db2.gz ZWXBVTZBPRKEKQ-UHFFFAOYSA-N 1 2 398.423 2.134 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@@H](c2nncn2C)C1 ZINC000826304274 608365931 /nfs/dbraw/zinc/36/59/31/608365931.db2.gz FKLZEMXJQYDJKV-CYBMUJFWSA-N 1 2 375.440 2.236 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826168075 608373453 /nfs/dbraw/zinc/37/34/53/608373453.db2.gz BAVRQMWOGOGUPJ-WMLDXEAASA-N 1 2 387.390 2.461 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826168075 608373455 /nfs/dbraw/zinc/37/34/55/608373455.db2.gz BAVRQMWOGOGUPJ-WMLDXEAASA-N 1 2 387.390 2.461 20 0 GEADLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)CC2)[nH]n1 ZINC000826265666 608384893 /nfs/dbraw/zinc/38/48/93/608384893.db2.gz IPXQXHPJVABUHJ-CYBMUJFWSA-N 1 2 380.456 2.105 20 0 GEADLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC000826265666 608384894 /nfs/dbraw/zinc/38/48/94/608384894.db2.gz IPXQXHPJVABUHJ-CYBMUJFWSA-N 1 2 380.456 2.105 20 0 GEADLO CC(C)(C)n1cc(CN2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)cn1 ZINC000824147705 608391471 /nfs/dbraw/zinc/39/14/71/608391471.db2.gz HLKHYMJQWZXJFM-UHFFFAOYSA-N 1 2 398.490 2.275 20 0 GEADLO Fc1ccc(C[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1-c1nn[nH]n1 ZINC000826374739 608419216 /nfs/dbraw/zinc/41/92/16/608419216.db2.gz KZLBBQCVBKYTGP-UHFFFAOYSA-N 1 2 392.442 2.200 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc(-c2nn[nH]n2)c1 ZINC000824625415 608492572 /nfs/dbraw/zinc/49/25/72/608492572.db2.gz HOBTWGGBTZHRAE-LLVKDONJSA-N 1 2 391.391 2.496 20 0 GEADLO CC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000823981645 608494716 /nfs/dbraw/zinc/49/47/16/608494716.db2.gz OTMQRXGBYYFMKA-UHFFFAOYSA-N 1 2 392.463 2.110 20 0 GEADLO CC(C)Cc1ncc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)s1 ZINC000824280764 608512805 /nfs/dbraw/zinc/51/28/05/608512805.db2.gz SYYIJNWHHBEPOW-UHFFFAOYSA-N 1 2 384.513 2.239 20 0 GEADLO COc1ccc([C@@H](CNc2nc(-c3nn[nH]n3)ccc2C)[NH+]2CCOCC2)cc1 ZINC000826189564 608540549 /nfs/dbraw/zinc/54/05/49/608540549.db2.gz YMWBZYHUVSGLKT-GOSISDBHSA-N 1 2 395.467 2.064 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@@H](c2ccccc2)O1 ZINC000824992685 608633202 /nfs/dbraw/zinc/63/32/02/608633202.db2.gz NNJOJOIQPMVIIK-KDOFPFPSSA-N 1 2 375.436 2.476 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@@H](c2ccccc2)O1 ZINC000824992685 608633203 /nfs/dbraw/zinc/63/32/03/608633203.db2.gz NNJOJOIQPMVIIK-KDOFPFPSSA-N 1 2 375.436 2.476 20 0 GEADLO C[C@H]1C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@@H](c2ccccc2)O1 ZINC000824992688 608633705 /nfs/dbraw/zinc/63/37/05/608633705.db2.gz NNJOJOIQPMVIIK-KSSFIOAISA-N 1 2 375.436 2.476 20 0 GEADLO C[C@H]1C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@@H](c2ccccc2)O1 ZINC000824992688 608633710 /nfs/dbraw/zinc/63/37/10/608633710.db2.gz NNJOJOIQPMVIIK-KSSFIOAISA-N 1 2 375.436 2.476 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c(OC)c1 ZINC000826194978 608640161 /nfs/dbraw/zinc/64/01/61/608640161.db2.gz CNFRAVVELBBBKD-UHFFFAOYSA-N 1 2 398.442 2.345 20 0 GEADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825176302 608677275 /nfs/dbraw/zinc/67/72/75/608677275.db2.gz OEDWTQBLYIUNLU-IBGZPJMESA-N 1 2 392.463 2.156 20 0 GEADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825176302 608677279 /nfs/dbraw/zinc/67/72/79/608677279.db2.gz OEDWTQBLYIUNLU-IBGZPJMESA-N 1 2 392.463 2.156 20 0 GEADLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)cc(OC)c1 ZINC000826180579 608831184 /nfs/dbraw/zinc/83/11/84/608831184.db2.gz NHYIGRIKQVTNIA-UHFFFAOYSA-N 1 2 388.453 2.016 20 0 GEADLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)cc(OC)c1 ZINC000826180579 608831186 /nfs/dbraw/zinc/83/11/86/608831186.db2.gz NHYIGRIKQVTNIA-UHFFFAOYSA-N 1 2 388.453 2.016 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826327096 609293435 /nfs/dbraw/zinc/29/34/35/609293435.db2.gz RUKKNPDAZAODGD-UHFFFAOYSA-N 1 2 399.842 2.312 20 0 GEADLO Cc1cc[nH+]c(NCCCCN2C(=O)c3ccccc3C2=O)c1-c1nn[nH]n1 ZINC000826313952 609552193 /nfs/dbraw/zinc/55/21/93/609552193.db2.gz ZHOMVLUNENGQTP-UHFFFAOYSA-N 1 2 377.408 2.058 20 0 GEADLO O=C(NCCCC[NH+]1CCOCC1)c1cc(Br)c(F)cc1O ZINC000448712810 650019877 /nfs/dbraw/zinc/01/98/77/650019877.db2.gz GLVMKXAEMKPNPI-UHFFFAOYSA-N 1 2 375.238 2.136 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cccc(F)c2Br)CC1 ZINC000449010565 650029694 /nfs/dbraw/zinc/02/96/94/650029694.db2.gz STPFTVXJHVFPQA-GFCCVEGCSA-N 1 2 384.293 2.373 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449232532 650035110 /nfs/dbraw/zinc/03/51/10/650035110.db2.gz UMKSOPPXQROGQT-QGZVFWFLSA-N 1 2 379.551 2.442 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449232532 650035113 /nfs/dbraw/zinc/03/51/13/650035113.db2.gz UMKSOPPXQROGQT-QGZVFWFLSA-N 1 2 379.551 2.442 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000449770404 650049620 /nfs/dbraw/zinc/04/96/20/650049620.db2.gz IROKZWXBNAOJEK-INIZCTEOSA-N 1 2 393.285 2.019 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000449770404 650049622 /nfs/dbraw/zinc/04/96/22/650049622.db2.gz IROKZWXBNAOJEK-INIZCTEOSA-N 1 2 393.285 2.019 20 0 GEADLO O=C(CS(=O)(=O)C1CC1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000449849663 650053744 /nfs/dbraw/zinc/05/37/44/650053744.db2.gz OAIBWNLBAWEMNX-UHFFFAOYSA-N 1 2 384.929 2.342 20 0 GEADLO COc1cc(Br)c(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1OC ZINC000449865662 650054710 /nfs/dbraw/zinc/05/47/10/650054710.db2.gz BKNPPHDSFAODDL-GFCCVEGCSA-N 1 2 399.285 2.059 20 0 GEADLO COc1cc(Br)c(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1OC ZINC000449865662 650054717 /nfs/dbraw/zinc/05/47/17/650054717.db2.gz BKNPPHDSFAODDL-GFCCVEGCSA-N 1 2 399.285 2.059 20 0 GEADLO CN(C)S(=O)(=O)CCNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450539418 650067069 /nfs/dbraw/zinc/06/70/69/650067069.db2.gz KYBFGWIOZZRFKC-UHFFFAOYSA-N 1 2 376.251 2.440 20 0 GEADLO COCC[N@H+](Cc1cc(Br)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000450627570 650068392 /nfs/dbraw/zinc/06/83/92/650068392.db2.gz YTDYBMQIYRGAKL-OAHLLOKOSA-N 1 2 376.316 2.393 20 0 GEADLO COCC[N@@H+](Cc1cc(Br)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000450627570 650068393 /nfs/dbraw/zinc/06/83/93/650068393.db2.gz YTDYBMQIYRGAKL-OAHLLOKOSA-N 1 2 376.316 2.393 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1Cl ZINC000450874236 650073347 /nfs/dbraw/zinc/07/33/47/650073347.db2.gz FVHVMHGRPISRFZ-CQSZACIVSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1Cl ZINC000450874236 650073349 /nfs/dbraw/zinc/07/33/49/650073349.db2.gz FVHVMHGRPISRFZ-CQSZACIVSA-N 1 2 386.901 2.127 20 0 GEADLO O=C1N=NC([C@H]2CCC[N@@H+](C[C@@H](O)COc3cccc(Br)c3)C2)O1 ZINC000450898210 650074872 /nfs/dbraw/zinc/07/48/72/650074872.db2.gz BDHRTEZSUDKHIT-WCQYABFASA-N 1 2 398.257 2.157 20 0 GEADLO O=C1N=NC([C@H]2CCC[N@H+](C[C@@H](O)COc3cccc(Br)c3)C2)O1 ZINC000450898210 650074873 /nfs/dbraw/zinc/07/48/73/650074873.db2.gz BDHRTEZSUDKHIT-WCQYABFASA-N 1 2 398.257 2.157 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@@H](O)COc3cccc(Br)c3)C2)o1 ZINC000450898210 650074874 /nfs/dbraw/zinc/07/48/74/650074874.db2.gz BDHRTEZSUDKHIT-WCQYABFASA-N 1 2 398.257 2.157 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@@H](O)COc3cccc(Br)c3)C2)o1 ZINC000450898210 650074875 /nfs/dbraw/zinc/07/48/75/650074875.db2.gz BDHRTEZSUDKHIT-WCQYABFASA-N 1 2 398.257 2.157 20 0 GEADLO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000451077563 650084100 /nfs/dbraw/zinc/08/41/00/650084100.db2.gz BWTNQPHLSPMGRY-UHFFFAOYSA-N 1 2 386.901 2.151 20 0 GEADLO CCOCC[N@@H+]1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)C[C@H]1C ZINC000451211665 650096516 /nfs/dbraw/zinc/09/65/16/650096516.db2.gz WTYRNYNJRUGLBT-CYBMUJFWSA-N 1 2 378.897 2.352 20 0 GEADLO CCOCC[N@H+]1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)C[C@H]1C ZINC000451211665 650096518 /nfs/dbraw/zinc/09/65/18/650096518.db2.gz WTYRNYNJRUGLBT-CYBMUJFWSA-N 1 2 378.897 2.352 20 0 GEADLO C[C@@H]1CN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@H](C)[N@H+]1CCO ZINC000451655954 650129429 /nfs/dbraw/zinc/12/94/29/650129429.db2.gz UIHACPHHZHCICW-HEWAKGLMSA-N 1 2 379.353 2.488 20 0 GEADLO C[C@@H]1CN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@H](C)[N@@H+]1CCO ZINC000451655954 650129430 /nfs/dbraw/zinc/12/94/30/650129430.db2.gz UIHACPHHZHCICW-HEWAKGLMSA-N 1 2 379.353 2.488 20 0 GEADLO Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000451880721 650149625 /nfs/dbraw/zinc/14/96/25/650149625.db2.gz AFJCDZIUDNIECX-XJKSGUPXSA-N 1 2 376.444 2.448 20 0 GEADLO Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000451880721 650149629 /nfs/dbraw/zinc/14/96/29/650149629.db2.gz AFJCDZIUDNIECX-XJKSGUPXSA-N 1 2 376.444 2.448 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc(Br)cn1 ZINC000451889463 650150568 /nfs/dbraw/zinc/15/05/68/650150568.db2.gz MITXZPBXWLUDEH-PRHODGIISA-N 1 2 382.180 2.028 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc(Br)cn1 ZINC000451889463 650150570 /nfs/dbraw/zinc/15/05/70/650150570.db2.gz MITXZPBXWLUDEH-PRHODGIISA-N 1 2 382.180 2.028 20 0 GEADLO COC[C@@](C)(O)CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000452340428 650179948 /nfs/dbraw/zinc/17/99/48/650179948.db2.gz IJKCRVCZVIOQIC-WMZOPIPTSA-N 1 2 399.329 2.490 20 0 GEADLO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000453602279 650210352 /nfs/dbraw/zinc/21/03/52/650210352.db2.gz SULZNPVWFVPHBQ-SNVBAGLBSA-N 1 2 383.221 2.237 20 0 GEADLO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000453726547 650220113 /nfs/dbraw/zinc/22/01/13/650220113.db2.gz XYECTCNTWUTAPD-JTQLQIEISA-N 1 2 395.232 2.163 20 0 GEADLO CSCC1CCC(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000454373245 650264827 /nfs/dbraw/zinc/26/48/27/650264827.db2.gz QUMNIQLVUIAUND-HTWSVDAQSA-N 1 2 387.615 2.415 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000454430748 650266458 /nfs/dbraw/zinc/26/64/58/650266458.db2.gz IPTCACVLRNGGSB-ZBFHGGJFSA-N 1 2 382.302 2.279 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000454430748 650266461 /nfs/dbraw/zinc/26/64/61/650266461.db2.gz IPTCACVLRNGGSB-ZBFHGGJFSA-N 1 2 382.302 2.279 20 0 GEADLO Cc1nc(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)sc1Br ZINC000454636936 650273546 /nfs/dbraw/zinc/27/35/46/650273546.db2.gz ZQMZRLPYBKLGIM-UHFFFAOYSA-N 1 2 391.335 2.124 20 0 GEADLO Cc1nc(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)sc1Br ZINC000454636936 650273586 /nfs/dbraw/zinc/27/35/86/650273586.db2.gz ZQMZRLPYBKLGIM-UHFFFAOYSA-N 1 2 391.335 2.124 20 0 GEADLO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC000456714976 650357690 /nfs/dbraw/zinc/35/76/90/650357690.db2.gz JREXXCYXKFZHAS-AWEZNQCLSA-N 1 2 394.313 2.391 20 0 GEADLO CC[C@H](c1nnc(SCC(F)(F)F)n1CCN1CCOCC1)[NH+](C)C ZINC000501428662 650391873 /nfs/dbraw/zinc/39/18/73/650391873.db2.gz YMTWHYGXECYGML-GFCCVEGCSA-N 1 2 381.468 2.277 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000502184179 650402818 /nfs/dbraw/zinc/40/28/18/650402818.db2.gz DPPAWTUSTCHEJX-UHFFFAOYSA-N 1 2 377.447 2.199 20 0 GEADLO COCCC[N@H+](C)CCNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458447300 650404212 /nfs/dbraw/zinc/40/42/12/650404212.db2.gz RQRRZTAYKHHOCO-UHFFFAOYSA-N 1 2 398.305 2.093 20 0 GEADLO COCCC[N@@H+](C)CCNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458447300 650404214 /nfs/dbraw/zinc/40/42/14/650404214.db2.gz RQRRZTAYKHHOCO-UHFFFAOYSA-N 1 2 398.305 2.093 20 0 GEADLO C[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)Oc1ccc(Br)cc1 ZINC000458493998 650404432 /nfs/dbraw/zinc/40/44/32/650404432.db2.gz WWRPOAVHLDIPDU-GFCCVEGCSA-N 1 2 381.274 2.492 20 0 GEADLO CSc1ccc([C@@H](CNC(=O)N[C@H](C)CCS(C)(=O)=O)[NH+](C)C)cc1 ZINC000458884005 650413258 /nfs/dbraw/zinc/41/32/58/650413258.db2.gz FWPGCRGHBHMLDW-CZUORRHYSA-N 1 2 387.571 2.134 20 0 GEADLO CC[N@H+](CCN1C(=O)N[C@@H](C)C1=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000459303680 650422116 /nfs/dbraw/zinc/42/21/16/650422116.db2.gz XVTRITBXVRRZHU-JTQLQIEISA-N 1 2 387.267 2.194 20 0 GEADLO CC[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000459303680 650422118 /nfs/dbraw/zinc/42/21/18/650422118.db2.gz XVTRITBXVRRZHU-JTQLQIEISA-N 1 2 387.267 2.194 20 0 GEADLO CN(C1CC[NH+](Cc2cccc(O)c2Br)CC1)S(C)(=O)=O ZINC000459329188 650422715 /nfs/dbraw/zinc/42/27/15/650422715.db2.gz RFJPNUKERAQHPB-UHFFFAOYSA-N 1 2 377.304 2.011 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+]Cc3cccc(O)c3Br)C2=O)n(C)n1 ZINC000459423671 650424017 /nfs/dbraw/zinc/42/40/17/650424017.db2.gz KGCNRCCJNISLBM-LBPRGKRZSA-N 1 2 379.258 2.092 20 0 GEADLO O=C(NCCCC[NH+]1CCOCC1)c1cc(Br)cc2nc[nH]c21 ZINC000503988809 650425144 /nfs/dbraw/zinc/42/51/44/650425144.db2.gz FXRWOOJSXIKRDW-UHFFFAOYSA-N 1 2 381.274 2.168 20 0 GEADLO COCCOC1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505370642 650437013 /nfs/dbraw/zinc/43/70/13/650437013.db2.gz OUTYFESROKVELL-KRWDZBQOSA-N 1 2 397.313 2.460 20 0 GEADLO O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1cccc2[nH+]ccn21 ZINC000460333084 650441942 /nfs/dbraw/zinc/44/19/42/650441942.db2.gz GQODBXIWMSDUOM-UHFFFAOYSA-N 1 2 398.220 2.445 20 0 GEADLO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)CCc1c[nH]c[nH+]1 ZINC000506612239 650447745 /nfs/dbraw/zinc/44/77/45/650447745.db2.gz HOCSSRIHPXUGEB-UHFFFAOYSA-N 1 2 399.314 2.331 20 0 GEADLO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)CCc1c[nH+]c[nH]1 ZINC000506612239 650447747 /nfs/dbraw/zinc/44/77/47/650447747.db2.gz HOCSSRIHPXUGEB-UHFFFAOYSA-N 1 2 399.314 2.331 20 0 GEADLO Cc1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)cc1Br ZINC000462145874 650470934 /nfs/dbraw/zinc/47/09/34/650470934.db2.gz ZVGDTSZIWUQVRD-UHFFFAOYSA-N 1 2 379.345 2.085 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000508991494 650485773 /nfs/dbraw/zinc/48/57/73/650485773.db2.gz PADDGZWUYSPGGO-NSHDSACASA-N 1 2 388.287 2.104 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000508991494 650485776 /nfs/dbraw/zinc/48/57/76/650485776.db2.gz PADDGZWUYSPGGO-NSHDSACASA-N 1 2 388.287 2.104 20 0 GEADLO C[C@H](CNC(=O)N(C)CCc1cccc(Br)c1)[NH+]1CCOCC1 ZINC000463346624 650493804 /nfs/dbraw/zinc/49/38/04/650493804.db2.gz VEMLPCTYSJJNEF-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO CC(C)(CNS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(Cl)c1F ZINC000468914978 650508067 /nfs/dbraw/zinc/50/80/67/650508067.db2.gz KPGDYYIEDFRNHO-UHFFFAOYSA-N 1 2 392.924 2.398 20 0 GEADLO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000510814052 650519625 /nfs/dbraw/zinc/51/96/25/650519625.db2.gz OZGVSKCVTNIARY-XHDPSFHLSA-N 1 2 384.889 2.428 20 0 GEADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510901779 650521009 /nfs/dbraw/zinc/52/10/09/650521009.db2.gz ISYMGGIIDDWXBQ-QWRGUYRKSA-N 1 2 378.420 2.251 20 0 GEADLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510901779 650521011 /nfs/dbraw/zinc/52/10/11/650521011.db2.gz ISYMGGIIDDWXBQ-QWRGUYRKSA-N 1 2 378.420 2.251 20 0 GEADLO O=C(Cc1ccc(Cl)cc1Cl)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000473973565 650525833 /nfs/dbraw/zinc/52/58/33/650525833.db2.gz DZBDKHCAZWJDNK-MRXNPFEDSA-N 1 2 387.307 2.486 20 0 GEADLO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000475402328 650532751 /nfs/dbraw/zinc/53/27/51/650532751.db2.gz RAZVDWKZZUOYRA-UHFFFAOYSA-N 1 2 395.232 2.458 20 0 GEADLO Cc1cc(C)n2c(C[NH2+][C@@H](C(N)=O)c3cccc(Br)c3)cnc2n1 ZINC000475433794 650533345 /nfs/dbraw/zinc/53/33/45/650533345.db2.gz YUGJIZCMKUWITC-OAHLLOKOSA-N 1 2 388.269 2.425 20 0 GEADLO CCn1cc(C[N@H+](CCO)Cc2cnc3ccc(Br)cn23)cn1 ZINC000475514488 650534333 /nfs/dbraw/zinc/53/43/33/650534333.db2.gz ZMNPLUWNMVXZJG-UHFFFAOYSA-N 1 2 378.274 2.308 20 0 GEADLO CCn1cc(C[N@@H+](CCO)Cc2cnc3ccc(Br)cn23)cn1 ZINC000475514488 650534340 /nfs/dbraw/zinc/53/43/40/650534340.db2.gz ZMNPLUWNMVXZJG-UHFFFAOYSA-N 1 2 378.274 2.308 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)[C@@H](C)C1 ZINC000511348224 650534578 /nfs/dbraw/zinc/53/45/78/650534578.db2.gz VSUHNJSXGCGUHW-AWEZNQCLSA-N 1 2 390.933 2.470 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)[C@@H](C)C1 ZINC000511348224 650534582 /nfs/dbraw/zinc/53/45/82/650534582.db2.gz VSUHNJSXGCGUHW-AWEZNQCLSA-N 1 2 390.933 2.470 20 0 GEADLO CCn1ncnc1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000475552231 650535590 /nfs/dbraw/zinc/53/55/90/650535590.db2.gz RGQXPDYOUJOEEA-UHFFFAOYSA-N 1 2 380.290 2.187 20 0 GEADLO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@@H](C)[S@]1=O ZINC000512449555 650549191 /nfs/dbraw/zinc/54/91/91/650549191.db2.gz IMRVVWMKLBWQEE-QQNGTQHZSA-N 1 2 390.343 2.420 20 0 GEADLO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@@H](C)[S@]1=O ZINC000512449555 650549195 /nfs/dbraw/zinc/54/91/95/650549195.db2.gz IMRVVWMKLBWQEE-QQNGTQHZSA-N 1 2 390.343 2.420 20 0 GEADLO COCc1cnc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)s1 ZINC000513013132 650556716 /nfs/dbraw/zinc/55/67/16/650556716.db2.gz WBRJEZKQKRCMDA-UHFFFAOYSA-N 1 2 389.930 2.319 20 0 GEADLO COC(=O)C[C@](C)(NC(=O)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000476871588 650562002 /nfs/dbraw/zinc/56/20/02/650562002.db2.gz XRCMXPJMOYUKJI-INIZCTEOSA-N 1 2 380.242 2.240 20 0 GEADLO C[C@H](C(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F)[NH+]1CCSCC1 ZINC000478139685 650583448 /nfs/dbraw/zinc/58/34/48/650583448.db2.gz IPYFTNAIANAKRI-YPMHNXCESA-N 1 2 378.416 2.172 20 0 GEADLO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC[S@@](=O)C1 ZINC000516730669 650601037 /nfs/dbraw/zinc/60/10/37/650601037.db2.gz LJBWSTMUCYAWTA-OGLZKCJBSA-N 1 2 383.945 2.495 20 0 GEADLO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC[S@@](=O)C1 ZINC000516730669 650601039 /nfs/dbraw/zinc/60/10/39/650601039.db2.gz LJBWSTMUCYAWTA-OGLZKCJBSA-N 1 2 383.945 2.495 20 0 GEADLO Cc1nc(NCc2ccc(Cl)cn2)nc(NCc2ccc(Cl)cn2)[nH+]1 ZINC000480442774 650622233 /nfs/dbraw/zinc/62/22/33/650622233.db2.gz IHPGEEAQNQHBTF-UHFFFAOYSA-N 1 2 376.251 2.345 20 0 GEADLO O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000522259119 650624405 /nfs/dbraw/zinc/62/44/05/650624405.db2.gz OPHAMKCAQJZQMM-LBPRGKRZSA-N 1 2 389.253 2.082 20 0 GEADLO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[N@H+](C)C[C@H]3C)ccc2s1 ZINC000480674219 650627829 /nfs/dbraw/zinc/62/78/29/650627829.db2.gz UMKFAUQFWXYDHA-GFCCVEGCSA-N 1 2 382.507 2.403 20 0 GEADLO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[N@@H+](C)C[C@H]3C)ccc2s1 ZINC000480674219 650627830 /nfs/dbraw/zinc/62/78/30/650627830.db2.gz UMKFAUQFWXYDHA-GFCCVEGCSA-N 1 2 382.507 2.403 20 0 GEADLO COCCOc1ccc(Br)cc1NC(=O)NCCn1cc[nH+]c1 ZINC000480996584 650639678 /nfs/dbraw/zinc/63/96/78/650639678.db2.gz DPHFDBRECDQRCG-UHFFFAOYSA-N 1 2 383.246 2.493 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000481072024 650640182 /nfs/dbraw/zinc/64/01/82/650640182.db2.gz OAJFIUXNPMRJDD-SNVBAGLBSA-N 1 2 376.251 2.460 20 0 GEADLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000481750722 650652327 /nfs/dbraw/zinc/65/23/27/650652327.db2.gz PFEFIBLVLNYFDT-HUUCEWRRSA-N 1 2 399.285 2.430 20 0 GEADLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000481750722 650652328 /nfs/dbraw/zinc/65/23/28/650652328.db2.gz PFEFIBLVLNYFDT-HUUCEWRRSA-N 1 2 399.285 2.430 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(Cc3ncc(Br)cc3Br)C[C@H]21 ZINC000482009496 650658220 /nfs/dbraw/zinc/65/82/20/650658220.db2.gz VLORTOSDYQYDIF-OLZOCXBDSA-N 1 2 391.107 2.121 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(Cc3ncc(Br)cc3Br)C[C@H]21 ZINC000482009496 650658222 /nfs/dbraw/zinc/65/82/22/650658222.db2.gz VLORTOSDYQYDIF-OLZOCXBDSA-N 1 2 391.107 2.121 20 0 GEADLO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528358479 650690734 /nfs/dbraw/zinc/69/07/34/650690734.db2.gz WVWFITYICBCTLK-ZDUSSCGKSA-N 1 2 387.307 2.417 20 0 GEADLO CN(CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)CC(F)(F)F ZINC000484089010 650685109 /nfs/dbraw/zinc/68/51/09/650685109.db2.gz NPILDESAQAHKOU-OAHLLOKOSA-N 1 2 375.460 2.387 20 0 GEADLO Cc1cc(CC(C)(C)C(=O)NC[C@H]2C[NH+]3CCN2CC3)ccc1Br ZINC000485282918 650695037 /nfs/dbraw/zinc/69/50/37/650695037.db2.gz HDXOMIOOAMNTQR-INIZCTEOSA-N 1 2 394.357 2.442 20 0 GEADLO Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc1Br ZINC000529752921 650706441 /nfs/dbraw/zinc/70/64/41/650706441.db2.gz PSIXBVHWJFUQRG-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1Br ZINC000529752921 650706444 /nfs/dbraw/zinc/70/64/44/650706444.db2.gz PSIXBVHWJFUQRG-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO COCCSCCC[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000486796769 650722358 /nfs/dbraw/zinc/72/23/58/650722358.db2.gz LNOGQPBTPVAIEZ-UHFFFAOYSA-N 1 2 386.583 2.379 20 0 GEADLO COCCSCCC[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000486801502 650722375 /nfs/dbraw/zinc/72/23/75/650722375.db2.gz UNYVWQDKEGIPNH-UHFFFAOYSA-N 1 2 392.974 2.416 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840547 650729372 /nfs/dbraw/zinc/72/93/72/650729372.db2.gz JRFKNBJFPYGFQR-DOMZBBRYSA-N 1 2 375.922 2.065 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000488419882 650745873 /nfs/dbraw/zinc/74/58/73/650745873.db2.gz KTZWNZHDTVEXAU-QMTHXVAHSA-N 1 2 385.237 2.206 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)[nH+]cc2C)c(Br)c1 ZINC000533009170 650755548 /nfs/dbraw/zinc/75/55/48/650755548.db2.gz FGRRHMYORZVTTO-UHFFFAOYSA-N 1 2 399.266 2.470 20 0 GEADLO O=C(COc1ccc(F)cc1Cl)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031940217 642493160 /nfs/dbraw/zinc/49/31/60/642493160.db2.gz XVFRAYCXCNWTEB-QGZVFWFLSA-N 1 2 388.892 2.182 20 0 GEADLO CC(C)(CNC(=O)c1ccc(I)cc1)[NH+]1CCOCC1 ZINC000036733092 642509376 /nfs/dbraw/zinc/50/93/76/642509376.db2.gz PFJBPSWLNRKYHE-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000042005060 642538450 /nfs/dbraw/zinc/53/84/50/642538450.db2.gz KXUPNURVVOGOIW-CHWSQXEVSA-N 1 2 376.906 2.126 20 0 GEADLO NC(=O)N[C@@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccs1 ZINC000042000112 642538708 /nfs/dbraw/zinc/53/87/08/642538708.db2.gz OBKSUCTWSGIJDP-AWEZNQCLSA-N 1 2 378.523 2.254 20 0 GEADLO C[NH+]1CCN(Cc2ccc(NS(=O)(=O)c3cncc(Cl)c3)cc2)CC1 ZINC000533635729 650764013 /nfs/dbraw/zinc/76/40/13/650764013.db2.gz KYVHZWRZRYYJDG-UHFFFAOYSA-N 1 2 380.901 2.283 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000046946099 642620179 /nfs/dbraw/zinc/62/01/79/642620179.db2.gz IRCRRGFGLQKOFJ-LSDHHAIUSA-N 1 2 390.596 2.168 20 0 GEADLO Cc1cccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)c1I ZINC000047151961 642622485 /nfs/dbraw/zinc/62/24/85/642622485.db2.gz RYELCEFFUXDHOL-GFCCVEGCSA-N 1 2 388.249 2.050 20 0 GEADLO CSc1nc2ccc(NC(=O)C(=O)NCCCn3cc[nH+]c3)cc2s1 ZINC000048598691 642655377 /nfs/dbraw/zinc/65/53/77/642655377.db2.gz ZUXMVTZVHWCAKH-UHFFFAOYSA-N 1 2 375.479 2.360 20 0 GEADLO Cc1nnc(CC[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)o1 ZINC000049704733 642670337 /nfs/dbraw/zinc/67/03/37/642670337.db2.gz XYUYRBZWAVSNKQ-UHFFFAOYSA-N 1 2 379.258 2.141 20 0 GEADLO O=C(NCCOc1cccc(Br)c1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000490547216 650776195 /nfs/dbraw/zinc/77/61/95/650776195.db2.gz QBXFXDDGVFJYBR-QGZVFWFLSA-N 1 2 397.313 2.445 20 0 GEADLO O=C(NCCOc1cccc(Br)c1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000490547216 650776196 /nfs/dbraw/zinc/77/61/96/650776196.db2.gz QBXFXDDGVFJYBR-QGZVFWFLSA-N 1 2 397.313 2.445 20 0 GEADLO O=S(=O)(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(Br)cc1F ZINC000534511359 650776254 /nfs/dbraw/zinc/77/62/54/650776254.db2.gz VKEPURSXQLPVIJ-QMMMGPOBSA-N 1 2 381.242 2.242 20 0 GEADLO O=S(=O)(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)c(Br)cc1F ZINC000534511359 650776255 /nfs/dbraw/zinc/77/62/55/650776255.db2.gz VKEPURSXQLPVIJ-QMMMGPOBSA-N 1 2 381.242 2.242 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000052749905 642726867 /nfs/dbraw/zinc/72/68/67/642726867.db2.gz VMULVWPVLMRXBV-CHWSQXEVSA-N 1 2 391.269 2.203 20 0 GEADLO Cc1cc(NC(=O)C[N@H+](C)C[C@@H](O)COc2ccc(Br)cc2)no1 ZINC000053844235 642740693 /nfs/dbraw/zinc/74/06/93/642740693.db2.gz VIFRLNYQTNCWGE-CYBMUJFWSA-N 1 2 398.257 2.056 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+](C)C[C@@H](O)COc2ccc(Br)cc2)no1 ZINC000053844235 642740701 /nfs/dbraw/zinc/74/07/01/642740701.db2.gz VIFRLNYQTNCWGE-CYBMUJFWSA-N 1 2 398.257 2.056 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000054817186 642760636 /nfs/dbraw/zinc/76/06/36/642760636.db2.gz NUFWEPOKCYORFY-SWLSCSKDSA-N 1 2 398.301 2.293 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000055217670 642770529 /nfs/dbraw/zinc/77/05/29/642770529.db2.gz NEVXZMMTCRDXLG-CYBMUJFWSA-N 1 2 386.905 2.480 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000055217669 642770591 /nfs/dbraw/zinc/77/05/91/642770591.db2.gz NEVXZMMTCRDXLG-ZDUSSCGKSA-N 1 2 386.905 2.480 20 0 GEADLO Cc1[nH]c2ccc(NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)cc2[nH+]1 ZINC000535394882 650787649 /nfs/dbraw/zinc/78/76/49/650787649.db2.gz TZPUSOCOIXXUKU-UHFFFAOYSA-N 1 2 379.463 2.384 20 0 GEADLO Cn1cnc(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1Cl ZINC000055638918 642776098 /nfs/dbraw/zinc/77/60/98/642776098.db2.gz MEGZXBMWBFMVKA-UHFFFAOYSA-N 1 2 386.880 2.156 20 0 GEADLO CN1CC[C@H](NC(=O)NCC[NH+]2CCSCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000535505347 650788126 /nfs/dbraw/zinc/78/81/26/650788126.db2.gz ZTQYLKIHMMKXQP-IRXDYDNUSA-N 1 2 382.961 2.433 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000491885382 650789060 /nfs/dbraw/zinc/78/90/60/650789060.db2.gz CBBOPXKQYWVWJC-NSHDSACASA-N 1 2 387.303 2.300 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000057843114 642818737 /nfs/dbraw/zinc/81/87/37/642818737.db2.gz XKZMYYSFLHXWDU-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000057843114 642818741 /nfs/dbraw/zinc/81/87/41/642818741.db2.gz XKZMYYSFLHXWDU-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO O=C(NC1CC1)C(=O)N1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000057873048 642819521 /nfs/dbraw/zinc/81/95/21/642819521.db2.gz BAEBIROTOUGMJI-UHFFFAOYSA-N 1 2 381.929 2.245 20 0 GEADLO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000491261730 650784886 /nfs/dbraw/zinc/78/48/86/650784886.db2.gz ZHBNCKOUCXJUOW-SECBINFHSA-N 1 2 383.258 2.490 20 0 GEADLO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000491261730 650784888 /nfs/dbraw/zinc/78/48/88/650784888.db2.gz ZHBNCKOUCXJUOW-SECBINFHSA-N 1 2 383.258 2.490 20 0 GEADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000535149652 650786064 /nfs/dbraw/zinc/78/60/64/650786064.db2.gz UQESJSMNRIVLQD-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000535761532 650790536 /nfs/dbraw/zinc/79/05/36/650790536.db2.gz HUQNSTDYLSOTES-UHFFFAOYSA-N 1 2 398.282 2.055 20 0 GEADLO CC[C@H](C(=O)NCCCn1cc(Br)cn1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000492354686 650790654 /nfs/dbraw/zinc/79/06/54/650790654.db2.gz FWMJAOSRBWXETK-LSDHHAIUSA-N 1 2 387.322 2.041 20 0 GEADLO CC[C@H](C(=O)NCCCn1cc(Br)cn1)[N@H+]1CCO[C@@H](CC)C1 ZINC000492354686 650790657 /nfs/dbraw/zinc/79/06/57/650790657.db2.gz FWMJAOSRBWXETK-LSDHHAIUSA-N 1 2 387.322 2.041 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C[C@@H]12 ZINC000492781263 650791787 /nfs/dbraw/zinc/79/17/87/650791787.db2.gz BGLQEJNBWBQBSD-AWEZNQCLSA-N 1 2 390.237 2.445 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C[C@@H]12 ZINC000492781263 650791791 /nfs/dbraw/zinc/79/17/91/650791791.db2.gz BGLQEJNBWBQBSD-AWEZNQCLSA-N 1 2 390.237 2.445 20 0 GEADLO CSCCCNC(=S)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000064936317 642877069 /nfs/dbraw/zinc/87/70/69/642877069.db2.gz NNWUHLXEEZMKLJ-UHFFFAOYSA-N 1 2 383.583 2.115 20 0 GEADLO O[C@@H](CSc1n[nH]c(-c2ccccc2Br)n1)C[NH+]1CCOCC1 ZINC000066238980 642902177 /nfs/dbraw/zinc/90/21/77/642902177.db2.gz XHCOHOYTGXPFAO-LLVKDONJSA-N 1 2 399.314 2.019 20 0 GEADLO CCN1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000066411061 642911884 /nfs/dbraw/zinc/91/18/84/642911884.db2.gz DEEKIUSXBLHBNF-ZDUSSCGKSA-N 1 2 377.710 2.480 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000494130608 650801934 /nfs/dbraw/zinc/80/19/34/650801934.db2.gz CWMYKPCCZOPRTJ-UHFFFAOYSA-N 1 2 379.258 2.041 20 0 GEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1nc2ncc(Br)cn2n1 ZINC000069390925 643031551 /nfs/dbraw/zinc/03/15/51/643031551.db2.gz YQXQLSFZYLPEMW-UHFFFAOYSA-N 1 2 398.224 2.003 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc(OC)c2)n1 ZINC000494716602 650815133 /nfs/dbraw/zinc/81/51/33/650815133.db2.gz DWVJNLUWVBAKKV-OAHLLOKOSA-N 1 2 381.523 2.332 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1csc(-c2cccc(OC)c2)n1 ZINC000494716602 650815134 /nfs/dbraw/zinc/81/51/34/650815134.db2.gz DWVJNLUWVBAKKV-OAHLLOKOSA-N 1 2 381.523 2.332 20 0 GEADLO CCOC(=O)CCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000102400568 643126011 /nfs/dbraw/zinc/12/60/11/643126011.db2.gz YOQOLLPDBQDWRE-UHFFFAOYSA-N 1 2 394.946 2.441 20 0 GEADLO CCOC(=O)CCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000102400568 643126017 /nfs/dbraw/zinc/12/60/17/643126017.db2.gz YOQOLLPDBQDWRE-UHFFFAOYSA-N 1 2 394.946 2.441 20 0 GEADLO CCn1c(SC[C@H](O)C[NH+]2CCOCC2)nnc1-c1cccc(Cl)c1 ZINC000102663853 643132054 /nfs/dbraw/zinc/13/20/54/643132054.db2.gz DXYHKDRDLJHYPK-OAHLLOKOSA-N 1 2 382.917 2.404 20 0 GEADLO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000102751905 643134960 /nfs/dbraw/zinc/13/49/60/643134960.db2.gz JGQDBVMDNBRPRO-PTJCHJMSSA-N 1 2 380.539 2.327 20 0 GEADLO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000102751905 643135003 /nfs/dbraw/zinc/13/50/03/643135003.db2.gz JGQDBVMDNBRPRO-PTJCHJMSSA-N 1 2 380.539 2.327 20 0 GEADLO Cc1ccsc1CNC(=O)C[N@@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000102925709 643146156 /nfs/dbraw/zinc/14/61/56/643146156.db2.gz FSVVEIDPOWFTJN-CYBMUJFWSA-N 1 2 381.523 2.013 20 0 GEADLO Cc1ccsc1CNC(=O)C[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000102925709 643146157 /nfs/dbraw/zinc/14/61/57/643146157.db2.gz FSVVEIDPOWFTJN-CYBMUJFWSA-N 1 2 381.523 2.013 20 0 GEADLO CS(=O)(=O)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000105401172 643205597 /nfs/dbraw/zinc/20/55/97/643205597.db2.gz PEEIBKQCHWQAPO-OAHLLOKOSA-N 1 2 397.294 2.169 20 0 GEADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3cccc(Br)c3)C2)CC1 ZINC000106548917 643233417 /nfs/dbraw/zinc/23/34/17/643233417.db2.gz AXXUGPUPNHVFSF-KRWDZBQOSA-N 1 2 395.345 2.371 20 0 GEADLO COc1ccc(Br)cc1NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106581056 643234220 /nfs/dbraw/zinc/23/42/20/643234220.db2.gz NZESMWZHQWQOJW-GFCCVEGCSA-N 1 2 385.306 2.215 20 0 GEADLO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000108150488 643266702 /nfs/dbraw/zinc/26/67/02/643266702.db2.gz SPRMYMMIYXAIOD-UHFFFAOYSA-N 1 2 387.433 2.102 20 0 GEADLO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1sccc1S(=O)(=O)C(F)F ZINC000108278934 643269824 /nfs/dbraw/zinc/26/98/24/643269824.db2.gz JENGZDPKBNWRBQ-SNVBAGLBSA-N 1 2 378.466 2.491 20 0 GEADLO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1sccc1S(=O)(=O)C(F)F ZINC000108278934 643269831 /nfs/dbraw/zinc/26/98/31/643269831.db2.gz JENGZDPKBNWRBQ-SNVBAGLBSA-N 1 2 378.466 2.491 20 0 GEADLO COCC[N@H+](CCOc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000108853359 643283957 /nfs/dbraw/zinc/28/39/57/643283957.db2.gz DILOSHGUOPOKRJ-ZDUSSCGKSA-N 1 2 381.416 2.220 20 0 GEADLO COCC[N@@H+](CCOc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000108853359 643283969 /nfs/dbraw/zinc/28/39/69/643283969.db2.gz DILOSHGUOPOKRJ-ZDUSSCGKSA-N 1 2 381.416 2.220 20 0 GEADLO Cc1ncc(CN2CCN(C(=O)C[N@@H+]3CCc4sccc4C3)CC2)s1 ZINC000110941013 643323196 /nfs/dbraw/zinc/32/31/96/643323196.db2.gz YTVHGUFCHRYHRK-UHFFFAOYSA-N 1 2 376.551 2.216 20 0 GEADLO Cc1ncc(CN2CCN(C(=O)C[N@H+]3CCc4sccc4C3)CC2)s1 ZINC000110941013 643323200 /nfs/dbraw/zinc/32/32/00/643323200.db2.gz YTVHGUFCHRYHRK-UHFFFAOYSA-N 1 2 376.551 2.216 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000497035530 650832155 /nfs/dbraw/zinc/83/21/55/650832155.db2.gz OBXNYNMCHQRYAT-ZDUSSCGKSA-N 1 2 387.307 2.177 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000111684281 643345291 /nfs/dbraw/zinc/34/52/91/643345291.db2.gz AUCGQSCFASMKLQ-HNNXBMFYSA-N 1 2 380.539 2.499 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000111684281 643345294 /nfs/dbraw/zinc/34/52/94/643345294.db2.gz AUCGQSCFASMKLQ-HNNXBMFYSA-N 1 2 380.539 2.499 20 0 GEADLO O=C(C[N@H+](CCO)CCOCC(F)(F)F)Nc1ccc(Br)cc1 ZINC000112982636 643379095 /nfs/dbraw/zinc/37/90/95/643379095.db2.gz KKKCVJMKSXRJDC-UHFFFAOYSA-N 1 2 399.207 2.261 20 0 GEADLO O=C(C[N@@H+](CCO)CCOCC(F)(F)F)Nc1ccc(Br)cc1 ZINC000112982636 643379098 /nfs/dbraw/zinc/37/90/98/643379098.db2.gz KKKCVJMKSXRJDC-UHFFFAOYSA-N 1 2 399.207 2.261 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000113003190 643379912 /nfs/dbraw/zinc/37/99/12/643379912.db2.gz NEOASVLWPGPDLJ-NEPJUHHUSA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000113003190 643379914 /nfs/dbraw/zinc/37/99/14/643379914.db2.gz NEOASVLWPGPDLJ-NEPJUHHUSA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000113002978 643379966 /nfs/dbraw/zinc/37/99/66/643379966.db2.gz AZSVLMWOVYSUTC-AAEUAGOBSA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000113002978 643379968 /nfs/dbraw/zinc/37/99/68/643379968.db2.gz AZSVLMWOVYSUTC-AAEUAGOBSA-N 1 2 384.325 2.488 20 0 GEADLO C[NH2+]C(C)(C)CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000538357503 650835286 /nfs/dbraw/zinc/83/52/86/650835286.db2.gz PYMUXPNHWXYUSR-UHFFFAOYSA-N 1 2 383.499 2.063 20 0 GEADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000538626801 650837891 /nfs/dbraw/zinc/83/78/91/650837891.db2.gz BFWFBHFKVXSCSG-UHFFFAOYSA-N 1 2 375.300 2.155 20 0 GEADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000538626801 650837896 /nfs/dbraw/zinc/83/78/96/650837896.db2.gz BFWFBHFKVXSCSG-UHFFFAOYSA-N 1 2 375.300 2.155 20 0 GEADLO Cn1cc(S(=O)(=O)NCC[NH2+]C2(c3c(Cl)cccc3Cl)CC2)cn1 ZINC000539336001 650842697 /nfs/dbraw/zinc/84/26/97/650842697.db2.gz SSCKCASJXWWRRO-UHFFFAOYSA-N 1 2 389.308 2.284 20 0 GEADLO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000539377043 650843835 /nfs/dbraw/zinc/84/38/35/650843835.db2.gz PGKPNGBCSHQCDJ-CQSZACIVSA-N 1 2 380.432 2.161 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000118468235 643513755 /nfs/dbraw/zinc/51/37/55/643513755.db2.gz CBELXBRBCRPTQA-IAQYHMDHSA-N 1 2 376.284 2.047 20 0 GEADLO O=S(=O)(c1cccc2c1N=S=N2)N1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000120751321 643623514 /nfs/dbraw/zinc/62/35/14/643623514.db2.gz YRSRUDYSUNEXBD-KGLIPLIRSA-N 1 2 382.511 2.023 20 0 GEADLO CC(C)N(C)S(=O)(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000122558477 643658595 /nfs/dbraw/zinc/65/85/95/643658595.db2.gz OCUKXTFSTLFQCG-UHFFFAOYSA-N 1 2 388.965 2.027 20 0 GEADLO CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1OC ZINC000539841116 650850880 /nfs/dbraw/zinc/85/08/80/650850880.db2.gz ZAGGMMYNXCXPNE-ZDUSSCGKSA-N 1 2 376.906 2.390 20 0 GEADLO CCCOc1c(Cl)cc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)cc1OC ZINC000539841116 650850884 /nfs/dbraw/zinc/85/08/84/650850884.db2.gz ZAGGMMYNXCXPNE-ZDUSSCGKSA-N 1 2 376.906 2.390 20 0 GEADLO C[C@H]1CCN(C(=O)CCn2cc(Br)ccc2=O)C[C@H]1n1cc[nH+]c1 ZINC000126005115 643717738 /nfs/dbraw/zinc/71/77/38/643717738.db2.gz DUYAMJNTUUJLJZ-DZGCQCFKSA-N 1 2 393.285 2.307 20 0 GEADLO CC(C)N(CCS(C)(=O)=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000128393503 643801286 /nfs/dbraw/zinc/80/12/86/643801286.db2.gz XNWWJNNQUIQDBC-OAHLLOKOSA-N 1 2 387.571 2.350 20 0 GEADLO C[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@H]1CO ZINC000498954804 650869980 /nfs/dbraw/zinc/86/99/80/650869980.db2.gz FGEWYKRJWVZCLY-WFASDCNBSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@H]1CO ZINC000498954804 650869981 /nfs/dbraw/zinc/86/99/81/650869981.db2.gz FGEWYKRJWVZCLY-WFASDCNBSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000130781750 643850591 /nfs/dbraw/zinc/85/05/91/643850591.db2.gz QDYSNFTVGOUGFT-GFCCVEGCSA-N 1 2 380.286 2.310 20 0 GEADLO C/C(=C/c1ccc(Cl)cc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000133119550 643892469 /nfs/dbraw/zinc/89/24/69/643892469.db2.gz BTSYBOUYVDVYPK-YPKPFQOOSA-N 1 2 384.929 2.369 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000134298337 643903713 /nfs/dbraw/zinc/90/37/13/643903713.db2.gz RIGCXMUSBCRLRK-SJCJKPOMSA-N 1 2 386.323 2.312 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cc(F)cc(Cl)c2)CC1 ZINC000153113656 643977595 /nfs/dbraw/zinc/97/75/95/643977595.db2.gz VACHZZFDEVATCF-UHFFFAOYSA-N 1 2 377.869 2.110 20 0 GEADLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000154199150 644024969 /nfs/dbraw/zinc/02/49/69/644024969.db2.gz DOUHIZAWYAETKJ-NHYWBVRUSA-N 1 2 379.869 2.086 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000542009505 650885629 /nfs/dbraw/zinc/88/56/29/650885629.db2.gz UQOKKOUWZAENRR-UHFFFAOYSA-N 1 2 386.264 2.423 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cs1 ZINC000158710215 644156164 /nfs/dbraw/zinc/15/61/64/644156164.db2.gz AHPHTVXDNQYVBR-UHFFFAOYSA-N 1 2 375.475 2.326 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000159003587 644171711 /nfs/dbraw/zinc/17/17/11/644171711.db2.gz NMFCOLHEIIQBAG-NSHDSACASA-N 1 2 385.839 2.364 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000159003587 644171715 /nfs/dbraw/zinc/17/17/15/644171715.db2.gz NMFCOLHEIIQBAG-NSHDSACASA-N 1 2 385.839 2.364 20 0 GEADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccc(Cl)nc2Cl)C[C@@H](C)O1 ZINC000170658065 644283711 /nfs/dbraw/zinc/28/37/11/644283711.db2.gz XLPKSLVZYISAQU-GHMZBOCLSA-N 1 2 382.313 2.166 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+](CCCCCO)CC1 ZINC000171143015 644314324 /nfs/dbraw/zinc/31/43/24/644314324.db2.gz NADSYMDRARWBFQ-UHFFFAOYSA-N 1 2 381.325 2.462 20 0 GEADLO COc1cncc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000543396881 650910274 /nfs/dbraw/zinc/91/02/74/650910274.db2.gz YUOPEBWGVLRCNL-SJORKVTESA-N 1 2 381.885 2.467 20 0 GEADLO COc1cncc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000543396881 650910276 /nfs/dbraw/zinc/91/02/76/650910276.db2.gz YUOPEBWGVLRCNL-SJORKVTESA-N 1 2 381.885 2.467 20 0 GEADLO CCc1nsc(N2CC[NH+](C[C@@H](O)COc3ccccc3Cl)CC2)n1 ZINC000174803447 644382898 /nfs/dbraw/zinc/38/28/98/644382898.db2.gz GEHNTWLIXXPXQG-CYBMUJFWSA-N 1 2 382.917 2.316 20 0 GEADLO CCc1nsc(N2CC[NH+](C[C@H](O)COc3ccccc3Cl)CC2)n1 ZINC000174803438 644383002 /nfs/dbraw/zinc/38/30/02/644383002.db2.gz GEHNTWLIXXPXQG-ZDUSSCGKSA-N 1 2 382.917 2.316 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000181711132 644943708 /nfs/dbraw/zinc/94/37/08/644943708.db2.gz RGPLPNTTWYDMLL-UHFFFAOYSA-N 1 2 390.311 2.484 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000183193870 644985926 /nfs/dbraw/zinc/98/59/26/644985926.db2.gz KGFPLJRBELQDTP-VHSXEESVSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000183193870 644985928 /nfs/dbraw/zinc/98/59/28/644985928.db2.gz KGFPLJRBELQDTP-VHSXEESVSA-N 1 2 375.252 2.421 20 0 GEADLO COc1cc(/C=C/C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc(Br)c1O ZINC000183408836 644992453 /nfs/dbraw/zinc/99/24/53/644992453.db2.gz NRBWZSPCUGOVAS-PCAWENJQSA-N 1 2 399.285 2.013 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)NN=c3cc(Cl)nc(N)[nH]3)cn2c1 ZINC000183791832 645003433 /nfs/dbraw/zinc/00/34/33/645003433.db2.gz AAQWMCOPGJVVHF-UHFFFAOYSA-N 1 2 377.861 2.045 20 0 GEADLO CC1([C@@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)OCCO1 ZINC000183847617 645005242 /nfs/dbraw/zinc/00/52/42/645005242.db2.gz HWZHCHGZZIPIEQ-HIFRSBDPSA-N 1 2 383.286 2.451 20 0 GEADLO CC1([C@@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)OCCO1 ZINC000183847617 645005247 /nfs/dbraw/zinc/00/52/47/645005247.db2.gz HWZHCHGZZIPIEQ-HIFRSBDPSA-N 1 2 383.286 2.451 20 0 GEADLO CNc1nnc(CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000184113719 645009684 /nfs/dbraw/zinc/00/96/84/645009684.db2.gz QBZWQMYBKCLIEL-SWLSCSKDSA-N 1 2 383.880 2.476 20 0 GEADLO CNc1nnc(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000184113719 645009688 /nfs/dbraw/zinc/00/96/88/645009688.db2.gz QBZWQMYBKCLIEL-SWLSCSKDSA-N 1 2 383.880 2.476 20 0 GEADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cs1 ZINC000184739768 645024898 /nfs/dbraw/zinc/02/48/98/645024898.db2.gz XNSKCJARTGPNIR-MNOVXSKESA-N 1 2 382.511 2.031 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000545505866 650977444 /nfs/dbraw/zinc/97/74/44/650977444.db2.gz VXLVWPJJULTKIN-LBPRGKRZSA-N 1 2 382.258 2.214 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000545505866 650977447 /nfs/dbraw/zinc/97/74/47/650977447.db2.gz VXLVWPJJULTKIN-LBPRGKRZSA-N 1 2 382.258 2.214 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1Cl ZINC000185709616 645051424 /nfs/dbraw/zinc/05/14/24/645051424.db2.gz YZRKUJIDWRBCMN-UHFFFAOYSA-N 1 2 378.947 2.139 20 0 GEADLO O=S(=O)([C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1)N1CCCC1 ZINC000187188514 645084643 /nfs/dbraw/zinc/08/46/43/645084643.db2.gz PDNNMQNOQOHQTG-XJKSGUPXSA-N 1 2 376.881 2.012 20 0 GEADLO O=S(=O)([C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1)N1CCCC1 ZINC000187188514 645084649 /nfs/dbraw/zinc/08/46/49/645084649.db2.gz PDNNMQNOQOHQTG-XJKSGUPXSA-N 1 2 376.881 2.012 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000188109295 645108389 /nfs/dbraw/zinc/10/83/89/645108389.db2.gz QNXUNDAYXRUZLW-UHFFFAOYSA-N 1 2 386.290 2.002 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000188109295 645108393 /nfs/dbraw/zinc/10/83/93/645108393.db2.gz QNXUNDAYXRUZLW-UHFFFAOYSA-N 1 2 386.290 2.002 20 0 GEADLO CCN(CCOc1ccc(Br)cc1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188629854 645122969 /nfs/dbraw/zinc/12/29/69/645122969.db2.gz HBSANPFSXDHGLV-UHFFFAOYSA-N 1 2 393.285 2.359 20 0 GEADLO Cn1c[nH+]cc1Cc1noc(-c2cc(Cn3cc(Br)cn3)on2)n1 ZINC000545843007 650981903 /nfs/dbraw/zinc/98/19/03/650981903.db2.gz YUAKVELYBXOEJZ-UHFFFAOYSA-N 1 2 390.201 2.056 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(C)nc2Cl)CC[N@@H+]1CCOC ZINC000189785297 645141162 /nfs/dbraw/zinc/14/11/62/645141162.db2.gz IXBRVNPQWMFQBJ-CQSZACIVSA-N 1 2 375.922 2.165 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(C)nc2Cl)CC[N@H+]1CCOC ZINC000189785297 645141163 /nfs/dbraw/zinc/14/11/63/645141163.db2.gz IXBRVNPQWMFQBJ-CQSZACIVSA-N 1 2 375.922 2.165 20 0 GEADLO Brc1ccc(N2CC[NH+](CCI)CC2)nc1 ZINC000190802753 645165556 /nfs/dbraw/zinc/16/55/56/645165556.db2.gz OESQYQSDESGLMF-UHFFFAOYSA-N 1 2 396.070 2.401 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000192585639 645212388 /nfs/dbraw/zinc/21/23/88/645212388.db2.gz IFGKQOJYCJUQJC-JKSUJKDBSA-N 1 2 376.881 2.089 20 0 GEADLO Cc1nc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)ccc1Br ZINC000193565250 645284485 /nfs/dbraw/zinc/28/44/85/645284485.db2.gz PYZJPZMXBLZHKW-UHFFFAOYSA-N 1 2 388.225 2.055 20 0 GEADLO O=C(CC[N@@H+]1CCOC[C@]12CCOC2)Nc1ccc(Br)cc1F ZINC000193708812 645292320 /nfs/dbraw/zinc/29/23/20/645292320.db2.gz QUJUPPVZESLDOZ-MRXNPFEDSA-N 1 2 387.249 2.408 20 0 GEADLO O=C(CC[N@H+]1CCOC[C@]12CCOC2)Nc1ccc(Br)cc1F ZINC000193708812 645292326 /nfs/dbraw/zinc/29/23/26/645292326.db2.gz QUJUPPVZESLDOZ-MRXNPFEDSA-N 1 2 387.249 2.408 20 0 GEADLO C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000195336718 645372044 /nfs/dbraw/zinc/37/20/44/645372044.db2.gz SLFSPGKATUQKLT-QGZVFWFLSA-N 1 2 386.279 2.483 20 0 GEADLO C[C@@H]([NH2+]Cc1cc(Br)c(O)c(Br)c1)C(=O)N(C)C ZINC000235217111 645408782 /nfs/dbraw/zinc/40/87/82/645408782.db2.gz WCKBEEIBAFMBPV-SSDOTTSWSA-N 1 2 380.080 2.484 20 0 GEADLO CC[C@@H](CCO)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546861847 651012070 /nfs/dbraw/zinc/01/20/70/651012070.db2.gz QZFPDTFDHBPQBW-ZDUSSCGKSA-N 1 2 383.290 2.408 20 0 GEADLO Cc1cc2c(cc1Br)N(C[C@@H](O)C[NH+]1CCOCC1)C[C@H](C)O2 ZINC000246197842 645477878 /nfs/dbraw/zinc/47/78/78/645477878.db2.gz WRIRKBPUZJIKSV-KBPBESRZSA-N 1 2 385.302 2.038 20 0 GEADLO C[C@@H](NC(=O)[C@H](C)Oc1cccc(Br)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000246603752 645486614 /nfs/dbraw/zinc/48/66/14/645486614.db2.gz BOZIMULBMRKPPJ-MCIONIFRSA-N 1 2 385.302 2.442 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000246768007 645493370 /nfs/dbraw/zinc/49/33/70/645493370.db2.gz OILJVKPGDMYWNS-TZMCWYRMSA-N 1 2 383.432 2.200 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000246768007 645493373 /nfs/dbraw/zinc/49/33/73/645493373.db2.gz OILJVKPGDMYWNS-TZMCWYRMSA-N 1 2 383.432 2.200 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000246767988 645493554 /nfs/dbraw/zinc/49/35/54/645493554.db2.gz OILJVKPGDMYWNS-GXTWGEPZSA-N 1 2 383.432 2.200 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000246767988 645493561 /nfs/dbraw/zinc/49/35/61/645493561.db2.gz OILJVKPGDMYWNS-GXTWGEPZSA-N 1 2 383.432 2.200 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCCC[C@@H](SC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000246789213 645494457 /nfs/dbraw/zinc/49/44/57/645494457.db2.gz MFCDLYPJACWDJR-ARFHVFGLSA-N 1 2 376.588 2.018 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCCC[C@@H](SC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000246789213 645494463 /nfs/dbraw/zinc/49/44/63/645494463.db2.gz MFCDLYPJACWDJR-ARFHVFGLSA-N 1 2 376.588 2.018 20 0 GEADLO C[C@H]1CCCC[N@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000248540753 645530933 /nfs/dbraw/zinc/53/09/33/645530933.db2.gz BMYXXVOFOBNEIU-HOTGVXAUSA-N 1 2 384.567 2.386 20 0 GEADLO C[C@H]1CCCC[N@@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000248540753 645530938 /nfs/dbraw/zinc/53/09/38/645530938.db2.gz BMYXXVOFOBNEIU-HOTGVXAUSA-N 1 2 384.567 2.386 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)[C@H](C)C1 ZINC000249179820 645548751 /nfs/dbraw/zinc/54/87/51/645548751.db2.gz MZKMNFZBKKJVKB-NEPJUHHUSA-N 1 2 398.472 2.374 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)[C@H](C)C1 ZINC000249179820 645548765 /nfs/dbraw/zinc/54/87/65/645548765.db2.gz MZKMNFZBKKJVKB-NEPJUHHUSA-N 1 2 398.472 2.374 20 0 GEADLO O=S(=O)(c1cn2c(n1)CCCC2)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261771796 645598937 /nfs/dbraw/zinc/59/89/37/645598937.db2.gz ZENFYGLRAQBTRH-HNNXBMFYSA-N 1 2 380.901 2.208 20 0 GEADLO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000261888444 645609549 /nfs/dbraw/zinc/60/95/49/645609549.db2.gz SNCBORDIKVHFKU-HNNXBMFYSA-N 1 2 380.901 2.411 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000264366177 645680281 /nfs/dbraw/zinc/68/02/81/645680281.db2.gz BZYXJOCVAFVWAX-LBPRGKRZSA-N 1 2 384.889 2.000 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000264366177 645680288 /nfs/dbraw/zinc/68/02/88/645680288.db2.gz BZYXJOCVAFVWAX-LBPRGKRZSA-N 1 2 384.889 2.000 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000264994704 645735390 /nfs/dbraw/zinc/73/53/90/645735390.db2.gz XWIOWBBWDBMAHJ-QWHCGFSZSA-N 1 2 388.559 2.320 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000264994704 645735399 /nfs/dbraw/zinc/73/53/99/645735399.db2.gz XWIOWBBWDBMAHJ-QWHCGFSZSA-N 1 2 388.559 2.320 20 0 GEADLO COc1ccc(Br)c(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000547628702 651040097 /nfs/dbraw/zinc/04/00/97/651040097.db2.gz LIOUJEFMXPOUIZ-LBPRGKRZSA-N 1 2 379.258 2.468 20 0 GEADLO C[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCS1(=O)=O ZINC000265711191 645793581 /nfs/dbraw/zinc/79/35/81/645793581.db2.gz WAEXUCUEUVQVHD-QWHCGFSZSA-N 1 2 386.543 2.026 20 0 GEADLO C[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCS1(=O)=O ZINC000265711191 645793592 /nfs/dbraw/zinc/79/35/92/645793592.db2.gz WAEXUCUEUVQVHD-QWHCGFSZSA-N 1 2 386.543 2.026 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2sc(C)c(Br)c2OC)CC1 ZINC000266327916 645840123 /nfs/dbraw/zinc/84/01/23/645840123.db2.gz RHZHZILNXHIAFB-UHFFFAOYSA-N 1 2 377.304 2.232 20 0 GEADLO O=C(CSc1n[nH]c(=S)s1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000266946914 645866926 /nfs/dbraw/zinc/86/69/26/645866926.db2.gz DBGILYCXHWNACZ-UHFFFAOYSA-N 1 2 396.563 2.068 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCc2cc(Cl)ccc2Br)C1 ZINC000267458578 645904227 /nfs/dbraw/zinc/90/42/27/645904227.db2.gz QTKJUWJPXBUIBJ-AWEZNQCLSA-N 1 2 388.737 2.397 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCc2cc(Cl)ccc2Br)C1 ZINC000267458578 645904236 /nfs/dbraw/zinc/90/42/36/645904236.db2.gz QTKJUWJPXBUIBJ-AWEZNQCLSA-N 1 2 388.737 2.397 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@H]1CSCCS1 ZINC000267872189 645930105 /nfs/dbraw/zinc/93/01/05/645930105.db2.gz QQYADORHYHHDBK-IAGOWNOFSA-N 1 2 381.567 2.035 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@H]1CSCCS1 ZINC000267872189 645930110 /nfs/dbraw/zinc/93/01/10/645930110.db2.gz QQYADORHYHHDBK-IAGOWNOFSA-N 1 2 381.567 2.035 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000268021560 645940223 /nfs/dbraw/zinc/94/02/23/645940223.db2.gz BRSHIRIXUGOZLE-NSHDSACASA-N 1 2 383.857 2.418 20 0 GEADLO CCc1cc(Br)ccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000268754804 645996239 /nfs/dbraw/zinc/99/62/39/645996239.db2.gz YBOYRCJAZAITEF-UHFFFAOYSA-N 1 2 379.258 2.353 20 0 GEADLO Cn1cc([C@H](CO)[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)cn1 ZINC000270158053 646088806 /nfs/dbraw/zinc/08/88/06/646088806.db2.gz FBSIUDVTTFNVKC-HNNXBMFYSA-N 1 2 376.258 2.396 20 0 GEADLO C[N@@H+]1CCN(CCS(=O)(=O)c2cccc(Br)c2)C(C)(C)C1 ZINC000271047457 646168377 /nfs/dbraw/zinc/16/83/77/646168377.db2.gz OSPLLEHVKWKXLV-UHFFFAOYSA-N 1 2 375.332 2.249 20 0 GEADLO C[N@H+]1CCN(CCS(=O)(=O)c2cccc(Br)c2)C(C)(C)C1 ZINC000271047457 646168379 /nfs/dbraw/zinc/16/83/79/646168379.db2.gz OSPLLEHVKWKXLV-UHFFFAOYSA-N 1 2 375.332 2.249 20 0 GEADLO COC(=O)C1(O)CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000271399609 646201136 /nfs/dbraw/zinc/20/11/36/646201136.db2.gz NKDMYMGOIWCTOR-NSHDSACASA-N 1 2 389.279 2.171 20 0 GEADLO C[C@@H]1CCN(C(=O)c2nccn3c(Br)cnc23)C[C@@H]1n1cc[nH+]c1 ZINC000271457210 646208351 /nfs/dbraw/zinc/20/83/51/646208351.db2.gz SPYAKSDSOCJOCE-NEPJUHHUSA-N 1 2 389.257 2.412 20 0 GEADLO COc1ccc(C[N@@H+](CCCO)CC(OC)OC)c(Br)c1OC ZINC000272782157 646285936 /nfs/dbraw/zinc/28/59/36/646285936.db2.gz ZCHDRBBURBMVOC-UHFFFAOYSA-N 1 2 392.290 2.270 20 0 GEADLO COc1ccc(C[N@H+](CCCO)CC(OC)OC)c(Br)c1OC ZINC000272782157 646285940 /nfs/dbraw/zinc/28/59/40/646285940.db2.gz ZCHDRBBURBMVOC-UHFFFAOYSA-N 1 2 392.290 2.270 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cnc1Br ZINC000273011564 646296685 /nfs/dbraw/zinc/29/66/85/646296685.db2.gz XNNRNFJIIJZJSS-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO CCN(C)C(=O)C[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000274784743 646330974 /nfs/dbraw/zinc/33/09/74/646330974.db2.gz LYMRLAQDWZTGFA-LLVKDONJSA-N 1 2 380.290 2.467 20 0 GEADLO O=C1N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1CCC[NH+]1CCOCC1 ZINC000277550772 646440623 /nfs/dbraw/zinc/44/06/23/646440623.db2.gz WMRNRMPYBZLIPF-OAHLLOKOSA-N 1 2 386.279 2.179 20 0 GEADLO CC[N@@H+]1CCCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000278937330 646564243 /nfs/dbraw/zinc/56/42/43/646564243.db2.gz YAMINOQQWLQCHR-UHFFFAOYSA-N 1 2 380.919 2.213 20 0 GEADLO CC[N@H+]1CCCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000278937330 646564247 /nfs/dbraw/zinc/56/42/47/646564247.db2.gz YAMINOQQWLQCHR-UHFFFAOYSA-N 1 2 380.919 2.213 20 0 GEADLO COc1ccc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)nc1Br ZINC000279363014 646595203 /nfs/dbraw/zinc/59/52/03/646595203.db2.gz RZCNQPGCMOQAMQ-UHFFFAOYSA-N 1 2 386.290 2.036 20 0 GEADLO COc1ccc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)nc1Br ZINC000279363014 646595208 /nfs/dbraw/zinc/59/52/08/646595208.db2.gz RZCNQPGCMOQAMQ-UHFFFAOYSA-N 1 2 386.290 2.036 20 0 GEADLO C[C@H]([C@H](C)NC(=O)N[C@@H](C)c1ccc(Br)cn1)[NH+]1CCOCC1 ZINC000279542194 646609504 /nfs/dbraw/zinc/60/95/04/646609504.db2.gz APMCYRQOSHIRBR-RWMBFGLXSA-N 1 2 385.306 2.314 20 0 GEADLO Cc1nn(C)c(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1Br ZINC000279763681 646624948 /nfs/dbraw/zinc/62/49/48/646624948.db2.gz FEYVROZPUNBDJA-DOMZBBRYSA-N 1 2 382.306 2.170 20 0 GEADLO Cc1nn(C)c(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1Br ZINC000279763681 646624952 /nfs/dbraw/zinc/62/49/52/646624952.db2.gz FEYVROZPUNBDJA-DOMZBBRYSA-N 1 2 382.306 2.170 20 0 GEADLO CCc1n[nH]c(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1Br ZINC000279810153 646629125 /nfs/dbraw/zinc/62/91/25/646629125.db2.gz UEKUYJVIBJEFAS-SKDRFNHKSA-N 1 2 382.262 2.118 20 0 GEADLO O=C(C[NH2+]Cc1c(F)ccc(I)c1F)NCC(F)F ZINC000280266063 646665396 /nfs/dbraw/zinc/66/53/96/646665396.db2.gz KFSHGHLAAKTHTB-UHFFFAOYSA-N 1 2 390.118 2.040 20 0 GEADLO Cc1ccc([C@@H]([NH2+]CC(=O)NCc2cccs2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280805337 646718818 /nfs/dbraw/zinc/71/88/18/646718818.db2.gz LFUJMTYPKHIGGM-KSSFIOAISA-N 1 2 380.535 2.437 20 0 GEADLO C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(Br)cn1 ZINC000280886850 646728834 /nfs/dbraw/zinc/72/88/34/646728834.db2.gz NMWOXGHZEHEXOX-LBPRGKRZSA-N 1 2 385.306 2.315 20 0 GEADLO C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(Br)cn1 ZINC000280886850 646728838 /nfs/dbraw/zinc/72/88/38/646728838.db2.gz NMWOXGHZEHEXOX-LBPRGKRZSA-N 1 2 385.306 2.315 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000281028445 646738905 /nfs/dbraw/zinc/73/89/05/646738905.db2.gz WGOANXZJAVKCGU-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000281028445 646738910 /nfs/dbraw/zinc/73/89/10/646738910.db2.gz WGOANXZJAVKCGU-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO C[C@H](NC(=O)C1(c2cncc(Br)c2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000281113729 646747011 /nfs/dbraw/zinc/74/70/11/646747011.db2.gz BMPPBJITPIATER-STQMWFEESA-N 1 2 382.302 2.101 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC[C@@H]4COC(=O)N[C@H]4C3)c[nH+]c12 ZINC000281150443 646749479 /nfs/dbraw/zinc/74/94/79/646749479.db2.gz FMXWUPJIJMAKOQ-RISCZKNCSA-N 1 2 379.258 2.336 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)CCc3c[nH+]cn3C)nc12 ZINC000281500262 646775758 /nfs/dbraw/zinc/77/57/58/646775758.db2.gz HEQBTENQBNOXNA-UHFFFAOYSA-N 1 2 376.258 2.388 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000286148661 646867245 /nfs/dbraw/zinc/86/72/45/646867245.db2.gz ZUBBRKNVMMPZKM-YGRLFVJLSA-N 1 2 377.242 2.266 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000286148661 646867251 /nfs/dbraw/zinc/86/72/51/646867251.db2.gz ZUBBRKNVMMPZKM-YGRLFVJLSA-N 1 2 377.242 2.266 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000287889173 646900059 /nfs/dbraw/zinc/90/00/59/646900059.db2.gz GUEGKZXLKBYEQT-CYBMUJFWSA-N 1 2 377.242 2.027 20 0 GEADLO COc1c(Br)cc(Cl)cc1S(=O)(=O)NCc1c[nH+]cn1C ZINC000290205718 647171950 /nfs/dbraw/zinc/17/19/50/647171950.db2.gz NFRFZMPQYIIJRA-UHFFFAOYSA-N 1 2 394.678 2.323 20 0 GEADLO COc1ccc(C[NH2+]C2(CO)COC(C)(C)OC2)c(Br)c1OC ZINC000291087244 647176386 /nfs/dbraw/zinc/17/63/86/647176386.db2.gz HJIUTYJJUMQVHL-UHFFFAOYSA-N 1 2 390.274 2.070 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cnc(Br)s2)C1 ZINC000295566771 647234555 /nfs/dbraw/zinc/23/45/55/647234555.db2.gz QUOSSOIVQCGDLG-GHMZBOCLSA-N 1 2 376.320 2.269 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnc(Br)s2)C1 ZINC000295566771 647234557 /nfs/dbraw/zinc/23/45/57/647234557.db2.gz QUOSSOIVQCGDLG-GHMZBOCLSA-N 1 2 376.320 2.269 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cccc(Br)c2F)C1 ZINC000296663200 647254127 /nfs/dbraw/zinc/25/41/27/647254127.db2.gz FKIFFLNDZVKRTM-TZMCWYRMSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(Br)c2F)C1 ZINC000296663200 647254133 /nfs/dbraw/zinc/25/41/33/647254133.db2.gz FKIFFLNDZVKRTM-TZMCWYRMSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cccc(Br)c2F)C1 ZINC000296663193 647254230 /nfs/dbraw/zinc/25/42/30/647254230.db2.gz FKIFFLNDZVKRTM-GXTWGEPZSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cccc(Br)c2F)C1 ZINC000296663193 647254236 /nfs/dbraw/zinc/25/42/36/647254236.db2.gz FKIFFLNDZVKRTM-GXTWGEPZSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cccc(Br)c2F)C1 ZINC000296663195 647254404 /nfs/dbraw/zinc/25/44/04/647254404.db2.gz FKIFFLNDZVKRTM-JSGCOSHPSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cccc(Br)c2F)C1 ZINC000296663195 647254407 /nfs/dbraw/zinc/25/44/07/647254407.db2.gz FKIFFLNDZVKRTM-JSGCOSHPSA-N 1 2 376.266 2.434 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)c2cnc(Br)c(Br)c2)c1 ZINC000313362402 647283378 /nfs/dbraw/zinc/28/33/78/647283378.db2.gz VKAQHKRRHGIZHS-UHFFFAOYSA-N 1 2 388.063 2.313 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c(Cl)c1Cl ZINC000331218939 647372263 /nfs/dbraw/zinc/37/22/63/647372263.db2.gz XMFPDQXYAMFFQS-QWRGUYRKSA-N 1 2 397.324 2.078 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(Cl)c1Cl ZINC000331218939 647372268 /nfs/dbraw/zinc/37/22/68/647372268.db2.gz XMFPDQXYAMFFQS-QWRGUYRKSA-N 1 2 397.324 2.078 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(Cl)c1Cl ZINC000331218940 647372396 /nfs/dbraw/zinc/37/23/96/647372396.db2.gz XMFPDQXYAMFFQS-WDEREUQCSA-N 1 2 397.324 2.078 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(Cl)c1Cl ZINC000331218940 647372401 /nfs/dbraw/zinc/37/24/01/647372401.db2.gz XMFPDQXYAMFFQS-WDEREUQCSA-N 1 2 397.324 2.078 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000331372292 647382823 /nfs/dbraw/zinc/38/28/23/647382823.db2.gz AAECUUPSRHFALM-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000331372292 647382825 /nfs/dbraw/zinc/38/28/25/647382825.db2.gz AAECUUPSRHFALM-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000331577555 647390719 /nfs/dbraw/zinc/39/07/19/647390719.db2.gz LCQDQVPDJNKBHT-LLVKDONJSA-N 1 2 394.269 2.153 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000331577555 647390721 /nfs/dbraw/zinc/39/07/21/647390721.db2.gz LCQDQVPDJNKBHT-LLVKDONJSA-N 1 2 394.269 2.153 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000332523580 647441455 /nfs/dbraw/zinc/44/14/55/647441455.db2.gz NNVQSVCWHGEDNE-JSGCOSHPSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332523580 647441459 /nfs/dbraw/zinc/44/14/59/647441459.db2.gz NNVQSVCWHGEDNE-JSGCOSHPSA-N 1 2 386.901 2.374 20 0 GEADLO CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000334098492 647490426 /nfs/dbraw/zinc/49/04/26/647490426.db2.gz URNBTMLEDBDBPJ-YDHLFZDLSA-N 1 2 385.555 2.481 20 0 GEADLO CC[C@H]1C[N@@H+](CC)CCN1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000334098492 647490431 /nfs/dbraw/zinc/49/04/31/647490431.db2.gz URNBTMLEDBDBPJ-YDHLFZDLSA-N 1 2 385.555 2.481 20 0 GEADLO Cc1sc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1CS(C)(=O)=O ZINC000349848578 647524406 /nfs/dbraw/zinc/52/44/06/647524406.db2.gz IZHTYJQFEVMENH-CYBMUJFWSA-N 1 2 385.511 2.433 20 0 GEADLO Cc1sc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1CS(C)(=O)=O ZINC000349848578 647524411 /nfs/dbraw/zinc/52/44/11/647524411.db2.gz IZHTYJQFEVMENH-CYBMUJFWSA-N 1 2 385.511 2.433 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000363143674 647586550 /nfs/dbraw/zinc/58/65/50/647586550.db2.gz HXXNRUQPVGBJBW-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000363143674 647586554 /nfs/dbraw/zinc/58/65/54/647586554.db2.gz HXXNRUQPVGBJBW-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO Brc1cccc(-c2c[nH]c(C[N@@H+]3CCN4CCOC[C@H]4C3)n2)c1 ZINC000363884050 647609778 /nfs/dbraw/zinc/60/97/78/647609778.db2.gz FGXCCRBATOXNDC-OAHLLOKOSA-N 1 2 377.286 2.356 20 0 GEADLO Brc1cccc(-c2c[nH]c(C[N@H+]3CCN4CCOC[C@H]4C3)n2)c1 ZINC000363884050 647609784 /nfs/dbraw/zinc/60/97/84/647609784.db2.gz FGXCCRBATOXNDC-OAHLLOKOSA-N 1 2 377.286 2.356 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000363969680 647614418 /nfs/dbraw/zinc/61/44/18/647614418.db2.gz KUKAWXFLVCKWER-CQSZACIVSA-N 1 2 392.301 2.464 20 0 GEADLO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000364525017 647632724 /nfs/dbraw/zinc/63/27/24/647632724.db2.gz MZAWTCWUVBWAPB-LBPRGKRZSA-N 1 2 391.269 2.446 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000364753314 647640389 /nfs/dbraw/zinc/64/03/89/647640389.db2.gz FKWXVDBLYHXAJA-GFCCVEGCSA-N 1 2 376.931 2.160 20 0 GEADLO C[C@H](CS(C)(=O)=O)NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000365332751 647667872 /nfs/dbraw/zinc/66/78/72/647667872.db2.gz FRERIHUBQKGJEH-XNRPHZJLSA-N 1 2 387.933 2.065 20 0 GEADLO C[C@H](CS(C)(=O)=O)NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000365332751 647667875 /nfs/dbraw/zinc/66/78/75/647667875.db2.gz FRERIHUBQKGJEH-XNRPHZJLSA-N 1 2 387.933 2.065 20 0 GEADLO O=C(Nc1cc(Br)ccc1F)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000365721110 647682675 /nfs/dbraw/zinc/68/26/75/647682675.db2.gz YIMOHCPPOSTDRF-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366115293 647693280 /nfs/dbraw/zinc/69/32/80/647693280.db2.gz ZYFGFBMQYNLURD-OAHLLOKOSA-N 1 2 398.301 2.120 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366115293 647693283 /nfs/dbraw/zinc/69/32/83/647693283.db2.gz ZYFGFBMQYNLURD-OAHLLOKOSA-N 1 2 398.301 2.120 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367090283 647719327 /nfs/dbraw/zinc/71/93/27/647719327.db2.gz XDJJGKSFIPDENU-KBPBESRZSA-N 1 2 376.881 2.152 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367090283 647719335 /nfs/dbraw/zinc/71/93/35/647719335.db2.gz XDJJGKSFIPDENU-KBPBESRZSA-N 1 2 376.881 2.152 20 0 GEADLO CN1CC[NH+]([C@@H]2CCCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 ZINC000367281960 647726720 /nfs/dbraw/zinc/72/67/20/647726720.db2.gz FNGIGIXEFJOWIW-GOSISDBHSA-N 1 2 385.961 2.272 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000368093249 647750570 /nfs/dbraw/zinc/75/05/70/647750570.db2.gz PRWORFZREPGHJB-UHFFFAOYSA-N 1 2 382.917 2.202 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000368093249 647750573 /nfs/dbraw/zinc/75/05/73/647750573.db2.gz PRWORFZREPGHJB-UHFFFAOYSA-N 1 2 382.917 2.202 20 0 GEADLO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368175406 647752857 /nfs/dbraw/zinc/75/28/57/647752857.db2.gz APQGJKIXQMYXAS-JKSUJKDBSA-N 1 2 388.295 2.189 20 0 GEADLO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368175406 647752863 /nfs/dbraw/zinc/75/28/63/647752863.db2.gz APQGJKIXQMYXAS-JKSUJKDBSA-N 1 2 388.295 2.189 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)sc1Br ZINC000368575296 647759436 /nfs/dbraw/zinc/75/94/36/647759436.db2.gz NDDAOAVGZNATKK-SSDOTTSWSA-N 1 2 375.260 2.047 20 0 GEADLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC000368697465 647764523 /nfs/dbraw/zinc/76/45/23/647764523.db2.gz XDULWOVOSDWSNS-UHFFFAOYSA-N 1 2 375.300 2.384 20 0 GEADLO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC000368697465 647764527 /nfs/dbraw/zinc/76/45/27/647764527.db2.gz XDULWOVOSDWSNS-UHFFFAOYSA-N 1 2 375.300 2.384 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000368829752 647765741 /nfs/dbraw/zinc/76/57/41/647765741.db2.gz MTMJWNYQDOFMKE-UHFFFAOYSA-N 1 2 379.551 2.059 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000368829752 647765746 /nfs/dbraw/zinc/76/57/46/647765746.db2.gz MTMJWNYQDOFMKE-UHFFFAOYSA-N 1 2 379.551 2.059 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000368837433 647766619 /nfs/dbraw/zinc/76/66/19/647766619.db2.gz DFIBYUQZKJHCKZ-LBPRGKRZSA-N 1 2 388.295 2.041 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000368837433 647766624 /nfs/dbraw/zinc/76/66/24/647766624.db2.gz DFIBYUQZKJHCKZ-LBPRGKRZSA-N 1 2 388.295 2.041 20 0 GEADLO Cc1cccc(C(=O)N2CCC[N@@H+](CC(=O)NC(C)C)CC2)c1Br ZINC000371115653 647785735 /nfs/dbraw/zinc/78/57/35/647785735.db2.gz ANXDKKHAJCCKPW-UHFFFAOYSA-N 1 2 396.329 2.430 20 0 GEADLO Cc1cccc(C(=O)N2CCC[N@H+](CC(=O)NC(C)C)CC2)c1Br ZINC000371115653 647785741 /nfs/dbraw/zinc/78/57/41/647785741.db2.gz ANXDKKHAJCCKPW-UHFFFAOYSA-N 1 2 396.329 2.430 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2cc(C)ccc2Br)CC1 ZINC000371287143 647790388 /nfs/dbraw/zinc/79/03/88/647790388.db2.gz LNZWLRRCILZEKV-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2cc(C)ccc2Br)CC1 ZINC000371287143 647790392 /nfs/dbraw/zinc/79/03/92/647790392.db2.gz LNZWLRRCILZEKV-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO CN1C(=O)CSC12CC[NH+]([C@H]1CCN(c3ccccc3Cl)C1=O)CC2 ZINC000371793985 647799062 /nfs/dbraw/zinc/79/90/62/647799062.db2.gz CRELCRYAKSWGRF-HNNXBMFYSA-N 1 2 379.913 2.443 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCOC[C@@H]3c3ncon3)c[nH+]c12 ZINC000371802181 647800122 /nfs/dbraw/zinc/80/01/22/647800122.db2.gz JVALKTAJSMAUBB-CYBMUJFWSA-N 1 2 378.230 2.362 20 0 GEADLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1c[nH]c(=O)c(Br)c1 ZINC000372451465 647804861 /nfs/dbraw/zinc/80/48/61/647804861.db2.gz MFEYKWZBNGLHEF-LBPRGKRZSA-N 1 2 377.242 2.344 20 0 GEADLO Cn1cnc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)c1Cl ZINC000374312480 647821017 /nfs/dbraw/zinc/82/10/17/647821017.db2.gz OJJISBVYIIATOS-LBPRGKRZSA-N 1 2 375.281 2.062 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1Br ZINC000374342327 647822031 /nfs/dbraw/zinc/82/20/31/647822031.db2.gz SSAMWSGVNQUSLH-LBPRGKRZSA-N 1 2 391.269 2.446 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000375934034 647836680 /nfs/dbraw/zinc/83/66/80/647836680.db2.gz QSHMTDGICLKTFR-GFCCVEGCSA-N 1 2 383.495 2.145 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000378440104 647881341 /nfs/dbraw/zinc/88/13/41/647881341.db2.gz ZFIWMYJXTUBUAL-ZETCQYMHSA-N 1 2 381.326 2.294 20 0 GEADLO CN1CCN(C)[C@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000405815234 647911731 /nfs/dbraw/zinc/91/17/31/647911731.db2.gz VKFOCIZZJFPZBT-CYBMUJFWSA-N 1 2 393.700 2.280 20 0 GEADLO CNC(=O)NC1CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000412053256 648042541 /nfs/dbraw/zinc/04/25/41/648042541.db2.gz HPVSXWFNIDPSBI-UHFFFAOYSA-N 1 2 383.283 2.468 20 0 GEADLO C[C@@H](O)CNc1cc(NC[C@@H](C)Oc2ccc(Br)cc2)nc[nH+]1 ZINC000413166406 648061455 /nfs/dbraw/zinc/06/14/55/648061455.db2.gz IPXVGFBFIKQLBL-VXGBXAGGSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@@H](O)CNc1cc(NC[C@@H](C)Oc2ccc(Br)cc2)[nH+]cn1 ZINC000413166406 648061460 /nfs/dbraw/zinc/06/14/60/648061460.db2.gz IPXVGFBFIKQLBL-VXGBXAGGSA-N 1 2 381.274 2.911 20 0 GEADLO COCC(COC)[NH+]1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000413470778 648065598 /nfs/dbraw/zinc/06/55/98/648065598.db2.gz DEHQAPTWGMDSLI-UHFFFAOYSA-N 1 2 378.698 2.281 20 0 GEADLO COc1cc(OC)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1Cl ZINC000416471690 648137142 /nfs/dbraw/zinc/13/71/42/648137142.db2.gz QULNUUQYXPEVIA-ZDUSSCGKSA-N 1 2 376.906 2.318 20 0 GEADLO COc1cc(OC)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1Cl ZINC000416471690 648137144 /nfs/dbraw/zinc/13/71/44/648137144.db2.gz QULNUUQYXPEVIA-ZDUSSCGKSA-N 1 2 376.906 2.318 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NC(C)(C)C[NH+](C)C)c(F)c1Cl ZINC000416509465 648153972 /nfs/dbraw/zinc/15/39/72/648153972.db2.gz ROLNCJDTLKNLSY-UHFFFAOYSA-N 1 2 383.848 2.195 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1Cl ZINC000416662202 648205487 /nfs/dbraw/zinc/20/54/87/648205487.db2.gz KNVTWUBRBIJXJW-WDEREUQCSA-N 1 2 397.324 2.078 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1Cl ZINC000416662202 648205492 /nfs/dbraw/zinc/20/54/92/648205492.db2.gz KNVTWUBRBIJXJW-WDEREUQCSA-N 1 2 397.324 2.078 20 0 GEADLO CN(CC[NH+]1CCOCC1)Cc1ccc(F)cc1I ZINC000417766434 648261512 /nfs/dbraw/zinc/26/15/12/648261512.db2.gz PFOBCHFDCUTYTD-UHFFFAOYSA-N 1 2 378.229 2.194 20 0 GEADLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1sc(C)cc1Br ZINC000418120418 648282527 /nfs/dbraw/zinc/28/25/27/648282527.db2.gz HQGNQZVHIOOLGF-LLVKDONJSA-N 1 2 375.288 2.073 20 0 GEADLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1sc(C)cc1Br ZINC000418120418 648282534 /nfs/dbraw/zinc/28/25/34/648282534.db2.gz HQGNQZVHIOOLGF-LLVKDONJSA-N 1 2 375.288 2.073 20 0 GEADLO Cc1c(Cl)c(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)nn1C ZINC000421358626 648488987 /nfs/dbraw/zinc/48/89/87/648488987.db2.gz UHAHNFSSPKWECQ-UHFFFAOYSA-N 1 2 395.287 2.243 20 0 GEADLO CNC(=O)[C@H]1CC[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000421389861 648490051 /nfs/dbraw/zinc/49/00/51/648490051.db2.gz MSASHAMNCQOHIX-QMMMGPOBSA-N 1 2 377.080 2.175 20 0 GEADLO CNC(=O)[C@H]1CC[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000421389861 648490052 /nfs/dbraw/zinc/49/00/52/648490052.db2.gz MSASHAMNCQOHIX-QMMMGPOBSA-N 1 2 377.080 2.175 20 0 GEADLO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc(S(C)(=O)=O)s2)cc1 ZINC000421873180 648509561 /nfs/dbraw/zinc/50/95/61/648509561.db2.gz DSWYFHZFZJBVPT-CQSZACIVSA-N 1 2 382.507 2.193 20 0 GEADLO Cc1cc(CNC(=O)C(=O)N(C)Cc2cc(Br)cn2C)cc(C)[nH+]1 ZINC000422588967 648561111 /nfs/dbraw/zinc/56/11/11/648561111.db2.gz LPMVLHYJHQLOEY-UHFFFAOYSA-N 1 2 393.285 2.074 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000423127866 648583411 /nfs/dbraw/zinc/58/34/11/648583411.db2.gz PTUWPQCVXHAHOO-CQSZACIVSA-N 1 2 397.298 2.359 20 0 GEADLO C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)c1c(F)cccc1Cl ZINC000424539564 648633706 /nfs/dbraw/zinc/63/37/06/648633706.db2.gz CMLNRUUVVFZXEW-UWVGGRQHSA-N 1 2 377.794 2.017 20 0 GEADLO COc1ncc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1Br ZINC000424578500 648636182 /nfs/dbraw/zinc/63/61/82/648636182.db2.gz SBSAFDOOHOYQEY-UHFFFAOYSA-N 1 2 379.258 2.358 20 0 GEADLO Cc1oc(Br)cc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000424842328 648651940 /nfs/dbraw/zinc/65/19/40/648651940.db2.gz AUWDFEOJFJSFCZ-UHFFFAOYSA-N 1 2 392.253 2.446 20 0 GEADLO Cc1oc(Br)cc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000424842328 648651942 /nfs/dbraw/zinc/65/19/42/648651942.db2.gz AUWDFEOJFJSFCZ-UHFFFAOYSA-N 1 2 392.253 2.446 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000425209446 648671267 /nfs/dbraw/zinc/67/12/67/648671267.db2.gz UHIYDURYHNGFQT-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428486665 648735441 /nfs/dbraw/zinc/73/54/41/648735441.db2.gz WREFGLDSQBKILC-HIFRSBDPSA-N 1 2 395.301 2.185 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000429896606 648758584 /nfs/dbraw/zinc/75/85/84/648758584.db2.gz QUOSLXSIOIUNDM-HNNXBMFYSA-N 1 2 382.917 2.359 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000429896606 648758589 /nfs/dbraw/zinc/75/85/89/648758589.db2.gz QUOSLXSIOIUNDM-HNNXBMFYSA-N 1 2 382.917 2.359 20 0 GEADLO CCNc1ncc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC000430710721 648765943 /nfs/dbraw/zinc/76/59/43/648765943.db2.gz UBDALMRGAXPCCF-HNNXBMFYSA-N 1 2 376.551 2.922 20 0 GEADLO CCNc1ncc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC000430710721 648765947 /nfs/dbraw/zinc/76/59/47/648765947.db2.gz UBDALMRGAXPCCF-HNNXBMFYSA-N 1 2 376.551 2.922 20 0 GEADLO Cn1ncc(I)c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000431834088 648772196 /nfs/dbraw/zinc/77/21/96/648772196.db2.gz LGAWMEZZZHKSSS-UHFFFAOYSA-N 1 2 393.188 2.463 20 0 GEADLO Cc1csc(NC(=O)C[NH2+][C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)n1 ZINC000435894828 648789256 /nfs/dbraw/zinc/78/92/56/648789256.db2.gz XLCREPKPXRSQMG-BBRMVZONSA-N 1 2 381.523 2.462 20 0 GEADLO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc(Br)c1O ZINC000436859262 648797683 /nfs/dbraw/zinc/79/76/83/648797683.db2.gz SJTXUJAETKBKAH-NSHDSACASA-N 1 2 375.238 2.134 20 0 GEADLO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc(Br)c1O ZINC000436859262 648797688 /nfs/dbraw/zinc/79/76/88/648797688.db2.gz SJTXUJAETKBKAH-NSHDSACASA-N 1 2 375.238 2.134 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000443094410 648861382 /nfs/dbraw/zinc/86/13/82/648861382.db2.gz LETDUKSACJJMOI-LLVKDONJSA-N 1 2 379.463 2.251 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)N(CCC(C)C)CCC(C)C)CC1 ZINC000443307214 648871324 /nfs/dbraw/zinc/87/13/24/648871324.db2.gz BZHAACHJFDFHNW-GOSISDBHSA-N 1 2 377.595 2.014 20 0 GEADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N1CCSC[C@H]1CCO ZINC000443584947 648882310 /nfs/dbraw/zinc/88/23/10/648882310.db2.gz YXMLIUIZMYBOJF-OAHLLOKOSA-N 1 2 383.945 2.208 20 0 GEADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N1CCSC[C@H]1CCO ZINC000443584947 648882313 /nfs/dbraw/zinc/88/23/13/648882313.db2.gz YXMLIUIZMYBOJF-OAHLLOKOSA-N 1 2 383.945 2.208 20 0 GEADLO Cn1c[nH+]cc1CC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000548397865 651078207 /nfs/dbraw/zinc/07/82/07/651078207.db2.gz BNUBRQFVRAAFNX-UHFFFAOYSA-N 1 2 376.214 2.092 20 0 GEADLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000548924616 651089325 /nfs/dbraw/zinc/08/93/25/651089325.db2.gz MSPCRNGSBKXTTL-CQSZACIVSA-N 1 2 377.432 2.158 20 0 GEADLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000548924616 651089327 /nfs/dbraw/zinc/08/93/27/651089327.db2.gz MSPCRNGSBKXTTL-CQSZACIVSA-N 1 2 377.432 2.158 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000549125230 651092479 /nfs/dbraw/zinc/09/24/79/651092479.db2.gz CQQFBKSIWTYYFE-HOTGVXAUSA-N 1 2 387.933 2.209 20 0 GEADLO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC000550421094 651111100 /nfs/dbraw/zinc/11/11/00/651111100.db2.gz NMYCIUQGCRMCNJ-CJNGLKHVSA-N 1 2 383.945 2.413 20 0 GEADLO Cc1cc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)n(C)n1 ZINC000551517725 651127064 /nfs/dbraw/zinc/12/70/64/651127064.db2.gz RCHZMJCHSYRZQT-AWEZNQCLSA-N 1 2 384.299 2.499 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCc3c[nH+]ccc32)c1OC ZINC000551516772 651127117 /nfs/dbraw/zinc/12/71/17/651127117.db2.gz SCSXRGYKAHTMGX-UHFFFAOYSA-N 1 2 382.825 2.282 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@H]1SCCc3sccc31)C2 ZINC000552007156 651137678 /nfs/dbraw/zinc/13/76/78/651137678.db2.gz LJYHCLFBHIUWLZ-SJKOYZFVSA-N 1 2 377.535 2.249 20 0 GEADLO Cn1nncc1C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000552051511 651138819 /nfs/dbraw/zinc/13/88/19/651138819.db2.gz GAXWNSUUYPNQAP-UHFFFAOYSA-N 1 2 389.257 2.117 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000552467198 651149923 /nfs/dbraw/zinc/14/99/23/651149923.db2.gz GGRJRQLHIJVXKE-LLVKDONJSA-N 1 2 382.555 2.060 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000552467198 651149924 /nfs/dbraw/zinc/14/99/24/651149924.db2.gz GGRJRQLHIJVXKE-LLVKDONJSA-N 1 2 382.555 2.060 20 0 GEADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2csc(C)n2)c1 ZINC000552564035 651152669 /nfs/dbraw/zinc/15/26/69/651152669.db2.gz NPFVVVSLDLLHFU-MNOVXSKESA-N 1 2 382.511 2.037 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)[C@H](C)C1 ZINC000553001713 651162155 /nfs/dbraw/zinc/16/21/55/651162155.db2.gz NAIBCTCJUKETQO-SNVBAGLBSA-N 1 2 398.248 2.334 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)[C@H](C)C1 ZINC000553001713 651162156 /nfs/dbraw/zinc/16/21/56/651162156.db2.gz NAIBCTCJUKETQO-SNVBAGLBSA-N 1 2 398.248 2.334 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1cc(F)c(F)cc1Br ZINC000553658878 651184547 /nfs/dbraw/zinc/18/45/47/651184547.db2.gz YJOUDVNRRNIRER-JTQLQIEISA-N 1 2 392.244 2.247 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1cc(F)c(F)cc1Br ZINC000553658878 651184550 /nfs/dbraw/zinc/18/45/50/651184550.db2.gz YJOUDVNRRNIRER-JTQLQIEISA-N 1 2 392.244 2.247 20 0 GEADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000557459125 651269470 /nfs/dbraw/zinc/26/94/70/651269470.db2.gz QRYYZWFZUUWOIQ-ZDUSSCGKSA-N 1 2 377.286 2.368 20 0 GEADLO CCCCNc1cc(NCc2ccc(S(C)(=O)=O)c(Cl)c2)nc(N)[nH+]1 ZINC000557684970 651272322 /nfs/dbraw/zinc/27/23/22/651272322.db2.gz XBQNDAXOUKKWQU-UHFFFAOYSA-N 1 2 383.905 2.362 20 0 GEADLO CCCCNc1cc(NCc2ccc(S(C)(=O)=O)c(Cl)c2)[nH+]c(N)n1 ZINC000557684970 651272324 /nfs/dbraw/zinc/27/23/24/651272324.db2.gz XBQNDAXOUKKWQU-UHFFFAOYSA-N 1 2 383.905 2.362 20 0 GEADLO CCn1c(-c2ccccc2Br)nnc1N(C)CC[NH+]1CCOCC1 ZINC000558884420 651287702 /nfs/dbraw/zinc/28/77/02/651287702.db2.gz NJRFQCCKOFMARZ-UHFFFAOYSA-N 1 2 394.317 2.496 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)cc(N(C)C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000559581446 651297970 /nfs/dbraw/zinc/29/79/70/651297970.db2.gz FUSQUGRFQCUHFI-STQMWFEESA-N 1 2 384.318 2.354 20 0 GEADLO CS(=O)(=O)c1cc(CNC(=O)CCn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000560132139 651303974 /nfs/dbraw/zinc/30/39/74/651303974.db2.gz RNHFIJCWBSOWSZ-UHFFFAOYSA-N 1 2 375.372 2.012 20 0 GEADLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000560169599 651304359 /nfs/dbraw/zinc/30/43/59/651304359.db2.gz FJEIIJXVGDMUAA-GASCZTMLSA-N 1 2 396.329 2.207 20 0 GEADLO Cc1csc([C@@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C(F)(F)F)n1 ZINC000560437287 651309650 /nfs/dbraw/zinc/30/96/50/651309650.db2.gz DOUBEEPLKYNZIA-GRYCIOLGSA-N 1 2 378.420 2.217 20 0 GEADLO Cc1csc([C@@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C(F)(F)F)n1 ZINC000560437287 651309652 /nfs/dbraw/zinc/30/96/52/651309652.db2.gz DOUBEEPLKYNZIA-GRYCIOLGSA-N 1 2 378.420 2.217 20 0 GEADLO COC(=O)[C@H]([NH3+])Cc1cn(Cc2csc(-c3ccc(Cl)cc3)n2)nn1 ZINC000603202028 651472004 /nfs/dbraw/zinc/47/20/04/651472004.db2.gz ANDPKGPHYWRLHA-CQSZACIVSA-N 1 2 377.857 2.146 20 0 GEADLO COC(=O)[C@H]([NH3+])Cc1cn(CC/C=C/c2ccc(Br)cc2)nn1 ZINC000603227668 651472807 /nfs/dbraw/zinc/47/28/07/651472807.db2.gz NROPWUTZUJPNQI-TXTHVTMNSA-N 1 2 379.258 2.187 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1cc(F)c(F)cc1Br ZINC000561500081 651479350 /nfs/dbraw/zinc/47/93/50/651479350.db2.gz AUPRJEOBAWOAEP-JTQLQIEISA-N 1 2 392.244 2.247 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726260413 651488502 /nfs/dbraw/zinc/48/85/02/651488502.db2.gz ZUZJVFUYVUHJJP-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726260413 651488508 /nfs/dbraw/zinc/48/85/08/651488508.db2.gz ZUZJVFUYVUHJJP-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](Cc1cccc(Br)c1)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726256165 651488905 /nfs/dbraw/zinc/48/89/05/651488905.db2.gz KNNJEZMEUBIMKE-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](Cc1cccc(Br)c1)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726256165 651488906 /nfs/dbraw/zinc/48/89/06/651488906.db2.gz KNNJEZMEUBIMKE-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO CN(C)c1ncc(Br)cc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000603468276 651495073 /nfs/dbraw/zinc/49/50/73/651495073.db2.gz FJOZVTXUJZEFOM-UHFFFAOYSA-N 1 2 377.242 2.209 20 0 GEADLO C[C@]1(c2ccc(Br)cc2)CC(=O)N(C[N@@H+]2CCCOCC2)C1=O ZINC000726784547 651502435 /nfs/dbraw/zinc/50/24/35/651502435.db2.gz MNNJVWGPXGJDPV-QGZVFWFLSA-N 1 2 381.270 2.146 20 0 GEADLO C[C@]1(c2ccc(Br)cc2)CC(=O)N(C[N@H+]2CCCOCC2)C1=O ZINC000726784547 651502441 /nfs/dbraw/zinc/50/24/41/651502441.db2.gz MNNJVWGPXGJDPV-QGZVFWFLSA-N 1 2 381.270 2.146 20 0 GEADLO CC[N@H+](CCOC)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000726785493 651502606 /nfs/dbraw/zinc/50/26/06/651502606.db2.gz ZTWVNQOJWPXXLL-KRWDZBQOSA-N 1 2 383.286 2.392 20 0 GEADLO CC[N@@H+](CCOC)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000726785493 651502611 /nfs/dbraw/zinc/50/26/11/651502611.db2.gz ZTWVNQOJWPXXLL-KRWDZBQOSA-N 1 2 383.286 2.392 20 0 GEADLO C[N@H+](C[C@H](O)C[NH+](CCC(=O)[O-])Cc1cccc(Br)c1)C1CC1 ZINC000563290619 651522623 /nfs/dbraw/zinc/52/26/23/651522623.db2.gz YCWKJOQCTABJIH-INIZCTEOSA-N 1 2 385.302 2.181 20 0 GEADLO C[N@@H+](C[C@H](O)C[NH+](CCC(=O)[O-])Cc1cccc(Br)c1)C1CC1 ZINC000563290619 651522629 /nfs/dbraw/zinc/52/26/29/651522629.db2.gz YCWKJOQCTABJIH-INIZCTEOSA-N 1 2 385.302 2.181 20 0 GEADLO C[NH+](C[C@H](O)C[N@H+](CCC(=O)[O-])Cc1cccc(Br)c1)C1CC1 ZINC000563290619 651522633 /nfs/dbraw/zinc/52/26/33/651522633.db2.gz YCWKJOQCTABJIH-INIZCTEOSA-N 1 2 385.302 2.181 20 0 GEADLO C[NH+](C[C@H](O)C[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1)C1CC1 ZINC000563290619 651522636 /nfs/dbraw/zinc/52/26/36/651522636.db2.gz YCWKJOQCTABJIH-INIZCTEOSA-N 1 2 385.302 2.181 20 0 GEADLO O=C([C@H]1CC(=O)Nc2ccc(Br)cc21)N1CCn2c[nH+]cc2C1 ZINC000563696400 651537923 /nfs/dbraw/zinc/53/79/23/651537923.db2.gz NDXWZHBKEBVSIU-ZDUSSCGKSA-N 1 2 375.226 2.114 20 0 GEADLO O=S(=O)(c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1)C(F)(F)F ZINC000728566056 651546081 /nfs/dbraw/zinc/54/60/81/651546081.db2.gz ARQHWFSFQXKGNJ-GJZGRUSLSA-N 1 2 378.416 2.016 20 0 GEADLO CN(C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000564050681 651553011 /nfs/dbraw/zinc/55/30/11/651553011.db2.gz GGTLRAOVTQBZPL-OWCLPIDISA-N 1 2 381.929 2.165 20 0 GEADLO CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000564050681 651553016 /nfs/dbraw/zinc/55/30/16/651553016.db2.gz GGTLRAOVTQBZPL-OWCLPIDISA-N 1 2 381.929 2.165 20 0 GEADLO O=C(Nc1cnc2c(Br)cccn12)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000564883351 651583054 /nfs/dbraw/zinc/58/30/54/651583054.db2.gz PMQGWFRQGZEUFQ-SNVBAGLBSA-N 1 2 375.230 2.430 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000566224568 651604686 /nfs/dbraw/zinc/60/46/86/651604686.db2.gz SMIHNEQMIQCVSM-LBPRGKRZSA-N 1 2 385.686 2.425 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000730810301 651609922 /nfs/dbraw/zinc/60/99/22/651609922.db2.gz GYTJRXDGHNJMED-SECBINFHSA-N 1 2 392.250 2.160 20 0 GEADLO COC(=O)c1ccccc1NC(=O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000566761256 651610909 /nfs/dbraw/zinc/61/09/09/651610909.db2.gz JWCCGGZZJNDPMR-UHFFFAOYSA-N 1 2 395.257 2.003 20 0 GEADLO COC(=O)c1ccccc1NC(=O)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000566761256 651610914 /nfs/dbraw/zinc/61/09/14/651610914.db2.gz JWCCGGZZJNDPMR-UHFFFAOYSA-N 1 2 395.257 2.003 20 0 GEADLO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000731006658 651615532 /nfs/dbraw/zinc/61/55/32/651615532.db2.gz QEXPKKWTLCFWAU-JTQLQIEISA-N 1 2 375.422 2.418 20 0 GEADLO CCn1cc(Br)cc1C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000566861391 651615959 /nfs/dbraw/zinc/61/59/59/651615959.db2.gz SBRYEABAGHHIKC-CYBMUJFWSA-N 1 2 395.301 2.055 20 0 GEADLO CSCc1cccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731755238 651634840 /nfs/dbraw/zinc/63/48/40/651634840.db2.gz ZKVTVFRAJJAEKI-UHFFFAOYSA-N 1 2 385.555 2.180 20 0 GEADLO CO[C@@H](CS(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000645681527 651636438 /nfs/dbraw/zinc/63/64/38/651636438.db2.gz UNUTYSPGSABATC-ROUUACIJSA-N 1 2 386.583 2.194 20 0 GEADLO CO[C@@H](CS(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(C)C ZINC000645681527 651636440 /nfs/dbraw/zinc/63/64/40/651636440.db2.gz UNUTYSPGSABATC-ROUUACIJSA-N 1 2 386.583 2.194 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C2CC2)C1 ZINC000732203219 651648538 /nfs/dbraw/zinc/64/85/38/651648538.db2.gz QEFYJWAHWBAZFA-ZIAGYGMSSA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C2CC2)C1 ZINC000732203219 651648541 /nfs/dbraw/zinc/64/85/41/651648541.db2.gz QEFYJWAHWBAZFA-ZIAGYGMSSA-N 1 2 394.320 2.385 20 0 GEADLO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)Cc1cn[nH]c1 ZINC000610662185 651676434 /nfs/dbraw/zinc/67/64/34/651676434.db2.gz SYAHUVRGEHJQQJ-SNVBAGLBSA-N 1 2 384.221 2.473 20 0 GEADLO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)Cc1cn[nH]c1 ZINC000610662185 651676439 /nfs/dbraw/zinc/67/64/39/651676439.db2.gz SYAHUVRGEHJQQJ-SNVBAGLBSA-N 1 2 384.221 2.473 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000569037485 651695887 /nfs/dbraw/zinc/69/58/87/651695887.db2.gz FSCMEOORYVSXAE-INIZCTEOSA-N 1 2 390.933 2.122 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000569037485 651695890 /nfs/dbraw/zinc/69/58/90/651695890.db2.gz FSCMEOORYVSXAE-INIZCTEOSA-N 1 2 390.933 2.122 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C[C@@H]1C ZINC000611087844 651705925 /nfs/dbraw/zinc/70/59/25/651705925.db2.gz NVTLPNXWCXVWFK-JTQLQIEISA-N 1 2 398.248 2.334 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C[C@@H]1C ZINC000611087844 651705926 /nfs/dbraw/zinc/70/59/26/651705926.db2.gz NVTLPNXWCXVWFK-JTQLQIEISA-N 1 2 398.248 2.334 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000569416736 651712619 /nfs/dbraw/zinc/71/26/19/651712619.db2.gz CXPBJMAISKUJAE-INIZCTEOSA-N 1 2 383.279 2.417 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000569802220 651725580 /nfs/dbraw/zinc/72/55/80/651725580.db2.gz QWIDDALBLICGEM-VBNZEHGJSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000569802220 651725585 /nfs/dbraw/zinc/72/55/85/651725585.db2.gz QWIDDALBLICGEM-VBNZEHGJSA-N 1 2 383.286 2.196 20 0 GEADLO O=C1C[C@H]([N@H+]2CC=CCC2)C(=O)N1c1ccc(I)cc1 ZINC000611508427 651727534 /nfs/dbraw/zinc/72/75/34/651727534.db2.gz MOYQXVIEDXXHRM-ZDUSSCGKSA-N 1 2 382.201 2.185 20 0 GEADLO O=C1C[C@H]([N@@H+]2CC=CCC2)C(=O)N1c1ccc(I)cc1 ZINC000611508427 651727535 /nfs/dbraw/zinc/72/75/35/651727535.db2.gz MOYQXVIEDXXHRM-ZDUSSCGKSA-N 1 2 382.201 2.185 20 0 GEADLO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000570078975 651745118 /nfs/dbraw/zinc/74/51/18/651745118.db2.gz GVSVIUWJQJGJLD-JSGCOSHPSA-N 1 2 388.559 2.031 20 0 GEADLO CS(=O)(=O)c1csc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000647693549 651754744 /nfs/dbraw/zinc/75/47/44/651754744.db2.gz SUNVCRMTWPEQOC-UHFFFAOYSA-N 1 2 399.563 2.386 20 0 GEADLO Cn1ncc(Cl)c1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000612533083 651760381 /nfs/dbraw/zinc/76/03/81/651760381.db2.gz VPCOAGQAOMZJNY-UHFFFAOYSA-N 1 2 382.295 2.279 20 0 GEADLO O=C(Nc1ccncc1I)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000612757549 651769607 /nfs/dbraw/zinc/76/96/07/651769607.db2.gz IRRWFNDWUBYPQA-NSHDSACASA-N 1 2 397.220 2.174 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3cc(OC(F)F)ccc3Br)C[C@@H]2N1 ZINC000648041702 651771004 /nfs/dbraw/zinc/77/10/04/651771004.db2.gz AHYYBRIJRPSXEF-STQMWFEESA-N 1 2 391.212 2.140 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3cc(OC(F)F)ccc3Br)C[C@@H]2N1 ZINC000648041702 651771007 /nfs/dbraw/zinc/77/10/07/651771007.db2.gz AHYYBRIJRPSXEF-STQMWFEESA-N 1 2 391.212 2.140 20 0 GEADLO O=C(C[NH2+]Cc1occc1Br)N1CCN(c2ccccc2)CC1 ZINC000735323744 651778358 /nfs/dbraw/zinc/77/83/58/651778358.db2.gz BELYMIJOYQEKPO-UHFFFAOYSA-N 1 2 378.270 2.481 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC1 ZINC000613672251 651791807 /nfs/dbraw/zinc/79/18/07/651791807.db2.gz QIZRTBGGLDCEFV-LBPRGKRZSA-N 1 2 394.269 2.243 20 0 GEADLO O=S1(=O)C[C@@H](C[NH2+]Cc2ncc(C(F)(F)F)s2)Oc2ccccc21 ZINC000570800768 651792416 /nfs/dbraw/zinc/79/24/16/651792416.db2.gz ZRCISJBUFPXPLE-SECBINFHSA-N 1 2 378.397 2.486 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@@H+]1CCO ZINC000613698131 651793028 /nfs/dbraw/zinc/79/30/28/651793028.db2.gz RPLPSRFGHLAMCF-GFCCVEGCSA-N 1 2 394.269 2.243 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@H+]1CCO ZINC000613698131 651793032 /nfs/dbraw/zinc/79/30/32/651793032.db2.gz RPLPSRFGHLAMCF-GFCCVEGCSA-N 1 2 394.269 2.243 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000735754742 651794456 /nfs/dbraw/zinc/79/44/56/651794456.db2.gz ATJXVFUEIRKLBS-IAQYHMDHSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000735754742 651794460 /nfs/dbraw/zinc/79/44/60/651794460.db2.gz ATJXVFUEIRKLBS-IAQYHMDHSA-N 1 2 376.284 2.047 20 0 GEADLO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@@H]1CCn2cc[nH+]c2C1 ZINC000570886099 651797564 /nfs/dbraw/zinc/79/75/64/651797564.db2.gz VPYJMXFKJCNEOC-CQSZACIVSA-N 1 2 389.253 2.425 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000648773153 651801133 /nfs/dbraw/zinc/80/11/33/651801133.db2.gz ZHGNQZWBLNVSSC-SNVBAGLBSA-N 1 2 384.299 2.197 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc3c(cncc3Br)s2)CC[N@@H+]1CCO ZINC000648867692 651807562 /nfs/dbraw/zinc/80/75/62/651807562.db2.gz XUIZZHFAJOOQLC-SNVBAGLBSA-N 1 2 384.299 2.197 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc3c(cncc3Br)s2)CC[N@H+]1CCO ZINC000648867692 651807566 /nfs/dbraw/zinc/80/75/66/651807566.db2.gz XUIZZHFAJOOQLC-SNVBAGLBSA-N 1 2 384.299 2.197 20 0 GEADLO COc1cc(Br)c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1OC ZINC000649124123 651816117 /nfs/dbraw/zinc/81/61/17/651816117.db2.gz WCVXJVWDNYTLQM-GFCCVEGCSA-N 1 2 399.285 2.013 20 0 GEADLO NS(=O)(=O)c1cc(F)c(NCCCCn2cc[nH+]c2)c(Br)c1 ZINC000571235158 651819601 /nfs/dbraw/zinc/81/96/01/651819601.db2.gz COIFJVIVRPEYOB-UHFFFAOYSA-N 1 2 391.266 2.324 20 0 GEADLO COC(=O)C(C)(C)CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000571241714 651820235 /nfs/dbraw/zinc/82/02/35/651820235.db2.gz ZJBYYBIKQQNOMA-CABCVRRESA-N 1 2 388.917 2.204 20 0 GEADLO COC(=O)C(C)(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000571241714 651820241 /nfs/dbraw/zinc/82/02/41/651820241.db2.gz ZJBYYBIKQQNOMA-CABCVRRESA-N 1 2 388.917 2.204 20 0 GEADLO C[C@@H]1CN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC[S@@](=O)C1 ZINC000571286379 651823190 /nfs/dbraw/zinc/82/31/90/651823190.db2.gz JTUNOEGMOVHLJW-YMXBGEKHSA-N 1 2 380.901 2.436 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000649467657 651827285 /nfs/dbraw/zinc/82/72/85/651827285.db2.gz HDQFBISIUHXLGA-CHWSQXEVSA-N 1 2 376.906 2.126 20 0 GEADLO Cc1noc(C2(C)CC[NH+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)CC2)n1 ZINC000649581241 651831072 /nfs/dbraw/zinc/83/10/72/651831072.db2.gz YVSYNDXYCDYLEM-UHFFFAOYSA-N 1 2 384.889 2.233 20 0 GEADLO Cc1c(Br)ccnc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000571744987 651850899 /nfs/dbraw/zinc/85/08/99/651850899.db2.gz DBWOFEZSXFLXBL-YPMHNXCESA-N 1 2 383.290 2.479 20 0 GEADLO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000615263373 651858069 /nfs/dbraw/zinc/85/80/69/651858069.db2.gz AVGSYFLLAPCFRH-KBPBESRZSA-N 1 2 387.249 2.229 20 0 GEADLO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000615263373 651858071 /nfs/dbraw/zinc/85/80/71/651858071.db2.gz AVGSYFLLAPCFRH-KBPBESRZSA-N 1 2 387.249 2.229 20 0 GEADLO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(O)c(OC)cc1Br ZINC000571961370 651863552 /nfs/dbraw/zinc/86/35/52/651863552.db2.gz UOEOFQQVFHQOPY-NSHDSACASA-N 1 2 377.304 2.121 20 0 GEADLO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615536362 651866180 /nfs/dbraw/zinc/86/61/80/651866180.db2.gz UVUXQBPCJKWDGR-CYBMUJFWSA-N 1 2 393.285 2.262 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1Br ZINC000615547925 651867152 /nfs/dbraw/zinc/86/71/52/651867152.db2.gz MPYCNMPONXSSDZ-LBPRGKRZSA-N 1 2 385.306 2.232 20 0 GEADLO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c(Br)c1 ZINC000615553677 651867580 /nfs/dbraw/zinc/86/75/80/651867580.db2.gz SBWMQLSALYMNIX-ZDUSSCGKSA-N 1 2 383.286 2.395 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651108503 651872337 /nfs/dbraw/zinc/87/23/37/651872337.db2.gz OYZMPGVPSJQKNV-JSGCOSHPSA-N 1 2 383.286 2.152 20 0 GEADLO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC000651203574 651875710 /nfs/dbraw/zinc/87/57/10/651875710.db2.gz YSTQXGIPNRAMLD-MRXNPFEDSA-N 1 2 382.551 2.307 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000738354229 651892208 /nfs/dbraw/zinc/89/22/08/651892208.db2.gz APOOCAWCEPSZJJ-LLVKDONJSA-N 1 2 382.313 2.024 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000738354229 651892212 /nfs/dbraw/zinc/89/22/12/651892212.db2.gz APOOCAWCEPSZJJ-LLVKDONJSA-N 1 2 382.313 2.024 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)[C@H](C)C1 ZINC000651651691 651893369 /nfs/dbraw/zinc/89/33/69/651893369.db2.gz HASWUWJUQUJRQU-ZJUUUORDSA-N 1 2 387.354 2.272 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)[C@H](C)C1 ZINC000651651691 651893371 /nfs/dbraw/zinc/89/33/71/651893371.db2.gz HASWUWJUQUJRQU-ZJUUUORDSA-N 1 2 387.354 2.272 20 0 GEADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651742868 651894840 /nfs/dbraw/zinc/89/48/40/651894840.db2.gz ACOCJTCXFDBFOH-UWVGGRQHSA-N 1 2 387.354 2.272 20 0 GEADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651742868 651894842 /nfs/dbraw/zinc/89/48/42/651894842.db2.gz ACOCJTCXFDBFOH-UWVGGRQHSA-N 1 2 387.354 2.272 20 0 GEADLO C[NH+](C)CCC(=O)Nc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1 ZINC000739381917 651902471 /nfs/dbraw/zinc/90/24/71/651902471.db2.gz HSNVKNKCZYGMBZ-UHFFFAOYSA-N 1 2 382.873 2.426 20 0 GEADLO COC(=O)[C@H](CNc1nc(C)[nH+]cc1C)Oc1ccc(Br)cc1 ZINC000573020561 651929265 /nfs/dbraw/zinc/92/92/65/651929265.db2.gz PCAFJKDOOSKQSD-AWEZNQCLSA-N 1 2 380.242 2.888 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2ccc(C)cc2Br)CC1 ZINC000652999320 651931444 /nfs/dbraw/zinc/93/14/44/651931444.db2.gz UXRVIDHHSLMRIB-UHFFFAOYSA-N 1 2 385.302 2.178 20 0 GEADLO CC[NH+](CC)Cc1nc(C2(NS(=O)(=O)CCCCF)CCCC2)no1 ZINC000573100169 651934266 /nfs/dbraw/zinc/93/42/66/651934266.db2.gz QEWPRTVQTMVPSO-UHFFFAOYSA-N 1 2 376.498 2.350 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654427956 651961229 /nfs/dbraw/zinc/96/12/29/651961229.db2.gz IVSKFKVLPNBZGC-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654427956 651961235 /nfs/dbraw/zinc/96/12/35/651961235.db2.gz IVSKFKVLPNBZGC-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)COc2ccc(Br)cc2F)[C@H](C)CO1 ZINC000617744125 651969628 /nfs/dbraw/zinc/96/96/28/651969628.db2.gz SPLNDHLCKZYMQH-VXGBXAGGSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)COc2ccc(Br)cc2F)[C@H](C)CO1 ZINC000617744125 651969633 /nfs/dbraw/zinc/96/96/33/651969633.db2.gz SPLNDHLCKZYMQH-VXGBXAGGSA-N 1 2 389.265 2.192 20 0 GEADLO CC(C)[C@H]1C[N@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CCS1 ZINC000743395253 652019387 /nfs/dbraw/zinc/01/93/87/652019387.db2.gz GZANQKTYKPLWCF-CQSZACIVSA-N 1 2 381.523 2.112 20 0 GEADLO CC(C)[C@H]1C[N@@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CCS1 ZINC000743395253 652019393 /nfs/dbraw/zinc/01/93/93/652019393.db2.gz GZANQKTYKPLWCF-CQSZACIVSA-N 1 2 381.523 2.112 20 0 GEADLO C[C@@]([NH3+])(C(=O)N1CCC(c2n[nH]c(=O)o2)CC1)c1ccc(Br)cc1 ZINC000574636306 652032626 /nfs/dbraw/zinc/03/26/26/652032626.db2.gz WLQCCXFOSGVWAI-INIZCTEOSA-N 1 2 395.257 2.118 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000656548943 652038388 /nfs/dbraw/zinc/03/83/88/652038388.db2.gz TZLYDTZOJVFUJO-OAHLLOKOSA-N 1 2 379.258 2.429 20 0 GEADLO N[C@](C(=O)NC[C@H]1CC[NH2+]CC1(F)F)(c1cccc(Cl)c1)C(F)(F)F ZINC000574755091 652041420 /nfs/dbraw/zinc/04/14/20/652041420.db2.gz XALWFUFXOMZOJR-YGRLFVJLSA-N 1 2 385.764 2.417 20 0 GEADLO NC(=O)c1csc(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)n1 ZINC000656714227 652047879 /nfs/dbraw/zinc/04/78/79/652047879.db2.gz GRDGVBQPBJYNBO-VIFPVBQESA-N 1 2 376.265 2.078 20 0 GEADLO O=C1N[C@H](c2ccccc2Br)C(=O)N1[C@@H]1CCn2cc[nH+]c2C1 ZINC000656812678 652055768 /nfs/dbraw/zinc/05/57/68/652055768.db2.gz RHOLSGCHYZAZGU-QMTHXVAHSA-N 1 2 375.226 2.254 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2CC[NH+](C)C)s1 ZINC000575046322 652060561 /nfs/dbraw/zinc/06/05/61/652060561.db2.gz KQHOBDNBGXJHGI-UHFFFAOYSA-N 1 2 381.523 2.289 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c(Cl)c1 ZINC000575831189 652080575 /nfs/dbraw/zinc/08/05/75/652080575.db2.gz ILQYTSSJSJXESE-IAQYHMDHSA-N 1 2 385.873 2.281 20 0 GEADLO O=C(Cc1c[nH]c2cccc(Br)c12)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000575998121 652089673 /nfs/dbraw/zinc/08/96/73/652089673.db2.gz RARFRCSFCLDEDW-OKILXGFUSA-N 1 2 392.297 2.452 20 0 GEADLO O=C(Cc1c[nH]c2cccc(Br)c12)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000575998121 652089679 /nfs/dbraw/zinc/08/96/79/652089679.db2.gz RARFRCSFCLDEDW-OKILXGFUSA-N 1 2 392.297 2.452 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)sc1Br ZINC000657063435 652098626 /nfs/dbraw/zinc/09/86/26/652098626.db2.gz XOSYWEZJTGCKTC-VIFPVBQESA-N 1 2 382.349 2.365 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)sc1Br ZINC000657063435 652098632 /nfs/dbraw/zinc/09/86/32/652098632.db2.gz XOSYWEZJTGCKTC-VIFPVBQESA-N 1 2 382.349 2.365 20 0 GEADLO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CC[NH+](C2CCCC2)CC1 ZINC000746429160 652105726 /nfs/dbraw/zinc/10/57/26/652105726.db2.gz AAROBNOJYZGSQW-UHFFFAOYSA-N 1 2 386.949 2.302 20 0 GEADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746470783 652108959 /nfs/dbraw/zinc/10/89/59/652108959.db2.gz XMJIJULTIUIPKN-CANCMXDXSA-N 1 2 382.917 2.447 20 0 GEADLO CNC(=O)[C@H](CCSC)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000576426216 652116683 /nfs/dbraw/zinc/11/66/83/652116683.db2.gz BWQGOEAKNSXGQK-ZDUSSCGKSA-N 1 2 385.559 2.118 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc2nc(Cl)sc2c1)C[NH+]1CCOCC1 ZINC000746668492 652121589 /nfs/dbraw/zinc/12/15/89/652121589.db2.gz KERXNTFQPIRQQB-NSHDSACASA-N 1 2 389.930 2.196 20 0 GEADLO COc1csc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000747086379 652139357 /nfs/dbraw/zinc/13/93/57/652139357.db2.gz KIHCRUCGEJCWEP-UHFFFAOYSA-N 1 2 380.491 2.319 20 0 GEADLO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc1 ZINC000621353524 652151519 /nfs/dbraw/zinc/15/15/19/652151519.db2.gz XCNXCQCWPAZYQY-GOSISDBHSA-N 1 2 379.503 2.240 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(Br)c[nH]c1=O ZINC000621388059 652153142 /nfs/dbraw/zinc/15/31/42/652153142.db2.gz IGPLMCILXTUQNC-UHFFFAOYSA-N 1 2 377.242 2.475 20 0 GEADLO Cn1cnc(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1Cl ZINC000747283608 652155780 /nfs/dbraw/zinc/15/57/80/652155780.db2.gz KCTBSWMJEYNZHQ-GFCCVEGCSA-N 1 2 377.297 2.308 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)n1 ZINC000657447892 652164786 /nfs/dbraw/zinc/16/47/86/652164786.db2.gz SJIGOUONPBQDTB-LBPRGKRZSA-N 1 2 382.306 2.131 20 0 GEADLO Cc1ccc(C[C@H](CO)C[NH2+]Cc2nnn(C(C)(C)C)n2)cc1Br ZINC000657484815 652166753 /nfs/dbraw/zinc/16/67/53/652166753.db2.gz UZPONTHPDTVFKX-AWEZNQCLSA-N 1 2 396.333 2.440 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](CS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000577256247 652173515 /nfs/dbraw/zinc/17/35/15/652173515.db2.gz NZYQGDSPLNITEC-CZUORRHYSA-N 1 2 387.933 2.019 20 0 GEADLO CC1CCN(S(=O)(=O)c2ccc(C(=O)OCc3c[nH+]cn3C)s2)CC1 ZINC000747779157 652178668 /nfs/dbraw/zinc/17/86/68/652178668.db2.gz DGLZXYQFBJEFBO-UHFFFAOYSA-N 1 2 383.495 2.259 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1cscc1C(F)(F)F ZINC000622100160 652182340 /nfs/dbraw/zinc/18/23/40/652182340.db2.gz KCDDVTPJYJBIIM-UHFFFAOYSA-N 1 2 378.416 2.378 20 0 GEADLO CN(C(=O)CC1(CS(C)(=O)=O)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000622676142 652198142 /nfs/dbraw/zinc/19/81/42/652198142.db2.gz NRPRLUFEVRKKMZ-UHFFFAOYSA-N 1 2 384.464 2.077 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657757256 652201429 /nfs/dbraw/zinc/20/14/29/652201429.db2.gz DYQAAGSSPYAEBR-SNVBAGLBSA-N 1 2 395.232 2.276 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000748462779 652203715 /nfs/dbraw/zinc/20/37/15/652203715.db2.gz YCGBLCVMWQESHL-IAQYHMDHSA-N 1 2 389.279 2.435 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000748462779 652203724 /nfs/dbraw/zinc/20/37/24/652203724.db2.gz YCGBLCVMWQESHL-IAQYHMDHSA-N 1 2 389.279 2.435 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000748463361 652203983 /nfs/dbraw/zinc/20/39/83/652203983.db2.gz ZWMPFAFJKLCVFC-FZMZJTMJSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000748463361 652203991 /nfs/dbraw/zinc/20/39/91/652203991.db2.gz ZWMPFAFJKLCVFC-FZMZJTMJSA-N 1 2 385.258 2.040 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000577770608 652214720 /nfs/dbraw/zinc/21/47/20/652214720.db2.gz RFOCHSKQABHQOC-ZDUSSCGKSA-N 1 2 395.301 2.412 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000577770608 652214727 /nfs/dbraw/zinc/21/47/27/652214727.db2.gz RFOCHSKQABHQOC-ZDUSSCGKSA-N 1 2 395.301 2.412 20 0 GEADLO O=C([C@H]1CC(=O)Nc2ccc(Br)cc21)N1CC(n2cc[nH+]c2)C1 ZINC000577813983 652217681 /nfs/dbraw/zinc/21/76/81/652217681.db2.gz YTZKSHZBZDABRD-ZDUSSCGKSA-N 1 2 375.226 2.155 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CO[C@H](C)C3)[nH+]c12 ZINC000577844352 652221259 /nfs/dbraw/zinc/22/12/59/652221259.db2.gz NXCIYCMESHHRKR-RISCZKNCSA-N 1 2 381.274 2.424 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000623272094 652230268 /nfs/dbraw/zinc/23/02/68/652230268.db2.gz OXRQQZCJTLJUMY-AAEUAGOBSA-N 1 2 379.247 2.284 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1cc(F)c(Br)cc1F ZINC000623425234 652237324 /nfs/dbraw/zinc/23/73/24/652237324.db2.gz VWKAGVSHYVNDOM-JTQLQIEISA-N 1 2 392.244 2.247 20 0 GEADLO Cc1c(NC(=O)[C@H]([NH3+])c2cscn2)cccc1S(=O)(=O)NC(C)(C)C ZINC000578126909 652245894 /nfs/dbraw/zinc/24/58/94/652245894.db2.gz COMADFJPYJZMFR-CQSZACIVSA-N 1 2 382.511 2.167 20 0 GEADLO C[C@@H]1[C@H]([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CCS1(=O)=O ZINC000623720004 652256140 /nfs/dbraw/zinc/25/61/40/652256140.db2.gz RPAZFVQGABEMMN-BXKDBHETSA-N 1 2 375.281 2.239 20 0 GEADLO CC1(C)C[NH+](CC(=O)NCCOc2ccc(I)cc2)C1 ZINC000578247471 652256790 /nfs/dbraw/zinc/25/67/90/652256790.db2.gz WQLVQAHMTRSBTD-UHFFFAOYSA-N 1 2 388.249 2.128 20 0 GEADLO CC(C)(O)CC[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000749796671 652267392 /nfs/dbraw/zinc/26/73/92/652267392.db2.gz ZEDZPACXQUHKDF-UHFFFAOYSA-N 1 2 380.432 2.173 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000578379553 652267613 /nfs/dbraw/zinc/26/76/13/652267613.db2.gz CMLYAAIVLQCJHV-CYBMUJFWSA-N 1 2 388.917 2.222 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000578379553 652267621 /nfs/dbraw/zinc/26/76/21/652267621.db2.gz CMLYAAIVLQCJHV-CYBMUJFWSA-N 1 2 388.917 2.222 20 0 GEADLO Cc1oc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1S(C)(=O)=O ZINC000624065802 652268860 /nfs/dbraw/zinc/26/88/60/652268860.db2.gz RACPGGLQRZRBLE-UHFFFAOYSA-N 1 2 386.539 2.083 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](N3CCOCC3)C2)ccc1Br ZINC000578545352 652277411 /nfs/dbraw/zinc/27/74/11/652277411.db2.gz OOQOMGIQPNLVIM-INIZCTEOSA-N 1 2 396.329 2.493 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](N3CCOCC3)C2)ccc1Br ZINC000578545352 652277417 /nfs/dbraw/zinc/27/74/17/652277417.db2.gz OOQOMGIQPNLVIM-INIZCTEOSA-N 1 2 396.329 2.493 20 0 GEADLO Cc1cc(NC(=O)CN2CCC[C@H]([NH+]3CCOCC3)C2)ccc1Br ZINC000578545352 652277424 /nfs/dbraw/zinc/27/74/24/652277424.db2.gz OOQOMGIQPNLVIM-INIZCTEOSA-N 1 2 396.329 2.493 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)ccc1Br ZINC000578545353 652277539 /nfs/dbraw/zinc/27/75/39/652277539.db2.gz OOQOMGIQPNLVIM-MRXNPFEDSA-N 1 2 396.329 2.493 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](N3CCOCC3)C2)ccc1Br ZINC000578545353 652277547 /nfs/dbraw/zinc/27/75/47/652277547.db2.gz OOQOMGIQPNLVIM-MRXNPFEDSA-N 1 2 396.329 2.493 20 0 GEADLO Cc1cc(NC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)C2)ccc1Br ZINC000578545353 652277557 /nfs/dbraw/zinc/27/75/57/652277557.db2.gz OOQOMGIQPNLVIM-MRXNPFEDSA-N 1 2 396.329 2.493 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000750626335 652302766 /nfs/dbraw/zinc/30/27/66/652302766.db2.gz UHZQACAHSVUJIO-NDHGSNPTSA-N 1 2 379.404 2.156 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000750626335 652302773 /nfs/dbraw/zinc/30/27/73/652302773.db2.gz UHZQACAHSVUJIO-NDHGSNPTSA-N 1 2 379.404 2.156 20 0 GEADLO Cc1cc(Br)c(F)cc1S(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC000625245328 652333850 /nfs/dbraw/zinc/33/38/50/652333850.db2.gz KNKYPAAAPVFXJH-UHFFFAOYSA-N 1 2 376.251 2.151 20 0 GEADLO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000625258526 652335749 /nfs/dbraw/zinc/33/57/49/652335749.db2.gz DXSBBWRQTJKTOA-HNNXBMFYSA-N 1 2 379.810 2.431 20 0 GEADLO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000579567471 652344151 /nfs/dbraw/zinc/34/41/51/652344151.db2.gz RHZUASHANHUXQO-UHFFFAOYSA-N 1 2 382.873 2.342 20 0 GEADLO O=S(=O)(C1CCC(C(F)(F)F)CC1)N1CCC([NH+]2CCOCC2)CC1 ZINC000625607222 652361199 /nfs/dbraw/zinc/36/11/99/652361199.db2.gz QONSZQQKBKHXSQ-UHFFFAOYSA-N 1 2 384.464 2.234 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000580111889 652367318 /nfs/dbraw/zinc/36/73/18/652367318.db2.gz BDRPJCWRBSZMQK-HNNXBMFYSA-N 1 2 382.233 2.464 20 0 GEADLO C[N@H+](Cc1coc(S(N)(=O)=O)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000659854632 652367950 /nfs/dbraw/zinc/36/79/50/652367950.db2.gz XKVHHGHUSZNIIR-HIFRSBDPSA-N 1 2 391.276 2.324 20 0 GEADLO C[N@@H+](Cc1coc(S(N)(=O)=O)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000659854632 652367955 /nfs/dbraw/zinc/36/79/55/652367955.db2.gz XKVHHGHUSZNIIR-HIFRSBDPSA-N 1 2 391.276 2.324 20 0 GEADLO C[C@@H](CC(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1)n1cc[nH+]c1 ZINC000580197043 652370410 /nfs/dbraw/zinc/37/04/10/652370410.db2.gz OSSQYVGCAWOOCI-XHDPSFHLSA-N 1 2 379.258 2.282 20 0 GEADLO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCN1C(=O)CN(C)C1=O ZINC000625795850 652371661 /nfs/dbraw/zinc/37/16/61/652371661.db2.gz ZXMDVSWFSQTJCS-AWEZNQCLSA-N 1 2 396.285 2.489 20 0 GEADLO COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCN1C(=O)CN(C)C1=O ZINC000625795850 652371663 /nfs/dbraw/zinc/37/16/63/652371663.db2.gz ZXMDVSWFSQTJCS-AWEZNQCLSA-N 1 2 396.285 2.489 20 0 GEADLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000659927093 652372506 /nfs/dbraw/zinc/37/25/06/652372506.db2.gz OZEZGIKDFCHNEJ-UHFFFAOYSA-N 1 2 381.420 2.340 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000626169837 652383779 /nfs/dbraw/zinc/38/37/79/652383779.db2.gz SWNAAMJALBABRN-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000626169837 652383782 /nfs/dbraw/zinc/38/37/82/652383782.db2.gz SWNAAMJALBABRN-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO O=S(=O)(Cc1ccc(Br)c(F)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000580756030 652391307 /nfs/dbraw/zinc/39/13/07/652391307.db2.gz YGUMUEAQVNHXQG-LLVKDONJSA-N 1 2 388.262 2.219 20 0 GEADLO CNc1cnc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)cn1 ZINC000626445922 652392766 /nfs/dbraw/zinc/39/27/66/652392766.db2.gz UWYXSDBZKAWZLS-UHFFFAOYSA-N 1 2 389.257 2.209 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000581112847 652402190 /nfs/dbraw/zinc/40/21/90/652402190.db2.gz KKYYEDCALVEXRW-UHFFFAOYSA-N 1 2 379.551 2.184 20 0 GEADLO CCN1CC[C@@H]([NH+]2CCN(Cc3cc(Br)ccc3F)CC2)C1=O ZINC000660464397 652403286 /nfs/dbraw/zinc/40/32/86/652403286.db2.gz AEFXFKOVAKFSKN-MRXNPFEDSA-N 1 2 384.293 2.327 20 0 GEADLO NS(=O)(=O)c1cc(C[NH2+][C@H]2CCOc3c(Br)cccc32)co1 ZINC000660481547 652403967 /nfs/dbraw/zinc/40/39/67/652403967.db2.gz QLIFVTVGHOTRAA-LBPRGKRZSA-N 1 2 387.255 2.303 20 0 GEADLO O=C(NCc1ccc(F)cc1Br)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660692506 652410273 /nfs/dbraw/zinc/41/02/73/652410273.db2.gz YXOFXAPZOWFWLF-AWEZNQCLSA-N 1 2 386.265 2.204 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CCCn3cncn3)[nH+]c12 ZINC000754517975 652437816 /nfs/dbraw/zinc/43/78/16/652437816.db2.gz SLIJJRGKJMIAPS-UHFFFAOYSA-N 1 2 391.273 2.136 20 0 GEADLO CN1CCN(c2cc(NCCc3ccccc3Br)[nH+]cn2)CC1=O ZINC000582395141 652448539 /nfs/dbraw/zinc/44/85/39/652448539.db2.gz FHZVYWIURBJRAR-UHFFFAOYSA-N 1 2 390.285 2.172 20 0 GEADLO CN1CCN(c2cc(NCCc3ccccc3Br)nc[nH+]2)CC1=O ZINC000582395141 652448544 /nfs/dbraw/zinc/44/85/44/652448544.db2.gz FHZVYWIURBJRAR-UHFFFAOYSA-N 1 2 390.285 2.172 20 0 GEADLO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2Cl)C[C@@H]1CC ZINC000582926645 652467506 /nfs/dbraw/zinc/46/75/06/652467506.db2.gz FEKHMBIPHPVMMX-AWEZNQCLSA-N 1 2 390.933 2.470 20 0 GEADLO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2Cl)C[C@@H]1CC ZINC000582926645 652467507 /nfs/dbraw/zinc/46/75/07/652467507.db2.gz FEKHMBIPHPVMMX-AWEZNQCLSA-N 1 2 390.933 2.470 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2csc(CCc3ccccc3)n2)CC1 ZINC000755953658 652482219 /nfs/dbraw/zinc/48/22/19/652482219.db2.gz BUZYBWHVLYAJIA-RUZDIDTESA-N 1 2 377.579 2.424 20 0 GEADLO FC(F)(F)COc1ccc(NC[C@]2([NH+]3CCOCC3)CCSC2)nn1 ZINC000663415915 652497280 /nfs/dbraw/zinc/49/72/80/652497280.db2.gz JHOFJGDXEXCFDH-CQSZACIVSA-N 1 2 378.420 2.038 20 0 GEADLO CCS(=O)(=O)C1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000663449454 652500969 /nfs/dbraw/zinc/50/09/69/652500969.db2.gz CLPKAOPSEXBQRS-CQSZACIVSA-N 1 2 385.555 2.152 20 0 GEADLO CCS(=O)(=O)C1(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000663449452 652501075 /nfs/dbraw/zinc/50/10/75/652501075.db2.gz CLPKAOPSEXBQRS-AWEZNQCLSA-N 1 2 385.555 2.152 20 0 GEADLO O[C@H](C[N@@H+]1CCc2c(Br)ccc(F)c2C1)CC1(O)CCOCC1 ZINC000630042112 652501263 /nfs/dbraw/zinc/50/12/63/652501263.db2.gz GRHNBALDRVXJED-LBPRGKRZSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@H](C[N@H+]1CCc2c(Br)ccc(F)c2C1)CC1(O)CCOCC1 ZINC000630042112 652501266 /nfs/dbraw/zinc/50/12/66/652501266.db2.gz GRHNBALDRVXJED-LBPRGKRZSA-N 1 2 388.277 2.239 20 0 GEADLO OCC[N@H+](Cc1nnnn1-c1ccccc1Br)[C@H]1CCCSC1 ZINC000583972077 652504322 /nfs/dbraw/zinc/50/43/22/652504322.db2.gz AWAJZWQBNNKHTM-LBPRGKRZSA-N 1 2 398.330 2.115 20 0 GEADLO OCC[N@@H+](Cc1nnnn1-c1ccccc1Br)[C@H]1CCCSC1 ZINC000583972077 652504324 /nfs/dbraw/zinc/50/43/24/652504324.db2.gz AWAJZWQBNNKHTM-LBPRGKRZSA-N 1 2 398.330 2.115 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCNc2ncc(Cl)cc2Cl)[C@@H](C)CO1 ZINC000663673336 652508006 /nfs/dbraw/zinc/50/80/06/652508006.db2.gz ZWVJJXSWGGLOTN-NWDGAFQWSA-N 1 2 390.315 2.209 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCNc2ncc(Cl)cc2Cl)[C@@H](C)CO1 ZINC000663673336 652508007 /nfs/dbraw/zinc/50/80/07/652508007.db2.gz ZWVJJXSWGGLOTN-NWDGAFQWSA-N 1 2 390.315 2.209 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1)Nc1ccc(Br)cc1 ZINC000663872994 652514291 /nfs/dbraw/zinc/51/42/91/652514291.db2.gz XSVJSSQYTSDACJ-OAHLLOKOSA-N 1 2 381.270 2.458 20 0 GEADLO O=C(CC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1)Nc1ccc(Br)cc1 ZINC000663872994 652514296 /nfs/dbraw/zinc/51/42/96/652514296.db2.gz XSVJSSQYTSDACJ-OAHLLOKOSA-N 1 2 381.270 2.458 20 0 GEADLO CN(CC[NH+]1CCN(Cc2ccccc2)CC1)c1cc(Br)cnn1 ZINC000663904552 652515816 /nfs/dbraw/zinc/51/58/16/652515816.db2.gz NLXIJANOHYODQH-UHFFFAOYSA-N 1 2 390.329 2.493 20 0 GEADLO Cc1nc(NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)c(Br)c(C)[nH+]1 ZINC000663905640 652515931 /nfs/dbraw/zinc/51/59/31/652515931.db2.gz ISJABJAKUNJTAJ-VXGBXAGGSA-N 1 2 391.335 2.376 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000584412001 652520204 /nfs/dbraw/zinc/52/02/04/652520204.db2.gz KHHZBKKLFDWHQS-LBPRGKRZSA-N 1 2 391.269 2.271 20 0 GEADLO O=C(c1cccnc1I)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000758315108 652537044 /nfs/dbraw/zinc/53/70/44/652537044.db2.gz GXKHPHYMAASJAT-UHFFFAOYSA-N 1 2 382.205 2.429 20 0 GEADLO O=C(c1cccnc1I)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000758315108 652537047 /nfs/dbraw/zinc/53/70/47/652537047.db2.gz GXKHPHYMAASJAT-UHFFFAOYSA-N 1 2 382.205 2.429 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccnc1I ZINC000758390899 652539345 /nfs/dbraw/zinc/53/93/45/652539345.db2.gz WRMUZMWYRQXMPT-LLVKDONJSA-N 1 2 394.216 2.090 20 0 GEADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccnc1I ZINC000758390901 652539455 /nfs/dbraw/zinc/53/94/55/652539455.db2.gz WRMUZMWYRQXMPT-NSHDSACASA-N 1 2 394.216 2.090 20 0 GEADLO O=S(=O)(c1cscc1Br)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000631936200 652542154 /nfs/dbraw/zinc/54/21/54/652542154.db2.gz WTSJBJZALGAGQB-GFCCVEGCSA-N 1 2 388.312 2.241 20 0 GEADLO Cc1cc(Br)cnc1NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000758449738 652542254 /nfs/dbraw/zinc/54/22/54/652542254.db2.gz QRKNIMPFVMGKLQ-UHFFFAOYSA-N 1 2 376.320 2.073 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)c2cc(F)ccc2C[NH2+]1 ZINC000631943239 652543116 /nfs/dbraw/zinc/54/31/16/652543116.db2.gz QPKXESMKXQPZBS-MRVPVSSYSA-N 1 2 378.351 2.255 20 0 GEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1c(F)cccc1I ZINC000587056240 652544315 /nfs/dbraw/zinc/54/43/15/652544315.db2.gz FUFCSCLWCOJMLO-VIFPVBQESA-N 1 2 385.180 2.372 20 0 GEADLO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000665641789 652555726 /nfs/dbraw/zinc/55/57/26/652555726.db2.gz FMKFUZLYXCMFPY-CYBMUJFWSA-N 1 2 381.885 2.209 20 0 GEADLO CCN1C(=O)[C@H]2CN(c3[nH+]ccc4cc(Br)ccc43)CCN2C1=O ZINC000665705254 652557958 /nfs/dbraw/zinc/55/79/58/652557958.db2.gz BZYZVWVRDKLRTR-CQSZACIVSA-N 1 2 389.253 2.470 20 0 GEADLO COc1ccc(Br)c(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000665920977 652562329 /nfs/dbraw/zinc/56/23/29/652562329.db2.gz URHCPTCEKMPJFQ-LBPRGKRZSA-N 1 2 384.274 2.396 20 0 GEADLO COc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000665952800 652565426 /nfs/dbraw/zinc/56/54/26/652565426.db2.gz XSOFMRDFVGUYIG-GFCCVEGCSA-N 1 2 384.274 2.396 20 0 GEADLO COC(=O)c1c2c(sc1NC(=O)CSCC[NH+]1CCOCC1)CCC2 ZINC000590098469 652574533 /nfs/dbraw/zinc/57/45/33/652574533.db2.gz WUXLDXTUZDAQLK-UHFFFAOYSA-N 1 2 384.523 2.027 20 0 GEADLO CO[C@H]1CCCC[C@H]1S(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680501 652574561 /nfs/dbraw/zinc/57/45/61/652574561.db2.gz OCDIUDMHFKLAJA-JKSUJKDBSA-N 1 2 385.555 2.012 20 0 GEADLO COc1ccc(CCC(=O)N[C@@H](C)C[NH+]2CCOCC2)c(Br)c1 ZINC000666429078 652577096 /nfs/dbraw/zinc/57/70/96/652577096.db2.gz CJOAOLOGNOIIFE-ZDUSSCGKSA-N 1 2 385.302 2.227 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000592206328 652591633 /nfs/dbraw/zinc/59/16/33/652591633.db2.gz YXDVNUOSHZJQLQ-UWVGGRQHSA-N 1 2 386.235 2.399 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000592206328 652591639 /nfs/dbraw/zinc/59/16/39/652591639.db2.gz YXDVNUOSHZJQLQ-UWVGGRQHSA-N 1 2 386.235 2.399 20 0 GEADLO O=C(CCc1cn[nH]n1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000633441507 652597526 /nfs/dbraw/zinc/59/75/26/652597526.db2.gz IYKUMAPBTFRXPW-UHFFFAOYSA-N 1 2 392.301 2.281 20 0 GEADLO O=C(CCc1c[nH]nn1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000633441507 652597528 /nfs/dbraw/zinc/59/75/28/652597528.db2.gz IYKUMAPBTFRXPW-UHFFFAOYSA-N 1 2 392.301 2.281 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000667305990 652600592 /nfs/dbraw/zinc/60/05/92/652600592.db2.gz FWESGHHFXQSVHJ-VXGBXAGGSA-N 1 2 392.253 2.374 20 0 GEADLO CCNC(=O)CN1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667498084 652608186 /nfs/dbraw/zinc/60/81/86/652608186.db2.gz XZENELCEDJPAEL-UHFFFAOYSA-N 1 2 380.286 2.449 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)CS(=O)(=O)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000633767325 652612629 /nfs/dbraw/zinc/61/26/29/652612629.db2.gz VYSGTFAFNBLMLU-AWEZNQCLSA-N 1 2 378.416 2.002 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C[C@H]1C1CC1 ZINC000593131643 652615176 /nfs/dbraw/zinc/61/51/76/652615176.db2.gz WECDQJYPKRMLRE-RRFJBIMHSA-N 1 2 381.270 2.107 20 0 GEADLO COC(=O)[C@@H]1C[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C[C@H]1C1CC1 ZINC000593131643 652615177 /nfs/dbraw/zinc/61/51/77/652615177.db2.gz WECDQJYPKRMLRE-RRFJBIMHSA-N 1 2 381.270 2.107 20 0 GEADLO C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000667990732 652624020 /nfs/dbraw/zinc/62/40/20/652624020.db2.gz VFTYVBZVDOXMGG-ZDUSSCGKSA-N 1 2 394.107 2.073 20 0 GEADLO C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000667990732 652624023 /nfs/dbraw/zinc/62/40/23/652624023.db2.gz VFTYVBZVDOXMGG-ZDUSSCGKSA-N 1 2 394.107 2.073 20 0 GEADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1c(Br)cnn1C ZINC000633979279 652624416 /nfs/dbraw/zinc/62/44/16/652624416.db2.gz VRTPQAYASDNSIU-UHFFFAOYSA-N 1 2 398.211 2.435 20 0 GEADLO C[N@H+](CCOCCO)Cc1cc(Br)c(O)c(Br)c1 ZINC000668109248 652629169 /nfs/dbraw/zinc/62/91/69/652629169.db2.gz ZAPPJFNXCJETIJ-UHFFFAOYSA-N 1 2 383.080 2.358 20 0 GEADLO C[N@@H+](CCOCCO)Cc1cc(Br)c(O)c(Br)c1 ZINC000668109248 652629170 /nfs/dbraw/zinc/62/91/70/652629170.db2.gz ZAPPJFNXCJETIJ-UHFFFAOYSA-N 1 2 383.080 2.358 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000668359956 652640115 /nfs/dbraw/zinc/64/01/15/652640115.db2.gz LTSACOWIPQTMHL-SSDOTTSWSA-N 1 2 399.182 2.144 20 0 GEADLO CN1C(=O)N(C[C@H]2CN(C)CC[N@@H+]2C)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000761277673 652640756 /nfs/dbraw/zinc/64/07/56/652640756.db2.gz IKFVCEDGRMIMLA-IUODEOHRSA-N 1 2 385.295 2.174 20 0 GEADLO CN1C(=O)N(C[C@H]2CN(C)CC[N@H+]2C)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000761277673 652640760 /nfs/dbraw/zinc/64/07/60/652640760.db2.gz IKFVCEDGRMIMLA-IUODEOHRSA-N 1 2 385.295 2.174 20 0 GEADLO O=C(Cc1sccc1Br)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634508980 652641371 /nfs/dbraw/zinc/64/13/71/652641371.db2.gz TUPOTSYIPNIKCC-UHFFFAOYSA-N 1 2 395.326 2.230 20 0 GEADLO Cc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000634978019 652680145 /nfs/dbraw/zinc/68/01/45/652680145.db2.gz QRIWZCLXWWMXKW-OAHLLOKOSA-N 1 2 382.302 2.374 20 0 GEADLO Cc1nc(C[NH2+]CC(=O)Nc2ccc(I)cc2)[nH]c1C ZINC000594941553 652697776 /nfs/dbraw/zinc/69/77/76/652697776.db2.gz VMIUUYVKNWRDHR-UHFFFAOYSA-N 1 2 384.221 2.359 20 0 GEADLO Cc1[nH]c(CNCC(=O)Nc2ccc(I)cc2)[nH+]c1C ZINC000594941553 652697781 /nfs/dbraw/zinc/69/77/81/652697781.db2.gz VMIUUYVKNWRDHR-UHFFFAOYSA-N 1 2 384.221 2.359 20 0 GEADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000635275912 652709357 /nfs/dbraw/zinc/70/93/57/652709357.db2.gz BACRNIXEEOLUJO-CHWSQXEVSA-N 1 2 376.258 2.020 20 0 GEADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000635275912 652709364 /nfs/dbraw/zinc/70/93/64/652709364.db2.gz BACRNIXEEOLUJO-CHWSQXEVSA-N 1 2 376.258 2.020 20 0 GEADLO O=C(Cc1ccc(Br)s1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000603832319 652730872 /nfs/dbraw/zinc/73/08/72/652730872.db2.gz MTHKZEWQGWYYMS-UHFFFAOYSA-N 1 2 399.314 2.221 20 0 GEADLO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595828866 652737478 /nfs/dbraw/zinc/73/74/78/652737478.db2.gz MCUUFEGKYZIIEL-ZIAGYGMSSA-N 1 2 391.295 2.320 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@](F)(CO)C3)[nH+]c12 ZINC000670151612 652741123 /nfs/dbraw/zinc/74/11/23/652741123.db2.gz VUQWEIBFWNQGBX-INIZCTEOSA-N 1 2 399.264 2.064 20 0 GEADLO CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000635602257 652742975 /nfs/dbraw/zinc/74/29/75/652742975.db2.gz GIWUGCTYDVHYPS-UPJWGTAASA-N 1 2 381.420 2.191 20 0 GEADLO O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCCCn1cc[nH+]c1 ZINC000763286282 652749704 /nfs/dbraw/zinc/74/97/04/652749704.db2.gz BUNANAYXMQZGSU-UHFFFAOYSA-N 1 2 382.203 2.419 20 0 GEADLO CN(C)c1cc(COC(=O)CNC(=O)c2cccc(Br)c2)cc[nH+]1 ZINC000763288410 652749909 /nfs/dbraw/zinc/74/99/09/652749909.db2.gz UZIIKOFBJBLGBT-UHFFFAOYSA-N 1 2 392.253 2.383 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000635779063 652754438 /nfs/dbraw/zinc/75/44/38/652754438.db2.gz OVJIJQHXEFFEMT-SNVBAGLBSA-N 1 2 393.163 2.477 20 0 GEADLO Cc1sc(Br)nc1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000764057758 652783682 /nfs/dbraw/zinc/78/36/82/652783682.db2.gz XVDIWWNZVHPMHX-LLVKDONJSA-N 1 2 376.320 2.301 20 0 GEADLO O=C(N[C@]1(CO)CCc2cc(Br)ccc2C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636255387 652790860 /nfs/dbraw/zinc/79/08/60/652790860.db2.gz HPXJXOWETUCCLA-IIDMSEBBSA-N 1 2 390.281 2.312 20 0 GEADLO O=C(N[C@]1(CO)CCc2cc(Br)ccc2C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636255387 652790863 /nfs/dbraw/zinc/79/08/63/652790863.db2.gz HPXJXOWETUCCLA-IIDMSEBBSA-N 1 2 390.281 2.312 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(I)cc2)[C@H](C)CO1 ZINC000597994640 652795918 /nfs/dbraw/zinc/79/59/18/652795918.db2.gz CMHVMLMDHNDZCN-VXGBXAGGSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(I)cc2)[C@H](C)CO1 ZINC000597994640 652795927 /nfs/dbraw/zinc/79/59/27/652795927.db2.gz CMHVMLMDHNDZCN-VXGBXAGGSA-N 1 2 388.249 2.130 20 0 GEADLO O=C(NCCc1ccc(I)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000598391971 652813101 /nfs/dbraw/zinc/81/31/01/652813101.db2.gz ARWIJQYADDUKKE-ZDUSSCGKSA-N 1 2 395.244 2.409 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000764919452 652815230 /nfs/dbraw/zinc/81/52/30/652815230.db2.gz GCJGKDPDCQGPBU-TZMCWYRMSA-N 1 2 399.333 2.344 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000764919452 652815231 /nfs/dbraw/zinc/81/52/31/652815231.db2.gz GCJGKDPDCQGPBU-TZMCWYRMSA-N 1 2 399.333 2.344 20 0 GEADLO Cc1c(Br)cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(=O)n1C ZINC000764965017 652816839 /nfs/dbraw/zinc/81/68/39/652816839.db2.gz OVALGKKDFVDPPR-AWEZNQCLSA-N 1 2 395.301 2.497 20 0 GEADLO COc1cc(Br)c(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1OC ZINC000636709239 652818089 /nfs/dbraw/zinc/81/80/89/652818089.db2.gz QEUDIXGAPQWYPW-NSHDSACASA-N 1 2 395.257 2.087 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1Cc2ccc(Br)cc2C1 ZINC000765283401 652835290 /nfs/dbraw/zinc/83/52/90/652835290.db2.gz MECRTLTUTRCBAN-ZDUSSCGKSA-N 1 2 381.318 2.110 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)cc1O ZINC000673296777 652859660 /nfs/dbraw/zinc/85/96/60/652859660.db2.gz KZXQPHNFOLRJOE-IUODEOHRSA-N 1 2 383.286 2.019 20 0 GEADLO CCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000637914556 652877791 /nfs/dbraw/zinc/87/77/91/652877791.db2.gz NLOPMOKJXPCLGY-UHFFFAOYSA-N 1 2 387.933 2.116 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000599562449 652878089 /nfs/dbraw/zinc/87/80/89/652878089.db2.gz IBYAEOIVUVXVMV-CMJOXMDJSA-N 1 2 380.293 2.365 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000599562449 652878093 /nfs/dbraw/zinc/87/80/93/652878093.db2.gz IBYAEOIVUVXVMV-CMJOXMDJSA-N 1 2 380.293 2.365 20 0 GEADLO Brc1cnc2c(CN3CCCC[C@@H]3C[NH+]3CCOCC3)cnn2c1 ZINC000638024375 652882136 /nfs/dbraw/zinc/88/21/36/652882136.db2.gz QEZVEZRRIQXQSF-MRXNPFEDSA-N 1 2 394.317 2.179 20 0 GEADLO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638437677 652889063 /nfs/dbraw/zinc/88/90/63/652889063.db2.gz WRUGYMWEYMQQJM-UHFFFAOYSA-N 1 2 390.303 2.398 20 0 GEADLO C[N@@H+](Cc1nnc2ccccn21)C[C@H](O)COc1ccc(Br)cc1 ZINC000674305728 652893392 /nfs/dbraw/zinc/89/33/92/652893392.db2.gz XLABEXLVLYMHIQ-AWEZNQCLSA-N 1 2 391.269 2.364 20 0 GEADLO C[N@H+](Cc1nnc2ccccn21)C[C@H](O)COc1ccc(Br)cc1 ZINC000674305728 652893397 /nfs/dbraw/zinc/89/33/97/652893397.db2.gz XLABEXLVLYMHIQ-AWEZNQCLSA-N 1 2 391.269 2.364 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674428026 652897885 /nfs/dbraw/zinc/89/78/85/652897885.db2.gz VWYJCVLMDGABEB-GARJFASQSA-N 1 2 377.329 2.089 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000766900046 652902939 /nfs/dbraw/zinc/90/29/39/652902939.db2.gz UDVGTVDRFUGVAN-RUZDIDTESA-N 1 2 375.416 2.343 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cccc(I)c2)C1 ZINC000600193350 652907462 /nfs/dbraw/zinc/90/74/62/652907462.db2.gz UWFGFUFCUBALDS-AWEZNQCLSA-N 1 2 375.206 2.055 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cccc(I)c2)C1 ZINC000600193350 652907475 /nfs/dbraw/zinc/90/74/75/652907475.db2.gz UWFGFUFCUBALDS-AWEZNQCLSA-N 1 2 375.206 2.055 20 0 GEADLO C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccc(S(C)(=O)=O)cc1 ZINC000674666128 652907862 /nfs/dbraw/zinc/90/78/62/652907862.db2.gz LKUDBQSKPRGSHN-NSHDSACASA-N 1 2 379.507 2.277 20 0 GEADLO C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccc(S(C)(=O)=O)cc1 ZINC000674666128 652907868 /nfs/dbraw/zinc/90/78/68/652907868.db2.gz LKUDBQSKPRGSHN-NSHDSACASA-N 1 2 379.507 2.277 20 0 GEADLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccc(S(C)(=O)=O)cc1 ZINC000674666127 652908025 /nfs/dbraw/zinc/90/80/25/652908025.db2.gz LKUDBQSKPRGSHN-LLVKDONJSA-N 1 2 379.507 2.277 20 0 GEADLO C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccc(S(C)(=O)=O)cc1 ZINC000674666127 652908027 /nfs/dbraw/zinc/90/80/27/652908027.db2.gz LKUDBQSKPRGSHN-LLVKDONJSA-N 1 2 379.507 2.277 20 0 GEADLO CO[C@@]1(C)CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639118100 652920089 /nfs/dbraw/zinc/92/00/89/652920089.db2.gz MSATUVOMCOHKQR-AWEZNQCLSA-N 1 2 377.304 2.097 20 0 GEADLO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639118100 652920095 /nfs/dbraw/zinc/92/00/95/652920095.db2.gz MSATUVOMCOHKQR-AWEZNQCLSA-N 1 2 377.304 2.097 20 0 GEADLO Cc1cccc(CC2(O)CC[NH+](Cc3ccc(S(N)(=O)=O)s3)CC2)c1 ZINC000639124948 652920883 /nfs/dbraw/zinc/92/08/83/652920883.db2.gz NYGCUENDILVFLR-UHFFFAOYSA-N 1 2 380.535 2.274 20 0 GEADLO O=C(CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000767384245 652922351 /nfs/dbraw/zinc/92/23/51/652922351.db2.gz VALWRSLHCFNJPE-UHFFFAOYSA-N 1 2 376.931 2.467 20 0 GEADLO O=C(CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CC1 ZINC000767384245 652922357 /nfs/dbraw/zinc/92/23/57/652922357.db2.gz VALWRSLHCFNJPE-UHFFFAOYSA-N 1 2 376.931 2.467 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000639199685 652927050 /nfs/dbraw/zinc/92/70/50/652927050.db2.gz ZGVZEDUYABDWOC-LBPRGKRZSA-N 1 2 375.281 2.284 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000639199685 652927052 /nfs/dbraw/zinc/92/70/52/652927052.db2.gz ZGVZEDUYABDWOC-LBPRGKRZSA-N 1 2 375.281 2.284 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(S(C)(=O)=O)CC1)c1ccsc1 ZINC000675479467 652928880 /nfs/dbraw/zinc/92/88/80/652928880.db2.gz HOJBOAGBNYIKIL-INIZCTEOSA-N 1 2 387.571 2.350 20 0 GEADLO COc1cc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)cnc1Cl ZINC000767706336 652944897 /nfs/dbraw/zinc/94/48/97/652944897.db2.gz RYYUFCHATFCHFO-UHFFFAOYSA-N 1 2 381.885 2.080 20 0 GEADLO COc1cc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)cnc1Cl ZINC000767706336 652944902 /nfs/dbraw/zinc/94/49/02/652944902.db2.gz RYYUFCHATFCHFO-UHFFFAOYSA-N 1 2 381.885 2.080 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000639642364 652945790 /nfs/dbraw/zinc/94/57/90/652945790.db2.gz PYQVWAVPVMZBRU-HZSPNIEDSA-N 1 2 384.464 2.280 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000639642364 652945793 /nfs/dbraw/zinc/94/57/93/652945793.db2.gz PYQVWAVPVMZBRU-HZSPNIEDSA-N 1 2 384.464 2.280 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639728205 652950212 /nfs/dbraw/zinc/95/02/12/652950212.db2.gz CTTVLGUUBHEBPE-JTQLQIEISA-N 1 2 382.873 2.051 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639728205 652950216 /nfs/dbraw/zinc/95/02/16/652950216.db2.gz CTTVLGUUBHEBPE-JTQLQIEISA-N 1 2 382.873 2.051 20 0 GEADLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639771099 652953172 /nfs/dbraw/zinc/95/31/72/652953172.db2.gz ASLZIVJYAAZTDY-NSHDSACASA-N 1 2 396.207 2.318 20 0 GEADLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639771099 652953174 /nfs/dbraw/zinc/95/31/74/652953174.db2.gz ASLZIVJYAAZTDY-NSHDSACASA-N 1 2 396.207 2.318 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639773058 652954166 /nfs/dbraw/zinc/95/41/66/652954166.db2.gz MQWCYOAPDCQTRQ-ZDUSSCGKSA-N 1 2 394.273 2.276 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639773058 652954173 /nfs/dbraw/zinc/95/41/73/652954173.db2.gz MQWCYOAPDCQTRQ-ZDUSSCGKSA-N 1 2 394.273 2.276 20 0 GEADLO Cn1ccnc1[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)C(C)(C)CO ZINC000639775534 652954807 /nfs/dbraw/zinc/95/48/07/652954807.db2.gz WPAHRPVJMWWPII-OAHLLOKOSA-N 1 2 395.301 2.471 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3nnc(N)o3)C2)ccc1Br ZINC000639821769 652957624 /nfs/dbraw/zinc/95/76/24/652957624.db2.gz OCJOHVUMCFGOET-NSHDSACASA-N 1 2 394.273 2.541 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3nnc(N)o3)C2)ccc1Br ZINC000639821769 652957626 /nfs/dbraw/zinc/95/76/26/652957626.db2.gz OCJOHVUMCFGOET-NSHDSACASA-N 1 2 394.273 2.541 20 0 GEADLO COc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)ncc1Br ZINC000639961049 653089807 /nfs/dbraw/zinc/08/98/07/653089807.db2.gz AVHHBCYRFIYYMI-NWDGAFQWSA-N 1 2 399.289 2.180 20 0 GEADLO COc1cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)ncc1Br ZINC000639961050 653089818 /nfs/dbraw/zinc/08/98/18/653089818.db2.gz AVHHBCYRFIYYMI-RYUDHWBXSA-N 1 2 399.289 2.180 20 0 GEADLO COc1cc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)ncc1Br ZINC000639966525 653091125 /nfs/dbraw/zinc/09/11/25/653091125.db2.gz IKTWFUDPANSDBL-WDEREUQCSA-N 1 2 387.278 2.083 20 0 GEADLO C[C@@H]1C[C@H]([NH2+]Cc2cc(O)ccc2Br)C(=O)N1c1cnn(C)c1 ZINC000676239861 653092429 /nfs/dbraw/zinc/09/24/29/653092429.db2.gz QNIRRCNPSAVCSQ-BMIGLBTASA-N 1 2 379.258 2.172 20 0 GEADLO COc1cc(C[NH+]2CCN(Cn3ccc(Br)n3)CC2)cc(OC)c1 ZINC000767971861 653096516 /nfs/dbraw/zinc/09/65/16/653096516.db2.gz ULZBJYVFCZCZRW-UHFFFAOYSA-N 1 2 395.301 2.438 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C(=O)OC)c2ccc(Cl)cc2Cl)C1 ZINC000805469401 653117988 /nfs/dbraw/zinc/11/79/88/653117988.db2.gz MCAQXSHLSHJMER-KBPBESRZSA-N 1 2 376.236 2.471 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C(=O)OC)c2ccc(Cl)cc2Cl)C1 ZINC000805469401 653117996 /nfs/dbraw/zinc/11/79/96/653117996.db2.gz MCAQXSHLSHJMER-KBPBESRZSA-N 1 2 376.236 2.471 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000805473688 653118548 /nfs/dbraw/zinc/11/85/48/653118548.db2.gz XJWZDHXKKBFUNF-HUUCEWRRSA-N 1 2 387.263 2.363 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000805473688 653118550 /nfs/dbraw/zinc/11/85/50/653118550.db2.gz XJWZDHXKKBFUNF-HUUCEWRRSA-N 1 2 387.263 2.363 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000805474369 653118642 /nfs/dbraw/zinc/11/86/42/653118642.db2.gz AUMKFOTXISZCFI-OAHLLOKOSA-N 1 2 385.251 2.338 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000805474369 653118646 /nfs/dbraw/zinc/11/86/46/653118646.db2.gz AUMKFOTXISZCFI-OAHLLOKOSA-N 1 2 385.251 2.338 20 0 GEADLO O=C(OCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000771899563 653131515 /nfs/dbraw/zinc/13/15/15/653131515.db2.gz XBZLXPPDSUKONO-LBPRGKRZSA-N 1 2 378.226 2.242 20 0 GEADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000771927344 653132498 /nfs/dbraw/zinc/13/24/98/653132498.db2.gz MDMFSKQYJVBHOJ-CQSZACIVSA-N 1 2 378.226 2.242 20 0 GEADLO O=C(CCNC(=O)c1cc(F)ccc1Br)OCCn1cc[nH+]c1 ZINC000771929672 653132565 /nfs/dbraw/zinc/13/25/65/653132565.db2.gz WSLIVAJJSRMDGR-UHFFFAOYSA-N 1 2 384.205 2.148 20 0 GEADLO COCC[N@H+](C)Cc1cn([C@@H](C)C(=O)Nc2ccc(Br)cc2)nn1 ZINC000640800970 653139903 /nfs/dbraw/zinc/13/99/03/653139903.db2.gz JVZPSSQXELKYKI-LBPRGKRZSA-N 1 2 396.289 2.319 20 0 GEADLO COCC[N@@H+](C)Cc1cn([C@@H](C)C(=O)Nc2ccc(Br)cc2)nn1 ZINC000640800970 653139909 /nfs/dbraw/zinc/13/99/09/653139909.db2.gz JVZPSSQXELKYKI-LBPRGKRZSA-N 1 2 396.289 2.319 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000772311707 653145058 /nfs/dbraw/zinc/14/50/58/653145058.db2.gz GMTOOUTVHBPGTR-UHFFFAOYSA-N 1 2 378.217 2.351 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000772311707 653145063 /nfs/dbraw/zinc/14/50/63/653145063.db2.gz GMTOOUTVHBPGTR-UHFFFAOYSA-N 1 2 378.217 2.351 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000769411053 653154166 /nfs/dbraw/zinc/15/41/66/653154166.db2.gz IJGLMUPNLDSOGE-UHFFFAOYSA-N 1 2 383.905 2.327 20 0 GEADLO CCOc1cc(CN2CC[NH+](CC[S@@](C)=O)CC2)ccc1OC(F)F ZINC000769480608 653158866 /nfs/dbraw/zinc/15/88/66/653158866.db2.gz NJERAXOFPNEACO-RUZDIDTESA-N 1 2 376.469 2.183 20 0 GEADLO C[C@H](CCC(F)(F)F)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000680335548 653164898 /nfs/dbraw/zinc/16/48/98/653164898.db2.gz VBFFJGYTMRLXGC-GFCCVEGCSA-N 1 2 380.436 2.306 20 0 GEADLO COc1cc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)ncc1Br ZINC000680368719 653165817 /nfs/dbraw/zinc/16/58/17/653165817.db2.gz USPXYPVYYVQCRI-UHFFFAOYSA-N 1 2 387.278 2.085 20 0 GEADLO Cc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)nc1Br ZINC000806533352 653167478 /nfs/dbraw/zinc/16/74/78/653167478.db2.gz ROILXXSBCXONOM-QWHCGFSZSA-N 1 2 383.290 2.479 20 0 GEADLO Cc1cc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)ccc1I ZINC000602309639 653169435 /nfs/dbraw/zinc/16/94/35/653169435.db2.gz BWAGGGVANPVPIP-LBPRGKRZSA-N 1 2 396.232 2.220 20 0 GEADLO COCC[N@H+](C)Cc1cn(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000641206287 653169498 /nfs/dbraw/zinc/16/94/98/653169498.db2.gz RMNJEYXXDDSQHG-CYBMUJFWSA-N 1 2 389.283 2.103 20 0 GEADLO COCC[N@@H+](C)Cc1cn(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000641206287 653169499 /nfs/dbraw/zinc/16/94/99/653169499.db2.gz RMNJEYXXDDSQHG-CYBMUJFWSA-N 1 2 389.283 2.103 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000680847132 653171091 /nfs/dbraw/zinc/17/10/91/653171091.db2.gz LSYZRHXJVJZQND-LBPRGKRZSA-N 1 2 383.246 2.165 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000680864120 653172179 /nfs/dbraw/zinc/17/21/79/653172179.db2.gz AOVZITYEFWOIAO-AAEUAGOBSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000680864120 653172182 /nfs/dbraw/zinc/17/21/82/653172182.db2.gz AOVZITYEFWOIAO-AAEUAGOBSA-N 1 2 382.309 2.242 20 0 GEADLO COc1cc(CS(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)sn1 ZINC000641282488 653178151 /nfs/dbraw/zinc/17/81/51/653178151.db2.gz CSHPBPBFNDDAGW-UHFFFAOYSA-N 1 2 382.511 2.157 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]c2cccc(Br)c21 ZINC000807279664 653188459 /nfs/dbraw/zinc/18/84/59/653188459.db2.gz FFYVFFZCOWFKIG-CYBMUJFWSA-N 1 2 391.225 2.099 20 0 GEADLO COC(=O)c1cc(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)on1 ZINC000602525630 653188521 /nfs/dbraw/zinc/18/85/21/653188521.db2.gz BISHRCAYSOBXAL-UHFFFAOYSA-N 1 2 382.214 2.260 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000641344498 653189886 /nfs/dbraw/zinc/18/98/86/653189886.db2.gz WSMCABUHRGFCDJ-UHFFFAOYSA-N 1 2 392.308 2.404 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCC1(c2ccccc2Br)CC1 ZINC000641351939 653190739 /nfs/dbraw/zinc/19/07/39/653190739.db2.gz SWUTWCQILVKUQB-UHFFFAOYSA-N 1 2 384.299 2.297 20 0 GEADLO COC(=O)[C@H]1CC[N@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)[C@H]1C ZINC000773323949 653193361 /nfs/dbraw/zinc/19/33/61/653193361.db2.gz DKHFDGSKBSYNHV-IUCAKERBSA-N 1 2 387.205 2.337 20 0 GEADLO COC(=O)[C@H]1CC[N@@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)[C@H]1C ZINC000773323949 653193364 /nfs/dbraw/zinc/19/33/64/653193364.db2.gz DKHFDGSKBSYNHV-IUCAKERBSA-N 1 2 387.205 2.337 20 0 GEADLO Cc1nc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)sc1C ZINC000773514626 653203438 /nfs/dbraw/zinc/20/34/38/653203438.db2.gz IMOSAPXAUNLWIG-UHFFFAOYSA-N 1 2 379.507 2.323 20 0 GEADLO CCOC(=O)c1ncc(C[N@@H+]2CCCN(c3nc(CC)ns3)CC2)s1 ZINC000602781977 653206270 /nfs/dbraw/zinc/20/62/70/653206270.db2.gz KUKQPCQHLXRDPE-UHFFFAOYSA-N 1 2 381.527 2.446 20 0 GEADLO CCOC(=O)c1ncc(C[N@H+]2CCCN(c3nc(CC)ns3)CC2)s1 ZINC000602781977 653206272 /nfs/dbraw/zinc/20/62/72/653206272.db2.gz KUKQPCQHLXRDPE-UHFFFAOYSA-N 1 2 381.527 2.446 20 0 GEADLO COc1cc(Br)ccc1[C@@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641449229 653207389 /nfs/dbraw/zinc/20/73/89/653207389.db2.gz MSGWMYXPHVURSD-LLVKDONJSA-N 1 2 388.287 2.335 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000641501829 653215029 /nfs/dbraw/zinc/21/50/29/653215029.db2.gz FFKGGHITMJWFOJ-CQSZACIVSA-N 1 2 385.287 2.111 20 0 GEADLO COC(=O)c1cc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)ccc1Br ZINC000602927425 653215941 /nfs/dbraw/zinc/21/59/41/653215941.db2.gz GGRQAAVDMULYRT-SNVBAGLBSA-N 1 2 379.214 2.179 20 0 GEADLO COC(=O)c1cccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1Br ZINC000602990988 653219540 /nfs/dbraw/zinc/21/95/40/653219540.db2.gz PGYGJHMTQNJQBB-VIFPVBQESA-N 1 2 379.214 2.179 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cn2nc(Cl)c3ccccc32)C1)C1CC1 ZINC000808225902 653223311 /nfs/dbraw/zinc/22/33/11/653223311.db2.gz BAKJYMASAHDHBH-CYBMUJFWSA-N 1 2 382.917 2.441 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cn2nc(Cl)c3ccccc32)C1)C1CC1 ZINC000808225902 653223315 /nfs/dbraw/zinc/22/33/15/653223315.db2.gz BAKJYMASAHDHBH-CYBMUJFWSA-N 1 2 382.917 2.441 20 0 GEADLO O=C1CSc2ncnc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)c2N1 ZINC000682842039 653224920 /nfs/dbraw/zinc/22/49/20/653224920.db2.gz BQDFHXYRJFXHLL-UHFFFAOYSA-N 1 2 375.885 2.496 20 0 GEADLO CS(=O)(=O)N1CCN(c2ccc(NCc3ccsc3Cl)c[nH+]2)CC1 ZINC000682854589 653225329 /nfs/dbraw/zinc/22/53/29/653225329.db2.gz WXLMRSPCMJUNBT-UHFFFAOYSA-N 1 2 386.930 2.490 20 0 GEADLO CC(C)S(=O)(=O)CCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000808499336 653230438 /nfs/dbraw/zinc/23/04/38/653230438.db2.gz SVXRBYPXSBQXGC-CYBMUJFWSA-N 1 2 388.559 2.320 20 0 GEADLO CC(C)S(=O)(=O)CCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000808499336 653230439 /nfs/dbraw/zinc/23/04/39/653230439.db2.gz SVXRBYPXSBQXGC-CYBMUJFWSA-N 1 2 388.559 2.320 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(Br)n1 ZINC000774300804 653233469 /nfs/dbraw/zinc/23/34/69/653233469.db2.gz DLFAPSMLTCTVMU-LBPRGKRZSA-N 1 2 392.257 2.151 20 0 GEADLO C[NH+]1CCN(c2ccc(NC3CCN(C=O)CC3)cc2Br)CC1 ZINC000774377165 653236033 /nfs/dbraw/zinc/23/60/33/653236033.db2.gz SXBUUVPNQYRSKD-UHFFFAOYSA-N 1 2 381.318 2.234 20 0 GEADLO C[C@@H]1CCOCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000774649278 653246755 /nfs/dbraw/zinc/24/67/55/653246755.db2.gz MOXAGIBCKHEILV-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1CCOCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000774649278 653246760 /nfs/dbraw/zinc/24/67/60/653246760.db2.gz MOXAGIBCKHEILV-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2Br)C[C@H]1C ZINC000684586246 653279734 /nfs/dbraw/zinc/27/97/34/653279734.db2.gz PPSXYVVRLCTDAL-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2Br)C[C@H]1C ZINC000684586246 653279741 /nfs/dbraw/zinc/27/97/41/653279741.db2.gz PPSXYVVRLCTDAL-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000809580532 653283560 /nfs/dbraw/zinc/28/35/60/653283560.db2.gz CEBIZNVDOCZBRN-RUZDIDTESA-N 1 2 375.579 2.018 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCSC(F)(F)F)c1ccccc1Cl ZINC000775079944 653286479 /nfs/dbraw/zinc/28/64/79/653286479.db2.gz JCCJYZCABNAYHL-LBPRGKRZSA-N 1 2 397.850 2.428 20 0 GEADLO Cn1nc(Br)cc1C[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000809690141 653290380 /nfs/dbraw/zinc/29/03/80/653290380.db2.gz INZRSFFRDAXNLM-JTQLQIEISA-N 1 2 397.239 2.463 20 0 GEADLO Cn1nc(Br)cc1C[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000809690141 653290396 /nfs/dbraw/zinc/29/03/96/653290396.db2.gz INZRSFFRDAXNLM-JTQLQIEISA-N 1 2 397.239 2.463 20 0 GEADLO COCC[N@H+](Cc1sc2nc(C)nc(C)c2c1C)[C@H]1CCS(=O)(=O)C1 ZINC000809763501 653295034 /nfs/dbraw/zinc/29/50/34/653295034.db2.gz OAAHHFHFIHDCPZ-AWEZNQCLSA-N 1 2 383.539 2.252 20 0 GEADLO COCC[N@@H+](Cc1sc2nc(C)nc(C)c2c1C)[C@H]1CCS(=O)(=O)C1 ZINC000809763501 653295037 /nfs/dbraw/zinc/29/50/37/653295037.db2.gz OAAHHFHFIHDCPZ-AWEZNQCLSA-N 1 2 383.539 2.252 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)CC1(Br)Br ZINC000874709401 653333640 /nfs/dbraw/zinc/33/36/40/653333640.db2.gz CGVBSLXSNAICLD-PWSUYJOCSA-N 1 2 398.139 2.110 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)CC1(Br)Br ZINC000874709401 653333647 /nfs/dbraw/zinc/33/36/47/653333647.db2.gz CGVBSLXSNAICLD-PWSUYJOCSA-N 1 2 398.139 2.110 20 0 GEADLO C[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)CC(C)(C)S(C)(=O)=O ZINC000775646569 653320144 /nfs/dbraw/zinc/32/01/44/653320144.db2.gz PMBRMVZDXOLEBV-ZDUSSCGKSA-N 1 2 382.295 2.377 20 0 GEADLO C[N@@H+](C[C@H](O)c1ccc(F)c(Br)c1)CC(C)(C)S(C)(=O)=O ZINC000775646569 653320151 /nfs/dbraw/zinc/32/01/51/653320151.db2.gz PMBRMVZDXOLEBV-ZDUSSCGKSA-N 1 2 382.295 2.377 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)CC1(Br)Br ZINC000874709399 653333623 /nfs/dbraw/zinc/33/36/23/653333623.db2.gz CGVBSLXSNAICLD-CMPLNLGQSA-N 1 2 398.139 2.110 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)CC1(Br)Br ZINC000874709399 653333628 /nfs/dbraw/zinc/33/36/28/653333628.db2.gz CGVBSLXSNAICLD-CMPLNLGQSA-N 1 2 398.139 2.110 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000874709670 653333726 /nfs/dbraw/zinc/33/37/26/653333726.db2.gz JCEYZZMCEFIKLM-ZDUSSCGKSA-N 1 2 379.448 2.408 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000874709670 653333728 /nfs/dbraw/zinc/33/37/28/653333728.db2.gz JCEYZZMCEFIKLM-ZDUSSCGKSA-N 1 2 379.448 2.408 20 0 GEADLO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000874828308 653338858 /nfs/dbraw/zinc/33/88/58/653338858.db2.gz HBSPUCVKIMUVMN-OLZOCXBDSA-N 1 2 376.400 2.289 20 0 GEADLO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000874828308 653338860 /nfs/dbraw/zinc/33/88/60/653338860.db2.gz HBSPUCVKIMUVMN-OLZOCXBDSA-N 1 2 376.400 2.289 20 0 GEADLO C[C@@]1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1(Cl)Cl ZINC000836249155 653340919 /nfs/dbraw/zinc/34/09/19/653340919.db2.gz HTLOHPPGLHAPCM-UONOGXRCSA-N 1 2 382.357 2.077 20 0 GEADLO CN(CC(=O)N[C@H]1CCn2c[nH+]cc21)C(=O)c1ccc(Br)s1 ZINC000857985355 653346141 /nfs/dbraw/zinc/34/61/41/653346141.db2.gz JAVYZSKFSPLGOK-VIFPVBQESA-N 1 2 383.271 2.040 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000857986300 653346702 /nfs/dbraw/zinc/34/67/02/653346702.db2.gz PCKKUXPDHYKQMH-UONOGXRCSA-N 1 2 389.253 2.260 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)Cc2ccc(Br)cc2F)CCO1 ZINC000875193696 653356990 /nfs/dbraw/zinc/35/69/90/653356990.db2.gz DMIVHMGFCABONH-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)Cc2ccc(Br)cc2F)CCO1 ZINC000875193696 653356995 /nfs/dbraw/zinc/35/69/95/653356995.db2.gz DMIVHMGFCABONH-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000875391617 653367862 /nfs/dbraw/zinc/36/78/62/653367862.db2.gz SWPCSDKIRIYIBI-CYBMUJFWSA-N 1 2 386.290 2.065 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000875391617 653367867 /nfs/dbraw/zinc/36/78/67/653367867.db2.gz SWPCSDKIRIYIBI-CYBMUJFWSA-N 1 2 386.290 2.065 20 0 GEADLO O=S(=O)(c1ccc(Br)nc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000858892807 653383150 /nfs/dbraw/zinc/38/31/50/653383150.db2.gz LNBUMRVYVHGBDE-UHFFFAOYSA-N 1 2 392.294 2.232 20 0 GEADLO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Br)nc1F ZINC000858902757 653384227 /nfs/dbraw/zinc/38/42/27/653384227.db2.gz SKLRMOICMCNKEY-SNVBAGLBSA-N 1 2 380.283 2.136 20 0 GEADLO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(Br)nc1F ZINC000858902757 653384232 /nfs/dbraw/zinc/38/42/32/653384232.db2.gz SKLRMOICMCNKEY-SNVBAGLBSA-N 1 2 380.283 2.136 20 0 GEADLO C[C@@H]1COCC[N@H+](Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000777958237 653414152 /nfs/dbraw/zinc/41/41/52/653414152.db2.gz NGFLUXHUSLNEHR-JTQLQIEISA-N 1 2 388.205 2.125 20 0 GEADLO C[C@@H]1COCC[N@@H+](Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000777958237 653414154 /nfs/dbraw/zinc/41/41/54/653414154.db2.gz NGFLUXHUSLNEHR-JTQLQIEISA-N 1 2 388.205 2.125 20 0 GEADLO CC[N@H+](CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)[C@@H]1CCOC1 ZINC000812297044 653420939 /nfs/dbraw/zinc/42/09/39/653420939.db2.gz WTLFETDJQXGMCO-RHSMWYFYSA-N 1 2 396.285 2.284 20 0 GEADLO CC[N@@H+](CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)[C@@H]1CCOC1 ZINC000812297044 653420947 /nfs/dbraw/zinc/42/09/47/653420947.db2.gz WTLFETDJQXGMCO-RHSMWYFYSA-N 1 2 396.285 2.284 20 0 GEADLO CC(C)[C@H](CNC(=O)c1c(Br)nc2n1CCCC2)[NH+]1CCOCC1 ZINC000837324496 653427284 /nfs/dbraw/zinc/42/72/84/653427284.db2.gz ZRBAEVIDFGVBMW-ZDUSSCGKSA-N 1 2 399.333 2.069 20 0 GEADLO CCOC(=O)N1CCC[N@H+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000876655119 653441295 /nfs/dbraw/zinc/44/12/95/653441295.db2.gz WZIRVPLCFZJHOB-UHFFFAOYSA-N 1 2 382.262 2.156 20 0 GEADLO CCOC(=O)N1CCC[N@@H+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000876655119 653441300 /nfs/dbraw/zinc/44/13/00/653441300.db2.gz WZIRVPLCFZJHOB-UHFFFAOYSA-N 1 2 382.262 2.156 20 0 GEADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000876740721 653445357 /nfs/dbraw/zinc/44/53/57/653445357.db2.gz UMHHNCJLKQTDSL-IHRRRGAJSA-N 1 2 378.535 2.112 20 0 GEADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000876740721 653445360 /nfs/dbraw/zinc/44/53/60/653445360.db2.gz UMHHNCJLKQTDSL-IHRRRGAJSA-N 1 2 378.535 2.112 20 0 GEADLO CN(CC(F)F)C1CC[NH+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000876776716 653447433 /nfs/dbraw/zinc/44/74/33/653447433.db2.gz PRKRSZKCWFNPKZ-UHFFFAOYSA-N 1 2 381.876 2.149 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000876776716 653447439 /nfs/dbraw/zinc/44/74/39/653447439.db2.gz PRKRSZKCWFNPKZ-UHFFFAOYSA-N 1 2 381.876 2.149 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000876776716 653447445 /nfs/dbraw/zinc/44/74/45/653447445.db2.gz PRKRSZKCWFNPKZ-UHFFFAOYSA-N 1 2 381.876 2.149 20 0 GEADLO Cc1cccc(C2(O)CC[NH+](Cc3ccc(S(N)(=O)=O)s3)CC2)c1C ZINC000876769815 653447469 /nfs/dbraw/zinc/44/74/69/653447469.db2.gz AJKQZEYBRDYBRU-UHFFFAOYSA-N 1 2 380.535 2.496 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3ccncc3Br)C2)n1 ZINC000859363837 653450852 /nfs/dbraw/zinc/45/08/52/653450852.db2.gz XYQIGQJWKIVHDV-MRXNPFEDSA-N 1 2 381.274 2.359 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3ccncc3Br)C2)n1 ZINC000859363837 653450858 /nfs/dbraw/zinc/45/08/58/653450858.db2.gz XYQIGQJWKIVHDV-MRXNPFEDSA-N 1 2 381.274 2.359 20 0 GEADLO COC1CC[NH+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)CC1 ZINC000813090246 653460742 /nfs/dbraw/zinc/46/07/42/653460742.db2.gz ILAFIEYCICFHLA-QGZVFWFLSA-N 1 2 396.285 2.284 20 0 GEADLO C[NH+](C)CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000778945490 653463724 /nfs/dbraw/zinc/46/37/24/653463724.db2.gz HACASLSDONACHK-UHFFFAOYSA-N 1 2 383.499 2.009 20 0 GEADLO O=C1NC2(CO1)CC[NH+](Cc1ccc(I)s1)CC2 ZINC000877312846 653475681 /nfs/dbraw/zinc/47/56/81/653475681.db2.gz OFJCDZQKXRNQHI-UHFFFAOYSA-N 1 2 378.235 2.427 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000779568124 653499851 /nfs/dbraw/zinc/49/98/51/653499851.db2.gz YJCQTZCLKNDILI-CQSZACIVSA-N 1 2 391.225 2.099 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](C[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1)CC(F)(F)F ZINC000877546598 653611600 /nfs/dbraw/zinc/61/16/00/653611600.db2.gz LBZUAXOVFQFKOZ-NEPJUHHUSA-N 1 2 388.452 2.199 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](C[N@H+]1CC[C@@H](CS(C)(=O)=O)C1)CC(F)(F)F ZINC000877546598 653611608 /nfs/dbraw/zinc/61/16/08/653611608.db2.gz LBZUAXOVFQFKOZ-NEPJUHHUSA-N 1 2 388.452 2.199 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](C[N@@H+]1CC[C@H](CS(C)(=O)=O)C1)CC(F)(F)F ZINC000877546604 653611756 /nfs/dbraw/zinc/61/17/56/653611756.db2.gz LBZUAXOVFQFKOZ-RYUDHWBXSA-N 1 2 388.452 2.199 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](C[N@H+]1CC[C@H](CS(C)(=O)=O)C1)CC(F)(F)F ZINC000877546604 653611761 /nfs/dbraw/zinc/61/17/61/653611761.db2.gz LBZUAXOVFQFKOZ-RYUDHWBXSA-N 1 2 388.452 2.199 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1nc(Cl)ccc1Br)C1CCOCC1 ZINC000877567255 653612267 /nfs/dbraw/zinc/61/22/67/653612267.db2.gz HMBPZNRYBGWMPA-UHFFFAOYSA-N 1 2 397.722 2.181 20 0 GEADLO C[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C[C@@H](O)c1ccccc1Br ZINC000877577274 653612694 /nfs/dbraw/zinc/61/26/94/653612694.db2.gz VBVCHNYFZJWKGX-WMLDXEAASA-N 1 2 395.301 2.385 20 0 GEADLO C[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C[C@@H](O)c1ccccc1Br ZINC000877577274 653612700 /nfs/dbraw/zinc/61/27/00/653612700.db2.gz VBVCHNYFZJWKGX-WMLDXEAASA-N 1 2 395.301 2.385 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000877658459 653615642 /nfs/dbraw/zinc/61/56/42/653615642.db2.gz RVPHXMZNQHAEAE-AWEZNQCLSA-N 1 2 379.507 2.321 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000877658459 653615647 /nfs/dbraw/zinc/61/56/47/653615647.db2.gz RVPHXMZNQHAEAE-AWEZNQCLSA-N 1 2 379.507 2.321 20 0 GEADLO C[C@@H](C[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1)NC(=O)OC(C)(C)C ZINC000860099880 653617369 /nfs/dbraw/zinc/61/73/69/653617369.db2.gz JFTZWRDKOSGZJC-LBPRGKRZSA-N 1 2 391.559 2.343 20 0 GEADLO C[C@@H](C[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1)NC(=O)OC(C)(C)C ZINC000860099880 653617371 /nfs/dbraw/zinc/61/73/71/653617371.db2.gz JFTZWRDKOSGZJC-LBPRGKRZSA-N 1 2 391.559 2.343 20 0 GEADLO Cc1cc(Br)cn2c(C[NH+]3CCC(c4nnnn4C)CC3)cnc12 ZINC000877781021 653619671 /nfs/dbraw/zinc/61/96/71/653619671.db2.gz NSUVGUKTKAQGAQ-UHFFFAOYSA-N 1 2 390.289 2.308 20 0 GEADLO CONC(=O)C1CC[NH+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000877786439 653620189 /nfs/dbraw/zinc/62/01/89/653620189.db2.gz HVSHMVPOTGQHKV-UHFFFAOYSA-N 1 2 384.267 2.464 20 0 GEADLO C[N@H+](CCS(N)(=O)=O)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000877827260 653621970 /nfs/dbraw/zinc/62/19/70/653621970.db2.gz QXCZIIMDNXUNPK-UHFFFAOYSA-N 1 2 390.328 2.293 20 0 GEADLO C[N@@H+](CCS(N)(=O)=O)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000877827260 653621972 /nfs/dbraw/zinc/62/19/72/653621972.db2.gz QXCZIIMDNXUNPK-UHFFFAOYSA-N 1 2 390.328 2.293 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000877895436 653622638 /nfs/dbraw/zinc/62/26/38/653622638.db2.gz DTCGIFGLTYGUPX-AWEZNQCLSA-N 1 2 377.457 2.423 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000838562611 653625598 /nfs/dbraw/zinc/62/55/98/653625598.db2.gz SCZCRUWPCJUGOP-IUODEOHRSA-N 1 2 393.285 2.335 20 0 GEADLO COc1ccc([C@@H](C)[NH2+]Cc2nnc3c(=O)[nH]ccn23)cc1Br ZINC000878347549 653635349 /nfs/dbraw/zinc/63/53/49/653635349.db2.gz NFMBTVCWPJNCLT-SECBINFHSA-N 1 2 378.230 2.040 20 0 GEADLO Cn1ccnc1[C@@](O)(C[NH2+]Cc1cccc(O)c1Br)C(F)(F)F ZINC000838986284 653638902 /nfs/dbraw/zinc/63/89/02/653638902.db2.gz GSXQXGSKRLXZSF-ZDUSSCGKSA-N 1 2 394.191 2.428 20 0 GEADLO CCn1ncc(C[NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)n1 ZINC000839012713 653639421 /nfs/dbraw/zinc/63/94/21/653639421.db2.gz GWBVYKGXJHBEBN-HNNXBMFYSA-N 1 2 378.274 2.264 20 0 GEADLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878610067 653642399 /nfs/dbraw/zinc/64/23/99/653642399.db2.gz BQBDXOIXHAKNEE-GHMZBOCLSA-N 1 2 376.251 2.023 20 0 GEADLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878610067 653642400 /nfs/dbraw/zinc/64/24/00/653642400.db2.gz BQBDXOIXHAKNEE-GHMZBOCLSA-N 1 2 376.251 2.023 20 0 GEADLO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)s1 ZINC000878630087 653643325 /nfs/dbraw/zinc/64/33/25/653643325.db2.gz QQCRDQVJZNVINO-SNVBAGLBSA-N 1 2 379.404 2.210 20 0 GEADLO CCOC(=O)c1ncc(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)s1 ZINC000878630087 653643326 /nfs/dbraw/zinc/64/33/26/653643326.db2.gz QQCRDQVJZNVINO-SNVBAGLBSA-N 1 2 379.404 2.210 20 0 GEADLO COCCNC(=O)C1([NH2+]Cc2nc3ccc(Br)cc3s2)CC1 ZINC000839192035 653644236 /nfs/dbraw/zinc/64/42/36/653644236.db2.gz GPDGHJFLACUSLO-UHFFFAOYSA-N 1 2 384.299 2.444 20 0 GEADLO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@@H](O)c2cc(Br)no2)s1 ZINC000878727507 653645748 /nfs/dbraw/zinc/64/57/48/653645748.db2.gz ZOPYSGSWRUUHOH-RNFRBKRXSA-N 1 2 376.232 2.064 20 0 GEADLO Cn1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c1Cl ZINC000878795568 653647862 /nfs/dbraw/zinc/64/78/62/653647862.db2.gz RHLACNLUTSEZOG-SSDOTTSWSA-N 1 2 377.754 2.283 20 0 GEADLO Cn1nc(C(F)(F)F)c(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c1Cl ZINC000878795568 653647864 /nfs/dbraw/zinc/64/78/64/653647864.db2.gz RHLACNLUTSEZOG-SSDOTTSWSA-N 1 2 377.754 2.283 20 0 GEADLO Cc1ccnn1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000861235813 653650488 /nfs/dbraw/zinc/65/04/88/653650488.db2.gz HNOAQFBEMGVJHD-UHFFFAOYSA-N 1 2 392.301 2.345 20 0 GEADLO CSc1ccc([C@H](CNS(=O)(=O)c2ncn(C)c2Cl)[NH+](C)C)cc1 ZINC000815105212 653652368 /nfs/dbraw/zinc/65/23/68/653652368.db2.gz HZEIAJOKBCWRHH-ZDUSSCGKSA-N 1 2 388.946 2.377 20 0 GEADLO Cn1c(C[NH+]2CCC([C@H](F)C(N)=O)CC2)nc2ccc(Br)cc21 ZINC000879045170 653656554 /nfs/dbraw/zinc/65/65/54/653656554.db2.gz WIZWRIMAGLGYMX-HNNXBMFYSA-N 1 2 383.265 2.371 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)Cc1ccccc1I ZINC000782296481 653658635 /nfs/dbraw/zinc/65/86/35/653658635.db2.gz RUVHQTQZTFNWHT-LBPRGKRZSA-N 1 2 389.233 2.098 20 0 GEADLO O=C(CC[N@H+]1CCN(Cc2ccc(Br)cc2)C(=O)C1)N1CCCC1 ZINC000879101191 653659045 /nfs/dbraw/zinc/65/90/45/653659045.db2.gz DWGYNAJVDPWVST-UHFFFAOYSA-N 1 2 394.313 2.106 20 0 GEADLO O=C(CC[N@@H+]1CCN(Cc2ccc(Br)cc2)C(=O)C1)N1CCCC1 ZINC000879101191 653659047 /nfs/dbraw/zinc/65/90/47/653659047.db2.gz DWGYNAJVDPWVST-UHFFFAOYSA-N 1 2 394.313 2.106 20 0 GEADLO CO[C@@H]1C[C@H]2C[N@H+](Cc3nn(C)cc3Br)Cc3cccnc3N2C1 ZINC000879268470 653664362 /nfs/dbraw/zinc/66/43/62/653664362.db2.gz JBSGBRCFDAHIGR-UONOGXRCSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@@H]1C[C@H]2C[N@@H+](Cc3nn(C)cc3Br)Cc3cccnc3N2C1 ZINC000879268470 653664364 /nfs/dbraw/zinc/66/43/64/653664364.db2.gz JBSGBRCFDAHIGR-UONOGXRCSA-N 1 2 392.301 2.187 20 0 GEADLO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000840046322 653672495 /nfs/dbraw/zinc/67/24/95/653672495.db2.gz DMSVSWPRNSRGEP-HOTGVXAUSA-N 1 2 390.285 2.261 20 0 GEADLO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000840046322 653672496 /nfs/dbraw/zinc/67/24/96/653672496.db2.gz DMSVSWPRNSRGEP-HOTGVXAUSA-N 1 2 390.285 2.261 20 0 GEADLO COC(=O)c1sc2[nH]c(C[N@@H+]3CC[C@H]4CSC[C@@H]4C3)nc(=O)c2c1C ZINC000879561642 653673051 /nfs/dbraw/zinc/67/30/51/653673051.db2.gz RQELMRBDUDVEEG-QWRGUYRKSA-N 1 2 379.507 2.265 20 0 GEADLO COC(=O)c1sc2[nH]c(C[N@H+]3CC[C@H]4CSC[C@@H]4C3)nc(=O)c2c1C ZINC000879561642 653673054 /nfs/dbraw/zinc/67/30/54/653673054.db2.gz RQELMRBDUDVEEG-QWRGUYRKSA-N 1 2 379.507 2.265 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000879705168 653679608 /nfs/dbraw/zinc/67/96/08/653679608.db2.gz MHZBJDXJXSANIP-NEPJUHHUSA-N 1 2 380.436 2.465 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000879705168 653679610 /nfs/dbraw/zinc/67/96/10/653679610.db2.gz MHZBJDXJXSANIP-NEPJUHHUSA-N 1 2 380.436 2.465 20 0 GEADLO COC(=O)c1ccc(CNc2cc(NC[C@@H](C)O)[nH+]cn2)c(Br)c1 ZINC000840293188 653681724 /nfs/dbraw/zinc/68/17/24/653681724.db2.gz VEZAVNYSBONBKM-SNVBAGLBSA-N 1 2 395.257 2.431 20 0 GEADLO COC(=O)c1ccc(CNc2cc(NC[C@@H](C)O)nc[nH+]2)c(Br)c1 ZINC000840293188 653681725 /nfs/dbraw/zinc/68/17/25/653681725.db2.gz VEZAVNYSBONBKM-SNVBAGLBSA-N 1 2 395.257 2.431 20 0 GEADLO O=C1OCC[C@]12CCC[N@H+]2C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000784352373 653692546 /nfs/dbraw/zinc/69/25/46/653692546.db2.gz SUDWGGSGJNLVLY-XJKSGUPXSA-N 1 2 388.233 2.109 20 0 GEADLO O=C1OCC[C@]12CCC[N@@H+]2C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000784352373 653692550 /nfs/dbraw/zinc/69/25/50/653692550.db2.gz SUDWGGSGJNLVLY-XJKSGUPXSA-N 1 2 388.233 2.109 20 0 GEADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C(F)(F)F ZINC000880024744 653692811 /nfs/dbraw/zinc/69/28/11/653692811.db2.gz NJUXKEHVESXPMH-VXGBXAGGSA-N 1 2 388.452 2.056 20 0 GEADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C(F)(F)F ZINC000880024744 653692814 /nfs/dbraw/zinc/69/28/14/653692814.db2.gz NJUXKEHVESXPMH-VXGBXAGGSA-N 1 2 388.452 2.056 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000840933505 653701956 /nfs/dbraw/zinc/70/19/56/653701956.db2.gz GDHORDGOBWXHIZ-CQSZACIVSA-N 1 2 391.262 2.144 20 0 GEADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000880562921 653708188 /nfs/dbraw/zinc/70/81/88/653708188.db2.gz VCIXGINDBBOHBP-MRXNPFEDSA-N 1 2 381.226 2.214 20 0 GEADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000880562921 653708189 /nfs/dbraw/zinc/70/81/89/653708189.db2.gz VCIXGINDBBOHBP-MRXNPFEDSA-N 1 2 381.226 2.214 20 0 GEADLO CC(C)C[C@@H](C(N)=O)[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000880589720 653708491 /nfs/dbraw/zinc/70/84/91/653708491.db2.gz AITPWXSAEXTULL-ZDUSSCGKSA-N 1 2 390.347 2.301 20 0 GEADLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000880589720 653708493 /nfs/dbraw/zinc/70/84/93/653708493.db2.gz AITPWXSAEXTULL-ZDUSSCGKSA-N 1 2 390.347 2.301 20 0 GEADLO CNC(=O)[C@H]1CC[N@H+](Cn2nc(Nc3ccccc3OC)sc2=S)C1 ZINC000817369617 653709136 /nfs/dbraw/zinc/70/91/36/653709136.db2.gz DCTWWNJIXFDLGA-NSHDSACASA-N 1 2 379.511 2.452 20 0 GEADLO CNC(=O)[C@H]1CC[N@@H+](Cn2nc(Nc3ccccc3OC)sc2=S)C1 ZINC000817369617 653709139 /nfs/dbraw/zinc/70/91/39/653709139.db2.gz DCTWWNJIXFDLGA-NSHDSACASA-N 1 2 379.511 2.452 20 0 GEADLO COC[C@@H](C)[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785529382 653711699 /nfs/dbraw/zinc/71/16/99/653711699.db2.gz LPYJTQRASRBNNZ-GFCCVEGCSA-N 1 2 394.331 2.339 20 0 GEADLO COC[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785529382 653711702 /nfs/dbraw/zinc/71/17/02/653711702.db2.gz LPYJTQRASRBNNZ-GFCCVEGCSA-N 1 2 394.331 2.339 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000880893481 653717117 /nfs/dbraw/zinc/71/71/17/653717117.db2.gz PDCWXTNBUWVQTI-LLVKDONJSA-N 1 2 380.247 2.289 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC000863932949 653722477 /nfs/dbraw/zinc/72/24/77/653722477.db2.gz HWCJGZFNQAEOLN-ZIAGYGMSSA-N 1 2 376.254 2.016 20 0 GEADLO CC[C@@H]([NH2+]Cc1nn(CC)nc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000818344434 653730266 /nfs/dbraw/zinc/73/02/66/653730266.db2.gz CSMFOEFCINYFRS-CQSZACIVSA-N 1 2 385.921 2.409 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)c3c(Br)nnn3C)CC2)cc1 ZINC000881618077 653733957 /nfs/dbraw/zinc/73/39/57/653733957.db2.gz CSPCNBLITBEKSU-UHFFFAOYSA-N 1 2 392.301 2.098 20 0 GEADLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(Br)nn1C ZINC000787062408 653734001 /nfs/dbraw/zinc/73/40/01/653734001.db2.gz BUIASADGBOVUNU-SNVBAGLBSA-N 1 2 387.303 2.023 20 0 GEADLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Br)nn1C ZINC000787062408 653734002 /nfs/dbraw/zinc/73/40/02/653734002.db2.gz BUIASADGBOVUNU-SNVBAGLBSA-N 1 2 387.303 2.023 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)C[C@H]3COC(=O)C3)cc2Br)CC1 ZINC000787381099 653737912 /nfs/dbraw/zinc/73/79/12/653737912.db2.gz DYNVKVMXWLCYAE-GFCCVEGCSA-N 1 2 396.285 2.093 20 0 GEADLO COC(=O)C[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787391458 653738025 /nfs/dbraw/zinc/73/80/25/653738025.db2.gz ZSZCRAXHLGJQOD-LBPRGKRZSA-N 1 2 398.301 2.339 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)c3ccncn3)cc2Br)CC1 ZINC000787534594 653739610 /nfs/dbraw/zinc/73/96/10/653739610.db2.gz YWTVBOKTRGPAOL-UHFFFAOYSA-N 1 2 376.258 2.243 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)CCn3cccn3)cc2Br)CC1 ZINC000787532087 653739732 /nfs/dbraw/zinc/73/97/32/653739732.db2.gz FNQYCDQSYNQRLK-UHFFFAOYSA-N 1 2 392.301 2.426 20 0 GEADLO CCNC(=O)CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787674303 653741977 /nfs/dbraw/zinc/74/19/77/653741977.db2.gz MIXZIRVGSSOSPK-UHFFFAOYSA-N 1 2 397.317 2.056 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn([C@H]3C[C@H](Sc4ccccc4)C3)nn2)C1 ZINC000864653310 653742899 /nfs/dbraw/zinc/74/28/99/653742899.db2.gz YIWRUVYNOGYIJH-FRFSOERESA-N 1 2 378.523 2.051 20 0 GEADLO C[Si](C)(C)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000788020866 653747681 /nfs/dbraw/zinc/74/76/81/653747681.db2.gz JFRMNBVWJGDWFA-ROUUACIJSA-N 1 2 381.614 2.400 20 0 GEADLO C[Si](C)(C)c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000788020866 653747683 /nfs/dbraw/zinc/74/76/83/653747683.db2.gz JFRMNBVWJGDWFA-ROUUACIJSA-N 1 2 381.614 2.400 20 0 GEADLO CCOC(=O)c1nn(C[N@H+](C)CCNC(C)=O)c2ccc(Br)cc21 ZINC000842634738 653761275 /nfs/dbraw/zinc/76/12/75/653761275.db2.gz GKDNSQZBUMJCLI-UHFFFAOYSA-N 1 2 397.273 2.001 20 0 GEADLO CCOC(=O)c1nn(C[N@@H+](C)CCNC(C)=O)c2ccc(Br)cc21 ZINC000842634738 653761277 /nfs/dbraw/zinc/76/12/77/653761277.db2.gz GKDNSQZBUMJCLI-UHFFFAOYSA-N 1 2 397.273 2.001 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000882127207 653764032 /nfs/dbraw/zinc/76/40/32/653764032.db2.gz GNDFIAJABFSLDM-AWEZNQCLSA-N 1 2 378.281 2.233 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2C1 ZINC000788836210 653765251 /nfs/dbraw/zinc/76/52/51/653765251.db2.gz MJYNMZIFGARASX-UHFFFAOYSA-N 1 2 379.247 2.484 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2C1 ZINC000788836210 653765253 /nfs/dbraw/zinc/76/52/53/653765253.db2.gz MJYNMZIFGARASX-UHFFFAOYSA-N 1 2 379.247 2.484 20 0 GEADLO Cc1ccnc(C[NH2+]CCNS(=O)(=O)c2cccs2)c1Br ZINC000865506880 653766991 /nfs/dbraw/zinc/76/69/91/653766991.db2.gz VPQWXXBYDRMQQN-UHFFFAOYSA-N 1 2 390.328 2.282 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(Br)cc1F ZINC000788997973 653767911 /nfs/dbraw/zinc/76/79/11/653767911.db2.gz LOYPCYXZPITWQF-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2cccnc2Br)c1 ZINC000865586783 653769160 /nfs/dbraw/zinc/76/91/60/653769160.db2.gz GVEDMUWTUZRIEI-UHFFFAOYSA-N 1 2 384.299 2.384 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)/C=C/c2cccc(Br)c2)C1 ZINC000842878526 653771531 /nfs/dbraw/zinc/77/15/31/653771531.db2.gz CGYBPYJJEZLWBK-GPAKFWEMSA-N 1 2 377.279 2.383 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cscc1Br ZINC000842964209 653775031 /nfs/dbraw/zinc/77/50/31/653775031.db2.gz KRGKEDYVNWTJNP-QWRGUYRKSA-N 1 2 378.288 2.403 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cscc1Br ZINC000842964209 653775033 /nfs/dbraw/zinc/77/50/33/653775033.db2.gz KRGKEDYVNWTJNP-QWRGUYRKSA-N 1 2 378.288 2.403 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000789560986 653777236 /nfs/dbraw/zinc/77/72/36/653777236.db2.gz OSYKBORFRNDXDS-GFCCVEGCSA-N 1 2 382.251 2.207 20 0 GEADLO Cc1ccc2ncc(C[NH2+]Cc3c(I)cnn3C)n2c1 ZINC000865868939 653778229 /nfs/dbraw/zinc/77/82/29/653778229.db2.gz QQOSHMRPZNMWHH-UHFFFAOYSA-N 1 2 381.221 2.271 20 0 GEADLO CC[NH2+]Cc1noc([C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000843140743 653780506 /nfs/dbraw/zinc/78/05/06/653780506.db2.gz CLURCNDYUNALFC-QMMMGPOBSA-N 1 2 379.214 2.299 20 0 GEADLO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000866126838 653786586 /nfs/dbraw/zinc/78/65/86/653786586.db2.gz IZHYCQLYJOFUED-AWEZNQCLSA-N 1 2 393.285 2.034 20 0 GEADLO C[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)Oc1ccc(Br)cc1 ZINC000866182861 653788213 /nfs/dbraw/zinc/78/82/13/653788213.db2.gz GSFOKBLCSOOSBR-PYLYLYNFSA-N 1 2 383.286 2.221 20 0 GEADLO C[C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)Oc1ccc(Br)cc1 ZINC000866182860 653788303 /nfs/dbraw/zinc/78/83/03/653788303.db2.gz GSFOKBLCSOOSBR-HSWBROFVSA-N 1 2 383.286 2.221 20 0 GEADLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(Br)cn3)[nH+]cn2)C1 ZINC000866193446 653788419 /nfs/dbraw/zinc/78/84/19/653788419.db2.gz MHGGSTRECUUVNU-RYUDHWBXSA-N 1 2 378.274 2.453 20 0 GEADLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(Br)cn3)nc[nH+]2)C1 ZINC000866193446 653788422 /nfs/dbraw/zinc/78/84/22/653788422.db2.gz MHGGSTRECUUVNU-RYUDHWBXSA-N 1 2 378.274 2.453 20 0 GEADLO O=C(c1ccc2c(Br)cnn2c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000821015508 653788849 /nfs/dbraw/zinc/78/88/49/653788849.db2.gz OMAQGOQMOFBDEE-AWEZNQCLSA-N 1 2 393.285 2.034 20 0 GEADLO O=C(c1cnn2cccc(Br)c12)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000821015196 653788887 /nfs/dbraw/zinc/78/88/87/653788887.db2.gz IYOKEYNBGYSYMN-CYBMUJFWSA-N 1 2 393.285 2.034 20 0 GEADLO C[C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)Oc1ccccc1Br ZINC000866353222 653791309 /nfs/dbraw/zinc/79/13/09/653791309.db2.gz DYUXQXUTRQIPQA-BTKRWWFXSA-N 1 2 383.286 2.221 20 0 GEADLO O=C1CCCN1[C@@H]1CC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000790455243 653792375 /nfs/dbraw/zinc/79/23/75/653792375.db2.gz AEMMNIYRFKICAX-GFCCVEGCSA-N 1 2 380.242 2.011 20 0 GEADLO O=C1CCCN1[C@@H]1CC[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000790455243 653792379 /nfs/dbraw/zinc/79/23/79/653792379.db2.gz AEMMNIYRFKICAX-GFCCVEGCSA-N 1 2 380.242 2.011 20 0 GEADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCn1cnc(Br)n1 ZINC000821336467 653795189 /nfs/dbraw/zinc/79/51/89/653795189.db2.gz BKLQGSNPQUEXTE-NSHDSACASA-N 1 2 387.303 2.137 20 0 GEADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCn1cnc(Br)n1 ZINC000821336467 653795191 /nfs/dbraw/zinc/79/51/91/653795191.db2.gz BKLQGSNPQUEXTE-NSHDSACASA-N 1 2 387.303 2.137 20 0 GEADLO COc1cccc(Br)c1CS(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000866503094 653799436 /nfs/dbraw/zinc/79/94/36/653799436.db2.gz NOLOHLZGAIHKQJ-LLVKDONJSA-N 1 2 388.287 2.162 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000882735519 653801644 /nfs/dbraw/zinc/80/16/44/653801644.db2.gz JVDJGRMKEWNAFK-HNNXBMFYSA-N 1 2 391.269 2.496 20 0 GEADLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000882764645 653805555 /nfs/dbraw/zinc/80/55/55/653805555.db2.gz ADTOQHQWXOJWTL-ZFWWWQNUSA-N 1 2 388.917 2.128 20 0 GEADLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000882764645 653805558 /nfs/dbraw/zinc/80/55/58/653805558.db2.gz ADTOQHQWXOJWTL-ZFWWWQNUSA-N 1 2 388.917 2.128 20 0 GEADLO O=C(c1nc(Br)ccc1F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000791607409 653819305 /nfs/dbraw/zinc/81/93/05/653819305.db2.gz XTCBICCYDJMTCP-GFCCVEGCSA-N 1 2 386.265 2.310 20 0 GEADLO CCOC(=O)CC[N@H+](Cc1cn(C)nc1I)C(C)C ZINC000895190479 653822248 /nfs/dbraw/zinc/82/22/48/653822248.db2.gz QOKJWFRCDWDFFY-UHFFFAOYSA-N 1 2 379.242 2.188 20 0 GEADLO CCOC(=O)CC[N@@H+](Cc1cn(C)nc1I)C(C)C ZINC000895190479 653822251 /nfs/dbraw/zinc/82/22/51/653822251.db2.gz QOKJWFRCDWDFFY-UHFFFAOYSA-N 1 2 379.242 2.188 20 0 GEADLO O=C(NCC[C@H]1CCCS1(=O)=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000883063098 653824619 /nfs/dbraw/zinc/82/46/19/653824619.db2.gz CZQMZXWSYAMCKI-CABCVRRESA-N 1 2 385.555 2.152 20 0 GEADLO C[C@H](Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000895246059 653824723 /nfs/dbraw/zinc/82/47/23/653824723.db2.gz LEQFMSJHMDQPCK-GXFFZTMASA-N 1 2 383.411 2.165 20 0 GEADLO C[C@H](Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F)[C@H]1C[N@@H+](C)CCN1C ZINC000895246059 653824725 /nfs/dbraw/zinc/82/47/25/653824725.db2.gz LEQFMSJHMDQPCK-GXFFZTMASA-N 1 2 383.411 2.165 20 0 GEADLO C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)c1ccc(I)cc1 ZINC000822365220 653825481 /nfs/dbraw/zinc/82/54/81/653825481.db2.gz QGNZRVKKILQFSQ-LLVKDONJSA-N 1 2 383.233 2.487 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)NCC[C@H]1CCCS1(=O)=O)c1ccsc1 ZINC000883114391 653828422 /nfs/dbraw/zinc/82/84/22/653828422.db2.gz TXLDIIIFCADMDG-CVEARBPZSA-N 1 2 387.571 2.398 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)NCC[C@@H]1CCCS1(=O)=O)c1ccsc1 ZINC000883114392 653828460 /nfs/dbraw/zinc/82/84/60/653828460.db2.gz TXLDIIIFCADMDG-HOTGVXAUSA-N 1 2 387.571 2.398 20 0 GEADLO O=C1OCCN1C1CC[NH+](Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000895339901 653828818 /nfs/dbraw/zinc/82/88/18/653828818.db2.gz CERDVEVYKWKIMJ-UHFFFAOYSA-N 1 2 386.905 2.050 20 0 GEADLO O=C(NCCC[C@@H]1CC1(Cl)Cl)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000844913372 653829077 /nfs/dbraw/zinc/82/90/77/653829077.db2.gz VQTGYQYRELKJIO-UKRRQHHQSA-N 1 2 396.384 2.468 20 0 GEADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cn(C)nc3I)C2)nc1 ZINC000895405540 653832944 /nfs/dbraw/zinc/83/29/44/653832944.db2.gz KPTWGECRMKDORX-ZDUSSCGKSA-N 1 2 398.248 2.381 20 0 GEADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3cn(C)nc3I)C2)nc1 ZINC000895405540 653832946 /nfs/dbraw/zinc/83/29/46/653832946.db2.gz KPTWGECRMKDORX-ZDUSSCGKSA-N 1 2 398.248 2.381 20 0 GEADLO CCOC(=O)N(C)C1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC000822603212 653833340 /nfs/dbraw/zinc/83/33/40/653833340.db2.gz ZTRVXZJTIYNICQ-UHFFFAOYSA-N 1 2 389.543 2.051 20 0 GEADLO Cc1cc([C@@H](C)[NH2+]Cc2nnc3c(=O)n(C)ccn23)sc1Br ZINC000883331749 653835527 /nfs/dbraw/zinc/83/55/27/653835527.db2.gz FWRMUYQQUSVNSL-SECBINFHSA-N 1 2 382.287 2.411 20 0 GEADLO C[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1ccc(Br)c(F)c1 ZINC000883334869 653835823 /nfs/dbraw/zinc/83/58/23/653835823.db2.gz IWGLERDRLMORMC-SECBINFHSA-N 1 2 380.221 2.180 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1cc2c([nH]c1=O)CCCC2 ZINC000895465235 653836506 /nfs/dbraw/zinc/83/65/06/653836506.db2.gz RBDDNIPPCIDRHG-UHFFFAOYSA-N 1 2 398.248 2.294 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3ncc(Br)cc3O)C2)n1 ZINC000895507087 653838652 /nfs/dbraw/zinc/83/86/52/653838652.db2.gz LOVJOZZERWNEAU-MRXNPFEDSA-N 1 2 397.273 2.065 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3ncc(Br)cc3O)C2)n1 ZINC000895507087 653838656 /nfs/dbraw/zinc/83/86/56/653838656.db2.gz LOVJOZZERWNEAU-MRXNPFEDSA-N 1 2 397.273 2.065 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000866864357 653840213 /nfs/dbraw/zinc/84/02/13/653840213.db2.gz HQEBBPWTFMHQDH-HIFRSBDPSA-N 1 2 393.600 2.473 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000866864357 653840217 /nfs/dbraw/zinc/84/02/17/653840217.db2.gz HQEBBPWTFMHQDH-HIFRSBDPSA-N 1 2 393.600 2.473 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000866864457 653840397 /nfs/dbraw/zinc/84/03/97/653840397.db2.gz ITQFVHNSXHFMFL-BWFKNJDFSA-N 1 2 379.573 2.083 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000866864457 653840399 /nfs/dbraw/zinc/84/03/99/653840399.db2.gz ITQFVHNSXHFMFL-BWFKNJDFSA-N 1 2 379.573 2.083 20 0 GEADLO CS(=O)(=O)c1ccc2ncnc(N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)c2c1 ZINC000895568805 653841340 /nfs/dbraw/zinc/84/13/40/653841340.db2.gz KIZVIOKKIIEUGX-HOTGVXAUSA-N 1 2 378.523 2.025 20 0 GEADLO CS(=O)(=O)c1ccc2ncnc(N[C@H]3CCC[N@H+]4CCSC[C@@H]34)c2c1 ZINC000895568805 653841344 /nfs/dbraw/zinc/84/13/44/653841344.db2.gz KIZVIOKKIIEUGX-HOTGVXAUSA-N 1 2 378.523 2.025 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NCC[C@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000883488864 653843364 /nfs/dbraw/zinc/84/33/64/653843364.db2.gz XCVCDQDSTCQEKA-CVEARBPZSA-N 1 2 387.933 2.209 20 0 GEADLO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)N=S1(=O)CCCC1 ZINC000866906675 653847730 /nfs/dbraw/zinc/84/77/30/653847730.db2.gz XWLAGBBIJDLCTR-INIZCTEOSA-N 1 2 385.555 2.089 20 0 GEADLO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)N=S1(=O)CCCC1 ZINC000866906675 653847735 /nfs/dbraw/zinc/84/77/35/653847735.db2.gz XWLAGBBIJDLCTR-INIZCTEOSA-N 1 2 385.555 2.089 20 0 GEADLO CSCc1n[nH]c(C[NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)n1 ZINC000895813934 653851416 /nfs/dbraw/zinc/85/14/16/653851416.db2.gz NGXOBFUKGUFLHC-SNVBAGLBSA-N 1 2 377.461 2.402 20 0 GEADLO C[N@@H+]1CCN(c2nnc(C(F)(F)F)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000845503835 653851893 /nfs/dbraw/zinc/85/18/93/653851893.db2.gz JNHMXPGZUYBQBY-SECBINFHSA-N 1 2 381.424 2.202 20 0 GEADLO C[N@H+]1CCN(c2nnc(C(F)(F)F)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000845503835 653851896 /nfs/dbraw/zinc/85/18/96/653851896.db2.gz JNHMXPGZUYBQBY-SECBINFHSA-N 1 2 381.424 2.202 20 0 GEADLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895837731 653852078 /nfs/dbraw/zinc/85/20/78/653852078.db2.gz XQTSUMFZVSDRHD-CYBMUJFWSA-N 1 2 385.839 2.380 20 0 GEADLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895837731 653852081 /nfs/dbraw/zinc/85/20/81/653852081.db2.gz XQTSUMFZVSDRHD-CYBMUJFWSA-N 1 2 385.839 2.380 20 0 GEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(Br)n1 ZINC000792956181 653857636 /nfs/dbraw/zinc/85/76/36/653857636.db2.gz LLJPUTRIYBMUDZ-LLVKDONJSA-N 1 2 394.273 2.210 20 0 GEADLO COc1ccc(Br)cc1Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883990884 653859680 /nfs/dbraw/zinc/85/96/80/653859680.db2.gz JYYFTJBVVOFFQG-UHFFFAOYSA-N 1 2 381.274 2.054 20 0 GEADLO CC1(C)[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CS1(=O)=O ZINC000895980169 653859613 /nfs/dbraw/zinc/85/96/13/653859613.db2.gz QPGYLZUCAGNEBV-AWEZNQCLSA-N 1 2 384.299 2.300 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000866995289 653862201 /nfs/dbraw/zinc/86/22/01/653862201.db2.gz DVJIDCZMOGLNOS-GYCJOSAFSA-N 1 2 384.527 2.193 20 0 GEADLO Cc1cn(C(C)(C)C(=O)N(C)CC(=O)Nc2ccc(Br)cn2)c[nH+]1 ZINC000896103823 653864774 /nfs/dbraw/zinc/86/47/74/653864774.db2.gz YXDQGAVICGEOOG-UHFFFAOYSA-N 1 2 394.273 2.181 20 0 GEADLO Cc1nc(N2CCN(S(=O)(=O)Cc3ccc(F)cc3Cl)CC2)cc[nH+]1 ZINC000867105113 653879591 /nfs/dbraw/zinc/87/95/91/653879591.db2.gz JHURRMSEJHSRIM-UHFFFAOYSA-N 1 2 384.864 2.230 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896526841 653882658 /nfs/dbraw/zinc/88/26/58/653882658.db2.gz LPVNFZAZLYUKIE-KUZCPNRJSA-N 1 2 394.357 2.477 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896526841 653882660 /nfs/dbraw/zinc/88/26/60/653882660.db2.gz LPVNFZAZLYUKIE-KUZCPNRJSA-N 1 2 394.357 2.477 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896534218 653883247 /nfs/dbraw/zinc/88/32/47/653883247.db2.gz KYPWMWWSUSICTL-KKBVYLPWSA-N 1 2 380.330 2.303 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896534218 653883250 /nfs/dbraw/zinc/88/32/50/653883250.db2.gz KYPWMWWSUSICTL-KKBVYLPWSA-N 1 2 380.330 2.303 20 0 GEADLO COCC(C)(C)[NH+]1CCN(C(=O)c2sc(Br)nc2C)CC1 ZINC000824031796 653884209 /nfs/dbraw/zinc/88/42/09/653884209.db2.gz ZNNMPDSTJNPZAH-UHFFFAOYSA-N 1 2 376.320 2.397 20 0 GEADLO C[C@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896544466 653884223 /nfs/dbraw/zinc/88/42/23/653884223.db2.gz FPZIXCRWKFXNBG-WCQYABFASA-N 1 2 381.933 2.166 20 0 GEADLO C[C@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@H]1CN(C)CC[N@H+]1C ZINC000896544466 653884226 /nfs/dbraw/zinc/88/42/26/653884226.db2.gz FPZIXCRWKFXNBG-WCQYABFASA-N 1 2 381.933 2.166 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2nc(Br)cs2)cn1 ZINC000846096369 653886956 /nfs/dbraw/zinc/88/69/56/653886956.db2.gz WGUXFTYGJUEWOC-UHFFFAOYSA-N 1 2 395.286 2.178 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1snc(Cl)c1Cl)C2 ZINC000846122822 653887992 /nfs/dbraw/zinc/88/79/92/653887992.db2.gz QKFQMGOWHQXQDQ-MRVPVSSYSA-N 1 2 375.281 2.234 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)/C=C/c1ccc(Br)o1)C2 ZINC000846125531 653888043 /nfs/dbraw/zinc/88/80/43/653888043.db2.gz QACWGIAOMBMYKJ-NTYUQYKDSA-N 1 2 394.269 2.226 20 0 GEADLO Cc1cc(Br)sc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000846227886 653891718 /nfs/dbraw/zinc/89/17/18/653891718.db2.gz DSFGUOATQQLJSJ-SSDOTTSWSA-N 1 2 375.260 2.047 20 0 GEADLO Cn1cc(C[N@@H+]2CCn3nc(C4CC4)cc3C2)c(I)n1 ZINC000896937789 653900053 /nfs/dbraw/zinc/90/00/53/653900053.db2.gz ACIJWZZJNUIHGQ-UHFFFAOYSA-N 1 2 383.237 2.114 20 0 GEADLO Cn1cc(C[N@H+]2CCn3nc(C4CC4)cc3C2)c(I)n1 ZINC000896937789 653900056 /nfs/dbraw/zinc/90/00/56/653900056.db2.gz ACIJWZZJNUIHGQ-UHFFFAOYSA-N 1 2 383.237 2.114 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824838822 653909934 /nfs/dbraw/zinc/90/99/34/653909934.db2.gz SKAOMDHQJPNRLD-ZJUUUORDSA-N 1 2 395.223 2.025 20 0 GEADLO Cn1ncc(Br)c1C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824838822 653909938 /nfs/dbraw/zinc/90/99/38/653909938.db2.gz SKAOMDHQJPNRLD-ZJUUUORDSA-N 1 2 395.223 2.025 20 0 GEADLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794803119 653920997 /nfs/dbraw/zinc/92/09/97/653920997.db2.gz PQGMSDHQBCJVOA-VIFPVBQESA-N 1 2 382.313 2.160 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cnc(Cl)c(Br)c1 ZINC000847435879 653928720 /nfs/dbraw/zinc/92/87/20/653928720.db2.gz TYGAXUNBTNNDBN-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1cnc(Cl)c(Br)c1 ZINC000847435879 653928722 /nfs/dbraw/zinc/92/87/22/653928722.db2.gz TYGAXUNBTNNDBN-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO O=C1NCCN1CC1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000897583430 653928814 /nfs/dbraw/zinc/92/88/14/653928814.db2.gz TZXOPCFUYZZBQB-UHFFFAOYSA-N 1 2 392.301 2.334 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CCOC)c1 ZINC000795096607 653930432 /nfs/dbraw/zinc/93/04/32/653930432.db2.gz ZYDKYGCSBIRBFO-AWEZNQCLSA-N 1 2 388.917 2.322 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CCOC)c1 ZINC000795096607 653930434 /nfs/dbraw/zinc/93/04/34/653930434.db2.gz ZYDKYGCSBIRBFO-AWEZNQCLSA-N 1 2 388.917 2.322 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000847480315 653930359 /nfs/dbraw/zinc/93/03/59/653930359.db2.gz MVIAYGOTVZXKIN-UHFFFAOYSA-N 1 2 376.682 2.292 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(c2nccc3ccc(Br)cc32)CC1 ZINC000825807404 653941434 /nfs/dbraw/zinc/94/14/34/653941434.db2.gz DNHGVGLAJSQIQI-UHFFFAOYSA-N 1 2 377.286 2.383 20 0 GEADLO Cc1nc2ccccn2c1C[NH2+]Cc1cn(C)nc1I ZINC000898271943 653960991 /nfs/dbraw/zinc/96/09/91/653960991.db2.gz NCHWLPHNUGYGJH-UHFFFAOYSA-N 1 2 381.221 2.271 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000885948928 653964189 /nfs/dbraw/zinc/96/41/89/653964189.db2.gz JMDKWFYKHVOBGM-SWLSCSKDSA-N 1 2 376.931 2.134 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000885948927 653964354 /nfs/dbraw/zinc/96/43/54/653964354.db2.gz JMDKWFYKHVOBGM-IUODEOHRSA-N 1 2 376.931 2.134 20 0 GEADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cnc(F)c(Br)c2)CC1 ZINC000848211794 653964554 /nfs/dbraw/zinc/96/45/54/653964554.db2.gz XZQFRLKAIDWNRJ-UHFFFAOYSA-N 1 2 387.297 2.129 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c(OC)c1 ZINC000827001050 653969977 /nfs/dbraw/zinc/96/99/77/653969977.db2.gz RSVGSQDRUSZNKS-NSHDSACASA-N 1 2 385.258 2.493 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c(OC)c1 ZINC000827001050 653969979 /nfs/dbraw/zinc/96/99/79/653969979.db2.gz RSVGSQDRUSZNKS-NSHDSACASA-N 1 2 385.258 2.493 20 0 GEADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccc(I)c(O)c1 ZINC000898499891 653974487 /nfs/dbraw/zinc/97/44/87/653974487.db2.gz SXSCZHWYCQXHNE-NSHDSACASA-N 1 2 392.212 2.161 20 0 GEADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccc(I)c(O)c1 ZINC000898499891 653974490 /nfs/dbraw/zinc/97/44/90/653974490.db2.gz SXSCZHWYCQXHNE-NSHDSACASA-N 1 2 392.212 2.161 20 0 GEADLO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898503142 653974516 /nfs/dbraw/zinc/97/45/16/653974516.db2.gz JQQBTHGCPXLDEU-GFCCVEGCSA-N 1 2 383.265 2.500 20 0 GEADLO Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898503142 653974517 /nfs/dbraw/zinc/97/45/17/653974517.db2.gz JQQBTHGCPXLDEU-GFCCVEGCSA-N 1 2 383.265 2.500 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2cnn(C(C)(C)C)c2Br)CC1 ZINC000827158156 653978052 /nfs/dbraw/zinc/97/80/52/653978052.db2.gz OADRDORKVQCNIV-UHFFFAOYSA-N 1 2 387.322 2.195 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000795958243 653980175 /nfs/dbraw/zinc/98/01/75/653980175.db2.gz NPAGKWQUTFEWPB-JOCHJYFZSA-N 1 2 386.315 2.086 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)[C@@H](C)C1 ZINC000796070530 653984389 /nfs/dbraw/zinc/98/43/89/653984389.db2.gz NEXGUBCWZQYYGG-JTQLQIEISA-N 1 2 395.294 2.312 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)[C@@H](C)C1 ZINC000796070530 653984392 /nfs/dbraw/zinc/98/43/92/653984392.db2.gz NEXGUBCWZQYYGG-JTQLQIEISA-N 1 2 395.294 2.312 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CCCOc1cccc(Br)c1 ZINC000898880784 653990612 /nfs/dbraw/zinc/99/06/12/653990612.db2.gz FLACSJYDUQEXBQ-CQSZACIVSA-N 1 2 382.258 2.191 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000898888090 653991057 /nfs/dbraw/zinc/99/10/57/653991057.db2.gz NMWGCMHTOBUTJF-CQSZACIVSA-N 1 2 377.242 2.056 20 0 GEADLO COc1ccc(Br)cc1C1(C(=O)N[C@@H](CO)c2c[nH+]cn2C)CC1 ZINC000898892359 653991445 /nfs/dbraw/zinc/99/14/45/653991445.db2.gz PRJHHOABFSZAEA-ZDUSSCGKSA-N 1 2 394.269 2.073 20 0 GEADLO CC(C)(CNC(=O)COc1ccc(I)cc1)n1cc[nH+]c1 ZINC000898894054 653991497 /nfs/dbraw/zinc/99/14/97/653991497.db2.gz UYXFBYNCSQPQMM-UHFFFAOYSA-N 1 2 399.232 2.418 20 0 GEADLO O=C(NCCO)C1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000827446733 653992259 /nfs/dbraw/zinc/99/22/59/653992259.db2.gz GYMNXSFUAITZRR-UHFFFAOYSA-N 1 2 396.260 2.461 20 0 GEADLO COCCN(C)c1ccc(C[N@@H+]2CCn3ncc(Br)c3C2)cn1 ZINC000827451434 653992723 /nfs/dbraw/zinc/99/27/23/653992723.db2.gz ITNREZJIZXHQJF-UHFFFAOYSA-N 1 2 380.290 2.139 20 0 GEADLO COCCN(C)c1ccc(C[N@H+]2CCn3ncc(Br)c3C2)cn1 ZINC000827451434 653992725 /nfs/dbraw/zinc/99/27/25/653992725.db2.gz ITNREZJIZXHQJF-UHFFFAOYSA-N 1 2 380.290 2.139 20 0 GEADLO CN(C)S(=O)(=O)C1(C[NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)CC1 ZINC000886737222 653996679 /nfs/dbraw/zinc/99/66/79/653996679.db2.gz VXOHKRZPJXQRNW-INIZCTEOSA-N 1 2 382.917 2.177 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000827544477 653996897 /nfs/dbraw/zinc/99/68/97/653996897.db2.gz BUHZDMPVLCHCGP-UHFFFAOYSA-N 1 2 375.372 2.387 20 0 GEADLO OCCOCC1(O)CC[NH+](Cc2cccc(Br)c2Cl)CC1 ZINC000886751602 653997990 /nfs/dbraw/zinc/99/79/90/653997990.db2.gz WEWBOOKXKAXOLZ-UHFFFAOYSA-N 1 2 378.694 2.438 20 0 GEADLO Cc1c(F)c(Br)ccc1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899063356 653998042 /nfs/dbraw/zinc/99/80/42/653998042.db2.gz AQYYDOUZFYOECI-UHFFFAOYSA-N 1 2 387.249 2.075 20 0 GEADLO Cc1c(F)c(Br)ccc1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899063356 653998046 /nfs/dbraw/zinc/99/80/46/653998046.db2.gz AQYYDOUZFYOECI-UHFFFAOYSA-N 1 2 387.249 2.075 20 0 GEADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000867935247 654008980 /nfs/dbraw/zinc/00/89/80/654008980.db2.gz FFBANQGSVAIQCG-HNNXBMFYSA-N 1 2 379.258 2.309 20 0 GEADLO CC(C)(CO)[NH+]1CCN(C(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000827833876 654010214 /nfs/dbraw/zinc/01/02/14/654010214.db2.gz AGBJBNVNHADSDV-UHFFFAOYSA-N 1 2 391.256 2.456 20 0 GEADLO Cc1c(Br)ccc(F)c1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000827910356 654012633 /nfs/dbraw/zinc/01/26/33/654012633.db2.gz JDLCSKFXBRKJQI-AWEZNQCLSA-N 1 2 381.249 2.417 20 0 GEADLO Cc1c(Br)cc(F)cc1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000827917157 654012877 /nfs/dbraw/zinc/01/28/77/654012877.db2.gz NTZFORKYRFFVGL-OAHLLOKOSA-N 1 2 381.249 2.417 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)C(F)(F)c3cccc(Br)c3)CC[NH2+]2)cn1 ZINC000827915429 654012907 /nfs/dbraw/zinc/01/29/07/654012907.db2.gz GEFDHKCOOKUTGD-CQSZACIVSA-N 1 2 399.239 2.448 20 0 GEADLO Cn1ncc(I)c1C(=O)OCc1cccc2[nH+]ccn21 ZINC000796976077 654014526 /nfs/dbraw/zinc/01/45/26/654014526.db2.gz KCOXGVMOCLRAKA-UHFFFAOYSA-N 1 2 382.161 2.029 20 0 GEADLO Cn1cc(-c2cc3c(nn2)CC[N@H+](Cc2c(Cl)nc(Cl)n2C)C3)cn1 ZINC000828103892 654022011 /nfs/dbraw/zinc/02/20/11/654022011.db2.gz DLEAPSUTSNKQRM-UHFFFAOYSA-N 1 2 378.267 2.476 20 0 GEADLO Cn1cc(-c2cc3c(nn2)CC[N@@H+](Cc2c(Cl)nc(Cl)n2C)C3)cn1 ZINC000828103892 654022013 /nfs/dbraw/zinc/02/20/13/654022013.db2.gz DLEAPSUTSNKQRM-UHFFFAOYSA-N 1 2 378.267 2.476 20 0 GEADLO O=C(NCc1ncc(Br)s1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000868436188 654035889 /nfs/dbraw/zinc/03/58/89/654035889.db2.gz KFRVHCGBDCYFSK-SNVBAGLBSA-N 1 2 382.287 2.379 20 0 GEADLO COC(=O)c1cc(C2C[NH+](C[C@@H](O)c3ccccc3Br)C2)[nH]n1 ZINC000899914689 654036819 /nfs/dbraw/zinc/03/68/19/654036819.db2.gz OTLNGAIXGMGWIF-OAHLLOKOSA-N 1 2 380.242 2.092 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000868721649 654052315 /nfs/dbraw/zinc/05/23/15/654052315.db2.gz WBFNCGBKWLENJC-QKGUJMCYSA-N 1 2 391.309 2.314 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000868721649 654052317 /nfs/dbraw/zinc/05/23/17/654052317.db2.gz WBFNCGBKWLENJC-QKGUJMCYSA-N 1 2 391.309 2.314 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000900519045 654068346 /nfs/dbraw/zinc/06/83/46/654068346.db2.gz SUUKPUVHPUNQAW-UHFFFAOYSA-N 1 2 380.286 2.264 20 0 GEADLO CCN(OC)C(=O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000850338011 654071364 /nfs/dbraw/zinc/07/13/64/654071364.db2.gz CQYYOGNNFYUXQN-UHFFFAOYSA-N 1 2 382.629 2.444 20 0 GEADLO O[C@H](CNc1cc(N2CCOCC2)nc[nH+]1)c1ccccc1Br ZINC000829584767 654073525 /nfs/dbraw/zinc/07/35/25/654073525.db2.gz NMADPOKDQNMGJL-CQSZACIVSA-N 1 2 379.258 2.221 20 0 GEADLO O[C@H](CNc1cc(N2CCOCC2)[nH+]cn1)c1ccccc1Br ZINC000829584767 654073529 /nfs/dbraw/zinc/07/35/29/654073529.db2.gz NMADPOKDQNMGJL-CQSZACIVSA-N 1 2 379.258 2.221 20 0 GEADLO COCCOc1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)cc1Br ZINC000888294951 654075601 /nfs/dbraw/zinc/07/56/01/654075601.db2.gz UFKZDAAJVOSHPQ-IHWYPQMZSA-N 1 2 399.285 2.301 20 0 GEADLO CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000916479373 654096887 /nfs/dbraw/zinc/09/68/87/654096887.db2.gz YJHZDNCBQPEFLG-NSHDSACASA-N 1 2 380.388 2.006 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000869746132 654120102 /nfs/dbraw/zinc/12/01/02/654120102.db2.gz AGBWWKLZIOMUOP-IJULRBTCSA-N 1 2 377.282 2.092 20 0 GEADLO COC(=O)c1cc(NC(=O)/C=C(/C)C[NH+]2CCOCC2)ccc1Br ZINC000901322544 654120426 /nfs/dbraw/zinc/12/04/26/654120426.db2.gz ILPKFJBEIZXQCA-XFXZXTDPSA-N 1 2 397.269 2.453 20 0 GEADLO O=C(Oc1ccc(Br)cc1F)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000901353120 654121644 /nfs/dbraw/zinc/12/16/44/654121644.db2.gz PDMCGPSMNIVPML-DOMZBBRYSA-N 1 2 388.233 2.373 20 0 GEADLO Cn1nc(C(F)(F)F)c(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1Cl ZINC000889193225 654128449 /nfs/dbraw/zinc/12/84/49/654128449.db2.gz CCWSFPROAJMTFZ-UHFFFAOYSA-N 1 2 383.802 2.325 20 0 GEADLO Cn1nc(C(F)(F)F)c(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1Cl ZINC000889193225 654128450 /nfs/dbraw/zinc/12/84/50/654128450.db2.gz CCWSFPROAJMTFZ-UHFFFAOYSA-N 1 2 383.802 2.325 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)Cc2cc(OC)ccc2Br)C[C@@H]1C ZINC000800093121 654128837 /nfs/dbraw/zinc/12/88/37/654128837.db2.gz WPOUXYJVLADZDD-LBPRGKRZSA-N 1 2 391.331 2.314 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)Cc2cc(OC)ccc2Br)C[C@@H]1C ZINC000800093121 654128843 /nfs/dbraw/zinc/12/88/43/654128843.db2.gz WPOUXYJVLADZDD-LBPRGKRZSA-N 1 2 391.331 2.314 20 0 GEADLO CCOC(=O)C1=C(C[N@H+](C)Cc2cccc(Br)c2)NC(=O)N[C@H]1C ZINC000917841525 654135471 /nfs/dbraw/zinc/13/54/71/654135471.db2.gz UDSOHNVYGFXIGI-NSHDSACASA-N 1 2 396.285 2.399 20 0 GEADLO CCOC(=O)C1=C(C[N@@H+](C)Cc2cccc(Br)c2)NC(=O)N[C@H]1C ZINC000917841525 654135472 /nfs/dbraw/zinc/13/54/72/654135472.db2.gz UDSOHNVYGFXIGI-NSHDSACASA-N 1 2 396.285 2.399 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCOc3c(Br)cccc32)CCO1 ZINC000800703232 654156270 /nfs/dbraw/zinc/15/62/70/654156270.db2.gz QGBATDCOSXTSIC-DOMZBBRYSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCOc3c(Br)cccc32)CCO1 ZINC000800703232 654156274 /nfs/dbraw/zinc/15/62/74/654156274.db2.gz QGBATDCOSXTSIC-DOMZBBRYSA-N 1 2 398.301 2.293 20 0 GEADLO CNS(=O)(=O)c1csc(C(=O)OC[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000851466965 654156257 /nfs/dbraw/zinc/15/62/57/654156257.db2.gz NAIFWBQIOJAMSV-CQSZACIVSA-N 1 2 380.491 2.088 20 0 GEADLO CNS(=O)(=O)c1csc(C(=O)OC[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000851466965 654156261 /nfs/dbraw/zinc/15/62/61/654156261.db2.gz NAIFWBQIOJAMSV-CQSZACIVSA-N 1 2 380.491 2.088 20 0 GEADLO O=C(NCCc1sccc1Br)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000889653466 654157026 /nfs/dbraw/zinc/15/70/26/654157026.db2.gz KBVSNPMDZOWJPK-GFCCVEGCSA-N 1 2 388.331 2.169 20 0 GEADLO COC(=O)c1nn(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c(C)c1Br ZINC000800858046 654162190 /nfs/dbraw/zinc/16/21/90/654162190.db2.gz DGZDNVWGUXFUAY-LBPRGKRZSA-N 1 2 396.289 2.311 20 0 GEADLO COC(=O)c1nn(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c(C)c1Br ZINC000800858046 654162194 /nfs/dbraw/zinc/16/21/94/654162194.db2.gz DGZDNVWGUXFUAY-LBPRGKRZSA-N 1 2 396.289 2.311 20 0 GEADLO COc1cc(CS(=O)(=O)NCCn2c[nH+]cc2-c2ccccc2)sn1 ZINC000918839918 654163961 /nfs/dbraw/zinc/16/39/61/654163961.db2.gz XBJOMKRPBMVZNS-UHFFFAOYSA-N 1 2 378.479 2.135 20 0 GEADLO CCOC(=O)C[N@@H+](CCc1ccccc1)CCn1cnc(Br)n1 ZINC000851769798 654175713 /nfs/dbraw/zinc/17/57/13/654175713.db2.gz WILCSGYUSJNXPA-UHFFFAOYSA-N 1 2 381.274 2.148 20 0 GEADLO CCOC(=O)C[N@H+](CCc1ccccc1)CCn1cnc(Br)n1 ZINC000851769798 654175715 /nfs/dbraw/zinc/17/57/15/654175715.db2.gz WILCSGYUSJNXPA-UHFFFAOYSA-N 1 2 381.274 2.148 20 0 GEADLO Cn1c[nH+]cc1CCCn1cc(Cl)cc(I)c1=O ZINC000902428656 654177544 /nfs/dbraw/zinc/17/75/44/654177544.db2.gz PXLCWLGRUBEIEC-UHFFFAOYSA-N 1 2 377.613 2.473 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)NCC[C@@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000889814234 654177977 /nfs/dbraw/zinc/17/79/77/654177977.db2.gz FZSNMIODKPPJMW-HOTGVXAUSA-N 1 2 387.933 2.209 20 0 GEADLO Cc1ccc(C)c(-n2ccn(C[N@@H+]3CC[C@@H](CS(N)(=O)=O)C3)c2=S)c1 ZINC000902524752 654181778 /nfs/dbraw/zinc/18/17/78/654181778.db2.gz ULRZGTOTQQYFBH-OAHLLOKOSA-N 1 2 380.539 2.193 20 0 GEADLO Cc1ccc(C)c(-n2ccn(C[N@H+]3CC[C@@H](CS(N)(=O)=O)C3)c2=S)c1 ZINC000902524752 654181780 /nfs/dbraw/zinc/18/17/80/654181780.db2.gz ULRZGTOTQQYFBH-OAHLLOKOSA-N 1 2 380.539 2.193 20 0 GEADLO CCO[C@H]1CC[N@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000902528427 654182184 /nfs/dbraw/zinc/18/21/84/654182184.db2.gz MGFZGEZLGNXCKG-LBPRGKRZSA-N 1 2 385.511 2.282 20 0 GEADLO CCO[C@H]1CC[N@@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000902528427 654182186 /nfs/dbraw/zinc/18/21/86/654182186.db2.gz MGFZGEZLGNXCKG-LBPRGKRZSA-N 1 2 385.511 2.282 20 0 GEADLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](CCn2cnc(Br)n2)C1 ZINC000851835592 654188183 /nfs/dbraw/zinc/18/81/83/654188183.db2.gz AYSSNBDXKPBNKG-ZDUSSCGKSA-N 1 2 397.252 2.076 20 0 GEADLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](CCn2cnc(Br)n2)C1 ZINC000851835592 654188187 /nfs/dbraw/zinc/18/81/87/654188187.db2.gz AYSSNBDXKPBNKG-ZDUSSCGKSA-N 1 2 397.252 2.076 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)Sc2nnnn2C2CC2)n1 ZINC000919852468 654194384 /nfs/dbraw/zinc/19/43/84/654194384.db2.gz LNXHYMNLAQEWCO-JTQLQIEISA-N 1 2 381.531 2.426 20 0 GEADLO O=C(Cn1ccnc1Br)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000919868129 654194786 /nfs/dbraw/zinc/19/47/86/654194786.db2.gz ODKJFOIKSBWGJM-UHFFFAOYSA-N 1 2 379.258 2.117 20 0 GEADLO COc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cnc1Cl ZINC000851869935 654195617 /nfs/dbraw/zinc/19/56/17/654195617.db2.gz WAHHMUXDRYFANW-CQSZACIVSA-N 1 2 381.885 2.296 20 0 GEADLO COc1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cnc1Cl ZINC000851869935 654195623 /nfs/dbraw/zinc/19/56/23/654195623.db2.gz WAHHMUXDRYFANW-CQSZACIVSA-N 1 2 381.885 2.296 20 0 GEADLO C[C@H](CNC(=O)c1nnc(-c2ccns2)o1)[N@@H+]1CCc2sccc2C1 ZINC000902798641 654198029 /nfs/dbraw/zinc/19/80/29/654198029.db2.gz YQRYNXZVXRIBLU-SNVBAGLBSA-N 1 2 375.479 2.431 20 0 GEADLO C[C@H](CNC(=O)c1nnc(-c2ccns2)o1)[N@H+]1CCc2sccc2C1 ZINC000902798641 654198037 /nfs/dbraw/zinc/19/80/37/654198037.db2.gz YQRYNXZVXRIBLU-SNVBAGLBSA-N 1 2 375.479 2.431 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1Cl ZINC000920011141 654199707 /nfs/dbraw/zinc/19/97/07/654199707.db2.gz SNAKLEVFURBSRY-YPMHNXCESA-N 1 2 380.341 2.214 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1Cl ZINC000920011141 654199713 /nfs/dbraw/zinc/19/97/13/654199713.db2.gz SNAKLEVFURBSRY-YPMHNXCESA-N 1 2 380.341 2.214 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000801547723 654200157 /nfs/dbraw/zinc/20/01/57/654200157.db2.gz WDJDCWQRLOXDLP-UHFFFAOYSA-N 1 2 383.242 2.310 20 0 GEADLO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000851967271 654209407 /nfs/dbraw/zinc/20/94/07/654209407.db2.gz YOSLZUZLODVBCZ-BBRMVZONSA-N 1 2 375.358 2.138 20 0 GEADLO CCOP(=O)(OCC)[C@H](O)C[N@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000851967271 654209412 /nfs/dbraw/zinc/20/94/12/654209412.db2.gz YOSLZUZLODVBCZ-BBRMVZONSA-N 1 2 375.358 2.138 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000870944092 654211875 /nfs/dbraw/zinc/21/18/75/654211875.db2.gz BEKZQINPGFZPTL-SJKOYZFVSA-N 1 2 380.286 2.461 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000870944092 654211877 /nfs/dbraw/zinc/21/18/77/654211877.db2.gz BEKZQINPGFZPTL-SJKOYZFVSA-N 1 2 380.286 2.461 20 0 GEADLO Brc1ncn(CC[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)n1 ZINC000852014092 654212649 /nfs/dbraw/zinc/21/26/49/654212649.db2.gz BEZTVEMYNIZKSN-CYBMUJFWSA-N 1 2 379.306 2.453 20 0 GEADLO Brc1ncn(CC[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)n1 ZINC000852014092 654212658 /nfs/dbraw/zinc/21/26/58/654212658.db2.gz BEZTVEMYNIZKSN-CYBMUJFWSA-N 1 2 379.306 2.453 20 0 GEADLO Cn1ncc(S(=O)(=O)Nc2ccccc2CC[NH+](C)C)c1Br ZINC000903122086 654217966 /nfs/dbraw/zinc/21/79/66/654217966.db2.gz WYOYMMZBNJWLMJ-UHFFFAOYSA-N 1 2 387.303 2.088 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2OC)cs1 ZINC000903149158 654221589 /nfs/dbraw/zinc/22/15/89/654221589.db2.gz RKNGRAQJUNDNLI-UHFFFAOYSA-N 1 2 384.479 2.406 20 0 GEADLO C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1nc(Br)ccc1F ZINC000903290760 654232543 /nfs/dbraw/zinc/23/25/43/654232543.db2.gz FDGMEYPDRSVVCX-SNVBAGLBSA-N 1 2 380.283 2.059 20 0 GEADLO C[C@@](CO)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc(Br)c1 ZINC000890630418 654233284 /nfs/dbraw/zinc/23/32/84/654233284.db2.gz NJDBDIPXGKLZKK-PXAZEXFGSA-N 1 2 378.270 2.232 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)NCCc1ccc(I)cc1 ZINC000852343917 654234599 /nfs/dbraw/zinc/23/45/99/654234599.db2.gz IPSOVZMOLUQWMN-UHFFFAOYSA-N 1 2 384.221 2.067 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000852344584 654234618 /nfs/dbraw/zinc/23/46/18/654234618.db2.gz VDGPJCNSFISKPB-UHFFFAOYSA-N 1 2 378.274 2.214 20 0 GEADLO CCNC(=O)[C@@H](C)[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000921490595 654274421 /nfs/dbraw/zinc/27/44/21/654274421.db2.gz NKFXYLHDPJJRCS-SSDOTTSWSA-N 1 2 382.100 2.042 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)CCc2noc3ccccc32)n1 ZINC000921083062 654235323 /nfs/dbraw/zinc/23/53/23/654235323.db2.gz MYGBWMDKDFSINU-UHFFFAOYSA-N 1 2 380.495 2.008 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000921105535 654236327 /nfs/dbraw/zinc/23/63/27/654236327.db2.gz VLXBCKBPVPUVQE-UHFFFAOYSA-N 1 2 381.310 2.385 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)CN1Cc2ccc(Br)cc2C1=O ZINC000802741131 654239760 /nfs/dbraw/zinc/23/97/60/654239760.db2.gz VBINWHOPKACDKU-CYBMUJFWSA-N 1 2 382.302 2.015 20 0 GEADLO C[C@H](CN1CCOCC1)[N@H+](C)CN1Cc2ccc(Br)cc2C1=O ZINC000802741131 654239767 /nfs/dbraw/zinc/23/97/67/654239767.db2.gz VBINWHOPKACDKU-CYBMUJFWSA-N 1 2 382.302 2.015 20 0 GEADLO C[C@H](CN1CCOCC1)[N@@H+](C)CN1Cc2ccc(Br)cc2C1=O ZINC000802741131 654239772 /nfs/dbraw/zinc/23/97/72/654239772.db2.gz VBINWHOPKACDKU-CYBMUJFWSA-N 1 2 382.302 2.015 20 0 GEADLO O=C(C[NH+]1CCC(N2CCOC2=O)CC1)Nc1ccc(Br)cc1 ZINC000852723052 654255452 /nfs/dbraw/zinc/25/54/52/654255452.db2.gz MSSRNFLFVYAWRI-UHFFFAOYSA-N 1 2 382.258 2.304 20 0 GEADLO NC(=O)[C@@](O)(C[N@@H+]1CCOc2cc(Br)ccc2C1)c1ccccc1 ZINC000852726231 654255707 /nfs/dbraw/zinc/25/57/07/654255707.db2.gz XUUASKFDCSURFI-GOSISDBHSA-N 1 2 391.265 2.017 20 0 GEADLO NC(=O)[C@@](O)(C[N@H+]1CCOc2cc(Br)ccc2C1)c1ccccc1 ZINC000852726231 654255713 /nfs/dbraw/zinc/25/57/13/654255713.db2.gz XUUASKFDCSURFI-GOSISDBHSA-N 1 2 391.265 2.017 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000852855280 654263716 /nfs/dbraw/zinc/26/37/16/654263716.db2.gz YFUBVBUSPRDUJK-HNNXBMFYSA-N 1 2 391.269 2.032 20 0 GEADLO C[C@@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1(Br)Br ZINC000832518072 654271310 /nfs/dbraw/zinc/27/13/10/654271310.db2.gz VVZXARDZIWHKEL-KCJUWKMLSA-N 1 2 377.080 2.210 20 0 GEADLO O=S(=O)(N[C@H]1CCn2c[nH+]cc2C1)c1c[nH]c2c1cccc2Br ZINC000903644797 654271968 /nfs/dbraw/zinc/27/19/68/654271968.db2.gz KRFWEUBILGJNPP-JTQLQIEISA-N 1 2 395.282 2.420 20 0 GEADLO C[NH+]1CCN(c2nc3ccc(NS(=O)(=O)CC4(F)CC4)cc3s2)CC1 ZINC000903652916 654273160 /nfs/dbraw/zinc/27/31/60/654273160.db2.gz ZTQLBRRFVOCOKD-UHFFFAOYSA-N 1 2 384.502 2.292 20 0 GEADLO CCNC(=O)[C@H](C)[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000921490596 654274462 /nfs/dbraw/zinc/27/44/62/654274462.db2.gz NKFXYLHDPJJRCS-ZETCQYMHSA-N 1 2 382.100 2.042 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CO)c1ccccc1I ZINC000891321880 654283919 /nfs/dbraw/zinc/28/39/19/654283919.db2.gz KWRXAQXXTRAXBM-IINYFYTJSA-N 1 2 399.232 2.043 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CO)c1ccccc1I ZINC000891321880 654283921 /nfs/dbraw/zinc/28/39/21/654283921.db2.gz KWRXAQXXTRAXBM-IINYFYTJSA-N 1 2 399.232 2.043 20 0 GEADLO CCOC(=O)c1ncc(Br)c(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000891435232 654293543 /nfs/dbraw/zinc/29/35/43/654293543.db2.gz ZPIZZYRZYDDDKY-UHFFFAOYSA-N 1 2 392.257 2.137 20 0 GEADLO CC(C)(O)C[C@@H](O)C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000871966624 654293835 /nfs/dbraw/zinc/29/38/35/654293835.db2.gz UFJFVCIYZRLULK-GFCCVEGCSA-N 1 2 381.826 2.398 20 0 GEADLO CC(C)(O)C[C@H](O)C[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000871975749 654297559 /nfs/dbraw/zinc/29/75/59/654297559.db2.gz NOKCSAMFBGACCR-LBPRGKRZSA-N 1 2 375.296 2.273 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000853561144 654304280 /nfs/dbraw/zinc/30/42/80/654304280.db2.gz ZVLAJNWWHSMOEN-CABZTGNLSA-N 1 2 398.232 2.054 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000853561144 654304287 /nfs/dbraw/zinc/30/42/87/654304287.db2.gz ZVLAJNWWHSMOEN-CABZTGNLSA-N 1 2 398.232 2.054 20 0 GEADLO O=C(CC1OCCCO1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804270512 654304307 /nfs/dbraw/zinc/30/43/07/654304307.db2.gz ZNIPFTJEQYJQKY-UHFFFAOYSA-N 1 2 398.257 2.421 20 0 GEADLO O=C(c1ccnnc1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804269593 654304321 /nfs/dbraw/zinc/30/43/21/654304321.db2.gz YYVNYVPPPMJTEP-UHFFFAOYSA-N 1 2 376.214 2.371 20 0 GEADLO C[N@@H+]1CCN(c2nc(C(F)(F)F)ns2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000804556218 654313772 /nfs/dbraw/zinc/31/37/72/654313772.db2.gz ZJMQXEMOAVCLPZ-VIFPVBQESA-N 1 2 381.424 2.202 20 0 GEADLO C[N@H+]1CCN(c2nc(C(F)(F)F)ns2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000804556218 654313777 /nfs/dbraw/zinc/31/37/77/654313777.db2.gz ZJMQXEMOAVCLPZ-VIFPVBQESA-N 1 2 381.424 2.202 20 0 GEADLO [NH3+][C@@H](Cc1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1)C(F)F ZINC000904651756 654314865 /nfs/dbraw/zinc/31/48/65/654314865.db2.gz IQYNRFLUTPSWSM-QMMMGPOBSA-N 1 2 386.207 2.485 20 0 GEADLO Cc1nc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)sc1C(F)(F)F ZINC000905126988 654332964 /nfs/dbraw/zinc/33/29/64/654332964.db2.gz HZLKEGVTIFLYCT-MNOVXSKESA-N 1 2 379.404 2.289 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000905145004 654334464 /nfs/dbraw/zinc/33/44/64/654334464.db2.gz XXUIPZRUUWLBHZ-WCQYABFASA-N 1 2 379.262 2.371 20 0 GEADLO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1sccc1Br ZINC000921912451 654341436 /nfs/dbraw/zinc/34/14/36/654341436.db2.gz NYBUJNMOEAMKBC-NSHDSACASA-N 1 2 395.344 2.042 20 0 GEADLO O=S(=O)(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1sccc1Br ZINC000921912451 654341438 /nfs/dbraw/zinc/34/14/38/654341438.db2.gz NYBUJNMOEAMKBC-NSHDSACASA-N 1 2 395.344 2.042 20 0 GEADLO CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872464237 654345559 /nfs/dbraw/zinc/34/55/59/654345559.db2.gz UAPXKHXGZYYDSE-UPCLLVRISA-N 1 2 387.571 2.334 20 0 GEADLO CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872464237 654345561 /nfs/dbraw/zinc/34/55/61/654345561.db2.gz UAPXKHXGZYYDSE-UPCLLVRISA-N 1 2 387.571 2.334 20 0 GEADLO O=S(=O)(c1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1)N1CCCC1 ZINC000892769583 654363410 /nfs/dbraw/zinc/36/34/10/654363410.db2.gz BQFKUABZXMRGLR-UHFFFAOYSA-N 1 2 378.523 2.490 20 0 GEADLO CCn1c(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)nc(Br)c1Br ZINC000922101752 654367381 /nfs/dbraw/zinc/36/73/81/654367381.db2.gz XSGRWXVUYCFTKI-CBAPKCEASA-N 1 2 394.111 2.042 20 0 GEADLO CCNC(=O)C(C)(C)[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000922172825 654373619 /nfs/dbraw/zinc/37/36/19/654373619.db2.gz UBIVPNHAIPOSAC-UHFFFAOYSA-N 1 2 396.127 2.432 20 0 GEADLO C[NH+](C)Cc1csc(CN[C@H](C(N)=O)c2ccc(Br)cc2)n1 ZINC000905850169 654384605 /nfs/dbraw/zinc/38/46/05/654384605.db2.gz PMZVQZASMICCHI-AWEZNQCLSA-N 1 2 383.315 2.283 20 0 GEADLO NC(=O)[C@@H](C[NH2+]Cc1ncc(Br)cc1O)Cc1ccc(F)cc1 ZINC000893312406 654396828 /nfs/dbraw/zinc/39/68/28/654396828.db2.gz QFWNPSWKCFSELS-LLVKDONJSA-N 1 2 382.233 2.123 20 0 GEADLO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000922492341 654397341 /nfs/dbraw/zinc/39/73/41/654397341.db2.gz PVWKMBRUWCJXQR-UHFFFAOYSA-N 1 2 385.486 2.035 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000922516146 654399389 /nfs/dbraw/zinc/39/93/89/654399389.db2.gz UMCGVVCZJORWJY-QGZVFWFLSA-N 1 2 393.285 2.376 20 0 GEADLO COc1cc(Br)cc(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c1 ZINC000922675359 654407207 /nfs/dbraw/zinc/40/72/07/654407207.db2.gz MQDXDLYMQSYKBG-LBPRGKRZSA-N 1 2 381.274 2.376 20 0 GEADLO Cc1ncc(I)c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000893565905 654408535 /nfs/dbraw/zinc/40/85/35/654408535.db2.gz VBWVGTFFJGLAFF-GFCCVEGCSA-N 1 2 382.205 2.442 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)NCC[S@](=O)CC(F)(F)F)cn2c1 ZINC000855279244 654409038 /nfs/dbraw/zinc/40/90/38/654409038.db2.gz JODUEHINBWRZJX-VWLOTQADSA-N 1 2 393.456 2.303 20 0 GEADLO CS(=O)(=O)C[C@H]([NH2+]Cc1ncc(Br)cc1O)c1ccccc1 ZINC000893613996 654410455 /nfs/dbraw/zinc/41/04/55/654410455.db2.gz OJAVOEWIRQKMGY-AWEZNQCLSA-N 1 2 385.283 2.425 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCc2ncc(Cl)s2)CC1 ZINC000873091636 654414492 /nfs/dbraw/zinc/41/44/92/654414492.db2.gz SCWKKGZJRZKFJK-UHFFFAOYSA-N 1 2 388.921 2.402 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N2CCC[C@H]2c2ncc(Br)cn2)c1 ZINC000922824599 654415402 /nfs/dbraw/zinc/41/54/02/654415402.db2.gz XVXKIJJKDZQVJJ-ZDUSSCGKSA-N 1 2 379.262 2.062 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)[C@@]1(F)CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000906081720 654415516 /nfs/dbraw/zinc/41/55/16/654415516.db2.gz PVFQQHJTRSQENW-DZGCQCFKSA-N 1 2 397.299 2.239 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cnn(C(C)(C)C)c2Br)[C@@H](C)CO1 ZINC000855406275 654416946 /nfs/dbraw/zinc/41/69/46/654416946.db2.gz COSBUPRHGLEPFJ-NWDGAFQWSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cnn(C(C)(C)C)c2Br)[C@@H](C)CO1 ZINC000855406275 654416950 /nfs/dbraw/zinc/41/69/50/654416950.db2.gz COSBUPRHGLEPFJ-NWDGAFQWSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)ncc2Cl)[C@@H](C)CO1 ZINC000855412326 654417625 /nfs/dbraw/zinc/41/76/25/654417625.db2.gz STYTVQSJKGIZFU-VHSXEESVSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)ncc2Cl)[C@@H](C)CO1 ZINC000855412326 654417626 /nfs/dbraw/zinc/41/76/26/654417626.db2.gz STYTVQSJKGIZFU-VHSXEESVSA-N 1 2 376.682 2.337 20 0 GEADLO O=C1CC[C@H]([NH2+]c2ccc(N3CC[C@@H](CO)C3)c(Br)c2)CCN1 ZINC000873149873 654418852 /nfs/dbraw/zinc/41/88/52/654418852.db2.gz FUVUBQLZIHWYHB-OLZOCXBDSA-N 1 2 382.302 2.348 20 0 GEADLO C[N@H+](CC(=O)[O-])C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923230853 654435484 /nfs/dbraw/zinc/43/54/84/654435484.db2.gz LAFMJKYEEVLRGK-ZDUSSCGKSA-N 1 2 391.295 2.214 20 0 GEADLO C[N@@H+](CC(=O)[O-])C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923230853 654435486 /nfs/dbraw/zinc/43/54/86/654435486.db2.gz LAFMJKYEEVLRGK-ZDUSSCGKSA-N 1 2 391.295 2.214 20 0 GEADLO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000923238730 654436295 /nfs/dbraw/zinc/43/62/95/654436295.db2.gz NHZBUTFMWGQHPZ-HZPDHXFCSA-N 1 2 385.302 2.353 20 0 GEADLO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000923238730 654436298 /nfs/dbraw/zinc/43/62/98/654436298.db2.gz NHZBUTFMWGQHPZ-HZPDHXFCSA-N 1 2 385.302 2.353 20 0 GEADLO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000923238730 654436302 /nfs/dbraw/zinc/43/63/02/654436302.db2.gz NHZBUTFMWGQHPZ-HZPDHXFCSA-N 1 2 385.302 2.353 20 0 GEADLO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000923238730 654436305 /nfs/dbraw/zinc/43/63/05/654436305.db2.gz NHZBUTFMWGQHPZ-HZPDHXFCSA-N 1 2 385.302 2.353 20 0 GEADLO O=C(c1nscc1I)N1CC(Oc2cc[nH+]cc2)C1 ZINC000906535851 654447136 /nfs/dbraw/zinc/44/71/36/654447136.db2.gz DGAGYISXBAJIGT-UHFFFAOYSA-N 1 2 387.202 2.046 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NC[C@@H](n2cccn2)C(F)(F)F)n1 ZINC000923386887 654448020 /nfs/dbraw/zinc/44/80/20/654448020.db2.gz BSOQZSCDEHCJIB-LLVKDONJSA-N 1 2 376.408 2.004 20 0 GEADLO COC(=O)N(C)CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000855939693 654449817 /nfs/dbraw/zinc/44/98/17/654449817.db2.gz BCWKYGDOQTUVCJ-HNNXBMFYSA-N 1 2 398.301 2.400 20 0 GEADLO CN(C)C(=O)c1cccc(C[NH2+]Cc2c(I)cnn2C)c1 ZINC000894164055 654451735 /nfs/dbraw/zinc/45/17/35/654451735.db2.gz AKIBWVAKSVZXPJ-UHFFFAOYSA-N 1 2 398.248 2.016 20 0 GEADLO Cn1nc(Br)nc1C[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000894200078 654455335 /nfs/dbraw/zinc/45/53/35/654455335.db2.gz IVTSSTQNVZSIQH-UHFFFAOYSA-N 1 2 378.274 2.384 20 0 GEADLO CC(C)C[C@@H]([NH2+]Cc1nc(Br)nn1C)C(=O)Nc1nccs1 ZINC000894360108 654469368 /nfs/dbraw/zinc/46/93/68/654469368.db2.gz VOYHCKHYUPWQLQ-SECBINFHSA-N 1 2 387.307 2.177 20 0 GEADLO C[C@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)Cn1cc[nH+]c1 ZINC000906765315 654469604 /nfs/dbraw/zinc/46/96/04/654469604.db2.gz DHSQNQZAOJBFAZ-LLVKDONJSA-N 1 2 379.258 2.208 20 0 GEADLO CC(C)n1cc(Br)c(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000906825392 654476458 /nfs/dbraw/zinc/47/64/58/654476458.db2.gz GUNMOEJIFFOZHN-ZDUSSCGKSA-N 1 2 385.306 2.163 20 0 GEADLO O=C(OCc1ccc(Br)s1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923777872 654483431 /nfs/dbraw/zinc/48/34/31/654483431.db2.gz URRAVUKTEMRRIK-YPMHNXCESA-N 1 2 390.299 2.434 20 0 GEADLO Cn1nc(Br)nc1CNC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000894562475 654486757 /nfs/dbraw/zinc/48/67/57/654486757.db2.gz OSNGRCCXOYCWDY-CQSZACIVSA-N 1 2 396.358 2.285 20 0 GEADLO Cn1nc(Br)nc1CNC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000894562475 654486760 /nfs/dbraw/zinc/48/67/60/654486760.db2.gz OSNGRCCXOYCWDY-CQSZACIVSA-N 1 2 396.358 2.285 20 0 GEADLO Cc1noc(C[C@H]([NH2+]Cc2nc(Br)nn2C)c2ccccc2)n1 ZINC000894567598 654487110 /nfs/dbraw/zinc/48/71/10/654487110.db2.gz SGEILDIASPJITL-LBPRGKRZSA-N 1 2 377.246 2.343 20 0 GEADLO O=C(NCC[C@@H]1CC1(Cl)Cl)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000856826984 654496291 /nfs/dbraw/zinc/49/62/91/654496291.db2.gz NUWWKIXNYOCLIR-TZMCWYRMSA-N 1 2 382.357 2.077 20 0 GEADLO O=C(NCC[C@@H]1CC1(Cl)Cl)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000856826982 654496384 /nfs/dbraw/zinc/49/63/84/654496384.db2.gz NUWWKIXNYOCLIR-OCCSQVGLSA-N 1 2 382.357 2.077 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000924130185 654502324 /nfs/dbraw/zinc/50/23/24/654502324.db2.gz YXEPPKWYPLIZQJ-CYBMUJFWSA-N 1 2 378.226 2.394 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)oc1Cl ZINC000907041566 654502893 /nfs/dbraw/zinc/50/28/93/654502893.db2.gz GFYPBQOFMNNMGK-JQWIXIFHSA-N 1 2 387.845 2.188 20 0 GEADLO Cn1cc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(Br)n1 ZINC000924550986 654516962 /nfs/dbraw/zinc/51/69/62/654516962.db2.gz USUFZIFKMSFATD-UHFFFAOYSA-N 1 2 398.330 2.272 20 0 GEADLO C[C@H]1CCN(C(=O)NCc2cn(C)nc2Br)C[C@H]1n1cc[nH+]c1 ZINC000924558981 654518339 /nfs/dbraw/zinc/51/83/39/654518339.db2.gz GCIXBFCPTLNDRT-WCQYABFASA-N 1 2 381.278 2.172 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000907308236 654530231 /nfs/dbraw/zinc/53/02/31/654530231.db2.gz QBCUWLHIXHGHKH-UHFFFAOYSA-N 1 2 394.298 2.461 20 0 GEADLO C[C@H](c1cccc(Br)c1)N1CC(=O)N(C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000925298707 654540479 /nfs/dbraw/zinc/54/04/79/654540479.db2.gz JHIZBWICOKWBOR-IUODEOHRSA-N 1 2 396.285 2.105 20 0 GEADLO C[C@H](c1cccc(Br)c1)N1CC(=O)N(C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000925298707 654540484 /nfs/dbraw/zinc/54/04/84/654540484.db2.gz JHIZBWICOKWBOR-IUODEOHRSA-N 1 2 396.285 2.105 20 0 GEADLO CN(C)[C@@H](C(=O)Nc1nc2c(cccc2Br)[nH]1)c1c[nH+]cn1C ZINC000925627058 654546967 /nfs/dbraw/zinc/54/69/67/654546967.db2.gz VYFKVTSZNHIMEA-CYBMUJFWSA-N 1 2 377.246 2.300 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3[C@@H]4C(=O)CC[C@H]34)cc2Br)CC1 ZINC000907656011 654564687 /nfs/dbraw/zinc/56/46/87/654564687.db2.gz UMPJAWQHVXHHKZ-AFAVFJNCSA-N 1 2 392.297 2.365 20 0 GEADLO Cc1nonc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000926407934 654570524 /nfs/dbraw/zinc/57/05/24/654570524.db2.gz FUNRFFHEYGOEKW-MRVPVSSYSA-N 1 2 379.269 2.314 20 0 GEADLO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)c2ncnn21 ZINC000926412155 654570614 /nfs/dbraw/zinc/57/06/14/654570614.db2.gz XWJOQYLFHGIVFQ-KOLCDFICSA-N 1 2 390.296 2.159 20 0 GEADLO O=C(Cc1c[nH]c2ccc(Br)cc12)NCC1([NH+]2CCOCC2)CC1 ZINC000907757979 654575220 /nfs/dbraw/zinc/57/52/20/654575220.db2.gz CVGOHMYITRPWJC-UHFFFAOYSA-N 1 2 392.297 2.454 20 0 GEADLO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926784980 654582030 /nfs/dbraw/zinc/58/20/30/654582030.db2.gz HAGCRYQZBCRTOM-VGMNWLOBSA-N 1 2 381.782 2.471 20 0 GEADLO O=C(NCC1(n2cc(Br)cn2)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000927103652 654591977 /nfs/dbraw/zinc/59/19/77/654591977.db2.gz RZKZHGAAKCFSNT-UHFFFAOYSA-N 1 2 393.289 2.447 20 0 GEADLO C/C(=C/C(=O)N[C@H]1COc2cc(F)c(Br)cc21)C[NH+]1CCOCC1 ZINC000908020490 654597406 /nfs/dbraw/zinc/59/74/06/654597406.db2.gz ICKZTLAASPRJQZ-FTXNUJCXSA-N 1 2 399.260 2.416 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Br)cnc2C)C1 ZINC000909014600 654650051 /nfs/dbraw/zinc/65/00/51/654650051.db2.gz WYIBQPOXONBFOB-GFCCVEGCSA-N 1 2 384.274 2.366 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Br)cnc2C)C1 ZINC000909014600 654650055 /nfs/dbraw/zinc/65/00/55/654650055.db2.gz WYIBQPOXONBFOB-GFCCVEGCSA-N 1 2 384.274 2.366 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(Cl)ncc1Br ZINC000928647961 654654076 /nfs/dbraw/zinc/65/40/76/654654076.db2.gz NGODCNPWRPNWJY-JTQLQIEISA-N 1 2 376.682 2.338 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000928651247 654654339 /nfs/dbraw/zinc/65/43/39/654654339.db2.gz PABBRWNQTKVGQY-GFCCVEGCSA-N 1 2 392.244 2.366 20 0 GEADLO C/C(=C\C(=O)Nc1cc(N(C)C)c(Br)cn1)C[NH+]1CCOCC1 ZINC000909268221 654658046 /nfs/dbraw/zinc/65/80/46/654658046.db2.gz YVAZFRMLMPCHGI-XYOKQWHBSA-N 1 2 383.290 2.127 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)NCCCn1cc[nH+]c1 ZINC000929155354 654673181 /nfs/dbraw/zinc/67/31/81/654673181.db2.gz AFUUENRQVLZQBV-ZDUSSCGKSA-N 1 2 377.242 2.278 20 0 GEADLO Cc1nnsc1[C@H](C)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000929631490 654689089 /nfs/dbraw/zinc/68/90/89/654689089.db2.gz GPBUTHHEDGTZGK-JTQLQIEISA-N 1 2 386.465 2.196 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC000929645626 654689407 /nfs/dbraw/zinc/68/94/07/654689407.db2.gz FPWZCJAZWXGVTF-AWEZNQCLSA-N 1 2 399.333 2.449 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C1(n2cc(Br)cn2)CC1 ZINC000929989530 654696709 /nfs/dbraw/zinc/69/67/09/654696709.db2.gz GZFCLKWJPIFFCU-UHFFFAOYSA-N 1 2 378.274 2.026 20 0 GEADLO OC1(c2scnc2Br)CC[NH+](C[C@H]2CCC3(COC3)O2)CC1 ZINC000930306266 654705436 /nfs/dbraw/zinc/70/54/36/654705436.db2.gz SODZTHCHWSQXRH-LLVKDONJSA-N 1 2 389.315 2.137 20 0 GEADLO Cn1cc(Br)c(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1=O ZINC000930533178 654712538 /nfs/dbraw/zinc/71/25/38/654712538.db2.gz HSCVVAFHEDVIFX-ZDUSSCGKSA-N 1 2 381.274 2.189 20 0 GEADLO CCOC(=O)C1([S@](C)=O)CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000930604828 654714878 /nfs/dbraw/zinc/71/48/78/654714878.db2.gz TXDCZQAOJZVESD-YGCGCYASSA-N 1 2 385.448 2.263 20 0 GEADLO CCOC(=O)C1([S@](C)=O)CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000930604827 654714894 /nfs/dbraw/zinc/71/48/94/654714894.db2.gz TXDCZQAOJZVESD-OCDDVZBJSA-N 1 2 385.448 2.263 20 0 GEADLO COC(=O)c1cc(Br)c(C[N@H+](C)C[C@@H]2COCCO2)cc1OC ZINC000930996272 654726017 /nfs/dbraw/zinc/72/60/17/654726017.db2.gz MRSLSIHDCDXUTI-GFCCVEGCSA-N 1 2 388.258 2.092 20 0 GEADLO COC(=O)c1cc(Br)c(C[N@@H+](C)C[C@@H]2COCCO2)cc1OC ZINC000930996272 654726018 /nfs/dbraw/zinc/72/60/18/654726018.db2.gz MRSLSIHDCDXUTI-GFCCVEGCSA-N 1 2 388.258 2.092 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCNC(=O)CC1(C)C)c1ccc(Br)cc1 ZINC000931205564 654733794 /nfs/dbraw/zinc/73/37/94/654733794.db2.gz FRZWMORRCMORIW-LBPRGKRZSA-N 1 2 382.302 2.227 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCNC(=O)CC1(C)C)c1ccc(Br)cc1 ZINC000931205564 654733797 /nfs/dbraw/zinc/73/37/97/654733797.db2.gz FRZWMORRCMORIW-LBPRGKRZSA-N 1 2 382.302 2.227 20 0 GEADLO CC[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000931226797 654734697 /nfs/dbraw/zinc/73/46/97/654734697.db2.gz XQBWSDOPTXUWSU-HOTGVXAUSA-N 1 2 387.933 2.050 20 0 GEADLO CC[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000931226797 654734701 /nfs/dbraw/zinc/73/47/01/654734701.db2.gz XQBWSDOPTXUWSU-HOTGVXAUSA-N 1 2 387.933 2.050 20 0 GEADLO Cc1nc2c(c(=O)[nH]1)C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000931315015 654738177 /nfs/dbraw/zinc/73/81/77/654738177.db2.gz LYDALUCIHBPNPK-LBPRGKRZSA-N 1 2 398.232 2.148 20 0 GEADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000931315015 654738178 /nfs/dbraw/zinc/73/81/78/654738178.db2.gz LYDALUCIHBPNPK-LBPRGKRZSA-N 1 2 398.232 2.148 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc3ccc(Br)cc3c(=O)o2)CCO1 ZINC000931401515 654741050 /nfs/dbraw/zinc/74/10/50/654741050.db2.gz LJHZWYSLOSWKQJ-LLVKDONJSA-N 1 2 395.253 2.006 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc3ccc(Br)cc3c(=O)o2)CCO1 ZINC000931401515 654741053 /nfs/dbraw/zinc/74/10/53/654741053.db2.gz LJHZWYSLOSWKQJ-LLVKDONJSA-N 1 2 395.253 2.006 20 0 GEADLO C[C@]12CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C2(Br)Br ZINC000912296280 654749200 /nfs/dbraw/zinc/74/92/00/654749200.db2.gz RCEBJFHATUZVOL-KOLCDFICSA-N 1 2 377.080 2.307 20 0 GEADLO CCOC(=O)Cc1cnc(NC(=O)NCc2nc(C[NH+](C)C)cs2)s1 ZINC000931693962 654753698 /nfs/dbraw/zinc/75/36/98/654753698.db2.gz KEEDWUQDXKHCLI-UHFFFAOYSA-N 1 2 383.499 2.089 20 0 GEADLO C[N@@H+](Cc1ncc(Br)cn1)C[C@H](O)COCc1ccccc1F ZINC000931868589 654759481 /nfs/dbraw/zinc/75/94/81/654759481.db2.gz AHZQPOAOSINFSD-AWEZNQCLSA-N 1 2 384.249 2.388 20 0 GEADLO C[N@H+](Cc1ncc(Br)cn1)C[C@H](O)COCc1ccccc1F ZINC000931868589 654759482 /nfs/dbraw/zinc/75/94/82/654759482.db2.gz AHZQPOAOSINFSD-AWEZNQCLSA-N 1 2 384.249 2.388 20 0 GEADLO Cc1ccc(OCCC(=O)N[C@@H](CO)c2c[nH+]cn2C)c(Br)c1 ZINC000912613888 654761133 /nfs/dbraw/zinc/76/11/33/654761133.db2.gz HZRAICQTGCNHIA-ZDUSSCGKSA-N 1 2 382.258 2.110 20 0 GEADLO C[C@]1([C@@H]2CCC[N@@H+]([C@@H](C(N)=O)c3cccc(Br)c3)C2)COC(=O)N1 ZINC000932018624 654764209 /nfs/dbraw/zinc/76/42/09/654764209.db2.gz BAINLYXOZSXUHF-SUYBPPKGSA-N 1 2 396.285 2.186 20 0 GEADLO C[C@]1([C@@H]2CCC[N@H+]([C@@H](C(N)=O)c3cccc(Br)c3)C2)COC(=O)N1 ZINC000932018624 654764211 /nfs/dbraw/zinc/76/42/11/654764211.db2.gz BAINLYXOZSXUHF-SUYBPPKGSA-N 1 2 396.285 2.186 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cc2cc(Br)cnc2n1C)[NH+]1CCOCC1 ZINC000932054235 654764734 /nfs/dbraw/zinc/76/47/34/654764734.db2.gz IOZXJBZQGWEVHM-NWDGAFQWSA-N 1 2 395.301 2.175 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)[C@H](CO)C1 ZINC000912741549 654766201 /nfs/dbraw/zinc/76/62/01/654766201.db2.gz XERIILJLXVWGLZ-JTQLQIEISA-N 1 2 381.192 2.216 20 0 GEADLO C[N@H+]1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)[C@H](CO)C1 ZINC000912741549 654766203 /nfs/dbraw/zinc/76/62/03/654766203.db2.gz XERIILJLXVWGLZ-JTQLQIEISA-N 1 2 381.192 2.216 20 0 GEADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000932087724 654766560 /nfs/dbraw/zinc/76/65/60/654766560.db2.gz WNUGJOHHMSSUST-YPMHNXCESA-N 1 2 382.448 2.156 20 0 GEADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000932087724 654766561 /nfs/dbraw/zinc/76/65/61/654766561.db2.gz WNUGJOHHMSSUST-YPMHNXCESA-N 1 2 382.448 2.156 20 0 GEADLO O=C1CNC(=O)N1CC[N@@H+]1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC000932130038 654767884 /nfs/dbraw/zinc/76/78/84/654767884.db2.gz RCNSPUZFOFJLHB-UHFFFAOYSA-N 1 2 394.269 2.118 20 0 GEADLO O=C1CNC(=O)N1CC[N@H+]1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC000932130038 654767887 /nfs/dbraw/zinc/76/78/87/654767887.db2.gz RCNSPUZFOFJLHB-UHFFFAOYSA-N 1 2 394.269 2.118 20 0 GEADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000932669944 654785058 /nfs/dbraw/zinc/78/50/58/654785058.db2.gz ABZGDPZKGCDPFE-SNVBAGLBSA-N 1 2 379.404 2.130 20 0 GEADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000932669944 654785061 /nfs/dbraw/zinc/78/50/61/654785061.db2.gz ABZGDPZKGCDPFE-SNVBAGLBSA-N 1 2 379.404 2.130 20 0 GEADLO O[C@H](C[N@@H+]1CCc2cc(Br)c(F)cc2C1)CC1(O)CCOCC1 ZINC000932788935 654790517 /nfs/dbraw/zinc/79/05/17/654790517.db2.gz CXROAOAOILSOCX-AWEZNQCLSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@H](C[N@H+]1CCc2cc(Br)c(F)cc2C1)CC1(O)CCOCC1 ZINC000932788935 654790518 /nfs/dbraw/zinc/79/05/18/654790518.db2.gz CXROAOAOILSOCX-AWEZNQCLSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@@]1(c2ccc(Br)cc2)CCC[N@H+](Cc2nnc3n2CCOC3)C1 ZINC000932815028 654791812 /nfs/dbraw/zinc/79/18/12/654791812.db2.gz FXAQMZXOULWGRB-KRWDZBQOSA-N 1 2 393.285 2.054 20 0 GEADLO O[C@@]1(c2ccc(Br)cc2)CCC[N@@H+](Cc2nnc3n2CCOC3)C1 ZINC000932815028 654791816 /nfs/dbraw/zinc/79/18/16/654791816.db2.gz FXAQMZXOULWGRB-KRWDZBQOSA-N 1 2 393.285 2.054 20 0 GEADLO COCc1noc(C[N@@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)n1 ZINC000932814187 654791838 /nfs/dbraw/zinc/79/18/38/654791838.db2.gz CKRIFAPSLGAWDU-MRXNPFEDSA-N 1 2 382.258 2.462 20 0 GEADLO COCc1noc(C[N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)n1 ZINC000932814187 654791840 /nfs/dbraw/zinc/79/18/40/654791840.db2.gz CKRIFAPSLGAWDU-MRXNPFEDSA-N 1 2 382.258 2.462 20 0 GEADLO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913439686 654791937 /nfs/dbraw/zinc/79/19/37/654791937.db2.gz IKFIWOSKPAOFPM-LTIDMASMSA-N 1 2 387.281 2.231 20 0 GEADLO O=C(COc1ccc(Br)cc1Cl)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913441944 654792217 /nfs/dbraw/zinc/79/22/17/654792217.db2.gz VQKDTUCBEYVFIN-ZDUSSCGKSA-N 1 2 399.676 2.378 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3c(Cl)nc4cc(Cl)ccn43)CC[NH2+]2)cn1 ZINC000913455560 654792845 /nfs/dbraw/zinc/79/28/45/654792845.db2.gz BKEYKUWVZPPNDN-LBPRGKRZSA-N 1 2 379.251 2.161 20 0 GEADLO Cc1c(F)c(Br)ccc1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913456305 654793078 /nfs/dbraw/zinc/79/30/78/654793078.db2.gz IRMJTVQQKIGYGR-AWEZNQCLSA-N 1 2 381.249 2.417 20 0 GEADLO Cc1csc(SCc2ccc(C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)cc2)n1 ZINC000913556769 654797564 /nfs/dbraw/zinc/79/75/64/654797564.db2.gz JUFNUDNEWCOBFF-MRXNPFEDSA-N 1 2 377.535 2.492 20 0 GEADLO Cc1csc(SCc2ccc(C(=O)N3CC[N@H+](C)[C@@H](CO)C3)cc2)n1 ZINC000913556769 654797567 /nfs/dbraw/zinc/79/75/67/654797567.db2.gz JUFNUDNEWCOBFF-MRXNPFEDSA-N 1 2 377.535 2.492 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)NCCCn2cc[nH+]c2)c1F ZINC000913825347 654810993 /nfs/dbraw/zinc/81/09/93/654810993.db2.gz YNCYTJGNURVUEQ-UHFFFAOYSA-N 1 2 392.250 2.162 20 0 GEADLO O=S(=O)(c1ccnn1C1CCC1)N1CC[NH+](CCc2cccs2)CC1 ZINC000913963516 654818814 /nfs/dbraw/zinc/81/88/14/654818814.db2.gz CBEBODIZMVCXOY-UHFFFAOYSA-N 1 2 380.539 2.219 20 0 GEADLO FC(F)(F)c1ccnc([C@H]2CC[N@H+](CCn3cnc(Br)n3)C2)n1 ZINC000933717415 654821036 /nfs/dbraw/zinc/82/10/36/654821036.db2.gz XRSHJSYULGWVBI-VIFPVBQESA-N 1 2 391.195 2.339 20 0 GEADLO FC(F)(F)c1ccnc([C@H]2CC[N@@H+](CCn3cnc(Br)n3)C2)n1 ZINC000933717415 654821040 /nfs/dbraw/zinc/82/10/40/654821040.db2.gz XRSHJSYULGWVBI-VIFPVBQESA-N 1 2 391.195 2.339 20 0 GEADLO C[N@@H+]1CCC[C@H](CNS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000914081248 654825365 /nfs/dbraw/zinc/82/53/65/654825365.db2.gz SHAANDMMXUCMFZ-OIRASMEMSA-N 1 2 399.460 2.210 20 0 GEADLO C[N@H+]1CCC[C@H](CNS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000914081248 654825367 /nfs/dbraw/zinc/82/53/67/654825367.db2.gz SHAANDMMXUCMFZ-OIRASMEMSA-N 1 2 399.460 2.210 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000914082539 654825383 /nfs/dbraw/zinc/82/53/83/654825383.db2.gz GVKJTRVFLWBAEG-XJKSGUPXSA-N 1 2 397.317 2.411 20 0 GEADLO COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3ccc(Br)nc3N)C2)CCC1 ZINC000933836859 654828226 /nfs/dbraw/zinc/82/82/26/654828226.db2.gz XKRNKUBUOZKTTD-QGZVFWFLSA-N 1 2 398.301 2.097 20 0 GEADLO COC(=O)C1([C@@]2(O)CCC[N@@H+](Cc3ccc(Br)nc3N)C2)CCC1 ZINC000933836859 654828228 /nfs/dbraw/zinc/82/82/28/654828228.db2.gz XKRNKUBUOZKTTD-QGZVFWFLSA-N 1 2 398.301 2.097 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000914174629 654832253 /nfs/dbraw/zinc/83/22/53/654832253.db2.gz WBIYEERIBZDTAJ-ADAWSYLGSA-N 1 2 390.281 2.453 20 0 GEADLO O=S(=O)(Cc1cccc(F)c1Br)N[C@H]1CCc2[nH+]ccn2C1 ZINC000914304598 654843321 /nfs/dbraw/zinc/84/33/21/654843321.db2.gz CNGSXFXJTQXPSW-NSHDSACASA-N 1 2 388.262 2.219 20 0 GEADLO O=C(Nc1c(Br)cnn1C1CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000934373135 654847598 /nfs/dbraw/zinc/84/75/98/654847598.db2.gz FFVPIRRMYCCRAD-CYBMUJFWSA-N 1 2 398.305 2.309 20 0 GEADLO C[NH+](C)C1(CNS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)CCC1 ZINC000914413157 654852279 /nfs/dbraw/zinc/85/22/79/654852279.db2.gz OTQJPTBAYYKCJE-XMMPIXPASA-N 1 2 399.460 2.352 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(=O)[nH]cc1Br ZINC000934959231 654868326 /nfs/dbraw/zinc/86/83/26/654868326.db2.gz AZFBKELYDPGAGM-UHFFFAOYSA-N 1 2 393.241 2.342 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ncc(Br)cn1 ZINC000934959589 654868433 /nfs/dbraw/zinc/86/84/33/654868433.db2.gz HLEGNGVWEGRYJA-UHFFFAOYSA-N 1 2 378.230 2.031 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC[C@H]2c2cncc(Br)c2)CCO1 ZINC000915826954 654880125 /nfs/dbraw/zinc/88/01/25/654880125.db2.gz GBMPHBAQVYEFHU-CJNGLKHVSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@H]2c2cncc(Br)c2)CCO1 ZINC000915826954 654880129 /nfs/dbraw/zinc/88/01/29/654880129.db2.gz GBMPHBAQVYEFHU-CJNGLKHVSA-N 1 2 397.317 2.411 20 0 GEADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1Cc2ccc(Br)cc2C1 ZINC000935407504 654892208 /nfs/dbraw/zinc/89/22/08/654892208.db2.gz GOKOJRNNVIJQCH-SJORKVTESA-N 1 2 395.297 2.171 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000935488228 654896671 /nfs/dbraw/zinc/89/66/71/654896671.db2.gz LZMWFOAXCPHNGV-DGCLKSJQSA-N 1 2 389.253 2.203 20 0 GEADLO CC1(C)C[N@H+](CC=C(Cl)Cl)C[C@@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000974859409 654942569 /nfs/dbraw/zinc/94/25/69/654942569.db2.gz BQFQYFXFLYADSI-PWNZVWSESA-N 1 2 377.312 2.184 20 0 GEADLO CC1(C)C[N@@H+](CC=C(Cl)Cl)C[C@@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000974859409 654942576 /nfs/dbraw/zinc/94/25/76/654942576.db2.gz BQFQYFXFLYADSI-PWNZVWSESA-N 1 2 377.312 2.184 20 0 GEADLO Cc1nc(N2CCn3c(CN4CCOCC4)nnc3C2)cc(C2CCCCC2)[nH+]1 ZINC001164681031 719583764 /nfs/dbraw/zinc/58/37/64/719583764.db2.gz UENMUUYCHBBNMK-UHFFFAOYSA-N 1 2 397.527 2.277 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1Cl ZINC001164707250 719841469 /nfs/dbraw/zinc/84/14/69/719841469.db2.gz ZTFPKBLKLIJFCO-ZBEGNZNMSA-N 1 2 389.283 2.016 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2)nn1 ZINC001164696959 719844470 /nfs/dbraw/zinc/84/44/70/719844470.db2.gz BHKVYZNGDJNYQT-XMSQKQJNSA-N 1 2 396.491 2.376 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2cc(OC)ccc2cn1 ZINC001164705108 719862468 /nfs/dbraw/zinc/86/24/68/719862468.db2.gz SUTNJFRHCUONNR-XMSQKQJNSA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2cnccc2cc1C ZINC001164703056 719875056 /nfs/dbraw/zinc/87/50/56/719875056.db2.gz JSIDWIJILKQDRJ-UWJYYQICSA-N 1 2 384.480 2.171 20 0 GEADLO CCOC(=O)/C=C/c1cccnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009908 721695005 /nfs/dbraw/zinc/69/50/05/721695005.db2.gz RKDRIESXQXJYNL-MDZDMXLPSA-N 1 2 398.511 2.500 20 0 GEADLO CCOC(=O)/C=C/c1cccnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009908 721695010 /nfs/dbraw/zinc/69/50/10/721695010.db2.gz RKDRIESXQXJYNL-MDZDMXLPSA-N 1 2 398.511 2.500 20 0 GEADLO COC(=O)/C=C/c1cc(C)cnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008338 721709337 /nfs/dbraw/zinc/70/93/37/721709337.db2.gz FGUGPSFPFDKONA-BQYQJAHWSA-N 1 2 398.511 2.418 20 0 GEADLO COC(=O)/C=C/c1cc(C)cnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008338 721709347 /nfs/dbraw/zinc/70/93/47/721709347.db2.gz FGUGPSFPFDKONA-BQYQJAHWSA-N 1 2 398.511 2.418 20 0 GEADLO COc1nnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c2ccccc21 ZINC001165008165 721712583 /nfs/dbraw/zinc/71/25/83/721712583.db2.gz BTMDVFRLEBWFGU-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO COc1nnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c2ccccc21 ZINC001165008165 721712586 /nfs/dbraw/zinc/71/25/86/721712586.db2.gz BTMDVFRLEBWFGU-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(-c3ccccn3)ncn1)C2 ZINC001165009094 721715310 /nfs/dbraw/zinc/71/53/10/721715310.db2.gz PGRSZLPSYQUTAH-UHFFFAOYSA-N 1 2 378.484 2.381 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(-c3ccccn3)ncn1)C2 ZINC001165009094 721715318 /nfs/dbraw/zinc/71/53/18/721715318.db2.gz PGRSZLPSYQUTAH-UHFFFAOYSA-N 1 2 378.484 2.381 20 0 GEADLO c1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cnc2c1 ZINC001164911335 721770520 /nfs/dbraw/zinc/77/05/20/721770520.db2.gz GFNIUTFNLLRUEH-JOCHJYFZSA-N 1 2 391.475 2.133 20 0 GEADLO c1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cnc2c1 ZINC001164911335 721770534 /nfs/dbraw/zinc/77/05/34/721770534.db2.gz GFNIUTFNLLRUEH-JOCHJYFZSA-N 1 2 391.475 2.133 20 0 GEADLO Fc1ccc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910908 721774430 /nfs/dbraw/zinc/77/44/30/721774430.db2.gz CUFZTOZGCXVYAC-LJQANCHMSA-N 1 2 392.862 2.377 20 0 GEADLO Fc1ccc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910908 721774438 /nfs/dbraw/zinc/77/44/38/721774438.db2.gz CUFZTOZGCXVYAC-LJQANCHMSA-N 1 2 392.862 2.377 20 0 GEADLO CC(C)(C)c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912860 721778981 /nfs/dbraw/zinc/77/89/81/721778981.db2.gz QZNYQCFLCUPJBP-JOCHJYFZSA-N 1 2 397.523 2.277 20 0 GEADLO CC(C)(C)c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912860 721778984 /nfs/dbraw/zinc/77/89/84/721778984.db2.gz QZNYQCFLCUPJBP-JOCHJYFZSA-N 1 2 397.523 2.277 20 0 GEADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc5cccnc5n4)CCO3)C2)c1 ZINC001164917115 721780082 /nfs/dbraw/zinc/78/00/82/721780082.db2.gz WVOYCKIWBVDBFD-QFIPXVFZSA-N 1 2 391.475 2.133 20 0 GEADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc5cccnc5n4)CCO3)C2)c1 ZINC001164917115 721780087 /nfs/dbraw/zinc/78/00/87/721780087.db2.gz WVOYCKIWBVDBFD-QFIPXVFZSA-N 1 2 391.475 2.133 20 0 GEADLO CC(C)(C)c1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164913479 721794207 /nfs/dbraw/zinc/79/42/07/721794207.db2.gz DPGMDNQQNUHNDR-JOCHJYFZSA-N 1 2 397.523 2.277 20 0 GEADLO CC(C)(C)c1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164913479 721794210 /nfs/dbraw/zinc/79/42/10/721794210.db2.gz DPGMDNQQNUHNDR-JOCHJYFZSA-N 1 2 397.523 2.277 20 0 GEADLO CC(C)(C)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164915296 721794675 /nfs/dbraw/zinc/79/46/75/721794675.db2.gz VTLPSCCQTQNPTA-JOCHJYFZSA-N 1 2 397.523 2.277 20 0 GEADLO CC(C)(C)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164915296 721794676 /nfs/dbraw/zinc/79/46/76/721794676.db2.gz VTLPSCCQTQNPTA-JOCHJYFZSA-N 1 2 397.523 2.277 20 0 GEADLO CCCCc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164914635 721798464 /nfs/dbraw/zinc/79/84/64/721798464.db2.gz OOUTXIDLAWOOCO-QFIPXVFZSA-N 1 2 397.523 2.322 20 0 GEADLO CCCCc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164914635 721798466 /nfs/dbraw/zinc/79/84/66/721798466.db2.gz OOUTXIDLAWOOCO-QFIPXVFZSA-N 1 2 397.523 2.322 20 0 GEADLO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055104 722016730 /nfs/dbraw/zinc/01/67/30/722016730.db2.gz DBDLHEGDXDOALA-UHFFFAOYSA-N 1 2 395.841 2.139 20 0 GEADLO COc1ccc(C(=O)NC(=O)C[N@H+](C)Cc2cc(Br)cn2C)cc1 ZINC000151635995 531512595 /nfs/dbraw/zinc/51/25/95/531512595.db2.gz OIHQVOVYVSTCSI-UHFFFAOYSA-N 1 2 394.269 2.185 20 0 GEADLO COc1ccc(C(=O)NC(=O)C[N@@H+](C)Cc2cc(Br)cn2C)cc1 ZINC000151635995 531512602 /nfs/dbraw/zinc/51/26/02/531512602.db2.gz OIHQVOVYVSTCSI-UHFFFAOYSA-N 1 2 394.269 2.185 20 0 GEADLO Cc1cc(=O)n2nc(C[N@@H+](C)Cc3cc(Br)cn3C)sc2n1 ZINC000151474957 531504593 /nfs/dbraw/zinc/50/45/93/531504593.db2.gz XIPXREYLXWPAKE-UHFFFAOYSA-N 1 2 382.287 2.192 20 0 GEADLO Cc1cc(=O)n2nc(C[N@H+](C)Cc3cc(Br)cn3C)sc2n1 ZINC000151474957 531504604 /nfs/dbraw/zinc/50/46/04/531504604.db2.gz XIPXREYLXWPAKE-UHFFFAOYSA-N 1 2 382.287 2.192 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)C[C@@H]21 ZINC000152243321 531539588 /nfs/dbraw/zinc/53/95/88/531539588.db2.gz SSCNNZIXICPCKS-HOTGVXAUSA-N 1 2 381.263 2.334 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)C[C@@H]21 ZINC000152243321 531539596 /nfs/dbraw/zinc/53/95/96/531539596.db2.gz SSCNNZIXICPCKS-HOTGVXAUSA-N 1 2 381.263 2.334 20 0 GEADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1sccc1S(=O)(=O)C(F)F ZINC000152500183 531556857 /nfs/dbraw/zinc/55/68/57/531556857.db2.gz XTOJRJKTZWIDDM-JTQLQIEISA-N 1 2 387.433 2.148 20 0 GEADLO CNS(=O)(=O)CCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000152485104 531554495 /nfs/dbraw/zinc/55/44/95/531554495.db2.gz LPPOVQKKWLXOBF-WFASDCNBSA-N 1 2 391.331 2.150 20 0 GEADLO CNS(=O)(=O)CCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000152485104 531554503 /nfs/dbraw/zinc/55/45/03/531554503.db2.gz LPPOVQKKWLXOBF-WFASDCNBSA-N 1 2 391.331 2.150 20 0 GEADLO O=C(CSCC(F)(F)F)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000152816887 531572332 /nfs/dbraw/zinc/57/23/32/531572332.db2.gz SIBGEGGXOMPSDT-HNNXBMFYSA-N 1 2 376.444 2.342 20 0 GEADLO Cc1nc(S(=O)(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cn1C ZINC000153420868 531598079 /nfs/dbraw/zinc/59/80/79/531598079.db2.gz GASWNSXQVOPSAA-INIZCTEOSA-N 1 2 382.917 2.497 20 0 GEADLO O=C(C[N@@H+]1CC[C@]2(CCOC2)C1)Nc1ccccc1I ZINC000153745460 531607040 /nfs/dbraw/zinc/60/70/40/531607040.db2.gz RNLAWLKEMCOAAM-HNNXBMFYSA-N 1 2 386.233 2.342 20 0 GEADLO O=C(C[N@H+]1CC[C@]2(CCOC2)C1)Nc1ccccc1I ZINC000153745460 531607049 /nfs/dbraw/zinc/60/70/49/531607049.db2.gz RNLAWLKEMCOAAM-HNNXBMFYSA-N 1 2 386.233 2.342 20 0 GEADLO Cn1ncc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c(Cl)c1=O ZINC000026082033 531617123 /nfs/dbraw/zinc/61/71/23/531617123.db2.gz FDFPTCVJRCLSMB-UHFFFAOYSA-N 1 2 383.279 2.288 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000027204434 531623278 /nfs/dbraw/zinc/62/32/78/531623278.db2.gz GTJARQDSWRZKOX-LBPRGKRZSA-N 1 2 387.311 2.026 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000028041045 531629006 /nfs/dbraw/zinc/62/90/06/531629006.db2.gz AALYHBXUGUSEEA-UHFFFAOYSA-N 1 2 381.479 2.008 20 0 GEADLO NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000030202153 531633750 /nfs/dbraw/zinc/63/37/50/531633750.db2.gz QZISTHCVQZWDGT-INIZCTEOSA-N 1 2 375.270 2.193 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000030132022 531633795 /nfs/dbraw/zinc/63/37/95/531633795.db2.gz OOILWHYQVXPLIJ-ZDUSSCGKSA-N 1 2 387.933 2.461 20 0 GEADLO C[C@H](CNC(=O)[C@@H](C)Cc1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000154764687 531631895 /nfs/dbraw/zinc/63/18/95/531631895.db2.gz IVCGESYRNOBOQT-LSDHHAIUSA-N 1 2 382.346 2.380 20 0 GEADLO O=C(NCCSc1ccccc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031167230 531643118 /nfs/dbraw/zinc/64/31/18/531643118.db2.gz FBAXCESGSCZXBS-SFHVURJKSA-N 1 2 381.567 2.286 20 0 GEADLO Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000032411161 531652198 /nfs/dbraw/zinc/65/21/98/531652198.db2.gz VPUPFBRTOZLMQQ-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO O=C(NCc1ccc(Cl)s1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000041409894 531663322 /nfs/dbraw/zinc/66/33/22/531663322.db2.gz NMCLFTNZXCDKFO-HNNXBMFYSA-N 1 2 375.947 2.409 20 0 GEADLO O=C(CSc1ccc(F)c(F)c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000041409154 531663772 /nfs/dbraw/zinc/66/37/72/531663772.db2.gz FMCQVTBVCZEAGM-QGZVFWFLSA-N 1 2 388.505 2.381 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000044790502 531687472 /nfs/dbraw/zinc/68/74/72/531687472.db2.gz VZMASJKCFMTNTL-UHFFFAOYSA-N 1 2 379.825 2.253 20 0 GEADLO CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000046253915 531699284 /nfs/dbraw/zinc/69/92/84/531699284.db2.gz QJLVTZQPPQRCIK-CVEARBPZSA-N 1 2 387.571 2.350 20 0 GEADLO C[C@@H](CNC(=O)c1c[nH]c2cccc(Br)c12)[NH+]1CCN(C)CC1 ZINC000155884074 531704931 /nfs/dbraw/zinc/70/49/31/531704931.db2.gz ZUCPWJBPISXISN-LBPRGKRZSA-N 1 2 379.302 2.296 20 0 GEADLO CCS[C@@H]1CCC[C@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000156294369 531726584 /nfs/dbraw/zinc/72/65/84/531726584.db2.gz WHRAEBOOMSDDFN-HZPDHXFCSA-N 1 2 384.567 2.426 20 0 GEADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000157004041 531730042 /nfs/dbraw/zinc/73/00/42/531730042.db2.gz ZHNYOOARLTVDHH-OCCSQVGLSA-N 1 2 375.296 2.124 20 0 GEADLO C[C@@H](O)C[C@H]1COCC[N@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000157004041 531730053 /nfs/dbraw/zinc/73/00/53/531730053.db2.gz ZHNYOOARLTVDHH-OCCSQVGLSA-N 1 2 375.296 2.124 20 0 GEADLO COc1ccc(Br)c(CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000156077165 531712679 /nfs/dbraw/zinc/71/26/79/531712679.db2.gz VSZKVKNUSIDZNS-UHFFFAOYSA-N 1 2 385.302 2.227 20 0 GEADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2csc(Br)c2)CC1 ZINC000047854089 531722359 /nfs/dbraw/zinc/72/23/59/531722359.db2.gz XIAKGUWRZJGTNC-UHFFFAOYSA-N 1 2 388.331 2.183 20 0 GEADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2csc(Br)c2)CC1 ZINC000047854089 531722367 /nfs/dbraw/zinc/72/23/67/531722367.db2.gz XIAKGUWRZJGTNC-UHFFFAOYSA-N 1 2 388.331 2.183 20 0 GEADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)Cc1cc(Br)cs1 ZINC000052848009 531749828 /nfs/dbraw/zinc/74/98/28/531749828.db2.gz NRMBXYHGYRSKMR-JTQLQIEISA-N 1 2 388.331 2.068 20 0 GEADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052848009 531749836 /nfs/dbraw/zinc/74/98/36/531749836.db2.gz NRMBXYHGYRSKMR-JTQLQIEISA-N 1 2 388.331 2.068 20 0 GEADLO CN(C)c1[nH+]cccc1CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000052992930 531754320 /nfs/dbraw/zinc/75/43/20/531754320.db2.gz JZTRRACJTVFDIA-UHFFFAOYSA-N 1 2 397.298 2.018 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000053217632 531758059 /nfs/dbraw/zinc/75/80/59/531758059.db2.gz JFRLHMQYIHYINL-CYBMUJFWSA-N 1 2 391.896 2.211 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000053217632 531758065 /nfs/dbraw/zinc/75/80/65/531758065.db2.gz JFRLHMQYIHYINL-CYBMUJFWSA-N 1 2 391.896 2.211 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(Cc2cc(Br)ccc2OC)CC1 ZINC000053431962 531764400 /nfs/dbraw/zinc/76/44/00/531764400.db2.gz IVGBTVGDDXTBBM-UHFFFAOYSA-N 1 2 398.345 2.444 20 0 GEADLO CC(C)(CNC(=O)CCOc1ccccc1Br)[NH+]1CCOCC1 ZINC000054971925 531780601 /nfs/dbraw/zinc/78/06/01/531780601.db2.gz OWWBIXDFHVVIQT-UHFFFAOYSA-N 1 2 385.302 2.445 20 0 GEADLO CC(C)(C)CC(=O)NCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000054139202 531773772 /nfs/dbraw/zinc/77/37/72/531773772.db2.gz ASAQPJFSRIYOGU-UHFFFAOYSA-N 1 2 381.274 2.265 20 0 GEADLO Cc1noc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000054211562 531776362 /nfs/dbraw/zinc/77/63/62/531776362.db2.gz PQYIYWLMEHJYBT-NSHDSACASA-N 1 2 380.246 2.386 20 0 GEADLO Cc1noc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000054211562 531776370 /nfs/dbraw/zinc/77/63/70/531776370.db2.gz PQYIYWLMEHJYBT-NSHDSACASA-N 1 2 380.246 2.386 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000054372754 531777174 /nfs/dbraw/zinc/77/71/74/531777174.db2.gz VZVFRLYORQNHNN-GFCCVEGCSA-N 1 2 384.293 2.373 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000055242055 531785719 /nfs/dbraw/zinc/78/57/19/531785719.db2.gz SZNJAVNQCZEWKA-LBPRGKRZSA-N 1 2 382.917 2.107 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000055242055 531785745 /nfs/dbraw/zinc/78/57/45/531785745.db2.gz SZNJAVNQCZEWKA-LBPRGKRZSA-N 1 2 382.917 2.107 20 0 GEADLO O=C(CCCOc1ccc(I)cc1)NCCn1cc[nH+]c1 ZINC000055249571 531785929 /nfs/dbraw/zinc/78/59/29/531785929.db2.gz LTLWUJMKQTXWQO-UHFFFAOYSA-N 1 2 399.232 2.463 20 0 GEADLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000055290564 531787010 /nfs/dbraw/zinc/78/70/10/531787010.db2.gz WATPRZADOBZQRX-STQMWFEESA-N 1 2 380.432 2.483 20 0 GEADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccccc2C(F)(F)F)C[C@@H](C)O1 ZINC000055290581 531788034 /nfs/dbraw/zinc/78/80/34/531788034.db2.gz RSPIYAQMGHRUGR-CHWSQXEVSA-N 1 2 380.432 2.483 20 0 GEADLO Cc1sc(=O)n(CC(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1C ZINC000055320803 531789396 /nfs/dbraw/zinc/78/93/96/531789396.db2.gz PPXDDSMXRNFPKE-UHFFFAOYSA-N 1 2 395.282 2.253 20 0 GEADLO Cc1cc(S(=O)(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c(C)s1 ZINC000056064794 531803627 /nfs/dbraw/zinc/80/36/27/531803627.db2.gz KCARETPSDONOOW-LBPRGKRZSA-N 1 2 381.523 2.464 20 0 GEADLO C[C@H](NC(=O)NCCn1cc[nH+]c1)c1cc2c(cc1Br)OCCO2 ZINC000056991747 531817066 /nfs/dbraw/zinc/81/70/66/531817066.db2.gz YKIGIUXMTLQUHL-NSHDSACASA-N 1 2 395.257 2.477 20 0 GEADLO CCOC(=O)CCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000057643222 531820341 /nfs/dbraw/zinc/82/03/41/531820341.db2.gz CNLCCIQHQUAVSU-UHFFFAOYSA-N 1 2 392.880 2.129 20 0 GEADLO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC000058923582 531839720 /nfs/dbraw/zinc/83/97/20/531839720.db2.gz VGYDKEOBCJNSIY-ZDUSSCGKSA-N 1 2 385.555 2.091 20 0 GEADLO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[NH+]1CCSCC1 ZINC000061283455 531850522 /nfs/dbraw/zinc/85/05/22/531850522.db2.gz DSSRULMDFMGXAL-UHFFFAOYSA-N 1 2 375.416 2.151 20 0 GEADLO C[C@@H](CCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[S@](C)=O ZINC000163851192 531865848 /nfs/dbraw/zinc/86/58/48/531865848.db2.gz RVNMQFSIWYZJKO-MLMJSJRWSA-N 1 2 387.303 2.053 20 0 GEADLO O=C1[C@@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)CCN1C1CC1 ZINC000163627456 531862867 /nfs/dbraw/zinc/86/28/67/531862867.db2.gz HZDKQCVXYRJAQD-KRWDZBQOSA-N 1 2 378.314 2.330 20 0 GEADLO O=S(=O)(Cc1ccccc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000064931502 531871791 /nfs/dbraw/zinc/87/17/91/531871791.db2.gz AMPQFLOBXMOLNZ-UHFFFAOYSA-N 1 2 380.432 2.103 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CC[N@@H+]1CCOC ZINC000166044003 531875270 /nfs/dbraw/zinc/87/52/70/531875270.db2.gz PVAJORWRMAPFNX-GFCCVEGCSA-N 1 2 380.432 2.225 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CC[N@H+]1CCOC ZINC000166044003 531875274 /nfs/dbraw/zinc/87/52/74/531875274.db2.gz PVAJORWRMAPFNX-GFCCVEGCSA-N 1 2 380.432 2.225 20 0 GEADLO CCn1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000167927222 531880282 /nfs/dbraw/zinc/88/02/82/531880282.db2.gz FUNMECSRDDEPKO-JKSUJKDBSA-N 1 2 386.880 2.419 20 0 GEADLO CCn1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000167927222 531880293 /nfs/dbraw/zinc/88/02/93/531880293.db2.gz FUNMECSRDDEPKO-JKSUJKDBSA-N 1 2 386.880 2.419 20 0 GEADLO NS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000170914783 531894597 /nfs/dbraw/zinc/89/45/97/531894597.db2.gz ZBGDSSUMJSEZJV-AWEZNQCLSA-N 1 2 394.324 2.465 20 0 GEADLO NS(=O)(=O)CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000170914783 531894599 /nfs/dbraw/zinc/89/45/99/531894599.db2.gz ZBGDSSUMJSEZJV-AWEZNQCLSA-N 1 2 394.324 2.465 20 0 GEADLO COc1ccc([C@H](C)NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1Br ZINC000170920207 531894709 /nfs/dbraw/zinc/89/47/09/531894709.db2.gz JRFDQTVRJNTYBK-AAEUAGOBSA-N 1 2 386.290 2.149 20 0 GEADLO COc1ccc([C@H](C)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1Br ZINC000170920207 531894715 /nfs/dbraw/zinc/89/47/15/531894715.db2.gz JRFDQTVRJNTYBK-AAEUAGOBSA-N 1 2 386.290 2.149 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000170741661 531889936 /nfs/dbraw/zinc/88/99/36/531889936.db2.gz YPNRUTHHAUVILH-UHFFFAOYSA-N 1 2 390.311 2.220 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069868414 531912570 /nfs/dbraw/zinc/91/25/70/531912570.db2.gz LKQIMPVUFHKUFF-CYBMUJFWSA-N 1 2 376.881 2.212 20 0 GEADLO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171807043 531919156 /nfs/dbraw/zinc/91/91/56/531919156.db2.gz CWHOJHFKVAVKKA-GFCCVEGCSA-N 1 2 381.274 2.166 20 0 GEADLO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171807043 531919160 /nfs/dbraw/zinc/91/91/60/531919160.db2.gz CWHOJHFKVAVKKA-GFCCVEGCSA-N 1 2 381.274 2.166 20 0 GEADLO CC(C)(CNC(=O)c1[nH]nc2ccc(Br)cc21)[NH+]1CCOCC1 ZINC000171770810 531915934 /nfs/dbraw/zinc/91/59/34/531915934.db2.gz PZIAKDCCVZMZLK-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000626208088 531928710 /nfs/dbraw/zinc/92/87/10/531928710.db2.gz UCILPKUPQCQQRY-ZDUSSCGKSA-N 1 2 379.511 2.283 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000626208088 531928716 /nfs/dbraw/zinc/92/87/16/531928716.db2.gz UCILPKUPQCQQRY-ZDUSSCGKSA-N 1 2 379.511 2.283 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000626509536 531934022 /nfs/dbraw/zinc/93/40/22/531934022.db2.gz OGWYNQFDENTSJD-VIFPVBQESA-N 1 2 385.852 2.450 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000626509536 531934024 /nfs/dbraw/zinc/93/40/24/531934024.db2.gz OGWYNQFDENTSJD-VIFPVBQESA-N 1 2 385.852 2.450 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000109198356 531942838 /nfs/dbraw/zinc/94/28/38/531942838.db2.gz AYXUWJAHTOXCMC-ZDUSSCGKSA-N 1 2 387.933 2.331 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCCc2ccc(Br)cc2)CCO1 ZINC000172333573 531948457 /nfs/dbraw/zinc/94/84/57/531948457.db2.gz LDUFPQIZOKFIIM-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCCc2ccc(Br)cc2)CCO1 ZINC000172333573 531948462 /nfs/dbraw/zinc/94/84/62/531948462.db2.gz LDUFPQIZOKFIIM-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO Cc1ccc(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c(C[NH+](C)C)c1 ZINC000114054165 531955006 /nfs/dbraw/zinc/95/50/06/531955006.db2.gz NCEMOGXXFHAMGR-UHFFFAOYSA-N 1 2 382.507 2.261 20 0 GEADLO CCO[C@@H](C)c1nc(CN2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)cs1 ZINC000119443308 531968718 /nfs/dbraw/zinc/96/87/18/531968718.db2.gz PVYMINXAAJEJBJ-GJZGRUSLSA-N 1 2 389.587 2.039 20 0 GEADLO O=C1OCC[C@H]1CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000120347157 531982511 /nfs/dbraw/zinc/98/25/11/531982511.db2.gz HEANRUBINSBFKT-GFCCVEGCSA-N 1 2 392.930 2.051 20 0 GEADLO O=C1OCC[C@H]1CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000120347157 531982518 /nfs/dbraw/zinc/98/25/18/531982518.db2.gz HEANRUBINSBFKT-GFCCVEGCSA-N 1 2 392.930 2.051 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173540814 532017782 /nfs/dbraw/zinc/01/77/82/532017782.db2.gz GTTXCLNGPBGDJA-CQSZACIVSA-N 1 2 393.336 2.477 20 0 GEADLO Cc1[nH]cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(=O)c1Br ZINC000121403468 532026454 /nfs/dbraw/zinc/02/64/54/532026454.db2.gz GYLVFCXAMFGVBF-CYBMUJFWSA-N 1 2 398.301 2.185 20 0 GEADLO Cc1c[nH+]ccc1NC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000121418448 532028777 /nfs/dbraw/zinc/02/87/77/532028777.db2.gz GHOPPKAGGNQVQX-UHFFFAOYSA-N 1 2 380.392 2.073 20 0 GEADLO CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000121423398 532028973 /nfs/dbraw/zinc/02/89/73/532028973.db2.gz VJONUAMLJREWOG-AWEZNQCLSA-N 1 2 382.511 2.066 20 0 GEADLO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)C(C)C)c2)CC1 ZINC000121503577 532031608 /nfs/dbraw/zinc/03/16/08/532031608.db2.gz TUTDFIUAMHUDJX-UHFFFAOYSA-N 1 2 387.933 2.147 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000121589018 532035924 /nfs/dbraw/zinc/03/59/24/532035924.db2.gz VRJAKJDBCDIIPE-BBRMVZONSA-N 1 2 383.286 2.463 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000121589018 532035931 /nfs/dbraw/zinc/03/59/31/532035931.db2.gz VRJAKJDBCDIIPE-BBRMVZONSA-N 1 2 383.286 2.463 20 0 GEADLO COCC[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000121620067 532038279 /nfs/dbraw/zinc/03/82/79/532038279.db2.gz DXHVCZKDPBZBRS-DOMZBBRYSA-N 1 2 382.309 2.162 20 0 GEADLO COCC[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000121620067 532038288 /nfs/dbraw/zinc/03/82/88/532038288.db2.gz DXHVCZKDPBZBRS-DOMZBBRYSA-N 1 2 382.309 2.162 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173894702 532040177 /nfs/dbraw/zinc/04/01/77/532040177.db2.gz KWEFIBFEWDGBHY-ZDUSSCGKSA-N 1 2 376.881 2.355 20 0 GEADLO Brc1ccc(-c2nnc(CN3CCC[C@H]3C[NH+]3CCOCC3)o2)o1 ZINC000174014403 532045084 /nfs/dbraw/zinc/04/50/84/532045084.db2.gz SIXFXXNXLRPXMA-LBPRGKRZSA-N 1 2 397.273 2.389 20 0 GEADLO C[N@H+](CCc1cccs1)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000174155944 532054387 /nfs/dbraw/zinc/05/43/87/532054387.db2.gz NPMYHWVGSUSXBE-INIZCTEOSA-N 1 2 384.567 2.181 20 0 GEADLO C[N@@H+](CCc1cccs1)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000174155944 532054392 /nfs/dbraw/zinc/05/43/92/532054392.db2.gz NPMYHWVGSUSXBE-INIZCTEOSA-N 1 2 384.567 2.181 20 0 GEADLO CC(C)OC(=O)[C@H](C)C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000174281155 532059972 /nfs/dbraw/zinc/05/99/72/532059972.db2.gz MHEIREJRDZYXBY-NOZJJQNGSA-N 1 2 375.238 2.292 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc(Br)cc(Cl)c1O ZINC000174337384 532061963 /nfs/dbraw/zinc/06/19/63/532061963.db2.gz UIPZMYTXHZJODC-LLVKDONJSA-N 1 2 389.677 2.401 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc(Br)cc(Cl)c1O ZINC000174337384 532061966 /nfs/dbraw/zinc/06/19/66/532061966.db2.gz UIPZMYTXHZJODC-LLVKDONJSA-N 1 2 389.677 2.401 20 0 GEADLO O=C(NCc1cccc(Br)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174426775 532064732 /nfs/dbraw/zinc/06/47/32/532064732.db2.gz WQDWWGJVGBOWEW-MRXNPFEDSA-N 1 2 382.302 2.455 20 0 GEADLO CC(C)N1CC[C@@H]([NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)C1=O ZINC000175154573 532091883 /nfs/dbraw/zinc/09/18/83/532091883.db2.gz DWKVVYDJNIZGSZ-MRXNPFEDSA-N 1 2 394.313 2.216 20 0 GEADLO O=C(NCc1nc(C(F)(F)F)cs1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000175223415 532093982 /nfs/dbraw/zinc/09/39/82/532093982.db2.gz WEEAQJBRJHFBDG-NSHDSACASA-N 1 2 378.420 2.168 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000175264268 532096672 /nfs/dbraw/zinc/09/66/72/532096672.db2.gz AEAISHQAIBKMGO-SNVBAGLBSA-N 1 2 375.252 2.408 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+](CCC2OCCO2)CC1 ZINC000123605901 532103785 /nfs/dbraw/zinc/10/37/85/532103785.db2.gz IDQSNGHMIRXKOK-UHFFFAOYSA-N 1 2 395.308 2.063 20 0 GEADLO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000175500288 532105127 /nfs/dbraw/zinc/10/51/27/532105127.db2.gz SFXZASCTDYATDC-GFCCVEGCSA-N 1 2 379.511 2.001 20 0 GEADLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000175500288 532105130 /nfs/dbraw/zinc/10/51/30/532105130.db2.gz SFXZASCTDYATDC-GFCCVEGCSA-N 1 2 379.511 2.001 20 0 GEADLO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000123774666 532107484 /nfs/dbraw/zinc/10/74/84/532107484.db2.gz OGIVMAOSTDDAAQ-GFCCVEGCSA-N 1 2 386.901 2.183 20 0 GEADLO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000123774666 532107487 /nfs/dbraw/zinc/10/74/87/532107487.db2.gz OGIVMAOSTDDAAQ-GFCCVEGCSA-N 1 2 386.901 2.183 20 0 GEADLO C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000175618653 532109169 /nfs/dbraw/zinc/10/91/69/532109169.db2.gz OCUMQHGKAFBEEJ-TZMCWYRMSA-N 1 2 390.311 2.389 20 0 GEADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000175885674 532118772 /nfs/dbraw/zinc/11/87/72/532118772.db2.gz APELAACYSWRZCH-GMXVVIOVSA-N 1 2 385.295 2.269 20 0 GEADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCN2C(=O)NC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000175885674 532118777 /nfs/dbraw/zinc/11/87/77/532118777.db2.gz APELAACYSWRZCH-GMXVVIOVSA-N 1 2 385.295 2.269 20 0 GEADLO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000124553975 532123845 /nfs/dbraw/zinc/12/38/45/532123845.db2.gz XNXPQNYBBWECQA-STQMWFEESA-N 1 2 386.309 2.271 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000125104641 532132929 /nfs/dbraw/zinc/13/29/29/532132929.db2.gz ATVYNSCBWBKNBG-KRWDZBQOSA-N 1 2 394.313 2.277 20 0 GEADLO C[C@@H](NC(=O)N(C)Cc1cc(Br)cn1C)[C@@H](C)[NH+]1CCOCC1 ZINC000125270574 532134246 /nfs/dbraw/zinc/13/42/46/532134246.db2.gz HMWTTXXAMCHKJZ-CHWSQXEVSA-N 1 2 387.322 2.038 20 0 GEADLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)Cc2ccc(F)cc2F)C[C@@H](C)O1 ZINC000127070800 532153194 /nfs/dbraw/zinc/15/31/94/532153194.db2.gz MMELJYZURBDBLL-CHWSQXEVSA-N 1 2 376.469 2.272 20 0 GEADLO O=C(Nc1ccccc1Br)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127437658 532153653 /nfs/dbraw/zinc/15/36/53/532153653.db2.gz UTLJHOVEXUJLGC-UHFFFAOYSA-N 1 2 389.253 2.131 20 0 GEADLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000125912946 532143939 /nfs/dbraw/zinc/14/39/39/532143939.db2.gz MGYIZOKKPQJIKA-USOBGDSLSA-N 1 2 376.404 2.219 20 0 GEADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000125912946 532143943 /nfs/dbraw/zinc/14/39/43/532143943.db2.gz MGYIZOKKPQJIKA-USOBGDSLSA-N 1 2 376.404 2.219 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)Cn3c(C)c(C)sc3=O)CC2)s1 ZINC000128696829 532166440 /nfs/dbraw/zinc/16/64/40/532166440.db2.gz ABBSMEGGACGUKF-UHFFFAOYSA-N 1 2 379.551 2.495 20 0 GEADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000128711536 532166957 /nfs/dbraw/zinc/16/69/57/532166957.db2.gz OOIDOMCJHMZBOK-LLVKDONJSA-N 1 2 384.307 2.464 20 0 GEADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000128711536 532166964 /nfs/dbraw/zinc/16/69/64/532166964.db2.gz OOIDOMCJHMZBOK-LLVKDONJSA-N 1 2 384.307 2.464 20 0 GEADLO C[C@]([NH2+]CC(=O)N1CCc2sccc2C1)(C(N)=O)c1cccc(Cl)c1 ZINC000177389578 532170364 /nfs/dbraw/zinc/17/03/64/532170364.db2.gz IFQWAVZIBOZSSV-GOSISDBHSA-N 1 2 377.897 2.277 20 0 GEADLO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CS(N)(=O)=O)CC2)c(Cl)c1 ZINC000129773531 532184233 /nfs/dbraw/zinc/18/42/33/532184233.db2.gz ZRVTZTXFXHYURR-CYBMUJFWSA-N 1 2 387.933 2.284 20 0 GEADLO COc1ccc(Br)c(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000129842086 532185256 /nfs/dbraw/zinc/18/52/56/532185256.db2.gz WKIAROLXMMIECS-UHFFFAOYSA-N 1 2 395.257 2.141 20 0 GEADLO C[C@H](CNC(=O)Cc1cc2c(cc1Br)OCCO2)Cn1cc[nH+]c1 ZINC000131200460 532194856 /nfs/dbraw/zinc/19/48/56/532194856.db2.gz MPWXFQCBUAYMPC-GFCCVEGCSA-N 1 2 394.269 2.412 20 0 GEADLO CNC(=O)[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C(C)C ZINC000178587714 532205765 /nfs/dbraw/zinc/20/57/65/532205765.db2.gz SDBRRGHQBNZJQP-JKSUJKDBSA-N 1 2 396.329 2.473 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000178685602 532210051 /nfs/dbraw/zinc/21/00/51/532210051.db2.gz MLVLHXZJBVZJAU-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000178685168 532210076 /nfs/dbraw/zinc/21/00/76/532210076.db2.gz HZOCXTUYMYUSTF-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178735290 532211157 /nfs/dbraw/zinc/21/11/57/532211157.db2.gz IUHDVTSVJVVOQE-WBVHZDCISA-N 1 2 380.330 2.134 20 0 GEADLO CN(C(=O)[C@H]1CCCn2cc[nH+]c21)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000178757015 532212367 /nfs/dbraw/zinc/21/23/67/532212367.db2.gz HEQYHCRAIQSOOS-GXTWGEPZSA-N 1 2 379.869 2.401 20 0 GEADLO C[C@H](C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[NH+]1CCSCC1 ZINC000132366217 532213760 /nfs/dbraw/zinc/21/37/60/532213760.db2.gz SQOOAGPHPOQTIA-UKRRQHHQSA-N 1 2 381.929 2.389 20 0 GEADLO Brc1cc(C[NH+]2CCN(c3cnccn3)CC2)cc2c1OCCO2 ZINC000179410034 532230372 /nfs/dbraw/zinc/23/03/72/532230372.db2.gz RHNYBIHPNZFPJZ-UHFFFAOYSA-N 1 2 391.269 2.333 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000179448220 532231280 /nfs/dbraw/zinc/23/12/80/532231280.db2.gz OBEPUVNLRAGJFR-INIZCTEOSA-N 1 2 381.523 2.332 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000179448220 532231286 /nfs/dbraw/zinc/23/12/86/532231286.db2.gz OBEPUVNLRAGJFR-INIZCTEOSA-N 1 2 381.523 2.332 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000179448870 532231761 /nfs/dbraw/zinc/23/17/61/532231761.db2.gz ZQSABZUEGZJBQL-LBPRGKRZSA-N 1 2 382.507 2.202 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000179448870 532231766 /nfs/dbraw/zinc/23/17/66/532231766.db2.gz ZQSABZUEGZJBQL-LBPRGKRZSA-N 1 2 382.507 2.202 20 0 GEADLO Cc1cc(Br)ccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000133350763 532232888 /nfs/dbraw/zinc/23/28/88/532232888.db2.gz YPPGTPSFAOLIQL-LBPRGKRZSA-N 1 2 391.331 2.004 20 0 GEADLO O=C(NCCNC(=O)C1CC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000133425107 532234929 /nfs/dbraw/zinc/23/49/29/532234929.db2.gz DDVFESFNRCJLDO-INIZCTEOSA-N 1 2 394.313 2.228 20 0 GEADLO C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1CO ZINC000132818710 532221893 /nfs/dbraw/zinc/22/18/93/532221893.db2.gz FGEWYKRJWVZCLY-IUODEOHRSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1CO ZINC000132818710 532221897 /nfs/dbraw/zinc/22/18/97/532221897.db2.gz FGEWYKRJWVZCLY-IUODEOHRSA-N 1 2 376.316 2.316 20 0 GEADLO CC[C@@](C)([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C(N)=O ZINC000133843626 532243881 /nfs/dbraw/zinc/24/38/81/532243881.db2.gz DGOFMQZQPJGNNU-CYBMUJFWSA-N 1 2 376.770 2.078 20 0 GEADLO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Cl)cc(Br)c1O ZINC000133851388 532243993 /nfs/dbraw/zinc/24/39/93/532243993.db2.gz PLCAPMABIJUQIY-UHFFFAOYSA-N 1 2 391.693 2.385 20 0 GEADLO CN(CC(=O)NC1CC1)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000133963459 532246454 /nfs/dbraw/zinc/24/64/54/532246454.db2.gz ZLVSXKGDHVSTRL-KRWDZBQOSA-N 1 2 394.313 2.323 20 0 GEADLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000179842510 532246950 /nfs/dbraw/zinc/24/69/50/532246950.db2.gz SYNRYWGHRRVXMQ-UHFFFAOYSA-N 1 2 383.279 2.238 20 0 GEADLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000133477694 532236827 /nfs/dbraw/zinc/23/68/27/532236827.db2.gz LPVYCAOMICPHEB-ZDUSSCGKSA-N 1 2 384.318 2.254 20 0 GEADLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000133477694 532236830 /nfs/dbraw/zinc/23/68/30/532236830.db2.gz LPVYCAOMICPHEB-ZDUSSCGKSA-N 1 2 384.318 2.254 20 0 GEADLO CC(C)[C@H](CNC(=O)c1ccc(Br)c(O)c1)[NH+]1CCN(C)CC1 ZINC000133543927 532237689 /nfs/dbraw/zinc/23/76/89/532237689.db2.gz RVDIGERWYBGMOC-HNNXBMFYSA-N 1 2 384.318 2.157 20 0 GEADLO CC(C)[C@H](CNC(=O)c1ccc(Br)c(O)c1)N1CC[NH+](C)CC1 ZINC000133543927 532237692 /nfs/dbraw/zinc/23/76/92/532237692.db2.gz RVDIGERWYBGMOC-HNNXBMFYSA-N 1 2 384.318 2.157 20 0 GEADLO O=C(c1ccc(Br)c(O)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000133548651 532237726 /nfs/dbraw/zinc/23/77/26/532237726.db2.gz XCMCWBYCYVFASX-AWEZNQCLSA-N 1 2 383.286 2.482 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(F)c(Cl)nc2Cl)[C@H](C)C1 ZINC000180386017 532270477 /nfs/dbraw/zinc/27/04/77/532270477.db2.gz BCPBBEDCVRQWPR-SECBINFHSA-N 1 2 378.231 2.237 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(F)c(Cl)nc2Cl)[C@H](C)C1 ZINC000180386017 532270480 /nfs/dbraw/zinc/27/04/80/532270480.db2.gz BCPBBEDCVRQWPR-SECBINFHSA-N 1 2 378.231 2.237 20 0 GEADLO FC(F)(F)Cn1c(SCCCn2cc[nH+]c2)nnc1N1CCOCC1 ZINC000180436177 532271834 /nfs/dbraw/zinc/27/18/34/532271834.db2.gz ZPWMLJYDWAZYGT-UHFFFAOYSA-N 1 2 376.408 2.056 20 0 GEADLO CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCCCn1cc[nH+]c1 ZINC000180432082 532271913 /nfs/dbraw/zinc/27/19/13/532271913.db2.gz YXGXNHDNJWULHM-UHFFFAOYSA-N 1 2 379.511 2.473 20 0 GEADLO COC(=O)[C@@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000135380109 532272159 /nfs/dbraw/zinc/27/21/59/532272159.db2.gz RUHYEPAIESSUFR-ABAIWWIYSA-N 1 2 399.285 2.022 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cc(Cl)c1O)[C@@H]1C[N@H+](C)CCO1 ZINC000134983620 532264486 /nfs/dbraw/zinc/26/44/86/532264486.db2.gz PABJHEPAJXQXLB-PELKAZGASA-N 1 2 377.666 2.257 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cc(Cl)c1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000134983620 532264489 /nfs/dbraw/zinc/26/44/89/532264489.db2.gz PABJHEPAJXQXLB-PELKAZGASA-N 1 2 377.666 2.257 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)ccc1Br ZINC000180347900 532267857 /nfs/dbraw/zinc/26/78/57/532267857.db2.gz XMMMKLVLRUHLOM-ZDUSSCGKSA-N 1 2 399.310 2.287 20 0 GEADLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccccc1Br ZINC000180602287 532275890 /nfs/dbraw/zinc/27/58/90/532275890.db2.gz KBMGEYODGPNGAR-HNNXBMFYSA-N 1 2 384.318 2.431 20 0 GEADLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1ccccc1Br ZINC000180602287 532275893 /nfs/dbraw/zinc/27/58/93/532275893.db2.gz KBMGEYODGPNGAR-HNNXBMFYSA-N 1 2 384.318 2.431 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(C)c1C ZINC000135729128 532278474 /nfs/dbraw/zinc/27/84/74/532278474.db2.gz VWBLNVFFTKJKAB-OAHLLOKOSA-N 1 2 385.555 2.112 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(C)c1C ZINC000135729128 532278477 /nfs/dbraw/zinc/27/84/77/532278477.db2.gz VWBLNVFFTKJKAB-OAHLLOKOSA-N 1 2 385.555 2.112 20 0 GEADLO CNC(=O)[C@H](C)CN(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000136324913 532283766 /nfs/dbraw/zinc/28/37/66/532283766.db2.gz RVXMSYXTVTYRQN-CZUORRHYSA-N 1 2 396.329 2.427 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000137018158 532288330 /nfs/dbraw/zinc/28/83/30/532288330.db2.gz SKPFPJIMNPKNEW-WFASDCNBSA-N 1 2 379.309 2.183 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000137018158 532288334 /nfs/dbraw/zinc/28/83/34/532288334.db2.gz SKPFPJIMNPKNEW-WFASDCNBSA-N 1 2 379.309 2.183 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)cc1Br)NCCn1cc[nH+]c1 ZINC000180541330 532274244 /nfs/dbraw/zinc/27/42/44/532274244.db2.gz HJPHISZGVQPSEE-UHFFFAOYSA-N 1 2 378.679 2.419 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)ccc1Br ZINC000138982619 532292157 /nfs/dbraw/zinc/29/21/57/532292157.db2.gz SNACAOCETWMWKI-AWEZNQCLSA-N 1 2 395.301 2.186 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)ccc1Br ZINC000138982619 532292158 /nfs/dbraw/zinc/29/21/58/532292158.db2.gz SNACAOCETWMWKI-AWEZNQCLSA-N 1 2 395.301 2.186 20 0 GEADLO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ncc(Br)s1 ZINC000181178710 532292622 /nfs/dbraw/zinc/29/26/22/532292622.db2.gz VEKBZLLVTHKUAD-UWVGGRQHSA-N 1 2 384.303 2.485 20 0 GEADLO CC(C)(C)n1ncc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(Cl)c1=O ZINC000142644321 532296132 /nfs/dbraw/zinc/29/61/32/532296132.db2.gz ROSDUMTYQOGZQR-QGZVFWFLSA-N 1 2 386.949 2.272 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000181517352 532300133 /nfs/dbraw/zinc/30/01/33/532300133.db2.gz IFBKAPMDYAIKKG-NSHDSACASA-N 1 2 395.308 2.251 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000181517352 532300135 /nfs/dbraw/zinc/30/01/35/532300135.db2.gz IFBKAPMDYAIKKG-NSHDSACASA-N 1 2 395.308 2.251 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000181518367 532300167 /nfs/dbraw/zinc/30/01/67/532300167.db2.gz SONFBEDTMXDXBJ-NSHDSACASA-N 1 2 395.308 2.251 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000181518367 532300168 /nfs/dbraw/zinc/30/01/68/532300168.db2.gz SONFBEDTMXDXBJ-NSHDSACASA-N 1 2 395.308 2.251 20 0 GEADLO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)Cc2c(Cl)cccc2Cl)cn1 ZINC000181694493 532305319 /nfs/dbraw/zinc/30/53/19/532305319.db2.gz SNVUMTWGAUKLLI-OAHLLOKOSA-N 1 2 389.308 2.203 20 0 GEADLO O=S1(=O)CCN(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000181743030 532306216 /nfs/dbraw/zinc/30/62/16/532306216.db2.gz MUOXJYLNXGROFJ-UHFFFAOYSA-N 1 2 376.444 2.400 20 0 GEADLO COc1cc(Br)ccc1CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000182068489 532309097 /nfs/dbraw/zinc/30/90/97/532309097.db2.gz DBMJMHKBCHATMV-CYBMUJFWSA-N 1 2 396.329 2.242 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCNc1cccc(Br)c1 ZINC000182685084 532316537 /nfs/dbraw/zinc/31/65/37/532316537.db2.gz FVFOAXZVIFSLIH-UHFFFAOYSA-N 1 2 399.333 2.271 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCNc1cccc(Br)c1 ZINC000182685084 532316538 /nfs/dbraw/zinc/31/65/38/532316538.db2.gz FVFOAXZVIFSLIH-UHFFFAOYSA-N 1 2 399.333 2.271 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)cnc1Br ZINC000182816297 532318178 /nfs/dbraw/zinc/31/81/78/532318178.db2.gz GKBBDHPXOKRHSQ-UHFFFAOYSA-N 1 2 392.257 2.151 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)c(C)o1 ZINC000183118404 532321771 /nfs/dbraw/zinc/32/17/71/532321771.db2.gz VWXIRSVEJVNBRN-UHFFFAOYSA-N 1 2 384.420 2.172 20 0 GEADLO Nc1cc(Br)ccc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000185247373 532337402 /nfs/dbraw/zinc/33/74/02/532337402.db2.gz XVHJPHXNQFTFAO-UHFFFAOYSA-N 1 2 391.269 2.193 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC[N@@H+]1CCO ZINC000187261823 532343845 /nfs/dbraw/zinc/34/38/45/532343845.db2.gz YUSGWUKNMKZLRW-GFCCVEGCSA-N 1 2 383.279 2.318 20 0 GEADLO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000186844193 532342224 /nfs/dbraw/zinc/34/22/24/532342224.db2.gz XNMIWCUUJQOICA-DOMZBBRYSA-N 1 2 379.507 2.277 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)c1ccsc1 ZINC000186928300 532342659 /nfs/dbraw/zinc/34/26/59/532342659.db2.gz CDIJCGPHXSWWGL-HOTGVXAUSA-N 1 2 384.567 2.462 20 0 GEADLO [NH3+]CC(F)(F)CNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000186993760 532342983 /nfs/dbraw/zinc/34/29/83/532342983.db2.gz ACJRTXHUKCWNLE-UHFFFAOYSA-N 1 2 397.163 2.340 20 0 GEADLO CC(C)[C@@H]([NH2+]Cc1cncc(Br)c1)c1nc(-c2nc[nH]n2)no1 ZINC000183751488 532328912 /nfs/dbraw/zinc/32/89/12/532328912.db2.gz FZBZZJTYKVHQDO-LLVKDONJSA-N 1 2 378.234 2.499 20 0 GEADLO CC1([C@H]2CCC[N@@H+]([C@H](C(N)=O)c3cccc(Br)c3)C2)OCCO1 ZINC000183877998 532329654 /nfs/dbraw/zinc/32/96/54/532329654.db2.gz TVMGGNMNGPPCDK-ZFWWWQNUSA-N 1 2 383.286 2.451 20 0 GEADLO CC1([C@H]2CCC[N@H+]([C@H](C(N)=O)c3cccc(Br)c3)C2)OCCO1 ZINC000183877998 532329655 /nfs/dbraw/zinc/32/96/55/532329655.db2.gz TVMGGNMNGPPCDK-ZFWWWQNUSA-N 1 2 383.286 2.451 20 0 GEADLO Cn1cc(N2CC[NH+](C[C@H](O)c3ccc(F)c(Br)c3)CC2)cn1 ZINC000185016669 532336512 /nfs/dbraw/zinc/33/65/12/532336512.db2.gz HIHAWAZCXLNMOR-INIZCTEOSA-N 1 2 383.265 2.177 20 0 GEADLO Cc1ccc(Br)nc1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000187942095 532346158 /nfs/dbraw/zinc/34/61/58/532346158.db2.gz UEODBCKNXMNXHX-CQSZACIVSA-N 1 2 382.302 2.479 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1Br ZINC000188082119 532346491 /nfs/dbraw/zinc/34/64/91/532346491.db2.gz JIROMXQRLIDPDF-UHFFFAOYSA-N 1 2 380.286 2.311 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000188138979 532346871 /nfs/dbraw/zinc/34/68/71/532346871.db2.gz SRKRLSXRCRGZGQ-JQWIXIFHSA-N 1 2 386.290 2.000 20 0 GEADLO CCOc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1Br ZINC000188336550 532347751 /nfs/dbraw/zinc/34/77/51/532347751.db2.gz GTFMKTVTUKBVCQ-UHFFFAOYSA-N 1 2 395.257 2.189 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1cccc(Br)n1 ZINC000188570815 532348667 /nfs/dbraw/zinc/34/86/67/532348667.db2.gz QFYLOXMEYNNVAP-UHFFFAOYSA-N 1 2 392.257 2.397 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000188807803 532349661 /nfs/dbraw/zinc/34/96/61/532349661.db2.gz BXUTWWQJHQKIGY-GFCCVEGCSA-N 1 2 388.917 2.008 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000188807803 532349662 /nfs/dbraw/zinc/34/96/62/532349662.db2.gz BXUTWWQJHQKIGY-GFCCVEGCSA-N 1 2 388.917 2.008 20 0 GEADLO COc1cc(Br)c(CNC(=O)CCc2c[nH+]cn2C)cc1OC ZINC000188870279 532349857 /nfs/dbraw/zinc/34/98/57/532349857.db2.gz PNMXESYUYIZECO-UHFFFAOYSA-N 1 2 382.258 2.449 20 0 GEADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC[N@@H+]1CCO ZINC000190052481 532354706 /nfs/dbraw/zinc/35/47/06/532354706.db2.gz WUEGNGXYPLMWSJ-VIFPVBQESA-N 1 2 394.686 2.110 20 0 GEADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC[N@H+]1CCO ZINC000190052481 532354707 /nfs/dbraw/zinc/35/47/07/532354707.db2.gz WUEGNGXYPLMWSJ-VIFPVBQESA-N 1 2 394.686 2.110 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000190391695 532355927 /nfs/dbraw/zinc/35/59/27/532355927.db2.gz NXAZLWPVGUNLKV-NOZJJQNGSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000190391695 532355928 /nfs/dbraw/zinc/35/59/28/532355928.db2.gz NXAZLWPVGUNLKV-NOZJJQNGSA-N 1 2 375.252 2.421 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000190431120 532356010 /nfs/dbraw/zinc/35/60/10/532356010.db2.gz MASUOUYTVYRCNQ-CYBMUJFWSA-N 1 2 387.889 2.319 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190449177 532356136 /nfs/dbraw/zinc/35/61/36/532356136.db2.gz XVUWAFMZISWJJX-UHFFFAOYSA-N 1 2 392.258 2.298 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190449177 532356137 /nfs/dbraw/zinc/35/61/37/532356137.db2.gz XVUWAFMZISWJJX-UHFFFAOYSA-N 1 2 392.258 2.298 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(F)cc(F)c1Br ZINC000190667152 532357377 /nfs/dbraw/zinc/35/73/77/532357377.db2.gz KPEYLHRXVVABNE-SNVBAGLBSA-N 1 2 391.260 2.485 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC[N@H+]1CCO ZINC000187261823 532343846 /nfs/dbraw/zinc/34/38/46/532343846.db2.gz YUSGWUKNMKZLRW-GFCCVEGCSA-N 1 2 383.279 2.318 20 0 GEADLO O=C(CCC(=O)c1ccc(I)cc1)NCCn1cc[nH+]c1 ZINC000515815377 532372830 /nfs/dbraw/zinc/37/28/30/532372830.db2.gz JEBZOILTNYZGDI-UHFFFAOYSA-N 1 2 397.216 2.267 20 0 GEADLO CCOC(=O)C1([S@@](C)=O)CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000294681457 532375363 /nfs/dbraw/zinc/37/53/63/532375363.db2.gz BQJVWHWWRFXHCY-RUZDIDTESA-N 1 2 383.901 2.264 20 0 GEADLO COCCn1cc(C[N@H+](C)[C@@H](CO)c2cc(OC)ccc2Br)cn1 ZINC000294687768 532375765 /nfs/dbraw/zinc/37/57/65/532375765.db2.gz AIQZRLGTPKMTCC-KRWDZBQOSA-N 1 2 398.301 2.466 20 0 GEADLO COCCn1cc(C[N@@H+](C)[C@@H](CO)c2cc(OC)ccc2Br)cn1 ZINC000294687768 532375767 /nfs/dbraw/zinc/37/57/67/532375767.db2.gz AIQZRLGTPKMTCC-KRWDZBQOSA-N 1 2 398.301 2.466 20 0 GEADLO O=C(NCc1ccc(Br)c(F)c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557358098 532363343 /nfs/dbraw/zinc/36/33/43/532363343.db2.gz CTOOLTOXYIDTBN-UHFFFAOYSA-N 1 2 391.200 2.491 20 0 GEADLO COC[C@]1(CNC(=O)c2cc(Cl)cc(Br)c2O)CCC[NH2+]1 ZINC000647042006 532364914 /nfs/dbraw/zinc/36/49/14/532364914.db2.gz DHNDZDBITORTLQ-CQSZACIVSA-N 1 2 377.666 2.307 20 0 GEADLO Cc1cc(C[NH+]2CCN(c3ccc(I)cn3)CC2)on1 ZINC000294537897 532366016 /nfs/dbraw/zinc/36/60/16/532366016.db2.gz VUTOCEVXDVACJE-UHFFFAOYSA-N 1 2 384.221 2.305 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C[C@H]1C ZINC000677151767 532366264 /nfs/dbraw/zinc/36/62/64/532366264.db2.gz IJGQNZVIGIKYGF-SECBINFHSA-N 1 2 395.859 2.291 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C[C@H]1C ZINC000677151767 532366272 /nfs/dbraw/zinc/36/62/72/532366272.db2.gz IJGQNZVIGIKYGF-SECBINFHSA-N 1 2 395.859 2.291 20 0 GEADLO O=C1C[C@@H](c2nc(-c3ccc(Cl)s3)no2)CN1CC[NH+]1CCOCC1 ZINC000277939543 532366896 /nfs/dbraw/zinc/36/68/96/532366896.db2.gz PJAURPYSNQUCBV-LLVKDONJSA-N 1 2 382.873 2.100 20 0 GEADLO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)c1ncc(Br)cn1 ZINC000647119418 532366911 /nfs/dbraw/zinc/36/69/11/532366911.db2.gz SYVLFJYGUSQEMI-SWLSCSKDSA-N 1 2 390.285 2.476 20 0 GEADLO C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)c1ncc(Br)cn1 ZINC000647119418 532366916 /nfs/dbraw/zinc/36/69/16/532366916.db2.gz SYVLFJYGUSQEMI-SWLSCSKDSA-N 1 2 390.285 2.476 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cncc(C(F)(F)F)c2)C1)C1CC1 ZINC000463207642 532368590 /nfs/dbraw/zinc/36/85/90/532368590.db2.gz BTCRXVYIHNJJCU-LBPRGKRZSA-N 1 2 377.432 2.394 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cncc(C(F)(F)F)c2)C1)C1CC1 ZINC000463207642 532368598 /nfs/dbraw/zinc/36/85/98/532368598.db2.gz BTCRXVYIHNJJCU-LBPRGKRZSA-N 1 2 377.432 2.394 20 0 GEADLO CS(=O)(=O)NCC[N@H+](Cc1nc2ccc(Br)cc2o1)C1CC1 ZINC000463201416 532369238 /nfs/dbraw/zinc/36/92/38/532369238.db2.gz FESMIZGYKFWXLC-UHFFFAOYSA-N 1 2 388.287 2.104 20 0 GEADLO CS(=O)(=O)NCC[N@@H+](Cc1nc2ccc(Br)cc2o1)C1CC1 ZINC000463201416 532369240 /nfs/dbraw/zinc/36/92/40/532369240.db2.gz FESMIZGYKFWXLC-UHFFFAOYSA-N 1 2 388.287 2.104 20 0 GEADLO COc1ccc(Cl)cc1CS(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000590399975 532371876 /nfs/dbraw/zinc/37/18/76/532371876.db2.gz KGDYGDDZQZSEPD-INIZCTEOSA-N 1 2 390.933 2.125 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000590636120 532379147 /nfs/dbraw/zinc/37/91/47/532379147.db2.gz HANXJBVSCDALQC-BLLLJJGKSA-N 1 2 381.885 2.104 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000278428646 532379591 /nfs/dbraw/zinc/37/95/91/532379591.db2.gz JQMLCCIRMAZGKA-ZDUSSCGKSA-N 1 2 378.274 2.261 20 0 GEADLO Cc1sc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1CS(C)(=O)=O ZINC000558025138 532380414 /nfs/dbraw/zinc/38/04/14/532380414.db2.gz NYDCOCFYYYVBOK-HEHGZKQESA-N 1 2 384.567 2.403 20 0 GEADLO Cc1sc(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1CS(C)(=O)=O ZINC000558025138 532380421 /nfs/dbraw/zinc/38/04/21/532380421.db2.gz NYDCOCFYYYVBOK-HEHGZKQESA-N 1 2 384.567 2.403 20 0 GEADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H](C(F)F)C2)ccc1Cl ZINC000677735701 532382082 /nfs/dbraw/zinc/38/20/82/532382082.db2.gz UNMGPHHETNNFNO-JTQLQIEISA-N 1 2 395.859 2.116 20 0 GEADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@H](C(F)F)C2)ccc1Cl ZINC000677735701 532382086 /nfs/dbraw/zinc/38/20/86/532382086.db2.gz UNMGPHHETNNFNO-JTQLQIEISA-N 1 2 395.859 2.116 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)CC1(OC)CCCC1)[NH+]1CCOCC1 ZINC000647895557 532382524 /nfs/dbraw/zinc/38/25/24/532382524.db2.gz YWWDESIYHVOXGN-QGZVFWFLSA-N 1 2 376.563 2.002 20 0 GEADLO CC(=O)N1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192060003 532382665 /nfs/dbraw/zinc/38/26/65/532382665.db2.gz OKPOOSQLSLTOEU-MRXNPFEDSA-N 1 2 380.286 2.109 20 0 GEADLO CC(=O)N1CCC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192060003 532382675 /nfs/dbraw/zinc/38/26/75/532382675.db2.gz OKPOOSQLSLTOEU-MRXNPFEDSA-N 1 2 380.286 2.109 20 0 GEADLO CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192063058 532382807 /nfs/dbraw/zinc/38/28/07/532382807.db2.gz XSHUKQLPYJJLTD-GOEBONIOSA-N 1 2 380.286 2.155 20 0 GEADLO O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC(C[NH+]2CCOCC2)C1 ZINC000647887977 532382839 /nfs/dbraw/zinc/38/28/39/532382839.db2.gz XOGFUNLJUYJQQT-UHFFFAOYSA-N 1 2 398.834 2.312 20 0 GEADLO CC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192063058 532382812 /nfs/dbraw/zinc/38/28/12/532382812.db2.gz XSHUKQLPYJJLTD-GOEBONIOSA-N 1 2 380.286 2.155 20 0 GEADLO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192063050 532382922 /nfs/dbraw/zinc/38/29/22/532382922.db2.gz XSHUKQLPYJJLTD-GDBMZVCRSA-N 1 2 380.286 2.155 20 0 GEADLO CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192063050 532382928 /nfs/dbraw/zinc/38/29/28/532382928.db2.gz XSHUKQLPYJJLTD-GDBMZVCRSA-N 1 2 380.286 2.155 20 0 GEADLO O=C(c1ccncc1I)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000372312968 532383133 /nfs/dbraw/zinc/38/31/33/532383133.db2.gz GCBGVTAQNHUXSQ-UHFFFAOYSA-N 1 2 382.205 2.429 20 0 GEADLO O=C(c1ccncc1I)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372312968 532383139 /nfs/dbraw/zinc/38/31/39/532383139.db2.gz GCBGVTAQNHUXSQ-UHFFFAOYSA-N 1 2 382.205 2.429 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)c(C)s2)C1 ZINC000425312080 532383536 /nfs/dbraw/zinc/38/35/36/532383536.db2.gz JDLQASBUSLEOCG-LLVKDONJSA-N 1 2 389.315 2.434 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(Br)c(C)s2)C1 ZINC000425312080 532383543 /nfs/dbraw/zinc/38/35/43/532383543.db2.gz JDLQASBUSLEOCG-LLVKDONJSA-N 1 2 389.315 2.434 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)s1 ZINC000425412239 532385046 /nfs/dbraw/zinc/38/50/46/532385046.db2.gz FFIFNOPJINCDLA-UHFFFAOYSA-N 1 2 381.523 2.437 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)s1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590816063 532387225 /nfs/dbraw/zinc/38/72/25/532387225.db2.gz GBAZCDXVZZLRJS-NSHDSACASA-N 1 2 397.298 2.301 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C(N)=O)c1cccc(Br)c1 ZINC000372358440 532387278 /nfs/dbraw/zinc/38/72/78/532387278.db2.gz IRJBEHFAPCDARG-ZACQAIPSSA-N 1 2 394.313 2.451 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C(N)=O)c1cccc(Br)c1 ZINC000372358440 532387287 /nfs/dbraw/zinc/38/72/87/532387287.db2.gz IRJBEHFAPCDARG-ZACQAIPSSA-N 1 2 394.313 2.451 20 0 GEADLO CCS(=O)(=O)N1CC[N@H+](Cc2ccc(OC(F)F)c(OC)c2)[C@H](C)C1 ZINC000558131165 532387452 /nfs/dbraw/zinc/38/74/52/532387452.db2.gz JRGCDHLHGRWRSU-GFCCVEGCSA-N 1 2 378.441 2.152 20 0 GEADLO CCS(=O)(=O)N1CC[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)[C@H](C)C1 ZINC000558131165 532387457 /nfs/dbraw/zinc/38/74/57/532387457.db2.gz JRGCDHLHGRWRSU-GFCCVEGCSA-N 1 2 378.441 2.152 20 0 GEADLO C[C@@H](NC(=O)Nc1cnc2c(Br)cccn12)[C@H](C)[NH+]1CCOCC1 ZINC000425674702 532388059 /nfs/dbraw/zinc/38/80/59/532388059.db2.gz PRTHEMQUHZRVFX-NEPJUHHUSA-N 1 2 396.289 2.328 20 0 GEADLO C[C@@H](NC(=O)Nc1cnc2c(Br)cccn12)[C@@H](C)[NH+]1CCOCC1 ZINC000425674709 532388190 /nfs/dbraw/zinc/38/81/90/532388190.db2.gz PRTHEMQUHZRVFX-VXGBXAGGSA-N 1 2 396.289 2.328 20 0 GEADLO C[C@H]1C[C@@H]([NH2+]Cc2ncc(Br)cc2F)C(=O)N1c1cnn(C)c1 ZINC000623436520 532389370 /nfs/dbraw/zinc/38/93/70/532389370.db2.gz VTGVYPRDZJJHCR-TVQRCGJNSA-N 1 2 382.237 2.000 20 0 GEADLO CSc1ccc([C@H](CNC(=O)C[C@@H]2CCCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC000294891996 532389339 /nfs/dbraw/zinc/38/93/39/532389339.db2.gz PKMZMHQZGJAPGZ-YOEHRIQHSA-N 1 2 384.567 2.342 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000372405312 532390071 /nfs/dbraw/zinc/39/00/71/532390071.db2.gz TWYFVGOVMLSHIQ-AWEZNQCLSA-N 1 2 385.921 2.179 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000372405312 532390074 /nfs/dbraw/zinc/39/00/74/532390074.db2.gz TWYFVGOVMLSHIQ-AWEZNQCLSA-N 1 2 385.921 2.179 20 0 GEADLO CSCCNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000590859753 532390500 /nfs/dbraw/zinc/39/05/00/532390500.db2.gz WCDWBLXFGNXEAK-UHFFFAOYSA-N 1 2 375.292 2.165 20 0 GEADLO Cn1ncc(Br)c1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000294924796 532390676 /nfs/dbraw/zinc/39/06/76/532390676.db2.gz UCNZZZZSCDCPMF-UHFFFAOYSA-N 1 2 378.274 2.498 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678267745 532390999 /nfs/dbraw/zinc/39/09/99/532390999.db2.gz JXSCSAPYSRQJNM-INIZCTEOSA-N 1 2 382.917 2.098 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678267745 532391008 /nfs/dbraw/zinc/39/10/08/532391008.db2.gz JXSCSAPYSRQJNM-INIZCTEOSA-N 1 2 382.917 2.098 20 0 GEADLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)C[C@@H]3CSCCS3)CC2)no1 ZINC000372534029 532395740 /nfs/dbraw/zinc/39/57/40/532395740.db2.gz UZFUBLKFROIDMQ-LSDHHAIUSA-N 1 2 384.571 2.430 20 0 GEADLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)C[C@@H]3CSCCS3)CC2)no1 ZINC000372534029 532395749 /nfs/dbraw/zinc/39/57/49/532395749.db2.gz UZFUBLKFROIDMQ-LSDHHAIUSA-N 1 2 384.571 2.430 20 0 GEADLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)C[C@H]3CSCCS3)CC2)no1 ZINC000372534027 532394924 /nfs/dbraw/zinc/39/49/24/532394924.db2.gz UZFUBLKFROIDMQ-GJZGRUSLSA-N 1 2 384.571 2.430 20 0 GEADLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)C[C@H]3CSCCS3)CC2)no1 ZINC000372534027 532394933 /nfs/dbraw/zinc/39/49/33/532394933.db2.gz UZFUBLKFROIDMQ-GJZGRUSLSA-N 1 2 384.571 2.430 20 0 GEADLO COCC[C@@H]1COCCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000464242536 532395011 /nfs/dbraw/zinc/39/50/11/532395011.db2.gz LJVQNUHUOCZHGQ-CQSZACIVSA-N 1 2 397.273 2.044 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccoc3Cl)cc2)CC1 ZINC000192260674 532398481 /nfs/dbraw/zinc/39/84/81/532398481.db2.gz JHPGTZWVMVRPJM-UHFFFAOYSA-N 1 2 383.857 2.121 20 0 GEADLO O=C(CCOc1ccccc1I)NCCCn1cc[nH+]c1 ZINC000279710806 532398722 /nfs/dbraw/zinc/39/87/22/532398722.db2.gz KTKUPICSJDTEHW-UHFFFAOYSA-N 1 2 399.232 2.463 20 0 GEADLO Cc1nc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)sc1Br ZINC000678486023 532396685 /nfs/dbraw/zinc/39/66/85/532396685.db2.gz FKAXOWKLYPHMEL-JTQLQIEISA-N 1 2 391.316 2.436 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000591136347 532399774 /nfs/dbraw/zinc/39/97/74/532399774.db2.gz TWLIPXJVBHGKJY-UHFFFAOYSA-N 1 2 388.295 2.043 20 0 GEADLO Cc1nc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)sc1SCC(N)=O ZINC000624578692 532400092 /nfs/dbraw/zinc/40/00/92/532400092.db2.gz NTZOHHCXJKGVOR-UHFFFAOYSA-N 1 2 375.479 2.166 20 0 GEADLO O=C1CCCN1C[C@H](O)C[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464596401 532400839 /nfs/dbraw/zinc/40/08/39/532400839.db2.gz YBMIRYCSVJCMFK-LLVKDONJSA-N 1 2 387.705 2.444 20 0 GEADLO O=C1CCCN1C[C@H](O)C[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464596401 532400842 /nfs/dbraw/zinc/40/08/42/532400842.db2.gz YBMIRYCSVJCMFK-LLVKDONJSA-N 1 2 387.705 2.444 20 0 GEADLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000678829746 532402969 /nfs/dbraw/zinc/40/29/69/532402969.db2.gz BKAONYKBVHNYCY-UHFFFAOYSA-N 1 2 397.488 2.420 20 0 GEADLO O=C1C[C@]2(CN1)CCC[N@@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)C2 ZINC000464798739 532404315 /nfs/dbraw/zinc/40/43/15/532404315.db2.gz KJLYNZSNNUTVNX-INIZCTEOSA-N 1 2 391.320 2.369 20 0 GEADLO O=C1C[C@]2(CN1)CCC[N@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)C2 ZINC000464798739 532404320 /nfs/dbraw/zinc/40/43/20/532404320.db2.gz KJLYNZSNNUTVNX-INIZCTEOSA-N 1 2 391.320 2.369 20 0 GEADLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CC[S@@](=O)c2ccccc2)cc1 ZINC000464797645 532404929 /nfs/dbraw/zinc/40/49/29/532404929.db2.gz ZZSPGYMQUMWLRD-XMMPIXPASA-N 1 2 380.535 2.013 20 0 GEADLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)CC[S@@](=O)c2ccccc2)cc1 ZINC000464797645 532404935 /nfs/dbraw/zinc/40/49/35/532404935.db2.gz ZZSPGYMQUMWLRD-XMMPIXPASA-N 1 2 380.535 2.013 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCOc1ccccc1I ZINC000426399941 532406850 /nfs/dbraw/zinc/40/68/50/532406850.db2.gz FGUFIJBFCFKLKH-UHFFFAOYSA-N 1 2 385.205 2.442 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000192731143 532407242 /nfs/dbraw/zinc/40/72/42/532407242.db2.gz VVNFPOSEXVNUOJ-AWEZNQCLSA-N 1 2 376.881 2.106 20 0 GEADLO O=C(NCC[NH+]1CCCC1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000192745788 532407810 /nfs/dbraw/zinc/40/78/10/532407810.db2.gz RMTHJYUUWZQTLW-UHFFFAOYSA-N 1 2 379.507 2.375 20 0 GEADLO CC[NH+]1CCN(CC(=O)Nc2c(O)cc(Br)cc2Cl)CC1 ZINC000648902416 532408135 /nfs/dbraw/zinc/40/81/35/532408135.db2.gz CIVANLUSVHOZMF-UHFFFAOYSA-N 1 2 376.682 2.384 20 0 GEADLO CN(C(=O)C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000464990146 532409008 /nfs/dbraw/zinc/40/90/08/532409008.db2.gz YTUDKVBBGMUFIX-MRXNPFEDSA-N 1 2 382.302 2.356 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000427048297 532409094 /nfs/dbraw/zinc/40/90/94/532409094.db2.gz CYIQJEFIWCNFIA-LBPRGKRZSA-N 1 2 391.269 2.332 20 0 GEADLO CC[C@@H](C(=O)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)[NH+](C)C ZINC000372862612 532414138 /nfs/dbraw/zinc/41/41/38/532414138.db2.gz PDRHTUHXKYGCDZ-STQMWFEESA-N 1 2 389.315 2.124 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427121368 532413381 /nfs/dbraw/zinc/41/33/81/532413381.db2.gz XRHFQNLBKIVNQM-MRVPVSSYSA-N 1 2 387.184 2.067 20 0 GEADLO Cc1cc(CNC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)[nH]n1 ZINC000680385829 532413463 /nfs/dbraw/zinc/41/34/63/532413463.db2.gz BQRQUAHBDUOEBL-UHFFFAOYSA-N 1 2 391.273 2.479 20 0 GEADLO Cc1cc(CNC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)n[nH]1 ZINC000680385829 532413467 /nfs/dbraw/zinc/41/34/67/532413467.db2.gz BQRQUAHBDUOEBL-UHFFFAOYSA-N 1 2 391.273 2.479 20 0 GEADLO COc1cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(Br)cc1O ZINC000649195874 532415761 /nfs/dbraw/zinc/41/57/61/532415761.db2.gz XKURNYRVLZSYGT-SNVBAGLBSA-N 1 2 380.242 2.239 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccccc1Br)[C@H]1CCn2cc[nH+]c2C1 ZINC000372873643 532416068 /nfs/dbraw/zinc/41/60/68/532416068.db2.gz QFYKYAILFVXRCF-ZFWWWQNUSA-N 1 2 392.297 2.175 20 0 GEADLO Cc1ccc(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)cc1Br ZINC000295191397 532416261 /nfs/dbraw/zinc/41/62/61/532416261.db2.gz LCSUUVSBCWVQHH-UHFFFAOYSA-N 1 2 387.303 2.316 20 0 GEADLO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000372934375 532421000 /nfs/dbraw/zinc/42/10/00/532421000.db2.gz LWTGKJYVZZBPAY-CABCVRRESA-N 1 2 392.297 2.175 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)co1 ZINC000649662626 532421091 /nfs/dbraw/zinc/42/10/91/532421091.db2.gz KWMYZXMBGWABPG-UHFFFAOYSA-N 1 2 380.491 2.484 20 0 GEADLO O=S(=O)(CC[NH+]1CCC(C2(O)CC2)CC1)c1ccc(Br)cc1 ZINC000649676132 532421592 /nfs/dbraw/zinc/42/15/92/532421592.db2.gz VVIVEUKUFOKOES-UHFFFAOYSA-N 1 2 388.327 2.460 20 0 GEADLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2cncc(Br)c2)CC1(C)C ZINC000295251133 532426139 /nfs/dbraw/zinc/42/61/39/532426139.db2.gz KMZLTFRMDOCETA-GFCCVEGCSA-N 1 2 385.287 2.349 20 0 GEADLO Cc1cnc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(I)c1 ZINC000591820857 532425074 /nfs/dbraw/zinc/42/50/74/532425074.db2.gz JTPDDFSZHSFWLK-KGLIPLIRSA-N 1 2 387.265 2.030 20 0 GEADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(CCO)Cc1cc(Br)cs1 ZINC000427543467 532425697 /nfs/dbraw/zinc/42/56/97/532425697.db2.gz MIILKIXNQVEIAL-NSHDSACASA-N 1 2 384.299 2.291 20 0 GEADLO COc1ccnc(CNC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)n1 ZINC000517734626 532425950 /nfs/dbraw/zinc/42/59/50/532425950.db2.gz UDSNADVLVJGKEI-UHFFFAOYSA-N 1 2 381.234 2.030 20 0 GEADLO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000427622346 532428579 /nfs/dbraw/zinc/42/85/79/532428579.db2.gz RAUVXSZMOQLTQN-WFASDCNBSA-N 1 2 379.507 2.277 20 0 GEADLO Clc1cnc(Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)s1 ZINC000681359422 532427612 /nfs/dbraw/zinc/42/76/12/532427612.db2.gz AIXHITQGAIJZSY-ZDUSSCGKSA-N 1 2 376.873 2.405 20 0 GEADLO Clc1cnc(Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)s1 ZINC000681359422 532427623 /nfs/dbraw/zinc/42/76/23/532427623.db2.gz AIXHITQGAIJZSY-ZDUSSCGKSA-N 1 2 376.873 2.405 20 0 GEADLO C[N@@H+](Cc1nnnn1CC(F)(F)F)C[C@@H](O)c1ccccc1Br ZINC000295272347 532429649 /nfs/dbraw/zinc/42/96/49/532429649.db2.gz HTHQECILURTXRW-LLVKDONJSA-N 1 2 394.195 2.163 20 0 GEADLO C[N@H+](Cc1nnnn1CC(F)(F)F)C[C@@H](O)c1ccccc1Br ZINC000295272347 532429653 /nfs/dbraw/zinc/42/96/53/532429653.db2.gz HTHQECILURTXRW-LLVKDONJSA-N 1 2 394.195 2.163 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000626167317 532435243 /nfs/dbraw/zinc/43/52/43/532435243.db2.gz SQOJBBBMSWLBMV-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000626167317 532435249 /nfs/dbraw/zinc/43/52/49/532435249.db2.gz SQOJBBBMSWLBMV-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO COc1cccc2c(N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc[nH+]c12 ZINC000561356446 532435343 /nfs/dbraw/zinc/43/53/43/532435343.db2.gz OGKMVBOADBZGCI-ZDUSSCGKSA-N 1 2 377.388 2.478 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000466816461 532435761 /nfs/dbraw/zinc/43/57/61/532435761.db2.gz ODRSKAMMIBMSBY-UHFFFAOYSA-N 1 2 399.195 2.289 20 0 GEADLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1(C)C ZINC000295332026 532435982 /nfs/dbraw/zinc/43/59/82/532435982.db2.gz QIPANEZIEKGJLT-GFCCVEGCSA-N 1 2 379.873 2.493 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000626167107 532436117 /nfs/dbraw/zinc/43/61/17/532436117.db2.gz OBKWEMQULSVPBT-CQSZACIVSA-N 1 2 382.917 2.287 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000626167107 532436121 /nfs/dbraw/zinc/43/61/21/532436121.db2.gz OBKWEMQULSVPBT-CQSZACIVSA-N 1 2 382.917 2.287 20 0 GEADLO Cc1cc(Cl)ccc1C[NH+]1CCN(c2ncccc2S(N)(=O)=O)CC1 ZINC000561360206 532436940 /nfs/dbraw/zinc/43/69/40/532436940.db2.gz MHOBEUHTFAWULL-UHFFFAOYSA-N 1 2 380.901 2.013 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000427822825 532433689 /nfs/dbraw/zinc/43/36/89/532433689.db2.gz DXHMJCMRYFIDDF-CQSZACIVSA-N 1 2 391.269 2.022 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000681623987 532434874 /nfs/dbraw/zinc/43/48/74/532434874.db2.gz ZYUQJFMMKHPJQW-UHFFFAOYSA-N 1 2 378.226 2.460 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000650146849 532437789 /nfs/dbraw/zinc/43/77/89/532437789.db2.gz JTDIPWPMQDDOQE-IJLUTSLNSA-N 1 2 378.947 2.256 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000650146849 532437796 /nfs/dbraw/zinc/43/77/96/532437796.db2.gz JTDIPWPMQDDOQE-IJLUTSLNSA-N 1 2 378.947 2.256 20 0 GEADLO CCOC(=O)c1c(NC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O)sc(C)c1CC ZINC000467176148 532440067 /nfs/dbraw/zinc/44/00/67/532440067.db2.gz MYGHWAJTWLCJNH-NDHGSNPTSA-N 1 2 388.555 2.433 20 0 GEADLO CCOC(=O)c1c(NC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O)sc(C)c1CC ZINC000467176148 532440073 /nfs/dbraw/zinc/44/00/73/532440073.db2.gz MYGHWAJTWLCJNH-NDHGSNPTSA-N 1 2 388.555 2.433 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccsc1 ZINC000561463808 532440256 /nfs/dbraw/zinc/44/02/56/532440256.db2.gz RQZBASUZOKBSMZ-UKRRQHHQSA-N 1 2 387.571 2.396 20 0 GEADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]Cc1n[nH]cc1Br ZINC000561526689 532442861 /nfs/dbraw/zinc/44/28/61/532442861.db2.gz WDIUYTQSLAWGOJ-UHFFFAOYSA-N 1 2 384.278 2.227 20 0 GEADLO Cc1oc(S(C)(=O)=O)cc1C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000626932090 532445543 /nfs/dbraw/zinc/44/55/43/532445543.db2.gz DOLOZMAEDGBKPH-HNNXBMFYSA-N 1 2 382.869 2.432 20 0 GEADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)Nc2cc[nH+]cc2C)c1 ZINC000282223404 532449123 /nfs/dbraw/zinc/44/91/23/532449123.db2.gz AYUMILSGFWJIQC-UHFFFAOYSA-N 1 2 383.495 2.221 20 0 GEADLO C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ncc(Br)s1 ZINC000561709284 532447596 /nfs/dbraw/zinc/44/75/96/532447596.db2.gz GCFHNDUUOZNNBI-QWRGUYRKSA-N 1 2 398.330 2.481 20 0 GEADLO Cc1cc(NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)nnc1C ZINC000467469408 532448355 /nfs/dbraw/zinc/44/83/55/532448355.db2.gz UAZVMDGPSDEIPQ-UHFFFAOYSA-N 1 2 375.230 2.825 20 0 GEADLO COC(=O)c1cc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cn1C ZINC000428285709 532449408 /nfs/dbraw/zinc/44/94/08/532449408.db2.gz PIEBVWJYVYAFSD-OAHLLOKOSA-N 1 2 394.269 2.233 20 0 GEADLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cn1C ZINC000428285709 532449425 /nfs/dbraw/zinc/44/94/25/532449425.db2.gz PIEBVWJYVYAFSD-OAHLLOKOSA-N 1 2 394.269 2.233 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)Cc1nc(-c2cccc(Br)c2)no1 ZINC000467922549 532457045 /nfs/dbraw/zinc/45/70/45/532457045.db2.gz JCZLWUWIKMTNEF-UHFFFAOYSA-N 1 2 397.254 2.348 20 0 GEADLO CC(=O)NCC[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000561934039 532454152 /nfs/dbraw/zinc/45/41/52/532454152.db2.gz IHPJEMVQDVXFGZ-CJNGLKHVSA-N 1 2 382.302 2.214 20 0 GEADLO CC(=O)NCC[C@H]1CCC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000561934039 532454155 /nfs/dbraw/zinc/45/41/55/532454155.db2.gz IHPJEMVQDVXFGZ-CJNGLKHVSA-N 1 2 382.302 2.214 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000650787811 532454330 /nfs/dbraw/zinc/45/43/30/532454330.db2.gz GUISAUXQFGDAGA-UHFFFAOYSA-N 1 2 390.311 2.484 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](CC)c2ccc(Cl)s2)CC1 ZINC000562125549 532458157 /nfs/dbraw/zinc/45/81/57/532458157.db2.gz WRAUEDXYAUFYFA-ZDUSSCGKSA-N 1 2 387.933 2.150 20 0 GEADLO C[C@@H](C(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F)[NH+]1CC(C)C1 ZINC000519178179 532459133 /nfs/dbraw/zinc/45/91/33/532459133.db2.gz CUCODQCVDQLSQE-JTQLQIEISA-N 1 2 389.880 2.199 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000592760214 532460215 /nfs/dbraw/zinc/46/02/15/532460215.db2.gz XDOSCCGWUPJWME-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000592760214 532460218 /nfs/dbraw/zinc/46/02/18/532460218.db2.gz XDOSCCGWUPJWME-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO CS[C@H](C)CNC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000519370239 532460399 /nfs/dbraw/zinc/46/03/99/532460399.db2.gz YYTWPGXCMXBCQI-ZIAGYGMSSA-N 1 2 383.945 2.413 20 0 GEADLO C[C@@H]1CC[N@H+](CC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000519422442 532464828 /nfs/dbraw/zinc/46/48/28/532464828.db2.gz VGJQDWMLXKNNKI-LLVKDONJSA-N 1 2 378.274 2.192 20 0 GEADLO C[C@@H]1CC[N@@H+](CC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000519422442 532464834 /nfs/dbraw/zinc/46/48/34/532464834.db2.gz VGJQDWMLXKNNKI-LLVKDONJSA-N 1 2 378.274 2.192 20 0 GEADLO C[C@@H]1CC[N@H+](CC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000519422442 532464842 /nfs/dbraw/zinc/46/48/42/532464842.db2.gz VGJQDWMLXKNNKI-LLVKDONJSA-N 1 2 378.274 2.192 20 0 GEADLO C[C@@H]1CC[N@@H+](CC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000519422442 532464846 /nfs/dbraw/zinc/46/48/46/532464846.db2.gz VGJQDWMLXKNNKI-LLVKDONJSA-N 1 2 378.274 2.192 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](CO)CC(F)F)[nH+]c12 ZINC000428952929 532465076 /nfs/dbraw/zinc/46/50/76/532465076.db2.gz DWQLEEOMYAJBKE-JTQLQIEISA-N 1 2 391.216 2.221 20 0 GEADLO CNS(=O)(=O)CCC[N@@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428925020 532465325 /nfs/dbraw/zinc/46/53/25/532465325.db2.gz RANBJEDTCSUWPR-SWLSCSKDSA-N 1 2 380.432 2.407 20 0 GEADLO CNS(=O)(=O)CCC[N@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428925020 532465330 /nfs/dbraw/zinc/46/53/30/532465330.db2.gz RANBJEDTCSUWPR-SWLSCSKDSA-N 1 2 380.432 2.407 20 0 GEADLO CCS(=O)(=O)CCCCC[N@@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000373710476 532463419 /nfs/dbraw/zinc/46/34/19/532463419.db2.gz FUWXLQVGPWXHME-UHFFFAOYSA-N 1 2 387.571 2.204 20 0 GEADLO CCS(=O)(=O)CCCCC[N@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000373710476 532463423 /nfs/dbraw/zinc/46/34/23/532463423.db2.gz FUWXLQVGPWXHME-UHFFFAOYSA-N 1 2 387.571 2.204 20 0 GEADLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cn(C)nc3C(F)(F)F)sc2C1 ZINC000562540750 532470076 /nfs/dbraw/zinc/47/00/76/532470076.db2.gz KWDIXCDHYLXCMZ-UHFFFAOYSA-N 1 2 395.432 2.074 20 0 GEADLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cn(C)nc3C(F)(F)F)sc2C1 ZINC000562540750 532470083 /nfs/dbraw/zinc/47/00/83/532470083.db2.gz KWDIXCDHYLXCMZ-UHFFFAOYSA-N 1 2 395.432 2.074 20 0 GEADLO C[C@](C[NH3+])(NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C1CC1 ZINC000429232389 532471132 /nfs/dbraw/zinc/47/11/32/532471132.db2.gz KCKSJNKMRHMCCZ-QGZVFWFLSA-N 1 2 379.507 2.406 20 0 GEADLO Cc1[nH]c[nH+]c1CC(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628683712 532472039 /nfs/dbraw/zinc/47/20/39/532472039.db2.gz WZBOQJUAORIYON-KRWDZBQOSA-N 1 2 378.270 2.059 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)sc1Cl ZINC000295722128 532472220 /nfs/dbraw/zinc/47/22/20/532472220.db2.gz LTLJCSLRDUGLEH-LLVKDONJSA-N 1 2 377.919 2.482 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628682940 532472712 /nfs/dbraw/zinc/47/27/12/532472712.db2.gz RJDKCSRDRQJSTL-QGZVFWFLSA-N 1 2 378.270 2.141 20 0 GEADLO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[S@]1=O ZINC000429599625 532481629 /nfs/dbraw/zinc/48/16/29/532481629.db2.gz SLTXMLPGWIHVNN-MHLYXQECSA-N 1 2 394.306 2.171 20 0 GEADLO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[S@]1=O ZINC000429599625 532481632 /nfs/dbraw/zinc/48/16/32/532481632.db2.gz SLTXMLPGWIHVNN-MHLYXQECSA-N 1 2 394.306 2.171 20 0 GEADLO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H](C)S(C)(=O)=O ZINC000468944292 532482595 /nfs/dbraw/zinc/48/25/95/532482595.db2.gz NXPMKXRNFLAUSR-UONOGXRCSA-N 1 2 386.945 2.490 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000295880324 532484475 /nfs/dbraw/zinc/48/44/75/532484475.db2.gz YMFMETXGOHMTKE-UHFFFAOYSA-N 1 2 385.287 2.115 20 0 GEADLO Cn1c[nH+]cc1CN1C(=O)[C@H]2Cc3c(Br)cccc3CN2C1=O ZINC000562829165 532484633 /nfs/dbraw/zinc/48/46/33/532484633.db2.gz ZFGCMILCMMBHCQ-CQSZACIVSA-N 1 2 375.226 2.072 20 0 GEADLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](C)O2 ZINC000374019391 532484950 /nfs/dbraw/zinc/48/49/50/532484950.db2.gz SLGOFRZIJLFWNZ-IGCXYCKISA-N 1 2 398.301 2.441 20 0 GEADLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](C)O2 ZINC000374019391 532484958 /nfs/dbraw/zinc/48/49/58/532484958.db2.gz SLGOFRZIJLFWNZ-IGCXYCKISA-N 1 2 398.301 2.441 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000429972375 532485847 /nfs/dbraw/zinc/48/58/47/532485847.db2.gz MCCOGQNAQMAAGY-UHFFFAOYSA-N 1 2 377.246 2.847 20 0 GEADLO O=C(C[N@H+]1CCCC[C@H](CO)C1)Nc1ccccc1I ZINC000374049350 532486538 /nfs/dbraw/zinc/48/65/38/532486538.db2.gz JOYQPFSNSYHTNG-LBPRGKRZSA-N 1 2 388.249 2.324 20 0 GEADLO O=C(C[N@@H+]1CCCC[C@H](CO)C1)Nc1ccccc1I ZINC000374049350 532486540 /nfs/dbraw/zinc/48/65/40/532486540.db2.gz JOYQPFSNSYHTNG-LBPRGKRZSA-N 1 2 388.249 2.324 20 0 GEADLO O=S(=O)(C1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1)N1CCCC1 ZINC000282675962 532488328 /nfs/dbraw/zinc/48/83/28/532488328.db2.gz HXGTYJHALDXQNW-UHFFFAOYSA-N 1 2 382.917 2.378 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)c1ccc(=O)[nH]c1 ZINC000562956931 532491031 /nfs/dbraw/zinc/49/10/31/532491031.db2.gz SMUGMXXBXBCPEU-UHFFFAOYSA-N 1 2 379.214 2.034 20 0 GEADLO COC[C@@H](O)CC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000230143305 532491071 /nfs/dbraw/zinc/49/10/71/532491071.db2.gz PJVWSUSUWJSDBX-VIFPVBQESA-N 1 2 383.080 2.404 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccc(Br)o1 ZINC000629439518 532491302 /nfs/dbraw/zinc/49/13/02/532491302.db2.gz LZTMHQMZCYTHAS-ZDUSSCGKSA-N 1 2 380.242 2.068 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccc(Br)o1 ZINC000629439518 532491309 /nfs/dbraw/zinc/49/13/09/532491309.db2.gz LZTMHQMZCYTHAS-ZDUSSCGKSA-N 1 2 380.242 2.068 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1occc1Br ZINC000629437106 532492178 /nfs/dbraw/zinc/49/21/78/532492178.db2.gz HFPRYCILEBRGBV-ZDUSSCGKSA-N 1 2 380.242 2.068 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1occc1Br ZINC000629437106 532492181 /nfs/dbraw/zinc/49/21/81/532492181.db2.gz HFPRYCILEBRGBV-ZDUSSCGKSA-N 1 2 380.242 2.068 20 0 GEADLO CS(=O)(=O)c1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)s1 ZINC000469128388 532492890 /nfs/dbraw/zinc/49/28/90/532492890.db2.gz WUNBOKYJWIDUGE-INIZCTEOSA-N 1 2 382.482 2.400 20 0 GEADLO COc1ccc(Br)c(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1 ZINC000374257377 532495399 /nfs/dbraw/zinc/49/53/99/532495399.db2.gz YMLAHZMDOBIAEG-AWEZNQCLSA-N 1 2 389.315 2.114 20 0 GEADLO COc1ccc(Br)c(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1 ZINC000374257377 532495403 /nfs/dbraw/zinc/49/54/03/532495403.db2.gz YMLAHZMDOBIAEG-AWEZNQCLSA-N 1 2 389.315 2.114 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)Cc1ccc(Br)s1)C2 ZINC000652087538 532503053 /nfs/dbraw/zinc/50/30/53/532503053.db2.gz KHCYDWFOMGAZLM-NSHDSACASA-N 1 2 398.326 2.224 20 0 GEADLO COC(=O)[C@@H](CC(F)(F)F)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000563391694 532503159 /nfs/dbraw/zinc/50/31/59/532503159.db2.gz ZUHLXKILHOCCBY-HTQZYQBOSA-N 1 2 375.269 2.066 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)[C@H]3CCC[C@H](C(N)=O)C3)[nH+]c12 ZINC000469568960 532504998 /nfs/dbraw/zinc/50/49/98/532504998.db2.gz OAYMMYGRZBIXIE-RYUDHWBXSA-N 1 2 393.285 2.313 20 0 GEADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000563448156 532505563 /nfs/dbraw/zinc/50/55/63/532505563.db2.gz QRKLYCAGRMVWLG-UHFFFAOYSA-N 1 2 399.676 2.443 20 0 GEADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000563448156 532505566 /nfs/dbraw/zinc/50/55/66/532505566.db2.gz QRKLYCAGRMVWLG-UHFFFAOYSA-N 1 2 399.676 2.443 20 0 GEADLO CC(C)(C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[NH+]1CCOCC1 ZINC000469574516 532506308 /nfs/dbraw/zinc/50/63/08/532506308.db2.gz LQWDJAGFYIQHGE-UHFFFAOYSA-N 1 2 387.311 2.148 20 0 GEADLO CC[N@H+](CCc1cccs1)CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000521194515 532507430 /nfs/dbraw/zinc/50/74/30/532507430.db2.gz YBSXYSNIHZBIJK-MRXNPFEDSA-N 1 2 386.583 2.284 20 0 GEADLO CC[N@@H+](CCc1cccs1)CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000521194515 532507439 /nfs/dbraw/zinc/50/74/39/532507439.db2.gz YBSXYSNIHZBIJK-MRXNPFEDSA-N 1 2 386.583 2.284 20 0 GEADLO O=C(N[C@@H]1CC[S@](=O)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000521164906 532507796 /nfs/dbraw/zinc/50/77/96/532507796.db2.gz VKTRVKYHIHPKDG-CPJLOUKISA-N 1 2 380.901 2.269 20 0 GEADLO Cc1nc(N)c(CNC(=O)CSCc2cc(-c3cccs3)on2)c[nH+]1 ZINC000563641616 532508703 /nfs/dbraw/zinc/50/87/03/532508703.db2.gz NJBPJHJZWLGILH-UHFFFAOYSA-N 1 2 375.479 2.633 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)c1cccc(Br)c1 ZINC000374541583 532510382 /nfs/dbraw/zinc/51/03/82/532510382.db2.gz OYSPBEJIHRXSKP-LBPRGKRZSA-N 1 2 399.314 2.221 20 0 GEADLO O=S(=O)(CC[N@H+]1CCC[C@H](c2nnc[nH]2)C1)c1cccc(Br)c1 ZINC000374541583 532510387 /nfs/dbraw/zinc/51/03/87/532510387.db2.gz OYSPBEJIHRXSKP-LBPRGKRZSA-N 1 2 399.314 2.221 20 0 GEADLO COC(=O)[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@H]1C ZINC000469865148 532514358 /nfs/dbraw/zinc/51/43/58/532514358.db2.gz UTIYHLFKMHLZMF-FZMZJTMJSA-N 1 2 390.299 2.106 20 0 GEADLO COC(=O)[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@H]1C ZINC000469865148 532514362 /nfs/dbraw/zinc/51/43/62/532514362.db2.gz UTIYHLFKMHLZMF-FZMZJTMJSA-N 1 2 390.299 2.106 20 0 GEADLO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCCn1cc[nH+]c1 ZINC000630400049 532515913 /nfs/dbraw/zinc/51/59/13/532515913.db2.gz KAQRLOCQYPFBPZ-CQSZACIVSA-N 1 2 387.267 2.271 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000521610910 532516229 /nfs/dbraw/zinc/51/62/29/532516229.db2.gz HKWOJCWYRJRDIX-COXVUDFISA-N 1 2 380.330 2.305 20 0 GEADLO CC(=O)NCCN(Cc1ccsc1)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000374790452 532519311 /nfs/dbraw/zinc/51/93/11/532519311.db2.gz BKAJXOOQTBBLEI-UHFFFAOYSA-N 1 2 377.535 2.333 20 0 GEADLO CC(=O)NCCN(Cc1ccsc1)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000374790452 532519314 /nfs/dbraw/zinc/51/93/14/532519314.db2.gz BKAJXOOQTBBLEI-UHFFFAOYSA-N 1 2 377.535 2.333 20 0 GEADLO COc1ccccc1[C@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)CC[NH2+]1 ZINC000374350530 532498439 /nfs/dbraw/zinc/49/84/39/532498439.db2.gz MFTUJAZRVBYCNF-CQSZACIVSA-N 1 2 392.253 2.345 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000685850426 532498808 /nfs/dbraw/zinc/49/88/08/532498808.db2.gz AELXQSARKSULIJ-UHFFFAOYSA-N 1 2 384.304 2.447 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000685850426 532498816 /nfs/dbraw/zinc/49/88/16/532498816.db2.gz AELXQSARKSULIJ-UHFFFAOYSA-N 1 2 384.304 2.447 20 0 GEADLO CC(=O)NC1CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000685834991 532499297 /nfs/dbraw/zinc/49/92/97/532499297.db2.gz KLTXGIXFVQVFGJ-UHFFFAOYSA-N 1 2 378.274 2.130 20 0 GEADLO CC(C)(C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1Br ZINC000282837862 532500414 /nfs/dbraw/zinc/50/04/14/532500414.db2.gz SKIUGNYUTNVPSE-UHFFFAOYSA-N 1 2 396.329 2.135 20 0 GEADLO O[C@H](CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)C[NH+]1CCOCC1 ZINC000246321073 532537305 /nfs/dbraw/zinc/53/73/05/532537305.db2.gz HXMRWXHAOBRGNF-SJCJKPOMSA-N 1 2 393.286 2.199 20 0 GEADLO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000246492484 532539095 /nfs/dbraw/zinc/53/90/95/532539095.db2.gz BFOFWOPDFVEUTO-RKPUJPDHSA-N 1 2 383.583 2.485 20 0 GEADLO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000246492484 532539100 /nfs/dbraw/zinc/53/91/00/532539100.db2.gz BFOFWOPDFVEUTO-RKPUJPDHSA-N 1 2 383.583 2.485 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000246573663 532540796 /nfs/dbraw/zinc/54/07/96/532540796.db2.gz VQFIDQPDLKQLPK-AEGPPILISA-N 1 2 387.307 2.248 20 0 GEADLO Brc1c[nH]nc1CNCc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631076046 532542151 /nfs/dbraw/zinc/54/21/51/532542151.db2.gz IFPVBAWZOCHTDQ-UHFFFAOYSA-N 1 2 395.301 2.173 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+]Cc3ncc(Br)cc3Cl)C2=O)n(C)n1 ZINC000631086142 532542168 /nfs/dbraw/zinc/54/21/68/532542168.db2.gz YVHZJNXOGRVGBA-LBPRGKRZSA-N 1 2 398.692 2.435 20 0 GEADLO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000653837016 532542280 /nfs/dbraw/zinc/54/22/80/532542280.db2.gz MGMSENKPEAMAFT-KBPBESRZSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCOc2cccc(Br)c2C1 ZINC000653837016 532542289 /nfs/dbraw/zinc/54/22/89/532542289.db2.gz MGMSENKPEAMAFT-KBPBESRZSA-N 1 2 386.286 2.200 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1ncc(Br)cc1Cl)NCC1CCC1 ZINC000631068113 532542627 /nfs/dbraw/zinc/54/26/27/532542627.db2.gz MTPPHBLLPIEFFJ-UHFFFAOYSA-N 1 2 396.738 2.307 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000565036545 532544392 /nfs/dbraw/zinc/54/43/92/532544392.db2.gz VHIJVSNOCPTPNP-GFCCVEGCSA-N 1 2 391.269 2.305 20 0 GEADLO CC(C)[C@H]1C[N@H+](C)CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000471192297 532544514 /nfs/dbraw/zinc/54/45/14/532544514.db2.gz UKKUIMJSGJUCHI-MRXNPFEDSA-N 1 2 389.359 2.495 20 0 GEADLO CC(C)[C@H]1C[N@@H+](C)CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000471192297 532544520 /nfs/dbraw/zinc/54/45/20/532544520.db2.gz UKKUIMJSGJUCHI-MRXNPFEDSA-N 1 2 389.359 2.495 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000630443606 532519645 /nfs/dbraw/zinc/51/96/45/532519645.db2.gz CSCSATQIJCUJIJ-NSHDSACASA-N 1 2 379.265 2.082 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000244332064 532519755 /nfs/dbraw/zinc/51/97/55/532519755.db2.gz XOOMNEQDFBTETE-UHFFFAOYSA-N 1 2 387.311 2.157 20 0 GEADLO Cc1csc2c1C[N@H+]([C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)CC2 ZINC000374839811 532520122 /nfs/dbraw/zinc/52/01/22/532520122.db2.gz CTUVIHNTUJONBE-LBPRGKRZSA-N 1 2 379.507 2.089 20 0 GEADLO Cc1csc2c1C[N@@H+]([C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)CC2 ZINC000374839811 532520125 /nfs/dbraw/zinc/52/01/25/532520125.db2.gz CTUVIHNTUJONBE-LBPRGKRZSA-N 1 2 379.507 2.089 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000283149042 532520997 /nfs/dbraw/zinc/52/09/97/532520997.db2.gz FEFIFDYGGQVTQW-AWEZNQCLSA-N 1 2 378.885 2.396 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245712188 532522964 /nfs/dbraw/zinc/52/29/64/532522964.db2.gz PGCSXKPNCOUPEF-FFSVYQOJSA-N 1 2 390.908 2.269 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245712188 532522971 /nfs/dbraw/zinc/52/29/71/532522971.db2.gz PGCSXKPNCOUPEF-FFSVYQOJSA-N 1 2 390.908 2.269 20 0 GEADLO COCC[N@H+](Cc1ccc(Br)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000283176605 532523314 /nfs/dbraw/zinc/52/33/14/532523314.db2.gz DVBSMSCNOGVHAC-CQSZACIVSA-N 1 2 376.316 2.393 20 0 GEADLO COCC[N@@H+](Cc1ccc(Br)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000283176605 532523317 /nfs/dbraw/zinc/52/33/17/532523317.db2.gz DVBSMSCNOGVHAC-CQSZACIVSA-N 1 2 376.316 2.393 20 0 GEADLO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522313849 532524079 /nfs/dbraw/zinc/52/40/79/532524079.db2.gz LRTKSRIPZZXXNU-VXGBXAGGSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522313849 532524087 /nfs/dbraw/zinc/52/40/87/532524087.db2.gz LRTKSRIPZZXXNU-VXGBXAGGSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283263129 532527453 /nfs/dbraw/zinc/52/74/53/532527453.db2.gz MUZGICBUXZYCFR-GFCCVEGCSA-N 1 2 383.279 2.444 20 0 GEADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000245922503 532527863 /nfs/dbraw/zinc/52/78/63/532527863.db2.gz UWOZPALXCVCLML-WFASDCNBSA-N 1 2 382.302 2.227 20 0 GEADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000245922503 532527870 /nfs/dbraw/zinc/52/78/70/532527870.db2.gz UWOZPALXCVCLML-WFASDCNBSA-N 1 2 382.302 2.227 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)[C@@H](C)Oc2ccccc2Br)CCO1 ZINC000470451846 532528350 /nfs/dbraw/zinc/52/83/50/532528350.db2.gz NQRSPCXDCZKLJL-KGLIPLIRSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H](C)Oc2ccccc2Br)CCO1 ZINC000470451846 532528355 /nfs/dbraw/zinc/52/83/55/532528355.db2.gz NQRSPCXDCZKLJL-KGLIPLIRSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246092952 532530396 /nfs/dbraw/zinc/53/03/96/532530396.db2.gz NWQFQGPGOCBEPN-GXFFZTMASA-N 1 2 375.416 2.498 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246092952 532530405 /nfs/dbraw/zinc/53/04/05/532530405.db2.gz NWQFQGPGOCBEPN-GXFFZTMASA-N 1 2 375.416 2.498 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(I)cc2)CCO1 ZINC000470464864 532530392 /nfs/dbraw/zinc/53/03/92/532530392.db2.gz RUKLYGDVDINXER-AWEZNQCLSA-N 1 2 388.249 2.132 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(I)cc2)CCO1 ZINC000470464864 532530400 /nfs/dbraw/zinc/53/04/00/532530400.db2.gz RUKLYGDVDINXER-AWEZNQCLSA-N 1 2 388.249 2.132 20 0 GEADLO CC(C)[C@@H]1C[N@H+](C)CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000471192296 532545244 /nfs/dbraw/zinc/54/52/44/532545244.db2.gz UKKUIMJSGJUCHI-INIZCTEOSA-N 1 2 389.359 2.495 20 0 GEADLO CC(C)[C@@H]1C[N@@H+](C)CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000471192296 532545247 /nfs/dbraw/zinc/54/52/47/532545247.db2.gz UKKUIMJSGJUCHI-INIZCTEOSA-N 1 2 389.359 2.495 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)s1 ZINC000594803983 532531641 /nfs/dbraw/zinc/53/16/41/532531641.db2.gz SRXCTFCVLVTRFD-UHFFFAOYSA-N 1 2 381.479 2.008 20 0 GEADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000527128346 532545380 /nfs/dbraw/zinc/54/53/80/532545380.db2.gz BRWKEDRHGGFHMI-OCCSQVGLSA-N 1 2 378.238 2.115 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC000246224774 532533896 /nfs/dbraw/zinc/53/38/96/532533896.db2.gz VVRPYGYUHAFUSR-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC000246224774 532533901 /nfs/dbraw/zinc/53/39/01/532533901.db2.gz VVRPYGYUHAFUSR-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000296697615 532534326 /nfs/dbraw/zinc/53/43/26/532534326.db2.gz INBARBXCCYMYDS-LBPRGKRZSA-N 1 2 396.333 2.479 20 0 GEADLO CSCC[C@H](C)[N@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000246877935 532545312 /nfs/dbraw/zinc/54/53/12/532545312.db2.gz JTINHPFXNBTOTB-HOCLYGCPSA-N 1 2 376.588 2.018 20 0 GEADLO CSCC[C@H](C)[N@@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000246877935 532545314 /nfs/dbraw/zinc/54/53/14/532545314.db2.gz JTINHPFXNBTOTB-HOCLYGCPSA-N 1 2 376.588 2.018 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000283624341 532550156 /nfs/dbraw/zinc/55/01/56/532550156.db2.gz HOWMOSNEHKWPOV-DOMZBBRYSA-N 1 2 375.922 2.065 20 0 GEADLO COC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000432998910 532551335 /nfs/dbraw/zinc/55/13/35/532551335.db2.gz JZFHRNAUVKQNAP-SNVBAGLBSA-N 1 2 393.241 2.315 20 0 GEADLO COc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000432990196 532551554 /nfs/dbraw/zinc/55/15/54/532551554.db2.gz YIFSNRIQICQZKQ-LLVKDONJSA-N 1 2 379.258 2.215 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccc(Br)cc1F)C2 ZINC000375370226 532551802 /nfs/dbraw/zinc/55/18/02/532551802.db2.gz OKGGHPXSXMASKI-NSHDSACASA-N 1 2 388.262 2.386 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCOC[C@H]1C[C@H](C)O)c1ccc(Br)cc1 ZINC000248643768 532553079 /nfs/dbraw/zinc/55/30/79/532553079.db2.gz ZDWYNSWRDMQXQJ-WOSRLPQWSA-N 1 2 385.302 2.098 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCOC[C@H]1C[C@H](C)O)c1ccc(Br)cc1 ZINC000248643768 532553084 /nfs/dbraw/zinc/55/30/84/532553084.db2.gz ZDWYNSWRDMQXQJ-WOSRLPQWSA-N 1 2 385.302 2.098 20 0 GEADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)NCc1ccsc1Br ZINC000283737533 532553507 /nfs/dbraw/zinc/55/35/07/532553507.db2.gz GKNXNUIQXPGGOI-UHFFFAOYSA-N 1 2 395.326 2.344 20 0 GEADLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1)C(=O)OC(C)(C)C ZINC000375398145 532554352 /nfs/dbraw/zinc/55/43/52/532554352.db2.gz UESFTPZBRJRJER-KKUMJFAQSA-N 1 2 378.510 2.091 20 0 GEADLO CN(C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CCCS(=O)(=O)C1)C(=O)OC(C)(C)C ZINC000375398145 532554354 /nfs/dbraw/zinc/55/43/54/532554354.db2.gz UESFTPZBRJRJER-KKUMJFAQSA-N 1 2 378.510 2.091 20 0 GEADLO COC[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H](C)O1 ZINC000433236450 532559133 /nfs/dbraw/zinc/55/91/33/532559133.db2.gz RACPVVIUGHYAPI-KCXAZCMYSA-N 1 2 383.286 2.290 20 0 GEADLO COC[C@@H]1C[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H](C)O1 ZINC000433236450 532559139 /nfs/dbraw/zinc/55/91/39/532559139.db2.gz RACPVVIUGHYAPI-KCXAZCMYSA-N 1 2 383.286 2.290 20 0 GEADLO O=C(Cc1ccncc1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000654482884 532561578 /nfs/dbraw/zinc/56/15/78/532561578.db2.gz PMFFVDHXHHNZJB-UHFFFAOYSA-N 1 2 377.242 2.257 20 0 GEADLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375496898 532561702 /nfs/dbraw/zinc/56/17/02/532561702.db2.gz GMRVPECDAQVCCK-HBNTYKKESA-N 1 2 375.416 2.331 20 0 GEADLO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375496898 532561709 /nfs/dbraw/zinc/56/17/09/532561709.db2.gz GMRVPECDAQVCCK-HBNTYKKESA-N 1 2 375.416 2.331 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)c1csc(=O)[nH]1 ZINC000654484011 532562688 /nfs/dbraw/zinc/56/26/88/532562688.db2.gz MOQLZCFSABLWIA-UHFFFAOYSA-N 1 2 385.243 2.095 20 0 GEADLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Br)cnc1OC ZINC000595442624 532565464 /nfs/dbraw/zinc/56/54/64/532565464.db2.gz VVCTWLAVSUMYMY-KBPBESRZSA-N 1 2 387.274 2.395 20 0 GEADLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(Br)cnc1OC ZINC000595442624 532565466 /nfs/dbraw/zinc/56/54/66/532565466.db2.gz VVCTWLAVSUMYMY-KBPBESRZSA-N 1 2 387.274 2.395 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000283921651 532566459 /nfs/dbraw/zinc/56/64/59/532566459.db2.gz IVRVCMCUTHZTLS-LRDDRELGSA-N 1 2 397.317 2.315 20 0 GEADLO COc1cc(C)c(S(=O)(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000432873697 532547202 /nfs/dbraw/zinc/54/72/02/532547202.db2.gz RVGCPMJHIPUQPW-ZIAGYGMSSA-N 1 2 390.933 2.435 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[NH+](Cc3cccc4cc[nH]c43)CC2)cs1 ZINC000527239335 532547372 /nfs/dbraw/zinc/54/73/72/532547372.db2.gz VVYMEGASXLLJCT-UHFFFAOYSA-N 1 2 376.507 2.439 20 0 GEADLO O=C(CCn1ccnn1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000527293774 532548632 /nfs/dbraw/zinc/54/86/32/532548632.db2.gz XPUUWPGDHTXRPF-UHFFFAOYSA-N 1 2 382.295 2.362 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000527290812 532548838 /nfs/dbraw/zinc/54/88/38/532548838.db2.gz HEUHYLLPYHPZNE-GFCCVEGCSA-N 1 2 385.873 2.196 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)cc1Cl ZINC000262072938 532583750 /nfs/dbraw/zinc/58/37/50/532583750.db2.gz SGXLAIDFPUVHAC-ZDUSSCGKSA-N 1 2 386.930 2.131 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)CCOC(C)(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000632161306 532584209 /nfs/dbraw/zinc/58/42/09/532584209.db2.gz WCVLYKRKBXUUPN-HOTGVXAUSA-N 1 2 376.469 2.445 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)CCOC(C)(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000632161306 532584215 /nfs/dbraw/zinc/58/42/15/532584215.db2.gz WCVLYKRKBXUUPN-HOTGVXAUSA-N 1 2 376.469 2.445 20 0 GEADLO Cc1csc(NC(=O)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000473260071 532587230 /nfs/dbraw/zinc/58/72/30/532587230.db2.gz VSXHIVKVBRSQAV-UHFFFAOYSA-N 1 2 394.254 2.117 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(c2nc(C3CC3)ncc2Br)[C@@H](C)C1 ZINC000596184007 532589383 /nfs/dbraw/zinc/58/93/83/532589383.db2.gz CXMOZUKIMKPYEO-NSHDSACASA-N 1 2 383.290 2.190 20 0 GEADLO COC(=O)CC[N@H+]1CCN(c2nc(C3CC3)ncc2Br)[C@@H](C)C1 ZINC000596184007 532589387 /nfs/dbraw/zinc/58/93/87/532589387.db2.gz CXMOZUKIMKPYEO-NSHDSACASA-N 1 2 383.290 2.190 20 0 GEADLO COC(=O)c1cn(C2CCN(c3nc(C)[nH+]c(C)c3Br)CC2)nn1 ZINC000596192688 532589422 /nfs/dbraw/zinc/58/94/22/532589422.db2.gz UNWHHUBVOQFPRO-UHFFFAOYSA-N 1 2 395.261 2.076 20 0 GEADLO CN(C)c1ncc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)s1 ZINC000284405985 532589802 /nfs/dbraw/zinc/58/98/02/532589802.db2.gz QCRPRUKSWBGIKO-UHFFFAOYSA-N 1 2 380.539 2.018 20 0 GEADLO CN(C)c1ncc(C[N@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)s1 ZINC000284405985 532589815 /nfs/dbraw/zinc/58/98/15/532589815.db2.gz QCRPRUKSWBGIKO-UHFFFAOYSA-N 1 2 380.539 2.018 20 0 GEADLO COc1cccc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1F ZINC000655499170 532592660 /nfs/dbraw/zinc/59/26/60/532592660.db2.gz ZOAZQYYCJLOXKS-UHFFFAOYSA-N 1 2 381.351 2.414 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2OCC[C@H]2C1)Nc1ccccc1I ZINC000376041867 532593449 /nfs/dbraw/zinc/59/34/49/532593449.db2.gz IYMFXTYKIYVSQI-SMDDNHRTSA-N 1 2 386.233 2.341 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2OCC[C@H]2C1)Nc1ccccc1I ZINC000376041867 532593453 /nfs/dbraw/zinc/59/34/53/532593453.db2.gz IYMFXTYKIYVSQI-SMDDNHRTSA-N 1 2 386.233 2.341 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCc2ccc(Br)cc21 ZINC000434463261 532594969 /nfs/dbraw/zinc/59/49/69/532594969.db2.gz NNHKYFJLMAXQRB-UHFFFAOYSA-N 1 2 380.286 2.386 20 0 GEADLO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595723009 532572180 /nfs/dbraw/zinc/57/21/80/532572180.db2.gz OBHOEZGVEHWSIU-ZDUSSCGKSA-N 1 2 397.317 2.194 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H](CC(F)(F)F)C1 ZINC000433571180 532573263 /nfs/dbraw/zinc/57/32/63/532573263.db2.gz BXXOWTSQJUNVSE-HIFRSBDPSA-N 1 2 381.464 2.178 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000595815583 532574611 /nfs/dbraw/zinc/57/46/11/532574611.db2.gz GVSYSVPRIRMDKX-YVEFUNNKSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000595815583 532574616 /nfs/dbraw/zinc/57/46/16/532574616.db2.gz GVSYSVPRIRMDKX-YVEFUNNKSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000595815582 532574894 /nfs/dbraw/zinc/57/48/94/532574894.db2.gz GVSYSVPRIRMDKX-SJKOYZFVSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000595815582 532574902 /nfs/dbraw/zinc/57/49/02/532574902.db2.gz GVSYSVPRIRMDKX-SJKOYZFVSA-N 1 2 392.279 2.387 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000297234075 532575493 /nfs/dbraw/zinc/57/54/93/532575493.db2.gz OVTLEEVZNJLZPO-CQSZACIVSA-N 1 2 378.885 2.388 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(CC[N@@H+]1CCO[C@H](C)C1)C2 ZINC000595904934 532575925 /nfs/dbraw/zinc/57/59/25/532575925.db2.gz GLHHVMHNNQJLGJ-SNVBAGLBSA-N 1 2 389.315 2.334 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(CC[N@H+]1CCO[C@H](C)C1)C2 ZINC000595904934 532575926 /nfs/dbraw/zinc/57/59/26/532575926.db2.gz GLHHVMHNNQJLGJ-SNVBAGLBSA-N 1 2 389.315 2.334 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1 ZINC000565760188 532576339 /nfs/dbraw/zinc/57/63/39/532576339.db2.gz XDOCMSCBWWTYRS-QGZVFWFLSA-N 1 2 376.869 2.361 20 0 GEADLO COC(=O)c1cnc([C@@H]2CCC[N@H+](CC(=O)NCc3cccs3)C2)s1 ZINC000595916702 532576883 /nfs/dbraw/zinc/57/68/83/532576883.db2.gz WIBKUVTWCOVRQO-GFCCVEGCSA-N 1 2 379.507 2.487 20 0 GEADLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](CC(=O)NCc3cccs3)C2)s1 ZINC000595916702 532576887 /nfs/dbraw/zinc/57/68/87/532576887.db2.gz WIBKUVTWCOVRQO-GFCCVEGCSA-N 1 2 379.507 2.487 20 0 GEADLO CCOC[C@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000528725878 532577669 /nfs/dbraw/zinc/57/76/69/532577669.db2.gz VXZIGPGZNRRXQF-GOEBONIOSA-N 1 2 392.265 2.065 20 0 GEADLO CCOC[C@H]1C[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000528725878 532577674 /nfs/dbraw/zinc/57/76/74/532577674.db2.gz VXZIGPGZNRRXQF-GOEBONIOSA-N 1 2 392.265 2.065 20 0 GEADLO O=C(NCc1cc(Br)cs1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000284144801 532578261 /nfs/dbraw/zinc/57/82/61/532578261.db2.gz YTHLWHQTDWBYNE-UHFFFAOYSA-N 1 2 397.298 2.256 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccncc1Br)C(C)(C)CO ZINC000297292047 532578551 /nfs/dbraw/zinc/57/85/51/532578551.db2.gz ANVYJQMVGCZOLH-LBPRGKRZSA-N 1 2 382.262 2.459 20 0 GEADLO Cc1nc(C)c(S(=O)(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)s1 ZINC000433757173 532578673 /nfs/dbraw/zinc/57/86/73/532578673.db2.gz IHUNLQDYXHLLDS-UHFFFAOYSA-N 1 2 387.571 2.321 20 0 GEADLO Cc1cc(Br)cn2cc(CNS(=O)(=O)N3CCC[C@H]3C)[nH+]c12 ZINC000472583767 532578868 /nfs/dbraw/zinc/57/88/68/532578868.db2.gz BLXOPWFMZHTYAM-LLVKDONJSA-N 1 2 387.303 2.224 20 0 GEADLO C[C@H]1CCCN1S(=O)(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000472661774 532580530 /nfs/dbraw/zinc/58/05/30/532580530.db2.gz UDWPPIXDQUWUNO-HNNXBMFYSA-N 1 2 387.933 2.066 20 0 GEADLO Ic1cnc(C[NH2+]C[C@H]2CN3CCCC[C@H]3CO2)s1 ZINC000375761251 532581978 /nfs/dbraw/zinc/58/19/78/532581978.db2.gz HGRRQEKPGUYGLO-QWRGUYRKSA-N 1 2 393.294 2.091 20 0 GEADLO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)cc1Cl ZINC000261990412 532582185 /nfs/dbraw/zinc/58/21/85/532582185.db2.gz KELLWUULJBCFJT-AWEZNQCLSA-N 1 2 389.308 2.371 20 0 GEADLO CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000632501637 532614973 /nfs/dbraw/zinc/61/49/73/532614973.db2.gz FENMBAVQOKFRFL-UONOGXRCSA-N 1 2 382.517 2.477 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000566535198 532615159 /nfs/dbraw/zinc/61/51/59/532615159.db2.gz WSKAHZBQGZNKLE-UHFFFAOYSA-N 1 2 396.738 2.121 20 0 GEADLO COc1cc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc(Br)c1OC ZINC000263107546 532615661 /nfs/dbraw/zinc/61/56/61/532615661.db2.gz ACIPQZYIEJLGFN-JTQLQIEISA-N 1 2 379.201 2.080 20 0 GEADLO CCOc1ccc(S(=O)(=O)NCCc2c[nH+]cn2C)cc1Br ZINC000566653760 532622127 /nfs/dbraw/zinc/62/21/27/532622127.db2.gz ZKVJSNBFMJDFDF-UHFFFAOYSA-N 1 2 388.287 2.102 20 0 GEADLO Cc1[nH+]ccc(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c1Cl ZINC000530155809 532617786 /nfs/dbraw/zinc/61/77/86/532617786.db2.gz KMRLVHGHDGOYNO-UHFFFAOYSA-N 1 2 377.853 2.101 20 0 GEADLO Cn1cc[nH+]c1[C@@H](CC(=O)NCc1ccc(S(C)(=O)=O)s1)C(F)(F)F ZINC000566628795 532620774 /nfs/dbraw/zinc/62/07/74/532620774.db2.gz JVQGKOOJRHOMCS-SNVBAGLBSA-N 1 2 395.428 2.238 20 0 GEADLO C[C@H]1[NH2+]CCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)[C@@H]1C ZINC000434666588 532597762 /nfs/dbraw/zinc/59/77/62/532597762.db2.gz TZQFLZCBLIZDFZ-CHWSQXEVSA-N 1 2 379.507 2.371 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)c2cscc2Br)C[C@H](C)O1 ZINC000632287886 532597951 /nfs/dbraw/zinc/59/79/51/532597951.db2.gz ZYIBZJBDSQWLEJ-PHIMTYICSA-N 1 2 397.360 2.240 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)c2cscc2Br)C[C@H](C)O1 ZINC000632287886 532597956 /nfs/dbraw/zinc/59/79/56/532597956.db2.gz ZYIBZJBDSQWLEJ-PHIMTYICSA-N 1 2 397.360 2.240 20 0 GEADLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc2c(cc1Br)OCCO2 ZINC000434711986 532600438 /nfs/dbraw/zinc/60/04/38/532600438.db2.gz TXUVCZCYHBEGKR-CYBMUJFWSA-N 1 2 385.302 2.373 20 0 GEADLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cc2c(cc1Br)OCCO2 ZINC000434711986 532600442 /nfs/dbraw/zinc/60/04/42/532600442.db2.gz TXUVCZCYHBEGKR-CYBMUJFWSA-N 1 2 385.302 2.373 20 0 GEADLO C[C@H]1C[C@@H](NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC[NH2+]1 ZINC000262893722 532605434 /nfs/dbraw/zinc/60/54/34/532605434.db2.gz OUDIMRWUFRPJSE-JSGCOSHPSA-N 1 2 379.507 2.419 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000474073908 532606651 /nfs/dbraw/zinc/60/66/51/532606651.db2.gz OFKXWQCDCUSTJE-UHFFFAOYSA-N 1 2 389.315 2.235 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(F)c(Br)c1)C2 ZINC000566343414 532607024 /nfs/dbraw/zinc/60/70/24/532607024.db2.gz SNUBTBHNHKVGKA-GFCCVEGCSA-N 1 2 396.260 2.373 20 0 GEADLO O=S(=O)(Cc1c(F)cccc1Cl)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000632385436 532607762 /nfs/dbraw/zinc/60/77/62/532607762.db2.gz IJPCPFGCJPIIDA-ZDUSSCGKSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000632384236 532608277 /nfs/dbraw/zinc/60/82/77/532608277.db2.gz AIAWGBNRRLEKJK-HNNXBMFYSA-N 1 2 376.881 2.106 20 0 GEADLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)n1 ZINC000656184807 532608672 /nfs/dbraw/zinc/60/86/72/532608672.db2.gz PCQUPUIFBQDTEW-UHFFFAOYSA-N 1 2 382.511 2.193 20 0 GEADLO CC[C@H](CSC)N(C)C(=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000297884290 532609768 /nfs/dbraw/zinc/60/97/68/532609768.db2.gz VAAIXEZIVDFTEM-LLVKDONJSA-N 1 2 380.436 2.004 20 0 GEADLO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263019673 532610362 /nfs/dbraw/zinc/61/03/62/532610362.db2.gz QSOIODBVELTBOG-ZDUSSCGKSA-N 1 2 392.233 2.275 20 0 GEADLO CNC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)c1ccccc1 ZINC000284691434 532610542 /nfs/dbraw/zinc/61/05/42/532610542.db2.gz HYZZYEAUTZUNRT-YSVLISHTSA-N 1 2 384.307 2.106 20 0 GEADLO CNC(=O)[C@H](NC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)c1ccccc1 ZINC000284691434 532610549 /nfs/dbraw/zinc/61/05/49/532610549.db2.gz HYZZYEAUTZUNRT-YSVLISHTSA-N 1 2 384.307 2.106 20 0 GEADLO O=S(=O)(C1CC1)N1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000529639690 532610610 /nfs/dbraw/zinc/61/06/10/532610610.db2.gz JHTDNZWUKDMTNU-UHFFFAOYSA-N 1 2 380.901 2.340 20 0 GEADLO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000656259584 532611007 /nfs/dbraw/zinc/61/10/07/532611007.db2.gz ARVNXNMIQCDKJA-OAHLLOKOSA-N 1 2 382.917 2.300 20 0 GEADLO Cc1nn(-c2ccccc2Cl)cc1C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000656259584 532611018 /nfs/dbraw/zinc/61/10/18/532611018.db2.gz ARVNXNMIQCDKJA-OAHLLOKOSA-N 1 2 382.917 2.300 20 0 GEADLO O=C(c1cc2sccc2s1)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263017368 532611411 /nfs/dbraw/zinc/61/14/11/532611411.db2.gz QNCBGYMBZOHKEF-JTQLQIEISA-N 1 2 385.461 2.244 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000474301244 532611553 /nfs/dbraw/zinc/61/15/53/532611553.db2.gz CFBNYNBMNYBDGO-AWEZNQCLSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000474301244 532611558 /nfs/dbraw/zinc/61/15/58/532611558.db2.gz CFBNYNBMNYBDGO-AWEZNQCLSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000297912293 532612259 /nfs/dbraw/zinc/61/22/59/532612259.db2.gz PSNRIVISINSZGY-GFCCVEGCSA-N 1 2 384.889 2.418 20 0 GEADLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000297912293 532612264 /nfs/dbraw/zinc/61/22/64/532612264.db2.gz PSNRIVISINSZGY-GFCCVEGCSA-N 1 2 384.889 2.418 20 0 GEADLO O=S(=O)(c1onc(C2CC2)c1Cl)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000632539829 532623032 /nfs/dbraw/zinc/62/30/32/532623032.db2.gz QFZXAJRAJQYNPS-CYBMUJFWSA-N 1 2 389.905 2.081 20 0 GEADLO Cn1cc(C[NH+]2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)cn1 ZINC000436112430 532627309 /nfs/dbraw/zinc/62/73/09/532627309.db2.gz FDRHDVGAPWEOTP-UHFFFAOYSA-N 1 2 382.295 2.483 20 0 GEADLO C[C@H](O)CNc1cc(N2CCN(c3ncc(Cl)cc3Cl)CC2)nc[nH+]1 ZINC000298127682 532627474 /nfs/dbraw/zinc/62/74/74/532627474.db2.gz BZSKPMLULRELMJ-NSHDSACASA-N 1 2 383.283 2.298 20 0 GEADLO C[C@H](O)CNc1cc(N2CCN(c3ncc(Cl)cc3Cl)CC2)[nH+]cn1 ZINC000298127682 532627478 /nfs/dbraw/zinc/62/74/78/532627478.db2.gz BZSKPMLULRELMJ-NSHDSACASA-N 1 2 383.283 2.298 20 0 GEADLO O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)sc1Cl ZINC000566915707 532630004 /nfs/dbraw/zinc/63/00/04/532630004.db2.gz NYTXQFVDHKKDMB-LURJTMIESA-N 1 2 395.678 2.440 20 0 GEADLO O=C(NCc1cn2ccsc2n1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000263643896 532632032 /nfs/dbraw/zinc/63/20/32/532632032.db2.gz DTOCAPDJARVTRM-UHFFFAOYSA-N 1 2 376.511 2.270 20 0 GEADLO O=C(NCc1cn2ccsc2n1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000263643896 532632037 /nfs/dbraw/zinc/63/20/37/532632037.db2.gz DTOCAPDJARVTRM-UHFFFAOYSA-N 1 2 376.511 2.270 20 0 GEADLO C[C@H]([C@H](C)N1C(=O)N[C@@H](c2ccccc2Br)C1=O)[NH+]1CCOCC1 ZINC000656802502 532633395 /nfs/dbraw/zinc/63/33/95/532633395.db2.gz DETFTOSCEUPABR-XUJVJEKNSA-N 1 2 396.285 2.151 20 0 GEADLO CO[C@@H](c1ccc(Br)cc1)[C@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000436414885 532633909 /nfs/dbraw/zinc/63/39/09/532633909.db2.gz QGRIQRXQLFPBET-TVQRCGJNSA-N 1 2 391.273 2.896 20 0 GEADLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000475012042 532635540 /nfs/dbraw/zinc/63/55/40/532635540.db2.gz DWOCBSXVXHKNNQ-UHFFFAOYSA-N 1 2 384.841 2.363 20 0 GEADLO Cc1nnc(COCC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000284985681 532636857 /nfs/dbraw/zinc/63/68/57/532636857.db2.gz MIEGUMCUIGLVJD-UHFFFAOYSA-N 1 2 380.901 2.361 20 0 GEADLO CS[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000284991235 532637088 /nfs/dbraw/zinc/63/70/88/532637088.db2.gz LNFOJLONBFTBBD-HUUCEWRRSA-N 1 2 381.567 2.013 20 0 GEADLO CS[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000284991235 532637095 /nfs/dbraw/zinc/63/70/95/532637095.db2.gz LNFOJLONBFTBBD-HUUCEWRRSA-N 1 2 381.567 2.013 20 0 GEADLO COCCC(=O)N1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000475153379 532638938 /nfs/dbraw/zinc/63/89/38/532638938.db2.gz GTKZRBUSNZHPEX-UHFFFAOYSA-N 1 2 395.297 2.406 20 0 GEADLO CS(=O)(=O)C1(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCCC1 ZINC000567070771 532639077 /nfs/dbraw/zinc/63/90/77/532639077.db2.gz GZCJDXKTLQIQDK-UHFFFAOYSA-N 1 2 384.889 2.144 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)Nc1nnc(SCc2ccccc2)s1 ZINC000298386917 532646516 /nfs/dbraw/zinc/64/65/16/532646516.db2.gz IBJKYXJIUFXDQP-UHFFFAOYSA-N 1 2 379.511 2.284 20 0 GEADLO CC(C)(CNS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)n1cc[nH+]c1 ZINC000632729889 532641815 /nfs/dbraw/zinc/64/18/15/532641815.db2.gz KLKRBTFUMJKJKY-UHFFFAOYSA-N 1 2 382.873 2.135 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000531911723 532642145 /nfs/dbraw/zinc/64/21/45/532642145.db2.gz ZAWPPQCKYMWOHI-JKSUJKDBSA-N 1 2 388.917 2.270 20 0 GEADLO C[C@@H]([NH2+]Cc1n[nH]cc1Br)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000531968797 532642259 /nfs/dbraw/zinc/64/22/59/532642259.db2.gz IMMHYEKGKQABRI-SNVBAGLBSA-N 1 2 387.303 2.273 20 0 GEADLO C[C@@H](CNC(=O)CCCOc1ccccc1Br)[NH+]1CCN(C)CC1 ZINC000263812028 532642497 /nfs/dbraw/zinc/64/24/97/532642497.db2.gz XCZYWTVDDIVSEU-HNNXBMFYSA-N 1 2 398.345 2.360 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC(C)(C)n2cc[nH+]c2)cc1Cl ZINC000632731721 532642916 /nfs/dbraw/zinc/64/29/16/532642916.db2.gz WIDWLZJDUBCRSL-UHFFFAOYSA-N 1 2 388.852 2.348 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)CCC(=O)Nc1cccc(Br)c1 ZINC000532077252 532644652 /nfs/dbraw/zinc/64/46/52/532644652.db2.gz OOSQOVVDHFKBNW-UHFFFAOYSA-N 1 2 386.271 2.126 20 0 GEADLO CC[C@@]1(C)CC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000532090316 532645540 /nfs/dbraw/zinc/64/55/40/532645540.db2.gz INEWCYLAXKJDEM-QAPCUYQASA-N 1 2 384.567 2.386 20 0 GEADLO CC[C@@]1(C)CC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000532090316 532645547 /nfs/dbraw/zinc/64/55/47/532645547.db2.gz INEWCYLAXKJDEM-QAPCUYQASA-N 1 2 384.567 2.386 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000567734344 532660310 /nfs/dbraw/zinc/66/03/10/532660310.db2.gz DLKGGAKSCBZPQT-MRXNPFEDSA-N 1 2 386.470 2.010 20 0 GEADLO CN(C)C(=O)c1cccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000478940821 532661948 /nfs/dbraw/zinc/66/19/48/532661948.db2.gz SJSKFWZQIUAGDV-MRXNPFEDSA-N 1 2 390.281 2.467 20 0 GEADLO Cc1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)ccc1Br ZINC000478927654 532663153 /nfs/dbraw/zinc/66/31/53/532663153.db2.gz OEJBPLNCMGGXRY-MRXNPFEDSA-N 1 2 397.313 2.321 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000533492043 532664419 /nfs/dbraw/zinc/66/44/19/532664419.db2.gz DGXJTMURSXZVAQ-AWEZNQCLSA-N 1 2 385.249 2.281 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc(I)cc2)C1 ZINC000533492043 532664424 /nfs/dbraw/zinc/66/44/24/532664424.db2.gz DGXJTMURSXZVAQ-AWEZNQCLSA-N 1 2 385.249 2.281 20 0 GEADLO Cc1ccc([C@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000437834697 532664897 /nfs/dbraw/zinc/66/48/97/532664897.db2.gz BKWSZADCZCDDNY-UWWQBHOKSA-N 1 2 384.567 2.023 20 0 GEADLO Cc1ccc([C@H](NC(=O)C[N@@H+](C)[C@H]2CCSC2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000437834697 532664903 /nfs/dbraw/zinc/66/49/03/532664903.db2.gz BKWSZADCZCDDNY-UWWQBHOKSA-N 1 2 384.567 2.023 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)[C@@H](C)[NH+]1CCOCC1 ZINC000264175544 532665048 /nfs/dbraw/zinc/66/50/48/532665048.db2.gz AKEXTFQFMLETGY-VXGBXAGGSA-N 1 2 399.285 2.059 20 0 GEADLO CC[NH+]1CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC1 ZINC000298655521 532667420 /nfs/dbraw/zinc/66/74/20/532667420.db2.gz AQOFCJITRXJSRN-UHFFFAOYSA-N 1 2 379.507 2.327 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1Cl ZINC000285304951 532668313 /nfs/dbraw/zinc/66/83/13/532668313.db2.gz QMYIJSYATJTBTP-HUUCEWRRSA-N 1 2 386.279 2.172 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1Cl ZINC000285304951 532668318 /nfs/dbraw/zinc/66/83/18/532668318.db2.gz QMYIJSYATJTBTP-HUUCEWRRSA-N 1 2 386.279 2.172 20 0 GEADLO CCN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000263907068 532648390 /nfs/dbraw/zinc/64/83/90/532648390.db2.gz KZPYFNOLGGBOJE-AWEZNQCLSA-N 1 2 386.543 2.170 20 0 GEADLO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCc3cccc(Br)c3C2)C[C@H](C)O1 ZINC000532313208 532649085 /nfs/dbraw/zinc/64/90/85/532649085.db2.gz OWYUPHXDIYLTKP-LZWOXQAQSA-N 1 2 383.330 2.277 20 0 GEADLO C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCc3cccc(Br)c3C2)C[C@H](C)O1 ZINC000532313208 532649086 /nfs/dbraw/zinc/64/90/86/532649086.db2.gz OWYUPHXDIYLTKP-LZWOXQAQSA-N 1 2 383.330 2.277 20 0 GEADLO O=C(Cc1ccc(Br)cc1O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000477371733 532649306 /nfs/dbraw/zinc/64/93/06/532649306.db2.gz IWHAUEFKJALQGD-HNNXBMFYSA-N 1 2 383.286 2.020 20 0 GEADLO CN(C)C(=O)c1cccc(CNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000263938164 532651084 /nfs/dbraw/zinc/65/10/84/532651084.db2.gz DCISGQBHCSBDLG-UHFFFAOYSA-N 1 2 389.257 2.440 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000263959121 532652577 /nfs/dbraw/zinc/65/25/77/532652577.db2.gz NZQKCTGBHNEONB-QMMMGPOBSA-N 1 2 393.211 2.422 20 0 GEADLO C[C@H](C(=O)NCc1cccs1)S(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437245186 532653460 /nfs/dbraw/zinc/65/34/60/532653460.db2.gz IYRQCZCOAAJCCL-SNVBAGLBSA-N 1 2 395.428 2.127 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)Nc1cc(Br)ccc1OC ZINC000437294752 532654559 /nfs/dbraw/zinc/65/45/59/532654559.db2.gz SHPBYNIUANPXLP-UHFFFAOYSA-N 1 2 380.198 2.439 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]2CCCO2)C1 ZINC000534098381 532669494 /nfs/dbraw/zinc/66/94/94/532669494.db2.gz MPGSQQVQIJYAOM-KBPBESRZSA-N 1 2 387.885 2.237 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]2CCCO2)C1 ZINC000534098381 532669498 /nfs/dbraw/zinc/66/94/98/532669498.db2.gz MPGSQQVQIJYAOM-KBPBESRZSA-N 1 2 387.885 2.237 20 0 GEADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000567490299 532655707 /nfs/dbraw/zinc/65/57/07/532655707.db2.gz GHNQSHGRGFIPHH-HOCLYGCPSA-N 1 2 384.567 2.341 20 0 GEADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000567490299 532655710 /nfs/dbraw/zinc/65/57/10/532655710.db2.gz GHNQSHGRGFIPHH-HOCLYGCPSA-N 1 2 384.567 2.341 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCOc3ccc(Br)cc3C2)nc[nH+]1 ZINC000298525443 532656265 /nfs/dbraw/zinc/65/62/65/532656265.db2.gz CDDVSXHECDRGLE-LLVKDONJSA-N 1 2 379.258 2.431 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCOc3ccc(Br)cc3C2)[nH+]cn1 ZINC000298525443 532656271 /nfs/dbraw/zinc/65/62/71/532656271.db2.gz CDDVSXHECDRGLE-LLVKDONJSA-N 1 2 379.258 2.431 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000285478936 532684889 /nfs/dbraw/zinc/68/48/89/532684889.db2.gz OLBSYWLFOONMHK-ZDUSSCGKSA-N 1 2 398.320 2.372 20 0 GEADLO CN1CCC[C@@H]([NH+]2CCN(Cc3cc(Br)ccc3F)CC2)C1=O ZINC000535713020 532685560 /nfs/dbraw/zinc/68/55/60/532685560.db2.gz LZHAGHGQEODJOZ-MRXNPFEDSA-N 1 2 384.293 2.327 20 0 GEADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@]2(CCOC2)O1 ZINC000483176296 532674837 /nfs/dbraw/zinc/67/48/37/532674837.db2.gz XCRPFPYBCIYUNA-QBIMZIAESA-N 1 2 395.297 2.434 20 0 GEADLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@]2(CCOC2)O1 ZINC000483176296 532674845 /nfs/dbraw/zinc/67/48/45/532674845.db2.gz XCRPFPYBCIYUNA-QBIMZIAESA-N 1 2 395.297 2.434 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000660854690 532676583 /nfs/dbraw/zinc/67/65/83/532676583.db2.gz BCWVIMMDMMDKSU-FZMZJTMJSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000660854690 532676590 /nfs/dbraw/zinc/67/65/90/532676590.db2.gz BCWVIMMDMMDKSU-FZMZJTMJSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000660854689 532677423 /nfs/dbraw/zinc/67/74/23/532677423.db2.gz BCWVIMMDMMDKSU-BXUZGUMPSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000660854689 532677428 /nfs/dbraw/zinc/67/74/28/532677428.db2.gz BCWVIMMDMMDKSU-BXUZGUMPSA-N 1 2 376.284 2.047 20 0 GEADLO COc1cc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)o2)c(SC)cc1OC ZINC000638110288 532679309 /nfs/dbraw/zinc/67/93/09/532679309.db2.gz KMRYHRMHKQAMFV-UHFFFAOYSA-N 1 2 386.495 2.298 20 0 GEADLO COc1cc(C[N@@H+](C)Cc2ccc(S(N)(=O)=O)o2)c(SC)cc1OC ZINC000638110288 532679314 /nfs/dbraw/zinc/67/93/14/532679314.db2.gz KMRYHRMHKQAMFV-UHFFFAOYSA-N 1 2 386.495 2.298 20 0 GEADLO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661112192 532679320 /nfs/dbraw/zinc/67/93/20/532679320.db2.gz IZGJRHLGCPAKBB-UKPHBRMFSA-N 1 2 394.313 2.421 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000438959872 532679939 /nfs/dbraw/zinc/67/99/39/532679939.db2.gz AUNACQQMDOQBMS-MCIONIFRSA-N 1 2 379.258 2.464 20 0 GEADLO Cc1cc(NC(=O)C[NH+]2CCN(c3ccc(Br)cc3)CC2)n(C)n1 ZINC000661575732 532681097 /nfs/dbraw/zinc/68/10/97/532681097.db2.gz AZPFEDYRKKLTPQ-UHFFFAOYSA-N 1 2 392.301 2.252 20 0 GEADLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000535566308 532682926 /nfs/dbraw/zinc/68/29/26/532682926.db2.gz LEQQLEYAIWSVOW-QGZVFWFLSA-N 1 2 398.301 2.005 20 0 GEADLO CC[C@]1(C)COCC[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000535566308 532682936 /nfs/dbraw/zinc/68/29/36/532682936.db2.gz LEQQLEYAIWSVOW-QGZVFWFLSA-N 1 2 398.301 2.005 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CCSC[C@@H]2C2CC2)cc1Br ZINC000639231582 532691764 /nfs/dbraw/zinc/69/17/64/532691764.db2.gz PQSVRVFZNJUEQX-CYBMUJFWSA-N 1 2 391.356 2.424 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1Br ZINC000639231582 532691771 /nfs/dbraw/zinc/69/17/71/532691771.db2.gz PQSVRVFZNJUEQX-CYBMUJFWSA-N 1 2 391.356 2.424 20 0 GEADLO COc1cccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1OC(F)F ZINC000378371025 532692835 /nfs/dbraw/zinc/69/28/35/532692835.db2.gz NCLAXVULLYWVRI-CYBMUJFWSA-N 1 2 378.441 2.199 20 0 GEADLO COc1cccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1OC(F)F ZINC000378371025 532692837 /nfs/dbraw/zinc/69/28/37/532692837.db2.gz NCLAXVULLYWVRI-CYBMUJFWSA-N 1 2 378.441 2.199 20 0 GEADLO COC(=O)C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000439450150 532694745 /nfs/dbraw/zinc/69/47/45/532694745.db2.gz JPXSBEXEXCYMMJ-CYBMUJFWSA-N 1 2 378.238 2.211 20 0 GEADLO COC(=O)C[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000439450150 532694751 /nfs/dbraw/zinc/69/47/51/532694751.db2.gz JPXSBEXEXCYMMJ-CYBMUJFWSA-N 1 2 378.238 2.211 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000299083555 532694837 /nfs/dbraw/zinc/69/48/37/532694837.db2.gz SKBKBMWHSPMBTI-NSHDSACASA-N 1 2 375.479 2.401 20 0 GEADLO O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378511386 532697695 /nfs/dbraw/zinc/69/76/95/532697695.db2.gz AAQLHOGFXQWPNS-ZDUSSCGKSA-N 1 2 382.873 2.095 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000666690198 532701054 /nfs/dbraw/zinc/70/10/54/532701054.db2.gz FNVOIYSKNAEUIE-UHFFFAOYSA-N 1 2 380.246 2.213 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000439848496 532702450 /nfs/dbraw/zinc/70/24/50/532702450.db2.gz FCRYRGCKCRMTDF-MRVPVSSYSA-N 1 2 392.656 2.343 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000439848496 532702454 /nfs/dbraw/zinc/70/24/54/532702454.db2.gz FCRYRGCKCRMTDF-MRVPVSSYSA-N 1 2 392.656 2.343 20 0 GEADLO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000265038228 532687428 /nfs/dbraw/zinc/68/74/28/532687428.db2.gz YKVIZXHVVMXKRC-UHFFFAOYSA-N 1 2 376.400 2.290 20 0 GEADLO CSc1ccc(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 ZINC000439277359 532687737 /nfs/dbraw/zinc/68/77/37/532687737.db2.gz WIFSXCQNMFWKJS-UHFFFAOYSA-N 1 2 397.488 2.359 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2c(Cl)cccc2C(=O)OC)CC1 ZINC000285536337 532689534 /nfs/dbraw/zinc/68/95/34/532689534.db2.gz HGNMOBQNRAHDDT-UHFFFAOYSA-N 1 2 388.917 2.373 20 0 GEADLO COc1cc(Br)cc(NC(=O)C(=O)Nc2c[nH+]ccc2OC)c1 ZINC000439322461 532689981 /nfs/dbraw/zinc/68/99/81/532689981.db2.gz VUPRIYCMTGRHFY-UHFFFAOYSA-N 1 2 380.198 2.439 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1)c1ccc(Br)cc1 ZINC000391100366 532706165 /nfs/dbraw/zinc/70/61/65/532706165.db2.gz UUOCDLNAXCEOQW-DOMZBBRYSA-N 1 2 385.302 2.098 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1)c1ccc(Br)cc1 ZINC000391100366 532706168 /nfs/dbraw/zinc/70/61/68/532706168.db2.gz UUOCDLNAXCEOQW-DOMZBBRYSA-N 1 2 385.302 2.098 20 0 GEADLO O=S(=O)(c1ccccc1C(F)(F)F)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266208458 532706872 /nfs/dbraw/zinc/70/68/72/532706872.db2.gz PYHHCQSSZOWKFN-ZDUSSCGKSA-N 1 2 378.416 2.048 20 0 GEADLO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000607937395 532706949 /nfs/dbraw/zinc/70/69/49/532706949.db2.gz XKIXNAGGLPOPOL-CQSZACIVSA-N 1 2 383.279 2.117 20 0 GEADLO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2sc(C)cc2Br)C1 ZINC000608023572 532707381 /nfs/dbraw/zinc/70/73/81/532707381.db2.gz AIKQCVQZOPKZMD-NSHDSACASA-N 1 2 397.360 2.208 20 0 GEADLO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2sc(C)cc2Br)C1 ZINC000608023572 532707386 /nfs/dbraw/zinc/70/73/86/532707386.db2.gz AIKQCVQZOPKZMD-NSHDSACASA-N 1 2 397.360 2.208 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667746178 532707746 /nfs/dbraw/zinc/70/77/46/532707746.db2.gz NXKLCRQNHSTLSU-LLVKDONJSA-N 1 2 391.269 2.340 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667746178 532707748 /nfs/dbraw/zinc/70/77/48/532707748.db2.gz NXKLCRQNHSTLSU-LLVKDONJSA-N 1 2 391.269 2.340 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)Cc3ccc(Br)cc3F)CC2)cn1 ZINC000668368216 532711309 /nfs/dbraw/zinc/71/13/09/532711309.db2.gz VKNAHAHRXXKUDK-UHFFFAOYSA-N 1 2 395.276 2.209 20 0 GEADLO Cc1cc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c(F)cc1F ZINC000440414807 532713127 /nfs/dbraw/zinc/71/31/27/532713127.db2.gz KZWJAWURKRAQHD-CHWSQXEVSA-N 1 2 376.469 2.439 20 0 GEADLO CC(=O)N[C@H](C(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CCCC1 ZINC000492219353 532713264 /nfs/dbraw/zinc/71/32/64/532713264.db2.gz GHAZVMFLRVRYRZ-INIZCTEOSA-N 1 2 393.285 2.408 20 0 GEADLO COCC[N@H+](CC(=O)NC1CCOCC1)Cc1ccc(Br)s1 ZINC000494219883 532714052 /nfs/dbraw/zinc/71/40/52/532714052.db2.gz MMQBIEDMFDCLBW-UHFFFAOYSA-N 1 2 391.331 2.254 20 0 GEADLO COCC[N@@H+](CC(=O)NC1CCOCC1)Cc1ccc(Br)s1 ZINC000494219883 532714056 /nfs/dbraw/zinc/71/40/56/532714056.db2.gz MMQBIEDMFDCLBW-UHFFFAOYSA-N 1 2 391.331 2.254 20 0 GEADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000299513605 532722664 /nfs/dbraw/zinc/72/26/64/532722664.db2.gz FXUVWTLZXHIWQO-OAHLLOKOSA-N 1 2 391.269 2.067 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@]34CCc3cc(Br)ccc34)C[C@H]21 ZINC000409826143 532728267 /nfs/dbraw/zinc/72/82/67/532728267.db2.gz DFLYTMPIAXUQAC-DODZYUBVSA-N 1 2 391.309 2.194 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@]34CCc3cc(Br)ccc34)C[C@H]21 ZINC000409826143 532728270 /nfs/dbraw/zinc/72/82/70/532728270.db2.gz DFLYTMPIAXUQAC-DODZYUBVSA-N 1 2 391.309 2.194 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1c(F)ccc(Br)c1F ZINC000409960513 532731171 /nfs/dbraw/zinc/73/11/71/532731171.db2.gz RPHLMHCHHGXLQX-NSHDSACASA-N 1 2 391.256 2.449 20 0 GEADLO Cc1cc[nH+]cc1N1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000500692251 532732604 /nfs/dbraw/zinc/73/26/04/532732604.db2.gz ZROMRLHEYFDNQA-UHFFFAOYSA-N 1 2 396.232 2.285 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCc1ccc(NC(N)=O)cc1 ZINC000301162852 532743051 /nfs/dbraw/zinc/74/30/51/532743051.db2.gz QBUSRVALCJBEEP-UHFFFAOYSA-N 1 2 376.218 2.229 20 0 GEADLO O=S(=O)(c1cc(Cl)sc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267510711 532743181 /nfs/dbraw/zinc/74/31/81/532743181.db2.gz PWMYSKRBRZEKJO-SNVBAGLBSA-N 1 2 385.338 2.398 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000443224046 532743168 /nfs/dbraw/zinc/74/31/68/532743168.db2.gz PNAAGZWIXSAZSS-UHFFFAOYSA-N 1 2 380.246 2.309 20 0 GEADLO CCN(CC)C(=O)C[N@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000503233017 532745280 /nfs/dbraw/zinc/74/52/80/532745280.db2.gz JCSIIDYWCLDDSF-UHFFFAOYSA-N 1 2 390.347 2.317 20 0 GEADLO CCN(CC)C(=O)C[N@@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000503233017 532745284 /nfs/dbraw/zinc/74/52/84/532745284.db2.gz JCSIIDYWCLDDSF-UHFFFAOYSA-N 1 2 390.347 2.317 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000580443922 532747186 /nfs/dbraw/zinc/74/71/86/532747186.db2.gz CGKFRISMFMTXLX-SNVBAGLBSA-N 1 2 399.676 2.120 20 0 GEADLO O=C(CNC(=O)NCCCCn1cc[nH+]c1)Nc1cccc(Br)c1 ZINC000540903622 532747480 /nfs/dbraw/zinc/74/74/80/532747480.db2.gz JNTIPDHYHMEVGC-UHFFFAOYSA-N 1 2 394.273 2.364 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000615470012 532747754 /nfs/dbraw/zinc/74/77/54/532747754.db2.gz FUOKWSLGGKPTMF-UHFFFAOYSA-N 1 2 378.435 2.225 20 0 GEADLO CS(=O)(=O)c1nnc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000286225669 532735644 /nfs/dbraw/zinc/73/56/44/532735644.db2.gz RBWSZBMRPAOSRP-YPMHNXCESA-N 1 2 391.877 2.354 20 0 GEADLO Cn1cc(Br)cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1=O ZINC000674385660 532736052 /nfs/dbraw/zinc/73/60/52/532736052.db2.gz QMLNLQLZBJGMMA-GFCCVEGCSA-N 1 2 380.246 2.213 20 0 GEADLO Cn1cc(Br)cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1=O ZINC000674385664 532736719 /nfs/dbraw/zinc/73/67/19/532736719.db2.gz QMLNLQLZBJGMMA-LBPRGKRZSA-N 1 2 380.246 2.213 20 0 GEADLO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N(C)C)[nH+]c2)cc1Cl ZINC000267166051 532736959 /nfs/dbraw/zinc/73/69/59/532736959.db2.gz HOWOAROLVYKUMC-UHFFFAOYSA-N 1 2 382.873 2.238 20 0 GEADLO O=C(CCc1cc(Br)ccc1F)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614503394 532738129 /nfs/dbraw/zinc/73/81/29/532738129.db2.gz OKHUWASJMTUODJ-OAHLLOKOSA-N 1 2 384.293 2.027 20 0 GEADLO O=C(CCc1cc(Br)ccc1F)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614503394 532738132 /nfs/dbraw/zinc/73/81/32/532738132.db2.gz OKHUWASJMTUODJ-OAHLLOKOSA-N 1 2 384.293 2.027 20 0 GEADLO CCN(Cc1cccs1)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000301069629 532739502 /nfs/dbraw/zinc/73/95/02/532739502.db2.gz TXGUYUPNVMKOHM-UHFFFAOYSA-N 1 2 380.539 2.106 20 0 GEADLO O=C(CCCc1ccccc1Br)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614506006 532740030 /nfs/dbraw/zinc/74/00/30/532740030.db2.gz CWRVBDBBWYFADO-MRXNPFEDSA-N 1 2 380.330 2.278 20 0 GEADLO O=C(CCCc1ccccc1Br)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614506006 532740036 /nfs/dbraw/zinc/74/00/36/532740036.db2.gz CWRVBDBBWYFADO-MRXNPFEDSA-N 1 2 380.330 2.278 20 0 GEADLO O=S(=O)(c1ccoc1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000286350595 532741620 /nfs/dbraw/zinc/74/16/20/532741620.db2.gz JAKKDGRIVFNXEK-UHFFFAOYSA-N 1 2 380.857 2.087 20 0 GEADLO CC(=O)N(c1nc(C[NH2+]C[C@@H](C)S(C)(=O)=O)cs1)c1ccc(F)cc1 ZINC000540627136 532741662 /nfs/dbraw/zinc/74/16/62/532741662.db2.gz FFAWYLABGFBGPL-LLVKDONJSA-N 1 2 385.486 2.490 20 0 GEADLO Cn1c2ccccc2[nH+]c1CCCNc1cnn(C)c(=O)c1Br ZINC000301579435 532754334 /nfs/dbraw/zinc/75/43/34/532754334.db2.gz ZWWWZRKFJUSXLS-UHFFFAOYSA-N 1 2 376.258 2.474 20 0 GEADLO CS(=O)(=O)N1CCCc2cc(-c3csc([C@@H]4COCC[NH2+]4)n3)ccc21 ZINC000446148193 532754423 /nfs/dbraw/zinc/75/44/23/532754423.db2.gz UIXDJVLWCGXPTM-AWEZNQCLSA-N 1 2 379.507 2.183 20 0 GEADLO COCC[N@@H+]1CC[C@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000541555952 532756177 /nfs/dbraw/zinc/75/61/77/532756177.db2.gz QHKFVIQKSUMBDV-AWEZNQCLSA-N 1 2 380.290 2.045 20 0 GEADLO COCC[N@H+]1CC[C@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000541555952 532756180 /nfs/dbraw/zinc/75/61/80/532756180.db2.gz QHKFVIQKSUMBDV-AWEZNQCLSA-N 1 2 380.290 2.045 20 0 GEADLO COCCN1CC[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000541555952 532756182 /nfs/dbraw/zinc/75/61/82/532756182.db2.gz QHKFVIQKSUMBDV-AWEZNQCLSA-N 1 2 380.290 2.045 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000507145876 532756646 /nfs/dbraw/zinc/75/66/46/532756646.db2.gz NFADEDJKXXHUDV-CQSZACIVSA-N 1 2 397.313 2.327 20 0 GEADLO Cc1[nH+]ccn1-c1cncc(NCCNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000301966952 532763293 /nfs/dbraw/zinc/76/32/93/532763293.db2.gz ZEEKCFHMCWUJIG-UHFFFAOYSA-N 1 2 398.901 2.076 20 0 GEADLO CSc1ccc(OC[C@H](O)C[NH+]2CCN(c3nc(C)ns3)CC2)cc1 ZINC000411393493 532760552 /nfs/dbraw/zinc/76/05/52/532760552.db2.gz WTCQJPPVCOSXSD-CQSZACIVSA-N 1 2 380.539 2.130 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cc(N(C)C)c2)CCO1 ZINC000508580164 532762755 /nfs/dbraw/zinc/76/27/55/532762755.db2.gz RAVDJDAGICSMLP-MRXNPFEDSA-N 1 2 384.318 2.356 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc(N(C)C)c2)CCO1 ZINC000508580164 532762763 /nfs/dbraw/zinc/76/27/63/532762763.db2.gz RAVDJDAGICSMLP-MRXNPFEDSA-N 1 2 384.318 2.356 20 0 GEADLO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000444694988 532750509 /nfs/dbraw/zinc/75/05/09/532750509.db2.gz KZNSPFPHWZUVBU-VIFPVBQESA-N 1 2 399.822 2.200 20 0 GEADLO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000444694988 532750517 /nfs/dbraw/zinc/75/05/17/532750517.db2.gz KZNSPFPHWZUVBU-VIFPVBQESA-N 1 2 399.822 2.200 20 0 GEADLO CC1(C)OC[C@H]2C[C@]21C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000616148854 532751092 /nfs/dbraw/zinc/75/10/92/532751092.db2.gz WHFMULOSQCNYIP-PIGZYNQJSA-N 1 2 396.285 2.434 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000444696456 532751379 /nfs/dbraw/zinc/75/13/79/532751379.db2.gz IHICPFIBEHHTDL-BFHYXJOUSA-N 1 2 384.464 2.075 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CC[C@H](CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000444696456 532751383 /nfs/dbraw/zinc/75/13/83/532751383.db2.gz IHICPFIBEHHTDL-BFHYXJOUSA-N 1 2 384.464 2.075 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC000616208071 532752274 /nfs/dbraw/zinc/75/22/74/532752274.db2.gz SGDRVAGOLFDQBX-CABCVRRESA-N 1 2 379.258 2.014 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000506259336 532753315 /nfs/dbraw/zinc/75/33/15/532753315.db2.gz PSSBRRXWXNSNLF-GFCCVEGCSA-N 1 2 384.293 2.373 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCc1ccc([S@@](C)=O)cc1 ZINC000301544665 532753839 /nfs/dbraw/zinc/75/38/39/532753839.db2.gz OLZQDQGUDAPZAR-JOCHJYFZSA-N 1 2 380.271 2.475 20 0 GEADLO Nc1[nH+]cnc(NCc2ccccc2CS(=O)(=O)N2CCCC2)c1Cl ZINC000302865177 532775210 /nfs/dbraw/zinc/77/52/10/532775210.db2.gz XWHDJBBUJWPXAQ-UHFFFAOYSA-N 1 2 381.889 2.250 20 0 GEADLO Nc1nc[nH+]c(NCc2ccccc2CS(=O)(=O)N2CCCC2)c1Cl ZINC000302865177 532775214 /nfs/dbraw/zinc/77/52/14/532775214.db2.gz XWHDJBBUJWPXAQ-UHFFFAOYSA-N 1 2 381.889 2.250 20 0 GEADLO C[N@@H+]1CC[C@@H](Nc2ncc(S(N)(=O)=O)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302819123 532775225 /nfs/dbraw/zinc/77/52/25/532775225.db2.gz JFBBUKJIFIFGHT-DGCLKSJQSA-N 1 2 390.893 2.440 20 0 GEADLO C[N@H+]1CC[C@@H](Nc2ncc(S(N)(=O)=O)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302819123 532775227 /nfs/dbraw/zinc/77/52/27/532775227.db2.gz JFBBUKJIFIFGHT-DGCLKSJQSA-N 1 2 390.893 2.440 20 0 GEADLO CCOC1CC([N@H+](C)CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000286930872 532775600 /nfs/dbraw/zinc/77/56/00/532775600.db2.gz LDJWMVKWUAXDOP-UHFFFAOYSA-N 1 2 376.425 2.121 20 0 GEADLO CCOC1CC([N@@H+](C)CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000286930872 532775602 /nfs/dbraw/zinc/77/56/02/532775602.db2.gz LDJWMVKWUAXDOP-UHFFFAOYSA-N 1 2 376.425 2.121 20 0 GEADLO COC(=O)C1([NH2+]CCC(=O)Nc2ccc(Br)cc2)CCOCC1 ZINC000411800325 532775777 /nfs/dbraw/zinc/77/57/77/532775777.db2.gz XIOYBXCVKQOSCO-UHFFFAOYSA-N 1 2 385.258 2.090 20 0 GEADLO O=S(=O)(c1cncc(Br)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000309559764 532777288 /nfs/dbraw/zinc/77/72/88/532777288.db2.gz PUYUHLHSMCREOA-UHFFFAOYSA-N 1 2 396.310 2.351 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccccc1I ZINC000308684037 532777731 /nfs/dbraw/zinc/77/77/31/532777731.db2.gz URARPJGLCXROMI-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO CS(=O)(=O)c1cccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)c1 ZINC000542760180 532779217 /nfs/dbraw/zinc/77/92/17/532779217.db2.gz KAGSSZRLKWEUJR-UHFFFAOYSA-N 1 2 394.396 2.243 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000286711325 532763751 /nfs/dbraw/zinc/76/37/51/532763751.db2.gz WTQQZRWPCZUJSW-OAHLLOKOSA-N 1 2 378.778 2.384 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000286711325 532763757 /nfs/dbraw/zinc/76/37/57/532763757.db2.gz WTQQZRWPCZUJSW-OAHLLOKOSA-N 1 2 378.778 2.384 20 0 GEADLO COC(=O)c1ccc(C[NH2+]Cc2ncc(I)s2)o1 ZINC000286716174 532763826 /nfs/dbraw/zinc/76/38/26/532763826.db2.gz WZJDJCOGDTWKIA-UHFFFAOYSA-N 1 2 378.191 2.417 20 0 GEADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nnnn1CCOCC(F)(F)F ZINC000451409034 532764270 /nfs/dbraw/zinc/76/42/70/532764270.db2.gz PFIFVQKBJZGBTP-UWVGGRQHSA-N 1 2 375.317 2.415 20 0 GEADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1nnnn1CCOCC(F)(F)F ZINC000451409034 532764275 /nfs/dbraw/zinc/76/42/75/532764275.db2.gz PFIFVQKBJZGBTP-UWVGGRQHSA-N 1 2 375.317 2.415 20 0 GEADLO CC[C@H](Cc1ccccc1Br)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000268468987 532765157 /nfs/dbraw/zinc/76/51/57/532765157.db2.gz PUYUNQPYYDJJPN-CVEARBPZSA-N 1 2 397.361 2.315 20 0 GEADLO CC[C@H](Cc1ccccc1Br)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000268468987 532765164 /nfs/dbraw/zinc/76/51/64/532765164.db2.gz PUYUNQPYYDJJPN-CVEARBPZSA-N 1 2 397.361 2.315 20 0 GEADLO NC(=O)CCCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000542196859 532766696 /nfs/dbraw/zinc/76/66/96/532766696.db2.gz OSZVAYJJAFSJQB-MRXNPFEDSA-N 1 2 382.302 2.358 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000509374425 532767614 /nfs/dbraw/zinc/76/76/14/532767614.db2.gz UOFOAMBMGUTMDM-ZDUSSCGKSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000509374425 532767617 /nfs/dbraw/zinc/76/76/17/532767617.db2.gz UOFOAMBMGUTMDM-ZDUSSCGKSA-N 1 2 386.901 2.127 20 0 GEADLO Cc1ccc(-c2csc(NC(=O)C(=O)NCCc3cn(C)c[nH+]3)n2)s1 ZINC000411600400 532769575 /nfs/dbraw/zinc/76/95/75/532769575.db2.gz XVYQSSHDIXBDQK-UHFFFAOYSA-N 1 2 375.479 2.211 20 0 GEADLO CN1CCN(c2cc(NCc3cc(Br)ccc3F)[nH+]cn2)CC1=O ZINC000302272608 532769899 /nfs/dbraw/zinc/76/98/99/532769899.db2.gz HFCHZWQAYKAHBM-UHFFFAOYSA-N 1 2 394.248 2.269 20 0 GEADLO CN1CCN(c2cc(NCc3cc(Br)ccc3F)nc[nH+]2)CC1=O ZINC000302272608 532769904 /nfs/dbraw/zinc/76/99/04/532769904.db2.gz HFCHZWQAYKAHBM-UHFFFAOYSA-N 1 2 394.248 2.269 20 0 GEADLO COC(=O)N1CCC([C@H](C)Nc2[nH+]cnc3c2c(Br)nn3C)CC1 ZINC000302478574 532770181 /nfs/dbraw/zinc/77/01/81/532770181.db2.gz QYMBDHGKTHWANQ-VIFPVBQESA-N 1 2 397.277 2.405 20 0 GEADLO CC(CCN1C[C@@H](C)[S@](=O)[C@@H](C)C1)CC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000411625347 532771131 /nfs/dbraw/zinc/77/11/31/532771131.db2.gz VYFOSJHMAWUQGI-CAGQATRXSA-N 1 2 376.632 2.085 20 0 GEADLO CC(CCN1C[C@@H](C)[S@](=O)[C@@H](C)C1)CC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000411625347 532771138 /nfs/dbraw/zinc/77/11/38/532771138.db2.gz VYFOSJHMAWUQGI-CAGQATRXSA-N 1 2 376.632 2.085 20 0 GEADLO O=C(N(CCO)CC[NH+]1CCOCC1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000513808918 532779763 /nfs/dbraw/zinc/77/97/63/532779763.db2.gz AZXIZGGUSXHDPU-UHFFFAOYSA-N 1 2 387.307 2.178 20 0 GEADLO Cc1c(Br)cccc1NC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000588985026 532773748 /nfs/dbraw/zinc/77/37/48/532773748.db2.gz YWJSNKGPIVMLGL-UHFFFAOYSA-N 1 2 377.242 2.319 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000286882702 532774333 /nfs/dbraw/zinc/77/43/33/532774333.db2.gz ODYFDWKNVXZLPJ-CQSZACIVSA-N 1 2 378.885 2.006 20 0 GEADLO C[C@H](c1ccccc1Br)[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411750453 532774387 /nfs/dbraw/zinc/77/43/87/532774387.db2.gz ZAZUHMSJGAEDRQ-CYBMUJFWSA-N 1 2 390.347 2.324 20 0 GEADLO C[C@H](c1ccccc1Br)[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411750453 532774391 /nfs/dbraw/zinc/77/43/91/532774391.db2.gz ZAZUHMSJGAEDRQ-CYBMUJFWSA-N 1 2 390.347 2.324 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC(F)(F)Br ZINC000286914565 532774688 /nfs/dbraw/zinc/77/46/88/532774688.db2.gz AMNZUEHUBJFBMG-UHFFFAOYSA-N 1 2 379.205 2.336 20 0 GEADLO C[C@@H]1CN(Cc2csc(CS(C)(=O)=O)n2)CC[N@@H+]1Cc1ccccc1 ZINC000411988768 532782503 /nfs/dbraw/zinc/78/25/03/532782503.db2.gz WAVFVFXCIPSUBT-OAHLLOKOSA-N 1 2 379.551 2.394 20 0 GEADLO C[C@@H]1CN(Cc2csc(CS(C)(=O)=O)n2)CC[N@H+]1Cc1ccccc1 ZINC000411988768 532782509 /nfs/dbraw/zinc/78/25/09/532782509.db2.gz WAVFVFXCIPSUBT-OAHLLOKOSA-N 1 2 379.551 2.394 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000456499231 532783316 /nfs/dbraw/zinc/78/33/16/532783316.db2.gz RDCYVANFDNANAP-AWEZNQCLSA-N 1 2 380.286 2.299 20 0 GEADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000456499231 532783321 /nfs/dbraw/zinc/78/33/21/532783321.db2.gz RDCYVANFDNANAP-AWEZNQCLSA-N 1 2 380.286 2.299 20 0 GEADLO CN1CC[N@H+](C)C[C@@H]1c1noc(CCOc2cccc(Br)c2)n1 ZINC000545794582 532784245 /nfs/dbraw/zinc/78/42/45/532784245.db2.gz QPPDJUCMJHACMY-CQSZACIVSA-N 1 2 381.274 2.372 20 0 GEADLO CN1CC[N@@H+](C)C[C@@H]1c1noc(CCOc2cccc(Br)c2)n1 ZINC000545794582 532784248 /nfs/dbraw/zinc/78/42/48/532784248.db2.gz QPPDJUCMJHACMY-CQSZACIVSA-N 1 2 381.274 2.372 20 0 GEADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)CSCc1ccc(Br)cc1 ZINC000457096227 532785613 /nfs/dbraw/zinc/78/56/13/532785613.db2.gz QUJHWTRSQJADQN-ZDUSSCGKSA-N 1 2 387.343 2.207 20 0 GEADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CSCc1ccc(Br)cc1 ZINC000457096227 532785616 /nfs/dbraw/zinc/78/56/16/532785616.db2.gz QUJHWTRSQJADQN-ZDUSSCGKSA-N 1 2 387.343 2.207 20 0 GEADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc(Cl)cc(Br)c1F ZINC000457103077 532786655 /nfs/dbraw/zinc/78/66/55/532786655.db2.gz RTUZSHXHHXQBSB-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(Cl)cc(Br)c1F ZINC000457103077 532786659 /nfs/dbraw/zinc/78/66/59/532786659.db2.gz RTUZSHXHHXQBSB-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO Cc1cc(Br)c(C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1Cl ZINC000320681809 532787707 /nfs/dbraw/zinc/78/77/07/532787707.db2.gz LIULGIMJFPVQRI-UHFFFAOYSA-N 1 2 388.693 2.044 20 0 GEADLO Cc1cc(Br)c(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1Cl ZINC000320681809 532787711 /nfs/dbraw/zinc/78/77/11/532787711.db2.gz LIULGIMJFPVQRI-UHFFFAOYSA-N 1 2 388.693 2.044 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(OC)c(Br)c2)C1 ZINC000412359135 532788796 /nfs/dbraw/zinc/78/87/96/532788796.db2.gz FYSKSGKFAXKPEF-GFCCVEGCSA-N 1 2 399.285 2.073 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(OC)c(Br)c2)C1 ZINC000412359135 532788797 /nfs/dbraw/zinc/78/87/97/532788797.db2.gz FYSKSGKFAXKPEF-GFCCVEGCSA-N 1 2 399.285 2.073 20 0 GEADLO CNc1cc(I)ccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000412356573 532788961 /nfs/dbraw/zinc/78/89/61/532788961.db2.gz CTEMDTFYJQYZBM-UHFFFAOYSA-N 1 2 382.205 2.185 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)c1ccc(I)cc1NC ZINC000412377016 532789682 /nfs/dbraw/zinc/78/96/82/532789682.db2.gz BCBJZSSDJOSATC-UHFFFAOYSA-N 1 2 384.221 2.479 20 0 GEADLO CC[C@H]1[C@@H](CO)CCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000457929382 532791609 /nfs/dbraw/zinc/79/16/09/532791609.db2.gz ADKGGWNWBTTZRM-RISCZKNCSA-N 1 2 381.274 2.399 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(C)c(Br)cc2C)CC1 ZINC000412437800 532792245 /nfs/dbraw/zinc/79/22/45/532792245.db2.gz RPGRKLMMHIWRTJ-UHFFFAOYSA-N 1 2 399.329 2.485 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+](CCS(C)(=O)=O)C2CC2)c(Cl)c1 ZINC000269906020 532792608 /nfs/dbraw/zinc/79/26/08/532792608.db2.gz ZQRPHKIVSCFEQX-UHFFFAOYSA-N 1 2 375.874 2.014 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+](CCS(C)(=O)=O)C2CC2)c(Cl)c1 ZINC000269906020 532792609 /nfs/dbraw/zinc/79/26/09/532792609.db2.gz ZQRPHKIVSCFEQX-UHFFFAOYSA-N 1 2 375.874 2.014 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2scc(C)c2Br)CC1 ZINC000412434468 532792655 /nfs/dbraw/zinc/79/26/55/532792655.db2.gz HVMKFFFXQQKLHC-UHFFFAOYSA-N 1 2 391.331 2.238 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000287401665 532793583 /nfs/dbraw/zinc/79/35/83/532793583.db2.gz KQVWIKOJIPMFNN-WDEREUQCSA-N 1 2 378.420 2.167 20 0 GEADLO CCC[C@H](O)[C@H](CO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000412522269 532794285 /nfs/dbraw/zinc/79/42/85/532794285.db2.gz JKOFQGKDJFAOSB-ULQDDVLXSA-N 1 2 399.329 2.224 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000287417457 532794495 /nfs/dbraw/zinc/79/44/95/532794495.db2.gz QCQHKACMUOZRHF-NEPJUHHUSA-N 1 2 380.539 2.359 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000328676839 532794977 /nfs/dbraw/zinc/79/49/77/532794977.db2.gz LQAWEQYDOUYIHY-RYUDHWBXSA-N 1 2 384.502 2.419 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000328676839 532794981 /nfs/dbraw/zinc/79/49/81/532794981.db2.gz LQAWEQYDOUYIHY-RYUDHWBXSA-N 1 2 384.502 2.419 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NC(C)(C)c2ccccc2Br)C1 ZINC000270185492 532795051 /nfs/dbraw/zinc/79/50/51/532795051.db2.gz CBVCWLMJONKDMJ-ZDUSSCGKSA-N 1 2 383.334 2.229 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NC(C)(C)c2ccccc2Br)C1 ZINC000270185492 532795055 /nfs/dbraw/zinc/79/50/55/532795055.db2.gz CBVCWLMJONKDMJ-ZDUSSCGKSA-N 1 2 383.334 2.229 20 0 GEADLO NC(=O)Cn1cc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2Br)nn1 ZINC000459574022 532796112 /nfs/dbraw/zinc/79/61/12/532796112.db2.gz SLMBAJIAMCNZPU-HNNXBMFYSA-N 1 2 392.301 2.123 20 0 GEADLO NC(=O)Cn1cc(C[N@H+]2CCCC[C@H]2Cc2ccccc2Br)nn1 ZINC000459574022 532796115 /nfs/dbraw/zinc/79/61/15/532796115.db2.gz SLMBAJIAMCNZPU-HNNXBMFYSA-N 1 2 392.301 2.123 20 0 GEADLO Cc1nn2c(C[N@@H+]3CCC[C@@H](S(=O)(=O)N(C)C)C3)c(C(C)C)nc2s1 ZINC000329457515 532807313 /nfs/dbraw/zinc/80/73/13/532807313.db2.gz QNYBEYLJWLVACX-CYBMUJFWSA-N 1 2 385.559 2.078 20 0 GEADLO Cc1nn2c(C[N@H+]3CCC[C@@H](S(=O)(=O)N(C)C)C3)c(C(C)C)nc2s1 ZINC000329457515 532807316 /nfs/dbraw/zinc/80/73/16/532807316.db2.gz QNYBEYLJWLVACX-CYBMUJFWSA-N 1 2 385.559 2.078 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000413258751 532808889 /nfs/dbraw/zinc/80/88/89/532808889.db2.gz CKQLLDFREVSOPR-CQSZACIVSA-N 1 2 389.725 2.148 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000413258751 532808891 /nfs/dbraw/zinc/80/88/91/532808891.db2.gz CKQLLDFREVSOPR-CQSZACIVSA-N 1 2 389.725 2.148 20 0 GEADLO O=c1[nH]nc(C2CC[NH+](Cc3cc4c(c(Br)c3)OCO4)CC2)[nH]1 ZINC000329672057 532809959 /nfs/dbraw/zinc/80/99/59/532809959.db2.gz UJUZFMXYZNAIMV-UHFFFAOYSA-N 1 2 381.230 2.381 20 0 GEADLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cc(OC)ccc3OC)sc2C1 ZINC000550804408 532798302 /nfs/dbraw/zinc/79/83/02/532798302.db2.gz HKMHKPRYXGLSKU-UHFFFAOYSA-N 1 2 383.495 2.339 20 0 GEADLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cc(OC)ccc3OC)sc2C1 ZINC000550804408 532798305 /nfs/dbraw/zinc/79/83/05/532798305.db2.gz HKMHKPRYXGLSKU-UHFFFAOYSA-N 1 2 383.495 2.339 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)C[C@H]21 ZINC000329153755 532803189 /nfs/dbraw/zinc/80/31/89/532803189.db2.gz UJQGALHAEDFQBY-CVEARBPZSA-N 1 2 381.263 2.334 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)C[C@H]21 ZINC000329153755 532803191 /nfs/dbraw/zinc/80/31/91/532803191.db2.gz UJQGALHAEDFQBY-CVEARBPZSA-N 1 2 381.263 2.334 20 0 GEADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000272223402 532813739 /nfs/dbraw/zinc/81/37/39/532813739.db2.gz KPIAVEOSUXOVTO-STQMWFEESA-N 1 2 398.301 2.003 20 0 GEADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000272223402 532813741 /nfs/dbraw/zinc/81/37/41/532813741.db2.gz KPIAVEOSUXOVTO-STQMWFEESA-N 1 2 398.301 2.003 20 0 GEADLO CC1(CS(=O)(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC000330026772 532813918 /nfs/dbraw/zinc/81/39/18/532813918.db2.gz LZLSXLWWNDSYIO-KRWDZBQOSA-N 1 2 376.588 2.084 20 0 GEADLO O=S1(=O)CCC(O)(C[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000330249334 532816393 /nfs/dbraw/zinc/81/63/93/532816393.db2.gz ZUBLZFBNRQTFSC-OAHLLOKOSA-N 1 2 375.943 2.370 20 0 GEADLO O=S1(=O)CCC(O)(C[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000330249334 532816395 /nfs/dbraw/zinc/81/63/95/532816395.db2.gz ZUBLZFBNRQTFSC-OAHLLOKOSA-N 1 2 375.943 2.370 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000413960563 532816423 /nfs/dbraw/zinc/81/64/23/532816423.db2.gz QEKIIZQOCHHZCQ-UHFFFAOYSA-N 1 2 384.318 2.356 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccccc1Br ZINC000288070551 532816607 /nfs/dbraw/zinc/81/66/07/532816607.db2.gz JHOKUCIYNJHRQI-ZFWWWQNUSA-N 1 2 382.302 2.454 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccccc1Br ZINC000288070527 532816728 /nfs/dbraw/zinc/81/67/28/532816728.db2.gz JHOKUCIYNJHRQI-HIFRSBDPSA-N 1 2 382.302 2.454 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[N@@H+]1C[C@H](C)O ZINC000330478887 532819417 /nfs/dbraw/zinc/81/94/17/532819417.db2.gz NJZADCVESFTLCQ-WDEREUQCSA-N 1 2 382.860 2.084 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[N@H+]1C[C@H](C)O ZINC000330478887 532819420 /nfs/dbraw/zinc/81/94/20/532819420.db2.gz NJZADCVESFTLCQ-WDEREUQCSA-N 1 2 382.860 2.084 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000273150929 532820043 /nfs/dbraw/zinc/82/00/43/532820043.db2.gz HSERDQYGVOGDML-LSDHHAIUSA-N 1 2 381.885 2.246 20 0 GEADLO Cn1ncc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)c1Br ZINC000273244781 532821530 /nfs/dbraw/zinc/82/15/30/532821530.db2.gz QRVZJMGPZMSYSF-UHFFFAOYSA-N 1 2 392.301 2.182 20 0 GEADLO CCC[C@H](O)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273409388 532823436 /nfs/dbraw/zinc/82/34/36/532823436.db2.gz CHZOHXBNEFPBEU-AWEZNQCLSA-N 1 2 383.290 2.408 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCN(c4cnn(C)c4)CC3)c[nH+]c12 ZINC000273551060 532825992 /nfs/dbraw/zinc/82/59/92/532825992.db2.gz VBPDKRIQXSZQAT-UHFFFAOYSA-N 1 2 389.301 2.461 20 0 GEADLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)s1 ZINC000273666542 532830379 /nfs/dbraw/zinc/83/03/79/532830379.db2.gz YRYUXWGHIYEIMN-MRVPVSSYSA-N 1 2 390.437 2.132 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)[C@@H](C)CO)[nH+]c12 ZINC000273676253 532830591 /nfs/dbraw/zinc/83/05/91/532830591.db2.gz YJVUOYMCSWYZHC-RYUDHWBXSA-N 1 2 383.290 2.264 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)CC1 ZINC000288473193 532828550 /nfs/dbraw/zinc/82/85/50/532828550.db2.gz QNHPZPGXZKMZFP-LBPRGKRZSA-N 1 2 380.432 2.002 20 0 GEADLO C[NH+](C)Cc1csc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC000414458513 532828869 /nfs/dbraw/zinc/82/88/69/532828869.db2.gz MSXIUAFCYDYQDY-UHFFFAOYSA-N 1 2 380.495 2.132 20 0 GEADLO C[C@H](CNS(=O)(=O)CCc1ccccc1Br)Cn1cc[nH+]c1 ZINC000414459763 532829049 /nfs/dbraw/zinc/82/90/49/532829049.db2.gz OVSHUGAFTOMPEO-CYBMUJFWSA-N 1 2 386.315 2.444 20 0 GEADLO Cc1nnc([C@H](C)[NH2+]CC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000273661525 532829798 /nfs/dbraw/zinc/82/97/98/532829798.db2.gz XXHHEKMGSIYTPX-LBPRGKRZSA-N 1 2 379.917 2.499 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c(Br)c1O ZINC000273701022 532831409 /nfs/dbraw/zinc/83/14/09/532831409.db2.gz DIUGBDZLAYDSAB-GFCCVEGCSA-N 1 2 384.274 2.199 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c(Br)c1O ZINC000273701022 532831411 /nfs/dbraw/zinc/83/14/11/532831411.db2.gz DIUGBDZLAYDSAB-GFCCVEGCSA-N 1 2 384.274 2.199 20 0 GEADLO Cc1nn(C)cc1S(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000288557924 532831429 /nfs/dbraw/zinc/83/14/29/532831429.db2.gz JPZMLCSIRACTQI-UHFFFAOYSA-N 1 2 380.539 2.387 20 0 GEADLO Cc1nc(Cl)ccc1S(=O)(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000288582228 532831940 /nfs/dbraw/zinc/83/19/40/532831940.db2.gz LXTFFKGLKHYXJZ-UHFFFAOYSA-N 1 2 382.873 2.344 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc(Br)c1OC(F)F ZINC000414561635 532832290 /nfs/dbraw/zinc/83/22/90/532832290.db2.gz SSZJTXWBWKGDBR-CMPLNLGQSA-N 1 2 396.228 2.234 20 0 GEADLO COc1cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)cc(Br)c1OC(F)F ZINC000414561635 532832291 /nfs/dbraw/zinc/83/22/91/532832291.db2.gz SSZJTXWBWKGDBR-CMPLNLGQSA-N 1 2 396.228 2.234 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000414571668 532832432 /nfs/dbraw/zinc/83/24/32/532832432.db2.gz VLNJJYUUMYXKEC-NSHDSACASA-N 1 2 384.299 2.435 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000414571668 532832436 /nfs/dbraw/zinc/83/24/36/532832436.db2.gz VLNJJYUUMYXKEC-NSHDSACASA-N 1 2 384.299 2.435 20 0 GEADLO CCCOc1c(Br)cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1OC ZINC000414560173 532832562 /nfs/dbraw/zinc/83/25/62/532832562.db2.gz QBSFZLBQXSBYLA-DZGCQCFKSA-N 1 2 388.302 2.422 20 0 GEADLO CCCOc1c(Br)cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)cc1OC ZINC000414560173 532832564 /nfs/dbraw/zinc/83/25/64/532832564.db2.gz QBSFZLBQXSBYLA-DZGCQCFKSA-N 1 2 388.302 2.422 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3C=C[C@H](CO)C3)[nH+]c12 ZINC000273754556 532833013 /nfs/dbraw/zinc/83/30/13/532833013.db2.gz WGPPGHQOMMLQFD-WCQYABFASA-N 1 2 379.258 2.141 20 0 GEADLO C[C@@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000331233196 532836091 /nfs/dbraw/zinc/83/60/91/532836091.db2.gz JYUMFRITNATSPS-VXGBXAGGSA-N 1 2 381.420 2.150 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1c(Cl)cc(F)cc1Cl)C[NH+]1CCOCC1 ZINC000331228722 532836178 /nfs/dbraw/zinc/83/61/78/532836178.db2.gz OOFCNMDACRVLRU-JTQLQIEISA-N 1 2 385.288 2.379 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@@H](C)C1 ZINC000331219058 532836322 /nfs/dbraw/zinc/83/63/22/532836322.db2.gz IFHFWGDIAWMTDH-UWVGGRQHSA-N 1 2 385.288 2.208 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@@H](C)C1 ZINC000331219058 532836324 /nfs/dbraw/zinc/83/63/24/532836324.db2.gz IFHFWGDIAWMTDH-UWVGGRQHSA-N 1 2 385.288 2.208 20 0 GEADLO COc1cc(C)c(S(=O)(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1Cl ZINC000331179599 532835200 /nfs/dbraw/zinc/83/52/00/532835200.db2.gz GMRSRJDIVGUWSO-UHFFFAOYSA-N 1 2 376.906 2.046 20 0 GEADLO COc1cc(C)c(S(=O)(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1Cl ZINC000331179599 532835204 /nfs/dbraw/zinc/83/52/04/532835204.db2.gz GMRSRJDIVGUWSO-UHFFFAOYSA-N 1 2 376.906 2.046 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCCC(=O)NC(C)C)[nH+]c12 ZINC000273980274 532839026 /nfs/dbraw/zinc/83/90/26/532839026.db2.gz NLNXRIOHJOZMCP-UHFFFAOYSA-N 1 2 396.289 2.119 20 0 GEADLO O=C(Nc1cc2c(cc1Br)NC(=O)CO2)C12CCC[NH+]1CCC2 ZINC000415268301 532840079 /nfs/dbraw/zinc/84/00/79/532840079.db2.gz NSPSFKKWPKTMSV-UHFFFAOYSA-N 1 2 380.242 2.347 20 0 GEADLO Cn1c(=O)c2ccc(C(=O)NCc3ccccc3C[NH+](C)C)cc2[nH]c1=S ZINC000009917489 204327693 /nfs/dbraw/zinc/32/76/93/204327693.db2.gz YIQOCRYGQWPEKI-UHFFFAOYSA-N 1 2 382.489 2.214 20 0 GEADLO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000012141562 204373586 /nfs/dbraw/zinc/37/35/86/204373586.db2.gz VGLYELJAQPLWJO-UHFFFAOYSA-N 1 2 376.478 2.040 20 0 GEADLO COc1ccc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)cc1OC ZINC000012141562 204373589 /nfs/dbraw/zinc/37/35/89/204373589.db2.gz VGLYELJAQPLWJO-UHFFFAOYSA-N 1 2 376.478 2.040 20 0 GEADLO CC(C)[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)c1[nH]cc[nH+]1 ZINC000288889914 532841081 /nfs/dbraw/zinc/84/10/81/532841081.db2.gz IJYIEJNPLBFNOP-JTQLQIEISA-N 1 2 397.931 2.204 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000331607425 532841897 /nfs/dbraw/zinc/84/18/97/532841897.db2.gz ZYCSYVSSCKQSRA-LLVKDONJSA-N 1 2 388.287 2.104 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000331607425 532841900 /nfs/dbraw/zinc/84/19/00/532841900.db2.gz ZYCSYVSSCKQSRA-LLVKDONJSA-N 1 2 388.287 2.104 20 0 GEADLO CCNC(=O)CCCC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274154282 532842467 /nfs/dbraw/zinc/84/24/67/532842467.db2.gz GIOKZYMDSRZMQD-UHFFFAOYSA-N 1 2 381.274 2.328 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@](C)(O)C3)[nH+]c12 ZINC000274166138 532842741 /nfs/dbraw/zinc/84/27/41/532842741.db2.gz HTWMXQRPOGLSTR-MRXNPFEDSA-N 1 2 381.274 2.462 20 0 GEADLO O=c1[nH]ccc(Cc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1Br ZINC000288992410 532843732 /nfs/dbraw/zinc/84/37/32/532843732.db2.gz CRJSRUJGMTZYMF-NWDGAFQWSA-N 1 2 395.257 2.449 20 0 GEADLO O=c1[nH]ccc(Cc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1Br ZINC000288992410 532843733 /nfs/dbraw/zinc/84/37/33/532843733.db2.gz CRJSRUJGMTZYMF-NWDGAFQWSA-N 1 2 395.257 2.449 20 0 GEADLO CC(C)[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1[nH]cc[nH+]1 ZINC000289033491 532845558 /nfs/dbraw/zinc/84/55/58/532845558.db2.gz WSUZXGQZQTXRTO-ZDUSSCGKSA-N 1 2 391.902 2.142 20 0 GEADLO O=C1NCCN1C1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000289083998 532846769 /nfs/dbraw/zinc/84/67/69/532846769.db2.gz KPCKSTZWWNYCDQ-UHFFFAOYSA-N 1 2 378.274 2.086 20 0 GEADLO C[C@@H](O)c1ncc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)s1 ZINC000289139828 532848295 /nfs/dbraw/zinc/84/82/95/532848295.db2.gz PGPCOWAPYHMMNK-CQSZACIVSA-N 1 2 381.523 2.093 20 0 GEADLO C[C@@H](O)c1ncc(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)s1 ZINC000289139828 532848297 /nfs/dbraw/zinc/84/82/97/532848297.db2.gz PGPCOWAPYHMMNK-CQSZACIVSA-N 1 2 381.523 2.093 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000332078640 532848532 /nfs/dbraw/zinc/84/85/32/532848532.db2.gz HNOLTZHJCCQLJA-SNVBAGLBSA-N 1 2 388.262 2.500 20 0 GEADLO O=C(c1ccc(Br)c(Cl)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000332246403 532850558 /nfs/dbraw/zinc/85/05/58/532850558.db2.gz BBDQCYPHXAYDSP-UHFFFAOYSA-N 1 2 398.692 2.152 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000289231172 532850385 /nfs/dbraw/zinc/85/03/85/532850385.db2.gz VGEGNJOTKXFPOF-UHFFFAOYSA-N 1 2 380.539 2.499 20 0 GEADLO Cc1n[nH]cc1CNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274612509 532852594 /nfs/dbraw/zinc/85/25/94/532852594.db2.gz NRVVMFDBFBATGP-UHFFFAOYSA-N 1 2 377.246 2.436 20 0 GEADLO CN(C)c1nc(N)nc(C[NH+]2CCC(c3cccc(Br)c3)CC2)n1 ZINC000332367772 532853047 /nfs/dbraw/zinc/85/30/47/532853047.db2.gz LHBNUHGIOGTIFW-UHFFFAOYSA-N 1 2 391.317 2.662 20 0 GEADLO CN(C)c1ncnc(Cl)c1C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289450032 532854943 /nfs/dbraw/zinc/85/49/43/532854943.db2.gz KZBLQPDLIHLPNX-JTQLQIEISA-N 1 2 379.814 2.087 20 0 GEADLO CN(C)c1ncnc(Cl)c1C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289450032 532854944 /nfs/dbraw/zinc/85/49/44/532854944.db2.gz KZBLQPDLIHLPNX-JTQLQIEISA-N 1 2 379.814 2.087 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c(Br)c1OC ZINC000289461402 532855924 /nfs/dbraw/zinc/85/59/24/532855924.db2.gz QCGJCMSAUYSGTH-LLVKDONJSA-N 1 2 397.273 2.257 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c(Br)c1OC ZINC000289461402 532855925 /nfs/dbraw/zinc/85/59/25/532855925.db2.gz QCGJCMSAUYSGTH-LLVKDONJSA-N 1 2 397.273 2.257 20 0 GEADLO CCOC(=O)C1(O)CC[NH+](C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000274766573 532856282 /nfs/dbraw/zinc/85/62/82/532856282.db2.gz GEHBUNAFFADYNE-AWEZNQCLSA-N 1 2 390.249 2.012 20 0 GEADLO Cc1c(Cl)cc(F)c(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1F ZINC000332605317 532858036 /nfs/dbraw/zinc/85/80/36/532858036.db2.gz IVPIKZSWTXYLQB-LLVKDONJSA-N 1 2 377.819 2.083 20 0 GEADLO O=C(N[C@@H]1CC[S@](=O)C1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000332943481 532862500 /nfs/dbraw/zinc/86/25/00/532862500.db2.gz NGTWANZXXFMTRN-XGZNKIABSA-N 1 2 387.908 2.264 20 0 GEADLO O=C(N[C@@H]1CC[S@](=O)C1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000332943481 532862501 /nfs/dbraw/zinc/86/25/01/532862501.db2.gz NGTWANZXXFMTRN-XGZNKIABSA-N 1 2 387.908 2.264 20 0 GEADLO C[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)[C@H](C)S(C)(=O)=O ZINC000416121045 532864514 /nfs/dbraw/zinc/86/45/14/532864514.db2.gz FTGFHNYXLFPNAO-SLEUVZQESA-N 1 2 383.901 2.348 20 0 GEADLO C[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)[C@@H](C)S(C)(=O)=O ZINC000416121046 532864585 /nfs/dbraw/zinc/86/45/85/532864585.db2.gz FTGFHNYXLFPNAO-YWPYICTPSA-N 1 2 383.901 2.348 20 0 GEADLO Cc1nc(Cl)c(Cl)cc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000289802272 532865021 /nfs/dbraw/zinc/86/50/21/532865021.db2.gz RJRQEZQGLWRMPP-UHFFFAOYSA-N 1 2 384.267 2.478 20 0 GEADLO CC[C@@H]1COCCN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333158289 532865239 /nfs/dbraw/zinc/86/52/39/532865239.db2.gz GTMKCUWBKVQXCJ-GFCCVEGCSA-N 1 2 399.289 2.323 20 0 GEADLO CCOc1ccc(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1Br ZINC000275124312 532865319 /nfs/dbraw/zinc/86/53/19/532865319.db2.gz JOBLSTKIAQJURO-LLVKDONJSA-N 1 2 395.257 2.188 20 0 GEADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275149040 532866347 /nfs/dbraw/zinc/86/63/47/532866347.db2.gz XIMBTLCQXGNJDJ-NXEZZACHSA-N 1 2 378.782 2.062 20 0 GEADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275149040 532866351 /nfs/dbraw/zinc/86/63/51/532866351.db2.gz XIMBTLCQXGNJDJ-NXEZZACHSA-N 1 2 378.782 2.062 20 0 GEADLO CC[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)C[C@H](C)S1(=O)=O ZINC000289940793 532868443 /nfs/dbraw/zinc/86/84/43/532868443.db2.gz XDMSXIVVQYFBJR-FZMZJTMJSA-N 1 2 386.315 2.494 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)CCN1C ZINC000275213329 532868740 /nfs/dbraw/zinc/86/87/40/532868740.db2.gz BCGAPHMCTIVWLD-VIFPVBQESA-N 1 2 395.337 2.466 20 0 GEADLO CC(=O)NC[C@@H]1C[N@H+](CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000289971507 532869701 /nfs/dbraw/zinc/86/97/01/532869701.db2.gz JEBMNBJWROYEDR-MRXNPFEDSA-N 1 2 383.286 2.249 20 0 GEADLO CC(=O)NC[C@@H]1C[N@@H+](CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000289971507 532869705 /nfs/dbraw/zinc/86/97/05/532869705.db2.gz JEBMNBJWROYEDR-MRXNPFEDSA-N 1 2 383.286 2.249 20 0 GEADLO C[C@H]1C[C@@H](C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000333568494 532871042 /nfs/dbraw/zinc/87/10/42/532871042.db2.gz XQGGHXZKSBAZRH-RYUDHWBXSA-N 1 2 384.274 2.434 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N[C@@H]1CCSC1 ZINC000333709759 532871969 /nfs/dbraw/zinc/87/19/69/532871969.db2.gz SSQGDJVWBSJDEV-SNVBAGLBSA-N 1 2 387.303 2.308 20 0 GEADLO COc1cc(OC)c(S(=O)(=O)NCc2ccc[nH+]c2N(C)C)cc1Cl ZINC000416370617 532872430 /nfs/dbraw/zinc/87/24/30/532872430.db2.gz KEPVEXOHYHNMPT-UHFFFAOYSA-N 1 2 385.873 2.297 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000333716322 532872447 /nfs/dbraw/zinc/87/24/47/532872447.db2.gz HIFIFXYKNPBVDN-GYSYKLTISA-N 1 2 382.258 2.187 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)Nc1ncc(Cn2cc(Br)cn2)s1 ZINC000275453401 532876698 /nfs/dbraw/zinc/87/66/98/532876698.db2.gz XYVSHMAMVJSUMC-LLVKDONJSA-N 1 2 386.319 2.283 20 0 GEADLO CS[C@H]1CN(c2cc(C(C)=O)ccc2S(C)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000275511106 532877189 /nfs/dbraw/zinc/87/71/89/532877189.db2.gz UYHJGMUSNFGFPI-SJORKVTESA-N 1 2 382.551 2.309 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)C(=O)NOCc1ccc(F)cc1Br ZINC000275453592 532876760 /nfs/dbraw/zinc/87/67/60/532876760.db2.gz CVUVYUPRNJVLEM-NSHDSACASA-N 1 2 375.238 2.104 20 0 GEADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CSCCS3)c2)CC1 ZINC000275551438 532878584 /nfs/dbraw/zinc/87/85/84/532878584.db2.gz LZPQAFKXBSBUPO-KRWDZBQOSA-N 1 2 379.551 2.138 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N1CCC2(CCC2)S(=O)(=O)CC1)c1cccs1 ZINC000334025113 532877392 /nfs/dbraw/zinc/87/73/92/532877392.db2.gz GNPAZYVOFYWAHN-AWEZNQCLSA-N 1 2 385.555 2.104 20 0 GEADLO O=C1N[C@H](c2ccsc2)C(=O)N1C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000349356871 532880575 /nfs/dbraw/zinc/88/05/75/532880575.db2.gz XCXRLMYNYHDAPC-DZGCQCFKSA-N 1 2 377.491 2.476 20 0 GEADLO O=c1c2cc(Br)c(F)cc2ncn1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418932118 532881464 /nfs/dbraw/zinc/88/14/64/532881464.db2.gz FVAHJBRQODQAAW-PHIMTYICSA-N 1 2 382.233 2.161 20 0 GEADLO O=c1c2cc(Br)c(F)cc2ncn1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418932118 532881465 /nfs/dbraw/zinc/88/14/65/532881465.db2.gz FVAHJBRQODQAAW-PHIMTYICSA-N 1 2 382.233 2.161 20 0 GEADLO CSc1nnc(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)s1 ZINC000275904913 532885692 /nfs/dbraw/zinc/88/56/92/532885692.db2.gz UOYXQFVXFVUAGD-UHFFFAOYSA-N 1 2 379.511 2.414 20 0 GEADLO C[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)c2ccccc12 ZINC000420930971 532887589 /nfs/dbraw/zinc/88/75/89/532887589.db2.gz FNJCXGQZRRQWIP-AWEZNQCLSA-N 1 2 380.897 2.228 20 0 GEADLO C[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)c2ccccc12 ZINC000420930971 532887590 /nfs/dbraw/zinc/88/75/90/532887590.db2.gz FNJCXGQZRRQWIP-AWEZNQCLSA-N 1 2 380.897 2.228 20 0 GEADLO C[C@@H](COCC(F)(F)F)NC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000360215970 532890089 /nfs/dbraw/zinc/89/00/89/532890089.db2.gz JPAQLBCNXYYUIT-NSHDSACASA-N 1 2 380.436 2.374 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000359892163 532889170 /nfs/dbraw/zinc/88/91/70/532889170.db2.gz AIHXIYLYVFEBSF-GFCCVEGCSA-N 1 2 375.230 2.203 20 0 GEADLO NC(=O)CSc1nnc(SCc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000421834238 532890759 /nfs/dbraw/zinc/89/07/59/532890759.db2.gz ORPQAONGHDBDGQ-UHFFFAOYSA-N 1 2 396.563 2.240 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)n1 ZINC000276237896 532891574 /nfs/dbraw/zinc/89/15/74/532891574.db2.gz LNONMWDLBUWPRM-SNVBAGLBSA-N 1 2 379.404 2.460 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)n1 ZINC000276237896 532891575 /nfs/dbraw/zinc/89/15/75/532891575.db2.gz LNONMWDLBUWPRM-SNVBAGLBSA-N 1 2 379.404 2.460 20 0 GEADLO CCS(=O)(=O)CC[NH2+]Cc1c(Br)cncc1Br ZINC000290984708 532894050 /nfs/dbraw/zinc/89/40/50/532894050.db2.gz YZIOZBOPWDJQPX-UHFFFAOYSA-N 1 2 386.109 2.131 20 0 GEADLO COC(=O)c1cc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)n(C)c1C ZINC000291005522 532894781 /nfs/dbraw/zinc/89/47/81/532894781.db2.gz CWTOQCHMFSGNFW-OAHLLOKOSA-N 1 2 394.269 2.199 20 0 GEADLO COC(=O)c1cc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)n(C)c1C ZINC000291005521 532894792 /nfs/dbraw/zinc/89/47/92/532894792.db2.gz CWTOQCHMFSGNFW-HNNXBMFYSA-N 1 2 394.269 2.199 20 0 GEADLO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CCn2c[nH+]cc2C1 ZINC000291012103 532894952 /nfs/dbraw/zinc/89/49/52/532894952.db2.gz COIAAUFQSWAPCN-HNNXBMFYSA-N 1 2 389.253 2.041 20 0 GEADLO C[C@@H]1CSC(SCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)=N1 ZINC000362392937 532896090 /nfs/dbraw/zinc/89/60/90/532896090.db2.gz VQJQFHJHMUWWFV-ZBFHGGJFSA-N 1 2 379.551 2.228 20 0 GEADLO C[C@@H]1CSC(SCC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)=N1 ZINC000362392937 532896092 /nfs/dbraw/zinc/89/60/92/532896092.db2.gz VQJQFHJHMUWWFV-ZBFHGGJFSA-N 1 2 379.551 2.228 20 0 GEADLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2[nH]nc(C3CC3)c2Br)CCO1 ZINC000276452349 532896305 /nfs/dbraw/zinc/89/63/05/532896305.db2.gz XSQNIWDBYTUWRR-ZYHUDNBSSA-N 1 2 394.273 2.433 20 0 GEADLO Cc1oc(Br)cc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000424613869 532896347 /nfs/dbraw/zinc/89/63/47/532896347.db2.gz VULDEVQTYAIZHT-HNNXBMFYSA-N 1 2 389.315 2.288 20 0 GEADLO C[C@](O)(CNC(=O)NC1CC[NH+](Cc2cscn2)CC1)c1cccs1 ZINC000363557965 532899362 /nfs/dbraw/zinc/89/93/62/532899362.db2.gz NPMMRSLZMAXZSA-KRWDZBQOSA-N 1 2 380.539 2.376 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H](C)[C@H]3CO)[nH+]c12 ZINC000276726003 532900190 /nfs/dbraw/zinc/90/01/90/532900190.db2.gz IMOPBFRTXCUGJX-XHDPSFHLSA-N 1 2 395.301 2.360 20 0 GEADLO CC(C)[NH+]1CC(NC(=O)c2ncc(Br)cc2Br)C1 ZINC000276653395 532899014 /nfs/dbraw/zinc/89/90/14/532899014.db2.gz SGYQWFRFAFNMEU-UHFFFAOYSA-N 1 2 377.080 2.429 20 0 GEADLO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363925038 532902097 /nfs/dbraw/zinc/90/20/97/532902097.db2.gz AVJLBLDPGVLNQZ-AWEZNQCLSA-N 1 2 378.270 2.477 20 0 GEADLO COc1cc(Cl)c(Cl)cc1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000276775675 532901000 /nfs/dbraw/zinc/90/10/00/532901000.db2.gz MBJRUMMBZWBMTK-NSHDSACASA-N 1 2 392.283 2.159 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000276933830 532903951 /nfs/dbraw/zinc/90/39/51/532903951.db2.gz ADIZORAZXXEZSJ-UHFFFAOYSA-N 1 2 385.511 2.395 20 0 GEADLO O=S(=O)(Nc1cnn(C2CC[NH+](Cc3cscn3)CC2)c1)C(F)F ZINC000364215959 532904848 /nfs/dbraw/zinc/90/48/48/532904848.db2.gz LNBWKMPHAZEHNF-UHFFFAOYSA-N 1 2 377.442 2.141 20 0 GEADLO CC(C)S(=O)(=O)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000291748839 532908347 /nfs/dbraw/zinc/90/83/47/532908347.db2.gz GVHARAUVZVSSDU-HNNXBMFYSA-N 1 2 375.922 2.065 20 0 GEADLO CS(=O)(=O)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000292289957 532914911 /nfs/dbraw/zinc/91/49/11/532914911.db2.gz RLIWENSLMMQKHC-XHDPSFHLSA-N 1 2 391.320 2.465 20 0 GEADLO CS(=O)(=O)C[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000292289957 532914912 /nfs/dbraw/zinc/91/49/12/532914912.db2.gz RLIWENSLMMQKHC-XHDPSFHLSA-N 1 2 391.320 2.465 20 0 GEADLO CN(CCn1cc(Br)cn1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000292303050 532915086 /nfs/dbraw/zinc/91/50/86/532915086.db2.gz HUOTXNRTDSVRJI-UHFFFAOYSA-N 1 2 377.246 2.135 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000366144005 532914725 /nfs/dbraw/zinc/91/47/25/532914725.db2.gz PYJITVLLMKESMS-CYBMUJFWSA-N 1 2 382.463 2.080 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1c(F)ccc(C)c1Br)CC2 ZINC000366581601 532919058 /nfs/dbraw/zinc/91/90/58/532919058.db2.gz TXUPPKZZUTUFST-UHFFFAOYSA-N 1 2 395.232 2.382 20 0 GEADLO O[C@H](COC1CCOCC1)C[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000366393223 532916910 /nfs/dbraw/zinc/91/69/10/532916910.db2.gz QISUMGXZZYZLQT-AWEZNQCLSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@H](COC1CCOCC1)C[N@H+]1CCOc2c(Br)cccc2C1 ZINC000366393223 532916911 /nfs/dbraw/zinc/91/69/11/532916911.db2.gz QISUMGXZZYZLQT-AWEZNQCLSA-N 1 2 386.286 2.200 20 0 GEADLO Cc1csc(NC(=O)[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NCC(F)(F)F)C2)n1 ZINC000366452099 532917353 /nfs/dbraw/zinc/91/73/53/532917353.db2.gz UQEUCHCWWGNQJE-GHMZBOCLSA-N 1 2 378.420 2.169 20 0 GEADLO Cc1csc(NC(=O)[C@@H]2CCC[N@H+]([C@H](C)C(=O)NCC(F)(F)F)C2)n1 ZINC000366452099 532917355 /nfs/dbraw/zinc/91/73/55/532917355.db2.gz UQEUCHCWWGNQJE-GHMZBOCLSA-N 1 2 378.420 2.169 20 0 GEADLO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366554880 532918755 /nfs/dbraw/zinc/91/87/55/532918755.db2.gz ONWIUSIYXBSKGG-LBPRGKRZSA-N 1 2 378.270 2.477 20 0 GEADLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1nnc(-c2ccccc2Br)o1 ZINC000366915912 532921980 /nfs/dbraw/zinc/92/19/80/532921980.db2.gz WDBCQQWPQWDEIF-DGCLKSJQSA-N 1 2 377.242 2.210 20 0 GEADLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1nnc(-c2ccccc2Br)o1 ZINC000366915912 532921982 /nfs/dbraw/zinc/92/19/82/532921982.db2.gz WDBCQQWPQWDEIF-DGCLKSJQSA-N 1 2 377.242 2.210 20 0 GEADLO COc1ccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1Br ZINC000366597349 532919320 /nfs/dbraw/zinc/91/93/20/532919320.db2.gz NHUWIZUNAMFWLW-ZDUSSCGKSA-N 1 2 384.274 2.442 20 0 GEADLO COc1ccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1Br ZINC000366597349 532919321 /nfs/dbraw/zinc/91/93/21/532919321.db2.gz NHUWIZUNAMFWLW-ZDUSSCGKSA-N 1 2 384.274 2.442 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000366639885 532919659 /nfs/dbraw/zinc/91/96/59/532919659.db2.gz JMDZSCKIUCKSTG-MLGOLLRUSA-N 1 2 381.270 2.045 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000366639885 532919660 /nfs/dbraw/zinc/91/96/60/532919660.db2.gz JMDZSCKIUCKSTG-MLGOLLRUSA-N 1 2 381.270 2.045 20 0 GEADLO OCc1cn([C@H]2CCC[N@H+](Cc3cc4c(c(Br)c3)OCO4)C2)nn1 ZINC000292907190 532919829 /nfs/dbraw/zinc/91/98/29/532919829.db2.gz HACDBBMZYXIPPO-ZDUSSCGKSA-N 1 2 395.257 2.099 20 0 GEADLO OCc1cn([C@H]2CCC[N@@H+](Cc3cc4c(c(Br)c3)OCO4)C2)nn1 ZINC000292907190 532919830 /nfs/dbraw/zinc/91/98/30/532919830.db2.gz HACDBBMZYXIPPO-ZDUSSCGKSA-N 1 2 395.257 2.099 20 0 GEADLO C[C@@H]([NH2+]Cc1nnc(S(C)(=O)=O)s1)c1ccc(-n2cccn2)c(F)c1 ZINC000292959549 532920641 /nfs/dbraw/zinc/92/06/41/532920641.db2.gz LGCJTNLEAQSSQI-SNVBAGLBSA-N 1 2 381.458 2.117 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@H]2N1 ZINC000366775232 532921139 /nfs/dbraw/zinc/92/11/39/532921139.db2.gz MMIUVECZAVOJRZ-YPMHNXCESA-N 1 2 391.212 2.140 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@H]2N1 ZINC000366775232 532921140 /nfs/dbraw/zinc/92/11/40/532921140.db2.gz MMIUVECZAVOJRZ-YPMHNXCESA-N 1 2 391.212 2.140 20 0 GEADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000366910659 532921794 /nfs/dbraw/zinc/92/17/94/532921794.db2.gz KHPKWMFKPGXSCF-CYBMUJFWSA-N 1 2 399.925 2.144 20 0 GEADLO O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000367802973 532927270 /nfs/dbraw/zinc/92/72/70/532927270.db2.gz FVFRNDOZMLUURJ-CYBMUJFWSA-N 1 2 391.827 2.476 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000367975458 532929091 /nfs/dbraw/zinc/92/90/91/532929091.db2.gz YPFJBTYYVMZWTH-UHFFFAOYSA-N 1 2 383.411 2.159 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000367975458 532929093 /nfs/dbraw/zinc/92/90/93/532929093.db2.gz YPFJBTYYVMZWTH-UHFFFAOYSA-N 1 2 383.411 2.159 20 0 GEADLO Cc1cc(Br)cc(NC(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)c1 ZINC000368410724 532932276 /nfs/dbraw/zinc/93/22/76/532932276.db2.gz LHHPRVZEAKMPPC-UHFFFAOYSA-N 1 2 397.317 2.385 20 0 GEADLO Cc1cc(Br)cc(NC(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)c1 ZINC000368410724 532932277 /nfs/dbraw/zinc/93/22/77/532932277.db2.gz LHHPRVZEAKMPPC-UHFFFAOYSA-N 1 2 397.317 2.385 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000368192129 532930714 /nfs/dbraw/zinc/93/07/14/532930714.db2.gz WMTJJFWTGPLWOW-CYBMUJFWSA-N 1 2 382.251 2.332 20 0 GEADLO O=C1NC[C@@H]2C[N@H+](Cc3c(F)ccc(I)c3F)CC[C@H]12 ZINC000368216464 532930861 /nfs/dbraw/zinc/93/08/61/532930861.db2.gz STLCFKKYQSANOB-BDAKNGLRSA-N 1 2 392.187 2.137 20 0 GEADLO O=C1NC[C@@H]2C[N@@H+](Cc3c(F)ccc(I)c3F)CC[C@H]12 ZINC000368216464 532930863 /nfs/dbraw/zinc/93/08/63/532930863.db2.gz STLCFKKYQSANOB-BDAKNGLRSA-N 1 2 392.187 2.137 20 0 GEADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000368210733 532931058 /nfs/dbraw/zinc/93/10/58/532931058.db2.gz DEMJYTWAWKGJNT-CYBMUJFWSA-N 1 2 388.265 2.447 20 0 GEADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000368210733 532931059 /nfs/dbraw/zinc/93/10/59/532931059.db2.gz DEMJYTWAWKGJNT-CYBMUJFWSA-N 1 2 388.265 2.447 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c(Br)c1OC ZINC000368353588 532931705 /nfs/dbraw/zinc/93/17/05/532931705.db2.gz BFDXVDHJZOBZTP-NSHDSACASA-N 1 2 392.315 2.333 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)c(Br)c1OC ZINC000368353588 532931706 /nfs/dbraw/zinc/93/17/06/532931706.db2.gz BFDXVDHJZOBZTP-NSHDSACASA-N 1 2 392.315 2.333 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(Br)ccc3F)C2)nn1 ZINC000368853199 532934949 /nfs/dbraw/zinc/93/49/49/532934949.db2.gz ACIPIGOTAJADHC-LBPRGKRZSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(Br)ccc3F)C2)nn1 ZINC000368853199 532934950 /nfs/dbraw/zinc/93/49/50/532934950.db2.gz ACIPIGOTAJADHC-LBPRGKRZSA-N 1 2 383.221 2.413 20 0 GEADLO O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368487443 532932769 /nfs/dbraw/zinc/93/27/69/532932769.db2.gz UBOQSPXAMMUTNY-GFCCVEGCSA-N 1 2 393.843 2.060 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)Nc1cccc(Br)c1 ZINC000368748119 532934083 /nfs/dbraw/zinc/93/40/83/532934083.db2.gz BEGMSPYHSPIDJQ-UHFFFAOYSA-N 1 2 391.269 2.279 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000368801688 532934553 /nfs/dbraw/zinc/93/45/53/532934553.db2.gz FDKICJPGGHJSIR-LBPRGKRZSA-N 1 2 382.258 2.167 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000368801688 532934555 /nfs/dbraw/zinc/93/45/55/532934555.db2.gz FDKICJPGGHJSIR-LBPRGKRZSA-N 1 2 382.258 2.167 20 0 GEADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000368974964 532936194 /nfs/dbraw/zinc/93/61/94/532936194.db2.gz SIQUDSYTRASEMI-RWEMILLDSA-N 1 2 381.230 2.178 20 0 GEADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000368974964 532936195 /nfs/dbraw/zinc/93/61/95/532936195.db2.gz SIQUDSYTRASEMI-RWEMILLDSA-N 1 2 381.230 2.178 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cs1 ZINC000369674322 532940352 /nfs/dbraw/zinc/94/03/52/532940352.db2.gz RIXRKWIVIGTFGY-UHFFFAOYSA-N 1 2 377.447 2.199 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369321391 532938389 /nfs/dbraw/zinc/93/83/89/532938389.db2.gz IJXHNKWPWQEEIY-HNNXBMFYSA-N 1 2 387.864 2.478 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)[C@@H]1c1cccc(Cl)c1 ZINC000369357035 532938856 /nfs/dbraw/zinc/93/88/56/532938856.db2.gz DHDBFBUJHPOLCC-SIIHOXLZSA-N 1 2 384.929 2.274 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)[C@@H]1c1cccc(Cl)c1 ZINC000369357035 532938858 /nfs/dbraw/zinc/93/88/58/532938858.db2.gz DHDBFBUJHPOLCC-SIIHOXLZSA-N 1 2 384.929 2.274 20 0 GEADLO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000370322444 532942906 /nfs/dbraw/zinc/94/29/06/532942906.db2.gz DIKQZUIDSKAIHH-LBPRGKRZSA-N 1 2 384.299 2.250 20 0 GEADLO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000370322444 532942907 /nfs/dbraw/zinc/94/29/07/532942907.db2.gz DIKQZUIDSKAIHH-LBPRGKRZSA-N 1 2 384.299 2.250 20 0 GEADLO Cc1csc(C[NH+]2CCC(n3cc(NS(=O)(=O)C(F)F)cn3)CC2)n1 ZINC000370375606 532943150 /nfs/dbraw/zinc/94/31/50/532943150.db2.gz WBHDFZOUFXSKOT-UHFFFAOYSA-N 1 2 391.469 2.449 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1SCCc2sccc21 ZINC000369725089 532940656 /nfs/dbraw/zinc/94/06/56/532940656.db2.gz FTCIGSBEVOSKKU-DOTOQJQBSA-N 1 2 384.592 2.403 20 0 GEADLO C[C@H](c1ncc(Br)cn1)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000370666911 532944781 /nfs/dbraw/zinc/94/47/81/532944781.db2.gz JOUNABZGGDOXGG-GFCCVEGCSA-N 1 2 380.290 2.369 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000370666355 532944868 /nfs/dbraw/zinc/94/48/68/532944868.db2.gz GVDKUVNTOIKBMD-HNNXBMFYSA-N 1 2 379.258 2.466 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000370831283 532945495 /nfs/dbraw/zinc/94/54/95/532945495.db2.gz TYUSVVUVYFCYLW-UHFFFAOYSA-N 1 2 377.297 2.155 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)c1cc2c(s1)CCS(=O)(=O)C2)c1ccccc1 ZINC000370538963 532944008 /nfs/dbraw/zinc/94/40/08/532944008.db2.gz PIAKNEILTJYZKL-HNNXBMFYSA-N 1 2 378.519 2.252 20 0 GEADLO Cc1c(Br)cccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000370556086 532944241 /nfs/dbraw/zinc/94/42/41/532944241.db2.gz JETSLUHUYSUNEC-GOSISDBHSA-N 1 2 397.313 2.369 20 0 GEADLO O=C(NCCc1ccc(Cl)s1)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000370607365 532944411 /nfs/dbraw/zinc/94/44/11/532944411.db2.gz AZYKUBWFVGMNAH-QGZVFWFLSA-N 1 2 387.933 2.125 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000371516218 532948375 /nfs/dbraw/zinc/94/83/75/532948375.db2.gz DFYHOOFNSJXHCC-GFCCVEGCSA-N 1 2 388.295 2.041 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000371516218 532948376 /nfs/dbraw/zinc/94/83/76/532948376.db2.gz DFYHOOFNSJXHCC-GFCCVEGCSA-N 1 2 388.295 2.041 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000371706605 532949306 /nfs/dbraw/zinc/94/93/06/532949306.db2.gz JMBZDRRMAZPBNS-UHFFFAOYSA-N 1 2 383.286 2.329 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2N[C@H]1CN(c2ccc(F)cc2)C1=O ZINC000371621093 532949067 /nfs/dbraw/zinc/94/90/67/532949067.db2.gz ZGHQVVXMRKCZJO-JTQLQIEISA-N 1 2 391.204 2.092 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000371051654 532946622 /nfs/dbraw/zinc/94/66/22/532946622.db2.gz ACKAIIYXLXXWKF-NSHDSACASA-N 1 2 375.372 2.497 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000371089651 532947038 /nfs/dbraw/zinc/94/70/38/532947038.db2.gz RYYYSVRIXQYWEL-CQSZACIVSA-N 1 2 389.253 2.086 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000371089651 532947039 /nfs/dbraw/zinc/94/70/39/532947039.db2.gz RYYYSVRIXQYWEL-CQSZACIVSA-N 1 2 389.253 2.086 20 0 GEADLO Cn1cc(C[C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3cccc(Br)c3)C2)cn1 ZINC000371226673 532947420 /nfs/dbraw/zinc/94/74/20/532947420.db2.gz AEWCTMSKFLYLDV-BLLLJJGKSA-N 1 2 377.286 2.274 20 0 GEADLO Cn1cc(C[C@@H]2CC[N@H+]([C@@H](C(N)=O)c3cccc(Br)c3)C2)cn1 ZINC000371226673 532947421 /nfs/dbraw/zinc/94/74/21/532947421.db2.gz AEWCTMSKFLYLDV-BLLLJJGKSA-N 1 2 377.286 2.274 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000275609798 570697213 /nfs/dbraw/zinc/69/72/13/570697213.db2.gz IOSYXJCIHWTYJL-GFCCVEGCSA-N 1 2 377.395 2.007 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000275609798 570697215 /nfs/dbraw/zinc/69/72/15/570697215.db2.gz IOSYXJCIHWTYJL-GFCCVEGCSA-N 1 2 377.395 2.007 20 0 GEADLO Cc1cc(NC(=O)CN(C)c2cc(N[C@H]3CCCO[C@@H]3C(C)C)[nH+]cn2)no1 ZINC000275764207 570699430 /nfs/dbraw/zinc/69/94/30/570699430.db2.gz RTBRNHPPHBXFSY-IFXJQAMLSA-N 1 2 388.472 2.463 20 0 GEADLO Cc1cc(NC(=O)CN(C)c2cc(N[C@H]3CCCO[C@@H]3C(C)C)nc[nH+]2)no1 ZINC000275764207 570699433 /nfs/dbraw/zinc/69/94/33/570699433.db2.gz RTBRNHPPHBXFSY-IFXJQAMLSA-N 1 2 388.472 2.463 20 0 GEADLO O=S(=O)(Nc1cc[nH+]cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000097147776 570899260 /nfs/dbraw/zinc/89/92/60/570899260.db2.gz GRBSGYNZOKZIOB-UHFFFAOYSA-N 1 2 395.506 2.447 20 0 GEADLO CCCCSCCC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736463549 598844733 /nfs/dbraw/zinc/84/47/33/598844733.db2.gz QSLXVLVKQVARKI-UHFFFAOYSA-N 1 2 388.541 2.434 20 0 GEADLO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000736901785 598861139 /nfs/dbraw/zinc/86/11/39/598861139.db2.gz ONWWQELFUILDNV-LJQANCHMSA-N 1 2 392.463 2.293 20 0 GEADLO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000736901785 598861140 /nfs/dbraw/zinc/86/11/40/598861140.db2.gz ONWWQELFUILDNV-LJQANCHMSA-N 1 2 392.463 2.293 20 0 GEADLO O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737880067 598917258 /nfs/dbraw/zinc/91/72/58/598917258.db2.gz YCXDQOAULZEIJO-OAHLLOKOSA-N 1 2 386.847 2.409 20 0 GEADLO O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737880067 598917259 /nfs/dbraw/zinc/91/72/59/598917259.db2.gz YCXDQOAULZEIJO-OAHLLOKOSA-N 1 2 386.847 2.409 20 0 GEADLO Cc1csc(C2([NH2+][C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CCC2)n1 ZINC000737455720 598961882 /nfs/dbraw/zinc/96/18/82/598961882.db2.gz WJGGSKZPBLMOLQ-OAHLLOKOSA-N 1 2 395.492 2.406 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(c2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000736204430 598968911 /nfs/dbraw/zinc/96/89/11/598968911.db2.gz ROUOMBGEKRMGNS-AWEZNQCLSA-N 1 2 387.451 2.088 20 0 GEADLO O=C(Nc1ccc(Cl)c(-c2nn[nH]n2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738162910 599035828 /nfs/dbraw/zinc/03/58/28/599035828.db2.gz HMDSHSBJSKXHFE-KRWDZBQOSA-N 1 2 398.854 2.360 20 0 GEADLO O=C(Nc1ccc(Cl)c(-c2nn[nH]n2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738162910 599035830 /nfs/dbraw/zinc/03/58/30/599035830.db2.gz HMDSHSBJSKXHFE-KRWDZBQOSA-N 1 2 398.854 2.360 20 0 GEADLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CCO1 ZINC000736592994 599047943 /nfs/dbraw/zinc/04/79/43/599047943.db2.gz GEMRABXIBQNFBR-IBGZPJMESA-N 1 2 393.447 2.298 20 0 GEADLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CCO1 ZINC000736592994 599047946 /nfs/dbraw/zinc/04/79/46/599047946.db2.gz GEMRABXIBQNFBR-IBGZPJMESA-N 1 2 393.447 2.298 20 0 GEADLO NC(=O)[C@H]([NH2+]Cc1csc(Br)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737240 599092520 /nfs/dbraw/zinc/09/25/20/599092520.db2.gz POCCJPYINSGNMN-GFCCVEGCSA-N 1 2 393.270 2.007 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000737034168 599118283 /nfs/dbraw/zinc/11/82/83/599118283.db2.gz XJUUZWKMHKFVNC-UHFFFAOYSA-N 1 2 393.407 2.321 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000737411369 599122626 /nfs/dbraw/zinc/12/26/26/599122626.db2.gz WYMURWCYRWMVPM-OAHLLOKOSA-N 1 2 391.479 2.466 20 0 GEADLO O=C(Cc1cc(F)ccc1F)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823074924 599135141 /nfs/dbraw/zinc/13/51/41/599135141.db2.gz ZISJKMQJPRFDBJ-UHFFFAOYSA-N 1 2 398.417 2.032 20 0 GEADLO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000736481683 599204330 /nfs/dbraw/zinc/20/43/30/599204330.db2.gz SKUUPLBLOOKIFM-HXUWFJFHSA-N 1 2 384.484 2.457 20 0 GEADLO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000736481683 599204332 /nfs/dbraw/zinc/20/43/32/599204332.db2.gz SKUUPLBLOOKIFM-HXUWFJFHSA-N 1 2 384.484 2.457 20 0 GEADLO CCC(CC)[C@H](C(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCOCC1 ZINC000736338599 599238774 /nfs/dbraw/zinc/23/87/74/599238774.db2.gz YOXVVTHTNYTCNI-RDTXWAMCSA-N 1 2 386.500 2.181 20 0 GEADLO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2NCCc1cn2ccccc2[nH+]1 ZINC000737660865 599265692 /nfs/dbraw/zinc/26/56/92/599265692.db2.gz TXBHZPBPRSHYBL-UHFFFAOYSA-N 1 2 392.373 2.417 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN(C(=O)C(C)(C)C)CC1 ZINC000737407525 599268071 /nfs/dbraw/zinc/26/80/71/599268071.db2.gz CFADNJKMWKHZBY-UHFFFAOYSA-N 1 2 379.468 2.418 20 0 GEADLO CCN(CC)C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC1 ZINC000736529653 599272407 /nfs/dbraw/zinc/27/24/07/599272407.db2.gz NWAFLGRFKWQMQS-UHFFFAOYSA-N 1 2 394.483 2.307 20 0 GEADLO CN(C(=O)NCCCCC(=O)[O-])[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000635530171 598170686 /nfs/dbraw/zinc/17/06/86/598170686.db2.gz RRBJPYCFOSYQOO-ZWKOTPCHSA-N 1 2 382.549 2.220 20 0 GEADLO CN(C(=O)NCCCCC(=O)[O-])[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000635530171 598170687 /nfs/dbraw/zinc/17/06/87/598170687.db2.gz RRBJPYCFOSYQOO-ZWKOTPCHSA-N 1 2 382.549 2.220 20 0 GEADLO Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000737640773 598236114 /nfs/dbraw/zinc/23/61/14/598236114.db2.gz PXOYJSYUSLGEON-UHFFFAOYSA-N 1 2 396.426 2.099 20 0 GEADLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735538179 598252433 /nfs/dbraw/zinc/25/24/33/598252433.db2.gz XDUJEAFDEQYNAQ-INIZCTEOSA-N 1 2 397.527 2.074 20 0 GEADLO CC(=O)Nc1cccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000735488920 598253770 /nfs/dbraw/zinc/25/37/70/598253770.db2.gz RUJJJCLDSDFQSO-UHFFFAOYSA-N 1 2 395.442 2.286 20 0 GEADLO Cc1nc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)nc2ccccc12 ZINC000737478507 598253827 /nfs/dbraw/zinc/25/38/27/598253827.db2.gz STPIYEOCYZFDKC-UHFFFAOYSA-N 1 2 386.463 2.441 20 0 GEADLO C[C@H]([NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)c1nncn1C ZINC000736135935 598284434 /nfs/dbraw/zinc/28/44/34/598284434.db2.gz QTVLZFGUILUXHM-AWEZNQCLSA-N 1 2 390.451 2.425 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1C[C@H](O)c1ccccc1 ZINC000736290600 598365847 /nfs/dbraw/zinc/36/58/47/598365847.db2.gz RLBOAVHKXHXHSR-UZLBHIALSA-N 1 2 378.480 2.106 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1C[C@H](O)c1ccccc1 ZINC000736290600 598365848 /nfs/dbraw/zinc/36/58/48/598365848.db2.gz RLBOAVHKXHXHSR-UZLBHIALSA-N 1 2 378.480 2.106 20 0 GEADLO CCCn1cc(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cn1 ZINC000736501520 598366588 /nfs/dbraw/zinc/36/65/88/598366588.db2.gz DEWLJGLEHVKZNZ-UHFFFAOYSA-N 1 2 398.490 2.320 20 0 GEADLO CCCn1cc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cn1 ZINC000736501520 598366591 /nfs/dbraw/zinc/36/65/91/598366591.db2.gz DEWLJGLEHVKZNZ-UHFFFAOYSA-N 1 2 398.490 2.320 20 0 GEADLO CCCn1cc(C[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cn1 ZINC000736501520 598366593 /nfs/dbraw/zinc/36/65/93/598366593.db2.gz DEWLJGLEHVKZNZ-UHFFFAOYSA-N 1 2 398.490 2.320 20 0 GEADLO CCCn1cc(C[N@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cn1 ZINC000736501520 598366595 /nfs/dbraw/zinc/36/65/95/598366595.db2.gz DEWLJGLEHVKZNZ-UHFFFAOYSA-N 1 2 398.490 2.320 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737551191 598374547 /nfs/dbraw/zinc/37/45/47/598374547.db2.gz GQJXWYBDKVZCFK-HNNXBMFYSA-N 1 2 381.440 2.201 20 0 GEADLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](Nc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737551191 598374548 /nfs/dbraw/zinc/37/45/48/598374548.db2.gz GQJXWYBDKVZCFK-HNNXBMFYSA-N 1 2 381.440 2.201 20 0 GEADLO Clc1cc(-c2nn[nH]n2)cnc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000737559382 598386813 /nfs/dbraw/zinc/38/68/13/598386813.db2.gz VHOPRAMPAGCBAU-UHFFFAOYSA-N 1 2 377.880 2.362 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@H](c2ccccc2F)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737842913 598461369 /nfs/dbraw/zinc/46/13/69/598461369.db2.gz FHZKJZQCKVIOOQ-SFHVURJKSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(CC[N@H+]1CCO[C@H](c2ccccc2F)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737842913 598461371 /nfs/dbraw/zinc/46/13/71/598461371.db2.gz FHZKJZQCKVIOOQ-SFHVURJKSA-N 1 2 396.426 2.408 20 0 GEADLO C[C@H](Cn1cccn1)Nc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000736081574 598543381 /nfs/dbraw/zinc/54/33/81/598543381.db2.gz SCPKUWXLWJPNNG-SNVBAGLBSA-N 1 2 386.366 2.135 20 0 GEADLO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)c1nncn1C ZINC000736135153 598561259 /nfs/dbraw/zinc/56/12/59/598561259.db2.gz NMWULERXFUAOIH-AWEZNQCLSA-N 1 2 390.451 2.425 20 0 GEADLO CC(C)[C@H](C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000736288318 598597264 /nfs/dbraw/zinc/59/72/64/598597264.db2.gz AJIIUHBRGITLNZ-XHBSWPGZSA-N 1 2 376.436 2.078 20 0 GEADLO CN1CC[NH+](Cc2ccc(C(=O)Nc3ccc(F)c(-c4nn[nH]n4)c3)cc2)CC1 ZINC000736864460 598606356 /nfs/dbraw/zinc/60/63/56/598606356.db2.gz QYAHLBVIJCJXQS-UHFFFAOYSA-N 1 2 395.442 2.006 20 0 GEADLO c1cc(C[NH+]2CCOCC2)cc(-c2noc(-c3cccc(-c4nn[nH]n4)c3)n2)c1 ZINC000738411137 598611870 /nfs/dbraw/zinc/61/18/70/598611870.db2.gz RDUGYMWTPUPPPR-UHFFFAOYSA-N 1 2 389.419 2.416 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000736591561 598617620 /nfs/dbraw/zinc/61/76/20/598617620.db2.gz VSKBMAIASWSQFF-SFHVURJKSA-N 1 2 395.463 2.352 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000736591561 598617622 /nfs/dbraw/zinc/61/76/22/598617622.db2.gz VSKBMAIASWSQFF-SFHVURJKSA-N 1 2 395.463 2.352 20 0 GEADLO C[C@H](c1ccncc1)[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000736204035 598620968 /nfs/dbraw/zinc/62/09/68/598620968.db2.gz QDIXTNLAJBBIRW-CYBMUJFWSA-N 1 2 392.423 2.393 20 0 GEADLO Clc1ccc(-c2nn[nH]n2)c(N2CC[NH+](Cc3cn4ccccc4n3)CC2)c1 ZINC000737570384 598632216 /nfs/dbraw/zinc/63/22/16/598632216.db2.gz GNVJMAFVTJVYIU-UHFFFAOYSA-N 1 2 394.870 2.490 20 0 GEADLO COc1ccc(C(N)=[NH+]OCCCOc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000737077381 598698636 /nfs/dbraw/zinc/69/86/36/598698636.db2.gz WWDBEEDFLLELLG-UHFFFAOYSA-N 1 2 398.423 2.200 20 0 GEADLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCSCC2)c1-c1nn[nH]n1 ZINC000737201634 598759548 /nfs/dbraw/zinc/75/95/48/598759548.db2.gz FIRPMHYMAQXEQF-UHFFFAOYSA-N 1 2 397.508 2.262 20 0 GEADLO Cc1cc(Oc2ncccc2-c2nn[nH]n2)ccc1NC(=O)Cn1cc[nH+]c1 ZINC000737279657 599319650 /nfs/dbraw/zinc/31/96/50/599319650.db2.gz LGBKTCSBJYENNV-UHFFFAOYSA-N 1 2 376.380 2.198 20 0 GEADLO CCO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000736612613 599474961 /nfs/dbraw/zinc/47/49/61/599474961.db2.gz AVMYYKINPXAMSN-AWEZNQCLSA-N 1 2 398.471 2.060 20 0 GEADLO CCO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000736612613 599474962 /nfs/dbraw/zinc/47/49/62/599474962.db2.gz AVMYYKINPXAMSN-AWEZNQCLSA-N 1 2 398.471 2.060 20 0 GEADLO O=C(NC1CC1)c1cccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)c1 ZINC000823144783 599481588 /nfs/dbraw/zinc/48/15/88/599481588.db2.gz LXVDJHCMDYTHJI-UHFFFAOYSA-N 1 2 385.431 2.341 20 0 GEADLO Fc1cc(-c2nn[nH]n2)ccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000822748336 599496479 /nfs/dbraw/zinc/49/64/79/599496479.db2.gz UQUUWHHTHUJYNA-UHFFFAOYSA-N 1 2 398.442 2.329 20 0 GEADLO Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)[nH+]1 ZINC000737244648 599537020 /nfs/dbraw/zinc/53/70/20/599537020.db2.gz JDJPHNHKWHFARG-UHFFFAOYSA-N 1 2 397.870 2.381 20 0 GEADLO C[C@@](O)(CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)c1ccc(F)cc1F ZINC000820467901 599556672 /nfs/dbraw/zinc/55/66/72/599556672.db2.gz OIPNVMYVMOWGFU-LJQANCHMSA-N 1 2 382.374 2.435 20 0 GEADLO CN1CC[N@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)Cc2ccccc21 ZINC000821628506 599571184 /nfs/dbraw/zinc/57/11/84/599571184.db2.gz KDPZRFLGXRMGSZ-UHFFFAOYSA-N 1 2 388.435 2.369 20 0 GEADLO CN1CC[N@@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)Cc2ccccc21 ZINC000821628506 599571187 /nfs/dbraw/zinc/57/11/87/599571187.db2.gz KDPZRFLGXRMGSZ-UHFFFAOYSA-N 1 2 388.435 2.369 20 0 GEADLO CC[N@@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)C[C@@H](O)c1ccc(C)cc1 ZINC000821169715 599644448 /nfs/dbraw/zinc/64/44/48/599644448.db2.gz BNCNFAWEBIMKEN-OAHLLOKOSA-N 1 2 386.481 2.231 20 0 GEADLO CC[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)C[C@@H](O)c1ccc(C)cc1 ZINC000821169715 599644449 /nfs/dbraw/zinc/64/44/49/599644449.db2.gz BNCNFAWEBIMKEN-OAHLLOKOSA-N 1 2 386.481 2.231 20 0 GEADLO C[C@H](Sc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000736712921 600495438 /nfs/dbraw/zinc/49/54/38/600495438.db2.gz RQWQOGVGSRHNCG-LSDHHAIUSA-N 1 2 391.537 2.150 20 0 GEADLO C[C@H](Sc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000736712921 600495441 /nfs/dbraw/zinc/49/54/41/600495441.db2.gz RQWQOGVGSRHNCG-LSDHHAIUSA-N 1 2 391.537 2.150 20 0 GEADLO C[NH+]1CCC(CNC(=O)NCc2ccc(C(=O)[O-])cc2)([NH+]2CCCCC2)CC1 ZINC000818478093 600811528 /nfs/dbraw/zinc/81/15/28/600811528.db2.gz AGKOJABBIHAIEL-UHFFFAOYSA-N 1 2 388.512 2.134 20 0 GEADLO Cc1[nH]c(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)c1C(=O)[O-] ZINC000832843542 600825010 /nfs/dbraw/zinc/82/50/10/600825010.db2.gz DKHAIRAUDNHUFU-UHFFFAOYSA-N 1 2 377.485 2.089 20 0 GEADLO Clc1ccccc1OCCN1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826354129 607480385 /nfs/dbraw/zinc/48/03/85/607480385.db2.gz QLGOFOVIWJMGRD-UHFFFAOYSA-N 1 2 399.886 2.112 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000738015969 601029949 /nfs/dbraw/zinc/02/99/49/601029949.db2.gz GCXCZDAYVFHWFF-UHFFFAOYSA-N 1 2 377.489 2.291 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000738015969 601029951 /nfs/dbraw/zinc/02/99/51/601029951.db2.gz GCXCZDAYVFHWFF-UHFFFAOYSA-N 1 2 377.489 2.291 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826473157 607489068 /nfs/dbraw/zinc/48/90/68/607489068.db2.gz MTBYXTCKMOVVHW-UHFFFAOYSA-N 1 2 397.870 2.263 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826473157 607489070 /nfs/dbraw/zinc/48/90/70/607489070.db2.gz MTBYXTCKMOVVHW-UHFFFAOYSA-N 1 2 397.870 2.263 20 0 GEADLO COc1ccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826195206 607489119 /nfs/dbraw/zinc/48/91/19/607489119.db2.gz LIQPDPQHODQBST-UHFFFAOYSA-N 1 2 384.484 2.100 20 0 GEADLO OCC1CCN(c2ccc(NCc3ccc(-c4nn[nH]n4)cc3F)[nH+]c2)CC1 ZINC000823713725 607489653 /nfs/dbraw/zinc/48/96/53/607489653.db2.gz IYSRXYMPLGYUGK-UHFFFAOYSA-N 1 2 383.431 2.222 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CCN1c1nc2ccccc2o1 ZINC000824994514 607496116 /nfs/dbraw/zinc/49/61/16/607496116.db2.gz VAODMGRIOJHZMQ-ZDUSSCGKSA-N 1 2 376.424 2.114 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)CCN1c1nc2ccccc2o1 ZINC000824994514 607496117 /nfs/dbraw/zinc/49/61/17/607496117.db2.gz VAODMGRIOJHZMQ-ZDUSSCGKSA-N 1 2 376.424 2.114 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](C)[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000263330126 601512606 /nfs/dbraw/zinc/51/26/06/601512606.db2.gz LJKQFRQUFBREBH-YLJYHZDGSA-N 1 2 387.524 2.107 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](C)[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000263330126 601512608 /nfs/dbraw/zinc/51/26/08/601512608.db2.gz LJKQFRQUFBREBH-YLJYHZDGSA-N 1 2 387.524 2.107 20 0 GEADLO C[C@@H](C(=O)[O-])[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000826045261 601654070 /nfs/dbraw/zinc/65/40/70/601654070.db2.gz REXBGWCUPCDCGK-GCJKJVERSA-N 1 2 395.503 2.382 20 0 GEADLO COc1ccc(COC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000826204159 607607340 /nfs/dbraw/zinc/60/73/40/607607340.db2.gz ABZQYQKCMVPOMJ-CQSZACIVSA-N 1 2 381.436 2.439 20 0 GEADLO COc1ccc(COC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000826204159 607607343 /nfs/dbraw/zinc/60/73/43/607607343.db2.gz ABZQYQKCMVPOMJ-CQSZACIVSA-N 1 2 381.436 2.439 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)Nc1cc(C)[nH+]cc1C ZINC000826175414 607613203 /nfs/dbraw/zinc/61/32/03/607613203.db2.gz DLWOAMMBEJDTKG-UHFFFAOYSA-N 1 2 382.424 2.107 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccccc1-c1nn[nH]n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824648616 607653563 /nfs/dbraw/zinc/65/35/63/607653563.db2.gz HLMPBKLSKHMZAW-ZDUSSCGKSA-N 1 2 395.448 2.092 20 0 GEADLO CN(C(=O)[O-])[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC000827890789 603849644 /nfs/dbraw/zinc/84/96/44/603849644.db2.gz UASSJMIFXNTEHP-CVEARBPZSA-N 1 2 384.521 2.002 20 0 GEADLO CN(C(=O)[O-])[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC000827890789 603849647 /nfs/dbraw/zinc/84/96/47/603849647.db2.gz UASSJMIFXNTEHP-CVEARBPZSA-N 1 2 384.521 2.002 20 0 GEADLO CN(C(=O)[O-])[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC000827890789 603849653 /nfs/dbraw/zinc/84/96/53/603849653.db2.gz UASSJMIFXNTEHP-CVEARBPZSA-N 1 2 384.521 2.002 20 0 GEADLO CN(C(=O)[O-])[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC000827890789 603849657 /nfs/dbraw/zinc/84/96/57/603849657.db2.gz UASSJMIFXNTEHP-CVEARBPZSA-N 1 2 384.521 2.002 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000826250846 607671643 /nfs/dbraw/zinc/67/16/43/607671643.db2.gz VJSWGFWSUTTYRV-UHFFFAOYSA-N 1 2 391.479 2.175 20 0 GEADLO CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000833417319 604928309 /nfs/dbraw/zinc/92/83/09/604928309.db2.gz PERLWBIDGQQWSW-INIZCTEOSA-N 1 2 393.553 2.215 20 0 GEADLO CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000833417319 604928311 /nfs/dbraw/zinc/92/83/11/604928311.db2.gz PERLWBIDGQQWSW-INIZCTEOSA-N 1 2 393.553 2.215 20 0 GEADLO C[C@@]1([NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCC[C@H]1C(=O)[O-] ZINC000833573537 605063458 /nfs/dbraw/zinc/06/34/58/605063458.db2.gz SPYCMDDUAWQPJO-QFBILLFUSA-N 1 2 379.526 2.015 20 0 GEADLO C[C@]1([NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCCC[C@H]1C(=O)[O-] ZINC000833574234 605072456 /nfs/dbraw/zinc/07/24/56/605072456.db2.gz ZXBXRISWEYMQSU-LPHOPBHVSA-N 1 2 379.526 2.015 20 0 GEADLO O=C([O-])N1CCC[C@@H](CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000831986406 605252565 /nfs/dbraw/zinc/25/25/65/605252565.db2.gz RBHABYGFXTUKEL-HNNXBMFYSA-N 1 2 387.484 2.240 20 0 GEADLO O=C(Nc1nc(-c2cccc(-c3nn[nH]n3)c2)cs1)[C@H]1CCn2c[nH+]cc2C1 ZINC000826459264 607771558 /nfs/dbraw/zinc/77/15/58/607771558.db2.gz CCPIDGHECBDUFK-ZDUSSCGKSA-N 1 2 392.448 2.388 20 0 GEADLO CC[N@H+](Cc1csc(CC(=O)NC)n1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821230940 606100389 /nfs/dbraw/zinc/10/03/89/606100389.db2.gz VKPLIGJBPYFJNR-LBPRGKRZSA-N 1 2 385.497 2.195 20 0 GEADLO CC[N@@H+](Cc1csc(CC(=O)NC)n1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821230940 606100391 /nfs/dbraw/zinc/10/03/91/606100391.db2.gz VKPLIGJBPYFJNR-LBPRGKRZSA-N 1 2 385.497 2.195 20 0 GEADLO C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1-c1nn[nH]n1 ZINC000821622339 606185794 /nfs/dbraw/zinc/18/57/94/606185794.db2.gz ZNBLMSBWZWXNHH-UHFFFAOYSA-N 1 2 397.571 2.495 20 0 GEADLO CN1CCN(C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)c2ccccc2)CC1 ZINC000821627361 606217209 /nfs/dbraw/zinc/21/72/09/606217209.db2.gz YGTPEOHWOQYGSX-SFHVURJKSA-N 1 2 383.525 2.007 20 0 GEADLO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000822541755 606312755 /nfs/dbraw/zinc/31/27/55/606312755.db2.gz PXZPNVIDRHCYDA-UHFFFAOYSA-N 1 2 378.396 2.272 20 0 GEADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000821652298 606317373 /nfs/dbraw/zinc/31/73/73/606317373.db2.gz PKIQOWCTPPBQBJ-WMZOPIPTSA-N 1 2 393.451 2.059 20 0 GEADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000821652298 606317374 /nfs/dbraw/zinc/31/73/74/606317374.db2.gz PKIQOWCTPPBQBJ-WMZOPIPTSA-N 1 2 393.451 2.059 20 0 GEADLO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821000839 606331815 /nfs/dbraw/zinc/33/18/15/606331815.db2.gz KBACLDPHOJFUPP-JKSUJKDBSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821000839 606331816 /nfs/dbraw/zinc/33/18/16/606331816.db2.gz KBACLDPHOJFUPP-JKSUJKDBSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821000838 606331882 /nfs/dbraw/zinc/33/18/82/606331882.db2.gz KBACLDPHOJFUPP-HZPDHXFCSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821000838 606331883 /nfs/dbraw/zinc/33/18/83/606331883.db2.gz KBACLDPHOJFUPP-HZPDHXFCSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821000822 606334463 /nfs/dbraw/zinc/33/44/63/606334463.db2.gz JZRCDLDUCQCHQO-ROUUACIJSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@H]1CN2CCCC[C@H]2C[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821000822 606334465 /nfs/dbraw/zinc/33/44/65/606334465.db2.gz JZRCDLDUCQCHQO-ROUUACIJSA-N 1 2 383.500 2.144 20 0 GEADLO O=C(C[NH+]1CCC(c2c[nH]cn2)CC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822993794 606334804 /nfs/dbraw/zinc/33/48/04/606334804.db2.gz YPNWRLSGHCPRNS-UHFFFAOYSA-N 1 2 386.847 2.061 20 0 GEADLO Cc1cccn2cc(CCNC(=O)Nc3ccc(F)cc3-c3nn[nH]n3)[nH+]c12 ZINC000822366826 606349663 /nfs/dbraw/zinc/34/96/63/606349663.db2.gz UXDZZFPXERPIBT-UHFFFAOYSA-N 1 2 380.387 2.326 20 0 GEADLO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)c2ccc(F)cc2C1=O ZINC000821104570 606395081 /nfs/dbraw/zinc/39/50/81/606395081.db2.gz IXVICIKDJNJZIC-UHFFFAOYSA-N 1 2 394.410 2.472 20 0 GEADLO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)c2ccc(F)cc2C1=O ZINC000821104570 606395083 /nfs/dbraw/zinc/39/50/83/606395083.db2.gz IXVICIKDJNJZIC-UHFFFAOYSA-N 1 2 394.410 2.472 20 0 GEADLO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821613645 606483813 /nfs/dbraw/zinc/48/38/13/606483813.db2.gz WPCWAOWORPLARR-UHFFFAOYSA-N 1 2 388.378 2.199 20 0 GEADLO C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821613645 606483815 /nfs/dbraw/zinc/48/38/15/606483815.db2.gz WPCWAOWORPLARR-UHFFFAOYSA-N 1 2 388.378 2.199 20 0 GEADLO O=C(Cc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000823087220 606519447 /nfs/dbraw/zinc/51/94/47/606519447.db2.gz KXMMDYLVLGFCGC-UITAMQMPSA-N 1 2 388.475 2.267 20 0 GEADLO O=C(C[N@H+](CCc1ccccc1)[C@@H]1CCOC1)Nc1sccc1-c1nn[nH]n1 ZINC000822993715 606526696 /nfs/dbraw/zinc/52/66/96/606526696.db2.gz WOJDIPTWNXMTMF-OAHLLOKOSA-N 1 2 398.492 2.200 20 0 GEADLO O=C(C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1)Nc1sccc1-c1nn[nH]n1 ZINC000822993715 606526698 /nfs/dbraw/zinc/52/66/98/606526698.db2.gz WOJDIPTWNXMTMF-OAHLLOKOSA-N 1 2 398.492 2.200 20 0 GEADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000819923086 606618245 /nfs/dbraw/zinc/61/82/45/606618245.db2.gz VDEBMQFFZWGLIV-CQSZACIVSA-N 1 2 397.439 2.080 20 0 GEADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000819923086 606618246 /nfs/dbraw/zinc/61/82/46/606618246.db2.gz VDEBMQFFZWGLIV-CQSZACIVSA-N 1 2 397.439 2.080 20 0 GEADLO O=C1[C@H]2CCCCC[C@H]2N1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823521330 606632527 /nfs/dbraw/zinc/63/25/27/606632527.db2.gz VETBCJRAPFGJET-RBUKOAKNSA-N 1 2 396.495 2.459 20 0 GEADLO O=C1[C@H]2CCCCC[C@H]2N1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823520900 606632571 /nfs/dbraw/zinc/63/25/71/606632571.db2.gz OVSBDRLUBVLFGC-RBUKOAKNSA-N 1 2 396.495 2.459 20 0 GEADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823257461 606668978 /nfs/dbraw/zinc/66/89/78/606668978.db2.gz NMRZLBGUEFXUDJ-UHFFFAOYSA-N 1 2 395.373 2.320 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1C ZINC000821698305 606676179 /nfs/dbraw/zinc/67/61/79/606676179.db2.gz DVMXKVZQKAOVID-UHFFFAOYSA-N 1 2 388.378 2.438 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000821701927 606755061 /nfs/dbraw/zinc/75/50/61/606755061.db2.gz AXFRJHCGMXLHNF-MRXNPFEDSA-N 1 2 387.465 2.389 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000821701927 606755062 /nfs/dbraw/zinc/75/50/62/606755062.db2.gz AXFRJHCGMXLHNF-MRXNPFEDSA-N 1 2 387.465 2.389 20 0 GEADLO CC(C)Oc1ccccc1C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000820178351 606776630 /nfs/dbraw/zinc/77/66/30/606776630.db2.gz NNTRNOGXNGCGQH-OAHLLOKOSA-N 1 2 394.483 2.155 20 0 GEADLO CC(C)Oc1ccccc1C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000820178351 606776632 /nfs/dbraw/zinc/77/66/32/606776632.db2.gz NNTRNOGXNGCGQH-OAHLLOKOSA-N 1 2 394.483 2.155 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCc1ccccc1Cl ZINC000820789000 606782767 /nfs/dbraw/zinc/78/27/67/606782767.db2.gz SWBXPCARROPWSF-ZDUSSCGKSA-N 1 2 384.875 2.063 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCc1ccccc1Cl ZINC000820789000 606782768 /nfs/dbraw/zinc/78/27/68/606782768.db2.gz SWBXPCARROPWSF-ZDUSSCGKSA-N 1 2 384.875 2.063 20 0 GEADLO Cc1cccc(CN2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822304340 606846521 /nfs/dbraw/zinc/84/65/21/606846521.db2.gz TWSOJSANAZYIBT-HXUWFJFHSA-N 1 2 378.480 2.026 20 0 GEADLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1F ZINC000822694227 606849262 /nfs/dbraw/zinc/84/92/62/606849262.db2.gz ZFCXOXYKKNYPHN-MSOLQXFVSA-N 1 2 393.426 2.152 20 0 GEADLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1F ZINC000822694229 606849283 /nfs/dbraw/zinc/84/92/83/606849283.db2.gz ZFCXOXYKKNYPHN-ROUUACIJSA-N 1 2 393.426 2.152 20 0 GEADLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1F ZINC000822694228 606849416 /nfs/dbraw/zinc/84/94/16/606849416.db2.gz ZFCXOXYKKNYPHN-QZTJIDSGSA-N 1 2 393.426 2.152 20 0 GEADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823673993 606915713 /nfs/dbraw/zinc/91/57/13/606915713.db2.gz OJNTVFQZFHIFQL-VQIMIIECSA-N 1 2 383.427 2.330 20 0 GEADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823673993 606915715 /nfs/dbraw/zinc/91/57/15/606915715.db2.gz OJNTVFQZFHIFQL-VQIMIIECSA-N 1 2 383.427 2.330 20 0 GEADLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000823383092 606927137 /nfs/dbraw/zinc/92/71/37/606927137.db2.gz KWPWRIDPQFQORZ-OAHLLOKOSA-N 1 2 399.480 2.195 20 0 GEADLO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000823383092 606927139 /nfs/dbraw/zinc/92/71/39/606927139.db2.gz KWPWRIDPQFQORZ-OAHLLOKOSA-N 1 2 399.480 2.195 20 0 GEADLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821611212 606974610 /nfs/dbraw/zinc/97/46/10/606974610.db2.gz VTXACZNPJVMCCB-UHFFFAOYSA-N 1 2 375.429 2.041 20 0 GEADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821611212 606974611 /nfs/dbraw/zinc/97/46/11/606974611.db2.gz VTXACZNPJVMCCB-UHFFFAOYSA-N 1 2 375.429 2.041 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)Nc1sccc1-c1nn[nH]n1 ZINC000822996806 606985919 /nfs/dbraw/zinc/98/59/19/606985919.db2.gz JJXREOXLYCGTNH-YPMHNXCESA-N 1 2 388.453 2.048 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)Nc1sccc1-c1nn[nH]n1 ZINC000822996806 606985920 /nfs/dbraw/zinc/98/59/20/606985920.db2.gz JJXREOXLYCGTNH-YPMHNXCESA-N 1 2 388.453 2.048 20 0 GEADLO Cc1nnc(N2CC[C@@H]([N@@H+](C)Cc3ncc(C(C)C)o3)C2)c(-c2nn[nH]n2)c1C ZINC000822510696 607044859 /nfs/dbraw/zinc/04/48/59/607044859.db2.gz UZTRNAMZQNTEOX-CQSZACIVSA-N 1 2 397.487 2.096 20 0 GEADLO Cc1nnc(N2CC[C@@H]([N@H+](C)Cc3ncc(C(C)C)o3)C2)c(-c2nn[nH]n2)c1C ZINC000822510696 607044861 /nfs/dbraw/zinc/04/48/61/607044861.db2.gz UZTRNAMZQNTEOX-CQSZACIVSA-N 1 2 397.487 2.096 20 0 GEADLO Fc1ccc(-c2nn[nH]n2)c(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC000822758686 607067044 /nfs/dbraw/zinc/06/70/44/607067044.db2.gz WDWOJEXYXGJQAY-UHFFFAOYSA-N 1 2 387.850 2.372 20 0 GEADLO C[C@H](C(=O)OCc1cc(F)ccc1-c1nn[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000819884011 607083222 /nfs/dbraw/zinc/08/32/22/607083222.db2.gz QJRQNXQVMQFADP-CYBMUJFWSA-N 1 2 381.411 2.496 20 0 GEADLO C[C@H](C(=O)OCc1cc(F)ccc1-c1nn[nH]n1)[N@H+]1CCc2ccccc2C1 ZINC000819884011 607083224 /nfs/dbraw/zinc/08/32/24/607083224.db2.gz QJRQNXQVMQFADP-CYBMUJFWSA-N 1 2 381.411 2.496 20 0 GEADLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820339589 607096809 /nfs/dbraw/zinc/09/68/09/607096809.db2.gz DIAKOCXYENAGKQ-ZQIUZPCESA-N 1 2 380.456 2.417 20 0 GEADLO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000820151507 607193830 /nfs/dbraw/zinc/19/38/30/607193830.db2.gz JPUCGGHRUZJHIW-UHFFFAOYSA-N 1 2 384.444 2.404 20 0 GEADLO C[C@@H](c1cccs1)[N@H+](C)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824770049 607815091 /nfs/dbraw/zinc/81/50/91/607815091.db2.gz DAUZDLYTEOSPNR-LBPRGKRZSA-N 1 2 377.495 2.395 20 0 GEADLO C[C@@H](c1cccs1)[N@@H+](C)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824770049 607815092 /nfs/dbraw/zinc/81/50/92/607815092.db2.gz DAUZDLYTEOSPNR-LBPRGKRZSA-N 1 2 377.495 2.395 20 0 GEADLO CC[C@@](C)([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1nccs1 ZINC000825045280 607829905 /nfs/dbraw/zinc/82/99/05/607829905.db2.gz YXPHMKIADHZKDQ-MRXNPFEDSA-N 1 2 392.510 2.012 20 0 GEADLO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)CC2 ZINC000826212997 608037955 /nfs/dbraw/zinc/03/79/55/608037955.db2.gz IDXFGJZRFWCNHF-UHFFFAOYSA-N 1 2 396.451 2.124 20 0 GEADLO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)CC2 ZINC000826212997 608037956 /nfs/dbraw/zinc/03/79/56/608037956.db2.gz IDXFGJZRFWCNHF-UHFFFAOYSA-N 1 2 396.451 2.124 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CCO2)c1 ZINC000826513700 608052916 /nfs/dbraw/zinc/05/29/16/608052916.db2.gz TXTHGEQRRSGGDA-KRWDZBQOSA-N 1 2 392.467 2.225 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)CCO2)c1 ZINC000826513700 608052917 /nfs/dbraw/zinc/05/29/17/608052917.db2.gz TXTHGEQRRSGGDA-KRWDZBQOSA-N 1 2 392.467 2.225 20 0 GEADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736291882 608065153 /nfs/dbraw/zinc/06/51/53/608065153.db2.gz NJYYNPGRSCRNLH-LBPRGKRZSA-N 1 2 376.436 2.447 20 0 GEADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736291882 608065154 /nfs/dbraw/zinc/06/51/54/608065154.db2.gz NJYYNPGRSCRNLH-LBPRGKRZSA-N 1 2 376.436 2.447 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029537 608121278 /nfs/dbraw/zinc/12/12/78/608121278.db2.gz SROQJOFTKDCEOK-IRXDYDNUSA-N 1 2 384.390 2.320 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029537 608121279 /nfs/dbraw/zinc/12/12/79/608121279.db2.gz SROQJOFTKDCEOK-IRXDYDNUSA-N 1 2 384.390 2.320 20 0 GEADLO Cc1cccc2c(NCc3nncn3-c3ccccc3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000826304992 608366154 /nfs/dbraw/zinc/36/61/54/608366154.db2.gz GNEUIJPTXHQOPY-UHFFFAOYSA-N 1 2 383.419 2.338 20 0 GEADLO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2NCCCNc1cccc[nH+]1 ZINC000826375709 608370388 /nfs/dbraw/zinc/37/03/88/608370388.db2.gz YYYWBCIUXROUDO-UHFFFAOYSA-N 1 2 382.378 2.424 20 0 GEADLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1F ZINC000824599460 608433535 /nfs/dbraw/zinc/43/35/35/608433535.db2.gz PGESQHLSWUTJNN-NSHDSACASA-N 1 2 393.419 2.269 20 0 GEADLO CC(C)(C)n1cc(CN2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)cn1 ZINC000824147659 608685873 /nfs/dbraw/zinc/68/58/73/608685873.db2.gz FVMUWPKIVXCCBT-UHFFFAOYSA-N 1 2 386.529 2.198 20 0 GEADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000825938707 608717303 /nfs/dbraw/zinc/71/73/03/608717303.db2.gz WWADHBUBNARXBQ-UHFFFAOYSA-N 1 2 383.525 2.182 20 0 GEADLO CCOC(=O)C1([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)CCCCC1 ZINC000825493487 608731719 /nfs/dbraw/zinc/73/17/19/608731719.db2.gz MBPJVSIDXLBQOD-UHFFFAOYSA-N 1 2 383.456 2.212 20 0 GEADLO CCOC(=O)C1([N@@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)CCCCC1 ZINC000825493487 608731722 /nfs/dbraw/zinc/73/17/22/608731722.db2.gz MBPJVSIDXLBQOD-UHFFFAOYSA-N 1 2 383.456 2.212 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000825001349 608839016 /nfs/dbraw/zinc/83/90/16/608839016.db2.gz ZQGUDKNZNMMYJB-PYLYLYNFSA-N 1 2 380.431 2.020 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000825001349 608839019 /nfs/dbraw/zinc/83/90/19/608839019.db2.gz ZQGUDKNZNMMYJB-PYLYLYNFSA-N 1 2 380.431 2.020 20 0 GEADLO O[C@H]1C[C@@H](c2ccc(F)c(F)c2)[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826506158 608851622 /nfs/dbraw/zinc/85/16/22/608851622.db2.gz NSTMKSRDEAHCRQ-YOEHRIQHSA-N 1 2 397.389 2.101 20 0 GEADLO O[C@H]1C[C@@H](c2ccc(F)c(F)c2)[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826506158 608851626 /nfs/dbraw/zinc/85/16/26/608851626.db2.gz NSTMKSRDEAHCRQ-YOEHRIQHSA-N 1 2 397.389 2.101 20 0 GEADLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc(OC)c1 ZINC000826179610 608853487 /nfs/dbraw/zinc/85/34/87/608853487.db2.gz WEIZAYQHSRWYPR-LJQANCHMSA-N 1 2 381.436 2.457 20 0 GEADLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc(OC)c1 ZINC000826179610 608853488 /nfs/dbraw/zinc/85/34/88/608853488.db2.gz WEIZAYQHSRWYPR-LJQANCHMSA-N 1 2 381.436 2.457 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)sc2C1 ZINC000826045176 609286563 /nfs/dbraw/zinc/28/65/63/609286563.db2.gz RETNRDDFESXXIH-UHFFFAOYSA-N 1 2 375.845 2.217 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)sc2C1 ZINC000826045176 609286565 /nfs/dbraw/zinc/28/65/65/609286565.db2.gz RETNRDDFESXXIH-UHFFFAOYSA-N 1 2 375.845 2.217 20 0 GEADLO Fc1cccc(-n2ccc(NCc3cccc4[nH+]ccn43)n2)c1-c1nn[nH]n1 ZINC000826376947 609320912 /nfs/dbraw/zinc/32/09/12/609320912.db2.gz YTRVOKWJRKNHCN-UHFFFAOYSA-N 1 2 375.371 2.451 20 0 GEADLO CC(C)c1nnc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000824364948 609415993 /nfs/dbraw/zinc/41/59/93/609415993.db2.gz WPRVUUHTNVLUNO-CQSZACIVSA-N 1 2 398.496 2.127 20 0 GEADLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000826218750 609424917 /nfs/dbraw/zinc/42/49/17/609424917.db2.gz KGBZPMHXNGBXNF-AWEZNQCLSA-N 1 2 391.378 2.300 20 0 GEADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825251848 609430016 /nfs/dbraw/zinc/43/00/16/609430016.db2.gz DRIWTPNEYMGGKC-HNNXBMFYSA-N 1 2 387.488 2.483 20 0 GEADLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825251848 609430018 /nfs/dbraw/zinc/43/00/18/609430018.db2.gz DRIWTPNEYMGGKC-HNNXBMFYSA-N 1 2 387.488 2.483 20 0 GEADLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825512225 609439705 /nfs/dbraw/zinc/43/97/05/609439705.db2.gz ZAYGLXWYHSELAX-UHFFFAOYSA-N 1 2 384.415 2.356 20 0 GEADLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825512225 609439707 /nfs/dbraw/zinc/43/97/07/609439707.db2.gz ZAYGLXWYHSELAX-UHFFFAOYSA-N 1 2 384.415 2.356 20 0 GEADLO Cc1ccnc(NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1-c1nn[nH]n1 ZINC000826313810 609531863 /nfs/dbraw/zinc/53/18/63/609531863.db2.gz URPRWTGCTDKTLD-GOSISDBHSA-N 1 2 392.511 2.361 20 0 GEADLO Cc1ccnc(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1-c1nn[nH]n1 ZINC000826313810 609531866 /nfs/dbraw/zinc/53/18/66/609531866.db2.gz URPRWTGCTDKTLD-GOSISDBHSA-N 1 2 392.511 2.361 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000447140272 649999517 /nfs/dbraw/zinc/99/95/17/649999517.db2.gz SLPJRFDTGRTSCG-LLVKDONJSA-N 1 2 391.269 2.098 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000447140272 649999519 /nfs/dbraw/zinc/99/95/19/649999519.db2.gz SLPJRFDTGRTSCG-LLVKDONJSA-N 1 2 391.269 2.098 20 0 GEADLO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Br)c(F)cc1O ZINC000450082344 650059763 /nfs/dbraw/zinc/05/97/63/650059763.db2.gz RKCMJIASOSEKQT-SNVBAGLBSA-N 1 2 377.254 2.380 20 0 GEADLO CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000450227507 650062427 /nfs/dbraw/zinc/06/24/27/650062427.db2.gz QLXUAQCIOUJESU-AWEZNQCLSA-N 1 2 380.432 2.173 20 0 GEADLO NS(=O)(=O)C1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450309144 650063796 /nfs/dbraw/zinc/06/37/96/650063796.db2.gz QZHIZBKOHLQKRW-UHFFFAOYSA-N 1 2 388.262 2.394 20 0 GEADLO Cc1nn(C)cc1CC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000450595236 650067755 /nfs/dbraw/zinc/06/77/55/650067755.db2.gz KCBPGEDZTBQMMG-UHFFFAOYSA-N 1 2 390.285 2.349 20 0 GEADLO O=C1N=NC([C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)O1 ZINC000450899822 650074865 /nfs/dbraw/zinc/07/48/65/650074865.db2.gz DVDONOQZDSOVCU-AAEUAGOBSA-N 1 2 398.257 2.157 20 0 GEADLO O=C1N=NC([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)O1 ZINC000450899822 650074866 /nfs/dbraw/zinc/07/48/66/650074866.db2.gz DVDONOQZDSOVCU-AAEUAGOBSA-N 1 2 398.257 2.157 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)o1 ZINC000450899822 650074868 /nfs/dbraw/zinc/07/48/68/650074868.db2.gz DVDONOQZDSOVCU-AAEUAGOBSA-N 1 2 398.257 2.157 20 0 GEADLO O=C1N=NC([C@@H]2CCC[N@@H+](C[C@@H](O)COc3cccc(Br)c3)C2)O1 ZINC000450898208 650074890 /nfs/dbraw/zinc/07/48/90/650074890.db2.gz BDHRTEZSUDKHIT-DGCLKSJQSA-N 1 2 398.257 2.157 20 0 GEADLO O=C1N=NC([C@@H]2CCC[N@H+](C[C@@H](O)COc3cccc(Br)c3)C2)O1 ZINC000450898208 650074892 /nfs/dbraw/zinc/07/48/92/650074892.db2.gz BDHRTEZSUDKHIT-DGCLKSJQSA-N 1 2 398.257 2.157 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3cccc(Br)c3)C2)o1 ZINC000450898208 650074893 /nfs/dbraw/zinc/07/48/93/650074893.db2.gz BDHRTEZSUDKHIT-DGCLKSJQSA-N 1 2 398.257 2.157 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@@H](O)COc3cccc(Br)c3)C2)o1 ZINC000450898208 650074895 /nfs/dbraw/zinc/07/48/95/650074895.db2.gz BDHRTEZSUDKHIT-DGCLKSJQSA-N 1 2 398.257 2.157 20 0 GEADLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000451049358 650081942 /nfs/dbraw/zinc/08/19/42/650081942.db2.gz ZLTORRGRGMWOGE-UHFFFAOYSA-N 1 2 376.404 2.350 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)C[C@H]2CCCCC2(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000451332702 650104596 /nfs/dbraw/zinc/10/45/96/650104596.db2.gz WODOWFVGXWMTGN-OAGGEKHMSA-N 1 2 380.501 2.184 20 0 GEADLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C[C@H]1O ZINC000451750493 650138993 /nfs/dbraw/zinc/13/89/93/650138993.db2.gz RDEHPLFELKVWSO-VXGBXAGGSA-N 1 2 397.191 2.098 20 0 GEADLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C[C@H]1O ZINC000451750493 650138997 /nfs/dbraw/zinc/13/89/97/650138997.db2.gz RDEHPLFELKVWSO-VXGBXAGGSA-N 1 2 397.191 2.098 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)cc1 ZINC000452095819 650173024 /nfs/dbraw/zinc/17/30/24/650173024.db2.gz ZMISUMUNMVSMSK-UHFFFAOYSA-N 1 2 388.555 2.023 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+]2CCCC2(C)C)cc1 ZINC000452095819 650173026 /nfs/dbraw/zinc/17/30/26/650173026.db2.gz ZMISUMUNMVSMSK-UHFFFAOYSA-N 1 2 388.555 2.023 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(I)cn2)C1 ZINC000456017933 650327615 /nfs/dbraw/zinc/32/76/15/650327615.db2.gz DVQZSEWMZBQOFS-LLVKDONJSA-N 1 2 396.232 2.440 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458104217 650395389 /nfs/dbraw/zinc/39/53/89/650395389.db2.gz JQGPIRYAWJFAQW-CYBMUJFWSA-N 1 2 398.276 2.222 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000458301042 650399720 /nfs/dbraw/zinc/39/97/20/650399720.db2.gz JCPBQAVQFCRTOG-CZUORRHYSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000458301042 650399723 /nfs/dbraw/zinc/39/97/23/650399723.db2.gz JCPBQAVQFCRTOG-CZUORRHYSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@@H](CNC(=O)NCCc1cn(C)c[nH+]1)Oc1cccc(Br)c1 ZINC000458494978 650404449 /nfs/dbraw/zinc/40/44/49/650404449.db2.gz XHTPNHIKHNRXTM-LBPRGKRZSA-N 1 2 381.274 2.492 20 0 GEADLO C[C@@H](c1ccccc1Br)[N@H+](C)CC1(O)CCS(=O)(=O)CC1 ZINC000502694060 650410063 /nfs/dbraw/zinc/41/00/63/650410063.db2.gz YMZFOSVHARQSOI-LBPRGKRZSA-N 1 2 376.316 2.382 20 0 GEADLO C[C@@H](c1ccccc1Br)[N@@H+](C)CC1(O)CCS(=O)(=O)CC1 ZINC000502694060 650410068 /nfs/dbraw/zinc/41/00/68/650410068.db2.gz YMZFOSVHARQSOI-LBPRGKRZSA-N 1 2 376.316 2.382 20 0 GEADLO CSc1ccc([C@H](CNC(=O)N[C@H](C)CCS(C)(=O)=O)[NH+](C)C)cc1 ZINC000458884003 650413300 /nfs/dbraw/zinc/41/33/00/650413300.db2.gz FWPGCRGHBHMLDW-CJNGLKHVSA-N 1 2 387.571 2.134 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000503703216 650421770 /nfs/dbraw/zinc/42/17/70/650421770.db2.gz KGFLDLYVTQSCPU-ZJUUUORDSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000503703216 650421773 /nfs/dbraw/zinc/42/17/73/650421773.db2.gz KGFLDLYVTQSCPU-ZJUUUORDSA-N 1 2 395.294 2.310 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cccc(O)c1Br ZINC000459301788 650422013 /nfs/dbraw/zinc/42/20/13/650422013.db2.gz LILVLKYTSLUQMN-CYBMUJFWSA-N 1 2 391.331 2.449 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cccc(O)c1Br ZINC000459301788 650422014 /nfs/dbraw/zinc/42/20/14/650422014.db2.gz LILVLKYTSLUQMN-CYBMUJFWSA-N 1 2 391.331 2.449 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000503988361 650425172 /nfs/dbraw/zinc/42/51/72/650425172.db2.gz CTJHJMNXEOKZOM-JTQLQIEISA-N 1 2 377.229 2.107 20 0 GEADLO C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1ccn(C)n1 ZINC000459793914 650432596 /nfs/dbraw/zinc/43/25/96/650432596.db2.gz PLNKKKBKJBCKEE-JTQLQIEISA-N 1 2 384.221 2.314 20 0 GEADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCc2n[nH]nc2C1 ZINC000505304880 650436356 /nfs/dbraw/zinc/43/63/56/650436356.db2.gz PWVDUZITXBEXQV-INIZCTEOSA-N 1 2 390.285 2.289 20 0 GEADLO CC(C)[NH+]1CCN(S(=O)(=O)CCc2ccccc2Br)CC1 ZINC000462090875 650467254 /nfs/dbraw/zinc/46/72/54/650467254.db2.gz RGJICMCTSHYWRL-UHFFFAOYSA-N 1 2 375.332 2.347 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000507892703 650469299 /nfs/dbraw/zinc/46/92/99/650469299.db2.gz WOZZMBNGVMPCDI-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000507892703 650469300 /nfs/dbraw/zinc/46/93/00/650469300.db2.gz WOZZMBNGVMPCDI-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1Br ZINC000507950772 650470317 /nfs/dbraw/zinc/47/03/17/650470317.db2.gz QZWQWSFXBLPJAB-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1Br ZINC000507950772 650470319 /nfs/dbraw/zinc/47/03/19/650470319.db2.gz QZWQWSFXBLPJAB-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2F)[C@@H](C)C[N@@H+]1C ZINC000507967971 650471015 /nfs/dbraw/zinc/47/10/15/650471015.db2.gz ISFBZKBXYQTRRY-BDAKNGLRSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2F)[C@@H](C)C[N@H+]1C ZINC000507967971 650471017 /nfs/dbraw/zinc/47/10/17/650471017.db2.gz ISFBZKBXYQTRRY-BDAKNGLRSA-N 1 2 383.258 2.440 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000510035642 650505485 /nfs/dbraw/zinc/50/54/85/650505485.db2.gz ODMJCVZPMCKVRT-UWVGGRQHSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000510035642 650505488 /nfs/dbraw/zinc/50/54/88/650505488.db2.gz ODMJCVZPMCKVRT-UWVGGRQHSA-N 1 2 395.308 2.493 20 0 GEADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccccc1SCC(N)=O ZINC000470949165 650517409 /nfs/dbraw/zinc/51/74/09/650517409.db2.gz VUSVJCYGKNXVPZ-GHMZBOCLSA-N 1 2 375.416 2.475 20 0 GEADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccccc1SCC(N)=O ZINC000470949165 650517411 /nfs/dbraw/zinc/51/74/11/650517411.db2.gz VUSVJCYGKNXVPZ-GHMZBOCLSA-N 1 2 375.416 2.475 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCOc2ccccc2Br)C1 ZINC000511067685 650525084 /nfs/dbraw/zinc/52/50/84/650525084.db2.gz WMTKVLKBDYKUJU-ZDUSSCGKSA-N 1 2 391.331 2.184 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCOc2ccccc2Br)C1 ZINC000511067685 650525090 /nfs/dbraw/zinc/52/50/90/650525090.db2.gz WMTKVLKBDYKUJU-ZDUSSCGKSA-N 1 2 391.331 2.184 20 0 GEADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511058092 650524494 /nfs/dbraw/zinc/52/44/94/650524494.db2.gz DKYYZXHHJCQUSQ-QWHCGFSZSA-N 1 2 384.527 2.463 20 0 GEADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511058092 650524498 /nfs/dbraw/zinc/52/44/98/650524498.db2.gz DKYYZXHHJCQUSQ-QWHCGFSZSA-N 1 2 384.527 2.463 20 0 GEADLO O=C(Cc1c(Cl)cccc1Cl)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000473987847 650526270 /nfs/dbraw/zinc/52/62/70/650526270.db2.gz FIMUWLWXBRSNKL-CQSZACIVSA-N 1 2 387.307 2.486 20 0 GEADLO CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cs1 ZINC000511127406 650527453 /nfs/dbraw/zinc/52/74/53/650527453.db2.gz VLCUSEBIPULITR-NSHDSACASA-N 1 2 378.420 2.382 20 0 GEADLO CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cs1 ZINC000511127406 650527457 /nfs/dbraw/zinc/52/74/57/650527457.db2.gz VLCUSEBIPULITR-NSHDSACASA-N 1 2 378.420 2.382 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511134831 650527593 /nfs/dbraw/zinc/52/75/93/650527593.db2.gz CIWCQSLYLIZDTL-CYBMUJFWSA-N 1 2 388.917 2.230 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511134831 650527596 /nfs/dbraw/zinc/52/75/96/650527596.db2.gz CIWCQSLYLIZDTL-CYBMUJFWSA-N 1 2 388.917 2.230 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2OC)[C@@H](C)C1 ZINC000511297960 650532310 /nfs/dbraw/zinc/53/23/10/650532310.db2.gz ZSDHMBBVBBZIQJ-JTQLQIEISA-N 1 2 395.294 2.312 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2OC)[C@@H](C)C1 ZINC000511297960 650532313 /nfs/dbraw/zinc/53/23/13/650532313.db2.gz ZSDHMBBVBBZIQJ-JTQLQIEISA-N 1 2 395.294 2.312 20 0 GEADLO C[C@]1(C(N)=O)CC[N@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000475671595 650536012 /nfs/dbraw/zinc/53/60/12/650536012.db2.gz QLCYPQWDFVBGBR-ZDUSSCGKSA-N 1 2 380.176 2.267 20 0 GEADLO C[C@]1(C(N)=O)CC[N@@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000475671595 650536016 /nfs/dbraw/zinc/53/60/16/650536016.db2.gz QLCYPQWDFVBGBR-ZDUSSCGKSA-N 1 2 380.176 2.267 20 0 GEADLO O=S(=O)(NCC[NH2+]Cc1c(F)ccc(O)c1F)c1ccc(Cl)s1 ZINC000511699250 650541215 /nfs/dbraw/zinc/54/12/15/650541215.db2.gz FXOXZETYUAXLNP-UHFFFAOYSA-N 1 2 382.841 2.453 20 0 GEADLO COC(=O)c1cc(I)cc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000476541076 650553183 /nfs/dbraw/zinc/55/31/83/650553183.db2.gz GLIPENBBOFUJAG-UHFFFAOYSA-N 1 2 399.188 2.372 20 0 GEADLO COC(=O)c1cc(I)cc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000476541076 650553184 /nfs/dbraw/zinc/55/31/84/650553184.db2.gz GLIPENBBOFUJAG-UHFFFAOYSA-N 1 2 399.188 2.372 20 0 GEADLO O=C(Cc1ccc(Br)cc1O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000512735152 650553297 /nfs/dbraw/zinc/55/32/97/650553297.db2.gz NAFTXICVEDARLH-HNNXBMFYSA-N 1 2 376.254 2.265 20 0 GEADLO CSC[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000514953763 650584487 /nfs/dbraw/zinc/58/44/87/650584487.db2.gz USSXWVZWJMWKGG-BBRMVZONSA-N 1 2 383.945 2.413 20 0 GEADLO Cc1cccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1Br ZINC000478994958 650593332 /nfs/dbraw/zinc/59/33/32/650593332.db2.gz WTFSSVMBILUFTK-HNNXBMFYSA-N 1 2 397.313 2.321 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000516211490 650595648 /nfs/dbraw/zinc/59/56/48/650595648.db2.gz YNBVTAKBYUJWQF-KPWVOAKYSA-N 1 2 399.365 2.102 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000516211490 650595652 /nfs/dbraw/zinc/59/56/52/650595652.db2.gz YNBVTAKBYUJWQF-KPWVOAKYSA-N 1 2 399.365 2.102 20 0 GEADLO COC[C@@](C)(NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C(F)(F)F ZINC000479129480 650596886 /nfs/dbraw/zinc/59/68/86/650596886.db2.gz LUGPMKABGWBFSE-CQSZACIVSA-N 1 2 377.388 2.177 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000479146125 650597381 /nfs/dbraw/zinc/59/73/81/650597381.db2.gz UNASSMAKLIZKEJ-LBPRGKRZSA-N 1 2 386.279 2.240 20 0 GEADLO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CCc2c[nH+]cn2C1 ZINC000520588733 650615361 /nfs/dbraw/zinc/61/53/61/650615361.db2.gz XPNMFXZJVIMKLK-LBPRGKRZSA-N 1 2 392.253 2.296 20 0 GEADLO CC(=O)N[C@@H](CC(=O)N1CC(n2cc[nH+]c2)C1)c1ccc(Br)cc1 ZINC000522258830 650624297 /nfs/dbraw/zinc/62/42/97/650624297.db2.gz FYPSOPHKRAXAFM-INIZCTEOSA-N 1 2 391.269 2.296 20 0 GEADLO O=S(=O)(NCC[N@H+]1CC=CCC1)c1cc(Br)c(F)cc1F ZINC000480789644 650632389 /nfs/dbraw/zinc/63/23/89/650632389.db2.gz TULBHOSQZWLTST-UHFFFAOYSA-N 1 2 381.242 2.268 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CC=CCC1)c1cc(Br)c(F)cc1F ZINC000480789644 650632392 /nfs/dbraw/zinc/63/23/92/650632392.db2.gz TULBHOSQZWLTST-UHFFFAOYSA-N 1 2 381.242 2.268 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000481011542 650639983 /nfs/dbraw/zinc/63/99/83/650639983.db2.gz IYOVCXBDZCVTER-UHFFFAOYSA-N 1 2 397.335 2.224 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000481433144 650646525 /nfs/dbraw/zinc/64/65/25/650646525.db2.gz IBWBXPACXRCSRW-LBPRGKRZSA-N 1 2 380.286 2.310 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000481433144 650646527 /nfs/dbraw/zinc/64/65/27/650646527.db2.gz IBWBXPACXRCSRW-LBPRGKRZSA-N 1 2 380.286 2.310 20 0 GEADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1nc(-c2cccc(Br)c2)no1 ZINC000483295516 650676478 /nfs/dbraw/zinc/67/64/78/650676478.db2.gz YUOZHRGHKXAIGG-SMDDNHRTSA-N 1 2 382.258 2.471 20 0 GEADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1nc(-c2cccc(Br)c2)no1 ZINC000483295516 650676480 /nfs/dbraw/zinc/67/64/80/650676480.db2.gz YUOZHRGHKXAIGG-SMDDNHRTSA-N 1 2 382.258 2.471 20 0 GEADLO Cn1c(=O)cc(C[N@H+](C)Cc2ccc(Br)cc2Cl)n(C)c1=O ZINC000484580463 650687670 /nfs/dbraw/zinc/68/76/70/650687670.db2.gz CGTQYQCAVRGLPL-UHFFFAOYSA-N 1 2 386.677 2.132 20 0 GEADLO Cn1c(=O)cc(C[N@@H+](C)Cc2ccc(Br)cc2Cl)n(C)c1=O ZINC000484580463 650687673 /nfs/dbraw/zinc/68/76/73/650687673.db2.gz CGTQYQCAVRGLPL-UHFFFAOYSA-N 1 2 386.677 2.132 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)NC1(C(F)F)CCCCC1 ZINC000484694775 650688907 /nfs/dbraw/zinc/68/89/07/650688907.db2.gz PGZJPFMCRXPZBU-INIZCTEOSA-N 1 2 377.501 2.462 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000528356011 650690300 /nfs/dbraw/zinc/69/03/00/650690300.db2.gz ACVZCHVXEFGPBI-WDEREUQCSA-N 1 2 382.404 2.307 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000528356011 650690301 /nfs/dbraw/zinc/69/03/01/650690301.db2.gz ACVZCHVXEFGPBI-WDEREUQCSA-N 1 2 382.404 2.307 20 0 GEADLO Cc1cc(CC(C)(C)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)ccc1Br ZINC000485282919 650694990 /nfs/dbraw/zinc/69/49/90/650694990.db2.gz HDXOMIOOAMNTQR-MRXNPFEDSA-N 1 2 394.357 2.442 20 0 GEADLO Cc1ccc(Br)c(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC000529753053 650706325 /nfs/dbraw/zinc/70/63/25/650706325.db2.gz QWJVSZWMDYUYNC-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1ccc(Br)c(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC000529753053 650706329 /nfs/dbraw/zinc/70/63/29/650706329.db2.gz QWJVSZWMDYUYNC-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000486292755 650710946 /nfs/dbraw/zinc/71/09/46/650710946.db2.gz KMGNUDBCFXXXJL-ZDUSSCGKSA-N 1 2 378.226 2.167 20 0 GEADLO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000486584471 650716393 /nfs/dbraw/zinc/71/63/93/650716393.db2.gz VLABUBQLNIZYRG-BXUZGUMPSA-N 1 2 380.495 2.080 20 0 GEADLO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000486584471 650716394 /nfs/dbraw/zinc/71/63/94/650716394.db2.gz VLABUBQLNIZYRG-BXUZGUMPSA-N 1 2 380.495 2.080 20 0 GEADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cncc(Br)c1 ZINC000486805235 650722393 /nfs/dbraw/zinc/72/23/93/650722393.db2.gz WKBMVQBLLMQUGS-AWEZNQCLSA-N 1 2 394.273 2.279 20 0 GEADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cncc(Br)c1 ZINC000486805235 650722395 /nfs/dbraw/zinc/72/23/95/650722395.db2.gz WKBMVQBLLMQUGS-AWEZNQCLSA-N 1 2 394.273 2.279 20 0 GEADLO COCCSCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000486807915 650722751 /nfs/dbraw/zinc/72/27/51/650722751.db2.gz AZPIBKZWEXVHJK-UHFFFAOYSA-N 1 2 394.509 2.041 20 0 GEADLO Cn1ncc(Br)c1C[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000487194454 650730343 /nfs/dbraw/zinc/73/03/43/650730343.db2.gz IEUZNQVJZVTWNK-CQSZACIVSA-N 1 2 381.249 2.212 20 0 GEADLO C[N@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1nnc2n1CCC2 ZINC000531016524 650733246 /nfs/dbraw/zinc/73/32/46/650733246.db2.gz QSBDNSKHXAMEEY-UHFFFAOYSA-N 1 2 378.274 2.447 20 0 GEADLO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1nnc2n1CCC2 ZINC000531016524 650733248 /nfs/dbraw/zinc/73/32/48/650733248.db2.gz QSBDNSKHXAMEEY-UHFFFAOYSA-N 1 2 378.274 2.447 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000533036564 650755755 /nfs/dbraw/zinc/75/57/55/650755755.db2.gz HNMNWTFUHWCMHM-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000533036564 650755758 /nfs/dbraw/zinc/75/57/58/650755758.db2.gz HNMNWTFUHWCMHM-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO CO[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C[C@H]1OC ZINC000489201996 650755769 /nfs/dbraw/zinc/75/57/69/650755769.db2.gz MXTSSALAGKRWQC-ZACQAIPSSA-N 1 2 397.313 2.458 20 0 GEADLO OC[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc(Br)cc1 ZINC000489003297 650753680 /nfs/dbraw/zinc/75/36/80/650753680.db2.gz ADPGYBQBOKLLSC-CQSZACIVSA-N 1 2 379.258 2.221 20 0 GEADLO OC[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc(Br)cc1 ZINC000489003297 650753686 /nfs/dbraw/zinc/75/36/86/650753686.db2.gz ADPGYBQBOKLLSC-CQSZACIVSA-N 1 2 379.258 2.221 20 0 GEADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)Cc1ccc(Br)s1 ZINC000042385664 642552280 /nfs/dbraw/zinc/55/22/80/642552280.db2.gz NNIJXXCEODEEHD-MNOVXSKESA-N 1 2 388.331 2.055 20 0 GEADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000042385664 642552284 /nfs/dbraw/zinc/55/22/84/642552284.db2.gz NNIJXXCEODEEHD-MNOVXSKESA-N 1 2 388.331 2.055 20 0 GEADLO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCn1cc[nH+]c1 ZINC000043945946 642566458 /nfs/dbraw/zinc/56/64/58/642566458.db2.gz CAHRTIOWLJWCEG-HNNXBMFYSA-N 1 2 380.901 2.204 20 0 GEADLO Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](C)[NH+]2CCSCC2)cc1 ZINC000533547806 650761943 /nfs/dbraw/zinc/76/19/43/650761943.db2.gz CWCRFCUXNDIZEP-GDBMZVCRSA-N 1 2 379.551 2.272 20 0 GEADLO O=C(NCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccs1 ZINC000046925900 642619518 /nfs/dbraw/zinc/61/95/18/642619518.db2.gz PTKBRONESMZYGP-UHFFFAOYSA-N 1 2 378.523 2.067 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2nccs2)C1)Nc1ccc(Cl)cn1 ZINC000047263425 642625443 /nfs/dbraw/zinc/62/54/43/642625443.db2.gz LGQDSKGLAUENMT-NSHDSACASA-N 1 2 379.873 2.481 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2nccs2)C1)Nc1ccc(Cl)cn1 ZINC000047263425 642625448 /nfs/dbraw/zinc/62/54/48/642625448.db2.gz LGQDSKGLAUENMT-NSHDSACASA-N 1 2 379.873 2.481 20 0 GEADLO O=S(=O)(c1ccc(C[NH2+]Cc2cc(F)ccc2F)s1)N1CCOCC1 ZINC000048711546 642660101 /nfs/dbraw/zinc/66/01/01/642660101.db2.gz HNMKTUSQBSRJHH-UHFFFAOYSA-N 1 2 388.461 2.337 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000534092183 650768947 /nfs/dbraw/zinc/76/89/47/650768947.db2.gz RFHYSLSQDARNCH-AWEZNQCLSA-N 1 2 394.269 2.350 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000534092183 650768951 /nfs/dbraw/zinc/76/89/51/650768951.db2.gz RFHYSLSQDARNCH-AWEZNQCLSA-N 1 2 394.269 2.350 20 0 GEADLO NC(=O)CSc1ccccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000052753602 642726699 /nfs/dbraw/zinc/72/66/99/642726699.db2.gz BFIYYQHRLIESOU-UHFFFAOYSA-N 1 2 375.519 2.284 20 0 GEADLO O=C(C[N@@H+]1CCNC(=O)CC1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000054259258 642749021 /nfs/dbraw/zinc/74/90/21/642749021.db2.gz BYFFGAWUFXPJMI-UHFFFAOYSA-N 1 2 394.191 2.228 20 0 GEADLO O=C(C[N@H+]1CCNC(=O)CC1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000054259258 642749024 /nfs/dbraw/zinc/74/90/24/642749024.db2.gz BYFFGAWUFXPJMI-UHFFFAOYSA-N 1 2 394.191 2.228 20 0 GEADLO S=c1sc(N2CCCC2)nn1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000057085340 642803306 /nfs/dbraw/zinc/80/33/06/642803306.db2.gz RWOBJYNBSMIOCZ-UHFFFAOYSA-N 1 2 376.555 2.445 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCc1ccc(F)c(Br)c1 ZINC000057128931 642806488 /nfs/dbraw/zinc/80/64/88/642806488.db2.gz YKMVGCPCBIVKPH-GFCCVEGCSA-N 1 2 388.281 2.151 20 0 GEADLO Cc1cc(NC(=O)c2cc(Cn3cc(Br)cn3)on2)c(C)c[nH+]1 ZINC000535749075 650790252 /nfs/dbraw/zinc/79/02/52/650790252.db2.gz DSJFJXIMDSZXGR-UHFFFAOYSA-N 1 2 376.214 2.368 20 0 GEADLO C[C@H]1CCC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000063308767 642856558 /nfs/dbraw/zinc/85/65/58/642856558.db2.gz YEIAGVVFFIWFBO-JKSUJKDBSA-N 1 2 384.567 2.386 20 0 GEADLO C[C@H]1CCC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000063308767 642856562 /nfs/dbraw/zinc/85/65/62/642856562.db2.gz YEIAGVVFFIWFBO-JKSUJKDBSA-N 1 2 384.567 2.386 20 0 GEADLO O[C@H](CSc1n[nH]c(-c2ccccc2Br)n1)C[NH+]1CCOCC1 ZINC000066238981 642902502 /nfs/dbraw/zinc/90/25/02/642902502.db2.gz XHCOHOYTGXPFAO-NSHDSACASA-N 1 2 399.314 2.019 20 0 GEADLO O=C(CCSCc1ccccn1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000066410439 642912108 /nfs/dbraw/zinc/91/21/08/642912108.db2.gz ZXLWWGXGEWKDMY-GOSISDBHSA-N 1 2 381.567 2.029 20 0 GEADLO CCN(C1CC[NH+](CC(=O)N[C@@H](C)CCCC(C)C)CC1)S(C)(=O)=O ZINC000066883622 642945844 /nfs/dbraw/zinc/94/58/44/642945844.db2.gz MCZNHDQMKLSXHR-INIZCTEOSA-N 1 2 375.579 2.063 20 0 GEADLO C[N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccc(Br)c(F)c1 ZINC000494243123 650802762 /nfs/dbraw/zinc/80/27/62/650802762.db2.gz XVQOGPSYXPRMFC-UHFFFAOYSA-N 1 2 389.265 2.478 20 0 GEADLO C[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccc(Br)c(F)c1 ZINC000494243123 650802763 /nfs/dbraw/zinc/80/27/63/650802763.db2.gz XVQOGPSYXPRMFC-UHFFFAOYSA-N 1 2 389.265 2.478 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(SC(F)F)cc2)CC1 ZINC000068506786 643003909 /nfs/dbraw/zinc/00/39/09/643003909.db2.gz LKWJZASQNHNPQA-UHFFFAOYSA-N 1 2 392.493 2.240 20 0 GEADLO C[C@@H]1CCc2c(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)csc2C1 ZINC000068507217 643004440 /nfs/dbraw/zinc/00/44/40/643004440.db2.gz JTQHKDKDXCAEJZ-CYBMUJFWSA-N 1 2 384.567 2.112 20 0 GEADLO CC(C)Sc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000068508194 643004665 /nfs/dbraw/zinc/00/46/65/643004665.db2.gz HYNBDQJLTQNDHB-UHFFFAOYSA-N 1 2 384.567 2.426 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1 ZINC000074129654 643063462 /nfs/dbraw/zinc/06/34/62/643063462.db2.gz UKZZSYLHRQPKJV-CYBMUJFWSA-N 1 2 377.501 2.122 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1 ZINC000074129654 643063468 /nfs/dbraw/zinc/06/34/68/643063468.db2.gz UKZZSYLHRQPKJV-CYBMUJFWSA-N 1 2 377.501 2.122 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2cc(Br)cs2)CCO1 ZINC000494652053 650813747 /nfs/dbraw/zinc/81/37/47/650813747.db2.gz BXVPMQXQOKZXLW-LBPRGKRZSA-N 1 2 376.320 2.421 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2cc(Br)cs2)CCO1 ZINC000494652053 650813748 /nfs/dbraw/zinc/81/37/48/650813748.db2.gz BXVPMQXQOKZXLW-LBPRGKRZSA-N 1 2 376.320 2.421 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2csc(Br)c2)CCO1 ZINC000494690421 650814466 /nfs/dbraw/zinc/81/44/66/650814466.db2.gz KQNGBVUPMRETFM-LBPRGKRZSA-N 1 2 376.320 2.421 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2csc(Br)c2)CCO1 ZINC000494690421 650814467 /nfs/dbraw/zinc/81/44/67/650814467.db2.gz KQNGBVUPMRETFM-LBPRGKRZSA-N 1 2 376.320 2.421 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCCNc2ncc(Cl)cc2Cl)CCO1 ZINC000494718024 650815138 /nfs/dbraw/zinc/81/51/38/650815138.db2.gz MTYPSNZQXHYILF-CYBMUJFWSA-N 1 2 390.315 2.210 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCNc2ncc(Cl)cc2Cl)CCO1 ZINC000494718024 650815139 /nfs/dbraw/zinc/81/51/39/650815139.db2.gz MTYPSNZQXHYILF-CYBMUJFWSA-N 1 2 390.315 2.210 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1csc(-c2cccc(OC)c2)n1 ZINC000494716600 650815147 /nfs/dbraw/zinc/81/51/47/650815147.db2.gz DWVJNLUWVBAKKV-HNNXBMFYSA-N 1 2 381.523 2.332 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1csc(-c2cccc(OC)c2)n1 ZINC000494716600 650815148 /nfs/dbraw/zinc/81/51/48/650815148.db2.gz DWVJNLUWVBAKKV-HNNXBMFYSA-N 1 2 381.523 2.332 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC000102924962 643146123 /nfs/dbraw/zinc/14/61/23/643146123.db2.gz DCVXWPYJTAEOFF-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)Nc1cccnc1Cl ZINC000102924962 643146128 /nfs/dbraw/zinc/14/61/28/643146128.db2.gz DCVXWPYJTAEOFF-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccccc2Br)CC1 ZINC000103494066 643168465 /nfs/dbraw/zinc/16/84/65/643168465.db2.gz YNXTZPKWNXTGAL-OAHLLOKOSA-N 1 2 398.345 2.108 20 0 GEADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000104065132 643176512 /nfs/dbraw/zinc/17/65/12/643176512.db2.gz UMQMEOFWCPULNT-NSHDSACASA-N 1 2 384.889 2.452 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](O)COc1ccccc1 ZINC000104689052 643187803 /nfs/dbraw/zinc/18/78/03/643187803.db2.gz YEFWLPHSQLTLAB-AWEZNQCLSA-N 1 2 394.269 2.154 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](O)COc1ccccc1 ZINC000104689052 643187809 /nfs/dbraw/zinc/18/78/09/643187809.db2.gz YEFWLPHSQLTLAB-AWEZNQCLSA-N 1 2 394.269 2.154 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(I)cc1 ZINC000105348432 643203150 /nfs/dbraw/zinc/20/31/50/643203150.db2.gz OZTWDFPIKQYVBN-UHFFFAOYSA-N 1 2 389.237 2.087 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2sccc2Br)CCO1 ZINC000495133458 650822840 /nfs/dbraw/zinc/82/28/40/650822840.db2.gz TZSZORPSNGOOAI-NSHDSACASA-N 1 2 376.320 2.421 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2sccc2Br)CCO1 ZINC000495133458 650822841 /nfs/dbraw/zinc/82/28/41/650822841.db2.gz TZSZORPSNGOOAI-NSHDSACASA-N 1 2 376.320 2.421 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1cc(Br)cs1 ZINC000106580142 643234248 /nfs/dbraw/zinc/23/42/48/643234248.db2.gz BSKMAVICAYPBMR-LBPRGKRZSA-N 1 2 389.363 2.288 20 0 GEADLO C[C@@H](NC(=O)c1csc(I)c1)[C@H](C)[NH+]1CCOCC1 ZINC000107595655 643258636 /nfs/dbraw/zinc/25/86/36/643258636.db2.gz SEYUAEMIMAFCFS-ZJUUUORDSA-N 1 2 394.278 2.192 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000495964284 650827536 /nfs/dbraw/zinc/82/75/36/650827536.db2.gz BKCUPMKSOXAKLM-UHFFFAOYSA-N 1 2 393.285 2.243 20 0 GEADLO CCN(C1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1)S(C)(=O)=O ZINC000109010689 643286914 /nfs/dbraw/zinc/28/69/14/643286914.db2.gz AVFOTUBEXFBOLA-UHFFFAOYSA-N 1 2 388.917 2.357 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000109009399 643286983 /nfs/dbraw/zinc/28/69/83/643286983.db2.gz MDXODCATHCQZJZ-UHFFFAOYSA-N 1 2 388.917 2.357 20 0 GEADLO CN(C)S(=O)(=O)c1ccsc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000110717629 643318532 /nfs/dbraw/zinc/31/85/32/643318532.db2.gz UCVBEBWCZFMTTH-UHFFFAOYSA-N 1 2 382.511 2.016 20 0 GEADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)c1cc(Br)c[nH]1 ZINC000111124701 643326923 /nfs/dbraw/zinc/32/69/23/643326923.db2.gz ZAEFBYRTDHXEAW-MRXNPFEDSA-N 1 2 392.297 2.451 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000538184687 650832038 /nfs/dbraw/zinc/83/20/38/650832038.db2.gz OPVCSIIPZKBOAU-QMMMGPOBSA-N 1 2 387.184 2.067 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000112913543 643377506 /nfs/dbraw/zinc/37/75/06/643377506.db2.gz MSWAXDLDTHMFNO-UHFFFAOYSA-N 1 2 393.285 2.039 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cn2c1 ZINC000113458882 643398316 /nfs/dbraw/zinc/39/83/16/643398316.db2.gz XJEVGUAVAKJTBA-ZIAGYGMSSA-N 1 2 383.539 2.156 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC1 ZINC000497697826 650838905 /nfs/dbraw/zinc/83/89/05/650838905.db2.gz AUVNLJNHZMFPIM-UHFFFAOYSA-N 1 2 375.803 2.087 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cc1csc2ccc(Cl)cc12 ZINC000119742024 643569694 /nfs/dbraw/zinc/56/96/94/643569694.db2.gz SYWNEHQRPZCBDD-OAHLLOKOSA-N 1 2 382.913 2.249 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1cccnc1Br ZINC000119982303 643583555 /nfs/dbraw/zinc/58/35/55/643583555.db2.gz XSGBAVQZCIRICS-UHFFFAOYSA-N 1 2 395.261 2.017 20 0 GEADLO CCN(CC)c1ncc(C[N@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000120114626 643592808 /nfs/dbraw/zinc/59/28/08/643592808.db2.gz OBRUBLMDIYQGPJ-CQSZACIVSA-N 1 2 375.560 2.015 20 0 GEADLO CCN(CC)c1ncc(C[N@@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000120114626 643592814 /nfs/dbraw/zinc/59/28/14/643592814.db2.gz OBRUBLMDIYQGPJ-CQSZACIVSA-N 1 2 375.560 2.015 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000123436793 643670358 /nfs/dbraw/zinc/67/03/58/643670358.db2.gz RGBXTMPHUMDUIT-LLVKDONJSA-N 1 2 376.931 2.340 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000123436793 643670360 /nfs/dbraw/zinc/67/03/60/643670360.db2.gz RGBXTMPHUMDUIT-LLVKDONJSA-N 1 2 376.931 2.340 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000127152417 643759829 /nfs/dbraw/zinc/75/98/29/643759829.db2.gz FUGIPNLHTNUWLG-JSGCOSHPSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127152417 643759836 /nfs/dbraw/zinc/75/98/36/643759836.db2.gz FUGIPNLHTNUWLG-JSGCOSHPSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NC[C@H](O)c1c(Cl)cccc1Cl)[NH+]1CCOCC1 ZINC000127262542 643766983 /nfs/dbraw/zinc/76/69/83/643766983.db2.gz VPUZFHQFPDFUFV-ZOWXZIJZSA-N 1 2 390.311 2.435 20 0 GEADLO C[C@H](NC(=O)NC[C@H](O)c1c(Cl)cccc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000127263007 643767127 /nfs/dbraw/zinc/76/71/27/643767127.db2.gz VPUZFHQFPDFUFV-HUBLWGQQSA-N 1 2 390.311 2.435 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCS2)[C@@H]1c1ccc(Cl)cc1 ZINC000498825619 650866706 /nfs/dbraw/zinc/86/67/06/650866706.db2.gz ABQITZAHXIMVDL-PMPSAXMXSA-N 1 2 381.929 2.213 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCS2)[C@@H]1c1ccc(Cl)cc1 ZINC000498825619 650866708 /nfs/dbraw/zinc/86/67/08/650866708.db2.gz ABQITZAHXIMVDL-PMPSAXMXSA-N 1 2 381.929 2.213 20 0 GEADLO C[C@H]([C@H](C)NC(=O)[C@@H]1COc2ccc(Br)cc21)[NH+]1CCOCC1 ZINC000130442077 643839323 /nfs/dbraw/zinc/83/93/23/643839323.db2.gz HAILZZLAZYCMLQ-YWPYICTPSA-N 1 2 383.286 2.151 20 0 GEADLO C[C@H](CNC(=O)Cc1c[nH]c2cc(Br)ccc12)[NH+]1CCN(C)CC1 ZINC000131284537 643870229 /nfs/dbraw/zinc/87/02/29/643870229.db2.gz JMVZRCPBMZHSFB-CYBMUJFWSA-N 1 2 393.329 2.225 20 0 GEADLO O=c1n(C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)nc2cnccn21 ZINC000131426715 643873228 /nfs/dbraw/zinc/87/32/28/643873228.db2.gz PVSZLTCHQONFOW-OAHLLOKOSA-N 1 2 388.269 2.318 20 0 GEADLO O=c1n(C[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)nc2cnccn21 ZINC000131426715 643873231 /nfs/dbraw/zinc/87/32/31/643873231.db2.gz PVSZLTCHQONFOW-OAHLLOKOSA-N 1 2 388.269 2.318 20 0 GEADLO O=C(Nc1ccc(Br)cc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151396778 643942708 /nfs/dbraw/zinc/94/27/08/643942708.db2.gz YCUBSWPPGPZEIH-OAHLLOKOSA-N 1 2 390.237 2.463 20 0 GEADLO O=C1C(=O)N(CN2CCC(n3cc[nH+]c3)CC2)c2ccc(Br)cc21 ZINC000152084008 643963747 /nfs/dbraw/zinc/96/37/47/643963747.db2.gz SGLHOIMAQQZTJA-UHFFFAOYSA-N 1 2 389.253 2.470 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000153227405 643981732 /nfs/dbraw/zinc/98/17/32/643981732.db2.gz VHPQPLVNXBHJJO-QGZVFWFLSA-N 1 2 389.297 2.188 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(F)cc1Br ZINC000499669477 650889904 /nfs/dbraw/zinc/88/99/04/650889904.db2.gz NYVLUIZHADIZBU-JTQLQIEISA-N 1 2 395.232 2.163 20 0 GEADLO Cc1ccc(S(=O)(=O)NCCC(=O)NNc2cc[nH+]cc2Cl)cc1C ZINC000154673673 644059274 /nfs/dbraw/zinc/05/92/74/644059274.db2.gz WCYSYIZUOZGVJR-UHFFFAOYSA-N 1 2 382.873 2.164 20 0 GEADLO Cn1c(C(=O)N2CC[NH+](CCO)CC2)ccc1-c1ccccc1Br ZINC000154866070 644060323 /nfs/dbraw/zinc/06/03/23/644060323.db2.gz KAISWQKEYZYZDW-UHFFFAOYSA-N 1 2 392.297 2.205 20 0 GEADLO O=C(Nc1nnc(C(F)(F)F)s1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000156431020 644096405 /nfs/dbraw/zinc/09/64/05/644096405.db2.gz BZOLRIPCEXHXER-JTQLQIEISA-N 1 2 379.408 2.276 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000156734496 644114538 /nfs/dbraw/zinc/11/45/38/644114538.db2.gz HTEVLOVJCRVIJR-UHFFFAOYSA-N 1 2 377.447 2.199 20 0 GEADLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc(F)ccc1Br ZINC000156900108 644122963 /nfs/dbraw/zinc/12/29/63/644122963.db2.gz JIVWXCTVFUFBFF-UHFFFAOYSA-N 1 2 376.251 2.496 20 0 GEADLO [NH3+][C@@H]1CCCN(C(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)C1 ZINC000158572546 644149999 /nfs/dbraw/zinc/14/99/99/644149999.db2.gz HVKMTIYZJXLRNB-CYBMUJFWSA-N 1 2 390.285 2.471 20 0 GEADLO O=S(=O)(c1cc(Br)ccc1F)N1CC[NH+](C2CCC2)CC1 ZINC000500131728 650897779 /nfs/dbraw/zinc/89/77/79/650897779.db2.gz NDTJEDRDKFXIJB-UHFFFAOYSA-N 1 2 377.279 2.447 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2ccc(Br)cc2)CC1 ZINC000161780047 644219277 /nfs/dbraw/zinc/21/92/77/644219277.db2.gz VXLZJFYIYVZKDK-CQSZACIVSA-N 1 2 396.329 2.223 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2ccc(Br)cc2)CC1 ZINC000161780047 644219279 /nfs/dbraw/zinc/21/92/79/644219279.db2.gz VXLZJFYIYVZKDK-CQSZACIVSA-N 1 2 396.329 2.223 20 0 GEADLO CN(Cc1ccccc1)C(=O)C[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000161964862 644227246 /nfs/dbraw/zinc/22/72/46/644227246.db2.gz AUDYEVBZIAKOQN-KRWDZBQOSA-N 1 2 390.281 2.224 20 0 GEADLO CN(CC(C)(C)S(C)(=O)=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000162496580 644237451 /nfs/dbraw/zinc/23/74/51/644237451.db2.gz RSXALKXCQZJJPG-AWEZNQCLSA-N 1 2 387.571 2.350 20 0 GEADLO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@H]1n1cc[nH+]c1 ZINC000164613664 644266382 /nfs/dbraw/zinc/26/63/82/644266382.db2.gz MPEKRBQIOHTHBA-WCQYABFASA-N 1 2 392.257 2.089 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000170865661 644293964 /nfs/dbraw/zinc/29/39/64/644293964.db2.gz DRMFSQWTZPLYMD-UHFFFAOYSA-N 1 2 377.432 2.420 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000170865661 644293974 /nfs/dbraw/zinc/29/39/74/644293974.db2.gz DRMFSQWTZPLYMD-UHFFFAOYSA-N 1 2 377.432 2.420 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCCc1ccc(Br)s1)[NH+]1CCOCC1 ZINC000171603454 644329840 /nfs/dbraw/zinc/32/98/40/644329840.db2.gz TXZBBWHKUYIVKF-NWDGAFQWSA-N 1 2 390.347 2.462 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1c(F)cc(Br)cc1F ZINC000174079263 644368396 /nfs/dbraw/zinc/36/83/96/644368396.db2.gz BHMRDVAYRFPPCO-JTQLQIEISA-N 1 2 391.260 2.485 20 0 GEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(I)cc1 ZINC000543674005 650918540 /nfs/dbraw/zinc/91/85/40/650918540.db2.gz GBWGYOKHHJRAIS-QWRGUYRKSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(I)cc1 ZINC000543674005 650918544 /nfs/dbraw/zinc/91/85/44/650918544.db2.gz GBWGYOKHHJRAIS-QWRGUYRKSA-N 1 2 394.278 2.004 20 0 GEADLO CC1(C)C(=O)N(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)C1(C)C ZINC000177680180 644424490 /nfs/dbraw/zinc/42/44/90/644424490.db2.gz HLFFNYBWZAUZHB-UHFFFAOYSA-N 1 2 385.555 2.095 20 0 GEADLO C/C(=C\c1ccc(Cl)cc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000179372786 644458097 /nfs/dbraw/zinc/45/80/97/644458097.db2.gz BTSYBOUYVDVYPK-BUHFOSPRSA-N 1 2 384.929 2.369 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000543907126 650927558 /nfs/dbraw/zinc/92/75/58/650927558.db2.gz OAVTZVGURDDCLD-UHFFFAOYSA-N 1 2 377.447 2.130 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000543932766 650928401 /nfs/dbraw/zinc/92/84/01/650928401.db2.gz PFCZHYWEQOFSEC-CYBMUJFWSA-N 1 2 385.302 2.227 20 0 GEADLO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CCCCS1(=O)=O ZINC000544253273 650938444 /nfs/dbraw/zinc/93/84/44/650938444.db2.gz HBYSLYVUGJDFFA-LSDHHAIUSA-N 1 2 385.555 2.152 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000544653774 650948137 /nfs/dbraw/zinc/94/81/37/650948137.db2.gz VOJUMBJHWOFSHN-QWRGUYRKSA-N 1 2 389.315 2.097 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000544653774 650948140 /nfs/dbraw/zinc/94/81/40/650948140.db2.gz VOJUMBJHWOFSHN-QWRGUYRKSA-N 1 2 389.315 2.097 20 0 GEADLO Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCN(C3=NC[C@@H](C)S3)CC2)c1 ZINC000182536931 644965305 /nfs/dbraw/zinc/96/53/05/644965305.db2.gz VWTHNBPXXUYNCA-CABCVRRESA-N 1 2 383.945 2.497 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000183472149 644994467 /nfs/dbraw/zinc/99/44/67/644994467.db2.gz DEYDIXMLHSGUFZ-UHFFFAOYSA-N 1 2 395.294 2.312 20 0 GEADLO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000184445548 645018743 /nfs/dbraw/zinc/01/87/43/645018743.db2.gz QCTBQNWDZSMRNH-RWMBFGLXSA-N 1 2 387.571 2.125 20 0 GEADLO CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000184994975 645030984 /nfs/dbraw/zinc/03/09/84/645030984.db2.gz HGNQTEWDEOJNCY-JTQLQIEISA-N 1 2 388.281 2.155 20 0 GEADLO NC(=O)NC(=O)OCCC[NH+]1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000186031882 645057939 /nfs/dbraw/zinc/05/79/39/645057939.db2.gz CZYWJEUOOWTWIT-UHFFFAOYSA-N 1 2 375.256 2.310 20 0 GEADLO CO[C@H]1CC(=O)N(CN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000189185418 645134389 /nfs/dbraw/zinc/13/43/89/645134389.db2.gz NHAKQQJIABGBJU-HNNXBMFYSA-N 1 2 386.323 2.358 20 0 GEADLO CCNc1ccc(Cl)cc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000192316848 645200156 /nfs/dbraw/zinc/20/01/56/645200156.db2.gz DBRISDPOPCIBIY-UHFFFAOYSA-N 1 2 387.933 2.011 20 0 GEADLO CC(C)OC[C@H]1C[N@H+](C[C@@H](O)COc2ccc(Br)cc2)CCO1 ZINC000546030985 650988432 /nfs/dbraw/zinc/98/84/32/650988432.db2.gz JHZWPRACSYKTBP-NVXWUHKLSA-N 1 2 388.302 2.315 20 0 GEADLO CC(C)OC[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)CCO1 ZINC000546030985 650988435 /nfs/dbraw/zinc/98/84/35/650988435.db2.gz JHZWPRACSYKTBP-NVXWUHKLSA-N 1 2 388.302 2.315 20 0 GEADLO COc1ccc(NC(=O)NCCn2cc[nH+]c2)c(I)c1 ZINC000192432657 645205947 /nfs/dbraw/zinc/20/59/47/645205947.db2.gz QXVPVFBYLUSIIQ-UHFFFAOYSA-N 1 2 386.193 2.318 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cncc(Br)c1 ZINC000193507557 645279513 /nfs/dbraw/zinc/27/95/13/645279513.db2.gz AGMZKVGDCGCIAG-AWEZNQCLSA-N 1 2 376.320 2.138 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cncc(Br)c1 ZINC000193507557 645279517 /nfs/dbraw/zinc/27/95/17/645279517.db2.gz AGMZKVGDCGCIAG-AWEZNQCLSA-N 1 2 376.320 2.138 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194373781 645324865 /nfs/dbraw/zinc/32/48/65/645324865.db2.gz TUNJXVBGFZCVKZ-KRWDZBQOSA-N 1 2 397.313 2.322 20 0 GEADLO Cc1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)c(Br)c1 ZINC000226236064 645389721 /nfs/dbraw/zinc/38/97/21/645389721.db2.gz YEXNFJJXKGSPMW-UHFFFAOYSA-N 1 2 379.345 2.085 20 0 GEADLO Oc1c(Br)cc(C[NH2+]C[C@]2(O)CCOC2)cc1Br ZINC000227120704 645392559 /nfs/dbraw/zinc/39/25/59/645392559.db2.gz CIWKPKCZZUHPNP-GFCCVEGCSA-N 1 2 381.064 2.158 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)C[C@H](C)O)[nH+]c12 ZINC000546861215 651011623 /nfs/dbraw/zinc/01/16/23/651011623.db2.gz DYZSGOKRHCWMTF-RYUDHWBXSA-N 1 2 383.290 2.406 20 0 GEADLO O=C(CN1CC[NH2+]CC1=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000237859255 645446364 /nfs/dbraw/zinc/44/63/64/645446364.db2.gz UHNXMAQQIJEALA-UHFFFAOYSA-N 1 2 399.303 2.411 20 0 GEADLO O=C(CC1CC[NH2+]CC1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000238152379 645450113 /nfs/dbraw/zinc/45/01/13/645450113.db2.gz LNQSQNPHXWYCBL-UHFFFAOYSA-N 1 2 380.495 2.272 20 0 GEADLO CC[C@H](CCO)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546861846 651012223 /nfs/dbraw/zinc/01/22/23/651012223.db2.gz QZFPDTFDHBPQBW-CYBMUJFWSA-N 1 2 383.290 2.408 20 0 GEADLO C[N@@H+](Cc1nnnn1-c1ccccc1Br)C[C@@H]1CCCC[C@H]1O ZINC000245547306 645460898 /nfs/dbraw/zinc/46/08/98/645460898.db2.gz MRGQHBXIAIUCER-SWLSCSKDSA-N 1 2 380.290 2.408 20 0 GEADLO C[N@H+](Cc1nnnn1-c1ccccc1Br)C[C@@H]1CCCC[C@H]1O ZINC000245547306 645460903 /nfs/dbraw/zinc/46/09/03/645460903.db2.gz MRGQHBXIAIUCER-SWLSCSKDSA-N 1 2 380.290 2.408 20 0 GEADLO CC[C@@H](CSC)[N@H+](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000245596609 645461131 /nfs/dbraw/zinc/46/11/31/645461131.db2.gz NIRNJMXMQCIGGI-RDJZCZTQSA-N 1 2 390.615 2.408 20 0 GEADLO CC[C@@H](CSC)[N@@H+](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000245596609 645461138 /nfs/dbraw/zinc/46/11/38/645461138.db2.gz NIRNJMXMQCIGGI-RDJZCZTQSA-N 1 2 390.615 2.408 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000246373207 645481287 /nfs/dbraw/zinc/48/12/87/645481287.db2.gz GVVAPVKKYVXODC-CZUORRHYSA-N 1 2 388.295 2.407 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000246373207 645481294 /nfs/dbraw/zinc/48/12/94/645481294.db2.gz GVVAPVKKYVXODC-CZUORRHYSA-N 1 2 388.295 2.407 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1c(F)cccc1Cl ZINC000246703249 645489012 /nfs/dbraw/zinc/48/90/12/645489012.db2.gz FGGFHSBIONGZEO-WOPDTQHZSA-N 1 2 376.881 2.164 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C2CC2)C1 ZINC000247671305 645515933 /nfs/dbraw/zinc/51/59/33/645515933.db2.gz PVWNNDXJJRWCAY-STQMWFEESA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C2CC2)C1 ZINC000247671305 645515939 /nfs/dbraw/zinc/51/59/39/645515939.db2.gz PVWNNDXJJRWCAY-STQMWFEESA-N 1 2 394.320 2.385 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)[C@@H](C)C1 ZINC000249179823 645548617 /nfs/dbraw/zinc/54/86/17/645548617.db2.gz MZKMNFZBKKJVKB-RYUDHWBXSA-N 1 2 398.472 2.374 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)[C@@H](C)C1 ZINC000249179823 645548639 /nfs/dbraw/zinc/54/86/39/645548639.db2.gz MZKMNFZBKKJVKB-RYUDHWBXSA-N 1 2 398.472 2.374 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O)c1ccc(Br)cc1 ZINC000249556112 645556653 /nfs/dbraw/zinc/55/66/53/645556653.db2.gz JTZJBHZQZNMNHG-LALPHHSUSA-N 1 2 382.302 2.212 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O)c1ccc(Br)cc1 ZINC000249556112 645556659 /nfs/dbraw/zinc/55/66/59/645556659.db2.gz JTZJBHZQZNMNHG-LALPHHSUSA-N 1 2 382.302 2.212 20 0 GEADLO Cc1c(Br)cccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261759338 645598025 /nfs/dbraw/zinc/59/80/25/645598025.db2.gz QYHYAONKZJFJSS-OAHLLOKOSA-N 1 2 396.310 2.488 20 0 GEADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000261927942 645612658 /nfs/dbraw/zinc/61/26/58/645612658.db2.gz CKPZVSFIGCSMIH-GFCCVEGCSA-N 1 2 375.281 2.062 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCCc1ccc(Br)s1 ZINC000264235322 645672521 /nfs/dbraw/zinc/67/25/21/645672521.db2.gz GBTZRWHCYHPUEI-UHFFFAOYSA-N 1 2 376.320 2.027 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)CCSc2ccccc2Br)C1 ZINC000264695296 645703472 /nfs/dbraw/zinc/70/34/72/645703472.db2.gz BYSSYONDRKNMAA-CYBMUJFWSA-N 1 2 386.359 2.293 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCSc2ccccc2Br)C1 ZINC000264695296 645703494 /nfs/dbraw/zinc/70/34/94/645703494.db2.gz BYSSYONDRKNMAA-CYBMUJFWSA-N 1 2 386.359 2.293 20 0 GEADLO CN(C)c1nnc(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000264720201 645707006 /nfs/dbraw/zinc/70/70/06/645707006.db2.gz IXCJXYRCTZMGRO-UHFFFAOYSA-N 1 2 377.539 2.041 20 0 GEADLO O=S(=O)(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Br)cn1 ZINC000265637426 645784577 /nfs/dbraw/zinc/78/45/77/645784577.db2.gz UXMAHIHCORGJEV-UHFFFAOYSA-N 1 2 397.298 2.318 20 0 GEADLO C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000265637547 645785460 /nfs/dbraw/zinc/78/54/60/645785460.db2.gz HHTBMOPZVJEZDN-CQSZACIVSA-N 1 2 379.551 2.251 20 0 GEADLO C[C@@H]1CSCC[N@H+]1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000265637547 645785470 /nfs/dbraw/zinc/78/54/70/645785470.db2.gz HHTBMOPZVJEZDN-CQSZACIVSA-N 1 2 379.551 2.251 20 0 GEADLO Clc1ccc(N2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)nc1 ZINC000266061528 645820989 /nfs/dbraw/zinc/82/09/89/645820989.db2.gz ZDDRVLLUINKFKA-UHFFFAOYSA-N 1 2 376.917 2.405 20 0 GEADLO Clc1ccc(N2CCN(c3cc(N4CCSCC4)nc[nH+]3)CC2)nc1 ZINC000266061528 645820992 /nfs/dbraw/zinc/82/09/92/645820992.db2.gz ZDDRVLLUINKFKA-UHFFFAOYSA-N 1 2 376.917 2.405 20 0 GEADLO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000267677707 645916675 /nfs/dbraw/zinc/91/66/75/645916675.db2.gz MFAYZIOGTAZHTB-TZMCWYRMSA-N 1 2 375.296 2.248 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@@H](NS(=O)(=O)c3cccs3)C2)cc(OC)c1 ZINC000268019750 645940066 /nfs/dbraw/zinc/94/00/66/645940066.db2.gz BJGZYNHEQLEHCJ-CQSZACIVSA-N 1 2 382.507 2.318 20 0 GEADLO COc1cc(C[N@H+]2CC[C@@H](NS(=O)(=O)c3cccs3)C2)cc(OC)c1 ZINC000268019750 645940070 /nfs/dbraw/zinc/94/00/70/645940070.db2.gz BJGZYNHEQLEHCJ-CQSZACIVSA-N 1 2 382.507 2.318 20 0 GEADLO COc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc(OC)c1Br ZINC000547984250 651059766 /nfs/dbraw/zinc/05/97/66/651059766.db2.gz SNXIMYDINJDZAY-NSHDSACASA-N 1 2 380.242 2.408 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)c1nnc2c(Cl)cc(C(F)(F)F)cn21 ZINC000268227044 645955820 /nfs/dbraw/zinc/95/58/20/645955820.db2.gz UNUTUBDJGYDMOA-UHFFFAOYSA-N 1 2 379.751 2.109 20 0 GEADLO O=C(C[N@@H+]1CCc2ccccc2[C@H]1CO)Nc1ccc(Br)cn1 ZINC000268506103 645970723 /nfs/dbraw/zinc/97/07/23/645970723.db2.gz USQKMLVTKWZWTB-OAHLLOKOSA-N 1 2 376.254 2.374 20 0 GEADLO O=C(C[N@H+]1CCc2ccccc2[C@H]1CO)Nc1ccc(Br)cn1 ZINC000268506103 645970727 /nfs/dbraw/zinc/97/07/27/645970727.db2.gz USQKMLVTKWZWTB-OAHLLOKOSA-N 1 2 376.254 2.374 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@]3(C)CCS(=O)(=O)C3)n2)C1 ZINC000268510583 645971539 /nfs/dbraw/zinc/97/15/39/645971539.db2.gz RUTFFWFFJVLKJE-LRDDRELGSA-N 1 2 386.543 2.074 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@]3(C)CCS(=O)(=O)C3)n2)C1 ZINC000268510583 645971543 /nfs/dbraw/zinc/97/15/43/645971543.db2.gz RUTFFWFFJVLKJE-LRDDRELGSA-N 1 2 386.543 2.074 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[S@](=O)Cc1c[nH+]cn1C ZINC000268644322 645982913 /nfs/dbraw/zinc/98/29/13/645982913.db2.gz OQMUEIKVVKOZPQ-OAQYLSRUSA-N 1 2 390.328 2.151 20 0 GEADLO C[NH+](C)[C@@H]1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)nc3)nc2)C1 ZINC000269483581 646039046 /nfs/dbraw/zinc/03/90/46/646039046.db2.gz XEBPXZBBUKHTJZ-CYBMUJFWSA-N 1 2 381.889 2.071 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)cc1Cl ZINC000269652894 646048501 /nfs/dbraw/zinc/04/85/01/646048501.db2.gz HACYFHODMJTOCK-UHFFFAOYSA-N 1 2 383.857 2.384 20 0 GEADLO O=S(=O)(N1CCC(Nc2cc(NCC3CC3)[nH+]cn2)CC1)C(F)(F)F ZINC000270222968 646093820 /nfs/dbraw/zinc/09/38/20/646093820.db2.gz MJPNICMDEKGZEH-UHFFFAOYSA-N 1 2 379.408 2.024 20 0 GEADLO O=S(=O)(N1CCC(Nc2cc(NCC3CC3)nc[nH+]2)CC1)C(F)(F)F ZINC000270222968 646093826 /nfs/dbraw/zinc/09/38/26/646093826.db2.gz MJPNICMDEKGZEH-UHFFFAOYSA-N 1 2 379.408 2.024 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000271042880 646167484 /nfs/dbraw/zinc/16/74/84/646167484.db2.gz JUAAKTKYXWGLEP-UHFFFAOYSA-N 1 2 384.523 2.106 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000271323851 646191870 /nfs/dbraw/zinc/19/18/70/646191870.db2.gz CVJDJYZQHNHROF-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000271323851 646191876 /nfs/dbraw/zinc/19/18/76/646191876.db2.gz CVJDJYZQHNHROF-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)cc(Br)c1OC(F)F ZINC000271420886 646204363 /nfs/dbraw/zinc/20/43/63/646204363.db2.gz ZIQCZKSTUGEADY-SECBINFHSA-N 1 2 394.216 2.302 20 0 GEADLO COc1cc(C[N@H+]2CC[C@@H](NC(N)=O)C2)cc(Br)c1OC(F)F ZINC000271420886 646204366 /nfs/dbraw/zinc/20/43/66/646204366.db2.gz ZIQCZKSTUGEADY-SECBINFHSA-N 1 2 394.216 2.302 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000272532345 646276762 /nfs/dbraw/zinc/27/67/62/646276762.db2.gz OXZKLLYILIKKIO-CYBMUJFWSA-N 1 2 380.432 2.408 20 0 GEADLO COC(C[N@H+](CCCO)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)OC ZINC000272763612 646284842 /nfs/dbraw/zinc/28/48/42/646284842.db2.gz QXYYNLWIXRBUKI-GFCCVEGCSA-N 1 2 393.311 2.474 20 0 GEADLO COC(C[N@@H+](CCCO)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)OC ZINC000272763612 646284861 /nfs/dbraw/zinc/28/48/61/646284861.db2.gz QXYYNLWIXRBUKI-GFCCVEGCSA-N 1 2 393.311 2.474 20 0 GEADLO CCOC(=O)C1(O)CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC1 ZINC000273167328 646308429 /nfs/dbraw/zinc/30/84/29/646308429.db2.gz LSFGLLUMDAHMTO-UHFFFAOYSA-N 1 2 396.285 2.295 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000275822954 646360719 /nfs/dbraw/zinc/36/07/19/646360719.db2.gz FJZPVEMSGMRTTJ-CQSZACIVSA-N 1 2 388.961 2.411 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1CN1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000275822954 646360723 /nfs/dbraw/zinc/36/07/23/646360723.db2.gz FJZPVEMSGMRTTJ-CQSZACIVSA-N 1 2 388.961 2.411 20 0 GEADLO Cc1cc(CS(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)no1 ZINC000277169329 646385569 /nfs/dbraw/zinc/38/55/69/646385569.db2.gz MMGJNPKYSPCHDO-QGZVFWFLSA-N 1 2 381.523 2.020 20 0 GEADLO Cc1cc(CS(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)no1 ZINC000277169329 646385572 /nfs/dbraw/zinc/38/55/72/646385572.db2.gz MMGJNPKYSPCHDO-QGZVFWFLSA-N 1 2 381.523 2.020 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc(C)c1Br ZINC000277267909 646396355 /nfs/dbraw/zinc/39/63/55/646396355.db2.gz RIFBCCWYWHWZHT-GFCCVEGCSA-N 1 2 379.258 2.406 20 0 GEADLO O=S(=O)(CCCNc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1 ZINC000277483358 646429465 /nfs/dbraw/zinc/42/94/65/646429465.db2.gz PTTRXDLSPCLJEC-UHFFFAOYSA-N 1 2 378.523 2.306 20 0 GEADLO O=S(=O)(CCCNc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000277483358 646429472 /nfs/dbraw/zinc/42/94/72/646429472.db2.gz PTTRXDLSPCLJEC-UHFFFAOYSA-N 1 2 378.523 2.306 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277856258 646478640 /nfs/dbraw/zinc/47/86/40/646478640.db2.gz TWDDKOCMRWBHQX-HIFRSBDPSA-N 1 2 380.432 2.072 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277856258 646478643 /nfs/dbraw/zinc/47/86/43/646478643.db2.gz TWDDKOCMRWBHQX-HIFRSBDPSA-N 1 2 380.432 2.072 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000278270874 646508851 /nfs/dbraw/zinc/50/88/51/646508851.db2.gz JBPKJYSNIBLQKN-SWLSCSKDSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000278270874 646508855 /nfs/dbraw/zinc/50/88/55/646508855.db2.gz JBPKJYSNIBLQKN-SWLSCSKDSA-N 1 2 376.266 2.434 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000278474444 646523584 /nfs/dbraw/zinc/52/35/84/646523584.db2.gz JAKSKPMARDXNHA-AWEZNQCLSA-N 1 2 378.274 2.224 20 0 GEADLO O=C(CSc1n[nH]c(=S)s1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000278609962 646530403 /nfs/dbraw/zinc/53/04/03/646530403.db2.gz NXBPFXXLZBBIJJ-UHFFFAOYSA-N 1 2 381.552 2.095 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000278841533 646556145 /nfs/dbraw/zinc/55/61/45/646556145.db2.gz JHXYPQNVMKSFCM-CJNGLKHVSA-N 1 2 376.881 2.012 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000278841533 646556147 /nfs/dbraw/zinc/55/61/47/646556147.db2.gz JHXYPQNVMKSFCM-CJNGLKHVSA-N 1 2 376.881 2.012 20 0 GEADLO CS(=O)(=O)C1(C[NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000279595013 646614600 /nfs/dbraw/zinc/61/46/00/646614600.db2.gz CZUYSECBTWINLR-UHFFFAOYSA-N 1 2 398.120 2.273 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000280318669 646671202 /nfs/dbraw/zinc/67/12/02/646671202.db2.gz ILQFOIXNHYHDDE-LBPRGKRZSA-N 1 2 382.511 2.354 20 0 GEADLO Cc1cn2cc(NC(=O)C(=O)N3CCC(C)=C(Br)C3)ccc2[nH+]1 ZINC000280779951 646715925 /nfs/dbraw/zinc/71/59/25/646715925.db2.gz SDULOULPUIYMQB-UHFFFAOYSA-N 1 2 377.242 2.482 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)s1 ZINC000280874325 646727489 /nfs/dbraw/zinc/72/74/89/646727489.db2.gz LNTSYKGWTMUGFM-UHFFFAOYSA-N 1 2 378.479 2.189 20 0 GEADLO O=C(C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1)Nc1ccc(Cl)cn1 ZINC000281347943 646763511 /nfs/dbraw/zinc/76/35/11/646763511.db2.gz MWYDHYSOWBLJJW-UHFFFAOYSA-N 1 2 378.782 2.064 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284096206 646833298 /nfs/dbraw/zinc/83/32/98/646833298.db2.gz NILGHITWAVIZRR-MAZHCROVSA-N 1 2 383.286 2.148 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284096206 646833301 /nfs/dbraw/zinc/83/33/01/646833301.db2.gz NILGHITWAVIZRR-MAZHCROVSA-N 1 2 383.286 2.148 20 0 GEADLO O=S1(=O)CCC[C@@H](C[NH+]2CCN(c3cccc(Br)c3)CC2)C1 ZINC000284679066 646844247 /nfs/dbraw/zinc/84/42/47/646844247.db2.gz GULXXPQZDDYIEA-AWEZNQCLSA-N 1 2 387.343 2.396 20 0 GEADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)ccc1Br ZINC000285602153 646858624 /nfs/dbraw/zinc/85/86/24/646858624.db2.gz CMEGRZQETQFANW-GLQYFDAESA-N 1 2 395.301 2.182 20 0 GEADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)ccc1Br ZINC000285602153 646858628 /nfs/dbraw/zinc/85/86/28/646858628.db2.gz CMEGRZQETQFANW-GLQYFDAESA-N 1 2 395.301 2.182 20 0 GEADLO O=C(NCc1ccsc1Br)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000287775712 646897185 /nfs/dbraw/zinc/89/71/85/646897185.db2.gz YFGVFNKQZKCOLQ-LLVKDONJSA-N 1 2 397.298 2.256 20 0 GEADLO C[C@H](CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)Oc1ccccc1Br ZINC000288498385 646917944 /nfs/dbraw/zinc/91/79/44/646917944.db2.gz WKUGGROLNZXMQS-MFKMUULPSA-N 1 2 393.241 2.103 20 0 GEADLO C[C@H](CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)Oc1ccccc1Br ZINC000288498385 646917960 /nfs/dbraw/zinc/91/79/60/646917960.db2.gz WKUGGROLNZXMQS-MFKMUULPSA-N 1 2 393.241 2.103 20 0 GEADLO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)s1 ZINC000292329811 647188759 /nfs/dbraw/zinc/18/87/59/647188759.db2.gz XBVPOPKZRSHRSY-OAHLLOKOSA-N 1 2 383.543 2.364 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000297836286 647265896 /nfs/dbraw/zinc/26/58/96/647265896.db2.gz LKUZGKVCGOYOGQ-UHFFFAOYSA-N 1 2 393.285 2.153 20 0 GEADLO CCOc1cc(C[N@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)cc(Cl)c1O ZINC000297967629 647268444 /nfs/dbraw/zinc/26/84/44/647268444.db2.gz WYIWNOSGUIVMIK-CQSZACIVSA-N 1 2 391.917 2.470 20 0 GEADLO CCOc1cc(C[N@@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)cc(Cl)c1O ZINC000297967629 647268449 /nfs/dbraw/zinc/26/84/49/647268449.db2.gz WYIWNOSGUIVMIK-CQSZACIVSA-N 1 2 391.917 2.470 20 0 GEADLO Cc1noc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)n1 ZINC000299055480 647270992 /nfs/dbraw/zinc/27/09/92/647270992.db2.gz UNJPBKYXDDXGMR-UHFFFAOYSA-N 1 2 380.246 2.386 20 0 GEADLO O=C(c1cnc(Cl)c(Br)c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000320228577 647291831 /nfs/dbraw/zinc/29/18/31/647291831.db2.gz LYAWGLDIJHHPQR-LBPRGKRZSA-N 1 2 388.693 2.434 20 0 GEADLO O=C(c1cc(Cl)ncc1Br)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000320652130 647292189 /nfs/dbraw/zinc/29/21/89/647292189.db2.gz WTDIPOSNWQOJJI-NSHDSACASA-N 1 2 388.693 2.434 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000328642221 647312199 /nfs/dbraw/zinc/31/21/99/647312199.db2.gz YGYCGYNSYFATRJ-IAQYHMDHSA-N 1 2 385.873 2.281 20 0 GEADLO O=c1onc(-c2cccc(Br)c2)n1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329444700 647321133 /nfs/dbraw/zinc/32/11/33/647321133.db2.gz KRFBTHIFDUXPNV-OKILXGFUSA-N 1 2 380.242 2.129 20 0 GEADLO O=c1onc(-c2cccc(Br)c2)n1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329444700 647321139 /nfs/dbraw/zinc/32/11/39/647321139.db2.gz KRFBTHIFDUXPNV-OKILXGFUSA-N 1 2 380.242 2.129 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000330968707 647361094 /nfs/dbraw/zinc/36/10/94/647361094.db2.gz SLIQOWJZSZKAOD-MELADBBJSA-N 1 2 390.933 2.467 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000330968707 647361096 /nfs/dbraw/zinc/36/10/96/647361096.db2.gz SLIQOWJZSZKAOD-MELADBBJSA-N 1 2 390.933 2.467 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1Cl ZINC000331210172 647371173 /nfs/dbraw/zinc/37/11/73/647371173.db2.gz XJFIMNUCGLGXNA-ZDUSSCGKSA-N 1 2 390.933 2.123 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1Cl ZINC000331210172 647371177 /nfs/dbraw/zinc/37/11/77/647371177.db2.gz XJFIMNUCGLGXNA-ZDUSSCGKSA-N 1 2 390.933 2.123 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000331261864 647374905 /nfs/dbraw/zinc/37/49/05/647374905.db2.gz CYSDMJHTQKYNLE-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000331261864 647374907 /nfs/dbraw/zinc/37/49/07/647374907.db2.gz CYSDMJHTQKYNLE-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO CC(C)SCC[NH+]1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000331859464 647401468 /nfs/dbraw/zinc/40/14/68/647401468.db2.gz YHJIXNMRLDZBCG-UHFFFAOYSA-N 1 2 386.568 2.139 20 0 GEADLO C[C@H](CNC(=O)N1CC[S@@](=O)C(C)(C)CC1)[N@@H+]1CCc2sccc2C1 ZINC000333953785 647486598 /nfs/dbraw/zinc/48/65/98/647486598.db2.gz DRAVSVVELBAWER-DLUDVSRJSA-N 1 2 383.583 2.437 20 0 GEADLO C[C@H](CNC(=O)N1CC[S@@](=O)C(C)(C)CC1)[N@H+]1CCc2sccc2C1 ZINC000333953785 647486603 /nfs/dbraw/zinc/48/66/03/647486603.db2.gz DRAVSVVELBAWER-DLUDVSRJSA-N 1 2 383.583 2.437 20 0 GEADLO CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000334098491 647490368 /nfs/dbraw/zinc/49/03/68/647490368.db2.gz URNBTMLEDBDBPJ-GUTXKFCHSA-N 1 2 385.555 2.481 20 0 GEADLO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000334098491 647490376 /nfs/dbraw/zinc/49/03/76/647490376.db2.gz URNBTMLEDBDBPJ-GUTXKFCHSA-N 1 2 385.555 2.481 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000348739027 647499255 /nfs/dbraw/zinc/49/92/55/647499255.db2.gz IOVAAWHUPDJPSS-KXUCPTDWSA-N 1 2 381.255 2.253 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000348739027 647499262 /nfs/dbraw/zinc/49/92/62/647499262.db2.gz IOVAAWHUPDJPSS-KXUCPTDWSA-N 1 2 381.255 2.253 20 0 GEADLO CC(C)[N@@H+]1CCO[C@H](c2nc(Cc3cc(Br)c[nH]c3=O)no2)C1 ZINC000351234401 647551888 /nfs/dbraw/zinc/55/18/88/647551888.db2.gz PTSIWCBQOXKFDD-LBPRGKRZSA-N 1 2 383.246 2.305 20 0 GEADLO CC(C)[N@H+]1CCO[C@H](c2nc(Cc3cc(Br)c[nH]c3=O)no2)C1 ZINC000351234401 647551897 /nfs/dbraw/zinc/55/18/97/647551897.db2.gz PTSIWCBQOXKFDD-LBPRGKRZSA-N 1 2 383.246 2.305 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2cc(Br)ccc2C)CC1 ZINC000361613847 647562233 /nfs/dbraw/zinc/56/22/33/647562233.db2.gz SLSARURGBGLPJV-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2cc(Br)ccc2C)CC1 ZINC000361613847 647562236 /nfs/dbraw/zinc/56/22/36/647562236.db2.gz SLSARURGBGLPJV-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO Cc1ccc(N2CCC(NC(=O)CSc3n[nH]c(=S)s3)CC2)[nH+]c1 ZINC000362845918 647574342 /nfs/dbraw/zinc/57/43/42/647574342.db2.gz FDSFZYALUFJCJC-UHFFFAOYSA-N 1 2 381.552 2.408 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000362994075 647578335 /nfs/dbraw/zinc/57/83/35/647578335.db2.gz LIWVWKPFLJFPHO-UHFFFAOYSA-N 1 2 397.317 2.352 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000362994075 647578343 /nfs/dbraw/zinc/57/83/43/647578343.db2.gz LIWVWKPFLJFPHO-UHFFFAOYSA-N 1 2 397.317 2.352 20 0 GEADLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2coc(Br)c2)CC1 ZINC000363021005 647579170 /nfs/dbraw/zinc/57/91/70/647579170.db2.gz BAYLSJWCCKRHQK-UHFFFAOYSA-N 1 2 386.290 2.105 20 0 GEADLO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)c2coc(Br)c2)CC1 ZINC000363021005 647579178 /nfs/dbraw/zinc/57/91/78/647579178.db2.gz BAYLSJWCCKRHQK-UHFFFAOYSA-N 1 2 386.290 2.105 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c(Br)c1OC ZINC000363638642 647604142 /nfs/dbraw/zinc/60/41/42/647604142.db2.gz SJAIIOBVQVXMBU-ZDUSSCGKSA-N 1 2 398.301 2.456 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c(Br)c1OC ZINC000363638642 647604146 /nfs/dbraw/zinc/60/41/46/647604146.db2.gz SJAIIOBVQVXMBU-ZDUSSCGKSA-N 1 2 398.301 2.456 20 0 GEADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CSCc2cccc(Cl)c2)CC1 ZINC000363642511 647604650 /nfs/dbraw/zinc/60/46/50/647604650.db2.gz BFVSNRHLOFWVOQ-UHFFFAOYSA-N 1 2 383.945 2.196 20 0 GEADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CSCc2cccc(Cl)c2)CC1 ZINC000363642511 647604656 /nfs/dbraw/zinc/60/46/56/647604656.db2.gz BFVSNRHLOFWVOQ-UHFFFAOYSA-N 1 2 383.945 2.196 20 0 GEADLO Cc1nc(C(F)(F)F)c(CN2CC[NH+](C3(C(N)=O)CCCC3)CC2)s1 ZINC000363899248 647611069 /nfs/dbraw/zinc/61/10/69/647611069.db2.gz DUKYUBDEIGPIKR-UHFFFAOYSA-N 1 2 376.448 2.386 20 0 GEADLO C[C@@H]1C[N@H+](CCCNC(=O)N=c2nc(-c3ccsc3)[nH]s2)CCCO1 ZINC000363917909 647612887 /nfs/dbraw/zinc/61/28/87/647612887.db2.gz HAXBHTXUMGFNTM-GFCCVEGCSA-N 1 2 381.527 2.311 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNC(=O)N=c2nc(-c3ccsc3)[nH]s2)CCCO1 ZINC000363917909 647612892 /nfs/dbraw/zinc/61/28/92/647612892.db2.gz HAXBHTXUMGFNTM-GFCCVEGCSA-N 1 2 381.527 2.311 20 0 GEADLO CC[C@H](Cc1ccccc1Br)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000363962369 647613746 /nfs/dbraw/zinc/61/37/46/647613746.db2.gz QCYJLIGNVOVAKW-CQSZACIVSA-N 1 2 396.329 2.037 20 0 GEADLO CC[C@H](Cc1ccccc1Br)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000363962369 647613751 /nfs/dbraw/zinc/61/37/51/647613751.db2.gz QCYJLIGNVOVAKW-CQSZACIVSA-N 1 2 396.329 2.037 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000364329116 647621489 /nfs/dbraw/zinc/62/14/89/647621489.db2.gz PVNPYYNJQXXTFK-SJORKVTESA-N 1 2 386.945 2.165 20 0 GEADLO C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1ncc(Br)cc1F ZINC000364476053 647628551 /nfs/dbraw/zinc/62/85/51/647628551.db2.gz CUMKXQALCSZMMB-JOYOIKCWSA-N 1 2 382.237 2.173 20 0 GEADLO C[N@@H+]1CCN(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)CC2)C(=O)C1 ZINC000365134961 647660725 /nfs/dbraw/zinc/66/07/25/647660725.db2.gz GWEIKATUBZRPHK-ZIAGYGMSSA-N 1 2 381.929 2.270 20 0 GEADLO C[N@H+]1CCN(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)CC2)C(=O)C1 ZINC000365134961 647660728 /nfs/dbraw/zinc/66/07/28/647660728.db2.gz GWEIKATUBZRPHK-ZIAGYGMSSA-N 1 2 381.929 2.270 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000366792734 647705085 /nfs/dbraw/zinc/70/50/85/647705085.db2.gz AJUFBDFWPKEVDW-KBPBESRZSA-N 1 2 386.880 2.245 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000366792734 647705091 /nfs/dbraw/zinc/70/50/91/647705091.db2.gz AJUFBDFWPKEVDW-KBPBESRZSA-N 1 2 386.880 2.245 20 0 GEADLO NS(=O)(=O)C1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000367141407 647721387 /nfs/dbraw/zinc/72/13/87/647721387.db2.gz SLHWLPCZRCHPHB-UHFFFAOYSA-N 1 2 388.262 2.394 20 0 GEADLO CN1CC[NH+]([C@H]2CCCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 ZINC000367281961 647726508 /nfs/dbraw/zinc/72/65/08/647726508.db2.gz FNGIGIXEFJOWIW-SFHVURJKSA-N 1 2 385.961 2.272 20 0 GEADLO COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000367528924 647735125 /nfs/dbraw/zinc/73/51/25/647735125.db2.gz KDVPTPWUXBJVLU-AWEZNQCLSA-N 1 2 378.441 2.199 20 0 GEADLO COc1ccc(OC(F)F)c(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000367528924 647735130 /nfs/dbraw/zinc/73/51/30/647735130.db2.gz KDVPTPWUXBJVLU-AWEZNQCLSA-N 1 2 378.441 2.199 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000367925263 647748135 /nfs/dbraw/zinc/74/81/35/647748135.db2.gz FIIUKRABDGKRIO-CQSZACIVSA-N 1 2 392.301 2.464 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000368081174 647749939 /nfs/dbraw/zinc/74/99/39/647749939.db2.gz BSGXUPMOTBCJEL-ZJUUUORDSA-N 1 2 375.778 2.365 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000368081174 647749944 /nfs/dbraw/zinc/74/99/44/647749944.db2.gz BSGXUPMOTBCJEL-ZJUUUORDSA-N 1 2 375.778 2.365 20 0 GEADLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000373661383 647814820 /nfs/dbraw/zinc/81/48/20/647814820.db2.gz XYMDMXWHLNCTGT-NSHDSACASA-N 1 2 383.905 2.275 20 0 GEADLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000373661383 647814822 /nfs/dbraw/zinc/81/48/22/647814822.db2.gz XYMDMXWHLNCTGT-NSHDSACASA-N 1 2 383.905 2.275 20 0 GEADLO CN(C(=O)C[NH+]1CCC(Cn2cc(Br)cn2)CC1)c1nccs1 ZINC000374645905 647824302 /nfs/dbraw/zinc/82/43/02/647824302.db2.gz KFIAQIBJWOVOIJ-UHFFFAOYSA-N 1 2 398.330 2.477 20 0 GEADLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(S(=O)(=O)NC1CCCC1)CC2 ZINC000377840441 647868381 /nfs/dbraw/zinc/86/83/81/647868381.db2.gz SEEYQPONHFIJNE-OAHLLOKOSA-N 1 2 384.571 2.206 20 0 GEADLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(S(=O)(=O)NC1CCCC1)CC2 ZINC000377840441 647868383 /nfs/dbraw/zinc/86/83/83/647868383.db2.gz SEEYQPONHFIJNE-OAHLLOKOSA-N 1 2 384.571 2.206 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000378482595 647882152 /nfs/dbraw/zinc/88/21/52/647882152.db2.gz FDLQGIQIWDZDRG-IPYPFGDCSA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000378482595 647882155 /nfs/dbraw/zinc/88/21/55/647882155.db2.gz FDLQGIQIWDZDRG-IPYPFGDCSA-N 1 2 392.279 2.386 20 0 GEADLO C[N@@H+]1CCN(C2CCN(C(=O)CSc3ccccc3Cl)CC2)C(=O)C1 ZINC000378558409 647884463 /nfs/dbraw/zinc/88/44/63/647884463.db2.gz HOCADOUHZGUFCS-UHFFFAOYSA-N 1 2 381.929 2.197 20 0 GEADLO C[N@H+]1CCN(C2CCN(C(=O)CSc3ccccc3Cl)CC2)C(=O)C1 ZINC000378558409 647884467 /nfs/dbraw/zinc/88/44/67/647884467.db2.gz HOCADOUHZGUFCS-UHFFFAOYSA-N 1 2 381.929 2.197 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[N@@H+]1CC(C)(C)O ZINC000408114731 647927976 /nfs/dbraw/zinc/92/79/76/647927976.db2.gz IGXKVSCDKDNJHR-SNVBAGLBSA-N 1 2 382.860 2.084 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[N@H+]1CC(C)(C)O ZINC000408114731 647927981 /nfs/dbraw/zinc/92/79/81/647927981.db2.gz IGXKVSCDKDNJHR-SNVBAGLBSA-N 1 2 382.860 2.084 20 0 GEADLO C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C[C@H](C)[N@H+]1C ZINC000408169220 647931994 /nfs/dbraw/zinc/93/19/94/647931994.db2.gz OPLNJBAFGQNUCF-OKILXGFUSA-N 1 2 385.555 2.087 20 0 GEADLO C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C[C@H](C)[N@@H+]1C ZINC000408169220 647932002 /nfs/dbraw/zinc/93/20/02/647932002.db2.gz OPLNJBAFGQNUCF-OKILXGFUSA-N 1 2 385.555 2.087 20 0 GEADLO C[C@@](CO)([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccc(Br)cc1 ZINC000411724141 648034568 /nfs/dbraw/zinc/03/45/68/648034568.db2.gz YJDHUPZRLQGVPG-HNNXBMFYSA-N 1 2 388.283 2.443 20 0 GEADLO CNC(=O)NC1CC[NH+](Cc2c(Br)cccc2C(=O)OC)CC1 ZINC000412054256 648042615 /nfs/dbraw/zinc/04/26/15/648042615.db2.gz LEVMLRVPYBADPR-UHFFFAOYSA-N 1 2 384.274 2.129 20 0 GEADLO Cc1nc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c(Br)s1 ZINC000412305457 648047224 /nfs/dbraw/zinc/04/72/24/648047224.db2.gz NZHCTNQVLDAARA-UHFFFAOYSA-N 1 2 376.320 2.397 20 0 GEADLO Cc1nc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c(Br)s1 ZINC000412305457 648047231 /nfs/dbraw/zinc/04/72/31/648047231.db2.gz NZHCTNQVLDAARA-UHFFFAOYSA-N 1 2 376.320 2.397 20 0 GEADLO CC[C@@H](CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)CC(F)(F)F ZINC000413159019 648060197 /nfs/dbraw/zinc/06/01/97/648060197.db2.gz KCIRNCNRTZRDDM-UKRRQHHQSA-N 1 2 383.480 2.472 20 0 GEADLO C[C@H](CNc1cc(NC[C@H](C)O)[nH+]cn1)Oc1cccc(Br)c1 ZINC000413164244 648060826 /nfs/dbraw/zinc/06/08/26/648060826.db2.gz HITGBHVCPRSVHA-NWDGAFQWSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@H](CNc1cc(NC[C@H](C)O)nc[nH+]1)Oc1cccc(Br)c1 ZINC000413164244 648060832 /nfs/dbraw/zinc/06/08/32/648060832.db2.gz HITGBHVCPRSVHA-NWDGAFQWSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1nc2ncccn2n1 ZINC000414271006 648088941 /nfs/dbraw/zinc/08/89/41/648088941.db2.gz QNSADYGJFSXDBR-NSHDSACASA-N 1 2 389.257 2.394 20 0 GEADLO NS(=O)(=O)c1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)cc1Cl ZINC000414291099 648090564 /nfs/dbraw/zinc/09/05/64/648090564.db2.gz KEIPPATVMIHDSK-UHFFFAOYSA-N 1 2 380.901 2.985 20 0 GEADLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)CC1 ZINC000416495072 648148521 /nfs/dbraw/zinc/14/85/21/648148521.db2.gz KOUIPCYGSZAZME-GFCCVEGCSA-N 1 2 387.933 2.113 20 0 GEADLO CCOc1ccc(S(=O)(=O)NCCc2cn(C)c[nH+]2)cc1Br ZINC000416537542 648165285 /nfs/dbraw/zinc/16/52/85/648165285.db2.gz TWPFGNKNSILBII-UHFFFAOYSA-N 1 2 388.287 2.102 20 0 GEADLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1C(F)(F)F ZINC000416671830 648208206 /nfs/dbraw/zinc/20/82/06/648208206.db2.gz XDYYUCTYKSSMPA-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1C(F)(F)F ZINC000416671830 648208209 /nfs/dbraw/zinc/20/82/09/648208209.db2.gz XDYYUCTYKSSMPA-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC1 ZINC000417015589 648221998 /nfs/dbraw/zinc/22/19/98/648221998.db2.gz MUJVPOAIEGKLBC-UHFFFAOYSA-N 1 2 377.272 2.199 20 0 GEADLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000418772116 648311341 /nfs/dbraw/zinc/31/13/41/648311341.db2.gz UGGQWOYLAHPIDE-LBPRGKRZSA-N 1 2 392.903 2.474 20 0 GEADLO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419745251 648374402 /nfs/dbraw/zinc/37/44/02/648374402.db2.gz KEQAMPQBNFZHRH-GFCCVEGCSA-N 1 2 392.363 2.307 20 0 GEADLO CC[C@H](CS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)OC ZINC000420658235 648427959 /nfs/dbraw/zinc/42/79/59/648427959.db2.gz GUVKJMQZRWFJSF-OAHLLOKOSA-N 1 2 376.469 2.274 20 0 GEADLO Cc1c(Cl)c(C[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)nn1C ZINC000421326038 648487281 /nfs/dbraw/zinc/48/72/81/648487281.db2.gz MYRYGMOEAOVXCD-UHFFFAOYSA-N 1 2 384.933 2.500 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000422277032 648532202 /nfs/dbraw/zinc/53/22/02/648532202.db2.gz HIWCGQZFQXXFQF-CQSZACIVSA-N 1 2 378.885 2.086 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CS1 ZINC000422384535 648541917 /nfs/dbraw/zinc/54/19/17/648541917.db2.gz GFPDPZNLDXIIBR-IPOQPSJVSA-N 1 2 381.929 2.212 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CS1 ZINC000422384535 648541919 /nfs/dbraw/zinc/54/19/19/648541919.db2.gz GFPDPZNLDXIIBR-IPOQPSJVSA-N 1 2 381.929 2.212 20 0 GEADLO COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000423271816 648588886 /nfs/dbraw/zinc/58/88/86/648588886.db2.gz YFLXUNRLYLQTBQ-OAHLLOKOSA-N 1 2 382.873 2.258 20 0 GEADLO COc1c(Br)ccc(C)c1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000424663645 648637334 /nfs/dbraw/zinc/63/73/34/648637334.db2.gz IKCHNQQXZYYIQE-CYBMUJFWSA-N 1 2 383.286 2.359 20 0 GEADLO COc1c(Br)ccc(C)c1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000424663645 648637338 /nfs/dbraw/zinc/63/73/38/648637338.db2.gz IKCHNQQXZYYIQE-CYBMUJFWSA-N 1 2 383.286 2.359 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000425211216 648671853 /nfs/dbraw/zinc/67/18/53/648671853.db2.gz XRBYUTGIHSGSML-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C[C@@H](OC)C2CC2)CC1 ZINC000425413809 648675377 /nfs/dbraw/zinc/67/53/77/648675377.db2.gz HGKXQQPHNXSEEV-MRXNPFEDSA-N 1 2 388.917 2.080 20 0 GEADLO O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427055055 648721220 /nfs/dbraw/zinc/72/12/20/648721220.db2.gz RIYTVRRVPIHZAJ-SNVBAGLBSA-N 1 2 397.660 2.369 20 0 GEADLO C[C@H](C[S@](C)=O)N(C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428353564 648732712 /nfs/dbraw/zinc/73/27/12/648732712.db2.gz VMOIFSTVNNXPKK-PWECECGKSA-N 1 2 386.587 2.012 20 0 GEADLO CC(=O)Nc1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000432512323 648776679 /nfs/dbraw/zinc/77/66/79/648776679.db2.gz GBCWKDGMHOAIRD-HNNXBMFYSA-N 1 2 377.242 2.119 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435664206 648785157 /nfs/dbraw/zinc/78/51/57/648785157.db2.gz LRNXGRDJORZMOA-ZWNOBZJWSA-N 1 2 377.242 2.276 20 0 GEADLO CCC1(O)CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000441371731 648825938 /nfs/dbraw/zinc/82/59/38/648825938.db2.gz VKWIXCKWHOQFNT-UHFFFAOYSA-N 1 2 376.316 2.460 20 0 GEADLO CC(C)c1nnc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)s1 ZINC000442541870 648844523 /nfs/dbraw/zinc/84/45/23/648844523.db2.gz OIUWKDUHOPREII-UHFFFAOYSA-N 1 2 380.436 2.388 20 0 GEADLO O=C(NCCNc1cccc(Br)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548661106 651082728 /nfs/dbraw/zinc/08/27/28/651082728.db2.gz POQQBOGYAXITDN-CQSZACIVSA-N 1 2 378.274 2.372 20 0 GEADLO O=C(N[C@H](CCO)c1ccccc1Br)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548661394 651082765 /nfs/dbraw/zinc/08/27/65/651082765.db2.gz RDNNRLOKHPZELT-SWLSCSKDSA-N 1 2 393.285 2.383 20 0 GEADLO Cc1csc(-c2cccc(S(=O)(=O)NCC[N@@H+]3CCCOCC3)c2)n1 ZINC000548773219 651085565 /nfs/dbraw/zinc/08/55/65/651085565.db2.gz UGKYSIZUUHALCN-UHFFFAOYSA-N 1 2 381.523 2.119 20 0 GEADLO Cc1csc(-c2cccc(S(=O)(=O)NCC[N@H+]3CCCOCC3)c2)n1 ZINC000548773219 651085567 /nfs/dbraw/zinc/08/55/67/651085567.db2.gz UGKYSIZUUHALCN-UHFFFAOYSA-N 1 2 381.523 2.119 20 0 GEADLO C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000550415376 651110821 /nfs/dbraw/zinc/11/08/21/651110821.db2.gz XQIVYIRGJUTNQU-WWGRRREGSA-N 1 2 383.945 2.411 20 0 GEADLO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000551397770 651123859 /nfs/dbraw/zinc/12/38/59/651123859.db2.gz OQUQYBAEKZUQHO-ZDUSSCGKSA-N 1 2 393.285 2.117 20 0 GEADLO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000551399010 651123933 /nfs/dbraw/zinc/12/39/33/651123933.db2.gz ISZATFQGASXWAR-NEPJUHHUSA-N 1 2 383.279 2.442 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCc3ccc(Br)cc3C2)C[C@H](C)O1 ZINC000551747601 651131337 /nfs/dbraw/zinc/13/13/37/651131337.db2.gz CWCVLOYXGMPXGY-QWQRMKEZSA-N 1 2 383.330 2.277 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCc3ccc(Br)cc3C2)C[C@H](C)O1 ZINC000551747601 651131338 /nfs/dbraw/zinc/13/13/38/651131338.db2.gz CWCVLOYXGMPXGY-QWQRMKEZSA-N 1 2 383.330 2.277 20 0 GEADLO COCCCS(=O)(=O)N1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000553168274 651166964 /nfs/dbraw/zinc/16/69/64/651166964.db2.gz DQZVBXBMJTXYGZ-UHFFFAOYSA-N 1 2 383.901 2.377 20 0 GEADLO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)Cc1c[nH+]cn1C ZINC000554581231 651207362 /nfs/dbraw/zinc/20/73/62/651207362.db2.gz YQZJAAWRKRCXPI-UHFFFAOYSA-N 1 2 383.279 2.434 20 0 GEADLO O=C(NCCOCC(F)(F)C(F)F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000555808437 651230557 /nfs/dbraw/zinc/23/05/57/651230557.db2.gz PFDIJJROXNRCJE-UHFFFAOYSA-N 1 2 383.411 2.492 20 0 GEADLO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)C1=O ZINC000556106260 651236818 /nfs/dbraw/zinc/23/68/18/651236818.db2.gz DTOVNTZVIZZQFY-ZDUSSCGKSA-N 1 2 381.274 2.311 20 0 GEADLO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@H]2c2ccc(Br)cn2)C1=O ZINC000556106260 651236820 /nfs/dbraw/zinc/23/68/20/651236820.db2.gz DTOVNTZVIZZQFY-ZDUSSCGKSA-N 1 2 381.274 2.311 20 0 GEADLO C[C@@H](C[NH+]1CCN(c2cccc(Br)c2)CC1)CS(C)(=O)=O ZINC000556508612 651245909 /nfs/dbraw/zinc/24/59/09/651245909.db2.gz PSSWCKGZOLNSRH-ZDUSSCGKSA-N 1 2 375.332 2.252 20 0 GEADLO O=C(C[NH2+]C1(c2ccccc2Br)CCCCC1)Nc1nn[nH]n1 ZINC000556819911 651254059 /nfs/dbraw/zinc/25/40/59/651254059.db2.gz DQWFQVYCWSQKTM-UHFFFAOYSA-N 1 2 379.262 2.350 20 0 GEADLO COc1cc(OC)nc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000557629375 651270842 /nfs/dbraw/zinc/27/08/42/651270842.db2.gz MBSBGAJUGPEBAM-UHFFFAOYSA-N 1 2 392.257 2.867 20 0 GEADLO CC[C@@H](C[NH2+]Cc1nccn1S(=O)(=O)N(C)C)Oc1cccc(Cl)c1 ZINC000558566906 651281600 /nfs/dbraw/zinc/28/16/00/651281600.db2.gz VCJNBYDMUMLDLR-AWEZNQCLSA-N 1 2 386.905 2.138 20 0 GEADLO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000558968287 651289147 /nfs/dbraw/zinc/28/91/47/651289147.db2.gz LXHWCQHWFSIKJC-UHFFFAOYSA-N 1 2 386.677 2.348 20 0 GEADLO COCc1c(Br)cccc1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000560746175 651314234 /nfs/dbraw/zinc/31/42/34/651314234.db2.gz ZBTIXINACMJYNE-GFCCVEGCSA-N 1 2 386.290 2.438 20 0 GEADLO COCc1c(Br)cccc1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000560746175 651314235 /nfs/dbraw/zinc/31/42/35/651314235.db2.gz ZBTIXINACMJYNE-GFCCVEGCSA-N 1 2 386.290 2.438 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@@H](CCc2ccccc2)C(F)F)C1 ZINC000562055059 651487426 /nfs/dbraw/zinc/48/74/26/651487426.db2.gz LFHSZMUOYPANTP-CVEARBPZSA-N 1 2 375.485 2.113 20 0 GEADLO COc1ccc(NC(=S)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1F ZINC000726477654 651494993 /nfs/dbraw/zinc/49/49/93/651494993.db2.gz UCVNSKXNXQTIPR-QGZVFWFLSA-N 1 2 385.530 2.329 20 0 GEADLO C[C@H]1C[N@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC[S@](=O)C1 ZINC000562426487 651495383 /nfs/dbraw/zinc/49/53/83/651495383.db2.gz MBGDEVONFWNNDA-VDBVYFBLSA-N 1 2 378.567 2.395 20 0 GEADLO C[C@H]1C[N@@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC[S@](=O)C1 ZINC000562426487 651495386 /nfs/dbraw/zinc/49/53/86/651495386.db2.gz MBGDEVONFWNNDA-VDBVYFBLSA-N 1 2 378.567 2.395 20 0 GEADLO CC1(C(N)=O)C[NH+](Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC000563068608 651506802 /nfs/dbraw/zinc/50/68/02/651506802.db2.gz OPXZXSWDEMWTOP-UHFFFAOYSA-N 1 2 397.216 2.253 20 0 GEADLO Cc1cc(S(=O)(=O)NCC[NH+]2CCSCC2)c(C)cc1Br ZINC000604888908 651525821 /nfs/dbraw/zinc/52/58/21/651525821.db2.gz FFAAJIPWSDXDJA-UHFFFAOYSA-N 1 2 393.372 2.393 20 0 GEADLO O=C([C@@H]1CC(=O)Nc2ccc(Br)cc21)N1CCn2c[nH+]cc2C1 ZINC000563696382 651538022 /nfs/dbraw/zinc/53/80/22/651538022.db2.gz NDXWZHBKEBVSIU-CYBMUJFWSA-N 1 2 375.226 2.114 20 0 GEADLO CN(C1CC1)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000605591682 651540972 /nfs/dbraw/zinc/54/09/72/651540972.db2.gz VKHYRHRRMCQVOG-AWEZNQCLSA-N 1 2 375.897 2.372 20 0 GEADLO CN(C1CC1)S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000605591682 651540977 /nfs/dbraw/zinc/54/09/77/651540977.db2.gz VKHYRHRRMCQVOG-AWEZNQCLSA-N 1 2 375.897 2.372 20 0 GEADLO C[C@@H](CC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000563959222 651548053 /nfs/dbraw/zinc/54/80/53/651548053.db2.gz GJKGFQFYYWUREP-LRDDRELGSA-N 1 2 391.269 2.296 20 0 GEADLO Cn1cccc1C(=O)N1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000728913247 651554908 /nfs/dbraw/zinc/55/49/08/651554908.db2.gz ORBXYBWYFYUMJN-KRWDZBQOSA-N 1 2 392.297 2.279 20 0 GEADLO Cc1cc(Br)cn2cc(CCNS(=O)(=O)c3ccccn3)[nH+]c12 ZINC000564690069 651575371 /nfs/dbraw/zinc/57/53/71/651575371.db2.gz XRKRFXOKUZKZDQ-UHFFFAOYSA-N 1 2 395.282 2.321 20 0 GEADLO O=C(COc1ccc(Cl)c(F)c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000645123577 651589275 /nfs/dbraw/zinc/58/92/75/651589275.db2.gz ZHFJHTFGCAAZGV-KRWDZBQOSA-N 1 2 388.892 2.182 20 0 GEADLO COc1cc(CNC(=O)NCCNc2cccc[nH+]2)c(Br)cc1O ZINC000645125865 651589656 /nfs/dbraw/zinc/58/96/56/651589656.db2.gz UMXQOBDJVLMAIM-UHFFFAOYSA-N 1 2 395.257 2.470 20 0 GEADLO Cc1cccc2cc(S(=O)(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)sc21 ZINC000645564981 651620799 /nfs/dbraw/zinc/62/07/99/651620799.db2.gz LVOFSAPNHXIGIH-AWEZNQCLSA-N 1 2 381.567 2.372 20 0 GEADLO CCCCCC[C@@H](C)NC(=O)C[NH+]1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000731355822 651624548 /nfs/dbraw/zinc/62/45/48/651624548.db2.gz JXWGJZACGGRHJH-MRXNPFEDSA-N 1 2 375.579 2.207 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ncsc3Br)cc2C1 ZINC000567958595 651641388 /nfs/dbraw/zinc/64/13/88/651641388.db2.gz RNBMLEFQIMWRFX-UHFFFAOYSA-N 1 2 395.282 2.001 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ncsc3Br)cc2C1 ZINC000567958595 651641391 /nfs/dbraw/zinc/64/13/91/651641391.db2.gz RNBMLEFQIMWRFX-UHFFFAOYSA-N 1 2 395.282 2.001 20 0 GEADLO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000567967371 651641833 /nfs/dbraw/zinc/64/18/33/651641833.db2.gz LWJCIRRTXZIJJG-ZDUSSCGKSA-N 1 2 381.885 2.079 20 0 GEADLO CN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000732161123 651647002 /nfs/dbraw/zinc/64/70/02/651647002.db2.gz VCNHTIJUDQCOSD-AWEZNQCLSA-N 1 2 376.400 2.146 20 0 GEADLO COc1cc(C[NH2+]Cc2ncccn2)cc(I)c1OC ZINC000568274667 651660725 /nfs/dbraw/zinc/66/07/25/651660725.db2.gz FQGIIEAAPUIUJD-UHFFFAOYSA-N 1 2 385.205 2.388 20 0 GEADLO C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000568346843 651662742 /nfs/dbraw/zinc/66/27/42/651662742.db2.gz HZTCHAUBEKVUSN-HNNXBMFYSA-N 1 2 384.567 2.086 20 0 GEADLO COc1cc(CNC(=O)N2CCn3c[nH+]cc3C2)c(Br)cc1O ZINC000645924097 651669446 /nfs/dbraw/zinc/66/94/46/651669446.db2.gz GZVAXPYOEUHVJG-UHFFFAOYSA-N 1 2 381.230 2.085 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc(I)c2)C[C@H]1C ZINC000611083831 651705769 /nfs/dbraw/zinc/70/57/69/651705769.db2.gz AKKKDPVLFAYIPS-LLVKDONJSA-N 1 2 394.278 2.006 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cccc(I)c2)C[C@H]1C ZINC000611083831 651705775 /nfs/dbraw/zinc/70/57/75/651705775.db2.gz AKKKDPVLFAYIPS-LLVKDONJSA-N 1 2 394.278 2.006 20 0 GEADLO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccccc1C[NH+](C)C ZINC000733869515 651725819 /nfs/dbraw/zinc/72/58/19/651725819.db2.gz VVVLAKKNZWGARU-UHFFFAOYSA-N 1 2 382.507 2.261 20 0 GEADLO CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000570078976 651745008 /nfs/dbraw/zinc/74/50/08/651745008.db2.gz GVSVIUWJQJGJLD-OCCSQVGLSA-N 1 2 388.559 2.031 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000570102706 651747418 /nfs/dbraw/zinc/74/74/18/651747418.db2.gz SAHWMTCSMVDOIM-YPMHNXCESA-N 1 2 389.253 2.203 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCc2ccc(Br)cc2C1 ZINC000570646383 651780648 /nfs/dbraw/zinc/78/06/48/651780648.db2.gz HGBPIHCLUZPRIA-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000648376288 651785478 /nfs/dbraw/zinc/78/54/78/651785478.db2.gz AEPNBISCSGGGNH-LLVKDONJSA-N 1 2 393.285 2.244 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000648376288 651785489 /nfs/dbraw/zinc/78/54/89/651785489.db2.gz AEPNBISCSGGGNH-LLVKDONJSA-N 1 2 393.285 2.244 20 0 GEADLO CO[C@H](C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)[C@@H]1CCOC1 ZINC000613478118 651787936 /nfs/dbraw/zinc/78/79/36/651787936.db2.gz ASGBVEYDYRANFA-DOMZBBRYSA-N 1 2 396.285 2.115 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000735754743 651794593 /nfs/dbraw/zinc/79/45/93/651794593.db2.gz ATJXVFUEIRKLBS-NHYWBVRUSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000735754743 651794597 /nfs/dbraw/zinc/79/45/97/651794597.db2.gz ATJXVFUEIRKLBS-NHYWBVRUSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735760390 651795188 /nfs/dbraw/zinc/79/51/88/651795188.db2.gz WJANHAJEPMCBMK-NHYWBVRUSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735760390 651795191 /nfs/dbraw/zinc/79/51/91/651795191.db2.gz WJANHAJEPMCBMK-NHYWBVRUSA-N 1 2 376.284 2.047 20 0 GEADLO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@H]1CCn2cc[nH+]c2C1 ZINC000570886098 651797892 /nfs/dbraw/zinc/79/78/92/651797892.db2.gz VPYJMXFKJCNEOC-AWEZNQCLSA-N 1 2 389.253 2.425 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000648771167 651801053 /nfs/dbraw/zinc/80/10/53/651801053.db2.gz GHTNMIZZVPHDJR-MNOVXSKESA-N 1 2 389.265 2.436 20 0 GEADLO Cc1sc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1Br ZINC000570955310 651802051 /nfs/dbraw/zinc/80/20/51/651802051.db2.gz GGCRACYXZZMTES-UHFFFAOYSA-N 1 2 399.314 2.600 20 0 GEADLO Cc1nc(SCCC(=O)Nc2ccc(Cl)c(C[N@H+](C)CCO)c2)n[nH]1 ZINC000614384632 651825352 /nfs/dbraw/zinc/82/53/52/651825352.db2.gz ZOYWUEGJSGRQRH-UHFFFAOYSA-N 1 2 383.905 2.312 20 0 GEADLO Cc1nc(SCCC(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)n[nH]1 ZINC000614384632 651825355 /nfs/dbraw/zinc/82/53/55/651825355.db2.gz ZOYWUEGJSGRQRH-UHFFFAOYSA-N 1 2 383.905 2.312 20 0 GEADLO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000571404368 651830970 /nfs/dbraw/zinc/83/09/70/651830970.db2.gz YKWYNTOQBXXNSF-JTQLQIEISA-N 1 2 389.257 2.336 20 0 GEADLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000614924979 651845574 /nfs/dbraw/zinc/84/55/74/651845574.db2.gz QIHMVEKMWVMXOH-CQSZACIVSA-N 1 2 379.404 2.117 20 0 GEADLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000614924979 651845576 /nfs/dbraw/zinc/84/55/76/651845576.db2.gz QIHMVEKMWVMXOH-CQSZACIVSA-N 1 2 379.404 2.117 20 0 GEADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615128024 651851333 /nfs/dbraw/zinc/85/13/33/651851333.db2.gz LSEINEATBAEICM-IUODEOHRSA-N 1 2 391.269 2.283 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cccc2c1OCC2)[N@@H+]1CCc2sccc2C1 ZINC000571990270 651865587 /nfs/dbraw/zinc/86/55/87/651865587.db2.gz IVEISPNWUIAJMQ-ZDUSSCGKSA-N 1 2 378.519 2.408 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cccc2c1OCC2)[N@H+]1CCc2sccc2C1 ZINC000571990270 651865592 /nfs/dbraw/zinc/86/55/92/651865592.db2.gz IVEISPNWUIAJMQ-ZDUSSCGKSA-N 1 2 378.519 2.408 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cccc2c1OCC2)[N@@H+]1CCc2sccc2C1 ZINC000571990269 651865635 /nfs/dbraw/zinc/86/56/35/651865635.db2.gz IVEISPNWUIAJMQ-CYBMUJFWSA-N 1 2 378.519 2.408 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cccc2c1OCC2)[N@H+]1CCc2sccc2C1 ZINC000571990269 651865639 /nfs/dbraw/zinc/86/56/39/651865639.db2.gz IVEISPNWUIAJMQ-CYBMUJFWSA-N 1 2 378.519 2.408 20 0 GEADLO C[C@@H](c1nnc(SCc2nnn(C)n2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000572101722 651872907 /nfs/dbraw/zinc/87/29/07/651872907.db2.gz TUISRWNLPBGEEE-JTQLQIEISA-N 1 2 378.893 2.359 20 0 GEADLO Cc1csc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1I ZINC000615770652 651875656 /nfs/dbraw/zinc/87/56/56/651875656.db2.gz JCCBFLZPZPBAGI-ZJUUUORDSA-N 1 2 394.278 2.110 20 0 GEADLO Cc1csc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1I ZINC000615770652 651875661 /nfs/dbraw/zinc/87/56/61/651875661.db2.gz JCCBFLZPZPBAGI-ZJUUUORDSA-N 1 2 394.278 2.110 20 0 GEADLO CC[N@H+](CC(=O)N1CCN(c2ncns2)CC1)Cc1ccccc1Cl ZINC000615796583 651878186 /nfs/dbraw/zinc/87/81/86/651878186.db2.gz HSXDWXOYXKUZSG-UHFFFAOYSA-N 1 2 379.917 2.362 20 0 GEADLO CC[N@@H+](CC(=O)N1CCN(c2ncns2)CC1)Cc1ccccc1Cl ZINC000615796583 651878189 /nfs/dbraw/zinc/87/81/89/651878189.db2.gz HSXDWXOYXKUZSG-UHFFFAOYSA-N 1 2 379.917 2.362 20 0 GEADLO CCOc1ccncc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000572379793 651888763 /nfs/dbraw/zinc/88/87/63/651888763.db2.gz QKADKUWNBXFMIN-HNNXBMFYSA-N 1 2 381.885 2.469 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651742869 651894771 /nfs/dbraw/zinc/89/47/71/651894771.db2.gz ACOCJTCXFDBFOH-VHSXEESVSA-N 1 2 387.354 2.272 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651742869 651894776 /nfs/dbraw/zinc/89/47/76/651894776.db2.gz ACOCJTCXFDBFOH-VHSXEESVSA-N 1 2 387.354 2.272 20 0 GEADLO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000572562300 651899704 /nfs/dbraw/zinc/89/97/04/651899704.db2.gz FOQFWFFTVZQDLA-LLVKDONJSA-N 1 2 381.263 2.280 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C(C)(C)C1 ZINC000651900181 651899915 /nfs/dbraw/zinc/89/99/15/651899915.db2.gz HFKABCZTNFZTMM-UHFFFAOYSA-N 1 2 382.860 2.350 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C(C)(C)C1 ZINC000651900181 651899918 /nfs/dbraw/zinc/89/99/18/651899918.db2.gz HFKABCZTNFZTMM-UHFFFAOYSA-N 1 2 382.860 2.350 20 0 GEADLO O=C(Cc1c[nH]c2cc(Br)ccc12)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000572719458 651907857 /nfs/dbraw/zinc/90/78/57/651907857.db2.gz KYTCQRUTUCSMCC-GASCZTMLSA-N 1 2 392.297 2.452 20 0 GEADLO O=C(Cc1c[nH]c2cc(Br)ccc12)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000572719458 651907867 /nfs/dbraw/zinc/90/78/67/651907867.db2.gz KYTCQRUTUCSMCC-GASCZTMLSA-N 1 2 392.297 2.452 20 0 GEADLO C[C@](CO)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000616829129 651911510 /nfs/dbraw/zinc/91/15/10/651911510.db2.gz JVVJONDNEFDKHM-SJKOYZFVSA-N 1 2 378.270 2.232 20 0 GEADLO Cn1ncc2c1CCC[N@H+](Cc1nnnn1-c1ccccc1Br)C2 ZINC000573068469 651932285 /nfs/dbraw/zinc/93/22/85/651932285.db2.gz VKQGPXFBALSKDI-UHFFFAOYSA-N 1 2 388.273 2.107 20 0 GEADLO Cn1ncc2c1CCC[N@@H+](Cc1nnnn1-c1ccccc1Br)C2 ZINC000573068469 651932287 /nfs/dbraw/zinc/93/22/87/651932287.db2.gz VKQGPXFBALSKDI-UHFFFAOYSA-N 1 2 388.273 2.107 20 0 GEADLO CCO[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@H]1C[NH3+] ZINC000653349425 651941880 /nfs/dbraw/zinc/94/18/80/651941880.db2.gz ONIFKSAAAUFTMO-PRHODGIISA-N 1 2 377.666 2.244 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)[C@@H](C)CO1 ZINC000617720835 651966345 /nfs/dbraw/zinc/96/63/45/651966345.db2.gz IDHHJROJZOQWKB-RYUDHWBXSA-N 1 2 396.285 2.358 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)[C@@H](C)CO1 ZINC000617720835 651966349 /nfs/dbraw/zinc/96/63/49/651966349.db2.gz IDHHJROJZOQWKB-RYUDHWBXSA-N 1 2 396.285 2.358 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617724054 651967158 /nfs/dbraw/zinc/96/71/58/651967158.db2.gz VCMZXYFCJRMXSH-NWDGAFQWSA-N 1 2 395.301 2.244 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617724054 651967168 /nfs/dbraw/zinc/96/71/68/651967168.db2.gz VCMZXYFCJRMXSH-NWDGAFQWSA-N 1 2 395.301 2.244 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000617724350 651968390 /nfs/dbraw/zinc/96/83/90/651968390.db2.gz YRUHIDFKYYRDCZ-MNOVXSKESA-N 1 2 391.256 2.495 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000617724350 651968397 /nfs/dbraw/zinc/96/83/97/651968397.db2.gz YRUHIDFKYYRDCZ-MNOVXSKESA-N 1 2 391.256 2.495 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000654974542 651968861 /nfs/dbraw/zinc/96/88/61/651968861.db2.gz GZUJRCTXVOMTPE-NHYWBVRUSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000654974542 651968867 /nfs/dbraw/zinc/96/88/67/651968867.db2.gz GZUJRCTXVOMTPE-NHYWBVRUSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617733182 651969251 /nfs/dbraw/zinc/96/92/51/651969251.db2.gz OBMSQZDVTAKXFZ-BFHYXJOUSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617733182 651969256 /nfs/dbraw/zinc/96/92/56/651969256.db2.gz OBMSQZDVTAKXFZ-BFHYXJOUSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)COc2ccc(Br)cc2F)[C@@H](C)CO1 ZINC000617744124 651969804 /nfs/dbraw/zinc/96/98/04/651969804.db2.gz SPLNDHLCKZYMQH-RYUDHWBXSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)COc2ccc(Br)cc2F)[C@@H](C)CO1 ZINC000617744124 651969813 /nfs/dbraw/zinc/96/98/13/651969813.db2.gz SPLNDHLCKZYMQH-RYUDHWBXSA-N 1 2 389.265 2.192 20 0 GEADLO COc1ncc(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)c(C)c1Br ZINC000617894136 651980039 /nfs/dbraw/zinc/98/00/39/651980039.db2.gz UZUZOEILSOFHNW-CYBMUJFWSA-N 1 2 382.262 2.136 20 0 GEADLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccccc1 ZINC000742341161 651984942 /nfs/dbraw/zinc/98/49/42/651984942.db2.gz MIBXHLFGDQRBSC-ZDUSSCGKSA-N 1 2 379.873 2.069 20 0 GEADLO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000655563030 651990038 /nfs/dbraw/zinc/99/00/38/651990038.db2.gz WVMBXFGMLUGVDE-CYBMUJFWSA-N 1 2 384.299 2.388 20 0 GEADLO Brc1ccccc1-n1cc(CNCC[NH+]2CCSCC2)nn1 ZINC000574203579 652007857 /nfs/dbraw/zinc/00/78/57/652007857.db2.gz UVEVBKIEKKUBRA-UHFFFAOYSA-N 1 2 382.331 2.168 20 0 GEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1scnc1Cl ZINC000743936816 652029925 /nfs/dbraw/zinc/02/99/25/652029925.db2.gz DYUGVIJQGMBDIE-UHFFFAOYSA-N 1 2 381.885 2.438 20 0 GEADLO COC(=O)[C@@H](NC(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1)C(C)C ZINC000574945423 652053694 /nfs/dbraw/zinc/05/36/94/652053694.db2.gz HYBVOELPAJZURH-HNNXBMFYSA-N 1 2 389.265 2.334 20 0 GEADLO COC(=O)[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1)C(C)C ZINC000574945423 652053700 /nfs/dbraw/zinc/05/37/00/652053700.db2.gz HYBVOELPAJZURH-HNNXBMFYSA-N 1 2 389.265 2.334 20 0 GEADLO O=C1N[C@H](c2ccccc2Br)C(=O)N1[C@H]1CCn2cc[nH+]c2C1 ZINC000656812677 652055970 /nfs/dbraw/zinc/05/59/70/652055970.db2.gz RHOLSGCHYZAZGU-IINYFYTJSA-N 1 2 375.226 2.254 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c(Cl)c1 ZINC000575831188 652080760 /nfs/dbraw/zinc/08/07/60/652080760.db2.gz ILQYTSSJSJXESE-ABAIWWIYSA-N 1 2 385.873 2.281 20 0 GEADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746465617 652108428 /nfs/dbraw/zinc/10/84/28/652108428.db2.gz YQSDLWHJAWTTPK-OIRASMEMSA-N 1 2 392.352 2.317 20 0 GEADLO O=[S@@](CCN1CC[NH+](CCCCO)CC1)c1cc(Cl)ccc1Cl ZINC000746487947 652110692 /nfs/dbraw/zinc/11/06/92/652110692.db2.gz GPMBWLKUHZMHKL-QHCPKHFHSA-N 1 2 379.353 2.491 20 0 GEADLO CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000576447367 652118554 /nfs/dbraw/zinc/11/85/54/652118554.db2.gz YJYQBMHWUIFZID-GKVSMKOHSA-N 1 2 375.523 2.456 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc2nc(Cl)sc2c1)C[NH+]1CCOCC1 ZINC000746668491 652121108 /nfs/dbraw/zinc/12/11/08/652121108.db2.gz KERXNTFQPIRQQB-LLVKDONJSA-N 1 2 389.930 2.196 20 0 GEADLO COc1csc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000747085381 652139377 /nfs/dbraw/zinc/13/93/77/652139377.db2.gz CQBBOXCNCNFHCW-UHFFFAOYSA-N 1 2 380.491 2.319 20 0 GEADLO CCOC(=O)COCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000576741816 652141345 /nfs/dbraw/zinc/14/13/45/652141345.db2.gz LDDKQVVCQZLOAX-UHFFFAOYSA-N 1 2 391.331 2.208 20 0 GEADLO O=C1[C@@H]([NH2+]Cc2cc3n(n2)CCC3)CCN1c1cccc(Br)c1 ZINC000657451227 652164637 /nfs/dbraw/zinc/16/46/37/652164637.db2.gz LEPCHQNSEHDYOI-INIZCTEOSA-N 1 2 375.270 2.487 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c3ncccc23)CC1 ZINC000657546335 652171889 /nfs/dbraw/zinc/17/18/89/652171889.db2.gz XGHVWFAGAUKQEF-UHFFFAOYSA-N 1 2 391.269 2.100 20 0 GEADLO COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)C(=O)Cn1cc[nH+]c1 ZINC000577263991 652174085 /nfs/dbraw/zinc/17/40/85/652174085.db2.gz KAPZHVANVXMZGH-HNNXBMFYSA-N 1 2 396.241 2.027 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000748462778 652203389 /nfs/dbraw/zinc/20/33/89/652203389.db2.gz YCGBLCVMWQESHL-ABAIWWIYSA-N 1 2 389.279 2.435 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000748462778 652203405 /nfs/dbraw/zinc/20/34/05/652203405.db2.gz YCGBLCVMWQESHL-ABAIWWIYSA-N 1 2 389.279 2.435 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000623270589 652230035 /nfs/dbraw/zinc/23/00/35/652230035.db2.gz JSEFAEKSONUBGL-MFKMUULPSA-N 1 2 379.247 2.284 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000623268872 652230367 /nfs/dbraw/zinc/23/03/67/652230367.db2.gz YSGNFGIDIQKMRC-HNNXBMFYSA-N 1 2 390.281 2.435 20 0 GEADLO COc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc(OC)c1Br ZINC000623298738 652233828 /nfs/dbraw/zinc/23/38/28/652233828.db2.gz IWVOHPLMLFSGNN-NSHDSACASA-N 1 2 380.242 2.408 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(Br)c(F)c1F ZINC000623726701 652256874 /nfs/dbraw/zinc/25/68/74/652256874.db2.gz YYIFLXFLUVUKSX-SNVBAGLBSA-N 1 2 392.244 2.247 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(Br)c(F)c1F ZINC000623726701 652256885 /nfs/dbraw/zinc/25/68/85/652256885.db2.gz YYIFLXFLUVUKSX-SNVBAGLBSA-N 1 2 392.244 2.247 20 0 GEADLO C[NH+]1CCN(Cc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)CC1 ZINC000749590342 652259326 /nfs/dbraw/zinc/25/93/26/652259326.db2.gz PSTTZWJLIDFENS-UHFFFAOYSA-N 1 2 380.901 2.283 20 0 GEADLO CN1CC[NH+](Cc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)CC1 ZINC000749590342 652259337 /nfs/dbraw/zinc/25/93/37/652259337.db2.gz PSTTZWJLIDFENS-UHFFFAOYSA-N 1 2 380.901 2.283 20 0 GEADLO CN(C)S(=O)(=O)N1CC([NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000623792935 652261482 /nfs/dbraw/zinc/26/14/82/652261482.db2.gz LFADHJXRHJCMIS-UHFFFAOYSA-N 1 2 386.930 2.044 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000749968022 652276520 /nfs/dbraw/zinc/27/65/20/652276520.db2.gz DGUZPXZGBDUPAT-ZDUSSCGKSA-N 1 2 386.880 2.314 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000749968022 652276531 /nfs/dbraw/zinc/27/65/31/652276531.db2.gz DGUZPXZGBDUPAT-ZDUSSCGKSA-N 1 2 386.880 2.314 20 0 GEADLO O=S(=O)(CC[NH2+][C@@H]1CCc2cn[nH]c2C1)c1cccc(Br)c1 ZINC000579112858 652317838 /nfs/dbraw/zinc/31/78/38/652317838.db2.gz OKWVZSWDOHBQSP-CYBMUJFWSA-N 1 2 384.299 2.093 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1F)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000579129209 652319312 /nfs/dbraw/zinc/31/93/12/652319312.db2.gz INTZHKVTNLFWFL-AWEZNQCLSA-N 1 2 376.881 2.355 20 0 GEADLO Cn1c(=S)n(C[N@@H+]2CCSC3(CCCCC3)C2)nc1N1CCOCC1 ZINC000751137509 652325270 /nfs/dbraw/zinc/32/52/70/652325270.db2.gz BJDFBYQTONHUCM-UHFFFAOYSA-N 1 2 383.587 2.497 20 0 GEADLO Cn1c(=S)n(C[N@H+]2CCSC3(CCCCC3)C2)nc1N1CCOCC1 ZINC000751137509 652325273 /nfs/dbraw/zinc/32/52/73/652325273.db2.gz BJDFBYQTONHUCM-UHFFFAOYSA-N 1 2 383.587 2.497 20 0 GEADLO Cc1nc2[nH]ccc2c(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)[nH+]1 ZINC000751226182 652332775 /nfs/dbraw/zinc/33/27/75/652332775.db2.gz SRNVOYVYROCZHC-UHFFFAOYSA-N 1 2 377.392 2.240 20 0 GEADLO NC(=O)[C@H](OC(=O)CCc1ccc(N)[nH+]c1)c1cccc(Br)c1 ZINC000751441693 652350914 /nfs/dbraw/zinc/35/09/14/652350914.db2.gz GJOMMAFFCWVVHG-OAHLLOKOSA-N 1 2 378.226 2.129 20 0 GEADLO NC(=O)[C@@H](OC(=O)CCc1ccc(N)[nH+]c1)c1ccc(Br)cc1 ZINC000751459079 652353039 /nfs/dbraw/zinc/35/30/39/652353039.db2.gz RCTKJJODRKFOLO-HNNXBMFYSA-N 1 2 378.226 2.129 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccncc2Br)cn1 ZINC000579937498 652360186 /nfs/dbraw/zinc/36/01/86/652360186.db2.gz WVFAZAGTJOANCF-UHFFFAOYSA-N 1 2 389.257 2.117 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000625606670 652361021 /nfs/dbraw/zinc/36/10/21/652361021.db2.gz VBQZEIAQKZRRAV-UHFFFAOYSA-N 1 2 376.881 2.106 20 0 GEADLO O=C(CCC[NH+]1CCN(c2nccnn2)CC1)c1ccc(Br)cc1 ZINC000625643928 652364149 /nfs/dbraw/zinc/36/41/49/652364149.db2.gz ITJOCPDEFAWSES-UHFFFAOYSA-N 1 2 390.285 2.419 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCC(n3cc(Br)cn3)CC2)nc[nH+]1 ZINC000580047734 652364882 /nfs/dbraw/zinc/36/48/82/652364882.db2.gz QVKWNCDVQPHMEG-LLVKDONJSA-N 1 2 381.278 2.070 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCC(n3cc(Br)cn3)CC2)[nH+]cn1 ZINC000580047734 652364884 /nfs/dbraw/zinc/36/48/84/652364884.db2.gz QVKWNCDVQPHMEG-LLVKDONJSA-N 1 2 381.278 2.070 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccccc1Br ZINC000580177764 652369104 /nfs/dbraw/zinc/36/91/04/652369104.db2.gz MYPFSAHERXATSO-GDBMZVCRSA-N 1 2 396.329 2.496 20 0 GEADLO COC[C@@H]1CCC[N@@H+]1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000751951391 652372947 /nfs/dbraw/zinc/37/29/47/652372947.db2.gz TXSDDZACJUODAK-LBPRGKRZSA-N 1 2 385.511 2.282 20 0 GEADLO COC[C@@H]1CCC[N@H+]1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000751951391 652372952 /nfs/dbraw/zinc/37/29/52/652372952.db2.gz TXSDDZACJUODAK-LBPRGKRZSA-N 1 2 385.511 2.282 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000626026921 652380002 /nfs/dbraw/zinc/38/00/02/652380002.db2.gz DILZPGKODXBUFC-GFCCVEGCSA-N 1 2 380.794 2.124 20 0 GEADLO Cn1c[nH+]c(CCN2C(=O)[C@@H](c3cccc(Br)c3)N(C)C2=O)c1 ZINC000580541613 652382554 /nfs/dbraw/zinc/38/25/54/652382554.db2.gz OYSOMERDQPUUDH-CQSZACIVSA-N 1 2 377.242 2.360 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000752265884 652383308 /nfs/dbraw/zinc/38/33/08/652383308.db2.gz KVDPRAWTWNUFGA-UHFFFAOYSA-N 1 2 375.441 2.283 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000752265884 652383311 /nfs/dbraw/zinc/38/33/11/652383311.db2.gz KVDPRAWTWNUFGA-UHFFFAOYSA-N 1 2 375.441 2.283 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000626169208 652383521 /nfs/dbraw/zinc/38/35/21/652383521.db2.gz IBQGFLBDKLZSBK-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000626169208 652383525 /nfs/dbraw/zinc/38/35/25/652383525.db2.gz IBQGFLBDKLZSBK-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO Cn1[nH]c([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2c(Cl)cccc2Cl)nc1=N ZINC000580695789 652388967 /nfs/dbraw/zinc/38/89/67/652388967.db2.gz HVQPCXCGGQDOJV-MFKMUULPSA-N 1 2 386.283 2.111 20 0 GEADLO Cn1[nH]c([C@@H]2CCC[N@H+]2C[C@@H](O)COc2c(Cl)cccc2Cl)nc1=N ZINC000580695789 652388972 /nfs/dbraw/zinc/38/89/72/652388972.db2.gz HVQPCXCGGQDOJV-MFKMUULPSA-N 1 2 386.283 2.111 20 0 GEADLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1 ZINC000753013093 652397821 /nfs/dbraw/zinc/39/78/21/652397821.db2.gz HXCFZHBBSYMPII-UHFFFAOYSA-N 1 2 382.873 2.304 20 0 GEADLO Cc1c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)cnn1-c1ccc(Cl)cc1 ZINC000580952861 652398267 /nfs/dbraw/zinc/39/82/67/652398267.db2.gz YNUAXQLNVIMFPH-CYBMUJFWSA-N 1 2 390.843 2.062 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660515036 652405702 /nfs/dbraw/zinc/40/57/02/652405702.db2.gz SOFUSZBKDFVRFR-HNNXBMFYSA-N 1 2 398.301 2.074 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000660711078 652411510 /nfs/dbraw/zinc/41/15/10/652411510.db2.gz FPPUZLIXRWYYMF-CQSZACIVSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000660711078 652411514 /nfs/dbraw/zinc/41/15/14/652411514.db2.gz FPPUZLIXRWYYMF-CQSZACIVSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000660711070 652411527 /nfs/dbraw/zinc/41/15/27/652411527.db2.gz FPPUZLIXRWYYMF-AWEZNQCLSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000660711070 652411529 /nfs/dbraw/zinc/41/15/29/652411529.db2.gz FPPUZLIXRWYYMF-AWEZNQCLSA-N 1 2 390.311 2.437 20 0 GEADLO NC(=O)[C@]1([NH2+]Cc2cccc(OCC(F)(F)F)c2Br)CCOC1 ZINC000660926788 652414873 /nfs/dbraw/zinc/41/48/73/652414873.db2.gz SDGIGRCWDFSFCC-ZDUSSCGKSA-N 1 2 397.191 2.124 20 0 GEADLO CS(=O)(=O)[C@@H]1C[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000661190468 652423170 /nfs/dbraw/zinc/42/31/70/652423170.db2.gz DHONHAXHWUXCHM-MGPQQGTHSA-N 1 2 385.835 2.151 20 0 GEADLO CS(=O)(=O)[C@@H]1C[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000661190468 652423175 /nfs/dbraw/zinc/42/31/75/652423175.db2.gz DHONHAXHWUXCHM-MGPQQGTHSA-N 1 2 385.835 2.151 20 0 GEADLO O=C(NCCc1cccc(Br)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661303040 652426424 /nfs/dbraw/zinc/42/64/24/652426424.db2.gz GQXGOBCZTPHZRY-MRXNPFEDSA-N 1 2 382.302 2.108 20 0 GEADLO Cc1nc(NCCCc2nccs2)nc(NCCCc2nccs2)[nH+]1 ZINC000581856845 652427159 /nfs/dbraw/zinc/42/71/59/652427159.db2.gz SAEHPIQWWCYOHR-UHFFFAOYSA-N 1 2 375.527 2.026 20 0 GEADLO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661576930 652433434 /nfs/dbraw/zinc/43/34/34/652433434.db2.gz RZSSHCMBOCSPKK-PBHICJAKSA-N 1 2 396.329 2.255 20 0 GEADLO CSc1nc(NC[C@]2([NH+]3CCOCC3)CCSC2)cc(C(F)F)n1 ZINC000582073253 652434477 /nfs/dbraw/zinc/43/44/77/652434477.db2.gz YJVBOLDCXKTHSO-OAHLLOKOSA-N 1 2 376.498 2.756 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc[n+]([O-])c3)[nH+]c12 ZINC000754514597 652437809 /nfs/dbraw/zinc/43/78/09/652437809.db2.gz IUJIDYXNDMDWPT-UHFFFAOYSA-N 1 2 375.226 2.011 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)Cc1cccc(Br)c1)C2 ZINC000582202452 652440056 /nfs/dbraw/zinc/44/00/56/652440056.db2.gz KYMNJGFQPNXPLT-HNNXBMFYSA-N 1 2 392.297 2.163 20 0 GEADLO COc1cc(C(=O)NC2CC([NH+]3CCOCC3)C2)sc1Br ZINC000627936938 652443714 /nfs/dbraw/zinc/44/37/14/652443714.db2.gz DRAWUQKVXWUHQQ-UHFFFAOYSA-N 1 2 375.288 2.112 20 0 GEADLO Cc1cc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)ncc1Br ZINC000628271137 652456895 /nfs/dbraw/zinc/45/68/95/652456895.db2.gz OBZUSEGHKCWQAO-ZDUSSCGKSA-N 1 2 390.347 2.256 20 0 GEADLO Cc1cc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)ncc1Br ZINC000628271137 652456898 /nfs/dbraw/zinc/45/68/98/652456898.db2.gz OBZUSEGHKCWQAO-ZDUSSCGKSA-N 1 2 390.347 2.256 20 0 GEADLO CC1(C)C[NH+](CC(=O)N[C@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC000628682270 652468498 /nfs/dbraw/zinc/46/84/98/652468498.db2.gz NPAOTTWUBBDRCY-GOSISDBHSA-N 1 2 381.314 2.127 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2coc(S(=O)(=O)N(C)C)c2)n1 ZINC000755627992 652471002 /nfs/dbraw/zinc/47/10/02/652471002.db2.gz NVFPOWOLOXDPJS-UHFFFAOYSA-N 1 2 386.499 2.081 20 0 GEADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000629168685 652480200 /nfs/dbraw/zinc/48/02/00/652480200.db2.gz LYQAAAWPROOYLV-LBPRGKRZSA-N 1 2 399.925 2.308 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755951019 652481901 /nfs/dbraw/zinc/48/19/01/652481901.db2.gz ZIRMBQXTKYFNSV-YYUOZPCZSA-N 1 2 392.352 2.317 20 0 GEADLO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000583455839 652485652 /nfs/dbraw/zinc/48/56/52/652485652.db2.gz XRZAVJOACALLSX-WMLDXEAASA-N 1 2 396.329 2.255 20 0 GEADLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000583455838 652485719 /nfs/dbraw/zinc/48/57/19/652485719.db2.gz XRZAVJOACALLSX-RHSMWYFYSA-N 1 2 396.329 2.255 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CCc3cn[nH]c3)[nH+]c12 ZINC000629979152 652500600 /nfs/dbraw/zinc/50/06/00/652500600.db2.gz DAYAJKIEPUHIJH-UHFFFAOYSA-N 1 2 376.258 2.420 20 0 GEADLO Cc1c(NCC[C@H](O)C(F)(F)F)nc[nH+]c1NCC[C@H](O)C(F)(F)F ZINC000663591561 652504934 /nfs/dbraw/zinc/50/49/34/652504934.db2.gz CWXVXHJDLBXJSF-IUCAKERBSA-N 1 2 376.301 2.235 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1)c1ccsc1 ZINC000663622234 652507049 /nfs/dbraw/zinc/50/70/49/652507049.db2.gz XSHYXIUFGXRNCB-VNQPRFMTSA-N 1 2 387.571 2.396 20 0 GEADLO C[N@H+](CCOc1ccc(Br)cc1)CN1C[C@@]2(CCOC2)CC1=O ZINC000756846554 652507186 /nfs/dbraw/zinc/50/71/86/652507186.db2.gz ICOBNJXCPPLJNA-QGZVFWFLSA-N 1 2 383.286 2.356 20 0 GEADLO C[N@@H+](CCOc1ccc(Br)cc1)CN1C[C@@]2(CCOC2)CC1=O ZINC000756846554 652507189 /nfs/dbraw/zinc/50/71/89/652507189.db2.gz ICOBNJXCPPLJNA-QGZVFWFLSA-N 1 2 383.286 2.356 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000663638383 652507280 /nfs/dbraw/zinc/50/72/80/652507280.db2.gz NKQYCOFQLBHMHT-DOMZBBRYSA-N 1 2 390.311 2.389 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000757491730 652517378 /nfs/dbraw/zinc/51/73/78/652517378.db2.gz OWXUDDPOCJQVJP-GFCCVEGCSA-N 1 2 383.857 2.349 20 0 GEADLO COc1c(C)[nH+]c(C2CC2)nc1NCCn1cc(Br)ccc1=O ZINC000584361081 652518390 /nfs/dbraw/zinc/51/83/90/652518390.db2.gz BAUHFNXQNSYHOL-UHFFFAOYSA-N 1 2 379.258 2.707 20 0 GEADLO Cc1cc(N[C@@H]2CCS(=O)(=O)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631037880 652518870 /nfs/dbraw/zinc/51/88/70/652518870.db2.gz JIMJXZPWNTWGSP-CYBMUJFWSA-N 1 2 382.283 2.235 20 0 GEADLO COc1ccc(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)cc1Br ZINC000631058765 652519551 /nfs/dbraw/zinc/51/95/51/652519551.db2.gz FTYSWCCLGAQSPL-ZDUSSCGKSA-N 1 2 381.274 2.376 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000584675207 652525106 /nfs/dbraw/zinc/52/51/06/652525106.db2.gz FRDHVUXWJKXFAF-UHFFFAOYSA-N 1 2 375.230 2.046 20 0 GEADLO C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CS1(=O)=O ZINC000664292969 652525848 /nfs/dbraw/zinc/52/58/48/652525848.db2.gz RUDJAXBSFDOWJV-WQVCFCJDSA-N 1 2 387.933 2.208 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000631587500 652527958 /nfs/dbraw/zinc/52/79/58/652527958.db2.gz UKUJXNRUEZPGIG-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO CN(CCO)c1ccc(NCc2ncc(I)s2)[nH+]c1 ZINC000586757871 652539837 /nfs/dbraw/zinc/53/98/37/652539837.db2.gz MYMHZRJMCSMSEZ-UHFFFAOYSA-N 1 2 390.250 2.183 20 0 GEADLO O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000631936320 652542171 /nfs/dbraw/zinc/54/21/71/652542171.db2.gz ZCRSZCGXCKFQPB-LLVKDONJSA-N 1 2 394.806 2.417 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000586832379 652542975 /nfs/dbraw/zinc/54/29/75/652542975.db2.gz FRFWLPDUKOCECY-GFCCVEGCSA-N 1 2 382.511 2.168 20 0 GEADLO O=C(COc1ccc(Br)cn1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000632078725 652549919 /nfs/dbraw/zinc/54/99/19/652549919.db2.gz BJMDLNMMZITNKN-ZDUSSCGKSA-N 1 2 377.242 2.013 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000588278355 652551412 /nfs/dbraw/zinc/55/14/12/652551412.db2.gz XDTKIHDVKDSAFN-DAXOMENPSA-N 1 2 382.302 2.325 20 0 GEADLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cscc1Br ZINC000632138283 652552750 /nfs/dbraw/zinc/55/27/50/652552750.db2.gz SUPYOUAMTNJFIU-SNVBAGLBSA-N 1 2 388.312 2.463 20 0 GEADLO CSC1(C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CC1 ZINC000589157829 652561088 /nfs/dbraw/zinc/56/10/88/652561088.db2.gz VVLZDWOSRJXUBU-UHFFFAOYSA-N 1 2 380.457 2.306 20 0 GEADLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(F)c(S(C)(=O)=O)c3)cc2[nH+]1 ZINC000759148104 652564930 /nfs/dbraw/zinc/56/49/30/652564930.db2.gz OEQQXKCLTZEFTR-UHFFFAOYSA-N 1 2 383.426 2.215 20 0 GEADLO CC(C)[N@@H+](C/C(Cl)=C/Cl)C[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000759279421 652567971 /nfs/dbraw/zinc/56/79/71/652567971.db2.gz SFAWSLYQGUHWHM-CKNOQMABSA-N 1 2 375.296 2.484 20 0 GEADLO CC(C)[N@H+](C/C(Cl)=C/Cl)C[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000759279421 652567973 /nfs/dbraw/zinc/56/79/73/652567973.db2.gz SFAWSLYQGUHWHM-CKNOQMABSA-N 1 2 375.296 2.484 20 0 GEADLO O=S(=O)(Cc1cccc(F)c1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632681099 652574657 /nfs/dbraw/zinc/57/46/57/652574657.db2.gz JRCMTPSGJIUMLU-UHFFFAOYSA-N 1 2 381.498 2.394 20 0 GEADLO O=C(Nc1cnc2c(Br)cccn12)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000667098107 652591820 /nfs/dbraw/zinc/59/18/20/652591820.db2.gz MRYYJBTWGGRGEG-LBPRGKRZSA-N 1 2 394.273 2.035 20 0 GEADLO Cn1ncc(Br)c1CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000633427749 652596450 /nfs/dbraw/zinc/59/64/50/652596450.db2.gz QQTBLQDXRIVWNU-UHFFFAOYSA-N 1 2 398.330 2.272 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000592532044 652598992 /nfs/dbraw/zinc/59/89/92/652598992.db2.gz MBTVCFQTBWEEPV-GHMZBOCLSA-N 1 2 394.212 2.406 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000592532044 652598997 /nfs/dbraw/zinc/59/89/97/652598997.db2.gz MBTVCFQTBWEEPV-GHMZBOCLSA-N 1 2 394.212 2.406 20 0 GEADLO COCCC[N@H+](Cc1cncc(Br)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000667486374 652607723 /nfs/dbraw/zinc/60/77/23/652607723.db2.gz UDZVWDUSQUXIDF-AWEZNQCLSA-N 1 2 391.331 2.178 20 0 GEADLO COCCC[N@@H+](Cc1cncc(Br)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000667486374 652607729 /nfs/dbraw/zinc/60/77/29/652607729.db2.gz UDZVWDUSQUXIDF-AWEZNQCLSA-N 1 2 391.331 2.178 20 0 GEADLO CN(C1CCOCC1)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760429773 652609071 /nfs/dbraw/zinc/60/90/71/652609071.db2.gz GMIGWWDSAVMBNC-DLBZAZTESA-N 1 2 387.933 2.030 20 0 GEADLO CN(C1CCOCC1)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760429773 652609072 /nfs/dbraw/zinc/60/90/72/652609072.db2.gz GMIGWWDSAVMBNC-DLBZAZTESA-N 1 2 387.933 2.030 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760431251 652609313 /nfs/dbraw/zinc/60/93/13/652609313.db2.gz WHAOCYMAIOVQEB-TZMCWYRMSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760431251 652609315 /nfs/dbraw/zinc/60/93/15/652609315.db2.gz WHAOCYMAIOVQEB-TZMCWYRMSA-N 1 2 389.308 2.451 20 0 GEADLO COCCCNC(=O)C1CC[NH+](Cc2c(F)cncc2Br)CC1 ZINC000667541305 652611891 /nfs/dbraw/zinc/61/18/91/652611891.db2.gz LPSCMACXLGUICT-UHFFFAOYSA-N 1 2 388.281 2.348 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633767265 652612543 /nfs/dbraw/zinc/61/25/43/652612543.db2.gz UNCZOIKVCHYOJE-RISCZKNCSA-N 1 2 380.432 2.105 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1C1CC1 ZINC000593131050 652615069 /nfs/dbraw/zinc/61/50/69/652615069.db2.gz SAMKHOHNZQGPNM-ZNMIVQPWSA-N 1 2 381.270 2.107 20 0 GEADLO COC(=O)[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1C1CC1 ZINC000593131050 652615073 /nfs/dbraw/zinc/61/50/73/652615073.db2.gz SAMKHOHNZQGPNM-ZNMIVQPWSA-N 1 2 381.270 2.107 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c(Br)c1 ZINC000667816515 652620402 /nfs/dbraw/zinc/62/04/02/652620402.db2.gz VIRDVJFDMQDNGF-ZDUSSCGKSA-N 1 2 385.302 2.227 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@H+]2CCO[C@@H](C)C2)c(Br)c1 ZINC000667816515 652620405 /nfs/dbraw/zinc/62/04/05/652620405.db2.gz VIRDVJFDMQDNGF-ZDUSSCGKSA-N 1 2 385.302 2.227 20 0 GEADLO COCc1nc(C)c(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000634302952 652636712 /nfs/dbraw/zinc/63/67/12/652636712.db2.gz ABHYBNGFSNHWKQ-UHFFFAOYSA-N 1 2 378.523 2.476 20 0 GEADLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)N(C)CC(F)(F)F ZINC000634303971 652637226 /nfs/dbraw/zinc/63/72/26/652637226.db2.gz PAAVYFWQIRAKLL-GFCCVEGCSA-N 1 2 376.448 2.134 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000668569697 652648193 /nfs/dbraw/zinc/64/81/93/652648193.db2.gz FXDUHYVTTULFBK-SWLSCSKDSA-N 1 2 391.269 2.124 20 0 GEADLO C[C@@H](CNC(=O)Cc1c(Cl)cccc1Br)[NH+]1CCN(C)CC1 ZINC000668696210 652660759 /nfs/dbraw/zinc/66/07/59/652660759.db2.gz ZBUSPICDYNTJSF-LBPRGKRZSA-N 1 2 388.737 2.397 20 0 GEADLO CCc1nn(C)cc1CNc1[nH]c2ccc(I)cc2[nH+]1 ZINC000595000794 652701867 /nfs/dbraw/zinc/70/18/67/652701867.db2.gz OZXYSMGZDHBIFF-UHFFFAOYSA-N 1 2 381.221 2.497 20 0 GEADLO CCc1nn(C)cc1CNc1[nH]c2cc(I)ccc2[nH+]1 ZINC000595000794 652701874 /nfs/dbraw/zinc/70/18/74/652701874.db2.gz OZXYSMGZDHBIFF-UHFFFAOYSA-N 1 2 381.221 2.497 20 0 GEADLO CCCCNC(=O)[C@@H]1CSCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459366 652730816 /nfs/dbraw/zinc/73/08/16/652730816.db2.gz AXTQBXGXRVFAOP-RYUDHWBXSA-N 1 2 378.420 2.194 20 0 GEADLO CC(C)(C)OC(=O)CNC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595830960 652737488 /nfs/dbraw/zinc/73/74/88/652737488.db2.gz YDKNDDPMTSYFGI-GFCCVEGCSA-N 1 2 377.268 2.074 20 0 GEADLO Cn1cc(Br)cc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1=O ZINC000635659877 652746696 /nfs/dbraw/zinc/74/66/96/652746696.db2.gz IZXMEQMOHVFFND-JTQLQIEISA-N 1 2 393.163 2.477 20 0 GEADLO CN(CCn1cc(Br)cn1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635937429 652767673 /nfs/dbraw/zinc/76/76/73/652767673.db2.gz GTFYHRSNHJLVSM-LLVKDONJSA-N 1 2 394.195 2.494 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc(I)c1OC ZINC000597211667 652775726 /nfs/dbraw/zinc/77/57/26/652775726.db2.gz NLQHIWLDWVLTQB-XHDPSFHLSA-N 1 2 389.233 2.265 20 0 GEADLO COc1cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc(I)c1OC ZINC000597211667 652775735 /nfs/dbraw/zinc/77/57/35/652775735.db2.gz NLQHIWLDWVLTQB-XHDPSFHLSA-N 1 2 389.233 2.265 20 0 GEADLO Cc1cn2cc(NC(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)ccc2[nH+]1 ZINC000764094716 652784672 /nfs/dbraw/zinc/78/46/72/652784672.db2.gz DBJSOORKTZMBHV-UHFFFAOYSA-N 1 2 382.804 2.335 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000636557872 652808376 /nfs/dbraw/zinc/80/83/76/652808376.db2.gz DFBUEHMNFOUOTA-LRDDRELGSA-N 1 2 390.311 2.437 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000764919446 652815255 /nfs/dbraw/zinc/81/52/55/652815255.db2.gz GCJGKDPDCQGPBU-GXTWGEPZSA-N 1 2 399.333 2.344 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000764919446 652815259 /nfs/dbraw/zinc/81/52/59/652815259.db2.gz GCJGKDPDCQGPBU-GXTWGEPZSA-N 1 2 399.333 2.344 20 0 GEADLO COc1cc(Br)c(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1OC ZINC000636709237 652817975 /nfs/dbraw/zinc/81/79/75/652817975.db2.gz QEUDIXGAPQWYPW-LLVKDONJSA-N 1 2 395.257 2.087 20 0 GEADLO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672148552 652828315 /nfs/dbraw/zinc/82/83/15/652828315.db2.gz RBDAYUYGQUYGKG-IAQYHMDHSA-N 1 2 376.869 2.471 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000637124385 652840672 /nfs/dbraw/zinc/84/06/72/652840672.db2.gz QVXHUNDTFHKVPL-ISVAXAHUSA-N 1 2 381.205 2.142 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=S)NC2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000765522197 652842603 /nfs/dbraw/zinc/84/26/03/652842603.db2.gz ZPEZBFKDVUTNMV-IAGOWNOFSA-N 1 2 383.945 2.355 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@H](NC(=S)NC2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000765522197 652842607 /nfs/dbraw/zinc/84/26/07/652842607.db2.gz ZPEZBFKDVUTNMV-IAGOWNOFSA-N 1 2 383.945 2.355 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=S)NC2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000765522204 652842682 /nfs/dbraw/zinc/84/26/82/652842682.db2.gz ZPEZBFKDVUTNMV-SJORKVTESA-N 1 2 383.945 2.355 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=S)NC2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000765522204 652842683 /nfs/dbraw/zinc/84/26/83/652842683.db2.gz ZPEZBFKDVUTNMV-SJORKVTESA-N 1 2 383.945 2.355 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=S)NC[C@@H]2CCOC2)c2ccc(Cl)cc2)C1 ZINC000765519971 652842748 /nfs/dbraw/zinc/84/27/48/652842748.db2.gz JRFSLZBYLPTOOV-JQFCIGGWSA-N 1 2 383.945 2.212 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](NC(=S)NC[C@@H]2CCOC2)c2ccc(Cl)cc2)C1 ZINC000765519971 652842750 /nfs/dbraw/zinc/84/27/50/652842750.db2.gz JRFSLZBYLPTOOV-JQFCIGGWSA-N 1 2 383.945 2.212 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)cc1O ZINC000673296778 652859848 /nfs/dbraw/zinc/85/98/48/652859848.db2.gz KZXQPHNFOLRJOE-SWLSCSKDSA-N 1 2 383.286 2.019 20 0 GEADLO C[C@H]1CCN(C(=O)NCc2c(Br)cnn2C)C[C@H]1n1cc[nH+]c1 ZINC000637632821 652867369 /nfs/dbraw/zinc/86/73/69/652867369.db2.gz QPTXINBVMVHUSX-SMDDNHRTSA-N 1 2 381.278 2.172 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000637650518 652868980 /nfs/dbraw/zinc/86/89/80/652868980.db2.gz MSRBODBNGQKVTE-GVDBMIGSSA-N 1 2 394.313 2.061 20 0 GEADLO C[C@H](C(=O)Nc1ccc(I)cc1)N1CCc2[nH+]c[nH]c2C1 ZINC000599425008 652870478 /nfs/dbraw/zinc/87/04/78/652870478.db2.gz ZBSXOVVYVQEGJS-SNVBAGLBSA-N 1 2 396.232 2.400 20 0 GEADLO COC(=O)c1ccc(CN2CC[NH+](Cc3cn[nH]c3)CC2)c(Br)c1 ZINC000599439192 652871850 /nfs/dbraw/zinc/87/18/50/652871850.db2.gz KBEFXWAZGVJBIH-UHFFFAOYSA-N 1 2 393.285 2.277 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000637868785 652876171 /nfs/dbraw/zinc/87/61/71/652876171.db2.gz DSBDVWJHSLSKRB-CYBMUJFWSA-N 1 2 376.881 2.355 20 0 GEADLO COc1ccc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)o2)cc1OC(F)F ZINC000637902866 652877058 /nfs/dbraw/zinc/87/70/58/652877058.db2.gz YBMYDMUQVJUTLY-UHFFFAOYSA-N 1 2 376.381 2.169 20 0 GEADLO COc1ccc(C[N@@H+](C)Cc2ccc(S(N)(=O)=O)o2)cc1OC(F)F ZINC000637902866 652877060 /nfs/dbraw/zinc/87/70/60/652877060.db2.gz YBMYDMUQVJUTLY-UHFFFAOYSA-N 1 2 376.381 2.169 20 0 GEADLO COc1nsc(C[NH2+]CCS(=O)(=O)c2ccccc2)c1Br ZINC000638405542 652888486 /nfs/dbraw/zinc/88/84/86/652888486.db2.gz BNVWILLETALIEM-UHFFFAOYSA-N 1 2 391.312 2.478 20 0 GEADLO COc1nsc(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1Br ZINC000638415255 652888694 /nfs/dbraw/zinc/88/86/94/652888694.db2.gz GEWBIWVKVSFIMI-JTQLQIEISA-N 1 2 387.303 2.270 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674428028 652897862 /nfs/dbraw/zinc/89/78/62/652897862.db2.gz VWYJCVLMDGABEB-GMTAPVOTSA-N 1 2 377.329 2.089 20 0 GEADLO O=C1[C@H]([NH2+]Cc2nc3cc(Br)ccc3o2)CCN1C1CCOCC1 ZINC000638722384 652904173 /nfs/dbraw/zinc/90/41/73/652904173.db2.gz PSFLFCQQSVALMS-CYBMUJFWSA-N 1 2 394.269 2.460 20 0 GEADLO CCOc1cc(C[N@@H+]2CC[C@](OC)(C(=O)OC)C2)cc(Br)c1O ZINC000600193003 652907622 /nfs/dbraw/zinc/90/76/22/652907622.db2.gz SAOOVHDUYAQNMR-MRXNPFEDSA-N 1 2 388.258 2.317 20 0 GEADLO CCOc1cc(C[N@H+]2CC[C@](OC)(C(=O)OC)C2)cc(Br)c1O ZINC000600193003 652907630 /nfs/dbraw/zinc/90/76/30/652907630.db2.gz SAOOVHDUYAQNMR-MRXNPFEDSA-N 1 2 388.258 2.317 20 0 GEADLO CC[C@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCO1 ZINC000639135102 652922079 /nfs/dbraw/zinc/92/20/79/652922079.db2.gz FYWHSYZRJLUJGO-LBPRGKRZSA-N 1 2 377.304 2.097 20 0 GEADLO CC[C@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCO1 ZINC000639135102 652922082 /nfs/dbraw/zinc/92/20/82/652922082.db2.gz FYWHSYZRJLUJGO-LBPRGKRZSA-N 1 2 377.304 2.097 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)s1 ZINC000639180636 652925456 /nfs/dbraw/zinc/92/54/56/652925456.db2.gz ONILADRCEJFWBV-QWHCGFSZSA-N 1 2 384.548 2.396 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)s1 ZINC000639180636 652925477 /nfs/dbraw/zinc/92/54/77/652925477.db2.gz ONILADRCEJFWBV-QWHCGFSZSA-N 1 2 384.548 2.396 20 0 GEADLO COc1cc(S(=O)(=O)Nc2cc(C)nn2-c2cc[nH+]cc2)cnc1Cl ZINC000767696300 652943256 /nfs/dbraw/zinc/94/32/56/652943256.db2.gz OROSXOIDLHEPPA-UHFFFAOYSA-N 1 2 379.829 2.434 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@H](c1nccn1C)C(C)(C)CO ZINC000639774620 652954747 /nfs/dbraw/zinc/95/47/47/652954747.db2.gz WCAWGKTUQYZULS-OAHLLOKOSA-N 1 2 384.933 2.443 20 0 GEADLO FC(F)(F)Cn1ccnc1C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639776823 652955439 /nfs/dbraw/zinc/95/54/39/652955439.db2.gz SIRPWDOVZXQWIO-AWEZNQCLSA-N 1 2 378.464 2.085 20 0 GEADLO FC(F)(F)Cn1ccnc1C[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639776823 652955446 /nfs/dbraw/zinc/95/54/46/652955446.db2.gz SIRPWDOVZXQWIO-AWEZNQCLSA-N 1 2 378.464 2.085 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639818785 652956997 /nfs/dbraw/zinc/95/69/97/652956997.db2.gz SVAOJCGSGHBROO-GJZGRUSLSA-N 1 2 378.274 2.294 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639818785 652957002 /nfs/dbraw/zinc/95/70/02/652957002.db2.gz SVAOJCGSGHBROO-GJZGRUSLSA-N 1 2 378.274 2.294 20 0 GEADLO O[C@@H](C[N@@H+]1CCc2ccc(F)c(Br)c2C1)CC1(O)CCOCC1 ZINC000639891014 653087608 /nfs/dbraw/zinc/08/76/08/653087608.db2.gz VXSDHEIZNYMMTP-CYBMUJFWSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@@H](C[N@H+]1CCc2ccc(F)c(Br)c2C1)CC1(O)CCOCC1 ZINC000639891014 653087611 /nfs/dbraw/zinc/08/76/11/653087611.db2.gz VXSDHEIZNYMMTP-CYBMUJFWSA-N 1 2 388.277 2.239 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767919046 653095785 /nfs/dbraw/zinc/09/57/85/653095785.db2.gz ORSJOUZFSDXHEP-VIFPVBQESA-N 1 2 377.670 2.340 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767919046 653095786 /nfs/dbraw/zinc/09/57/86/653095786.db2.gz ORSJOUZFSDXHEP-VIFPVBQESA-N 1 2 377.670 2.340 20 0 GEADLO Cn1cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc(Br)c1=O ZINC000676445120 653096411 /nfs/dbraw/zinc/09/64/11/653096411.db2.gz UIJKLFHHJLJFLK-LBPRGKRZSA-N 1 2 380.246 2.213 20 0 GEADLO CS(=O)(=O)N1CCN(c2ccc(NCc3cscc3Cl)c[nH+]2)CC1 ZINC000676494637 653098488 /nfs/dbraw/zinc/09/84/88/653098488.db2.gz BFNFZUOJCAQAGB-UHFFFAOYSA-N 1 2 386.930 2.490 20 0 GEADLO CC(C)N(CCS(C)(=O)=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000768086430 653100861 /nfs/dbraw/zinc/10/08/61/653100861.db2.gz HCDOVLFMMCFINF-INIZCTEOSA-N 1 2 389.949 2.407 20 0 GEADLO Cc1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)c(N(C)C)[nH+]1 ZINC000771435710 653112007 /nfs/dbraw/zinc/11/20/07/653112007.db2.gz FEAZOQQSCSIQMA-UHFFFAOYSA-N 1 2 381.230 2.180 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000676989655 653118523 /nfs/dbraw/zinc/11/85/23/653118523.db2.gz PPJRTGXLEOHPOZ-MNOVXSKESA-N 1 2 387.267 2.436 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000676989655 653118528 /nfs/dbraw/zinc/11/85/28/653118528.db2.gz PPJRTGXLEOHPOZ-MNOVXSKESA-N 1 2 387.267 2.436 20 0 GEADLO CCOCC[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000771637008 653122294 /nfs/dbraw/zinc/12/22/94/653122294.db2.gz TUFRYNKGSYXAFI-AWEZNQCLSA-N 1 2 390.303 2.203 20 0 GEADLO CCOCC[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000771637008 653122299 /nfs/dbraw/zinc/12/22/99/653122299.db2.gz TUFRYNKGSYXAFI-AWEZNQCLSA-N 1 2 390.303 2.203 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(Br)cc1 ZINC000602087631 653146307 /nfs/dbraw/zinc/14/63/07/653146307.db2.gz YWKJKHLVIUESIA-BZPMIXESSA-N 1 2 378.226 2.306 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC000602087631 653146308 /nfs/dbraw/zinc/14/63/08/653146308.db2.gz YWKJKHLVIUESIA-BZPMIXESSA-N 1 2 378.226 2.306 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)COc1ccc(C=O)cc1Br ZINC000769308513 653147822 /nfs/dbraw/zinc/14/78/22/653147822.db2.gz WXVPHHYIDYNJFE-UHFFFAOYSA-N 1 2 380.242 2.386 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000769407134 653153554 /nfs/dbraw/zinc/15/35/54/653153554.db2.gz YOSVRVKDPVRZIJ-UHFFFAOYSA-N 1 2 382.917 2.359 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000769407134 653153557 /nfs/dbraw/zinc/15/35/57/653153557.db2.gz YOSVRVKDPVRZIJ-UHFFFAOYSA-N 1 2 382.917 2.359 20 0 GEADLO C[N@H+](CCO)Cc1cn(Cc2ncc(-c3cccc(Br)c3)o2)nn1 ZINC000641073703 653154801 /nfs/dbraw/zinc/15/48/01/653154801.db2.gz XLWXFXWIVLCYDY-UHFFFAOYSA-N 1 2 392.257 2.168 20 0 GEADLO C[N@@H+](CCO)Cc1cn(Cc2ncc(-c3cccc(Br)c3)o2)nn1 ZINC000641073703 653154804 /nfs/dbraw/zinc/15/48/04/653154804.db2.gz XLWXFXWIVLCYDY-UHFFFAOYSA-N 1 2 392.257 2.168 20 0 GEADLO COc1cc(C[NH2+]Cc2cn(C)nn2)cc(Br)c1OC(F)F ZINC000679932408 653159127 /nfs/dbraw/zinc/15/91/27/653159127.db2.gz DEZYOFAQMNWYHV-UHFFFAOYSA-N 1 2 377.189 2.477 20 0 GEADLO CCOc1cccc(CN2CC[NH+](CC[S@](C)=O)CC2)c1OC(F)F ZINC000769481262 653159226 /nfs/dbraw/zinc/15/92/26/653159226.db2.gz UDYCOFFADBTZIN-VWLOTQADSA-N 1 2 376.469 2.183 20 0 GEADLO OC[C@@H]1CCC[N@@H+]1Cc1cn(Cc2nc3ccc(Br)cc3o2)nn1 ZINC000641129791 653160339 /nfs/dbraw/zinc/16/03/39/653160339.db2.gz FUHYMEYDEJZMPW-ZDUSSCGKSA-N 1 2 392.257 2.187 20 0 GEADLO OC[C@@H]1CCC[N@H+]1Cc1cn(Cc2nc3ccc(Br)cc3o2)nn1 ZINC000641129791 653160346 /nfs/dbraw/zinc/16/03/46/653160346.db2.gz FUHYMEYDEJZMPW-ZDUSSCGKSA-N 1 2 392.257 2.187 20 0 GEADLO C[C@H](CCSc1ccccc1)n1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000641140165 653161838 /nfs/dbraw/zinc/16/18/38/653161838.db2.gz LITKSMCPKBASRY-CABCVRRESA-N 1 2 380.539 2.298 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000769542052 653162235 /nfs/dbraw/zinc/16/22/35/653162235.db2.gz YZXJAMMGSVGVHL-CQSZACIVSA-N 1 2 387.933 2.207 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000769542052 653162242 /nfs/dbraw/zinc/16/22/42/653162242.db2.gz YZXJAMMGSVGVHL-CQSZACIVSA-N 1 2 387.933 2.207 20 0 GEADLO C[N@H+](CCO)Cc1cn(Cc2ccc(Br)c3cccnc23)nn1 ZINC000641157155 653163807 /nfs/dbraw/zinc/16/38/07/653163807.db2.gz MNCBSLKSELBGQS-UHFFFAOYSA-N 1 2 376.258 2.061 20 0 GEADLO C[N@@H+](CCO)Cc1cn(Cc2ccc(Br)c3cccnc23)nn1 ZINC000641157155 653163815 /nfs/dbraw/zinc/16/38/15/653163815.db2.gz MNCBSLKSELBGQS-UHFFFAOYSA-N 1 2 376.258 2.061 20 0 GEADLO Cc1cc(Br)cn2cc(CCNc3cncc(-n4cncn4)n3)[nH+]c12 ZINC000680377284 653165655 /nfs/dbraw/zinc/16/56/55/653165655.db2.gz IWRWESHAZOJUDA-UHFFFAOYSA-N 1 2 399.256 2.431 20 0 GEADLO COCC[N@H+](C)Cc1cn(C[C@H](O)COc2cc(Cl)cc(Cl)c2)nn1 ZINC000641220342 653170738 /nfs/dbraw/zinc/17/07/38/653170738.db2.gz NOKVGTKIQOKIED-HNNXBMFYSA-N 1 2 389.283 2.103 20 0 GEADLO COCC[N@@H+](C)Cc1cn(C[C@H](O)COc2cc(Cl)cc(Cl)c2)nn1 ZINC000641220342 653170744 /nfs/dbraw/zinc/17/07/44/653170744.db2.gz NOKVGTKIQOKIED-HNNXBMFYSA-N 1 2 389.283 2.103 20 0 GEADLO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cnn(C)n3)C2=O)ccc1Br ZINC000806619779 653170664 /nfs/dbraw/zinc/17/06/64/653170664.db2.gz WJPNHKKTKXSJDH-OAHLLOKOSA-N 1 2 378.274 2.171 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2cc(F)c(F)cc2Br)CCO1 ZINC000806666737 653172403 /nfs/dbraw/zinc/17/24/03/653172403.db2.gz YAZJBMYOVKESPI-JTQLQIEISA-N 1 2 392.244 2.247 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2cc(F)c(F)cc2Br)CCO1 ZINC000806666737 653172407 /nfs/dbraw/zinc/17/24/07/653172407.db2.gz YAZJBMYOVKESPI-JTQLQIEISA-N 1 2 392.244 2.247 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCc3ccc(Br)cc3C2)CCO1 ZINC000806665327 653172577 /nfs/dbraw/zinc/17/25/77/653172577.db2.gz MRCRSVOIEHRMBL-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCc3ccc(Br)cc3C2)CCO1 ZINC000806665327 653172583 /nfs/dbraw/zinc/17/25/83/653172583.db2.gz MRCRSVOIEHRMBL-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641254828 653172766 /nfs/dbraw/zinc/17/27/66/653172766.db2.gz WWLUTKBQZZTFBQ-UHFFFAOYSA-N 1 2 391.280 2.090 20 0 GEADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1nccn2c(Br)cnc12 ZINC000769732440 653173554 /nfs/dbraw/zinc/17/35/54/653173554.db2.gz OTFHSULGCMVYSY-UHFFFAOYSA-N 1 2 386.253 2.237 20 0 GEADLO Cc1cc(N2CCC[C@H]([NH2+]Cc3ncnn3C)C2=O)ccc1Br ZINC000680951689 653175185 /nfs/dbraw/zinc/17/51/85/653175185.db2.gz WGVOTFXIVASRNI-AWEZNQCLSA-N 1 2 378.274 2.171 20 0 GEADLO C[C@@H](NC(=S)NCc1ccc(OC(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000769797678 653177819 /nfs/dbraw/zinc/17/78/19/653177819.db2.gz YRJKWUWNQYQWNP-BXUZGUMPSA-N 1 2 377.432 2.268 20 0 GEADLO C[C@@H](NC(=S)NCc1ccc(OC(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000769797678 653177832 /nfs/dbraw/zinc/17/78/32/653177832.db2.gz YRJKWUWNQYQWNP-BXUZGUMPSA-N 1 2 377.432 2.268 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000641291742 653180129 /nfs/dbraw/zinc/18/01/29/653180129.db2.gz CYLUVYZIVCXSRH-CYBMUJFWSA-N 1 2 386.271 2.089 20 0 GEADLO COC(=O)[C@@H]1C[N@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)C[C@H]1C ZINC000773308570 653192283 /nfs/dbraw/zinc/19/22/83/653192283.db2.gz HHJYDJIUWHNRPA-RKDXNWHRSA-N 1 2 387.205 2.195 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)C[C@H]1C ZINC000773308570 653192285 /nfs/dbraw/zinc/19/22/85/653192285.db2.gz HHJYDJIUWHNRPA-RKDXNWHRSA-N 1 2 387.205 2.195 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@@H](c3cccs3)C2)C1 ZINC000641380627 653195472 /nfs/dbraw/zinc/19/54/72/653195472.db2.gz TWIMSTMSTTWWSW-MRXNPFEDSA-N 1 2 378.519 2.498 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@@H](c3cccs3)C2)C1 ZINC000641380627 653195488 /nfs/dbraw/zinc/19/54/88/653195488.db2.gz TWIMSTMSTTWWSW-MRXNPFEDSA-N 1 2 378.519 2.498 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)c1Br ZINC000681933852 653199611 /nfs/dbraw/zinc/19/96/11/653199611.db2.gz YFEZXKYKSUOOBZ-CYBMUJFWSA-N 1 2 399.333 2.478 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)c1Br ZINC000681933852 653199614 /nfs/dbraw/zinc/19/96/14/653199614.db2.gz YFEZXKYKSUOOBZ-CYBMUJFWSA-N 1 2 399.333 2.478 20 0 GEADLO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1ncn(C)n1 ZINC000682033385 653204180 /nfs/dbraw/zinc/20/41/80/653204180.db2.gz FRCVJQRMTYWMQW-MWLCHTKSSA-N 1 2 389.681 2.322 20 0 GEADLO CCC(CC)[C@H](CNc1cnn(C)c(=O)c1Br)[NH+]1CCOCC1 ZINC000602846803 653209398 /nfs/dbraw/zinc/20/93/98/653209398.db2.gz ZSDHUBGEBBKDRM-AWEZNQCLSA-N 1 2 387.322 2.092 20 0 GEADLO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1cccc2[nH+]ccn21 ZINC000770415352 653211652 /nfs/dbraw/zinc/21/16/52/653211652.db2.gz IQZWUJVGCABFRY-UHFFFAOYSA-N 1 2 388.225 2.203 20 0 GEADLO C[N@H+](CCN1CCCC1=O)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000602886407 653212518 /nfs/dbraw/zinc/21/25/18/653212518.db2.gz ACQHCFQRDNZFBX-UHFFFAOYSA-N 1 2 375.803 2.434 20 0 GEADLO C[N@@H+](CCN1CCCC1=O)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000602886407 653212520 /nfs/dbraw/zinc/21/25/20/653212520.db2.gz ACQHCFQRDNZFBX-UHFFFAOYSA-N 1 2 375.803 2.434 20 0 GEADLO C[C@@H]1CO[C@H](C(F)(F)F)CN1S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641489276 653212778 /nfs/dbraw/zinc/21/27/78/653212778.db2.gz MVFWONZPKYSJRI-ABAIWWIYSA-N 1 2 378.416 2.015 20 0 GEADLO C[C@@H]1CO[C@H](C(F)(F)F)CN1S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641489276 653212785 /nfs/dbraw/zinc/21/27/85/653212785.db2.gz MVFWONZPKYSJRI-ABAIWWIYSA-N 1 2 378.416 2.015 20 0 GEADLO O=C(c1cccnc1I)N1CCN(c2cccc[nH+]2)CC1 ZINC000770466777 653213832 /nfs/dbraw/zinc/21/38/32/653213832.db2.gz PQZWLUAVWFNFOZ-UHFFFAOYSA-N 1 2 394.216 2.044 20 0 GEADLO C[C@H](CNC(=O)Cc1ccc(Br)c(Cl)c1)[NH+]1CCN(C)CC1 ZINC000682498288 653215771 /nfs/dbraw/zinc/21/57/71/653215771.db2.gz APALNCWSQBYCKF-GFCCVEGCSA-N 1 2 388.737 2.397 20 0 GEADLO C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)c1ccc(F)c(Br)c1 ZINC000641512649 653216253 /nfs/dbraw/zinc/21/62/53/653216253.db2.gz KSURSVBFNWRBKP-JTQLQIEISA-N 1 2 376.251 2.465 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(Cl)cc1Cl ZINC000770715711 653222301 /nfs/dbraw/zinc/22/23/01/653222301.db2.gz BOOJXEKSLKPKLK-VHSXEESVSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(Cl)cc1Cl ZINC000770715711 653222304 /nfs/dbraw/zinc/22/23/04/653222304.db2.gz BOOJXEKSLKPKLK-VHSXEESVSA-N 1 2 395.308 2.493 20 0 GEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000770722516 653222705 /nfs/dbraw/zinc/22/27/05/653222705.db2.gz GIQFGWBPFUMMIA-IUCAKERBSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000770722516 653222706 /nfs/dbraw/zinc/22/27/06/653222706.db2.gz GIQFGWBPFUMMIA-IUCAKERBSA-N 1 2 382.711 2.211 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cn2nc(Cl)c3ccccc32)C1)C1CC1 ZINC000808225903 653223238 /nfs/dbraw/zinc/22/32/38/653223238.db2.gz BAKJYMASAHDHBH-ZDUSSCGKSA-N 1 2 382.917 2.441 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cn2nc(Cl)c3ccccc32)C1)C1CC1 ZINC000808225903 653223241 /nfs/dbraw/zinc/22/32/41/653223241.db2.gz BAKJYMASAHDHBH-ZDUSSCGKSA-N 1 2 382.917 2.441 20 0 GEADLO C[C@@H]1OCCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)[C@@H]1C(F)(F)F ZINC000641619889 653224413 /nfs/dbraw/zinc/22/44/13/653224413.db2.gz MBFGRSXJGJOSEQ-NHYWBVRUSA-N 1 2 378.416 2.015 20 0 GEADLO C[C@@H]1OCCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)[C@@H]1C(F)(F)F ZINC000641619889 653224415 /nfs/dbraw/zinc/22/44/15/653224415.db2.gz MBFGRSXJGJOSEQ-NHYWBVRUSA-N 1 2 378.416 2.015 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccnc(C(F)(F)F)c1 ZINC000808385582 653228997 /nfs/dbraw/zinc/22/89/97/653228997.db2.gz PMFILBDYYJKHRP-HNNXBMFYSA-N 1 2 375.416 2.038 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000774301370 653233530 /nfs/dbraw/zinc/23/35/30/653233530.db2.gz GPTGYLBVUXUZSD-GFCCVEGCSA-N 1 2 392.257 2.151 20 0 GEADLO Cc1nc(CS(=O)(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cs1 ZINC000684104786 653259280 /nfs/dbraw/zinc/25/92/80/653259280.db2.gz SFTLELPQWXPQKF-UHFFFAOYSA-N 1 2 387.571 2.154 20 0 GEADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(Br)n2)CC1 ZINC000809347565 653263933 /nfs/dbraw/zinc/26/39/33/653263933.db2.gz WTXVZDNUNDYQPK-CQSZACIVSA-N 1 2 381.318 2.367 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)C[C@H]1CCCC(F)(F)C1)[NH+]1CCN(C)CC1 ZINC000685296976 653302391 /nfs/dbraw/zinc/30/23/91/653302391.db2.gz XLANOYNAMSOZOF-JKSUJKDBSA-N 1 2 381.533 2.003 20 0 GEADLO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000810090567 653323901 /nfs/dbraw/zinc/32/39/01/653323901.db2.gz SFAUKZDYKYTGQJ-UHFFFAOYSA-N 1 2 378.841 2.298 20 0 GEADLO CC[NH+](CC)CCN(C(=O)c1cccc(Cl)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000775786852 653329315 /nfs/dbraw/zinc/32/93/15/653329315.db2.gz XXNHGTGDQARBBK-ZDUSSCGKSA-N 1 2 388.917 2.017 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)CC1(Br)Br ZINC000874709400 653333807 /nfs/dbraw/zinc/33/38/07/653333807.db2.gz CGVBSLXSNAICLD-JQWIXIFHSA-N 1 2 398.139 2.110 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)CC1(Br)Br ZINC000874709400 653333810 /nfs/dbraw/zinc/33/38/10/653333810.db2.gz CGVBSLXSNAICLD-JQWIXIFHSA-N 1 2 398.139 2.110 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)c3c(Br)nnn3C)CC2)s1 ZINC000810425470 653339330 /nfs/dbraw/zinc/33/93/30/653339330.db2.gz OVHOLFJWUHRVBH-UHFFFAOYSA-N 1 2 398.330 2.160 20 0 GEADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1c(Br)nnn1C)c1ccccc1 ZINC000810452818 653340334 /nfs/dbraw/zinc/34/03/34/653340334.db2.gz WQLZYRMYZHTPDB-GFCCVEGCSA-N 1 2 389.257 2.025 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2c3cc[nH+]cc3C[C@H]2C)cc1 ZINC000857899562 653342850 /nfs/dbraw/zinc/34/28/50/653342850.db2.gz JFFZAOFIPOXSCZ-CYBMUJFWSA-N 1 2 380.491 2.405 20 0 GEADLO O=C(/C=C/c1ccc(I)o1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857965788 653344865 /nfs/dbraw/zinc/34/48/65/653344865.db2.gz QMGZCBYEOTXSBI-XCRNYIDWSA-N 1 2 383.189 2.225 20 0 GEADLO Cc1c(C(=O)N[C@@H]2CCn3c[nH+]cc32)nnn1-c1cccc(Br)c1 ZINC000857984630 653346042 /nfs/dbraw/zinc/34/60/42/653346042.db2.gz CLJFKJYWHJTMSB-CYBMUJFWSA-N 1 2 387.241 2.410 20 0 GEADLO O=C(CCS(=O)(=O)c1cccc(Br)c1)N[C@H]1CCn2c[nH+]cc21 ZINC000857978373 653346234 /nfs/dbraw/zinc/34/62/34/653346234.db2.gz MZLQWAODJWQLEQ-ZDUSSCGKSA-N 1 2 398.282 2.071 20 0 GEADLO CC(=O)N[C@H](CC(=O)N[C@H]1CCn2c[nH+]cc21)c1ccc(Br)cc1 ZINC000857992006 653346784 /nfs/dbraw/zinc/34/67/84/653346784.db2.gz RCXINUFXPMPOAK-LSDHHAIUSA-N 1 2 391.269 2.474 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000857990182 653346843 /nfs/dbraw/zinc/34/68/43/653346843.db2.gz SSQJTKARCMUHDF-WCQYABFASA-N 1 2 389.253 2.260 20 0 GEADLO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ncc(Br)cc1F)C(F)(F)F ZINC000858135400 653349400 /nfs/dbraw/zinc/34/94/00/653349400.db2.gz TZWVQHYGIZJUFL-LBPRGKRZSA-N 1 2 397.170 2.256 20 0 GEADLO Cn1cc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c(Br)n1 ZINC000858161003 653351559 /nfs/dbraw/zinc/35/15/59/653351559.db2.gz XYAUJISFQQWADO-CQSZACIVSA-N 1 2 381.249 2.212 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CCO1 ZINC000875196046 653357600 /nfs/dbraw/zinc/35/76/00/653357600.db2.gz WFNCSBUYLVTENZ-IPALMDDQSA-N 1 2 394.313 2.107 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CCO1 ZINC000875196046 653357603 /nfs/dbraw/zinc/35/76/03/653357603.db2.gz WFNCSBUYLVTENZ-IPALMDDQSA-N 1 2 394.313 2.107 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000859116651 653408296 /nfs/dbraw/zinc/40/82/96/653408296.db2.gz LRMZCIWCAVXBJZ-SNVBAGLBSA-N 1 2 384.845 2.008 20 0 GEADLO O=S(=O)(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(Br)nc1F ZINC000859135332 653411616 /nfs/dbraw/zinc/41/16/16/653411616.db2.gz SBOILRVGSCIGCQ-NSHDSACASA-N 1 2 392.294 2.278 20 0 GEADLO O=S(=O)(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(Br)nc1F ZINC000859135332 653411629 /nfs/dbraw/zinc/41/16/29/653411629.db2.gz SBOILRVGSCIGCQ-NSHDSACASA-N 1 2 392.294 2.278 20 0 GEADLO CC[N@H+](Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S)[C@H]1CCOC1 ZINC000812295020 653420197 /nfs/dbraw/zinc/42/01/97/653420197.db2.gz CVEYQLKDJZGBCI-LBPRGKRZSA-N 1 2 385.511 2.282 20 0 GEADLO CC[N@@H+](Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S)[C@H]1CCOC1 ZINC000812295020 653420210 /nfs/dbraw/zinc/42/02/10/653420210.db2.gz CVEYQLKDJZGBCI-LBPRGKRZSA-N 1 2 385.511 2.282 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)c2c(Br)nc3n2CCCC3)CC1 ZINC000837445339 653438500 /nfs/dbraw/zinc/43/85/00/653438500.db2.gz AKMOOQWSMZWZHL-UHFFFAOYSA-N 1 2 399.333 2.165 20 0 GEADLO COC(=O)c1cc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)n(C)c1C ZINC000812758456 653442105 /nfs/dbraw/zinc/44/21/05/653442105.db2.gz BTJZUJYOIAJYRY-OAHLLOKOSA-N 1 2 394.269 2.199 20 0 GEADLO CC(C)[NH+]1CC(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C1 ZINC000837543793 653448540 /nfs/dbraw/zinc/44/85/40/653448540.db2.gz DITBNONJPKKGNK-UHFFFAOYSA-N 1 2 387.933 2.239 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2c(Br)nc3n2CCCC3)C[C@H](C)O1 ZINC000837584710 653451723 /nfs/dbraw/zinc/45/17/23/653451723.db2.gz NLKJFEXYHLXICI-BETUJISGSA-N 1 2 399.333 2.163 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2c(Br)nc3n2CCCC3)C[C@H](C)O1 ZINC000837584710 653451728 /nfs/dbraw/zinc/45/17/28/653451728.db2.gz NLKJFEXYHLXICI-BETUJISGSA-N 1 2 399.333 2.163 20 0 GEADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)CC[C@@H]1C(F)(F)F ZINC000859602952 653476934 /nfs/dbraw/zinc/47/69/34/653476934.db2.gz JEAPCUBGOJQBOD-NEPJUHHUSA-N 1 2 388.452 2.056 20 0 GEADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@@H]1C(F)(F)F ZINC000859602952 653476939 /nfs/dbraw/zinc/47/69/39/653476939.db2.gz JEAPCUBGOJQBOD-NEPJUHHUSA-N 1 2 388.452 2.056 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1Br ZINC000877352898 653478138 /nfs/dbraw/zinc/47/81/38/653478138.db2.gz LUCPZCRKTAIOCY-CYBMUJFWSA-N 1 2 396.285 2.272 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1Br ZINC000877352898 653478143 /nfs/dbraw/zinc/47/81/43/653478143.db2.gz LUCPZCRKTAIOCY-CYBMUJFWSA-N 1 2 396.285 2.272 20 0 GEADLO COC(=O)c1ccc(C[NH2+][C@@H](C)c2nnnn2C2CC2)cc1Br ZINC000877472961 653523715 /nfs/dbraw/zinc/52/37/15/653523715.db2.gz BSUGIQYDAPSHOI-VIFPVBQESA-N 1 2 380.246 2.408 20 0 GEADLO C[NH+]1CCN(c2ccc(N[C@H]3CCCNC(=O)C3)cc2Br)CC1 ZINC000877468000 653523806 /nfs/dbraw/zinc/52/38/06/653523806.db2.gz VVXCAIFRVJMEPQ-ZDUSSCGKSA-N 1 2 381.318 2.282 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000877515463 653609478 /nfs/dbraw/zinc/60/94/78/653609478.db2.gz FTHZATYAZXHOET-UHFFFAOYSA-N 1 2 384.395 2.486 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NC/C=C\c2ccc(Br)cc2)CCO1 ZINC000838116513 653609667 /nfs/dbraw/zinc/60/96/67/653609667.db2.gz VMSUSPGJVKOWNF-SFAKSCPVSA-N 1 2 382.302 2.482 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NC/C=C\c2ccc(Br)cc2)CCO1 ZINC000838116513 653609671 /nfs/dbraw/zinc/60/96/71/653609671.db2.gz VMSUSPGJVKOWNF-SFAKSCPVSA-N 1 2 382.302 2.482 20 0 GEADLO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000859944398 653612817 /nfs/dbraw/zinc/61/28/17/653612817.db2.gz VWMFJHGLGVTCKP-DLBZAZTESA-N 1 2 399.329 2.094 20 0 GEADLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ccc(I)s2)C1 ZINC000877624749 653614536 /nfs/dbraw/zinc/61/45/36/653614536.db2.gz DPWBRVRVPGCBQN-SECBINFHSA-N 1 2 378.235 2.379 20 0 GEADLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2ccc(I)s2)C1 ZINC000877624749 653614540 /nfs/dbraw/zinc/61/45/40/653614540.db2.gz DPWBRVRVPGCBQN-SECBINFHSA-N 1 2 378.235 2.379 20 0 GEADLO CO[C@H]1C[C@@H]2C[N@H+](Cc3cn(C)nc3Br)Cc3cccnc3N2C1 ZINC000877690077 653616744 /nfs/dbraw/zinc/61/67/44/653616744.db2.gz DIJKHDABORVOKP-CABCVRRESA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3cn(C)nc3Br)Cc3cccnc3N2C1 ZINC000877690077 653616746 /nfs/dbraw/zinc/61/67/46/653616746.db2.gz DIJKHDABORVOKP-CABCVRRESA-N 1 2 392.301 2.187 20 0 GEADLO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc(OC)cc3Br)C2)C1 ZINC000877712262 653617538 /nfs/dbraw/zinc/61/75/38/653617538.db2.gz HQUHSTCOWGFHLQ-MRXNPFEDSA-N 1 2 383.242 2.352 20 0 GEADLO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccc(OC)cc3Br)C2)C1 ZINC000877712262 653617539 /nfs/dbraw/zinc/61/75/39/653617539.db2.gz HQUHSTCOWGFHLQ-MRXNPFEDSA-N 1 2 383.242 2.352 20 0 GEADLO COC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)o1)c1cccc(Br)c1 ZINC000877759228 653618464 /nfs/dbraw/zinc/61/84/64/653618464.db2.gz ZDPMIDILAAWRGS-ZDUSSCGKSA-N 1 2 389.271 2.167 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC[C@H]4CS(=O)(=O)C[C@H]4C3)c[nH+]c12 ZINC000877790731 653620467 /nfs/dbraw/zinc/62/04/67/653620467.db2.gz GNFHZQQSXBPEKQ-QWHCGFSZSA-N 1 2 398.326 2.272 20 0 GEADLO O=S1(=O)C[C@H]2C[N@H+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@@H]2C1 ZINC000877790655 653620480 /nfs/dbraw/zinc/62/04/80/653620480.db2.gz NZRLYYIFXHXDCQ-HUUCEWRRSA-N 1 2 384.929 2.043 20 0 GEADLO O=S1(=O)C[C@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@@H]2C1 ZINC000877790655 653620483 /nfs/dbraw/zinc/62/04/83/653620483.db2.gz NZRLYYIFXHXDCQ-HUUCEWRRSA-N 1 2 384.929 2.043 20 0 GEADLO O=C(NCCSCc1ccnc(Cl)c1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838550053 653625210 /nfs/dbraw/zinc/62/52/10/653625210.db2.gz SYDAIRDXAUMBHI-GASCZTMLSA-N 1 2 384.933 2.131 20 0 GEADLO O=C(NCCSCc1ccnc(Cl)c1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838550053 653625213 /nfs/dbraw/zinc/62/52/13/653625213.db2.gz SYDAIRDXAUMBHI-GASCZTMLSA-N 1 2 384.933 2.131 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C[C@H]2C[C@@H](OC)C2)CC1 ZINC000878197659 653631264 /nfs/dbraw/zinc/63/12/64/653631264.db2.gz JOWALTRQHXMTNN-OTVXOJSOSA-N 1 2 388.917 2.080 20 0 GEADLO CN(C)[S@](C)(=O)=NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000878245273 653632623 /nfs/dbraw/zinc/63/26/23/653632623.db2.gz ZMPWFUSXYKGKPA-JOCHJYFZSA-N 1 2 390.347 2.461 20 0 GEADLO CCOC(=O)c1ncc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)s1 ZINC000878550055 653640748 /nfs/dbraw/zinc/64/07/48/653640748.db2.gz ORTPPMBCUQXUIL-UHFFFAOYSA-N 1 2 379.404 2.210 20 0 GEADLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878614416 653642696 /nfs/dbraw/zinc/64/26/96/653642696.db2.gz MMDQNKMHRZRDLD-VXGBXAGGSA-N 1 2 390.278 2.460 20 0 GEADLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878614416 653642698 /nfs/dbraw/zinc/64/26/98/653642698.db2.gz MMDQNKMHRZRDLD-VXGBXAGGSA-N 1 2 390.278 2.460 20 0 GEADLO C[N@H+](C[C@H](O)c1cc(Br)no1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000878630459 653643315 /nfs/dbraw/zinc/64/33/15/653643315.db2.gz BGSNVPNKHHMSAQ-JTQLQIEISA-N 1 2 376.251 2.022 20 0 GEADLO C[N@@H+](C[C@H](O)c1cc(Br)no1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000878630459 653643317 /nfs/dbraw/zinc/64/33/17/653643317.db2.gz BGSNVPNKHHMSAQ-JTQLQIEISA-N 1 2 376.251 2.022 20 0 GEADLO Brc1ccnc2c1C[N@H+](Cc1cn(C[C@H]3CCOC3)nn1)CC2 ZINC000878767840 653647015 /nfs/dbraw/zinc/64/70/15/653647015.db2.gz PJLVEADAJFQSGJ-GFCCVEGCSA-N 1 2 378.274 2.030 20 0 GEADLO Brc1ccnc2c1C[N@@H+](Cc1cn(C[C@H]3CCOC3)nn1)CC2 ZINC000878767840 653647021 /nfs/dbraw/zinc/64/70/21/653647021.db2.gz PJLVEADAJFQSGJ-GFCCVEGCSA-N 1 2 378.274 2.030 20 0 GEADLO CCCS(=O)(=O)CC[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000878875874 653650421 /nfs/dbraw/zinc/65/04/21/653650421.db2.gz OBTUVYLGHAQGNX-ZDUSSCGKSA-N 1 2 377.304 2.122 20 0 GEADLO CCCS(=O)(=O)CC[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000878875874 653650423 /nfs/dbraw/zinc/65/04/23/653650423.db2.gz OBTUVYLGHAQGNX-ZDUSSCGKSA-N 1 2 377.304 2.122 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)CCN1CCO ZINC000815096901 653651730 /nfs/dbraw/zinc/65/17/30/653651730.db2.gz XEQYWHKJFYNXAC-MLGOLLRUSA-N 1 2 391.737 2.308 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)CCN1CCO ZINC000815096901 653651735 /nfs/dbraw/zinc/65/17/35/653651735.db2.gz XEQYWHKJFYNXAC-MLGOLLRUSA-N 1 2 391.737 2.308 20 0 GEADLO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000861341282 653655021 /nfs/dbraw/zinc/65/50/21/653655021.db2.gz OTQULDMDQSWHRF-MLGOLLRUSA-N 1 2 375.874 2.010 20 0 GEADLO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000861341282 653655025 /nfs/dbraw/zinc/65/50/25/653655025.db2.gz OTQULDMDQSWHRF-MLGOLLRUSA-N 1 2 375.874 2.010 20 0 GEADLO S=c1sc(N2CCOCC2)nn1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000782286493 653658663 /nfs/dbraw/zinc/65/86/63/653658663.db2.gz BCLYVLDFZPNPAT-OAHLLOKOSA-N 1 2 377.539 2.428 20 0 GEADLO S=c1sc(N2CCOCC2)nn1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000782286493 653658666 /nfs/dbraw/zinc/65/86/66/653658666.db2.gz BCLYVLDFZPNPAT-OAHLLOKOSA-N 1 2 377.539 2.428 20 0 GEADLO CO[C@H]1C[C@H]2C[N@H+](Cc3nn(C)cc3Br)Cc3cccnc3N2C1 ZINC000879268468 653664236 /nfs/dbraw/zinc/66/42/36/653664236.db2.gz JBSGBRCFDAHIGR-KBPBESRZSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@H]1C[C@H]2C[N@@H+](Cc3nn(C)cc3Br)Cc3cccnc3N2C1 ZINC000879268468 653664241 /nfs/dbraw/zinc/66/42/41/653664241.db2.gz JBSGBRCFDAHIGR-KBPBESRZSA-N 1 2 392.301 2.187 20 0 GEADLO O=c1n(C[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)nc2cnccn21 ZINC000840082716 653673548 /nfs/dbraw/zinc/67/35/48/653673548.db2.gz GFKSWGYZHNQZFY-CQSZACIVSA-N 1 2 388.269 2.176 20 0 GEADLO O=c1n(C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)nc2cnccn21 ZINC000840082716 653673549 /nfs/dbraw/zinc/67/35/49/653673549.db2.gz GFKSWGYZHNQZFY-CQSZACIVSA-N 1 2 388.269 2.176 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)OCCCn1cc[nH+]c1 ZINC000783082184 653674341 /nfs/dbraw/zinc/67/43/41/653674341.db2.gz DHRZWRMCJUSIIG-SNVBAGLBSA-N 1 2 386.271 2.459 20 0 GEADLO CN(CC(=O)OCCCn1cc[nH+]c1)C(=O)c1ccc(Br)s1 ZINC000783078849 653674354 /nfs/dbraw/zinc/67/43/54/653674354.db2.gz ASLPILVSVQKDMR-UHFFFAOYSA-N 1 2 386.271 2.413 20 0 GEADLO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000862250648 653682011 /nfs/dbraw/zinc/68/20/11/653682011.db2.gz SDVCEYWZJQEBCF-CYBMUJFWSA-N 1 2 382.473 2.140 20 0 GEADLO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000862250648 653682012 /nfs/dbraw/zinc/68/20/12/653682012.db2.gz SDVCEYWZJQEBCF-CYBMUJFWSA-N 1 2 382.473 2.140 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000862550363 653688443 /nfs/dbraw/zinc/68/84/43/653688443.db2.gz DRYVBWIHMOERFV-NSHDSACASA-N 1 2 391.324 2.402 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000862550363 653688445 /nfs/dbraw/zinc/68/84/45/653688445.db2.gz DRYVBWIHMOERFV-NSHDSACASA-N 1 2 391.324 2.402 20 0 GEADLO O=S1(=O)C[C@H]2CC[N@@H+](CCc3cc(Cl)c4c(c3)OCCCO4)C[C@H]2C1 ZINC000879938872 653689162 /nfs/dbraw/zinc/68/91/62/653689162.db2.gz GBJRKVZAWDOCSW-CABCVRRESA-N 1 2 385.913 2.410 20 0 GEADLO O=S1(=O)C[C@H]2CC[N@H+](CCc3cc(Cl)c4c(c3)OCCCO4)C[C@H]2C1 ZINC000879938872 653689163 /nfs/dbraw/zinc/68/91/63/653689163.db2.gz GBJRKVZAWDOCSW-CABCVRRESA-N 1 2 385.913 2.410 20 0 GEADLO Cc1nc(Cl)c(Cl)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000862643307 653690547 /nfs/dbraw/zinc/69/05/47/653690547.db2.gz PFNXEUQQXDUKKO-KRWDZBQOSA-N 1 2 388.295 2.042 20 0 GEADLO Cc1nc(Cl)c(Cl)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000862643307 653690552 /nfs/dbraw/zinc/69/05/52/653690552.db2.gz PFNXEUQQXDUKKO-KRWDZBQOSA-N 1 2 388.295 2.042 20 0 GEADLO O=C1C[C@H]([NH+]2CCC(c3ccccc3Br)CC2)C(=O)N1CCCO ZINC000840742011 653692475 /nfs/dbraw/zinc/69/24/75/653692475.db2.gz QUMSKAPXOQJREL-INIZCTEOSA-N 1 2 395.297 2.138 20 0 GEADLO O=C(OCCCn1cc[nH+]c1)c1ccc(Br)cc1-n1cncn1 ZINC000784408116 653693412 /nfs/dbraw/zinc/69/34/12/653693412.db2.gz VFYAGIBGCKMRBT-UHFFFAOYSA-N 1 2 376.214 2.473 20 0 GEADLO CCOC(=O)c1sc([C@H]2CC[N@H+](CC3(CS(C)(=O)=O)CC3)C2)nc1C ZINC000880324293 653703657 /nfs/dbraw/zinc/70/36/57/653703657.db2.gz GMRUOPRFTPOTEP-ZDUSSCGKSA-N 1 2 386.539 2.242 20 0 GEADLO CCOC(=O)c1sc([C@H]2CC[N@@H+](CC3(CS(C)(=O)=O)CC3)C2)nc1C ZINC000880324293 653703658 /nfs/dbraw/zinc/70/36/58/653703658.db2.gz GMRUOPRFTPOTEP-ZDUSSCGKSA-N 1 2 386.539 2.242 20 0 GEADLO COC(=O)c1ccc(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000785566394 653712479 /nfs/dbraw/zinc/71/24/79/653712479.db2.gz OKAVNBWUAAWEOF-LLVKDONJSA-N 1 2 395.257 2.320 20 0 GEADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C(F)(F)c1ccccc1Br ZINC000841457710 653717923 /nfs/dbraw/zinc/71/79/23/653717923.db2.gz VTUIHSYPNPOVIT-RYUDHWBXSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C(F)(F)c1ccccc1Br ZINC000841457710 653717929 /nfs/dbraw/zinc/71/79/29/653717929.db2.gz VTUIHSYPNPOVIT-RYUDHWBXSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881269217 653723437 /nfs/dbraw/zinc/72/34/37/653723437.db2.gz OPKCBXXAGQNZPZ-SECBINFHSA-N 1 2 394.229 2.187 20 0 GEADLO O=S(=O)(c1cccc2scnc21)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000841517336 653725289 /nfs/dbraw/zinc/72/52/89/653725289.db2.gz PTSQZGPUDDSDJN-AWEZNQCLSA-N 1 2 381.523 2.029 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@H+](CC)C[C@@H]2C)c(F)cc1Cl ZINC000841522177 653726438 /nfs/dbraw/zinc/72/64/38/653726438.db2.gz YCIXPCNCANFJJT-NSHDSACASA-N 1 2 392.880 2.371 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](CC)C[C@@H]2C)c(F)cc1Cl ZINC000841522177 653726440 /nfs/dbraw/zinc/72/64/40/653726440.db2.gz YCIXPCNCANFJJT-NSHDSACASA-N 1 2 392.880 2.371 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCCc2cn(C)c[nH+]2)c(Cl)cc1Cl ZINC000841537248 653729533 /nfs/dbraw/zinc/72/95/33/653729533.db2.gz SAXAUHQFUIOWDM-UHFFFAOYSA-N 1 2 392.264 2.035 20 0 GEADLO CC(=O)N[C@H](C(=O)NCCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000864413548 653735298 /nfs/dbraw/zinc/73/52/98/653735298.db2.gz PKWGENZMZRBMCX-HNNXBMFYSA-N 1 2 379.258 2.029 20 0 GEADLO COc1cc(I)ccc1C(=O)NCCCn1cc[nH+]c1 ZINC000864413224 653735317 /nfs/dbraw/zinc/73/53/17/653735317.db2.gz DNRJAXGTBZETHQ-UHFFFAOYSA-N 1 2 385.205 2.316 20 0 GEADLO Cn1nc(Br)cc1C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000787173274 653735315 /nfs/dbraw/zinc/73/53/15/653735315.db2.gz DIBCIBVBPHKFAF-UHFFFAOYSA-N 1 2 377.286 2.202 20 0 GEADLO Cc1cc(I)ccc1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864411627 653735371 /nfs/dbraw/zinc/73/53/71/653735371.db2.gz BBHKRYREKPARSN-IHWYPQMZSA-N 1 2 386.233 2.427 20 0 GEADLO Cc1nonc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787534265 653739596 /nfs/dbraw/zinc/73/95/96/653739596.db2.gz WSJUBIMBCQSMLM-UHFFFAOYSA-N 1 2 380.246 2.145 20 0 GEADLO CCC(=O)N[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787532021 653739692 /nfs/dbraw/zinc/73/96/92/653739692.db2.gz DYKZIZXMOWFVDZ-LBPRGKRZSA-N 1 2 397.317 2.054 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000819022001 653741025 /nfs/dbraw/zinc/74/10/25/653741025.db2.gz YWNKRQRWKKBGTM-UHFFFAOYSA-N 1 2 376.544 2.287 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)C[C@@H](C)O1 ZINC000881812230 653741109 /nfs/dbraw/zinc/74/11/09/653741109.db2.gz YRZFLLWYRUXSKG-TUVASFSCSA-N 1 2 399.384 2.474 20 0 GEADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000787667051 653741775 /nfs/dbraw/zinc/74/17/75/653741775.db2.gz CABAVEBEIZBMFX-UHFFFAOYSA-N 1 2 392.301 2.116 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C/c2ccc(Br)o2)CC1 ZINC000864840040 653746613 /nfs/dbraw/zinc/74/66/13/653746613.db2.gz MLQXJLDIFVMGQQ-ACCUITESSA-N 1 2 398.301 2.116 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C/c2ccc(Br)o2)CC1 ZINC000864840040 653746615 /nfs/dbraw/zinc/74/66/15/653746615.db2.gz MLQXJLDIFVMGQQ-ACCUITESSA-N 1 2 398.301 2.116 20 0 GEADLO C[Si](C)(C)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000788020857 653747732 /nfs/dbraw/zinc/74/77/32/653747732.db2.gz JFRMNBVWJGDWFA-MSOLQXFVSA-N 1 2 381.614 2.400 20 0 GEADLO C[Si](C)(C)c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000788020857 653747735 /nfs/dbraw/zinc/74/77/35/653747735.db2.gz JFRMNBVWJGDWFA-MSOLQXFVSA-N 1 2 381.614 2.400 20 0 GEADLO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000865009823 653751220 /nfs/dbraw/zinc/75/12/20/653751220.db2.gz HMXQQNQWAXCBFK-UHFFFAOYSA-N 1 2 375.238 2.088 20 0 GEADLO COCC[N@H+]1CCCN(C(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000865009823 653751221 /nfs/dbraw/zinc/75/12/21/653751221.db2.gz HMXQQNQWAXCBFK-UHFFFAOYSA-N 1 2 375.238 2.088 20 0 GEADLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc(Br)[nH]n3)c2)CC1 ZINC000788285965 653753731 /nfs/dbraw/zinc/75/37/31/653753731.db2.gz BOJUVVQDTJGUSN-UHFFFAOYSA-N 1 2 378.274 2.172 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000882030178 653758313 /nfs/dbraw/zinc/75/83/13/653758313.db2.gz RMTXISHPYWUAQC-VYDXJSESSA-N 1 2 384.592 2.332 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000882030178 653758316 /nfs/dbraw/zinc/75/83/16/653758316.db2.gz RMTXISHPYWUAQC-VYDXJSESSA-N 1 2 384.592 2.332 20 0 GEADLO COC[C@@H](c1cccc(Br)c1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000865334972 653760992 /nfs/dbraw/zinc/76/09/92/653760992.db2.gz VVOZVFNWPWKYML-KBPBESRZSA-N 1 2 393.241 2.023 20 0 GEADLO COC[C@@H](c1cccc(Br)c1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000865334972 653760994 /nfs/dbraw/zinc/76/09/94/653760994.db2.gz VVOZVFNWPWKYML-KBPBESRZSA-N 1 2 393.241 2.023 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000842640693 653761486 /nfs/dbraw/zinc/76/14/86/653761486.db2.gz BAPHHSFDBKXMRK-AWEZNQCLSA-N 1 2 377.750 2.206 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000842640693 653761488 /nfs/dbraw/zinc/76/14/88/653761488.db2.gz BAPHHSFDBKXMRK-AWEZNQCLSA-N 1 2 377.750 2.206 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1Cl ZINC000788649634 653761971 /nfs/dbraw/zinc/76/19/71/653761971.db2.gz LFLIUYMUWKSTOD-WCBMZHEXSA-N 1 2 392.930 2.400 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1Cl ZINC000788649634 653761972 /nfs/dbraw/zinc/76/19/72/653761972.db2.gz LFLIUYMUWKSTOD-WCBMZHEXSA-N 1 2 392.930 2.400 20 0 GEADLO O=C(C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)Nc1cc(Cl)ccc1Cl ZINC000865400374 653764399 /nfs/dbraw/zinc/76/43/99/653764399.db2.gz ATGVTPFLQSUOHZ-ZDUSSCGKSA-N 1 2 384.267 2.492 20 0 GEADLO CNS(=O)(=O)c1cccc(C[NH2+]Cc2nccc(C)c2Br)c1 ZINC000865426414 653764869 /nfs/dbraw/zinc/76/48/69/653764869.db2.gz OEGDVNPXTYJDSB-UHFFFAOYSA-N 1 2 384.299 2.350 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000882137647 653765275 /nfs/dbraw/zinc/76/52/75/653765275.db2.gz QPCYCRMGVVRULL-MYYSRTQBSA-N 1 2 387.527 2.210 20 0 GEADLO COCC[C@@H](C[NH2+]Cc1nn(C)cc1Br)NC(=O)OC(C)(C)C ZINC000865587762 653769173 /nfs/dbraw/zinc/76/91/73/653769173.db2.gz SWFBWLCDEZKZAD-NSHDSACASA-N 1 2 391.310 2.202 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000842840680 653770194 /nfs/dbraw/zinc/77/01/94/653770194.db2.gz FXDVAEMOWJYACE-LBPRGKRZSA-N 1 2 375.281 2.062 20 0 GEADLO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000842865045 653771023 /nfs/dbraw/zinc/77/10/23/653771023.db2.gz RWGMWMWXOVJYFR-LLVKDONJSA-N 1 2 391.827 2.124 20 0 GEADLO C[C@@H]1CN=C(N2CCN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)CC2)S1 ZINC000820283747 653771074 /nfs/dbraw/zinc/77/10/74/653771074.db2.gz NGBPJCCJALZLFU-NEPJUHHUSA-N 1 2 375.420 2.012 20 0 GEADLO COC(=O)C1(S(=O)(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCC1 ZINC000882226318 653771140 /nfs/dbraw/zinc/77/11/40/653771140.db2.gz YELAICFRWHCXKT-UHFFFAOYSA-N 1 2 383.857 2.041 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)/C=C\c2ccccc2Br)C1 ZINC000842881140 653771743 /nfs/dbraw/zinc/77/17/43/653771743.db2.gz JCUZTEWKPQAULX-DEBLGDTFSA-N 1 2 377.279 2.383 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)COc1ccc(F)c(Cl)c1 ZINC000842963294 653774774 /nfs/dbraw/zinc/77/47/74/653774774.db2.gz KPOXJFVKOBLZBG-JSGCOSHPSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)COc1ccc(F)c(Cl)c1 ZINC000842963294 653774776 /nfs/dbraw/zinc/77/47/76/653774776.db2.gz KPOXJFVKOBLZBG-JSGCOSHPSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cc(Br)ccc1F ZINC000842960909 653774807 /nfs/dbraw/zinc/77/48/07/653774807.db2.gz DOBWAQOJHKCGOL-YPMHNXCESA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cc(Br)ccc1F ZINC000842960909 653774811 /nfs/dbraw/zinc/77/48/11/653774811.db2.gz DOBWAQOJHKCGOL-YPMHNXCESA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cc(OC)cc(Cl)c1F ZINC000842967690 653775545 /nfs/dbraw/zinc/77/55/45/653775545.db2.gz NWLNUBSJFUBXSF-DGCLKSJQSA-N 1 2 375.824 2.380 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cc(OC)cc(Cl)c1F ZINC000842967690 653775546 /nfs/dbraw/zinc/77/55/46/653775546.db2.gz NWLNUBSJFUBXSF-DGCLKSJQSA-N 1 2 375.824 2.380 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(COC(=O)[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000820499195 653775740 /nfs/dbraw/zinc/77/57/40/653775740.db2.gz NIKUPJJMNLLORS-MRXNPFEDSA-N 1 2 382.507 2.345 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000865868708 653777991 /nfs/dbraw/zinc/77/79/91/653777991.db2.gz VMUXUGKGSIHFTA-UHFFFAOYSA-N 1 2 385.205 2.086 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000865868819 653778045 /nfs/dbraw/zinc/77/80/45/653778045.db2.gz NXZLNBNJZUANMC-UHFFFAOYSA-N 1 2 397.264 2.310 20 0 GEADLO COc1ccc(F)c(C[NH2+]Cc2c(I)cnn2C)c1 ZINC000865869033 653778278 /nfs/dbraw/zinc/77/82/78/653778278.db2.gz UEUGOWMCDYGWRY-UHFFFAOYSA-N 1 2 375.185 2.462 20 0 GEADLO CCOc1cc(Cl)ccc1NC(=O)C(=O)Nc1nc(Cl)cc(NN)[nH+]1 ZINC000789599824 653778630 /nfs/dbraw/zinc/77/86/30/653778630.db2.gz UGPGAEPJHGXKCX-UHFFFAOYSA-N 1 2 385.211 2.045 20 0 GEADLO C[C@@H]1CN(c2cnn(CC(F)(F)F)c(=O)c2Br)C[C@H](C)[N@H+]1C ZINC000882402871 653780353 /nfs/dbraw/zinc/78/03/53/653780353.db2.gz YTAFPYRLFDKXMY-DTORHVGOSA-N 1 2 383.212 2.097 20 0 GEADLO C[C@@H]1CN(c2cnn(CC(F)(F)F)c(=O)c2Br)C[C@H](C)[N@@H+]1C ZINC000882402871 653780357 /nfs/dbraw/zinc/78/03/57/653780357.db2.gz YTAFPYRLFDKXMY-DTORHVGOSA-N 1 2 383.212 2.097 20 0 GEADLO CCC[C@@H](CCCS(C)(=O)=O)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000789960308 653783619 /nfs/dbraw/zinc/78/36/19/653783619.db2.gz AAOLXNPLRGAZOO-AWEZNQCLSA-N 1 2 382.517 2.415 20 0 GEADLO CCC[C@@H](CCCS(C)(=O)=O)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000789960308 653783622 /nfs/dbraw/zinc/78/36/22/653783622.db2.gz AAOLXNPLRGAZOO-AWEZNQCLSA-N 1 2 382.517 2.415 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(Br)cn2)C1 ZINC000882500375 653785178 /nfs/dbraw/zinc/78/51/78/653785178.db2.gz OYDFPTCULCZGTK-UHFFFAOYSA-N 1 2 396.310 2.311 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(Br)cn2)C1 ZINC000882500375 653785180 /nfs/dbraw/zinc/78/51/80/653785180.db2.gz OYDFPTCULCZGTK-UHFFFAOYSA-N 1 2 396.310 2.311 20 0 GEADLO O=C(c1cc(Br)cc(F)c1O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000866093405 653785770 /nfs/dbraw/zinc/78/57/70/653785770.db2.gz WKDADNRCYOPVJL-NSHDSACASA-N 1 2 387.249 2.088 20 0 GEADLO CC(C)n1ncc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1Br ZINC000866127063 653786551 /nfs/dbraw/zinc/78/65/51/653786551.db2.gz QVMOFRYDIRFISK-CYBMUJFWSA-N 1 2 385.306 2.163 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)CC1 ZINC000882540837 653787601 /nfs/dbraw/zinc/78/76/01/653787601.db2.gz ZOAVVSXJAWYNOQ-GFCCVEGCSA-N 1 2 383.901 2.064 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)CC1 ZINC000882540837 653787603 /nfs/dbraw/zinc/78/76/03/653787603.db2.gz ZOAVVSXJAWYNOQ-GFCCVEGCSA-N 1 2 383.901 2.064 20 0 GEADLO OC[C@@H]1CCCN(c2cc(NCc3ccc(Br)cn3)[nH+]cn2)C1 ZINC000866195917 653788644 /nfs/dbraw/zinc/78/86/44/653788644.db2.gz MBJWFJYKNXOFNN-GFCCVEGCSA-N 1 2 378.274 2.455 20 0 GEADLO OC[C@@H]1CCCN(c2cc(NCc3ccc(Br)cn3)nc[nH+]2)C1 ZINC000866195917 653788646 /nfs/dbraw/zinc/78/86/46/653788646.db2.gz MBJWFJYKNXOFNN-GFCCVEGCSA-N 1 2 378.274 2.455 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)Nc1ccc(F)cc1I ZINC000866388443 653792493 /nfs/dbraw/zinc/79/24/93/653792493.db2.gz JPLYOCQYDJIIKU-OWOJBTEDSA-N 1 2 390.196 2.257 20 0 GEADLO O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1nc[nH]c1Br ZINC000866409764 653793773 /nfs/dbraw/zinc/79/37/73/653793773.db2.gz SISIHUBMHGVVLS-ZDUSSCGKSA-N 1 2 399.314 2.288 20 0 GEADLO COC(=O)c1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c(Br)c1 ZINC000844137194 653802034 /nfs/dbraw/zinc/80/20/34/653802034.db2.gz MOILYYWYNUYYGN-CYBMUJFWSA-N 1 2 392.253 2.311 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844144622 653802403 /nfs/dbraw/zinc/80/24/03/653802403.db2.gz MYRWNKLCJMSHSO-LRDDRELGSA-N 1 2 378.270 2.400 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)C[C@H](C)O1 ZINC000866596503 653805309 /nfs/dbraw/zinc/80/53/09/653805309.db2.gz GLNDJNABMOTGEJ-XGUBFFRZSA-N 1 2 399.384 2.474 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)C[C@H](C)O1 ZINC000866596503 653805310 /nfs/dbraw/zinc/80/53/10/653805310.db2.gz GLNDJNABMOTGEJ-XGUBFFRZSA-N 1 2 399.384 2.474 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)C[C@@H](C)O1 ZINC000866596500 653805346 /nfs/dbraw/zinc/80/53/46/653805346.db2.gz GLNDJNABMOTGEJ-APIJFGDWSA-N 1 2 399.384 2.474 20 0 GEADLO O=C(Cc1cccnc1Br)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000791379951 653811724 /nfs/dbraw/zinc/81/17/24/653811724.db2.gz LZHFXCWFIGCVON-UHFFFAOYSA-N 1 2 390.281 2.437 20 0 GEADLO Cn1cc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c(I)n1 ZINC000895055618 653814721 /nfs/dbraw/zinc/81/47/21/653814721.db2.gz RAYNFJLVPXKVLP-OAHLLOKOSA-N 1 2 385.249 2.364 20 0 GEADLO Cn1cc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c(I)n1 ZINC000895055618 653814723 /nfs/dbraw/zinc/81/47/23/653814723.db2.gz RAYNFJLVPXKVLP-OAHLLOKOSA-N 1 2 385.249 2.364 20 0 GEADLO Cn1cc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c(I)n1 ZINC000895075900 653816071 /nfs/dbraw/zinc/81/60/71/653816071.db2.gz IRCWEKXIDDWCBR-INIZCTEOSA-N 1 2 397.260 2.291 20 0 GEADLO Cn1cc(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)c(I)n1 ZINC000895075900 653816072 /nfs/dbraw/zinc/81/60/72/653816072.db2.gz IRCWEKXIDDWCBR-INIZCTEOSA-N 1 2 397.260 2.291 20 0 GEADLO Cn1cc(C[NH2+][C@@H]2CCc3ccccc3NC2=O)c(I)n1 ZINC000895184410 653821752 /nfs/dbraw/zinc/82/17/52/653821752.db2.gz URUHVVMOKCGPCR-CYBMUJFWSA-N 1 2 396.232 2.068 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cc(Br)cnc1Cl)Cn1cc[nH+]c1 ZINC000844828568 653821875 /nfs/dbraw/zinc/82/18/75/653821875.db2.gz JQTJZXHCHQJXFU-SECBINFHSA-N 1 2 393.694 2.309 20 0 GEADLO O=C(CCCn1cc[nH+]c1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883027717 653823281 /nfs/dbraw/zinc/82/32/81/653823281.db2.gz LTFJNFPJKYPWQB-UHFFFAOYSA-N 1 2 379.214 2.395 20 0 GEADLO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000883027598 653823339 /nfs/dbraw/zinc/82/33/39/653823339.db2.gz HALKSKHIUQBCDK-SECBINFHSA-N 1 2 391.225 2.178 20 0 GEADLO Brc1ccc(N2CC[NH+](Cc3cnc4n3CCOC4)CC2)cc1 ZINC000895361870 653829919 /nfs/dbraw/zinc/82/99/19/653829919.db2.gz JWJQWTYRMPTLRO-UHFFFAOYSA-N 1 2 377.286 2.498 20 0 GEADLO O=C(NCc1cc(O)ccc1Cl)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000883183455 653831706 /nfs/dbraw/zinc/83/17/06/653831706.db2.gz BVZYICFXRPIUFH-KRWDZBQOSA-N 1 2 385.917 2.053 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N(C)Cc2cscc2Br)CCO1 ZINC000883271221 653833427 /nfs/dbraw/zinc/83/34/27/653833427.db2.gz IFPHPTZVMJBVCY-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)Cc2cscc2Br)CCO1 ZINC000883271221 653833429 /nfs/dbraw/zinc/83/34/29/653833429.db2.gz IFPHPTZVMJBVCY-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO OC[C@@H]1C[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C[C@H]1C(F)(F)F ZINC000895445188 653835056 /nfs/dbraw/zinc/83/50/56/653835056.db2.gz SHSRCYFFLOGDDJ-VHSXEESVSA-N 1 2 385.839 2.236 20 0 GEADLO OC[C@@H]1C[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C[C@H]1C(F)(F)F ZINC000895445188 653835058 /nfs/dbraw/zinc/83/50/58/653835058.db2.gz SHSRCYFFLOGDDJ-VHSXEESVSA-N 1 2 385.839 2.236 20 0 GEADLO C[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)c1ccc(Br)c(Cl)c1 ZINC000883304928 653835203 /nfs/dbraw/zinc/83/52/03/653835203.db2.gz KOCWCJPPEDUHCE-MRVPVSSYSA-N 1 2 384.665 2.288 20 0 GEADLO Cn1cc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)c(I)n1 ZINC000895466586 653836449 /nfs/dbraw/zinc/83/64/49/653836449.db2.gz WZYSPBYATLGSJV-UHFFFAOYSA-N 1 2 398.248 2.294 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000866864361 653840346 /nfs/dbraw/zinc/84/03/46/653840346.db2.gz HQEBBPWTFMHQDH-ZFWWWQNUSA-N 1 2 393.600 2.473 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000866864361 653840349 /nfs/dbraw/zinc/84/03/49/653840349.db2.gz HQEBBPWTFMHQDH-ZFWWWQNUSA-N 1 2 393.600 2.473 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NCC[C@@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000883488867 653843386 /nfs/dbraw/zinc/84/33/86/653843386.db2.gz XCVCDQDSTCQEKA-JKSUJKDBSA-N 1 2 387.933 2.209 20 0 GEADLO C[C@H](O)CNc1cc(N2CCC[C@H]2c2ncc(Br)cn2)nc[nH+]1 ZINC000895712567 653847274 /nfs/dbraw/zinc/84/72/74/653847274.db2.gz FAQMLHDIKLAPBX-JQWIXIFHSA-N 1 2 379.262 2.163 20 0 GEADLO C[C@H](O)CNc1cc(N2CCC[C@H]2c2ncc(Br)cn2)[nH+]cn1 ZINC000895712567 653847277 /nfs/dbraw/zinc/84/72/77/653847277.db2.gz FAQMLHDIKLAPBX-JQWIXIFHSA-N 1 2 379.262 2.163 20 0 GEADLO Cc1cn(C(C)(C)C(=O)N2CCN(c3ccc(Br)cn3)CC2)c[nH+]1 ZINC000895711308 653847289 /nfs/dbraw/zinc/84/72/89/653847289.db2.gz NLIJPJFDDNBRCK-UHFFFAOYSA-N 1 2 392.301 2.433 20 0 GEADLO CSCc1n[nH]c(C[NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)n1 ZINC000895813933 653851438 /nfs/dbraw/zinc/85/14/38/653851438.db2.gz NGXOBFUKGUFLHC-JTQLQIEISA-N 1 2 377.461 2.402 20 0 GEADLO Brc1c[nH]c(C[NH2+]C[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)n1 ZINC000895979245 653859172 /nfs/dbraw/zinc/85/91/72/653859172.db2.gz FRILCBOQKUMLAZ-GFCCVEGCSA-N 1 2 377.242 2.390 20 0 GEADLO COc1ccc(Br)c(Cn2cc(C[NH+]3CCC(O)CC3)nn2)c1 ZINC000883991099 653859703 /nfs/dbraw/zinc/85/97/03/653859703.db2.gz QNBHAYQBYJSUBD-UHFFFAOYSA-N 1 2 381.274 2.054 20 0 GEADLO O=C(c1snc(Cl)c1Cl)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000845808106 653864101 /nfs/dbraw/zinc/86/41/01/653864101.db2.gz NWRFYQSGTFGTQN-JTQLQIEISA-N 1 2 380.297 2.013 20 0 GEADLO COc1ccc(C(=O)OCCc2c[nH+]cn2C)c(I)c1 ZINC000793242121 653871909 /nfs/dbraw/zinc/87/19/09/653871909.db2.gz MQKIQGXWLJZJHK-UHFFFAOYSA-N 1 2 386.189 2.433 20 0 GEADLO C[C@](O)(C(=O)N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(F)c(Br)c1 ZINC000823635378 653875108 /nfs/dbraw/zinc/87/51/08/653875108.db2.gz XXYSRHQQQBNSQV-BDJLRTHQSA-N 1 2 382.233 2.123 20 0 GEADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=S)NCC(N)=O ZINC000793345018 653875894 /nfs/dbraw/zinc/87/58/94/653875894.db2.gz ZOHVPFSBRNBWHK-INIZCTEOSA-N 1 2 382.961 2.232 20 0 GEADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=S)NCC(N)=O ZINC000793345018 653875897 /nfs/dbraw/zinc/87/58/97/653875897.db2.gz ZOHVPFSBRNBWHK-INIZCTEOSA-N 1 2 382.961 2.232 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896534220 653883234 /nfs/dbraw/zinc/88/32/34/653883234.db2.gz KYPWMWWSUSICTL-SJWGOKEGSA-N 1 2 380.330 2.303 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896534220 653883236 /nfs/dbraw/zinc/88/32/36/653883236.db2.gz KYPWMWWSUSICTL-SJWGOKEGSA-N 1 2 380.330 2.303 20 0 GEADLO C[C@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896544464 653884023 /nfs/dbraw/zinc/88/40/23/653884023.db2.gz FPZIXCRWKFXNBG-AAEUAGOBSA-N 1 2 381.933 2.166 20 0 GEADLO C[C@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896544464 653884027 /nfs/dbraw/zinc/88/40/27/653884027.db2.gz FPZIXCRWKFXNBG-AAEUAGOBSA-N 1 2 381.933 2.166 20 0 GEADLO Cc1[nH]c(CNC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)[nH+]c1C ZINC000896913126 653899321 /nfs/dbraw/zinc/89/93/21/653899321.db2.gz NWCGHQPTOLYTFR-UHFFFAOYSA-N 1 2 386.271 2.123 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000824513878 653899475 /nfs/dbraw/zinc/89/94/75/653899475.db2.gz CBQVMMMMJMIANL-JTQLQIEISA-N 1 2 384.893 2.039 20 0 GEADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCn2ncc(Br)c2C1 ZINC000824594908 653902530 /nfs/dbraw/zinc/90/25/30/653902530.db2.gz OPZWZKDZWRXIMW-NSHDSACASA-N 1 2 392.179 2.378 20 0 GEADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCn2ncc(Br)c2C1 ZINC000824594906 653902593 /nfs/dbraw/zinc/90/25/93/653902593.db2.gz OPZWZKDZWRXIMW-LLVKDONJSA-N 1 2 392.179 2.378 20 0 GEADLO COc1nsc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c1Br ZINC000897010938 653903493 /nfs/dbraw/zinc/90/34/93/653903493.db2.gz VGIHLHQFSJFTCZ-UHFFFAOYSA-N 1 2 376.276 2.379 20 0 GEADLO O=C1N[C@@H](C2CC[NH+](Cc3cnc4ccc(Br)cn34)CC2)CO1 ZINC000897027283 653904178 /nfs/dbraw/zinc/90/41/78/653904178.db2.gz QMPIZRBCIZWXPM-CQSZACIVSA-N 1 2 379.258 2.417 20 0 GEADLO C[C@H]1[C@@H](NS(=O)(=O)c2nc[nH]c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000867272831 653907082 /nfs/dbraw/zinc/90/70/82/653907082.db2.gz NULOGPFMCHJLTJ-AAEUAGOBSA-N 1 2 399.314 2.114 20 0 GEADLO C[C@H]1[C@@H](NS(=O)(=O)c2nc[nH]c2Br)CC[N@H+]1Cc1ccccc1 ZINC000867272831 653907086 /nfs/dbraw/zinc/90/70/86/653907086.db2.gz NULOGPFMCHJLTJ-AAEUAGOBSA-N 1 2 399.314 2.114 20 0 GEADLO O=C(COC(=O)[C@@H]1CC1(Cl)Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000794402097 653907439 /nfs/dbraw/zinc/90/74/39/653907439.db2.gz BTEUOSZWHMQHQO-LBPRGKRZSA-N 1 2 377.293 2.129 20 0 GEADLO O=C1Nc2ncc(Br)cc2C[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000897225153 653911969 /nfs/dbraw/zinc/91/19/69/653911969.db2.gz ZHFUHVLXIPVTCW-LLVKDONJSA-N 1 2 375.230 2.184 20 0 GEADLO O=C1Nc2ncc(Br)cc2C[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000897225153 653911970 /nfs/dbraw/zinc/91/19/70/653911970.db2.gz ZHFUHVLXIPVTCW-LLVKDONJSA-N 1 2 375.230 2.184 20 0 GEADLO CC(C)[NH+]1CC(NC(=O)c2cc(Br)ncc2Br)C1 ZINC000867524358 653945158 /nfs/dbraw/zinc/94/51/58/653945158.db2.gz RRZWGGILSXHYOS-UHFFFAOYSA-N 1 2 377.080 2.429 20 0 GEADLO O=C(Nc1cc(Br)cc(Cl)c1O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897253880 653912698 /nfs/dbraw/zinc/91/26/98/653912698.db2.gz LIKKRADJXBGMCU-JTQLQIEISA-N 1 2 375.650 2.467 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000824951710 653913543 /nfs/dbraw/zinc/91/35/43/653913543.db2.gz YZNVEVJMRLLLMO-VXGBXAGGSA-N 1 2 385.306 2.202 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000824951710 653913546 /nfs/dbraw/zinc/91/35/46/653913546.db2.gz YZNVEVJMRLLLMO-VXGBXAGGSA-N 1 2 385.306 2.202 20 0 GEADLO Cn1cc(C[N@@H+]2CCn3ncc(I)c3C2)c(C2CC2)n1 ZINC000897289170 653914411 /nfs/dbraw/zinc/91/44/11/653914411.db2.gz JDVVRNOFGZRIOZ-UHFFFAOYSA-N 1 2 383.237 2.114 20 0 GEADLO Cn1cc(C[N@H+]2CCn3ncc(I)c3C2)c(C2CC2)n1 ZINC000897289170 653914414 /nfs/dbraw/zinc/91/44/14/653914414.db2.gz JDVVRNOFGZRIOZ-UHFFFAOYSA-N 1 2 383.237 2.114 20 0 GEADLO C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000825329289 653925375 /nfs/dbraw/zinc/92/53/75/653925375.db2.gz VLQNBCSUNYQJCE-CPUCHLNUSA-N 1 2 378.270 2.386 20 0 GEADLO C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000825329289 653925378 /nfs/dbraw/zinc/92/53/78/653925378.db2.gz VLQNBCSUNYQJCE-CPUCHLNUSA-N 1 2 378.270 2.386 20 0 GEADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000867403970 653927753 /nfs/dbraw/zinc/92/77/53/653927753.db2.gz AIUDSVVEIMTIML-OAHLLOKOSA-N 1 2 380.242 2.276 20 0 GEADLO Cn1nc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1Br ZINC000825405156 653928331 /nfs/dbraw/zinc/92/83/31/653928331.db2.gz JSLUZHHHJIQLHC-UHFFFAOYSA-N 1 2 392.301 2.182 20 0 GEADLO COCCNC(=S)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000795105423 653930911 /nfs/dbraw/zinc/93/09/11/653930911.db2.gz DIFXNFWMUBUHRO-UHFFFAOYSA-N 1 2 387.303 2.262 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)NCc1cc2cc(Br)ccc2[nH]1 ZINC000867448876 653933576 /nfs/dbraw/zinc/93/35/76/653933576.db2.gz KHOLPYQKYLNOTJ-OWOJBTEDSA-N 1 2 378.270 2.435 20 0 GEADLO C[C@]1(CS(=O)(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1(Cl)Cl ZINC000867529677 653946194 /nfs/dbraw/zinc/94/61/94/653946194.db2.gz LSDNRODIRPEPJO-MGPQQGTHSA-N 1 2 397.368 2.133 20 0 GEADLO COC(=O)c1cc(C2C[NH+](Cc3ccccc3I)C2)[nH]n1 ZINC000898004876 653949440 /nfs/dbraw/zinc/94/94/40/653949440.db2.gz ORIUYJIFHOYEHF-UHFFFAOYSA-N 1 2 397.216 2.400 20 0 GEADLO Cc1csc([C@@H]([NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)C2CC2)n1 ZINC000826320208 653949618 /nfs/dbraw/zinc/94/96/18/653949618.db2.gz JOIPWAJXMSJXJH-LBPRGKRZSA-N 1 2 375.483 2.373 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)NCCCCNc2cccc[nH+]2)c(Cl)cn1 ZINC000826534695 653952468 /nfs/dbraw/zinc/95/24/68/653952468.db2.gz JJKGUXPUFYVXAA-UHFFFAOYSA-N 1 2 382.873 2.156 20 0 GEADLO C[C@](CO)([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1cccc(Br)c1 ZINC000898168601 653956681 /nfs/dbraw/zinc/95/66/81/653956681.db2.gz KJRQFHZVJCMZFQ-IAGOWNOFSA-N 1 2 395.301 2.217 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)[C@H](CO)C1 ZINC000826708196 653958306 /nfs/dbraw/zinc/95/83/06/653958306.db2.gz SULSOURDZHJOIA-QMMMGPOBSA-N 1 2 399.182 2.356 20 0 GEADLO C[N@H+]1CCN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)[C@H](CO)C1 ZINC000826708196 653958307 /nfs/dbraw/zinc/95/83/07/653958307.db2.gz SULSOURDZHJOIA-QMMMGPOBSA-N 1 2 399.182 2.356 20 0 GEADLO O=S(=O)(Nc1cccc(C[NH2+]Cc2nc(Br)c[nH]2)c1)C1CC1 ZINC000898289228 653961238 /nfs/dbraw/zinc/96/12/38/653961238.db2.gz YGJXJZWTOHFXCI-UHFFFAOYSA-N 1 2 385.287 2.366 20 0 GEADLO CO[C@@H](C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000795751308 653965056 /nfs/dbraw/zinc/96/50/56/653965056.db2.gz ONHJFPZGMPMJDQ-MEDUHNTESA-N 1 2 384.274 2.140 20 0 GEADLO CO[C@@H](C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000795751308 653965060 /nfs/dbraw/zinc/96/50/60/653965060.db2.gz ONHJFPZGMPMJDQ-MEDUHNTESA-N 1 2 384.274 2.140 20 0 GEADLO CCc1ncc(C[NH2+][C@@H](CO)c2ccccc2I)cn1 ZINC000898513634 653975150 /nfs/dbraw/zinc/97/51/50/653975150.db2.gz WTQKFPCORRKHPZ-AWEZNQCLSA-N 1 2 383.233 2.467 20 0 GEADLO OC[C@@H]([NH2+]Cc1cnn2c1CCC2)c1ccccc1I ZINC000898513637 653975238 /nfs/dbraw/zinc/97/52/38/653975238.db2.gz WXZNBFOZGAGICO-CQSZACIVSA-N 1 2 383.233 2.257 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000898664355 653979697 /nfs/dbraw/zinc/97/96/97/653979697.db2.gz DKTPDKJCHAMPJD-GHMZBOCLSA-N 1 2 379.448 2.324 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000898664355 653979700 /nfs/dbraw/zinc/97/97/00/653979700.db2.gz DKTPDKJCHAMPJD-GHMZBOCLSA-N 1 2 379.448 2.324 20 0 GEADLO Cc1c(Br)cccc1CS(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000848600201 653988514 /nfs/dbraw/zinc/98/85/14/653988514.db2.gz KYICOKIXJISFNN-LBPRGKRZSA-N 1 2 383.258 2.126 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898886961 653990985 /nfs/dbraw/zinc/99/09/85/653990985.db2.gz HKGYHXGDVNKIIQ-BXUZGUMPSA-N 1 2 394.269 2.241 20 0 GEADLO Cc1csc([C@](O)(CC(=O)NCC(C)(C)n2cc[nH+]c2)C(F)(F)F)n1 ZINC000898900987 653991784 /nfs/dbraw/zinc/99/17/84/653991784.db2.gz AGJHKLIXDYQOML-CQSZACIVSA-N 1 2 376.404 2.340 20 0 GEADLO CN(CC(=O)NCC(C)(C)n1cc[nH+]c1)C(=O)c1ccc(Br)s1 ZINC000898902250 653991910 /nfs/dbraw/zinc/99/19/10/653991910.db2.gz TWCBRRZOJLOZSW-UHFFFAOYSA-N 1 2 399.314 2.331 20 0 GEADLO CC(C)(CNC(=O)c1ccc(Br)cc1-n1cncn1)n1cc[nH+]c1 ZINC000898904613 653991947 /nfs/dbraw/zinc/99/19/47/653991947.db2.gz ITVGPGQCXGQWDV-UHFFFAOYSA-N 1 2 389.257 2.391 20 0 GEADLO CCn1cc(Br)cc1C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827463217 653993330 /nfs/dbraw/zinc/99/33/30/653993330.db2.gz YYDVDWVRJOHZGE-UHFFFAOYSA-N 1 2 383.334 2.123 20 0 GEADLO O=c1[nH]ccn2c(C[NH2+][C@H]3CCCOc4c(Br)cccc43)nnc12 ZINC000886702703 653995330 /nfs/dbraw/zinc/99/53/30/653995330.db2.gz BDECHLGPMITMSL-LBPRGKRZSA-N 1 2 390.241 2.184 20 0 GEADLO CC(C)n1cc(Br)cc1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899058573 653997588 /nfs/dbraw/zinc/99/75/88/653997588.db2.gz SHMGRLXJHDRDOZ-UHFFFAOYSA-N 1 2 386.290 2.010 20 0 GEADLO CC(C)n1cc(Br)cc1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899058573 653997591 /nfs/dbraw/zinc/99/75/91/653997591.db2.gz SHMGRLXJHDRDOZ-UHFFFAOYSA-N 1 2 386.290 2.010 20 0 GEADLO COc1ccc(C(=O)NC(=O)C[NH2+][C@H](C)c2ccc(Br)cn2)cc1 ZINC000796504825 653999351 /nfs/dbraw/zinc/99/93/51/653999351.db2.gz MJMHXFIEUVFSNO-LLVKDONJSA-N 1 2 392.253 2.460 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1sc(CC(F)(F)F)nc1C ZINC000899202004 654004043 /nfs/dbraw/zinc/00/40/43/654004043.db2.gz SXXFFPXDHSQNAI-GFCCVEGCSA-N 1 2 379.448 2.326 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cc1sc(CC(F)(F)F)nc1C ZINC000899202004 654004046 /nfs/dbraw/zinc/00/40/46/654004046.db2.gz SXXFFPXDHSQNAI-GFCCVEGCSA-N 1 2 379.448 2.326 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000867896425 654004746 /nfs/dbraw/zinc/00/47/46/654004746.db2.gz RFGMCAPDMWPDOR-OSPHWJPCSA-N 1 2 387.571 2.335 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000867896425 654004749 /nfs/dbraw/zinc/00/47/49/654004749.db2.gz RFGMCAPDMWPDOR-OSPHWJPCSA-N 1 2 387.571 2.335 20 0 GEADLO O=C(N[C@H]1CCc2cc(Br)ccc2NC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899228455 654005337 /nfs/dbraw/zinc/00/53/37/654005337.db2.gz APTAOGGRPQNQTL-BZPMIXESSA-N 1 2 389.253 2.345 20 0 GEADLO O=C(N[C@H]1CCc2cc(Br)ccc2NC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899228455 654005340 /nfs/dbraw/zinc/00/53/40/654005340.db2.gz APTAOGGRPQNQTL-BZPMIXESSA-N 1 2 389.253 2.345 20 0 GEADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000867935248 654008862 /nfs/dbraw/zinc/00/88/62/654008862.db2.gz FFBANQGSVAIQCG-OAHLLOKOSA-N 1 2 379.258 2.309 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000867941925 654009487 /nfs/dbraw/zinc/00/94/87/654009487.db2.gz XMBJNUCTLZHMMD-BWUNSPHZSA-N 1 2 383.261 2.449 20 0 GEADLO Cn1cc(NC(=S)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000899498594 654018635 /nfs/dbraw/zinc/01/86/35/654018635.db2.gz JDZHXGAEXLJCCZ-JKSUJKDBSA-N 1 2 379.917 2.432 20 0 GEADLO Cn1cc(NC(=S)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000899498594 654018642 /nfs/dbraw/zinc/01/86/42/654018642.db2.gz JDZHXGAEXLJCCZ-JKSUJKDBSA-N 1 2 379.917 2.432 20 0 GEADLO COC[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000828104689 654021983 /nfs/dbraw/zinc/02/19/83/654021983.db2.gz ACCWEYWGBMQUOO-QQNRWZHASA-N 1 2 383.286 2.141 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@]1(C)CC1(Br)Br ZINC000849969343 654064197 /nfs/dbraw/zinc/06/41/97/654064197.db2.gz ZLNBZSCDFQJRGN-GXSJLCMTSA-N 1 2 385.096 2.146 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CS(=O)(=O)C3(C)C)n2)C1 ZINC000887614259 654041609 /nfs/dbraw/zinc/04/16/09/654041609.db2.gz LHLKHARIAQCYIB-AAEUAGOBSA-N 1 2 386.543 2.072 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CS(=O)(=O)C3(C)C)n2)C1 ZINC000887614259 654041612 /nfs/dbraw/zinc/04/16/12/654041612.db2.gz LHLKHARIAQCYIB-AAEUAGOBSA-N 1 2 386.543 2.072 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CS(=O)(=O)C3(C)C)n2)C1 ZINC000887614260 654041681 /nfs/dbraw/zinc/04/16/81/654041681.db2.gz LHLKHARIAQCYIB-YPMHNXCESA-N 1 2 386.543 2.072 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CS(=O)(=O)C3(C)C)n2)C1 ZINC000887614260 654041684 /nfs/dbraw/zinc/04/16/84/654041684.db2.gz LHLKHARIAQCYIB-YPMHNXCESA-N 1 2 386.543 2.072 20 0 GEADLO C/C(=C\C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C[NH+]1CCOCC1 ZINC000899956850 654042558 /nfs/dbraw/zinc/04/25/58/654042558.db2.gz JKNMXJBXSLTLAN-XYOKQWHBSA-N 1 2 386.279 2.327 20 0 GEADLO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000868630792 654047102 /nfs/dbraw/zinc/04/71/02/654047102.db2.gz AVPLQEAOUWIUMA-AWEZNQCLSA-N 1 2 393.285 2.034 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H](O)c1cccc(Br)c1 ZINC000900135321 654051594 /nfs/dbraw/zinc/05/15/94/654051594.db2.gz QUBSDUVQERDTEE-INIZCTEOSA-N 1 2 378.270 2.374 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(Br)c2nccnc2c1 ZINC000828926809 654055113 /nfs/dbraw/zinc/05/51/13/654055113.db2.gz ASYYRHLEKFPRMB-CYBMUJFWSA-N 1 2 393.285 2.233 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(Br)c2nccnc2c1 ZINC000828926809 654055118 /nfs/dbraw/zinc/05/51/18/654055118.db2.gz ASYYRHLEKFPRMB-CYBMUJFWSA-N 1 2 393.285 2.233 20 0 GEADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000798227816 654055723 /nfs/dbraw/zinc/05/57/23/654055723.db2.gz ZDIOWJYNDMEKDF-UHFFFAOYSA-N 1 2 376.406 2.293 20 0 GEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]nc1I ZINC000900339197 654059831 /nfs/dbraw/zinc/05/98/31/654059831.db2.gz DXZPFFZITHFFQO-JTQLQIEISA-N 1 2 387.225 2.056 20 0 GEADLO CN(CCn1cc(Br)cn1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869109062 654069594 /nfs/dbraw/zinc/06/95/94/654069594.db2.gz RPHBMIRGNZVEKP-INIZCTEOSA-N 1 2 392.301 2.474 20 0 GEADLO CN(CCn1cc(Br)cn1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869109062 654069596 /nfs/dbraw/zinc/06/95/96/654069596.db2.gz RPHBMIRGNZVEKP-INIZCTEOSA-N 1 2 392.301 2.474 20 0 GEADLO C[NH+](C)[C@@H](C(=O)OCc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccccc1 ZINC000798648904 654071941 /nfs/dbraw/zinc/07/19/41/654071941.db2.gz NZCHEZKMVXUZHQ-MRXNPFEDSA-N 1 2 382.869 2.334 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(Cl)c2Cl)CC1 ZINC000900685914 654076481 /nfs/dbraw/zinc/07/64/81/654076481.db2.gz WDHPYLXUNIIKQD-UHFFFAOYSA-N 1 2 387.311 2.405 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccnc(Cl)c2Cl)CC1 ZINC000900685914 654076483 /nfs/dbraw/zinc/07/64/83/654076483.db2.gz WDHPYLXUNIIKQD-UHFFFAOYSA-N 1 2 387.311 2.405 20 0 GEADLO C[C@@H](CNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)Cn1cc[nH+]c1 ZINC000900787514 654080362 /nfs/dbraw/zinc/08/03/62/654080362.db2.gz LUULXGKVSWQSJE-XHDPSFHLSA-N 1 2 392.253 2.180 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)Nc1ccc(I)cc1F ZINC000869250094 654081116 /nfs/dbraw/zinc/08/11/16/654081116.db2.gz MUELMDAFQYEIBX-UPHRSURJSA-N 1 2 390.196 2.257 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900812170 654082508 /nfs/dbraw/zinc/08/25/08/654082508.db2.gz SKHNXSLXJUPGJD-GXSJLCMTSA-N 1 2 396.504 2.356 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000900812170 654082510 /nfs/dbraw/zinc/08/25/10/654082510.db2.gz SKHNXSLXJUPGJD-GXSJLCMTSA-N 1 2 396.504 2.356 20 0 GEADLO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000850587878 654083856 /nfs/dbraw/zinc/08/38/56/654083856.db2.gz MSZNSPJGHVCVHX-SNVBAGLBSA-N 1 2 389.649 2.330 20 0 GEADLO O=C(CN1CCC=C(Br)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000799325337 654092212 /nfs/dbraw/zinc/09/22/12/654092212.db2.gz ABRRAVYILLNNSL-UHFFFAOYSA-N 1 2 384.343 2.377 20 0 GEADLO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000916452478 654096008 /nfs/dbraw/zinc/09/60/08/654096008.db2.gz BKRQQFIMCJFDAA-OIRASMEMSA-N 1 2 399.460 2.304 20 0 GEADLO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000916452478 654096012 /nfs/dbraw/zinc/09/60/12/654096012.db2.gz BKRQQFIMCJFDAA-OIRASMEMSA-N 1 2 399.460 2.304 20 0 GEADLO O=C(Cc1c[nH+]c[nH]1)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000901108858 654109156 /nfs/dbraw/zinc/10/91/56/654109156.db2.gz NLESAZRRVOGNBY-UHFFFAOYSA-N 1 2 381.249 2.198 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1c(Cl)cccc1C(F)(F)F ZINC000917050148 654112447 /nfs/dbraw/zinc/11/24/47/654112447.db2.gz AJNYPEBYHQEQTH-LLVKDONJSA-N 1 2 397.850 2.027 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@H+]2CCN1CCC2)c1c(Cl)cccc1C(F)(F)F ZINC000917050148 654112450 /nfs/dbraw/zinc/11/24/50/654112450.db2.gz AJNYPEBYHQEQTH-LLVKDONJSA-N 1 2 397.850 2.027 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000917108423 654113595 /nfs/dbraw/zinc/11/35/95/654113595.db2.gz MDCQYEFWWNKYOL-LLVKDONJSA-N 1 2 375.230 2.045 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CC[C@H](OC(=O)N(C)C)C1)c1ccc(Br)cc1 ZINC000830488128 654121223 /nfs/dbraw/zinc/12/12/23/654121223.db2.gz SLEUVMSREYOQAU-WFASDCNBSA-N 1 2 398.301 2.399 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CC[C@H](OC(=O)N(C)C)C1)c1ccc(Br)cc1 ZINC000830488128 654121227 /nfs/dbraw/zinc/12/12/27/654121227.db2.gz SLEUVMSREYOQAU-WFASDCNBSA-N 1 2 398.301 2.399 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cncc(Br)c1C ZINC000851102183 654129900 /nfs/dbraw/zinc/12/99/00/654129900.db2.gz KXVJWOOMAGZIIG-YPMHNXCESA-N 1 2 387.274 2.045 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cncc(Br)c1C ZINC000851102183 654129904 /nfs/dbraw/zinc/12/99/04/654129904.db2.gz KXVJWOOMAGZIIG-YPMHNXCESA-N 1 2 387.274 2.045 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CCO1 ZINC000800125086 654130572 /nfs/dbraw/zinc/13/05/72/654130572.db2.gz AEYASKQBKMLSFD-NHYWBVRUSA-N 1 2 384.885 2.407 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CCO1 ZINC000800125086 654130576 /nfs/dbraw/zinc/13/05/76/654130576.db2.gz AEYASKQBKMLSFD-NHYWBVRUSA-N 1 2 384.885 2.407 20 0 GEADLO O=S(=O)(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cccnc1Cl ZINC000917762690 654134022 /nfs/dbraw/zinc/13/40/22/654134022.db2.gz RUMRTKVTDBYJPJ-UHFFFAOYSA-N 1 2 381.885 2.411 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)Cc2cccc(I)c2)CCO1 ZINC000800182729 654135730 /nfs/dbraw/zinc/13/57/30/654135730.db2.gz KSXAHXVYWDSNKW-GFCCVEGCSA-N 1 2 389.233 2.098 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)Cc2cccc(I)c2)CCO1 ZINC000800182729 654135735 /nfs/dbraw/zinc/13/57/35/654135735.db2.gz KSXAHXVYWDSNKW-GFCCVEGCSA-N 1 2 389.233 2.098 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000800513777 654147742 /nfs/dbraw/zinc/14/77/42/654147742.db2.gz ZLGYZBCVYYUHKX-LLVKDONJSA-N 1 2 390.531 2.004 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000800513777 654147744 /nfs/dbraw/zinc/14/77/44/654147744.db2.gz ZLGYZBCVYYUHKX-LLVKDONJSA-N 1 2 390.531 2.004 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)C(C)(C)C1 ZINC000831001949 654155430 /nfs/dbraw/zinc/15/54/30/654155430.db2.gz ZBYLHNKCVIGVHA-UHFFFAOYSA-N 1 2 382.711 2.212 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)C(C)(C)C1 ZINC000831001949 654155434 /nfs/dbraw/zinc/15/54/34/654155434.db2.gz ZBYLHNKCVIGVHA-UHFFFAOYSA-N 1 2 382.711 2.212 20 0 GEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831020724 654156314 /nfs/dbraw/zinc/15/63/14/654156314.db2.gz UYGHFDDRBWURHP-DTWKUNHWSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831020724 654156319 /nfs/dbraw/zinc/15/63/19/654156319.db2.gz UYGHFDDRBWURHP-DTWKUNHWSA-N 1 2 382.711 2.211 20 0 GEADLO COCCO[C@H]1CCC[N@H+](Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000800849443 654161842 /nfs/dbraw/zinc/16/18/42/654161842.db2.gz AQIBHVNLZRJPEQ-ZDUSSCGKSA-N 1 2 385.258 2.442 20 0 GEADLO COCCO[C@H]1CCC[N@@H+](Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000800849443 654161844 /nfs/dbraw/zinc/16/18/44/654161844.db2.gz AQIBHVNLZRJPEQ-ZDUSSCGKSA-N 1 2 385.258 2.442 20 0 GEADLO CC(=O)N[C@H](C(=O)O[C@@H]1CC[N@H+](CCF)C1)c1cccc(Br)c1 ZINC000870329313 654163523 /nfs/dbraw/zinc/16/35/23/654163523.db2.gz IJHFBCROOPXHIT-CABCVRRESA-N 1 2 387.249 2.213 20 0 GEADLO CC(=O)N[C@H](C(=O)O[C@@H]1CC[N@@H+](CCF)C1)c1cccc(Br)c1 ZINC000870329313 654163533 /nfs/dbraw/zinc/16/35/33/654163533.db2.gz IJHFBCROOPXHIT-CABCVRRESA-N 1 2 387.249 2.213 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2csc(I)n2)C1 ZINC000831209230 654171191 /nfs/dbraw/zinc/17/11/91/654171191.db2.gz BFJDWBPRGORFDP-QMMMGPOBSA-N 1 2 388.234 2.111 20 0 GEADLO COc1ccc(C[NH+]2CCN(CCn3cnc(Br)n3)CC2)cc1F ZINC000851723335 654172788 /nfs/dbraw/zinc/17/27/88/654172788.db2.gz LRAYRYLHWUZMRG-UHFFFAOYSA-N 1 2 398.280 2.006 20 0 GEADLO CCOP(=O)(OCC)[C@H](O)CN1CC[NH+](CCc2cccs2)CC1 ZINC000851736927 654173223 /nfs/dbraw/zinc/17/32/23/654173223.db2.gz XYYPLUFMCSSIGX-INIZCTEOSA-N 1 2 376.459 2.493 20 0 GEADLO CSCC1CC[NH+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC1 ZINC000902390039 654176359 /nfs/dbraw/zinc/17/63/59/654176359.db2.gz FYYCFTPNRYZWKH-UHFFFAOYSA-N 1 2 381.523 2.114 20 0 GEADLO C[C@@H]1C[N@H+](Cn2c3ccccc3n(C(F)F)c2=S)C[C@H]1CS(N)(=O)=O ZINC000902605833 654187469 /nfs/dbraw/zinc/18/74/69/654187469.db2.gz VKCLBGRGBBHNQT-MNOVXSKESA-N 1 2 390.481 2.381 20 0 GEADLO C[C@@H]1C[N@@H+](Cn2c3ccccc3n(C(F)F)c2=S)C[C@H]1CS(N)(=O)=O ZINC000902605833 654187472 /nfs/dbraw/zinc/18/74/72/654187472.db2.gz VKCLBGRGBBHNQT-MNOVXSKESA-N 1 2 390.481 2.381 20 0 GEADLO O=C(c1nc(Cl)ccc1Cl)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000831630902 654195128 /nfs/dbraw/zinc/19/51/28/654195128.db2.gz WDVPZELWSHAFSF-UHFFFAOYSA-N 1 2 381.267 2.103 20 0 GEADLO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000919981640 654197867 /nfs/dbraw/zinc/19/78/67/654197867.db2.gz ODYLULPDKXCLBF-GXFFZTMASA-N 1 2 399.866 2.271 20 0 GEADLO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@H]1C[N@@H+](C)CCN1C ZINC000919981640 654197872 /nfs/dbraw/zinc/19/78/72/654197872.db2.gz ODYLULPDKXCLBF-GXFFZTMASA-N 1 2 399.866 2.271 20 0 GEADLO NC(=O)[C@](O)(C[N@@H+]1CCc2cc(Br)cc(F)c2C1)c1ccccc1 ZINC000851905725 654205077 /nfs/dbraw/zinc/20/50/77/654205077.db2.gz ODQQPQCAQHSSDZ-SFHVURJKSA-N 1 2 393.256 2.319 20 0 GEADLO NC(=O)[C@](O)(C[N@H+]1CCc2cc(Br)cc(F)c2C1)c1ccccc1 ZINC000851905725 654205079 /nfs/dbraw/zinc/20/50/79/654205079.db2.gz ODQQPQCAQHSSDZ-SFHVURJKSA-N 1 2 393.256 2.319 20 0 GEADLO Brc1ncn(CCN2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000851997561 654211683 /nfs/dbraw/zinc/21/16/83/654211683.db2.gz LETNHJXWTKPUPP-UHFFFAOYSA-N 1 2 379.306 2.453 20 0 GEADLO Brc1ncn(CC[NH+]2CCC(c3ncc4n3CCCC4)CC2)n1 ZINC000851997561 654211688 /nfs/dbraw/zinc/21/16/88/654211688.db2.gz LETNHJXWTKPUPP-UHFFFAOYSA-N 1 2 379.306 2.453 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC000920627286 654217348 /nfs/dbraw/zinc/21/73/48/654217348.db2.gz YFNPVHKURONIPR-UHFFFAOYSA-N 1 2 381.479 2.195 20 0 GEADLO O=C1C[C@@]2(CC[N@@H+](CCn3cnc(Br)n3)C2)Oc2ccccc21 ZINC000852173434 654223043 /nfs/dbraw/zinc/22/30/43/654223043.db2.gz SZFPSVATXQCWGM-MRXNPFEDSA-N 1 2 377.242 2.151 20 0 GEADLO O=C1C[C@@]2(CC[N@H+](CCn3cnc(Br)n3)C2)Oc2ccccc21 ZINC000852173434 654223048 /nfs/dbraw/zinc/22/30/48/654223048.db2.gz SZFPSVATXQCWGM-MRXNPFEDSA-N 1 2 377.242 2.151 20 0 GEADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccc(Br)cc1-n1cncn1 ZINC000802239085 654223307 /nfs/dbraw/zinc/22/33/07/654223307.db2.gz SARFYNYQGDQSNI-GFCCVEGCSA-N 1 2 383.221 2.230 20 0 GEADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccc(Br)cc1-n1cncn1 ZINC000802239085 654223309 /nfs/dbraw/zinc/22/33/09/654223309.db2.gz SARFYNYQGDQSNI-GFCCVEGCSA-N 1 2 383.221 2.230 20 0 GEADLO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(-c2ccccc2)cn1 ZINC000903224735 654228467 /nfs/dbraw/zinc/22/84/67/654228467.db2.gz BGRIMAAVCQVLAH-CQSZACIVSA-N 1 2 381.523 2.457 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(CN(C)C)cs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903226670 654228955 /nfs/dbraw/zinc/22/89/55/654228955.db2.gz PEQCNBXZKYGKJR-CYBMUJFWSA-N 1 2 382.555 2.306 20 0 GEADLO C[C@@](CO)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000890630674 654233149 /nfs/dbraw/zinc/23/31/49/654233149.db2.gz QTLGLYSHLBGGDW-SJCJKPOMSA-N 1 2 378.270 2.232 20 0 GEADLO CCN1CC[C@H]([N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1=O ZINC000852334911 654233150 /nfs/dbraw/zinc/23/31/50/654233150.db2.gz CIPJIFWSNDBIIM-UMNHJUIQSA-N 1 2 380.124 2.435 20 0 GEADLO CCN1CC[C@H]([N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1=O ZINC000852334911 654233153 /nfs/dbraw/zinc/23/31/53/654233153.db2.gz CIPJIFWSNDBIIM-UMNHJUIQSA-N 1 2 380.124 2.435 20 0 GEADLO CN(C)c1nc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c(Cl)n1-c1ccccc1 ZINC000802645143 654235099 /nfs/dbraw/zinc/23/50/99/654235099.db2.gz JPYRXARZLPHQIP-ZDUSSCGKSA-N 1 2 382.917 2.259 20 0 GEADLO O=C1c2cc(Br)ccc2CN1CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000802735554 654238581 /nfs/dbraw/zinc/23/85/81/654238581.db2.gz QUHLHILKOCRKFK-INIZCTEOSA-N 1 2 394.313 2.159 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000802735554 654238585 /nfs/dbraw/zinc/23/85/85/654238585.db2.gz QUHLHILKOCRKFK-INIZCTEOSA-N 1 2 394.313 2.159 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000802735554 654238588 /nfs/dbraw/zinc/23/85/88/654238588.db2.gz QUHLHILKOCRKFK-INIZCTEOSA-N 1 2 394.313 2.159 20 0 GEADLO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852437308 654239775 /nfs/dbraw/zinc/23/97/75/654239775.db2.gz ADMJUHZMPPQQND-GFCCVEGCSA-N 1 2 379.258 2.362 20 0 GEADLO Cn1c2cc(Br)ccc2nc1C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852437308 654239781 /nfs/dbraw/zinc/23/97/81/654239781.db2.gz ADMJUHZMPPQQND-GFCCVEGCSA-N 1 2 379.258 2.362 20 0 GEADLO CC(C)CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000890984646 654255319 /nfs/dbraw/zinc/25/53/19/654255319.db2.gz POZTUNHQRQCVKK-UHFFFAOYSA-N 1 2 397.317 2.267 20 0 GEADLO O=C(NCCC[NH+]1CC(O)(c2ccc(Br)cc2)C1)C(F)(F)F ZINC000852726704 654256035 /nfs/dbraw/zinc/25/60/35/654256035.db2.gz ANEUACHEQIYIDF-UHFFFAOYSA-N 1 2 381.192 2.021 20 0 GEADLO O=C(CC[NH+]1CC(O)(c2ccc(Br)cc2)C1)Nc1cccnc1 ZINC000852728078 654256271 /nfs/dbraw/zinc/25/62/71/654256271.db2.gz WCFWCYRMROQRLA-UHFFFAOYSA-N 1 2 376.254 2.376 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)COC(F)F)cc2Br)CC1 ZINC000803168276 654266709 /nfs/dbraw/zinc/26/67/09/654266709.db2.gz UORGOFOCLUSDAU-UHFFFAOYSA-N 1 2 378.217 2.379 20 0 GEADLO O=C(Nc1c2nsnc2ccc1Cl)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000903632678 654270577 /nfs/dbraw/zinc/27/05/77/654270577.db2.gz XQZIFYDHGIFZKU-MFKMUULPSA-N 1 2 382.873 2.163 20 0 GEADLO CC[NH+]1CCC(NC(=O)c2csc(S(C)(=O)=O)c2)(C(F)(F)F)CC1 ZINC000891208871 654272013 /nfs/dbraw/zinc/27/20/13/654272013.db2.gz FFLFOQUWTVNEJG-UHFFFAOYSA-N 1 2 384.445 2.298 20 0 GEADLO CC(C)c1[nH+]ccn1CCNS(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000921525844 654278131 /nfs/dbraw/zinc/27/81/31/654278131.db2.gz CVLOMGXRMUYZLJ-HSZRJFAPSA-N 1 2 376.548 2.271 20 0 GEADLO C[C@@H]([NH2+]Cc1c(I)cnn1C)C(=O)Nc1ccccc1 ZINC000871931175 654283363 /nfs/dbraw/zinc/28/33/63/654283363.db2.gz FRFMKMOTEOAJHJ-SNVBAGLBSA-N 1 2 384.221 2.142 20 0 GEADLO C[C@H](CC(=O)N[C@H](CO)c1ccccc1I)n1cc[nH+]c1 ZINC000891321805 654283883 /nfs/dbraw/zinc/28/38/83/654283883.db2.gz KDKOUSUZCWQGQA-BXUZGUMPSA-N 1 2 399.232 2.289 20 0 GEADLO CN(Cc1ncc(Br)cn1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000921631792 654295752 /nfs/dbraw/zinc/29/57/52/654295752.db2.gz ZDJMTXZUFNNXKL-ZDUSSCGKSA-N 1 2 391.273 2.054 20 0 GEADLO CCc1nn(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)c(=S)s1 ZINC000853494696 654299086 /nfs/dbraw/zinc/29/90/86/654299086.db2.gz LMNAWKLWNDGNEQ-CYBMUJFWSA-N 1 2 383.587 2.259 20 0 GEADLO COc1cccc(-c2csc(C[NH+]3CCC(NS(C)(=O)=O)CC3)n2)c1 ZINC000891543163 654300148 /nfs/dbraw/zinc/30/01/48/654300148.db2.gz PUYJPHNATWBEJN-UHFFFAOYSA-N 1 2 381.523 2.332 20 0 GEADLO CCC[N@H+](C)[C@H](CNC(=O)C[C@@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000804127822 654301264 /nfs/dbraw/zinc/30/12/64/654301264.db2.gz BAZBPHBTUBLTGU-KGLIPLIRSA-N 1 2 382.917 2.396 20 0 GEADLO CCC[N@@H+](C)[C@H](CNC(=O)C[C@@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000804127822 654301268 /nfs/dbraw/zinc/30/12/68/654301268.db2.gz BAZBPHBTUBLTGU-KGLIPLIRSA-N 1 2 382.917 2.396 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000891608039 654302390 /nfs/dbraw/zinc/30/23/90/654302390.db2.gz VZMCQSCKTZROGL-UHFFFAOYSA-N 1 2 379.448 2.326 20 0 GEADLO O=C(NCC1C[NH+](C[C@@H](O)c2cccc(Br)c2)C1)C(F)(F)F ZINC000871991939 654303946 /nfs/dbraw/zinc/30/39/46/654303946.db2.gz PDSJQICAKMRPOZ-GFCCVEGCSA-N 1 2 381.192 2.093 20 0 GEADLO Cn1c[nH+]cc1CCN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000853664467 654313887 /nfs/dbraw/zinc/31/38/87/654313887.db2.gz RUSUFZMEKHXYHT-AWEZNQCLSA-N 1 2 383.271 2.254 20 0 GEADLO Cc1nc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)sc1Br ZINC000921800372 654324968 /nfs/dbraw/zinc/32/49/68/654324968.db2.gz CMDSFGCBEKYREB-GZMMTYOYSA-N 1 2 384.303 2.231 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCCSC[C@@H]1C1CC1 ZINC000892258664 654336954 /nfs/dbraw/zinc/33/69/54/654336954.db2.gz DOKDVCQUTNUAPH-AEFFLSMTSA-N 1 2 385.599 2.121 20 0 GEADLO CC(C)(CNC(=O)[C@@]1(C)CC1(Br)Br)[NH+]1CCOCC1 ZINC000854240405 654346142 /nfs/dbraw/zinc/34/61/42/654346142.db2.gz KZBFWVKMOJMEKT-GFCCVEGCSA-N 1 2 398.139 2.110 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNc2ncnc3c2c(Br)nn3C(C)(C)C)C1 ZINC000892467167 654347510 /nfs/dbraw/zinc/34/75/10/654347510.db2.gz GWFOEPYTARMPSH-NSHDSACASA-N 1 2 396.337 2.002 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNc2ncnc3c2c(Br)nn3C(C)(C)C)C1 ZINC000892467167 654347514 /nfs/dbraw/zinc/34/75/14/654347514.db2.gz GWFOEPYTARMPSH-NSHDSACASA-N 1 2 396.337 2.002 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC[S@@](=O)CC(F)(F)F)c1C ZINC000854305781 654349363 /nfs/dbraw/zinc/34/93/63/654349363.db2.gz BLDNVYANZXVKLH-RUZDIDTESA-N 1 2 381.420 2.159 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC[N@@H+]1CC(C)(C)O ZINC000872475076 654349541 /nfs/dbraw/zinc/34/95/41/654349541.db2.gz JBUWHLBFPRUYEP-LLVKDONJSA-N 1 2 380.432 2.229 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC[N@H+]1CC(C)(C)O ZINC000872475076 654349542 /nfs/dbraw/zinc/34/95/42/654349542.db2.gz JBUWHLBFPRUYEP-LLVKDONJSA-N 1 2 380.432 2.229 20 0 GEADLO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ncccc1Br ZINC000922026753 654356956 /nfs/dbraw/zinc/35/69/56/654356956.db2.gz RYNJYMPSRXVECI-LBPRGKRZSA-N 1 2 376.320 2.195 20 0 GEADLO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ncccc1Br ZINC000922026753 654356962 /nfs/dbraw/zinc/35/69/62/654356962.db2.gz RYNJYMPSRXVECI-LBPRGKRZSA-N 1 2 376.320 2.195 20 0 GEADLO C[C@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1(Br)Br ZINC000854418629 654359815 /nfs/dbraw/zinc/35/98/15/654359815.db2.gz AALUQHRZRFORHX-LDYMZIIASA-N 1 2 377.080 2.210 20 0 GEADLO C[N@H+](CN1C(=O)C[C@]2(CCc3cc(Br)ccc32)C1=O)[C@@H]1CCOC1 ZINC000872578038 654374751 /nfs/dbraw/zinc/37/47/51/654374751.db2.gz YBCGJJGKKYMSFX-KDOFPFPSSA-N 1 2 393.281 2.070 20 0 GEADLO C[N@@H+](CN1C(=O)C[C@]2(CCc3cc(Br)ccc32)C1=O)[C@@H]1CCOC1 ZINC000872578038 654374754 /nfs/dbraw/zinc/37/47/54/654374754.db2.gz YBCGJJGKKYMSFX-KDOFPFPSSA-N 1 2 393.281 2.070 20 0 GEADLO CCc1nnc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)s1 ZINC000893212086 654389410 /nfs/dbraw/zinc/38/94/10/654389410.db2.gz ZMEFYALXDQFAPR-UHFFFAOYSA-N 1 2 380.539 2.316 20 0 GEADLO O=C(CCc1ccccc1)N1CCC[N@@H+](CC[S@@](=O)C(F)(F)F)CC1 ZINC000905940841 654392486 /nfs/dbraw/zinc/39/24/86/654392486.db2.gz RJGHVXAGDJECCJ-RUZDIDTESA-N 1 2 376.444 2.422 20 0 GEADLO O=C(CCc1ccccc1)N1CCC[N@H+](CC[S@@](=O)C(F)(F)F)CC1 ZINC000905940841 654392490 /nfs/dbraw/zinc/39/24/90/654392490.db2.gz RJGHVXAGDJECCJ-RUZDIDTESA-N 1 2 376.444 2.422 20 0 GEADLO FC(F)(F)Cc1ncc(CNc2cnn(CC[NH+]3CCOCC3)c2)s1 ZINC000893245894 654393290 /nfs/dbraw/zinc/39/32/90/654393290.db2.gz JRXGYSSGTRBZIP-UHFFFAOYSA-N 1 2 375.420 2.389 20 0 GEADLO COc1c(Cl)cc(Cl)cc1C[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000922492249 654397402 /nfs/dbraw/zinc/39/74/02/654397402.db2.gz MRWUUSRBKHIUJE-UHFFFAOYSA-N 1 2 389.326 2.149 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000893380536 654399287 /nfs/dbraw/zinc/39/92/87/654399287.db2.gz RXYZOBJEWXXLDA-ZYHUDNBSSA-N 1 2 399.314 2.147 20 0 GEADLO O=C(NCc1ccc(O)c(Cl)c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000872849393 654400377 /nfs/dbraw/zinc/40/03/77/654400377.db2.gz MZAKIJSMRPLBHV-QGZVFWFLSA-N 1 2 385.917 2.053 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1Br ZINC000922577164 654401853 /nfs/dbraw/zinc/40/18/53/654401853.db2.gz MVUWYIUNSZMXHD-AWEZNQCLSA-N 1 2 397.298 2.127 20 0 GEADLO O=C(NCC[S@@](=O)CC(F)(F)F)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000855272296 654406008 /nfs/dbraw/zinc/40/60/08/654406008.db2.gz GXGZLPVXMNKESG-ODCWNRFASA-N 1 2 376.444 2.468 20 0 GEADLO O=C(NCC[S@@](=O)CC(F)(F)F)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000855272296 654406013 /nfs/dbraw/zinc/40/60/13/654406013.db2.gz GXGZLPVXMNKESG-ODCWNRFASA-N 1 2 376.444 2.468 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000906066010 654412588 /nfs/dbraw/zinc/41/25/88/654412588.db2.gz WVQKQJAONAIGFG-QFIPXVFZSA-N 1 2 377.557 2.010 20 0 GEADLO COCC[C@@H](CO)Nc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC000893673820 654414443 /nfs/dbraw/zinc/41/44/43/654414443.db2.gz QZHBZSBSNJLZEL-LBPRGKRZSA-N 1 2 392.257 2.387 20 0 GEADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCc2cccc(Br)c21 ZINC000906108356 654416842 /nfs/dbraw/zinc/41/68/42/654416842.db2.gz LUHHUFBHVXVRFK-ZBFHGGJFSA-N 1 2 395.297 2.218 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)CC2(Br)Br)[C@@H](C)CO1 ZINC000855407516 654417071 /nfs/dbraw/zinc/41/70/71/654417071.db2.gz MIZBHMPTVQDVPX-UMNHJUIQSA-N 1 2 398.139 2.108 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)CC2(Br)Br)[C@@H](C)CO1 ZINC000855407516 654417074 /nfs/dbraw/zinc/41/70/74/654417074.db2.gz MIZBHMPTVQDVPX-UMNHJUIQSA-N 1 2 398.139 2.108 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Cl)ncc2Br)[C@@H](C)CO1 ZINC000855408818 654417646 /nfs/dbraw/zinc/41/76/46/654417646.db2.gz YTQOTZMURUIWJI-VHSXEESVSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Cl)ncc2Br)[C@@H](C)CO1 ZINC000855408818 654417651 /nfs/dbraw/zinc/41/76/51/654417651.db2.gz YTQOTZMURUIWJI-VHSXEESVSA-N 1 2 376.682 2.337 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000893877899 654428970 /nfs/dbraw/zinc/42/89/70/654428970.db2.gz MIMPHHVSZVDDKR-UHFFFAOYSA-N 1 2 382.258 2.482 20 0 GEADLO CCn1cc(CNc2ccc(N3CC[NH+](C)CC3)c(Br)c2)nn1 ZINC000893946130 654432984 /nfs/dbraw/zinc/43/29/84/654432984.db2.gz QWVLFWYZMIENAB-UHFFFAOYSA-N 1 2 379.306 2.424 20 0 GEADLO C[C@H]1CCN(Cc2c(I)cnn2C)C[C@H]1n1cc[nH+]c1 ZINC000894095691 654446527 /nfs/dbraw/zinc/44/65/27/654446527.db2.gz SKAFWZYSPCJMAT-WCQYABFASA-N 1 2 385.253 2.304 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NCc3ncc(Br)cc3O)cc2C1 ZINC000894112255 654447700 /nfs/dbraw/zinc/44/77/00/654447700.db2.gz DCPIUSQJJIJIJO-UHFFFAOYSA-N 1 2 391.269 2.005 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NCc3ncc(Br)cc3O)cc2C1 ZINC000894112255 654447701 /nfs/dbraw/zinc/44/77/01/654447701.db2.gz DCPIUSQJJIJIJO-UHFFFAOYSA-N 1 2 391.269 2.005 20 0 GEADLO CN(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1cn(C)nc1I ZINC000894201048 654455088 /nfs/dbraw/zinc/45/50/88/654455088.db2.gz ZXEPYRIXMSJEAB-OAHLLOKOSA-N 1 2 398.292 2.287 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)c1cnnn1-c1ccccc1Br ZINC000906676645 654459293 /nfs/dbraw/zinc/45/92/93/654459293.db2.gz OBLGCXNHZVVNLV-UHFFFAOYSA-N 1 2 389.257 2.437 20 0 GEADLO C[C@H](CNC(=O)Cc1cc(Br)ccc1Cl)[NH+]1CCN(C)CC1 ZINC000906684226 654459662 /nfs/dbraw/zinc/45/96/62/654459662.db2.gz YVFCVJGUKXKWJB-GFCCVEGCSA-N 1 2 388.737 2.397 20 0 GEADLO COc1cc(F)cc(C[NH2+]Cc2cn(C)nc2I)c1 ZINC000894361840 654469306 /nfs/dbraw/zinc/46/93/06/654469306.db2.gz NFJWCKRJJQHYIK-UHFFFAOYSA-N 1 2 375.185 2.462 20 0 GEADLO CCc1nn(C)c(CC)c1C[NH2+]Cc1cn(C)nc1I ZINC000894359187 654469449 /nfs/dbraw/zinc/46/94/49/654469449.db2.gz NFRKFEBNDQBOGG-UHFFFAOYSA-N 1 2 387.269 2.173 20 0 GEADLO Cn1nc(Br)nc1C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000894358994 654469485 /nfs/dbraw/zinc/46/94/85/654469485.db2.gz LKBWZKCRQHBNFH-FZMZJTMJSA-N 1 2 398.692 2.293 20 0 GEADLO NC(=O)[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3-c2cccc(Br)c2)C1 ZINC000894389731 654472059 /nfs/dbraw/zinc/47/20/59/654472059.db2.gz WITOHKXZMYTIMN-JGZJWPJOSA-N 1 2 387.241 2.254 20 0 GEADLO COCC[C@@H]([NH2+]Cc1c(I)cnn1C)c1ccco1 ZINC000894430644 654475445 /nfs/dbraw/zinc/47/54/45/654475445.db2.gz HVONJRYOLFLEJB-LLVKDONJSA-N 1 2 375.210 2.485 20 0 GEADLO O=S(=O)(NCCc1cn2c([nH+]1)CCCC2)c1c[nH]c2ncc(Cl)cc12 ZINC000906827883 654477012 /nfs/dbraw/zinc/47/70/12/654477012.db2.gz FGLXPSLDZACRQR-UHFFFAOYSA-N 1 2 379.873 2.270 20 0 GEADLO Cn1ncc(I)c1C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000894659783 654492926 /nfs/dbraw/zinc/49/29/26/654492926.db2.gz BWHJNOBALKXAIG-MRXNPFEDSA-N 1 2 397.260 2.338 20 0 GEADLO O=S(=O)(N[C@@H]1CCn2cc[nH+]c2C1)c1c[nH]c2cc(Br)ccc21 ZINC000907137235 654513454 /nfs/dbraw/zinc/51/34/54/654513454.db2.gz OCCXWXLHMLEBST-LLVKDONJSA-N 1 2 395.282 2.420 20 0 GEADLO C[C@@H]1CN(C(=O)NCc2nc(C[NH+](C)C)cs2)C[C@@H](CC(F)(F)F)O1 ZINC000924785611 654524771 /nfs/dbraw/zinc/52/47/71/654524771.db2.gz ONMUKNSNYFIUAB-ZYHUDNBSSA-N 1 2 380.436 2.456 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)oc1Cl ZINC000907267633 654525269 /nfs/dbraw/zinc/52/52/69/654525269.db2.gz DZYBRWQOAVUYQV-RYUDHWBXSA-N 1 2 376.862 2.015 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cnn(C)n3)C2=O)ccc1Br ZINC000926183678 654562916 /nfs/dbraw/zinc/56/29/16/654562916.db2.gz ORDHNFYBDVDQLT-FZMZJTMJSA-N 1 2 378.274 2.342 20 0 GEADLO COc1cc(Br)cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000926289691 654566666 /nfs/dbraw/zinc/56/66/66/654566666.db2.gz CNSMTBRVHSUXOR-CVEARBPZSA-N 1 2 398.301 2.072 20 0 GEADLO COc1cc(Br)cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000926289691 654566670 /nfs/dbraw/zinc/56/66/70/654566670.db2.gz CNSMTBRVHSUXOR-CVEARBPZSA-N 1 2 398.301 2.072 20 0 GEADLO COc1cc(Br)cc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000926292318 654566983 /nfs/dbraw/zinc/56/69/83/654566983.db2.gz ZQUFIUONKPWLBD-HNNXBMFYSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@H]([NH2+]Cc1nn(C)cc1I)C1(Br)CC1 ZINC000926540760 654574419 /nfs/dbraw/zinc/57/44/19/654574419.db2.gz LTUXZUJPHWXFPC-ZETCQYMHSA-N 1 2 384.059 2.430 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)NCC(C)(C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000926741545 654581296 /nfs/dbraw/zinc/58/12/96/654581296.db2.gz OFWPGYYSFVWZTF-OAHLLOKOSA-N 1 2 389.949 2.313 20 0 GEADLO CCC(CC)[C@@H](C(=O)N(C)Cc1ncc(Br)cn1)[NH+]1CCOCC1 ZINC000926976913 654586875 /nfs/dbraw/zinc/58/68/75/654586875.db2.gz FLSLPXVZKUBKIJ-INIZCTEOSA-N 1 2 399.333 2.335 20 0 GEADLO Cc1[nH+]c2n(c1C)CCN(C(=O)NCC1(n3cc(Br)cn3)CC1)C2 ZINC000927105522 654592421 /nfs/dbraw/zinc/59/24/21/654592421.db2.gz RUQATWFNMRVNDK-UHFFFAOYSA-N 1 2 393.289 2.173 20 0 GEADLO O=C(NCc1nc2c(s1)COCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000927684859 654610334 /nfs/dbraw/zinc/61/03/34/654610334.db2.gz ISSUPCFOLZUILO-UHFFFAOYSA-N 1 2 378.523 2.305 20 0 GEADLO Cc1nc(-c2cnn(C)c2)sc1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927768104 654613020 /nfs/dbraw/zinc/61/30/20/654613020.db2.gz NGIOLDKARQBGCW-UHFFFAOYSA-N 1 2 376.511 2.300 20 0 GEADLO O=C(c1ccccc1Cl)C1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000908216580 654613774 /nfs/dbraw/zinc/61/37/74/654613774.db2.gz DIWSILXLKBJQRL-UHFFFAOYSA-N 1 2 381.885 2.461 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CCO1 ZINC000909702167 654671954 /nfs/dbraw/zinc/67/19/54/654671954.db2.gz HIDDZYDQIQJGRK-AAEUAGOBSA-N 1 2 397.269 2.139 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CCO1 ZINC000909702167 654671960 /nfs/dbraw/zinc/67/19/60/654671960.db2.gz HIDDZYDQIQJGRK-AAEUAGOBSA-N 1 2 397.269 2.139 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC000929200426 654675539 /nfs/dbraw/zinc/67/55/39/654675539.db2.gz ICWQUKFDKUTZMO-DVOMOZLQSA-N 1 2 383.945 2.459 20 0 GEADLO Cc1[nH]nc(Br)c1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000929471982 654685186 /nfs/dbraw/zinc/68/51/86/654685186.db2.gz AUIQQAFCZPRNKA-CQSZACIVSA-N 1 2 393.285 2.111 20 0 GEADLO Cc1[nH]nc(Br)c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000929471982 654685188 /nfs/dbraw/zinc/68/51/88/654685188.db2.gz AUIQQAFCZPRNKA-CQSZACIVSA-N 1 2 393.285 2.111 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@H]2CCCc3sccc32)n1 ZINC000929951445 654695767 /nfs/dbraw/zinc/69/57/67/654695767.db2.gz REWFKJJTJPRLQS-ZDUSSCGKSA-N 1 2 378.523 2.076 20 0 GEADLO O=C(c1cc(Br)c(C(F)(F)F)cc1F)N1CC[NH+](CCO)CC1 ZINC000930036339 654697962 /nfs/dbraw/zinc/69/79/62/654697962.db2.gz VNISZOKSRUHXHU-UHFFFAOYSA-N 1 2 399.182 2.357 20 0 GEADLO COC(=O)c1ccc(Br)c(C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000930284312 654704153 /nfs/dbraw/zinc/70/41/53/654704153.db2.gz VBJMENGHEWIWJH-UHFFFAOYSA-N 1 2 395.257 2.439 20 0 GEADLO OC1(c2scnc2Br)CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1 ZINC000930306274 654705366 /nfs/dbraw/zinc/70/53/66/654705366.db2.gz SODZTHCHWSQXRH-NSHDSACASA-N 1 2 389.315 2.137 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(C)Cc1cscc1Br ZINC000910692699 654706598 /nfs/dbraw/zinc/70/65/98/654706598.db2.gz MDDDTZDVWNRZCI-UHFFFAOYSA-N 1 2 399.314 2.214 20 0 GEADLO Cn1nc(C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)cc1C(F)(F)F ZINC000930902191 654723328 /nfs/dbraw/zinc/72/33/28/654723328.db2.gz RRKXTJHHUWOJDN-AWEZNQCLSA-N 1 2 378.464 2.079 20 0 GEADLO Cn1nc(C[N@@H+](CCN2CCOCC2)[C@H]2CCSC2)cc1C(F)(F)F ZINC000930902191 654723332 /nfs/dbraw/zinc/72/33/32/654723332.db2.gz RRKXTJHHUWOJDN-AWEZNQCLSA-N 1 2 378.464 2.079 20 0 GEADLO CC1(C)[C@H](NC(=O)c2cc(Br)cc(C=O)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000911841185 654733803 /nfs/dbraw/zinc/73/38/03/654733803.db2.gz ABXJAMALVMSNCB-CVEARBPZSA-N 1 2 395.297 2.491 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc3nccnc3c2Br)CCO1 ZINC000931389620 654740641 /nfs/dbraw/zinc/74/06/41/654740641.db2.gz HJJGKUQTIVZECR-LLVKDONJSA-N 1 2 394.273 2.235 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc3nccnc3c2Br)CCO1 ZINC000931389620 654740645 /nfs/dbraw/zinc/74/06/45/654740645.db2.gz HJJGKUQTIVZECR-LLVKDONJSA-N 1 2 394.273 2.235 20 0 GEADLO CC(C)n1cc(Br)c(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000912048929 654741067 /nfs/dbraw/zinc/74/10/67/654741067.db2.gz SALWPYMUHZGRKC-RWMBFGLXSA-N 1 2 387.322 2.454 20 0 GEADLO CC(C)n1cc(Br)c(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000912048929 654741069 /nfs/dbraw/zinc/74/10/69/654741069.db2.gz SALWPYMUHZGRKC-RWMBFGLXSA-N 1 2 387.322 2.454 20 0 GEADLO C/C(=C/C(=O)N1CCOc2cccc(Br)c2C1)C[NH+]1CCOCC1 ZINC000912061120 654741601 /nfs/dbraw/zinc/74/16/01/654741601.db2.gz YJDYNNIFZJFELU-KAMYIIQDSA-N 1 2 395.297 2.449 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000931416217 654741880 /nfs/dbraw/zinc/74/18/80/654741880.db2.gz SIOPCUCEBZSRNB-UHFFFAOYSA-N 1 2 385.306 2.203 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)n1 ZINC000931416217 654741884 /nfs/dbraw/zinc/74/18/84/654741884.db2.gz SIOPCUCEBZSRNB-UHFFFAOYSA-N 1 2 385.306 2.203 20 0 GEADLO CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C[C@H]([NH3+])C(F)F)c1 ZINC000912112992 654743135 /nfs/dbraw/zinc/74/31/35/654743135.db2.gz KJBNDAKRLCBKOW-ZDUSSCGKSA-N 1 2 377.457 2.255 20 0 GEADLO CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C[C@@H]([NH3+])C(F)F)c1 ZINC000912112991 654743190 /nfs/dbraw/zinc/74/31/90/654743190.db2.gz KJBNDAKRLCBKOW-CYBMUJFWSA-N 1 2 377.457 2.255 20 0 GEADLO C/C(=C/C(=O)N[C@@](C)(CO)c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000912173329 654745091 /nfs/dbraw/zinc/74/50/91/654745091.db2.gz IHKJSFBHQZKFOZ-RMHQSFGDSA-N 1 2 397.313 2.051 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000931580924 654747653 /nfs/dbraw/zinc/74/76/53/654747653.db2.gz QGPZASQOTYFUIS-RYUDHWBXSA-N 1 2 380.436 2.465 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000931580922 654747709 /nfs/dbraw/zinc/74/77/09/654747709.db2.gz QGPZASQOTYFUIS-NEPJUHHUSA-N 1 2 380.436 2.465 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)C(=O)N2CCC[C@@H]2c2ccsc2)n1 ZINC000931655059 654751464 /nfs/dbraw/zinc/75/14/64/654751464.db2.gz OCMCNACAVOEIBU-CQSZACIVSA-N 1 2 378.523 2.246 20 0 GEADLO CN(Cc1cccc(Cl)c1)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931659038 654751662 /nfs/dbraw/zinc/75/16/62/654751662.db2.gz SJYWAPOCTQNKRV-UHFFFAOYSA-N 1 2 380.901 2.133 20 0 GEADLO COC1(OC)CCOC[C@H]1[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000931664522 654751997 /nfs/dbraw/zinc/75/19/97/654751997.db2.gz AABRFXDNMBSSHU-CQSZACIVSA-N 1 2 398.308 2.135 20 0 GEADLO COc1ccccc1COC[C@@H](O)C[N@H+](C)Cc1ncc(Br)cn1 ZINC000931870382 654759930 /nfs/dbraw/zinc/75/99/30/654759930.db2.gz GETNVZROFAORHK-HNNXBMFYSA-N 1 2 396.285 2.257 20 0 GEADLO COc1ccccc1COC[C@@H](O)C[N@@H+](C)Cc1ncc(Br)cn1 ZINC000931870382 654759935 /nfs/dbraw/zinc/75/99/35/654759935.db2.gz GETNVZROFAORHK-HNNXBMFYSA-N 1 2 396.285 2.257 20 0 GEADLO COc1cccc(COC[C@H](O)C[N@H+](C)Cc2ncc(Br)cn2)c1 ZINC000931872174 654760062 /nfs/dbraw/zinc/76/00/62/654760062.db2.gz XNQYMSQTKUHFNY-OAHLLOKOSA-N 1 2 396.285 2.257 20 0 GEADLO COc1cccc(COC[C@H](O)C[N@@H+](C)Cc2ncc(Br)cn2)c1 ZINC000931872174 654760064 /nfs/dbraw/zinc/76/00/64/654760064.db2.gz XNQYMSQTKUHFNY-OAHLLOKOSA-N 1 2 396.285 2.257 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931910081 654761375 /nfs/dbraw/zinc/76/13/75/654761375.db2.gz BOTZAKYDZCVULD-ZDUSSCGKSA-N 1 2 389.411 2.109 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931910081 654761376 /nfs/dbraw/zinc/76/13/76/654761376.db2.gz BOTZAKYDZCVULD-ZDUSSCGKSA-N 1 2 389.411 2.109 20 0 GEADLO O=S(=O)(CC[N@@H+]1CC[C@@H](C2OCCO2)C1)c1cc(Cl)ccc1Cl ZINC000932012136 654764181 /nfs/dbraw/zinc/76/41/81/654764181.db2.gz NHXDQPIIHONMKC-LLVKDONJSA-N 1 2 380.293 2.462 20 0 GEADLO O=S(=O)(CC[N@H+]1CC[C@@H](C2OCCO2)C1)c1cc(Cl)ccc1Cl ZINC000932012136 654764183 /nfs/dbraw/zinc/76/41/83/654764183.db2.gz NHXDQPIIHONMKC-LLVKDONJSA-N 1 2 380.293 2.462 20 0 GEADLO Cn1ccc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000932136040 654767970 /nfs/dbraw/zinc/76/79/70/654767970.db2.gz HDWUCPFVOKTPJN-LBPRGKRZSA-N 1 2 378.274 2.396 20 0 GEADLO Cn1ccc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000932136040 654767974 /nfs/dbraw/zinc/76/79/74/654767974.db2.gz HDWUCPFVOKTPJN-LBPRGKRZSA-N 1 2 378.274 2.396 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2c3c(ccc2Br)OCC3)CCO1 ZINC000932216737 654770950 /nfs/dbraw/zinc/77/09/50/654770950.db2.gz FIWXSCJECDFKFA-LLVKDONJSA-N 1 2 384.274 2.226 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2c3c(ccc2Br)OCC3)CCO1 ZINC000932216737 654770953 /nfs/dbraw/zinc/77/09/53/654770953.db2.gz FIWXSCJECDFKFA-LLVKDONJSA-N 1 2 384.274 2.226 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3c(Br)cnn3C)C2)s1 ZINC000932670073 654784986 /nfs/dbraw/zinc/78/49/86/654784986.db2.gz CBSMGVWXRAVZMR-VIFPVBQESA-N 1 2 385.287 2.415 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3c(Br)cnn3C)C2)s1 ZINC000932670073 654784988 /nfs/dbraw/zinc/78/49/88/654784988.db2.gz CBSMGVWXRAVZMR-VIFPVBQESA-N 1 2 385.287 2.415 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)nc3)C2)s1 ZINC000932670611 654785172 /nfs/dbraw/zinc/78/51/72/654785172.db2.gz HSQAGMBQWXHQDE-JTQLQIEISA-N 1 2 380.857 2.406 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)nc3)C2)s1 ZINC000932670611 654785174 /nfs/dbraw/zinc/78/51/74/654785174.db2.gz HSQAGMBQWXHQDE-JTQLQIEISA-N 1 2 380.857 2.406 20 0 GEADLO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000932815693 654791906 /nfs/dbraw/zinc/79/19/06/654791906.db2.gz IETDHDPVUAKZPR-MRXNPFEDSA-N 1 2 383.265 2.494 20 0 GEADLO O[C@]1(c2ccc(Br)cc2)CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000932815693 654791909 /nfs/dbraw/zinc/79/19/09/654791909.db2.gz IETDHDPVUAKZPR-MRXNPFEDSA-N 1 2 383.265 2.494 20 0 GEADLO O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913444507 654792202 /nfs/dbraw/zinc/79/22/02/654792202.db2.gz XPXGLRDATIXUCZ-OAHLLOKOSA-N 1 2 389.253 2.121 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N1CC(n2cc[nH+]c2)C1 ZINC000932827711 654792710 /nfs/dbraw/zinc/79/27/10/654792710.db2.gz WYJFTRGVNRMGTR-GFCCVEGCSA-N 1 2 375.226 2.155 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)Cc3ccc(Br)cc3F)CC[NH2+]2)cn1 ZINC000913457648 654793066 /nfs/dbraw/zinc/79/30/66/654793066.db2.gz VJFSHKKXSOCTMD-OAHLLOKOSA-N 1 2 381.249 2.037 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)Cc3cc(Br)ccc3F)CC[NH2+]2)cn1 ZINC000913466805 654794329 /nfs/dbraw/zinc/79/43/29/654794329.db2.gz IIVVCAWQVLNUQD-HNNXBMFYSA-N 1 2 381.249 2.037 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3c(F)cc(Br)cc3F)CC[NH2+]2)cn1 ZINC000913469448 654794636 /nfs/dbraw/zinc/79/46/36/654794636.db2.gz ZTMAWCSOXAEMPQ-ZDUSSCGKSA-N 1 2 385.212 2.248 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)C3(c4ccc(Br)cc4)CC3)CC[NH2+]2)cn1 ZINC000913473356 654794645 /nfs/dbraw/zinc/79/46/45/654794645.db2.gz RDWICFVKYFPDHR-INIZCTEOSA-N 1 2 389.297 2.387 20 0 GEADLO CO[C@@H](C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1)c1ccc(Br)s1 ZINC000913476468 654794809 /nfs/dbraw/zinc/79/48/09/654794809.db2.gz YEKYGRMJSXINGS-SMDDNHRTSA-N 1 2 399.314 2.105 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C[C@H]1CO ZINC000913549931 654797603 /nfs/dbraw/zinc/79/76/03/654797603.db2.gz JJZIDSKNIIUSRX-LBPRGKRZSA-N 1 2 378.885 2.030 20 0 GEADLO C[N@H+]1CCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C[C@H]1CO ZINC000913549931 654797605 /nfs/dbraw/zinc/79/76/05/654797605.db2.gz JJZIDSKNIIUSRX-LBPRGKRZSA-N 1 2 378.885 2.030 20 0 GEADLO COc1ncc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1Br ZINC000932963852 654798716 /nfs/dbraw/zinc/79/87/16/654798716.db2.gz QJLKTJZDKKBURX-LBPRGKRZSA-N 1 2 399.289 2.100 20 0 GEADLO COc1ncc(NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c(C)c1Br ZINC000932962992 654798860 /nfs/dbraw/zinc/79/88/60/654798860.db2.gz ONPYSFLWMJFYDD-JTQLQIEISA-N 1 2 387.278 2.003 20 0 GEADLO COc1ncc(NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)c(C)c1Br ZINC000932962992 654798862 /nfs/dbraw/zinc/79/88/62/654798862.db2.gz ONPYSFLWMJFYDD-JTQLQIEISA-N 1 2 387.278 2.003 20 0 GEADLO C[C@H](CNC(=O)[C@](C)(O)c1ccc(F)c(Br)c1)Cn1cc[nH+]c1 ZINC000933299908 654807087 /nfs/dbraw/zinc/80/70/87/654807087.db2.gz XLVBUHSHFRMVNU-BDJLRTHQSA-N 1 2 384.249 2.445 20 0 GEADLO CC(C)S(=O)(=O)CCC[NH2+]C1(c2ncc(Br)cn2)CCC1 ZINC000933320937 654808610 /nfs/dbraw/zinc/80/86/10/654808610.db2.gz MEUGBWXUSUIFKI-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)Cc1cccc(F)c1Br ZINC000913926442 654816444 /nfs/dbraw/zinc/81/64/44/654816444.db2.gz COJAHPRMLVLXTG-JTQLQIEISA-N 1 2 376.251 2.293 20 0 GEADLO C[C@@](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)(C1CC1)C(F)(F)F ZINC000933593761 654817599 /nfs/dbraw/zinc/81/75/99/654817599.db2.gz VACQSPIACSDBOE-CABCVRRESA-N 1 2 381.464 2.225 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000933658820 654819217 /nfs/dbraw/zinc/81/92/17/654819217.db2.gz HMAAWOQTMKIDTC-ZDUSSCGKSA-N 1 2 397.317 2.299 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cc(Br)cc(F)c2F)C[C@H]1CS(N)(=O)=O ZINC000933694985 654820574 /nfs/dbraw/zinc/82/05/74/654820574.db2.gz BKPUGXOIXQKQEU-SCZZXKLOSA-N 1 2 383.258 2.084 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2F)C[C@H]1CS(N)(=O)=O ZINC000933694985 654820576 /nfs/dbraw/zinc/82/05/76/654820576.db2.gz BKPUGXOIXQKQEU-SCZZXKLOSA-N 1 2 383.258 2.084 20 0 GEADLO FC(F)(F)c1ccnc([C@@H]2CC[N@H+](CCn3cnc(Br)n3)C2)n1 ZINC000933717414 654821120 /nfs/dbraw/zinc/82/11/20/654821120.db2.gz XRSHJSYULGWVBI-SECBINFHSA-N 1 2 391.195 2.339 20 0 GEADLO FC(F)(F)c1ccnc([C@@H]2CC[N@@H+](CCn3cnc(Br)n3)C2)n1 ZINC000933717414 654821122 /nfs/dbraw/zinc/82/11/22/654821122.db2.gz XRSHJSYULGWVBI-SECBINFHSA-N 1 2 391.195 2.339 20 0 GEADLO C[C@@H](CNS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000914056356 654823702 /nfs/dbraw/zinc/82/37/02/654823702.db2.gz FIIAWFIBZBUCDJ-BUBHHJDNSA-N 1 2 399.460 2.350 20 0 GEADLO C[C@@H](CNS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)[N@@H+](C)C1CC1 ZINC000914056356 654823705 /nfs/dbraw/zinc/82/37/05/654823705.db2.gz FIIAWFIBZBUCDJ-BUBHHJDNSA-N 1 2 399.460 2.350 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CCCS(=O)(=O)C[C@@H]1C)c1ccsc1 ZINC000914065698 654824409 /nfs/dbraw/zinc/82/44/09/654824409.db2.gz CIYOKURWKYWUIK-HOCLYGCPSA-N 1 2 387.571 2.350 20 0 GEADLO O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000914090348 654825858 /nfs/dbraw/zinc/82/58/58/654825858.db2.gz GBOLMWDZMCKDTR-MCFWBGNESA-N 1 2 397.444 2.058 20 0 GEADLO O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000914090348 654825860 /nfs/dbraw/zinc/82/58/60/654825860.db2.gz GBOLMWDZMCKDTR-MCFWBGNESA-N 1 2 397.444 2.058 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C1OCCO1)c1ccc(Br)cc1 ZINC000933909021 654829630 /nfs/dbraw/zinc/82/96/30/654829630.db2.gz YOAGNONAQUOALI-WFASDCNBSA-N 1 2 383.286 2.464 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1C1OCCO1)c1ccc(Br)cc1 ZINC000933909021 654829633 /nfs/dbraw/zinc/82/96/33/654829633.db2.gz YOAGNONAQUOALI-WFASDCNBSA-N 1 2 383.286 2.464 20 0 GEADLO Cc1c(Br)cncc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000934262539 654841049 /nfs/dbraw/zinc/84/10/49/654841049.db2.gz LCYDFFPMMDJJAU-AAEUAGOBSA-N 1 2 383.290 2.479 20 0 GEADLO O=C(c1ccccc1Cl)C1CC[NH+](CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000934422512 654849667 /nfs/dbraw/zinc/84/96/67/654849667.db2.gz SNBXSGHAZIJYTC-UHFFFAOYSA-N 1 2 385.913 2.174 20 0 GEADLO CC(C)[N@H+](C)CCNS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914407388 654851830 /nfs/dbraw/zinc/85/18/30/654851830.db2.gz JMCUUBAWSDLQOG-HSZRJFAPSA-N 1 2 387.449 2.208 20 0 GEADLO CC(C)[N@@H+](C)CCNS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914407388 654851833 /nfs/dbraw/zinc/85/18/33/654851833.db2.gz JMCUUBAWSDLQOG-HSZRJFAPSA-N 1 2 387.449 2.208 20 0 GEADLO CCOC(=O)/C=C/C[NH2+][C@@H](CO)c1ccccc1I ZINC000934826387 654861601 /nfs/dbraw/zinc/86/16/01/654861601.db2.gz LFRLEEZAEUFIKA-LJLILKBBSA-N 1 2 375.206 2.034 20 0 GEADLO COc1ncc(C[NH2+][C@@H](CO)c2ccccc2I)c(C)n1 ZINC000934826553 654861642 /nfs/dbraw/zinc/86/16/42/654861642.db2.gz DXOZDVPXSYTJNP-AWEZNQCLSA-N 1 2 399.232 2.221 20 0 GEADLO CCCCNC(=O)[C@H](C)[NH2+][C@H](CO)c1ccccc1I ZINC000934828512 654862232 /nfs/dbraw/zinc/86/22/32/654862232.db2.gz AOSYQFJEZPUTJN-SMDDNHRTSA-N 1 2 390.265 2.219 20 0 GEADLO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1I ZINC000934829673 654862838 /nfs/dbraw/zinc/86/28/38/654862838.db2.gz OUTYDUBMEMZFGK-FZMZJTMJSA-N 1 2 390.265 2.171 20 0 GEADLO O=S(=O)(c1cscc1C(F)F)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000915271888 654867032 /nfs/dbraw/zinc/86/70/32/654867032.db2.gz DSEKENGNCIZBGL-LBPRGKRZSA-N 1 2 380.482 2.419 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N[C@H]1CCc2c[nH+]cn2C1 ZINC000935923258 654927481 /nfs/dbraw/zinc/92/74/81/654927481.db2.gz BILLYHOZHDQCSY-FZMZJTMJSA-N 1 2 389.253 2.203 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000935932618 654928124 /nfs/dbraw/zinc/92/81/24/654928124.db2.gz IMPNTMGDYOSGTN-CHWSQXEVSA-N 1 2 397.317 2.298 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)n1 ZINC000935932624 654928272 /nfs/dbraw/zinc/92/82/72/654928272.db2.gz IMPNTMGDYOSGTN-STQMWFEESA-N 1 2 397.317 2.298 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1nc(Br)c2ccccn21 ZINC000935935224 654928620 /nfs/dbraw/zinc/92/86/20/654928620.db2.gz UCSZZAVEZNXEOP-STQMWFEESA-N 1 2 393.285 2.032 20 0 GEADLO Cc1csc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)c1Cl ZINC000997878509 654951023 /nfs/dbraw/zinc/95/10/23/654951023.db2.gz KXJQLYWJAYBSOL-AGIUHOORSA-N 1 2 378.885 2.468 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3c(Cl)nccc3SC)CC2)C1=O ZINC001164640833 719276689 /nfs/dbraw/zinc/27/66/89/719276689.db2.gz QHMRCLSHXKTOGT-UHFFFAOYSA-N 1 2 398.960 2.216 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3c(Cl)nccc3SC)CC2)C1=O ZINC001164640833 719276693 /nfs/dbraw/zinc/27/66/93/719276693.db2.gz QHMRCLSHXKTOGT-UHFFFAOYSA-N 1 2 398.960 2.216 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2)nn1 ZINC001164696953 719844465 /nfs/dbraw/zinc/84/44/65/719844465.db2.gz BHKVYZNGDJNYQT-PGRDOPGGSA-N 1 2 396.491 2.376 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(OCC(C)C)n1 ZINC001164701218 719864357 /nfs/dbraw/zinc/86/43/57/719864357.db2.gz FZHCEYHPYIWUKQ-UWJYYQICSA-N 1 2 391.512 2.349 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccncc2)cn1 ZINC001164701176 719866454 /nfs/dbraw/zinc/86/64/54/719866454.db2.gz FRTGWIVWQHVMAB-KNQAVFIVSA-N 1 2 396.491 2.376 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(C)(C)C)ncn1 ZINC001164701227 719868372 /nfs/dbraw/zinc/86/83/72/719868372.db2.gz GDYSIBJQCHJFBA-FOIQADDNSA-N 1 2 376.501 2.007 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(CSC)ccn1 ZINC001164703840 719875579 /nfs/dbraw/zinc/87/55/79/719875579.db2.gz KVSNWZFCNUXUPC-VQIMIIECSA-N 1 2 379.526 2.177 20 0 GEADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1[C@H](F)Oc1ccc(Cl)nn1 ZINC001164720861 720317749 /nfs/dbraw/zinc/31/77/49/720317749.db2.gz BMWRUOGPAJKXBU-DYVFJYSZSA-N 1 2 396.854 2.275 20 0 GEADLO F[C@@H](Oc1cccc(Cl)n1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164829698 720397552 /nfs/dbraw/zinc/39/75/52/720397552.db2.gz NYUSFVYJGKPHEP-MRXNPFEDSA-N 1 2 377.811 2.109 20 0 GEADLO COC(=O)c1cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)ncc1Cl ZINC001165007544 721695482 /nfs/dbraw/zinc/69/54/82/721695482.db2.gz FAJUPCVPUYPOAN-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO COC(=O)c1cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)ncc1Cl ZINC001165007544 721695485 /nfs/dbraw/zinc/69/54/85/721695485.db2.gz FAJUPCVPUYPOAN-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(C(=O)N3CCCC3)ccn1)C2 ZINC001165008604 721708313 /nfs/dbraw/zinc/70/83/13/721708313.db2.gz IGNBWDKENSLUGV-UHFFFAOYSA-N 1 2 397.527 2.160 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(C(=O)N3CCCC3)ccn1)C2 ZINC001165008604 721708324 /nfs/dbraw/zinc/70/83/24/721708324.db2.gz IGNBWDKENSLUGV-UHFFFAOYSA-N 1 2 397.527 2.160 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccccn3)nn1)C2 ZINC001165009289 721717259 /nfs/dbraw/zinc/71/72/59/721717259.db2.gz SEWIAFOWCLKVRM-UHFFFAOYSA-N 1 2 378.484 2.381 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccccn3)nn1)C2 ZINC001165009289 721717264 /nfs/dbraw/zinc/71/72/64/721717264.db2.gz SEWIAFOWCLKVRM-UHFFFAOYSA-N 1 2 378.484 2.381 20 0 GEADLO CCOC(=O)c1cc(F)cnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164918205 721813247 /nfs/dbraw/zinc/81/32/47/721813247.db2.gz PKTWLIYRFNLKOH-UHFFFAOYSA-N 1 2 387.459 2.343 20 0 GEADLO CCN(CC)c1cc(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)nc[nH+]1 ZINC001164950941 721951309 /nfs/dbraw/zinc/95/13/09/721951309.db2.gz YDSILOZNSFKCLD-ZWKOTPCHSA-N 1 2 386.500 2.017 20 0 GEADLO CSc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nn1 ZINC001164946984 721978447 /nfs/dbraw/zinc/97/84/47/721978447.db2.gz MVXCNDAQQYEIAD-UHFFFAOYSA-N 1 2 383.521 2.170 20 0 GEADLO CSc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nn1 ZINC001164946984 721978450 /nfs/dbraw/zinc/97/84/50/721978450.db2.gz MVXCNDAQQYEIAD-UHFFFAOYSA-N 1 2 383.521 2.170 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cc4ccc(Br)cn4n3)C[C@H]21 ZINC000482050393 531393192 /nfs/dbraw/zinc/39/31/92/531393192.db2.gz PKNDXHRGNZIAOE-ZIAGYGMSSA-N 1 2 394.273 2.034 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cc4ccc(Br)cn4n3)C[C@H]21 ZINC000482050393 531393195 /nfs/dbraw/zinc/39/31/95/531393195.db2.gz PKNDXHRGNZIAOE-ZIAGYGMSSA-N 1 2 394.273 2.034 20 0 GEADLO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000152089631 531530367 /nfs/dbraw/zinc/53/03/67/531530367.db2.gz HXKWHSAHGMOAHA-UHFFFAOYSA-N 1 2 386.677 2.348 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000152272161 531540322 /nfs/dbraw/zinc/54/03/22/531540322.db2.gz BCCPBZDLSSOLDH-DLBZAZTESA-N 1 2 397.313 2.287 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000152272161 531540327 /nfs/dbraw/zinc/54/03/27/531540327.db2.gz BCCPBZDLSSOLDH-DLBZAZTESA-N 1 2 397.313 2.287 20 0 GEADLO O=C(C[N@@H+](CCO)Cc1cccnc1)Nc1ccc(Br)cc1F ZINC000152323941 531542275 /nfs/dbraw/zinc/54/22/75/531542275.db2.gz DPGRWYPOAHRYNQ-UHFFFAOYSA-N 1 2 382.233 2.416 20 0 GEADLO O=C(C[N@H+](CCO)Cc1cccnc1)Nc1ccc(Br)cc1F ZINC000152323941 531542279 /nfs/dbraw/zinc/54/22/79/531542279.db2.gz DPGRWYPOAHRYNQ-UHFFFAOYSA-N 1 2 382.233 2.416 20 0 GEADLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)nn1 ZINC000152465474 531552300 /nfs/dbraw/zinc/55/23/00/531552300.db2.gz ULXOZLGMVDCUTB-UHFFFAOYSA-N 1 2 391.269 2.348 20 0 GEADLO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(Br)cc2O)CC1 ZINC000152571827 531557946 /nfs/dbraw/zinc/55/79/46/531557946.db2.gz LCPYQLVDWGIRCD-CYBMUJFWSA-N 1 2 384.318 2.158 20 0 GEADLO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(Br)cc2O)CC1 ZINC000152571827 531557955 /nfs/dbraw/zinc/55/79/55/531557955.db2.gz LCPYQLVDWGIRCD-CYBMUJFWSA-N 1 2 384.318 2.158 20 0 GEADLO C[C@@H](O)C(=O)N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000152970170 531582207 /nfs/dbraw/zinc/58/22/07/531582207.db2.gz DCFJCPQPLAZRBS-GFCCVEGCSA-N 1 2 378.270 2.022 20 0 GEADLO COc1ccc([C@@H](NC(=O)CSc2nncs2)c2[nH+]ccn2C)cc1 ZINC000023956458 531601212 /nfs/dbraw/zinc/60/12/12/531601212.db2.gz MYZVEURFGSBUKS-CQSZACIVSA-N 1 2 375.479 2.278 20 0 GEADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCCN(C(N)=O)CC2)ccc1Br ZINC000153619543 531604769 /nfs/dbraw/zinc/60/47/69/531604769.db2.gz VPXVMDHFJJXZDM-LBPRGKRZSA-N 1 2 383.290 2.171 20 0 GEADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCCN(C(N)=O)CC2)ccc1Br ZINC000153619543 531604773 /nfs/dbraw/zinc/60/47/73/531604773.db2.gz VPXVMDHFJJXZDM-LBPRGKRZSA-N 1 2 383.290 2.171 20 0 GEADLO COc1sc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc1Br ZINC000154070183 531621742 /nfs/dbraw/zinc/62/17/42/531621742.db2.gz DHFUDYGEIOFBBM-SECBINFHSA-N 1 2 383.333 2.033 20 0 GEADLO COc1sc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc1Br ZINC000154070183 531621750 /nfs/dbraw/zinc/62/17/50/531621750.db2.gz DHFUDYGEIOFBBM-SECBINFHSA-N 1 2 383.333 2.033 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000030131346 531633536 /nfs/dbraw/zinc/63/35/36/531633536.db2.gz CKDJKWSXIQTTNV-UHFFFAOYSA-N 1 2 387.933 2.381 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)Nc2ccc(SC)cc2)CC1 ZINC000030135201 531633569 /nfs/dbraw/zinc/63/35/69/531633569.db2.gz UYOAGFUBIKMMJB-UHFFFAOYSA-N 1 2 385.555 2.141 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000154976241 531647369 /nfs/dbraw/zinc/64/73/69/531647369.db2.gz XUWJVBMEZVJOLF-DZGCQCFKSA-N 1 2 384.274 2.395 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000154976241 531647373 /nfs/dbraw/zinc/64/73/73/531647373.db2.gz XUWJVBMEZVJOLF-DZGCQCFKSA-N 1 2 384.274 2.395 20 0 GEADLO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000154896407 531639766 /nfs/dbraw/zinc/63/97/66/531639766.db2.gz OGVRYFFMQUUJPY-AWEZNQCLSA-N 1 2 392.297 2.452 20 0 GEADLO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000154896407 531639775 /nfs/dbraw/zinc/63/97/75/531639775.db2.gz OGVRYFFMQUUJPY-AWEZNQCLSA-N 1 2 392.297 2.452 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000042533083 531670375 /nfs/dbraw/zinc/67/03/75/531670375.db2.gz FKQOUBVNOQGLKN-LBPRGKRZSA-N 1 2 376.873 2.414 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(I)cc1 ZINC000042510473 531670431 /nfs/dbraw/zinc/67/04/31/531670431.db2.gz PFWJYNUIXUTKHK-NSHDSACASA-N 1 2 385.205 2.071 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cncc(Br)c1 ZINC000032247960 531650406 /nfs/dbraw/zinc/65/04/06/531650406.db2.gz FJZKVUOFESCMCR-KRWDZBQOSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cncc(Br)c1 ZINC000032247960 531650415 /nfs/dbraw/zinc/65/04/15/531650415.db2.gz FJZKVUOFESCMCR-KRWDZBQOSA-N 1 2 390.281 2.475 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(I)cc1 ZINC000042510475 531670734 /nfs/dbraw/zinc/67/07/34/531670734.db2.gz PFWJYNUIXUTKHK-LLVKDONJSA-N 1 2 385.205 2.071 20 0 GEADLO CC[N@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)NCC(=O)OC ZINC000155185494 531662202 /nfs/dbraw/zinc/66/22/02/531662202.db2.gz SSIAHFOZNZNVFM-SNVBAGLBSA-N 1 2 375.238 2.088 20 0 GEADLO CC[N@@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)NCC(=O)OC ZINC000155185494 531662209 /nfs/dbraw/zinc/66/22/09/531662209.db2.gz SSIAHFOZNZNVFM-SNVBAGLBSA-N 1 2 375.238 2.088 20 0 GEADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c(Cl)c1 ZINC000041625414 531665278 /nfs/dbraw/zinc/66/52/78/531665278.db2.gz MJJGSTQEDNFAMB-AWEZNQCLSA-N 1 2 387.933 2.157 20 0 GEADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c(Cl)c1 ZINC000041625414 531665284 /nfs/dbraw/zinc/66/52/84/531665284.db2.gz MJJGSTQEDNFAMB-AWEZNQCLSA-N 1 2 387.933 2.157 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000041639532 531667361 /nfs/dbraw/zinc/66/73/61/531667361.db2.gz GVOVFIMASKAIQZ-UHFFFAOYSA-N 1 2 391.269 2.473 20 0 GEADLO O=S(=O)(NCc1cn2cc(Cl)ccc2[nH+]1)c1ccc2c(c1)OCCO2 ZINC000044790314 531687346 /nfs/dbraw/zinc/68/73/46/531687346.db2.gz LKUWZZRCSKTVGR-UHFFFAOYSA-N 1 2 379.825 2.237 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000044903528 531687561 /nfs/dbraw/zinc/68/75/61/531687561.db2.gz FZYIFPIDVUNHLG-GFCCVEGCSA-N 1 2 391.269 2.194 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)s1 ZINC000044790457 531687854 /nfs/dbraw/zinc/68/78/54/531687854.db2.gz MSYAAYWACIDAQN-UHFFFAOYSA-N 1 2 398.897 2.164 20 0 GEADLO COc1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1OC ZINC000044790434 531688573 /nfs/dbraw/zinc/68/85/73/531688573.db2.gz RAJASTWUCJHWHF-UHFFFAOYSA-N 1 2 381.841 2.483 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000155888181 531705115 /nfs/dbraw/zinc/70/51/15/531705115.db2.gz HGZPZURMWAWOJP-NSHDSACASA-N 1 2 397.722 2.105 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000155888181 531705127 /nfs/dbraw/zinc/70/51/27/531705127.db2.gz HGZPZURMWAWOJP-NSHDSACASA-N 1 2 397.722 2.105 20 0 GEADLO CC[C@@H](NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)c1nccs1 ZINC000156220501 531722774 /nfs/dbraw/zinc/72/27/74/531722774.db2.gz OVHKZRAMRFTJLL-CQSZACIVSA-N 1 2 381.523 2.360 20 0 GEADLO Cc1cccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1Br ZINC000156280651 531726308 /nfs/dbraw/zinc/72/63/08/531726308.db2.gz NJCLIXJQYYHPSG-GFCCVEGCSA-N 1 2 391.331 2.004 20 0 GEADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(Br)o2)C1 ZINC000048056921 531726721 /nfs/dbraw/zinc/72/67/21/531726721.db2.gz FTJYNEGZNQTQPB-LBPRGKRZSA-N 1 2 387.274 2.276 20 0 GEADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(Br)o2)C1 ZINC000048056921 531726727 /nfs/dbraw/zinc/72/67/27/531726727.db2.gz FTJYNEGZNQTQPB-LBPRGKRZSA-N 1 2 387.274 2.276 20 0 GEADLO CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000156294112 531727191 /nfs/dbraw/zinc/72/71/91/531727191.db2.gz WHRAEBOOMSDDFN-JKSUJKDBSA-N 1 2 384.567 2.426 20 0 GEADLO Cn1cc(NC(=O)NCc2cn3ccccc3[nH+]2)cc(Br)c1=O ZINC000156079335 531713647 /nfs/dbraw/zinc/71/36/47/531713647.db2.gz OLUBEZPBJNZNKY-UHFFFAOYSA-N 1 2 376.214 2.117 20 0 GEADLO C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000157551334 531746049 /nfs/dbraw/zinc/74/60/49/531746049.db2.gz ZVSNBPTUMYAKEA-LBPRGKRZSA-N 1 2 390.299 2.229 20 0 GEADLO C[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000157551334 531746058 /nfs/dbraw/zinc/74/60/58/531746058.db2.gz ZVSNBPTUMYAKEA-LBPRGKRZSA-N 1 2 390.299 2.229 20 0 GEADLO CCOc1cc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc(Br)c1OC ZINC000157610402 531749159 /nfs/dbraw/zinc/74/91/59/531749159.db2.gz XBPXQWHEBOZXOK-GFCCVEGCSA-N 1 2 392.315 2.475 20 0 GEADLO CCOc1cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc(Br)c1OC ZINC000157610402 531749167 /nfs/dbraw/zinc/74/91/67/531749167.db2.gz XBPXQWHEBOZXOK-GFCCVEGCSA-N 1 2 392.315 2.475 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)NCCCn1cc[nH+]c1 ZINC000157225178 531733820 /nfs/dbraw/zinc/73/38/20/531733820.db2.gz IWVVURXLQYNLND-UHFFFAOYSA-N 1 2 394.273 2.282 20 0 GEADLO CC(C)(CNC(=O)CSc1ccc(Br)cn1)[NH+]1CCOCC1 ZINC000052915123 531752975 /nfs/dbraw/zinc/75/29/75/531752975.db2.gz HDARJPFOJIGQGW-UHFFFAOYSA-N 1 2 388.331 2.163 20 0 GEADLO Cc1nsc(N2CC[NH+](C[C@H](O)c3ccccc3Br)CC2)n1 ZINC000157871621 531758394 /nfs/dbraw/zinc/75/83/94/531758394.db2.gz GGQKBCNWOYSRGL-AWEZNQCLSA-N 1 2 383.315 2.465 20 0 GEADLO OCCN(CCC[NH+]1CCOCC1)Cc1cc(Br)ccc1F ZINC000157935613 531760989 /nfs/dbraw/zinc/76/09/89/531760989.db2.gz CTEKOKJQIGZAGT-UHFFFAOYSA-N 1 2 375.282 2.105 20 0 GEADLO CCOCCC[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000158290805 531774170 /nfs/dbraw/zinc/77/41/70/531774170.db2.gz ZOFUMWSWOADVQO-UHFFFAOYSA-N 1 2 380.432 2.438 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000055243425 531785294 /nfs/dbraw/zinc/78/52/94/531785294.db2.gz HRWDWNPJCXXPNP-UHFFFAOYSA-N 1 2 383.905 2.246 20 0 GEADLO Cn1cc(S(=O)(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cn1 ZINC000056054035 531804016 /nfs/dbraw/zinc/80/40/16/531804016.db2.gz KUSMKAXPDYJVJU-HNNXBMFYSA-N 1 2 386.880 2.328 20 0 GEADLO CC(C)(CNC(=O)NCCc1ccccc1Br)[NH+]1CCOCC1 ZINC000061020705 531848832 /nfs/dbraw/zinc/84/88/32/531848832.db2.gz GFZHGGIMICBZBH-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO Cc1cc(Cl)c(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1Cl ZINC000162897352 531853676 /nfs/dbraw/zinc/85/36/76/531853676.db2.gz SATQXTWRCKLOAK-UHFFFAOYSA-N 1 2 388.295 2.467 20 0 GEADLO CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c[nH+]1 ZINC000061381462 531853728 /nfs/dbraw/zinc/85/37/28/531853728.db2.gz FLJIOHDBCGBOQD-UHFFFAOYSA-N 1 2 382.873 2.103 20 0 GEADLO CC(C)CCN(CCC(C)C)S(=O)(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000060497139 531844926 /nfs/dbraw/zinc/84/49/26/531844926.db2.gz XPIJJUFZLFPWLE-UHFFFAOYSA-N 1 2 377.595 2.326 20 0 GEADLO CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000162636324 531845631 /nfs/dbraw/zinc/84/56/31/531845631.db2.gz CUEZNJBBGFRXAJ-UHFFFAOYSA-N 1 2 395.232 2.304 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN([C@H](C(N)=O)c3cccc(Br)c3)CC2)S1 ZINC000163587162 531860545 /nfs/dbraw/zinc/86/05/45/531860545.db2.gz HQGIBFGWVIHINP-RISCZKNCSA-N 1 2 397.342 2.084 20 0 GEADLO O=C(CCSCc1ccccn1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000063915735 531862869 /nfs/dbraw/zinc/86/28/69/531862869.db2.gz ZXLWWGXGEWKDMY-SFHVURJKSA-N 1 2 381.567 2.029 20 0 GEADLO C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1csc(Br)c1 ZINC000064994125 531872726 /nfs/dbraw/zinc/87/27/26/531872726.db2.gz SOEDHNKBTOBKEX-UHFFFAOYSA-N 1 2 388.209 2.331 20 0 GEADLO C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1csc(Br)c1 ZINC000064994125 531872731 /nfs/dbraw/zinc/87/27/31/531872731.db2.gz SOEDHNKBTOBKEX-UHFFFAOYSA-N 1 2 388.209 2.331 20 0 GEADLO CNC(=O)C1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000067376144 531883066 /nfs/dbraw/zinc/88/30/66/531883066.db2.gz CYCSTLITGLTWGS-UHFFFAOYSA-N 1 2 393.285 2.381 20 0 GEADLO COc1ccc([C@@H](C)NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1Br ZINC000170920210 531893818 /nfs/dbraw/zinc/89/38/18/531893818.db2.gz JRFDQTVRJNTYBK-YPMHNXCESA-N 1 2 386.290 2.149 20 0 GEADLO COc1ccc([C@@H](C)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1Br ZINC000170920210 531893821 /nfs/dbraw/zinc/89/38/21/531893821.db2.gz JRFDQTVRJNTYBK-YPMHNXCESA-N 1 2 386.290 2.149 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000068968464 531907201 /nfs/dbraw/zinc/90/72/01/531907201.db2.gz SDSKBJVWHVVYDV-LLVKDONJSA-N 1 2 391.324 2.402 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000068968464 531907207 /nfs/dbraw/zinc/90/72/07/531907207.db2.gz SDSKBJVWHVVYDV-LLVKDONJSA-N 1 2 391.324 2.402 20 0 GEADLO C[C@H](NC(=O)NCc1ccc(Br)c(F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000171668632 531909407 /nfs/dbraw/zinc/90/94/07/531909407.db2.gz ZJRWCIPMCNYDSX-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H](Cc1cccc(Br)c1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000171662583 531909508 /nfs/dbraw/zinc/90/95/08/531909508.db2.gz JTZZHKKWUFOOTH-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)CC1 ZINC000069091170 531910267 /nfs/dbraw/zinc/91/02/67/531910267.db2.gz BSSCCCDMVBMTMQ-UHFFFAOYSA-N 1 2 384.395 2.040 20 0 GEADLO CCn1c(C[N@@H+]2CCS[C@@H](C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000171699653 531911617 /nfs/dbraw/zinc/91/16/17/531911617.db2.gz JAUQLMBLRBESMN-ZDUSSCGKSA-N 1 2 382.555 2.244 20 0 GEADLO CCn1c(C[N@H+]2CCS[C@@H](C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000171699653 531911623 /nfs/dbraw/zinc/91/16/23/531911623.db2.gz JAUQLMBLRBESMN-ZDUSSCGKSA-N 1 2 382.555 2.244 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069868737 531912478 /nfs/dbraw/zinc/91/24/78/531912478.db2.gz UDUPRFASUSBERG-CYBMUJFWSA-N 1 2 376.881 2.212 20 0 GEADLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C(=O)NCc1ccccc1 ZINC000171758754 531913983 /nfs/dbraw/zinc/91/39/83/531913983.db2.gz CGAZEWPJHXXGHO-BLLLJJGKSA-N 1 2 390.281 2.270 20 0 GEADLO O=C(C[N@H+]1CCCN(C(=O)c2ccc(Br)cc2)CC1)N1CCCC1 ZINC000071875999 531914933 /nfs/dbraw/zinc/91/49/33/531914933.db2.gz OHJKYBGLYJFYKY-UHFFFAOYSA-N 1 2 394.313 2.219 20 0 GEADLO O=C(C[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2)CC1)N1CCCC1 ZINC000071875999 531914945 /nfs/dbraw/zinc/91/49/45/531914945.db2.gz OHJKYBGLYJFYKY-UHFFFAOYSA-N 1 2 394.313 2.219 20 0 GEADLO O=S(=O)(C[C@@H]1CCOC1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000171774107 531916174 /nfs/dbraw/zinc/91/61/74/531916174.db2.gz KAVQDEJREKXJRV-CZUORRHYSA-N 1 2 390.908 2.399 20 0 GEADLO O=S(=O)(C[C@@H]1CCOC1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000171774107 531916181 /nfs/dbraw/zinc/91/61/81/531916181.db2.gz KAVQDEJREKXJRV-CZUORRHYSA-N 1 2 390.908 2.399 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)CS(C)(=O)=O)c1ccccc1Cl ZINC000172238078 531941278 /nfs/dbraw/zinc/94/12/78/531941278.db2.gz DGOSEZLTKGTSIO-BBRMVZONSA-N 1 2 389.949 2.455 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)NCCc1ccc(Br)cc1 ZINC000172344976 531947321 /nfs/dbraw/zinc/94/73/21/531947321.db2.gz ZPJGUILNWBESNM-UHFFFAOYSA-N 1 2 378.226 2.150 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000112361327 531947342 /nfs/dbraw/zinc/94/73/42/531947342.db2.gz CUUOIOCYAJGWFW-UHFFFAOYSA-N 1 2 378.841 2.408 20 0 GEADLO C[N@H+](CCN1CCOCC1)CC(=O)Nc1ccc(Br)cc1Cl ZINC000114190561 531956367 /nfs/dbraw/zinc/95/63/67/531956367.db2.gz GNYJYVWKWNUVLJ-UHFFFAOYSA-N 1 2 390.709 2.305 20 0 GEADLO C[N@@H+](CCN1CCOCC1)CC(=O)Nc1ccc(Br)cc1Cl ZINC000114190561 531956372 /nfs/dbraw/zinc/95/63/72/531956372.db2.gz GNYJYVWKWNUVLJ-UHFFFAOYSA-N 1 2 390.709 2.305 20 0 GEADLO CN(CC[NH+]1CCOCC1)CC(=O)Nc1ccc(Br)cc1Cl ZINC000114190561 531956377 /nfs/dbraw/zinc/95/63/77/531956377.db2.gz GNYJYVWKWNUVLJ-UHFFFAOYSA-N 1 2 390.709 2.305 20 0 GEADLO COCC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(=O)OC ZINC000114197603 531956505 /nfs/dbraw/zinc/95/65/05/531956505.db2.gz SFZOPPFUESNERP-UHFFFAOYSA-N 1 2 391.237 2.038 20 0 GEADLO COCC[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(=O)OC ZINC000114197603 531956513 /nfs/dbraw/zinc/95/65/13/531956513.db2.gz SFZOPPFUESNERP-UHFFFAOYSA-N 1 2 391.237 2.038 20 0 GEADLO COc1ccc(Br)cc1/C=C/C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172748563 531967888 /nfs/dbraw/zinc/96/78/88/531967888.db2.gz RRVBBWUCNYWJPO-AUYOJAJCSA-N 1 2 395.297 2.404 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)o1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120739927 531992799 /nfs/dbraw/zinc/99/27/99/531992799.db2.gz KGJLMKPBVZBXTD-JTQLQIEISA-N 1 2 381.230 2.249 20 0 GEADLO CNC(=O)Cc1nc(CN2CC[NH+](Cc3ccc(Cl)s3)CC2)cs1 ZINC000173176923 531992827 /nfs/dbraw/zinc/99/28/27/531992827.db2.gz BGHWWQFSFZBQHK-UHFFFAOYSA-N 1 2 384.958 2.464 20 0 GEADLO O=C(CCn1cc(Br)ccc1=O)NCCc1cn2ccccc2[nH+]1 ZINC000120339678 531982214 /nfs/dbraw/zinc/98/22/14/531982214.db2.gz ICFTXHPHZGPDML-UHFFFAOYSA-N 1 2 389.253 2.008 20 0 GEADLO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000120591570 531983936 /nfs/dbraw/zinc/98/39/36/531983936.db2.gz YDDGZEURAWFNTL-OAHLLOKOSA-N 1 2 388.555 2.023 20 0 GEADLO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000120591570 531983945 /nfs/dbraw/zinc/98/39/45/531983945.db2.gz YDDGZEURAWFNTL-OAHLLOKOSA-N 1 2 388.555 2.023 20 0 GEADLO C[C@H](O)[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000120795001 531996600 /nfs/dbraw/zinc/99/66/00/531996600.db2.gz NDXGGTUTXVXHAV-QWHCGFSZSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@H](O)[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000120795001 531996605 /nfs/dbraw/zinc/99/66/05/531996605.db2.gz NDXGGTUTXVXHAV-QWHCGFSZSA-N 1 2 376.316 2.316 20 0 GEADLO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000121050782 532009390 /nfs/dbraw/zinc/00/93/90/532009390.db2.gz GKDDQIDZHQMXCS-ZIAGYGMSSA-N 1 2 380.794 2.095 20 0 GEADLO CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000121423248 532028454 /nfs/dbraw/zinc/02/84/54/532028454.db2.gz VJONUAMLJREWOG-CQSZACIVSA-N 1 2 382.511 2.066 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1SC(F)(F)F ZINC000173763292 532032920 /nfs/dbraw/zinc/03/29/20/532032920.db2.gz TXISVCTVNJFFDK-NSHDSACASA-N 1 2 384.445 2.431 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1SC(F)(F)F ZINC000173763292 532032925 /nfs/dbraw/zinc/03/29/25/532032925.db2.gz TXISVCTVNJFFDK-NSHDSACASA-N 1 2 384.445 2.431 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173752964 532031032 /nfs/dbraw/zinc/03/10/32/532031032.db2.gz CAKKENNTHQPBPW-CQSZACIVSA-N 1 2 378.416 2.191 20 0 GEADLO NC(=O)CSc1ccccc1NC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000174183501 532055334 /nfs/dbraw/zinc/05/53/34/532055334.db2.gz DDLLSTQNFNMGBK-UHFFFAOYSA-N 1 2 375.416 2.477 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1c(F)cc(F)cc1F ZINC000174251405 532058206 /nfs/dbraw/zinc/05/82/06/532058206.db2.gz FSMKXAHNNNEZMK-INIZCTEOSA-N 1 2 375.416 2.433 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](CCC(F)(F)F)C[C@H](O)CO)c1ccccc1Cl ZINC000122152680 532058478 /nfs/dbraw/zinc/05/84/78/532058478.db2.gz WQXNQMLREQHPBN-NEPJUHHUSA-N 1 2 382.810 2.125 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c1ccccc1Cl ZINC000122152680 532058484 /nfs/dbraw/zinc/05/84/84/532058484.db2.gz WQXNQMLREQHPBN-NEPJUHHUSA-N 1 2 382.810 2.125 20 0 GEADLO C[C@@H](CO[C@H]1CCOC1)NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000122189050 532061621 /nfs/dbraw/zinc/06/16/21/532061621.db2.gz HHNRQNJWYPMNEY-FZMZJTMJSA-N 1 2 397.273 2.090 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@H]1C ZINC000122332163 532065503 /nfs/dbraw/zinc/06/55/03/532065503.db2.gz DBLHJNMHHRUVEN-GHMZBOCLSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@H]1C ZINC000122332163 532065505 /nfs/dbraw/zinc/06/55/05/532065505.db2.gz DBLHJNMHHRUVEN-GHMZBOCLSA-N 1 2 398.859 2.017 20 0 GEADLO Cc1nnc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1C ZINC000122270003 532063712 /nfs/dbraw/zinc/06/37/12/532063712.db2.gz CQSFAUYTQCWRJX-LBPRGKRZSA-N 1 2 393.289 2.132 20 0 GEADLO Cc1nnc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1C ZINC000122270003 532063719 /nfs/dbraw/zinc/06/37/19/532063719.db2.gz CQSFAUYTQCWRJX-LBPRGKRZSA-N 1 2 393.289 2.132 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c(Cl)c1Cl ZINC000122437355 532069714 /nfs/dbraw/zinc/06/97/14/532069714.db2.gz KMGCUPCRBPQDIE-GHMZBOCLSA-N 1 2 397.324 2.078 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(Cl)c1Cl ZINC000122437355 532069718 /nfs/dbraw/zinc/06/97/18/532069718.db2.gz KMGCUPCRBPQDIE-GHMZBOCLSA-N 1 2 397.324 2.078 20 0 GEADLO CC(=O)N[C@H](CC(=O)NCCc1[nH]cc[nH+]1)c1ccc(Br)cc1 ZINC000174748597 532077134 /nfs/dbraw/zinc/07/71/34/532077134.db2.gz OLDCMENBOWYUAZ-CQSZACIVSA-N 1 2 379.258 2.098 20 0 GEADLO NC(=O)NC1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000174921586 532084207 /nfs/dbraw/zinc/08/42/07/532084207.db2.gz XAALUQYCLOSOMK-UHFFFAOYSA-N 1 2 378.782 2.430 20 0 GEADLO O=C(c1ccnc(Cl)c1I)N1CC[NH+](C2CC2)CC1 ZINC000122816957 532084421 /nfs/dbraw/zinc/08/44/21/532084421.db2.gz SWSCZODFWUAKEQ-UHFFFAOYSA-N 1 2 391.640 2.260 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000175322567 532099638 /nfs/dbraw/zinc/09/96/38/532099638.db2.gz IZMISCCIMJBMCV-NSHDSACASA-N 1 2 395.308 2.251 20 0 GEADLO CC[C@](C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000123282325 532097781 /nfs/dbraw/zinc/09/77/81/532097781.db2.gz GOEQONATWXVPBG-HNNXBMFYSA-N 1 2 381.325 2.461 20 0 GEADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000175397827 532101977 /nfs/dbraw/zinc/10/19/77/532101977.db2.gz MYCKOUCVRPTAOZ-OYLFLEFRSA-N 1 2 380.535 2.395 20 0 GEADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000175397827 532101981 /nfs/dbraw/zinc/10/19/81/532101981.db2.gz MYCKOUCVRPTAOZ-OYLFLEFRSA-N 1 2 380.535 2.395 20 0 GEADLO CC(C)S(=O)(=O)CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123775445 532107952 /nfs/dbraw/zinc/10/79/52/532107952.db2.gz NMLJJVZGIIRABL-SUMWQHHRSA-N 1 2 390.908 2.411 20 0 GEADLO CC(C)S(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123775445 532107960 /nfs/dbraw/zinc/10/79/60/532107960.db2.gz NMLJJVZGIIRABL-SUMWQHHRSA-N 1 2 390.908 2.411 20 0 GEADLO CC(C)[NH+]1CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000175578798 532109508 /nfs/dbraw/zinc/10/95/08/532109508.db2.gz SEZCVPYDRSVUTB-UHFFFAOYSA-N 1 2 375.332 2.249 20 0 GEADLO O=S(=O)(c1ccccc1C[N@@H+]1CCc2sccc2C1)N1CCOCC1 ZINC000124276882 532118197 /nfs/dbraw/zinc/11/81/97/532118197.db2.gz RPNOBIPXKVSLOX-UHFFFAOYSA-N 1 2 378.519 2.327 20 0 GEADLO O=S(=O)(c1ccccc1C[N@H+]1CCc2sccc2C1)N1CCOCC1 ZINC000124276882 532118202 /nfs/dbraw/zinc/11/82/02/532118202.db2.gz RPNOBIPXKVSLOX-UHFFFAOYSA-N 1 2 378.519 2.327 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)c(Cl)cc2OC)CC1 ZINC000175957083 532120772 /nfs/dbraw/zinc/12/07/72/532120772.db2.gz JUGVKGGZDAHELT-UHFFFAOYSA-N 1 2 388.295 2.286 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)c(Cl)cc2OC)CC1 ZINC000175957083 532120774 /nfs/dbraw/zinc/12/07/74/532120774.db2.gz JUGVKGGZDAHELT-UHFFFAOYSA-N 1 2 388.295 2.286 20 0 GEADLO Cn1cc(Br)cc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000124422183 532120878 /nfs/dbraw/zinc/12/08/78/532120878.db2.gz XRFKSWXLHQHJGG-UHFFFAOYSA-N 1 2 378.270 2.451 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000125267889 532133742 /nfs/dbraw/zinc/13/37/42/532133742.db2.gz SDUZAPXUHZIZHA-UHFFFAOYSA-N 1 2 385.854 2.314 20 0 GEADLO CC(C)C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000127098875 532152517 /nfs/dbraw/zinc/15/25/17/532152517.db2.gz CTVWYFNCQMAZMB-MRXNPFEDSA-N 1 2 376.469 2.131 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000129823011 532184582 /nfs/dbraw/zinc/18/45/82/532184582.db2.gz WOFMKESFMBNDJM-CYBMUJFWSA-N 1 2 390.311 2.218 20 0 GEADLO C[C@@H](C[NH2+][C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000129796519 532184782 /nfs/dbraw/zinc/18/47/82/532184782.db2.gz GFBYGEFXFKNJRR-GWCFXTLKSA-N 1 2 376.404 2.183 20 0 GEADLO NS(=O)(=O)CC1CC[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000129865246 532185510 /nfs/dbraw/zinc/18/55/10/532185510.db2.gz BXMFJNFTCOKOPS-QFIPXVFZSA-N 1 2 399.365 2.102 20 0 GEADLO COc1cc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)sc1Br ZINC000130449023 532192156 /nfs/dbraw/zinc/19/21/56/532192156.db2.gz XYKCHHWNSFJCLE-ZJUUUORDSA-N 1 2 377.304 2.358 20 0 GEADLO Cn1cc(Br)cc(NC(=O)NCCc2cn3ccccc3[nH+]2)c1=O ZINC000177964016 532188169 /nfs/dbraw/zinc/18/81/69/532188169.db2.gz OPYGQONFLDJIBP-UHFFFAOYSA-N 1 2 390.241 2.160 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cc(Br)cn(C)c1=O ZINC000177982479 532188631 /nfs/dbraw/zinc/18/86/31/532188631.db2.gz QPZCGHFUSJNTNP-UHFFFAOYSA-N 1 2 382.262 2.322 20 0 GEADLO Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000178606450 532207083 /nfs/dbraw/zinc/20/70/83/532207083.db2.gz MTWPARSPLMUJQC-CQSZACIVSA-N 1 2 382.917 2.227 20 0 GEADLO Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000178606450 532207086 /nfs/dbraw/zinc/20/70/86/532207086.db2.gz MTWPARSPLMUJQC-CQSZACIVSA-N 1 2 382.917 2.227 20 0 GEADLO Cc1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c2ccc(Br)cc2n1 ZINC000178614954 532207361 /nfs/dbraw/zinc/20/73/61/532207361.db2.gz KJCIMUBCVNARKM-AWEZNQCLSA-N 1 2 389.297 2.035 20 0 GEADLO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178647460 532207886 /nfs/dbraw/zinc/20/78/86/532207886.db2.gz MWBAVHHRUKVWSE-LBPRGKRZSA-N 1 2 382.942 2.184 20 0 GEADLO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178654344 532209349 /nfs/dbraw/zinc/20/93/49/532209349.db2.gz ODXWCXTXCYDMDV-GOEBONIOSA-N 1 2 380.330 2.134 20 0 GEADLO C[C@@H](CNC(=O)N1CCc2cc(Br)sc2C1)[NH+]1CCOCC1 ZINC000131597170 532201256 /nfs/dbraw/zinc/20/12/56/532201256.db2.gz VWPOXURCBOXKDO-NSHDSACASA-N 1 2 388.331 2.299 20 0 GEADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ncncc1Cl ZINC000178464391 532203123 /nfs/dbraw/zinc/20/31/23/532203123.db2.gz PZJJSWUCZLHAGD-UHFFFAOYSA-N 1 2 380.279 2.335 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1c(F)cccc1Cl ZINC000133148326 532227871 /nfs/dbraw/zinc/22/78/71/532227871.db2.gz QNEKEYHIMPYAGK-UHFFFAOYSA-N 1 2 378.897 2.458 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000179323688 532228750 /nfs/dbraw/zinc/22/87/50/532228750.db2.gz DFARIDJQAARXRI-UHFFFAOYSA-N 1 2 389.257 2.389 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cncc(I)c1 ZINC000179398253 532229640 /nfs/dbraw/zinc/22/96/40/532229640.db2.gz PBJYBIQAGNETKK-UHFFFAOYSA-N 1 2 378.173 2.264 20 0 GEADLO Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(Br)n1 ZINC000133278594 532230270 /nfs/dbraw/zinc/23/02/70/532230270.db2.gz YNEDSVFWDWRHIR-CQSZACIVSA-N 1 2 382.302 2.479 20 0 GEADLO CC(C)OCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000133337684 532232445 /nfs/dbraw/zinc/23/24/45/532232445.db2.gz HKPJNXZRIWWMDD-IRXDYDNUSA-N 1 2 390.933 2.056 20 0 GEADLO CC(C)OCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133337684 532232448 /nfs/dbraw/zinc/23/24/48/532232448.db2.gz HKPJNXZRIWWMDD-IRXDYDNUSA-N 1 2 390.933 2.056 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000179509716 532233613 /nfs/dbraw/zinc/23/36/13/532233613.db2.gz DHKHWUOIAWCQLX-UHFFFAOYSA-N 1 2 392.257 2.104 20 0 GEADLO COC(=O)CNC(=O)C[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000133451303 532235719 /nfs/dbraw/zinc/23/57/19/532235719.db2.gz DVEXWWIMNPTAKS-UHFFFAOYSA-N 1 2 383.286 2.483 20 0 GEADLO COC(=O)CNC(=O)C[N@@H+](Cc1ccccc1Br)C1CCCC1 ZINC000133451303 532235721 /nfs/dbraw/zinc/23/57/21/532235721.db2.gz DVEXWWIMNPTAKS-UHFFFAOYSA-N 1 2 383.286 2.483 20 0 GEADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000133096005 532226862 /nfs/dbraw/zinc/22/68/62/532226862.db2.gz NGTDRZMCJVZVBP-CQSZACIVSA-N 1 2 387.307 2.224 20 0 GEADLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179975512 532252810 /nfs/dbraw/zinc/25/28/10/532252810.db2.gz NXHIAGBHFRXDFY-UHFFFAOYSA-N 1 2 392.315 2.475 20 0 GEADLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179975512 532252812 /nfs/dbraw/zinc/25/28/12/532252812.db2.gz NXHIAGBHFRXDFY-UHFFFAOYSA-N 1 2 392.315 2.475 20 0 GEADLO CCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1Br ZINC000179585871 532237290 /nfs/dbraw/zinc/23/72/90/532237290.db2.gz HKIUTXSCWWSRFM-UHFFFAOYSA-N 1 2 388.287 2.413 20 0 GEADLO O=C1NCCCC[C@@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000135285180 532270169 /nfs/dbraw/zinc/27/01/69/532270169.db2.gz JANCGIFXSLREAE-JTQLQIEISA-N 1 2 377.080 2.365 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000180450461 532271850 /nfs/dbraw/zinc/27/18/50/532271850.db2.gz OYANFFJYHVXLDG-QGZVFWFLSA-N 1 2 389.297 2.188 20 0 GEADLO CS[C@@H]1CCCC[N@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000134585537 532258787 /nfs/dbraw/zinc/25/87/87/532258787.db2.gz MYEHIGDZIXISOA-IAGOWNOFSA-N 1 2 388.599 2.162 20 0 GEADLO CS[C@@H]1CCCC[N@@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000134585537 532258791 /nfs/dbraw/zinc/25/87/91/532258791.db2.gz MYEHIGDZIXISOA-IAGOWNOFSA-N 1 2 388.599 2.162 20 0 GEADLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cn(C)cc(Br)c1=O ZINC000180279390 532264426 /nfs/dbraw/zinc/26/44/26/532264426.db2.gz KBRKLPMSXNPFCE-UHFFFAOYSA-N 1 2 375.226 2.445 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)cc(Cl)c1O)[C@H]1C[N@H+](C)CCO1 ZINC000134983640 532264692 /nfs/dbraw/zinc/26/46/92/532264692.db2.gz PABJHEPAJXQXLB-QPUJVOFHSA-N 1 2 377.666 2.257 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)cc(Cl)c1O)[C@H]1C[N@@H+](C)CCO1 ZINC000134983640 532264696 /nfs/dbraw/zinc/26/46/96/532264696.db2.gz PABJHEPAJXQXLB-QPUJVOFHSA-N 1 2 377.666 2.257 20 0 GEADLO CCOCCOc1ccc(Br)cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000180307574 532266650 /nfs/dbraw/zinc/26/66/50/532266650.db2.gz NIZPAQKIVHPMDG-HNNXBMFYSA-N 1 2 387.274 2.134 20 0 GEADLO CCOCCOc1ccc(Br)cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000180307574 532266655 /nfs/dbraw/zinc/26/66/55/532266655.db2.gz NIZPAQKIVHPMDG-HNNXBMFYSA-N 1 2 387.274 2.134 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@H](C)[N@H+]1C ZINC000135261360 532268681 /nfs/dbraw/zinc/26/86/81/532268681.db2.gz WNXNSJYBVJLDPG-DTORHVGOSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@H](C)[N@@H+]1C ZINC000135261360 532268683 /nfs/dbraw/zinc/26/86/83/532268683.db2.gz WNXNSJYBVJLDPG-DTORHVGOSA-N 1 2 382.711 2.211 20 0 GEADLO O=S(=O)([C@H]1CC[N@H+](Cc2csc(-c3ccccn3)n2)C1)N1CCCC1 ZINC000135670302 532277575 /nfs/dbraw/zinc/27/75/75/532277575.db2.gz HEUANPFHJUMRQO-HNNXBMFYSA-N 1 2 378.523 2.205 20 0 GEADLO O=S(=O)([C@H]1CC[N@@H+](Cc2csc(-c3ccccn3)n2)C1)N1CCCC1 ZINC000135670302 532277581 /nfs/dbraw/zinc/27/75/81/532277581.db2.gz HEUANPFHJUMRQO-HNNXBMFYSA-N 1 2 378.523 2.205 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135744360 532278962 /nfs/dbraw/zinc/27/89/62/532278962.db2.gz XSDDYARRTUULRR-CJNGLKHVSA-N 1 2 385.917 2.167 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135744360 532278965 /nfs/dbraw/zinc/27/89/65/532278965.db2.gz XSDDYARRTUULRR-CJNGLKHVSA-N 1 2 385.917 2.167 20 0 GEADLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135755888 532279885 /nfs/dbraw/zinc/27/98/85/532279885.db2.gz FOXAKSCDGBELJL-OLZOCXBDSA-N 1 2 382.511 2.359 20 0 GEADLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135755888 532279887 /nfs/dbraw/zinc/27/98/87/532279887.db2.gz FOXAKSCDGBELJL-OLZOCXBDSA-N 1 2 382.511 2.359 20 0 GEADLO Cn1cc(C[N@H+](C)Cc2cnc(N3CCOCC3)s2)c(C(F)(F)F)n1 ZINC000180791196 532280498 /nfs/dbraw/zinc/28/04/98/532280498.db2.gz FCGNLECNJDAPCD-UHFFFAOYSA-N 1 2 375.420 2.364 20 0 GEADLO Cn1cc(C[N@@H+](C)Cc2cnc(N3CCOCC3)s2)c(C(F)(F)F)n1 ZINC000180791196 532280502 /nfs/dbraw/zinc/28/05/02/532280502.db2.gz FCGNLECNJDAPCD-UHFFFAOYSA-N 1 2 375.420 2.364 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cccnc1C(F)(F)F ZINC000136600941 532285771 /nfs/dbraw/zinc/28/57/71/532285771.db2.gz CATZFPQUQSQPFY-OAHLLOKOSA-N 1 2 375.416 2.038 20 0 GEADLO C[N@H+](Cc1ccc(C(N)=O)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181073052 532289694 /nfs/dbraw/zinc/28/96/94/532289694.db2.gz KSXPTQBRQVOCKZ-OAHLLOKOSA-N 1 2 376.254 2.206 20 0 GEADLO C[N@@H+](Cc1ccc(C(N)=O)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181073052 532289697 /nfs/dbraw/zinc/28/96/97/532289697.db2.gz KSXPTQBRQVOCKZ-OAHLLOKOSA-N 1 2 376.254 2.206 20 0 GEADLO CNC(=O)c1cccc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000181064049 532289765 /nfs/dbraw/zinc/28/97/65/532289765.db2.gz OJYBXVNIAYVEDF-MRXNPFEDSA-N 1 2 390.281 2.467 20 0 GEADLO CNC(=O)c1cccc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000181064049 532289767 /nfs/dbraw/zinc/28/97/67/532289767.db2.gz OJYBXVNIAYVEDF-MRXNPFEDSA-N 1 2 390.281 2.467 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000180478309 532272741 /nfs/dbraw/zinc/27/27/41/532272741.db2.gz PEGWHUVKTLHWBS-MRXNPFEDSA-N 1 2 390.285 2.153 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000180478309 532272745 /nfs/dbraw/zinc/27/27/45/532272745.db2.gz PEGWHUVKTLHWBS-MRXNPFEDSA-N 1 2 390.285 2.153 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151216053 532308328 /nfs/dbraw/zinc/30/83/28/532308328.db2.gz HQCDORFAYDTIEQ-GFCCVEGCSA-N 1 2 391.269 2.305 20 0 GEADLO O=C(N[C@H]1CCN(CC(F)(F)F)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000142542299 532296328 /nfs/dbraw/zinc/29/63/28/532296328.db2.gz URCRVFPSVVJRFA-AWEZNQCLSA-N 1 2 376.448 2.212 20 0 GEADLO CCOC(=O)CSc1nnc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000144684915 532297122 /nfs/dbraw/zinc/29/71/22/532297122.db2.gz IRSHAZRLUCFUBQ-CYBMUJFWSA-N 1 2 380.495 2.435 20 0 GEADLO CC(C)[C@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)[NH+]1CCOCC1 ZINC000150018287 532300341 /nfs/dbraw/zinc/30/03/41/532300341.db2.gz PAZYDHHKMYPUGU-LBPRGKRZSA-N 1 2 385.306 2.136 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000181669716 532304659 /nfs/dbraw/zinc/30/46/59/532304659.db2.gz OIPLDOQAPPYSOR-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000181669716 532304661 /nfs/dbraw/zinc/30/46/61/532304661.db2.gz OIPLDOQAPPYSOR-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO CCN(C(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000181755645 532305559 /nfs/dbraw/zinc/30/55/59/532305559.db2.gz LPUAYVURPVBPBJ-VXGBXAGGSA-N 1 2 376.881 2.165 20 0 GEADLO COCCc1noc(C[N@H+](C)CCC(=O)Nc2ccc(Br)cc2)n1 ZINC000151017477 532305892 /nfs/dbraw/zinc/30/58/92/532305892.db2.gz COGQETINDZSYNR-UHFFFAOYSA-N 1 2 397.273 2.482 20 0 GEADLO COCCc1noc(C[N@@H+](C)CCC(=O)Nc2ccc(Br)cc2)n1 ZINC000151017477 532305896 /nfs/dbraw/zinc/30/58/96/532305896.db2.gz COGQETINDZSYNR-UHFFFAOYSA-N 1 2 397.273 2.482 20 0 GEADLO CC(C)[NH+]1CCN(S(=O)(=O)c2cccc(I)c2)CC1 ZINC000151052577 532306572 /nfs/dbraw/zinc/30/65/72/532306572.db2.gz UKFDJCIKJVLTHB-UHFFFAOYSA-N 1 2 394.278 2.006 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000183360599 532324179 /nfs/dbraw/zinc/32/41/79/532324179.db2.gz NNFVXCLWTQJXNQ-UHFFFAOYSA-N 1 2 392.250 2.162 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000182104630 532309054 /nfs/dbraw/zinc/30/90/54/532309054.db2.gz ARUBCWHTIFKGTI-CQSZACIVSA-N 1 2 382.251 2.295 20 0 GEADLO CC(C)c1cnc(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)s1 ZINC000182982932 532320417 /nfs/dbraw/zinc/32/04/17/532320417.db2.gz CSSYHIGOZZWLQC-UHFFFAOYSA-N 1 2 380.539 2.236 20 0 GEADLO Cc1[nH]cc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(=O)c1Br ZINC000183205117 532322236 /nfs/dbraw/zinc/32/22/36/532322236.db2.gz MLDPZJATCFKRNZ-ZDUSSCGKSA-N 1 2 398.301 2.043 20 0 GEADLO CC[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)c1nccs1 ZINC000185115748 532336815 /nfs/dbraw/zinc/33/68/15/532336815.db2.gz WGWKIHGDSCBQHA-CYBMUJFWSA-N 1 2 382.511 2.087 20 0 GEADLO COc1c(Br)cccc1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000186838992 532342177 /nfs/dbraw/zinc/34/21/77/532342177.db2.gz XGXFMAQYIYFKAG-UHFFFAOYSA-N 1 2 396.329 2.198 20 0 GEADLO COC(C[N@H+](CCCO)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)OC ZINC000183662250 532327519 /nfs/dbraw/zinc/32/75/19/532327519.db2.gz WOFYOZXYDYDFHN-UHFFFAOYSA-N 1 2 389.283 2.377 20 0 GEADLO COC(C[N@@H+](CCCO)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)OC ZINC000183662250 532327522 /nfs/dbraw/zinc/32/75/22/532327522.db2.gz WOFYOZXYDYDFHN-UHFFFAOYSA-N 1 2 389.283 2.377 20 0 GEADLO C[C@H]([NH2+]CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)c1nccs1 ZINC000184414156 532332505 /nfs/dbraw/zinc/33/25/05/532332505.db2.gz DCPOLCPIATZDJS-ZFWWWQNUSA-N 1 2 385.555 2.142 20 0 GEADLO C[C@H](C(F)(F)F)S(=O)(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000184700580 532334647 /nfs/dbraw/zinc/33/46/47/532334647.db2.gz NJSMJUHHYAXWIS-GFCCVEGCSA-N 1 2 399.866 2.332 20 0 GEADLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000184798540 532334850 /nfs/dbraw/zinc/33/48/50/532334850.db2.gz UVNSAPBIBAOJAE-UHFFFAOYSA-N 1 2 378.464 2.438 20 0 GEADLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000184798540 532334851 /nfs/dbraw/zinc/33/48/51/532334851.db2.gz UVNSAPBIBAOJAE-UHFFFAOYSA-N 1 2 378.464 2.438 20 0 GEADLO O[C@@H](C[NH+]1CCN(c2ncccn2)CC1)c1ccc(F)c(Br)c1 ZINC000184909352 532335524 /nfs/dbraw/zinc/33/55/24/532335524.db2.gz JKSCWCXPANRUBQ-HNNXBMFYSA-N 1 2 381.249 2.234 20 0 GEADLO Cc1cc(S(=O)(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c(Cl)cc1F ZINC000184953903 532336104 /nfs/dbraw/zinc/33/61/04/532336104.db2.gz QCNLOAPYEZOSPR-UHFFFAOYSA-N 1 2 384.864 2.397 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl)C[NH+]1CCOCC1 ZINC000188001529 532346262 /nfs/dbraw/zinc/34/62/62/532346262.db2.gz MFUJPUNVJNQQIT-SNVBAGLBSA-N 1 2 385.288 2.379 20 0 GEADLO CC1(C)C[N@H+](CCNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000188098661 532346664 /nfs/dbraw/zinc/34/66/64/532346664.db2.gz NMQFBWBPOGBHRK-UHFFFAOYSA-N 1 2 380.432 2.236 20 0 GEADLO CC1(C)C[N@@H+](CCNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000188098661 532346665 /nfs/dbraw/zinc/34/66/65/532346665.db2.gz NMQFBWBPOGBHRK-UHFFFAOYSA-N 1 2 380.432 2.236 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188808070 532349720 /nfs/dbraw/zinc/34/97/20/532349720.db2.gz VRMZCOFTIQGQSC-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@H+]1CC(C)(C)O ZINC000188808070 532349721 /nfs/dbraw/zinc/34/97/21/532349721.db2.gz VRMZCOFTIQGQSC-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ncc(Br)s1 ZINC000189025327 532350517 /nfs/dbraw/zinc/35/05/17/532350517.db2.gz UUWLKXPAVQXVGM-UHFFFAOYSA-N 1 2 383.271 2.067 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](CCOCC(F)F)CC1 ZINC000189035963 532350642 /nfs/dbraw/zinc/35/06/42/532350642.db2.gz BVCXZUJBWLETSK-UHFFFAOYSA-N 1 2 377.229 2.489 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1C(F)(F)F ZINC000189083175 532350822 /nfs/dbraw/zinc/35/08/22/532350822.db2.gz OYCWOSPSPDATEB-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1C(F)(F)F ZINC000189083175 532350823 /nfs/dbraw/zinc/35/08/23/532350823.db2.gz OYCWOSPSPDATEB-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(Br)c2c(c1)C[N@H+]([C@H](C)C(=O)NC(=O)NC1CC1)CC2 ZINC000189232054 532351440 /nfs/dbraw/zinc/35/14/40/532351440.db2.gz PRZXEFLKKMMMFJ-LLVKDONJSA-N 1 2 380.286 2.492 20 0 GEADLO Cc1cc(Br)c2c(c1)C[N@@H+]([C@H](C)C(=O)NC(=O)NC1CC1)CC2 ZINC000189232054 532351441 /nfs/dbraw/zinc/35/14/41/532351441.db2.gz PRZXEFLKKMMMFJ-LLVKDONJSA-N 1 2 380.286 2.492 20 0 GEADLO Cc1cc(Br)c2c(c1)C[N@H+]([C@@H](C)C(=O)NC(=O)NC1CC1)CC2 ZINC000189232024 532351445 /nfs/dbraw/zinc/35/14/45/532351445.db2.gz PRZXEFLKKMMMFJ-NSHDSACASA-N 1 2 380.286 2.492 20 0 GEADLO Cc1cc(Br)c2c(c1)C[N@@H+]([C@@H](C)C(=O)NC(=O)NC1CC1)CC2 ZINC000189232024 532351446 /nfs/dbraw/zinc/35/14/46/532351446.db2.gz PRZXEFLKKMMMFJ-NSHDSACASA-N 1 2 380.286 2.492 20 0 GEADLO C[C@@H]1C(=O)NCCCN1C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000189238138 532351489 /nfs/dbraw/zinc/35/14/89/532351489.db2.gz KSPOPJCXQPADPV-CJNGLKHVSA-N 1 2 394.313 2.323 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000189273123 532351705 /nfs/dbraw/zinc/35/17/05/532351705.db2.gz COOLMZDJGRLDMY-MRXNPFEDSA-N 1 2 384.318 2.389 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000189273123 532351706 /nfs/dbraw/zinc/35/17/06/532351706.db2.gz COOLMZDJGRLDMY-MRXNPFEDSA-N 1 2 384.318 2.389 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000189719819 532353475 /nfs/dbraw/zinc/35/34/75/532353475.db2.gz TWCXHXXHONBAPF-STQMWFEESA-N 1 2 387.343 2.455 20 0 GEADLO O=C(CN1CC[NH+](C[C@H](O)CC(F)(F)F)CC1)Nc1ccc(Cl)cc1 ZINC000189759660 532353554 /nfs/dbraw/zinc/35/35/54/532353554.db2.gz JBXAXTHXJDACDP-CQSZACIVSA-N 1 2 379.810 2.209 20 0 GEADLO C[C@H]1CSCC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000190398970 532355873 /nfs/dbraw/zinc/35/58/73/532355873.db2.gz GKMOOORORJXGDM-LLVKDONJSA-N 1 2 378.466 2.306 20 0 GEADLO C[C@H]1CSCC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000190398970 532355874 /nfs/dbraw/zinc/35/58/74/532355874.db2.gz GKMOOORORJXGDM-LLVKDONJSA-N 1 2 378.466 2.306 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2OC)C1 ZINC000190833119 532358241 /nfs/dbraw/zinc/35/82/41/532358241.db2.gz LEXGSHDCIJALBK-CQSZACIVSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2OC)C1 ZINC000190833119 532358242 /nfs/dbraw/zinc/35/82/42/532358242.db2.gz LEXGSHDCIJALBK-CQSZACIVSA-N 1 2 390.933 2.221 20 0 GEADLO CC(C)[N@H+](CCS(C)(=O)=O)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000187326271 532344082 /nfs/dbraw/zinc/34/40/82/532344082.db2.gz GLDJBEZXWFZJMM-CQSZACIVSA-N 1 2 382.295 2.377 20 0 GEADLO CC(C)[N@@H+](CCS(C)(=O)=O)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000187326271 532344083 /nfs/dbraw/zinc/34/40/83/532344083.db2.gz GLDJBEZXWFZJMM-CQSZACIVSA-N 1 2 382.295 2.377 20 0 GEADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(F)cc3Br)C2)CC1 ZINC000187475472 532344608 /nfs/dbraw/zinc/34/46/08/532344608.db2.gz LXZRLSDVZGDDGU-MRXNPFEDSA-N 1 2 398.320 2.369 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)CCc1ccc(Cl)cc1)[NH+]1CCN(C)CC1 ZINC000425201436 532372766 /nfs/dbraw/zinc/37/27/66/532372766.db2.gz LQDKRIFTPNNEAY-SFHVURJKSA-N 1 2 387.977 2.074 20 0 GEADLO C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000515493992 532365579 /nfs/dbraw/zinc/36/55/79/532365579.db2.gz DNRQREZIXFEKQB-LBPRGKRZSA-N 1 2 382.511 2.359 20 0 GEADLO CC(C)(NC(=O)c1cc(Cn2cc(Br)cn2)on1)c1[nH]cc[nH+]1 ZINC000515491914 532365635 /nfs/dbraw/zinc/36/56/35/532365635.db2.gz PDNNVCFMTWOJDN-UHFFFAOYSA-N 1 2 379.218 2.070 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)C[C@@H]1C ZINC000677153983 532366077 /nfs/dbraw/zinc/36/60/77/532366077.db2.gz ZDAYENMTXYKIPF-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)C[C@@H]1C ZINC000677153983 532366083 /nfs/dbraw/zinc/36/60/83/532366083.db2.gz ZDAYENMTXYKIPF-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CCc1nnc(CS[C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000589973479 532366325 /nfs/dbraw/zinc/36/63/25/532366325.db2.gz GKRFHTLVDZQQKY-ZDUSSCGKSA-N 1 2 377.539 2.466 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@@H]1C ZINC000677183618 532367240 /nfs/dbraw/zinc/36/72/40/532367240.db2.gz FTBABRCAZXHYRA-NSHDSACASA-N 1 2 378.270 2.457 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@@H]1C ZINC000677183618 532367246 /nfs/dbraw/zinc/36/72/46/532367246.db2.gz FTBABRCAZXHYRA-NSHDSACASA-N 1 2 378.270 2.457 20 0 GEADLO CC[N@@H+]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000677191601 532368019 /nfs/dbraw/zinc/36/80/19/532368019.db2.gz DGXMLIPWDXAGLD-ZDUSSCGKSA-N 1 2 375.332 2.249 20 0 GEADLO CC[N@H+]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000677191601 532368022 /nfs/dbraw/zinc/36/80/22/532368022.db2.gz DGXMLIPWDXAGLD-ZDUSSCGKSA-N 1 2 375.332 2.249 20 0 GEADLO CCOC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000463228504 532370407 /nfs/dbraw/zinc/37/04/07/532370407.db2.gz BURNOPBQSDFJJM-QGZVFWFLSA-N 1 2 389.279 2.065 20 0 GEADLO COC[C@H](C)Sc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000463251775 532371959 /nfs/dbraw/zinc/37/19/59/532371959.db2.gz VLHCFTJNUCFQJP-ZDUSSCGKSA-N 1 2 383.539 2.307 20 0 GEADLO Cc1cc(Cl)cnc1NC(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000463654907 532378818 /nfs/dbraw/zinc/37/88/18/532378818.db2.gz KBWIYVRJXDASBT-UHFFFAOYSA-N 1 2 375.738 2.057 20 0 GEADLO Cc1cc(Cl)cnc1NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000463639299 532379375 /nfs/dbraw/zinc/37/93/75/532379375.db2.gz OYHAEDBVNSXQIS-UHFFFAOYSA-N 1 2 378.885 2.388 20 0 GEADLO O=C(CSc1nncs1)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000372260805 532380479 /nfs/dbraw/zinc/38/04/79/532380479.db2.gz JWMQOUXWAKETBU-UHFFFAOYSA-N 1 2 389.428 2.393 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)c(C)s2)C1 ZINC000425312081 532382619 /nfs/dbraw/zinc/38/26/19/532382619.db2.gz JDLQASBUSLEOCG-NSHDSACASA-N 1 2 389.315 2.434 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(Br)c(C)s2)C1 ZINC000425312081 532382623 /nfs/dbraw/zinc/38/26/23/532382623.db2.gz JDLQASBUSLEOCG-NSHDSACASA-N 1 2 389.315 2.434 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC(C[NH+]2CCOCC2)C1 ZINC000647887200 532382956 /nfs/dbraw/zinc/38/29/56/532382956.db2.gz NESINGULTRNPCM-UHFFFAOYSA-N 1 2 398.834 2.312 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000372309309 532383192 /nfs/dbraw/zinc/38/31/92/532383192.db2.gz WGRNWZYLVCUGEF-CYBMUJFWSA-N 1 2 381.885 2.253 20 0 GEADLO CCCCNC(=O)C1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC000425385544 532384423 /nfs/dbraw/zinc/38/44/23/532384423.db2.gz NONGOBRSIHSKJA-UHFFFAOYSA-N 1 2 387.571 2.127 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(CN2CC[NH+](Cc3cccs3)CC2)s1 ZINC000425385401 532384605 /nfs/dbraw/zinc/38/46/05/532384605.db2.gz PHSIFBFJEJZTII-UHFFFAOYSA-N 1 2 385.580 2.378 20 0 GEADLO CC1(C)C[N@H+](CCNS(=O)(=O)c2csnc2-c2ccccc2)CCO1 ZINC000647905416 532385066 /nfs/dbraw/zinc/38/50/66/532385066.db2.gz VATNEGINEABEOJ-UHFFFAOYSA-N 1 2 381.523 2.199 20 0 GEADLO CC1(C)C[N@@H+](CCNS(=O)(=O)c2csnc2-c2ccccc2)CCO1 ZINC000647905416 532385076 /nfs/dbraw/zinc/38/50/76/532385076.db2.gz VATNEGINEABEOJ-UHFFFAOYSA-N 1 2 381.523 2.199 20 0 GEADLO COc1cc(C[N@@H+]2CCOC[C@@H](O)C2)cc(Br)c1OC(F)F ZINC000294837373 532385548 /nfs/dbraw/zinc/38/55/48/532385548.db2.gz QQTZJNLXZVJALV-JTQLQIEISA-N 1 2 382.201 2.252 20 0 GEADLO COc1cc(C[N@H+]2CCOC[C@@H](O)C2)cc(Br)c1OC(F)F ZINC000294837373 532385551 /nfs/dbraw/zinc/38/55/51/532385551.db2.gz QQTZJNLXZVJALV-JTQLQIEISA-N 1 2 382.201 2.252 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000372381329 532388627 /nfs/dbraw/zinc/38/86/27/532388627.db2.gz UZCKISMRBCGKPA-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000372381329 532388631 /nfs/dbraw/zinc/38/86/31/532388631.db2.gz UZCKISMRBCGKPA-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000192143789 532388813 /nfs/dbraw/zinc/38/88/13/532388813.db2.gz IMQPXJOXUOOOGC-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO CN(C)c1cc(NC(=O)Cc2nc(C3CC3)nn2C)[nH+]cc1Br ZINC000648411558 532395700 /nfs/dbraw/zinc/39/57/00/532395700.db2.gz JARAWYMQNBBCDQ-UHFFFAOYSA-N 1 2 379.262 2.097 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1)C1CC1 ZINC000558425175 532390848 /nfs/dbraw/zinc/39/08/48/532390848.db2.gz SJPRITQJPYKICV-CYBMUJFWSA-N 1 2 382.917 2.282 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cnc3ccc(Cl)cn23)C1)C1CC1 ZINC000558425175 532390854 /nfs/dbraw/zinc/39/08/54/532390854.db2.gz SJPRITQJPYKICV-CYBMUJFWSA-N 1 2 382.917 2.282 20 0 GEADLO COc1ccc(Br)cc1CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000279267453 532394281 /nfs/dbraw/zinc/39/42/81/532394281.db2.gz IZWVMFUODUOOMB-ZDUSSCGKSA-N 1 2 385.302 2.179 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)Cc2ccc(C(F)F)cc2)CC[N@@H+]1CCOC ZINC000559053958 532400284 /nfs/dbraw/zinc/40/02/84/532400284.db2.gz PGZMODFXXXWXJD-MRXNPFEDSA-N 1 2 376.469 2.497 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)Cc2ccc(C(F)F)cc2)CC[N@H+]1CCOC ZINC000559053958 532400287 /nfs/dbraw/zinc/40/02/87/532400287.db2.gz PGZMODFXXXWXJD-MRXNPFEDSA-N 1 2 376.469 2.497 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)CCOc1cccc(I)c1 ZINC000517006481 532402389 /nfs/dbraw/zinc/40/23/89/532402389.db2.gz LHZXCENVVHZARA-UHFFFAOYSA-N 1 2 399.232 2.153 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CCO1 ZINC000625023490 532405597 /nfs/dbraw/zinc/40/55/97/532405597.db2.gz BASLVVUZBQEIGI-IPALMDDQSA-N 1 2 379.298 2.172 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CCO1 ZINC000625023490 532405603 /nfs/dbraw/zinc/40/56/03/532405603.db2.gz BASLVVUZBQEIGI-IPALMDDQSA-N 1 2 379.298 2.172 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)Nc1nc(-c2cccs2)cs1 ZINC000464800637 532406396 /nfs/dbraw/zinc/40/63/96/532406396.db2.gz FXZPEQIELOBCSS-QGZVFWFLSA-N 1 2 376.507 2.412 20 0 GEADLO O=C(C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1)Nc1nc(-c2cccs2)cs1 ZINC000464800637 532406404 /nfs/dbraw/zinc/40/64/04/532406404.db2.gz FXZPEQIELOBCSS-QGZVFWFLSA-N 1 2 376.507 2.412 20 0 GEADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc2c(cncc2Br)s1 ZINC000648926141 532409969 /nfs/dbraw/zinc/40/99/69/532409969.db2.gz CVMBHBYVBJNFSQ-JTQLQIEISA-N 1 2 384.299 2.197 20 0 GEADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc2c(cncc2Br)s1 ZINC000648926141 532409974 /nfs/dbraw/zinc/40/99/74/532409974.db2.gz CVMBHBYVBJNFSQ-JTQLQIEISA-N 1 2 384.299 2.197 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N(C)CC[N@@H+]1CCO[C@H](C)C1 ZINC000192781904 532408815 /nfs/dbraw/zinc/40/88/15/532408815.db2.gz WJXUBBWQXSKPKK-CJNGLKHVSA-N 1 2 385.302 2.316 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N(C)CC[N@H+]1CCO[C@H](C)C1 ZINC000192781904 532408819 /nfs/dbraw/zinc/40/88/19/532408819.db2.gz WJXUBBWQXSKPKK-CJNGLKHVSA-N 1 2 385.302 2.316 20 0 GEADLO CCO[C@H](CS(=O)(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000625146412 532412441 /nfs/dbraw/zinc/41/24/41/532412441.db2.gz STISYCYUVZPALP-GOSISDBHSA-N 1 2 386.945 2.433 20 0 GEADLO CCO[C@H](CS(=O)(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000625146412 532412447 /nfs/dbraw/zinc/41/24/47/532412447.db2.gz STISYCYUVZPALP-GOSISDBHSA-N 1 2 386.945 2.433 20 0 GEADLO COC1CC[NH+](CCNC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000649087562 532413001 /nfs/dbraw/zinc/41/30/01/532413001.db2.gz VXKXIZBDTDIMDV-UHFFFAOYSA-N 1 2 375.238 2.134 20 0 GEADLO CC1(C)C[C@H](S(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CO1 ZINC000625153205 532414408 /nfs/dbraw/zinc/41/44/08/532414408.db2.gz PVDXWXJANIPCLV-IRXDYDNUSA-N 1 2 384.567 2.091 20 0 GEADLO CC1(C)C[C@H](S(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CO1 ZINC000625153205 532414414 /nfs/dbraw/zinc/41/44/14/532414414.db2.gz PVDXWXJANIPCLV-IRXDYDNUSA-N 1 2 384.567 2.091 20 0 GEADLO COc1c(Br)cc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1Br ZINC000680481719 532415359 /nfs/dbraw/zinc/41/53/59/532415359.db2.gz TZXXAMNMQFMJHV-NXEZZACHSA-N 1 2 395.091 2.148 20 0 GEADLO COc1c(Br)cc(C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1Br ZINC000680481719 532415362 /nfs/dbraw/zinc/41/53/62/532415362.db2.gz TZXXAMNMQFMJHV-NXEZZACHSA-N 1 2 395.091 2.148 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@H](C)O1 ZINC000192967767 532415448 /nfs/dbraw/zinc/41/54/48/532415448.db2.gz VGWDBKUFEJCNRK-BETUJISGSA-N 1 2 378.897 2.350 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@H](C)O1 ZINC000192967767 532415454 /nfs/dbraw/zinc/41/54/54/532415454.db2.gz VGWDBKUFEJCNRK-BETUJISGSA-N 1 2 378.897 2.350 20 0 GEADLO COc1cc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c(Br)cc1O ZINC000649239081 532418474 /nfs/dbraw/zinc/41/84/74/532418474.db2.gz VCULPLOLPHKPEK-JTQLQIEISA-N 1 2 380.242 2.239 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)CCN3CCCC3=O)[nH+]c12 ZINC000680551216 532417463 /nfs/dbraw/zinc/41/74/63/532417463.db2.gz LZPDMWLAWQKCJP-UHFFFAOYSA-N 1 2 379.258 2.034 20 0 GEADLO O=C([C@H]1CCc2c[nH+]cn2C1)N(CCO)Cc1cc(Br)cs1 ZINC000649217409 532417867 /nfs/dbraw/zinc/41/78/67/532417867.db2.gz LCYYVTKJYRLVAU-NSHDSACASA-N 1 2 384.299 2.291 20 0 GEADLO O=S(=O)(CC[NH+]1CCC(C2(O)CC2)CC1)c1cccc(Br)c1 ZINC000649672696 532421062 /nfs/dbraw/zinc/42/10/62/532421062.db2.gz MZSGASSAKRHAHT-UHFFFAOYSA-N 1 2 388.327 2.460 20 0 GEADLO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000372935978 532420520 /nfs/dbraw/zinc/42/05/20/532420520.db2.gz UTFFFANEIXOJAN-GJZGRUSLSA-N 1 2 392.297 2.175 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000681186419 532424134 /nfs/dbraw/zinc/42/41/34/532424134.db2.gz NGBGNLLORFKACM-OAHLLOKOSA-N 1 2 391.269 2.239 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000517840799 532428447 /nfs/dbraw/zinc/42/84/47/532428447.db2.gz YLWDEIFFHVRQIP-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000517840799 532428453 /nfs/dbraw/zinc/42/84/53/532428453.db2.gz YLWDEIFFHVRQIP-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000517829285 532428614 /nfs/dbraw/zinc/42/86/14/532428614.db2.gz BSNAXMJXOQTHCY-GFCCVEGCSA-N 1 2 393.285 2.290 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000517829285 532428615 /nfs/dbraw/zinc/42/86/15/532428615.db2.gz BSNAXMJXOQTHCY-GFCCVEGCSA-N 1 2 393.285 2.290 20 0 GEADLO COC(=O)c1nccnc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000591921975 532428902 /nfs/dbraw/zinc/42/89/02/532428902.db2.gz DLJOVTOMTXOIKS-UHFFFAOYSA-N 1 2 391.269 2.348 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCN(C(=O)N(C)C)CC3)c[nH+]c12 ZINC000517779895 532427226 /nfs/dbraw/zinc/42/72/26/532427226.db2.gz FRVRGCIEICXZIK-UHFFFAOYSA-N 1 2 380.290 2.204 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2ccncc2Br)C1)C1CC1 ZINC000625429112 532427342 /nfs/dbraw/zinc/42/73/42/532427342.db2.gz ARULGXLJQOQNED-LBPRGKRZSA-N 1 2 388.331 2.138 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ccncc2Br)C1)C1CC1 ZINC000625429112 532427350 /nfs/dbraw/zinc/42/73/50/532427350.db2.gz ARULGXLJQOQNED-LBPRGKRZSA-N 1 2 388.331 2.138 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(I)cc1 ZINC000517898388 532429951 /nfs/dbraw/zinc/42/99/51/532429951.db2.gz FHLXITMUTJZESA-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(I)cc1 ZINC000517898388 532429956 /nfs/dbraw/zinc/42/99/56/532429956.db2.gz FHLXITMUTJZESA-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000466829122 532435854 /nfs/dbraw/zinc/43/58/54/532435854.db2.gz PAAXIYFZGCIDPN-QGZVFWFLSA-N 1 2 382.917 2.429 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000466829122 532435862 /nfs/dbraw/zinc/43/58/62/532435862.db2.gz PAAXIYFZGCIDPN-QGZVFWFLSA-N 1 2 382.917 2.429 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2CCC[C@H]21)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000681711626 532436621 /nfs/dbraw/zinc/43/66/21/532436621.db2.gz FRLSQTOEDDAUDC-YQQAZPJKSA-N 1 2 382.551 2.138 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2CCC[C@H]21)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000681711626 532436631 /nfs/dbraw/zinc/43/66/31/532436631.db2.gz FRLSQTOEDDAUDC-YQQAZPJKSA-N 1 2 382.551 2.138 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)CCO1 ZINC000427884589 532436854 /nfs/dbraw/zinc/43/68/54/532436854.db2.gz IXNATJCLCAQNSR-LBPRGKRZSA-N 1 2 388.295 2.467 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)CCO1 ZINC000427884589 532436859 /nfs/dbraw/zinc/43/68/59/532436859.db2.gz IXNATJCLCAQNSR-LBPRGKRZSA-N 1 2 388.295 2.467 20 0 GEADLO C[C@@H](c1ccccc1Br)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000466732621 532432344 /nfs/dbraw/zinc/43/23/44/532432344.db2.gz HLTUJGKWUDSJII-ZDUSSCGKSA-N 1 2 377.286 2.426 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295330461 532435182 /nfs/dbraw/zinc/43/51/82/532435182.db2.gz HITYKRWCFLPZAE-VXGBXAGGSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295330461 532435191 /nfs/dbraw/zinc/43/51/91/532435191.db2.gz HITYKRWCFLPZAE-VXGBXAGGSA-N 1 2 376.266 2.359 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000592208793 532440701 /nfs/dbraw/zinc/44/07/01/532440701.db2.gz PIYXMHMFZUMIEN-ZYHUDNBSSA-N 1 2 392.677 2.337 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000592208793 532440711 /nfs/dbraw/zinc/44/07/11/532440711.db2.gz PIYXMHMFZUMIEN-ZYHUDNBSSA-N 1 2 392.677 2.337 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1cccc2c(Br)ccnc12 ZINC000626580739 532440891 /nfs/dbraw/zinc/44/08/91/532440891.db2.gz FDHMPNRSIWIKEY-LLVKDONJSA-N 1 2 379.258 2.449 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1cccc2c(Br)ccnc12 ZINC000626580739 532440897 /nfs/dbraw/zinc/44/08/97/532440897.db2.gz FDHMPNRSIWIKEY-LLVKDONJSA-N 1 2 379.258 2.449 20 0 GEADLO CN(C[C@H]1CCC[N@H+](Cc2cnc(Br)s2)C1)S(C)(=O)=O ZINC000295360928 532438721 /nfs/dbraw/zinc/43/87/21/532438721.db2.gz RMVFJYHACZCYEU-SNVBAGLBSA-N 1 2 382.349 2.009 20 0 GEADLO CN(C[C@H]1CCC[N@@H+](Cc2cnc(Br)s2)C1)S(C)(=O)=O ZINC000295360928 532438725 /nfs/dbraw/zinc/43/87/25/532438725.db2.gz RMVFJYHACZCYEU-SNVBAGLBSA-N 1 2 382.349 2.009 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)c1cc(N2CCOCC2)nc[nH+]1 ZINC000295405406 532444701 /nfs/dbraw/zinc/44/47/01/532444701.db2.gz SEQXCYNCUYDDLK-HNNXBMFYSA-N 1 2 393.285 2.246 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)c1cc(N2CCOCC2)[nH+]cn1 ZINC000295405406 532444706 /nfs/dbraw/zinc/44/47/06/532444706.db2.gz SEQXCYNCUYDDLK-HNNXBMFYSA-N 1 2 393.285 2.246 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000467390515 532445589 /nfs/dbraw/zinc/44/55/89/532445589.db2.gz WLLDWFJUQFZYFY-UHFFFAOYSA-N 1 2 383.290 2.171 20 0 GEADLO C[C@H]1CN(C(=O)CSCc2ccc(Br)cc2)CC[N@@H+]1CCO ZINC000428157371 532446423 /nfs/dbraw/zinc/44/64/23/532446423.db2.gz PALBVRQVQLEHGF-ZDUSSCGKSA-N 1 2 387.343 2.207 20 0 GEADLO C[C@H]1CN(C(=O)CSCc2ccc(Br)cc2)CC[N@H+]1CCO ZINC000428157371 532446426 /nfs/dbraw/zinc/44/64/26/532446426.db2.gz PALBVRQVQLEHGF-ZDUSSCGKSA-N 1 2 387.343 2.207 20 0 GEADLO C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ncc(Br)s1 ZINC000561709282 532447357 /nfs/dbraw/zinc/44/73/57/532447357.db2.gz GCFHNDUUOZNNBI-GHMZBOCLSA-N 1 2 398.330 2.481 20 0 GEADLO Cc1cc(Br)cc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000467537807 532449604 /nfs/dbraw/zinc/44/96/04/532449604.db2.gz ZTCDQCVCAXFITC-QGZVFWFLSA-N 1 2 397.313 2.321 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)NCc3csc(Br)c3)CC2)cn1 ZINC000592343283 532450628 /nfs/dbraw/zinc/45/06/28/532450628.db2.gz JUHDCWXMURKPRQ-UHFFFAOYSA-N 1 2 398.330 2.272 20 0 GEADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC1(Cc2ccccc2Br)CC1 ZINC000561762761 532451209 /nfs/dbraw/zinc/45/12/09/532451209.db2.gz XKEITWADPWVWHC-UHFFFAOYSA-N 1 2 396.329 2.097 20 0 GEADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1(Cc2ccccc2Br)CC1 ZINC000561762761 532451215 /nfs/dbraw/zinc/45/12/15/532451215.db2.gz XKEITWADPWVWHC-UHFFFAOYSA-N 1 2 396.329 2.097 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000373501141 532453984 /nfs/dbraw/zinc/45/39/84/532453984.db2.gz HQLUSBVFUHDLBB-NSHDSACASA-N 1 2 377.482 2.242 20 0 GEADLO CC(=O)NCC[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000561934040 532454963 /nfs/dbraw/zinc/45/49/63/532454963.db2.gz IHPJEMVQDVXFGZ-CZUORRHYSA-N 1 2 382.302 2.214 20 0 GEADLO CC(=O)NCC[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000561934040 532454964 /nfs/dbraw/zinc/45/49/64/532454964.db2.gz IHPJEMVQDVXFGZ-CZUORRHYSA-N 1 2 382.302 2.214 20 0 GEADLO CC(C)[C@@H]1C[C@@H](Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)CS1 ZINC000683111265 532455238 /nfs/dbraw/zinc/45/52/38/532455238.db2.gz SGXYICZBSMBXLH-CVEARBPZSA-N 1 2 384.571 2.105 20 0 GEADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000282410554 532465760 /nfs/dbraw/zinc/46/57/60/532465760.db2.gz QFTQMMIOVSZGLT-CPCISQLKSA-N 1 2 377.080 2.221 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2Br)cc1 ZINC000562490283 532468322 /nfs/dbraw/zinc/46/83/22/532468322.db2.gz WUUOKDZLSFDCMT-UHFFFAOYSA-N 1 2 385.239 2.162 20 0 GEADLO Cc1ccn2cc(CNC(=O)NCc3ccc(S(C)(=O)=O)s3)[nH+]c2c1 ZINC000468550335 532468599 /nfs/dbraw/zinc/46/85/99/532468599.db2.gz YYBTXTIRZIYWLY-UHFFFAOYSA-N 1 2 378.479 2.107 20 0 GEADLO O=C(COc1cccc(I)c1)NCCNc1cccc[nH+]1 ZINC000429061050 532468967 /nfs/dbraw/zinc/46/89/67/532468967.db2.gz BNXOPUYGTOLHQC-UHFFFAOYSA-N 1 2 397.216 2.293 20 0 GEADLO CC1CC[NH+](Cc2ccccc2CNS(=O)(=O)NCC(F)(F)F)CC1 ZINC000195100080 532469518 /nfs/dbraw/zinc/46/95/18/532469518.db2.gz SPBWFOSWSDHVHN-UHFFFAOYSA-N 1 2 379.448 2.405 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000593149232 532471265 /nfs/dbraw/zinc/47/12/65/532471265.db2.gz ZCIWKUOIOBSMRB-HOTGVXAUSA-N 1 2 384.307 2.377 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000519644163 532472721 /nfs/dbraw/zinc/47/27/21/532472721.db2.gz DPZDHYDLXKROOL-CYBMUJFWSA-N 1 2 388.917 2.005 20 0 GEADLO Cn1cc(C[N@@H+]2CCc3c(Br)ccc(Cl)c3C2)c(=O)n(C)c1=O ZINC000468535237 532467482 /nfs/dbraw/zinc/46/74/82/532467482.db2.gz GKTGVHZTMWBZAZ-UHFFFAOYSA-N 1 2 398.688 2.058 20 0 GEADLO Cn1cc(C[N@H+]2CCc3c(Br)ccc(Cl)c3C2)c(=O)n(C)c1=O ZINC000468535237 532467485 /nfs/dbraw/zinc/46/74/85/532467485.db2.gz GKTGVHZTMWBZAZ-UHFFFAOYSA-N 1 2 398.688 2.058 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000562704831 532477491 /nfs/dbraw/zinc/47/74/91/532477491.db2.gz BGRGWYOKNJEVEA-DOTOQJQBSA-N 1 2 394.313 2.452 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000562704831 532477495 /nfs/dbraw/zinc/47/74/95/532477495.db2.gz BGRGWYOKNJEVEA-DOTOQJQBSA-N 1 2 394.313 2.452 20 0 GEADLO C[C@H](O)[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000562717407 532479422 /nfs/dbraw/zinc/47/94/22/532479422.db2.gz SPHSHMPISVENIN-RRQGHBQHSA-N 1 2 397.313 2.194 20 0 GEADLO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)CC[S@@]1=O ZINC000429569879 532479508 /nfs/dbraw/zinc/47/95/08/532479508.db2.gz NEORYCFWFQDVLM-YLGBZRSBSA-N 1 2 376.316 2.032 20 0 GEADLO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)CC[S@@]1=O ZINC000429569879 532479513 /nfs/dbraw/zinc/47/95/13/532479513.db2.gz NEORYCFWFQDVLM-YLGBZRSBSA-N 1 2 376.316 2.032 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](c2ccncn2)C1)Nc1ccc(Br)cn1 ZINC000373935687 532480141 /nfs/dbraw/zinc/48/01/41/532480141.db2.gz DVKZZIIMLLZGER-LBPRGKRZSA-N 1 2 376.258 2.452 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](c2ccncn2)C1)Nc1ccc(Br)cn1 ZINC000373935687 532480144 /nfs/dbraw/zinc/48/01/44/532480144.db2.gz DVKZZIIMLLZGER-LBPRGKRZSA-N 1 2 376.258 2.452 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000198367694 532481733 /nfs/dbraw/zinc/48/17/33/532481733.db2.gz LVJCOOYDKPJOAR-GFCCVEGCSA-N 1 2 384.293 2.373 20 0 GEADLO O=C(C[N@H+]1CCCC[C@@H](CO)C1)Nc1ccccc1I ZINC000374049349 532485778 /nfs/dbraw/zinc/48/57/78/532485778.db2.gz JOYQPFSNSYHTNG-GFCCVEGCSA-N 1 2 388.249 2.324 20 0 GEADLO O=C(C[N@@H+]1CCCC[C@@H](CO)C1)Nc1ccccc1I ZINC000374049349 532485786 /nfs/dbraw/zinc/48/57/86/532485786.db2.gz JOYQPFSNSYHTNG-GFCCVEGCSA-N 1 2 388.249 2.324 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1C[N@H+](C)CCO1 ZINC000684913644 532487341 /nfs/dbraw/zinc/48/73/41/532487341.db2.gz MWFMRPMDESWYEZ-SKDRFNHKSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1C[N@@H+](C)CCO1 ZINC000684913644 532487350 /nfs/dbraw/zinc/48/73/50/532487350.db2.gz MWFMRPMDESWYEZ-SKDRFNHKSA-N 1 2 397.722 2.100 20 0 GEADLO CCC(=O)C1(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC1 ZINC000562956978 532490844 /nfs/dbraw/zinc/49/08/44/532490844.db2.gz YCICYOIMIZWLJH-UHFFFAOYSA-N 1 2 382.258 2.379 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469115704 532491615 /nfs/dbraw/zinc/49/16/15/532491615.db2.gz ZKZFDPMLGLTELR-LBPRGKRZSA-N 1 2 377.242 2.267 20 0 GEADLO COC[C@H](O)CC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000230143306 532491749 /nfs/dbraw/zinc/49/17/49/532491749.db2.gz PJVWSUSUWJSDBX-SECBINFHSA-N 1 2 383.080 2.404 20 0 GEADLO COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000685437074 532493370 /nfs/dbraw/zinc/49/33/70/532493370.db2.gz DJBNQGNBIBSFFU-CQSZACIVSA-N 1 2 391.331 2.314 20 0 GEADLO COc1cc(Br)ccc1C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000685437074 532493375 /nfs/dbraw/zinc/49/33/75/532493375.db2.gz DJBNQGNBIBSFFU-CQSZACIVSA-N 1 2 391.331 2.314 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000469166260 532494096 /nfs/dbraw/zinc/49/40/96/532494096.db2.gz YLFPUBOXAPTTKH-RDBSUJKOSA-N 1 2 390.933 2.467 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000469166260 532494099 /nfs/dbraw/zinc/49/40/99/532494099.db2.gz YLFPUBOXAPTTKH-RDBSUJKOSA-N 1 2 390.933 2.467 20 0 GEADLO COc1ccc(Br)c(CN(C)C(=O)[C@H](C)[NH+]2CCN(C)CC2)c1 ZINC000430194180 532494266 /nfs/dbraw/zinc/49/42/66/532494266.db2.gz IBIJHHOOGJNWFV-ZDUSSCGKSA-N 1 2 384.318 2.052 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H](C)O1 ZINC000469178942 532495150 /nfs/dbraw/zinc/49/51/50/532495150.db2.gz QEIBPQIRGQYJSQ-PHIMTYICSA-N 1 2 385.306 2.231 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H](C)O1 ZINC000469178942 532495154 /nfs/dbraw/zinc/49/51/54/532495154.db2.gz QEIBPQIRGQYJSQ-PHIMTYICSA-N 1 2 385.306 2.231 20 0 GEADLO C[C@@H](C(=O)Nc1c(O)cc(Br)cc1Cl)N1CC[NH+](C)CC1 ZINC000519664483 532474196 /nfs/dbraw/zinc/47/41/96/532474196.db2.gz SRZOIOQEVPGYDD-VIFPVBQESA-N 1 2 376.682 2.383 20 0 GEADLO C[C@H](C(=O)Nc1c(O)cc(Br)cc1Cl)N1CC[NH+](C)CC1 ZINC000519664459 532474742 /nfs/dbraw/zinc/47/47/42/532474742.db2.gz SRZOIOQEVPGYDD-SECBINFHSA-N 1 2 376.682 2.383 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684252614 532475123 /nfs/dbraw/zinc/47/51/23/532475123.db2.gz ZZYWPMOBZMHRAN-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@@H](C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)[NH+]1CCOCC1 ZINC000563378839 532502309 /nfs/dbraw/zinc/50/23/09/532502309.db2.gz WDVAZBXKRAWOPR-XJKSGUPXSA-N 1 2 383.286 2.070 20 0 GEADLO Cc1nc(N)c(CNC(=O)[C@H]2CCOc3ccc(Br)cc32)c[nH+]1 ZINC000652113529 532503487 /nfs/dbraw/zinc/50/34/87/532503487.db2.gz SPIMYZPIGOUONP-LBPRGKRZSA-N 1 2 377.242 2.312 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000521065228 532505202 /nfs/dbraw/zinc/50/52/02/532505202.db2.gz NZFDFKLPKKOVAJ-OLZOCXBDSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000521065228 532505205 /nfs/dbraw/zinc/50/52/05/532505205.db2.gz NZFDFKLPKKOVAJ-OLZOCXBDSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@H](Nc1[nH+]cnc2c1cnn2-c1ncccn1)c1ncc(Br)cn1 ZINC000431133002 532506389 /nfs/dbraw/zinc/50/63/89/532506389.db2.gz QKIWQVPAHWPBKG-VIFPVBQESA-N 1 2 398.228 2.331 20 0 GEADLO COc1cc(Cl)c(Br)cc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000469598524 532506449 /nfs/dbraw/zinc/50/64/49/532506449.db2.gz IUDADZMHEZZWIX-GXTWGEPZSA-N 1 2 389.677 2.266 20 0 GEADLO COc1cc(Cl)c(Br)cc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000469598524 532506453 /nfs/dbraw/zinc/50/64/53/532506453.db2.gz IUDADZMHEZZWIX-GXTWGEPZSA-N 1 2 389.677 2.266 20 0 GEADLO O=C(N[C@H]1CC[S@@](=O)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000521164907 532508208 /nfs/dbraw/zinc/50/82/08/532508208.db2.gz VKTRVKYHIHPKDG-IVCQMTBJSA-N 1 2 380.901 2.269 20 0 GEADLO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000469666958 532508883 /nfs/dbraw/zinc/50/88/83/532508883.db2.gz IVPKXCKDDHYANG-UHFFFAOYSA-N 1 2 376.360 2.371 20 0 GEADLO COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](CCOCC(F)F)CC1 ZINC000469720405 532509851 /nfs/dbraw/zinc/50/98/51/532509851.db2.gz HLPXGQYBXGDYSK-INIZCTEOSA-N 1 2 376.831 2.453 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000563903393 532512953 /nfs/dbraw/zinc/51/29/53/532512953.db2.gz GMUKAEIBCCQFKP-UHFFFAOYSA-N 1 2 399.314 2.262 20 0 GEADLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1oc2ccccc2c1Br ZINC000594605570 532515088 /nfs/dbraw/zinc/51/50/88/532515088.db2.gz AWYOOMFMMTXAQO-LBPRGKRZSA-N 1 2 395.253 2.449 20 0 GEADLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1oc2ccccc2c1Br ZINC000594605570 532515090 /nfs/dbraw/zinc/51/50/90/532515090.db2.gz AWYOOMFMMTXAQO-LBPRGKRZSA-N 1 2 395.253 2.449 20 0 GEADLO COC(=O)c1cc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c(C)o1 ZINC000594611972 532515195 /nfs/dbraw/zinc/51/51/95/532515195.db2.gz DUAGKMCBFBRZMR-CQSZACIVSA-N 1 2 381.226 2.453 20 0 GEADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC1(c2ccccc2Br)CCC1 ZINC000652515500 532515357 /nfs/dbraw/zinc/51/53/57/532515357.db2.gz DPBYSVXJTFQOLZ-UHFFFAOYSA-N 1 2 396.329 2.401 20 0 GEADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1(c2ccccc2Br)CCC1 ZINC000652515500 532515363 /nfs/dbraw/zinc/51/53/63/532515363.db2.gz DPBYSVXJTFQOLZ-UHFFFAOYSA-N 1 2 396.329 2.401 20 0 GEADLO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]Cc1nnc(S(C)(=O)=O)s1 ZINC000296364540 532516268 /nfs/dbraw/zinc/51/62/68/532516268.db2.gz SGKRSBZDDGSSQU-UONOGXRCSA-N 1 2 381.523 2.415 20 0 GEADLO CC1(C)[C@H]([NH2+]Cc2nnc(S(C)(=O)=O)s2)C[C@H]1OCc1ccccc1 ZINC000296364548 532516447 /nfs/dbraw/zinc/51/64/47/532516447.db2.gz SGKRSBZDDGSSQU-ZIAGYGMSSA-N 1 2 381.523 2.415 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)NCc2c[nH+]ccc2OC)c1 ZINC000431574408 532517273 /nfs/dbraw/zinc/51/72/73/532517273.db2.gz JQDUAHAXZDWAPC-UHFFFAOYSA-N 1 2 387.255 2.340 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000296397834 532518260 /nfs/dbraw/zinc/51/82/60/532518260.db2.gz SYBCBOYDPWYILR-YVEFUNNKSA-N 1 2 399.285 2.288 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000296397834 532518270 /nfs/dbraw/zinc/51/82/70/532518270.db2.gz SYBCBOYDPWYILR-YVEFUNNKSA-N 1 2 399.285 2.288 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000685823013 532498329 /nfs/dbraw/zinc/49/83/29/532498329.db2.gz MHNUMXIUGHPYON-UHFFFAOYSA-N 1 2 376.254 2.142 20 0 GEADLO NC(=O)C[C@@H]1CC[N@H+](Cc2c(Br)cncc2Br)C1 ZINC000685847805 532499565 /nfs/dbraw/zinc/49/95/65/532499565.db2.gz CSJJBYXAMANHJM-QMMMGPOBSA-N 1 2 377.080 2.304 20 0 GEADLO NC(=O)C[C@@H]1CC[N@@H+](Cc2c(Br)cncc2Br)C1 ZINC000685847805 532499570 /nfs/dbraw/zinc/49/95/70/532499570.db2.gz CSJJBYXAMANHJM-QMMMGPOBSA-N 1 2 377.080 2.304 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000563378634 532501965 /nfs/dbraw/zinc/50/19/65/532501965.db2.gz WJOYSCZKZGBWGE-NSHDSACASA-N 1 2 379.258 2.496 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000563378634 532501971 /nfs/dbraw/zinc/50/19/71/532501971.db2.gz WJOYSCZKZGBWGE-NSHDSACASA-N 1 2 379.258 2.496 20 0 GEADLO COc1cc(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c(Br)cc1O ZINC000631167098 532545426 /nfs/dbraw/zinc/54/54/26/532545426.db2.gz QJTOZQIJJCDPES-NSHDSACASA-N 1 2 397.273 2.081 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1c(Cl)cncc1Cl ZINC000432419811 532538560 /nfs/dbraw/zinc/53/85/60/532538560.db2.gz GGQUWXHWCCZEAS-OAHLLOKOSA-N 1 2 376.309 2.326 20 0 GEADLO CCn1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)c1=O ZINC000432504170 532540022 /nfs/dbraw/zinc/54/00/22/532540022.db2.gz GYEBKAQVLKAMET-CQSZACIVSA-N 1 2 382.233 2.086 20 0 GEADLO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000564961064 532540626 /nfs/dbraw/zinc/54/06/26/532540626.db2.gz QHTNECVKDNWMPR-NSHDSACASA-N 1 2 383.258 2.294 20 0 GEADLO Cc1nccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1Br ZINC000526100470 532540770 /nfs/dbraw/zinc/54/07/70/532540770.db2.gz AIXVDTWYLVKINI-MRXNPFEDSA-N 1 2 390.281 2.414 20 0 GEADLO Cc1nccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Br ZINC000526100470 532540778 /nfs/dbraw/zinc/54/07/78/532540778.db2.gz AIXVDTWYLVKINI-MRXNPFEDSA-N 1 2 390.281 2.414 20 0 GEADLO Fc1cc2c(cc1Br)[C@H]([NH2+]Cc1cn(C[C@@H]3CCOC3)nn1)CO2 ZINC000631128675 532544423 /nfs/dbraw/zinc/54/44/23/532544423.db2.gz OEXJZSKHASFKLY-ZUZCIYMTSA-N 1 2 397.248 2.440 20 0 GEADLO CC(C)[N@@H+]1CC[C@H](NC(=O)CSCC(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245565377 532522265 /nfs/dbraw/zinc/52/22/65/532522265.db2.gz PEUKEBPXOORKKS-WMLDXEAASA-N 1 2 387.908 2.338 20 0 GEADLO CC(C)[N@H+]1CC[C@H](NC(=O)CSCC(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245565377 532522269 /nfs/dbraw/zinc/52/22/69/532522269.db2.gz PEUKEBPXOORKKS-WMLDXEAASA-N 1 2 387.908 2.338 20 0 GEADLO O=C(C[N@H+]1CCSC[C@@H]1CCO)N(Cc1ccccc1)CC(F)(F)F ZINC000470210779 532522774 /nfs/dbraw/zinc/52/27/74/532522774.db2.gz WXOGTHKCLXVGQN-HNNXBMFYSA-N 1 2 376.444 2.377 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@@H]1CCO)N(Cc1ccccc1)CC(F)(F)F ZINC000470210779 532522775 /nfs/dbraw/zinc/52/27/75/532522775.db2.gz WXOGTHKCLXVGQN-HNNXBMFYSA-N 1 2 376.444 2.377 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246912580 532544950 /nfs/dbraw/zinc/54/49/50/532544950.db2.gz IJWVYFPKJCOKCN-JKIFEVAISA-N 1 2 397.313 2.396 20 0 GEADLO COCC[N@H+](Cc1ccc(Br)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000283176590 532523726 /nfs/dbraw/zinc/52/37/26/532523726.db2.gz DVBSMSCNOGVHAC-AWEZNQCLSA-N 1 2 376.316 2.393 20 0 GEADLO COCC[N@@H+](Cc1ccc(Br)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000283176590 532523731 /nfs/dbraw/zinc/52/37/31/532523731.db2.gz DVBSMSCNOGVHAC-AWEZNQCLSA-N 1 2 376.316 2.393 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000245717693 532523774 /nfs/dbraw/zinc/52/37/74/532523774.db2.gz OIPLDOQAPPYSOR-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000245717693 532523777 /nfs/dbraw/zinc/52/37/77/532523777.db2.gz OIPLDOQAPPYSOR-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000296493361 532524707 /nfs/dbraw/zinc/52/47/07/532524707.db2.gz YWJFOKCRZJCEIJ-UHFFFAOYSA-N 1 2 393.694 2.405 20 0 GEADLO O=C(C[NH+]1CCN(CCc2c(Cl)cccc2Cl)CC1)N1CCOCC1 ZINC000296638430 532532448 /nfs/dbraw/zinc/53/24/48/532532448.db2.gz WIFJBJAECFXVPM-UHFFFAOYSA-N 1 2 386.323 2.012 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000525780272 532533818 /nfs/dbraw/zinc/53/38/18/532533818.db2.gz NUOXGLAWZRFADM-UHFFFAOYSA-N 1 2 383.221 2.320 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000283624342 532550125 /nfs/dbraw/zinc/55/01/25/532550125.db2.gz HOWMOSNEHKWPOV-IUODEOHRSA-N 1 2 375.922 2.065 20 0 GEADLO COCc1cccc(CNC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000432987985 532551611 /nfs/dbraw/zinc/55/16/11/532551611.db2.gz WUDXFSPBAWHCBK-GFCCVEGCSA-N 1 2 393.285 2.353 20 0 GEADLO COc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000432990197 532552653 /nfs/dbraw/zinc/55/26/53/532552653.db2.gz YIFSNRIQICQZKQ-NSHDSACASA-N 1 2 379.258 2.215 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000248648484 532553408 /nfs/dbraw/zinc/55/34/08/532553408.db2.gz JTMBTFZYDRXVPE-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000248648484 532553417 /nfs/dbraw/zinc/55/34/17/532553417.db2.gz JTMBTFZYDRXVPE-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000433010667 532554128 /nfs/dbraw/zinc/55/41/28/532554128.db2.gz YQFNHCGFXYYEBB-JTQLQIEISA-N 1 2 392.257 2.487 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1Cl ZINC000248646046 532554069 /nfs/dbraw/zinc/55/40/69/532554069.db2.gz GYPKHWXBOLSDRW-NEPJUHHUSA-N 1 2 378.947 2.138 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1Cl ZINC000248646046 532554077 /nfs/dbraw/zinc/55/40/77/532554077.db2.gz GYPKHWXBOLSDRW-NEPJUHHUSA-N 1 2 378.947 2.138 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000471646105 532554454 /nfs/dbraw/zinc/55/44/54/532554454.db2.gz SYDGPPYMPZKURW-XJKSGUPXSA-N 1 2 384.929 2.368 20 0 GEADLO COC(=O)[C@@H]1CCC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000595306574 532554805 /nfs/dbraw/zinc/55/48/05/532554805.db2.gz OUNFYTHVBZFYFY-SNVBAGLBSA-N 1 2 380.242 2.393 20 0 GEADLO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000595306574 532554810 /nfs/dbraw/zinc/55/48/10/532554810.db2.gz OUNFYTHVBZFYFY-SNVBAGLBSA-N 1 2 380.242 2.393 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000631680468 532556377 /nfs/dbraw/zinc/55/63/77/532556377.db2.gz QSFQLVZNPVPEAC-RDJZCZTQSA-N 1 2 384.498 2.227 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000631680468 532556383 /nfs/dbraw/zinc/55/63/83/532556383.db2.gz QSFQLVZNPVPEAC-RDJZCZTQSA-N 1 2 384.498 2.227 20 0 GEADLO O=C(CS(=O)(=O)Cc1ccc(Cl)s1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654306035 532557149 /nfs/dbraw/zinc/55/71/49/532557149.db2.gz ZJNOXRRTQLQMLU-UONOGXRCSA-N 1 2 390.958 2.449 20 0 GEADLO O=C(CS(=O)(=O)Cc1ccc(Cl)s1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654306035 532557155 /nfs/dbraw/zinc/55/71/55/532557155.db2.gz ZJNOXRRTQLQMLU-UONOGXRCSA-N 1 2 390.958 2.449 20 0 GEADLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1cscc1Br ZINC000631743386 532557547 /nfs/dbraw/zinc/55/75/47/532557547.db2.gz SVFDKUIJBUGXBR-UHFFFAOYSA-N 1 2 376.301 2.450 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(Cl)cc1F ZINC000471778043 532558109 /nfs/dbraw/zinc/55/81/09/532558109.db2.gz DNTMOGHHOIOPNZ-CYBMUJFWSA-N 1 2 378.897 2.423 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c(Cl)cc1F ZINC000471778043 532558118 /nfs/dbraw/zinc/55/81/18/532558118.db2.gz DNTMOGHHOIOPNZ-CYBMUJFWSA-N 1 2 378.897 2.423 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCN1CCOC[C@H]1C ZINC000249073082 532558760 /nfs/dbraw/zinc/55/87/60/532558760.db2.gz RJMUOPAYWPFJPO-CQSZACIVSA-N 1 2 384.318 2.349 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCN1CCOC[C@H]1C ZINC000249073082 532558768 /nfs/dbraw/zinc/55/87/68/532558768.db2.gz RJMUOPAYWPFJPO-CQSZACIVSA-N 1 2 384.318 2.349 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)CC[N@H+]1CCOC[C@H]1C ZINC000249073082 532558772 /nfs/dbraw/zinc/55/87/72/532558772.db2.gz RJMUOPAYWPFJPO-CQSZACIVSA-N 1 2 384.318 2.349 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)CC[N@@H+]1CCOC[C@H]1C ZINC000249073082 532558773 /nfs/dbraw/zinc/55/87/73/532558773.db2.gz RJMUOPAYWPFJPO-CQSZACIVSA-N 1 2 384.318 2.349 20 0 GEADLO COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C)cc(I)c1OC ZINC000471801390 532558694 /nfs/dbraw/zinc/55/86/94/532558694.db2.gz ZXBYPTVHFPYASG-MWLCHTKSSA-N 1 2 377.222 2.264 20 0 GEADLO COc1cc(C[N@H+]2C[C@H](O)C[C@H]2C)cc(I)c1OC ZINC000471801390 532558700 /nfs/dbraw/zinc/55/87/00/532558700.db2.gz ZXBYPTVHFPYASG-MWLCHTKSSA-N 1 2 377.222 2.264 20 0 GEADLO CC(C)(CNC(=O)c1cnc(Br)c(Cl)c1)[NH+]1CCOCC1 ZINC000283812246 532558961 /nfs/dbraw/zinc/55/89/61/532558961.db2.gz IQZQOMDTHIFEOJ-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO Cc1sc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1CS(C)(=O)=O ZINC000471780516 532559123 /nfs/dbraw/zinc/55/91/23/532559123.db2.gz NCYAVODVIREWJF-UHFFFAOYSA-N 1 2 395.428 2.290 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(F)c(Cl)c1 ZINC000433269136 532561510 /nfs/dbraw/zinc/56/15/10/532561510.db2.gz HHYATOGNWDAPRJ-UHFFFAOYSA-N 1 2 385.848 2.197 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(F)c(Cl)c1 ZINC000433269136 532561514 /nfs/dbraw/zinc/56/15/14/532561514.db2.gz HHYATOGNWDAPRJ-UHFFFAOYSA-N 1 2 385.848 2.197 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528400674 532563532 /nfs/dbraw/zinc/56/35/32/532563532.db2.gz QDOQUHTXUHUSGV-SECBINFHSA-N 1 2 383.258 2.228 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528400674 532563539 /nfs/dbraw/zinc/56/35/39/532563539.db2.gz QDOQUHTXUHUSGV-SECBINFHSA-N 1 2 383.258 2.228 20 0 GEADLO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Br)cc(Cl)c2O)CC1 ZINC000375506096 532563717 /nfs/dbraw/zinc/56/37/17/532563717.db2.gz CMGSZYDAJHRTGI-JTQLQIEISA-N 1 2 391.693 2.337 20 0 GEADLO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc(Br)cc(Cl)c2O)CC1 ZINC000375506096 532563721 /nfs/dbraw/zinc/56/37/21/532563721.db2.gz CMGSZYDAJHRTGI-JTQLQIEISA-N 1 2 391.693 2.337 20 0 GEADLO COc1ccc(Cl)cc1CS(=O)(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000433363260 532564168 /nfs/dbraw/zinc/56/41/68/532564168.db2.gz LJURPLMYHGBQNX-UHFFFAOYSA-N 1 2 390.933 2.221 20 0 GEADLO COc1ccc(Cl)cc1CS(=O)(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000433363260 532564174 /nfs/dbraw/zinc/56/41/74/532564174.db2.gz LJURPLMYHGBQNX-UHFFFAOYSA-N 1 2 390.933 2.221 20 0 GEADLO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000565476278 532564816 /nfs/dbraw/zinc/56/48/16/532564816.db2.gz YKNBIFXIZRYUJI-HNNXBMFYSA-N 1 2 376.507 2.279 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000433357872 532564951 /nfs/dbraw/zinc/56/49/51/532564951.db2.gz ZSLFMDIQYILVGF-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000433357872 532564954 /nfs/dbraw/zinc/56/49/54/532564954.db2.gz ZSLFMDIQYILVGF-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO CC(C)S(=O)(=O)CCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297151373 532570175 /nfs/dbraw/zinc/57/01/75/532570175.db2.gz QYRQNRQFCMZBMM-UHFFFAOYSA-N 1 2 384.889 2.148 20 0 GEADLO Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)NCC(F)(F)F)cc1F ZINC000375593106 532567202 /nfs/dbraw/zinc/56/72/02/532567202.db2.gz WACUGXNJTBIYKE-SECBINFHSA-N 1 2 380.367 2.367 20 0 GEADLO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2onc(C3CC3)c2Cl)CC1 ZINC000631922920 532567171 /nfs/dbraw/zinc/56/71/71/532567171.db2.gz HZQBTNSARREHKN-UHFFFAOYSA-N 1 2 391.921 2.373 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(C(=O)NCCn1cc[nH+]c1)C2 ZINC000595548522 532567227 /nfs/dbraw/zinc/56/72/27/532567227.db2.gz VHOMXFWJBWOZCV-UHFFFAOYSA-N 1 2 399.270 2.219 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)ccc1Br ZINC000375572768 532567957 /nfs/dbraw/zinc/56/79/57/532567957.db2.gz SRMVDPWCAQJRHB-MRXNPFEDSA-N 1 2 382.258 2.270 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)ccc1Br ZINC000375572768 532567964 /nfs/dbraw/zinc/56/79/64/532567964.db2.gz SRMVDPWCAQJRHB-MRXNPFEDSA-N 1 2 382.258 2.270 20 0 GEADLO C[N@H+](Cc1ccc(Br)c(F)c1F)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000528509218 532568363 /nfs/dbraw/zinc/56/83/63/532568363.db2.gz XWRHEZRSXJXLFW-JTQLQIEISA-N 1 2 383.258 2.193 20 0 GEADLO C[N@@H+](Cc1ccc(Br)c(F)c1F)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000528509218 532568368 /nfs/dbraw/zinc/56/83/68/532568368.db2.gz XWRHEZRSXJXLFW-JTQLQIEISA-N 1 2 383.258 2.193 20 0 GEADLO O=C(NCc1ccc(F)cc1Br)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000565531262 532568906 /nfs/dbraw/zinc/56/89/06/532568906.db2.gz HHZRJDKOPOOHHY-UHFFFAOYSA-N 1 2 391.200 2.491 20 0 GEADLO COC(=O)CSCCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296830297 532546118 /nfs/dbraw/zinc/54/61/18/532546118.db2.gz ZUXSOAOHRSRTIB-UHFFFAOYSA-N 1 2 382.873 2.231 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)c1c(Cl)ccc(F)c1F)N1CC[NH+](C)CC1 ZINC000283566540 532546539 /nfs/dbraw/zinc/54/65/39/532546539.db2.gz POPOIDCDQWPWBD-AWEZNQCLSA-N 1 2 395.903 2.169 20 0 GEADLO COc1ncc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000654052046 532547022 /nfs/dbraw/zinc/54/70/22/532547022.db2.gz RQLQRHDYLCGSRO-SDDRHHMPSA-N 1 2 386.290 2.080 20 0 GEADLO COc1ncc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000654052046 532547030 /nfs/dbraw/zinc/54/70/30/532547030.db2.gz RQLQRHDYLCGSRO-SDDRHHMPSA-N 1 2 386.290 2.080 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[NH+](Cc3cccc4[nH]ccc43)CC2)cs1 ZINC000527239311 532547207 /nfs/dbraw/zinc/54/72/07/532547207.db2.gz MYLIDXLNYIEUIZ-UHFFFAOYSA-N 1 2 376.507 2.439 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)N(C)CC[N@@H+]1CCOC[C@H]1C ZINC000249639201 532569584 /nfs/dbraw/zinc/56/95/84/532569584.db2.gz XMMHSILWOBSHLU-CZUORRHYSA-N 1 2 385.302 2.316 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)N(C)CC[N@H+]1CCOC[C@H]1C ZINC000249639201 532569586 /nfs/dbraw/zinc/56/95/86/532569586.db2.gz XMMHSILWOBSHLU-CZUORRHYSA-N 1 2 385.302 2.316 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000375313199 532549103 /nfs/dbraw/zinc/54/91/03/532549103.db2.gz LVMIAZPHIYWXBW-INIZCTEOSA-N 1 2 382.917 2.098 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000375313199 532549111 /nfs/dbraw/zinc/54/91/11/532549111.db2.gz LVMIAZPHIYWXBW-INIZCTEOSA-N 1 2 382.917 2.098 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1)N1CCOCC1 ZINC000432918610 532549298 /nfs/dbraw/zinc/54/92/98/532549298.db2.gz QGODWVGBYFXEJU-CYBMUJFWSA-N 1 2 398.472 2.393 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1)N1CCOCC1 ZINC000432918610 532549301 /nfs/dbraw/zinc/54/93/01/532549301.db2.gz QGODWVGBYFXEJU-CYBMUJFWSA-N 1 2 398.472 2.393 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccnc(Br)c1)C(C)(C)CO ZINC000297349505 532583127 /nfs/dbraw/zinc/58/31/27/532583127.db2.gz GIJDBBPTXRKKTQ-GFCCVEGCSA-N 1 2 382.262 2.459 20 0 GEADLO C[C@]1(C[NH3+])CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C1 ZINC000262141442 532585366 /nfs/dbraw/zinc/58/53/66/532585366.db2.gz XDYRJPVXSCRVTO-QGZVFWFLSA-N 1 2 379.507 2.360 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000632169201 532585460 /nfs/dbraw/zinc/58/54/60/532585460.db2.gz MFTLKWJOTKKYQO-KBPBESRZSA-N 1 2 384.395 2.069 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000632169201 532585467 /nfs/dbraw/zinc/58/54/67/532585467.db2.gz MFTLKWJOTKKYQO-KBPBESRZSA-N 1 2 384.395 2.069 20 0 GEADLO O=C(c1cn2ccc(Br)cc2n1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000375904273 532585743 /nfs/dbraw/zinc/58/57/43/532585743.db2.gz UKJMIGVIMCJXNN-AWEZNQCLSA-N 1 2 386.253 2.279 20 0 GEADLO Cn1ncc2c1nc(N1CC[C@@H](Nc3cccc(Br)c3)C1)[nH+]c2N ZINC000375917090 532587177 /nfs/dbraw/zinc/58/71/77/532587177.db2.gz PVEVEDNMQLTNIT-GFCCVEGCSA-N 1 2 388.273 2.399 20 0 GEADLO COC(=O)COc1cccc(CNc2nc(C)[nH+]c(C)c2Br)c1 ZINC000596129367 532588599 /nfs/dbraw/zinc/58/85/99/532588599.db2.gz OVIJHBVFQYEKDI-UHFFFAOYSA-N 1 2 380.242 3.020 20 0 GEADLO C[N@@H+]1CC[C@@H](CNC(=O)CC2CS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000632200387 532589459 /nfs/dbraw/zinc/58/94/59/532589459.db2.gz GFKZKVOQVIWSCQ-SUMWQHHRSA-N 1 2 388.892 2.023 20 0 GEADLO C[N@H+]1CC[C@@H](CNC(=O)CC2CS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000632200387 532589464 /nfs/dbraw/zinc/58/94/64/532589464.db2.gz GFKZKVOQVIWSCQ-SUMWQHHRSA-N 1 2 388.892 2.023 20 0 GEADLO CN(CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C(=O)c1ccc(Br)o1 ZINC000434277278 532589681 /nfs/dbraw/zinc/58/96/81/532589681.db2.gz PPUVYARQKKHYFR-UHFFFAOYSA-N 1 2 395.257 2.243 20 0 GEADLO CN(CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(=O)c1ccc(Br)o1 ZINC000434277278 532589687 /nfs/dbraw/zinc/58/96/87/532589687.db2.gz PPUVYARQKKHYFR-UHFFFAOYSA-N 1 2 395.257 2.243 20 0 GEADLO COC[C@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1CCCO1 ZINC000434265219 532590291 /nfs/dbraw/zinc/59/02/91/532590291.db2.gz UOWHXFXFOLUFEB-KBPBESRZSA-N 1 2 397.273 2.090 20 0 GEADLO CO[C@@H]1COC[C@@H]1NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000655495276 532591298 /nfs/dbraw/zinc/59/12/98/532591298.db2.gz LGBASXBCFGHDFD-XHSDSOJGSA-N 1 2 383.286 2.116 20 0 GEADLO CN1CCC2(CC[NH+](CC(=O)Nc3ccccc3Br)CC2)C1=O ZINC000376030515 532592192 /nfs/dbraw/zinc/59/21/92/532592192.db2.gz DJFPNCSERMIOHF-UHFFFAOYSA-N 1 2 380.286 2.332 20 0 GEADLO Ic1cnc(NCc2ccc[nH+]c2N2CCCC2)nc1 ZINC000596357177 532592430 /nfs/dbraw/zinc/59/24/30/532592430.db2.gz MTZTVGJSVMNDRR-UHFFFAOYSA-N 1 2 381.221 2.689 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)C[C@H]1COCCO1 ZINC000595736033 532571411 /nfs/dbraw/zinc/57/14/11/532571411.db2.gz LMWNIWXANORPAV-NSHDSACASA-N 1 2 391.251 2.066 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000595736033 532571419 /nfs/dbraw/zinc/57/14/19/532571419.db2.gz LMWNIWXANORPAV-NSHDSACASA-N 1 2 391.251 2.066 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000595803303 532574838 /nfs/dbraw/zinc/57/48/38/532574838.db2.gz TXGJLPKOHQLLNB-YVEFUNNKSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000595803303 532574846 /nfs/dbraw/zinc/57/48/46/532574846.db2.gz TXGJLPKOHQLLNB-YVEFUNNKSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000595800170 532575247 /nfs/dbraw/zinc/57/52/47/532575247.db2.gz HSBVUCRGGAWJQL-CXAGYDPISA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000595800170 532575252 /nfs/dbraw/zinc/57/52/52/532575252.db2.gz HSBVUCRGGAWJQL-CXAGYDPISA-N 1 2 392.279 2.387 20 0 GEADLO COC(=O)c1cnc([C@H]2CCC[N@H+](CC(=O)NCc3cccs3)C2)s1 ZINC000595916703 532576919 /nfs/dbraw/zinc/57/69/19/532576919.db2.gz WIBKUVTWCOVRQO-LBPRGKRZSA-N 1 2 379.507 2.487 20 0 GEADLO COC(=O)c1cnc([C@H]2CCC[N@@H+](CC(=O)NCc3cccs3)C2)s1 ZINC000595916703 532576922 /nfs/dbraw/zinc/57/69/22/532576922.db2.gz WIBKUVTWCOVRQO-LBPRGKRZSA-N 1 2 379.507 2.487 20 0 GEADLO Cc1nc(NC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)nn1C ZINC000297280330 532578345 /nfs/dbraw/zinc/57/83/45/532578345.db2.gz DZZARMAVELFVAE-UHFFFAOYSA-N 1 2 378.234 2.164 20 0 GEADLO NS(=O)(=O)c1cc2c(cc1Cl)N(Cc1[nH+]ccn1CC(F)(F)F)CC2 ZINC000528764643 532579850 /nfs/dbraw/zinc/57/98/50/532579850.db2.gz BHQAWDSKHHZLBL-UHFFFAOYSA-N 1 2 394.806 2.309 20 0 GEADLO COc1cccc2sc(NC(=O)C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)nc21 ZINC000528784975 532581037 /nfs/dbraw/zinc/58/10/37/532581037.db2.gz QCODSTVGFOGZOS-PUXAFBORSA-N 1 2 379.507 2.229 20 0 GEADLO COc1cccc2sc(NC(=O)C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)nc21 ZINC000528784975 532581041 /nfs/dbraw/zinc/58/10/41/532581041.db2.gz QCODSTVGFOGZOS-PUXAFBORSA-N 1 2 379.507 2.229 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cncc(Br)c1)C(C)(C)CO ZINC000297564315 532596023 /nfs/dbraw/zinc/59/60/23/532596023.db2.gz HHGRXHFDJWMHHE-GFCCVEGCSA-N 1 2 382.262 2.459 20 0 GEADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528776520 532581807 /nfs/dbraw/zinc/58/18/07/532581807.db2.gz WRTJACAIVKHSPH-IJEWVQPXSA-N 1 2 382.551 2.235 20 0 GEADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528776520 532581814 /nfs/dbraw/zinc/58/18/14/532581814.db2.gz WRTJACAIVKHSPH-IJEWVQPXSA-N 1 2 382.551 2.235 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2c[nH]c(=O)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000632143766 532582005 /nfs/dbraw/zinc/58/20/05/532582005.db2.gz ZTCZSWKUFJRILN-WCQYABFASA-N 1 2 391.877 2.365 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)c2c[nH]c(=O)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000632143766 532582008 /nfs/dbraw/zinc/58/20/08/532582008.db2.gz ZTCZSWKUFJRILN-WCQYABFASA-N 1 2 391.877 2.365 20 0 GEADLO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cc1Cl ZINC000261990415 532582136 /nfs/dbraw/zinc/58/21/36/532582136.db2.gz KELLWUULJBCFJT-CQSZACIVSA-N 1 2 389.308 2.371 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2cc(F)ccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000632500867 532615270 /nfs/dbraw/zinc/61/52/70/532615270.db2.gz FOHGDAREJFZQQJ-CABCVRRESA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)Cc1c(F)cccc1Cl ZINC000632501417 532615295 /nfs/dbraw/zinc/61/52/95/532615295.db2.gz BSLSKZAYEOQLBD-JKSUJKDBSA-N 1 2 390.908 2.398 20 0 GEADLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cc(C(=O)OC)oc3C)sc2C1 ZINC000376535093 532615389 /nfs/dbraw/zinc/61/53/89/532615389.db2.gz KNXQWEMKZXFKLE-UHFFFAOYSA-N 1 2 385.467 2.010 20 0 GEADLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cc(C(=O)OC)oc3C)sc2C1 ZINC000376535093 532615399 /nfs/dbraw/zinc/61/53/99/532615399.db2.gz KNXQWEMKZXFKLE-UHFFFAOYSA-N 1 2 385.467 2.010 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)c1 ZINC000632501439 532615924 /nfs/dbraw/zinc/61/59/24/532615924.db2.gz MQHFSTJBDICXNP-HOTGVXAUSA-N 1 2 388.917 2.126 20 0 GEADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ncsc1Br ZINC000566580077 532617104 /nfs/dbraw/zinc/61/71/04/532617104.db2.gz NMGHNVFQQXZYEY-UHFFFAOYSA-N 1 2 395.326 2.458 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000376545231 532617327 /nfs/dbraw/zinc/61/73/27/532617327.db2.gz IKXQVFSLJAGCMQ-LLVKDONJSA-N 1 2 384.424 2.031 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000376545231 532617335 /nfs/dbraw/zinc/61/73/35/532617335.db2.gz IKXQVFSLJAGCMQ-LLVKDONJSA-N 1 2 384.424 2.031 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)NCCn2cc[nH+]c2)c1 ZINC000297993190 532617788 /nfs/dbraw/zinc/61/77/88/532617788.db2.gz ZBHKEDQEWAERQR-OAHLLOKOSA-N 1 2 397.273 2.029 20 0 GEADLO Cc1ccc(C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)cc1Br ZINC000473722599 532598015 /nfs/dbraw/zinc/59/80/15/532598015.db2.gz GCNSGGQPMLIEBD-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(c1nc(C)[nH+]c(N(C)C)n1)C2 ZINC000596566941 532598705 /nfs/dbraw/zinc/59/87/05/532598705.db2.gz NSUUGMLGVSWABT-UHFFFAOYSA-N 1 2 398.286 2.377 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(c1nc(N(C)C)nc(C)[nH+]1)C2 ZINC000596566941 532598710 /nfs/dbraw/zinc/59/87/10/532598710.db2.gz NSUUGMLGVSWABT-UHFFFAOYSA-N 1 2 398.286 2.377 20 0 GEADLO CCS(=O)(=O)CCN(C)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000297650068 532600041 /nfs/dbraw/zinc/60/00/41/532600041.db2.gz ZSUSXTDWFPUJGJ-INIZCTEOSA-N 1 2 387.571 2.087 20 0 GEADLO Cc1cc(NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)nc(C2CC2)[nH+]1 ZINC000376195925 532601746 /nfs/dbraw/zinc/60/17/46/532601746.db2.gz FBGXKOSVSLVDOD-CYBMUJFWSA-N 1 2 378.523 2.847 20 0 GEADLO Cc1csc(C2CC[NH+](CCS(=O)(=O)CC(=O)OC(C)(C)C)CC2)n1 ZINC000376641482 532621602 /nfs/dbraw/zinc/62/16/02/532621602.db2.gz LNNHOLHPLJEFAF-UHFFFAOYSA-N 1 2 388.555 2.387 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000566300722 532603078 /nfs/dbraw/zinc/60/30/78/532603078.db2.gz IQHGYAYKLFJCHJ-CYBMUJFWSA-N 1 2 386.823 2.123 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cnc(Cl)c(Br)c1 ZINC000297677442 532603027 /nfs/dbraw/zinc/60/30/27/532603027.db2.gz GTLZUPVSLQNJAU-ZWNOBZJWSA-N 1 2 388.693 2.433 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cn2ccc(Br)cc2n1 ZINC000376220568 532603308 /nfs/dbraw/zinc/60/33/08/532603308.db2.gz RFRQGUDKTZDCPB-TZMCWYRMSA-N 1 2 393.285 2.032 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000474034274 532605335 /nfs/dbraw/zinc/60/53/35/532605335.db2.gz PFUPODWFINAMOF-RISCZKNCSA-N 1 2 376.284 2.047 20 0 GEADLO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CC(C[NH+]2CCOCC2)C1 ZINC000632355653 532605488 /nfs/dbraw/zinc/60/54/88/532605488.db2.gz QTMNMAVHYZWMCB-UHFFFAOYSA-N 1 2 383.272 2.085 20 0 GEADLO CC(=O)NC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CCO1 ZINC000529535317 532606170 /nfs/dbraw/zinc/60/61/70/532606170.db2.gz UAYUSKYDEWTTMT-LBPRGKRZSA-N 1 2 399.314 2.238 20 0 GEADLO CC(=O)NC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CCO1 ZINC000529535317 532606178 /nfs/dbraw/zinc/60/61/78/532606178.db2.gz UAYUSKYDEWTTMT-LBPRGKRZSA-N 1 2 399.314 2.238 20 0 GEADLO OCc1nnc2n1CC[N@@H+](Cc1c[nH]nc1-c1ccc(Br)s1)C2 ZINC000529530640 532606209 /nfs/dbraw/zinc/60/62/09/532606209.db2.gz OEZDZSBQIWXVQG-UHFFFAOYSA-N 1 2 395.286 2.000 20 0 GEADLO OCc1nnc2n1CC[N@H+](Cc1c[nH]nc1-c1ccc(Br)s1)C2 ZINC000529530640 532606217 /nfs/dbraw/zinc/60/62/17/532606217.db2.gz OEZDZSBQIWXVQG-UHFFFAOYSA-N 1 2 395.286 2.000 20 0 GEADLO O=C(C1CC[NH+](Cc2ncc(Br)cc2F)CC1)N1CCOCC1 ZINC000529520127 532606414 /nfs/dbraw/zinc/60/64/14/532606414.db2.gz LRGQEEZSUUZDCO-UHFFFAOYSA-N 1 2 386.265 2.054 20 0 GEADLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ncc(Br)cc2F)CC1 ZINC000529522665 532606875 /nfs/dbraw/zinc/60/68/75/532606875.db2.gz XUEIZEAFQVNTPA-GFCCVEGCSA-N 1 2 387.297 2.016 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ncc(Br)cc1F ZINC000529524145 532606903 /nfs/dbraw/zinc/60/69/03/532606903.db2.gz MEXHGNDZGVGQEY-GFCCVEGCSA-N 1 2 394.310 2.277 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ncc(Br)cc1F ZINC000529524145 532606907 /nfs/dbraw/zinc/60/69/07/532606907.db2.gz MEXHGNDZGVGQEY-GFCCVEGCSA-N 1 2 394.310 2.277 20 0 GEADLO CN1C(=O)NC2(CC[NH+](Cc3ncc(Cl)cc3Br)CC2)C1=O ZINC000529567746 532607990 /nfs/dbraw/zinc/60/79/90/532607990.db2.gz PGLZSJZFLZZYCS-UHFFFAOYSA-N 1 2 387.665 2.014 20 0 GEADLO Cc1cc(Br)cn2c(CN3C[C@](C)(CO)[C@](C)(CO)C3)c[nH+]c12 ZINC000529668317 532611530 /nfs/dbraw/zinc/61/15/30/532611530.db2.gz JHRQMOGJKSDCDW-CALCHBBNSA-N 1 2 382.302 2.218 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000476683342 532645911 /nfs/dbraw/zinc/64/59/11/532645911.db2.gz WACJBXNATIYQQS-UHFFFAOYSA-N 1 2 379.869 2.101 20 0 GEADLO C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1ccc(Br)s1 ZINC000436141020 532626529 /nfs/dbraw/zinc/62/65/29/532626529.db2.gz UVDLAXISFZOYNH-QWRGUYRKSA-N 1 2 375.336 2.117 20 0 GEADLO C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1ccc(Br)s1 ZINC000436141020 532626533 /nfs/dbraw/zinc/62/65/33/532626533.db2.gz UVDLAXISFZOYNH-QWRGUYRKSA-N 1 2 375.336 2.117 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2Br)C1 ZINC000376812725 532629626 /nfs/dbraw/zinc/62/96/26/532629626.db2.gz ZVFHRIUPHJMKER-CYBMUJFWSA-N 1 2 377.304 2.057 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC000376812725 532629633 /nfs/dbraw/zinc/62/96/33/532629633.db2.gz ZVFHRIUPHJMKER-CYBMUJFWSA-N 1 2 377.304 2.057 20 0 GEADLO O=C(NCCn1cc[nH+]c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000298167801 532631822 /nfs/dbraw/zinc/63/18/22/532631822.db2.gz QCCGJQZPAYDCBI-UHFFFAOYSA-N 1 2 381.885 2.439 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000263676927 532633576 /nfs/dbraw/zinc/63/35/76/532633576.db2.gz NNSPMIGCBHVXJG-UHFFFAOYSA-N 1 2 380.242 2.155 20 0 GEADLO C[C@@H](O)CCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000475044735 532636187 /nfs/dbraw/zinc/63/61/87/532636187.db2.gz BNLBUBAYGKPWMW-GFCCVEGCSA-N 1 2 381.325 2.461 20 0 GEADLO C[C@@H](O)CCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000475046614 532636199 /nfs/dbraw/zinc/63/61/99/532636199.db2.gz IGNVJDDARCQLJD-GFCCVEGCSA-N 1 2 381.325 2.461 20 0 GEADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436535615 532636280 /nfs/dbraw/zinc/63/62/80/532636280.db2.gz NUCCGFWMUMYBGE-ZDUSSCGKSA-N 1 2 388.295 2.372 20 0 GEADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436535615 532636286 /nfs/dbraw/zinc/63/62/86/532636286.db2.gz NUCCGFWMUMYBGE-ZDUSSCGKSA-N 1 2 388.295 2.372 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCn1cc(Br)cn1 ZINC000377030238 532637078 /nfs/dbraw/zinc/63/70/78/532637078.db2.gz KZNKFESJMLXYQZ-UHFFFAOYSA-N 1 2 381.278 2.020 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000632668076 532637683 /nfs/dbraw/zinc/63/76/83/532637683.db2.gz NWWNYDUFZTZFLE-CYBMUJFWSA-N 1 2 377.242 2.104 20 0 GEADLO O=c1[nH]c2cc(Br)c(S(=O)(=O)N3CCc4c[nH+]ccc43)cc2[nH]1 ZINC000531956501 532641395 /nfs/dbraw/zinc/64/13/95/532641395.db2.gz KUHIKGVSSNZRFQ-UHFFFAOYSA-N 1 2 395.238 2.177 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000632730511 532642523 /nfs/dbraw/zinc/64/25/23/532642523.db2.gz MVKZBZBWPNAFLW-UHFFFAOYSA-N 1 2 388.287 2.368 20 0 GEADLO COc1ccc(CCC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cc1Br ZINC000263817342 532642678 /nfs/dbraw/zinc/64/26/78/532642678.db2.gz YRNRXRDFVJYXOQ-AWEZNQCLSA-N 1 2 398.345 2.142 20 0 GEADLO C[N@@H+]1CC[C@@H](CNC(=O)C2(S(C)(=O)=O)CCC2)[C@H]1c1cccc(Cl)c1 ZINC000377091253 532643043 /nfs/dbraw/zinc/64/30/43/532643043.db2.gz MASRUXXGJDJFEO-GOEBONIOSA-N 1 2 384.929 2.416 20 0 GEADLO C[N@H+]1CC[C@@H](CNC(=O)C2(S(C)(=O)=O)CCC2)[C@H]1c1cccc(Cl)c1 ZINC000377091253 532643047 /nfs/dbraw/zinc/64/30/47/532643047.db2.gz MASRUXXGJDJFEO-GOEBONIOSA-N 1 2 384.929 2.416 20 0 GEADLO Cc1cc(N2C[C@@H](C(=O)NCc3[nH+]ccn3C)CC2=O)ccc1Br ZINC000264285984 532669193 /nfs/dbraw/zinc/66/91/93/532669193.db2.gz JGAOUBXPZWNMLX-LBPRGKRZSA-N 1 2 391.269 2.160 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000377570795 532662329 /nfs/dbraw/zinc/66/23/29/532662329.db2.gz HHVFNNKBNBWZIH-UHFFFAOYSA-N 1 2 375.531 2.167 20 0 GEADLO CCc1nc(C[N@@H+]2CCCN(C(=O)CCSCC(=O)OC)CC2)cs1 ZINC000377585331 532662468 /nfs/dbraw/zinc/66/24/68/532662468.db2.gz RTRJHCZIYQIIOQ-UHFFFAOYSA-N 1 2 385.555 2.036 20 0 GEADLO CCc1nc(C[N@H+]2CCCN(C(=O)CCSCC(=O)OC)CC2)cs1 ZINC000377585331 532662473 /nfs/dbraw/zinc/66/24/73/532662473.db2.gz RTRJHCZIYQIIOQ-UHFFFAOYSA-N 1 2 385.555 2.036 20 0 GEADLO CCN(CC)c1ccc(CNC(=O)Cn2cc(Br)ccc2=O)c[nH+]1 ZINC000298604751 532662952 /nfs/dbraw/zinc/66/29/52/532662952.db2.gz WLGUOWFCDHVSCS-UHFFFAOYSA-N 1 2 393.285 2.168 20 0 GEADLO COC(=O)[C@]1([NH2+]CCc2cnn(C)c2)CCc2cc(Br)ccc2C1 ZINC000599592846 532667751 /nfs/dbraw/zinc/66/77/51/532667751.db2.gz ATXKVWKXNMJKGM-SFHVURJKSA-N 1 2 392.297 2.415 20 0 GEADLO COC(=O)[C@]1(NCc2c[nH+]cn2C)CCc2cc(Br)ccc2C1 ZINC000599594240 532667774 /nfs/dbraw/zinc/66/77/74/532667774.db2.gz MMHJASDEVFLMAV-KRWDZBQOSA-N 1 2 378.270 2.373 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCc1csc(Br)c1)[NH+]1CCOCC1 ZINC000264259843 532668410 /nfs/dbraw/zinc/66/84/10/532668410.db2.gz LSVMVXDSMOTRFL-WDEREUQCSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H](NC(=O)NCc1csc(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000264259833 532668445 /nfs/dbraw/zinc/66/84/45/532668445.db2.gz LSVMVXDSMOTRFL-MNOVXSKESA-N 1 2 376.320 2.419 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCc2cccc(Br)c2C1 ZINC000532301965 532648289 /nfs/dbraw/zinc/64/82/89/532648289.db2.gz FPFKAUPJPTYAKU-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCc2cccc(Br)c2C1 ZINC000532301965 532648297 /nfs/dbraw/zinc/64/82/97/532648297.db2.gz FPFKAUPJPTYAKU-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO CCN1CC[C@H]([NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)C1=O ZINC000660010512 532668765 /nfs/dbraw/zinc/66/87/65/532668765.db2.gz BMSGCQXEOWKVMI-INIZCTEOSA-N 1 2 384.293 2.327 20 0 GEADLO CSCc1nnc(SCCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000298456149 532650631 /nfs/dbraw/zinc/65/06/31/532650631.db2.gz RXXUUZZDOIWWJG-UHFFFAOYSA-N 1 2 379.511 2.159 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000656983731 532653347 /nfs/dbraw/zinc/65/33/47/532653347.db2.gz TXUBPGNUGMUILT-CQSZACIVSA-N 1 2 390.908 2.353 20 0 GEADLO COC(=O)c1ccc(CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000437231907 532653533 /nfs/dbraw/zinc/65/35/33/532653533.db2.gz LFNMKTMQRJWWKR-UHFFFAOYSA-N 1 2 376.356 2.347 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]2CCCO2)C1 ZINC000534098382 532669468 /nfs/dbraw/zinc/66/94/68/532669468.db2.gz MPGSQQVQIJYAOM-KGLIPLIRSA-N 1 2 387.885 2.237 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]2CCCO2)C1 ZINC000534098382 532669470 /nfs/dbraw/zinc/66/94/70/532669470.db2.gz MPGSQQVQIJYAOM-KGLIPLIRSA-N 1 2 387.885 2.237 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CSC(=S)N1CCC(C)CC1 ZINC000377380661 532656252 /nfs/dbraw/zinc/65/62/52/532656252.db2.gz RAPKICAIJOTMDW-JKSUJKDBSA-N 1 2 385.599 2.058 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000567497847 532656449 /nfs/dbraw/zinc/65/64/49/532656449.db2.gz QDGOQGMYHGONBZ-UHFFFAOYSA-N 1 2 382.302 2.496 20 0 GEADLO O=S(=O)(c1cc(Br)cnc1Cl)N1CC[NH+](C2CCC2)CC1 ZINC000264931854 532683934 /nfs/dbraw/zinc/68/39/34/532683934.db2.gz AWPJDKVMVWKCJE-UHFFFAOYSA-N 1 2 394.722 2.356 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285489624 532684808 /nfs/dbraw/zinc/68/48/08/532684808.db2.gz DMLHZWPAGDAQJE-CQSZACIVSA-N 1 2 387.933 2.190 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285489624 532684817 /nfs/dbraw/zinc/68/48/17/532684817.db2.gz DMLHZWPAGDAQJE-CQSZACIVSA-N 1 2 387.933 2.190 20 0 GEADLO Cc1sc2nc([C@H](C)[N@@H+]3CCC[C@@H](CS(N)(=O)=O)C3)[nH]c(=O)c2c1C ZINC000264999676 532685669 /nfs/dbraw/zinc/68/56/69/532685669.db2.gz DOJDDGGPHHXKGH-CMPLNLGQSA-N 1 2 384.527 2.075 20 0 GEADLO Cc1sc2nc([C@H](C)[N@H+]3CCC[C@@H](CS(N)(=O)=O)C3)[nH]c(=O)c2c1C ZINC000264999676 532685675 /nfs/dbraw/zinc/68/56/75/532685675.db2.gz DOJDDGGPHHXKGH-CMPLNLGQSA-N 1 2 384.527 2.075 20 0 GEADLO CN(C1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000378255768 532685831 /nfs/dbraw/zinc/68/58/31/532685831.db2.gz XKASDRDTVBYKCD-UHFFFAOYSA-N 1 2 381.889 2.002 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000298950727 532685834 /nfs/dbraw/zinc/68/58/34/532685834.db2.gz CTOOJHJJLUNQSE-DOMZBBRYSA-N 1 2 391.269 2.203 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(I)ccc2O)C1 ZINC000378262428 532686512 /nfs/dbraw/zinc/68/65/12/532686512.db2.gz MUBYPBVDODFIQX-SNVBAGLBSA-N 1 2 397.216 2.360 20 0 GEADLO NC(=O)c1ccc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)nc1 ZINC000298735833 532671110 /nfs/dbraw/zinc/67/11/10/532671110.db2.gz IIJUBWHFEHCVMS-UHFFFAOYSA-N 1 2 375.270 2.265 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000264411195 532671571 /nfs/dbraw/zinc/67/15/71/532671571.db2.gz HUKJBFFMSXGMQY-CQSZACIVSA-N 1 2 380.330 2.233 20 0 GEADLO CSCCCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000568786565 532686594 /nfs/dbraw/zinc/68/65/94/532686594.db2.gz HNMDCHQPVQTDDK-CQSZACIVSA-N 1 2 383.945 2.415 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000298759308 532672792 /nfs/dbraw/zinc/67/27/92/532672792.db2.gz KGROFYZZMPQIEJ-UHFFFAOYSA-N 1 2 394.269 2.089 20 0 GEADLO O=C(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1ccc(Br)cc1 ZINC000635393848 532672842 /nfs/dbraw/zinc/67/28/42/532672842.db2.gz CNIDNBUVGWUSHJ-CHWSQXEVSA-N 1 2 377.242 2.421 20 0 GEADLO O=C(CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1ccc(Br)cc1 ZINC000635393848 532672856 /nfs/dbraw/zinc/67/28/56/532672856.db2.gz CNIDNBUVGWUSHJ-CHWSQXEVSA-N 1 2 377.242 2.421 20 0 GEADLO NS(=O)(=O)c1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)co1 ZINC000660776789 532675063 /nfs/dbraw/zinc/67/50/63/532675063.db2.gz OPPQNLYRCBQBIP-GFCCVEGCSA-N 1 2 382.404 2.108 20 0 GEADLO NS(=O)(=O)c1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)co1 ZINC000660776789 532675072 /nfs/dbraw/zinc/67/50/72/532675072.db2.gz OPPQNLYRCBQBIP-GFCCVEGCSA-N 1 2 382.404 2.108 20 0 GEADLO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+](C2CC2)C2(CO)CCC2)c1 ZINC000660774121 532675478 /nfs/dbraw/zinc/67/54/78/532675478.db2.gz RBAAJVDWCGBMSQ-UHFFFAOYSA-N 1 2 386.901 2.061 20 0 GEADLO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+](C2CC2)C2(CO)CCC2)c1 ZINC000660774121 532675486 /nfs/dbraw/zinc/67/54/86/532675486.db2.gz RBAAJVDWCGBMSQ-UHFFFAOYSA-N 1 2 386.901 2.061 20 0 GEADLO C[C@@H]1CCN(C(=O)NCc2c(Br)cnn2C)C[C@H]1n1cc[nH+]c1 ZINC000637632816 532678466 /nfs/dbraw/zinc/67/84/66/532678466.db2.gz QPTXINBVMVHUSX-BXUZGUMPSA-N 1 2 381.278 2.172 20 0 GEADLO Cc1cc(Br)ccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000378158302 532681986 /nfs/dbraw/zinc/68/19/86/532681986.db2.gz KQWDZWSWZLXIPG-GOSISDBHSA-N 1 2 397.313 2.369 20 0 GEADLO COCCc1ncc(C[N@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)s1 ZINC000638119966 532682248 /nfs/dbraw/zinc/68/22/48/532682248.db2.gz BVOMRIYWHBAEBC-UHFFFAOYSA-N 1 2 383.539 2.051 20 0 GEADLO COCCc1ncc(C[N@@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)s1 ZINC000638119966 532682252 /nfs/dbraw/zinc/68/22/52/532682252.db2.gz BVOMRIYWHBAEBC-UHFFFAOYSA-N 1 2 383.539 2.051 20 0 GEADLO Cc1cc(Br)ccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000378158303 532682272 /nfs/dbraw/zinc/68/22/72/532682272.db2.gz KQWDZWSWZLXIPG-SFHVURJKSA-N 1 2 397.313 2.369 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)sc1Br ZINC000378376249 532692944 /nfs/dbraw/zinc/69/29/44/532692944.db2.gz ILRHTNRLDQHPHU-VIFPVBQESA-N 1 2 391.316 2.126 20 0 GEADLO CCc1[nH]nc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)c1Br ZINC000640444847 532694783 /nfs/dbraw/zinc/69/47/83/532694783.db2.gz LZVKDXXVGJIXLJ-UHFFFAOYSA-N 1 2 378.274 2.482 20 0 GEADLO CN1C(=O)CSC12CC[NH+](CC(=O)Nc1ccccc1Br)CC2 ZINC000378624315 532700210 /nfs/dbraw/zinc/70/02/10/532700210.db2.gz OVAWSNYVKUCTOQ-UHFFFAOYSA-N 1 2 398.326 2.385 20 0 GEADLO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000638787534 532687039 /nfs/dbraw/zinc/68/70/39/532687039.db2.gz LRHVTCNLYIBHOG-GFCCVEGCSA-N 1 2 385.898 2.294 20 0 GEADLO C[C@@H](c1cccc(F)c1)[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439282838 532688157 /nfs/dbraw/zinc/68/81/57/532688157.db2.gz IBBYVXWGOGBJGW-NSHDSACASA-N 1 2 383.411 2.337 20 0 GEADLO Cc1ccc(C)c(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 ZINC000439271089 532688669 /nfs/dbraw/zinc/68/86/69/532688669.db2.gz IELPFQIBMAMMOE-UHFFFAOYSA-N 1 2 379.448 2.254 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000663992093 532689037 /nfs/dbraw/zinc/68/90/37/532689037.db2.gz VSCGDMAZHIQLCT-WFASDCNBSA-N 1 2 390.311 2.389 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000663992093 532689045 /nfs/dbraw/zinc/68/90/45/532689045.db2.gz VSCGDMAZHIQLCT-WFASDCNBSA-N 1 2 390.311 2.389 20 0 GEADLO C[C@@H](O)CNc1cc(N(C)C[C@@H](O)c2ccccc2Br)nc[nH+]1 ZINC000299009234 532689984 /nfs/dbraw/zinc/68/99/84/532689984.db2.gz SITGPQVZLXKJCW-BXUZGUMPSA-N 1 2 381.274 2.202 20 0 GEADLO C[C@@H](O)CNc1cc(N(C)C[C@@H](O)c2ccccc2Br)[nH+]cn1 ZINC000299009234 532689989 /nfs/dbraw/zinc/68/99/89/532689989.db2.gz SITGPQVZLXKJCW-BXUZGUMPSA-N 1 2 381.274 2.202 20 0 GEADLO CC(C)[C@@H]1CN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC[N@@H+]1C ZINC000575227749 532718160 /nfs/dbraw/zinc/71/81/60/532718160.db2.gz UKZLEBJTIVZESF-QEJZJMRPSA-N 1 2 385.555 2.337 20 0 GEADLO CC(C)[C@@H]1CN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC[N@H+]1C ZINC000575227749 532718163 /nfs/dbraw/zinc/71/81/63/532718163.db2.gz UKZLEBJTIVZESF-QEJZJMRPSA-N 1 2 385.555 2.337 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000537103572 532704186 /nfs/dbraw/zinc/70/41/86/532704186.db2.gz FVJJQEAXIPMFHK-MRVPVSSYSA-N 1 2 384.811 2.314 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)cc(F)c1Br ZINC000299274440 532706133 /nfs/dbraw/zinc/70/61/33/532706133.db2.gz LDXINLRINYQQQO-UHFFFAOYSA-N 1 2 381.205 2.074 20 0 GEADLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000266210405 532707981 /nfs/dbraw/zinc/70/79/81/532707981.db2.gz GCSAALBCSXECCK-ZDUSSCGKSA-N 1 2 377.286 2.426 20 0 GEADLO CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000299364638 532712533 /nfs/dbraw/zinc/71/25/33/532712533.db2.gz WUKZYCCIXRFVJF-LBPRGKRZSA-N 1 2 386.265 2.375 20 0 GEADLO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000299364638 532712542 /nfs/dbraw/zinc/71/25/42/532712542.db2.gz WUKZYCCIXRFVJF-LBPRGKRZSA-N 1 2 386.265 2.375 20 0 GEADLO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000285843483 532713758 /nfs/dbraw/zinc/71/37/58/532713758.db2.gz JHUDNORGVCJQJW-UHFFFAOYSA-N 1 2 393.285 2.074 20 0 GEADLO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000538744425 532718339 /nfs/dbraw/zinc/71/83/39/532718339.db2.gz NIDBWWQFHOXLLJ-LLVKDONJSA-N 1 2 389.315 2.019 20 0 GEADLO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000538744425 532718347 /nfs/dbraw/zinc/71/83/47/532718347.db2.gz NIDBWWQFHOXLLJ-LLVKDONJSA-N 1 2 389.315 2.019 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000408253076 532714704 /nfs/dbraw/zinc/71/47/04/532714704.db2.gz DWMZCRAORAGTKR-UHFFFAOYSA-N 1 2 379.309 2.215 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2sc(C)cc2OC(F)F)C[C@@H]1C ZINC000538680010 532714725 /nfs/dbraw/zinc/71/47/25/532714725.db2.gz HTQYCGMKFMIIOC-JTQLQIEISA-N 1 2 376.425 2.367 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2sc(C)cc2OC(F)F)C[C@@H]1C ZINC000538680010 532714727 /nfs/dbraw/zinc/71/47/27/532714727.db2.gz HTQYCGMKFMIIOC-JTQLQIEISA-N 1 2 376.425 2.367 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(F)c(Br)c1 ZINC000266368101 532715861 /nfs/dbraw/zinc/71/58/61/532715861.db2.gz QSOXIPWBHURVKO-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO COc1cccc([C@@H]2[C@H](NS(=O)(=O)c3cscn3)CC[N@@H+]2C2CC2)c1 ZINC000575056904 532716003 /nfs/dbraw/zinc/71/60/03/532716003.db2.gz ZKJOOGNAYVFFNO-NVXWUHKLSA-N 1 2 379.507 2.408 20 0 GEADLO COc1cccc([C@@H]2[C@H](NS(=O)(=O)c3cscn3)CC[N@H+]2C2CC2)c1 ZINC000575056904 532716009 /nfs/dbraw/zinc/71/60/09/532716009.db2.gz ZKJOOGNAYVFFNO-NVXWUHKLSA-N 1 2 379.507 2.408 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@@H+](Cc3nc(-c4ccc(Br)s4)no3)CC[C@@H]21 ZINC000285888228 532716662 /nfs/dbraw/zinc/71/66/62/532716662.db2.gz SDDNTNUOPUCQAO-BDAKNGLRSA-N 1 2 398.286 2.159 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@H+](Cc3nc(-c4ccc(Br)s4)no3)CC[C@@H]21 ZINC000285888228 532716669 /nfs/dbraw/zinc/71/66/69/532716669.db2.gz SDDNTNUOPUCQAO-BDAKNGLRSA-N 1 2 398.286 2.159 20 0 GEADLO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000538744426 532717744 /nfs/dbraw/zinc/71/77/44/532717744.db2.gz NIDBWWQFHOXLLJ-NSHDSACASA-N 1 2 389.315 2.019 20 0 GEADLO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000538744426 532717749 /nfs/dbraw/zinc/71/77/49/532717749.db2.gz NIDBWWQFHOXLLJ-NSHDSACASA-N 1 2 389.315 2.019 20 0 GEADLO C[C@H](Cc1cccc(Br)c1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000285933830 532720677 /nfs/dbraw/zinc/72/06/77/532720677.db2.gz MJUTVCLYZDUHOG-YGRLFVJLSA-N 1 2 377.242 2.266 20 0 GEADLO C[C@H](Cc1cccc(Br)c1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000285933830 532720682 /nfs/dbraw/zinc/72/06/82/532720682.db2.gz MJUTVCLYZDUHOG-YGRLFVJLSA-N 1 2 377.242 2.266 20 0 GEADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)CC(=O)NCc1cccs1 ZINC000497362439 532721854 /nfs/dbraw/zinc/72/18/54/532721854.db2.gz FOYZHELLKXTLGS-UHFFFAOYSA-N 1 2 379.448 2.343 20 0 GEADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000497362439 532721857 /nfs/dbraw/zinc/72/18/57/532721857.db2.gz FOYZHELLKXTLGS-UHFFFAOYSA-N 1 2 379.448 2.343 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)N[C@H](C)Cn2cc[nH+]c2)ccc1Br ZINC000299502547 532722247 /nfs/dbraw/zinc/72/22/47/532722247.db2.gz JBKPTWGSXVZSNY-GFCCVEGCSA-N 1 2 394.273 2.280 20 0 GEADLO CCCC[N@H+](Cc1nc(CS(C)(=O)=O)no1)[C@H]1CCc2ncsc2C1 ZINC000646129795 532722911 /nfs/dbraw/zinc/72/29/11/532722911.db2.gz TUPPQGKJJQAMFO-LBPRGKRZSA-N 1 2 384.527 2.230 20 0 GEADLO CCCC[N@@H+](Cc1nc(CS(C)(=O)=O)no1)[C@H]1CCc2ncsc2C1 ZINC000646129795 532722917 /nfs/dbraw/zinc/72/29/17/532722917.db2.gz TUPPQGKJJQAMFO-LBPRGKRZSA-N 1 2 384.527 2.230 20 0 GEADLO OC[C@@H](CC(F)(F)F)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000576151870 532725330 /nfs/dbraw/zinc/72/53/30/532725330.db2.gz QVRSHUUERACBDP-SECBINFHSA-N 1 2 379.180 2.433 20 0 GEADLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N(CCO)Cc1cc(Br)ccc1F ZINC000613034263 532725885 /nfs/dbraw/zinc/72/58/85/532725885.db2.gz QWXPEZVIJZPAKX-NSHDSACASA-N 1 2 396.260 2.437 20 0 GEADLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N(CCO)Cc1cc(Br)ccc1F ZINC000613034263 532725889 /nfs/dbraw/zinc/72/58/89/532725889.db2.gz QWXPEZVIJZPAKX-NSHDSACASA-N 1 2 396.260 2.437 20 0 GEADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000299555028 532726054 /nfs/dbraw/zinc/72/60/54/532726054.db2.gz RIODKRHLIJBAHK-UHFFFAOYSA-N 1 2 383.857 2.349 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)c2sccc2S(N)(=O)=O)[C@H]1c1ccc(Cl)cc1 ZINC000613108725 532727178 /nfs/dbraw/zinc/72/71/78/532727178.db2.gz VNZDRCWAONIWTC-GXTWGEPZSA-N 1 2 399.925 2.224 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2sccc2S(N)(=O)=O)[C@H]1c1ccc(Cl)cc1 ZINC000613108725 532727185 /nfs/dbraw/zinc/72/71/85/532727185.db2.gz VNZDRCWAONIWTC-GXTWGEPZSA-N 1 2 399.925 2.224 20 0 GEADLO C[C@]12CCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)C[C@H]1C2(Cl)Cl ZINC000286090372 532727617 /nfs/dbraw/zinc/72/76/17/532727617.db2.gz FFBAHQYKUCWXPX-PBHICJAKSA-N 1 2 383.323 2.246 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@]34CCc3cc(Br)ccc34)C[C@H]21 ZINC000409826144 532728668 /nfs/dbraw/zinc/72/86/68/532728668.db2.gz DFLYTMPIAXUQAC-FAJBIJEISA-N 1 2 391.309 2.194 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@]34CCc3cc(Br)ccc34)C[C@H]21 ZINC000409826144 532728673 /nfs/dbraw/zinc/72/86/73/532728673.db2.gz DFLYTMPIAXUQAC-FAJBIJEISA-N 1 2 391.309 2.194 20 0 GEADLO CC1(C)OCC[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000576799263 532729553 /nfs/dbraw/zinc/72/95/53/532729553.db2.gz MFNFMXQHDCMUAB-ZDUSSCGKSA-N 1 2 399.289 2.370 20 0 GEADLO O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673782019 532731699 /nfs/dbraw/zinc/73/16/99/532731699.db2.gz MNHPEGLPNKYFRY-ZDUSSCGKSA-N 1 2 386.279 2.255 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[NH+]1CC(C)C1 ZINC000577073519 532731950 /nfs/dbraw/zinc/73/19/50/532731950.db2.gz OWEQIGOFZIRNKP-CYBMUJFWSA-N 1 2 385.917 2.403 20 0 GEADLO Cc1cc(S(N)(=O)=O)sc1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000539525374 532732516 /nfs/dbraw/zinc/73/25/16/532732516.db2.gz NTSVRYYKTUCPBD-UHFFFAOYSA-N 1 2 376.463 2.024 20 0 GEADLO Cn1cc(Br)c2ccc(S(=O)(=O)N3CC(n4cc[nH+]c4)C3)cc21 ZINC000645646245 532718859 /nfs/dbraw/zinc/71/88/59/532718859.db2.gz RPRJWDQEIFSWCW-UHFFFAOYSA-N 1 2 395.282 2.383 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCCCNC(=O)c1ccccc1 ZINC000301150934 532742353 /nfs/dbraw/zinc/74/23/53/532742353.db2.gz JYCPRFYUAVABRL-UHFFFAOYSA-N 1 2 389.257 2.358 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NC[C@H]1COc2ccccc2O1 ZINC000301204066 532745306 /nfs/dbraw/zinc/74/53/06/532745306.db2.gz XZKBQONZDSAKSU-VIFPVBQESA-N 1 2 376.214 2.378 20 0 GEADLO Cc1cc(NC(=O)[C@H](C)[N@H+](C)CCNC(=O)N(C)C)ccc1Br ZINC000540827028 532745399 /nfs/dbraw/zinc/74/53/99/532745399.db2.gz QLVULLNJLWLLGC-LBPRGKRZSA-N 1 2 385.306 2.288 20 0 GEADLO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)N(C)C)ccc1Br ZINC000540827028 532745400 /nfs/dbraw/zinc/74/54/00/532745400.db2.gz QLVULLNJLWLLGC-LBPRGKRZSA-N 1 2 385.306 2.288 20 0 GEADLO Cn1ncc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c(Br)c1=O ZINC000301258760 532747473 /nfs/dbraw/zinc/74/74/73/532747473.db2.gz UNAYNLCLZNWVJY-VMPITWQZSA-N 1 2 389.297 2.378 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000286269672 532737540 /nfs/dbraw/zinc/73/75/40/532737540.db2.gz DYVLWTIWAXFUSN-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)NCc1cc(Cl)ccc1Br ZINC000578505289 532737641 /nfs/dbraw/zinc/73/76/41/532737641.db2.gz NLTPPHWCDUGRTJ-UHFFFAOYSA-N 1 2 399.676 2.122 20 0 GEADLO CC(C)(C)c1nc(CN2CCN(C(=O)[C@H]([NH3+])c3cscn3)CC2)cs1 ZINC000578502259 532737763 /nfs/dbraw/zinc/73/77/63/532737763.db2.gz JLLFKFICUYDWQG-CQSZACIVSA-N 1 2 379.555 2.241 20 0 GEADLO Cc1cnc(N)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000501160593 532738110 /nfs/dbraw/zinc/73/81/10/532738110.db2.gz CIVUKCSCICWSIT-ZBFHGGJFSA-N 1 2 380.901 2.349 20 0 GEADLO Cc1cnc(N)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000501160593 532738117 /nfs/dbraw/zinc/73/81/17/532738117.db2.gz CIVUKCSCICWSIT-ZBFHGGJFSA-N 1 2 380.901 2.349 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(I)c2)C(C)(C)C1 ZINC000501191287 532740001 /nfs/dbraw/zinc/74/00/01/532740001.db2.gz GTMSUFRCMHMIFR-UHFFFAOYSA-N 1 2 394.278 2.006 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)c2cccc(I)c2)C(C)(C)C1 ZINC000501191287 532740003 /nfs/dbraw/zinc/74/00/03/532740003.db2.gz GTMSUFRCMHMIFR-UHFFFAOYSA-N 1 2 394.278 2.006 20 0 GEADLO CCn1cnc2c(c1=O)CC[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)C2 ZINC000286317203 532740095 /nfs/dbraw/zinc/74/00/95/532740095.db2.gz WJDFQLGOZRPPLN-MRXNPFEDSA-N 1 2 396.260 2.257 20 0 GEADLO CCn1cnc2c(c1=O)CC[N@@H+](C[C@@H](O)c1ccc(F)c(Br)c1)C2 ZINC000286317203 532740097 /nfs/dbraw/zinc/74/00/97/532740097.db2.gz WJDFQLGOZRPPLN-MRXNPFEDSA-N 1 2 396.260 2.257 20 0 GEADLO CO[C@@H]1CCC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000579320855 532740255 /nfs/dbraw/zinc/74/02/55/532740255.db2.gz LPRXNOYSRPQBJO-TZMCWYRMSA-N 1 2 399.289 2.370 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(Cc3c(Br)cncc3Br)C[C@H]21 ZINC000579298970 532740688 /nfs/dbraw/zinc/74/06/88/532740688.db2.gz BTFBZFVDMXKILD-OLZOCXBDSA-N 1 2 391.107 2.121 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(Cc3c(Br)cncc3Br)C[C@H]21 ZINC000579298970 532740691 /nfs/dbraw/zinc/74/06/91/532740691.db2.gz BTFBZFVDMXKILD-OLZOCXBDSA-N 1 2 391.107 2.121 20 0 GEADLO CN1CC[NH+]([C@@H](CNC(=O)CCn2cc(Cl)cn2)c2cccs2)CC1 ZINC000614525832 532741215 /nfs/dbraw/zinc/74/12/15/532741215.db2.gz MOKPSXHCSWUDOD-HNNXBMFYSA-N 1 2 381.933 2.093 20 0 GEADLO CN(Cc1cccc(Br)c1Cl)C[C@@H](O)C[NH+]1CCOCC1 ZINC000411303514 532754513 /nfs/dbraw/zinc/75/45/13/532754513.db2.gz AGWZSKDGJULDRW-CYBMUJFWSA-N 1 2 377.710 2.227 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000286577016 532756658 /nfs/dbraw/zinc/75/66/58/532756658.db2.gz PZOOVXTWBIFMSB-NHYWBVRUSA-N 1 2 378.416 2.223 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000286577016 532756661 /nfs/dbraw/zinc/75/66/61/532756661.db2.gz PZOOVXTWBIFMSB-NHYWBVRUSA-N 1 2 378.416 2.223 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)c1ccc(Cl)cc1 ZINC000581507350 532756905 /nfs/dbraw/zinc/75/69/05/532756905.db2.gz TWJPQCQUDVRBOH-HOTGVXAUSA-N 1 2 384.929 2.274 20 0 GEADLO CCc1c[nH+]ccc1NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000507710029 532759031 /nfs/dbraw/zinc/75/90/31/532759031.db2.gz OYQPPJOVOXRKEQ-UHFFFAOYSA-N 1 2 376.214 2.314 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)ncc1Cl ZINC000286651221 532759777 /nfs/dbraw/zinc/75/97/77/532759777.db2.gz DQPUKRPCFFBNGC-QWRGUYRKSA-N 1 2 388.693 2.433 20 0 GEADLO CSc1ccc(OC[C@@H](O)C[NH+]2CCN(c3nc(C)ns3)CC2)cc1 ZINC000411393492 532760149 /nfs/dbraw/zinc/76/01/49/532760149.db2.gz WTCQJPPVCOSXSD-AWEZNQCLSA-N 1 2 380.539 2.130 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)Cc2c(F)cccc2Cl)C1 ZINC000451037315 532761274 /nfs/dbraw/zinc/76/12/74/532761274.db2.gz OHDHPFGVWIQWGY-CYBMUJFWSA-N 1 2 378.897 2.255 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)Cc2c(F)cccc2Cl)C1 ZINC000451037315 532761278 /nfs/dbraw/zinc/76/12/78/532761278.db2.gz OHDHPFGVWIQWGY-CYBMUJFWSA-N 1 2 378.897 2.255 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000268318534 532761473 /nfs/dbraw/zinc/76/14/73/532761473.db2.gz MFGIZXIADDOHEC-UHFFFAOYSA-N 1 2 391.313 2.379 20 0 GEADLO CC(C)(C(N)=O)N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000268318534 532761478 /nfs/dbraw/zinc/76/14/78/532761478.db2.gz MFGIZXIADDOHEC-UHFFFAOYSA-N 1 2 391.313 2.379 20 0 GEADLO O=C(NCCCCNc1cccc[nH+]1)NCCn1cc(Br)cn1 ZINC000286700611 532762724 /nfs/dbraw/zinc/76/27/24/532762724.db2.gz DTEZDVMQTNSIPI-UHFFFAOYSA-N 1 2 381.278 2.232 20 0 GEADLO C[C@@H](Nc1cc[nH+]c2c(Br)ccc(F)c12)C(=O)N1CCOCC1 ZINC000443514532 532748499 /nfs/dbraw/zinc/74/84/99/532748499.db2.gz YCTNLQOJGSASSS-SNVBAGLBSA-N 1 2 382.233 2.218 20 0 GEADLO C[C@H](Nc1cc[nH+]c2c(Br)ccc(F)c12)C(=O)N1CCOCC1 ZINC000443514531 532748810 /nfs/dbraw/zinc/74/88/10/532748810.db2.gz YCTNLQOJGSASSS-JTQLQIEISA-N 1 2 382.233 2.218 20 0 GEADLO Cc1c2cccc(Br)c2oc1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000541175665 532749216 /nfs/dbraw/zinc/74/92/16/532749216.db2.gz XVPGCQWLJOCQAU-UHFFFAOYSA-N 1 2 394.269 2.055 20 0 GEADLO Cc1c2cccc(Br)c2oc1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000541175665 532749218 /nfs/dbraw/zinc/74/92/18/532749218.db2.gz XVPGCQWLJOCQAU-UHFFFAOYSA-N 1 2 394.269 2.055 20 0 GEADLO Cc1nnc(CC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)s1 ZINC000616145337 532750396 /nfs/dbraw/zinc/75/03/96/532750396.db2.gz LGQPITSDKNYCKE-UHFFFAOYSA-N 1 2 398.286 2.022 20 0 GEADLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000301557419 532752985 /nfs/dbraw/zinc/75/29/85/532752985.db2.gz NSUIFWZDWRLHHZ-GFCCVEGCSA-N 1 2 390.285 2.221 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445786632 532753897 /nfs/dbraw/zinc/75/38/97/532753897.db2.gz WCBGVLLZPJASEC-CQSZACIVSA-N 1 2 380.279 2.476 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445786632 532753901 /nfs/dbraw/zinc/75/39/01/532753901.db2.gz WCBGVLLZPJASEC-CQSZACIVSA-N 1 2 380.279 2.476 20 0 GEADLO CS(=O)(=O)c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)o1 ZINC000411762815 532774780 /nfs/dbraw/zinc/77/47/80/532774780.db2.gz XWKYBMPCJRAVIU-ZDUSSCGKSA-N 1 2 392.246 2.408 20 0 GEADLO COC(=O)C1([NH2+]CCC(=O)Nc2ccccc2Br)CCOCC1 ZINC000411789793 532776185 /nfs/dbraw/zinc/77/61/85/532776185.db2.gz ITQKNMRZLYYSHT-UHFFFAOYSA-N 1 2 385.258 2.090 20 0 GEADLO O=C(N1CC[NH+](CCO)CC1)C1(c2ccc(Br)cc2)CCCC1 ZINC000302987785 532776310 /nfs/dbraw/zinc/77/63/10/532776310.db2.gz VNHFQDAPGVPEAC-UHFFFAOYSA-N 1 2 381.314 2.397 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)C[C@H]1CCCCC1(F)F)[NH+]1CCN(C)CC1 ZINC000583065564 532763937 /nfs/dbraw/zinc/76/39/37/532763937.db2.gz LMDVOYRSZHNCEK-HZPDHXFCSA-N 1 2 381.533 2.003 20 0 GEADLO CCOCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542054258 532764384 /nfs/dbraw/zinc/76/43/84/532764384.db2.gz DMIVWVNJHZKMTE-ZBFHGGJFSA-N 1 2 380.432 2.195 20 0 GEADLO CCOCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542054258 532764390 /nfs/dbraw/zinc/76/43/90/532764390.db2.gz DMIVWVNJHZKMTE-ZBFHGGJFSA-N 1 2 380.432 2.195 20 0 GEADLO CC(=O)OCCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000286749970 532766762 /nfs/dbraw/zinc/76/67/62/532766762.db2.gz UUJMNUNFHQZSNA-HNNXBMFYSA-N 1 2 385.873 2.036 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000542248383 532767674 /nfs/dbraw/zinc/76/76/74/532767674.db2.gz DECZSXQICCIDMN-BHYNMZESSA-N 1 2 387.263 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000542248383 532767678 /nfs/dbraw/zinc/76/76/78/532767678.db2.gz DECZSXQICCIDMN-BHYNMZESSA-N 1 2 387.263 2.421 20 0 GEADLO CN1CCN(c2cc(NCCc3ccc(Br)s3)[nH+]cn2)CC1=O ZINC000302211685 532768830 /nfs/dbraw/zinc/76/88/30/532768830.db2.gz DKPVIHCUTRYRLE-UHFFFAOYSA-N 1 2 396.314 2.234 20 0 GEADLO CN1CCN(c2cc(NCCc3ccc(Br)s3)nc[nH+]2)CC1=O ZINC000302211685 532768835 /nfs/dbraw/zinc/76/88/35/532768835.db2.gz DKPVIHCUTRYRLE-UHFFFAOYSA-N 1 2 396.314 2.234 20 0 GEADLO CC(CCN1C[C@H](C)S(=O)[C@@H](C)C1)CC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000411625350 532771267 /nfs/dbraw/zinc/77/12/67/532771267.db2.gz VYFOSJHMAWUQGI-XSLAGTTESA-N 1 2 376.632 2.085 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2cc(Br)cc(F)c21 ZINC000268829096 532772064 /nfs/dbraw/zinc/77/20/64/532772064.db2.gz KSSLAQNKHFOCEE-GFCCVEGCSA-N 1 2 399.308 2.296 20 0 GEADLO Cc1nc(N2CCN(S(=O)(=O)CCc3cccc(Cl)c3)CC2)cc[nH+]1 ZINC000510021440 532772345 /nfs/dbraw/zinc/77/23/45/532772345.db2.gz ZCEZQWNROJRJSP-UHFFFAOYSA-N 1 2 380.901 2.133 20 0 GEADLO Cc1ccccc1C[C@H](CO)Nc1[nH+]cnc2c1c(Br)nn2C ZINC000302702896 532772368 /nfs/dbraw/zinc/77/23/68/532772368.db2.gz IUGVOYOECMQPAZ-GFCCVEGCSA-N 1 2 376.258 2.450 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000314983506 532782138 /nfs/dbraw/zinc/78/21/38/532782138.db2.gz FNLUBBSZWDFONB-UHFFFAOYSA-N 1 2 388.287 2.413 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+]([C@@H](C)C(=O)Nc2nc3ccccc3s2)C1 ZINC000412069628 532784454 /nfs/dbraw/zinc/78/44/54/532784454.db2.gz HOVRGQJDWJZIQA-RYUDHWBXSA-N 1 2 379.507 2.461 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+]([C@@H](C)C(=O)Nc2nc3ccccc3s2)C1 ZINC000412069628 532784459 /nfs/dbraw/zinc/78/44/59/532784459.db2.gz HOVRGQJDWJZIQA-RYUDHWBXSA-N 1 2 379.507 2.461 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412103092 532785422 /nfs/dbraw/zinc/78/54/22/532785422.db2.gz KTMCCMGMWSMVOV-GPCCPHFNSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412103092 532785425 /nfs/dbraw/zinc/78/54/25/532785425.db2.gz KTMCCMGMWSMVOV-GPCCPHFNSA-N 1 2 380.794 2.361 20 0 GEADLO Cc1cc(=O)c(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)c[nH]1 ZINC000546822121 532785648 /nfs/dbraw/zinc/78/56/48/532785648.db2.gz QSQASXQPNOQDMF-UHFFFAOYSA-N 1 2 375.226 2.332 20 0 GEADLO CC[C@@H]1C[C@@H](C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)CC(=O)N1 ZINC000546822612 532786190 /nfs/dbraw/zinc/78/61/90/532786190.db2.gz BECVFQBDHHRMQX-DGCLKSJQSA-N 1 2 393.285 2.326 20 0 GEADLO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457103985 532786253 /nfs/dbraw/zinc/78/62/53/532786253.db2.gz CNJGADLTVLOABY-STQMWFEESA-N 1 2 387.343 2.455 20 0 GEADLO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457103985 532786255 /nfs/dbraw/zinc/78/62/55/532786255.db2.gz CNJGADLTVLOABY-STQMWFEESA-N 1 2 387.343 2.455 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cnc1Cl ZINC000287225358 532787184 /nfs/dbraw/zinc/78/71/84/532787184.db2.gz IWNXFBZJQUMPNW-JQWIXIFHSA-N 1 2 388.693 2.433 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)[NH+]1CCSCC1 ZINC000269717015 532787409 /nfs/dbraw/zinc/78/74/09/532787409.db2.gz QEHOAZZPQFCQIN-ZDUSSCGKSA-N 1 2 385.555 2.139 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2csc(Br)c2C)C1 ZINC000412368740 532789002 /nfs/dbraw/zinc/78/90/02/532789002.db2.gz NEYDODWGYMPIBI-LLVKDONJSA-N 1 2 389.315 2.434 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2csc(Br)c2C)C1 ZINC000412368740 532789005 /nfs/dbraw/zinc/78/90/05/532789005.db2.gz NEYDODWGYMPIBI-LLVKDONJSA-N 1 2 389.315 2.434 20 0 GEADLO CN1CC[NH+](CCC(C)(C)NC(=O)c2cccc(Br)c2O)CC1 ZINC000548439939 532790687 /nfs/dbraw/zinc/79/06/87/532790687.db2.gz SZGRWZZFDOUGRD-UHFFFAOYSA-N 1 2 384.318 2.301 20 0 GEADLO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cccc(Br)c2O)CC1 ZINC000548439939 532790690 /nfs/dbraw/zinc/79/06/90/532790690.db2.gz SZGRWZZFDOUGRD-UHFFFAOYSA-N 1 2 384.318 2.301 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000412435084 532792335 /nfs/dbraw/zinc/79/23/35/532792335.db2.gz KPNVBSXKNGINBN-UHFFFAOYSA-N 1 2 389.265 2.007 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cnc(C)c(Cl)c2Cl)CC1 ZINC000412433868 532792457 /nfs/dbraw/zinc/79/24/57/532792457.db2.gz FFCZGZBGIHRRTJ-UHFFFAOYSA-N 1 2 376.284 2.116 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000412438813 532792571 /nfs/dbraw/zinc/79/25/71/532792571.db2.gz VCDZJUIPXAVHOG-UHFFFAOYSA-N 1 2 389.265 2.007 20 0 GEADLO CCN(CCS(C)(=O)=O)C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000269905908 532792778 /nfs/dbraw/zinc/79/27/78/532792778.db2.gz IUMYDBDJUCRZCX-OAHLLOKOSA-N 1 2 375.560 2.207 20 0 GEADLO Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c(Br)n1 ZINC000270064165 532793597 /nfs/dbraw/zinc/79/35/97/532793597.db2.gz VQHYAJTWEWIAJM-UHFFFAOYSA-N 1 2 391.269 2.314 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000270169474 532795101 /nfs/dbraw/zinc/79/51/01/532795101.db2.gz HIGYFKNXZJRHBU-QMMMGPOBSA-N 1 2 380.214 2.291 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000287035261 532780193 /nfs/dbraw/zinc/78/01/93/532780193.db2.gz HESDVZSRUQODPQ-MLGOLLRUSA-N 1 2 390.311 2.437 20 0 GEADLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)c1ccc(I)cn1 ZINC000456002291 532781237 /nfs/dbraw/zinc/78/12/37/532781237.db2.gz UCAKQRCWWJPNJN-JTQLQIEISA-N 1 2 382.205 2.190 20 0 GEADLO COC[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000554901028 532805777 /nfs/dbraw/zinc/80/57/77/532805777.db2.gz OYQJXAJXVWMSSH-IUIKQTSFSA-N 1 2 378.897 2.426 20 0 GEADLO COC[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000554901028 532805781 /nfs/dbraw/zinc/80/57/81/532805781.db2.gz OYQJXAJXVWMSSH-IUIKQTSFSA-N 1 2 378.897 2.426 20 0 GEADLO C[C@@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1)[NH+]1CCSCC1 ZINC000329392147 532806389 /nfs/dbraw/zinc/80/63/89/532806389.db2.gz RYYNBRRKCKKPDZ-WFASDCNBSA-N 1 2 383.514 2.103 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)N2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329481853 532807201 /nfs/dbraw/zinc/80/72/01/532807201.db2.gz VZTFVVUUZYWPIK-HOCLYGCPSA-N 1 2 377.432 2.169 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)N2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329481853 532807203 /nfs/dbraw/zinc/80/72/03/532807203.db2.gz VZTFVVUUZYWPIK-HOCLYGCPSA-N 1 2 377.432 2.169 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)N3CC[C@H](C)C3)CC2)cs1 ZINC000329491776 532807990 /nfs/dbraw/zinc/80/79/90/532807990.db2.gz VRLVZHZTETWLEG-AWEZNQCLSA-N 1 2 386.587 2.094 20 0 GEADLO O=S(=O)(NCCCNc1cc(NC2CC2)nc[nH+]1)c1ccccc1Cl ZINC000413277854 532808314 /nfs/dbraw/zinc/80/83/14/532808314.db2.gz XXGXHVQSYVBPQB-UHFFFAOYSA-N 1 2 381.889 2.485 20 0 GEADLO O=S(=O)(NCCCNc1cc(NC2CC2)[nH+]cn1)c1ccccc1Cl ZINC000413277854 532808316 /nfs/dbraw/zinc/80/83/16/532808316.db2.gz XXGXHVQSYVBPQB-UHFFFAOYSA-N 1 2 381.889 2.485 20 0 GEADLO C[C@H](O)[C@@H]1CCN(c2cc(NCCCn3cc(Br)cn3)[nH+]cn2)C1 ZINC000413300047 532809265 /nfs/dbraw/zinc/80/92/65/532809265.db2.gz MRNPGLYEJXABRA-QWHCGFSZSA-N 1 2 395.305 2.145 20 0 GEADLO C[C@H](O)[C@@H]1CCN(c2cc(NCCCn3cc(Br)cn3)nc[nH+]2)C1 ZINC000413300047 532809266 /nfs/dbraw/zinc/80/92/66/532809266.db2.gz MRNPGLYEJXABRA-QWHCGFSZSA-N 1 2 395.305 2.145 20 0 GEADLO CC(C)Nc1nc(N[C@@H](C)c2ccc(Br)cn2)nc(NCCO)[nH+]1 ZINC000287791811 532809418 /nfs/dbraw/zinc/80/94/18/532809418.db2.gz OVGGSTJEESJSGD-JTQLQIEISA-N 1 2 396.293 2.427 20 0 GEADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H](C)c2ccc(Br)cn2)n1 ZINC000287791811 532809421 /nfs/dbraw/zinc/80/94/21/532809421.db2.gz OVGGSTJEESJSGD-JTQLQIEISA-N 1 2 396.293 2.427 20 0 GEADLO Cc1cn2cc(NC(=O)c3c(I)cnn3C)ccc2[nH+]1 ZINC000555708954 532809743 /nfs/dbraw/zinc/80/97/43/532809743.db2.gz XQPRXUYIWJECKN-UHFFFAOYSA-N 1 2 381.177 2.233 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271589648 532809800 /nfs/dbraw/zinc/80/98/00/532809800.db2.gz DBLCOYALVWOUOJ-NSHDSACASA-N 1 2 392.257 2.220 20 0 GEADLO CSC1(CNC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CCC1 ZINC000555703952 532809810 /nfs/dbraw/zinc/80/98/10/532809810.db2.gz RAFWLMRERHTSKN-OAHLLOKOSA-N 1 2 383.945 2.461 20 0 GEADLO C[C@@H](c1nncn1C)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000287826473 532810984 /nfs/dbraw/zinc/81/09/84/532810984.db2.gz PYJFVTBLBKUUSZ-NSHDSACASA-N 1 2 393.289 2.384 20 0 GEADLO CNC(=O)c1cccc(NC(=O)NCCCn2cc[nH+]c2)c1Br ZINC000287489282 532797509 /nfs/dbraw/zinc/79/75/09/532797509.db2.gz SNNLSJXZRYSKTP-UHFFFAOYSA-N 1 2 380.246 2.217 20 0 GEADLO CCn1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000328812833 532797755 /nfs/dbraw/zinc/79/77/55/532797755.db2.gz FUNMECSRDDEPKO-HOTGVXAUSA-N 1 2 386.880 2.419 20 0 GEADLO CCn1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000328812833 532797759 /nfs/dbraw/zinc/79/77/59/532797759.db2.gz FUNMECSRDDEPKO-HOTGVXAUSA-N 1 2 386.880 2.419 20 0 GEADLO Cn1nc2c(c1C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)CCCC2 ZINC000461086659 532799437 /nfs/dbraw/zinc/79/94/37/532799437.db2.gz LRIAUXFPTRTYLB-INIZCTEOSA-N 1 2 377.286 2.378 20 0 GEADLO Cn1cc(N2CC[NH+](Cc3cccc(I)c3)CC2)cn1 ZINC000551560731 532800028 /nfs/dbraw/zinc/80/00/28/532800028.db2.gz RYEOAWRKRLWHHH-UHFFFAOYSA-N 1 2 382.249 2.347 20 0 GEADLO C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270664403 532801022 /nfs/dbraw/zinc/80/10/22/532801022.db2.gz RAPWGUKJEGBPEU-SWLSCSKDSA-N 1 2 390.908 2.411 20 0 GEADLO C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270664403 532801026 /nfs/dbraw/zinc/80/10/26/532801026.db2.gz RAPWGUKJEGBPEU-SWLSCSKDSA-N 1 2 390.908 2.411 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC(F)(F)F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000556376172 532811155 /nfs/dbraw/zinc/81/11/55/532811155.db2.gz XCYDSQSVUXKBPC-UKRRQHHQSA-N 1 2 380.432 2.148 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC(F)(F)F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000556376172 532811156 /nfs/dbraw/zinc/81/11/56/532811156.db2.gz XCYDSQSVUXKBPC-UKRRQHHQSA-N 1 2 380.432 2.148 20 0 GEADLO CN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000329061060 532802054 /nfs/dbraw/zinc/80/20/54/532802054.db2.gz ZEPMBLBNPSMCMB-JSGCOSHPSA-N 1 2 388.942 2.064 20 0 GEADLO CN(C(=O)C[N@@H+](C)[C@H]1CCSC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000329061060 532802057 /nfs/dbraw/zinc/80/20/57/532802057.db2.gz ZEPMBLBNPSMCMB-JSGCOSHPSA-N 1 2 388.942 2.064 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000287614323 532803083 /nfs/dbraw/zinc/80/30/83/532803083.db2.gz DXRTVQXMTMLNGM-AWEZNQCLSA-N 1 2 393.289 2.009 20 0 GEADLO C[C@H](NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@@H]1CCOC1 ZINC000556668495 532811532 /nfs/dbraw/zinc/81/15/32/532811532.db2.gz DDFIWLHOIOZNFX-NWDGAFQWSA-N 1 2 399.289 2.227 20 0 GEADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000272220702 532813825 /nfs/dbraw/zinc/81/38/25/532813825.db2.gz NKOPSZKAHGBWTN-UHFFFAOYSA-N 1 2 382.313 2.120 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1ccncc1Br ZINC000272696439 532816755 /nfs/dbraw/zinc/81/67/55/532816755.db2.gz RYBQNUOPIDDWHM-UHFFFAOYSA-N 1 2 395.261 2.017 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1cccc(Br)c1 ZINC000288094530 532817139 /nfs/dbraw/zinc/81/71/39/532817139.db2.gz KQXUPQUYARNFKX-CZUORRHYSA-N 1 2 382.302 2.454 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000330425726 532818699 /nfs/dbraw/zinc/81/86/99/532818699.db2.gz GHOOLYAOERGYCH-UHFFFAOYSA-N 1 2 396.329 2.007 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000330475036 532819207 /nfs/dbraw/zinc/81/92/07/532819207.db2.gz JGESLBSPFDQGRS-LLVKDONJSA-N 1 2 382.860 2.253 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000330475036 532819211 /nfs/dbraw/zinc/81/92/11/532819211.db2.gz JGESLBSPFDQGRS-LLVKDONJSA-N 1 2 382.860 2.253 20 0 GEADLO CC1(C)C[NH+]=C(N2CCN(S(=O)(=O)c3cnc(Cl)c(F)c3)CC2)S1 ZINC000288170941 532819722 /nfs/dbraw/zinc/81/97/22/532819722.db2.gz OSCTULRJJZIEMO-UHFFFAOYSA-N 1 2 392.909 2.062 20 0 GEADLO CCN(CCCO)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273410352 532823283 /nfs/dbraw/zinc/82/32/83/532823283.db2.gz CSPYBOGHZTWXTN-UHFFFAOYSA-N 1 2 383.290 2.362 20 0 GEADLO COC(=O)[C@@H](CF)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000288370235 532825436 /nfs/dbraw/zinc/82/54/36/532825436.db2.gz QSAHJSBYLHMNDZ-ZIAGYGMSSA-N 1 2 387.249 2.213 20 0 GEADLO CCO[C@@H]1C[C@H](Nc2[nH+]cnc3c2c(Br)nn3C)[C@]12CCCO2 ZINC000273553946 532826262 /nfs/dbraw/zinc/82/62/62/532826262.db2.gz ZHTBKVGDSLZIKG-FEUHOPSXSA-N 1 2 382.262 2.264 20 0 GEADLO COc1cc(Br)ccc1C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000330792730 532827049 /nfs/dbraw/zinc/82/70/49/532827049.db2.gz CGEDTBBYTBIPQX-AWEZNQCLSA-N 1 2 391.331 2.360 20 0 GEADLO COc1cc(Br)ccc1C[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000330792730 532827053 /nfs/dbraw/zinc/82/70/53/532827053.db2.gz CGEDTBBYTBIPQX-AWEZNQCLSA-N 1 2 391.331 2.360 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330854868 532827962 /nfs/dbraw/zinc/82/79/62/532827962.db2.gz HOXAEUHOBQWULB-VXGBXAGGSA-N 1 2 389.315 2.143 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330854868 532827963 /nfs/dbraw/zinc/82/79/63/532827963.db2.gz HOXAEUHOBQWULB-VXGBXAGGSA-N 1 2 389.315 2.143 20 0 GEADLO Cn1nncc1CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000288531069 532830495 /nfs/dbraw/zinc/83/04/95/532830495.db2.gz GWNLAXVJWUBLKR-HNNXBMFYSA-N 1 2 378.274 2.031 20 0 GEADLO COCCN1C(=O)N[C@H]2C[N@@H+](Cc3cc(C)c(Br)s3)CC[C@H]21 ZINC000414466554 532829653 /nfs/dbraw/zinc/82/96/53/532829653.db2.gz VXIYVGYEIUZBMF-QWHCGFSZSA-N 1 2 388.331 2.434 20 0 GEADLO COCCN1C(=O)N[C@H]2C[N@H+](Cc3cc(C)c(Br)s3)CC[C@H]21 ZINC000414466554 532829654 /nfs/dbraw/zinc/82/96/54/532829654.db2.gz VXIYVGYEIUZBMF-QWHCGFSZSA-N 1 2 388.331 2.434 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@H](C)C1 ZINC000331219060 532836068 /nfs/dbraw/zinc/83/60/68/532836068.db2.gz IFHFWGDIAWMTDH-ZJUUUORDSA-N 1 2 385.288 2.208 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@H](C)C1 ZINC000331219060 532836071 /nfs/dbraw/zinc/83/60/71/532836071.db2.gz IFHFWGDIAWMTDH-ZJUUUORDSA-N 1 2 385.288 2.208 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@H]1C ZINC000331231816 532836307 /nfs/dbraw/zinc/83/63/07/532836307.db2.gz QXAVUDIJPQIMNG-NXEZZACHSA-N 1 2 385.288 2.208 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@H]1C ZINC000331231816 532836309 /nfs/dbraw/zinc/83/63/09/532836309.db2.gz QXAVUDIJPQIMNG-NXEZZACHSA-N 1 2 385.288 2.208 20 0 GEADLO CC(=O)N1CCC[C@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273816855 532835343 /nfs/dbraw/zinc/83/53/43/532835343.db2.gz DWOIORJPNKZCTH-AWEZNQCLSA-N 1 2 379.258 2.032 20 0 GEADLO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1ccc(Br)cn1 ZINC000288701310 532835546 /nfs/dbraw/zinc/83/55/46/532835546.db2.gz NSADYSVJVVFGBU-IPYPFGDCSA-N 1 2 397.317 2.410 20 0 GEADLO CC(C)[NH+]1CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC1 ZINC000331286783 532837354 /nfs/dbraw/zinc/83/73/54/532837354.db2.gz UJYXDEIBAHXWIF-UHFFFAOYSA-N 1 2 390.303 2.047 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000273939529 532837585 /nfs/dbraw/zinc/83/75/85/532837585.db2.gz GFZXBOCUMUWCII-AWEZNQCLSA-N 1 2 395.301 2.232 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000273939529 532837587 /nfs/dbraw/zinc/83/75/87/532837587.db2.gz GFZXBOCUMUWCII-AWEZNQCLSA-N 1 2 395.301 2.232 20 0 GEADLO COc1cc[nH+]cc1COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000288768868 532837794 /nfs/dbraw/zinc/83/77/94/532837794.db2.gz RHSZCFNGFWUTKM-UHFFFAOYSA-N 1 2 384.841 2.351 20 0 GEADLO C[C@H]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)C[C@@H]1n1cc[nH+]c1 ZINC000331456893 532840227 /nfs/dbraw/zinc/84/02/27/532840227.db2.gz KAXIEIFBYOAVKC-JSGCOSHPSA-N 1 2 382.511 2.141 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000274221599 532844994 /nfs/dbraw/zinc/84/49/94/532844994.db2.gz VGYZAJZHXYTPDJ-STQMWFEESA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000274221599 532844996 /nfs/dbraw/zinc/84/49/96/532844996.db2.gz VGYZAJZHXYTPDJ-STQMWFEESA-N 1 2 382.309 2.242 20 0 GEADLO C[C@@H](CNC(=O)C1=Cc2cc(Br)ccc2OC1)[NH+]1CCOCC1 ZINC000331961641 532846851 /nfs/dbraw/zinc/84/68/51/532846851.db2.gz BANMCXCYANCYAE-LBPRGKRZSA-N 1 2 381.270 2.062 20 0 GEADLO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000332083476 532848537 /nfs/dbraw/zinc/84/85/37/532848537.db2.gz BZKUFMUHLKSNAC-BMFZPTHFSA-N 1 2 386.539 2.098 20 0 GEADLO C[N@@H+](Cc1cc2c(cc1Br)OCCO2)C[C@@H]1CCS(=O)(=O)C1 ZINC000332092861 532849026 /nfs/dbraw/zinc/84/90/26/532849026.db2.gz CODKSMIMFCNHBD-NSHDSACASA-N 1 2 390.299 2.087 20 0 GEADLO C[N@H+](Cc1cc2c(cc1Br)OCCO2)C[C@@H]1CCS(=O)(=O)C1 ZINC000332092861 532849028 /nfs/dbraw/zinc/84/90/28/532849028.db2.gz CODKSMIMFCNHBD-NSHDSACASA-N 1 2 390.299 2.087 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274412804 532850199 /nfs/dbraw/zinc/85/01/99/532850199.db2.gz FBKHARGPGOUVGL-VIFPVBQESA-N 1 2 377.670 2.340 20 0 GEADLO C[NH+]1CCN(C(=O)CSc2nnc(-c3cccc(Br)c3)o2)CC1 ZINC000332303014 532852025 /nfs/dbraw/zinc/85/20/25/532852025.db2.gz IBAVLLDMSQFYGT-UHFFFAOYSA-N 1 2 397.298 2.365 20 0 GEADLO Cc1cc(S(C)(=O)=O)cc(NC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1C ZINC000415656493 532852259 /nfs/dbraw/zinc/85/22/59/532852259.db2.gz PCQJCKFVBPUKBB-LBPRGKRZSA-N 1 2 375.441 2.073 20 0 GEADLO CN1CC[C@H]([NH+]2CCC(NC(=O)c3c(O)cc(Cl)cc3Cl)CC2)C1=O ZINC000332351574 532852628 /nfs/dbraw/zinc/85/26/28/532852628.db2.gz AZKOMYNBRNPSTE-ZDUSSCGKSA-N 1 2 386.279 2.124 20 0 GEADLO CCN1CCN(S(=O)(=O)c2cccc(Br)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332368677 532853170 /nfs/dbraw/zinc/85/31/70/532853170.db2.gz UTOJODOVPSJGBH-CQSZACIVSA-N 1 2 399.314 2.240 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H](C)C[C@H](O)C3)[nH+]c12 ZINC000332366898 532852998 /nfs/dbraw/zinc/85/29/98/532852998.db2.gz YBEXMITZIBKDTJ-YGRLFVJLSA-N 1 2 381.274 2.318 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000274621584 532852993 /nfs/dbraw/zinc/85/29/93/532852993.db2.gz KTKWIKYCBIZUDP-UHFFFAOYSA-N 1 2 387.889 2.320 20 0 GEADLO CCN1CCN(C(=O)c2ccc(Br)cc2O)C[C@H]1c1[nH]cc[nH+]1 ZINC000332369720 532853408 /nfs/dbraw/zinc/85/34/08/532853408.db2.gz WMYRQCWDOPITBX-ZDUSSCGKSA-N 1 2 379.258 2.397 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000289428919 532854390 /nfs/dbraw/zinc/85/43/90/532854390.db2.gz CXNGWGQFFRPMPK-GFCCVEGCSA-N 1 2 376.254 2.451 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c(Cl)c1 ZINC000332487197 532856344 /nfs/dbraw/zinc/85/63/44/532856344.db2.gz BCPHIRBGVZCAKV-OCCSQVGLSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c(Cl)c1 ZINC000332487197 532856346 /nfs/dbraw/zinc/85/63/46/532856346.db2.gz BCPHIRBGVZCAKV-OCCSQVGLSA-N 1 2 386.901 2.374 20 0 GEADLO CC(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3cnn(CC(F)F)c3)sc2C1 ZINC000275004084 532861154 /nfs/dbraw/zinc/86/11/54/532861154.db2.gz HNGQAGMKFGAZHG-UHFFFAOYSA-N 1 2 391.469 2.172 20 0 GEADLO CC(C)[N@H+]1CCc2nc(NS(=O)(=O)c3cnn(CC(F)F)c3)sc2C1 ZINC000275004084 532861155 /nfs/dbraw/zinc/86/11/55/532861155.db2.gz HNGQAGMKFGAZHG-UHFFFAOYSA-N 1 2 391.469 2.172 20 0 GEADLO O=c1cc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)nc2sccn21 ZINC000275067950 532862665 /nfs/dbraw/zinc/86/26/65/532862665.db2.gz TVQOLUORQYLHIQ-UHFFFAOYSA-N 1 2 377.857 2.243 20 0 GEADLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000333058860 532863396 /nfs/dbraw/zinc/86/33/96/532863396.db2.gz MRBDDHYLXFNSJB-DJIMGWMZSA-N 1 2 398.297 2.259 20 0 GEADLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000333058860 532863398 /nfs/dbraw/zinc/86/33/98/532863398.db2.gz MRBDDHYLXFNSJB-DJIMGWMZSA-N 1 2 398.297 2.259 20 0 GEADLO COc1ccc(Br)cc1C1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000416147440 532865046 /nfs/dbraw/zinc/86/50/46/532865046.db2.gz BFBDTJJNWMJEDJ-CYBMUJFWSA-N 1 2 397.313 2.326 20 0 GEADLO COc1ccc(Br)cc1C1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000416147440 532865048 /nfs/dbraw/zinc/86/50/48/532865048.db2.gz BFBDTJJNWMJEDJ-CYBMUJFWSA-N 1 2 397.313 2.326 20 0 GEADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000333160713 532865156 /nfs/dbraw/zinc/86/51/56/532865156.db2.gz NNIZZRZDJXXTNW-STQMWFEESA-N 1 2 382.511 2.359 20 0 GEADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000333160713 532865160 /nfs/dbraw/zinc/86/51/60/532865160.db2.gz NNIZZRZDJXXTNW-STQMWFEESA-N 1 2 382.511 2.359 20 0 GEADLO C[C@H]1CN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[S@@](=O)C1 ZINC000333542903 532870383 /nfs/dbraw/zinc/87/03/83/532870383.db2.gz ASFVCZALNXXFIR-MLMJSJRWSA-N 1 2 389.319 2.142 20 0 GEADLO C[C@@H]1CN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[S@@](=O)C1 ZINC000333542905 532870669 /nfs/dbraw/zinc/87/06/69/532870669.db2.gz ASFVCZALNXXFIR-ZQJOYCHOSA-N 1 2 389.319 2.142 20 0 GEADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000290093159 532872158 /nfs/dbraw/zinc/87/21/58/532872158.db2.gz ZSISRZQGEDFJPP-RYUDHWBXSA-N 1 2 380.290 2.423 20 0 GEADLO C[C@@H]1c2nncn2CCN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000333704001 532872233 /nfs/dbraw/zinc/87/22/33/532872233.db2.gz RXGDALWGKFJZKJ-SECBINFHSA-N 1 2 380.250 2.110 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cnc(Br)s2)CC1 ZINC000290135776 532873224 /nfs/dbraw/zinc/87/32/24/532873224.db2.gz VJGJNTPFJPTJPR-UHFFFAOYSA-N 1 2 382.349 2.152 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000290176922 532874589 /nfs/dbraw/zinc/87/45/89/532874589.db2.gz SMWJYXOFACNOPY-UHFFFAOYSA-N 1 2 394.269 2.107 20 0 GEADLO COc1cc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1Cl ZINC000416385156 532874817 /nfs/dbraw/zinc/87/48/17/532874817.db2.gz FSEFXXDPVCCYTE-CQSZACIVSA-N 1 2 388.917 2.082 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)C[C@H]3CCCC(=O)N3)[nH+]c12 ZINC000290238782 532875728 /nfs/dbraw/zinc/87/57/28/532875728.db2.gz JBLNXDRZNVXCCD-CYBMUJFWSA-N 1 2 393.285 2.123 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N1CCC2(CCC2)S(=O)(=O)CC1)c1ccsc1 ZINC000334020525 532877576 /nfs/dbraw/zinc/87/75/76/532877576.db2.gz CSPCLZRUPXRVFG-HNNXBMFYSA-N 1 2 385.555 2.104 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)C[C@@H]1C ZINC000416458746 532878175 /nfs/dbraw/zinc/87/81/75/532878175.db2.gz ZTJLGVDIMFMEKG-RYUDHWBXSA-N 1 2 387.933 2.111 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)C[C@@H]1C ZINC000416458746 532878178 /nfs/dbraw/zinc/87/81/78/532878178.db2.gz ZTJLGVDIMFMEKG-RYUDHWBXSA-N 1 2 387.933 2.111 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N(C)CC3(CO)CC3)[nH+]c12 ZINC000275590206 532879297 /nfs/dbraw/zinc/87/92/97/532879297.db2.gz GFPJVKYOPAZMGR-UHFFFAOYSA-N 1 2 381.274 2.319 20 0 GEADLO OCCO[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000290375576 532879662 /nfs/dbraw/zinc/87/96/62/532879662.db2.gz IBSMCPKINGGLIA-CQSZACIVSA-N 1 2 381.274 2.003 20 0 GEADLO OCCO[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000290375576 532879663 /nfs/dbraw/zinc/87/96/63/532879663.db2.gz IBSMCPKINGGLIA-CQSZACIVSA-N 1 2 381.274 2.003 20 0 GEADLO COCC[N@H+](Cc1cc(OC)c(OC)cc1SC)[C@H]1CCS(=O)(=O)C1 ZINC000290416143 532879913 /nfs/dbraw/zinc/87/99/13/532879913.db2.gz KIOHDCDHZDRABY-AWEZNQCLSA-N 1 2 389.539 2.061 20 0 GEADLO COCC[N@@H+](Cc1cc(OC)c(OC)cc1SC)[C@H]1CCS(=O)(=O)C1 ZINC000290416143 532879915 /nfs/dbraw/zinc/87/99/15/532879915.db2.gz KIOHDCDHZDRABY-AWEZNQCLSA-N 1 2 389.539 2.061 20 0 GEADLO COCCC[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000290517551 532883236 /nfs/dbraw/zinc/88/32/36/532883236.db2.gz UJUALGCIGFBYAV-CQSZACIVSA-N 1 2 381.416 2.437 20 0 GEADLO COCCC[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000290517551 532883238 /nfs/dbraw/zinc/88/32/38/532883238.db2.gz UJUALGCIGFBYAV-CQSZACIVSA-N 1 2 381.416 2.437 20 0 GEADLO O=C(c1cc(Cl)ncc1Br)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000290663261 532886292 /nfs/dbraw/zinc/88/62/92/532886292.db2.gz AWQAYBRRMSTTLC-LLVKDONJSA-N 1 2 388.693 2.434 20 0 GEADLO COc1sc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1Br ZINC000360810520 532890994 /nfs/dbraw/zinc/89/09/94/532890994.db2.gz LKPGCQCVEJSHFC-LLVKDONJSA-N 1 2 395.344 2.175 20 0 GEADLO COc1sc(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1Br ZINC000360810520 532890996 /nfs/dbraw/zinc/89/09/96/532890996.db2.gz LKPGCQCVEJSHFC-LLVKDONJSA-N 1 2 395.344 2.175 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000276267204 532892085 /nfs/dbraw/zinc/89/20/85/532892085.db2.gz UHKCSDGVPDIWDA-CYBMUJFWSA-N 1 2 380.432 2.408 20 0 GEADLO Cc1cccc(C[C@H](CO)Nc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000276276758 532892274 /nfs/dbraw/zinc/89/22/74/532892274.db2.gz HWCIXUKVUCWXJP-GFCCVEGCSA-N 1 2 376.258 2.450 20 0 GEADLO C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cn2ccc(Br)cc2n1 ZINC000290992798 532894249 /nfs/dbraw/zinc/89/42/49/532894249.db2.gz ABSOAPZDGKPQLX-UHFFFAOYSA-N 1 2 380.334 2.166 20 0 GEADLO C[C@@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)c1ccc(Br)cc1 ZINC000290976160 532894445 /nfs/dbraw/zinc/89/44/45/532894445.db2.gz XZWWMCWKKAXGEP-LLVKDONJSA-N 1 2 387.303 2.151 20 0 GEADLO O=C1C[C@H]([NH2+]Cc2c(Br)cncc2Br)CN1C1CC1 ZINC000290929376 532892708 /nfs/dbraw/zinc/89/27/08/532892708.db2.gz RTIFCEQPYBMGHS-QMMMGPOBSA-N 1 2 389.091 2.460 20 0 GEADLO CC(C)(CC[NH3+])NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000424049638 532895348 /nfs/dbraw/zinc/89/53/48/532895348.db2.gz XLFQNRCYCXSDLO-UHFFFAOYSA-N 1 2 381.523 2.335 20 0 GEADLO C[N@@H+]1CCC[C@@H](CNC(=O)NCCS(C)(=O)=O)[C@H]1c1cccc(Cl)c1 ZINC000363247031 532897685 /nfs/dbraw/zinc/89/76/85/532897685.db2.gz HJEALXAZBVVEPV-GOEBONIOSA-N 1 2 387.933 2.067 20 0 GEADLO C[N@H+]1CCC[C@@H](CNC(=O)NCCS(C)(=O)=O)[C@H]1c1cccc(Cl)c1 ZINC000363247031 532897686 /nfs/dbraw/zinc/89/76/86/532897686.db2.gz HJEALXAZBVVEPV-GOEBONIOSA-N 1 2 387.933 2.067 20 0 GEADLO COC(=O)[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000276568760 532897796 /nfs/dbraw/zinc/89/77/96/532897796.db2.gz JZNVCBWVUGTCBH-HNNXBMFYSA-N 1 2 380.242 2.146 20 0 GEADLO COCC[C@H]1COCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000291184800 532898184 /nfs/dbraw/zinc/89/81/84/532898184.db2.gz IFCUUBPBJOLVFL-BBRMVZONSA-N 1 2 385.302 2.364 20 0 GEADLO COCC[C@H]1COCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000291184800 532898185 /nfs/dbraw/zinc/89/81/85/532898185.db2.gz IFCUUBPBJOLVFL-BBRMVZONSA-N 1 2 385.302 2.364 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000363537073 532899268 /nfs/dbraw/zinc/89/92/68/532899268.db2.gz UYRYCFDQOQXJQA-MRXNPFEDSA-N 1 2 381.523 2.332 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000363537073 532899272 /nfs/dbraw/zinc/89/92/72/532899272.db2.gz UYRYCFDQOQXJQA-MRXNPFEDSA-N 1 2 381.523 2.332 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3CC[C@@H](O)C3)[nH+]c12 ZINC000276690325 532899703 /nfs/dbraw/zinc/89/97/03/532899703.db2.gz WBWMLGBAJGVVAS-SWLSCSKDSA-N 1 2 395.301 2.408 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)nc1)NC1CC[NH+](Cc2cscn2)CC1 ZINC000363663576 532899992 /nfs/dbraw/zinc/89/99/92/532899992.db2.gz UURDMUZHWBJEBJ-UHFFFAOYSA-N 1 2 386.930 2.276 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cc(C)ccc1Br)CC2 ZINC000363664757 532900098 /nfs/dbraw/zinc/90/00/98/532900098.db2.gz KIGPMVDJCPGTBT-UHFFFAOYSA-N 1 2 377.242 2.243 20 0 GEADLO COCCO[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000291500795 532903061 /nfs/dbraw/zinc/90/30/61/532903061.db2.gz HKTCVGWVGINXMN-CQSZACIVSA-N 1 2 381.274 2.267 20 0 GEADLO COCCO[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000291500795 532903063 /nfs/dbraw/zinc/90/30/63/532903063.db2.gz HKTCVGWVGINXMN-CQSZACIVSA-N 1 2 381.274 2.267 20 0 GEADLO CC[C@@H](C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C(=O)OC ZINC000276912553 532903431 /nfs/dbraw/zinc/90/34/31/532903431.db2.gz XKCNVGFECHUFJU-ZDUSSCGKSA-N 1 2 382.258 2.263 20 0 GEADLO CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@@H](C)[NH+]2CCSCC2)n1 ZINC000276940573 532903854 /nfs/dbraw/zinc/90/38/54/532903854.db2.gz ZFTJZDDZDADSMC-TZMCWYRMSA-N 1 2 383.539 2.421 20 0 GEADLO C[C@H](CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1ccc(F)c(Br)c1 ZINC000291608277 532905139 /nfs/dbraw/zinc/90/51/39/532905139.db2.gz DFHOODYANLZAOY-OCCSQVGLSA-N 1 2 386.309 2.444 20 0 GEADLO C[C@H](CC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1ccc(F)c(Br)c1 ZINC000291608277 532905141 /nfs/dbraw/zinc/90/51/41/532905141.db2.gz DFHOODYANLZAOY-OCCSQVGLSA-N 1 2 386.309 2.444 20 0 GEADLO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000291637969 532906098 /nfs/dbraw/zinc/90/60/98/532906098.db2.gz SYKICPOYRMJXAQ-WRWORJQWSA-N 1 2 398.120 2.129 20 0 GEADLO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000291659011 532906342 /nfs/dbraw/zinc/90/63/42/532906342.db2.gz BETOKHIXJPTWCD-ZDUSSCGKSA-N 1 2 395.301 2.053 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1nc(C2CC2)ncc1Br ZINC000291673011 532906838 /nfs/dbraw/zinc/90/68/38/532906838.db2.gz CVHXUEWOOOJUMJ-WCQYABFASA-N 1 2 395.301 2.052 20 0 GEADLO Cc1nn(C)c(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1Br ZINC000366191843 532915301 /nfs/dbraw/zinc/91/53/01/532915301.db2.gz UZTZZBMAWTXDCG-LLVKDONJSA-N 1 2 383.294 2.320 20 0 GEADLO Cc1nn(C)c(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1Br ZINC000366191843 532915303 /nfs/dbraw/zinc/91/53/03/532915303.db2.gz UZTZZBMAWTXDCG-LLVKDONJSA-N 1 2 383.294 2.320 20 0 GEADLO C[C@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1nc(C(F)(F)F)cs1 ZINC000366269719 532915821 /nfs/dbraw/zinc/91/58/21/532915821.db2.gz DGTNYUZXCDGEFB-ONGXEEELSA-N 1 2 378.420 2.385 20 0 GEADLO C[C@H](NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1nc(C(F)(F)F)cs1 ZINC000366269719 532915823 /nfs/dbraw/zinc/91/58/23/532915823.db2.gz DGTNYUZXCDGEFB-ONGXEEELSA-N 1 2 378.420 2.385 20 0 GEADLO C[C@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000292382785 532915876 /nfs/dbraw/zinc/91/58/76/532915876.db2.gz XMZHOOYNWXYIHI-SWLSCSKDSA-N 1 2 380.432 2.359 20 0 GEADLO C[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000292382785 532915878 /nfs/dbraw/zinc/91/58/78/532915878.db2.gz XMZHOOYNWXYIHI-SWLSCSKDSA-N 1 2 380.432 2.359 20 0 GEADLO C[N@H+](Cc1nc2cc(Br)ccc2o1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292115446 532913293 /nfs/dbraw/zinc/91/32/93/532913293.db2.gz HOCZLYYSJAIUMQ-NSHDSACASA-N 1 2 388.287 2.056 20 0 GEADLO C[N@@H+](Cc1nc2cc(Br)ccc2o1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292115446 532913294 /nfs/dbraw/zinc/91/32/94/532913294.db2.gz HOCZLYYSJAIUMQ-NSHDSACASA-N 1 2 388.287 2.056 20 0 GEADLO COc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc(OC)c1Br ZINC000366076734 532914157 /nfs/dbraw/zinc/91/41/57/532914157.db2.gz JLURMAACYYDWPC-ZDUSSCGKSA-N 1 2 399.285 2.013 20 0 GEADLO COc1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc(OC)c1Br ZINC000366076733 532914291 /nfs/dbraw/zinc/91/42/91/532914291.db2.gz JLURMAACYYDWPC-CYBMUJFWSA-N 1 2 399.285 2.013 20 0 GEADLO C[NH+]1CCN(C2(C(=O)NCc3ccc(O)c(Br)c3)CCCC2)CC1 ZINC000366337776 532916504 /nfs/dbraw/zinc/91/65/04/532916504.db2.gz JNYVKHRCCPTAHI-UHFFFAOYSA-N 1 2 396.329 2.331 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000366368318 532916719 /nfs/dbraw/zinc/91/67/19/532916719.db2.gz FPWLWSCCZGSPQJ-VXGBXAGGSA-N 1 2 388.331 2.340 20 0 GEADLO C[C@@](O)(C[N@@H+]1CCN2C(=O)NC[C@@H]2C1)c1ccc(Br)cc1Cl ZINC000292689156 532917606 /nfs/dbraw/zinc/91/76/06/532917606.db2.gz CITZMQOIEGWTIN-IAQYHMDHSA-N 1 2 388.693 2.019 20 0 GEADLO C[C@@](O)(C[N@H+]1CCN2C(=O)NC[C@@H]2C1)c1ccc(Br)cc1Cl ZINC000292689156 532917608 /nfs/dbraw/zinc/91/76/08/532917608.db2.gz CITZMQOIEGWTIN-IAQYHMDHSA-N 1 2 388.693 2.019 20 0 GEADLO COC(=O)[C@]12C[N@H+](CC(=O)Nc3c(Cl)cccc3Cl)C[C@H]1COCC2 ZINC000366462089 532917627 /nfs/dbraw/zinc/91/76/27/532917627.db2.gz LCBXBVYNRBNMDE-APPDUMDISA-N 1 2 387.263 2.443 20 0 GEADLO COC(=O)[C@]12C[N@@H+](CC(=O)Nc3c(Cl)cccc3Cl)C[C@H]1COCC2 ZINC000366462089 532917629 /nfs/dbraw/zinc/91/76/29/532917629.db2.gz LCBXBVYNRBNMDE-APPDUMDISA-N 1 2 387.263 2.443 20 0 GEADLO O=c1c(Br)c(N2CC[N@@H+]3CCCC[C@@H]3C2)cnn1-c1ccccn1 ZINC000292851215 532919369 /nfs/dbraw/zinc/91/93/69/532919369.db2.gz SEORYSICGVMNPO-CYBMUJFWSA-N 1 2 390.285 2.065 20 0 GEADLO O=c1c(Br)c(N2CC[N@H+]3CCCC[C@@H]3C2)cnn1-c1ccccn1 ZINC000292851215 532919371 /nfs/dbraw/zinc/91/93/71/532919371.db2.gz SEORYSICGVMNPO-CYBMUJFWSA-N 1 2 390.285 2.065 20 0 GEADLO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1n[nH]c2ccc(Br)cc21 ZINC000366596016 532919395 /nfs/dbraw/zinc/91/93/95/532919395.db2.gz YQFSHGVLLKOQRO-ZDUSSCGKSA-N 1 2 393.285 2.309 20 0 GEADLO OCc1cn([C@@H]2CCC[N@H+](Cc3cc4c(c(Br)c3)OCO4)C2)nn1 ZINC000292907186 532919612 /nfs/dbraw/zinc/91/96/12/532919612.db2.gz HACDBBMZYXIPPO-CYBMUJFWSA-N 1 2 395.257 2.099 20 0 GEADLO OCc1cn([C@@H]2CCC[N@@H+](Cc3cc4c(c(Br)c3)OCO4)C2)nn1 ZINC000292907186 532919614 /nfs/dbraw/zinc/91/96/14/532919614.db2.gz HACDBBMZYXIPPO-CYBMUJFWSA-N 1 2 395.257 2.099 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CCOC(=O)[C@H]21)c1ccc(Br)cc1 ZINC000366642173 532919693 /nfs/dbraw/zinc/91/96/93/532919693.db2.gz MZTQBEICWXMGOF-GHJWDPDVSA-N 1 2 381.270 2.264 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H]2CCOC(=O)[C@H]21)c1ccc(Br)cc1 ZINC000366642173 532919695 /nfs/dbraw/zinc/91/96/95/532919695.db2.gz MZTQBEICWXMGOF-GHJWDPDVSA-N 1 2 381.270 2.264 20 0 GEADLO Cn1cc([C@H]([NH2+]CC(=O)Nc2nncs2)c2ccc(F)c(Cl)c2)cn1 ZINC000366647421 532919759 /nfs/dbraw/zinc/91/97/59/532919759.db2.gz XGXLWHOJFGIXAX-CQSZACIVSA-N 1 2 380.836 2.382 20 0 GEADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000366719651 532920545 /nfs/dbraw/zinc/92/05/45/532920545.db2.gz HUQHINNKHXJOLR-MLGOLLRUSA-N 1 2 394.313 2.308 20 0 GEADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000366719651 532920547 /nfs/dbraw/zinc/92/05/47/532920547.db2.gz HUQHINNKHXJOLR-MLGOLLRUSA-N 1 2 394.313 2.308 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000292972534 532920630 /nfs/dbraw/zinc/92/06/30/532920630.db2.gz ILBBVNFVGVGVRV-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)NCc2c[nH+]ccc2OC)c(C)c1Cl ZINC000292995343 532920863 /nfs/dbraw/zinc/92/08/63/532920863.db2.gz NGQBIARGTASHKP-UHFFFAOYSA-N 1 2 390.870 2.379 20 0 GEADLO OCc1cn([C@H]2CCC[N@H+](Cc3ccc(I)cc3)C2)nn1 ZINC000292996203 532920922 /nfs/dbraw/zinc/92/09/22/532920922.db2.gz OJYGAJZVMDJVBI-HNNXBMFYSA-N 1 2 398.248 2.212 20 0 GEADLO OCc1cn([C@H]2CCC[N@@H+](Cc3ccc(I)cc3)C2)nn1 ZINC000292996203 532920923 /nfs/dbraw/zinc/92/09/23/532920923.db2.gz OJYGAJZVMDJVBI-HNNXBMFYSA-N 1 2 398.248 2.212 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000366841969 532921612 /nfs/dbraw/zinc/92/16/12/532921612.db2.gz JBQPXNUILFXOPW-SNVBAGLBSA-N 1 2 388.262 2.500 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000366841967 532921628 /nfs/dbraw/zinc/92/16/28/532921628.db2.gz JBQPXNUILFXOPW-JTQLQIEISA-N 1 2 388.262 2.500 20 0 GEADLO CS(=O)(=O)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)o1 ZINC000366909519 532921787 /nfs/dbraw/zinc/92/17/87/532921787.db2.gz HIKLUDVZZRMPNF-HNNXBMFYSA-N 1 2 382.869 2.264 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000367143403 532923120 /nfs/dbraw/zinc/92/31/20/532923120.db2.gz HXUUXBNGENEHQF-WFASDCNBSA-N 1 2 378.778 2.164 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000367143403 532923121 /nfs/dbraw/zinc/92/31/21/532923121.db2.gz HXUUXBNGENEHQF-WFASDCNBSA-N 1 2 378.778 2.164 20 0 GEADLO Cc1c(Br)cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1Br ZINC000367435798 532924845 /nfs/dbraw/zinc/92/48/45/532924845.db2.gz DBAHBWOPRPIGBV-WDEREUQCSA-N 1 2 379.092 2.448 20 0 GEADLO Cc1c(Br)cc(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1Br ZINC000367435798 532924846 /nfs/dbraw/zinc/92/48/46/532924846.db2.gz DBAHBWOPRPIGBV-WDEREUQCSA-N 1 2 379.092 2.448 20 0 GEADLO Cc1nc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000367746444 532927173 /nfs/dbraw/zinc/92/71/73/532927173.db2.gz GLNKSTPCMDCARG-UMVBOHGHSA-N 1 2 387.933 2.306 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000293546230 532928613 /nfs/dbraw/zinc/92/86/13/532928613.db2.gz WHOWFNZQEKZYNR-GXTWGEPZSA-N 1 2 387.933 2.113 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(Br)cc(N(C)C)c1 ZINC000293918348 532933422 /nfs/dbraw/zinc/93/34/22/532933422.db2.gz AXEUTUXNLSILQL-CXAGYDPISA-N 1 2 396.329 2.450 20 0 GEADLO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369174180 532937370 /nfs/dbraw/zinc/93/73/70/532937370.db2.gz MHOLLKBJYKDRBT-LBPRGKRZSA-N 1 2 391.280 2.246 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cc(N(C)C)c1 ZINC000294298666 532937628 /nfs/dbraw/zinc/93/76/28/532937628.db2.gz QRROMQGHFXEOAI-DYVFJYSZSA-N 1 2 396.329 2.450 20 0 GEADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000369285110 532937753 /nfs/dbraw/zinc/93/77/53/532937753.db2.gz NGXUZBRYJHHCTD-KGLIPLIRSA-N 1 2 387.571 2.176 20 0 GEADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000368974963 532936148 /nfs/dbraw/zinc/93/61/48/532936148.db2.gz SIQUDSYTRASEMI-RVBZMBCESA-N 1 2 381.230 2.178 20 0 GEADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000368974963 532936149 /nfs/dbraw/zinc/93/61/49/532936149.db2.gz SIQUDSYTRASEMI-RVBZMBCESA-N 1 2 381.230 2.178 20 0 GEADLO COC(=O)[C@H]1C[C@H](OC)CN1Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000369465715 532939633 /nfs/dbraw/zinc/93/96/33/532939633.db2.gz VHIHZJPHHGEHED-UONOGXRCSA-N 1 2 382.258 2.168 20 0 GEADLO COc1cc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc(Cl)c1OC ZINC000370164849 532942515 /nfs/dbraw/zinc/94/25/15/532942515.db2.gz ULGRPVGEKQYSAP-UHFFFAOYSA-N 1 2 388.917 2.357 20 0 GEADLO COc1cc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc(Cl)c1OC ZINC000370164849 532942516 /nfs/dbraw/zinc/94/25/16/532942516.db2.gz ULGRPVGEKQYSAP-UHFFFAOYSA-N 1 2 388.917 2.357 20 0 GEADLO O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370417081 532943304 /nfs/dbraw/zinc/94/33/04/532943304.db2.gz WTVTVAYJORRLFX-BRWVUGGUSA-N 1 2 379.298 2.486 20 0 GEADLO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370490199 532943845 /nfs/dbraw/zinc/94/38/45/532943845.db2.gz GNGXHDVNQGNRKB-NSHDSACASA-N 1 2 392.257 2.084 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000369738400 532940624 /nfs/dbraw/zinc/94/06/24/532940624.db2.gz XKQLQZIUHZZZJS-ZDUSSCGKSA-N 1 2 381.885 2.253 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCCc2ccccc2Br)CC1 ZINC000370677354 532944752 /nfs/dbraw/zinc/94/47/52/532944752.db2.gz VRNPMBFSMPCHKZ-UHFFFAOYSA-N 1 2 396.329 2.052 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCCc2ccccc2Br)CC1 ZINC000370677354 532944753 /nfs/dbraw/zinc/94/47/53/532944753.db2.gz VRNPMBFSMPCHKZ-UHFFFAOYSA-N 1 2 396.329 2.052 20 0 GEADLO C[C@@H](c1ncc(Br)cn1)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000370666913 532944799 /nfs/dbraw/zinc/94/47/99/532944799.db2.gz JOUNABZGGDOXGG-LBPRGKRZSA-N 1 2 380.290 2.369 20 0 GEADLO CN(C)C(=O)Sc1cccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1 ZINC000370945627 532946111 /nfs/dbraw/zinc/94/61/11/532946111.db2.gz YCHYQBGGPFQZJW-INIZCTEOSA-N 1 2 383.539 2.116 20 0 GEADLO CN(C)C(=O)Sc1cccc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1 ZINC000370945627 532946112 /nfs/dbraw/zinc/94/61/12/532946112.db2.gz YCHYQBGGPFQZJW-INIZCTEOSA-N 1 2 383.539 2.116 20 0 GEADLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000370966947 532946293 /nfs/dbraw/zinc/94/62/93/532946293.db2.gz WRWYDCDBIIIBKD-GFCCVEGCSA-N 1 2 384.889 2.267 20 0 GEADLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000370966947 532946294 /nfs/dbraw/zinc/94/62/94/532946294.db2.gz WRWYDCDBIIIBKD-GFCCVEGCSA-N 1 2 384.889 2.267 20 0 GEADLO COc1ccsc1S(=O)(=O)N(C)C1CC[NH+](Cc2cc(C)no2)CC1 ZINC000370511259 532943881 /nfs/dbraw/zinc/94/38/81/532943881.db2.gz GQEKDWLWMYJQKU-UHFFFAOYSA-N 1 2 385.511 2.338 20 0 GEADLO COc1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1I ZINC000371352669 532947744 /nfs/dbraw/zinc/94/77/44/532947744.db2.gz GQAQOIXMAVQGCG-SNVBAGLBSA-N 1 2 397.216 2.310 20 0 GEADLO COc1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1I ZINC000371352669 532947745 /nfs/dbraw/zinc/94/77/45/532947745.db2.gz GQAQOIXMAVQGCG-SNVBAGLBSA-N 1 2 397.216 2.310 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000371051653 532946653 /nfs/dbraw/zinc/94/66/53/532946653.db2.gz ACKAIIYXLXXWKF-LLVKDONJSA-N 1 2 375.372 2.497 20 0 GEADLO Cc1cccc(C(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)c1Br ZINC000371089206 532946954 /nfs/dbraw/zinc/94/69/54/532946954.db2.gz SOHJEOCGABMJIQ-UHFFFAOYSA-N 1 2 394.313 2.313 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000371167834 532947136 /nfs/dbraw/zinc/94/71/36/532947136.db2.gz WQAWFIRBZYGLJS-QGZVFWFLSA-N 1 2 387.933 2.424 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000371848577 532949608 /nfs/dbraw/zinc/94/96/08/532949608.db2.gz WPCQPSSFJLZJDV-RISCZKNCSA-N 1 2 384.889 2.465 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000371848577 532949609 /nfs/dbraw/zinc/94/96/09/532949609.db2.gz WPCQPSSFJLZJDV-RISCZKNCSA-N 1 2 384.889 2.465 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736205741 598934280 /nfs/dbraw/zinc/93/42/80/598934280.db2.gz YHIFDYPSEGTEDM-ROJDOSBLSA-N 1 2 389.463 2.180 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000737032562 598984669 /nfs/dbraw/zinc/98/46/69/598984669.db2.gz MUVOJSFKXVQMNK-UHFFFAOYSA-N 1 2 399.455 2.395 20 0 GEADLO FC(F)(F)CC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000737628897 598985300 /nfs/dbraw/zinc/98/53/00/598985300.db2.gz YDKPHPKRVYKZAG-UHFFFAOYSA-N 1 2 377.374 2.489 20 0 GEADLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1ccccc1-c1nn[nH]n1 ZINC000737822556 599059387 /nfs/dbraw/zinc/05/93/87/599059387.db2.gz ZSSVFWZETAMHBH-SFHVURJKSA-N 1 2 393.447 2.201 20 0 GEADLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1ccccc1-c1nn[nH]n1 ZINC000737822556 599059389 /nfs/dbraw/zinc/05/93/89/599059389.db2.gz ZSSVFWZETAMHBH-SFHVURJKSA-N 1 2 393.447 2.201 20 0 GEADLO CCCCOc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736464009 599090784 /nfs/dbraw/zinc/09/07/84/599090784.db2.gz VORABWCCULPIJB-SFHVURJKSA-N 1 2 380.452 2.362 20 0 GEADLO CC(C)COc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735844948 599093015 /nfs/dbraw/zinc/09/30/15/599093015.db2.gz RCTUEPUZDYYZSG-SFHVURJKSA-N 1 2 380.452 2.218 20 0 GEADLO CC(C)(C)OCc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735639454 599097162 /nfs/dbraw/zinc/09/71/62/599097162.db2.gz HYFRANJQCWAJCK-GOSISDBHSA-N 1 2 394.479 2.498 20 0 GEADLO CC(C)(C)OCc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735639455 599097744 /nfs/dbraw/zinc/09/77/44/599097744.db2.gz HYFRANJQCWAJCK-SFHVURJKSA-N 1 2 394.479 2.498 20 0 GEADLO S=C(NC(C1CC1)C1CC1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738400398 599159296 /nfs/dbraw/zinc/15/92/96/599159296.db2.gz FKIGJJDIOZKISY-UHFFFAOYSA-N 1 2 397.552 2.047 20 0 GEADLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)Nc3cccc(-c4nn[nH]n4)c3C)C2)o1 ZINC000822389519 607286031 /nfs/dbraw/zinc/28/60/31/607286031.db2.gz ZMVGIBODWLJGJY-AWEZNQCLSA-N 1 2 396.455 2.210 20 0 GEADLO Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)Nc3cccc(-c4nn[nH]n4)c3C)C2)o1 ZINC000822389519 607286032 /nfs/dbraw/zinc/28/60/32/607286032.db2.gz ZMVGIBODWLJGJY-AWEZNQCLSA-N 1 2 396.455 2.210 20 0 GEADLO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cn1nccc1-c1cccnc1 ZINC000737002305 598233606 /nfs/dbraw/zinc/23/36/06/598233606.db2.gz OMEQMXWSRXBSEU-UHFFFAOYSA-N 1 2 390.451 2.231 20 0 GEADLO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cn1nccc1-c1cccnc1 ZINC000737002305 598233608 /nfs/dbraw/zinc/23/36/08/598233608.db2.gz OMEQMXWSRXBSEU-UHFFFAOYSA-N 1 2 390.451 2.231 20 0 GEADLO c1ccc(-c2ncc(C[NH+]3CCN(c4ncccc4-c4nn[nH]n4)CC3)cn2)cc1 ZINC000738423036 598250285 /nfs/dbraw/zinc/25/02/85/598250285.db2.gz MTSNEVZOPDFDRB-UHFFFAOYSA-N 1 2 399.462 2.041 20 0 GEADLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736274329 598253143 /nfs/dbraw/zinc/25/31/43/598253143.db2.gz UKGGHOPFPGARBB-NUJGCVRESA-N 1 2 397.527 2.072 20 0 GEADLO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000735560063 598256568 /nfs/dbraw/zinc/25/65/68/598256568.db2.gz OXRVMWFSGIMCED-AUUYWEPGSA-N 1 2 392.463 2.440 20 0 GEADLO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000735560063 598256570 /nfs/dbraw/zinc/25/65/70/598256570.db2.gz OXRVMWFSGIMCED-AUUYWEPGSA-N 1 2 392.463 2.440 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737550555 598312395 /nfs/dbraw/zinc/31/23/95/598312395.db2.gz ANFRRLBXKXFPPE-INIZCTEOSA-N 1 2 396.451 2.479 20 0 GEADLO Cc1oc(NC(=O)C[N@H+]2CCCO[C@H](c3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737550555 598312398 /nfs/dbraw/zinc/31/23/98/598312398.db2.gz ANFRRLBXKXFPPE-INIZCTEOSA-N 1 2 396.451 2.479 20 0 GEADLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737763671 598365351 /nfs/dbraw/zinc/36/53/51/598365351.db2.gz FPNCPNDUTQUEMV-UHFFFAOYSA-N 1 2 385.815 2.200 20 0 GEADLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000737194289 598430668 /nfs/dbraw/zinc/43/06/68/598430668.db2.gz HOIWMYSPAAIQLF-INIZCTEOSA-N 1 2 391.479 2.455 20 0 GEADLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)n2)CC1 ZINC000736275834 598460292 /nfs/dbraw/zinc/46/02/92/598460292.db2.gz JXJMASSFLTVQAR-UHFFFAOYSA-N 1 2 384.469 2.202 20 0 GEADLO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000736801957 598460601 /nfs/dbraw/zinc/46/06/01/598460601.db2.gz NGXUDTDEKBIKKH-UHFFFAOYSA-N 1 2 388.378 2.094 20 0 GEADLO C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000736801957 598460603 /nfs/dbraw/zinc/46/06/03/598460603.db2.gz NGXUDTDEKBIKKH-UHFFFAOYSA-N 1 2 388.378 2.094 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000738065436 598562495 /nfs/dbraw/zinc/56/24/95/598562495.db2.gz KGZIIAIRKRAFTC-UHFFFAOYSA-N 1 2 392.370 2.267 20 0 GEADLO c1nn2cc(C[NH2+][C@@H](c3ccccc3)c3cccnc3)cnc2c1-c1nn[nH]n1 ZINC000738427606 598698586 /nfs/dbraw/zinc/69/85/86/598698586.db2.gz JNLCZJPSVIIHHW-SFHVURJKSA-N 1 2 383.419 2.184 20 0 GEADLO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000737832735 598720576 /nfs/dbraw/zinc/72/05/76/598720576.db2.gz KVZCRFSAYPMEJS-UHFFFAOYSA-N 1 2 394.435 2.101 20 0 GEADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000736637151 598729626 /nfs/dbraw/zinc/72/96/26/598729626.db2.gz PBDXEBINLOYPEP-CQSZACIVSA-N 1 2 382.428 2.331 20 0 GEADLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCSCC2)c1-c1nn[nH]n1 ZINC000737201244 598759224 /nfs/dbraw/zinc/75/92/24/598759224.db2.gz AWJZQAWNTNHXSH-UHFFFAOYSA-N 1 2 389.529 2.387 20 0 GEADLO C[C@@H]1c2ccccc2OCC[N@@H+]1[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736302332 598762804 /nfs/dbraw/zinc/76/28/04/598762804.db2.gz GKBHZBCUXZVFRW-RDTXWAMCSA-N 1 2 390.447 2.428 20 0 GEADLO C[C@@H]1c2ccccc2OCC[N@H+]1[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736302332 598762805 /nfs/dbraw/zinc/76/28/05/598762805.db2.gz GKBHZBCUXZVFRW-RDTXWAMCSA-N 1 2 390.447 2.428 20 0 GEADLO C[C@H]1CCC[C@H](OCC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736260029 598792772 /nfs/dbraw/zinc/79/27/72/598792772.db2.gz GYPHTFYTXZGPHI-LPHOPBHVSA-N 1 2 398.511 2.106 20 0 GEADLO CCc1cnc(NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000821499445 599294598 /nfs/dbraw/zinc/29/45/98/599294598.db2.gz KJNUKKIYNUQNDJ-UHFFFAOYSA-N 1 2 398.496 2.235 20 0 GEADLO CC(C)([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1nccs1 ZINC000735677529 599354771 /nfs/dbraw/zinc/35/47/71/599354771.db2.gz CZCZKPUUJJJZBO-UHFFFAOYSA-N 1 2 377.861 2.440 20 0 GEADLO COc1cccc(F)c1[C@H](C)[NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821873873 599382686 /nfs/dbraw/zinc/38/26/86/599382686.db2.gz ZOSCXKULCULGBI-LRDDRELGSA-N 1 2 396.426 2.471 20 0 GEADLO COc1ccc(CNc2ccc([NH+]3CCC(O)CC3)cc2)cc1-c1nn[nH]n1 ZINC000821821544 599412831 /nfs/dbraw/zinc/41/28/31/599412831.db2.gz KEKIFIKWTGOBNV-UHFFFAOYSA-N 1 2 380.452 2.449 20 0 GEADLO C[C@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820366483 599424660 /nfs/dbraw/zinc/42/46/60/599424660.db2.gz OKNIEVGSYWLOBG-AWEZNQCLSA-N 1 2 377.452 2.243 20 0 GEADLO O=C1[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CCN1Cc1ccccc1 ZINC000823513228 599501433 /nfs/dbraw/zinc/50/14/33/599501433.db2.gz UETXAZNRKLVZAB-GOSISDBHSA-N 1 2 385.431 2.050 20 0 GEADLO CNc1cc(N2CCC[C@H]2CNc2c(F)cc(-c3nn[nH]n3)cc2F)nc[nH+]1 ZINC000821637647 599529079 /nfs/dbraw/zinc/52/90/79/599529079.db2.gz OCWYAQMVLWGMDH-NSHDSACASA-N 1 2 387.398 2.058 20 0 GEADLO CC(C)(C)OC(=O)N1CC[C@@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000819933600 599549036 /nfs/dbraw/zinc/54/90/36/599549036.db2.gz XEOSOIJQSNPSAV-GFCCVEGCSA-N 1 2 381.440 2.258 20 0 GEADLO C[N@H+](CCOc1ccccc1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821604891 599562311 /nfs/dbraw/zinc/56/23/11/599562311.db2.gz LYXLODZCQAYXCY-UHFFFAOYSA-N 1 2 377.408 2.428 20 0 GEADLO C[N@@H+](CCOc1ccccc1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821604891 599562314 /nfs/dbraw/zinc/56/23/14/599562314.db2.gz LYXLODZCQAYXCY-UHFFFAOYSA-N 1 2 377.408 2.428 20 0 GEADLO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)N[C@](C)(C(C)C)C1=O ZINC000735873991 599577237 /nfs/dbraw/zinc/57/72/37/599577237.db2.gz KTVCVEKUBRFNGP-LJQANCHMSA-N 1 2 385.472 2.001 20 0 GEADLO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)N[C@](C)(C(C)C)C1=O ZINC000735873991 599577240 /nfs/dbraw/zinc/57/72/40/599577240.db2.gz KTVCVEKUBRFNGP-LJQANCHMSA-N 1 2 385.472 2.001 20 0 GEADLO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000736800025 599592660 /nfs/dbraw/zinc/59/26/60/599592660.db2.gz ZCXRWEBBGWMNOB-UHFFFAOYSA-N 1 2 395.486 2.260 20 0 GEADLO C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000736800025 599592662 /nfs/dbraw/zinc/59/26/62/599592662.db2.gz ZCXRWEBBGWMNOB-UHFFFAOYSA-N 1 2 395.486 2.260 20 0 GEADLO O=C1[C@@H]([NH+]2CCC(C(F)(F)F)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504072 599643955 /nfs/dbraw/zinc/64/39/55/599643955.db2.gz LNVLTDIVQFAVSZ-AWEZNQCLSA-N 1 2 380.374 2.246 20 0 GEADLO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000738769396 599782183 /nfs/dbraw/zinc/78/21/83/599782183.db2.gz APXVJPICILJJPZ-JOCHJYFZSA-N 1 2 395.503 2.445 20 0 GEADLO Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000738769396 599782187 /nfs/dbraw/zinc/78/21/87/599782187.db2.gz APXVJPICILJJPZ-JOCHJYFZSA-N 1 2 395.503 2.445 20 0 GEADLO CC(C)Oc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1-c1nn[nH]n1 ZINC000820166375 607430808 /nfs/dbraw/zinc/43/08/08/607430808.db2.gz XDVYYHMMWMMTJY-UHFFFAOYSA-N 1 2 384.444 2.404 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000736202949 600432279 /nfs/dbraw/zinc/43/22/79/600432279.db2.gz APAVJTNSKAJYHZ-QZTJIDSGSA-N 1 2 379.545 2.286 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000736202949 600432281 /nfs/dbraw/zinc/43/22/81/600432281.db2.gz APAVJTNSKAJYHZ-QZTJIDSGSA-N 1 2 379.545 2.286 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826436776 607454375 /nfs/dbraw/zinc/45/43/75/607454375.db2.gz IEWCVHWBIGUMLB-UHFFFAOYSA-N 1 2 378.440 2.052 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000737514334 600684724 /nfs/dbraw/zinc/68/47/24/600684724.db2.gz GHQHCAWQQUKGEE-UHFFFAOYSA-N 1 2 384.427 2.153 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000737514334 600684725 /nfs/dbraw/zinc/68/47/25/600684725.db2.gz GHQHCAWQQUKGEE-UHFFFAOYSA-N 1 2 384.427 2.153 20 0 GEADLO CCCOc1ccc2c(c1)CC[N@H+]([C@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000825341889 607473408 /nfs/dbraw/zinc/47/34/08/607473408.db2.gz MHIVURLVNHOCSI-IBGZPJMESA-N 1 2 392.463 2.240 20 0 GEADLO CCCOc1ccc2c(c1)CC[N@@H+]([C@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000825341889 607473410 /nfs/dbraw/zinc/47/34/10/607473410.db2.gz MHIVURLVNHOCSI-IBGZPJMESA-N 1 2 392.463 2.240 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000825977700 601045044 /nfs/dbraw/zinc/04/50/44/601045044.db2.gz MREJLAXFMOZCEY-IEBWSBKVSA-N 1 2 387.524 2.152 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000825977700 601045049 /nfs/dbraw/zinc/04/50/49/601045049.db2.gz MREJLAXFMOZCEY-IEBWSBKVSA-N 1 2 387.524 2.152 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825977700 601045052 /nfs/dbraw/zinc/04/50/52/601045052.db2.gz MREJLAXFMOZCEY-IEBWSBKVSA-N 1 2 387.524 2.152 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000825977700 601045054 /nfs/dbraw/zinc/04/50/54/601045054.db2.gz MREJLAXFMOZCEY-IEBWSBKVSA-N 1 2 387.524 2.152 20 0 GEADLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)cs1 ZINC000824142402 607485799 /nfs/dbraw/zinc/48/57/99/607485799.db2.gz RTTCVSUHDLGBAJ-UHFFFAOYSA-N 1 2 398.540 2.334 20 0 GEADLO COCc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1 ZINC000826164475 607517334 /nfs/dbraw/zinc/51/73/34/607517334.db2.gz BSGFQHZCIDUPPZ-UHFFFAOYSA-N 1 2 395.467 2.201 20 0 GEADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c(C)c1 ZINC000826284002 607539859 /nfs/dbraw/zinc/53/98/59/607539859.db2.gz HDYBSQIPXSJAHQ-QGZVFWFLSA-N 1 2 376.424 2.179 20 0 GEADLO CC(C)Oc1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc1-c1nn[nH]n1 ZINC000824323876 607570609 /nfs/dbraw/zinc/57/06/09/607570609.db2.gz CKKWDACYMDLRIR-GFCCVEGCSA-N 1 2 376.486 2.030 20 0 GEADLO ClC1(Cl)C[C@@H]1C[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826350238 607643817 /nfs/dbraw/zinc/64/38/17/607643817.db2.gz NKHQPULWELZYCS-SNVBAGLBSA-N 1 2 384.271 2.048 20 0 GEADLO C[C@]1([NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCC[C@@H]1C(=O)[O-] ZINC000833573531 605063714 /nfs/dbraw/zinc/06/37/14/605063714.db2.gz SPYCMDDUAWQPJO-APWZRJJASA-N 1 2 379.526 2.015 20 0 GEADLO C[C@]1([NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCCC[C@@H]1C(=O)[O-] ZINC000833574232 605072443 /nfs/dbraw/zinc/07/24/43/605072443.db2.gz ZXBXRISWEYMQSU-APWZRJJASA-N 1 2 379.526 2.015 20 0 GEADLO C[C@H](Oc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833540508 605112282 /nfs/dbraw/zinc/11/22/82/605112282.db2.gz LJZMRUYRJDSMPF-JTSKRJEESA-N 1 2 384.476 2.265 20 0 GEADLO C[C@H](Oc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833540508 605112286 /nfs/dbraw/zinc/11/22/86/605112286.db2.gz LJZMRUYRJDSMPF-JTSKRJEESA-N 1 2 384.476 2.265 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1 ZINC000823229468 606019070 /nfs/dbraw/zinc/01/90/70/606019070.db2.gz SWLWRQDQHNCIFZ-UHFFFAOYSA-N 1 2 389.419 2.141 20 0 GEADLO O=S(=O)(CC[N@H+]1CCC[C@H]1c1ccc(O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561639 606186590 /nfs/dbraw/zinc/18/65/90/606186590.db2.gz HIWWEQOJEGXWQS-SFHVURJKSA-N 1 2 399.476 2.183 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@H]1c1ccc(O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561639 606186593 /nfs/dbraw/zinc/18/65/93/606186593.db2.gz HIWWEQOJEGXWQS-SFHVURJKSA-N 1 2 399.476 2.183 20 0 GEADLO O=S(=O)(CC[N@H+](Cc1ccccc1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562685 606186804 /nfs/dbraw/zinc/18/68/04/606186804.db2.gz VSQIVZWSEQBOAQ-UHFFFAOYSA-N 1 2 383.477 2.305 20 0 GEADLO O=S(=O)(CC[N@@H+](Cc1ccccc1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562685 606186805 /nfs/dbraw/zinc/18/68/05/606186805.db2.gz VSQIVZWSEQBOAQ-UHFFFAOYSA-N 1 2 383.477 2.305 20 0 GEADLO FC(F)(F)[C@@H]1CCCn2c(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)nnc21 ZINC000822714267 606224258 /nfs/dbraw/zinc/22/42/58/606224258.db2.gz JCSZXTZUECIDSV-SNVBAGLBSA-N 1 2 384.391 2.249 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000822337172 606227877 /nfs/dbraw/zinc/22/78/77/606227877.db2.gz UXKXBLQDKBAZCX-MRXNPFEDSA-N 1 2 376.424 2.035 20 0 GEADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)CCc1ccccc1OC ZINC000821649736 606320486 /nfs/dbraw/zinc/32/04/86/606320486.db2.gz CGOJEJYNNDWWEX-GOSISDBHSA-N 1 2 381.436 2.264 20 0 GEADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)CCc1ccccc1OC ZINC000821649736 606320488 /nfs/dbraw/zinc/32/04/88/606320488.db2.gz CGOJEJYNNDWWEX-GOSISDBHSA-N 1 2 381.436 2.264 20 0 GEADLO CNC(=O)Cc1nc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)cs1 ZINC000821633949 606434096 /nfs/dbraw/zinc/43/40/96/606434096.db2.gz LUKWDAWOSKTPAQ-UHFFFAOYSA-N 1 2 385.497 2.022 20 0 GEADLO CNC(=O)Cc1nc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)cs1 ZINC000821633949 606434098 /nfs/dbraw/zinc/43/40/98/606434098.db2.gz LUKWDAWOSKTPAQ-UHFFFAOYSA-N 1 2 385.497 2.022 20 0 GEADLO O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000823108721 606531947 /nfs/dbraw/zinc/53/19/47/606531947.db2.gz PYNYQGYRQHDERI-UHFFFAOYSA-N 1 2 389.419 2.323 20 0 GEADLO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000819864941 606623242 /nfs/dbraw/zinc/62/32/42/606623242.db2.gz AFWPAWKZLPLVEA-DBDZUICISA-N 1 2 398.492 2.063 20 0 GEADLO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000819864941 606623243 /nfs/dbraw/zinc/62/32/43/606623243.db2.gz AFWPAWKZLPLVEA-DBDZUICISA-N 1 2 398.492 2.063 20 0 GEADLO O=C(Cc1ccc(F)c(F)c1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823082597 606662409 /nfs/dbraw/zinc/66/24/09/606662409.db2.gz LIENLRRXRUDDIK-UHFFFAOYSA-N 1 2 398.417 2.032 20 0 GEADLO Fc1cccnc1N1CC[C@@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000822796669 606729941 /nfs/dbraw/zinc/72/99/41/606729941.db2.gz VAWXXBPFJODKPN-GFCCVEGCSA-N 1 2 376.399 2.062 20 0 GEADLO Cc1cccc(C)c1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822293769 606777249 /nfs/dbraw/zinc/77/72/49/606777249.db2.gz KVUQGUIIUGIMNH-UHFFFAOYSA-N 1 2 376.464 2.442 20 0 GEADLO O=C(C1CCCC1)N1CC[C@@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000822916985 606792368 /nfs/dbraw/zinc/79/23/68/606792368.db2.gz KPPZVPUZZOJVPT-CQSZACIVSA-N 1 2 377.452 2.040 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](Oc2cccnc2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822993519 606814629 /nfs/dbraw/zinc/81/46/29/606814629.db2.gz VNNCTNJLIJHQPM-AWEZNQCLSA-N 1 2 399.842 2.007 20 0 GEADLO O=C(C[N@H+]1CC[C@H](Oc2cccnc2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822993519 606814630 /nfs/dbraw/zinc/81/46/30/606814630.db2.gz VNNCTNJLIJHQPM-AWEZNQCLSA-N 1 2 399.842 2.007 20 0 GEADLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1 ZINC000822693804 606849464 /nfs/dbraw/zinc/84/94/64/606849464.db2.gz KMCUYECHLTYRLV-QZTJIDSGSA-N 1 2 393.426 2.152 20 0 GEADLO O[C@H](C[NH2+]C1(c2noc(C3CC3)n2)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682438 606906613 /nfs/dbraw/zinc/90/66/13/606906613.db2.gz QBUNPZDACLILQA-OAHLLOKOSA-N 1 2 381.440 2.220 20 0 GEADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823673992 606915834 /nfs/dbraw/zinc/91/58/34/606915834.db2.gz OJNTVFQZFHIFQL-QFBILLFUSA-N 1 2 383.427 2.330 20 0 GEADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823673992 606915836 /nfs/dbraw/zinc/91/58/36/606915836.db2.gz OJNTVFQZFHIFQL-QFBILLFUSA-N 1 2 383.427 2.330 20 0 GEADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822294316 606919931 /nfs/dbraw/zinc/91/99/31/606919931.db2.gz WXBDELSEDRUYCE-QGZVFWFLSA-N 1 2 380.452 2.087 20 0 GEADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822294316 606919933 /nfs/dbraw/zinc/91/99/33/606919933.db2.gz WXBDELSEDRUYCE-QGZVFWFLSA-N 1 2 380.452 2.087 20 0 GEADLO C[C@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000820716951 607061941 /nfs/dbraw/zinc/06/19/41/607061941.db2.gz NEGFPOWMKFRTEB-YOEHRIQHSA-N 1 2 395.467 2.330 20 0 GEADLO COc1cccc([C@@H]2C[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000821864328 607077001 /nfs/dbraw/zinc/07/70/01/607077001.db2.gz XOHKMBDSEVPUCL-IBGZPJMESA-N 1 2 381.436 2.328 20 0 GEADLO COc1cccc([C@@H]2C[N@@H+](CCOc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000821864328 607077002 /nfs/dbraw/zinc/07/70/02/607077002.db2.gz XOHKMBDSEVPUCL-IBGZPJMESA-N 1 2 381.436 2.328 20 0 GEADLO C[C@@H]1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000820717289 607092675 /nfs/dbraw/zinc/09/26/75/607092675.db2.gz OYDSUAOROZFLNC-CZUORRHYSA-N 1 2 383.481 2.265 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)C(C)(C)Oc3ccc(-c4nn[nH]n4)cc3)sc2C1 ZINC000821630124 607123528 /nfs/dbraw/zinc/12/35/28/607123528.db2.gz NDHPXSBVNGMTAE-UHFFFAOYSA-N 1 2 399.480 2.107 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)C(C)(C)Oc3ccc(-c4nn[nH]n4)cc3)sc2C1 ZINC000821630124 607123529 /nfs/dbraw/zinc/12/35/29/607123529.db2.gz NDHPXSBVNGMTAE-UHFFFAOYSA-N 1 2 399.480 2.107 20 0 GEADLO O=C([C@H]1CC12CCC2)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822916729 607125117 /nfs/dbraw/zinc/12/51/17/607125117.db2.gz BLVJYDOUPKQKQU-MRXNPFEDSA-N 1 2 389.463 2.254 20 0 GEADLO COc1ccc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)cc1-c1nn[nH]n1 ZINC000821821779 607228757 /nfs/dbraw/zinc/22/87/57/607228757.db2.gz WIOHUZRHLPYTQY-UHFFFAOYSA-N 1 2 395.467 2.091 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=S)Nc1ccccc1-c1nn[nH]n1 ZINC000822449917 607252079 /nfs/dbraw/zinc/25/20/79/607252079.db2.gz UZVFOIQLKVCHSA-UHFFFAOYSA-N 1 2 396.480 2.216 20 0 GEADLO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)c1 ZINC000826319926 607779571 /nfs/dbraw/zinc/77/95/71/607779571.db2.gz ZEPYLZHIEWKYSV-UHFFFAOYSA-N 1 2 381.787 2.057 20 0 GEADLO O[C@H](C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)cc1F ZINC000826503064 608069206 /nfs/dbraw/zinc/06/92/06/608069206.db2.gz PXGGYPUBCTUDTO-MSOLQXFVSA-N 1 2 387.390 2.252 20 0 GEADLO O[C@H](C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)cc1F ZINC000826503064 608069207 /nfs/dbraw/zinc/06/92/07/608069207.db2.gz PXGGYPUBCTUDTO-MSOLQXFVSA-N 1 2 387.390 2.252 20 0 GEADLO c1ccc(OCCOCC[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826522635 608072290 /nfs/dbraw/zinc/07/22/90/608072290.db2.gz IMXGPMNRQFLXLQ-HXUWFJFHSA-N 1 2 395.463 2.336 20 0 GEADLO c1ccc(OCCOCC[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826522635 608072291 /nfs/dbraw/zinc/07/22/91/608072291.db2.gz IMXGPMNRQFLXLQ-HXUWFJFHSA-N 1 2 395.463 2.336 20 0 GEADLO O=C1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CCN1c1ccc(Cl)c(F)c1 ZINC000826476246 608114305 /nfs/dbraw/zinc/11/43/05/608114305.db2.gz DGOVOAAEKODTLY-CYBMUJFWSA-N 1 2 376.779 2.147 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028538 608121175 /nfs/dbraw/zinc/12/11/75/608121175.db2.gz BVHQGSLSFRCOGU-SJORKVTESA-N 1 2 384.390 2.320 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028538 608121176 /nfs/dbraw/zinc/12/11/76/608121176.db2.gz BVHQGSLSFRCOGU-SJORKVTESA-N 1 2 384.390 2.320 20 0 GEADLO CN1CCC(CNc2snc(Cl)c2-c2nn[nH]n2)([NH+]2CCCCC2)CC1 ZINC000826022283 608185562 /nfs/dbraw/zinc/18/55/62/608185562.db2.gz IIOVEIORKIWSLB-UHFFFAOYSA-N 1 2 396.952 2.339 20 0 GEADLO CN(CCc1cnccn1)c1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000825950561 608193958 /nfs/dbraw/zinc/19/39/58/608193958.db2.gz RAINWQPQCKOGHX-UHFFFAOYSA-N 1 2 398.377 2.485 20 0 GEADLO CCN1CC[NH+](Cc2ccccc2CNc2nc(C)ccc2-c2nn[nH]n2)CC1 ZINC000825460373 608273576 /nfs/dbraw/zinc/27/35/76/608273576.db2.gz VHOPXNWESZAFAN-UHFFFAOYSA-N 1 2 392.511 2.320 20 0 GEADLO Cc1nn(-c2ccccc2)c(CN2CCn3c(C)c(C)[nH+]c3C2)c1-c1nn[nH]n1 ZINC000826331899 608312137 /nfs/dbraw/zinc/31/21/37/608312137.db2.gz CFVZYFKDCLCVHB-UHFFFAOYSA-N 1 2 389.467 2.190 20 0 GEADLO CCCOc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000825339135 608451045 /nfs/dbraw/zinc/45/10/45/608451045.db2.gz OJAQSKRIMZOLTG-OAHLLOKOSA-N 1 2 394.483 2.156 20 0 GEADLO CCCOc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000825339135 608451048 /nfs/dbraw/zinc/45/10/48/608451048.db2.gz OJAQSKRIMZOLTG-OAHLLOKOSA-N 1 2 394.483 2.156 20 0 GEADLO COCc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826164687 608502127 /nfs/dbraw/zinc/50/21/27/608502127.db2.gz KZBCCRBCGINMOX-UHFFFAOYSA-N 1 2 378.480 2.331 20 0 GEADLO COCc1ccc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826164687 608502129 /nfs/dbraw/zinc/50/21/29/608502129.db2.gz KZBCCRBCGINMOX-UHFFFAOYSA-N 1 2 378.480 2.331 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)nc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000826280957 608543667 /nfs/dbraw/zinc/54/36/67/608543667.db2.gz XODWVYFHSFJUIX-UHFFFAOYSA-N 1 2 399.886 2.425 20 0 GEADLO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1F)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000825976545 608648361 /nfs/dbraw/zinc/64/83/61/608648361.db2.gz KYKDUWBKHUYRGY-MRXNPFEDSA-N 1 2 384.390 2.382 20 0 GEADLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1F)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000825976545 608648364 /nfs/dbraw/zinc/64/83/64/608648364.db2.gz KYKDUWBKHUYRGY-MRXNPFEDSA-N 1 2 384.390 2.382 20 0 GEADLO CC(=O)Nc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824005515 608853269 /nfs/dbraw/zinc/85/32/69/608853269.db2.gz VWLOYFZYRSNNJZ-LJQANCHMSA-N 1 2 378.436 2.399 20 0 GEADLO CC(=O)Nc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824005515 608853273 /nfs/dbraw/zinc/85/32/73/608853273.db2.gz VWLOYFZYRSNNJZ-LJQANCHMSA-N 1 2 378.436 2.399 20 0 GEADLO O=C1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CCN1c1ccc(F)c(Cl)c1 ZINC000826477202 609188700 /nfs/dbraw/zinc/18/87/00/609188700.db2.gz XSXVIMDGPOZGCU-ZDUSSCGKSA-N 1 2 376.779 2.147 20 0 GEADLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](Cc2ccccc2)OC1=O ZINC000825976792 609280508 /nfs/dbraw/zinc/28/05/08/609280508.db2.gz PZTIJGXSUOJNSY-GOSISDBHSA-N 1 2 378.436 2.320 20 0 GEADLO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](Cc2ccccc2)OC1=O ZINC000825976792 609280510 /nfs/dbraw/zinc/28/05/10/609280510.db2.gz PZTIJGXSUOJNSY-GOSISDBHSA-N 1 2 378.436 2.320 20 0 GEADLO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000823820555 609358468 /nfs/dbraw/zinc/35/84/68/609358468.db2.gz HNDKYRBFOMCJBB-AWEZNQCLSA-N 1 2 394.273 2.357 20 0 GEADLO Brc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000823820555 609358471 /nfs/dbraw/zinc/35/84/71/609358471.db2.gz HNDKYRBFOMCJBB-AWEZNQCLSA-N 1 2 394.273 2.357 20 0 GEADLO Cc1cc(N2CCN(c3nccc(C)c3-c3nn[nH]n3)CC2)nc(C(C)C)[nH+]1 ZINC000826269112 609524816 /nfs/dbraw/zinc/52/48/16/609524816.db2.gz APFYQRHRZVZCMA-UHFFFAOYSA-N 1 2 379.472 2.119 20 0 GEADLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2nccc(C)c2-c2nn[nH]n2)cc1 ZINC000826284473 609525057 /nfs/dbraw/zinc/52/50/57/609525057.db2.gz UVIRHURMTWIGMV-QGZVFWFLSA-N 1 2 379.468 2.364 20 0 GEADLO C[C@@H](O)[C@@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000824689373 609568824 /nfs/dbraw/zinc/56/88/24/609568824.db2.gz LJRAMAXMRBBYKD-NXEZZACHSA-N 1 2 376.367 2.223 20 0 GEADLO Cn1c2ccccc2[nH+]c1N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826355821 609575120 /nfs/dbraw/zinc/57/51/20/609575120.db2.gz OFYDMMKMNGCXLR-MRXNPFEDSA-N 1 2 388.435 2.361 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(Br)cc2OC)C1 ZINC000447090272 649997332 /nfs/dbraw/zinc/99/73/32/649997332.db2.gz ZFHOPUMFWJALHH-BBRMVZONSA-N 1 2 388.302 2.304 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Br)cc2OC)C1 ZINC000447090272 649997340 /nfs/dbraw/zinc/99/73/40/649997340.db2.gz ZFHOPUMFWJALHH-BBRMVZONSA-N 1 2 388.302 2.304 20 0 GEADLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000449410041 650040282 /nfs/dbraw/zinc/04/02/82/650040282.db2.gz SYLRZUQNAMZVKC-RUZDIDTESA-N 1 2 381.523 2.414 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccsc1Br ZINC000449838055 650052791 /nfs/dbraw/zinc/05/27/91/650052791.db2.gz CQXMGHKLJVKQDA-UHFFFAOYSA-N 1 2 385.287 2.292 20 0 GEADLO CS[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)C[C@H]1[NH+](C)C ZINC000450265075 650063362 /nfs/dbraw/zinc/06/33/62/650063362.db2.gz ICLPWEBJCUMZPH-YPMHNXCESA-N 1 2 377.279 2.411 20 0 GEADLO CCOC(=O)C[N@@H+]1CCCN(c2ncnc3cc(Br)ccc32)CC1 ZINC000450298300 650063611 /nfs/dbraw/zinc/06/36/11/650063611.db2.gz AONRNRFMIRPLKN-UHFFFAOYSA-N 1 2 393.285 2.468 20 0 GEADLO CCOC(=O)C[N@H+]1CCCN(c2ncnc3cc(Br)ccc32)CC1 ZINC000450298300 650063612 /nfs/dbraw/zinc/06/36/12/650063612.db2.gz AONRNRFMIRPLKN-UHFFFAOYSA-N 1 2 393.285 2.468 20 0 GEADLO O=C1N=NC([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)O1 ZINC000450899824 650074915 /nfs/dbraw/zinc/07/49/15/650074915.db2.gz DVDONOQZDSOVCU-WCQYABFASA-N 1 2 398.257 2.157 20 0 GEADLO O=C1N=NC([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)O1 ZINC000450899824 650074917 /nfs/dbraw/zinc/07/49/17/650074917.db2.gz DVDONOQZDSOVCU-WCQYABFASA-N 1 2 398.257 2.157 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)o1 ZINC000450899824 650074923 /nfs/dbraw/zinc/07/49/23/650074923.db2.gz DVDONOQZDSOVCU-WCQYABFASA-N 1 2 398.257 2.157 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)C[C@H]1CCCC1(F)F)[NH+]1CCOCC1 ZINC000451026856 650081002 /nfs/dbraw/zinc/08/10/02/650081002.db2.gz GNLSHFCSJINCPW-CVEARBPZSA-N 1 2 382.517 2.478 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)C[C@@H]1CCCC1(F)F)[NH+]1CCOCC1 ZINC000451026859 650081377 /nfs/dbraw/zinc/08/13/77/650081377.db2.gz GNLSHFCSJINCPW-JKSUJKDBSA-N 1 2 382.517 2.478 20 0 GEADLO C[C@H]1CN(C(=O)c2c(Cl)cc(F)cc2Br)CC[N@@H+]1CCO ZINC000451066017 650083280 /nfs/dbraw/zinc/08/32/80/650083280.db2.gz MKLQPYRFNAKPSK-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO C[C@H]1CN(C(=O)c2c(Cl)cc(F)cc2Br)CC[N@H+]1CCO ZINC000451066017 650083283 /nfs/dbraw/zinc/08/32/83/650083283.db2.gz MKLQPYRFNAKPSK-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@@H]2CCCC2(F)F)C[C@H](C)O1 ZINC000451108256 650087460 /nfs/dbraw/zinc/08/74/60/650087460.db2.gz AHLHHGPPHHDIFH-FZKCQIBNSA-N 1 2 380.501 2.325 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@@H]2CCCC2(F)F)C[C@H](C)O1 ZINC000451108256 650087462 /nfs/dbraw/zinc/08/74/62/650087462.db2.gz AHLHHGPPHHDIFH-FZKCQIBNSA-N 1 2 380.501 2.325 20 0 GEADLO Cc1csc(S(=O)(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000451341775 650105192 /nfs/dbraw/zinc/10/51/92/650105192.db2.gz LTLJHLCIDURDET-IRXDYDNUSA-N 1 2 380.535 2.218 20 0 GEADLO Cc1csc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000451341775 650105194 /nfs/dbraw/zinc/10/51/94/650105194.db2.gz LTLJHLCIDURDET-IRXDYDNUSA-N 1 2 380.535 2.218 20 0 GEADLO O=S(=O)(NCC[NH+]1CCC(O)CC1)c1c(Cl)cccc1C(F)(F)F ZINC000451987170 650161664 /nfs/dbraw/zinc/16/16/64/650161664.db2.gz GAGJUJUDFYJBJQ-UHFFFAOYSA-N 1 2 386.823 2.094 20 0 GEADLO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1nn(C)cc1I ZINC000453389815 650208821 /nfs/dbraw/zinc/20/88/21/650208821.db2.gz XUKTXFCGXOFTEB-VIFPVBQESA-N 1 2 379.242 2.235 20 0 GEADLO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454559211 650269402 /nfs/dbraw/zinc/26/94/02/650269402.db2.gz DNKVAJFPAVQXJF-OAHLLOKOSA-N 1 2 387.933 2.239 20 0 GEADLO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454559211 650269407 /nfs/dbraw/zinc/26/94/07/650269407.db2.gz DNKVAJFPAVQXJF-OAHLLOKOSA-N 1 2 387.933 2.239 20 0 GEADLO C[C@H](CCS(C)(=O)=O)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454687425 650276044 /nfs/dbraw/zinc/27/60/44/650276044.db2.gz SZVFDQIGXDOLAQ-GFCCVEGCSA-N 1 2 384.889 2.148 20 0 GEADLO O=C(c1ccc(I)cn1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000455885804 650325172 /nfs/dbraw/zinc/32/51/72/650325172.db2.gz XPAPSFIGQYUYPY-GFCCVEGCSA-N 1 2 382.205 2.188 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)C(=O)CCc2c[nH]c[nH+]2)c1 ZINC000456104806 650330829 /nfs/dbraw/zinc/33/08/29/650330829.db2.gz KWWSCSXXGMRKNT-HNNXBMFYSA-N 1 2 382.258 2.305 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)C(=O)CCc2c[nH+]c[nH]2)c1 ZINC000456104806 650330832 /nfs/dbraw/zinc/33/08/32/650330832.db2.gz KWWSCSXXGMRKNT-HNNXBMFYSA-N 1 2 382.258 2.305 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(F)c(F)cc1Br ZINC000456203019 650333808 /nfs/dbraw/zinc/33/38/08/650333808.db2.gz KHSHBCXZMOCGNN-AOOOYVTPSA-N 1 2 375.213 2.320 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(F)c(F)cc1Br ZINC000456203019 650333811 /nfs/dbraw/zinc/33/38/11/650333811.db2.gz KHSHBCXZMOCGNN-AOOOYVTPSA-N 1 2 375.213 2.320 20 0 GEADLO Cc1ccc(C[C@H](CO)CNC(=O)CCc2c[nH+]cn2C)cc1Br ZINC000456482930 650342656 /nfs/dbraw/zinc/34/26/56/650342656.db2.gz GBUXIPKWDJMFNM-HNNXBMFYSA-N 1 2 394.313 2.391 20 0 GEADLO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC000456714977 650357754 /nfs/dbraw/zinc/35/77/54/650357754.db2.gz JREXXCYXKFZHAS-CQSZACIVSA-N 1 2 394.313 2.391 20 0 GEADLO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC000456733055 650361309 /nfs/dbraw/zinc/36/13/09/650361309.db2.gz VNTMLIHKLBORDR-AWEZNQCLSA-N 1 2 380.286 2.312 20 0 GEADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc(Br)co1 ZINC000457605087 650381506 /nfs/dbraw/zinc/38/15/06/650381506.db2.gz UHFGQQQGCYIRPR-ZDUSSCGKSA-N 1 2 393.285 2.378 20 0 GEADLO C[C@]1(F)CC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000501391745 650390929 /nfs/dbraw/zinc/39/09/29/650390929.db2.gz HVNOXNKDNUYZCS-INIZCTEOSA-N 1 2 375.275 2.471 20 0 GEADLO C[C@]1(F)CC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000501391745 650390931 /nfs/dbraw/zinc/39/09/31/650390931.db2.gz HVNOXNKDNUYZCS-INIZCTEOSA-N 1 2 375.275 2.471 20 0 GEADLO CCN(C[C@H](C)O)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000501957358 650399569 /nfs/dbraw/zinc/39/95/69/650399569.db2.gz LCEPTLMBNMOZRP-LBPRGKRZSA-N 1 2 383.290 2.360 20 0 GEADLO C[C@H]1CC[N@H+](C)CCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000458884995 650413270 /nfs/dbraw/zinc/41/32/70/650413270.db2.gz GOGAGDGXBWQOKY-AWEZNQCLSA-N 1 2 387.933 2.239 20 0 GEADLO C[C@H]1CC[N@@H+](C)CCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000458884995 650413271 /nfs/dbraw/zinc/41/32/71/650413271.db2.gz GOGAGDGXBWQOKY-AWEZNQCLSA-N 1 2 387.933 2.239 20 0 GEADLO CSc1ccc([C@@H](CNC(=O)N(C)[C@H](C)CS(C)(=O)=O)[NH+](C)C)cc1 ZINC000458894361 650413602 /nfs/dbraw/zinc/41/36/02/650413602.db2.gz MZTVUZDSAVDBMC-CZUORRHYSA-N 1 2 387.571 2.086 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@H](CCO)c2ccccc2Br)c1 ZINC000459143208 650419432 /nfs/dbraw/zinc/41/94/32/650419432.db2.gz BZRCLOSPTOGGHT-OAHLLOKOSA-N 1 2 381.274 2.148 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000503703215 650421751 /nfs/dbraw/zinc/42/17/51/650421751.db2.gz KGFLDLYVTQSCPU-VHSXEESVSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000503703215 650421752 /nfs/dbraw/zinc/42/17/52/650421752.db2.gz KGFLDLYVTQSCPU-VHSXEESVSA-N 1 2 395.294 2.310 20 0 GEADLO Cc1c(Br)cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1Br ZINC000459714148 650430778 /nfs/dbraw/zinc/43/07/78/650430778.db2.gz TVEPIAUPDFNLMN-MFKMUULPSA-N 1 2 379.092 2.305 20 0 GEADLO Cc1c(Br)cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)cc1Br ZINC000459714148 650430782 /nfs/dbraw/zinc/43/07/82/650430782.db2.gz TVEPIAUPDFNLMN-MFKMUULPSA-N 1 2 379.092 2.305 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cc3[nH]cnc32)CCO1 ZINC000505109733 650434824 /nfs/dbraw/zinc/43/48/24/650434824.db2.gz VXGCRUWZUHYIFN-GFCCVEGCSA-N 1 2 381.274 2.166 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc3[nH]cnc32)CCO1 ZINC000505109733 650434825 /nfs/dbraw/zinc/43/48/25/650434825.db2.gz VXGCRUWZUHYIFN-GFCCVEGCSA-N 1 2 381.274 2.166 20 0 GEADLO CCCCC[N@H+](CC(N)=O)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000506042419 650442989 /nfs/dbraw/zinc/44/29/89/650442989.db2.gz SRFAIBORUZZOIG-UHFFFAOYSA-N 1 2 390.347 2.447 20 0 GEADLO CCCCC[N@@H+](CC(N)=O)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000506042419 650442991 /nfs/dbraw/zinc/44/29/91/650442991.db2.gz SRFAIBORUZZOIG-UHFFFAOYSA-N 1 2 390.347 2.447 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000506687675 650449848 /nfs/dbraw/zinc/44/98/48/650449848.db2.gz MUVASDDZNKEZNM-UHFFFAOYSA-N 1 2 382.917 2.301 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000506687675 650449850 /nfs/dbraw/zinc/44/98/50/650449850.db2.gz MUVASDDZNKEZNM-UHFFFAOYSA-N 1 2 382.917 2.301 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000461776897 650460126 /nfs/dbraw/zinc/46/01/26/650460126.db2.gz YNJLWBYDTILTCU-UHFFFAOYSA-N 1 2 399.285 2.076 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000507967976 650471002 /nfs/dbraw/zinc/47/10/02/650471002.db2.gz ISFBZKBXYQTRRY-RKDXNWHRSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000507967976 650471004 /nfs/dbraw/zinc/47/10/04/650471004.db2.gz ISFBZKBXYQTRRY-RKDXNWHRSA-N 1 2 383.258 2.440 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000508187253 650476958 /nfs/dbraw/zinc/47/69/58/650476958.db2.gz LVHWBTMXAKWDPC-UHFFFAOYSA-N 1 2 387.303 2.353 20 0 GEADLO C[NH+]1CCN(C(=O)c2cc(NCc3cscc3Br)ccn2)CC1 ZINC000508505508 650481530 /nfs/dbraw/zinc/48/15/30/650481530.db2.gz PHZLSGTVQVXYJJ-UHFFFAOYSA-N 1 2 395.326 2.327 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)NCc1cc(Br)cc2c1OCC2 ZINC000462503123 650482298 /nfs/dbraw/zinc/48/22/98/650482298.db2.gz JEGIRGZFWSFTJJ-UHFFFAOYSA-N 1 2 379.258 2.470 20 0 GEADLO CCCCN(CCCC)S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000462577159 650484840 /nfs/dbraw/zinc/48/48/40/650484840.db2.gz RQFNVRJOQPSDAU-GOSISDBHSA-N 1 2 375.579 2.320 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000508991492 650485658 /nfs/dbraw/zinc/48/56/58/650485658.db2.gz PADDGZWUYSPGGO-LLVKDONJSA-N 1 2 388.287 2.104 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000508991492 650485660 /nfs/dbraw/zinc/48/56/60/650485660.db2.gz PADDGZWUYSPGGO-LLVKDONJSA-N 1 2 388.287 2.104 20 0 GEADLO CC(C)(CNS(=O)(=O)CCC[NH+]1CCOCC1)c1c(F)cccc1Cl ZINC000463414216 650495197 /nfs/dbraw/zinc/49/51/97/650495197.db2.gz MLYRSRMJUJSUPW-UHFFFAOYSA-N 1 2 392.924 2.398 20 0 GEADLO C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C1(S(C)(=O)=O)CC1 ZINC000510262353 650509622 /nfs/dbraw/zinc/50/96/22/650509622.db2.gz SVPJYICJTBYPAK-SWLSCSKDSA-N 1 2 387.933 2.208 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H](O)C[C@H]3C)[nH+]c12 ZINC000472054145 650518949 /nfs/dbraw/zinc/51/89/49/650518949.db2.gz SNALMZKNTVJDLW-RISCZKNCSA-N 1 2 381.274 2.112 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511064122 650524876 /nfs/dbraw/zinc/52/48/76/650524876.db2.gz JMZRNEHDDJYUPL-UONOGXRCSA-N 1 2 387.933 2.270 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511064122 650524881 /nfs/dbraw/zinc/52/48/81/650524881.db2.gz JMZRNEHDDJYUPL-UONOGXRCSA-N 1 2 387.933 2.270 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)c2c[nH]c3ncc(Br)cc23)CCO1 ZINC000473221463 650524695 /nfs/dbraw/zinc/52/46/95/650524695.db2.gz KGEQGPRLEQECBW-GFCCVEGCSA-N 1 2 381.274 2.166 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2c[nH]c3ncc(Br)cc23)CCO1 ZINC000473221463 650524699 /nfs/dbraw/zinc/52/46/99/650524699.db2.gz KGEQGPRLEQECBW-GFCCVEGCSA-N 1 2 381.274 2.166 20 0 GEADLO O=C(c1sccc1Br)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000473983520 650526441 /nfs/dbraw/zinc/52/64/41/650526441.db2.gz RURIMUIFLJYNBV-LBPRGKRZSA-N 1 2 389.315 2.074 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)CCS(C)(=O)=O)c1ccsc1 ZINC000474242890 650528763 /nfs/dbraw/zinc/52/87/63/650528763.db2.gz UALAMWNHPMGTJC-UKRRQHHQSA-N 1 2 375.560 2.253 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)[C@@H](C)C1 ZINC000511220326 650529663 /nfs/dbraw/zinc/52/96/63/650529663.db2.gz HZCDZFOPALYPCI-JTQLQIEISA-N 1 2 395.308 2.495 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)[C@@H](C)C1 ZINC000511220326 650529664 /nfs/dbraw/zinc/52/96/64/650529664.db2.gz HZCDZFOPALYPCI-JTQLQIEISA-N 1 2 395.308 2.495 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)[C@H](C)C1 ZINC000511310960 650533182 /nfs/dbraw/zinc/53/31/82/650533182.db2.gz YOGHCVFJUSMGED-KGLIPLIRSA-N 1 2 390.933 2.468 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)[C@H](C)C1 ZINC000511310960 650533185 /nfs/dbraw/zinc/53/31/85/650533185.db2.gz YOGHCVFJUSMGED-KGLIPLIRSA-N 1 2 390.933 2.468 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)Nc1c(F)cccc1Br ZINC000475477559 650533980 /nfs/dbraw/zinc/53/39/80/650533980.db2.gz FXTLOUDMUJXPRW-UHFFFAOYSA-N 1 2 391.200 2.491 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(OC)ccc2Br)[C@H](C)C1 ZINC000511340039 650534246 /nfs/dbraw/zinc/53/42/46/650534246.db2.gz APZXUXWTLOHFRQ-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(OC)ccc2Br)[C@H](C)C1 ZINC000511340039 650534248 /nfs/dbraw/zinc/53/42/48/650534248.db2.gz APZXUXWTLOHFRQ-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO Cc1cc(NC(=O)c2sccc2S(=O)(=O)NCc2ccco2)cc[nH+]1 ZINC000511459836 650537584 /nfs/dbraw/zinc/53/75/84/650537584.db2.gz RPPMOPROSUNRIG-UHFFFAOYSA-N 1 2 377.447 2.197 20 0 GEADLO CCc1sc(-c2nnc(C[N@@H+]3CCC[C@H](CS(N)(=O)=O)C3)o2)cc1C ZINC000511596734 650539050 /nfs/dbraw/zinc/53/90/50/650539050.db2.gz HUCZWKPYQMRZGW-LBPRGKRZSA-N 1 2 384.527 2.169 20 0 GEADLO CCc1sc(-c2nnc(C[N@H+]3CCC[C@H](CS(N)(=O)=O)C3)o2)cc1C ZINC000511596734 650539054 /nfs/dbraw/zinc/53/90/54/650539054.db2.gz HUCZWKPYQMRZGW-LBPRGKRZSA-N 1 2 384.527 2.169 20 0 GEADLO C[NH+](C)CCCCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476527190 650552856 /nfs/dbraw/zinc/55/28/56/650552856.db2.gz YBCVAHWOWPUTMJ-UHFFFAOYSA-N 1 2 382.511 2.016 20 0 GEADLO COC(=O)C[C@@](C)([NH2+]Cc1nnc(C)n1C)c1ccc(Br)cc1 ZINC000513127004 650558234 /nfs/dbraw/zinc/55/82/34/650558234.db2.gz BEZUTGBLGLFMKN-MRXNPFEDSA-N 1 2 381.274 2.454 20 0 GEADLO Cc1cc(Cl)ccc1S(=O)(=O)NCCNCc1c[nH+]ccc1N(C)C ZINC000513016710 650556777 /nfs/dbraw/zinc/55/67/77/650556777.db2.gz LAMBLWRPBHQCNQ-UHFFFAOYSA-N 1 2 382.917 2.178 20 0 GEADLO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cnccc1N(C)C ZINC000513016710 650556780 /nfs/dbraw/zinc/55/67/80/650556780.db2.gz LAMBLWRPBHQCNQ-UHFFFAOYSA-N 1 2 382.917 2.178 20 0 GEADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)s3)CC2)cc1 ZINC000513054956 650556919 /nfs/dbraw/zinc/55/69/19/650556919.db2.gz VKJDSJKHBAYEEL-UHFFFAOYSA-N 1 2 377.897 2.387 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc([S@@](=O)Cc2ccc(C)[nH+]c2C)nc1 ZINC000477856731 650580065 /nfs/dbraw/zinc/58/00/65/650580065.db2.gz RHSULBHGPQGUFI-DEOSSOPVSA-N 1 2 381.523 2.432 20 0 GEADLO O=C1NCCCC[C@@H]1[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000478315408 650584262 /nfs/dbraw/zinc/58/42/62/650584262.db2.gz PFJJMNXDQJQJSS-INIZCTEOSA-N 1 2 384.293 2.375 20 0 GEADLO O=C1[C@H]([NH+]2CCN(Cc3cc(Br)ccc3F)CC2)CCN1C1CC1 ZINC000478373959 650584625 /nfs/dbraw/zinc/58/46/25/650584625.db2.gz SHJRYHWIVRJIIC-QGZVFWFLSA-N 1 2 396.304 2.469 20 0 GEADLO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC[S@](=O)C1 ZINC000516730670 650601033 /nfs/dbraw/zinc/60/10/33/650601033.db2.gz LJBWSTMUCYAWTA-WCMODOCESA-N 1 2 383.945 2.495 20 0 GEADLO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC[S@](=O)C1 ZINC000516730670 650601034 /nfs/dbraw/zinc/60/10/34/650601034.db2.gz LJBWSTMUCYAWTA-WCMODOCESA-N 1 2 383.945 2.495 20 0 GEADLO Cc1ccc(OCCC(=O)NCC[N@H+]2CCOC[C@H]2C)c(Br)c1 ZINC000520519904 650614941 /nfs/dbraw/zinc/61/49/41/650614941.db2.gz YQEFLRUEHDYBSW-CQSZACIVSA-N 1 2 385.302 2.363 20 0 GEADLO Cc1ccc(OCCC(=O)NCC[N@@H+]2CCOC[C@H]2C)c(Br)c1 ZINC000520519904 650614944 /nfs/dbraw/zinc/61/49/44/650614944.db2.gz YQEFLRUEHDYBSW-CQSZACIVSA-N 1 2 385.302 2.363 20 0 GEADLO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2c(F)cc(F)cc2F)CC1 ZINC000521688416 650618678 /nfs/dbraw/zinc/61/86/78/650618678.db2.gz FUOSJWYUZAOISJ-UHFFFAOYSA-N 1 2 380.432 2.272 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cc3c([nH]2)c(Br)ccc3OC)CC1 ZINC000522191545 650623405 /nfs/dbraw/zinc/62/34/05/650623405.db2.gz FTMADUZAGMSYGV-UHFFFAOYSA-N 1 2 396.285 2.343 20 0 GEADLO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000522212568 650623877 /nfs/dbraw/zinc/62/38/77/650623877.db2.gz JTBPNQUPVVTCMG-UHFFFAOYSA-N 1 2 381.523 2.235 20 0 GEADLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000480837169 650634233 /nfs/dbraw/zinc/63/42/33/650634233.db2.gz JMDODDVDMQSLOY-SDBXPKJASA-N 1 2 395.269 2.488 20 0 GEADLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000480837169 650634236 /nfs/dbraw/zinc/63/42/36/650634236.db2.gz JMDODDVDMQSLOY-SDBXPKJASA-N 1 2 395.269 2.488 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(Br)c1 ZINC000480905494 650637193 /nfs/dbraw/zinc/63/71/93/650637193.db2.gz YTKDYBRGLPYGLE-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(Br)c1 ZINC000480905494 650637194 /nfs/dbraw/zinc/63/71/94/650637194.db2.gz YTKDYBRGLPYGLE-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)COc2ccc(Br)cc2Cl)CCO1 ZINC000523712736 650637401 /nfs/dbraw/zinc/63/74/01/650637401.db2.gz NYYXFPVBRUIXBI-LLVKDONJSA-N 1 2 391.693 2.318 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)COc2ccc(Br)cc2Cl)CCO1 ZINC000523712736 650637402 /nfs/dbraw/zinc/63/74/02/650637402.db2.gz NYYXFPVBRUIXBI-LLVKDONJSA-N 1 2 391.693 2.318 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000481490929 650647751 /nfs/dbraw/zinc/64/77/51/650647751.db2.gz HSYDCTPBTTZLLP-NOLJZWGESA-N 1 2 386.286 2.462 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000481490929 650647753 /nfs/dbraw/zinc/64/77/53/650647753.db2.gz HSYDCTPBTTZLLP-NOLJZWGESA-N 1 2 386.286 2.462 20 0 GEADLO CN(C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000527337209 650673543 /nfs/dbraw/zinc/67/35/43/650673543.db2.gz RGVHFYZQOFAZKB-ZFWWWQNUSA-N 1 2 398.301 2.245 20 0 GEADLO CN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000527337209 650673546 /nfs/dbraw/zinc/67/35/46/650673546.db2.gz RGVHFYZQOFAZKB-ZFWWWQNUSA-N 1 2 398.301 2.245 20 0 GEADLO O=C(c1ccc(Br)s1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000483369312 650677341 /nfs/dbraw/zinc/67/73/41/650677341.db2.gz XTJZAXXFSOXMHO-GFCCVEGCSA-N 1 2 389.315 2.074 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000528300969 650687737 /nfs/dbraw/zinc/68/77/37/650687737.db2.gz HSWJLZXRAATNRB-JTQLQIEISA-N 1 2 379.360 2.157 20 0 GEADLO CNC(=O)NC[C@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCO1 ZINC000528121841 650685484 /nfs/dbraw/zinc/68/54/84/650685484.db2.gz QIGCCIPTMYCBBL-NSHDSACASA-N 1 2 379.258 2.132 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000528466134 650694581 /nfs/dbraw/zinc/69/45/81/650694581.db2.gz SSGRTQDAEMITTD-FPMFFAJLSA-N 1 2 386.359 2.366 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)N(CCO)Cc1cccc(Br)c1 ZINC000486056079 650706556 /nfs/dbraw/zinc/70/65/56/650706556.db2.gz CXMLMPQQDYVOIN-UHFFFAOYSA-N 1 2 381.274 2.240 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000486252269 650709756 /nfs/dbraw/zinc/70/97/56/650709756.db2.gz JMYSEVLJWBHWCE-STQMWFEESA-N 1 2 376.906 2.126 20 0 GEADLO C[C@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1ccc(Br)cn1 ZINC000530535644 650725823 /nfs/dbraw/zinc/72/58/23/650725823.db2.gz DXDNYOBFICROON-NSHDSACASA-N 1 2 388.269 2.208 20 0 GEADLO C[C@H](CS(C)(=O)=O)N(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531078694 650734280 /nfs/dbraw/zinc/73/42/80/650734280.db2.gz DZZSWEYZQHRGHE-DOMZBBRYSA-N 1 2 375.922 2.017 20 0 GEADLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531078701 650734369 /nfs/dbraw/zinc/73/43/69/650734369.db2.gz DZZSWEYZQHRGHE-SWLSCSKDSA-N 1 2 375.922 2.017 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000487522535 650735171 /nfs/dbraw/zinc/73/51/71/650735171.db2.gz SWJHSZIPFBYKBT-CQSZACIVSA-N 1 2 385.237 2.208 20 0 GEADLO COCC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000531779784 650744388 /nfs/dbraw/zinc/74/43/88/650744388.db2.gz NPIFVGGNKNKIAV-CYBMUJFWSA-N 1 2 391.331 2.180 20 0 GEADLO COc1ccc(Br)cc1C[N@H+](C)CC(=O)NC(=O)NCC(C)C ZINC000007976288 642346810 /nfs/dbraw/zinc/34/68/10/642346810.db2.gz DRUHQGDKDVYJMH-UHFFFAOYSA-N 1 2 386.290 2.371 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)NC(=O)NCC(C)C ZINC000007976288 642346814 /nfs/dbraw/zinc/34/68/14/642346814.db2.gz DRUHQGDKDVYJMH-UHFFFAOYSA-N 1 2 386.290 2.371 20 0 GEADLO CCOC(=O)C1=C(C[N@H+](C)Cc2ccc(Br)cc2)NC(=O)N[C@H]1C ZINC000023819504 642413849 /nfs/dbraw/zinc/41/38/49/642413849.db2.gz YVBUSSYDMFTHID-NSHDSACASA-N 1 2 396.285 2.399 20 0 GEADLO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccc(Br)cc2)NC(=O)N[C@H]1C ZINC000023819504 642413864 /nfs/dbraw/zinc/41/38/64/642413864.db2.gz YVBUSSYDMFTHID-NSHDSACASA-N 1 2 396.285 2.399 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000532665009 650751968 /nfs/dbraw/zinc/75/19/68/650751968.db2.gz PHLBZQCWVCWOJE-KBPBESRZSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000532665009 650751970 /nfs/dbraw/zinc/75/19/70/650751970.db2.gz PHLBZQCWVCWOJE-KBPBESRZSA-N 1 2 387.933 2.237 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(Cl)nc1)[NH+]1CCOCC1 ZINC000028049609 642444473 /nfs/dbraw/zinc/44/44/73/642444473.db2.gz KCHAAJUMPVYXBN-HNNXBMFYSA-N 1 2 375.922 2.150 20 0 GEADLO CO[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C[C@H]1OC ZINC000489201979 650755878 /nfs/dbraw/zinc/75/58/78/650755878.db2.gz MXTSSALAGKRWQC-BRWVUGGUSA-N 1 2 397.313 2.458 20 0 GEADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCC(=O)NC(N)=O ZINC000533042886 650756003 /nfs/dbraw/zinc/75/60/03/650756003.db2.gz JAXOQTMXKSCDNM-CYBMUJFWSA-N 1 2 376.240 2.114 20 0 GEADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCC(=O)NC(N)=O ZINC000533042886 650756006 /nfs/dbraw/zinc/75/60/06/650756006.db2.gz JAXOQTMXKSCDNM-CYBMUJFWSA-N 1 2 376.240 2.114 20 0 GEADLO CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000533088914 650756742 /nfs/dbraw/zinc/75/67/42/650756742.db2.gz BYNZZVVYWJMBKC-XHSDSOJGSA-N 1 2 387.615 2.266 20 0 GEADLO CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000533088913 650756753 /nfs/dbraw/zinc/75/67/53/650756753.db2.gz BYNZZVVYWJMBKC-JYJNAYRXSA-N 1 2 387.615 2.266 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000489340803 650757863 /nfs/dbraw/zinc/75/78/63/650757863.db2.gz HOEXUBHDIKMGAJ-UHFFFAOYSA-N 1 2 386.901 2.376 20 0 GEADLO O=C(COc1ccc(F)cc1Cl)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031940215 642493244 /nfs/dbraw/zinc/49/32/44/642493244.db2.gz XVFRAYCXCNWTEB-KRWDZBQOSA-N 1 2 388.892 2.182 20 0 GEADLO COc1cncc(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000533219130 650758682 /nfs/dbraw/zinc/75/86/82/650758682.db2.gz RXWQWHJCNLSUFN-UHFFFAOYSA-N 1 2 379.507 2.440 20 0 GEADLO C[C@@H](CNC(=O)C(=O)Nc1ccccc1Br)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000041965760 642537484 /nfs/dbraw/zinc/53/74/84/642537484.db2.gz UEJUISQVMBSVIF-RWMBFGLXSA-N 1 2 398.301 2.002 20 0 GEADLO C[C@@H](CNC(=O)C(=O)Nc1ccccc1Br)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000041965760 642537487 /nfs/dbraw/zinc/53/74/87/642537487.db2.gz UEJUISQVMBSVIF-RWMBFGLXSA-N 1 2 398.301 2.002 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)N[C@H](C)CCCC(C)C)CC1 ZINC000042134130 642542883 /nfs/dbraw/zinc/54/28/83/642542883.db2.gz CZCUNBIILUGGDJ-MRXNPFEDSA-N 1 2 375.579 2.111 20 0 GEADLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000042641486 642554318 /nfs/dbraw/zinc/55/43/18/642554318.db2.gz JECQRKQZPUIAJA-ZDUSSCGKSA-N 1 2 387.571 2.184 20 0 GEADLO CCc1nc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 ZINC000043594629 642562419 /nfs/dbraw/zinc/56/24/19/642562419.db2.gz JTGONDGRHWHRLN-UHFFFAOYSA-N 1 2 381.523 2.016 20 0 GEADLO COc1ncc(C[N@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000533558734 650762783 /nfs/dbraw/zinc/76/27/83/650762783.db2.gz PWSUUTCFUZWTKS-UHFFFAOYSA-N 1 2 383.901 2.462 20 0 GEADLO COc1ncc(C[N@@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000533558734 650762784 /nfs/dbraw/zinc/76/27/84/650762784.db2.gz PWSUUTCFUZWTKS-UHFFFAOYSA-N 1 2 383.901 2.462 20 0 GEADLO O=S(=O)(CC[N@H+]1CCCC[C@H]1CCO)c1ccc(Br)cc1 ZINC000048934725 642664096 /nfs/dbraw/zinc/66/40/96/642664096.db2.gz DHXFDMDGWPNRMP-AWEZNQCLSA-N 1 2 376.316 2.460 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCCC[C@H]1CCO)c1ccc(Br)cc1 ZINC000048934725 642664100 /nfs/dbraw/zinc/66/41/00/642664100.db2.gz DHXFDMDGWPNRMP-AWEZNQCLSA-N 1 2 376.316 2.460 20 0 GEADLO O=C(NCCOc1ccc(Br)cc1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000490137671 650769303 /nfs/dbraw/zinc/76/93/03/650769303.db2.gz RUBQXBBQEGVVJV-KRWDZBQOSA-N 1 2 397.313 2.445 20 0 GEADLO O=C(NCCOc1ccc(Br)cc1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000490137671 650769306 /nfs/dbraw/zinc/76/93/06/650769306.db2.gz RUBQXBBQEGVVJV-KRWDZBQOSA-N 1 2 397.313 2.445 20 0 GEADLO CSc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1 ZINC000052133648 642710542 /nfs/dbraw/zinc/71/05/42/642710542.db2.gz KWWYGHMDJKJHKL-OAHLLOKOSA-N 1 2 385.555 2.141 20 0 GEADLO CSc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1 ZINC000052133648 642710545 /nfs/dbraw/zinc/71/05/45/642710545.db2.gz KWWYGHMDJKJHKL-OAHLLOKOSA-N 1 2 385.555 2.141 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000534637639 650778983 /nfs/dbraw/zinc/77/89/83/650778983.db2.gz ZGGBYRREZPYXKV-HOCLYGCPSA-N 1 2 380.491 2.258 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000534637639 650778986 /nfs/dbraw/zinc/77/89/86/650778986.db2.gz ZGGBYRREZPYXKV-HOCLYGCPSA-N 1 2 380.491 2.258 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052694860 642725009 /nfs/dbraw/zinc/72/50/09/642725009.db2.gz PHLBZQCWVCWOJE-UONOGXRCSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052694860 642725019 /nfs/dbraw/zinc/72/50/19/642725019.db2.gz PHLBZQCWVCWOJE-UONOGXRCSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1cc(NC(=O)C[N@H+](C)C[C@H](O)COc2ccc(Br)cc2)no1 ZINC000053844233 642740518 /nfs/dbraw/zinc/74/05/18/642740518.db2.gz VIFRLNYQTNCWGE-ZDUSSCGKSA-N 1 2 398.257 2.056 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+](C)C[C@H](O)COc2ccc(Br)cc2)no1 ZINC000053844233 642740523 /nfs/dbraw/zinc/74/05/23/642740523.db2.gz VIFRLNYQTNCWGE-ZDUSSCGKSA-N 1 2 398.257 2.056 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000055235412 642771741 /nfs/dbraw/zinc/77/17/41/642771741.db2.gz ADINAPSBRSVGJQ-UHFFFAOYSA-N 1 2 388.555 2.023 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc2nn(C[N@H+](C)CC3CC3)c(=S)n2c1 ZINC000057088832 642803634 /nfs/dbraw/zinc/80/36/34/642803634.db2.gz GNYAYQUDRKILIZ-UHFFFAOYSA-N 1 2 383.543 2.195 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc2nn(C[N@@H+](C)CC3CC3)c(=S)n2c1 ZINC000057088832 642803637 /nfs/dbraw/zinc/80/36/37/642803637.db2.gz GNYAYQUDRKILIZ-UHFFFAOYSA-N 1 2 383.543 2.195 20 0 GEADLO O=C(NCCn1cc[nH+]c1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000057200809 642808229 /nfs/dbraw/zinc/80/82/29/642808229.db2.gz XPSYLKWXXWAUKD-CQSZACIVSA-N 1 2 392.301 2.471 20 0 GEADLO COc1ccc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1Br ZINC000535072303 650784433 /nfs/dbraw/zinc/78/44/33/650784433.db2.gz DINIYFAJLSFGOW-ZDUSSCGKSA-N 1 2 391.331 2.361 20 0 GEADLO COc1ccc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1Br ZINC000535072303 650784436 /nfs/dbraw/zinc/78/44/36/650784436.db2.gz DINIYFAJLSFGOW-ZDUSSCGKSA-N 1 2 391.331 2.361 20 0 GEADLO CC1(C)C(=O)NCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000066528431 642919196 /nfs/dbraw/zinc/91/91/96/642919196.db2.gz LQBVMTFEHAQGHI-LLVKDONJSA-N 1 2 391.693 2.053 20 0 GEADLO CC1(C)C(=O)NCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000066528431 642919202 /nfs/dbraw/zinc/91/92/02/642919202.db2.gz LQBVMTFEHAQGHI-LLVKDONJSA-N 1 2 391.693 2.053 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000069148636 643021478 /nfs/dbraw/zinc/02/14/78/643021478.db2.gz VFHLOKAXQLBVBO-HNNXBMFYSA-N 1 2 385.555 2.104 20 0 GEADLO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc(O)ccc1Br ZINC000092473763 643071928 /nfs/dbraw/zinc/07/19/28/643071928.db2.gz KKBHYPJDTXIBFQ-OAHLLOKOSA-N 1 2 376.291 2.389 20 0 GEADLO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc(O)ccc1Br ZINC000092473763 643071933 /nfs/dbraw/zinc/07/19/33/643071933.db2.gz KKBHYPJDTXIBFQ-OAHLLOKOSA-N 1 2 376.291 2.389 20 0 GEADLO CCOc1cc(C[N@H+](CCOC)[C@@H](C)C(N)=O)cc(Br)c1OC ZINC000093138508 643075733 /nfs/dbraw/zinc/07/57/33/643075733.db2.gz CQDXPSCVHZHVRP-NSHDSACASA-N 1 2 389.290 2.179 20 0 GEADLO CCOc1cc(C[N@@H+](CCOC)[C@@H](C)C(N)=O)cc(Br)c1OC ZINC000093138508 643075739 /nfs/dbraw/zinc/07/57/39/643075739.db2.gz CQDXPSCVHZHVRP-NSHDSACASA-N 1 2 389.290 2.179 20 0 GEADLO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1OC ZINC000093530925 643077648 /nfs/dbraw/zinc/07/76/48/643077648.db2.gz BSNMXGJUNGUYGV-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1OC ZINC000093530925 643077651 /nfs/dbraw/zinc/07/76/51/643077651.db2.gz BSNMXGJUNGUYGV-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1c[nH]c2nccc(Cl)c12 ZINC000093927787 643085037 /nfs/dbraw/zinc/08/50/37/643085037.db2.gz WIAIPAPYMJDVPT-LLVKDONJSA-N 1 2 377.857 2.169 20 0 GEADLO CS(=O)(=O)CC[C@H]([NH3+])c1nc(-c2cc(F)cc(Br)c2)no1 ZINC000097712031 643098060 /nfs/dbraw/zinc/09/80/60/643098060.db2.gz DPLPTDMIGYIRKG-JTQLQIEISA-N 1 2 378.223 2.073 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)sc2C1 ZINC000097676934 643098331 /nfs/dbraw/zinc/09/83/31/643098331.db2.gz BTZHBCANDPENNY-UHFFFAOYSA-N 1 2 385.898 2.440 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)sc2C1 ZINC000097676934 643098337 /nfs/dbraw/zinc/09/83/37/643098337.db2.gz BTZHBCANDPENNY-UHFFFAOYSA-N 1 2 385.898 2.440 20 0 GEADLO CC[N@H+](CC(=O)Nc1cccc(I)c1)Cc1cnn(C)c1 ZINC000103474681 643167773 /nfs/dbraw/zinc/16/77/73/643167773.db2.gz YFYCCBVXHPLJAE-UHFFFAOYSA-N 1 2 398.248 2.485 20 0 GEADLO CC[N@@H+](CC(=O)Nc1cccc(I)c1)Cc1cnn(C)c1 ZINC000103474681 643167787 /nfs/dbraw/zinc/16/77/87/643167787.db2.gz YFYCCBVXHPLJAE-UHFFFAOYSA-N 1 2 398.248 2.485 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCCNc1ncc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000105139014 643199863 /nfs/dbraw/zinc/19/98/63/643199863.db2.gz WMLPLULCGKFVNG-NWDGAFQWSA-N 1 2 390.315 2.209 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCc1cc(Br)cs1)[NH+]1CCOCC1 ZINC000105152461 643200308 /nfs/dbraw/zinc/20/03/08/643200308.db2.gz YANFBHJJQKTAAF-WDEREUQCSA-N 1 2 376.320 2.419 20 0 GEADLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccccc3Br)C2)CC1 ZINC000106798552 643238564 /nfs/dbraw/zinc/23/85/64/643238564.db2.gz UIDQOHBHTYOBLC-INIZCTEOSA-N 1 2 380.330 2.230 20 0 GEADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000495198223 650823764 /nfs/dbraw/zinc/82/37/64/650823764.db2.gz ZWHWZUOKZOOJMR-HOCLYGCPSA-N 1 2 385.302 2.132 20 0 GEADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000495198223 650823767 /nfs/dbraw/zinc/82/37/67/650823767.db2.gz ZWHWZUOKZOOJMR-HOCLYGCPSA-N 1 2 385.302 2.132 20 0 GEADLO O=C(CCNC(=O)c1ccc(Br)cc1)NCCCCn1cc[nH+]c1 ZINC000108666374 643280538 /nfs/dbraw/zinc/28/05/38/643280538.db2.gz YXKINZHUHBFZSJ-UHFFFAOYSA-N 1 2 393.285 2.362 20 0 GEADLO CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000110192656 643307976 /nfs/dbraw/zinc/30/79/76/643307976.db2.gz WXSOQJMBKUXVLA-UHFFFAOYSA-N 1 2 376.463 2.436 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](Cc2cccc(OC(F)F)c2)C[C@H]2CCCO2)C1 ZINC000111233079 643330268 /nfs/dbraw/zinc/33/02/68/643330268.db2.gz LSTICTAFLKXOMU-GDBMZVCRSA-N 1 2 375.437 2.456 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2cccc(OC(F)F)c2)C[C@H]2CCCO2)C1 ZINC000111233079 643330273 /nfs/dbraw/zinc/33/02/73/643330273.db2.gz LSTICTAFLKXOMU-GDBMZVCRSA-N 1 2 375.437 2.456 20 0 GEADLO CCCCN(C)S(=O)(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000111357840 643337708 /nfs/dbraw/zinc/33/77/08/643337708.db2.gz QJWUAWNRSZOQHC-UHFFFAOYSA-N 1 2 388.603 2.484 20 0 GEADLO CCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H](C)CS(C)(=O)=O ZINC000112740517 643372202 /nfs/dbraw/zinc/37/22/02/643372202.db2.gz RITKYEWJXYPVNW-HUUCEWRRSA-N 1 2 387.571 2.350 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)CCn3cc(Br)ccc3=O)sc2C1 ZINC000112875522 643375827 /nfs/dbraw/zinc/37/58/27/643375827.db2.gz KIGIJWUEUGAXNI-UHFFFAOYSA-N 1 2 397.298 2.084 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)CCn3cc(Br)ccc3=O)sc2C1 ZINC000112875522 643375836 /nfs/dbraw/zinc/37/58/36/643375836.db2.gz KIGIJWUEUGAXNI-UHFFFAOYSA-N 1 2 397.298 2.084 20 0 GEADLO COCC[N@H+](CCC(=O)OC)CC(=O)Nc1ccc(Br)c(C)c1 ZINC000113255050 643386214 /nfs/dbraw/zinc/38/62/14/643386214.db2.gz FDEDWQRKMDEAQA-UHFFFAOYSA-N 1 2 387.274 2.208 20 0 GEADLO COCC[N@@H+](CCC(=O)OC)CC(=O)Nc1ccc(Br)c(C)c1 ZINC000113255050 643386215 /nfs/dbraw/zinc/38/62/15/643386215.db2.gz FDEDWQRKMDEAQA-UHFFFAOYSA-N 1 2 387.274 2.208 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)NCCS(=O)(=O)C(C)(C)C)cn2c1 ZINC000113448439 643398448 /nfs/dbraw/zinc/39/84/48/643398448.db2.gz QODKEVABXKQBTG-UHFFFAOYSA-N 1 2 383.539 2.205 20 0 GEADLO C[C@H](CNS(=O)(=O)c1c[nH]c2ncccc12)[N@@H+]1CCc2sccc2C1 ZINC000114736491 643424883 /nfs/dbraw/zinc/42/48/83/643424883.db2.gz AODNNQAVFFYULO-GFCCVEGCSA-N 1 2 376.507 2.350 20 0 GEADLO C[C@H](CNS(=O)(=O)c1c[nH]c2ncccc12)[N@H+]1CCc2sccc2C1 ZINC000114736491 643424891 /nfs/dbraw/zinc/42/48/91/643424891.db2.gz AODNNQAVFFYULO-GFCCVEGCSA-N 1 2 376.507 2.350 20 0 GEADLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000497768317 650840200 /nfs/dbraw/zinc/84/02/00/650840200.db2.gz KHIMKNMJLPDPEA-INIZCTEOSA-N 1 2 396.329 2.164 20 0 GEADLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000497768317 650840204 /nfs/dbraw/zinc/84/02/04/650840204.db2.gz KHIMKNMJLPDPEA-INIZCTEOSA-N 1 2 396.329 2.164 20 0 GEADLO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Cl ZINC000117361638 643488289 /nfs/dbraw/zinc/48/82/89/643488289.db2.gz RHICMNLJUVOZLI-QLFBSQMISA-N 1 2 387.933 2.306 20 0 GEADLO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Cl ZINC000117361638 643488292 /nfs/dbraw/zinc/48/82/92/643488292.db2.gz RHICMNLJUVOZLI-QLFBSQMISA-N 1 2 387.933 2.306 20 0 GEADLO CCc1ccc(CNC(=O)C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)s1 ZINC000539378804 650843802 /nfs/dbraw/zinc/84/38/02/650843802.db2.gz IBCOMJORGAMVGM-QGZVFWFLSA-N 1 2 380.535 2.302 20 0 GEADLO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000539377042 650843873 /nfs/dbraw/zinc/84/38/73/650843873.db2.gz PGKPNGBCSHQCDJ-AWEZNQCLSA-N 1 2 380.432 2.161 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000118468226 643513780 /nfs/dbraw/zinc/51/37/80/643513780.db2.gz CBELXBRBCRPTQA-NHYWBVRUSA-N 1 2 376.284 2.047 20 0 GEADLO Cc1cc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1Br ZINC000119632622 643562400 /nfs/dbraw/zinc/56/24/00/643562400.db2.gz DYEVYYGQQVUKPC-UHFFFAOYSA-N 1 2 380.330 2.498 20 0 GEADLO C[C@@]([NH2+]CC(=O)Nc1ccc(Br)cc1)(C(N)=O)c1ccccc1 ZINC000120008034 643584774 /nfs/dbraw/zinc/58/47/74/643584774.db2.gz FUWSRCVQHQPDFB-KRWDZBQOSA-N 1 2 376.254 2.378 20 0 GEADLO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000120002681 643584915 /nfs/dbraw/zinc/58/49/15/643584915.db2.gz JAPHTPKXXSNDCO-IAGOWNOFSA-N 1 2 380.535 2.218 20 0 GEADLO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000120002681 643584920 /nfs/dbraw/zinc/58/49/20/643584920.db2.gz JAPHTPKXXSNDCO-IAGOWNOFSA-N 1 2 380.535 2.218 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000123436540 643670156 /nfs/dbraw/zinc/67/01/56/643670156.db2.gz RGBXTMPHUMDUIT-NSHDSACASA-N 1 2 376.931 2.340 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000123436540 643670159 /nfs/dbraw/zinc/67/01/59/643670159.db2.gz RGBXTMPHUMDUIT-NSHDSACASA-N 1 2 376.931 2.340 20 0 GEADLO CCOc1cccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)c1OC(F)F ZINC000123452112 643671214 /nfs/dbraw/zinc/67/12/14/643671214.db2.gz YAGKRBZJNHGYOK-UHFFFAOYSA-N 1 2 378.441 2.200 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)C3CN(CC(F)(F)F)C3)CC2)s1 ZINC000498642154 650861459 /nfs/dbraw/zinc/86/14/59/650861459.db2.gz JJQFTYSIBDAMGB-UHFFFAOYSA-N 1 2 375.460 2.449 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127151980 643759972 /nfs/dbraw/zinc/75/99/72/643759972.db2.gz FUGIPNLHTNUWLG-GXTWGEPZSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127151980 643759976 /nfs/dbraw/zinc/75/99/76/643759976.db2.gz FUGIPNLHTNUWLG-GXTWGEPZSA-N 1 2 383.286 2.196 20 0 GEADLO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+](CCO)C2CCCCC2)c1 ZINC000128644010 643808950 /nfs/dbraw/zinc/80/89/50/643808950.db2.gz LGKJHNIWBSRKOY-UHFFFAOYSA-N 1 2 388.917 2.309 20 0 GEADLO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+](CCO)C2CCCCC2)c1 ZINC000128644010 643808954 /nfs/dbraw/zinc/80/89/54/643808954.db2.gz LGKJHNIWBSRKOY-UHFFFAOYSA-N 1 2 388.917 2.309 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000130660088 643847478 /nfs/dbraw/zinc/84/74/78/643847478.db2.gz YRMLLNCGMPKKPA-UHFFFAOYSA-N 1 2 379.448 2.007 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000130660088 643847480 /nfs/dbraw/zinc/84/74/80/643847480.db2.gz YRMLLNCGMPKKPA-UHFFFAOYSA-N 1 2 379.448 2.007 20 0 GEADLO O=C(NC[C@@H]1CCCCS1(=O)=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000541428143 650875732 /nfs/dbraw/zinc/87/57/32/650875732.db2.gz FZCWDWFQDKMZMP-AWEZNQCLSA-N 1 2 386.543 2.218 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(C(=O)c2sc(C)c(Br)c2OC)CC1 ZINC000131663894 643875909 /nfs/dbraw/zinc/87/59/09/643875909.db2.gz QGYOHWFDIXQFJL-LLVKDONJSA-N 1 2 391.331 2.356 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000541328609 650874245 /nfs/dbraw/zinc/87/42/45/650874245.db2.gz YVTKBJACTRMTCE-CQSZACIVSA-N 1 2 395.301 2.103 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000541328609 650874247 /nfs/dbraw/zinc/87/42/47/650874247.db2.gz YVTKBJACTRMTCE-CQSZACIVSA-N 1 2 395.301 2.103 20 0 GEADLO O[C@@H](COc1c(Br)cccc1Br)C[NH+]1CCOCC1 ZINC000153764981 644004870 /nfs/dbraw/zinc/00/48/70/644004870.db2.gz ZIYIHIHUWNPHPE-SNVBAGLBSA-N 1 2 395.091 2.284 20 0 GEADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000154198884 644024872 /nfs/dbraw/zinc/02/48/72/644024872.db2.gz DOUHIZAWYAETKJ-ABAIWWIYSA-N 1 2 379.869 2.086 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H](CCO)c1ccccc1Br ZINC000542878726 650892858 /nfs/dbraw/zinc/89/28/58/650892858.db2.gz JSTXXXVBDVNUHQ-OAHLLOKOSA-N 1 2 395.301 2.451 20 0 GEADLO C[C@@H](OC[C@@H](O)C[N@H+](CCS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000156864103 644122642 /nfs/dbraw/zinc/12/26/42/644122642.db2.gz RYBGTOFVHFRIEL-DYVFJYSZSA-N 1 2 375.918 2.288 20 0 GEADLO C[C@@H](OC[C@@H](O)C[N@@H+](CCS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000156864103 644122647 /nfs/dbraw/zinc/12/26/47/644122647.db2.gz RYBGTOFVHFRIEL-DYVFJYSZSA-N 1 2 375.918 2.288 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)CCc2ncc(C)s2)n1 ZINC000157116067 644131152 /nfs/dbraw/zinc/13/11/52/644131152.db2.gz BJHCYADAPFVBLU-UHFFFAOYSA-N 1 2 382.511 2.127 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+](C)CCc2ncc(C)s2)n1 ZINC000157116067 644131157 /nfs/dbraw/zinc/13/11/57/644131157.db2.gz BJHCYADAPFVBLU-UHFFFAOYSA-N 1 2 382.511 2.127 20 0 GEADLO C[C@@H](NC(=O)c1cc2c(c(Br)c1)OCO2)[C@@H](C)[NH+]1CCOCC1 ZINC000170887246 644295497 /nfs/dbraw/zinc/29/54/97/644295497.db2.gz FEWATJVXOZCPFM-GHMZBOCLSA-N 1 2 385.258 2.017 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)NCc1ccc(Cl)s1 ZINC000171619676 644330512 /nfs/dbraw/zinc/33/05/12/644330512.db2.gz UGNPWZXHYUYKTC-GFCCVEGCSA-N 1 2 379.917 2.435 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)NCc1ccc(Cl)s1 ZINC000171619676 644330519 /nfs/dbraw/zinc/33/05/19/644330519.db2.gz UGNPWZXHYUYKTC-GFCCVEGCSA-N 1 2 379.917 2.435 20 0 GEADLO CC[C@H]([NH2+]CC(=O)N(CC)CC(=O)NCc1cccs1)c1nccs1 ZINC000543452379 650912474 /nfs/dbraw/zinc/91/24/74/650912474.db2.gz VXMBOHDQNGIPOY-AWEZNQCLSA-N 1 2 380.539 2.410 20 0 GEADLO COCC[N@@H+]1CC[C@@H](NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000543654335 650917389 /nfs/dbraw/zinc/91/73/89/650917389.db2.gz MUJSRLANODMISZ-LLVKDONJSA-N 1 2 381.889 2.123 20 0 GEADLO COCC[N@H+]1CC[C@@H](NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000543654335 650917394 /nfs/dbraw/zinc/91/73/94/650917394.db2.gz MUJSRLANODMISZ-LLVKDONJSA-N 1 2 381.889 2.123 20 0 GEADLO COC(=O)N1CC(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000178599260 644435078 /nfs/dbraw/zinc/43/50/78/644435078.db2.gz SEBRKJBYFRHYJF-HNNXBMFYSA-N 1 2 396.285 2.153 20 0 GEADLO Cc1cc(Br)cc2cc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)oc21 ZINC000179455172 644460609 /nfs/dbraw/zinc/46/06/09/644460609.db2.gz ONBSLWXHUVWYGH-AWEZNQCLSA-N 1 2 378.270 2.233 20 0 GEADLO Cc1cc(Br)cc(C[NH+]2CCN(CC(=O)NC(C)C)CC2)c1O ZINC000179600132 644465573 /nfs/dbraw/zinc/46/55/73/644465573.db2.gz LOLYVBBMSMXKMB-UHFFFAOYSA-N 1 2 384.318 2.105 20 0 GEADLO C[C@H](CN1CCOCC1)[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000180564359 644507981 /nfs/dbraw/zinc/50/79/81/644507981.db2.gz GBUURLLXGIWARJ-CQSZACIVSA-N 1 2 386.323 2.472 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000180639504 644510990 /nfs/dbraw/zinc/51/09/90/644510990.db2.gz TXFYPXNZNWTSKB-BDJLRTHQSA-N 1 2 393.285 2.018 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000180639504 644510992 /nfs/dbraw/zinc/51/09/92/644510992.db2.gz TXFYPXNZNWTSKB-BDJLRTHQSA-N 1 2 393.285 2.018 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000181627328 644942879 /nfs/dbraw/zinc/94/28/79/644942879.db2.gz ZGJOMVPQBNNKBV-NEPJUHHUSA-N 1 2 389.279 2.376 20 0 GEADLO C[C@@H](C[N@H+](C)CN1C(=O)C(=O)N(Cc2cccs2)C1=O)c1nccs1 ZINC000182840732 644972300 /nfs/dbraw/zinc/97/23/00/644972300.db2.gz ZDAQWMYDTLYDLR-NSHDSACASA-N 1 2 378.479 2.188 20 0 GEADLO C[C@@H](C[N@@H+](C)CN1C(=O)C(=O)N(Cc2cccs2)C1=O)c1nccs1 ZINC000182840732 644972304 /nfs/dbraw/zinc/97/23/04/644972304.db2.gz ZDAQWMYDTLYDLR-NSHDSACASA-N 1 2 378.479 2.188 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000185129708 645035747 /nfs/dbraw/zinc/03/57/47/645035747.db2.gz CMLOPRCYDLCULL-LLVKDONJSA-N 1 2 379.404 2.242 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000545504330 650977175 /nfs/dbraw/zinc/97/71/75/650977175.db2.gz HHLUGSDPJREMMR-ABAIWWIYSA-N 1 2 395.301 2.312 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000545504330 650977180 /nfs/dbraw/zinc/97/71/80/650977180.db2.gz HHLUGSDPJREMMR-ABAIWWIYSA-N 1 2 395.301 2.312 20 0 GEADLO CN1CCN(c2cc(NCCc3ccc(Br)cc3)[nH+]cn2)CC1=O ZINC000186059149 645058651 /nfs/dbraw/zinc/05/86/51/645058651.db2.gz SEAZZUPHAHDNMF-UHFFFAOYSA-N 1 2 390.285 2.172 20 0 GEADLO CN1CCN(c2cc(NCCc3ccc(Br)cc3)nc[nH+]2)CC1=O ZINC000186059149 645058654 /nfs/dbraw/zinc/05/86/54/645058654.db2.gz SEAZZUPHAHDNMF-UHFFFAOYSA-N 1 2 390.285 2.172 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cc[nH]c(=O)c3)[nH+]c12 ZINC000545484007 650976437 /nfs/dbraw/zinc/97/64/37/650976437.db2.gz XUDQKZLGRBJDQE-UHFFFAOYSA-N 1 2 375.226 2.478 20 0 GEADLO O=S(=O)([C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1)N1CCCC1 ZINC000187188533 645084790 /nfs/dbraw/zinc/08/47/90/645084790.db2.gz PDNNMQNOQOHQTG-BBRMVZONSA-N 1 2 376.881 2.012 20 0 GEADLO O=S(=O)([C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1)N1CCCC1 ZINC000187188533 645084793 /nfs/dbraw/zinc/08/47/93/645084793.db2.gz PDNNMQNOQOHQTG-BBRMVZONSA-N 1 2 376.881 2.012 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH+](CC3CCOCC3)CC2)sc1Cl ZINC000187986873 645103411 /nfs/dbraw/zinc/10/34/11/645103411.db2.gz BPSLAFDCBCSNAJ-UHFFFAOYSA-N 1 2 378.947 2.443 20 0 GEADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000188307179 645112800 /nfs/dbraw/zinc/11/28/00/645112800.db2.gz JBCVWPUGYCEBRS-LBPRGKRZSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000188307179 645112804 /nfs/dbraw/zinc/11/28/04/645112804.db2.gz JBCVWPUGYCEBRS-LBPRGKRZSA-N 1 2 380.432 2.171 20 0 GEADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)[nH+]1 ZINC000190864846 645166877 /nfs/dbraw/zinc/16/68/77/645166877.db2.gz RBUYNJXKCFRNQL-UHFFFAOYSA-N 1 2 393.593 2.439 20 0 GEADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NNc1cncc(Cl)n1 ZINC000190866477 645166899 /nfs/dbraw/zinc/16/68/99/645166899.db2.gz AYJKQLRNBBKFQG-UHFFFAOYSA-N 1 2 381.267 2.468 20 0 GEADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NNc1cncc(Cl)n1 ZINC000190866477 645166902 /nfs/dbraw/zinc/16/69/02/645166902.db2.gz AYJKQLRNBBKFQG-UHFFFAOYSA-N 1 2 381.267 2.468 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc(Br)c(F)cc1F ZINC000192119250 645195863 /nfs/dbraw/zinc/19/58/63/645195863.db2.gz KFCZGWHRCNJKOE-JTQLQIEISA-N 1 2 375.213 2.320 20 0 GEADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc(Br)c(F)cc1F ZINC000192119250 645195869 /nfs/dbraw/zinc/19/58/69/645195869.db2.gz KFCZGWHRCNJKOE-JTQLQIEISA-N 1 2 375.213 2.320 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000193066475 645237712 /nfs/dbraw/zinc/23/77/12/645237712.db2.gz LVXOPASGDZPRQX-UHFFFAOYSA-N 1 2 391.269 2.089 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000193066475 645237720 /nfs/dbraw/zinc/23/77/20/645237720.db2.gz LVXOPASGDZPRQX-UHFFFAOYSA-N 1 2 391.269 2.089 20 0 GEADLO O=C(Cn1cccc(Br)c1=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000193070489 645237893 /nfs/dbraw/zinc/23/78/93/645237893.db2.gz KFQSGXROOGNQLX-UHFFFAOYSA-N 1 2 396.310 2.017 20 0 GEADLO Cc1nc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1Br ZINC000193459608 645275208 /nfs/dbraw/zinc/27/52/08/645275208.db2.gz XLMYSASEZZPRRX-UHFFFAOYSA-N 1 2 392.257 2.151 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000193575786 645286095 /nfs/dbraw/zinc/28/60/95/645286095.db2.gz OGYDICPFOILUJA-TXEJJXNPSA-N 1 2 388.295 2.500 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000193575786 645286099 /nfs/dbraw/zinc/28/60/99/645286099.db2.gz OGYDICPFOILUJA-TXEJJXNPSA-N 1 2 388.295 2.500 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)C(=O)Nc1ccc(Br)cc1 ZINC000193719210 645293432 /nfs/dbraw/zinc/29/34/32/645293432.db2.gz KQDVQNKHHPYKPF-UHFFFAOYSA-N 1 2 377.242 2.401 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000194022070 645308187 /nfs/dbraw/zinc/30/81/87/645308187.db2.gz FOVXZRWQXYOMAK-ZIAGYGMSSA-N 1 2 384.929 2.169 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000194022070 645308190 /nfs/dbraw/zinc/30/81/90/645308190.db2.gz FOVXZRWQXYOMAK-ZIAGYGMSSA-N 1 2 384.929 2.169 20 0 GEADLO COC[C@H](CCO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000228267612 645395654 /nfs/dbraw/zinc/39/56/54/645395654.db2.gz UDTHZNVOIIJBCC-VIFPVBQESA-N 1 2 383.080 2.404 20 0 GEADLO C[N@@H+](Cc1nnnn1-c1ccccc1Br)C[C@H]1CCCC[C@H]1O ZINC000245547301 645460877 /nfs/dbraw/zinc/46/08/77/645460877.db2.gz MRGQHBXIAIUCER-IUODEOHRSA-N 1 2 380.290 2.408 20 0 GEADLO C[N@H+](Cc1nnnn1-c1ccccc1Br)C[C@H]1CCCC[C@H]1O ZINC000245547301 645460884 /nfs/dbraw/zinc/46/08/84/645460884.db2.gz MRGQHBXIAIUCER-IUODEOHRSA-N 1 2 380.290 2.408 20 0 GEADLO C[C@H]([C@H](C)NC(=O)[C@H]1COc2ccc(Br)cc21)[NH+]1CCOCC1 ZINC000245628503 645463496 /nfs/dbraw/zinc/46/34/96/645463496.db2.gz HAILZZLAZYCMLQ-ZOWXZIJZSA-N 1 2 383.286 2.151 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000246324241 645479087 /nfs/dbraw/zinc/47/90/87/645479087.db2.gz ZGWBDOXBWOBMBU-NWDGAFQWSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C[C@H](C)O ZINC000246324241 645479093 /nfs/dbraw/zinc/47/90/93/645479093.db2.gz ZGWBDOXBWOBMBU-NWDGAFQWSA-N 1 2 381.325 2.459 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000546915925 651014709 /nfs/dbraw/zinc/01/47/09/651014709.db2.gz CEJWTVDIITYXFY-ZDUSSCGKSA-N 1 2 396.285 2.256 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000546915925 651014711 /nfs/dbraw/zinc/01/47/11/651014711.db2.gz CEJWTVDIITYXFY-ZDUSSCGKSA-N 1 2 396.285 2.256 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C)c1ccsc1 ZINC000246584936 645485860 /nfs/dbraw/zinc/48/58/60/645485860.db2.gz BHVPURGVMATEBO-IJEWVQPXSA-N 1 2 387.571 2.348 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000246727752 645490586 /nfs/dbraw/zinc/49/05/86/645490586.db2.gz KVZMXZCBNATAJK-DGCLKSJQSA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000246727752 645490587 /nfs/dbraw/zinc/49/05/87/645490587.db2.gz KVZMXZCBNATAJK-DGCLKSJQSA-N 1 2 384.325 2.488 20 0 GEADLO C[C@H](NC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000247235437 645508994 /nfs/dbraw/zinc/50/89/94/645508994.db2.gz DIXIUNJPTOWIIY-MQIPJXDCSA-N 1 2 390.311 2.435 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](Cc2cccc(OC(F)F)c2)C[C@@H]2CCCO2)C1 ZINC000247582848 645513774 /nfs/dbraw/zinc/51/37/74/645513774.db2.gz LSTICTAFLKXOMU-HOCLYGCPSA-N 1 2 375.437 2.456 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](Cc2cccc(OC(F)F)c2)C[C@@H]2CCCO2)C1 ZINC000247582848 645513787 /nfs/dbraw/zinc/51/37/87/645513787.db2.gz LSTICTAFLKXOMU-HOCLYGCPSA-N 1 2 375.437 2.456 20 0 GEADLO O[C@H](CN1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(F)c(Br)c1 ZINC000248570490 645532654 /nfs/dbraw/zinc/53/26/54/645532654.db2.gz QPYCUZIXVQWOKP-WMLDXEAASA-N 1 2 387.293 2.418 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000248969657 645544251 /nfs/dbraw/zinc/54/42/51/645544251.db2.gz DAPZXORISKZVCD-DZGCQCFKSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000248969657 645544260 /nfs/dbraw/zinc/54/42/60/645544260.db2.gz DAPZXORISKZVCD-DZGCQCFKSA-N 1 2 376.469 2.398 20 0 GEADLO C[C@@H]1CCC[N@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000249842699 645562040 /nfs/dbraw/zinc/56/20/40/645562040.db2.gz YEIAGVVFFIWFBO-CVEARBPZSA-N 1 2 384.567 2.386 20 0 GEADLO C[C@@H]1CCC[N@@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000249842699 645562045 /nfs/dbraw/zinc/56/20/45/645562045.db2.gz YEIAGVVFFIWFBO-CVEARBPZSA-N 1 2 384.567 2.386 20 0 GEADLO CCc1ncc(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)s1 ZINC000264394118 645683743 /nfs/dbraw/zinc/68/37/43/645683743.db2.gz RYMNZJSXWULSKL-UHFFFAOYSA-N 1 2 375.523 2.093 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000264950838 645730247 /nfs/dbraw/zinc/73/02/47/645730247.db2.gz KMTGAVQLBVHHOA-CYBMUJFWSA-N 1 2 388.559 2.416 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000547864110 651048528 /nfs/dbraw/zinc/04/85/28/651048528.db2.gz APULSKPDNCARON-UHFFFAOYSA-N 1 2 381.263 2.254 20 0 GEADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)Cc1csc(Br)c1 ZINC000266693870 645859457 /nfs/dbraw/zinc/85/94/57/645859457.db2.gz FCIXIXZTWJCVTF-ZYHUDNBSSA-N 1 2 388.331 2.055 20 0 GEADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1csc(Br)c1 ZINC000266693870 645859460 /nfs/dbraw/zinc/85/94/60/645859460.db2.gz FCIXIXZTWJCVTF-ZYHUDNBSSA-N 1 2 388.331 2.055 20 0 GEADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000267576542 645909519 /nfs/dbraw/zinc/90/95/19/645909519.db2.gz PQTFPSPAULOUGO-UHFFFAOYSA-N 1 2 383.857 2.418 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000267645363 645911296 /nfs/dbraw/zinc/91/12/96/645911296.db2.gz HWNHSGIINIBSBO-CQSZACIVSA-N 1 2 375.296 2.078 20 0 GEADLO C[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000267677700 645916650 /nfs/dbraw/zinc/91/66/50/645916650.db2.gz MFAYZIOGTAZHTB-JSGCOSHPSA-N 1 2 375.296 2.248 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H]1CSCCS1 ZINC000267872190 645930095 /nfs/dbraw/zinc/93/00/95/645930095.db2.gz QQYADORHYHHDBK-IRXDYDNUSA-N 1 2 381.567 2.035 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H]1CSCCS1 ZINC000267872190 645930099 /nfs/dbraw/zinc/93/00/99/645930099.db2.gz QQYADORHYHHDBK-IRXDYDNUSA-N 1 2 381.567 2.035 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000268017969 645939561 /nfs/dbraw/zinc/93/95/61/645939561.db2.gz AZDUBSVZACCHOQ-GFCCVEGCSA-N 1 2 383.857 2.418 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[S@@](=O)Cc1c[nH+]cn1C ZINC000268158765 645949402 /nfs/dbraw/zinc/94/94/02/645949402.db2.gz MZYGMKPDTVPUBI-MYODQAERSA-N 1 2 398.326 2.478 20 0 GEADLO O=C(c1cncc(I)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270229314 646093941 /nfs/dbraw/zinc/09/39/41/646093941.db2.gz OSCYGJPNCTZBMZ-UHFFFAOYSA-N 1 2 382.205 2.429 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000270791979 646139568 /nfs/dbraw/zinc/13/95/68/646139568.db2.gz CLYGXVKHUPAJHK-NHYWBVRUSA-N 1 2 394.269 2.251 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000270791979 646139572 /nfs/dbraw/zinc/13/95/72/646139572.db2.gz CLYGXVKHUPAJHK-NHYWBVRUSA-N 1 2 394.269 2.251 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)CCn1cc[nH+]c1 ZINC000270937793 646155268 /nfs/dbraw/zinc/15/52/68/646155268.db2.gz RNLIUJYPTMXLTH-OAHLLOKOSA-N 1 2 380.242 2.408 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CSc1cccc(Br)c1 ZINC000271085830 646171848 /nfs/dbraw/zinc/17/18/48/646171848.db2.gz GZHLEOISOUEJDB-ZDUSSCGKSA-N 1 2 398.282 2.165 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CSc1cccc(Br)c1 ZINC000271085830 646171855 /nfs/dbraw/zinc/17/18/55/646171855.db2.gz GZHLEOISOUEJDB-ZDUSSCGKSA-N 1 2 398.282 2.165 20 0 GEADLO COC(=O)CCCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273401279 646315390 /nfs/dbraw/zinc/31/53/90/646315390.db2.gz OZTOXPZSLFDZHO-UHFFFAOYSA-N 1 2 397.273 2.200 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(=O)n1C ZINC000277432418 646419016 /nfs/dbraw/zinc/41/90/16/646419016.db2.gz MMBSFCYJKUBSMY-NHYWBVRUSA-N 1 2 393.285 2.376 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC[C@@H](C)S(=O)(=O)CC3)c[nH+]c12 ZINC000277463224 646425090 /nfs/dbraw/zinc/42/50/90/646425090.db2.gz LLHDOEKDWOCDAV-GFCCVEGCSA-N 1 2 386.315 2.414 20 0 GEADLO OC[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1cccc(Br)c1 ZINC000277738895 646469130 /nfs/dbraw/zinc/46/91/30/646469130.db2.gz IYUIMYWURVDMER-CQSZACIVSA-N 1 2 379.258 2.221 20 0 GEADLO OC[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1cccc(Br)c1 ZINC000277738895 646469135 /nfs/dbraw/zinc/46/91/35/646469135.db2.gz IYUIMYWURVDMER-CQSZACIVSA-N 1 2 379.258 2.221 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000278063197 646488372 /nfs/dbraw/zinc/48/83/72/646488372.db2.gz FPMIJKUDFNHRLJ-OCCSQVGLSA-N 1 2 391.295 2.278 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000278063197 646488376 /nfs/dbraw/zinc/48/83/76/646488376.db2.gz FPMIJKUDFNHRLJ-OCCSQVGLSA-N 1 2 391.295 2.278 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1ccc(Br)s1 ZINC000279311451 646589427 /nfs/dbraw/zinc/58/94/27/646589427.db2.gz XFKAGWRONYNAMH-GFCCVEGCSA-N 1 2 390.347 2.415 20 0 GEADLO C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(Br)cn1 ZINC000279542188 646609381 /nfs/dbraw/zinc/60/93/81/646609381.db2.gz APMCYRQOSHIRBR-AVGNSLFASA-N 1 2 385.306 2.314 20 0 GEADLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000279695963 646623434 /nfs/dbraw/zinc/62/34/34/646623434.db2.gz IDMXNZPXTSDKHP-LLVKDONJSA-N 1 2 385.262 2.245 20 0 GEADLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000279695963 646623437 /nfs/dbraw/zinc/62/34/37/646623437.db2.gz IDMXNZPXTSDKHP-LLVKDONJSA-N 1 2 385.262 2.245 20 0 GEADLO Cc1nn(C)c(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1Br ZINC000279763689 646624628 /nfs/dbraw/zinc/62/46/28/646624628.db2.gz FEYVROZPUNBDJA-WFASDCNBSA-N 1 2 382.306 2.170 20 0 GEADLO Cc1nn(C)c(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1Br ZINC000279763689 646624631 /nfs/dbraw/zinc/62/46/31/646624631.db2.gz FEYVROZPUNBDJA-WFASDCNBSA-N 1 2 382.306 2.170 20 0 GEADLO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C1(S(C)(=O)=O)CCC1 ZINC000279902389 646638492 /nfs/dbraw/zinc/63/84/92/646638492.db2.gz WCHRXTWYVXVTEA-UHFFFAOYSA-N 1 2 382.551 2.450 20 0 GEADLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@]2(CCOC2)O1 ZINC000280585959 646695980 /nfs/dbraw/zinc/69/59/80/646695980.db2.gz TXKUIWXVMWZSAY-KDOFPFPSSA-N 1 2 397.313 2.287 20 0 GEADLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@]2(CCOC2)O1 ZINC000280585959 646695984 /nfs/dbraw/zinc/69/59/84/646695984.db2.gz TXKUIWXVMWZSAY-KDOFPFPSSA-N 1 2 397.313 2.287 20 0 GEADLO Cc1ccc(F)c(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)c1Br ZINC000280755663 646713173 /nfs/dbraw/zinc/71/31/73/646713173.db2.gz NSRIYOOXYVCLDP-SNVBAGLBSA-N 1 2 383.221 2.237 20 0 GEADLO C[C@H]([NH2+]Cc1nccs1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280792533 646717367 /nfs/dbraw/zinc/71/73/67/646717367.db2.gz UCLULXFCUHIYQQ-QMMMGPOBSA-N 1 2 376.301 2.404 20 0 GEADLO CCS(=O)(=O)CC[NH2+]Cc1c(F)ccc(I)c1F ZINC000281037211 646740535 /nfs/dbraw/zinc/74/05/35/646740535.db2.gz YZWYWWYGLSCMOF-UHFFFAOYSA-N 1 2 389.205 2.094 20 0 GEADLO NS(=O)(=O)c1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000281321895 646761184 /nfs/dbraw/zinc/76/11/84/646761184.db2.gz SUFDHQUDDTZDIW-UHFFFAOYSA-N 1 2 380.495 2.029 20 0 GEADLO Cc1nn(C)c(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c1Br ZINC000281333613 646762429 /nfs/dbraw/zinc/76/24/29/646762429.db2.gz SEIFJEQTQLTCJB-UHFFFAOYSA-N 1 2 397.239 2.382 20 0 GEADLO C[C@H]([NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C(=O)N1CCCC1 ZINC000281741764 646794652 /nfs/dbraw/zinc/79/46/52/646794652.db2.gz VNCZBDWMNQNQQY-UWVGGRQHSA-N 1 2 394.324 2.302 20 0 GEADLO C[C@@]12CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]1C2(Br)Br ZINC000285655628 646862261 /nfs/dbraw/zinc/86/22/61/646862261.db2.gz HEDGNCPWNJXIDF-GXSJLCMTSA-N 1 2 377.080 2.238 20 0 GEADLO CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2c[nH+]cn2C)ccc1Cl ZINC000291484336 647178376 /nfs/dbraw/zinc/17/83/76/647178376.db2.gz QMZVSTXGJLGKHV-UHFFFAOYSA-N 1 2 384.889 2.034 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000297956654 647267834 /nfs/dbraw/zinc/26/78/34/647267834.db2.gz WEHODXOAOOHADT-LLVKDONJSA-N 1 2 392.880 2.025 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000297956654 647267836 /nfs/dbraw/zinc/26/78/36/647267836.db2.gz WEHODXOAOOHADT-LLVKDONJSA-N 1 2 392.880 2.025 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000297956657 647267879 /nfs/dbraw/zinc/26/78/79/647267879.db2.gz WEHODXOAOOHADT-NSHDSACASA-N 1 2 392.880 2.025 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000297956657 647267883 /nfs/dbraw/zinc/26/78/83/647267883.db2.gz WEHODXOAOOHADT-NSHDSACASA-N 1 2 392.880 2.025 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000328642222 647312110 /nfs/dbraw/zinc/31/21/10/647312110.db2.gz YGYCGYNSYFATRJ-NHYWBVRUSA-N 1 2 385.873 2.281 20 0 GEADLO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329094900 647317206 /nfs/dbraw/zinc/31/72/06/647317206.db2.gz XTGPYZRDFNVCEV-USXIJHARSA-N 1 2 386.286 2.069 20 0 GEADLO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329094900 647317209 /nfs/dbraw/zinc/31/72/09/647317209.db2.gz XTGPYZRDFNVCEV-USXIJHARSA-N 1 2 386.286 2.069 20 0 GEADLO COc1cc(Br)ccc1C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000330829129 647354256 /nfs/dbraw/zinc/35/42/56/647354256.db2.gz RKUNBXMVYHGGMC-GFCCVEGCSA-N 1 2 391.331 2.219 20 0 GEADLO COc1cc(Br)ccc1C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000330829129 647354261 /nfs/dbraw/zinc/35/42/61/647354261.db2.gz RKUNBXMVYHGGMC-GFCCVEGCSA-N 1 2 391.331 2.219 20 0 GEADLO Cc1cc(C)c(Br)c(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000331238392 647372903 /nfs/dbraw/zinc/37/29/03/647372903.db2.gz LMKPYKAHSXYBSE-ZDUSSCGKSA-N 1 2 398.301 2.374 20 0 GEADLO Cc1cc(C)c(Br)c(C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000331238392 647372907 /nfs/dbraw/zinc/37/29/07/647372907.db2.gz LMKPYKAHSXYBSE-ZDUSSCGKSA-N 1 2 398.301 2.374 20 0 GEADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000332192803 647420426 /nfs/dbraw/zinc/42/04/26/647420426.db2.gz YAEGKOVUCXKMQI-SNVBAGLBSA-N 1 2 380.246 2.002 20 0 GEADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000332192803 647420429 /nfs/dbraw/zinc/42/04/29/647420429.db2.gz YAEGKOVUCXKMQI-SNVBAGLBSA-N 1 2 380.246 2.002 20 0 GEADLO CN(C(=O)c1csc(S(C)(=O)=O)c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000361070113 647559504 /nfs/dbraw/zinc/55/95/04/647559504.db2.gz NALVJHLGVRMTEE-UHFFFAOYSA-N 1 2 379.507 2.288 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000364798597 647643294 /nfs/dbraw/zinc/64/32/94/647643294.db2.gz ZGVHQEQJJONGCA-UHFFFAOYSA-N 1 2 383.495 2.197 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000365110951 647659436 /nfs/dbraw/zinc/65/94/36/647659436.db2.gz NMTNWQAYTLPPFS-KBPBESRZSA-N 1 2 376.881 2.152 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000365110951 647659441 /nfs/dbraw/zinc/65/94/41/647659441.db2.gz NMTNWQAYTLPPFS-KBPBESRZSA-N 1 2 376.881 2.152 20 0 GEADLO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000365115684 647659966 /nfs/dbraw/zinc/65/99/66/647659966.db2.gz GRXKXJASQDHOIR-KRWDZBQOSA-N 1 2 394.357 2.478 20 0 GEADLO C[C@H](CS(C)(=O)=O)NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000365332749 647667808 /nfs/dbraw/zinc/66/78/08/647667808.db2.gz FRERIHUBQKGJEH-INWMFGNUSA-N 1 2 387.933 2.065 20 0 GEADLO C[C@H](CS(C)(=O)=O)NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000365332749 647667809 /nfs/dbraw/zinc/66/78/09/647667809.db2.gz FRERIHUBQKGJEH-INWMFGNUSA-N 1 2 387.933 2.065 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366053817 647692627 /nfs/dbraw/zinc/69/26/27/647692627.db2.gz SRJSIZFTQGDDSD-UKRRQHHQSA-N 1 2 383.286 2.150 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000366104778 647693218 /nfs/dbraw/zinc/69/32/18/647693218.db2.gz RHCIZIGWVVAGEP-MRXNPFEDSA-N 1 2 386.901 2.206 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000366104778 647693221 /nfs/dbraw/zinc/69/32/21/647693221.db2.gz RHCIZIGWVVAGEP-MRXNPFEDSA-N 1 2 386.901 2.206 20 0 GEADLO O=C(COc1cccc(Br)c1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367085213 647718862 /nfs/dbraw/zinc/71/88/62/647718862.db2.gz PGQXYBICYZLPGD-INIZCTEOSA-N 1 2 376.254 2.396 20 0 GEADLO Ic1cnc(CN2CCC[C@@H]2C[NH+]2CCOCC2)s1 ZINC000367307050 647728389 /nfs/dbraw/zinc/72/83/89/647728389.db2.gz DCMMJUGPBGKWSS-LLVKDONJSA-N 1 2 393.294 2.044 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)COc1ccccc1Br ZINC000367637975 647741746 /nfs/dbraw/zinc/74/17/46/647741746.db2.gz NJPWJVXSAGMBCE-UONOGXRCSA-N 1 2 383.286 2.150 20 0 GEADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000368837562 647766672 /nfs/dbraw/zinc/76/66/72/647766672.db2.gz DBLSYSFFZQRTKR-UHFFFAOYSA-N 1 2 396.329 2.051 20 0 GEADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000368837562 647766674 /nfs/dbraw/zinc/76/66/74/647766674.db2.gz DBLSYSFFZQRTKR-UHFFFAOYSA-N 1 2 396.329 2.051 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369037836 647767637 /nfs/dbraw/zinc/76/76/37/647767637.db2.gz ZTTQGBSYBLATOS-ZBEGNZNMSA-N 1 2 382.258 2.351 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369037836 647767639 /nfs/dbraw/zinc/76/76/39/647767639.db2.gz ZTTQGBSYBLATOS-ZBEGNZNMSA-N 1 2 382.258 2.351 20 0 GEADLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1c[nH]c(=O)c(Br)c1 ZINC000372451464 647804457 /nfs/dbraw/zinc/80/44/57/647804457.db2.gz MFEYKWZBNGLHEF-GFCCVEGCSA-N 1 2 377.242 2.344 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1)c1ccc(Br)cc1 ZINC000372616247 647810089 /nfs/dbraw/zinc/81/00/89/647810089.db2.gz FAJBBOPILMOTIP-SJCJKPOMSA-N 1 2 396.285 2.201 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@]2(CNC(=O)O2)C1)c1ccc(Br)cc1 ZINC000372616247 647810093 /nfs/dbraw/zinc/81/00/93/647810093.db2.gz FAJBBOPILMOTIP-SJCJKPOMSA-N 1 2 396.285 2.201 20 0 GEADLO O=C(c1ccccc1I)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374333831 647821604 /nfs/dbraw/zinc/82/16/04/647821604.db2.gz UAUYHWRGMWKBHW-HNNXBMFYSA-N 1 2 393.228 2.473 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccncc1I ZINC000375952823 647837885 /nfs/dbraw/zinc/83/78/85/647837885.db2.gz DKQMPNJDIRBVBB-UHFFFAOYSA-N 1 2 396.232 2.491 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000376423745 647845471 /nfs/dbraw/zinc/84/54/71/647845471.db2.gz DKDUQNCIAWFQLM-MRXNPFEDSA-N 1 2 399.333 2.043 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000376423745 647845476 /nfs/dbraw/zinc/84/54/76/647845476.db2.gz DKDUQNCIAWFQLM-MRXNPFEDSA-N 1 2 399.333 2.043 20 0 GEADLO C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC000376933698 647850476 /nfs/dbraw/zinc/85/04/76/647850476.db2.gz PIYQFIOYAALCFC-XJKSGUPXSA-N 1 2 384.929 2.445 20 0 GEADLO C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC000376933698 647850478 /nfs/dbraw/zinc/85/04/78/647850478.db2.gz PIYQFIOYAALCFC-XJKSGUPXSA-N 1 2 384.929 2.445 20 0 GEADLO Brc1c(C[NH2+]Cc2cccnc2-n2cncn2)nc2ccccn12 ZINC000377645704 647862752 /nfs/dbraw/zinc/86/27/52/647862752.db2.gz GQMNGRNVEMKHMQ-UHFFFAOYSA-N 1 2 384.241 2.362 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000377980904 647874542 /nfs/dbraw/zinc/87/45/42/647874542.db2.gz CKEWOGRNIZVUFO-UHFFFAOYSA-N 1 2 393.241 2.025 20 0 GEADLO C[C@H]1C[N@@H+](C2CCN(S(=O)(=O)c3c(Cl)ccnc3Cl)CC2)CCO1 ZINC000378479450 647881628 /nfs/dbraw/zinc/88/16/28/647881628.db2.gz CKZBJRCXIADUCC-NSHDSACASA-N 1 2 394.324 2.262 20 0 GEADLO C[C@H]1C[N@H+](C2CCN(S(=O)(=O)c3c(Cl)ccnc3Cl)CC2)CCO1 ZINC000378479450 647881635 /nfs/dbraw/zinc/88/16/35/647881635.db2.gz CKZBJRCXIADUCC-NSHDSACASA-N 1 2 394.324 2.262 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)cc1Br ZINC000378702973 647887075 /nfs/dbraw/zinc/88/70/75/647887075.db2.gz GUBYVXWKMYUEOM-UHFFFAOYSA-N 1 2 389.315 2.317 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cc2ccc(Br)cn2n1 ZINC000482189878 647896469 /nfs/dbraw/zinc/89/64/69/647896469.db2.gz ZZJOBTQMXLIKGQ-UHFFFAOYSA-N 1 2 396.289 2.329 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1cc2ccc(Br)cn2n1 ZINC000482189878 647896473 /nfs/dbraw/zinc/89/64/73/647896473.db2.gz ZZJOBTQMXLIKGQ-UHFFFAOYSA-N 1 2 396.289 2.329 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1c(F)cccc1Br ZINC000487245529 647946351 /nfs/dbraw/zinc/94/63/51/647946351.db2.gz FHFAYDRUDDKHFW-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccnc2c(Br)ccc(F)c12 ZINC000409718412 647981288 /nfs/dbraw/zinc/98/12/88/647981288.db2.gz FYPAJTNINXJTBQ-GFCCVEGCSA-N 1 2 398.276 2.266 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1S(C)(=O)=O)c1cccs1 ZINC000413048037 648058653 /nfs/dbraw/zinc/05/86/53/648058653.db2.gz QTLXAPBUYMRJOS-CQSZACIVSA-N 1 2 381.523 2.254 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1ccc(F)cc1Br ZINC000413166723 648061505 /nfs/dbraw/zinc/06/15/05/648061505.db2.gz ULGAUHQXQQVOAN-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC000416538910 648165607 /nfs/dbraw/zinc/16/56/07/648165607.db2.gz XICBGANLKFLLDC-GFCCVEGCSA-N 1 2 387.889 2.008 20 0 GEADLO CN(C(C)(C)C[NH+]1CCOCC1)S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000416653944 648202923 /nfs/dbraw/zinc/20/29/23/648202923.db2.gz VJKMMFMTOWJJMM-UHFFFAOYSA-N 1 2 376.469 2.497 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000416659481 648204647 /nfs/dbraw/zinc/20/46/47/648204647.db2.gz HFDSLDXIJJMVDN-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000416659481 648204659 /nfs/dbraw/zinc/20/46/59/648204659.db2.gz HFDSLDXIJJMVDN-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c(Cl)c1Cl ZINC000416671411 648207701 /nfs/dbraw/zinc/20/77/01/648207701.db2.gz WGNJRJHLVZGMFY-MNOVXSKESA-N 1 2 397.324 2.078 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c(Cl)c1Cl ZINC000416671411 648207707 /nfs/dbraw/zinc/20/77/07/648207707.db2.gz WGNJRJHLVZGMFY-MNOVXSKESA-N 1 2 397.324 2.078 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419208580 648341635 /nfs/dbraw/zinc/34/16/35/648341635.db2.gz RDUJUTGIVHFDTE-LBPRGKRZSA-N 1 2 384.889 2.000 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419208580 648341644 /nfs/dbraw/zinc/34/16/44/648341644.db2.gz RDUJUTGIVHFDTE-LBPRGKRZSA-N 1 2 384.889 2.000 20 0 GEADLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000419343888 648348754 /nfs/dbraw/zinc/34/87/54/648348754.db2.gz GYXIUUZSBWEYSW-CYBMUJFWSA-N 1 2 375.252 2.126 20 0 GEADLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCOc1ccc(Cl)cc1Cl ZINC000419343888 648348759 /nfs/dbraw/zinc/34/87/59/648348759.db2.gz GYXIUUZSBWEYSW-CYBMUJFWSA-N 1 2 375.252 2.126 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000420698239 648438041 /nfs/dbraw/zinc/43/80/41/648438041.db2.gz QBPBUKSFWHDBIQ-JTQLQIEISA-N 1 2 375.372 2.339 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br)C(=O)N(C)C ZINC000420977121 648461252 /nfs/dbraw/zinc/46/12/52/648461252.db2.gz RNVHCRGFHAOPMR-UKRRQHHQSA-N 1 2 396.329 2.049 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Br)C(=O)N(C)C ZINC000420977121 648461254 /nfs/dbraw/zinc/46/12/54/648461254.db2.gz RNVHCRGFHAOPMR-UKRRQHHQSA-N 1 2 396.329 2.049 20 0 GEADLO NC(=O)Cn1cc(C[N@@H+]2CCCC[C@@H]2Cc2cccc(Br)c2)nn1 ZINC000421399884 648490607 /nfs/dbraw/zinc/49/06/07/648490607.db2.gz AZORDQZVVKPXKU-MRXNPFEDSA-N 1 2 392.301 2.123 20 0 GEADLO NC(=O)Cn1cc(C[N@H+]2CCCC[C@@H]2Cc2cccc(Br)c2)nn1 ZINC000421399884 648490610 /nfs/dbraw/zinc/49/06/10/648490610.db2.gz AZORDQZVVKPXKU-MRXNPFEDSA-N 1 2 392.301 2.123 20 0 GEADLO Cc1cc(CNC(=O)CN(C)C(=O)c2ccc(Br)o2)cc(C)[nH+]1 ZINC000421581250 648497534 /nfs/dbraw/zinc/49/75/34/648497534.db2.gz XXSXFFFECJVJMJ-UHFFFAOYSA-N 1 2 380.242 2.442 20 0 GEADLO COc1ncc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1Br ZINC000424672301 648637808 /nfs/dbraw/zinc/63/78/08/648637808.db2.gz YOBANTSPKWEQSN-AWEZNQCLSA-N 1 2 398.301 2.180 20 0 GEADLO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427049016 648721155 /nfs/dbraw/zinc/72/11/55/648721155.db2.gz LBUVDCWBMHLPSP-SNVBAGLBSA-N 1 2 395.232 2.163 20 0 GEADLO Cn1ncc(I)c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000431802994 648771336 /nfs/dbraw/zinc/77/13/36/648771336.db2.gz VHHLIUJASHVQEA-UHFFFAOYSA-N 1 2 393.188 2.463 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc3cc(Br)ccc3n2)CC1 ZINC000431810636 648771760 /nfs/dbraw/zinc/77/17/60/648771760.db2.gz ILKNCUPHBOATEA-UHFFFAOYSA-N 1 2 377.286 2.383 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000443045803 648857250 /nfs/dbraw/zinc/85/72/50/648857250.db2.gz MGDJMRHWJNIFOZ-WBVHZDCISA-N 1 2 381.885 2.467 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000443045803 648857255 /nfs/dbraw/zinc/85/72/55/648857255.db2.gz MGDJMRHWJNIFOZ-WBVHZDCISA-N 1 2 381.885 2.467 20 0 GEADLO COC(=O)CN1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443433250 648876087 /nfs/dbraw/zinc/87/60/87/648876087.db2.gz FNEAIFOPEBQYSM-UHFFFAOYSA-N 1 2 382.233 2.431 20 0 GEADLO COCC1=CC[N@@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000548134224 651065477 /nfs/dbraw/zinc/06/54/77/651065477.db2.gz RZZIOMXZKURSHW-HNNXBMFYSA-N 1 2 379.254 2.360 20 0 GEADLO COCC1=CC[N@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000548134224 651065480 /nfs/dbraw/zinc/06/54/80/651065480.db2.gz RZZIOMXZKURSHW-HNNXBMFYSA-N 1 2 379.254 2.360 20 0 GEADLO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000548351652 651077427 /nfs/dbraw/zinc/07/74/27/651077427.db2.gz ULMNRRIVOBEUHB-MRXNPFEDSA-N 1 2 385.277 2.440 20 0 GEADLO O=C(N[C@@H](CCO)c1ccccc1Br)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548661395 651082645 /nfs/dbraw/zinc/08/26/45/651082645.db2.gz RDNNRLOKHPZELT-WFASDCNBSA-N 1 2 393.285 2.383 20 0 GEADLO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000549883606 651102338 /nfs/dbraw/zinc/10/23/38/651102338.db2.gz FRGNPYYXDRNIJH-GFCCVEGCSA-N 1 2 375.281 2.241 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000550264189 651108181 /nfs/dbraw/zinc/10/81/81/651108181.db2.gz XOQZHFRJVSFEEV-UHFFFAOYSA-N 1 2 384.318 2.356 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000550264189 651108183 /nfs/dbraw/zinc/10/81/83/651108183.db2.gz XOQZHFRJVSFEEV-UHFFFAOYSA-N 1 2 384.318 2.356 20 0 GEADLO CNC(=O)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000551002898 651117119 /nfs/dbraw/zinc/11/71/19/651117119.db2.gz CCONFFPNXZKKJE-UHFFFAOYSA-N 1 2 377.897 2.459 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2ccc(Br)cc2C1 ZINC000551313975 651122160 /nfs/dbraw/zinc/12/21/60/651122160.db2.gz RRQTUGNHZDSNBT-CQSZACIVSA-N 1 2 395.345 2.153 20 0 GEADLO CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC000551390674 651123873 /nfs/dbraw/zinc/12/38/73/651123873.db2.gz GOKXUURORISAHQ-UHFFFAOYSA-N 1 2 383.495 2.111 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc(Br)cs1)C2 ZINC000552148624 651141778 /nfs/dbraw/zinc/14/17/78/651141778.db2.gz WSXOBIUXNVPYKZ-LLVKDONJSA-N 1 2 384.299 2.295 20 0 GEADLO Cc1cc(N2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)nc(C(C)C)[nH+]1 ZINC000553645086 651183933 /nfs/dbraw/zinc/18/39/33/651183933.db2.gz NPCGYAWFDNZPQN-VXGBXAGGSA-N 1 2 380.436 2.167 20 0 GEADLO CC(=O)NCC[N@H+](Cc1ccsc1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000554829167 651214042 /nfs/dbraw/zinc/21/40/42/651214042.db2.gz AKZNTAUZLHCGBG-CQSZACIVSA-N 1 2 377.432 2.240 20 0 GEADLO CC(=O)NCC[N@@H+](Cc1ccsc1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000554829167 651214045 /nfs/dbraw/zinc/21/40/45/651214045.db2.gz AKZNTAUZLHCGBG-CQSZACIVSA-N 1 2 377.432 2.240 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(Br)s1)C2 ZINC000554863035 651214739 /nfs/dbraw/zinc/21/47/39/651214739.db2.gz VOEUGEFELXTAHQ-JTQLQIEISA-N 1 2 384.299 2.295 20 0 GEADLO Brc1cncc([C@H]([NH2+]Cc2nnnn2C2CCOCC2)C2CC2)c1 ZINC000556521900 651245934 /nfs/dbraw/zinc/24/59/34/651245934.db2.gz AQILQEPXTIKBGZ-MRXNPFEDSA-N 1 2 393.289 2.423 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)NCCc1c[nH+]cn1C ZINC000556510366 651245944 /nfs/dbraw/zinc/24/59/44/651245944.db2.gz GLVHMBDYFSSSPC-UHFFFAOYSA-N 1 2 388.287 2.021 20 0 GEADLO Cc1nc(S(=O)(=O)NCC[NH+]2CCCCCC2)sc1Br ZINC000557199463 651266328 /nfs/dbraw/zinc/26/63/28/651266328.db2.gz RWTZSSUNMPVXNM-UHFFFAOYSA-N 1 2 382.349 2.368 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000559232486 651293304 /nfs/dbraw/zinc/29/33/04/651293304.db2.gz NTSGDHZZRDKMNE-CQSZACIVSA-N 1 2 376.320 2.263 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000559232486 651293307 /nfs/dbraw/zinc/29/33/07/651293307.db2.gz NTSGDHZZRDKMNE-CQSZACIVSA-N 1 2 376.320 2.263 20 0 GEADLO CC(C)[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000559794616 651301065 /nfs/dbraw/zinc/30/10/65/651301065.db2.gz FJYJXPSOQOMSST-ZDUSSCGKSA-N 1 2 381.325 2.317 20 0 GEADLO CNc1ccc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)cn1 ZINC000560640185 651313315 /nfs/dbraw/zinc/31/33/15/651313315.db2.gz INCVVHWRIOZSOB-UHFFFAOYSA-N 1 2 388.269 2.814 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000560646395 651313388 /nfs/dbraw/zinc/31/33/88/651313388.db2.gz HOYXHFUTVDAEDR-GFCCVEGCSA-N 1 2 389.279 2.373 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000560646395 651313389 /nfs/dbraw/zinc/31/33/89/651313389.db2.gz HOYXHFUTVDAEDR-GFCCVEGCSA-N 1 2 389.279 2.373 20 0 GEADLO COc1ccc([C@@H]2NC(=O)N(CCc3cn(C)c[nH+]3)C2=O)cc1Br ZINC000642965058 651476483 /nfs/dbraw/zinc/47/64/83/651476483.db2.gz SZRLVQCKPCTGCZ-AWEZNQCLSA-N 1 2 393.241 2.027 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CCO1 ZINC000726712875 651499849 /nfs/dbraw/zinc/49/98/49/651499849.db2.gz PEMBITKKDHVRCZ-UHOFOFEASA-N 1 2 382.302 2.325 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CCO1 ZINC000726712875 651499851 /nfs/dbraw/zinc/49/98/51/651499851.db2.gz PEMBITKKDHVRCZ-UHOFOFEASA-N 1 2 382.302 2.325 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CCO1 ZINC000726712877 651499877 /nfs/dbraw/zinc/49/98/77/651499877.db2.gz PEMBITKKDHVRCZ-WQVCFCJDSA-N 1 2 382.302 2.325 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CCO1 ZINC000726712877 651499880 /nfs/dbraw/zinc/49/98/80/651499880.db2.gz PEMBITKKDHVRCZ-WQVCFCJDSA-N 1 2 382.302 2.325 20 0 GEADLO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)Nc1c[nH+]c2n1CCCC2 ZINC000562747784 651500848 /nfs/dbraw/zinc/50/08/48/651500848.db2.gz NORBTWAKMICUSD-UHFFFAOYSA-N 1 2 382.873 2.180 20 0 GEADLO CN(CC(=O)Nc1ccc2[nH+]ccn2c1)C(=O)c1ccc(Br)o1 ZINC000603884142 651500953 /nfs/dbraw/zinc/50/09/53/651500953.db2.gz SOHNYDGDARMCOT-UHFFFAOYSA-N 1 2 377.198 2.401 20 0 GEADLO CC(C)NC(=O)CNC(=S)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000727273977 651517531 /nfs/dbraw/zinc/51/75/31/651517531.db2.gz PQRBYGOSCOSYFM-CQSZACIVSA-N 1 2 382.961 2.418 20 0 GEADLO CC(C)NC(=O)CNC(=S)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000727273976 651517629 /nfs/dbraw/zinc/51/76/29/651517629.db2.gz PQRBYGOSCOSYFM-AWEZNQCLSA-N 1 2 382.961 2.418 20 0 GEADLO CN(C)C(=O)C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cscn2)c2ccc(Cl)cc21 ZINC000644044285 651518349 /nfs/dbraw/zinc/51/83/49/651518349.db2.gz SIMXGTZEANQESH-QLJPJBMISA-N 1 2 378.885 2.405 20 0 GEADLO COCCS(=O)(=O)CCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000727828504 651529996 /nfs/dbraw/zinc/52/99/96/651529996.db2.gz RHRAZJKHIZJJRJ-HOTGVXAUSA-N 1 2 396.336 2.335 20 0 GEADLO COCCS(=O)(=O)CCC[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000727828504 651530001 /nfs/dbraw/zinc/53/00/01/651530001.db2.gz RHRAZJKHIZJJRJ-HOTGVXAUSA-N 1 2 396.336 2.335 20 0 GEADLO O=C(NCc1n[nH]cc1Br)NCc1ccccc1Cn1cc[nH+]c1 ZINC000563778522 651543512 /nfs/dbraw/zinc/54/35/12/651543512.db2.gz UMRBBTSJNXTYBP-UHFFFAOYSA-N 1 2 389.257 2.416 20 0 GEADLO CCC(=O)N1CSC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000606395895 651552941 /nfs/dbraw/zinc/55/29/41/651552941.db2.gz YVUSWFNSZZYYDJ-MRXNPFEDSA-N 1 2 381.567 2.266 20 0 GEADLO O=C(CCc1ccc(Cl)c(Cl)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000607043140 651564826 /nfs/dbraw/zinc/56/48/26/651564826.db2.gz YCLIFULNUBZFRO-UHFFFAOYSA-N 1 2 382.295 2.362 20 0 GEADLO O=S(=O)(CCc1ccc(Cl)cc1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000644858623 651572845 /nfs/dbraw/zinc/57/28/45/651572845.db2.gz RFOAVDQVCMFAMK-QZTJIDSGSA-N 1 2 386.945 2.445 20 0 GEADLO C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ncc(Br)cn1 ZINC000644904852 651576776 /nfs/dbraw/zinc/57/67/76/651576776.db2.gz UDSKJNNTEBPIHA-WCQYABFASA-N 1 2 391.273 2.273 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3cc(Cl)cc(Br)c3O)C[C@H]2[NH3+])cn1 ZINC000566208644 651603048 /nfs/dbraw/zinc/60/30/48/651603048.db2.gz KIARPAFHRVBFSZ-WCQYABFASA-N 1 2 399.676 2.109 20 0 GEADLO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000566223541 651604093 /nfs/dbraw/zinc/60/40/93/651604093.db2.gz PCQNYXPCMMCFKG-VIFPVBQESA-N 1 2 376.759 2.169 20 0 GEADLO Cn1c[nH+]cc1[C@H]1C[C@@H](NS(=O)(=O)CCc2ccc(Cl)cc2)CCO1 ZINC000566791341 651613091 /nfs/dbraw/zinc/61/30/91/651613091.db2.gz YOMUISHRTPLTQR-DOTOQJQBSA-N 1 2 383.901 2.456 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)SCCOCC(F)(F)C(F)(F)F)CC1 ZINC000566818763 651614877 /nfs/dbraw/zinc/61/48/77/651614877.db2.gz DWBAPBQIPCLARW-LLVKDONJSA-N 1 2 378.407 2.486 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)SCCOCC(F)(F)C(F)(F)F)CC1 ZINC000566818764 651614923 /nfs/dbraw/zinc/61/49/23/651614923.db2.gz DWBAPBQIPCLARW-NSHDSACASA-N 1 2 378.407 2.486 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=S)NCCc2ccc(Cl)cc2Cl)C1 ZINC000731947656 651639559 /nfs/dbraw/zinc/63/95/59/651639559.db2.gz IEMPBTRRMHPWDU-CQSZACIVSA-N 1 2 375.369 2.246 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=S)NCCc2ccc(Cl)cc2Cl)C1 ZINC000731947656 651639564 /nfs/dbraw/zinc/63/95/64/651639564.db2.gz IEMPBTRRMHPWDU-CQSZACIVSA-N 1 2 375.369 2.246 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)c1 ZINC000645753027 651647511 /nfs/dbraw/zinc/64/75/11/651647511.db2.gz OFFPLWLEOYKHCA-UHFFFAOYSA-N 1 2 383.779 2.493 20 0 GEADLO CCn1cnn(CN2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c1=S ZINC000732672073 651670985 /nfs/dbraw/zinc/67/09/85/651670985.db2.gz COYJCDOXJYWLDH-INIZCTEOSA-N 1 2 381.933 2.396 20 0 GEADLO CN(C(=O)[C@@H]1CSCN1C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC1 ZINC000569234832 651703424 /nfs/dbraw/zinc/70/34/24/651703424.db2.gz LYWXPDRVSBEKKU-JKSUJKDBSA-N 1 2 381.929 2.465 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)S(=O)(=O)c2sccc2Cl)cn1 ZINC000569247913 651704612 /nfs/dbraw/zinc/70/46/12/651704612.db2.gz DTSWXILXRVOQMB-UHFFFAOYSA-N 1 2 385.902 2.223 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c(Br)c1 ZINC000569741737 651721638 /nfs/dbraw/zinc/72/16/38/651721638.db2.gz SUYWHQLFPFBGSD-AWEZNQCLSA-N 1 2 391.331 2.314 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c(Br)c1 ZINC000569741737 651721643 /nfs/dbraw/zinc/72/16/43/651721643.db2.gz SUYWHQLFPFBGSD-AWEZNQCLSA-N 1 2 391.331 2.314 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(Br)c1 ZINC000569741738 651721724 /nfs/dbraw/zinc/72/17/24/651721724.db2.gz SUYWHQLFPFBGSD-CQSZACIVSA-N 1 2 391.331 2.314 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(Br)c1 ZINC000569741738 651721727 /nfs/dbraw/zinc/72/17/27/651721727.db2.gz SUYWHQLFPFBGSD-CQSZACIVSA-N 1 2 391.331 2.314 20 0 GEADLO CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc3[nH+]ccn3c2)ccc1Cl ZINC000733872455 651726480 /nfs/dbraw/zinc/72/64/80/651726480.db2.gz QXEFBPBAHNBMSW-UHFFFAOYSA-N 1 2 378.841 2.490 20 0 GEADLO O=C1C[C@@H]([N@H+]2CC=CCC2)C(=O)N1c1ccc(I)cc1 ZINC000611508426 651727381 /nfs/dbraw/zinc/72/73/81/651727381.db2.gz MOYQXVIEDXXHRM-CYBMUJFWSA-N 1 2 382.201 2.185 20 0 GEADLO O=C1C[C@@H]([N@@H+]2CC=CCC2)C(=O)N1c1ccc(I)cc1 ZINC000611508426 651727386 /nfs/dbraw/zinc/72/73/86/651727386.db2.gz MOYQXVIEDXXHRM-CYBMUJFWSA-N 1 2 382.201 2.185 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@](C)(F)C2)c(F)cc1Br ZINC000647312310 651743476 /nfs/dbraw/zinc/74/34/76/651743476.db2.gz FHAGCHWSPZJIEP-ZDUSSCGKSA-N 1 2 383.258 2.219 20 0 GEADLO O=C(c1ccc(I)c(O)c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000612824284 651771850 /nfs/dbraw/zinc/77/18/50/651771850.db2.gz SBDVFOVQRPIPPG-UHFFFAOYSA-N 1 2 396.184 2.295 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1c2ccc(Br)cc2nn1C ZINC000648374930 651785047 /nfs/dbraw/zinc/78/50/47/651785047.db2.gz JYTYFDFMBUHXHD-GFCCVEGCSA-N 1 2 395.301 2.129 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)Cc1cn[nH]c1 ZINC000648374192 651785063 /nfs/dbraw/zinc/78/50/63/651785063.db2.gz AFMPCGPIWAFBTE-NSHDSACASA-N 1 2 381.274 2.318 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000648374192 651785065 /nfs/dbraw/zinc/78/50/65/651785065.db2.gz AFMPCGPIWAFBTE-NSHDSACASA-N 1 2 381.274 2.318 20 0 GEADLO O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000570747480 651788965 /nfs/dbraw/zinc/78/89/65/651788965.db2.gz FPOYCDWNQRMULE-OAHLLOKOSA-N 1 2 379.913 2.300 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735760392 651795345 /nfs/dbraw/zinc/79/53/45/651795345.db2.gz WJANHAJEPMCBMK-XHDPSFHLSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735760392 651795351 /nfs/dbraw/zinc/79/53/51/651795351.db2.gz WJANHAJEPMCBMK-XHDPSFHLSA-N 1 2 376.284 2.047 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000648771169 651801019 /nfs/dbraw/zinc/80/10/19/651801019.db2.gz GHTNMIZZVPHDJR-WDEREUQCSA-N 1 2 389.265 2.436 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000613992799 651806985 /nfs/dbraw/zinc/80/69/85/651806985.db2.gz AEMIUMGMCJCKLT-FVQBIDKESA-N 1 2 392.297 2.254 20 0 GEADLO [NH3+][C@H](C(=O)N1CCN(CCOc2ccccc2Cl)CC1)c1cscn1 ZINC000571401175 651831038 /nfs/dbraw/zinc/83/10/38/651831038.db2.gz RZXZIXRCSTXUID-INIZCTEOSA-N 1 2 380.901 2.020 20 0 GEADLO Cn1ncc(Br)c1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614669150 651831607 /nfs/dbraw/zinc/83/16/07/651831607.db2.gz LMCDGGHJXBEQIB-UHFFFAOYSA-N 1 2 398.330 2.417 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1nn(C(C)(C)C)cc1Br ZINC000614718186 651834412 /nfs/dbraw/zinc/83/44/12/651834412.db2.gz QIEKFKIVJFKWNB-CHWSQXEVSA-N 1 2 399.333 2.336 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1ncc(I)s1 ZINC000571567036 651840550 /nfs/dbraw/zinc/84/05/50/651840550.db2.gz CRMISFFITOHUFH-UHFFFAOYSA-N 1 2 395.310 2.290 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)Cc1ncc(I)s1 ZINC000571567036 651840553 /nfs/dbraw/zinc/84/05/53/651840553.db2.gz CRMISFFITOHUFH-UHFFFAOYSA-N 1 2 395.310 2.290 20 0 GEADLO Cc1cc(Br)cn2cc(CCN3C(=O)N[C@H](CCF)C3=O)[nH+]c12 ZINC000650264456 651852449 /nfs/dbraw/zinc/85/24/49/651852449.db2.gz IOIXFSNXRAQAGK-GFCCVEGCSA-N 1 2 383.221 2.228 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000615202489 651855750 /nfs/dbraw/zinc/85/57/50/651855750.db2.gz DWHPCTKYABFSEV-GYSYKLTISA-N 1 2 382.233 2.275 20 0 GEADLO [NH3+][C@H](C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)c1cscn1 ZINC000571915503 651861431 /nfs/dbraw/zinc/86/14/31/651861431.db2.gz IIAKCZDYTABINF-YGRLFVJLSA-N 1 2 379.873 2.069 20 0 GEADLO Cc1cc(CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)ccc1Br ZINC000572099545 651872822 /nfs/dbraw/zinc/87/28/22/651872822.db2.gz IHAODRQBOVGSRJ-UHFFFAOYSA-N 1 2 390.285 2.438 20 0 GEADLO Cc1cc(CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)ccc1Br ZINC000572099545 651872823 /nfs/dbraw/zinc/87/28/23/651872823.db2.gz IHAODRQBOVGSRJ-UHFFFAOYSA-N 1 2 390.285 2.438 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000651222845 651876554 /nfs/dbraw/zinc/87/65/54/651876554.db2.gz MEXBQSOLQCVIAV-TZMCWYRMSA-N 1 2 383.286 2.152 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000651222845 651876558 /nfs/dbraw/zinc/87/65/58/651876558.db2.gz MEXBQSOLQCVIAV-TZMCWYRMSA-N 1 2 383.286 2.152 20 0 GEADLO COCCC[N@@H+](Cc1ccncc1)Cn1cc(I)cn1 ZINC000738046872 651877539 /nfs/dbraw/zinc/87/75/39/651877539.db2.gz YBACECNVHUJPHB-UHFFFAOYSA-N 1 2 386.237 2.379 20 0 GEADLO COCCC[N@H+](Cc1ccncc1)Cn1cc(I)cn1 ZINC000738046872 651877544 /nfs/dbraw/zinc/87/75/44/651877544.db2.gz YBACECNVHUJPHB-UHFFFAOYSA-N 1 2 386.237 2.379 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651279970 651879037 /nfs/dbraw/zinc/87/90/37/651879037.db2.gz YGBKONLTSLSWOL-ZFWWWQNUSA-N 1 2 396.329 2.067 20 0 GEADLO C[C@@H]1C[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)[C@@H](C)[C@H]1C ZINC000572264946 651882076 /nfs/dbraw/zinc/88/20/76/651882076.db2.gz KQOXYOZZBABNGC-FXUDXRNXSA-N 1 2 384.567 2.240 20 0 GEADLO C[C@@H]1C[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)[C@@H](C)[C@H]1C ZINC000572264946 651882077 /nfs/dbraw/zinc/88/20/77/651882077.db2.gz KQOXYOZZBABNGC-FXUDXRNXSA-N 1 2 384.567 2.240 20 0 GEADLO O=S(=O)(c1cnc2ccsc2c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000572302992 651884220 /nfs/dbraw/zinc/88/42/20/651884220.db2.gz VRUKWPVWKKKEIM-CQSZACIVSA-N 1 2 381.523 2.172 20 0 GEADLO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000651634059 651891339 /nfs/dbraw/zinc/89/13/39/651891339.db2.gz MXMJDGLJMOYQSZ-NWDGAFQWSA-N 1 2 399.365 2.416 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)C(C)(C)C1 ZINC000651900952 651899662 /nfs/dbraw/zinc/89/96/62/651899662.db2.gz QNVKLYBJBNQTCJ-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)C(C)(C)C1 ZINC000651900952 651899669 /nfs/dbraw/zinc/89/96/69/651899669.db2.gz QNVKLYBJBNQTCJ-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO C[C@](CO)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000616829130 651911548 /nfs/dbraw/zinc/91/15/48/651911548.db2.gz JVVJONDNEFDKHM-YVEFUNNKSA-N 1 2 378.270 2.232 20 0 GEADLO C[C@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)c2ccsc2S1(=O)=O ZINC000652257753 651912793 /nfs/dbraw/zinc/91/27/93/651912793.db2.gz BDIAQUKQSROGTC-FZMZJTMJSA-N 1 2 379.507 2.247 20 0 GEADLO C[C@@](CO)(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000616832640 651913731 /nfs/dbraw/zinc/91/37/31/651913731.db2.gz VLTBMYGSLMRKQR-PXAZEXFGSA-N 1 2 378.270 2.232 20 0 GEADLO C[C@@](CO)(NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000616832641 651913931 /nfs/dbraw/zinc/91/39/31/651913931.db2.gz VLTBMYGSLMRKQR-SJCJKPOMSA-N 1 2 378.270 2.232 20 0 GEADLO C[C@](CO)(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000616832642 651914039 /nfs/dbraw/zinc/91/40/39/651914039.db2.gz VLTBMYGSLMRKQR-SJKOYZFVSA-N 1 2 378.270 2.232 20 0 GEADLO CC1(C2CC2)CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000573047669 651931275 /nfs/dbraw/zinc/93/12/75/651931275.db2.gz WXJQEOPUGGEMTE-UHFFFAOYSA-N 1 2 385.917 2.438 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000652998071 651931288 /nfs/dbraw/zinc/93/12/88/651931288.db2.gz YLBHSOJLWLBZEW-OAHLLOKOSA-N 1 2 399.329 2.360 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2c(C)cccc2Br)CC1 ZINC000652997505 651931388 /nfs/dbraw/zinc/93/13/88/651931388.db2.gz BMESECKTGAFZMT-UHFFFAOYSA-N 1 2 385.302 2.178 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Cc2cc(Br)ccc2C)CC1 ZINC000652997919 651931448 /nfs/dbraw/zinc/93/14/48/651931448.db2.gz SCRSEPJWDWHGFF-UHFFFAOYSA-N 1 2 399.329 2.107 20 0 GEADLO CC[C@H](C[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)OC ZINC000573096183 651934138 /nfs/dbraw/zinc/93/41/38/651934138.db2.gz GNWFVKXDAHDPDL-CQSZACIVSA-N 1 2 391.331 2.180 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)s1 ZINC000617466943 651952386 /nfs/dbraw/zinc/95/23/86/651952386.db2.gz TZBJRLBNWLFXHS-CYBMUJFWSA-N 1 2 385.555 2.194 20 0 GEADLO CO[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1ccccc1Br ZINC000653823323 651956738 /nfs/dbraw/zinc/95/67/38/651956738.db2.gz BSAPGKRUNHHCQY-CPUCHLNUSA-N 1 2 397.313 2.458 20 0 GEADLO CO[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1ccccc1Br ZINC000653823325 651956815 /nfs/dbraw/zinc/95/68/15/651956815.db2.gz BSAPGKRUNHHCQY-KEYYUXOJSA-N 1 2 397.313 2.458 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2c3ccc(Br)cc3nn2C)[C@@H](C)CO1 ZINC000617721396 651966421 /nfs/dbraw/zinc/96/64/21/651966421.db2.gz OVVGYHPJYQCLAI-RYUDHWBXSA-N 1 2 395.301 2.175 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2c3ccc(Br)cc3nn2C)[C@@H](C)CO1 ZINC000617721396 651966427 /nfs/dbraw/zinc/96/64/27/651966427.db2.gz OVVGYHPJYQCLAI-RYUDHWBXSA-N 1 2 395.301 2.175 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617721211 651966448 /nfs/dbraw/zinc/96/64/48/651966448.db2.gz MOZZNMIINGOBNS-MNOVXSKESA-N 1 2 389.265 2.436 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617721211 651966452 /nfs/dbraw/zinc/96/64/52/651966452.db2.gz MOZZNMIINGOBNS-MNOVXSKESA-N 1 2 389.265 2.436 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cc(N(C)C)c2)[C@@H](C)CO1 ZINC000617722769 651966878 /nfs/dbraw/zinc/96/68/78/651966878.db2.gz DQYMHYMLEYJKCD-QWHCGFSZSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc(N(C)C)c2)[C@@H](C)CO1 ZINC000617722769 651966887 /nfs/dbraw/zinc/96/68/87/651966887.db2.gz DQYMHYMLEYJKCD-QWHCGFSZSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)[C@H](C)CO1 ZINC000617724349 651967036 /nfs/dbraw/zinc/96/70/36/651967036.db2.gz YRUHIDFKYYRDCZ-GHMZBOCLSA-N 1 2 391.256 2.495 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)[C@H](C)CO1 ZINC000617724349 651967044 /nfs/dbraw/zinc/96/70/44/651967044.db2.gz YRUHIDFKYYRDCZ-GHMZBOCLSA-N 1 2 391.256 2.495 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617723989 651967369 /nfs/dbraw/zinc/96/73/69/651967369.db2.gz UKMNMZJBFNKBTR-NXEZZACHSA-N 1 2 382.814 2.089 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617723989 651967376 /nfs/dbraw/zinc/96/73/76/651967376.db2.gz UKMNMZJBFNKBTR-NXEZZACHSA-N 1 2 382.814 2.089 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617723681 651967442 /nfs/dbraw/zinc/96/74/42/651967442.db2.gz PWZLTHVJTPDFNS-IHRRRGAJSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617723681 651967449 /nfs/dbraw/zinc/96/74/49/651967449.db2.gz PWZLTHVJTPDFNS-IHRRRGAJSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cnc3ncc(Br)cc3c2)[C@@H](C)CO1 ZINC000617725552 651968265 /nfs/dbraw/zinc/96/82/65/651968265.db2.gz LTAJEAXNNAQSEK-NWDGAFQWSA-N 1 2 393.285 2.231 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cnc3ncc(Br)cc3c2)[C@@H](C)CO1 ZINC000617725552 651968268 /nfs/dbraw/zinc/96/82/68/651968268.db2.gz LTAJEAXNNAQSEK-NWDGAFQWSA-N 1 2 393.285 2.231 20 0 GEADLO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+][C@H](Cc1ccccc1)C(F)F ZINC000574184622 652006643 /nfs/dbraw/zinc/00/66/43/652006643.db2.gz MNFVVFJIKSTCAE-JKSUJKDBSA-N 1 2 375.485 2.113 20 0 GEADLO CC(C)(C)c1cnc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)s1 ZINC000743219692 652014264 /nfs/dbraw/zinc/01/42/64/652014264.db2.gz AMLMOFSXXDZABW-UHFFFAOYSA-N 1 2 388.559 2.071 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000574518868 652027307 /nfs/dbraw/zinc/02/73/07/652027307.db2.gz VHWDHWXXYNQQME-GFCCVEGCSA-N 1 2 385.686 2.425 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000574534105 652028947 /nfs/dbraw/zinc/02/89/47/652028947.db2.gz YNAJQYJQKSHHGT-UHFFFAOYSA-N 1 2 395.244 2.415 20 0 GEADLO C[C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2Br)C(=O)N1c1cnn(C)c1 ZINC000656503777 652029459 /nfs/dbraw/zinc/02/94/59/652029459.db2.gz ADTGSNXXLQOGOG-GXFFZTMASA-N 1 2 379.258 2.172 20 0 GEADLO CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)nc1C ZINC000574657786 652034953 /nfs/dbraw/zinc/03/49/53/652034953.db2.gz YUUGHKXSFQPANO-UHFFFAOYSA-N 1 2 383.495 2.491 20 0 GEADLO Cc1c(S(=O)(=O)NCCc2cn(C)c[nH+]2)cnn1-c1ccc(Cl)cc1 ZINC000574784429 652043477 /nfs/dbraw/zinc/04/34/77/652043477.db2.gz GPAWTJHDAJNOBV-UHFFFAOYSA-N 1 2 379.873 2.089 20 0 GEADLO CC(C)[C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC[N@@H+]1C ZINC000575109600 652062987 /nfs/dbraw/zinc/06/29/87/652062987.db2.gz JWIMPJQKTSPRLA-OAHLLOKOSA-N 1 2 385.917 2.185 20 0 GEADLO CC(C)[C@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC[N@H+]1C ZINC000575109600 652062995 /nfs/dbraw/zinc/06/29/95/652062995.db2.gz JWIMPJQKTSPRLA-OAHLLOKOSA-N 1 2 385.917 2.185 20 0 GEADLO C[C@H](Oc1ccc(I)cc1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000619613288 652069034 /nfs/dbraw/zinc/06/90/34/652069034.db2.gz PPGNPTUBJLLREF-NSHDSACASA-N 1 2 397.216 2.339 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)c(Cl)c1 ZINC000575831190 652080567 /nfs/dbraw/zinc/08/05/67/652080567.db2.gz ILQYTSSJSJXESE-NHYWBVRUSA-N 1 2 385.873 2.281 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H](C[C@H]3COCCO3)C(F)(F)F)sc2C1 ZINC000621277199 652141317 /nfs/dbraw/zinc/14/13/17/652141317.db2.gz CPHVXORCUXLING-VHSXEESVSA-N 1 2 379.404 2.054 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)[C@@H](C[C@H]3COCCO3)C(F)(F)F)sc2C1 ZINC000621277199 652141329 /nfs/dbraw/zinc/14/13/29/652141329.db2.gz CPHVXORCUXLING-VHSXEESVSA-N 1 2 379.404 2.054 20 0 GEADLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1CO ZINC000621361288 652152020 /nfs/dbraw/zinc/15/20/20/652152020.db2.gz WWYZUGBZODGACF-QWHCGFSZSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1CO ZINC000621361288 652152026 /nfs/dbraw/zinc/15/20/26/652152026.db2.gz WWYZUGBZODGACF-QWHCGFSZSA-N 1 2 376.316 2.173 20 0 GEADLO Cn1cnc(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1Cl ZINC000747283610 652155413 /nfs/dbraw/zinc/15/54/13/652155413.db2.gz KCTBSWMJEYNZHQ-LBPRGKRZSA-N 1 2 377.297 2.308 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)/C=C\c2ccccc2Cl)CC1 ZINC000747282885 652155664 /nfs/dbraw/zinc/15/56/64/652155664.db2.gz RIQYGWGDVQFLTJ-VDBIKXPHSA-N 1 2 386.901 2.210 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)/C=C\c2ccccc2Cl)CC1 ZINC000747282887 652155750 /nfs/dbraw/zinc/15/57/50/652155750.db2.gz RIQYGWGDVQFLTJ-YRBHFNIASA-N 1 2 386.901 2.210 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CC[C@H](CS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000577256248 652173453 /nfs/dbraw/zinc/17/34/53/652173453.db2.gz NZYQGDSPLNITEC-XJKSGUPXSA-N 1 2 387.933 2.019 20 0 GEADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000747784975 652178522 /nfs/dbraw/zinc/17/85/22/652178522.db2.gz XFDJOVMLPJIFNX-GFCCVEGCSA-N 1 2 378.226 2.279 20 0 GEADLO CCCOc1ccc(Br)cc1C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000657603452 652178636 /nfs/dbraw/zinc/17/86/36/652178636.db2.gz MQOQPDAWZQMIPJ-ZFWWWQNUSA-N 1 2 392.315 2.140 20 0 GEADLO CCn1cc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)nn1 ZINC000657624615 652181502 /nfs/dbraw/zinc/18/15/02/652181502.db2.gz KYRAEILJHSYHJI-UHFFFAOYSA-N 1 2 380.290 2.187 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2SC)CC1 ZINC000657704136 652193989 /nfs/dbraw/zinc/19/39/89/652193989.db2.gz RECLFHVZBAXXLF-UHFFFAOYSA-N 1 2 385.917 2.181 20 0 GEADLO COc1ccc(Br)c2[nH]c(C(=O)N[C@@H]3Cc4c[nH+]cn4C3)cc21 ZINC000623275208 652229823 /nfs/dbraw/zinc/22/98/23/652229823.db2.gz CKYFPLKQPJPXCH-SECBINFHSA-N 1 2 375.226 2.490 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000623272095 652229998 /nfs/dbraw/zinc/22/99/98/652229998.db2.gz OXRQQZCJTLJUMY-DGCLKSJQSA-N 1 2 379.247 2.284 20 0 GEADLO COCc1n[nH]c(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)n1 ZINC000658159082 652240489 /nfs/dbraw/zinc/24/04/89/652240489.db2.gz NHMHOOKPEIEAFI-SNVBAGLBSA-N 1 2 382.262 2.221 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N(CCO)Cc1cc(Br)cs1 ZINC000578297566 652260579 /nfs/dbraw/zinc/26/05/79/652260579.db2.gz OVNYEBSKMKEXJI-LBPRGKRZSA-N 1 2 399.314 2.226 20 0 GEADLO O=S(=O)(C1CCC(C(F)(F)F)CC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000578448126 652273987 /nfs/dbraw/zinc/27/39/87/652273987.db2.gz JAAFIUHSMUJKIV-NFOMZHRRSA-N 1 2 384.464 2.091 20 0 GEADLO CCn1c(CNC(=O)Cc2c[nH+]cn2C)nc2cc(Br)ccc21 ZINC000579025858 652312564 /nfs/dbraw/zinc/31/25/64/652312564.db2.gz MEXSIIGBWRMSDQ-UHFFFAOYSA-N 1 2 376.258 2.411 20 0 GEADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccncc2Br)CC1 ZINC000625046357 652320023 /nfs/dbraw/zinc/32/00/23/652320023.db2.gz IZLBFUDITJOWAS-OAHLLOKOSA-N 1 2 395.345 2.363 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000751417200 652346367 /nfs/dbraw/zinc/34/63/67/652346367.db2.gz HISWVQMORVZWGN-HNNXBMFYSA-N 1 2 379.309 2.071 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000751419177 652346644 /nfs/dbraw/zinc/34/66/44/652346644.db2.gz SEVGBTUPNKUMGC-CQSZACIVSA-N 1 2 379.309 2.071 20 0 GEADLO NC(=O)[C@@H](OC(=O)CCc1ccc(N)[nH+]c1)c1cccc(Br)c1 ZINC000751441692 652350842 /nfs/dbraw/zinc/35/08/42/652350842.db2.gz GJOMMAFFCWVVHG-HNNXBMFYSA-N 1 2 378.226 2.129 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CCC([NH+]2CCOCC2)CC1 ZINC000625607863 652361086 /nfs/dbraw/zinc/36/10/86/652361086.db2.gz XPBPZNHHBFHGKY-UHFFFAOYSA-N 1 2 379.309 2.479 20 0 GEADLO COC(=O)CN(Cc1cccc(Br)c1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000579977116 652362247 /nfs/dbraw/zinc/36/22/47/652362247.db2.gz YBNPENIDBBCEBV-UHFFFAOYSA-N 1 2 383.286 2.293 20 0 GEADLO COc1ccc(C[N@H+](CCO[C@@H]2CC2(F)F)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000659818982 652366782 /nfs/dbraw/zinc/36/67/82/652366782.db2.gz AZMOHUQFUZJXAL-GOEBONIOSA-N 1 2 375.437 2.109 20 0 GEADLO COc1ccc(C[N@@H+](CCO[C@@H]2CC2(F)F)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000659818982 652366785 /nfs/dbraw/zinc/36/67/85/652366785.db2.gz AZMOHUQFUZJXAL-GOEBONIOSA-N 1 2 375.437 2.109 20 0 GEADLO Cc1ccc(Br)c(CNC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000580310591 652375399 /nfs/dbraw/zinc/37/53/99/652375399.db2.gz KBUUNLKZKCQNBU-UHFFFAOYSA-N 1 2 393.285 2.167 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000580364979 652378009 /nfs/dbraw/zinc/37/80/09/652378009.db2.gz HJSCAQWHXHHMKX-UHFFFAOYSA-N 1 2 393.270 3.023 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000626026922 652379929 /nfs/dbraw/zinc/37/99/29/652379929.db2.gz DILZPGKODXBUFC-LBPRGKRZSA-N 1 2 380.794 2.124 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000626169679 652383409 /nfs/dbraw/zinc/38/34/09/652383409.db2.gz QEGPPQSRLTWLMB-KBPBESRZSA-N 1 2 387.933 2.237 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000626169679 652383412 /nfs/dbraw/zinc/38/34/12/652383412.db2.gz QEGPPQSRLTWLMB-KBPBESRZSA-N 1 2 387.933 2.237 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000626169680 652383757 /nfs/dbraw/zinc/38/37/57/652383757.db2.gz QEGPPQSRLTWLMB-KGLIPLIRSA-N 1 2 387.933 2.237 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000626169680 652383758 /nfs/dbraw/zinc/38/37/58/652383758.db2.gz QEGPPQSRLTWLMB-KGLIPLIRSA-N 1 2 387.933 2.237 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000626169838 652383899 /nfs/dbraw/zinc/38/38/99/652383899.db2.gz SWNAAMJALBABRN-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000626169838 652383902 /nfs/dbraw/zinc/38/39/02/652383902.db2.gz SWNAAMJALBABRN-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO CCSc1ccc(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)c(Br)c1 ZINC000626225556 652386296 /nfs/dbraw/zinc/38/62/96/652386296.db2.gz AQMVYUREVZDPQC-CQSZACIVSA-N 1 2 398.370 2.220 20 0 GEADLO C[C@H]([NH2+]CC(=O)Nc1cnccn1)c1cc2c(cc1Br)OCCO2 ZINC000660186508 652394244 /nfs/dbraw/zinc/39/42/44/652394244.db2.gz BLXHUGSFRBCKSV-JTQLQIEISA-N 1 2 393.241 2.300 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000752866139 652395033 /nfs/dbraw/zinc/39/50/33/652395033.db2.gz OHOBMMRCUUWCPV-HSMVNMDESA-N 1 2 390.311 2.435 20 0 GEADLO COC[C@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000660197580 652395596 /nfs/dbraw/zinc/39/55/96/652395596.db2.gz QWTAWHZPZKLTLS-ZDUSSCGKSA-N 1 2 378.372 2.423 20 0 GEADLO CC(C)(CNC(=O)N[C@@H](CO)c1cccc(Cl)c1Cl)[NH+]1CCOCC1 ZINC000660214581 652396026 /nfs/dbraw/zinc/39/60/26/652396026.db2.gz FFKBSRCEVMYMKO-AWEZNQCLSA-N 1 2 390.311 2.437 20 0 GEADLO O=C(NCc1cc(Br)ccc1F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660334558 652398805 /nfs/dbraw/zinc/39/88/05/652398805.db2.gz YAWJIZPXGUDELK-AWEZNQCLSA-N 1 2 386.265 2.204 20 0 GEADLO COCCO[C@H]1CC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660370139 652399980 /nfs/dbraw/zinc/39/99/80/652399980.db2.gz BSHGRUMLKYWWBU-LBPRGKRZSA-N 1 2 382.258 2.245 20 0 GEADLO COCCO[C@H]1CC[N@@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660370139 652399984 /nfs/dbraw/zinc/39/99/84/652399984.db2.gz BSHGRUMLKYWWBU-LBPRGKRZSA-N 1 2 382.258 2.245 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000581063721 652400012 /nfs/dbraw/zinc/40/00/12/652400012.db2.gz OPXDEENPAGBFAZ-UHFFFAOYSA-N 1 2 390.241 2.032 20 0 GEADLO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCN(c2ncns2)CC1 ZINC000660710904 652411520 /nfs/dbraw/zinc/41/15/20/652411520.db2.gz DESRCUNKIFGBNN-LBPRGKRZSA-N 1 2 389.308 2.407 20 0 GEADLO C[C@H](Cc1ccccc1Br)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660892383 652413592 /nfs/dbraw/zinc/41/35/92/652413592.db2.gz IVBRZEYXBRRUDK-ZBFHGGJFSA-N 1 2 396.329 2.496 20 0 GEADLO NC(=O)[C@H]1CC[C@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000581616035 652418844 /nfs/dbraw/zinc/41/88/44/652418844.db2.gz AMKPPNWZBAAFQX-UONOGXRCSA-N 1 2 384.307 2.192 20 0 GEADLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1c(Cl)nc2sccn21 ZINC000753847057 652418753 /nfs/dbraw/zinc/41/87/53/652418753.db2.gz WRWFPVCARPPBLN-SNVBAGLBSA-N 1 2 383.886 2.001 20 0 GEADLO C[C@@H]1COCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753984946 652422082 /nfs/dbraw/zinc/42/20/82/652422082.db2.gz GYDHMHTZKZKRLU-SJCJKPOMSA-N 1 2 396.285 2.142 20 0 GEADLO C[C@@H]1COCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753984946 652422084 /nfs/dbraw/zinc/42/20/84/652422084.db2.gz GYDHMHTZKZKRLU-SJCJKPOMSA-N 1 2 396.285 2.142 20 0 GEADLO CC1(C)NC(=O)N(CC[NH+]2CCN(c3ccc(Cl)cc3Cl)CC2)C1=O ZINC000661389717 652430221 /nfs/dbraw/zinc/43/02/21/652430221.db2.gz VDUPYDHQYMOGRV-UHFFFAOYSA-N 1 2 385.295 2.446 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000582039447 652432725 /nfs/dbraw/zinc/43/27/25/652432725.db2.gz FHCIORWTAARKAM-DUVNUKRYSA-N 1 2 382.302 2.325 20 0 GEADLO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)ccc1Br ZINC000627572070 652432961 /nfs/dbraw/zinc/43/29/61/652432961.db2.gz QSWFTJIQBRIATO-CQSZACIVSA-N 1 2 383.286 2.395 20 0 GEADLO NC(=O)C1([NH2+]Cc2ncc(-c3ccccc3Br)o2)CCOCC1 ZINC000661594149 652434072 /nfs/dbraw/zinc/43/40/72/652434072.db2.gz NQFZIGGRHRWHRZ-UHFFFAOYSA-N 1 2 380.242 2.228 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1nc(-c2cccs2)cs1 ZINC000661596229 652434080 /nfs/dbraw/zinc/43/40/80/652434080.db2.gz BAZVDUBQIUFGFN-VXGBXAGGSA-N 1 2 376.507 2.411 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1nc(-c2cccs2)cs1 ZINC000661596229 652434084 /nfs/dbraw/zinc/43/40/84/652434084.db2.gz BAZVDUBQIUFGFN-VXGBXAGGSA-N 1 2 376.507 2.411 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627942284 652444294 /nfs/dbraw/zinc/44/42/94/652444294.db2.gz NHHIUKXIYGKZNO-UHFFFAOYSA-N 1 2 387.249 2.190 20 0 GEADLO OCC[N@H+](CCOCC(F)(F)F)Cc1ncc(Br)cc1F ZINC000628171317 652454011 /nfs/dbraw/zinc/45/40/11/652454011.db2.gz YTDZCOQTHQWDDQ-UHFFFAOYSA-N 1 2 375.160 2.356 20 0 GEADLO OCC[N@@H+](CCOCC(F)(F)F)Cc1ncc(Br)cc1F ZINC000628171317 652454012 /nfs/dbraw/zinc/45/40/12/652454012.db2.gz YTDZCOQTHQWDDQ-UHFFFAOYSA-N 1 2 375.160 2.356 20 0 GEADLO C[C@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000582540511 652454578 /nfs/dbraw/zinc/45/45/78/652454578.db2.gz PKHLBPHGAHFTAI-SMDDNHRTSA-N 1 2 380.495 2.271 20 0 GEADLO Cc1cc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)ncc1Br ZINC000628271136 652456960 /nfs/dbraw/zinc/45/69/60/652456960.db2.gz OBZUSEGHKCWQAO-CYBMUJFWSA-N 1 2 390.347 2.256 20 0 GEADLO Cc1cc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)ncc1Br ZINC000628271136 652456961 /nfs/dbraw/zinc/45/69/61/652456961.db2.gz OBZUSEGHKCWQAO-CYBMUJFWSA-N 1 2 390.347 2.256 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC000582666858 652458188 /nfs/dbraw/zinc/45/81/88/652458188.db2.gz ALQFAHRCBWTRGY-UHFFFAOYSA-N 1 2 393.228 2.455 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2F)C1 ZINC000628496003 652459467 /nfs/dbraw/zinc/45/94/67/652459467.db2.gz GJCKSVBUIOUQEO-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2F)C1 ZINC000628496003 652459470 /nfs/dbraw/zinc/45/94/70/652459470.db2.gz GJCKSVBUIOUQEO-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO COCCS(=O)(=O)CCC[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000755204792 652460283 /nfs/dbraw/zinc/46/02/83/652460283.db2.gz FMHDMJDZOXXOOR-UHFFFAOYSA-N 1 2 382.295 2.471 20 0 GEADLO COCCS(=O)(=O)CCC[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000755204792 652460286 /nfs/dbraw/zinc/46/02/86/652460286.db2.gz FMHDMJDZOXXOOR-UHFFFAOYSA-N 1 2 382.295 2.471 20 0 GEADLO Cc1onc(CO)c1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000582735807 652460870 /nfs/dbraw/zinc/46/08/70/652460870.db2.gz MIMDWXUHSQXWIA-UHFFFAOYSA-N 1 2 393.241 2.166 20 0 GEADLO CSc1ccc(Cl)c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC000628579103 652463589 /nfs/dbraw/zinc/46/35/89/652463589.db2.gz PTHTYAJCWALUOP-SFHVURJKSA-N 1 2 384.929 2.408 20 0 GEADLO CSc1ccc(Cl)c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC000628579103 652463592 /nfs/dbraw/zinc/46/35/92/652463592.db2.gz PTHTYAJCWALUOP-SFHVURJKSA-N 1 2 384.929 2.408 20 0 GEADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000755727000 652474010 /nfs/dbraw/zinc/47/40/10/652474010.db2.gz VJWUASIMONGAAH-HNNXBMFYSA-N 1 2 392.253 2.380 20 0 GEADLO OCC[N@H+](Cc1ncc(I)s1)[C@@H]1CCCSC1 ZINC000583289956 652480112 /nfs/dbraw/zinc/48/01/12/652480112.db2.gz ALCZVHKPLGMYKM-SECBINFHSA-N 1 2 384.308 2.438 20 0 GEADLO OCC[N@@H+](Cc1ncc(I)s1)[C@@H]1CCCSC1 ZINC000583289956 652480114 /nfs/dbraw/zinc/48/01/14/652480114.db2.gz ALCZVHKPLGMYKM-SECBINFHSA-N 1 2 384.308 2.438 20 0 GEADLO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755951650 652481889 /nfs/dbraw/zinc/48/18/89/652481889.db2.gz FCAVYBYOAXNYPO-IZHWHUGBSA-N 1 2 393.336 2.204 20 0 GEADLO O=C(N=c1nc(-c2cccnc2)[nH]s1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000583368041 652481991 /nfs/dbraw/zinc/48/19/91/652481991.db2.gz PWGWTONPBJPHHE-CQSZACIVSA-N 1 2 375.523 2.178 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2csc(CCc3ccccc3)n2)CC1 ZINC000755953659 652482116 /nfs/dbraw/zinc/48/21/16/652482116.db2.gz BUZYBWHVLYAJIA-VWLOTQADSA-N 1 2 377.579 2.424 20 0 GEADLO CCS(=O)(=O)N1CCC(Nc2nc(C)[nH+]c(C)c2Br)CC1 ZINC000663378680 652495885 /nfs/dbraw/zinc/49/58/85/652495885.db2.gz CPBRNUOYONZBCG-UHFFFAOYSA-N 1 2 377.308 2.082 20 0 GEADLO Cc1nc(NC[C@H](O)COc2ccc3c(c2)OCO3)c(Br)c(C)[nH+]1 ZINC000663427528 652498842 /nfs/dbraw/zinc/49/88/42/652498842.db2.gz VNTTVVYMKQAGCK-NSHDSACASA-N 1 2 396.241 2.436 20 0 GEADLO Brc1ccc(-c2nc(CN[C@H](C3CC3)[C@@H]3C[NH2+]CCO3)n[nH]2)cc1 ZINC000583865856 652500393 /nfs/dbraw/zinc/50/03/93/652500393.db2.gz JUBJASJBBGFOFZ-GOEBONIOSA-N 1 2 392.301 2.091 20 0 GEADLO Brc1ccc(-c2n[nH]c(CN[C@H](C3CC3)[C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000583865856 652500399 /nfs/dbraw/zinc/50/03/99/652500399.db2.gz JUBJASJBBGFOFZ-GOEBONIOSA-N 1 2 392.301 2.091 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)Nc3nncs3)[nH+]c12 ZINC000584021521 652506216 /nfs/dbraw/zinc/50/62/16/652506216.db2.gz YHWBYAXVZLQARW-UHFFFAOYSA-N 1 2 381.259 2.621 20 0 GEADLO Cc1cc(N2CC[C@@H](Nc3nc(C)[nH+]c(C)c3Br)C2=O)n(C)n1 ZINC000663671503 652508051 /nfs/dbraw/zinc/50/80/51/652508051.db2.gz OTPHUBLYEOUBAL-LLVKDONJSA-N 1 2 379.262 2.115 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1cc(F)ccc1Br ZINC000663755228 652511039 /nfs/dbraw/zinc/51/10/39/652511039.db2.gz LEHYGSZTBDBZJG-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1cc(F)ccc1Br ZINC000663755228 652511044 /nfs/dbraw/zinc/51/10/44/652511044.db2.gz LEHYGSZTBDBZJG-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc(F)ccc2Br)[C@@H](C)CO1 ZINC000663755230 652511126 /nfs/dbraw/zinc/51/11/26/652511126.db2.gz LEHYGSZTBDBZJG-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(F)ccc2Br)[C@@H](C)CO1 ZINC000663755230 652511127 /nfs/dbraw/zinc/51/11/27/652511127.db2.gz LEHYGSZTBDBZJG-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO Cc1cc(CNc2nc(C)[nH+]c(C)c2Br)ccc1S(N)(=O)=O ZINC000663845977 652512786 /nfs/dbraw/zinc/51/27/86/652512786.db2.gz DUSBRYFJCZDBJH-UHFFFAOYSA-N 1 2 385.287 2.424 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2sccc2Br)[C@@H](C)CO1 ZINC000663869245 652513895 /nfs/dbraw/zinc/51/38/95/652513895.db2.gz ZRMYZNMXRDFKBX-QWRGUYRKSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2sccc2Br)[C@@H](C)CO1 ZINC000663869245 652513900 /nfs/dbraw/zinc/51/39/00/652513900.db2.gz ZRMYZNMXRDFKBX-QWRGUYRKSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@H](O)CNc1cc(N2CCN(c3ccc(Br)cc3)CC2)nc[nH+]1 ZINC000664325198 652526725 /nfs/dbraw/zinc/52/67/25/652526725.db2.gz IBAMFOYQFKJCOU-ZDUSSCGKSA-N 1 2 392.301 2.358 20 0 GEADLO C[C@H](O)CNc1cc(N2CCN(c3ccc(Br)cc3)CC2)[nH+]cn1 ZINC000664325198 652526729 /nfs/dbraw/zinc/52/67/29/652526729.db2.gz IBAMFOYQFKJCOU-ZDUSSCGKSA-N 1 2 392.301 2.358 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000664444953 652527409 /nfs/dbraw/zinc/52/74/09/652527409.db2.gz LBRLBZWGMSBBFM-NEPJUHHUSA-N 1 2 391.299 2.176 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000664444953 652527412 /nfs/dbraw/zinc/52/74/12/652527412.db2.gz LBRLBZWGMSBBFM-NEPJUHHUSA-N 1 2 391.299 2.176 20 0 GEADLO O=c1[nH]c2ccc(S(=O)(=O)NCCc3cn4c([nH+]3)CCCC4)cc2s1 ZINC000631720301 652533374 /nfs/dbraw/zinc/53/33/74/652533374.db2.gz CRUHMEQMOZHVNJ-UHFFFAOYSA-N 1 2 378.479 2.056 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000758338850 652537878 /nfs/dbraw/zinc/53/78/78/652537878.db2.gz SOLYYKZNKIDYKE-WBMJQRKESA-N 1 2 390.311 2.437 20 0 GEADLO O=C(CCCn1cc[nH+]c1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000588048948 652546589 /nfs/dbraw/zinc/54/65/89/652546589.db2.gz ZISIETBJWSZEBZ-UHFFFAOYSA-N 1 2 393.285 2.362 20 0 GEADLO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2onc(C3CC3)c2Cl)CC1 ZINC000632062456 652547829 /nfs/dbraw/zinc/54/78/29/652547829.db2.gz YQLPIKLCVRSVFF-UHFFFAOYSA-N 1 2 391.921 2.373 20 0 GEADLO Cc1nc(CS(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cs1 ZINC000632680827 652574756 /nfs/dbraw/zinc/57/47/56/652574756.db2.gz VUVXTBBOAMDRNS-UHFFFAOYSA-N 1 2 384.552 2.019 20 0 GEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc(I)cc1F ZINC000590758953 652580599 /nfs/dbraw/zinc/58/05/99/652580599.db2.gz DUKBHRJWKMAMAM-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO C[C@@]1(c2ccc(Br)cc2)CC(=O)N(C[NH+]2CCC(C)(O)CC2)C1=O ZINC000759748797 652585355 /nfs/dbraw/zinc/58/53/55/652585355.db2.gz YNPHVQXQZCHWQU-SFHVURJKSA-N 1 2 395.297 2.270 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(Br)cc1F ZINC000633092482 652585591 /nfs/dbraw/zinc/58/55/91/652585591.db2.gz OLDCLLPCRPXUSM-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1ccc(Br)cc1F ZINC000633092482 652585595 /nfs/dbraw/zinc/58/55/95/652585595.db2.gz OLDCLLPCRPXUSM-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000592203513 652591363 /nfs/dbraw/zinc/59/13/63/652591363.db2.gz QWYYOVSADPRVLU-WFASDCNBSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000592203513 652591367 /nfs/dbraw/zinc/59/13/67/652591367.db2.gz QWYYOVSADPRVLU-WFASDCNBSA-N 1 2 395.253 2.460 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc3ccccc3nc2Br)CC1 ZINC000760205245 652598909 /nfs/dbraw/zinc/59/89/09/652598909.db2.gz RTACORSQHXJGPR-UHFFFAOYSA-N 1 2 391.269 2.100 20 0 GEADLO CN(C1CCOCC1)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760429775 652608967 /nfs/dbraw/zinc/60/89/67/652608967.db2.gz GMIGWWDSAVMBNC-IAGOWNOFSA-N 1 2 387.933 2.030 20 0 GEADLO CN(C1CCOCC1)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760429775 652608968 /nfs/dbraw/zinc/60/89/68/652608968.db2.gz GMIGWWDSAVMBNC-IAGOWNOFSA-N 1 2 387.933 2.030 20 0 GEADLO CN(C)[C@H](C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)c1c[nH+]cn1C ZINC000633732074 652609190 /nfs/dbraw/zinc/60/91/90/652609190.db2.gz UIBPBJQXTGFGOM-ZETCQYMHSA-N 1 2 384.334 2.167 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCCc3sccc3C2)cc1S(N)(=O)=O ZINC000592983585 652610586 /nfs/dbraw/zinc/61/05/86/652610586.db2.gz LAUSQRFIAURCPV-UHFFFAOYSA-N 1 2 379.507 2.091 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCCc3sccc3C2)cc1S(N)(=O)=O ZINC000592983585 652610589 /nfs/dbraw/zinc/61/05/89/652610589.db2.gz LAUSQRFIAURCPV-UHFFFAOYSA-N 1 2 379.507 2.091 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1C1CC1 ZINC000593131047 652615114 /nfs/dbraw/zinc/61/51/14/652615114.db2.gz SAMKHOHNZQGPNM-RRFJBIMHSA-N 1 2 381.270 2.107 20 0 GEADLO COC(=O)[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1C1CC1 ZINC000593131047 652615116 /nfs/dbraw/zinc/61/51/16/652615116.db2.gz SAMKHOHNZQGPNM-RRFJBIMHSA-N 1 2 381.270 2.107 20 0 GEADLO O=S(=O)(NCCNc1cccc[nH+]1)c1cc(Br)cnc1Cl ZINC000760594373 652616979 /nfs/dbraw/zinc/61/69/79/652616979.db2.gz NTBUGLRWCLNXPP-UHFFFAOYSA-N 1 2 391.678 2.283 20 0 GEADLO Cc1c(Br)cncc1C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000668139501 652630251 /nfs/dbraw/zinc/63/02/51/652630251.db2.gz BHSXSDVEEQHEEJ-ZDUSSCGKSA-N 1 2 390.347 2.256 20 0 GEADLO Cc1c(Br)cncc1C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000668139501 652630253 /nfs/dbraw/zinc/63/02/53/652630253.db2.gz BHSXSDVEEQHEEJ-ZDUSSCGKSA-N 1 2 390.347 2.256 20 0 GEADLO Cn1cc(Br)c(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)n1 ZINC000634304803 652637286 /nfs/dbraw/zinc/63/72/86/652637286.db2.gz UZOVNHYGBWVPFV-UHFFFAOYSA-N 1 2 396.314 2.061 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000668332710 652639017 /nfs/dbraw/zinc/63/90/17/652639017.db2.gz VDQMLUODHVFBOW-UHFFFAOYSA-N 1 2 381.263 2.281 20 0 GEADLO Cc1ccc2c(c1Br)CN(C(=O)C(=O)NCCCn1cc[nH+]c1)C2 ZINC000668332693 652639066 /nfs/dbraw/zinc/63/90/66/652639066.db2.gz UTGQZFCZUDXHPZ-UHFFFAOYSA-N 1 2 391.269 2.003 20 0 GEADLO CN1CC[N@H+](C)[C@H](CN2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000761284141 652641201 /nfs/dbraw/zinc/64/12/01/652641201.db2.gz SPBLISGLSVJTNX-SJCJKPOMSA-N 1 2 385.295 2.006 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CN2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000761284141 652641204 /nfs/dbraw/zinc/64/12/04/652641204.db2.gz SPBLISGLSVJTNX-SJCJKPOMSA-N 1 2 385.295 2.006 20 0 GEADLO O[C@@H](C[N@@H+]1CCc2c(F)cc(Br)cc2C1)CC1(O)CCOCC1 ZINC000634645250 652646494 /nfs/dbraw/zinc/64/64/94/652646494.db2.gz JZZXERLAIUROEE-CQSZACIVSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@@H](C[N@H+]1CCc2c(F)cc(Br)cc2C1)CC1(O)CCOCC1 ZINC000634645250 652646495 /nfs/dbraw/zinc/64/64/95/652646495.db2.gz JZZXERLAIUROEE-CQSZACIVSA-N 1 2 388.277 2.239 20 0 GEADLO O=S(=O)(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000634660925 652651763 /nfs/dbraw/zinc/65/17/63/652651763.db2.gz FPWXOZDLMREDGP-LLVKDONJSA-N 1 2 375.372 2.118 20 0 GEADLO Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)s1 ZINC000634661698 652652236 /nfs/dbraw/zinc/65/22/36/652652236.db2.gz ZYCDZGNFSUBWLS-VIFPVBQESA-N 1 2 376.301 2.309 20 0 GEADLO O=S(=O)(N[C@H]1CCn2c[nH+]cc2C1)c1c(F)cccc1OC(F)(F)F ZINC000634661645 652652545 /nfs/dbraw/zinc/65/25/45/652652545.db2.gz YBOMLUVFRLZBHY-VIFPVBQESA-N 1 2 379.335 2.214 20 0 GEADLO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000634661703 652652614 /nfs/dbraw/zinc/65/26/14/652652614.db2.gz ZYWTXDDWZIKPIL-LBPRGKRZSA-N 1 2 375.372 2.216 20 0 GEADLO COc1ccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c(Cl)n1 ZINC000761682844 652653938 /nfs/dbraw/zinc/65/39/38/652653938.db2.gz FAKOWPUYIBLUFA-MRXNPFEDSA-N 1 2 386.905 2.073 20 0 GEADLO COc1ccc(CCC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)c(Br)c1 ZINC000668696606 652660723 /nfs/dbraw/zinc/66/07/23/652660723.db2.gz RUEJIVLYTKHRAH-CQSZACIVSA-N 1 2 398.345 2.142 20 0 GEADLO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CC(n2cc[nH+]c2)C1 ZINC000668759976 652665751 /nfs/dbraw/zinc/66/57/51/652665751.db2.gz SFHOGGXYHJZSKE-CABCVRRESA-N 1 2 377.242 2.202 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@H]4CC4(Cl)Cl)n3)cn2)CC1 ZINC000762235055 652681925 /nfs/dbraw/zinc/68/19/25/652681925.db2.gz NWEWJQWMCMFJRQ-LLVKDONJSA-N 1 2 382.251 2.180 20 0 GEADLO CN(C)c1cc(CN2C(=O)c3cc(Br)ccc3S2(=O)=O)cc[nH+]1 ZINC000762478413 652693333 /nfs/dbraw/zinc/69/33/33/652693333.db2.gz HXIDLXLUBQLKAK-UHFFFAOYSA-N 1 2 396.266 2.255 20 0 GEADLO CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459165 652730748 /nfs/dbraw/zinc/73/07/48/652730748.db2.gz LUBPIRMMXCMRDR-VXGBXAGGSA-N 1 2 378.420 2.145 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000595491630 652731142 /nfs/dbraw/zinc/73/11/42/652731142.db2.gz TWGZBTCCARNYEK-UHFFFAOYSA-N 1 2 383.235 2.431 20 0 GEADLO O=C(C[NH2+][C@H](CO)c1cccc(Cl)c1Cl)NC(=O)NCC(F)(F)F ZINC000595828467 652737518 /nfs/dbraw/zinc/73/75/18/652737518.db2.gz KLVAIEJHBKSOLZ-SECBINFHSA-N 1 2 388.173 2.005 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)NCC(C)(C)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000670133406 652740647 /nfs/dbraw/zinc/74/06/47/652740647.db2.gz ANWXLVZTKZSLID-CQSZACIVSA-N 1 2 375.922 2.065 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@](F)(CO)C3)[nH+]c12 ZINC000670151613 652741406 /nfs/dbraw/zinc/74/14/06/652741406.db2.gz VUQWEIBFWNQGBX-MRXNPFEDSA-N 1 2 399.264 2.064 20 0 GEADLO COCCOCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000670394608 652744895 /nfs/dbraw/zinc/74/48/95/652744895.db2.gz NABMCCDVYZRIEV-UHFFFAOYSA-N 1 2 396.285 2.337 20 0 GEADLO CN(C)c1cc(COC(=O)CNC(=O)c2ccc(Br)cc2)cc[nH+]1 ZINC000763286760 652749805 /nfs/dbraw/zinc/74/98/05/652749805.db2.gz DEMZTTIHCJGNMX-UHFFFAOYSA-N 1 2 392.253 2.383 20 0 GEADLO O=C(Cc1ccc(Cl)cc1Cl)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596034135 652750313 /nfs/dbraw/zinc/75/03/13/652750313.db2.gz GHZIIVIGXNOPBT-UHFFFAOYSA-N 1 2 383.279 2.703 20 0 GEADLO Cc1nc(CNC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cs1 ZINC000670633965 652759237 /nfs/dbraw/zinc/75/92/37/652759237.db2.gz KJRLVMGOPGSOKP-HNNXBMFYSA-N 1 2 380.901 2.140 20 0 GEADLO O=C(NCc1ccc(Br)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000670832460 652766407 /nfs/dbraw/zinc/76/64/07/652766407.db2.gz HBSQDSMOPHYREF-OAHLLOKOSA-N 1 2 391.269 2.126 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000635982716 652770590 /nfs/dbraw/zinc/77/05/90/652770590.db2.gz GLOVKYZBAXHGLE-XHBSWPGZSA-N 1 2 394.269 2.476 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000635982716 652770595 /nfs/dbraw/zinc/77/05/95/652770595.db2.gz GLOVKYZBAXHGLE-XHBSWPGZSA-N 1 2 394.269 2.476 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1Br ZINC000598184743 652803024 /nfs/dbraw/zinc/80/30/24/652803024.db2.gz NSWHFGHXJAGIKW-XHDPSFHLSA-N 1 2 392.253 2.239 20 0 GEADLO CS(=O)(=O)NC1CC[NH+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000671676498 652807016 /nfs/dbraw/zinc/80/70/16/652807016.db2.gz HFGKONIPEARAJM-UHFFFAOYSA-N 1 2 388.287 2.104 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cn2cc(Br)ccc2n1 ZINC000671719738 652811027 /nfs/dbraw/zinc/81/10/27/652811027.db2.gz ASMUUJDWDGLZAB-CJNGLKHVSA-N 1 2 379.302 2.392 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000636631418 652813102 /nfs/dbraw/zinc/81/31/02/652813102.db2.gz VBMUJCITYYXEPP-RISCZKNCSA-N 1 2 377.242 2.393 20 0 GEADLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2Cc3ccc(Br)cc3C2)C1 ZINC000764951204 652816383 /nfs/dbraw/zinc/81/63/83/652816383.db2.gz PPFZMVMSZQFGAW-AWEZNQCLSA-N 1 2 375.270 2.472 20 0 GEADLO C[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000636975300 652833005 /nfs/dbraw/zinc/83/30/05/652833005.db2.gz GIJFKNIHAWPRAV-YGRLFVJLSA-N 1 2 396.340 2.328 20 0 GEADLO COc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c(I)c1 ZINC000598946299 652841640 /nfs/dbraw/zinc/84/16/40/652841640.db2.gz GELCSTLOSWFJTQ-SNVBAGLBSA-N 1 2 397.216 2.241 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1c(F)cccc1I ZINC000598949917 652842269 /nfs/dbraw/zinc/84/22/69/652842269.db2.gz XEOXLUSJQGNACO-VIFPVBQESA-N 1 2 385.180 2.372 20 0 GEADLO O=C(Cc1ccccc1I)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598948137 652842320 /nfs/dbraw/zinc/84/23/20/652842320.db2.gz PFPYJTZUQWSUCG-LBPRGKRZSA-N 1 2 381.217 2.161 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NC(=S)NC[C@H]2CCOC2)c2ccc(Cl)cc2)C1 ZINC000765519978 652842817 /nfs/dbraw/zinc/84/28/17/652842817.db2.gz JRFSLZBYLPTOOV-XOKHGSTOSA-N 1 2 383.945 2.212 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NC(=S)NC[C@H]2CCOC2)c2ccc(Cl)cc2)C1 ZINC000765519978 652842822 /nfs/dbraw/zinc/84/28/22/652842822.db2.gz JRFSLZBYLPTOOV-XOKHGSTOSA-N 1 2 383.945 2.212 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672879532 652848863 /nfs/dbraw/zinc/84/88/63/652848863.db2.gz ZUWQKCLUQNXQAW-UHFFFAOYSA-N 1 2 380.432 2.091 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672879532 652848867 /nfs/dbraw/zinc/84/88/67/652848867.db2.gz ZUWQKCLUQNXQAW-UHFFFAOYSA-N 1 2 380.432 2.091 20 0 GEADLO CCCCCS(=O)(=O)CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673471197 652864885 /nfs/dbraw/zinc/86/48/85/652864885.db2.gz IPDSNCCUNMOVRD-UHFFFAOYSA-N 1 2 387.571 2.212 20 0 GEADLO Cn1ccnc1[C@@H](C1CC1)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000637883556 652876704 /nfs/dbraw/zinc/87/67/04/652876704.db2.gz PFJZAWRVQTZOMD-MRXNPFEDSA-N 1 2 380.539 2.376 20 0 GEADLO C[N@H+](Cc1ccc(S(N)(=O)=O)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000637944806 652878297 /nfs/dbraw/zinc/87/82/97/652878297.db2.gz NGWZYBSYBXCBQI-ZFWWWQNUSA-N 1 2 391.276 2.324 20 0 GEADLO C[N@@H+](Cc1ccc(S(N)(=O)=O)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000637944806 652878300 /nfs/dbraw/zinc/87/83/00/652878300.db2.gz NGWZYBSYBXCBQI-ZFWWWQNUSA-N 1 2 391.276 2.324 20 0 GEADLO Brc1cnc2c(CN3CCCC[C@H]3C[NH+]3CCOCC3)cnn2c1 ZINC000638024374 652881873 /nfs/dbraw/zinc/88/18/73/652881873.db2.gz QEZVEZRRIQXQSF-INIZCTEOSA-N 1 2 394.317 2.179 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@H]2CCC[C@H]21 ZINC000599654465 652882474 /nfs/dbraw/zinc/88/24/74/652882474.db2.gz MHRUSTNWNVHKJU-XHSDSOJGSA-N 1 2 386.901 2.151 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@H]2CCC[C@H]21 ZINC000599654465 652882477 /nfs/dbraw/zinc/88/24/77/652882477.db2.gz MHRUSTNWNVHKJU-XHSDSOJGSA-N 1 2 386.901 2.151 20 0 GEADLO C[N@@H+](Cc1nnc2ccccn21)C[C@@H](O)COc1ccc(Br)cc1 ZINC000674305730 652893478 /nfs/dbraw/zinc/89/34/78/652893478.db2.gz XLABEXLVLYMHIQ-CQSZACIVSA-N 1 2 391.269 2.364 20 0 GEADLO C[N@H+](Cc1nnc2ccccn21)C[C@@H](O)COc1ccc(Br)cc1 ZINC000674305730 652893480 /nfs/dbraw/zinc/89/34/80/652893480.db2.gz XLABEXLVLYMHIQ-CQSZACIVSA-N 1 2 391.269 2.364 20 0 GEADLO COC1CC[NH+](CCNS(=O)(=O)c2sc(C)cc2Br)CC1 ZINC000674333741 652895034 /nfs/dbraw/zinc/89/50/34/652895034.db2.gz HGWWOQPDURMBKB-UHFFFAOYSA-N 1 2 397.360 2.208 20 0 GEADLO O=C1[C@@H]([NH2+]Cc2nc3cc(Br)ccc3o2)CCN1C1CCOCC1 ZINC000638722385 652904707 /nfs/dbraw/zinc/90/47/07/652904707.db2.gz PSFLFCQQSVALMS-ZDUSSCGKSA-N 1 2 394.269 2.460 20 0 GEADLO COC(=O)[C@@]1(OC)CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)C1 ZINC000600191822 652907705 /nfs/dbraw/zinc/90/77/05/652907705.db2.gz MMKLEELSGMQRIG-MRXNPFEDSA-N 1 2 382.258 2.169 20 0 GEADLO OC1(C(F)(F)F)CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000638920887 652913417 /nfs/dbraw/zinc/91/34/17/652913417.db2.gz FADNPZRVRFKCOR-UHFFFAOYSA-N 1 2 379.180 2.381 20 0 GEADLO COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1OC ZINC000639114096 652919449 /nfs/dbraw/zinc/91/94/49/652919449.db2.gz FCWWLGCSKFBOIQ-CQSZACIVSA-N 1 2 388.917 2.357 20 0 GEADLO COc1cc(Cl)c(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1OC ZINC000639114096 652919452 /nfs/dbraw/zinc/91/94/52/652919452.db2.gz FCWWLGCSKFBOIQ-CQSZACIVSA-N 1 2 388.917 2.357 20 0 GEADLO COc1nsc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1Br ZINC000639144568 652922391 /nfs/dbraw/zinc/92/23/91/652922391.db2.gz BOIMNHBWQNMTSK-VIFPVBQESA-N 1 2 384.303 2.666 20 0 GEADLO COc1nsc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1Br ZINC000639144568 652922399 /nfs/dbraw/zinc/92/23/99/652922399.db2.gz BOIMNHBWQNMTSK-VIFPVBQESA-N 1 2 384.303 2.666 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)s1 ZINC000639148176 652923140 /nfs/dbraw/zinc/92/31/40/652923140.db2.gz RHRNGNKSXJITLF-UHFFFAOYSA-N 1 2 387.477 2.386 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)s1 ZINC000639148176 652923150 /nfs/dbraw/zinc/92/31/50/652923150.db2.gz RHRNGNKSXJITLF-UHFFFAOYSA-N 1 2 387.477 2.386 20 0 GEADLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639164273 652924466 /nfs/dbraw/zinc/92/44/66/652924466.db2.gz PTMMRMKRVQBBJA-ZDUSSCGKSA-N 1 2 382.507 2.448 20 0 GEADLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639164273 652924471 /nfs/dbraw/zinc/92/44/71/652924471.db2.gz PTMMRMKRVQBBJA-ZDUSSCGKSA-N 1 2 382.507 2.448 20 0 GEADLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c2nccn21 ZINC000639251555 652928505 /nfs/dbraw/zinc/92/85/05/652928505.db2.gz ZIKHTQALOOZFRN-JOYOIKCWSA-N 1 2 385.287 2.089 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CCC(S(C)(=O)=O)CC1)c1ccsc1 ZINC000675479468 652928830 /nfs/dbraw/zinc/92/88/30/652928830.db2.gz HOJBOAGBNYIKIL-MRXNPFEDSA-N 1 2 387.571 2.350 20 0 GEADLO COc1cc(Br)c(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1O ZINC000639364113 652934250 /nfs/dbraw/zinc/93/42/50/652934250.db2.gz RDEOLQUYPUEYDS-AWEZNQCLSA-N 1 2 399.285 2.033 20 0 GEADLO COc1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cnc1Cl ZINC000767664478 652940134 /nfs/dbraw/zinc/94/01/34/652940134.db2.gz PJCZKWSVVPARTG-ZDUSSCGKSA-N 1 2 385.873 2.452 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C2CC2)C1 ZINC000639531613 652940296 /nfs/dbraw/zinc/94/02/96/652940296.db2.gz LCSAUVLBWWLYGM-CABCVRRESA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C2CC2)C1 ZINC000639531613 652940300 /nfs/dbraw/zinc/94/03/00/652940300.db2.gz LCSAUVLBWWLYGM-CABCVRRESA-N 1 2 394.320 2.385 20 0 GEADLO O=c1[nH]nc(C2CC[NH+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)CC2)[nH]1 ZINC000639619663 652944256 /nfs/dbraw/zinc/94/42/56/652944256.db2.gz RJPRKXIGTFUFOD-ZDUSSCGKSA-N 1 2 387.267 2.436 20 0 GEADLO Cn1[nH]c([C@H]2CCC[N@@H+]2C[C@@H](O)COc2cc(Cl)cc(Cl)c2)nc1=N ZINC000639625349 652945006 /nfs/dbraw/zinc/94/50/06/652945006.db2.gz TYJKXBFPYAJXTO-TZMCWYRMSA-N 1 2 386.283 2.111 20 0 GEADLO Cn1[nH]c([C@H]2CCC[N@H+]2C[C@@H](O)COc2cc(Cl)cc(Cl)c2)nc1=N ZINC000639625349 652945011 /nfs/dbraw/zinc/94/50/11/652945011.db2.gz TYJKXBFPYAJXTO-TZMCWYRMSA-N 1 2 386.283 2.111 20 0 GEADLO COc1ncc(Br)cc1C[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639713036 652949470 /nfs/dbraw/zinc/94/94/70/652949470.db2.gz FSBLTOUJVBSMLB-VIFPVBQESA-N 1 2 381.230 2.043 20 0 GEADLO COc1ncc(Br)cc1C[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639713036 652949474 /nfs/dbraw/zinc/94/94/74/652949474.db2.gz FSBLTOUJVBSMLB-VIFPVBQESA-N 1 2 381.230 2.043 20 0 GEADLO CS(=O)(=O)CC1(C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000639772278 652953426 /nfs/dbraw/zinc/95/34/26/652953426.db2.gz JCFLGQXCAOYNIL-ZDUSSCGKSA-N 1 2 389.315 2.122 20 0 GEADLO CS(=O)(=O)CC1(C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000639772278 652953432 /nfs/dbraw/zinc/95/34/32/652953432.db2.gz JCFLGQXCAOYNIL-ZDUSSCGKSA-N 1 2 389.315 2.122 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(-c2csc(C)n2)s1 ZINC000601377404 653089380 /nfs/dbraw/zinc/08/93/80/653089380.db2.gz GHRIMVBOSRSVJU-NSHDSACASA-N 1 2 376.463 2.417 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(-c2csc(C)n2)s1 ZINC000601377404 653089383 /nfs/dbraw/zinc/08/93/83/653089383.db2.gz GHRIMVBOSRSVJU-NSHDSACASA-N 1 2 376.463 2.417 20 0 GEADLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2Br)C(=O)N1c1cnn(C)c1 ZINC000676239863 653092515 /nfs/dbraw/zinc/09/25/15/653092515.db2.gz QNIRRCNPSAVCSQ-MEBBXXQBSA-N 1 2 379.258 2.172 20 0 GEADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH+]2CCC(C)(F)CC2)ccc1Cl ZINC000640071752 653095240 /nfs/dbraw/zinc/09/52/40/653095240.db2.gz FWUNBQRIMRTDAZ-UHFFFAOYSA-N 1 2 391.896 2.353 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cc3cn4cc(Br)ccc4n3)CC2)cn1 ZINC000676484967 653098429 /nfs/dbraw/zinc/09/84/29/653098429.db2.gz YZMVAWDWROZWLY-UHFFFAOYSA-N 1 2 389.301 2.148 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000676702893 653104124 /nfs/dbraw/zinc/10/41/24/653104124.db2.gz ZWTOPLAQYDRJMP-CHWSQXEVSA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000676702893 653104128 /nfs/dbraw/zinc/10/41/28/653104128.db2.gz ZWTOPLAQYDRJMP-CHWSQXEVSA-N 1 2 394.320 2.385 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000676709198 653104634 /nfs/dbraw/zinc/10/46/34/653104634.db2.gz LSROGXPOWPZTPH-CQSZACIVSA-N 1 2 388.917 2.403 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000676709198 653104637 /nfs/dbraw/zinc/10/46/37/653104637.db2.gz LSROGXPOWPZTPH-CQSZACIVSA-N 1 2 388.917 2.403 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000768318724 653110260 /nfs/dbraw/zinc/11/02/60/653110260.db2.gz OAFNCAOHKXQDKM-UHFFFAOYSA-N 1 2 397.305 2.116 20 0 GEADLO CC[N@@H+](Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C[C@@H]1CCOC1 ZINC000768521764 653115344 /nfs/dbraw/zinc/11/53/44/653115344.db2.gz VDMWNXLWTJAUOJ-KBPBESRZSA-N 1 2 375.922 2.063 20 0 GEADLO CC[N@H+](Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C[C@@H]1CCOC1 ZINC000768521764 653115353 /nfs/dbraw/zinc/11/53/53/653115353.db2.gz VDMWNXLWTJAUOJ-KBPBESRZSA-N 1 2 375.922 2.063 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C(=O)OC)c2ccc(Cl)cc2Cl)C1 ZINC000805469404 653117660 /nfs/dbraw/zinc/11/76/60/653117660.db2.gz MCAQXSHLSHJMER-ZIAGYGMSSA-N 1 2 376.236 2.471 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C(=O)OC)c2ccc(Cl)cc2Cl)C1 ZINC000805469404 653117667 /nfs/dbraw/zinc/11/76/67/653117667.db2.gz MCAQXSHLSHJMER-ZIAGYGMSSA-N 1 2 376.236 2.471 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000676989654 653118259 /nfs/dbraw/zinc/11/82/59/653118259.db2.gz PPJRTGXLEOHPOZ-GHMZBOCLSA-N 1 2 387.267 2.436 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000676989654 653118265 /nfs/dbraw/zinc/11/82/65/653118265.db2.gz PPJRTGXLEOHPOZ-GHMZBOCLSA-N 1 2 387.267 2.436 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000805476060 653119270 /nfs/dbraw/zinc/11/92/70/653119270.db2.gz HSFYLQLLXIMVTL-FZMZJTMJSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000805476060 653119274 /nfs/dbraw/zinc/11/92/74/653119274.db2.gz HSFYLQLLXIMVTL-FZMZJTMJSA-N 1 2 385.258 2.040 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640384026 653123828 /nfs/dbraw/zinc/12/38/28/653123828.db2.gz WYGARMAADREFEZ-UHFFFAOYSA-N 1 2 382.318 2.821 20 0 GEADLO CCOc1c(Cl)cc(C[NH+]2CCC(NS(C)(=O)=O)CC2)cc1OC ZINC000678129718 653127729 /nfs/dbraw/zinc/12/77/29/653127729.db2.gz NEOQQMDPEXUHIE-UHFFFAOYSA-N 1 2 376.906 2.261 20 0 GEADLO COC(=O)C[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000771862056 653130153 /nfs/dbraw/zinc/13/01/53/653130153.db2.gz JNDBSTXJGSBAOE-QFYYESIMSA-N 1 2 385.873 2.154 20 0 GEADLO COC(=O)C[C@@H]1CCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000771862056 653130155 /nfs/dbraw/zinc/13/01/55/653130155.db2.gz JNDBSTXJGSBAOE-QFYYESIMSA-N 1 2 385.873 2.154 20 0 GEADLO Cc1ncc([C@H](C)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)s1 ZINC000679149337 653139193 /nfs/dbraw/zinc/13/91/93/653139193.db2.gz PEWAPKRNQUMQOR-LBPRGKRZSA-N 1 2 381.527 2.101 20 0 GEADLO COCC[N@H+](C)Cc1cn(CC(=O)Nc2ccc(Br)cc2C)nn1 ZINC000640835901 653140708 /nfs/dbraw/zinc/14/07/08/653140708.db2.gz PDFUNWYUXZUBSB-UHFFFAOYSA-N 1 2 396.289 2.066 20 0 GEADLO COCC[N@@H+](C)Cc1cn(CC(=O)Nc2ccc(Br)cc2C)nn1 ZINC000640835901 653140712 /nfs/dbraw/zinc/14/07/12/653140712.db2.gz PDFUNWYUXZUBSB-UHFFFAOYSA-N 1 2 396.289 2.066 20 0 GEADLO CN(C)C(=O)C[NH+]1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000679330021 653144187 /nfs/dbraw/zinc/14/41/87/653144187.db2.gz QLGBPZPPBKDLMH-UHFFFAOYSA-N 1 2 391.313 2.203 20 0 GEADLO C[N@H+](CCO)Cc1cn(Cc2csc(Cc3ccc(Cl)cc3)n2)nn1 ZINC000640949158 653146636 /nfs/dbraw/zinc/14/66/36/653146636.db2.gz HOBIXIVGCIJLHH-UHFFFAOYSA-N 1 2 377.901 2.451 20 0 GEADLO C[N@@H+](CCO)Cc1cn(Cc2csc(Cc3ccc(Cl)cc3)n2)nn1 ZINC000640949158 653146640 /nfs/dbraw/zinc/14/66/40/653146640.db2.gz HOBIXIVGCIJLHH-UHFFFAOYSA-N 1 2 377.901 2.451 20 0 GEADLO COC(=O)c1cnc([C@@H](C)NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)s1 ZINC000602166175 653153271 /nfs/dbraw/zinc/15/32/71/653153271.db2.gz IRTAKVMWGLRSGN-SCZZXKLOSA-N 1 2 376.360 2.497 20 0 GEADLO O=C1[C@@H](n2cc(Cn3cc[nH+]c3)nn2)CCN1c1cccc(Br)c1 ZINC000641104646 653156701 /nfs/dbraw/zinc/15/67/01/653156701.db2.gz JUHSKMZLQMRUOZ-HNNXBMFYSA-N 1 2 387.241 2.263 20 0 GEADLO C[N@H+](CCO)Cc1cn(Cc2cccc(Br)c2OC(F)F)nn1 ZINC000641122390 653159109 /nfs/dbraw/zinc/15/91/09/653159109.db2.gz FCYMMCSFSDAERV-UHFFFAOYSA-N 1 2 391.216 2.114 20 0 GEADLO C[N@@H+](CCO)Cc1cn(Cc2cccc(Br)c2OC(F)F)nn1 ZINC000641122390 653159119 /nfs/dbraw/zinc/15/91/19/653159119.db2.gz FCYMMCSFSDAERV-UHFFFAOYSA-N 1 2 391.216 2.114 20 0 GEADLO OC[C@@H]1CCC[N@@H+]1Cc1cn(Cc2nc3cc(Br)ccc3o2)nn1 ZINC000641130497 653160169 /nfs/dbraw/zinc/16/01/69/653160169.db2.gz NTDFVPGHALTVOM-ZDUSSCGKSA-N 1 2 392.257 2.187 20 0 GEADLO OC[C@@H]1CCC[N@H+]1Cc1cn(Cc2nc3cc(Br)ccc3o2)nn1 ZINC000641130497 653160172 /nfs/dbraw/zinc/16/01/72/653160172.db2.gz NTDFVPGHALTVOM-ZDUSSCGKSA-N 1 2 392.257 2.187 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000769513620 653160307 /nfs/dbraw/zinc/16/03/07/653160307.db2.gz DBMJWSYRZDPONB-RRFJBIMHSA-N 1 2 387.933 2.063 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000769513620 653160311 /nfs/dbraw/zinc/16/03/11/653160311.db2.gz DBMJWSYRZDPONB-RRFJBIMHSA-N 1 2 387.933 2.063 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000769534534 653161106 /nfs/dbraw/zinc/16/11/06/653161106.db2.gz VQNCMHAMUBAIGQ-CQSZACIVSA-N 1 2 385.921 2.179 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000769534534 653161112 /nfs/dbraw/zinc/16/11/12/653161112.db2.gz VQNCMHAMUBAIGQ-CQSZACIVSA-N 1 2 385.921 2.179 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn(CCc3cc(Cl)cc(Cl)c3)nn2)C1 ZINC000641142319 653162297 /nfs/dbraw/zinc/16/22/97/653162297.db2.gz ZYUGCQPKZIDBET-AWEZNQCLSA-N 1 2 389.308 2.104 20 0 GEADLO COCC[N@H+](C)Cc1cn(C[C@@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000641196482 653169145 /nfs/dbraw/zinc/16/91/45/653169145.db2.gz RAUKCFQXCGTISF-CQSZACIVSA-N 1 2 389.283 2.103 20 0 GEADLO COCC[N@@H+](C)Cc1cn(C[C@@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000641196482 653169170 /nfs/dbraw/zinc/16/91/70/653169170.db2.gz RAUKCFQXCGTISF-CQSZACIVSA-N 1 2 389.283 2.103 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000641263483 653174803 /nfs/dbraw/zinc/17/48/03/653174803.db2.gz SVPUUNZOVJVIHW-UHFFFAOYSA-N 1 2 382.917 2.074 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)c1nccn2c(Br)cnc12 ZINC000769880011 653184956 /nfs/dbraw/zinc/18/49/56/653184956.db2.gz SQDMUTLYLHHRHJ-UHFFFAOYSA-N 1 2 375.230 2.119 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCC1(c2ccccc2Cl)CCOCC1 ZINC000641319470 653186163 /nfs/dbraw/zinc/18/61/63/653186163.db2.gz ADYWAFASXACQMN-UHFFFAOYSA-N 1 2 383.901 2.204 20 0 GEADLO COC[C@H](NS(=O)(=O)CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000641334428 653188693 /nfs/dbraw/zinc/18/86/93/653188693.db2.gz GHPZYCPPWULMHM-AWEZNQCLSA-N 1 2 377.388 2.209 20 0 GEADLO COC(=O)c1cc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)[nH]c1C ZINC000602647029 653197423 /nfs/dbraw/zinc/19/74/23/653197423.db2.gz GARBCOBHVWBOCF-CQSZACIVSA-N 1 2 380.242 2.188 20 0 GEADLO C[NH+](C)C1(C(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CCC1 ZINC000773429185 653198984 /nfs/dbraw/zinc/19/89/84/653198984.db2.gz JGRZRZOFPFFXDL-UHFFFAOYSA-N 1 2 378.416 2.209 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NOC3CCOCC3)[nH+]c12 ZINC000773445912 653199904 /nfs/dbraw/zinc/19/99/04/653199904.db2.gz DKJPJWGQBWGONA-UHFFFAOYSA-N 1 2 397.273 2.358 20 0 GEADLO CCOCCONC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000773451644 653200415 /nfs/dbraw/zinc/20/04/15/653200415.db2.gz UCMRBYSSMNVUSV-UHFFFAOYSA-N 1 2 385.262 2.215 20 0 GEADLO COc1cc(CS(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)sn1 ZINC000641419689 653203176 /nfs/dbraw/zinc/20/31/76/653203176.db2.gz XBAAIZKNMBQRMX-UHFFFAOYSA-N 1 2 384.527 2.370 20 0 GEADLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(Cl)ccc1I ZINC000602899269 653213874 /nfs/dbraw/zinc/21/38/74/653213874.db2.gz PBPCKNKMSJBXIN-DGCLKSJQSA-N 1 2 381.641 2.262 20 0 GEADLO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(Cl)ccc1I ZINC000602899269 653213878 /nfs/dbraw/zinc/21/38/78/653213878.db2.gz PBPCKNKMSJBXIN-DGCLKSJQSA-N 1 2 381.641 2.262 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682493495 653214720 /nfs/dbraw/zinc/21/47/20/653214720.db2.gz XPAYDYKDAVOXGC-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682493495 653214722 /nfs/dbraw/zinc/21/47/22/653214722.db2.gz XPAYDYKDAVOXGC-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO O=C(c1cccnc1I)N1CCC(n2cc[nH+]c2)CC1 ZINC000770552743 653216328 /nfs/dbraw/zinc/21/63/28/653216328.db2.gz OLNWOQZXFYQYCG-UHFFFAOYSA-N 1 2 382.205 2.360 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000641524412 653217837 /nfs/dbraw/zinc/21/78/37/653217837.db2.gz KUHPTEFCRLHOOY-CYBMUJFWSA-N 1 2 388.262 2.392 20 0 GEADLO COC(=O)c1c(Br)ccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1C ZINC000602991014 653219687 /nfs/dbraw/zinc/21/96/87/653219687.db2.gz QRLDYCIUVPQPST-SNVBAGLBSA-N 1 2 393.241 2.487 20 0 GEADLO CC1(C)CCC(=O)N1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000808180266 653221662 /nfs/dbraw/zinc/22/16/62/653221662.db2.gz WLLVLVOSGGEMEE-UHFFFAOYSA-N 1 2 377.436 2.428 20 0 GEADLO CC1(C)CCC(=O)N1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000808180266 653221666 /nfs/dbraw/zinc/22/16/66/653221666.db2.gz WLLVLVOSGGEMEE-UHFFFAOYSA-N 1 2 377.436 2.428 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c(Cl)cc1Cl ZINC000770715704 653222161 /nfs/dbraw/zinc/22/21/61/653222161.db2.gz BOOJXEKSLKPKLK-NXEZZACHSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c(Cl)cc1Cl ZINC000770715704 653222167 /nfs/dbraw/zinc/22/21/67/653222167.db2.gz BOOJXEKSLKPKLK-NXEZZACHSA-N 1 2 395.308 2.493 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCc2ccc(F)c(Br)c2C1 ZINC000641626270 653224988 /nfs/dbraw/zinc/22/49/88/653224988.db2.gz HUGDMQZKDZJZDP-UHFFFAOYSA-N 1 2 388.262 2.173 20 0 GEADLO COc1cc(Br)c2nc(N[C@@H](C)C[NH+]3CCOCC3)nc(N)c2c1 ZINC000683183737 653230032 /nfs/dbraw/zinc/23/00/32/653230032.db2.gz CYPDQVSTHYOCKX-JTQLQIEISA-N 1 2 396.289 2.116 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000774335080 653234682 /nfs/dbraw/zinc/23/46/82/653234682.db2.gz UAGLKYVFZWQNJQ-UHFFFAOYSA-N 1 2 388.225 2.055 20 0 GEADLO Nc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc(Br)n1 ZINC000874039551 653252541 /nfs/dbraw/zinc/25/25/41/653252541.db2.gz OCKZAOIRDDWELM-UHFFFAOYSA-N 1 2 376.258 2.220 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000857140165 653289622 /nfs/dbraw/zinc/28/96/22/653289622.db2.gz YLGSWUGJADENJN-UHFFFAOYSA-N 1 2 378.217 2.351 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000857140165 653289632 /nfs/dbraw/zinc/28/96/32/653289632.db2.gz YLGSWUGJADENJN-UHFFFAOYSA-N 1 2 378.217 2.351 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775181738 653301122 /nfs/dbraw/zinc/30/11/22/653301122.db2.gz KVJJNYNQNQNVSF-HIFRSBDPSA-N 1 2 384.307 2.029 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775181738 653301132 /nfs/dbraw/zinc/30/11/32/653301132.db2.gz KVJJNYNQNQNVSF-HIFRSBDPSA-N 1 2 384.307 2.029 20 0 GEADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000857384198 653318912 /nfs/dbraw/zinc/31/89/12/653318912.db2.gz VYQCZFRJMFNHTA-DGCLKSJQSA-N 1 2 375.300 2.183 20 0 GEADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000857384198 653318915 /nfs/dbraw/zinc/31/89/15/653318915.db2.gz VYQCZFRJMFNHTA-DGCLKSJQSA-N 1 2 375.300 2.183 20 0 GEADLO COC(=O)C[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)C1CCOCC1 ZINC000775609648 653319709 /nfs/dbraw/zinc/31/97/09/653319709.db2.gz BDXHCQJISUDTOV-OAHLLOKOSA-N 1 2 390.249 2.276 20 0 GEADLO COC(=O)C[N@@H+](C[C@@H](O)c1ccc(F)c(Br)c1)C1CCOCC1 ZINC000775609648 653319713 /nfs/dbraw/zinc/31/97/13/653319713.db2.gz BDXHCQJISUDTOV-OAHLLOKOSA-N 1 2 390.249 2.276 20 0 GEADLO C[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)CC(C)(C)S(C)(=O)=O ZINC000775646568 653320402 /nfs/dbraw/zinc/32/04/02/653320402.db2.gz PMBRMVZDXOLEBV-CYBMUJFWSA-N 1 2 382.295 2.377 20 0 GEADLO C[N@@H+](C[C@@H](O)c1ccc(F)c(Br)c1)CC(C)(C)S(C)(=O)=O ZINC000775646568 653320412 /nfs/dbraw/zinc/32/04/12/653320412.db2.gz PMBRMVZDXOLEBV-CYBMUJFWSA-N 1 2 382.295 2.377 20 0 GEADLO Cc1cc(C)c(CNC(=O)C(=O)Nc2cnc(Br)cc2C)c[nH+]1 ZINC000836039059 653326046 /nfs/dbraw/zinc/32/60/46/653326046.db2.gz YWRCFEHVXXEASO-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO Cc1cc(C)c(CNC(=O)C(=O)Nc2cnc(Br)c(C)c2)c[nH+]1 ZINC000836037645 653326242 /nfs/dbraw/zinc/32/62/42/653326242.db2.gz JOIMWWSQJJOQKK-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000874708326 653333667 /nfs/dbraw/zinc/33/36/67/653333667.db2.gz MOEBOFWABYWRJV-NSHDSACASA-N 1 2 382.814 2.091 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000874708326 653333671 /nfs/dbraw/zinc/33/36/71/653333671.db2.gz MOEBOFWABYWRJV-NSHDSACASA-N 1 2 382.814 2.091 20 0 GEADLO C[C@]1(CCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1(Cl)Cl ZINC000836249291 653340749 /nfs/dbraw/zinc/34/07/49/653340749.db2.gz IROMKEUKBWLIIX-GJZGRUSLSA-N 1 2 396.384 2.468 20 0 GEADLO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000857890108 653342218 /nfs/dbraw/zinc/34/22/18/653342218.db2.gz PXERDBMKMJEWPN-DOMZBBRYSA-N 1 2 388.269 2.220 20 0 GEADLO COC(=O)NCCc1ccc(S(=O)(=O)N2c3cc[nH+]cc3C[C@@H]2C)s1 ZINC000857900087 653342610 /nfs/dbraw/zinc/34/26/10/653342610.db2.gz XQXXATIEUBRLFA-NSHDSACASA-N 1 2 381.479 2.182 20 0 GEADLO CNc1cc(I)ccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977303 653345699 /nfs/dbraw/zinc/34/56/99/653345699.db2.gz UVODVBFBTMZEKA-LLVKDONJSA-N 1 2 382.205 2.404 20 0 GEADLO Cn1cc(CNc2ccc[nH+]c2N2CCC(CO)CC2)c(Br)n1 ZINC000858153410 653351122 /nfs/dbraw/zinc/35/11/22/653351122.db2.gz LGJQWXOQYNJKAL-UHFFFAOYSA-N 1 2 380.290 2.398 20 0 GEADLO CNC(=O)C1([NH2+]Cc2cn(-c3ccccc3Br)nn2)CCCC1 ZINC000811492277 653394709 /nfs/dbraw/zinc/39/47/09/653394709.db2.gz ZVUOIAGPMNGGTR-UHFFFAOYSA-N 1 2 378.274 2.178 20 0 GEADLO O=C1NCC2(CC[NH+](Cc3cn(-c4ccccc4Br)nn3)CC2)O1 ZINC000811493235 653394767 /nfs/dbraw/zinc/39/47/67/653394767.db2.gz FZBNESMRQRDXMF-UHFFFAOYSA-N 1 2 392.257 2.104 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1Cl ZINC000859090779 653404405 /nfs/dbraw/zinc/40/44/05/653404405.db2.gz QYHKZFSAOOIXQB-GHMZBOCLSA-N 1 2 375.878 2.231 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1Cl ZINC000859090779 653404413 /nfs/dbraw/zinc/40/44/13/653404413.db2.gz QYHKZFSAOOIXQB-GHMZBOCLSA-N 1 2 375.878 2.231 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000837153892 653404784 /nfs/dbraw/zinc/40/47/84/653404784.db2.gz HFLIBLRPMQTPEF-WFASDCNBSA-N 1 2 378.270 2.400 20 0 GEADLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000859179877 653418355 /nfs/dbraw/zinc/41/83/55/653418355.db2.gz SVQCIQPGBMTMFS-SNVBAGLBSA-N 1 2 380.283 2.088 20 0 GEADLO CC[N@H+](CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)[C@H]1CCOC1 ZINC000812297046 653421005 /nfs/dbraw/zinc/42/10/05/653421005.db2.gz WTLFETDJQXGMCO-YOEHRIQHSA-N 1 2 396.285 2.284 20 0 GEADLO CC[N@@H+](CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)[C@H]1CCOC1 ZINC000812297046 653421013 /nfs/dbraw/zinc/42/10/13/653421013.db2.gz WTLFETDJQXGMCO-YOEHRIQHSA-N 1 2 396.285 2.284 20 0 GEADLO CCN(C1CC[NH+](Cc2nccc(C)c2Br)CC1)S(C)(=O)=O ZINC000876723273 653444128 /nfs/dbraw/zinc/44/41/28/653444128.db2.gz RDPVFYPYEABQEH-UHFFFAOYSA-N 1 2 390.347 2.398 20 0 GEADLO CC1(C)OCC(CO)([NH2+]CC(=O)Nc2ccccc2SC(F)F)CO1 ZINC000812838682 653444519 /nfs/dbraw/zinc/44/45/19/653444519.db2.gz SYVBEFNMCCETIX-UHFFFAOYSA-N 1 2 376.425 2.043 20 0 GEADLO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(Br)nc1F ZINC000859347116 653446094 /nfs/dbraw/zinc/44/60/94/653446094.db2.gz KYSJNSJLQDUSSB-LLVKDONJSA-N 1 2 392.294 2.278 20 0 GEADLO O=S(=O)(NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc(Br)nc1F ZINC000859347116 653446101 /nfs/dbraw/zinc/44/61/01/653446101.db2.gz KYSJNSJLQDUSSB-LLVKDONJSA-N 1 2 392.294 2.278 20 0 GEADLO O=C(/C=C/c1ccc(I)o1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779094630 653465926 /nfs/dbraw/zinc/46/59/26/653465926.db2.gz DLAOOXBDGDFPRZ-YWNRKNDBSA-N 1 2 383.189 2.225 20 0 GEADLO CO[C@H]1C[C@@H]2C[N@H+](Cc3cc(Br)nn3C)Cc3cccnc3N2C1 ZINC000877687438 653616923 /nfs/dbraw/zinc/61/69/23/653616923.db2.gz IQCLOWDEJXIWCU-CABCVRRESA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3cc(Br)nn3C)Cc3cccnc3N2C1 ZINC000877687438 653616926 /nfs/dbraw/zinc/61/69/26/653616926.db2.gz IQCLOWDEJXIWCU-CABCVRRESA-N 1 2 392.301 2.187 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877737551 653618216 /nfs/dbraw/zinc/61/82/16/653618216.db2.gz HFZOUDQFVLJFGU-HZSPNIEDSA-N 1 2 389.974 2.389 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877737551 653618217 /nfs/dbraw/zinc/61/82/17/653618217.db2.gz HFZOUDQFVLJFGU-HZSPNIEDSA-N 1 2 389.974 2.389 20 0 GEADLO OCC1(CO)CC[NH+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000877797674 653621057 /nfs/dbraw/zinc/62/10/57/653621057.db2.gz PEFPSPDSHOEPJM-UHFFFAOYSA-N 1 2 380.286 2.406 20 0 GEADLO C[C@]12C[N@H+](Cc3ccc(Cl)cc3-n3cncn3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877815936 653621660 /nfs/dbraw/zinc/62/16/60/653621660.db2.gz YIBJCLKCAPMEIJ-CALCHBBNSA-N 1 2 380.901 2.177 20 0 GEADLO C[C@]12C[N@@H+](Cc3ccc(Cl)cc3-n3cncn3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877815936 653621665 /nfs/dbraw/zinc/62/16/65/653621665.db2.gz YIBJCLKCAPMEIJ-CALCHBBNSA-N 1 2 380.901 2.177 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000877896678 653622612 /nfs/dbraw/zinc/62/26/12/653622612.db2.gz IGOCDZUVFMLJMX-SJKOYZFVSA-N 1 2 386.323 2.312 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)C[C@H]1C ZINC000860398556 653626083 /nfs/dbraw/zinc/62/60/83/653626083.db2.gz IJNJRBIMVBJTPR-LLVKDONJSA-N 1 2 379.258 2.076 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)C[C@H]1C ZINC000860398556 653626088 /nfs/dbraw/zinc/62/60/88/653626088.db2.gz IJNJRBIMVBJTPR-LLVKDONJSA-N 1 2 379.258 2.076 20 0 GEADLO C[C@@H](NC(=O)c1cn(C(C)(C)C)nc1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000780479674 653626525 /nfs/dbraw/zinc/62/65/25/653626525.db2.gz KRTDFESOJDVQGM-VXGBXAGGSA-N 1 2 387.322 2.240 20 0 GEADLO C[N@H+](C[C@H](O)c1cc(Br)no1)[C@H]1CCN(c2ccccc2)C1=O ZINC000878243742 653632464 /nfs/dbraw/zinc/63/24/64/653632464.db2.gz HNFITERUAVKLHY-STQMWFEESA-N 1 2 380.242 2.208 20 0 GEADLO C[N@@H+](C[C@H](O)c1cc(Br)no1)[C@H]1CCN(c2ccccc2)C1=O ZINC000878243742 653632466 /nfs/dbraw/zinc/63/24/66/653632466.db2.gz HNFITERUAVKLHY-STQMWFEESA-N 1 2 380.242 2.208 20 0 GEADLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878599978 653642183 /nfs/dbraw/zinc/64/21/83/653642183.db2.gz AEHIIQRRAZCBAZ-WDEREUQCSA-N 1 2 376.251 2.071 20 0 GEADLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878599978 653642184 /nfs/dbraw/zinc/64/21/84/653642184.db2.gz AEHIIQRRAZCBAZ-WDEREUQCSA-N 1 2 376.251 2.071 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839181010 653644091 /nfs/dbraw/zinc/64/40/91/653644091.db2.gz ZUAMFRRHXJVSTH-NSHDSACASA-N 1 2 377.436 2.451 20 0 GEADLO CC(C)S(=O)(=O)CC[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000878876483 653650268 /nfs/dbraw/zinc/65/02/68/653650268.db2.gz YKNZTLBLCJUFTJ-ZDUSSCGKSA-N 1 2 377.304 2.120 20 0 GEADLO CC(C)S(=O)(=O)CC[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000878876483 653650273 /nfs/dbraw/zinc/65/02/73/653650273.db2.gz YKNZTLBLCJUFTJ-ZDUSSCGKSA-N 1 2 377.304 2.120 20 0 GEADLO C[C@@H]1C[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C[C@H](CO)O1 ZINC000815100849 653651946 /nfs/dbraw/zinc/65/19/46/653651946.db2.gz VYJXDOSNOLXGNC-HCKVZZMMSA-N 1 2 378.694 2.392 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C[C@H](CO)O1 ZINC000815100849 653651947 /nfs/dbraw/zinc/65/19/47/653651947.db2.gz VYJXDOSNOLXGNC-HCKVZZMMSA-N 1 2 378.694 2.392 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)Cc1ccccc1I ZINC000782296480 653658688 /nfs/dbraw/zinc/65/86/88/653658688.db2.gz RUVHQTQZTFNWHT-GFCCVEGCSA-N 1 2 389.233 2.098 20 0 GEADLO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1csnn1 ZINC000839663379 653659585 /nfs/dbraw/zinc/65/95/85/653659585.db2.gz QOMGHWYHSXGDDF-VIFPVBQESA-N 1 2 379.511 2.257 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)[C@@H](C)C1 ZINC000861668877 653664180 /nfs/dbraw/zinc/66/41/80/653664180.db2.gz ZBRPWQFSZVVGFT-NSHDSACASA-N 1 2 379.258 2.076 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)[C@@H](C)C1 ZINC000861668877 653664182 /nfs/dbraw/zinc/66/41/82/653664182.db2.gz ZBRPWQFSZVVGFT-NSHDSACASA-N 1 2 379.258 2.076 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000839822924 653665758 /nfs/dbraw/zinc/66/57/58/653665758.db2.gz BFOJPPOTSHDHKB-DZGCQCFKSA-N 1 2 378.270 2.400 20 0 GEADLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000879332946 653666014 /nfs/dbraw/zinc/66/60/14/653666014.db2.gz NWFFWWSFCYLMLT-JTQLQIEISA-N 1 2 398.261 2.376 20 0 GEADLO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000879332946 653666017 /nfs/dbraw/zinc/66/60/17/653666017.db2.gz NWFFWWSFCYLMLT-JTQLQIEISA-N 1 2 398.261 2.376 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000839826245 653666126 /nfs/dbraw/zinc/66/61/26/653666126.db2.gz SGXZRRDXGZFSER-BBRMVZONSA-N 1 2 378.270 2.400 20 0 GEADLO COCC[N@H+](CN1CC[C@@H](c2cccc(Br)c2)C1=O)[C@H]1CCOC1 ZINC000840061652 653673183 /nfs/dbraw/zinc/67/31/83/653673183.db2.gz XTZRPUKNDYRTEU-IRXDYDNUSA-N 1 2 397.313 2.460 20 0 GEADLO COCC[N@@H+](CN1CC[C@@H](c2cccc(Br)c2)C1=O)[C@H]1CCOC1 ZINC000840061652 653673186 /nfs/dbraw/zinc/67/31/86/653673186.db2.gz XTZRPUKNDYRTEU-IRXDYDNUSA-N 1 2 397.313 2.460 20 0 GEADLO O=C(OCCCn1cc[nH+]c1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000783007151 653673416 /nfs/dbraw/zinc/67/34/16/653673416.db2.gz CRQPGEXBHGLDCC-CQSZACIVSA-N 1 2 383.495 2.121 20 0 GEADLO CS[C@H]1CC[N@H+](Cn2nc(N3CCOCC3)n(CC(F)(F)F)c2=S)C1 ZINC000840113282 653674982 /nfs/dbraw/zinc/67/49/82/653674982.db2.gz KYUCDVIINBVPHI-NSHDSACASA-N 1 2 397.492 2.208 20 0 GEADLO CS[C@H]1CC[N@@H+](Cn2nc(N3CCOCC3)n(CC(F)(F)F)c2=S)C1 ZINC000840113282 653674984 /nfs/dbraw/zinc/67/49/84/653674984.db2.gz KYUCDVIINBVPHI-NSHDSACASA-N 1 2 397.492 2.208 20 0 GEADLO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cn1cc(I)cn1 ZINC000840115354 653675020 /nfs/dbraw/zinc/67/50/20/653675020.db2.gz KQLCDIULPRGUFM-MELADBBJSA-N 1 2 375.254 2.461 20 0 GEADLO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cn1cc(I)cn1 ZINC000840115354 653675023 /nfs/dbraw/zinc/67/50/23/653675023.db2.gz KQLCDIULPRGUFM-MELADBBJSA-N 1 2 375.254 2.461 20 0 GEADLO O=C(c1cn2c(Br)cnc2s1)N1CC[NH+](CCCF)CC1 ZINC000862114204 653676071 /nfs/dbraw/zinc/67/60/71/653676071.db2.gz CTFXGZCWRDRLIO-UHFFFAOYSA-N 1 2 375.267 2.276 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cnc1Br ZINC000783330685 653677646 /nfs/dbraw/zinc/67/76/46/653677646.db2.gz PVAVMKDRNMDBND-CYBMUJFWSA-N 1 2 392.257 2.151 20 0 GEADLO CCOC(=O)c1cnn(C2CC[NH+](Cc3cn(C)nc3Br)CC2)c1 ZINC000862382903 653684898 /nfs/dbraw/zinc/68/48/98/653684898.db2.gz CMOTVLFPQUURDP-UHFFFAOYSA-N 1 2 396.289 2.393 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1cc(Cl)ccc1Cl ZINC000862644496 653690815 /nfs/dbraw/zinc/69/08/15/653690815.db2.gz NLPNNMBFDIWCGO-GOSISDBHSA-N 1 2 387.307 2.268 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1cc(Cl)ccc1Cl ZINC000862644496 653690818 /nfs/dbraw/zinc/69/08/18/653690818.db2.gz NLPNNMBFDIWCGO-GOSISDBHSA-N 1 2 387.307 2.268 20 0 GEADLO C[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000879998794 653691589 /nfs/dbraw/zinc/69/15/89/653691589.db2.gz AHNQJHMSPTYPCJ-OAHLLOKOSA-N 1 2 375.416 2.477 20 0 GEADLO C[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000879998794 653691592 /nfs/dbraw/zinc/69/15/92/653691592.db2.gz AHNQJHMSPTYPCJ-OAHLLOKOSA-N 1 2 375.416 2.477 20 0 GEADLO CCS(=O)(=O)CC[N@H+]1C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000880023713 653692738 /nfs/dbraw/zinc/69/27/38/653692738.db2.gz BMKYAEATLYBRDO-RYUDHWBXSA-N 1 2 388.452 2.056 20 0 GEADLO CCS(=O)(=O)CC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000880023713 653692739 /nfs/dbraw/zinc/69/27/39/653692739.db2.gz BMKYAEATLYBRDO-RYUDHWBXSA-N 1 2 388.452 2.056 20 0 GEADLO C[N@H+](CCNC(=O)c1cc(S(C)(=O)=O)ncc1Cl)Cc1ccccc1 ZINC000816898029 653695302 /nfs/dbraw/zinc/69/53/02/653695302.db2.gz RKCCIMCPVUCLAO-UHFFFAOYSA-N 1 2 381.885 2.000 20 0 GEADLO C[N@@H+](CCNC(=O)c1cc(S(C)(=O)=O)ncc1Cl)Cc1ccccc1 ZINC000816898029 653695305 /nfs/dbraw/zinc/69/53/05/653695305.db2.gz RKCCIMCPVUCLAO-UHFFFAOYSA-N 1 2 381.885 2.000 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccc(Cl)c(Cl)c1 ZINC000863038516 653700887 /nfs/dbraw/zinc/70/08/87/653700887.db2.gz WFQLGLWKUPZJNJ-NEPJUHHUSA-N 1 2 389.308 2.269 20 0 GEADLO CC[C@@H](NC(=S)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)c1cccs1 ZINC000863209953 653703526 /nfs/dbraw/zinc/70/35/26/653703526.db2.gz GZYCQVIVVMZPNI-RDTXWAMCSA-N 1 2 383.583 2.279 20 0 GEADLO CC[C@@H](NC(=S)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)c1cccs1 ZINC000863209953 653703528 /nfs/dbraw/zinc/70/35/28/653703528.db2.gz GZYCQVIVVMZPNI-RDTXWAMCSA-N 1 2 383.583 2.279 20 0 GEADLO BrC1(Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000863304732 653706010 /nfs/dbraw/zinc/70/60/10/653706010.db2.gz MVFMHAPIWSTYQA-AWEZNQCLSA-N 1 2 378.274 2.174 20 0 GEADLO BrC1(Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000863304732 653706012 /nfs/dbraw/zinc/70/60/12/653706012.db2.gz MVFMHAPIWSTYQA-AWEZNQCLSA-N 1 2 378.274 2.174 20 0 GEADLO O=C(NCc1cc(=O)[nH]c(=S)[nH]1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000880512103 653707239 /nfs/dbraw/zinc/70/72/39/653707239.db2.gz UJYLNBYSRHJWLZ-CQSZACIVSA-N 1 2 378.885 2.405 20 0 GEADLO O=C(NCc1cc(=O)[nH]c(=S)[nH]1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000880512103 653707241 /nfs/dbraw/zinc/70/72/41/653707241.db2.gz UJYLNBYSRHJWLZ-CQSZACIVSA-N 1 2 378.885 2.405 20 0 GEADLO C[C@@H](SCc1cc(Cl)n(C)n1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000863404220 653709570 /nfs/dbraw/zinc/70/95/70/653709570.db2.gz ZPIDCWMACUMQHV-CYBMUJFWSA-N 1 2 379.917 2.439 20 0 GEADLO Cn1nc(Br)cc1C[NH2+][C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000785501872 653710774 /nfs/dbraw/zinc/71/07/74/653710774.db2.gz DZIPXSHNJSRCJT-SNVBAGLBSA-N 1 2 395.265 2.228 20 0 GEADLO O=C(C1=COCCO1)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000841349394 653713625 /nfs/dbraw/zinc/71/36/25/653713625.db2.gz YRVTXIWDOCNHJG-UHFFFAOYSA-N 1 2 393.241 2.352 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817541742 653713852 /nfs/dbraw/zinc/71/38/52/653713852.db2.gz DDRXKXBAPYHXNG-LBPRGKRZSA-N 1 2 397.249 2.237 20 0 GEADLO COc1cccc(C[C@@H]([NH3+])c2nc(-c3ccc(S(C)(=O)=O)s3)no2)c1 ZINC000863678460 653718607 /nfs/dbraw/zinc/71/86/07/653718607.db2.gz VRDICMDYCDEGGF-GFCCVEGCSA-N 1 2 379.463 2.453 20 0 GEADLO CC[C@@H](C(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC)c1ccc(Br)cc1 ZINC000863907147 653722089 /nfs/dbraw/zinc/72/20/89/653722089.db2.gz BQXJAZZTIDZYJF-CABCVRRESA-N 1 2 394.269 2.497 20 0 GEADLO CC[C@H](C(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC)c1ccc(Br)cc1 ZINC000863907148 653722109 /nfs/dbraw/zinc/72/21/09/653722109.db2.gz BQXJAZZTIDZYJF-GJZGRUSLSA-N 1 2 394.269 2.497 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CCn3c[nH+]cc3C2)c(F)cc1Cl ZINC000841522055 653726492 /nfs/dbraw/zinc/72/64/92/653726492.db2.gz REQORNWNHPWNRP-UHFFFAOYSA-N 1 2 387.820 2.057 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(S(C)(=O)=O)s2)c1C ZINC000786732785 653727462 /nfs/dbraw/zinc/72/74/62/653727462.db2.gz UFYFLYNGOTYHDF-UHFFFAOYSA-N 1 2 383.495 2.171 20 0 GEADLO CCCS(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000786890623 653730353 /nfs/dbraw/zinc/73/03/53/653730353.db2.gz SASDTAHPARQEJQ-UHFFFAOYSA-N 1 2 376.320 2.353 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000787088956 653734354 /nfs/dbraw/zinc/73/43/54/653734354.db2.gz YLGIRXRNEGLIPP-LBPRGKRZSA-N 1 2 378.274 2.428 20 0 GEADLO Cn1ncc(Br)c1C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000787088956 653734356 /nfs/dbraw/zinc/73/43/56/653734356.db2.gz YLGIRXRNEGLIPP-LBPRGKRZSA-N 1 2 378.274 2.428 20 0 GEADLO C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)NCCCn1cc[nH+]c1 ZINC000864414748 653735311 /nfs/dbraw/zinc/73/53/11/653735311.db2.gz WJLYYYHPLVVGER-QGZVFWFLSA-N 1 2 395.301 2.329 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000841574526 653737006 /nfs/dbraw/zinc/73/70/06/653737006.db2.gz XQTABBJSCJPEHP-GHMZBOCLSA-N 1 2 389.930 2.025 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000841574526 653737010 /nfs/dbraw/zinc/73/70/10/653737010.db2.gz XQTABBJSCJPEHP-GHMZBOCLSA-N 1 2 389.930 2.025 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000841574536 653737067 /nfs/dbraw/zinc/73/70/67/653737067.db2.gz XQTABBJSCJPEHP-WDEREUQCSA-N 1 2 389.930 2.025 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000841574536 653737070 /nfs/dbraw/zinc/73/70/70/653737070.db2.gz XQTABBJSCJPEHP-WDEREUQCSA-N 1 2 389.930 2.025 20 0 GEADLO O[C@H](C[NH2+]Cc1nc(C2CC2)no1)COc1cc(F)cc(Br)c1 ZINC000818965853 653739702 /nfs/dbraw/zinc/73/97/02/653739702.db2.gz LGYIURGBDDPBBY-GFCCVEGCSA-N 1 2 386.221 2.378 20 0 GEADLO Cc1cnn(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1 ZINC000787537343 653739881 /nfs/dbraw/zinc/73/98/81/653739881.db2.gz VYOUKWCDYNAFJO-UHFFFAOYSA-N 1 2 392.301 2.345 20 0 GEADLO CCOC(=O)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787674266 653741903 /nfs/dbraw/zinc/74/19/03/653741903.db2.gz JRASMTWYYQANIZ-UHFFFAOYSA-N 1 2 384.274 2.093 20 0 GEADLO COCC[N@H+](CCC(=O)OC)Cc1ccc(F)cc1I ZINC000841843791 653742212 /nfs/dbraw/zinc/74/22/12/653742212.db2.gz RODDXCYNTWGMMP-UHFFFAOYSA-N 1 2 395.212 2.442 20 0 GEADLO COCC[N@@H+](CCC(=O)OC)Cc1ccc(F)cc1I ZINC000841843791 653742213 /nfs/dbraw/zinc/74/22/13/653742213.db2.gz RODDXCYNTWGMMP-UHFFFAOYSA-N 1 2 395.212 2.442 20 0 GEADLO Cn1cc(I)c(C[NH2+]C[C@H](O)c2ccc(F)cc2F)n1 ZINC000819353102 653749570 /nfs/dbraw/zinc/74/95/70/653749570.db2.gz ABGHFRNZZUFJHS-ZDUSSCGKSA-N 1 2 393.175 2.126 20 0 GEADLO Cn1cc(I)c(C[NH2+]C[C@@H](O)c2cc(F)ccc2F)n1 ZINC000819354501 653749771 /nfs/dbraw/zinc/74/97/71/653749771.db2.gz HOLTYHXXEBHVOW-CYBMUJFWSA-N 1 2 393.175 2.126 20 0 GEADLO Cn1cc(I)c(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)n1 ZINC000819353195 653749815 /nfs/dbraw/zinc/74/98/15/653749815.db2.gz AQNCMSCFWNTZMU-ZDUSSCGKSA-N 1 2 393.175 2.126 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000864983907 653750332 /nfs/dbraw/zinc/75/03/32/653750332.db2.gz ACYWHHCZWATUNZ-DJYNDVHFSA-N 1 2 381.270 2.277 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000864983909 653750392 /nfs/dbraw/zinc/75/03/92/653750392.db2.gz ACYWHHCZWATUNZ-YLSAJCSVSA-N 1 2 381.270 2.277 20 0 GEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1ccc(Br)cc1=O ZINC000864985428 653750404 /nfs/dbraw/zinc/75/04/04/653750404.db2.gz JULUCUCOQXAGTQ-CYBMUJFWSA-N 1 2 381.274 2.038 20 0 GEADLO COc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cnc1Br ZINC000788137443 653750580 /nfs/dbraw/zinc/75/05/80/653750580.db2.gz WSKLMCAKJQPPAE-UHFFFAOYSA-N 1 2 377.242 2.210 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000865202545 653757112 /nfs/dbraw/zinc/75/71/12/653757112.db2.gz MBWUWKCKWINBDE-QRVDHSFSSA-N 1 2 392.341 2.087 20 0 GEADLO Cn1cc(N2CC[C@@H]([NH2+]Cc3cc(Br)cnc3Cl)C2=O)cn1 ZINC000842683244 653762830 /nfs/dbraw/zinc/76/28/30/653762830.db2.gz IADQVKWPAMMYHS-GFCCVEGCSA-N 1 2 384.665 2.126 20 0 GEADLO O=C(C[NH2+]Cc1cccnc1Br)N1CCN(c2ccccc2)CC1 ZINC000865434639 653765352 /nfs/dbraw/zinc/76/53/52/653765352.db2.gz OIUGZTIMJXSJBO-UHFFFAOYSA-N 1 2 389.297 2.283 20 0 GEADLO Cc1ccnc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)c1Br ZINC000865461193 653765866 /nfs/dbraw/zinc/76/58/66/653765866.db2.gz XWVNQVQHQCTWHG-CYBMUJFWSA-N 1 2 393.207 2.426 20 0 GEADLO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2c(Cl)cncc2Cl)cc1 ZINC000865540878 653767967 /nfs/dbraw/zinc/76/79/67/653767967.db2.gz CPMKYKSWFKYEPI-UHFFFAOYSA-N 1 2 375.277 2.444 20 0 GEADLO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000865791985 653775191 /nfs/dbraw/zinc/77/51/91/653775191.db2.gz OJCCUOPYKZSPJL-NSHDSACASA-N 1 2 388.281 2.050 20 0 GEADLO C[C@H](CNC(=O)Cc1ccc(Br)cc1Cl)[NH+]1CCN(C)CC1 ZINC000865816949 653776068 /nfs/dbraw/zinc/77/60/68/653776068.db2.gz VCSOMZOLAZREOK-GFCCVEGCSA-N 1 2 388.737 2.397 20 0 GEADLO COc1ccc(C[NH2+]Cc2c(I)cnn2C)cc1F ZINC000865868563 653778118 /nfs/dbraw/zinc/77/81/18/653778118.db2.gz QJKNRJKQSCFCRT-UHFFFAOYSA-N 1 2 375.185 2.462 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(Br)no1 ZINC000865896936 653779061 /nfs/dbraw/zinc/77/90/61/653779061.db2.gz SRUYATXMUPOARD-ZDUSSCGKSA-N 1 2 380.242 2.068 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(Br)no1 ZINC000865896936 653779063 /nfs/dbraw/zinc/77/90/63/653779063.db2.gz SRUYATXMUPOARD-ZDUSSCGKSA-N 1 2 380.242 2.068 20 0 GEADLO CCC[C@H](CCCS(C)(=O)=O)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000789960313 653783667 /nfs/dbraw/zinc/78/36/67/653783667.db2.gz AAOLXNPLRGAZOO-CQSZACIVSA-N 1 2 382.517 2.415 20 0 GEADLO CCC[C@H](CCCS(C)(=O)=O)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000789960313 653783668 /nfs/dbraw/zinc/78/36/68/653783668.db2.gz AAOLXNPLRGAZOO-CQSZACIVSA-N 1 2 382.517 2.415 20 0 GEADLO COCCn1nnc2c1CC[N@H+](Cc1cc(Br)cnc1Cl)C2 ZINC000843410414 653786357 /nfs/dbraw/zinc/78/63/57/653786357.db2.gz YJCCKNCYUUMOPC-UHFFFAOYSA-N 1 2 386.681 2.294 20 0 GEADLO COCCn1nnc2c1CC[N@@H+](Cc1cc(Br)cnc1Cl)C2 ZINC000843410414 653786358 /nfs/dbraw/zinc/78/63/58/653786358.db2.gz YJCCKNCYUUMOPC-UHFFFAOYSA-N 1 2 386.681 2.294 20 0 GEADLO C[C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)Oc1ccccc1Br ZINC000866353224 653791358 /nfs/dbraw/zinc/79/13/58/653791358.db2.gz DYUXQXUTRQIPQA-GBXSZLQWSA-N 1 2 383.286 2.221 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)Cc1noc2ccc(Br)cc21 ZINC000821339457 653795374 /nfs/dbraw/zinc/79/53/74/653795374.db2.gz XXJOGWPVEZDYFS-NSHDSACASA-N 1 2 383.242 2.397 20 0 GEADLO Cc1nn(C)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1Br ZINC000821664268 653803009 /nfs/dbraw/zinc/80/30/09/653803009.db2.gz KSBBUKDMZRUEOI-CQSZACIVSA-N 1 2 393.285 2.331 20 0 GEADLO Cc1nn(C)c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Br ZINC000821664268 653803014 /nfs/dbraw/zinc/80/30/14/653803014.db2.gz KSBBUKDMZRUEOI-CQSZACIVSA-N 1 2 393.285 2.331 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000844382808 653805703 /nfs/dbraw/zinc/80/57/03/653805703.db2.gz KHZQZOFODKGFEA-UHFFFAOYSA-N 1 2 389.411 2.109 20 0 GEADLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000882765434 653805920 /nfs/dbraw/zinc/80/59/20/653805920.db2.gz ZQWFMJTVNFSYAY-OCCSQVGLSA-N 1 2 376.906 2.126 20 0 GEADLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000882765434 653805923 /nfs/dbraw/zinc/80/59/23/653805923.db2.gz ZQWFMJTVNFSYAY-OCCSQVGLSA-N 1 2 376.906 2.126 20 0 GEADLO C[C@H](C[N@@H+](C)Cc1cn(C)nc1I)C(=O)OC(C)(C)C ZINC000894985547 653811393 /nfs/dbraw/zinc/81/13/93/653811393.db2.gz QQKPWKACXNSCCP-SNVBAGLBSA-N 1 2 393.269 2.434 20 0 GEADLO C[C@H](c1ccccc1)[NH+]1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000882811329 653810236 /nfs/dbraw/zinc/81/02/36/653810236.db2.gz SNRJRUYRZQOXSA-CYBMUJFWSA-N 1 2 377.286 2.426 20 0 GEADLO C[C@H](C[N@H+](C)Cc1cn(C)nc1I)C(=O)OC(C)(C)C ZINC000894985547 653811391 /nfs/dbraw/zinc/81/13/91/653811391.db2.gz QQKPWKACXNSCCP-SNVBAGLBSA-N 1 2 393.269 2.434 20 0 GEADLO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000866762148 653821183 /nfs/dbraw/zinc/82/11/83/653821183.db2.gz JMUBKVUKVPKCLQ-LBPRGKRZSA-N 1 2 395.897 2.075 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@]2(CC2(F)F)C1 ZINC000844912857 653829016 /nfs/dbraw/zinc/82/90/16/653829016.db2.gz QBGONXUMJRTVMU-JKSUJKDBSA-N 1 2 375.485 2.025 20 0 GEADLO COCC[N@@H+]1CCN(C(=O)c2sc(Br)nc2C)C(C)(C)C1 ZINC000844950036 653830421 /nfs/dbraw/zinc/83/04/21/653830421.db2.gz ZOSWXNZBURJPEX-UHFFFAOYSA-N 1 2 376.320 2.397 20 0 GEADLO COCC[N@H+]1CCN(C(=O)c2sc(Br)nc2C)C(C)(C)C1 ZINC000844950036 653830423 /nfs/dbraw/zinc/83/04/23/653830423.db2.gz ZOSWXNZBURJPEX-UHFFFAOYSA-N 1 2 376.320 2.397 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3csc(Br)n3)cc2C1 ZINC000822536254 653831079 /nfs/dbraw/zinc/83/10/79/653831079.db2.gz LBBPVUGDPFSXMV-UHFFFAOYSA-N 1 2 395.282 2.001 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3csc(Br)n3)cc2C1 ZINC000822536254 653831086 /nfs/dbraw/zinc/83/10/86/653831086.db2.gz LBBPVUGDPFSXMV-UHFFFAOYSA-N 1 2 395.282 2.001 20 0 GEADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cn(C)nc3I)C2)nc1 ZINC000895405539 653832843 /nfs/dbraw/zinc/83/28/43/653832843.db2.gz KPTWGECRMKDORX-CYBMUJFWSA-N 1 2 398.248 2.381 20 0 GEADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cn(C)nc3I)C2)nc1 ZINC000895405539 653832846 /nfs/dbraw/zinc/83/28/46/653832846.db2.gz KPTWGECRMKDORX-CYBMUJFWSA-N 1 2 398.248 2.381 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)Cc2cscc2Br)CCO1 ZINC000883271220 653833638 /nfs/dbraw/zinc/83/36/38/653833638.db2.gz IFPHPTZVMJBVCY-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)Cc2cscc2Br)CCO1 ZINC000883271220 653833640 /nfs/dbraw/zinc/83/36/40/653833640.db2.gz IFPHPTZVMJBVCY-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO O=C1NCCn2c(C[NH2+][C@@H](c3ccc(Br)cc3)C3CC3)nnc21 ZINC000883303790 653834864 /nfs/dbraw/zinc/83/48/64/653834864.db2.gz GQMXMTKGPMOZRU-CQSZACIVSA-N 1 2 376.258 2.025 20 0 GEADLO O=C1NCCn2c(C[NH2+][C@H](c3ccc(Br)s3)C3CC3)nnc21 ZINC000883304476 653835236 /nfs/dbraw/zinc/83/52/36/653835236.db2.gz XYGPFNLGGNXROL-LBPRGKRZSA-N 1 2 382.287 2.086 20 0 GEADLO Cn1ccn2c(C[NH2+][C@@H]3CCc4sc(Br)cc43)nnc2c1=O ZINC000883335866 653836246 /nfs/dbraw/zinc/83/62/46/653836246.db2.gz BWTXZVXYHRQGPM-SECBINFHSA-N 1 2 380.271 2.029 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1cscc1Br ZINC000883347493 653836512 /nfs/dbraw/zinc/83/65/12/653836512.db2.gz SWZIJIRDIOVJKU-GFCCVEGCSA-N 1 2 389.363 2.288 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(S(N)(=O)=O)cc2F)n1 ZINC000822702323 653836954 /nfs/dbraw/zinc/83/69/54/653836954.db2.gz WSVUOVUXTHOINL-UHFFFAOYSA-N 1 2 386.474 2.024 20 0 GEADLO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3nc(Br)nn3C)C2)cc1F ZINC000895505228 653838417 /nfs/dbraw/zinc/83/84/17/653838417.db2.gz PPDTXASHWMFNLP-SNVBAGLBSA-N 1 2 398.236 2.008 20 0 GEADLO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3nc(Br)nn3C)C2)cc1C ZINC000895501945 653838425 /nfs/dbraw/zinc/83/84/25/653838425.db2.gz LQMIOKFFDCZSOS-ZDUSSCGKSA-N 1 2 378.274 2.477 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2csc(Br)n2)cn1 ZINC000822779354 653840133 /nfs/dbraw/zinc/84/01/33/653840133.db2.gz UTMFKQFWBDKXFN-UHFFFAOYSA-N 1 2 395.286 2.178 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CC(Cc3cccc(Br)c3)C2)o1 ZINC000895612868 653843444 /nfs/dbraw/zinc/84/34/44/653843444.db2.gz DWFQGPHGKKLDGA-UHFFFAOYSA-N 1 2 385.283 2.364 20 0 GEADLO O=C(OCc1ccccc1)N1CC([NH2+]Cc2cnc(Br)cn2)C1 ZINC000895643667 653844594 /nfs/dbraw/zinc/84/45/94/653844594.db2.gz RAFIOLDTJCRELO-UHFFFAOYSA-N 1 2 377.242 2.350 20 0 GEADLO CO[C@@]1(CNc2nc(C)[nH+]c(NC[C@]3(OC)CCSC3)n2)CCSC1 ZINC000895751551 653848542 /nfs/dbraw/zinc/84/85/42/653848542.db2.gz SJGYCERUUVSUID-HZPDHXFCSA-N 1 2 385.559 2.048 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000866920843 653849939 /nfs/dbraw/zinc/84/99/39/653849939.db2.gz XTJFYAKIMFLVHY-RDJZCZTQSA-N 1 2 387.571 2.239 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000866920843 653849942 /nfs/dbraw/zinc/84/99/42/653849942.db2.gz XTJFYAKIMFLVHY-RDJZCZTQSA-N 1 2 387.571 2.239 20 0 GEADLO C[C@]1(CS(=O)(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1(Cl)Cl ZINC000866970085 653857706 /nfs/dbraw/zinc/85/77/06/653857706.db2.gz XSUWSUGJJICIPA-BFHYXJOUSA-N 1 2 385.357 2.133 20 0 GEADLO CCCN1C(=O)CC[C@@H](C(=O)NC[C@H]2CC2(Cl)Cl)[C@@H]1c1c[nH+]cn1C ZINC000792980140 653858771 /nfs/dbraw/zinc/85/87/71/653858771.db2.gz ORAJIZABHVGQEB-LALPHHSUSA-N 1 2 387.311 2.420 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)Nc1cnn(-c2ccccc2Br)c1 ZINC000866982007 653859486 /nfs/dbraw/zinc/85/94/86/653859486.db2.gz IYFWPOLMISTMMQ-UTCJRWHESA-N 1 2 391.269 2.462 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000793251388 653872132 /nfs/dbraw/zinc/87/21/32/653872132.db2.gz QSKNYTUENFPAJR-ZDUSSCGKSA-N 1 2 392.253 2.321 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000793249807 653872161 /nfs/dbraw/zinc/87/21/61/653872161.db2.gz CKFLPQXKJVXBIY-LBPRGKRZSA-N 1 2 392.253 2.321 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N[C@H]1CCn2c[nH+]cc2C1 ZINC000823628140 653874623 /nfs/dbraw/zinc/87/46/23/653874623.db2.gz SQEJAPZYUONAOC-SMDDNHRTSA-N 1 2 389.253 2.203 20 0 GEADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=S)NCC(N)=O ZINC000793345019 653875765 /nfs/dbraw/zinc/87/57/65/653875765.db2.gz ZOHVPFSBRNBWHK-MRXNPFEDSA-N 1 2 382.961 2.232 20 0 GEADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=S)NCC(N)=O ZINC000793345019 653875769 /nfs/dbraw/zinc/87/57/69/653875769.db2.gz ZOHVPFSBRNBWHK-MRXNPFEDSA-N 1 2 382.961 2.232 20 0 GEADLO COC(=O)N[C@H]1CC[N@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000884485224 653878391 /nfs/dbraw/zinc/87/83/91/653878391.db2.gz QUDQNJBASMSUFS-AWEZNQCLSA-N 1 2 394.273 2.404 20 0 GEADLO COC(=O)N[C@H]1CC[N@@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000884485224 653878395 /nfs/dbraw/zinc/87/83/95/653878395.db2.gz QUDQNJBASMSUFS-AWEZNQCLSA-N 1 2 394.273 2.404 20 0 GEADLO C[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896537437 653882969 /nfs/dbraw/zinc/88/29/69/653882969.db2.gz YQEPMKBUBRVKAG-BJJXKVORSA-N 1 2 396.329 2.066 20 0 GEADLO C[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CN(C)CC[N@H+]1C ZINC000896537437 653882972 /nfs/dbraw/zinc/88/29/72/653882972.db2.gz YQEPMKBUBRVKAG-BJJXKVORSA-N 1 2 396.329 2.066 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896544869 653884145 /nfs/dbraw/zinc/88/41/45/653884145.db2.gz NBZVZGLZFOTPDD-KOLCDFICSA-N 1 2 378.514 2.059 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896544869 653884149 /nfs/dbraw/zinc/88/41/49/653884149.db2.gz NBZVZGLZFOTPDD-KOLCDFICSA-N 1 2 378.514 2.059 20 0 GEADLO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCc2c([nH+]cn2CC)C1 ZINC000896658435 653889627 /nfs/dbraw/zinc/88/96/27/653889627.db2.gz CJTMSSRFNNFEHR-UHFFFAOYSA-N 1 2 383.905 2.016 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NO[C@H](CO)C(C)C)[nH+]c12 ZINC000824498787 653898283 /nfs/dbraw/zinc/89/82/83/653898283.db2.gz GGTGBYOXUKOBQQ-CQSZACIVSA-N 1 2 399.289 2.195 20 0 GEADLO Cc1[nH]c(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)[nH+]c1C ZINC000896927046 653899614 /nfs/dbraw/zinc/89/96/14/653899614.db2.gz JJGPHJKOCLFODZ-GFCCVEGCSA-N 1 2 391.269 2.458 20 0 GEADLO O=C1N[C@H](C2CC[NH+](Cc3cnc4ccc(Br)cn34)CC2)CO1 ZINC000897027282 653904353 /nfs/dbraw/zinc/90/43/53/653904353.db2.gz QMPIZRBCIZWXPM-AWEZNQCLSA-N 1 2 379.258 2.417 20 0 GEADLO Cn1nc(Br)cc1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824838607 653910076 /nfs/dbraw/zinc/91/00/76/653910076.db2.gz PTWHRTXBVGMQNI-UWVGGRQHSA-N 1 2 395.223 2.025 20 0 GEADLO Cn1nc(Br)cc1C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824838607 653910079 /nfs/dbraw/zinc/91/00/79/653910079.db2.gz PTWHRTXBVGMQNI-UWVGGRQHSA-N 1 2 395.223 2.025 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000824951708 653913247 /nfs/dbraw/zinc/91/32/47/653913247.db2.gz YZNVEVJMRLLLMO-NWDGAFQWSA-N 1 2 385.306 2.202 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000824951708 653913250 /nfs/dbraw/zinc/91/32/50/653913250.db2.gz YZNVEVJMRLLLMO-NWDGAFQWSA-N 1 2 385.306 2.202 20 0 GEADLO Cc1noc2ncc(C[N@@H+]3CCn4ncc(I)c4C3)cc12 ZINC000897289264 653914261 /nfs/dbraw/zinc/91/42/61/653914261.db2.gz OBJGNHAOUXRNQB-UHFFFAOYSA-N 1 2 395.204 2.348 20 0 GEADLO Cc1noc2ncc(C[N@H+]3CCn4ncc(I)c4C3)cc12 ZINC000897289264 653914264 /nfs/dbraw/zinc/91/42/64/653914264.db2.gz OBJGNHAOUXRNQB-UHFFFAOYSA-N 1 2 395.204 2.348 20 0 GEADLO CCOc1cncc(C[N@@H+]2CCn3ncc(I)c3C2)c1 ZINC000897289068 653914494 /nfs/dbraw/zinc/91/44/94/653914494.db2.gz CDDCXKFPOTWSHM-UHFFFAOYSA-N 1 2 384.221 2.297 20 0 GEADLO CCOc1cncc(C[N@H+]2CCn3ncc(I)c3C2)c1 ZINC000897289068 653914495 /nfs/dbraw/zinc/91/44/95/653914495.db2.gz CDDCXKFPOTWSHM-UHFFFAOYSA-N 1 2 384.221 2.297 20 0 GEADLO CN(Cc1ccns1)C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000897348460 653917363 /nfs/dbraw/zinc/91/73/63/653917363.db2.gz GBQIYBCFANRJRE-HNNXBMFYSA-N 1 2 380.901 2.174 20 0 GEADLO COc1ccc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc1Br ZINC000847177702 653919185 /nfs/dbraw/zinc/91/91/85/653919185.db2.gz KBHQSLLISWSOJI-SDDRHHMPSA-N 1 2 386.290 2.080 20 0 GEADLO COc1ccc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc1Br ZINC000847177702 653919187 /nfs/dbraw/zinc/91/91/87/653919187.db2.gz KBHQSLLISWSOJI-SDDRHHMPSA-N 1 2 386.290 2.080 20 0 GEADLO CCn1ncc(C(=O)N2CC[NH2+][C@H](c3cccc(OC)c3)C2)c1Br ZINC000825208747 653920956 /nfs/dbraw/zinc/92/09/56/653920956.db2.gz PVGMMHWQXMTLLK-HNNXBMFYSA-N 1 2 393.285 2.461 20 0 GEADLO COc1cccc([C@@H]2CN(C(=O)c3cc(N)nc(Br)c3)CC[NH2+]2)c1 ZINC000825207096 653920978 /nfs/dbraw/zinc/92/09/78/653920978.db2.gz CIVUJYDISRRINY-AWEZNQCLSA-N 1 2 391.269 2.222 20 0 GEADLO O=C(COCCc1ccc(Br)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000897448298 653922030 /nfs/dbraw/zinc/92/20/30/653922030.db2.gz IEANQNBZMTWREX-HNNXBMFYSA-N 1 2 378.270 2.336 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000897514162 653925113 /nfs/dbraw/zinc/92/51/13/653925113.db2.gz XMELHFJWYXMUGJ-UHFFFAOYSA-N 1 2 383.279 2.445 20 0 GEADLO CN(C)c1cc(N[C@@H](CO)c2ccccc2I)[nH+]cn1 ZINC000897558331 653927190 /nfs/dbraw/zinc/92/71/90/653927190.db2.gz YHUMDPHHMXKWFE-LBPRGKRZSA-N 1 2 384.221 2.293 20 0 GEADLO CN(C)c1cc(N[C@@H](CO)c2ccccc2I)nc[nH+]1 ZINC000897558331 653927192 /nfs/dbraw/zinc/92/71/92/653927192.db2.gz YHUMDPHHMXKWFE-LBPRGKRZSA-N 1 2 384.221 2.293 20 0 GEADLO O=C(Nc1cccc(Br)c1F)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000825492896 653931343 /nfs/dbraw/zinc/93/13/43/653931343.db2.gz PQQIZJQORJBYEU-RISCZKNCSA-N 1 2 387.249 2.407 20 0 GEADLO O=C(c1cnc(Cl)c(Br)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000847530162 653932730 /nfs/dbraw/zinc/93/27/30/653932730.db2.gz QRHBSAAPPQWZBA-GFCCVEGCSA-N 1 2 388.693 2.434 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000847540249 653932998 /nfs/dbraw/zinc/93/29/98/653932998.db2.gz ZTGRTSZWJJZSJP-NSHDSACASA-N 1 2 385.873 2.304 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000847540249 653933001 /nfs/dbraw/zinc/93/30/01/653933001.db2.gz ZTGRTSZWJJZSJP-NSHDSACASA-N 1 2 385.873 2.304 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)NCc1cc2cc(Br)ccc2[nH]1 ZINC000867448877 653933690 /nfs/dbraw/zinc/93/36/90/653933690.db2.gz KHOLPYQKYLNOTJ-UPHRSURJSA-N 1 2 378.270 2.435 20 0 GEADLO CC(C)c1cc(=O)[nH]c(N2CC[C@H]([NH2+]Cc3cn(C)nc3Br)C2)n1 ZINC000897706242 653934069 /nfs/dbraw/zinc/93/40/69/653934069.db2.gz LNDGGRROLTWFKF-LBPRGKRZSA-N 1 2 395.305 2.170 20 0 GEADLO CC(C)c1cc(=O)[nH]c(N2CC[C@H]([NH2+]Cc3c(Br)cnn3C)C2)n1 ZINC000897703357 653934300 /nfs/dbraw/zinc/93/43/00/653934300.db2.gz BNMXPUHAGDMHFE-NSHDSACASA-N 1 2 395.305 2.170 20 0 GEADLO CCOC(=O)C1([C@H](C)[NH2+]Cc2ncc(Br)cc2O)CCOCC1 ZINC000897738032 653935297 /nfs/dbraw/zinc/93/52/97/653935297.db2.gz YAPJHLUQHVUYEF-NSHDSACASA-N 1 2 387.274 2.388 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)C(C)(C)C1 ZINC000867466350 653936528 /nfs/dbraw/zinc/93/65/28/653936528.db2.gz PMYXTYUSYKDGTK-UHFFFAOYSA-N 1 2 382.313 2.120 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)C(C)(C)C1 ZINC000867466350 653936536 /nfs/dbraw/zinc/93/65/36/653936536.db2.gz PMYXTYUSYKDGTK-UHFFFAOYSA-N 1 2 382.313 2.120 20 0 GEADLO Cc1nc(N2CCN(C(=O)c3cnc(F)c(Br)c3)CC2)cc[nH+]1 ZINC000847733814 653943069 /nfs/dbraw/zinc/94/30/69/653943069.db2.gz RVBGBAWLOQWRAZ-UHFFFAOYSA-N 1 2 380.221 2.044 20 0 GEADLO CC(C)(C)n1ncc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1Br ZINC000825927279 653943970 /nfs/dbraw/zinc/94/39/70/653943970.db2.gz AWACTAIYUWVLQQ-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO CC(C)(C)n1ncc(C(=O)NCC[N@H+]2CCOCC2(C)C)c1Br ZINC000825927279 653943972 /nfs/dbraw/zinc/94/39/72/653943972.db2.gz AWACTAIYUWVLQQ-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000897978711 653947708 /nfs/dbraw/zinc/94/77/08/653947708.db2.gz UJGBOQZYQBWMHO-AWEZNQCLSA-N 1 2 376.258 2.030 20 0 GEADLO CN(C[C@H]1CCC[N@H+](Cn2c3ccccc3n(C)c2=S)C1)S(C)(=O)=O ZINC000795655957 653962347 /nfs/dbraw/zinc/96/23/47/653962347.db2.gz SRYDEKJKRFVPOQ-CQSZACIVSA-N 1 2 382.555 2.270 20 0 GEADLO CN(C[C@H]1CCC[N@@H+](Cn2c3ccccc3n(C)c2=S)C1)S(C)(=O)=O ZINC000795655957 653962351 /nfs/dbraw/zinc/96/23/51/653962351.db2.gz SRYDEKJKRFVPOQ-CQSZACIVSA-N 1 2 382.555 2.270 20 0 GEADLO O=C(NCc1ncc(Br)cn1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000898379523 653965674 /nfs/dbraw/zinc/96/56/74/653965674.db2.gz HDCJJTRSUJGPFB-UHFFFAOYSA-N 1 2 391.273 2.420 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)OCCn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000795781423 653965993 /nfs/dbraw/zinc/96/59/93/653965993.db2.gz GKZOZMDRNJHALE-UHFFFAOYSA-N 1 2 377.344 2.130 20 0 GEADLO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000898398882 653968513 /nfs/dbraw/zinc/96/85/13/653968513.db2.gz OHGQZEMIAORPQK-RUZDIDTESA-N 1 2 381.468 2.225 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC[C@@H](N4CCOC4=O)C3)c[nH+]c12 ZINC000827000166 653970035 /nfs/dbraw/zinc/97/00/35/653970035.db2.gz IEIFWLSIBOLLIH-CYBMUJFWSA-N 1 2 379.258 2.432 20 0 GEADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000867686939 653973306 /nfs/dbraw/zinc/97/33/06/653973306.db2.gz WPLWBOAQMBLPAO-INIZCTEOSA-N 1 2 394.269 2.413 20 0 GEADLO COC(=O)[C@]12C[N@H+](Cn3cc(I)cn3)C[C@H]1CCCC2 ZINC000848491266 653981141 /nfs/dbraw/zinc/98/11/41/653981141.db2.gz REOBAPFCLBCESD-BXUZGUMPSA-N 1 2 389.237 2.110 20 0 GEADLO COC(=O)[C@]12C[N@@H+](Cn3cc(I)cn3)C[C@H]1CCCC2 ZINC000848491266 653981143 /nfs/dbraw/zinc/98/11/43/653981143.db2.gz REOBAPFCLBCESD-BXUZGUMPSA-N 1 2 389.237 2.110 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)[C@H](C)C1 ZINC000796072824 653984629 /nfs/dbraw/zinc/98/46/29/653984629.db2.gz LODSYCUPLRQURL-SNVBAGLBSA-N 1 2 395.308 2.495 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)[C@H](C)C1 ZINC000796072824 653984634 /nfs/dbraw/zinc/98/46/34/653984634.db2.gz LODSYCUPLRQURL-SNVBAGLBSA-N 1 2 395.308 2.495 20 0 GEADLO Cc1ccc(O[C@H](C)C(=O)N[C@@H](CO)c2c[nH+]cn2C)c(Br)c1 ZINC000898883496 653990665 /nfs/dbraw/zinc/99/06/65/653990665.db2.gz JWCYOHBPZGMYPA-YPMHNXCESA-N 1 2 382.258 2.108 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000898896156 653991288 /nfs/dbraw/zinc/99/12/88/653991288.db2.gz MXRFUEBPBWYADH-KEYYUXOJSA-N 1 2 378.270 2.310 20 0 GEADLO CC(C)(CNC(=O)CCNC(=O)c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000898893422 653991505 /nfs/dbraw/zinc/99/15/05/653991505.db2.gz JRFHBLPCMWXKMB-UHFFFAOYSA-N 1 2 393.285 2.317 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](c2ncccn2)C1)Nc1ccc(Br)cn1 ZINC000886682298 653994304 /nfs/dbraw/zinc/99/43/04/653994304.db2.gz DWTFEPVGDAYERG-GFCCVEGCSA-N 1 2 376.258 2.452 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](c2ncccn2)C1)Nc1ccc(Br)cn1 ZINC000886682298 653994305 /nfs/dbraw/zinc/99/43/05/653994305.db2.gz DWTFEPVGDAYERG-GFCCVEGCSA-N 1 2 376.258 2.452 20 0 GEADLO Ic1cnc(C[NH2+]Cc2ccc(-n3cncn3)nc2)s1 ZINC000796263221 653994526 /nfs/dbraw/zinc/99/45/26/653994526.db2.gz IICAOYSIQNKHKW-UHFFFAOYSA-N 1 2 398.233 2.013 20 0 GEADLO O=c1[nH]ccn2c(C[NH2+][C@@H]3CCc4c3cc(Br)cc4F)nnc12 ZINC000886702848 653995269 /nfs/dbraw/zinc/99/52/69/653995269.db2.gz FFYZEYJCBRQOHP-GFCCVEGCSA-N 1 2 378.205 2.096 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)c1csc(I)n1 ZINC000827544854 653996872 /nfs/dbraw/zinc/99/68/72/653996872.db2.gz MDXAKVLRCPFGDL-UHFFFAOYSA-N 1 2 376.223 2.154 20 0 GEADLO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)c2ncnn21 ZINC000849323483 654012715 /nfs/dbraw/zinc/01/27/15/654012715.db2.gz YMJXWFRYGAUOJV-SWHYSGLUSA-N 1 2 376.258 2.442 20 0 GEADLO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)c2ncnn21 ZINC000849323480 654012743 /nfs/dbraw/zinc/01/27/43/654012743.db2.gz YMJXWFRYGAUOJV-HONMWMINSA-N 1 2 376.258 2.442 20 0 GEADLO O=C(c1cc(Br)cnc1C1CC1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000827911566 654012883 /nfs/dbraw/zinc/01/28/83/654012883.db2.gz TYZLZHXWVQCGKA-AWEZNQCLSA-N 1 2 376.258 2.231 20 0 GEADLO COc1cccc([C@@H]2CN(C(=O)c3c(C)[nH]nc3Br)CC[NH2+]2)c1 ZINC000827944050 654013987 /nfs/dbraw/zinc/01/39/87/654013987.db2.gz VGJPHKNNQJNEOC-ZDUSSCGKSA-N 1 2 379.258 2.276 20 0 GEADLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2ncccc2Br)c1C ZINC000849373084 654016990 /nfs/dbraw/zinc/01/69/90/654016990.db2.gz ZLPCMHRIJIGQEM-UHFFFAOYSA-N 1 2 386.271 2.343 20 0 GEADLO O=C(N[C@H]1COc2cccc(Br)c2C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000828027413 654016991 /nfs/dbraw/zinc/01/69/91/654016991.db2.gz QZBFJBZGPCTCQR-VXGBXAGGSA-N 1 2 376.254 2.328 20 0 GEADLO O=C(Nc1nc2cccc(Br)c2[nH]1)C1C[NH+](C2CCOCC2)C1 ZINC000899819163 654032936 /nfs/dbraw/zinc/03/29/36/654032936.db2.gz XGHMGWYRPBCEKS-UHFFFAOYSA-N 1 2 379.258 2.375 20 0 GEADLO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000828402782 654035285 /nfs/dbraw/zinc/03/52/85/654035285.db2.gz GBQNZLZNGCUEBO-NSHDSACASA-N 1 2 375.372 2.243 20 0 GEADLO COC(=O)c1cc(C2C[NH+](C[C@H](O)c3cccc(Br)c3)C2)[nH]n1 ZINC000899914314 654036666 /nfs/dbraw/zinc/03/66/66/654036666.db2.gz MMSBKBNZURUGCE-HNNXBMFYSA-N 1 2 380.242 2.092 20 0 GEADLO O=C(CCn1cc[nH+]c1)N1CCC(O)(c2scnc2Br)CC1 ZINC000797769714 654040384 /nfs/dbraw/zinc/04/03/84/654040384.db2.gz GQGMQFDLBUGILH-UHFFFAOYSA-N 1 2 385.287 2.002 20 0 GEADLO O=C(c1nc(Br)sc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000868631790 654046986 /nfs/dbraw/zinc/04/69/86/654046986.db2.gz OLOISEWLLBSILC-SECBINFHSA-N 1 2 394.722 2.496 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2c(F)ccc(Br)c2F)CC1 ZINC000797974234 654048543 /nfs/dbraw/zinc/04/85/43/654048543.db2.gz VCKXRYHCENLRIB-OAQYLSRUSA-N 1 2 381.286 2.223 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000798238498 654056523 /nfs/dbraw/zinc/05/65/23/654056523.db2.gz ZPTXRNWILRPSHG-UHFFFAOYSA-N 1 2 379.551 2.427 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)NC[C@H](O)c1ccsc1 ZINC000868950205 654064101 /nfs/dbraw/zinc/06/41/01/654064101.db2.gz ICJJXKZSEVRJSW-HNNXBMFYSA-N 1 2 378.523 2.229 20 0 GEADLO O=C(c1cc2ncc(Br)cn2n1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000900447323 654064330 /nfs/dbraw/zinc/06/43/30/654064330.db2.gz TXMQBBMRQVYOJE-UHFFFAOYSA-N 1 2 375.230 2.235 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2c[nH]c3ccc(Br)cc23)CCO1 ZINC000900487139 654066815 /nfs/dbraw/zinc/06/68/15/654066815.db2.gz XDNNZIGXLLJAQB-GFCCVEGCSA-N 1 2 380.286 2.310 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2c[nH]c3ccc(Br)cc23)CCO1 ZINC000900487139 654066818 /nfs/dbraw/zinc/06/68/18/654066818.db2.gz XDNNZIGXLLJAQB-GFCCVEGCSA-N 1 2 380.286 2.310 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCn2ncc(Br)c2C1 ZINC000869108495 654069265 /nfs/dbraw/zinc/06/92/65/654069265.db2.gz OSRXBLDWLYNWON-HNNXBMFYSA-N 1 2 390.285 2.358 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCn2ncc(Br)c2C1 ZINC000869108495 654069268 /nfs/dbraw/zinc/06/92/68/654069268.db2.gz OSRXBLDWLYNWON-HNNXBMFYSA-N 1 2 390.285 2.358 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Br)N[C@@H]1C[NH2+]CCC1(F)F ZINC000850588068 654083933 /nfs/dbraw/zinc/08/39/33/654083933.db2.gz RZJVVVISGPPTOU-LLVKDONJSA-N 1 2 387.221 2.005 20 0 GEADLO Cn1c(Cl)cnc1C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000799340138 654092999 /nfs/dbraw/zinc/09/29/99/654092999.db2.gz GEDORHODWKKNPA-UHFFFAOYSA-N 1 2 382.917 2.289 20 0 GEADLO Cn1cc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Br)n1 ZINC000869412642 654094792 /nfs/dbraw/zinc/09/47/92/654094792.db2.gz NCNQQKICYIGCAT-OAHLLOKOSA-N 1 2 394.269 2.127 20 0 GEADLO Cn1cc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Br)n1 ZINC000869412642 654094795 /nfs/dbraw/zinc/09/47/95/654094795.db2.gz NCNQQKICYIGCAT-OAHLLOKOSA-N 1 2 394.269 2.127 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)NCc1cc(F)c(Br)cc1F ZINC000869437197 654096587 /nfs/dbraw/zinc/09/65/87/654096587.db2.gz ROLLOEXSEYJVAC-UPHRSURJSA-N 1 2 375.213 2.232 20 0 GEADLO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000900982175 654100695 /nfs/dbraw/zinc/10/06/95/654100695.db2.gz DESCIUAGCCSRNW-UHFFFAOYSA-N 1 2 382.251 2.248 20 0 GEADLO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000900982175 654100696 /nfs/dbraw/zinc/10/06/96/654100696.db2.gz DESCIUAGCCSRNW-UHFFFAOYSA-N 1 2 382.251 2.248 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1c(Cl)cccc1C(F)(F)F ZINC000900986086 654101148 /nfs/dbraw/zinc/10/11/48/654101148.db2.gz YVPNAFLQTVMIRB-NSHDSACASA-N 1 2 380.794 2.124 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(Br)c2nccnc2c1 ZINC000830163033 654102354 /nfs/dbraw/zinc/10/23/54/654102354.db2.gz STXVADKBOQTTSK-ZDUSSCGKSA-N 1 2 393.285 2.233 20 0 GEADLO C[C@@H]1CCN(C(=O)c2cc3ncc(Br)cn3n2)C[C@@H]1n1cc[nH+]c1 ZINC000901040016 654104666 /nfs/dbraw/zinc/10/46/66/654104666.db2.gz IWGWFMZBTRAWIN-RISCZKNCSA-N 1 2 389.257 2.412 20 0 GEADLO O=S(=O)(CCN1CCC[N@H+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000917052764 654112210 /nfs/dbraw/zinc/11/22/10/654112210.db2.gz NXFGSJDSQSKPOE-KRWDZBQOSA-N 1 2 386.945 2.300 20 0 GEADLO O=S(=O)(CCN1CCC[N@@H+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000917052764 654112216 /nfs/dbraw/zinc/11/22/16/654112216.db2.gz NXFGSJDSQSKPOE-KRWDZBQOSA-N 1 2 386.945 2.300 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)/C=C\c2ccc(I)o2)CCO1 ZINC000800085017 654128299 /nfs/dbraw/zinc/12/82/99/654128299.db2.gz SFKMJOQULSSVCH-USEMIUTHSA-N 1 2 391.205 2.161 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)/C=C\c2ccc(I)o2)CCO1 ZINC000800085017 654128302 /nfs/dbraw/zinc/12/83/02/654128302.db2.gz SFKMJOQULSSVCH-USEMIUTHSA-N 1 2 391.205 2.161 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)Cc2cc(OC)ccc2Br)C[C@H]1C ZINC000800093120 654128871 /nfs/dbraw/zinc/12/88/71/654128871.db2.gz WPOUXYJVLADZDD-GFCCVEGCSA-N 1 2 391.331 2.314 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)Cc2cc(OC)ccc2Br)C[C@H]1C ZINC000800093120 654128875 /nfs/dbraw/zinc/12/88/75/654128875.db2.gz WPOUXYJVLADZDD-GFCCVEGCSA-N 1 2 391.331 2.314 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)[C@@H](C)CO1 ZINC000889210349 654131779 /nfs/dbraw/zinc/13/17/79/654131779.db2.gz GXCGXQRBEBXVRF-IUCAKERBSA-N 1 2 383.802 2.323 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)[C@@H](C)CO1 ZINC000889210349 654131781 /nfs/dbraw/zinc/13/17/81/654131781.db2.gz GXCGXQRBEBXVRF-IUCAKERBSA-N 1 2 383.802 2.323 20 0 GEADLO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800138666 654131849 /nfs/dbraw/zinc/13/18/49/654131849.db2.gz MAPVVDWKFDEEBG-RYUDHWBXSA-N 1 2 389.279 2.376 20 0 GEADLO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800138666 654131853 /nfs/dbraw/zinc/13/18/53/654131853.db2.gz MAPVVDWKFDEEBG-RYUDHWBXSA-N 1 2 389.279 2.376 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800158726 654133595 /nfs/dbraw/zinc/13/35/95/654133595.db2.gz CFHHJBVEVJSEHM-LBPRGKRZSA-N 1 2 383.905 2.175 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)c2c3ccc(Br)cc3nn2C)CCO1 ZINC000830673496 654134914 /nfs/dbraw/zinc/13/49/14/654134914.db2.gz DCIYTEOCPLUDAQ-LLVKDONJSA-N 1 2 382.258 2.213 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)c2c3ccc(Br)cc3nn2C)CCO1 ZINC000830673496 654134917 /nfs/dbraw/zinc/13/49/17/654134917.db2.gz DCIYTEOCPLUDAQ-LLVKDONJSA-N 1 2 382.258 2.213 20 0 GEADLO CCOC(=O)C1=C(C[N@H+](C)Cc2cccc(Br)c2)NC(=O)N[C@@H]1C ZINC000917841524 654135514 /nfs/dbraw/zinc/13/55/14/654135514.db2.gz UDSOHNVYGFXIGI-LLVKDONJSA-N 1 2 396.285 2.399 20 0 GEADLO CCOC(=O)C1=C(C[N@@H+](C)Cc2cccc(Br)c2)NC(=O)N[C@@H]1C ZINC000917841524 654135517 /nfs/dbraw/zinc/13/55/17/654135517.db2.gz UDSOHNVYGFXIGI-LLVKDONJSA-N 1 2 396.285 2.399 20 0 GEADLO O=C(NCCSC(F)(F)F)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000918179629 654144705 /nfs/dbraw/zinc/14/47/05/654144705.db2.gz SSRMEDYYYNERPL-AWEZNQCLSA-N 1 2 377.432 2.440 20 0 GEADLO O=C(NCCSC(F)(F)F)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000918179629 654144707 /nfs/dbraw/zinc/14/47/07/654144707.db2.gz SSRMEDYYYNERPL-AWEZNQCLSA-N 1 2 377.432 2.440 20 0 GEADLO Cc1n[nH]c(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)c1Br ZINC000870132892 654146066 /nfs/dbraw/zinc/14/60/66/654146066.db2.gz NMBPHQLFAXUSDL-UHFFFAOYSA-N 1 2 379.258 2.144 20 0 GEADLO CC(C)n1cc(Cl)c(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000889538654 654147541 /nfs/dbraw/zinc/14/75/41/654147541.db2.gz WLFKDCTVDOMLHF-INIZCTEOSA-N 1 2 387.937 2.447 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000830939788 654150676 /nfs/dbraw/zinc/15/06/76/654150676.db2.gz DZIMPSXLMKTQHN-OCCSQVGLSA-N 1 2 386.279 2.082 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000830939788 654150679 /nfs/dbraw/zinc/15/06/79/654150679.db2.gz DZIMPSXLMKTQHN-OCCSQVGLSA-N 1 2 386.279 2.082 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2c[nH]nc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000830972189 654153738 /nfs/dbraw/zinc/15/37/38/654153738.db2.gz ITQXKZWJACMBPV-AAEUAGOBSA-N 1 2 375.281 2.440 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)c2c[nH]nc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000830972189 654153742 /nfs/dbraw/zinc/15/37/42/654153742.db2.gz ITQXKZWJACMBPV-AAEUAGOBSA-N 1 2 375.281 2.440 20 0 GEADLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2c[nH]nc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000830972190 654153765 /nfs/dbraw/zinc/15/37/65/654153765.db2.gz ITQXKZWJACMBPV-DGCLKSJQSA-N 1 2 375.281 2.440 20 0 GEADLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2c[nH]nc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000830972190 654153769 /nfs/dbraw/zinc/15/37/69/654153769.db2.gz ITQXKZWJACMBPV-DGCLKSJQSA-N 1 2 375.281 2.440 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@H]2CCOc3c(Br)cccc32)CCO1 ZINC000800703236 654156162 /nfs/dbraw/zinc/15/61/62/654156162.db2.gz QGBATDCOSXTSIC-WFASDCNBSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CCOc3c(Br)cccc32)CCO1 ZINC000800703236 654156168 /nfs/dbraw/zinc/15/61/68/654156168.db2.gz QGBATDCOSXTSIC-WFASDCNBSA-N 1 2 398.301 2.293 20 0 GEADLO Cc1nn(C)c(Br)c1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000800845077 654161248 /nfs/dbraw/zinc/16/12/48/654161248.db2.gz ZNSKFETWMOPDGP-UHFFFAOYSA-N 1 2 378.274 2.285 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000918851801 654164115 /nfs/dbraw/zinc/16/41/15/654164115.db2.gz CFQVAGILMDYNDV-UHFFFAOYSA-N 1 2 379.873 2.224 20 0 GEADLO CNC(=O)c1c(C)[nH]nc1NCc1c[nH+]c2c(C)cc(Br)cn12 ZINC000902664531 654191590 /nfs/dbraw/zinc/19/15/90/654191590.db2.gz WOXVEGAYLKVSED-UHFFFAOYSA-N 1 2 377.246 2.408 20 0 GEADLO C[C@H](NS(=O)(=O)c1sc2ccccc2c1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000919982686 654197752 /nfs/dbraw/zinc/19/77/52/654197752.db2.gz VYWKDFGKAVXFGG-AAEUAGOBSA-N 1 2 387.958 2.467 20 0 GEADLO C[C@H](NS(=O)(=O)c1sc2ccccc2c1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000919982686 654197754 /nfs/dbraw/zinc/19/77/54/654197754.db2.gz VYWKDFGKAVXFGG-AAEUAGOBSA-N 1 2 387.958 2.467 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000919981642 654197940 /nfs/dbraw/zinc/19/79/40/654197940.db2.gz ODYLULPDKXCLBF-MFKMUULPSA-N 1 2 399.866 2.271 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCN1C ZINC000919981642 654197944 /nfs/dbraw/zinc/19/79/44/654197944.db2.gz ODYLULPDKXCLBF-MFKMUULPSA-N 1 2 399.866 2.271 20 0 GEADLO C[C@H](NS(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@@H]1C[N@H+](C)CCN1C ZINC000920002087 654199239 /nfs/dbraw/zinc/19/92/39/654199239.db2.gz ZUSRZIJHMMPIFQ-FZMZJTMJSA-N 1 2 387.958 2.467 20 0 GEADLO C[C@H](NS(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920002087 654199242 /nfs/dbraw/zinc/19/92/42/654199242.db2.gz ZUSRZIJHMMPIFQ-FZMZJTMJSA-N 1 2 387.958 2.467 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cn(C)nn3)C2=O)ccc1Br ZINC000902953847 654205529 /nfs/dbraw/zinc/20/55/29/654205529.db2.gz LORTYXOMIBFMTO-RISCZKNCSA-N 1 2 378.274 2.342 20 0 GEADLO C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000870943843 654211429 /nfs/dbraw/zinc/21/14/29/654211429.db2.gz WZEFPZSCJIDFPM-RDTXWAMCSA-N 1 2 392.297 2.318 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000890297616 654213166 /nfs/dbraw/zinc/21/31/66/654213166.db2.gz XCQOJWJAODXCHP-NSHDSACASA-N 1 2 379.448 2.278 20 0 GEADLO O=C(c1nn2c(c1Br)CCC2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000890298143 654213200 /nfs/dbraw/zinc/21/32/00/654213200.db2.gz IBECYZKTQLUAKH-GFCCVEGCSA-N 1 2 377.242 2.280 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000903117111 654217654 /nfs/dbraw/zinc/21/76/54/654217654.db2.gz JUWIXRXHJZPMOR-UHFFFAOYSA-N 1 2 391.584 2.400 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1F)Cn1cc[nH+]c1 ZINC000903150616 654222098 /nfs/dbraw/zinc/22/20/98/654222098.db2.gz VEHDMLFFUWTVJS-JTQLQIEISA-N 1 2 376.251 2.399 20 0 GEADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000802239527 654223763 /nfs/dbraw/zinc/22/37/63/654223763.db2.gz LVWWDFDVPUDEOH-IUODEOHRSA-N 1 2 399.260 2.389 20 0 GEADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000802239527 654223767 /nfs/dbraw/zinc/22/37/67/654223767.db2.gz LVWWDFDVPUDEOH-IUODEOHRSA-N 1 2 399.260 2.389 20 0 GEADLO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000903209859 654226877 /nfs/dbraw/zinc/22/68/77/654226877.db2.gz GTPFLXRYFUMLML-SECBINFHSA-N 1 2 381.242 2.196 20 0 GEADLO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903229377 654229708 /nfs/dbraw/zinc/22/97/08/654229708.db2.gz HCDGUCTUQDUUDJ-NSHDSACASA-N 1 2 382.935 2.447 20 0 GEADLO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1sccc1Br ZINC000903229165 654229843 /nfs/dbraw/zinc/22/98/43/654229843.db2.gz FAEOHELICQBFFT-QMMMGPOBSA-N 1 2 389.362 2.219 20 0 GEADLO C[C@](CO)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc(Br)c1 ZINC000890630420 654233299 /nfs/dbraw/zinc/23/32/99/654233299.db2.gz NJDBDIPXGKLZKK-SJKOYZFVSA-N 1 2 378.270 2.232 20 0 GEADLO C[C@@H]([NH2+]Cc1ncc(Br)cn1)c1ccc(NS(C)(=O)=O)cc1 ZINC000903318899 654233670 /nfs/dbraw/zinc/23/36/70/654233670.db2.gz NKGHCZRJBCRIDX-SNVBAGLBSA-N 1 2 385.287 2.461 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921092876 654235312 /nfs/dbraw/zinc/23/53/12/654235312.db2.gz IDGZHIYGLULLMF-UHFFFAOYSA-N 1 2 375.903 2.345 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921103755 654236230 /nfs/dbraw/zinc/23/62/30/654236230.db2.gz BHOLBEWCUXKLAI-UHFFFAOYSA-N 1 2 375.903 2.345 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[NH+]1CCC(C2OCCO2)CC1 ZINC000802731876 654238102 /nfs/dbraw/zinc/23/81/02/654238102.db2.gz BLRRKCFLAHSABA-UHFFFAOYSA-N 1 2 381.270 2.447 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852431200 654238637 /nfs/dbraw/zinc/23/86/37/654238637.db2.gz GIIZNZLRHNKBEY-SMDDNHRTSA-N 1 2 382.258 2.303 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852431200 654238642 /nfs/dbraw/zinc/23/86/42/654238642.db2.gz GIIZNZLRHNKBEY-SMDDNHRTSA-N 1 2 382.258 2.303 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852436111 654239950 /nfs/dbraw/zinc/23/99/50/654239950.db2.gz VNSVRBAHBPGEHB-FZMZJTMJSA-N 1 2 382.258 2.303 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852436111 654239952 /nfs/dbraw/zinc/23/99/52/654239952.db2.gz VNSVRBAHBPGEHB-FZMZJTMJSA-N 1 2 382.258 2.303 20 0 GEADLO Cc1cncc(C[NH+]2CCC(n3nncc3I)CC2)c1 ZINC000852532520 654246217 /nfs/dbraw/zinc/24/62/17/654246217.db2.gz LJCHIJVWUNECEI-UHFFFAOYSA-N 1 2 383.237 2.423 20 0 GEADLO COC1CC[NH+](Cc2cn(C[C@H](O)c3ccc(Br)cc3)nn2)CC1 ZINC000871619106 654246998 /nfs/dbraw/zinc/24/69/98/654246998.db2.gz KDSANRGQQKIMSU-KRWDZBQOSA-N 1 2 395.301 2.385 20 0 GEADLO Cc1ncc(C[NH+]2CCC(n3nncc3I)CC2)s1 ZINC000852533479 654247587 /nfs/dbraw/zinc/24/75/87/654247587.db2.gz ZHCVEUXMIKZCAL-UHFFFAOYSA-N 1 2 389.266 2.485 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc(F)ccc1OC(F)F ZINC000921322510 654247601 /nfs/dbraw/zinc/24/76/01/654247601.db2.gz UDLIKAWOPUMTQF-NWDGAFQWSA-N 1 2 396.456 2.285 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1cc(F)ccc1OC(F)F ZINC000921322510 654247603 /nfs/dbraw/zinc/24/76/03/654247603.db2.gz UDLIKAWOPUMTQF-NWDGAFQWSA-N 1 2 396.456 2.285 20 0 GEADLO COC(=O)N(C)CC[N@H+](C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000852574048 654248218 /nfs/dbraw/zinc/24/82/18/654248218.db2.gz ZAHBYJJKMSUEBK-GFCCVEGCSA-N 1 2 386.290 2.256 20 0 GEADLO COC(=O)N(C)CC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000852574048 654248224 /nfs/dbraw/zinc/24/82/24/654248224.db2.gz ZAHBYJJKMSUEBK-GFCCVEGCSA-N 1 2 386.290 2.256 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852652764 654252858 /nfs/dbraw/zinc/25/28/58/654252858.db2.gz DSEDJFIOGNZDIN-SWLSCSKDSA-N 1 2 388.281 2.309 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852652764 654252861 /nfs/dbraw/zinc/25/28/61/654252861.db2.gz DSEDJFIOGNZDIN-SWLSCSKDSA-N 1 2 388.281 2.309 20 0 GEADLO Cc1cc(N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2=O)ccc1Br ZINC000832249538 654253426 /nfs/dbraw/zinc/25/34/26/654253426.db2.gz XHVWQTWTIAJLOM-AWEZNQCLSA-N 1 2 391.269 2.335 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c2cc(F)ccc2C[NH2+]1 ZINC000871806172 654261283 /nfs/dbraw/zinc/26/12/83/654261283.db2.gz XTQQMINRFLYVES-BGJPBQGDSA-N 1 2 377.507 2.265 20 0 GEADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000921413070 654265436 /nfs/dbraw/zinc/26/54/36/654265436.db2.gz CEWLVVVFMOXXJF-CABCVRRESA-N 1 2 388.917 2.270 20 0 GEADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000921413070 654265439 /nfs/dbraw/zinc/26/54/39/654265439.db2.gz CEWLVVVFMOXXJF-CABCVRRESA-N 1 2 388.917 2.270 20 0 GEADLO COC(=O)NCCc1ccc(S(=O)(=O)NCc2c[nH+]c(C)cc2C)s1 ZINC000832633834 654282356 /nfs/dbraw/zinc/28/23/56/654282356.db2.gz HHACCYMGKYVZFB-UHFFFAOYSA-N 1 2 383.495 2.137 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cn(C(C)(C)C)nc1Br ZINC000803514869 654282416 /nfs/dbraw/zinc/28/24/16/654282416.db2.gz IHLZUAVBRDTTDL-CHWSQXEVSA-N 1 2 399.333 2.336 20 0 GEADLO Cc1ccc(Br)c(OS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000832667187 654285479 /nfs/dbraw/zinc/28/54/79/654285479.db2.gz YTWTXFCHTFSJPV-UHFFFAOYSA-N 1 2 378.288 2.188 20 0 GEADLO CCn1c(Br)c(Br)nc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000921587238 654287482 /nfs/dbraw/zinc/28/74/82/654287482.db2.gz PARJJUIAGYSCIV-RXMQYKEDSA-N 1 2 395.017 2.441 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(c2nc3cccc(OC(F)F)c3s2)CC1 ZINC000853368935 654293860 /nfs/dbraw/zinc/29/38/60/654293860.db2.gz DISKRDPQVRZZAC-DEOSSOPVSA-N 1 2 375.466 2.398 20 0 GEADLO CCCC[N@H+](Cc1ncc(Br)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000891478188 654295809 /nfs/dbraw/zinc/29/58/09/654295809.db2.gz VGHCZDDQEFWFGS-LBPRGKRZSA-N 1 2 377.304 2.339 20 0 GEADLO CCCC[N@@H+](Cc1ncc(Br)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000891478188 654295814 /nfs/dbraw/zinc/29/58/14/654295814.db2.gz VGHCZDDQEFWFGS-LBPRGKRZSA-N 1 2 377.304 2.339 20 0 GEADLO O=C(c1ncccn1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804270413 654304243 /nfs/dbraw/zinc/30/42/43/654304243.db2.gz WFYCPTVTRRGFEE-UHFFFAOYSA-N 1 2 376.214 2.371 20 0 GEADLO COCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000891719589 654308448 /nfs/dbraw/zinc/30/84/48/654308448.db2.gz HBQCJEKTFIPNDG-UHFFFAOYSA-N 1 2 398.301 2.135 20 0 GEADLO COC(=O)NC1CC[NH+](Cn2c(=O)oc3cc(Br)ccc32)CC1 ZINC000853626260 654311623 /nfs/dbraw/zinc/31/16/23/654311623.db2.gz RAMZNEYXZXBFAV-UHFFFAOYSA-N 1 2 384.230 2.135 20 0 GEADLO Cc1nc(NC[C@@H](O)CNC(=O)OC(C)(C)C)c(Br)c(C)[nH+]1 ZINC000853651741 654313438 /nfs/dbraw/zinc/31/34/38/654313438.db2.gz NMOHYXKJZYMSGB-SNVBAGLBSA-N 1 2 375.267 2.153 20 0 GEADLO O=C(C[N@@H+]1CCNC(=O)CC12CCOCC2)Nc1cccc(Cl)c1Cl ZINC000872287213 654321759 /nfs/dbraw/zinc/32/17/59/654321759.db2.gz WHIXCWMNXDXQDP-UHFFFAOYSA-N 1 2 386.279 2.303 20 0 GEADLO O=C(C[N@H+]1CCNC(=O)CC12CCOCC2)Nc1cccc(Cl)c1Cl ZINC000872287213 654321766 /nfs/dbraw/zinc/32/17/66/654321766.db2.gz WHIXCWMNXDXQDP-UHFFFAOYSA-N 1 2 386.279 2.303 20 0 GEADLO CN(C)c1cc(CN2C(=O)c3ccc(Br)cc3S2(=O)=O)cc[nH+]1 ZINC000804919980 654325146 /nfs/dbraw/zinc/32/51/46/654325146.db2.gz HUMRSPPSSDYTGC-UHFFFAOYSA-N 1 2 396.266 2.255 20 0 GEADLO CSc1nc(Cl)c(F)c(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000872404319 654329954 /nfs/dbraw/zinc/32/99/54/654329954.db2.gz UKCFQYBKXYYZMD-UHFFFAOYSA-N 1 2 387.912 2.126 20 0 GEADLO CSc1nc(Cl)c(F)c(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000872404319 654329958 /nfs/dbraw/zinc/32/99/58/654329958.db2.gz UKCFQYBKXYYZMD-UHFFFAOYSA-N 1 2 387.912 2.126 20 0 GEADLO O=S(=O)(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(Br)n1 ZINC000872433607 654334118 /nfs/dbraw/zinc/33/41/18/654334118.db2.gz WVYQKVLWMWIRNS-UHFFFAOYSA-N 1 2 397.298 2.318 20 0 GEADLO O=C(C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1)c1ccc(Br)s1 ZINC000834596746 654337035 /nfs/dbraw/zinc/33/70/35/654337035.db2.gz CNFJQAMCSGDTCY-VHSXEESVSA-N 1 2 375.263 2.338 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@]1(C)CC1(Br)Br ZINC000834709054 654344907 /nfs/dbraw/zinc/34/49/07/654344907.db2.gz KDGDWZQNIHDMON-CMPLNLGQSA-N 1 2 398.139 2.062 20 0 GEADLO CC(C)n1cc(Br)c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000905251744 654345034 /nfs/dbraw/zinc/34/50/34/654345034.db2.gz GSDVLGHVQDVPNY-ZDUSSCGKSA-N 1 2 385.306 2.163 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)n2)C1 ZINC000872480531 654351208 /nfs/dbraw/zinc/35/12/08/654351208.db2.gz XENPXDXUEBQVNY-LLVKDONJSA-N 1 2 385.287 2.146 20 0 GEADLO O=S(=O)(c1cccc(Br)n1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000872482895 654351957 /nfs/dbraw/zinc/35/19/57/654351957.db2.gz WJQNGNMKCUVHGE-GFCCVEGCSA-N 1 2 384.255 2.081 20 0 GEADLO Cn1c[nH+]cc1COC(=O)c1cnn(C(C)(C)C)c1I ZINC000892781149 654364206 /nfs/dbraw/zinc/36/42/06/654364206.db2.gz VTXGCAQCXXUIPL-UHFFFAOYSA-N 1 2 388.209 2.333 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000892870342 654367637 /nfs/dbraw/zinc/36/76/37/654367637.db2.gz DHESYAJKHLCYAQ-LBPRGKRZSA-N 1 2 377.432 2.032 20 0 GEADLO C[C@]1([C@@H]2CCC[N@H+](Cn3nc(N4CCCC4)sc3=S)C2)COC(=O)N1 ZINC000905707556 654376316 /nfs/dbraw/zinc/37/63/16/654376316.db2.gz JWISYZGWOZDYLM-MLGOLLRUSA-N 1 2 383.543 2.442 20 0 GEADLO C[C@]1([C@@H]2CCC[N@@H+](Cn3nc(N4CCCC4)sc3=S)C2)COC(=O)N1 ZINC000905707556 654376319 /nfs/dbraw/zinc/37/63/19/654376319.db2.gz JWISYZGWOZDYLM-MLGOLLRUSA-N 1 2 383.543 2.442 20 0 GEADLO C[NH+](C)Cc1csc(CN[C@@H](C(N)=O)c2ccc(Br)cc2)n1 ZINC000905850171 654384513 /nfs/dbraw/zinc/38/45/13/654384513.db2.gz PMZVQZASMICCHI-CQSZACIVSA-N 1 2 383.315 2.283 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NC2CCN(c3nccs3)CC2)n1 ZINC000922338662 654384720 /nfs/dbraw/zinc/38/47/20/654384720.db2.gz PQLNLHVHKMUQDW-UHFFFAOYSA-N 1 2 380.543 2.129 20 0 GEADLO C[C@@H]1CN(C(=O)C(F)(F)c2ccc(Br)cc2)C[C@H](C)[N@H+]1CCO ZINC000854826217 654384830 /nfs/dbraw/zinc/38/48/30/654384830.db2.gz FCEWUJWKVWCKQG-TXEJJXNPSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@@H]1CN(C(=O)C(F)(F)c2ccc(Br)cc2)C[C@H](C)[N@@H+]1CCO ZINC000854826217 654384834 /nfs/dbraw/zinc/38/48/34/654384834.db2.gz FCEWUJWKVWCKQG-TXEJJXNPSA-N 1 2 391.256 2.454 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cc3sccc3nc2Cl)CC1 ZINC000854930602 654389474 /nfs/dbraw/zinc/38/94/74/654389474.db2.gz GGTSKKLCHUVABJ-UHFFFAOYSA-N 1 2 383.901 2.369 20 0 GEADLO O=C(NCc1ccc(O)c(Cl)c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000872849392 654400529 /nfs/dbraw/zinc/40/05/29/654400529.db2.gz MZAKIJSMRPLBHV-KRWDZBQOSA-N 1 2 385.917 2.053 20 0 GEADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC[S@](=O)CC(F)(F)F ZINC000855269127 654404639 /nfs/dbraw/zinc/40/46/39/654404639.db2.gz PONDFGGVSMZRAY-VWLOTQADSA-N 1 2 383.342 2.050 20 0 GEADLO Cn1cc(Br)c(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000922710817 654409105 /nfs/dbraw/zinc/40/91/05/654409105.db2.gz BSTSIZGMXXIPCA-UHFFFAOYSA-N 1 2 393.289 2.364 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000906063233 654411688 /nfs/dbraw/zinc/41/16/88/654411688.db2.gz FVYJCMWBPWDSLW-HXUWFJFHSA-N 1 2 398.348 2.285 20 0 GEADLO C[C@@H](NCc1cccc(F)c1I)[C@H]1C[N@H+](C)CCO1 ZINC000873081890 654413628 /nfs/dbraw/zinc/41/36/28/654413628.db2.gz VEPABUHSVPQMTE-ZWNOBZJWSA-N 1 2 378.229 2.239 20 0 GEADLO C[C@@H](NCc1cccc(F)c1I)[C@H]1C[N@@H+](C)CCO1 ZINC000873081890 654413632 /nfs/dbraw/zinc/41/36/32/654413632.db2.gz VEPABUHSVPQMTE-ZWNOBZJWSA-N 1 2 378.229 2.239 20 0 GEADLO COCC[C@H](CO)Nc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC000893673819 654414598 /nfs/dbraw/zinc/41/45/98/654414598.db2.gz QZHBZSBSNJLZEL-GFCCVEGCSA-N 1 2 392.257 2.387 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)[C@@]1(F)CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000906081722 654415552 /nfs/dbraw/zinc/41/55/52/654415552.db2.gz PVFQQHJTRSQENW-UKRRQHHQSA-N 1 2 397.299 2.239 20 0 GEADLO CC[N@H+](Cc1cn(Cc2ncon2)nn1)Cc1cccc(Br)c1 ZINC000906261593 654424356 /nfs/dbraw/zinc/42/43/56/654424356.db2.gz VPZLFYJZENNWMI-UHFFFAOYSA-N 1 2 377.246 2.494 20 0 GEADLO CC[N@@H+](Cc1cn(Cc2ncon2)nn1)Cc1cccc(Br)c1 ZINC000906261593 654424360 /nfs/dbraw/zinc/42/43/60/654424360.db2.gz VPZLFYJZENNWMI-UHFFFAOYSA-N 1 2 377.246 2.494 20 0 GEADLO CC(=O)CCn1cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)nn1 ZINC000906303271 654426728 /nfs/dbraw/zinc/42/67/28/654426728.db2.gz WMBIKHOSZVEFFE-MRXNPFEDSA-N 1 2 381.274 2.017 20 0 GEADLO Cc1cc[nH+]c(N)c1CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000893900019 654429937 /nfs/dbraw/zinc/42/99/37/654429937.db2.gz AFZBYDVDSJVPDF-UHFFFAOYSA-N 1 2 380.901 2.132 20 0 GEADLO Cc1cc(N2CCN(Cc3nc(Br)nn3C)CC2)nc(C(C)C)[nH+]1 ZINC000893912883 654431320 /nfs/dbraw/zinc/43/13/20/654431320.db2.gz LOOOOEWQFBCUST-UHFFFAOYSA-N 1 2 394.321 2.122 20 0 GEADLO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000923302473 654442744 /nfs/dbraw/zinc/44/27/44/654442744.db2.gz ADXQNRFNNAJZDD-QWHCGFSZSA-N 1 2 376.400 2.289 20 0 GEADLO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000923302473 654442746 /nfs/dbraw/zinc/44/27/46/654442746.db2.gz ADXQNRFNNAJZDD-QWHCGFSZSA-N 1 2 376.400 2.289 20 0 GEADLO Cn1cc(C[NH+]2CCC(OCC3CC3)CC2)c(I)n1 ZINC000894063557 654443531 /nfs/dbraw/zinc/44/35/31/654443531.db2.gz AYYZSIPKTGHFFW-UHFFFAOYSA-N 1 2 375.254 2.416 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 ZINC000906639104 654456095 /nfs/dbraw/zinc/45/60/95/654456095.db2.gz GEHLBEGXWBNAJT-UHFFFAOYSA-N 1 2 382.917 2.441 20 0 GEADLO O=C(NCC1CC[NH+](Cc2ncc(Br)cc2O)CC1)C(F)(F)F ZINC000894228861 654457904 /nfs/dbraw/zinc/45/79/04/654457904.db2.gz LEMGDMFCQMZQDN-UHFFFAOYSA-N 1 2 396.207 2.440 20 0 GEADLO Cc1cc(C)c(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c(C)[nH+]1 ZINC000906663149 654457864 /nfs/dbraw/zinc/45/78/64/654457864.db2.gz GJJGZKIFUQFAAM-UHFFFAOYSA-N 1 2 375.441 2.001 20 0 GEADLO Cn1ncc(I)c1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000894533519 654483822 /nfs/dbraw/zinc/48/38/22/654483822.db2.gz OADXYHGWQCWWKU-AWEZNQCLSA-N 1 2 375.254 2.416 20 0 GEADLO O=C1N=NCN1C1CC[NH+](Cc2cn3ccc(Br)cc3n2)CC1 ZINC000894609486 654490514 /nfs/dbraw/zinc/49/05/14/654490514.db2.gz XUEZOPHUWRSCSZ-UHFFFAOYSA-N 1 2 377.246 2.231 20 0 GEADLO CC1(C)C[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C[C@@]2(CCOC2)O1 ZINC000894628742 654491648 /nfs/dbraw/zinc/49/16/48/654491648.db2.gz HGXZGPNQJQLCCH-QGZVFWFLSA-N 1 2 387.933 2.403 20 0 GEADLO CC1(C)C[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C[C@@]2(CCOC2)O1 ZINC000894628742 654491649 /nfs/dbraw/zinc/49/16/49/654491649.db2.gz HGXZGPNQJQLCCH-QGZVFWFLSA-N 1 2 387.933 2.403 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CCO1 ZINC000924129556 654501764 /nfs/dbraw/zinc/50/17/64/654501764.db2.gz HSDLBWHSOVFEIN-RISCZKNCSA-N 1 2 397.269 2.139 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CCO1 ZINC000924129556 654501769 /nfs/dbraw/zinc/50/17/69/654501769.db2.gz HSDLBWHSOVFEIN-RISCZKNCSA-N 1 2 397.269 2.139 20 0 GEADLO CCS(=O)(=O)c1ccc(NC(=O)NCc2nc(C[NH+](C)C)cs2)cc1 ZINC000924765189 654523944 /nfs/dbraw/zinc/52/39/44/654523944.db2.gz MMTVCGOXNYRMJG-UHFFFAOYSA-N 1 2 382.511 2.320 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)oc1Cl ZINC000907355933 654535371 /nfs/dbraw/zinc/53/53/71/654535371.db2.gz QWSSQWYASQXICE-LLVKDONJSA-N 1 2 378.878 2.070 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)oc1Cl ZINC000907355933 654535374 /nfs/dbraw/zinc/53/53/74/654535374.db2.gz QWSSQWYASQXICE-LLVKDONJSA-N 1 2 378.878 2.070 20 0 GEADLO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cnn(C)n1 ZINC000925566016 654546047 /nfs/dbraw/zinc/54/60/47/654546047.db2.gz BOEYBVGBTCVBQA-GFCCVEGCSA-N 1 2 380.290 2.265 20 0 GEADLO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cnn(C)n1 ZINC000925566017 654546072 /nfs/dbraw/zinc/54/60/72/654546072.db2.gz BOEYBVGBTCVBQA-LBPRGKRZSA-N 1 2 380.290 2.265 20 0 GEADLO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC000907692143 654569022 /nfs/dbraw/zinc/56/90/22/654569022.db2.gz GDWRJVCQACCIBJ-UHFFFAOYSA-N 1 2 380.242 2.307 20 0 GEADLO CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC[N@H+](C)CC1 ZINC000907790019 654579288 /nfs/dbraw/zinc/57/92/88/654579288.db2.gz UFFVELSKXAEWJB-UHFFFAOYSA-N 1 2 399.866 2.227 20 0 GEADLO CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC[N@@H+](C)CC1 ZINC000907790019 654579291 /nfs/dbraw/zinc/57/92/91/654579291.db2.gz UFFVELSKXAEWJB-UHFFFAOYSA-N 1 2 399.866 2.227 20 0 GEADLO CC(C)n1cc(Br)c(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000907834666 654582059 /nfs/dbraw/zinc/58/20/59/654582059.db2.gz AGOJJDGYEOCEOL-UHFFFAOYSA-N 1 2 387.322 2.409 20 0 GEADLO CC(C)n1cc(Br)c(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC000907834666 654582065 /nfs/dbraw/zinc/58/20/65/654582065.db2.gz AGOJJDGYEOCEOL-UHFFFAOYSA-N 1 2 387.322 2.409 20 0 GEADLO O=C(NCC1(n2cc(Br)cn2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000927103867 654591823 /nfs/dbraw/zinc/59/18/23/654591823.db2.gz UKKVYTOZDXBPPQ-GFCCVEGCSA-N 1 2 393.289 2.447 20 0 GEADLO CC(C)S(=O)(=O)c1cccc(C(=O)NCc2nc(C[NH+](C)C)cs2)c1 ZINC000927767039 654612950 /nfs/dbraw/zinc/61/29/50/654612950.db2.gz PXTYWOLMIYYPHD-UHFFFAOYSA-N 1 2 381.523 2.317 20 0 GEADLO C/C(=C\C(=O)NCc1nc2cc(Br)ccc2o1)C[NH+]1CCOCC1 ZINC000908221871 654614161 /nfs/dbraw/zinc/61/41/61/654614161.db2.gz CIZWDMFEMPTFJA-XYOKQWHBSA-N 1 2 394.269 2.485 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)CC1(Br)Br ZINC000928647342 654654119 /nfs/dbraw/zinc/65/41/19/654654119.db2.gz GOHDXZLDPIGPHG-ZYHUDNBSSA-N 1 2 398.139 2.110 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000909705034 654672555 /nfs/dbraw/zinc/67/25/55/654672555.db2.gz SAZDWYNSZSFVGL-WCQYABFASA-N 1 2 397.269 2.139 20 0 GEADLO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[N@H+](Cc1cccs1)C1CC1 ZINC000929170190 654674119 /nfs/dbraw/zinc/67/41/19/654674119.db2.gz WUURLPHYKDBXDG-UHFFFAOYSA-N 1 2 377.432 2.192 20 0 GEADLO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000929170190 654674120 /nfs/dbraw/zinc/67/41/20/654674120.db2.gz WUURLPHYKDBXDG-UHFFFAOYSA-N 1 2 377.432 2.192 20 0 GEADLO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(Br)nc2N)CC1 ZINC000929258419 654677052 /nfs/dbraw/zinc/67/70/52/654677052.db2.gz YWTVYKMIDLKSGV-UHFFFAOYSA-N 1 2 399.333 2.181 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1 ZINC000929469574 654685256 /nfs/dbraw/zinc/68/52/56/654685256.db2.gz OXXLYTUYRXVMBK-INIZCTEOSA-N 1 2 395.297 2.155 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](C[C@@H]2CCCO2)C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000930110591 654699529 /nfs/dbraw/zinc/69/95/29/654699529.db2.gz NHAGHRIKGAGAKC-ZQDZILKHSA-N 1 2 385.448 2.155 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](C[C@@H]2CCCO2)C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000930110591 654699532 /nfs/dbraw/zinc/69/95/32/654699532.db2.gz NHAGHRIKGAGAKC-ZQDZILKHSA-N 1 2 385.448 2.155 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@@H]2C[C@@H]3COC[C@H]3O2)c1 ZINC000930623497 654715477 /nfs/dbraw/zinc/71/54/77/654715477.db2.gz FQROBJGDQMCGLQ-NYUZSIGZSA-N 1 2 386.286 2.227 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@@H]2C[C@@H]3COC[C@H]3O2)c1 ZINC000930623497 654715479 /nfs/dbraw/zinc/71/54/79/654715479.db2.gz FQROBJGDQMCGLQ-NYUZSIGZSA-N 1 2 386.286 2.227 20 0 GEADLO O=C(NCc1sccc1Br)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931152301 654731191 /nfs/dbraw/zinc/73/11/91/654731191.db2.gz OUBXWJVNPOFXSW-YPMHNXCESA-N 1 2 389.315 2.007 20 0 GEADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931232573 654735424 /nfs/dbraw/zinc/73/54/24/654735424.db2.gz RHRTVHXQJGUDAH-BBRMVZONSA-N 1 2 387.933 2.002 20 0 GEADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931232573 654735425 /nfs/dbraw/zinc/73/54/25/654735425.db2.gz RHRTVHXQJGUDAH-BBRMVZONSA-N 1 2 387.933 2.002 20 0 GEADLO C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H]1CCCS1(=O)=O ZINC000931379858 654740220 /nfs/dbraw/zinc/74/02/20/654740220.db2.gz LHMWZVPKTDEODA-DZGCQCFKSA-N 1 2 382.309 2.242 20 0 GEADLO C[N@@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H]1CCCS1(=O)=O ZINC000931379858 654740222 /nfs/dbraw/zinc/74/02/22/654740222.db2.gz LHMWZVPKTDEODA-DZGCQCFKSA-N 1 2 382.309 2.242 20 0 GEADLO CC(C)n1cc(Br)c(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000912048935 654741120 /nfs/dbraw/zinc/74/11/20/654741120.db2.gz SALWPYMUHZGRKC-UPJWGTAASA-N 1 2 387.322 2.454 20 0 GEADLO CC(C)n1cc(Br)c(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000912048935 654741122 /nfs/dbraw/zinc/74/11/22/654741122.db2.gz SALWPYMUHZGRKC-UPJWGTAASA-N 1 2 387.322 2.454 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000931505776 654744735 /nfs/dbraw/zinc/74/47/35/654744735.db2.gz RFTFCHBVLGPAOL-JKOKRWQUSA-N 1 2 375.254 2.150 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000931505776 654744736 /nfs/dbraw/zinc/74/47/36/654744736.db2.gz RFTFCHBVLGPAOL-JKOKRWQUSA-N 1 2 375.254 2.150 20 0 GEADLO C/C(=C\C(=O)N[C@@](C)(CO)c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000912173326 654745064 /nfs/dbraw/zinc/74/50/64/654745064.db2.gz IHKJSFBHQZKFOZ-BJRSVTDJSA-N 1 2 397.313 2.051 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000931580923 654747630 /nfs/dbraw/zinc/74/76/30/654747630.db2.gz QGPZASQOTYFUIS-NWDGAFQWSA-N 1 2 380.436 2.465 20 0 GEADLO [NH3+][C@@H](CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)C(F)F ZINC000912289737 654748997 /nfs/dbraw/zinc/74/89/97/654748997.db2.gz ORFFKQBVNDYYTM-LBPRGKRZSA-N 1 2 380.222 2.260 20 0 GEADLO C[S@](=N)(=O)N1CC[NH+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000931612153 654749318 /nfs/dbraw/zinc/74/93/18/654749318.db2.gz XEFVRBNNUXFTLG-CRWJGOAPSA-N 1 2 377.432 2.378 20 0 GEADLO COc1cccc(COC[C@@H](O)C[N@H+](C)Cc2ncc(Br)cn2)c1 ZINC000931872173 654760070 /nfs/dbraw/zinc/76/00/70/654760070.db2.gz XNQYMSQTKUHFNY-HNNXBMFYSA-N 1 2 396.285 2.257 20 0 GEADLO COc1cccc(COC[C@@H](O)C[N@@H+](C)Cc2ncc(Br)cn2)c1 ZINC000931872173 654760073 /nfs/dbraw/zinc/76/00/73/654760073.db2.gz XNQYMSQTKUHFNY-HNNXBMFYSA-N 1 2 396.285 2.257 20 0 GEADLO C[C@]1([C@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932020774 654764425 /nfs/dbraw/zinc/76/44/25/654764425.db2.gz LFFWLROOOODYOE-DXCKQFNASA-N 1 2 396.285 2.186 20 0 GEADLO C[C@]1([C@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932020774 654764426 /nfs/dbraw/zinc/76/44/26/654764426.db2.gz LFFWLROOOODYOE-DXCKQFNASA-N 1 2 396.285 2.186 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932253143 654772881 /nfs/dbraw/zinc/77/28/81/654772881.db2.gz WOXHAPUPVLMRFL-CQSZACIVSA-N 1 2 376.320 2.310 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932253143 654772884 /nfs/dbraw/zinc/77/28/84/654772884.db2.gz WOXHAPUPVLMRFL-CQSZACIVSA-N 1 2 376.320 2.310 20 0 GEADLO CC(C)[NH+]1CCN(CCCC(=O)Nc2nccc(Br)c2O)CC1 ZINC000913025293 654779369 /nfs/dbraw/zinc/77/93/69/654779369.db2.gz MABGHWUJMGRNIG-UHFFFAOYSA-N 1 2 385.306 2.294 20 0 GEADLO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cnc1Br ZINC000932494580 654779364 /nfs/dbraw/zinc/77/93/64/654779364.db2.gz RCERHJDPBXAYLF-OAHLLOKOSA-N 1 2 382.302 2.479 20 0 GEADLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000932669943 654784974 /nfs/dbraw/zinc/78/49/74/654784974.db2.gz ABZGDPZKGCDPFE-JTQLQIEISA-N 1 2 379.404 2.130 20 0 GEADLO CCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000932669943 654784976 /nfs/dbraw/zinc/78/49/76/654784976.db2.gz ABZGDPZKGCDPFE-JTQLQIEISA-N 1 2 379.404 2.130 20 0 GEADLO Cc1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)oc1Br ZINC000932693852 654785698 /nfs/dbraw/zinc/78/56/98/654785698.db2.gz CXPTWIKVQWKFHI-UHFFFAOYSA-N 1 2 398.301 2.121 20 0 GEADLO Cc1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)oc1Br ZINC000932693852 654785700 /nfs/dbraw/zinc/78/57/00/654785700.db2.gz CXPTWIKVQWKFHI-UHFFFAOYSA-N 1 2 398.301 2.121 20 0 GEADLO C/C(=C\C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C[NH+]1CCOCC1 ZINC000913425761 654791518 /nfs/dbraw/zinc/79/15/18/654791518.db2.gz DJHSNEJJIGQJLA-YRQDLRNYSA-N 1 2 391.309 2.482 20 0 GEADLO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913444669 654792247 /nfs/dbraw/zinc/79/22/47/654792247.db2.gz AMFUTWKGFQRKCY-CQSZACIVSA-N 1 2 379.251 2.080 20 0 GEADLO Cc1ccc(I)cc1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913446948 654792468 /nfs/dbraw/zinc/79/24/68/654792468.db2.gz KHWOGYPRMVTMEA-AWEZNQCLSA-N 1 2 396.232 2.109 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913447548 654792557 /nfs/dbraw/zinc/79/25/57/654792557.db2.gz MNANTYFWBKVNHC-SMDDNHRTSA-N 1 2 379.258 2.113 20 0 GEADLO COc1cc(C)c(Br)cc1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913452902 654792903 /nfs/dbraw/zinc/79/29/03/654792903.db2.gz MALOONJZDNQROG-AWEZNQCLSA-N 1 2 379.258 2.276 20 0 GEADLO O=C1NC[C@H](O)CC12CC[NH+](Cc1ccc(Cl)nc1C(F)(F)F)CC2 ZINC000932833705 654793009 /nfs/dbraw/zinc/79/30/09/654793009.db2.gz SNQVXYMJUWBXHD-LLVKDONJSA-N 1 2 377.794 2.217 20 0 GEADLO O=C(Cc1noc2ccc(Br)cc12)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913458618 654793330 /nfs/dbraw/zinc/79/33/30/654793330.db2.gz RFFKDUOLPRBKSG-CQSZACIVSA-N 1 2 390.241 2.029 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000932880710 654793496 /nfs/dbraw/zinc/79/34/96/654793496.db2.gz PUMYORDZJPARKS-GFCCVEGCSA-N 1 2 391.269 2.464 20 0 GEADLO Cc1ccc(F)c(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)c1Br ZINC000913460589 654793765 /nfs/dbraw/zinc/79/37/65/654793765.db2.gz KZWYPRGBOYXDFN-CYBMUJFWSA-N 1 2 381.249 2.417 20 0 GEADLO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000932959629 654798343 /nfs/dbraw/zinc/79/83/43/654798343.db2.gz GWDNTRGTXHPXRY-SECBINFHSA-N 1 2 399.257 2.161 20 0 GEADLO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000932959629 654798345 /nfs/dbraw/zinc/79/83/45/654798345.db2.gz GWDNTRGTXHPXRY-SECBINFHSA-N 1 2 399.257 2.161 20 0 GEADLO O=C(c1cc(Br)cc(F)c1O)N1CC[NH+](CCCCCO)CC1 ZINC000913688487 654804431 /nfs/dbraw/zinc/80/44/31/654804431.db2.gz XFFAGHAUNJGUTE-UHFFFAOYSA-N 1 2 389.265 2.214 20 0 GEADLO CCn1c[nH+]c2c1CCN(Cc1nnnn1-c1ccccc1Br)C2 ZINC000933261613 654805936 /nfs/dbraw/zinc/80/59/36/654805936.db2.gz HBAKDPUOCNIGIS-UHFFFAOYSA-N 1 2 388.273 2.200 20 0 GEADLO C[C@@H](CNC(=O)[C@@](C)(O)c1ccc(F)c(Br)c1)Cn1cc[nH+]c1 ZINC000933299911 654807070 /nfs/dbraw/zinc/80/70/70/654807070.db2.gz XLVBUHSHFRMVNU-ZBEGNZNMSA-N 1 2 384.249 2.445 20 0 GEADLO O=S(=O)(c1c(O)cccc1OC(F)(F)F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000914049318 654823284 /nfs/dbraw/zinc/82/32/84/654823284.db2.gz VUUPBMBHXCDIRE-LLVKDONJSA-N 1 2 380.388 2.150 20 0 GEADLO C[C@@H](CNS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000914056355 654823733 /nfs/dbraw/zinc/82/37/33/654823733.db2.gz FIIAWFIBZBUCDJ-APXPCNQMSA-N 1 2 399.460 2.350 20 0 GEADLO C[C@@H](CNS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N@@H+](C)C1CC1 ZINC000914056355 654823734 /nfs/dbraw/zinc/82/37/34/654823734.db2.gz FIIAWFIBZBUCDJ-APXPCNQMSA-N 1 2 399.460 2.350 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000914082534 654825347 /nfs/dbraw/zinc/82/53/47/654825347.db2.gz GVKJTRVFLWBAEG-CJNGLKHVSA-N 1 2 397.317 2.411 20 0 GEADLO O=C(N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000914173688 654832058 /nfs/dbraw/zinc/83/20/58/654832058.db2.gz WFXDWTWNAHIIDA-ULFGMLNVSA-N 1 2 390.281 2.374 20 0 GEADLO COc1ncc(S(=O)(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000914204198 654835249 /nfs/dbraw/zinc/83/52/49/654835249.db2.gz NAOIRVDOLCWRCN-ZDUSSCGKSA-N 1 2 378.479 2.148 20 0 GEADLO C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)c2occc2Br)C[C@H](C)O1 ZINC000914249427 654838763 /nfs/dbraw/zinc/83/87/63/654838763.db2.gz FAAHRFUYTHANDD-TXEJJXNPSA-N 1 2 395.319 2.210 20 0 GEADLO C[C@@H]1C[N@H+](CCCCNS(=O)(=O)c2occc2Br)C[C@H](C)O1 ZINC000914249427 654838766 /nfs/dbraw/zinc/83/87/66/654838766.db2.gz FAAHRFUYTHANDD-TXEJJXNPSA-N 1 2 395.319 2.210 20 0 GEADLO C[NH+](C)CC1(NS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)CCC1 ZINC000915204643 654865374 /nfs/dbraw/zinc/86/53/74/654865374.db2.gz FZNGGJMQQYBNPK-XMMPIXPASA-N 1 2 399.460 2.352 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)NCc2cn(C)nc2Br)c1C ZINC000915488543 654871807 /nfs/dbraw/zinc/87/18/07/654871807.db2.gz ZRXGQXMUMPOOQN-UHFFFAOYSA-N 1 2 382.262 2.202 20 0 GEADLO C[C@H](C(=O)NCCc1c[nH+]cn1C)c1ccc(I)cc1 ZINC000935329760 654887877 /nfs/dbraw/zinc/88/78/77/654887877.db2.gz XJIDXCAKEZEPDF-NSHDSACASA-N 1 2 383.233 2.487 20 0 GEADLO CCOc1ccc(Br)c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1F ZINC000935499131 654897207 /nfs/dbraw/zinc/89/72/07/654897207.db2.gz LIAFUMGWQOBVDN-LLVKDONJSA-N 1 2 389.265 2.126 20 0 GEADLO CCOc1ccc(Br)c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1F ZINC000935499131 654897209 /nfs/dbraw/zinc/89/72/09/654897209.db2.gz LIAFUMGWQOBVDN-LLVKDONJSA-N 1 2 389.265 2.126 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@H]1CCc2c[nH+]cn2C1 ZINC000935923380 654927860 /nfs/dbraw/zinc/92/78/60/654927860.db2.gz RCVHYLOXIKYMDI-GWCFXTLKSA-N 1 2 389.253 2.203 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3cccc(OC(C)(C)C)n3)CC2)C1=O ZINC001164639986 719276372 /nfs/dbraw/zinc/27/63/72/719276372.db2.gz MGPLBFXIFPULDR-UHFFFAOYSA-N 1 2 390.528 2.018 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cccc(OC(C)(C)C)n3)CC2)C1=O ZINC001164639986 719276375 /nfs/dbraw/zinc/27/63/75/719276375.db2.gz MGPLBFXIFPULDR-UHFFFAOYSA-N 1 2 390.528 2.018 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4ccc(OC)cc4n3)CC2)C1=O ZINC001164639918 719276420 /nfs/dbraw/zinc/27/64/20/719276420.db2.gz LWTMSDJSHLSOIE-UHFFFAOYSA-N 1 2 398.507 2.003 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4ccc(OC)cc4n3)CC2)C1=O ZINC001164639918 719276425 /nfs/dbraw/zinc/27/64/25/719276425.db2.gz LWTMSDJSHLSOIE-UHFFFAOYSA-N 1 2 398.507 2.003 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3ncnc(Cl)c3C(C)C)CC2)C1=O ZINC001164644650 719283714 /nfs/dbraw/zinc/28/37/14/719283714.db2.gz OEHGEIZZACYKIS-UHFFFAOYSA-N 1 2 395.935 2.013 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc(Cl)c3C(C)C)CC2)C1=O ZINC001164644650 719283718 /nfs/dbraw/zinc/28/37/18/719283718.db2.gz OEHGEIZZACYKIS-UHFFFAOYSA-N 1 2 395.935 2.013 20 0 GEADLO FC(F)(Oc1cnc(Cl)cn1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676993 719567562 /nfs/dbraw/zinc/56/75/62/719567562.db2.gz UIXXAZUWLWGJKT-UHFFFAOYSA-N 1 2 382.758 2.350 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(C)C)nc(C)n1 ZINC001164699874 719841511 /nfs/dbraw/zinc/84/15/11/719841511.db2.gz IOBFFNCUFQTCQK-UZLBHIALSA-N 1 2 376.501 2.141 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(C(C)(C)C)n1 ZINC001164698341 719850838 /nfs/dbraw/zinc/85/08/38/719850838.db2.gz BLXUIFHBXACXAM-YWZLYKJASA-N 1 2 376.501 2.007 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cnc1Cl ZINC001164700139 719851807 /nfs/dbraw/zinc/85/18/07/719851807.db2.gz GQNJBFYBUOQKGN-MEDUHNTESA-N 1 2 389.283 2.016 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(OCC(C)C)n1 ZINC001164701215 719864467 /nfs/dbraw/zinc/86/44/67/719864467.db2.gz FZHCEYHPYIWUKQ-DYESRHJHSA-N 1 2 391.512 2.349 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)ncn1 ZINC001164705020 719867107 /nfs/dbraw/zinc/86/71/07/719867107.db2.gz MZNRWCKJBXPUEC-XMSQKQJNSA-N 1 2 396.491 2.376 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(C)(C)C)ncn1 ZINC001164701228 719868283 /nfs/dbraw/zinc/86/82/83/719868283.db2.gz GDYSIBJQCHJFBA-MGPUTAFESA-N 1 2 376.501 2.007 20 0 GEADLO CCCSc1cncc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164708155 719871646 /nfs/dbraw/zinc/87/16/46/719871646.db2.gz XRSBCXKYOMFOAE-DNVCBOLYSA-N 1 2 394.541 2.211 20 0 GEADLO CCCCc1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ncn1 ZINC001164703795 719875126 /nfs/dbraw/zinc/87/51/26/719875126.db2.gz KNYANYMZGFDPEL-PXNSSMCTSA-N 1 2 376.501 2.052 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc(Cl)c1C(C)C ZINC001164705004 719876776 /nfs/dbraw/zinc/87/67/76/719876776.db2.gz MVIJXBIJBVQVSI-LIRRHRJNSA-N 1 2 396.919 2.486 20 0 GEADLO CCc1nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(Cl)nc1C ZINC001164699812 719879053 /nfs/dbraw/zinc/87/90/53/719879053.db2.gz IVQLVKOISUIUQG-IFXJQAMLSA-N 1 2 396.919 2.234 20 0 GEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)cc3Cl)C2)C1 ZINC001164718535 720213365 /nfs/dbraw/zinc/21/33/65/720213365.db2.gz MZRJZBHSWCYCER-QGZVFWFLSA-N 1 2 387.311 2.053 20 0 GEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)cc3Cl)C2)C1 ZINC001164718535 720213380 /nfs/dbraw/zinc/21/33/80/720213380.db2.gz MZRJZBHSWCYCER-QGZVFWFLSA-N 1 2 387.311 2.053 20 0 GEADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1[C@@H](F)Oc1ccc(Cl)nn1 ZINC001164720863 720317211 /nfs/dbraw/zinc/31/72/11/720317211.db2.gz BMWRUOGPAJKXBU-SUMWQHHRSA-N 1 2 396.854 2.275 20 0 GEADLO F[C@@H](Oc1ccc(Cl)nc1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164829868 720398397 /nfs/dbraw/zinc/39/83/97/720398397.db2.gz ONEKRYLAJLQVMT-MRXNPFEDSA-N 1 2 377.811 2.109 20 0 GEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN([C@H](F)c1ccnc(Cl)c1)C2 ZINC001164855065 720895843 /nfs/dbraw/zinc/89/58/43/720895843.db2.gz ADKBFNDZRKCBRX-SFHVURJKSA-N 1 2 388.834 2.411 20 0 GEADLO COC(=O)c1cnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c(Cl)c1 ZINC001165009891 721693549 /nfs/dbraw/zinc/69/35/49/721693549.db2.gz RFRWZDPWWMRZGK-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO COC(=O)c1cnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c(Cl)c1 ZINC001165009891 721693550 /nfs/dbraw/zinc/69/35/50/721693550.db2.gz RFRWZDPWWMRZGK-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO CCOC(=O)Cc1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165011252 721704844 /nfs/dbraw/zinc/70/48/44/721704844.db2.gz OZDXFQKDKBXNRA-UHFFFAOYSA-N 1 2 386.500 2.029 20 0 GEADLO CCOC(=O)Cc1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165011252 721704849 /nfs/dbraw/zinc/70/48/49/721704849.db2.gz OZDXFQKDKBXNRA-UHFFFAOYSA-N 1 2 386.500 2.029 20 0 GEADLO COC(=O)c1c(Cl)ccnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164916580 721812932 /nfs/dbraw/zinc/81/29/32/721812932.db2.gz IEKIBMHEJFSMCH-UHFFFAOYSA-N 1 2 389.887 2.468 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(-c3ccncc3)nn2)CC1 ZINC001164918722 721820436 /nfs/dbraw/zinc/82/04/36/721820436.db2.gz HIXUXDLBQHCALX-UHFFFAOYSA-N 1 2 375.480 2.485 20 0 GEADLO COc1ccc2c[nH+]c(N3CCN(Cc4nc(OC)cc(OC)n4)CC3)cc2c1 ZINC001165028600 721849321 /nfs/dbraw/zinc/84/93/21/721849321.db2.gz DGBAEYWEUGNYNH-UHFFFAOYSA-N 1 2 395.463 2.373 20 0 GEADLO CC(=O)Nc1cccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164946874 721973619 /nfs/dbraw/zinc/97/36/19/721973619.db2.gz YCMGAUWNZJNTDI-UHFFFAOYSA-N 1 2 393.491 2.011 20 0 GEADLO CC(=O)Nc1cccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164946874 721973622 /nfs/dbraw/zinc/97/36/22/721973622.db2.gz YCMGAUWNZJNTDI-UHFFFAOYSA-N 1 2 393.491 2.011 20 0 GEADLO COc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(C)c1 ZINC001164945054 721974005 /nfs/dbraw/zinc/97/40/05/721974005.db2.gz NZAYMNOZSALJJY-UHFFFAOYSA-N 1 2 380.492 2.370 20 0 GEADLO COc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(C)c1 ZINC001164945054 721974006 /nfs/dbraw/zinc/97/40/06/721974006.db2.gz NZAYMNOZSALJJY-UHFFFAOYSA-N 1 2 380.492 2.370 20 0 GEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(C3CC3)nn1)CC2 ZINC001164948393 721974983 /nfs/dbraw/zinc/97/49/83/721974983.db2.gz YRVPIOVIHWXQSZ-UHFFFAOYSA-N 1 2 377.492 2.325 20 0 GEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(C3CC3)nn1)CC2 ZINC001164948393 721974985 /nfs/dbraw/zinc/97/49/85/721974985.db2.gz YRVPIOVIHWXQSZ-UHFFFAOYSA-N 1 2 377.492 2.325 20 0 GEADLO COc1nnc(Cl)cc1C(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054826 722020598 /nfs/dbraw/zinc/02/05/98/722020598.db2.gz FAPFBJJNSFZUJZ-UHFFFAOYSA-N 1 2 383.830 2.443 20 0 GEADLO Cc1cc(N2CC[C@@H]([N@@H+](C)Cc3cc(Br)cn3C)C2=O)n(C)n1 ZINC000151627379 531513538 /nfs/dbraw/zinc/51/35/38/531513538.db2.gz MXDSBCKJTMBWQQ-CQSZACIVSA-N 1 2 380.290 2.067 20 0 GEADLO Cc1cc(N2CC[C@@H]([N@H+](C)Cc3cc(Br)cn3C)C2=O)n(C)n1 ZINC000151627379 531513545 /nfs/dbraw/zinc/51/35/45/531513545.db2.gz MXDSBCKJTMBWQQ-CQSZACIVSA-N 1 2 380.290 2.067 20 0 GEADLO O=C(NCc1cc2c(c(Br)c1)OCO2)[C@H]1CCn2c[nH+]cc2C1 ZINC000151735754 531518113 /nfs/dbraw/zinc/51/81/13/531518113.db2.gz YEALNAAVNGXKQG-NSHDSACASA-N 1 2 378.226 2.253 20 0 GEADLO Cn1ccc(N2CCC[C@H]([N@H+](C)Cc3cc(Br)cn3C)C2=O)n1 ZINC000151455099 531502210 /nfs/dbraw/zinc/50/22/10/531502210.db2.gz NXLNJMMSOBKETJ-AWEZNQCLSA-N 1 2 380.290 2.149 20 0 GEADLO Cn1ccc(N2CCC[C@H]([N@@H+](C)Cc3cc(Br)cn3C)C2=O)n1 ZINC000151455099 531502215 /nfs/dbraw/zinc/50/22/15/531502215.db2.gz NXLNJMMSOBKETJ-AWEZNQCLSA-N 1 2 380.290 2.149 20 0 GEADLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccccc1 ZINC000152087409 531529512 /nfs/dbraw/zinc/52/95/12/531529512.db2.gz QUUZIXKHQCLINV-WBMJQRKESA-N 1 2 382.507 2.328 20 0 GEADLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccccc1 ZINC000152087334 531530293 /nfs/dbraw/zinc/53/02/93/531530293.db2.gz QUUZIXKHQCLINV-LRDDRELGSA-N 1 2 382.507 2.328 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152272064 531541149 /nfs/dbraw/zinc/54/11/49/531541149.db2.gz BCCPBZDLSSOLDH-IRXDYDNUSA-N 1 2 397.313 2.287 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152272064 531541155 /nfs/dbraw/zinc/54/11/55/531541155.db2.gz BCCPBZDLSSOLDH-IRXDYDNUSA-N 1 2 397.313 2.287 20 0 GEADLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000152366957 531547743 /nfs/dbraw/zinc/54/77/43/531547743.db2.gz IJGXKDIYMNWOBF-WCQYABFASA-N 1 2 376.881 2.165 20 0 GEADLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000152366957 531547749 /nfs/dbraw/zinc/54/77/49/531547749.db2.gz IJGXKDIYMNWOBF-WCQYABFASA-N 1 2 376.881 2.165 20 0 GEADLO O=C(c1ccc(Cl)c(C(F)(F)F)c1)N(CCO)CC[NH+]1CCOCC1 ZINC000152408709 531550219 /nfs/dbraw/zinc/55/02/19/531550219.db2.gz LHTNTWSUJXHKOI-UHFFFAOYSA-N 1 2 380.794 2.126 20 0 GEADLO CS(=O)(=O)N1CCC(C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000014368018 531562980 /nfs/dbraw/zinc/56/29/80/531562980.db2.gz REHAWWJAZMXROV-UHFFFAOYSA-N 1 2 382.873 2.003 20 0 GEADLO CNc1nnc(SCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000019394005 531578168 /nfs/dbraw/zinc/57/81/68/531578168.db2.gz WJTNPMSABMCROT-UHFFFAOYSA-N 1 2 379.511 2.143 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(Br)cc1F ZINC000153075032 531588526 /nfs/dbraw/zinc/58/85/26/531588526.db2.gz VEXCYLBPWHXHHV-WBMJQRKESA-N 1 2 393.260 2.378 20 0 GEADLO O=C(Cc1cn2ccsc2n1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023435960 531598086 /nfs/dbraw/zinc/59/80/86/531598086.db2.gz KHBRXFPXGRPEEF-AWEZNQCLSA-N 1 2 376.507 2.190 20 0 GEADLO CN(C(=O)CCCn1cc[nH+]c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000154724575 531628952 /nfs/dbraw/zinc/62/89/52/531628952.db2.gz JWHGUVILIPIZRV-HNNXBMFYSA-N 1 2 379.258 2.111 20 0 GEADLO O=C(C[NH+]1CCN(c2ccc(Br)cn2)CC1)NCc1ccccc1 ZINC000030199632 531633769 /nfs/dbraw/zinc/63/37/69/531633769.db2.gz KQAKBFAYIPIBKR-UHFFFAOYSA-N 1 2 389.297 2.283 20 0 GEADLO NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000030202156 531633962 /nfs/dbraw/zinc/63/39/62/531633962.db2.gz QZISTHCVQZWDGT-MRXNPFEDSA-N 1 2 375.270 2.193 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cccc(Br)c1 ZINC000031941606 531647299 /nfs/dbraw/zinc/64/72/99/531647299.db2.gz GLYBDRYFXQFDTO-MRXNPFEDSA-N 1 2 385.327 2.387 20 0 GEADLO C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031940632 531648468 /nfs/dbraw/zinc/64/84/68/531648468.db2.gz LAWNXEIKIWISPI-KSSFIOAISA-N 1 2 384.929 2.431 20 0 GEADLO C[C@@H](Cc1cccs1)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000155120088 531658763 /nfs/dbraw/zinc/65/87/63/531658763.db2.gz MJTDSUXDNVDKJN-AWEZNQCLSA-N 1 2 380.535 2.444 20 0 GEADLO O=C(NCc1ccc(Cl)s1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000041409892 531662483 /nfs/dbraw/zinc/66/24/83/531662483.db2.gz NMCLFTNZXCDKFO-OAHLLOKOSA-N 1 2 375.947 2.409 20 0 GEADLO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](NS(C)(=O)=O)C3)cs2)cc1 ZINC000041622208 531666017 /nfs/dbraw/zinc/66/60/17/531666017.db2.gz FTHJRDRXNWVROP-CQSZACIVSA-N 1 2 381.523 2.332 20 0 GEADLO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](NS(C)(=O)=O)C3)cs2)cc1 ZINC000041622208 531666025 /nfs/dbraw/zinc/66/60/25/531666025.db2.gz FTHJRDRXNWVROP-CQSZACIVSA-N 1 2 381.523 2.332 20 0 GEADLO CC(C)[C@H](Sc1[nH+]cc2ccccn21)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000042992170 531676283 /nfs/dbraw/zinc/67/62/83/531676283.db2.gz NCXWCCQYMTXAOY-WMLDXEAASA-N 1 2 381.523 2.144 20 0 GEADLO Cc1nc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCN(C)CC2)cs1 ZINC000043229119 531680939 /nfs/dbraw/zinc/68/09/39/531680939.db2.gz GKFZBPKXAFSKEM-HNNXBMFYSA-N 1 2 379.555 2.301 20 0 GEADLO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000155570900 531690540 /nfs/dbraw/zinc/69/05/40/531690540.db2.gz OLTJRTYUXNPUQI-MSOLQXFVSA-N 1 2 387.567 2.446 20 0 GEADLO Cc1cccc(S(=O)(=O)CCC[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000155570900 531690544 /nfs/dbraw/zinc/69/05/44/531690544.db2.gz OLTJRTYUXNPUQI-MSOLQXFVSA-N 1 2 387.567 2.446 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000045203460 531690972 /nfs/dbraw/zinc/69/09/72/531690972.db2.gz GXRSRPHKCQCLRH-LBPRGKRZSA-N 1 2 391.269 2.194 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000156292676 531727157 /nfs/dbraw/zinc/72/71/57/531727157.db2.gz NYPWWFGBVDEECW-SKDRFNHKSA-N 1 2 386.823 2.356 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000156292676 531727163 /nfs/dbraw/zinc/72/71/63/531727163.db2.gz NYPWWFGBVDEECW-SKDRFNHKSA-N 1 2 386.823 2.356 20 0 GEADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2sccc2Br)CC1 ZINC000047854098 531722337 /nfs/dbraw/zinc/72/23/37/531722337.db2.gz VYRVSRLPXAULIS-UHFFFAOYSA-N 1 2 388.331 2.183 20 0 GEADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2sccc2Br)CC1 ZINC000047854098 531722342 /nfs/dbraw/zinc/72/23/42/531722342.db2.gz VYRVSRLPXAULIS-UHFFFAOYSA-N 1 2 388.331 2.183 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047894317 531722431 /nfs/dbraw/zinc/72/24/31/531722431.db2.gz NARIZHRWELNWDS-GFCCVEGCSA-N 1 2 394.273 2.280 20 0 GEADLO CN1CC[NH+]([C@H](CNC(=O)NCCc2nccs2)c2cccs2)CC1 ZINC000051757104 531745109 /nfs/dbraw/zinc/74/51/09/531745109.db2.gz YIBLEKRPBIXJFC-CQSZACIVSA-N 1 2 379.555 2.035 20 0 GEADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000157209615 531733515 /nfs/dbraw/zinc/73/35/15/531733515.db2.gz ZDWYNSWRDMQXQJ-DVOMOZLQSA-N 1 2 385.302 2.098 20 0 GEADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000157209615 531733525 /nfs/dbraw/zinc/73/35/25/531733525.db2.gz ZDWYNSWRDMQXQJ-DVOMOZLQSA-N 1 2 385.302 2.098 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1sccc1Br ZINC000052845311 531750937 /nfs/dbraw/zinc/75/09/37/531750937.db2.gz MDMJIRQZTPVABT-AWEZNQCLSA-N 1 2 391.356 2.448 20 0 GEADLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000055290481 531787375 /nfs/dbraw/zinc/78/73/75/531787375.db2.gz MFDUNIMLGOANPV-STQMWFEESA-N 1 2 391.331 2.227 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000161656445 531833628 /nfs/dbraw/zinc/83/36/28/531833628.db2.gz RCMDNNODCWRVFA-ZDUSSCGKSA-N 1 2 393.285 2.313 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000058298421 531830522 /nfs/dbraw/zinc/83/05/22/531830522.db2.gz VFUCHJITIYQJJP-OLZOCXBDSA-N 1 2 391.269 2.203 20 0 GEADLO C[NH+]1CCN(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)CC1 ZINC000060990786 531848942 /nfs/dbraw/zinc/84/89/42/531848942.db2.gz UHXGDDOLRPAUOM-UHFFFAOYSA-N 1 2 377.539 2.131 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162805297 531851713 /nfs/dbraw/zinc/85/17/13/531851713.db2.gz HKKMKZQFJYISDG-LLVKDONJSA-N 1 2 376.463 2.444 20 0 GEADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162805181 531852062 /nfs/dbraw/zinc/85/20/62/531852062.db2.gz HKKMKZQFJYISDG-NSHDSACASA-N 1 2 376.463 2.444 20 0 GEADLO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000061757834 531855382 /nfs/dbraw/zinc/85/53/82/531855382.db2.gz IUALGXCKICARRC-BZUAXINKSA-N 1 2 384.567 2.242 20 0 GEADLO O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000163772563 531862905 /nfs/dbraw/zinc/86/29/05/531862905.db2.gz WJSFSWSHOYFXLO-CYBMUJFWSA-N 1 2 386.279 2.255 20 0 GEADLO O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000163752350 531863364 /nfs/dbraw/zinc/86/33/64/531863364.db2.gz JFEUVTJECBSBDG-HNNXBMFYSA-N 1 2 386.279 2.255 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000064027433 531864021 /nfs/dbraw/zinc/86/40/21/531864021.db2.gz QPZCAHAJEVGWMZ-NSHDSACASA-N 1 2 382.873 2.107 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000067153760 531877277 /nfs/dbraw/zinc/87/72/77/531877277.db2.gz MHXDMVVLZUVDNA-UHFFFAOYSA-N 1 2 378.885 2.097 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000067153760 531877283 /nfs/dbraw/zinc/87/72/83/531877283.db2.gz MHXDMVVLZUVDNA-UHFFFAOYSA-N 1 2 378.885 2.097 20 0 GEADLO CC(=O)NCc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)s1 ZINC000067232810 531880597 /nfs/dbraw/zinc/88/05/97/531880597.db2.gz WGZAMCGPWTZWPC-UHFFFAOYSA-N 1 2 377.535 2.446 20 0 GEADLO CC(C)C[N@H+](CC(N)=O)CC(=O)Nc1ccc(Br)cc1Cl ZINC000067962908 531892652 /nfs/dbraw/zinc/89/26/52/531892652.db2.gz RLZHBXJJSNDOBV-UHFFFAOYSA-N 1 2 376.682 2.484 20 0 GEADLO CC(C)C[N@@H+](CC(N)=O)CC(=O)Nc1ccc(Br)cc1Cl ZINC000067962908 531892656 /nfs/dbraw/zinc/89/26/56/531892656.db2.gz RLZHBXJJSNDOBV-UHFFFAOYSA-N 1 2 376.682 2.484 20 0 GEADLO CC[N@H+](CCSc1ccc(Cl)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000069875313 531913165 /nfs/dbraw/zinc/91/31/65/531913165.db2.gz ZMVAARNHLHCTDC-AWEZNQCLSA-N 1 2 390.958 2.057 20 0 GEADLO CC[N@@H+](CCSc1ccc(Cl)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000069875313 531913171 /nfs/dbraw/zinc/91/31/71/531913171.db2.gz ZMVAARNHLHCTDC-AWEZNQCLSA-N 1 2 390.958 2.057 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)NCCS(C)(=O)=O)c1ccccc1Cl ZINC000076037856 531917087 /nfs/dbraw/zinc/91/70/87/531917087.db2.gz ITUANJOZRDSLBF-OAHLLOKOSA-N 1 2 375.922 2.067 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)c3cnn4cc(Br)cnc34)sc2C1 ZINC000094033612 531929887 /nfs/dbraw/zinc/92/98/87/531929887.db2.gz NEMQKHQHEFDVJO-UHFFFAOYSA-N 1 2 393.270 2.189 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)c3cnn4cc(Br)cnc34)sc2C1 ZINC000094033612 531929891 /nfs/dbraw/zinc/92/98/91/531929891.db2.gz NEMQKHQHEFDVJO-UHFFFAOYSA-N 1 2 393.270 2.189 20 0 GEADLO C[C@@H](NC(=O)NCCc1ccc(Br)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000172335812 531947491 /nfs/dbraw/zinc/94/74/91/531947491.db2.gz VWZZHXKQJLHDHO-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO CCC(CC)[C@H](CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)[NH+](C)C ZINC000119422926 531967192 /nfs/dbraw/zinc/96/71/92/531967192.db2.gz ZUVMTPWWALJVDC-INIZCTEOSA-N 1 2 390.571 2.272 20 0 GEADLO CCO[C@H](C)c1nc(CN2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)cs1 ZINC000119443431 531967751 /nfs/dbraw/zinc/96/77/51/531967751.db2.gz PVYMINXAAJEJBJ-LSDHHAIUSA-N 1 2 389.587 2.039 20 0 GEADLO O=C(c1ccncc1I)N1CCC(n2cc[nH+]c2)CC1 ZINC000119806317 531973174 /nfs/dbraw/zinc/97/31/74/531973174.db2.gz QFKRHECTRMBYHR-UHFFFAOYSA-N 1 2 382.205 2.360 20 0 GEADLO CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000120260757 531980372 /nfs/dbraw/zinc/98/03/72/531980372.db2.gz BAASVBLWXRLOLD-UHFFFAOYSA-N 1 2 379.507 2.349 20 0 GEADLO CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000120260757 531980381 /nfs/dbraw/zinc/98/03/81/531980381.db2.gz BAASVBLWXRLOLD-UHFFFAOYSA-N 1 2 379.507 2.349 20 0 GEADLO Cn1cc(S(=O)(=O)N2C[C@H](n3cc[nH+]c3)Cc3ccccc32)nc1Cl ZINC000120254549 531980497 /nfs/dbraw/zinc/98/04/97/531980497.db2.gz RKXKVMPBPKZKRA-CYBMUJFWSA-N 1 2 377.857 2.263 20 0 GEADLO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000120576081 531983286 /nfs/dbraw/zinc/98/32/86/531983286.db2.gz DTDWKNXADIATDA-CQSZACIVSA-N 1 2 384.889 2.428 20 0 GEADLO O=C(C[NH+]1CCC(n2cncn2)CC1)Nc1ccc(Br)cc1F ZINC000120617278 531986245 /nfs/dbraw/zinc/98/62/45/531986245.db2.gz IXCOSXAXCRFREQ-UHFFFAOYSA-N 1 2 382.237 2.455 20 0 GEADLO C[C@@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@H](c2ccsc2)O1 ZINC000120653759 531987944 /nfs/dbraw/zinc/98/79/44/531987944.db2.gz HINBCUTYWHWJKC-CXAGYDPISA-N 1 2 382.507 2.236 20 0 GEADLO C[C@@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@H](c2ccsc2)O1 ZINC000120653759 531987952 /nfs/dbraw/zinc/98/79/52/531987952.db2.gz HINBCUTYWHWJKC-CXAGYDPISA-N 1 2 382.507 2.236 20 0 GEADLO CCN(C1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C)CC1)S(C)(=O)=O ZINC000173364058 532005564 /nfs/dbraw/zinc/00/55/64/532005564.db2.gz MDJYHMSVPLSXOV-UHFFFAOYSA-N 1 2 387.571 2.358 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](Cc2ccc(I)cc2)C2CC2)C1 ZINC000173357557 532006648 /nfs/dbraw/zinc/00/66/48/532006648.db2.gz CXAWGKWGYUGIIT-AWEZNQCLSA-N 1 2 391.274 2.443 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccc(I)cc2)C2CC2)C1 ZINC000173357557 532006653 /nfs/dbraw/zinc/00/66/53/532006653.db2.gz CXAWGKWGYUGIIT-AWEZNQCLSA-N 1 2 391.274 2.443 20 0 GEADLO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173538981 532018545 /nfs/dbraw/zinc/01/85/45/532018545.db2.gz ZQIIJYVLEDKCKS-GFCCVEGCSA-N 1 2 379.309 2.336 20 0 GEADLO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173543054 532018137 /nfs/dbraw/zinc/01/81/37/532018137.db2.gz PFAMIZFZJOOZKE-CYBMUJFWSA-N 1 2 378.416 2.048 20 0 GEADLO C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000173584887 532021208 /nfs/dbraw/zinc/02/12/08/532021208.db2.gz KBYAMUDUXKLZGO-XJKSGUPXSA-N 1 2 387.343 2.315 20 0 GEADLO CCc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)s1 ZINC000121371112 532025841 /nfs/dbraw/zinc/02/58/41/532025841.db2.gz IXUJOFWOCIFPLD-HOTGVXAUSA-N 1 2 380.535 2.224 20 0 GEADLO CCc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)s1 ZINC000121371112 532025844 /nfs/dbraw/zinc/02/58/44/532025844.db2.gz IXUJOFWOCIFPLD-HOTGVXAUSA-N 1 2 380.535 2.224 20 0 GEADLO CCOC(=O)CCCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000121749682 532045314 /nfs/dbraw/zinc/04/53/14/532045314.db2.gz LPMBEEPNJZAFPE-NVXWUHKLSA-N 1 2 388.917 2.348 20 0 GEADLO CCOC(=O)CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000121749682 532045322 /nfs/dbraw/zinc/04/53/22/532045322.db2.gz LPMBEEPNJZAFPE-NVXWUHKLSA-N 1 2 388.917 2.348 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)cc1F ZINC000121855258 532049724 /nfs/dbraw/zinc/04/97/24/532049724.db2.gz QMCXBGCBPCFTGM-ZDUSSCGKSA-N 1 2 376.881 2.130 20 0 GEADLO OC[C@@H](O)C[N@H+](CCC(F)(F)F)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000122230264 532062410 /nfs/dbraw/zinc/06/24/10/532062410.db2.gz ZTONLQJTRWAGLY-LBPRGKRZSA-N 1 2 379.766 2.498 20 0 GEADLO OC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000122230264 532062417 /nfs/dbraw/zinc/06/24/17/532062417.db2.gz ZTONLQJTRWAGLY-LBPRGKRZSA-N 1 2 379.766 2.498 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000122516142 532072543 /nfs/dbraw/zinc/07/25/43/532072543.db2.gz XCJQIIDULJJXQB-HUUCEWRRSA-N 1 2 376.881 2.152 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000122516142 532072547 /nfs/dbraw/zinc/07/25/47/532072547.db2.gz XCJQIIDULJJXQB-HUUCEWRRSA-N 1 2 376.881 2.152 20 0 GEADLO C[C@@H]1CC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000122693784 532079477 /nfs/dbraw/zinc/07/94/77/532079477.db2.gz YDDWPOWUQCYHQC-OWCLPIDISA-N 1 2 384.567 2.242 20 0 GEADLO C[C@@H]1CC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000122693784 532079485 /nfs/dbraw/zinc/07/94/85/532079485.db2.gz YDDWPOWUQCYHQC-OWCLPIDISA-N 1 2 384.567 2.242 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1c(F)cccc1Cl ZINC000175022338 532086642 /nfs/dbraw/zinc/08/66/42/532086642.db2.gz FGGFHSBIONGZEO-GRYCIOLGSA-N 1 2 376.881 2.164 20 0 GEADLO C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000175618633 532109426 /nfs/dbraw/zinc/10/94/26/532109426.db2.gz OCUMQHGKAFBEEJ-GXTWGEPZSA-N 1 2 390.311 2.389 20 0 GEADLO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000175657274 532111108 /nfs/dbraw/zinc/11/11/08/532111108.db2.gz XONYHMFVHXOYAE-IUODEOHRSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@@H](O)[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000175657274 532111111 /nfs/dbraw/zinc/11/11/11/532111111.db2.gz XONYHMFVHXOYAE-IUODEOHRSA-N 1 2 376.316 2.458 20 0 GEADLO Cc1ccc(NC(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)c(Br)c1 ZINC000123498611 532100346 /nfs/dbraw/zinc/10/03/46/532100346.db2.gz FPMJJPJFOYBAKS-UHFFFAOYSA-N 1 2 397.317 2.385 20 0 GEADLO Cc1ccc(NC(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)c(Br)c1 ZINC000123498611 532100351 /nfs/dbraw/zinc/10/03/51/532100351.db2.gz FPMJJPJFOYBAKS-UHFFFAOYSA-N 1 2 397.317 2.385 20 0 GEADLO C[C@H](CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)Cc1cccs1 ZINC000175806478 532114959 /nfs/dbraw/zinc/11/49/59/532114959.db2.gz KBJGRXVINAEVHG-MAUKXSAKSA-N 1 2 383.583 2.434 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000125615323 532139420 /nfs/dbraw/zinc/13/94/20/532139420.db2.gz QSOYEWVOVQDGRR-OAHLLOKOSA-N 1 2 395.301 2.403 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000125615323 532139424 /nfs/dbraw/zinc/13/94/24/532139424.db2.gz QSOYEWVOVQDGRR-OAHLLOKOSA-N 1 2 395.301 2.403 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000125478051 532136329 /nfs/dbraw/zinc/13/63/29/532136329.db2.gz XIHZIEXXMVIXNS-BXUZGUMPSA-N 1 2 376.284 2.047 20 0 GEADLO CN(C)C(=O)CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000126912034 532151524 /nfs/dbraw/zinc/15/15/24/532151524.db2.gz ADNRVASDULZZKD-INIZCTEOSA-N 1 2 382.302 2.181 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1CCSC2(CCCCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000176929091 532155622 /nfs/dbraw/zinc/15/56/22/532155622.db2.gz SLRPBDGYDYMWCL-JKSUJKDBSA-N 1 2 388.599 2.162 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1CCSC2(CCCCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000176929091 532155628 /nfs/dbraw/zinc/15/56/28/532155628.db2.gz SLRPBDGYDYMWCL-JKSUJKDBSA-N 1 2 388.599 2.162 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000176561914 532140570 /nfs/dbraw/zinc/14/05/70/532140570.db2.gz KLIRTCCQZPNMQC-ZNMIVQPWSA-N 1 2 387.307 2.248 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000176583460 532141488 /nfs/dbraw/zinc/14/14/88/532141488.db2.gz VQFIDQPDLKQLPK-BPLDGKMQSA-N 1 2 387.307 2.248 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000176584193 532142133 /nfs/dbraw/zinc/14/21/33/532142133.db2.gz XQJPQNLRYUUBCZ-INIZCTEOSA-N 1 2 386.945 2.364 20 0 GEADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000125929231 532144374 /nfs/dbraw/zinc/14/43/74/532144374.db2.gz WRHCPIFWJXYEAT-IUODEOHRSA-N 1 2 398.301 2.447 20 0 GEADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000125929231 532144375 /nfs/dbraw/zinc/14/43/75/532144375.db2.gz WRHCPIFWJXYEAT-IUODEOHRSA-N 1 2 398.301 2.447 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)sc1Br ZINC000176933909 532156105 /nfs/dbraw/zinc/15/61/05/532156105.db2.gz YWHVMSDIZYOYTA-JTQLQIEISA-N 1 2 397.360 2.066 20 0 GEADLO Cc1csc2nc(C[NH2+][C@](C)(C(N)=O)c3cccc(Cl)c3)cc(=O)n12 ZINC000177393872 532170750 /nfs/dbraw/zinc/17/07/50/532170750.db2.gz QMVNHAZLFHIUQE-KRWDZBQOSA-N 1 2 376.869 2.208 20 0 GEADLO Cc1nc(C)c(S(=O)(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)s1 ZINC000177084788 532161531 /nfs/dbraw/zinc/16/15/31/532161531.db2.gz IUZLXVCSUYTIOE-UHFFFAOYSA-N 1 2 381.523 2.435 20 0 GEADLO CC[N@H+](CCOc1ccc(Br)cc1)Cc1nc(N)nc(N(C)C)n1 ZINC000177155687 532162789 /nfs/dbraw/zinc/16/27/89/532162789.db2.gz OICRZCLLBQWWPL-UHFFFAOYSA-N 1 2 395.305 2.183 20 0 GEADLO CC[N@@H+](CCOc1ccc(Br)cc1)Cc1nc(N)nc(N(C)C)n1 ZINC000177155687 532162792 /nfs/dbraw/zinc/16/27/92/532162792.db2.gz OICRZCLLBQWWPL-UHFFFAOYSA-N 1 2 395.305 2.183 20 0 GEADLO NC(=O)c1cccnc1N1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000177695386 532180039 /nfs/dbraw/zinc/18/00/39/532180039.db2.gz WURQWZYZFLXPBO-UHFFFAOYSA-N 1 2 393.260 2.404 20 0 GEADLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)COc2ccc(Br)cc2)no1 ZINC000129037262 532172250 /nfs/dbraw/zinc/17/22/50/532172250.db2.gz FOFOVCZOACRGGM-UHFFFAOYSA-N 1 2 397.273 2.324 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)[C@H](C)[NH+]1CCOCC1 ZINC000130442769 532192118 /nfs/dbraw/zinc/19/21/18/532192118.db2.gz HAILZZLAZYCMLQ-TYNCELHUSA-N 1 2 383.286 2.151 20 0 GEADLO CCC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000178283579 532198189 /nfs/dbraw/zinc/19/81/89/532198189.db2.gz WTJHGALUNQIUOG-LBPRGKRZSA-N 1 2 378.947 2.259 20 0 GEADLO CCC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000178283579 532198191 /nfs/dbraw/zinc/19/81/91/532198191.db2.gz WTJHGALUNQIUOG-LBPRGKRZSA-N 1 2 378.947 2.259 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000129870209 532186015 /nfs/dbraw/zinc/18/60/15/532186015.db2.gz RLNWOLPWLKOUGI-JTQLQIEISA-N 1 2 394.324 2.321 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000129904973 532187048 /nfs/dbraw/zinc/18/70/48/532187048.db2.gz WZRXIDCMTQTYRP-UHFFFAOYSA-N 1 2 383.221 2.272 20 0 GEADLO NS(=O)(=O)CC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000129975314 532187916 /nfs/dbraw/zinc/18/79/16/532187916.db2.gz IFBHDBXNWIBUDF-UHFFFAOYSA-N 1 2 379.551 2.429 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000178408077 532200882 /nfs/dbraw/zinc/20/08/82/532200882.db2.gz FIXWESVBYMNCBW-DEOSSOPVSA-N 1 2 380.535 2.306 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000178408077 532200887 /nfs/dbraw/zinc/20/08/87/532200887.db2.gz FIXWESVBYMNCBW-DEOSSOPVSA-N 1 2 380.535 2.306 20 0 GEADLO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000131883333 532205528 /nfs/dbraw/zinc/20/55/28/532205528.db2.gz QLUDIWPPEZWHPA-HIFRSBDPSA-N 1 2 383.480 2.430 20 0 GEADLO C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O)[NH+]1CCSCC1 ZINC000132031214 532208321 /nfs/dbraw/zinc/20/83/21/532208321.db2.gz MROXDNAYMUHNGB-XJKSGUPXSA-N 1 2 381.929 2.341 20 0 GEADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000178685152 532210424 /nfs/dbraw/zinc/21/04/24/532210424.db2.gz HZOCXTUYMYUSTF-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO Cc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(Br)n1 ZINC000132230237 532211747 /nfs/dbraw/zinc/21/17/47/532211747.db2.gz FCECGSMUPXXWBY-ZDUSSCGKSA-N 1 2 383.290 2.481 20 0 GEADLO C[C@H](C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)[NH+]1CCSCC1 ZINC000132366546 532213726 /nfs/dbraw/zinc/21/37/26/532213726.db2.gz SQOOAGPHPOQTIA-HIFRSBDPSA-N 1 2 381.929 2.389 20 0 GEADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132518501 532216636 /nfs/dbraw/zinc/21/66/36/532216636.db2.gz LTFINIDXUVFFEJ-UHFFFAOYSA-N 1 2 377.535 2.333 20 0 GEADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCc2ccsc2C1 ZINC000132518501 532216640 /nfs/dbraw/zinc/21/66/40/532216640.db2.gz LTFINIDXUVFFEJ-UHFFFAOYSA-N 1 2 377.535 2.333 20 0 GEADLO O=C(C[NH+]1CCC(OC[C@H]2CCOC2)CC1)Nc1ccc(Br)cn1 ZINC000131604986 532201280 /nfs/dbraw/zinc/20/12/80/532201280.db2.gz YISCSTYUTKYEPN-ZDUSSCGKSA-N 1 2 398.301 2.300 20 0 GEADLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccncc3Br)c[nH+]2)CCO1 ZINC000131635993 532201441 /nfs/dbraw/zinc/20/14/41/532201441.db2.gz CLHTWOMPOVXEME-GFCCVEGCSA-N 1 2 391.269 2.394 20 0 GEADLO Cc1cc(C[NH+]2CCN([C@@H](C(N)=O)c3cccc(Br)c3)CC2)on1 ZINC000131715133 532202246 /nfs/dbraw/zinc/20/22/46/532202246.db2.gz UEYOGADMEDTRBJ-MRXNPFEDSA-N 1 2 393.285 2.090 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)NCCC[S@](C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179224908 532225168 /nfs/dbraw/zinc/22/51/68/532225168.db2.gz MQRJKSWYLGZXKP-ISQRANHSSA-N 1 2 375.897 2.292 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)NCCC[S@](C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179224908 532225174 /nfs/dbraw/zinc/22/51/74/532225174.db2.gz MQRJKSWYLGZXKP-ISQRANHSSA-N 1 2 375.897 2.292 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCCC2(C1)OCCO2)c1ccc(Br)cc1 ZINC000133622285 532239862 /nfs/dbraw/zinc/23/98/62/532239862.db2.gz BSBOMFCNCKQFJL-CYBMUJFWSA-N 1 2 383.286 2.465 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCCC2(C1)OCCO2)c1ccc(Br)cc1 ZINC000133622285 532239867 /nfs/dbraw/zinc/23/98/67/532239867.db2.gz BSBOMFCNCKQFJL-CYBMUJFWSA-N 1 2 383.286 2.465 20 0 GEADLO O=C(C[C@@H](O)c1ccc(Cl)cc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000179730559 532241698 /nfs/dbraw/zinc/24/16/98/532241698.db2.gz MULYVFUSJPBASG-SJLPKXTDSA-N 1 2 384.929 2.088 20 0 GEADLO CCOc1c(Cl)cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)cc1OC ZINC000179902487 532249999 /nfs/dbraw/zinc/24/99/99/532249999.db2.gz YBJOUOMSCGHHSC-UHFFFAOYSA-N 1 2 376.906 2.215 20 0 GEADLO CCOc1c(Cl)cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)cc1OC ZINC000179902487 532250002 /nfs/dbraw/zinc/25/00/02/532250002.db2.gz YBJOUOMSCGHHSC-UHFFFAOYSA-N 1 2 376.906 2.215 20 0 GEADLO CC(C)(O)CSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000134313631 532254088 /nfs/dbraw/zinc/25/40/88/532254088.db2.gz WWONXYYJALOBEP-UHFFFAOYSA-N 1 2 383.539 2.043 20 0 GEADLO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000179996779 532252821 /nfs/dbraw/zinc/25/28/21/532252821.db2.gz QTQCZNUQGFIMGK-GHMZBOCLSA-N 1 2 389.315 2.017 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)c1cnn2cc(Br)cnc12 ZINC000179590395 532236738 /nfs/dbraw/zinc/23/67/38/532236738.db2.gz YUYVPNFMCUZAGD-UHFFFAOYSA-N 1 2 375.230 2.119 20 0 GEADLO CN(Cc1cc(Br)cn1C)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000133555317 532237532 /nfs/dbraw/zinc/23/75/32/532237532.db2.gz AHDDEZFLEMEKKI-ZDUSSCGKSA-N 1 2 394.317 2.423 20 0 GEADLO CN(Cc1cc(Br)cn1C)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000133555317 532237534 /nfs/dbraw/zinc/23/75/34/532237534.db2.gz AHDDEZFLEMEKKI-ZDUSSCGKSA-N 1 2 394.317 2.423 20 0 GEADLO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Br)c(O)c2)CC1 ZINC000133598764 532238893 /nfs/dbraw/zinc/23/88/93/532238893.db2.gz OAUIHHBHGZVQNE-ZDUSSCGKSA-N 1 2 384.318 2.158 20 0 GEADLO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(Br)c(O)c2)CC1 ZINC000133598764 532238899 /nfs/dbraw/zinc/23/88/99/532238899.db2.gz OAUIHHBHGZVQNE-ZDUSSCGKSA-N 1 2 384.318 2.158 20 0 GEADLO CCC[N@H+](Cc1cnc2ccc(Br)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000179639075 532239161 /nfs/dbraw/zinc/23/91/61/532239161.db2.gz BNTSHGMAUXKCBQ-ZDUSSCGKSA-N 1 2 386.315 2.496 20 0 GEADLO CCC[N@@H+](Cc1cnc2ccc(Br)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000179639075 532239166 /nfs/dbraw/zinc/23/91/66/532239166.db2.gz BNTSHGMAUXKCBQ-ZDUSSCGKSA-N 1 2 386.315 2.496 20 0 GEADLO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCn2cnnc2C1 ZINC000135392316 532272063 /nfs/dbraw/zinc/27/20/63/532272063.db2.gz KVEVOMTYOGSHQN-MRXNPFEDSA-N 1 2 390.285 2.220 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000134344322 532254961 /nfs/dbraw/zinc/25/49/61/532254961.db2.gz QVDWRSNBVGDOGD-GFCCVEGCSA-N 1 2 379.295 2.490 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000134344322 532254964 /nfs/dbraw/zinc/25/49/64/532254964.db2.gz QVDWRSNBVGDOGD-GFCCVEGCSA-N 1 2 379.295 2.490 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135551242 532275730 /nfs/dbraw/zinc/27/57/30/532275730.db2.gz JTBUUJUUDQHYLL-UONOGXRCSA-N 1 2 396.314 2.131 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135551242 532275734 /nfs/dbraw/zinc/27/57/34/532275734.db2.gz JTBUUJUUDQHYLL-UONOGXRCSA-N 1 2 396.314 2.131 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1Cl ZINC000135743495 532278514 /nfs/dbraw/zinc/27/85/14/532278514.db2.gz SEYMJKDMXKYWBK-HNNXBMFYSA-N 1 2 385.917 2.087 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1Cl ZINC000135743495 532278521 /nfs/dbraw/zinc/27/85/21/532278521.db2.gz SEYMJKDMXKYWBK-HNNXBMFYSA-N 1 2 385.917 2.087 20 0 GEADLO O=S(=O)([C@H]1CC[N@@H+](Cc2cc(O)ccc2Br)C1)N1CCCC1 ZINC000180747028 532279745 /nfs/dbraw/zinc/27/97/45/532279745.db2.gz QRBDCVJOONJOND-AWEZNQCLSA-N 1 2 389.315 2.155 20 0 GEADLO O=S(=O)([C@H]1CC[N@H+](Cc2cc(O)ccc2Br)C1)N1CCCC1 ZINC000180747028 532279747 /nfs/dbraw/zinc/27/97/47/532279747.db2.gz QRBDCVJOONJOND-AWEZNQCLSA-N 1 2 389.315 2.155 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)ccc1Br ZINC000136010476 532282029 /nfs/dbraw/zinc/28/20/29/532282029.db2.gz XBQDMFTVSDIFIY-LBPRGKRZSA-N 1 2 391.269 2.271 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2sccc2Br)[C@H](C)C1 ZINC000180819892 532282974 /nfs/dbraw/zinc/28/29/74/532282974.db2.gz MVGIJKYTKOQZGR-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2sccc2Br)[C@H](C)C1 ZINC000180819892 532282978 /nfs/dbraw/zinc/28/29/78/532282978.db2.gz MVGIJKYTKOQZGR-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1cccnc1Cl ZINC000180885507 532284645 /nfs/dbraw/zinc/28/46/45/532284645.db2.gz BVUFQZRNJDTMQA-CYBMUJFWSA-N 1 2 383.901 2.199 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000136567651 532285923 /nfs/dbraw/zinc/28/59/23/532285923.db2.gz CVZQWTWFXZYLMJ-DOMZBBRYSA-N 1 2 381.325 2.429 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000136567651 532285924 /nfs/dbraw/zinc/28/59/24/532285924.db2.gz CVZQWTWFXZYLMJ-DOMZBBRYSA-N 1 2 381.325 2.429 20 0 GEADLO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ncc(Br)s1 ZINC000181178682 532292256 /nfs/dbraw/zinc/29/22/56/532292256.db2.gz VEKBZLLVTHKUAD-VHSXEESVSA-N 1 2 384.303 2.485 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139053800 532292572 /nfs/dbraw/zinc/29/25/72/532292572.db2.gz JWFVVXKUSIKNTF-DOMZBBRYSA-N 1 2 395.301 2.266 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139053800 532292576 /nfs/dbraw/zinc/29/25/76/532292576.db2.gz JWFVVXKUSIKNTF-DOMZBBRYSA-N 1 2 395.301 2.266 20 0 GEADLO CCOC(=O)C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C(C)C ZINC000140076815 532293805 /nfs/dbraw/zinc/29/38/05/532293805.db2.gz SRFRTNOEKCAEJP-UHFFFAOYSA-N 1 2 382.258 2.231 20 0 GEADLO CCOC(=O)C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C(C)C ZINC000140076815 532293809 /nfs/dbraw/zinc/29/38/09/532293809.db2.gz SRFRTNOEKCAEJP-UHFFFAOYSA-N 1 2 382.258 2.231 20 0 GEADLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181261638 532294282 /nfs/dbraw/zinc/29/42/82/532294282.db2.gz NWQFQGPGOCBEPN-MFKMUULPSA-N 1 2 375.416 2.498 20 0 GEADLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181261638 532294283 /nfs/dbraw/zinc/29/42/83/532294283.db2.gz NWQFQGPGOCBEPN-MFKMUULPSA-N 1 2 375.416 2.498 20 0 GEADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000141780311 532295516 /nfs/dbraw/zinc/29/55/16/532295516.db2.gz FFAZXKPTIIVISU-LBPRGKRZSA-N 1 2 376.463 2.239 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN(c2cnccn2)CC1 ZINC000141877624 532295561 /nfs/dbraw/zinc/29/55/61/532295561.db2.gz FUIIGRCCIHBOFQ-CYBMUJFWSA-N 1 2 390.285 2.388 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000181345804 532296041 /nfs/dbraw/zinc/29/60/41/532296041.db2.gz MTZVFEFTAOSKRC-ZDUSSCGKSA-N 1 2 383.290 2.481 20 0 GEADLO O=S1(=O)CCN(C2CC[NH+](Cc3sccc3Br)CC2)CC1 ZINC000181750531 532305572 /nfs/dbraw/zinc/30/55/72/532305572.db2.gz AANOVDHFBPIZBS-UHFFFAOYSA-N 1 2 393.372 2.205 20 0 GEADLO CCc1nc(NC(=O)C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)sc1C ZINC000181795098 532306452 /nfs/dbraw/zinc/30/64/52/532306452.db2.gz CKNOSARVCJRPGE-OAHLLOKOSA-N 1 2 381.523 2.328 20 0 GEADLO CC(C)c1nnc(NC(=O)C[NH2+][C@](C)(C(N)=O)c2cccc(Cl)c2)s1 ZINC000137974125 532291100 /nfs/dbraw/zinc/29/11/00/532291100.db2.gz WHWVLCKTTBEJII-INIZCTEOSA-N 1 2 381.889 2.244 20 0 GEADLO Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cnc1Br ZINC000182448779 532313117 /nfs/dbraw/zinc/31/31/17/532313117.db2.gz NXEBGKILRIVQOQ-AWEZNQCLSA-N 1 2 383.290 2.481 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)n1 ZINC000185475602 532337884 /nfs/dbraw/zinc/33/78/84/532337884.db2.gz CDPFDLMLRIKXII-ZNMIVQPWSA-N 1 2 387.933 2.306 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)n1 ZINC000185475602 532337885 /nfs/dbraw/zinc/33/78/85/532337885.db2.gz CDPFDLMLRIKXII-ZNMIVQPWSA-N 1 2 387.933 2.306 20 0 GEADLO O=S(=O)(c1cc(Br)cc2c1OCC2)N1CCOc2cc[nH+]cc21 ZINC000185605380 532338093 /nfs/dbraw/zinc/33/80/93/532338093.db2.gz CDXQZGFOGSRYOZ-UHFFFAOYSA-N 1 2 397.250 2.367 20 0 GEADLO O=C(CC[N@@H+]1CCN(c2cccs2)C(=O)C1)N1CCc2sccc2C1 ZINC000186118852 532339881 /nfs/dbraw/zinc/33/98/81/532339881.db2.gz LPOWNJQRGHPPGC-UHFFFAOYSA-N 1 2 375.519 2.433 20 0 GEADLO O=C(CC[N@H+]1CCN(c2cccs2)C(=O)C1)N1CCc2sccc2C1 ZINC000186118852 532339882 /nfs/dbraw/zinc/33/98/82/532339882.db2.gz LPOWNJQRGHPPGC-UHFFFAOYSA-N 1 2 375.519 2.433 20 0 GEADLO COc1cccc(OC)c1S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000186394688 532340767 /nfs/dbraw/zinc/34/07/67/532340767.db2.gz RBAVZLODQZPQEH-UHFFFAOYSA-N 1 2 382.507 2.102 20 0 GEADLO COc1cccc(OC)c1S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000186394688 532340768 /nfs/dbraw/zinc/34/07/68/532340768.db2.gz RBAVZLODQZPQEH-UHFFFAOYSA-N 1 2 382.507 2.102 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183686401 532327733 /nfs/dbraw/zinc/32/77/33/532327733.db2.gz GMSDXAUFKOCRIY-GFCCVEGCSA-N 1 2 384.395 2.280 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183686401 532327734 /nfs/dbraw/zinc/32/77/34/532327734.db2.gz GMSDXAUFKOCRIY-GFCCVEGCSA-N 1 2 384.395 2.280 20 0 GEADLO CCN(C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000184496233 532333120 /nfs/dbraw/zinc/33/31/20/532333120.db2.gz UTHUTVYXTJJXAG-STQMWFEESA-N 1 2 387.571 2.127 20 0 GEADLO COc1cc(C)c(Br)cc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000184638787 532333978 /nfs/dbraw/zinc/33/39/78/532333978.db2.gz GQCZRTVHDHBCRW-UHFFFAOYSA-N 1 2 395.257 2.108 20 0 GEADLO C[C@H]1CCCN1S(=O)(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000184872947 532335083 /nfs/dbraw/zinc/33/50/83/532335083.db2.gz YPIPKFUQOCJQJV-HNNXBMFYSA-N 1 2 387.933 2.066 20 0 GEADLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000187900548 532346041 /nfs/dbraw/zinc/34/60/41/532346041.db2.gz QIIUBRLXBFSQCS-UHFFFAOYSA-N 1 2 385.288 2.475 20 0 GEADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000187959581 532346141 /nfs/dbraw/zinc/34/61/41/532346141.db2.gz CTUYQYHHNHQRTL-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO Cc1nc(N2CCN(C(=O)Nc3cccc(Br)n3)CC2)cc[nH+]1 ZINC000188569181 532348726 /nfs/dbraw/zinc/34/87/26/532348726.db2.gz XVXOTMHTABWCAV-UHFFFAOYSA-N 1 2 377.246 2.297 20 0 GEADLO O=S(=O)(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1ccco1 ZINC000188635024 532348896 /nfs/dbraw/zinc/34/88/96/532348896.db2.gz LOQDZMVQBSZJFE-UHFFFAOYSA-N 1 2 383.901 2.424 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC[N@@H+]1CCO ZINC000188727967 532349470 /nfs/dbraw/zinc/34/94/70/532349470.db2.gz LBFJYYYAWAAGDF-VIFPVBQESA-N 1 2 387.716 2.334 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC[N@H+]1CCO ZINC000188727967 532349471 /nfs/dbraw/zinc/34/94/71/532349471.db2.gz LBFJYYYAWAAGDF-VIFPVBQESA-N 1 2 387.716 2.334 20 0 GEADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000188775406 532349636 /nfs/dbraw/zinc/34/96/36/532349636.db2.gz ZHPGJQSOIXKXEK-HOCLYGCPSA-N 1 2 382.254 2.223 20 0 GEADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000188775406 532349637 /nfs/dbraw/zinc/34/96/37/532349637.db2.gz ZHPGJQSOIXKXEK-HOCLYGCPSA-N 1 2 382.254 2.223 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cc(Br)ncc1Cl)[NH+]1CCOCC1 ZINC000188848334 532349916 /nfs/dbraw/zinc/34/99/16/532349916.db2.gz JQYPGFGYHUCVLY-VHSXEESVSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@H]1CN(c2ccc(CNC(=O)c3ncc(Br)s3)c[nH+]2)CCO1 ZINC000189117572 532350914 /nfs/dbraw/zinc/35/09/14/532350914.db2.gz MLNPTDAVLAIRSA-JTQLQIEISA-N 1 2 397.298 2.456 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000189696928 532353351 /nfs/dbraw/zinc/35/33/51/532353351.db2.gz RTAWCAZSZNXWHH-CQSZACIVSA-N 1 2 387.311 2.204 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000189972415 532354383 /nfs/dbraw/zinc/35/43/83/532354383.db2.gz KLWKKMBNMGESQN-UHFFFAOYSA-N 1 2 379.463 2.012 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)C1(c2ccccc2Br)CC1 ZINC000190433920 532356041 /nfs/dbraw/zinc/35/60/41/532356041.db2.gz QVMBMAIPXUFNMO-AWEZNQCLSA-N 1 2 379.298 2.460 20 0 GEADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)C1(c2ccccc2Br)CC1 ZINC000190433920 532356042 /nfs/dbraw/zinc/35/60/42/532356042.db2.gz QVMBMAIPXUFNMO-AWEZNQCLSA-N 1 2 379.298 2.460 20 0 GEADLO C[N@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)[C@@H]1CCNC1=O ZINC000190519766 532356444 /nfs/dbraw/zinc/35/64/44/532356444.db2.gz FOFNVCWUWMACNO-UKRRQHHQSA-N 1 2 383.286 2.327 20 0 GEADLO C[N@@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)[C@@H]1CCNC1=O ZINC000190519766 532356445 /nfs/dbraw/zinc/35/64/45/532356445.db2.gz FOFNVCWUWMACNO-UKRRQHHQSA-N 1 2 383.286 2.327 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000190506682 532356568 /nfs/dbraw/zinc/35/65/68/532356568.db2.gz IRZIKDOJZXSYIL-AWEZNQCLSA-N 1 2 390.933 2.468 20 0 GEADLO CCS(=O)(=O)CCCCC[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000190598758 532357038 /nfs/dbraw/zinc/35/70/38/532357038.db2.gz CLVWJHUSUQSVTM-UHFFFAOYSA-N 1 2 382.555 2.418 20 0 GEADLO CC(C)n1cnc(S(=O)(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000190656952 532357386 /nfs/dbraw/zinc/35/73/86/532357386.db2.gz VZHBICWEWBWVOG-UHFFFAOYSA-N 1 2 382.917 2.454 20 0 GEADLO CC(C)n1cnc(S(=O)(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000190656952 532357387 /nfs/dbraw/zinc/35/73/87/532357387.db2.gz VZHBICWEWBWVOG-UHFFFAOYSA-N 1 2 382.917 2.454 20 0 GEADLO CCS(=O)(=O)CCCCC[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000190764104 532357821 /nfs/dbraw/zinc/35/78/21/532357821.db2.gz CEHQNHVUQRDQDK-UHFFFAOYSA-N 1 2 382.555 2.418 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000190834867 532358209 /nfs/dbraw/zinc/35/82/09/532358209.db2.gz LJBJSKMHKRSQJJ-HNNXBMFYSA-N 1 2 389.587 2.313 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000190834867 532358210 /nfs/dbraw/zinc/35/82/10/532358210.db2.gz LJBJSKMHKRSQJJ-HNNXBMFYSA-N 1 2 389.587 2.313 20 0 GEADLO C[C@@H]1C[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C[C@H]1CO ZINC000190918683 532358841 /nfs/dbraw/zinc/35/88/41/532358841.db2.gz TXMSIIGVZQLGAH-ZJUUUORDSA-N 1 2 375.782 2.395 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C[C@H]1CO ZINC000190918683 532358842 /nfs/dbraw/zinc/35/88/42/532358842.db2.gz TXMSIIGVZQLGAH-ZJUUUORDSA-N 1 2 375.782 2.395 20 0 GEADLO C[C@H]1CC(O)C[C@H](C)[NH+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000191171003 532359724 /nfs/dbraw/zinc/35/97/24/532359724.db2.gz WBZSQUTVHSZATF-RYUDHWBXSA-N 1 2 376.316 2.457 20 0 GEADLO CS(=O)(=O)CC[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)C1CC1 ZINC000187325309 532344040 /nfs/dbraw/zinc/34/40/40/532344040.db2.gz KCYPXHNZFZYDDY-AWEZNQCLSA-N 1 2 380.279 2.131 20 0 GEADLO CS(=O)(=O)CC[N@@H+](C[C@H](O)c1ccc(F)c(Br)c1)C1CC1 ZINC000187325309 532344041 /nfs/dbraw/zinc/34/40/41/532344041.db2.gz KCYPXHNZFZYDDY-AWEZNQCLSA-N 1 2 380.279 2.131 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O)c1ccc(Br)cc1 ZINC000187431649 532344486 /nfs/dbraw/zinc/34/44/86/532344486.db2.gz JTZJBHZQZNMNHG-XUJVJEKNSA-N 1 2 382.302 2.212 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O)c1ccc(Br)cc1 ZINC000187431649 532344487 /nfs/dbraw/zinc/34/44/87/532344487.db2.gz JTZJBHZQZNMNHG-XUJVJEKNSA-N 1 2 382.302 2.212 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000372139887 532374030 /nfs/dbraw/zinc/37/40/30/532374030.db2.gz HGCFAILRSGCACA-CYBMUJFWSA-N 1 2 391.269 2.308 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@@H+](C)CC(=O)N(C)C)C2=O)ccc1Br ZINC000463487501 532375930 /nfs/dbraw/zinc/37/59/30/532375930.db2.gz XAWHOXICKWGJMQ-HNNXBMFYSA-N 1 2 382.302 2.273 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@H+](C)CC(=O)N(C)C)C2=O)ccc1Br ZINC000463487501 532375934 /nfs/dbraw/zinc/37/59/34/532375934.db2.gz XAWHOXICKWGJMQ-HNNXBMFYSA-N 1 2 382.302 2.273 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CCS(=O)(=O)CC[C@@H]1C)c1ccsc1 ZINC000191973933 532377341 /nfs/dbraw/zinc/37/73/41/532377341.db2.gz ZFNQZPVLHKUWON-HOCLYGCPSA-N 1 2 387.571 2.350 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(=O)n1C ZINC000277960542 532367193 /nfs/dbraw/zinc/36/71/93/532367193.db2.gz HDKGSDBVRZLFJA-LLVKDONJSA-N 1 2 379.258 2.199 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C[C@@H]1C ZINC000677173501 532367733 /nfs/dbraw/zinc/36/77/33/532367733.db2.gz OXIVSLQXXUUNSI-AWEZNQCLSA-N 1 2 385.555 2.089 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C[C@@H]1C ZINC000677173501 532367742 /nfs/dbraw/zinc/36/77/42/532367742.db2.gz OXIVSLQXXUUNSI-AWEZNQCLSA-N 1 2 385.555 2.089 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@]34CCC(=O)N3CCS4)n2)C1 ZINC000557559930 532367962 /nfs/dbraw/zinc/36/79/62/532367962.db2.gz ZDBPZXZGVNQRRY-SJCJKPOMSA-N 1 2 380.539 2.379 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@]34CCC(=O)N3CCS4)n2)C1 ZINC000557559930 532367969 /nfs/dbraw/zinc/36/79/69/532367969.db2.gz ZDBPZXZGVNQRRY-SJCJKPOMSA-N 1 2 380.539 2.379 20 0 GEADLO OCCNc1nc(NCc2cc(F)ccc2Br)[nH+]c2ccccc21 ZINC000515550854 532368079 /nfs/dbraw/zinc/36/80/79/532368079.db2.gz QODZWPFVTBYKJZ-UHFFFAOYSA-N 1 2 391.244 2.392 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000278006310 532368241 /nfs/dbraw/zinc/36/82/41/532368241.db2.gz SCNOUAOBRKGDNF-CYBMUJFWSA-N 1 2 383.286 2.197 20 0 GEADLO CC[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CCO1 ZINC000515548564 532368255 /nfs/dbraw/zinc/36/82/55/532368255.db2.gz GZWCJKURGKXOLM-OAHLLOKOSA-N 1 2 385.302 2.397 20 0 GEADLO CC[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CCO1 ZINC000515548564 532368263 /nfs/dbraw/zinc/36/82/63/532368263.db2.gz GZWCJKURGKXOLM-OAHLLOKOSA-N 1 2 385.302 2.397 20 0 GEADLO O=C(c1n[nH]c2ccc(I)cc21)N1CCn2cc[nH+]c2C1 ZINC000463671941 532379499 /nfs/dbraw/zinc/37/94/99/532379499.db2.gz ZGASQTIZRCVEOQ-UHFFFAOYSA-N 1 2 393.188 2.020 20 0 GEADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000425295700 532381140 /nfs/dbraw/zinc/38/11/40/532381140.db2.gz PUDTZHRRJFCVNV-CYBMUJFWSA-N 1 2 387.307 2.224 20 0 GEADLO O=S1(=O)CC[C@@H](CC[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000677675846 532381608 /nfs/dbraw/zinc/38/16/08/532381608.db2.gz HWNKIGSDBQVORE-MRXNPFEDSA-N 1 2 386.945 2.161 20 0 GEADLO C[NH+](C)C1CCN(CCNC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000294786502 532383007 /nfs/dbraw/zinc/38/30/07/532383007.db2.gz APGGCTOJXCFJFC-UHFFFAOYSA-N 1 2 388.281 2.050 20 0 GEADLO O=C(NC[C@H]1CCCn2cc[nH+]c21)c1ccncc1I ZINC000372312149 532383399 /nfs/dbraw/zinc/38/33/99/532383399.db2.gz SPHXYZPLIWJCTN-SNVBAGLBSA-N 1 2 382.205 2.190 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000590729125 532383842 /nfs/dbraw/zinc/38/38/42/532383842.db2.gz VZEPBSIXVBPFPI-CYBMUJFWSA-N 1 2 382.873 2.385 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@@H](n2ccnn2)C1)c1ccc(Br)cc1 ZINC000516280995 532384032 /nfs/dbraw/zinc/38/40/32/532384032.db2.gz WWZXCQHHVHXBGM-CQSZACIVSA-N 1 2 399.314 2.151 20 0 GEADLO O=S(=O)(CC[N@H+]1CCC[C@@H](n2ccnn2)C1)c1ccc(Br)cc1 ZINC000516280995 532384039 /nfs/dbraw/zinc/38/40/39/532384039.db2.gz WWZXCQHHVHXBGM-CQSZACIVSA-N 1 2 399.314 2.151 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)s1 ZINC000425386670 532384157 /nfs/dbraw/zinc/38/41/57/532384157.db2.gz SGCPYTNMZZNERW-CYBMUJFWSA-N 1 2 382.507 2.270 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)s1 ZINC000425386670 532384170 /nfs/dbraw/zinc/38/41/70/532384170.db2.gz SGCPYTNMZZNERW-CYBMUJFWSA-N 1 2 382.507 2.270 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cs1 ZINC000463858625 532385447 /nfs/dbraw/zinc/38/54/47/532385447.db2.gz LOHQMRDKDLYPJC-UHFFFAOYSA-N 1 2 377.447 2.403 20 0 GEADLO CC(C)OCCOC[C@H](O)C[N@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC000558098051 532385626 /nfs/dbraw/zinc/38/56/26/532385626.db2.gz MHYHUKBLVBMGJC-GXTWGEPZSA-N 1 2 376.295 2.034 20 0 GEADLO CC(C)OCCOC[C@H](O)C[N@@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC000558098051 532385631 /nfs/dbraw/zinc/38/56/31/532385631.db2.gz MHYHUKBLVBMGJC-GXTWGEPZSA-N 1 2 376.295 2.034 20 0 GEADLO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302785 532386497 /nfs/dbraw/zinc/38/64/97/532386497.db2.gz PBRYDMMUQPXKCD-QWRGUYRKSA-N 1 2 381.263 2.439 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623301916 532386516 /nfs/dbraw/zinc/38/65/16/532386516.db2.gz WFJFYOGJOQQHHX-CYBMUJFWSA-N 1 2 392.253 2.358 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000372358437 532387062 /nfs/dbraw/zinc/38/70/62/532387062.db2.gz IRJBEHFAPCDARG-BRWVUGGUSA-N 1 2 394.313 2.451 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000372358437 532387067 /nfs/dbraw/zinc/38/70/67/532387067.db2.gz IRJBEHFAPCDARG-BRWVUGGUSA-N 1 2 394.313 2.451 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000279151265 532389480 /nfs/dbraw/zinc/38/94/80/532389480.db2.gz APPXTVHEQGWSJH-UHFFFAOYSA-N 1 2 395.305 2.151 20 0 GEADLO Cn1ncc(Br)c1C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000279151265 532389486 /nfs/dbraw/zinc/38/94/86/532389486.db2.gz APPXTVHEQGWSJH-UHFFFAOYSA-N 1 2 395.305 2.151 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc3c(Br)cccc3cn2)CCO1 ZINC000648236638 532389599 /nfs/dbraw/zinc/38/95/99/532389599.db2.gz XNVBPOIWBUXOIC-GFCCVEGCSA-N 1 2 378.270 2.448 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc3c(Br)cccc3cn2)CCO1 ZINC000648236638 532389608 /nfs/dbraw/zinc/38/96/08/532389608.db2.gz XNVBPOIWBUXOIC-GFCCVEGCSA-N 1 2 378.270 2.448 20 0 GEADLO Cn1ncc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1Cl ZINC000294994140 532395701 /nfs/dbraw/zinc/39/57/01/532395701.db2.gz PKZCIQWAVSNMCY-UHFFFAOYSA-N 1 2 382.295 2.279 20 0 GEADLO C[C@@H]1CC[N@H+](CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)CCS1 ZINC000192182806 532391723 /nfs/dbraw/zinc/39/17/23/532391723.db2.gz KVDJHYUITXNPDD-NVXWUHKLSA-N 1 2 388.599 2.162 20 0 GEADLO C[C@@H]1CC[N@@H+](CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)CCS1 ZINC000192182806 532391732 /nfs/dbraw/zinc/39/17/32/532391732.db2.gz KVDJHYUITXNPDD-NVXWUHKLSA-N 1 2 388.599 2.162 20 0 GEADLO CC(C)(CO)[C@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1cccs1 ZINC000558470801 532392660 /nfs/dbraw/zinc/39/26/60/532392660.db2.gz TVYZPTXYDLCZNX-MRXNPFEDSA-N 1 2 379.507 2.419 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)c1cccnc1-n1cc(Br)cn1 ZINC000516907457 532395750 /nfs/dbraw/zinc/39/57/50/532395750.db2.gz BADYUGUKEMPGFX-UHFFFAOYSA-N 1 2 389.257 2.437 20 0 GEADLO COC(=O)c1cccc(NC(=O)N2CCn3c[nH+]cc3C2)c1Br ZINC000516896192 532395818 /nfs/dbraw/zinc/39/58/18/532395818.db2.gz DQMYNWGRODAUIM-UHFFFAOYSA-N 1 2 379.214 2.480 20 0 GEADLO COC(=O)c1cc(NC(=O)NCCc2cn(C)c[nH+]2)c(Br)cc1F ZINC000590956554 532394485 /nfs/dbraw/zinc/39/44/85/532394485.db2.gz PTBRQXZKAXYCBT-UHFFFAOYSA-N 1 2 399.220 2.473 20 0 GEADLO CN(C)c1cc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)[nH+]cc1Br ZINC000648411653 532394741 /nfs/dbraw/zinc/39/47/41/532394741.db2.gz LZTPZXWZDFNXIS-LBPRGKRZSA-N 1 2 381.274 2.250 20 0 GEADLO CCn1nnc(C)c1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000294987119 532394761 /nfs/dbraw/zinc/39/47/61/532394761.db2.gz QDDBIQQNLBIGCI-UHFFFAOYSA-N 1 2 391.273 2.298 20 0 GEADLO COCc1nn(C)cc1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000295024835 532397944 /nfs/dbraw/zinc/39/79/44/532397944.db2.gz UWVVPUQEGZAZDD-UHFFFAOYSA-N 1 2 392.257 2.215 20 0 GEADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000591019779 532396283 /nfs/dbraw/zinc/39/62/83/532396283.db2.gz CKZURYPZZGGDMC-AWEZNQCLSA-N 1 2 387.274 2.288 20 0 GEADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000591019779 532396291 /nfs/dbraw/zinc/39/62/91/532396291.db2.gz CKZURYPZZGGDMC-AWEZNQCLSA-N 1 2 387.274 2.288 20 0 GEADLO Cn1nc(Br)cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000192300468 532399539 /nfs/dbraw/zinc/39/95/39/532399539.db2.gz HTCUWGJQFVBTMD-UHFFFAOYSA-N 1 2 379.258 2.267 20 0 GEADLO O[C@@H](CN1CCc2c(Br)ccc(Cl)c2C1)C[NH+]1CCOCC1 ZINC000464587591 532400856 /nfs/dbraw/zinc/40/08/56/532400856.db2.gz UEHRYGAQOYJGQB-GFCCVEGCSA-N 1 2 389.721 2.154 20 0 GEADLO O[C@H](CN1CCOCC1)C[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464587591 532400866 /nfs/dbraw/zinc/40/08/66/532400866.db2.gz UEHRYGAQOYJGQB-GFCCVEGCSA-N 1 2 389.721 2.154 20 0 GEADLO O[C@H](CN1CCOCC1)C[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464587591 532400873 /nfs/dbraw/zinc/40/08/73/532400873.db2.gz UEHRYGAQOYJGQB-GFCCVEGCSA-N 1 2 389.721 2.154 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@@H+]1CCSC(CC)(CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000464573256 532398926 /nfs/dbraw/zinc/39/89/26/532398926.db2.gz UNVKERGTYPUBMS-CVEARBPZSA-N 1 2 390.615 2.408 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@H+]1CCSC(CC)(CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000464573256 532398931 /nfs/dbraw/zinc/39/89/31/532398931.db2.gz UNVKERGTYPUBMS-CVEARBPZSA-N 1 2 390.615 2.408 20 0 GEADLO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000678631077 532399251 /nfs/dbraw/zinc/39/92/51/532399251.db2.gz XQGQPKOBGFVHCQ-KBPBESRZSA-N 1 2 375.296 2.140 20 0 GEADLO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000678631081 532399319 /nfs/dbraw/zinc/39/93/19/532399319.db2.gz XQGQPKOBGFVHCQ-ZIAGYGMSSA-N 1 2 375.296 2.140 20 0 GEADLO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000678631079 532399340 /nfs/dbraw/zinc/39/93/40/532399340.db2.gz XQGQPKOBGFVHCQ-KGLIPLIRSA-N 1 2 375.296 2.140 20 0 GEADLO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000648822110 532403532 /nfs/dbraw/zinc/40/35/32/532403532.db2.gz KYHYXFYHPHTDLP-DOTOQJQBSA-N 1 2 379.298 2.412 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCc1cccs1)c1ccccc1Cl ZINC000559418695 532401660 /nfs/dbraw/zinc/40/16/60/532401660.db2.gz TULHVKUNFQMJHO-INIZCTEOSA-N 1 2 379.913 2.479 20 0 GEADLO O=C(NCc1cn2ccccc2[nH+]1)C(=O)NCc1ccsc1Br ZINC000559426432 532403893 /nfs/dbraw/zinc/40/38/93/532403893.db2.gz VURBOJROYUWPDR-UHFFFAOYSA-N 1 2 393.266 2.091 20 0 GEADLO CCSCC[C@H](C)[N@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000464861309 532407367 /nfs/dbraw/zinc/40/73/67/532407367.db2.gz SYWIIEOHCGZIEO-RDJZCZTQSA-N 1 2 390.615 2.408 20 0 GEADLO CCSCC[C@H](C)[N@@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000464861309 532407370 /nfs/dbraw/zinc/40/73/70/532407370.db2.gz SYWIIEOHCGZIEO-RDJZCZTQSA-N 1 2 390.615 2.408 20 0 GEADLO C[C@]1(C(N)=O)CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000280243960 532409657 /nfs/dbraw/zinc/40/96/57/532409657.db2.gz ZZLPLPIKRRYIKC-YJBOKZPZSA-N 1 2 394.313 2.310 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000648921814 532410165 /nfs/dbraw/zinc/41/01/65/532410165.db2.gz MPYSQDKHHIOVOS-PHIMTYICSA-N 1 2 387.249 2.190 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000648921814 532410171 /nfs/dbraw/zinc/41/01/71/532410171.db2.gz MPYSQDKHHIOVOS-PHIMTYICSA-N 1 2 387.249 2.190 20 0 GEADLO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427044594 532410427 /nfs/dbraw/zinc/41/04/27/532410427.db2.gz IJLOLPMWTABWIL-ZDUSSCGKSA-N 1 2 391.269 2.332 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)c1ccc(Br)cc1-n1cncn1 ZINC000559898736 532408688 /nfs/dbraw/zinc/40/86/88/532408688.db2.gz DXOUZYWBVREJPY-UHFFFAOYSA-N 1 2 387.241 2.267 20 0 GEADLO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000625134630 532411150 /nfs/dbraw/zinc/41/11/50/532411150.db2.gz QZDGJTHBBIYOKU-SNVBAGLBSA-N 1 2 388.262 2.386 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000192805378 532411593 /nfs/dbraw/zinc/41/15/93/532411593.db2.gz WBABJLROZQWJAP-CHWSQXEVSA-N 1 2 395.352 2.154 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000192805378 532411603 /nfs/dbraw/zinc/41/16/03/532411603.db2.gz WBABJLROZQWJAP-CHWSQXEVSA-N 1 2 395.352 2.154 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CCc1ccc(Br)cc1 ZINC000517342183 532412701 /nfs/dbraw/zinc/41/27/01/532412701.db2.gz YKAIZJIURSDGIH-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CCc1ccc(Br)cc1 ZINC000517342183 532412712 /nfs/dbraw/zinc/41/27/12/532412712.db2.gz YKAIZJIURSDGIH-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000372825613 532410956 /nfs/dbraw/zinc/41/09/56/532410956.db2.gz XCJQIIDULJJXQB-GJZGRUSLSA-N 1 2 376.881 2.152 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000372825613 532410964 /nfs/dbraw/zinc/41/09/64/532410964.db2.gz XCJQIIDULJJXQB-GJZGRUSLSA-N 1 2 376.881 2.152 20 0 GEADLO O=C(Nc1cccc(C(F)F)c1Cl)N(CCO)CC[NH+]1CCOCC1 ZINC000680491176 532414025 /nfs/dbraw/zinc/41/40/25/532414025.db2.gz SPAAVFKCQLROTJ-UHFFFAOYSA-N 1 2 377.819 2.436 20 0 GEADLO Cc1nnc(CNC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)o1 ZINC000680499838 532414434 /nfs/dbraw/zinc/41/44/34/532414434.db2.gz AIOXBABXBWGTFZ-UHFFFAOYSA-N 1 2 393.245 2.139 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](CO)CC3CC3)[nH+]c12 ZINC000680390026 532413486 /nfs/dbraw/zinc/41/34/86/532413486.db2.gz AGKGYXPUDUKNHQ-HNNXBMFYSA-N 1 2 395.301 2.408 20 0 GEADLO NC(=O)[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)c1ccccn1 ZINC000295190068 532415741 /nfs/dbraw/zinc/41/57/41/532415741.db2.gz XCYOWGZVMIOLFB-HNNXBMFYSA-N 1 2 392.253 2.322 20 0 GEADLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000295192598 532416396 /nfs/dbraw/zinc/41/63/96/532416396.db2.gz LJIJOVDJOVVZDG-UHFFFAOYSA-N 1 2 391.266 2.147 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)nc12 ZINC000649216023 532417975 /nfs/dbraw/zinc/41/79/75/532417975.db2.gz AVEQPOCSVVURJC-LBPRGKRZSA-N 1 2 388.269 2.481 20 0 GEADLO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000372931939 532421082 /nfs/dbraw/zinc/42/10/82/532421082.db2.gz AXHSKKLQRAQFIT-CABCVRRESA-N 1 2 392.297 2.175 20 0 GEADLO COC[C@@]1(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)CCC[NH2+]1 ZINC000517535507 532421109 /nfs/dbraw/zinc/42/11/09/532421109.db2.gz BAAGYHHKPLCCPU-INIZCTEOSA-N 1 2 381.889 2.171 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)c(F)cc1O ZINC000295207541 532419293 /nfs/dbraw/zinc/41/92/93/532419293.db2.gz GEBFOBXVLCXVSI-MNOVXSKESA-N 1 2 387.249 2.229 20 0 GEADLO CCn1nccc1S(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000681154359 532422328 /nfs/dbraw/zinc/42/23/28/532422328.db2.gz WNGMJFSZCFXLEG-UHFFFAOYSA-N 1 2 382.917 2.453 20 0 GEADLO CCn1nccc1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000681154359 532422338 /nfs/dbraw/zinc/42/23/38/532422338.db2.gz WNGMJFSZCFXLEG-UHFFFAOYSA-N 1 2 382.917 2.453 20 0 GEADLO CC1(C)NC(=O)N(CC[NH+]2CCN(c3cc(Cl)ccc3Cl)CC2)C1=O ZINC000649696758 532422391 /nfs/dbraw/zinc/42/23/91/532422391.db2.gz OADPBCXEMGEXPT-UHFFFAOYSA-N 1 2 385.295 2.446 20 0 GEADLO COC[C@@H]1C[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@H](C)O1 ZINC000625361290 532421393 /nfs/dbraw/zinc/42/13/93/532421393.db2.gz XKISIXAIVXOBQB-PJODQICGSA-N 1 2 383.286 2.438 20 0 GEADLO COC[C@@H]1C[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@H](C)O1 ZINC000625361290 532421398 /nfs/dbraw/zinc/42/13/98/532421398.db2.gz XKISIXAIVXOBQB-PJODQICGSA-N 1 2 383.286 2.438 20 0 GEADLO O=C(C[NH+]1CCN(c2ncc(Br)cc2F)CC1)N1CCCCC1 ZINC000681251744 532425423 /nfs/dbraw/zinc/42/54/23/532425423.db2.gz NSTPTCGJJSZCQA-UHFFFAOYSA-N 1 2 385.281 2.118 20 0 GEADLO Cc1noc([C@H](C)S(=O)(=O)Cc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000591832546 532425848 /nfs/dbraw/zinc/42/58/48/532425848.db2.gz ZWOREEIGVCIVAA-QMMMGPOBSA-N 1 2 385.243 2.464 20 0 GEADLO Cc1noc([C@@H](C)S(=O)(=O)Cc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000591832545 532426586 /nfs/dbraw/zinc/42/65/86/532426586.db2.gz ZWOREEIGVCIVAA-MRVPVSSYSA-N 1 2 385.243 2.464 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ncc(Br)cc2F)CC1 ZINC000681391956 532428972 /nfs/dbraw/zinc/42/89/72/532428972.db2.gz KXITXQUSLLVLKO-GFCCVEGCSA-N 1 2 385.281 2.116 20 0 GEADLO C[C@@H]1C[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@H](C)N1CCO ZINC000625460198 532429038 /nfs/dbraw/zinc/42/90/38/532429038.db2.gz ZXWOFELTFIDGDW-AHIWAGSCSA-N 1 2 396.329 2.089 20 0 GEADLO C[C@@H]1C[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@H](C)N1CCO ZINC000625460198 532429046 /nfs/dbraw/zinc/42/90/46/532429046.db2.gz ZXWOFELTFIDGDW-AHIWAGSCSA-N 1 2 396.329 2.089 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2CCC[C@H]21)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000681711627 532435938 /nfs/dbraw/zinc/43/59/38/532435938.db2.gz FRLSQTOEDDAUDC-ZMSDIMECSA-N 1 2 382.551 2.138 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2CCC[C@H]21)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000681711627 532435944 /nfs/dbraw/zinc/43/59/44/532435944.db2.gz FRLSQTOEDDAUDC-ZMSDIMECSA-N 1 2 382.551 2.138 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132563 532433292 /nfs/dbraw/zinc/43/32/92/532433292.db2.gz OGVGIIXUYOMGMB-UHFFFAOYSA-N 1 2 379.295 2.276 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132563 532433298 /nfs/dbraw/zinc/43/32/98/532433298.db2.gz OGVGIIXUYOMGMB-UHFFFAOYSA-N 1 2 379.295 2.276 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000427822530 532433569 /nfs/dbraw/zinc/43/35/69/532433569.db2.gz DXHMJCMRYFIDDF-AWEZNQCLSA-N 1 2 391.269 2.022 20 0 GEADLO CCC(O)(CC)C[N@H+](C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000626110379 532433914 /nfs/dbraw/zinc/43/39/14/532433914.db2.gz AROLYQCUOSJQDU-UHFFFAOYSA-N 1 2 376.906 2.165 20 0 GEADLO CCC(O)(CC)C[N@@H+](C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000626110379 532433920 /nfs/dbraw/zinc/43/39/20/532433920.db2.gz AROLYQCUOSJQDU-UHFFFAOYSA-N 1 2 376.906 2.165 20 0 GEADLO NC(=O)c1coc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 ZINC000427845269 532434922 /nfs/dbraw/zinc/43/49/22/532434922.db2.gz PIXPUAOVDQFNNX-ZDUSSCGKSA-N 1 2 399.266 2.149 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000626166411 532435100 /nfs/dbraw/zinc/43/51/00/532435100.db2.gz VGYSZHYAWNBBJM-JTQLQIEISA-N 1 2 396.738 2.259 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000626166411 532435102 /nfs/dbraw/zinc/43/51/02/532435102.db2.gz VGYSZHYAWNBBJM-JTQLQIEISA-N 1 2 396.738 2.259 20 0 GEADLO CCOc1cc(Br)c(F)cc1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000626570385 532440952 /nfs/dbraw/zinc/44/09/52/532440952.db2.gz ZBRXALDQJDKXJZ-JTQLQIEISA-N 1 2 390.253 2.439 20 0 GEADLO CCOc1cc(Br)c(F)cc1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000626570385 532440958 /nfs/dbraw/zinc/44/09/58/532440958.db2.gz ZBRXALDQJDKXJZ-JTQLQIEISA-N 1 2 390.253 2.439 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc(I)ccc1F ZINC000427994636 532438811 /nfs/dbraw/zinc/43/88/11/532438811.db2.gz SUKBWIVMXOPONX-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000467130764 532438867 /nfs/dbraw/zinc/43/88/67/532438867.db2.gz IGKFUFXGUPCNPZ-LEWSCRJBSA-N 1 2 386.233 2.481 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000467130764 532438876 /nfs/dbraw/zinc/43/88/76/532438876.db2.gz IGKFUFXGUPCNPZ-LEWSCRJBSA-N 1 2 386.233 2.481 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc(Br)cn2)CC1(C)C ZINC000295357047 532439085 /nfs/dbraw/zinc/43/90/85/532439085.db2.gz RRXXSURNMSNRQY-LBPRGKRZSA-N 1 2 385.287 2.349 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc(F)ccc1I ZINC000427990322 532439272 /nfs/dbraw/zinc/43/92/72/532439272.db2.gz CJKJQPIYNYDKDW-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1c(F)cccc1I ZINC000427991238 532439359 /nfs/dbraw/zinc/43/93/59/532439359.db2.gz JXFBELHYKYUAMA-VIFPVBQESA-N 1 2 385.180 2.372 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000373344493 532444229 /nfs/dbraw/zinc/44/42/29/532444229.db2.gz AYNSOPHQTNEBRJ-QGZVFWFLSA-N 1 2 380.901 2.182 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000373344493 532444233 /nfs/dbraw/zinc/44/42/33/532444233.db2.gz AYNSOPHQTNEBRJ-QGZVFWFLSA-N 1 2 380.901 2.182 20 0 GEADLO CC(C)n1cc[nH+]c1CN1CCCN(S(=O)(=O)[C@H](C)C(F)(F)F)CC1 ZINC000373390095 532447588 /nfs/dbraw/zinc/44/75/88/532447588.db2.gz FBPHJOAZCRQOFI-CYBMUJFWSA-N 1 2 382.452 2.252 20 0 GEADLO C[N@@H+](CC(=O)NCc1cccnc1)C[C@@H](O)c1ccccc1Br ZINC000295462446 532448253 /nfs/dbraw/zinc/44/82/53/532448253.db2.gz YFRMKIILMVIHGC-MRXNPFEDSA-N 1 2 378.270 2.126 20 0 GEADLO C[N@H+](CC(=O)NCc1cccnc1)C[C@@H](O)c1ccccc1Br ZINC000295462446 532448260 /nfs/dbraw/zinc/44/82/60/532448260.db2.gz YFRMKIILMVIHGC-MRXNPFEDSA-N 1 2 378.270 2.126 20 0 GEADLO CCSCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000561687905 532448546 /nfs/dbraw/zinc/44/85/46/532448546.db2.gz ZTIBPHSKAZFOCV-HZPDHXFCSA-N 1 2 383.945 2.461 20 0 GEADLO CCSCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000561687905 532448552 /nfs/dbraw/zinc/44/85/52/532448552.db2.gz ZTIBPHSKAZFOCV-HZPDHXFCSA-N 1 2 383.945 2.461 20 0 GEADLO Cc1n[nH]c(SCC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000373432426 532448577 /nfs/dbraw/zinc/44/85/77/532448577.db2.gz UNPUXJGGMZTAAQ-UHFFFAOYSA-N 1 2 377.436 2.127 20 0 GEADLO O=C(N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1)C1(O)CCSCC1 ZINC000373509064 532454349 /nfs/dbraw/zinc/45/43/49/532454349.db2.gz KSAORJSMSXZIEU-UHFFFAOYSA-N 1 2 375.416 2.007 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)COc1cccc(I)c1 ZINC000194771514 532455519 /nfs/dbraw/zinc/45/55/19/532455519.db2.gz IRUHAJOUIWSWPH-UHFFFAOYSA-N 1 2 399.232 2.415 20 0 GEADLO O=C(NCC1=CCOCC1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000519523277 532465637 /nfs/dbraw/zinc/46/56/37/532465637.db2.gz HFBAEQDEJJHOOI-UHFFFAOYSA-N 1 2 397.273 2.149 20 0 GEADLO CCc1cc(=O)[nH]c(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)n1 ZINC000195065123 532465651 /nfs/dbraw/zinc/46/56/51/532465651.db2.gz UFHQNCCRRWBUTQ-UHFFFAOYSA-N 1 2 379.511 2.115 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)c1 ZINC000295655087 532466183 /nfs/dbraw/zinc/46/61/83/532466183.db2.gz FUVWEFAWGOHIQG-CQSZACIVSA-N 1 2 387.889 2.120 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000562491506 532468778 /nfs/dbraw/zinc/46/87/78/532468778.db2.gz GHFPZAGPFKXEKY-ZDUSSCGKSA-N 1 2 389.253 2.498 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1c(Cl)cc(F)cc1Cl ZINC000373819784 532472385 /nfs/dbraw/zinc/47/23/85/532472385.db2.gz ODLFZEKFGRSBSZ-NSHDSACASA-N 1 2 383.272 2.274 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@H+](C2CC2)CCO1)c1c(Cl)cc(F)cc1Cl ZINC000373819784 532472394 /nfs/dbraw/zinc/47/23/94/532472394.db2.gz ODLFZEKFGRSBSZ-NSHDSACASA-N 1 2 383.272 2.274 20 0 GEADLO CO[C@H](C)CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000195243158 532473371 /nfs/dbraw/zinc/47/33/71/532473371.db2.gz IBRZNRGJXNXEPH-IUODEOHRSA-N 1 2 378.897 2.398 20 0 GEADLO CO[C@H](C)CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000195243158 532473374 /nfs/dbraw/zinc/47/33/74/532473374.db2.gz IBRZNRGJXNXEPH-IUODEOHRSA-N 1 2 378.897 2.398 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Br)cc1Br ZINC000628916928 532477320 /nfs/dbraw/zinc/47/73/20/532477320.db2.gz HJPLDGPTAWJSSN-JTQLQIEISA-N 1 2 392.091 2.272 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Br)cc1Br ZINC000628916928 532477327 /nfs/dbraw/zinc/47/73/27/532477327.db2.gz HJPLDGPTAWJSSN-JTQLQIEISA-N 1 2 392.091 2.272 20 0 GEADLO Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2C)c2cc(Br)ccc2n1 ZINC000628918509 532477476 /nfs/dbraw/zinc/47/74/76/532477476.db2.gz DEMIPVLMIKAOEH-ZDUSSCGKSA-N 1 2 378.270 2.366 20 0 GEADLO Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)c2cc(Br)ccc2n1 ZINC000628918509 532477481 /nfs/dbraw/zinc/47/74/81/532477481.db2.gz DEMIPVLMIKAOEH-ZDUSSCGKSA-N 1 2 378.270 2.366 20 0 GEADLO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000429519450 532478662 /nfs/dbraw/zinc/47/86/62/532478662.db2.gz WCDYIFDSNDKHOK-HNNXBMFYSA-N 1 2 379.507 2.373 20 0 GEADLO Cc1c[nH+]ccc1NC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000373931271 532479256 /nfs/dbraw/zinc/47/92/56/532479256.db2.gz WBWPXQUXDUICJN-OAHLLOKOSA-N 1 2 389.253 2.279 20 0 GEADLO CCOC(=O)c1csc(C2CC[NH+](CC3(CS(C)(=O)=O)CC3)CC2)n1 ZINC000429578999 532480405 /nfs/dbraw/zinc/48/04/05/532480405.db2.gz KPBYRTFKCNVTCW-UHFFFAOYSA-N 1 2 386.539 2.324 20 0 GEADLO C[N@H+](CCn1ccccc1=O)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000684629220 532480449 /nfs/dbraw/zinc/48/04/49/532480449.db2.gz ZNASXSLPYZSVIF-UHFFFAOYSA-N 1 2 388.269 2.324 20 0 GEADLO C[N@@H+](CCn1ccccc1=O)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000684629220 532480458 /nfs/dbraw/zinc/48/04/58/532480458.db2.gz ZNASXSLPYZSVIF-UHFFFAOYSA-N 1 2 388.269 2.324 20 0 GEADLO CN(C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629207242 532481285 /nfs/dbraw/zinc/48/12/85/532481285.db2.gz HSXSGZRMQJQOGJ-VNQPRFMTSA-N 1 2 394.313 2.308 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)cc1Cl ZINC000295860312 532482076 /nfs/dbraw/zinc/48/20/76/532482076.db2.gz XVGNACFPAYZKTB-CQSZACIVSA-N 1 2 387.889 2.120 20 0 GEADLO CC1(C)CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC[N@@H+]1CCO ZINC000684764405 532483035 /nfs/dbraw/zinc/48/30/35/532483035.db2.gz NEPLHJNEVONOJR-UHFFFAOYSA-N 1 2 385.288 2.210 20 0 GEADLO CC1(C)CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC[N@H+]1CCO ZINC000684764405 532483038 /nfs/dbraw/zinc/48/30/38/532483038.db2.gz NEPLHJNEVONOJR-UHFFFAOYSA-N 1 2 385.288 2.210 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCc1ccsc1Br)[NH+]1CCOCC1 ZINC000282649773 532484673 /nfs/dbraw/zinc/48/46/73/532484673.db2.gz FNQDIQSDCSDJSP-WDEREUQCSA-N 1 2 376.320 2.419 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(F)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000651689967 532487100 /nfs/dbraw/zinc/48/71/00/532487100.db2.gz LDISLPFEJZINOU-ZDUSSCGKSA-N 1 2 376.881 2.212 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@H]2N1 ZINC000374046500 532487074 /nfs/dbraw/zinc/48/70/74/532487074.db2.gz VPWKZGANMTUZRX-CABCVRRESA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@H]2N1 ZINC000374046500 532487081 /nfs/dbraw/zinc/48/70/81/532487081.db2.gz VPWKZGANMTUZRX-CABCVRRESA-N 1 2 392.253 2.193 20 0 GEADLO Cc1cc(CNC(=O)NCCn2cc(Br)ccc2=O)cc(C)[nH+]1 ZINC000562931217 532489976 /nfs/dbraw/zinc/48/99/76/532489976.db2.gz RSRSPQPWAJNLKB-UHFFFAOYSA-N 1 2 379.258 2.122 20 0 GEADLO Cc1oc(Br)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629431194 532492021 /nfs/dbraw/zinc/49/20/21/532492021.db2.gz CZVSTZGJODSDFS-CQSZACIVSA-N 1 2 394.269 2.376 20 0 GEADLO Cc1oc(Br)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629431194 532492026 /nfs/dbraw/zinc/49/20/26/532492026.db2.gz CZVSTZGJODSDFS-CQSZACIVSA-N 1 2 394.269 2.376 20 0 GEADLO CC[C@]1(O)CCN(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000430309469 532496058 /nfs/dbraw/zinc/49/60/58/532496058.db2.gz XBZWIBOZXOYRNE-INIZCTEOSA-N 1 2 381.274 2.462 20 0 GEADLO CN1CC[NH+]([C@@H](CNC(=O)NC[C@H]2CCCSC2)c2cccs2)CC1 ZINC000519663905 532474424 /nfs/dbraw/zinc/47/44/24/532474424.db2.gz SZISNAMQWMYUGX-CVEARBPZSA-N 1 2 382.599 2.479 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000520647568 532496655 /nfs/dbraw/zinc/49/66/55/532496655.db2.gz VEZKZJKMRWLDTH-LLVKDONJSA-N 1 2 394.273 2.141 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000282539238 532475479 /nfs/dbraw/zinc/47/54/79/532475479.db2.gz SGDXFTIEPLFOGO-OAHLLOKOSA-N 1 2 398.301 2.246 20 0 GEADLO CS(=O)(=O)C[C@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000429373213 532475618 /nfs/dbraw/zinc/47/56/18/532475618.db2.gz QQMGBOFYGYCUJJ-LBPRGKRZSA-N 1 2 393.336 2.019 20 0 GEADLO CS(=O)(=O)C[C@H]1CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000429373213 532475620 /nfs/dbraw/zinc/47/56/20/532475620.db2.gz QQMGBOFYGYCUJJ-LBPRGKRZSA-N 1 2 393.336 2.019 20 0 GEADLO Cc1c(C(=O)NC[C@@H]2COCC[N@H+]2C)cnn1-c1cccc(Br)c1 ZINC000628918207 532476121 /nfs/dbraw/zinc/47/61/21/532476121.db2.gz CBAGHTPBEBQHGN-OAHLLOKOSA-N 1 2 393.285 2.004 20 0 GEADLO Cc1c(C(=O)NC[C@@H]2COCC[N@@H+]2C)cnn1-c1cccc(Br)c1 ZINC000628918207 532476127 /nfs/dbraw/zinc/47/61/27/532476127.db2.gz CBAGHTPBEBQHGN-OAHLLOKOSA-N 1 2 393.285 2.004 20 0 GEADLO COC(=O)[C@H](CC(F)(F)F)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000563391696 532503452 /nfs/dbraw/zinc/50/34/52/532503452.db2.gz ZUHLXKILHOCCBY-SFYZADRCSA-N 1 2 375.269 2.066 20 0 GEADLO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)nnn1-c1cccc(Br)c1 ZINC000282898607 532504534 /nfs/dbraw/zinc/50/45/34/532504534.db2.gz WQILOUCHTDLMMF-MNOVXSKESA-N 1 2 398.280 2.463 20 0 GEADLO Nc1ncc(Cl)cc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000431093461 532504843 /nfs/dbraw/zinc/50/48/43/532504843.db2.gz KUXCWGGNSXYBFO-ZDUSSCGKSA-N 1 2 384.889 2.416 20 0 GEADLO CNc1cc(I)ccc1C(=O)NCCc1c[nH+]cn1C ZINC000563605170 532506837 /nfs/dbraw/zinc/50/68/37/532506837.db2.gz JTUWHXKSIKCLIT-UHFFFAOYSA-N 1 2 384.221 2.039 20 0 GEADLO CC(C)(C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)[NH+]1CCOCC1 ZINC000469627236 532507197 /nfs/dbraw/zinc/50/71/97/532507197.db2.gz JMLIFUANXIUEEX-INIZCTEOSA-N 1 2 397.313 2.460 20 0 GEADLO Cc1cccc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1Br ZINC000469662307 532508713 /nfs/dbraw/zinc/50/87/13/532508713.db2.gz RHYOYRMUDYLDON-UHFFFAOYSA-N 1 2 383.290 2.171 20 0 GEADLO COC(=O)c1cccc(NC(=O)C[N@H+](C)Cc2cc(Br)cn2C)n1 ZINC000469728284 532509316 /nfs/dbraw/zinc/50/93/16/532509316.db2.gz IWCNPNLELOAXQJ-UHFFFAOYSA-N 1 2 395.257 2.040 20 0 GEADLO COC(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2cc(Br)cn2C)n1 ZINC000469728284 532509322 /nfs/dbraw/zinc/50/93/22/532509322.db2.gz IWCNPNLELOAXQJ-UHFFFAOYSA-N 1 2 395.257 2.040 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]1C ZINC000469841299 532513647 /nfs/dbraw/zinc/51/36/47/532513647.db2.gz LEVMACQJHJNIRA-BXUZGUMPSA-N 1 2 390.299 2.106 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]1C ZINC000469841299 532513654 /nfs/dbraw/zinc/51/36/54/532513654.db2.gz LEVMACQJHJNIRA-BXUZGUMPSA-N 1 2 390.299 2.106 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000521504892 532514745 /nfs/dbraw/zinc/51/47/45/532514745.db2.gz VPQDQPOEGYACCN-YTEVENLXSA-N 1 2 399.365 2.115 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000521504892 532514750 /nfs/dbraw/zinc/51/47/50/532514750.db2.gz VPQDQPOEGYACCN-YTEVENLXSA-N 1 2 399.365 2.115 20 0 GEADLO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000242459834 532519223 /nfs/dbraw/zinc/51/92/23/532519223.db2.gz BQJZUAYZZFGJMV-GFCCVEGCSA-N 1 2 386.279 2.113 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000630396936 532515676 /nfs/dbraw/zinc/51/56/76/532515676.db2.gz SGSPXQPFLBNKCD-SMDDNHRTSA-N 1 2 394.324 2.082 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@H+]3C[C@H](CO)O[C@@H](C)C3)C2=O)ccc1Br ZINC000469981452 532516625 /nfs/dbraw/zinc/51/66/25/532516625.db2.gz KOAMHBAFMCGVDO-LXZKKBNFSA-N 1 2 397.313 2.335 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@H](CO)O[C@@H](C)C3)C2=O)ccc1Br ZINC000469981452 532516628 /nfs/dbraw/zinc/51/66/28/532516628.db2.gz KOAMHBAFMCGVDO-LXZKKBNFSA-N 1 2 397.313 2.335 20 0 GEADLO CCc1[nH+]c2ccccc2n1CC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000469969263 532516716 /nfs/dbraw/zinc/51/67/16/532516716.db2.gz LNZZHSCBWINFFT-UHFFFAOYSA-N 1 2 377.491 2.380 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@H](C)O[C@H](CO)C3)C2=O)ccc1Br ZINC000469981453 532517094 /nfs/dbraw/zinc/51/70/94/532517094.db2.gz KOAMHBAFMCGVDO-QRTARXTBSA-N 1 2 397.313 2.335 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@H+]3C[C@H](C)O[C@H](CO)C3)C2=O)ccc1Br ZINC000469981453 532517103 /nfs/dbraw/zinc/51/71/03/532517103.db2.gz KOAMHBAFMCGVDO-QRTARXTBSA-N 1 2 397.313 2.335 20 0 GEADLO Cn1c[nH+]cc1CN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000469997678 532517807 /nfs/dbraw/zinc/51/78/07/532517807.db2.gz BUCXNGKVSUKNBO-UHFFFAOYSA-N 1 2 383.279 2.450 20 0 GEADLO COC(=O)[C@@]1(C)CC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000470035405 532517927 /nfs/dbraw/zinc/51/79/27/532517927.db2.gz ZZQLJKZWPRNCEN-HNNXBMFYSA-N 1 2 390.299 2.108 20 0 GEADLO COC(=O)[C@@]1(C)CC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000470035405 532517931 /nfs/dbraw/zinc/51/79/31/532517931.db2.gz ZZQLJKZWPRNCEN-HNNXBMFYSA-N 1 2 390.299 2.108 20 0 GEADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000521807199 532518426 /nfs/dbraw/zinc/51/84/26/532518426.db2.gz QARIXXDBNHAFST-DGCLKSJQSA-N 1 2 384.307 2.464 20 0 GEADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000521807199 532518437 /nfs/dbraw/zinc/51/84/37/532518437.db2.gz QARIXXDBNHAFST-DGCLKSJQSA-N 1 2 384.307 2.464 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000296397823 532518342 /nfs/dbraw/zinc/51/83/42/532518342.db2.gz SYBCBOYDPWYILR-PXAZEXFGSA-N 1 2 399.285 2.288 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000296397823 532518347 /nfs/dbraw/zinc/51/83/47/532518347.db2.gz SYBCBOYDPWYILR-PXAZEXFGSA-N 1 2 399.285 2.288 20 0 GEADLO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374367719 532498738 /nfs/dbraw/zinc/49/87/38/532498738.db2.gz WPEVRFBODGIVRM-AWEZNQCLSA-N 1 2 390.237 2.360 20 0 GEADLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cnn1C ZINC000651874113 532499895 /nfs/dbraw/zinc/49/98/95/532499895.db2.gz LDTRVFGHCUAONG-CQSZACIVSA-N 1 2 379.873 2.069 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c1Br ZINC000374387938 532500690 /nfs/dbraw/zinc/50/06/90/532500690.db2.gz JWNCQUCDCOCFOC-GFCCVEGCSA-N 1 2 378.274 2.477 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c1Br ZINC000374387940 532500767 /nfs/dbraw/zinc/50/07/67/532500767.db2.gz JWNCQUCDCOCFOC-LBPRGKRZSA-N 1 2 378.274 2.477 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)NCCCCc2ccc(Cl)s2)CC1 ZINC000375126133 532535903 /nfs/dbraw/zinc/53/59/03/532535903.db2.gz GDBZBLVUFWMWOD-UHFFFAOYSA-N 1 2 386.949 2.188 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)NCCCCc2ccc(Cl)s2)CC1 ZINC000375126133 532535906 /nfs/dbraw/zinc/53/59/06/532535906.db2.gz GDBZBLVUFWMWOD-UHFFFAOYSA-N 1 2 386.949 2.188 20 0 GEADLO Cc1[nH+]ccc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1Br ZINC000525870704 532536310 /nfs/dbraw/zinc/53/63/10/532536310.db2.gz AEFRRDDNUZIFTL-UHFFFAOYSA-N 1 2 398.282 2.077 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(Br)cc(Cl)c2O)C[C@@H]1C ZINC000246287100 532537155 /nfs/dbraw/zinc/53/71/55/532537155.db2.gz XKMJCZSCEFIYGY-UWVGGRQHSA-N 1 2 391.693 2.335 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(Br)cc(Cl)c2O)C[C@@H]1C ZINC000246287100 532537161 /nfs/dbraw/zinc/53/71/61/532537161.db2.gz XKMJCZSCEFIYGY-UWVGGRQHSA-N 1 2 391.693 2.335 20 0 GEADLO COC[C@@]1(CNC(=O)c2cc(Br)cc(Cl)c2O)CCC[NH2+]1 ZINC000564948524 532539926 /nfs/dbraw/zinc/53/99/26/532539926.db2.gz FUEVHWFHXABVPC-AWEZNQCLSA-N 1 2 377.666 2.307 20 0 GEADLO CC(C)[C@H]([NH2+]Cc1ncc(Cl)s1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000471022659 532540328 /nfs/dbraw/zinc/54/03/28/532540328.db2.gz OWYLLIFONJWVHE-HNNXBMFYSA-N 1 2 382.921 2.107 20 0 GEADLO O=C(NCC[C@@H]1CCOC1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000653698524 532540532 /nfs/dbraw/zinc/54/05/32/532540532.db2.gz NONBITNVVJBBLI-GFCCVEGCSA-N 1 2 399.289 2.229 20 0 GEADLO COC[C@@H]1CCCN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000653698559 532541417 /nfs/dbraw/zinc/54/14/17/532541417.db2.gz USQGWXBMIPSWDG-LBPRGKRZSA-N 1 2 399.289 2.323 20 0 GEADLO Cc1nc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)sc1Br ZINC000375198123 532541784 /nfs/dbraw/zinc/54/17/84/532541784.db2.gz UFJPLHXWXYBNPQ-MRVPVSSYSA-N 1 2 377.289 2.463 20 0 GEADLO O=C1[C@@H]([NH2+]Cc2ncc(Br)cc2Cl)CCN1C1CCOCC1 ZINC000631082457 532542247 /nfs/dbraw/zinc/54/22/47/532542247.db2.gz IDHZUXOYWPMQOE-ZDUSSCGKSA-N 1 2 388.693 2.367 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@H]1CCc2ccc(I)cc21)c1ccccn1 ZINC000595040160 532542888 /nfs/dbraw/zinc/54/28/88/532542888.db2.gz CYKZDFCLRMPOGZ-ZFWWWQNUSA-N 1 2 393.228 2.490 20 0 GEADLO Cc1nc(N2CCC(C(=O)Nc3cccc(Br)c3)CC2)nc(N)[nH+]1 ZINC000631093327 532542986 /nfs/dbraw/zinc/54/29/86/532542986.db2.gz USOWMAWQDRISBT-UHFFFAOYSA-N 1 2 391.273 2.380 20 0 GEADLO Cc1nc(N)nc(N2CCC(C(=O)Nc3cccc(Br)c3)CC2)[nH+]1 ZINC000631093327 532542993 /nfs/dbraw/zinc/54/29/93/532542993.db2.gz USOWMAWQDRISBT-UHFFFAOYSA-N 1 2 391.273 2.380 20 0 GEADLO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375198183 532543058 /nfs/dbraw/zinc/54/30/58/532543058.db2.gz UWNHCKCNVBWMER-LLVKDONJSA-N 1 2 376.360 2.272 20 0 GEADLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246670131 532543521 /nfs/dbraw/zinc/54/35/21/532543521.db2.gz QJCAJNZULIWPPH-HZPDHXFCSA-N 1 2 384.318 2.389 20 0 GEADLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246670131 532543526 /nfs/dbraw/zinc/54/35/26/532543526.db2.gz QJCAJNZULIWPPH-HZPDHXFCSA-N 1 2 384.318 2.389 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246912599 532544215 /nfs/dbraw/zinc/54/42/15/532544215.db2.gz IJWVYFPKJCOKCN-KEYYUXOJSA-N 1 2 397.313 2.396 20 0 GEADLO CC(C)CN(C(=O)C[N@@H+]1CCSC2(CCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000564300012 532522077 /nfs/dbraw/zinc/52/20/77/532522077.db2.gz NTTXNONOVXALAV-MRXNPFEDSA-N 1 2 388.599 2.020 20 0 GEADLO CC(C)CN(C(=O)C[N@H+]1CCSC2(CCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000564300012 532522081 /nfs/dbraw/zinc/52/20/81/532522081.db2.gz NTTXNONOVXALAV-MRXNPFEDSA-N 1 2 388.599 2.020 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000523894210 532526551 /nfs/dbraw/zinc/52/65/51/532526551.db2.gz TVIOSTKUBJTUDP-NSHDSACASA-N 1 2 384.307 2.464 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000523894210 532526556 /nfs/dbraw/zinc/52/65/56/532526556.db2.gz TVIOSTKUBJTUDP-NSHDSACASA-N 1 2 384.307 2.464 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000432121672 532526835 /nfs/dbraw/zinc/52/68/35/532526835.db2.gz XYKOEDJRGSWNQM-UHFFFAOYSA-N 1 2 393.241 2.291 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000564537348 532527210 /nfs/dbraw/zinc/52/72/10/532527210.db2.gz SBDNDRBDGJJLIE-UHFFFAOYSA-N 1 2 385.839 2.377 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)[C@H](C)Oc2ccccc2Br)CCO1 ZINC000470451847 532528609 /nfs/dbraw/zinc/52/86/09/532528609.db2.gz NQRSPCXDCZKLJL-UONOGXRCSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@H](C)Oc2ccccc2Br)CCO1 ZINC000470451847 532528612 /nfs/dbraw/zinc/52/86/12/532528612.db2.gz NQRSPCXDCZKLJL-UONOGXRCSA-N 1 2 385.302 2.443 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2scc(Br)c2C)CC1 ZINC000630720767 532528855 /nfs/dbraw/zinc/52/88/55/532528855.db2.gz YQNHOYACHNUEBR-UHFFFAOYSA-N 1 2 388.331 2.103 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2scc(Br)c2C)CC1 ZINC000630720767 532528862 /nfs/dbraw/zinc/52/88/62/532528862.db2.gz YQNHOYACHNUEBR-UHFFFAOYSA-N 1 2 388.331 2.103 20 0 GEADLO C[C@H](NC(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F)c1ccc(Br)cc1 ZINC000246010669 532529403 /nfs/dbraw/zinc/52/94/03/532529403.db2.gz KHHPDNUAXGIVNC-JOYOIKCWSA-N 1 2 383.208 2.481 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F)c1ccc(Br)cc1 ZINC000246010669 532529410 /nfs/dbraw/zinc/52/94/10/532529410.db2.gz KHHPDNUAXGIVNC-JOYOIKCWSA-N 1 2 383.208 2.481 20 0 GEADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000525341829 532530999 /nfs/dbraw/zinc/53/09/99/532530999.db2.gz FIUXJCFFPNANRN-AWEZNQCLSA-N 1 2 379.917 2.257 20 0 GEADLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246090658 532531003 /nfs/dbraw/zinc/53/10/03/532531003.db2.gz NPXJHPCLEMFCQR-SMDDNHRTSA-N 1 2 382.810 2.421 20 0 GEADLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246090658 532531012 /nfs/dbraw/zinc/53/10/12/532531012.db2.gz NPXJHPCLEMFCQR-SMDDNHRTSA-N 1 2 382.810 2.421 20 0 GEADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NCc1ccccc1Cl ZINC000283326307 532533657 /nfs/dbraw/zinc/53/36/57/532533657.db2.gz RAWJNNNXCKEMMY-UHFFFAOYSA-N 1 2 377.897 2.192 20 0 GEADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NCc1ccccc1Cl ZINC000283326307 532533662 /nfs/dbraw/zinc/53/36/62/532533662.db2.gz RAWJNNNXCKEMMY-UHFFFAOYSA-N 1 2 377.897 2.192 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[C@@H](CO)C3)[nH+]c12 ZINC000296676671 532533605 /nfs/dbraw/zinc/53/36/05/532533605.db2.gz PESHWPQBOHJUOQ-OCCSQVGLSA-N 1 2 395.301 2.408 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1C[C@H](C)O ZINC000246202620 532534116 /nfs/dbraw/zinc/53/41/16/532534116.db2.gz PWZNQPKPVGGJNW-QWHCGFSZSA-N 1 2 380.432 2.171 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[N@H+]1C[C@H](C)O ZINC000246202620 532534120 /nfs/dbraw/zinc/53/41/20/532534120.db2.gz PWZNQPKPVGGJNW-QWHCGFSZSA-N 1 2 380.432 2.171 20 0 GEADLO CCCC[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246212361 532534168 /nfs/dbraw/zinc/53/41/68/532534168.db2.gz BGMVZFZCOFGRDZ-KBPBESRZSA-N 1 2 384.464 2.077 20 0 GEADLO CCCC[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246212361 532534172 /nfs/dbraw/zinc/53/41/72/532534172.db2.gz BGMVZFZCOFGRDZ-KBPBESRZSA-N 1 2 384.464 2.077 20 0 GEADLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CCOCC(F)(F)F ZINC000432305624 532534302 /nfs/dbraw/zinc/53/43/02/532534302.db2.gz CXKCTDAZZZDBSE-ZDUSSCGKSA-N 1 2 377.388 2.340 20 0 GEADLO Cc1cn2cc(CC(=O)N3CCC[N@H+](Cc4cscn4)CC3)nc2s1 ZINC000630905910 532534782 /nfs/dbraw/zinc/53/47/82/532534782.db2.gz MSQCCBSLBMVJQY-UHFFFAOYSA-N 1 2 375.523 2.438 20 0 GEADLO Cc1cn2cc(CC(=O)N3CCC[N@@H+](Cc4cscn4)CC3)nc2s1 ZINC000630905910 532534786 /nfs/dbraw/zinc/53/47/86/532534786.db2.gz MSQCCBSLBMVJQY-UHFFFAOYSA-N 1 2 375.523 2.438 20 0 GEADLO C[C@@H](O)CN(C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC1 ZINC000654106620 532550154 /nfs/dbraw/zinc/55/01/54/532550154.db2.gz NMXWIEUDRVDBTO-LLVKDONJSA-N 1 2 399.289 2.058 20 0 GEADLO Cc1cc(N2CC[NH+](C[C@@H](O)c3ccc(F)c(Br)c3)CC2)n[nH]1 ZINC000375346504 532550984 /nfs/dbraw/zinc/55/09/84/532550984.db2.gz ZJBRHIFUZMKHIX-OAHLLOKOSA-N 1 2 383.265 2.475 20 0 GEADLO COc1c(N)[nH+]cnc1N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000565220532 532553093 /nfs/dbraw/zinc/55/30/93/532553093.db2.gz GOSSSIICRBLPQS-UHFFFAOYSA-N 1 2 382.251 2.337 20 0 GEADLO COc1c(N)nc[nH+]c1N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000565220532 532553096 /nfs/dbraw/zinc/55/30/96/532553096.db2.gz GOSSSIICRBLPQS-UHFFFAOYSA-N 1 2 382.251 2.337 20 0 GEADLO O=C(NCc1ccccc1Br)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000283751010 532553564 /nfs/dbraw/zinc/55/35/64/532553564.db2.gz KYRMMWPLEZVZIH-UHFFFAOYSA-N 1 2 391.269 2.126 20 0 GEADLO Cn1cc[nH+]c1CNS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471663529 532554879 /nfs/dbraw/zinc/55/48/79/532554879.db2.gz QGTCWGJVNJCCEU-UHFFFAOYSA-N 1 2 382.642 2.454 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c(Cl)cc1F ZINC000471791314 532558473 /nfs/dbraw/zinc/55/84/73/532558473.db2.gz ILYUSFOAWOZFLH-OAHLLOKOSA-N 1 2 378.897 2.423 20 0 GEADLO CCN1CCC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1=O ZINC000433255233 532560834 /nfs/dbraw/zinc/56/08/34/532560834.db2.gz GEPBYOIUJOPLOL-HNNXBMFYSA-N 1 2 380.286 2.109 20 0 GEADLO CCN1CCC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1=O ZINC000433255233 532560839 /nfs/dbraw/zinc/56/08/39/532560839.db2.gz GEPBYOIUJOPLOL-HNNXBMFYSA-N 1 2 380.286 2.109 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000283832878 532560897 /nfs/dbraw/zinc/56/08/97/532560897.db2.gz GYACOCFGBXENLN-VXGBXAGGSA-N 1 2 388.295 2.008 20 0 GEADLO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000631773342 532561884 /nfs/dbraw/zinc/56/18/84/532561884.db2.gz JVXIQLIJSXRAOP-XOYOTBSWSA-N 1 2 391.309 2.268 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(I)cc1)c1[nH+]ccn1C ZINC000595383908 532562270 /nfs/dbraw/zinc/56/22/70/532562270.db2.gz QHEMHYLJTGCQJL-VIFPVBQESA-N 1 2 391.234 2.064 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)NCc2[nH+]ccn2CC(C)C)s1 ZINC000472009104 532563376 /nfs/dbraw/zinc/56/33/76/532563376.db2.gz AAZPNWLRYALFEL-UHFFFAOYSA-N 1 2 384.527 2.394 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000433351718 532564979 /nfs/dbraw/zinc/56/49/79/532564979.db2.gz KBHHLVCWMSDJPC-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000433351718 532564987 /nfs/dbraw/zinc/56/49/87/532564987.db2.gz KBHHLVCWMSDJPC-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+]([C@H](C)C(=O)NCc2cccs2)C1 ZINC000595630220 532568939 /nfs/dbraw/zinc/56/89/39/532568939.db2.gz TWRWJXQBUNGUQX-UTUOFQBUSA-N 1 2 378.416 2.426 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+]([C@H](C)C(=O)NCc2cccs2)C1 ZINC000595630220 532568944 /nfs/dbraw/zinc/56/89/44/532568944.db2.gz TWRWJXQBUNGUQX-UTUOFQBUSA-N 1 2 378.416 2.426 20 0 GEADLO CN(C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1)S(C)(=O)=O ZINC000528502589 532569368 /nfs/dbraw/zinc/56/93/68/532569368.db2.gz BXHXJPOIVLMBAM-LBPRGKRZSA-N 1 2 391.896 2.021 20 0 GEADLO CN(C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1)S(C)(=O)=O ZINC000528502589 532569376 /nfs/dbraw/zinc/56/93/76/532569376.db2.gz BXHXJPOIVLMBAM-LBPRGKRZSA-N 1 2 391.896 2.021 20 0 GEADLO Cc1nc2[nH]ccc2c(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[nH+]1 ZINC000471258104 532546179 /nfs/dbraw/zinc/54/61/79/532546179.db2.gz PGJDSJLTJHJXKY-UHFFFAOYSA-N 1 2 397.913 2.492 20 0 GEADLO CC[C@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@@H](C)O1 ZINC000247409276 532547336 /nfs/dbraw/zinc/54/73/36/532547336.db2.gz CCWUYXXIIZZYOB-OLZOCXBDSA-N 1 2 398.301 2.003 20 0 GEADLO CC[C@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@@H](C)O1 ZINC000247409276 532547344 /nfs/dbraw/zinc/54/73/44/532547344.db2.gz CCWUYXXIIZZYOB-OLZOCXBDSA-N 1 2 398.301 2.003 20 0 GEADLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@@H](O)C(F)(F)F ZINC000631237498 532548854 /nfs/dbraw/zinc/54/88/54/532548854.db2.gz VOELMEYVZGBJLG-PRHODGIISA-N 1 2 379.180 2.431 20 0 GEADLO Cc1cc(NCCC2CS(=O)(=O)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631237039 532549214 /nfs/dbraw/zinc/54/92/14/532549214.db2.gz CGIOYUDQVTZAMM-UHFFFAOYSA-N 1 2 396.310 2.483 20 0 GEADLO Brc1cc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)cc2c1OCO2 ZINC000631215087 532549372 /nfs/dbraw/zinc/54/93/72/532549372.db2.gz JUQRZSKIBYXRJZ-UHFFFAOYSA-N 1 2 395.257 2.480 20 0 GEADLO COc1cc(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(OC)cc1Cl ZINC000528789620 532582729 /nfs/dbraw/zinc/58/27/29/532582729.db2.gz UXAUYTCTHGHPNF-PUXAFBORSA-N 1 2 386.901 2.281 20 0 GEADLO COc1cc(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(OC)cc1Cl ZINC000528789620 532582735 /nfs/dbraw/zinc/58/27/35/532582735.db2.gz UXAUYTCTHGHPNF-PUXAFBORSA-N 1 2 386.901 2.281 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCc2cc(Br)ccc2C1 ZINC000433961125 532583592 /nfs/dbraw/zinc/58/35/92/532583592.db2.gz RQDIZJYGVVYFBF-UHFFFAOYSA-N 1 2 394.313 2.382 20 0 GEADLO Cc1cnc([C@H](C)NC(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)s1 ZINC000565906172 532584622 /nfs/dbraw/zinc/58/46/22/532584622.db2.gz RIZKEMXDHHJYRX-JTQLQIEISA-N 1 2 377.857 2.246 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000632169204 532585149 /nfs/dbraw/zinc/58/51/49/532585149.db2.gz MFTLKWJOTKKYQO-ZIAGYGMSSA-N 1 2 384.395 2.069 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000632169204 532585151 /nfs/dbraw/zinc/58/51/51/532585151.db2.gz MFTLKWJOTKKYQO-ZIAGYGMSSA-N 1 2 384.395 2.069 20 0 GEADLO COC(=O)[C@@H](CNc1nc(C)[nH+]c(C)c1Br)Cc1ccc(O)cc1 ZINC000596124624 532588313 /nfs/dbraw/zinc/58/83/13/532588313.db2.gz XWPZWUURQOTVTI-CYBMUJFWSA-N 1 2 394.269 3.005 20 0 GEADLO COc1ccc(NC(=O)NCc2[nH+]ccn2C)c(I)c1 ZINC000434166583 532588828 /nfs/dbraw/zinc/58/88/28/532588828.db2.gz DGTNIKAFKPFDNX-UHFFFAOYSA-N 1 2 386.193 2.355 20 0 GEADLO CCOc1cc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc(Br)c1O ZINC000297421038 532589062 /nfs/dbraw/zinc/58/90/62/532589062.db2.gz MJDMODSBAJVLBO-NSHDSACASA-N 1 2 392.315 2.420 20 0 GEADLO CCOc1cc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)cc(Br)c1O ZINC000297421038 532589065 /nfs/dbraw/zinc/58/90/65/532589065.db2.gz MJDMODSBAJVLBO-NSHDSACASA-N 1 2 392.315 2.420 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(c2nc(C3CC3)ncc2Br)[C@H](C)C1 ZINC000596184006 532590205 /nfs/dbraw/zinc/59/02/05/532590205.db2.gz CXMOZUKIMKPYEO-LLVKDONJSA-N 1 2 383.290 2.190 20 0 GEADLO COC(=O)CC[N@H+]1CCN(c2nc(C3CC3)ncc2Br)[C@H](C)C1 ZINC000596184006 532590212 /nfs/dbraw/zinc/59/02/12/532590212.db2.gz CXMOZUKIMKPYEO-LLVKDONJSA-N 1 2 383.290 2.190 20 0 GEADLO Cn1nccc1CC[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000284442060 532593598 /nfs/dbraw/zinc/59/35/98/532593598.db2.gz QEQDXSKVASFKHD-UHFFFAOYSA-N 1 2 377.286 2.183 20 0 GEADLO CCN1CCN(C(=O)c2ccc(Br)c(O)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433474864 532570636 /nfs/dbraw/zinc/57/06/36/532570636.db2.gz MOAKUTMGBFVMJB-CYBMUJFWSA-N 1 2 379.258 2.397 20 0 GEADLO O=S(=O)(C1CC1)N1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000528613662 532575516 /nfs/dbraw/zinc/57/55/16/532575516.db2.gz VACDOGPSQZDWDO-UHFFFAOYSA-N 1 2 378.416 2.194 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000375696960 532575673 /nfs/dbraw/zinc/57/56/73/532575673.db2.gz KTOZWIQCCNGDBG-GFCCVEGCSA-N 1 2 390.531 2.004 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000375696960 532575676 /nfs/dbraw/zinc/57/56/76/532575676.db2.gz KTOZWIQCCNGDBG-GFCCVEGCSA-N 1 2 390.531 2.004 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000375687686 532575956 /nfs/dbraw/zinc/57/59/56/532575956.db2.gz GTYAGZVNONMZBZ-UKRRQHHQSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000375687686 532575961 /nfs/dbraw/zinc/57/59/61/532575961.db2.gz GTYAGZVNONMZBZ-UKRRQHHQSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(Br)c1 ZINC000528748886 532577183 /nfs/dbraw/zinc/57/71/83/532577183.db2.gz SJICDJRHZVABFD-XWIAVFTESA-N 1 2 399.329 2.397 20 0 GEADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(Br)c1 ZINC000528748886 532577190 /nfs/dbraw/zinc/57/71/90/532577190.db2.gz SJICDJRHZVABFD-XWIAVFTESA-N 1 2 399.329 2.397 20 0 GEADLO Cc1nnc(NC(=O)c2sc3c(c2I)C[NH2+]C3)s1 ZINC000595930989 532578195 /nfs/dbraw/zinc/57/81/95/532578195.db2.gz SXMBLFXXJJEXBS-UHFFFAOYSA-N 1 2 392.247 2.368 20 0 GEADLO CN(Cc1cscn1)C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000284141287 532578554 /nfs/dbraw/zinc/57/85/54/532578554.db2.gz XLYLSSABLAFDFX-HNNXBMFYSA-N 1 2 380.901 2.174 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ncc[nH]1 ZINC000632107106 532579509 /nfs/dbraw/zinc/57/95/09/532579509.db2.gz WOCVNGTZPOZHFY-UHFFFAOYSA-N 1 2 399.314 2.115 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1Br ZINC000284466184 532595396 /nfs/dbraw/zinc/59/53/96/532595396.db2.gz ASCWVXOFIRYTQN-ZFWWWQNUSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1Br ZINC000284466184 532595398 /nfs/dbraw/zinc/59/53/98/532595398.db2.gz ASCWVXOFIRYTQN-ZFWWWQNUSA-N 1 2 384.274 2.395 20 0 GEADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)c2c[nH]c(=O)s2)c(C)c1 ZINC000632131678 532580273 /nfs/dbraw/zinc/58/02/73/532580273.db2.gz ZGUXMHQLWKZMKS-CQSZACIVSA-N 1 2 378.479 2.382 20 0 GEADLO COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000261964305 532580533 /nfs/dbraw/zinc/58/05/33/532580533.db2.gz HOZXBNYJZCVVGA-HNNXBMFYSA-N 1 2 380.901 2.411 20 0 GEADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(Cl)c1Cl ZINC000262002466 532581644 /nfs/dbraw/zinc/58/16/44/532581644.db2.gz LLVQMNBBGYPEPX-NSHDSACASA-N 1 2 375.281 2.062 20 0 GEADLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528778437 532581858 /nfs/dbraw/zinc/58/18/58/532581858.db2.gz KCBNEWNJPUHBKS-FZKCQIBNSA-N 1 2 382.551 2.452 20 0 GEADLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528778437 532581864 /nfs/dbraw/zinc/58/18/64/532581864.db2.gz KCBNEWNJPUHBKS-FZKCQIBNSA-N 1 2 382.551 2.452 20 0 GEADLO COCCOc1c(Cl)cc(S(=O)(=O)NCc2[nH]cc[nH+]2)cc1Cl ZINC000632143410 532582118 /nfs/dbraw/zinc/58/21/18/532582118.db2.gz UYODDMAFBZPDIU-UHFFFAOYSA-N 1 2 380.253 2.220 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000632500939 532616258 /nfs/dbraw/zinc/61/62/58/532616258.db2.gz GNINLQHNLMMPGV-HZPDHXFCSA-N 1 2 390.908 2.398 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000632502750 532616443 /nfs/dbraw/zinc/61/64/43/532616443.db2.gz YJAOIURLLZFVOB-HZPDHXFCSA-N 1 2 390.908 2.398 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632502749 532616546 /nfs/dbraw/zinc/61/65/46/532616546.db2.gz YJAOIURLLZFVOB-HOTGVXAUSA-N 1 2 390.908 2.398 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000284767337 532617873 /nfs/dbraw/zinc/61/78/73/532617873.db2.gz MLKPCORQPKTNCO-WDEREUQCSA-N 1 2 399.314 2.466 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000284767337 532617877 /nfs/dbraw/zinc/61/78/77/532617877.db2.gz MLKPCORQPKTNCO-WDEREUQCSA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@@H]2CC[N@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000284767337 532617881 /nfs/dbraw/zinc/61/78/81/532617881.db2.gz MLKPCORQPKTNCO-WDEREUQCSA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@@H]2CC[N@@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000284767337 532617887 /nfs/dbraw/zinc/61/78/87/532617887.db2.gz MLKPCORQPKTNCO-WDEREUQCSA-N 1 2 399.314 2.466 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000284767336 532618429 /nfs/dbraw/zinc/61/84/29/532618429.db2.gz MLKPCORQPKTNCO-QWRGUYRKSA-N 1 2 399.314 2.466 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000284767336 532618435 /nfs/dbraw/zinc/61/84/35/532618435.db2.gz MLKPCORQPKTNCO-QWRGUYRKSA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@H]2CC[N@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000284767336 532618442 /nfs/dbraw/zinc/61/84/42/532618442.db2.gz MLKPCORQPKTNCO-QWRGUYRKSA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@H]2CC[N@@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000284767336 532618444 /nfs/dbraw/zinc/61/84/44/532618444.db2.gz MLKPCORQPKTNCO-QWRGUYRKSA-N 1 2 399.314 2.466 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000284767335 532619015 /nfs/dbraw/zinc/61/90/15/532619015.db2.gz MLKPCORQPKTNCO-MNOVXSKESA-N 1 2 399.314 2.466 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000284767335 532619017 /nfs/dbraw/zinc/61/90/17/532619017.db2.gz MLKPCORQPKTNCO-MNOVXSKESA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@H]2CC[N@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000284767335 532619018 /nfs/dbraw/zinc/61/90/18/532619018.db2.gz MLKPCORQPKTNCO-MNOVXSKESA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@H]2CC[N@@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000284767335 532619020 /nfs/dbraw/zinc/61/90/20/532619020.db2.gz MLKPCORQPKTNCO-MNOVXSKESA-N 1 2 399.314 2.466 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000376612220 532620698 /nfs/dbraw/zinc/62/06/98/532620698.db2.gz LIVYGGOFAGINDT-AAEUAGOBSA-N 1 2 379.511 2.015 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)C1 ZINC000376135274 532596851 /nfs/dbraw/zinc/59/68/51/532596851.db2.gz QRQOBMSFXQUJPL-UWWQBHOKSA-N 1 2 379.298 2.100 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)C1 ZINC000376135274 532596855 /nfs/dbraw/zinc/59/68/55/532596855.db2.gz QRQOBMSFXQUJPL-UWWQBHOKSA-N 1 2 379.298 2.100 20 0 GEADLO Cc1ccccc1[C@@H](CC(F)(F)F)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632282312 532597503 /nfs/dbraw/zinc/59/75/03/532597503.db2.gz YGLWCFVJAGUIFO-UKRRQHHQSA-N 1 2 380.432 2.239 20 0 GEADLO Cc1ccccc1[C@@H](CC(F)(F)F)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632282312 532597509 /nfs/dbraw/zinc/59/75/09/532597509.db2.gz YGLWCFVJAGUIFO-UKRRQHHQSA-N 1 2 380.432 2.239 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](Cc2cccc(I)c2)C2CC2)C1 ZINC000284521109 532597686 /nfs/dbraw/zinc/59/76/86/532597686.db2.gz ZBZKDCMRRIGDKI-CQSZACIVSA-N 1 2 391.274 2.443 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2cccc(I)c2)C2CC2)C1 ZINC000284521109 532597691 /nfs/dbraw/zinc/59/76/91/532597691.db2.gz ZBZKDCMRRIGDKI-CQSZACIVSA-N 1 2 391.274 2.443 20 0 GEADLO C[C@H]1C[C@H]([NH2+]Cc2cccc(O)c2Br)C(=O)N1c1cnn(C)c1 ZINC000656503776 532621549 /nfs/dbraw/zinc/62/15/49/532621549.db2.gz ADTGSNXXLQOGOG-GWCFXTLKSA-N 1 2 379.258 2.172 20 0 GEADLO [NH3+][C@@H](C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)c1cscn1 ZINC000566179647 532599221 /nfs/dbraw/zinc/59/92/21/532599221.db2.gz SODBXIDHCXNCIX-SMDDNHRTSA-N 1 2 381.299 2.301 20 0 GEADLO [NH3+][C@H](C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)c1cscn1 ZINC000566185734 532599449 /nfs/dbraw/zinc/59/94/49/532599449.db2.gz PSCWFQCCRATUAY-JTQLQIEISA-N 1 2 380.779 2.405 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1Br ZINC000376187636 532600207 /nfs/dbraw/zinc/60/02/07/532600207.db2.gz MYILOKBIQVBACX-NWDGAFQWSA-N 1 2 385.306 2.231 20 0 GEADLO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000434700711 532600533 /nfs/dbraw/zinc/60/05/33/532600533.db2.gz WEOPAUSTGCXMDD-WFASDCNBSA-N 1 2 379.507 2.419 20 0 GEADLO C[C@@H](CN1CCOCC1)[N@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000434712692 532600652 /nfs/dbraw/zinc/60/06/52/532600652.db2.gz DFJYAGTXUPXINR-ZDUSSCGKSA-N 1 2 395.352 2.420 20 0 GEADLO C[C@@H](CN1CCOCC1)[N@@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000434712692 532600653 /nfs/dbraw/zinc/60/06/53/532600653.db2.gz DFJYAGTXUPXINR-ZDUSSCGKSA-N 1 2 395.352 2.420 20 0 GEADLO COCC[NH+]1CCC(NC(=O)N=c2nc(-c3sccc3C)[nH]s2)CC1 ZINC000473844921 532601612 /nfs/dbraw/zinc/60/16/12/532601612.db2.gz UYTILLZMLWWQGE-UHFFFAOYSA-N 1 2 381.527 2.229 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cccc(F)c1Br)C2 ZINC000566343678 532606872 /nfs/dbraw/zinc/60/68/72/532606872.db2.gz XYXUPVBILVJPKK-LLVKDONJSA-N 1 2 396.260 2.373 20 0 GEADLO CN(C[C@H]1CCC[N@H+](Cc2ncc(Br)cc2F)C1)S(C)(=O)=O ZINC000529567093 532608423 /nfs/dbraw/zinc/60/84/23/532608423.db2.gz SBGFDABMPZPQNE-LLVKDONJSA-N 1 2 394.310 2.087 20 0 GEADLO CN(C[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2F)C1)S(C)(=O)=O ZINC000529567093 532608428 /nfs/dbraw/zinc/60/84/28/532608428.db2.gz SBGFDABMPZPQNE-LLVKDONJSA-N 1 2 394.310 2.087 20 0 GEADLO CNC(=O)NC[C@H]1C[N@H+](Cc2cc3cc(Br)ccc3o2)CCO1 ZINC000529640656 532610412 /nfs/dbraw/zinc/61/04/12/532610412.db2.gz CMGVOXOXVOZWAZ-AWEZNQCLSA-N 1 2 382.258 2.325 20 0 GEADLO CNC(=O)NC[C@H]1C[N@@H+](Cc2cc3cc(Br)ccc3o2)CCO1 ZINC000529640656 532610418 /nfs/dbraw/zinc/61/04/18/532610418.db2.gz CMGVOXOXVOZWAZ-AWEZNQCLSA-N 1 2 382.258 2.325 20 0 GEADLO Cc1cc(Cl)c(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000435251778 532612322 /nfs/dbraw/zinc/61/23/22/532612322.db2.gz JOCJLUOSNJTTTE-LBPRGKRZSA-N 1 2 388.295 2.419 20 0 GEADLO C[N@@H+]1CCN(Cc2csc(CS(C)(=O)=O)n2)C[C@H]1Cc1ccccc1 ZINC000284701494 532612727 /nfs/dbraw/zinc/61/27/27/532612727.db2.gz IBJNZCGLJSOUNX-QGZVFWFLSA-N 1 2 379.551 2.046 20 0 GEADLO C[N@H+]1CCN(Cc2csc(CS(C)(=O)=O)n2)C[C@H]1Cc1ccccc1 ZINC000284701494 532612734 /nfs/dbraw/zinc/61/27/34/532612734.db2.gz IBJNZCGLJSOUNX-QGZVFWFLSA-N 1 2 379.551 2.046 20 0 GEADLO O=C1NCCCC[C@@H]1[NH+]1CCN(c2nc(C(Cl)(Cl)Cl)ns2)CC1 ZINC000376449553 532613043 /nfs/dbraw/zinc/61/30/43/532613043.db2.gz PXCKEMQTNHBMFS-VIFPVBQESA-N 1 2 398.747 2.156 20 0 GEADLO O=C(CN1CSCC1=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435334708 532613360 /nfs/dbraw/zinc/61/33/60/532613360.db2.gz HUGSCNCNDUISLE-UHFFFAOYSA-N 1 2 378.885 2.098 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)Cc1ccc(Br)s1 ZINC000298066194 532623651 /nfs/dbraw/zinc/62/36/51/532623651.db2.gz FGMHVFQKSINJKY-JTQLQIEISA-N 1 2 388.331 2.055 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000298066194 532623653 /nfs/dbraw/zinc/62/36/53/532623653.db2.gz FGMHVFQKSINJKY-JTQLQIEISA-N 1 2 388.331 2.055 20 0 GEADLO O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000436885101 532645936 /nfs/dbraw/zinc/64/59/36/532645936.db2.gz IAVKUUDVBVMZEZ-CYBMUJFWSA-N 1 2 389.279 2.262 20 0 GEADLO Cc1nc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)ccc1I ZINC000597687353 532625124 /nfs/dbraw/zinc/62/51/24/532625124.db2.gz NOCYWIPYVCWFMX-VIFPVBQESA-N 1 2 382.205 2.461 20 0 GEADLO Cc1nc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)ccc1I ZINC000597687353 532625128 /nfs/dbraw/zinc/62/51/28/532625128.db2.gz NOCYWIPYVCWFMX-VIFPVBQESA-N 1 2 382.205 2.461 20 0 GEADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000284872471 532627714 /nfs/dbraw/zinc/62/77/14/532627714.db2.gz SPQLDNQJLPHIGX-ABAIWWIYSA-N 1 2 389.283 2.051 20 0 GEADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000284872471 532627720 /nfs/dbraw/zinc/62/77/20/532627720.db2.gz SPQLDNQJLPHIGX-ABAIWWIYSA-N 1 2 389.283 2.051 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Br)N1CC[NH2+]C[C@H]1C(F)F ZINC000376796551 532630387 /nfs/dbraw/zinc/63/03/87/532630387.db2.gz NIJREWZUQBRXPX-VIFPVBQESA-N 1 2 389.649 2.330 20 0 GEADLO CN(CCOc1ccc(Br)cc1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000436264316 532631475 /nfs/dbraw/zinc/63/14/75/532631475.db2.gz JKTGMLULDLUXGP-UHFFFAOYSA-N 1 2 377.246 2.223 20 0 GEADLO COc1ccc(Br)c(CN(C)c2nc3c(cnn3C)c(N)[nH+]2)c1 ZINC000436358844 532631881 /nfs/dbraw/zinc/63/18/81/532631881.db2.gz CLZXUXCPKCBGBT-UHFFFAOYSA-N 1 2 377.246 2.353 20 0 GEADLO CCN(C(C)=O)c1nc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cs1 ZINC000531811152 532636446 /nfs/dbraw/zinc/63/64/46/532636446.db2.gz KLTSFFWGNCONLK-UHFFFAOYSA-N 1 2 379.507 2.136 20 0 GEADLO COC(=O)[C@H]([NH2+][C@@H](C)CCc1ccc(I)cc1)[C@H](C)O ZINC000475091916 532636511 /nfs/dbraw/zinc/63/65/11/532636511.db2.gz KLOHKRBRBTVPGO-COPLHBTASA-N 1 2 391.249 2.124 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCCCn2cc(Br)cn2)C1 ZINC000377028748 532636740 /nfs/dbraw/zinc/63/67/40/532636740.db2.gz HOMSKHPWFKBNAU-CYBMUJFWSA-N 1 2 395.305 2.358 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000284988088 532637799 /nfs/dbraw/zinc/63/77/99/532637799.db2.gz BLPBWEWVILFHJP-GFCCVEGCSA-N 1 2 385.277 2.457 20 0 GEADLO CCn1cc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cn1 ZINC000263887619 532646698 /nfs/dbraw/zinc/64/66/98/532646698.db2.gz QJRRUFPDWVERMV-OAHLLOKOSA-N 1 2 379.873 2.358 20 0 GEADLO Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000567110768 532641740 /nfs/dbraw/zinc/64/17/40/532641740.db2.gz XFYCLFBCIUUOCG-JTQLQIEISA-N 1 2 383.258 2.281 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)NCC(C)(C)n2cc[nH+]c2)c1 ZINC000632728254 532642373 /nfs/dbraw/zinc/64/23/73/532642373.db2.gz CPCSLVWTYIERRO-UHFFFAOYSA-N 1 2 388.287 2.368 20 0 GEADLO CC(C)(CNS(=O)(=O)c1ccc(F)c(Br)c1)n1cc[nH+]c1 ZINC000632728879 532642540 /nfs/dbraw/zinc/64/25/40/532642540.db2.gz DVYDJCXAYKBXLF-UHFFFAOYSA-N 1 2 376.251 2.498 20 0 GEADLO COc1ccc(S(=O)(=O)NCC(C)(C)n2cc[nH+]c2)c(Br)c1 ZINC000632733158 532642869 /nfs/dbraw/zinc/64/28/69/532642869.db2.gz PHVNLJLHKSVHJI-UHFFFAOYSA-N 1 2 388.287 2.368 20 0 GEADLO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436864473 532645138 /nfs/dbraw/zinc/64/51/38/532645138.db2.gz NPROFBXXSYOFAM-LBPRGKRZSA-N 1 2 389.265 2.116 20 0 GEADLO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1[nH+]ccn1C ZINC000264262874 532669215 /nfs/dbraw/zinc/66/92/15/532669215.db2.gz DJGKSIQQUAOVRA-CQSZACIVSA-N 1 2 380.901 2.241 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC000478810951 532660839 /nfs/dbraw/zinc/66/08/39/532660839.db2.gz GFXHMNBNYKLYSO-UHFFFAOYSA-N 1 2 375.230 2.300 20 0 GEADLO NC(=O)c1ccc(N2CC[NH+](Cc3csc(Br)c3)CC2)nc1 ZINC000298722298 532669237 /nfs/dbraw/zinc/66/92/37/532669237.db2.gz DTUAMHWKGOWAMO-UHFFFAOYSA-N 1 2 381.299 2.327 20 0 GEADLO O=S(=O)(c1cc(F)cc(Cl)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000533693084 532666287 /nfs/dbraw/zinc/66/62/87/532666287.db2.gz FUYYWFHHUSNJCH-HNNXBMFYSA-N 1 2 376.881 2.355 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000599564164 532666347 /nfs/dbraw/zinc/66/63/47/532666347.db2.gz GBKIQDLFRFLRNF-BDJLRTHQSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000599564164 532666350 /nfs/dbraw/zinc/66/63/50/532666350.db2.gz GBKIQDLFRFLRNF-BDJLRTHQSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@@]1([NH2+]CCc2cnn(C)c2)CCc2cc(Br)ccc2C1 ZINC000599592845 532667965 /nfs/dbraw/zinc/66/79/65/532667965.db2.gz ATXKVWKXNMJKGM-GOSISDBHSA-N 1 2 392.297 2.415 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000532161618 532647109 /nfs/dbraw/zinc/64/71/09/532647109.db2.gz AORKUWGPYPVHHP-SWLSCSKDSA-N 1 2 380.794 2.352 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000532161618 532647114 /nfs/dbraw/zinc/64/71/14/532647114.db2.gz AORKUWGPYPVHHP-SWLSCSKDSA-N 1 2 380.794 2.352 20 0 GEADLO C[C@H](O)CNc1cc(NCC(=O)Nc2ccc(Br)cc2)nc[nH+]1 ZINC000298433712 532648965 /nfs/dbraw/zinc/64/89/65/532648965.db2.gz XDOYHFZSGDBLHG-JTQLQIEISA-N 1 2 380.246 2.082 20 0 GEADLO C[C@H](O)CNc1cc(NCC(=O)Nc2ccc(Br)cc2)[nH+]cn1 ZINC000298433712 532648967 /nfs/dbraw/zinc/64/89/67/532648967.db2.gz XDOYHFZSGDBLHG-JTQLQIEISA-N 1 2 380.246 2.082 20 0 GEADLO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCc3cccc(Br)c3C2)C[C@@H](C)O1 ZINC000532313207 532649130 /nfs/dbraw/zinc/64/91/30/532649130.db2.gz OWYUPHXDIYLTKP-FMKPAKJESA-N 1 2 383.330 2.277 20 0 GEADLO C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCc3cccc(Br)c3C2)C[C@@H](C)O1 ZINC000532313207 532649134 /nfs/dbraw/zinc/64/91/34/532649134.db2.gz OWYUPHXDIYLTKP-FMKPAKJESA-N 1 2 383.330 2.277 20 0 GEADLO CCNC(=O)c1ccc(CNc2[nH+]cnc3c2c(Br)nn3C)cc1 ZINC000263960954 532652463 /nfs/dbraw/zinc/65/24/63/532652463.db2.gz OVRQYIHBTVVCGK-UHFFFAOYSA-N 1 2 389.257 2.488 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)c1 ZINC000437225701 532652626 /nfs/dbraw/zinc/65/26/26/532652626.db2.gz KUXACQVBDNTNQX-UHFFFAOYSA-N 1 2 398.238 2.000 20 0 GEADLO Cc1cc(Br)c(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)s1 ZINC000437228697 532653139 /nfs/dbraw/zinc/65/31/39/532653139.db2.gz XQHKRXVINRNVSH-UHFFFAOYSA-N 1 2 388.268 2.361 20 0 GEADLO C[C@@H](CCS(C)(=O)=O)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532398735 532653502 /nfs/dbraw/zinc/65/35/02/532653502.db2.gz JERKAABLTWTJGL-WFASDCNBSA-N 1 2 375.922 2.065 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000477681878 532654362 /nfs/dbraw/zinc/65/43/62/532654362.db2.gz WZJUOOMCOFGKJB-LBPRGKRZSA-N 1 2 394.324 2.336 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000477681878 532654368 /nfs/dbraw/zinc/65/43/68/532654368.db2.gz WZJUOOMCOFGKJB-LBPRGKRZSA-N 1 2 394.324 2.336 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)Nc2cc(C)nn2-c2cc[nH+]cc2)c1 ZINC000437329664 532656206 /nfs/dbraw/zinc/65/62/06/532656206.db2.gz ZNPMNZPQTLZMQL-UHFFFAOYSA-N 1 2 378.435 2.225 20 0 GEADLO CCOC(=O)C[C@H](O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000599372528 532659760 /nfs/dbraw/zinc/65/97/60/532659760.db2.gz VYGIFGVWYMRGCC-MFKMUULPSA-N 1 2 398.257 2.464 20 0 GEADLO Cc1cc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c(C)c[nH+]1 ZINC000378217436 532683860 /nfs/dbraw/zinc/68/38/60/532683860.db2.gz DSVLSDMVAYUOTD-HNNXBMFYSA-N 1 2 379.507 2.364 20 0 GEADLO CN(Cc1cc2c(c[nH+]1)OCCO2)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000638183216 532684037 /nfs/dbraw/zinc/68/40/37/532684037.db2.gz USKQOLODJLNVEE-CQSZACIVSA-N 1 2 380.853 2.467 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000285504790 532685935 /nfs/dbraw/zinc/68/59/35/532685935.db2.gz QJLKSIDCXWSHIT-UHFFFAOYSA-N 1 2 379.295 2.349 20 0 GEADLO COC(=O)CC1([NH2+]Cc2coc(-c3cccs3)n2)CCS(=O)(=O)CC1 ZINC000439253327 532686469 /nfs/dbraw/zinc/68/64/69/532686469.db2.gz AASICTVVRHPMAM-UHFFFAOYSA-N 1 2 384.479 2.003 20 0 GEADLO CN(C1CC1)S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Br)cc1 ZINC000660014680 532669811 /nfs/dbraw/zinc/66/98/11/532669811.db2.gz PYNNLSJSZQMFGA-AWEZNQCLSA-N 1 2 399.314 2.201 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000298715583 532669934 /nfs/dbraw/zinc/66/99/34/532669934.db2.gz BZPDBEMPVKMHKO-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000298715583 532669938 /nfs/dbraw/zinc/66/99/38/532669938.db2.gz BZPDBEMPVKMHKO-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO O=S(=O)(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cccc(Cl)c1F ZINC000660033579 532672715 /nfs/dbraw/zinc/67/27/15/532672715.db2.gz AWVDFXWABIZDNV-HUUCEWRRSA-N 1 2 388.892 2.401 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@@H+]1[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000438596511 532673756 /nfs/dbraw/zinc/67/37/56/532673756.db2.gz LCZJDLUUICVRKI-KBPBESRZSA-N 1 2 380.535 2.494 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@H+]1[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000438596511 532673762 /nfs/dbraw/zinc/67/37/62/532673762.db2.gz LCZJDLUUICVRKI-KBPBESRZSA-N 1 2 380.535 2.494 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)C[NH+]1CCN(C)CC1 ZINC000298783334 532673926 /nfs/dbraw/zinc/67/39/26/532673926.db2.gz AHSPDOZDTDIQQY-LBPRGKRZSA-N 1 2 380.341 2.155 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1Br ZINC000378000719 532675509 /nfs/dbraw/zinc/67/55/09/532675509.db2.gz NPHMUGCFPAWQBO-VXGBXAGGSA-N 1 2 385.306 2.231 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(I)cc1Cl ZINC000600421783 532675744 /nfs/dbraw/zinc/67/57/44/532675744.db2.gz OHFJYPDBOZAHQW-JTQLQIEISA-N 1 2 394.640 2.005 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(I)cc1Cl ZINC000600421783 532675752 /nfs/dbraw/zinc/67/57/52/532675752.db2.gz OHFJYPDBOZAHQW-JTQLQIEISA-N 1 2 394.640 2.005 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cc(Cl)sc1Cl)C[NH+]1CCN(C)CC1 ZINC000298812990 532675953 /nfs/dbraw/zinc/67/59/53/532675953.db2.gz LODQPUFFEZVJHM-JTQLQIEISA-N 1 2 386.370 2.217 20 0 GEADLO CC(C)OCCC[N@H+](C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000568452223 532676190 /nfs/dbraw/zinc/67/61/90/532676190.db2.gz NVULVVMTRZBFRN-UHFFFAOYSA-N 1 2 376.906 2.429 20 0 GEADLO CC(C)OCCC[N@@H+](C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000568452223 532676195 /nfs/dbraw/zinc/67/61/95/532676195.db2.gz NVULVVMTRZBFRN-UHFFFAOYSA-N 1 2 376.906 2.429 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000298818759 532677365 /nfs/dbraw/zinc/67/73/65/532677365.db2.gz BDUWYIPZQZSTOV-UHFFFAOYSA-N 1 2 383.221 2.368 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000298827096 532677533 /nfs/dbraw/zinc/67/75/33/532677533.db2.gz SWGGQBCHZNSJKF-GFCCVEGCSA-N 1 2 380.341 2.155 20 0 GEADLO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661114131 532678512 /nfs/dbraw/zinc/67/85/12/532678512.db2.gz DUZXABSHNUUZRA-YESZJQIVSA-N 1 2 394.313 2.421 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)C(=O)NCc1cc(Br)cs1 ZINC000285425569 532678871 /nfs/dbraw/zinc/67/88/71/532678871.db2.gz YILAVNHFHBMUIA-UHFFFAOYSA-N 1 2 397.298 2.140 20 0 GEADLO O=C(NCc1cc2c(c(Br)c1)OCO2)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378085962 532679820 /nfs/dbraw/zinc/67/98/20/532679820.db2.gz IQYSZDNUZWXHQI-SNVBAGLBSA-N 1 2 393.241 2.258 20 0 GEADLO O=C(NCc1cc2c(c(Br)c1)OCO2)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378085962 532679826 /nfs/dbraw/zinc/67/98/26/532679826.db2.gz IQYSZDNUZWXHQI-SNVBAGLBSA-N 1 2 393.241 2.258 20 0 GEADLO CC1(C)C[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCO1 ZINC000638100267 532679949 /nfs/dbraw/zinc/67/99/49/532679949.db2.gz XIOWNHDCCQAZOM-UHFFFAOYSA-N 1 2 377.304 2.097 20 0 GEADLO CC1(C)C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCO1 ZINC000638100267 532679955 /nfs/dbraw/zinc/67/99/55/532679955.db2.gz XIOWNHDCCQAZOM-UHFFFAOYSA-N 1 2 377.304 2.097 20 0 GEADLO O=C(c1cc(F)c(F)cc1I)N1CCn2c[nH+]cc2C1 ZINC000378104328 532680574 /nfs/dbraw/zinc/68/05/74/532680574.db2.gz BMANBDDCUVJLIH-UHFFFAOYSA-N 1 2 389.143 2.422 20 0 GEADLO CC[C@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCS1 ZINC000638093880 532680753 /nfs/dbraw/zinc/68/07/53/532680753.db2.gz NSYBEKXJOCATKT-NSHDSACASA-N 1 2 379.345 2.424 20 0 GEADLO CC[C@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCS1 ZINC000638093880 532680754 /nfs/dbraw/zinc/68/07/54/532680754.db2.gz NSYBEKXJOCATKT-NSHDSACASA-N 1 2 379.345 2.424 20 0 GEADLO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)s1 ZINC000535458990 532681705 /nfs/dbraw/zinc/68/17/05/532681705.db2.gz JAPHTPKXXSNDCO-DLBZAZTESA-N 1 2 380.535 2.218 20 0 GEADLO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)s1 ZINC000535458990 532681711 /nfs/dbraw/zinc/68/17/11/532681711.db2.gz JAPHTPKXXSNDCO-DLBZAZTESA-N 1 2 380.535 2.218 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000285475103 532682656 /nfs/dbraw/zinc/68/26/56/532682656.db2.gz OEAFFGMWJJGHKS-UHFFFAOYSA-N 1 2 384.889 2.151 20 0 GEADLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000639204313 532691373 /nfs/dbraw/zinc/69/13/73/532691373.db2.gz QPXKRZHRXOSOKA-NSHDSACASA-N 1 2 387.864 2.430 20 0 GEADLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000639204313 532691380 /nfs/dbraw/zinc/69/13/80/532691380.db2.gz QPXKRZHRXOSOKA-NSHDSACASA-N 1 2 387.864 2.430 20 0 GEADLO Cn1ccnc1[C@@H]([NH2+]Cc1cnn2cc(Br)cnc12)C(C)(C)CO ZINC000639224832 532691692 /nfs/dbraw/zinc/69/16/92/532691692.db2.gz QVOYGDGOVZTKFW-CYBMUJFWSA-N 1 2 393.289 2.075 20 0 GEADLO Cc1cc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)c(C)c[nH+]1 ZINC000536574517 532693422 /nfs/dbraw/zinc/69/34/22/532693422.db2.gz AVKZTEKIVYXRHK-UHFFFAOYSA-N 1 2 387.237 2.231 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCc1cccc(Br)c1 ZINC000665108567 532694041 /nfs/dbraw/zinc/69/40/41/532694041.db2.gz KHBRTQQRFCSYKJ-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCc1cccc(Br)c1 ZINC000665108567 532694043 /nfs/dbraw/zinc/69/40/43/532694043.db2.gz KHBRTQQRFCSYKJ-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO O=C(Nc1nnc(C(F)(F)F)s1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000665313434 532694928 /nfs/dbraw/zinc/69/49/28/532694928.db2.gz KHJRTTBNEALWMK-UHFFFAOYSA-N 1 2 379.408 2.133 20 0 GEADLO Cc1[nH+]c2n(c1CN1CCN(c3ncc(Br)cn3)CC1)CCCC2 ZINC000378521345 532697470 /nfs/dbraw/zinc/69/74/70/532697470.db2.gz MSYIHMPMQVYQSD-UHFFFAOYSA-N 1 2 391.317 2.403 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000285687683 532698089 /nfs/dbraw/zinc/69/80/89/532698089.db2.gz OFGSFZKMXVNTFC-VIFPVBQESA-N 1 2 399.314 2.107 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)[C@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536906196 532699276 /nfs/dbraw/zinc/69/92/76/532699276.db2.gz RSMXKQOJJJVKMG-VBNZEHGJSA-N 1 2 376.881 2.323 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)[C@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536906196 532699280 /nfs/dbraw/zinc/69/92/80/532699280.db2.gz RSMXKQOJJJVKMG-VBNZEHGJSA-N 1 2 376.881 2.323 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000666688119 532700477 /nfs/dbraw/zinc/70/04/77/532700477.db2.gz HLONSOKEMKNXGZ-UHFFFAOYSA-N 1 2 394.273 2.045 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285725427 532702048 /nfs/dbraw/zinc/70/20/48/532702048.db2.gz UXWBKTSKKHGKPH-UKRRQHHQSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285725427 532702056 /nfs/dbraw/zinc/70/20/56/532702056.db2.gz UXWBKTSKKHGKPH-UKRRQHHQSA-N 1 2 387.933 2.331 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2ccc(F)cc2Br)[C@@H](C)CO1 ZINC000663783353 532687474 /nfs/dbraw/zinc/68/74/74/532687474.db2.gz IKUUDRIFIRZDLG-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(F)cc2Br)[C@@H](C)CO1 ZINC000663783353 532687480 /nfs/dbraw/zinc/68/74/80/532687480.db2.gz IKUUDRIFIRZDLG-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO CCCS(=O)(=O)CC[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000265213413 532688827 /nfs/dbraw/zinc/68/88/27/532688827.db2.gz FCORNAYRTGJOAT-CYBMUJFWSA-N 1 2 383.432 2.202 20 0 GEADLO CCCS(=O)(=O)CC[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000265213413 532688835 /nfs/dbraw/zinc/68/88/35/532688835.db2.gz FCORNAYRTGJOAT-CYBMUJFWSA-N 1 2 383.432 2.202 20 0 GEADLO CC[N@H+](Cc1ccccc1Br)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000439330440 532690941 /nfs/dbraw/zinc/69/09/41/532690941.db2.gz QMFHATUSAWVDOG-UKRRQHHQSA-N 1 2 396.329 2.383 20 0 GEADLO CC[N@@H+](Cc1ccccc1Br)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000439330440 532690946 /nfs/dbraw/zinc/69/09/46/532690946.db2.gz QMFHATUSAWVDOG-UKRRQHHQSA-N 1 2 396.329 2.383 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c(C)c1C ZINC000285750641 532703212 /nfs/dbraw/zinc/70/32/12/532703212.db2.gz WOFHKTHDULTACV-OAHLLOKOSA-N 1 2 387.571 2.215 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c(C)c1C ZINC000285750641 532703218 /nfs/dbraw/zinc/70/32/18/532703218.db2.gz WOFHKTHDULTACV-OAHLLOKOSA-N 1 2 387.571 2.215 20 0 GEADLO Cc1cc(I)cnc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000440256821 532708414 /nfs/dbraw/zinc/70/84/14/532708414.db2.gz DGQLKSSTZDXOMH-JTQLQIEISA-N 1 2 382.205 2.392 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NCc1sccc1Br ZINC000573261123 532709509 /nfs/dbraw/zinc/70/95/09/532709509.db2.gz GJGGLZSXLHHZCG-UHFFFAOYSA-N 1 2 399.314 2.296 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000608045260 532710707 /nfs/dbraw/zinc/71/07/07/532710707.db2.gz RXPUDONKVSBQSE-HNNXBMFYSA-N 1 2 388.917 2.224 20 0 GEADLO CN(CCc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494216411 532714025 /nfs/dbraw/zinc/71/40/25/532714025.db2.gz OGQFBNWLVXZTGJ-QGZVFWFLSA-N 1 2 396.329 2.496 20 0 GEADLO CN(CCc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494216411 532714030 /nfs/dbraw/zinc/71/40/30/532714030.db2.gz OGQFBNWLVXZTGJ-QGZVFWFLSA-N 1 2 396.329 2.496 20 0 GEADLO COC(=O)CNC(=O)[C@H](C)[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000494280588 532715755 /nfs/dbraw/zinc/71/57/55/532715755.db2.gz XDDZKTKKUMMIPI-VIFPVBQESA-N 1 2 377.666 2.212 20 0 GEADLO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000494280588 532715758 /nfs/dbraw/zinc/71/57/58/532715758.db2.gz XDDZKTKKUMMIPI-VIFPVBQESA-N 1 2 377.666 2.212 20 0 GEADLO O=c1[nH]c(C[N@H+](CCO)CCOCC(F)(F)F)nc2ccc(Cl)cc12 ZINC000299450134 532716342 /nfs/dbraw/zinc/71/63/42/532716342.db2.gz ZCIMRJBIFHQKKP-UHFFFAOYSA-N 1 2 379.766 2.362 20 0 GEADLO O=c1[nH]c(C[N@@H+](CCO)CCOCC(F)(F)F)nc2ccc(Cl)cc12 ZINC000299450134 532716349 /nfs/dbraw/zinc/71/63/49/532716349.db2.gz ZCIMRJBIFHQKKP-UHFFFAOYSA-N 1 2 379.766 2.362 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670494563 532717734 /nfs/dbraw/zinc/71/77/34/532717734.db2.gz FHPUHMINOZOODK-UHFFFAOYSA-N 1 2 383.279 2.445 20 0 GEADLO Cc1nc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)[nH]c1C ZINC000575331259 532720163 /nfs/dbraw/zinc/72/01/63/532720163.db2.gz OADBINLTBBUWBQ-UHFFFAOYSA-N 1 2 377.297 2.401 20 0 GEADLO Cc1[nH]c(CNCCNS(=O)(=O)c2cccc(Cl)c2Cl)[nH+]c1C ZINC000575331259 532720171 /nfs/dbraw/zinc/72/01/71/532720171.db2.gz OADBINLTBBUWBQ-UHFFFAOYSA-N 1 2 377.297 2.401 20 0 GEADLO O=C(NCCSCC(F)(F)F)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000538776297 532720349 /nfs/dbraw/zinc/72/03/49/532720349.db2.gz SDJZHXOOUJZZOB-UHFFFAOYSA-N 1 2 378.420 2.013 20 0 GEADLO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)Nc1ccn2cc[nH+]c2c1 ZINC000646047243 532721309 /nfs/dbraw/zinc/72/13/09/532721309.db2.gz AWQDSHOSFTYSNI-UHFFFAOYSA-N 1 2 378.841 2.295 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000286005333 532724158 /nfs/dbraw/zinc/72/41/58/532724158.db2.gz YQAAYVUMGHULLS-XNRPHZJLSA-N 1 2 395.297 2.247 20 0 GEADLO CC[C@H]1CN(Cc2cn3cc(Br)ccc3[nH+]2)C[C@H](C)S1(=O)=O ZINC000672566124 532727040 /nfs/dbraw/zinc/72/70/40/532727040.db2.gz HDNQJINFHQCELN-FZMZJTMJSA-N 1 2 386.315 2.494 20 0 GEADLO CC[C@@H]1CN(Cc2cn3cc(Br)ccc3[nH+]2)C[C@H](C)S1(=O)=O ZINC000672566126 532727128 /nfs/dbraw/zinc/72/71/28/532727128.db2.gz HDNQJINFHQCELN-SMDDNHRTSA-N 1 2 386.315 2.494 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000286077150 532727824 /nfs/dbraw/zinc/72/78/24/532727824.db2.gz SEOPRCQZONOTBS-SUYBPPKGSA-N 1 2 387.293 2.417 20 0 GEADLO O=S(=O)(c1cccc2c1OCO2)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000577074635 532731523 /nfs/dbraw/zinc/73/15/23/532731523.db2.gz ILYYPVHFLBMIDN-CQSZACIVSA-N 1 2 380.853 2.404 20 0 GEADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)N(C)C)c(Br)c1 ZINC000538811091 532719627 /nfs/dbraw/zinc/71/96/27/532719627.db2.gz TYFALGMPWMEVLR-GFCCVEGCSA-N 1 2 385.306 2.288 20 0 GEADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C)c(Br)c1 ZINC000538811091 532719632 /nfs/dbraw/zinc/71/96/32/532719632.db2.gz TYFALGMPWMEVLR-GFCCVEGCSA-N 1 2 385.306 2.288 20 0 GEADLO C[C@@H](Nc1[nH+]cnc2c1c(Br)nn2C)C(=O)N1CCCC[C@H]1C ZINC000301142275 532742199 /nfs/dbraw/zinc/74/21/99/532742199.db2.gz CLPHYKMPBHFTJV-NXEZZACHSA-N 1 2 381.278 2.327 20 0 GEADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2Br)nn1 ZINC000580138934 532746086 /nfs/dbraw/zinc/74/60/86/532746086.db2.gz UWTAPOBSYHTURP-OAHLLOKOSA-N 1 2 378.274 2.082 20 0 GEADLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2Br)nn1 ZINC000580138934 532746093 /nfs/dbraw/zinc/74/60/93/532746093.db2.gz UWTAPOBSYHTURP-OAHLLOKOSA-N 1 2 378.274 2.082 20 0 GEADLO CC[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000267610505 532746668 /nfs/dbraw/zinc/74/66/68/532746668.db2.gz OAOQOQOAYKRWFY-QWHCGFSZSA-N 1 2 375.922 2.187 20 0 GEADLO Cc1nc(N)c(CNC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)c[nH+]1 ZINC000580450056 532747065 /nfs/dbraw/zinc/74/70/65/532747065.db2.gz HJDWDGPUGRZLMG-SNVBAGLBSA-N 1 2 391.269 2.655 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000580453046 532747703 /nfs/dbraw/zinc/74/77/03/532747703.db2.gz LTFKIROEJTWKKU-CYBMUJFWSA-N 1 2 375.281 2.284 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000580453046 532747709 /nfs/dbraw/zinc/74/77/09/532747709.db2.gz LTFKIROEJTWKKU-CYBMUJFWSA-N 1 2 375.281 2.284 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000613639933 532733388 /nfs/dbraw/zinc/73/33/88/532733388.db2.gz RRNGCFDAQOQXPD-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000613639933 532733391 /nfs/dbraw/zinc/73/33/91/532733391.db2.gz RRNGCFDAQOQXPD-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO O=C(c1cn2ccc(Br)cc2n1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000286209809 532734039 /nfs/dbraw/zinc/73/40/39/532734039.db2.gz RYQSVZADVHJRTF-CQSZACIVSA-N 1 2 393.285 2.034 20 0 GEADLO CCn1cc(S(=O)(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)nc1C ZINC000442764604 532734355 /nfs/dbraw/zinc/73/43/55/532734355.db2.gz CTPQLKAWLMPMQU-UHFFFAOYSA-N 1 2 382.917 2.201 20 0 GEADLO CCn1cc(S(=O)(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)nc1C ZINC000442764604 532734362 /nfs/dbraw/zinc/73/43/62/532734362.db2.gz CTPQLKAWLMPMQU-UHFFFAOYSA-N 1 2 382.917 2.201 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 ZINC000267152140 532735325 /nfs/dbraw/zinc/73/53/25/532735325.db2.gz FAERZOHVSIPEEK-UHFFFAOYSA-N 1 2 382.511 2.130 20 0 GEADLO O=C(NC[C@@H]1CN2CC[N@@H+]1CCC2)c1c[nH]c2cccc(Br)c12 ZINC000614502734 532737617 /nfs/dbraw/zinc/73/76/17/532737617.db2.gz MBKXQBCRUCPGDC-GFCCVEGCSA-N 1 2 377.286 2.050 20 0 GEADLO O=C(NC[C@@H]1CN2CC[N@H+]1CCC2)c1c[nH]c2cccc(Br)c12 ZINC000614502734 532737628 /nfs/dbraw/zinc/73/76/28/532737628.db2.gz MBKXQBCRUCPGDC-GFCCVEGCSA-N 1 2 377.286 2.050 20 0 GEADLO O=C(CCc1ccc(Br)cc1F)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614505792 532738370 /nfs/dbraw/zinc/73/83/70/532738370.db2.gz AUAHYONMFGPPLG-HNNXBMFYSA-N 1 2 384.293 2.027 20 0 GEADLO O=C(CCc1ccc(Br)cc1F)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614505792 532738375 /nfs/dbraw/zinc/73/83/75/532738375.db2.gz AUAHYONMFGPPLG-HNNXBMFYSA-N 1 2 384.293 2.027 20 0 GEADLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCSCc2ccccc2)CC1 ZINC000286443643 532747941 /nfs/dbraw/zinc/74/79/41/532747941.db2.gz LWHFPZMACWXKMJ-UHFFFAOYSA-N 1 2 385.551 2.362 20 0 GEADLO Cc1ccc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c(Br)c1 ZINC000267493601 532741814 /nfs/dbraw/zinc/74/18/14/532741814.db2.gz PMOFPUHLFGDJOY-UHFFFAOYSA-N 1 2 383.290 2.171 20 0 GEADLO CCC[N@H+](C)[C@H](CNC(=O)CSc1n[nH]c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000286556267 532754430 /nfs/dbraw/zinc/75/44/30/532754430.db2.gz ZMGWIOKOIRJIOG-CYBMUJFWSA-N 1 2 383.905 2.043 20 0 GEADLO CCC[N@@H+](C)[C@H](CNC(=O)CSc1n[nH]c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000286556267 532754436 /nfs/dbraw/zinc/75/44/36/532754436.db2.gz ZMGWIOKOIRJIOG-CYBMUJFWSA-N 1 2 383.905 2.043 20 0 GEADLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2cccc(I)c2)o1 ZINC000541685532 532758202 /nfs/dbraw/zinc/75/82/02/532758202.db2.gz ACMLKNCCEAMQDV-QMMMGPOBSA-N 1 2 386.193 2.272 20 0 GEADLO COC(=O)c1nscc1S(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000541833036 532759164 /nfs/dbraw/zinc/75/91/64/532759164.db2.gz WYAXFCXPQMJPKQ-UHFFFAOYSA-N 1 2 381.357 2.082 20 0 GEADLO CCS[C@@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000301728862 532759454 /nfs/dbraw/zinc/75/94/54/532759454.db2.gz RJJSAVDWJCTNMW-JKSUJKDBSA-N 1 2 384.571 2.104 20 0 GEADLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cccc(Br)c1O ZINC000581920619 532759520 /nfs/dbraw/zinc/75/95/20/532759520.db2.gz LWYDSORWANEVLO-GFCCVEGCSA-N 1 2 383.286 2.480 20 0 GEADLO CN1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC1=O ZINC000619059452 532760100 /nfs/dbraw/zinc/76/01/00/532760100.db2.gz PVLAECOWUFFTHZ-KRWDZBQOSA-N 1 2 394.313 2.277 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000268292942 532760992 /nfs/dbraw/zinc/76/09/92/532760992.db2.gz VICSGPKMUDSBFT-DGCLKSJQSA-N 1 2 385.287 2.312 20 0 GEADLO CN1CCOC[C@@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000541888925 532761969 /nfs/dbraw/zinc/76/19/69/532761969.db2.gz DYKAMDPMRXDMOB-QGZVFWFLSA-N 1 2 386.323 2.011 20 0 GEADLO O=C(C[N@H+]1CCOC[C@@H](O)C1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000451225579 532762316 /nfs/dbraw/zinc/76/23/16/532762316.db2.gz ILIPSMWWPANRKJ-JTQLQIEISA-N 1 2 397.191 2.100 20 0 GEADLO O=C(C[N@@H+]1CCOC[C@@H](O)C1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000451225579 532762317 /nfs/dbraw/zinc/76/23/17/532762317.db2.gz ILIPSMWWPANRKJ-JTQLQIEISA-N 1 2 397.191 2.100 20 0 GEADLO CCOCc1nnc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)n1C ZINC000508574299 532762807 /nfs/dbraw/zinc/76/28/07/532762807.db2.gz VLVGYUFQBFDSSN-UHFFFAOYSA-N 1 2 394.317 2.436 20 0 GEADLO O=C(N[C@@H](CO)c1ccc(Br)cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540914249 532748352 /nfs/dbraw/zinc/74/83/52/532748352.db2.gz UUQAWVUXDRMIBQ-INIZCTEOSA-N 1 2 387.237 2.493 20 0 GEADLO COc1c(Cl)cc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000267632014 532749339 /nfs/dbraw/zinc/74/93/39/532749339.db2.gz XKSLBFNWYWZEDV-LBPRGKRZSA-N 1 2 392.283 2.159 20 0 GEADLO CCC[C@H](CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)c1ccc(Cl)cc1Cl ZINC000444707568 532750449 /nfs/dbraw/zinc/75/04/49/532750449.db2.gz YMTGRWGRYNKKPF-LYRGGWFBSA-N 1 2 375.296 2.031 20 0 GEADLO CCC[C@H](CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)c1ccc(Cl)cc1Cl ZINC000444707568 532750455 /nfs/dbraw/zinc/75/04/55/532750455.db2.gz YMTGRWGRYNKKPF-LYRGGWFBSA-N 1 2 375.296 2.031 20 0 GEADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncccc2S(N)(=O)=O)CC1 ZINC000301436147 532750802 /nfs/dbraw/zinc/75/08/02/532750802.db2.gz HLTGXOBNYVGIAS-CYBMUJFWSA-N 1 2 380.901 2.266 20 0 GEADLO C[S@](=O)c1ccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000506311947 532753235 /nfs/dbraw/zinc/75/32/35/532753235.db2.gz YYLXTVMZDPVIQD-DEOSSOPVSA-N 1 2 398.575 2.428 20 0 GEADLO CSC[C@](C)(O)CNc1nc(NC[C@@](C)(O)CSC)c(Cl)c[nH+]1 ZINC000269025965 532775104 /nfs/dbraw/zinc/77/51/04/532775104.db2.gz HGJJMXLWUAGZOG-ZIAGYGMSSA-N 1 2 380.967 2.182 20 0 GEADLO FC(F)C(F)(F)CN1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302869211 532775144 /nfs/dbraw/zinc/77/51/44/532775144.db2.gz APADELPPUZSZJF-UHFFFAOYSA-N 1 2 379.427 2.052 20 0 GEADLO CSC[C@@](C)(O)CNc1nc(NC[C@](C)(O)CSC)c(Cl)c[nH+]1 ZINC000269025955 532775440 /nfs/dbraw/zinc/77/54/40/532775440.db2.gz HGJJMXLWUAGZOG-KBPBESRZSA-N 1 2 380.967 2.182 20 0 GEADLO C[C@H]1CN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC[C@@H]1[NH3+] ZINC000269172042 532776437 /nfs/dbraw/zinc/77/64/37/532776437.db2.gz AGWWELOBUVJSRJ-WFASDCNBSA-N 1 2 379.507 2.358 20 0 GEADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1nnnn1CCOCC(F)(F)F ZINC000451409035 532764185 /nfs/dbraw/zinc/76/41/85/532764185.db2.gz PFIFVQKBJZGBTP-VHSXEESVSA-N 1 2 375.317 2.415 20 0 GEADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1nnnn1CCOCC(F)(F)F ZINC000451409035 532764189 /nfs/dbraw/zinc/76/41/89/532764189.db2.gz PFIFVQKBJZGBTP-VHSXEESVSA-N 1 2 375.317 2.415 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)N(C)CCn2cc(Br)cn2)c(C)[nH+]1 ZINC000411522420 532765087 /nfs/dbraw/zinc/76/50/87/532765087.db2.gz ATWPFYLQCFTSCR-UHFFFAOYSA-N 1 2 394.273 2.063 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000542139792 532765598 /nfs/dbraw/zinc/76/55/98/532765598.db2.gz BAVUPAODXXHSPT-UHFFFAOYSA-N 1 2 377.447 2.403 20 0 GEADLO CCOC(=O)C[N@@H+]1CCCN(c2ccnc3cc(Br)cnc32)CC1 ZINC000302089096 532766076 /nfs/dbraw/zinc/76/60/76/532766076.db2.gz GCYGKTRUZQURFN-UHFFFAOYSA-N 1 2 393.285 2.468 20 0 GEADLO CCOC(=O)C[N@H+]1CCCN(c2ccnc3cc(Br)cnc32)CC1 ZINC000302089096 532766082 /nfs/dbraw/zinc/76/60/82/532766082.db2.gz GCYGKTRUZQURFN-UHFFFAOYSA-N 1 2 393.285 2.468 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000509413527 532768384 /nfs/dbraw/zinc/76/83/84/532768384.db2.gz CTWMKNRFBNLIGY-QWHCGFSZSA-N 1 2 375.332 2.247 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000509413527 532768387 /nfs/dbraw/zinc/76/83/87/532768387.db2.gz CTWMKNRFBNLIGY-QWHCGFSZSA-N 1 2 375.332 2.247 20 0 GEADLO Cc1ccc(C[C@H](CO)Nc2[nH+]cnc3c2c(Br)nn3C)cc1 ZINC000302612377 532771236 /nfs/dbraw/zinc/77/12/36/532771236.db2.gz CBBNIPYKTZNIII-GFCCVEGCSA-N 1 2 376.258 2.450 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000510019238 532772075 /nfs/dbraw/zinc/77/20/75/532772075.db2.gz FPHDEHHDIOKGTA-UWVGGRQHSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000510019238 532772081 /nfs/dbraw/zinc/77/20/81/532772081.db2.gz FPHDEHHDIOKGTA-UWVGGRQHSA-N 1 2 395.308 2.493 20 0 GEADLO CCO[C@@H]1C[C@](O)(CNc2[nH+]cnc3c2c(Br)nn3C)C1(C)C ZINC000302671091 532772905 /nfs/dbraw/zinc/77/29/05/532772905.db2.gz DPXWSEJETNNUAY-PSLIRLAXSA-N 1 2 384.278 2.104 20 0 GEADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000268992226 532774575 /nfs/dbraw/zinc/77/45/75/532774575.db2.gz WKLWGYOSNRXDLU-STQMWFEESA-N 1 2 384.523 2.296 20 0 GEADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000268992226 532774578 /nfs/dbraw/zinc/77/45/78/532774578.db2.gz WKLWGYOSNRXDLU-STQMWFEESA-N 1 2 384.523 2.296 20 0 GEADLO Nc1[nH+]cnc(N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c1Cl ZINC000302828717 532774691 /nfs/dbraw/zinc/77/46/91/532774691.db2.gz JAIIHECENXYCMC-UHFFFAOYSA-N 1 2 381.267 2.126 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000269545545 532782765 /nfs/dbraw/zinc/78/27/65/532782765.db2.gz LHSANRZXQYHVDZ-UHFFFAOYSA-N 1 2 388.693 2.124 20 0 GEADLO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000550051262 532796688 /nfs/dbraw/zinc/79/66/88/532796688.db2.gz MUSSHXLZDKKBPD-CQSZACIVSA-N 1 2 383.279 2.444 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000456499246 532783074 /nfs/dbraw/zinc/78/30/74/532783074.db2.gz RDCYVANFDNANAP-CQSZACIVSA-N 1 2 380.286 2.299 20 0 GEADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000456499246 532783077 /nfs/dbraw/zinc/78/30/77/532783077.db2.gz RDCYVANFDNANAP-CQSZACIVSA-N 1 2 380.286 2.299 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CSc1n[nH]c(=S)s1 ZINC000269600470 532783960 /nfs/dbraw/zinc/78/39/60/532783960.db2.gz UVOITSDIJGSJMK-UHFFFAOYSA-N 1 2 383.524 2.098 20 0 GEADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc(Cl)c(Br)cc1F ZINC000457093790 532785493 /nfs/dbraw/zinc/78/54/93/532785493.db2.gz HCKCPQLZHIVDTR-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(Cl)c(Br)cc1F ZINC000457093790 532785496 /nfs/dbraw/zinc/78/54/96/532785496.db2.gz HCKCPQLZHIVDTR-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO CCN(CC)c1nc2sc(C(=O)N3CC[N@H+](CCO)C[C@H]3C)cc2s1 ZINC000457130844 532787761 /nfs/dbraw/zinc/78/77/61/532787761.db2.gz ROTILLALYAJTTI-GFCCVEGCSA-N 1 2 382.555 2.343 20 0 GEADLO CCN(CC)c1nc2sc(C(=O)N3CC[N@@H+](CCO)C[C@H]3C)cc2s1 ZINC000457130844 532787763 /nfs/dbraw/zinc/78/77/63/532787763.db2.gz ROTILLALYAJTTI-GFCCVEGCSA-N 1 2 382.555 2.343 20 0 GEADLO CCN(CC)c1nc2sc(C(=O)N3CC[N@H+](CCO)C[C@@H]3C)cc2s1 ZINC000457130846 532787950 /nfs/dbraw/zinc/78/79/50/532787950.db2.gz ROTILLALYAJTTI-LBPRGKRZSA-N 1 2 382.555 2.343 20 0 GEADLO CCN(CC)c1nc2sc(C(=O)N3CC[N@@H+](CCO)C[C@@H]3C)cc2s1 ZINC000457130846 532787952 /nfs/dbraw/zinc/78/79/52/532787952.db2.gz ROTILLALYAJTTI-LBPRGKRZSA-N 1 2 382.555 2.343 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CC[C@](O)(C(F)F)C1 ZINC000457931532 532791712 /nfs/dbraw/zinc/79/17/12/532791712.db2.gz BJIYFDVUSUBVEZ-CQSZACIVSA-N 1 2 389.200 2.008 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(C)cc(C)c2Br)CC1 ZINC000412440151 532792544 /nfs/dbraw/zinc/79/25/44/532792544.db2.gz ZMLFTZUMVHNQNU-UHFFFAOYSA-N 1 2 399.329 2.485 20 0 GEADLO O=S1(=O)CCC(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000328605349 532793852 /nfs/dbraw/zinc/79/38/52/532793852.db2.gz JMYIIZAODOLZEP-UHFFFAOYSA-N 1 2 378.325 2.335 20 0 GEADLO O=C([C@H]1CC12CCS(=O)(=O)CC2)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000328664264 532794793 /nfs/dbraw/zinc/79/47/93/532794793.db2.gz BRJJSZOVFJOOHV-HZPDHXFCSA-N 1 2 382.913 2.028 20 0 GEADLO Cc1cc(NC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)nn1C ZINC000554909058 532805733 /nfs/dbraw/zinc/80/57/33/532805733.db2.gz ZICUDTOTQCNUJT-UHFFFAOYSA-N 1 2 391.273 2.811 20 0 GEADLO C[C@@H](c1nncn1C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000287704721 532806767 /nfs/dbraw/zinc/80/67/67/532806767.db2.gz JIZGDKGNGKDWEH-RYUDHWBXSA-N 1 2 393.289 2.384 20 0 GEADLO C[C@@H](c1nncn1C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000287704721 532806768 /nfs/dbraw/zinc/80/67/68/532806768.db2.gz JIZGDKGNGKDWEH-RYUDHWBXSA-N 1 2 393.289 2.384 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)N2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329481851 532806896 /nfs/dbraw/zinc/80/68/96/532806896.db2.gz VZTFVVUUZYWPIK-GOEBONIOSA-N 1 2 377.432 2.169 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)N2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329481851 532806901 /nfs/dbraw/zinc/80/69/01/532806901.db2.gz VZTFVVUUZYWPIK-GOEBONIOSA-N 1 2 377.432 2.169 20 0 GEADLO O=[S@](CC[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)c1ccccc1 ZINC000329456001 532807336 /nfs/dbraw/zinc/80/73/36/532807336.db2.gz NDULNROUGAVDRW-MHECFPHRSA-N 1 2 384.567 2.121 20 0 GEADLO O=[S@](CC[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)c1ccccc1 ZINC000329456001 532807339 /nfs/dbraw/zinc/80/73/39/532807339.db2.gz NDULNROUGAVDRW-MHECFPHRSA-N 1 2 384.567 2.121 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000555680248 532808966 /nfs/dbraw/zinc/80/89/66/532808966.db2.gz HECZGBCVJLXXIC-GJZGRUSLSA-N 1 2 392.297 2.175 20 0 GEADLO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000459681134 532797416 /nfs/dbraw/zinc/79/74/16/532797416.db2.gz DCSCJHXTUNKFMH-QMTHXVAHSA-N 1 2 398.253 2.157 20 0 GEADLO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC000459681134 532797417 /nfs/dbraw/zinc/79/74/17/532797417.db2.gz DCSCJHXTUNKFMH-QMTHXVAHSA-N 1 2 398.253 2.157 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)NCCSc1ccc(Cl)cc1 ZINC000550090088 532797881 /nfs/dbraw/zinc/79/78/81/532797881.db2.gz XSEVFIJKHNSFFC-UHFFFAOYSA-N 1 2 380.901 2.341 20 0 GEADLO CCn1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000328812832 532798136 /nfs/dbraw/zinc/79/81/36/532798136.db2.gz FUNMECSRDDEPKO-CVEARBPZSA-N 1 2 386.880 2.419 20 0 GEADLO CCn1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000328812832 532798139 /nfs/dbraw/zinc/79/81/39/532798139.db2.gz FUNMECSRDDEPKO-CVEARBPZSA-N 1 2 386.880 2.419 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1ccccc1Br ZINC000270463112 532798818 /nfs/dbraw/zinc/79/88/18/532798818.db2.gz KXDXDABFMOTTKY-AWEZNQCLSA-N 1 2 380.242 2.005 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1ccccc1Br ZINC000270463112 532798821 /nfs/dbraw/zinc/79/88/21/532798821.db2.gz KXDXDABFMOTTKY-AWEZNQCLSA-N 1 2 380.242 2.005 20 0 GEADLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(Br)cn3)[nH+]c2c1 ZINC000462195887 532800800 /nfs/dbraw/zinc/80/08/00/532800800.db2.gz WFUJYHDQLRMPPA-UHFFFAOYSA-N 1 2 381.255 2.279 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270664398 532800997 /nfs/dbraw/zinc/80/09/97/532800997.db2.gz RAPWGUKJEGBPEU-IUODEOHRSA-N 1 2 390.908 2.411 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270664398 532801002 /nfs/dbraw/zinc/80/10/02/532801002.db2.gz RAPWGUKJEGBPEU-IUODEOHRSA-N 1 2 390.908 2.411 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2sc(C(F)(F)F)nc2C)CC1 ZINC000462182916 532801271 /nfs/dbraw/zinc/80/12/71/532801271.db2.gz AIVFMEXMMOGIIG-SECBINFHSA-N 1 2 379.404 2.180 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000270815773 532801890 /nfs/dbraw/zinc/80/18/90/532801890.db2.gz XPTMMTZNEJMTHE-MRXNPFEDSA-N 1 2 378.270 2.386 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCCNC(=O)NC1CCCCC1 ZINC000270835443 532802657 /nfs/dbraw/zinc/80/26/57/532802657.db2.gz GUYMURUNSGQDIP-UHFFFAOYSA-N 1 2 396.293 2.170 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CCc3ccn(C)n3)[nH+]c12 ZINC000551951310 532803346 /nfs/dbraw/zinc/80/33/46/532803346.db2.gz OEINLVOFENOVTH-UHFFFAOYSA-N 1 2 390.285 2.430 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2cc(Br)c(OC)s2)CC1 ZINC000271195697 532804629 /nfs/dbraw/zinc/80/46/29/532804629.db2.gz RDLPIKUFPSDBGY-UHFFFAOYSA-N 1 2 383.333 2.033 20 0 GEADLO O=C(CCn1cc(Br)ccc1=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329285413 532804838 /nfs/dbraw/zinc/80/48/38/532804838.db2.gz OHDPRLPLJHWKCJ-ZDUSSCGKSA-N 1 2 379.258 2.478 20 0 GEADLO CCN(C1CC[NH+](Cc2cccc(Br)n2)CC1)S(C)(=O)=O ZINC000272464722 532815767 /nfs/dbraw/zinc/81/57/67/532815767.db2.gz ZDWGAQXURACBPR-UHFFFAOYSA-N 1 2 376.320 2.090 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1cccc(Br)c1 ZINC000288094524 532817041 /nfs/dbraw/zinc/81/70/41/532817041.db2.gz KQXUPQUYARNFKX-BBRMVZONSA-N 1 2 382.302 2.454 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)C[C@@H]1C ZINC000288141118 532818445 /nfs/dbraw/zinc/81/84/45/532818445.db2.gz YVJMDXOOSAOHDQ-RYUDHWBXSA-N 1 2 380.432 2.000 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)C[C@@H]1C ZINC000288141118 532818449 /nfs/dbraw/zinc/81/84/49/532818449.db2.gz YVJMDXOOSAOHDQ-RYUDHWBXSA-N 1 2 380.432 2.000 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000330475037 532819299 /nfs/dbraw/zinc/81/92/99/532819299.db2.gz JGESLBSPFDQGRS-NSHDSACASA-N 1 2 382.860 2.253 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000330475037 532819301 /nfs/dbraw/zinc/81/93/01/532819301.db2.gz JGESLBSPFDQGRS-NSHDSACASA-N 1 2 382.860 2.253 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c1Br ZINC000414052252 532818132 /nfs/dbraw/zinc/81/81/32/532818132.db2.gz PEEGMDXIIXHYNM-UHFFFAOYSA-N 1 2 387.322 2.478 20 0 GEADLO Cn1ncc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c1Br ZINC000273247894 532821556 /nfs/dbraw/zinc/82/15/56/532821556.db2.gz RFOXBMNGIIKOQR-LBPRGKRZSA-N 1 2 387.228 2.494 20 0 GEADLO O=C(C[NH2+]Cc1ncc(Br)cc1Br)NCC1CC1 ZINC000273250951 532821571 /nfs/dbraw/zinc/82/15/71/532821571.db2.gz WDTXUSAZUKXDHH-UHFFFAOYSA-N 1 2 377.080 2.222 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)Cc3cnn(C)c3)[nH+]c12 ZINC000273277939 532821795 /nfs/dbraw/zinc/82/17/95/532821795.db2.gz KKYDJVQRCXFLOE-UHFFFAOYSA-N 1 2 376.258 2.040 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)C[C@H]3COC(=O)C3)[nH+]c12 ZINC000273325931 532822829 /nfs/dbraw/zinc/82/28/29/532822829.db2.gz SSTRTIPGTDYGTA-LLVKDONJSA-N 1 2 380.242 2.017 20 0 GEADLO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1CCCCS1(=O)=O ZINC000273326879 532822852 /nfs/dbraw/zinc/82/28/52/532822852.db2.gz IDMBXOFMGWZNOG-QGZVFWFLSA-N 1 2 382.551 2.450 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CCc3cnn(C)c3)[nH+]c12 ZINC000273328362 532822943 /nfs/dbraw/zinc/82/29/43/532822943.db2.gz TYNXZUJOPANUCV-UHFFFAOYSA-N 1 2 390.285 2.430 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@@H]3CO)[nH+]c12 ZINC000273416972 532823359 /nfs/dbraw/zinc/82/33/59/532823359.db2.gz FWDUZGRPKYQHJJ-CQSZACIVSA-N 1 2 381.274 2.114 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCCn3cc[nH+]c3)nc12 ZINC000273480217 532824987 /nfs/dbraw/zinc/82/49/87/532824987.db2.gz MLKUSYCLVQINOV-UHFFFAOYSA-N 1 2 377.246 2.101 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCC(N4CCNC4=O)CC3)c[nH+]c12 ZINC000273494488 532825066 /nfs/dbraw/zinc/82/50/66/532825066.db2.gz NEOGSWBUKJEZSF-UHFFFAOYSA-N 1 2 392.301 2.395 20 0 GEADLO COC(=O)C[C@H]1CN(Cc2c[nH+]c3c(C)cc(Br)cn23)CCO1 ZINC000273485030 532825211 /nfs/dbraw/zinc/82/52/11/532825211.db2.gz LSZPHCUFUMMALK-AWEZNQCLSA-N 1 2 382.258 2.169 20 0 GEADLO CC(C)CN(C)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000330687298 532825412 /nfs/dbraw/zinc/82/54/12/532825412.db2.gz BVUACXAHGSIYML-IAGOWNOFSA-N 1 2 389.949 2.134 20 0 GEADLO CC(C)CN(C)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000330687298 532825415 /nfs/dbraw/zinc/82/54/15/532825415.db2.gz BVUACXAHGSIYML-IAGOWNOFSA-N 1 2 389.949 2.134 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H]([C@H](C)O)C3)[nH+]c12 ZINC000273582378 532827147 /nfs/dbraw/zinc/82/71/47/532827147.db2.gz PJAZZJGVYJFRKK-QWHCGFSZSA-N 1 2 395.301 2.360 20 0 GEADLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)s1 ZINC000273609977 532828397 /nfs/dbraw/zinc/82/83/97/532828397.db2.gz NPNFTCPBZHVHIA-MRVPVSSYSA-N 1 2 390.437 2.132 20 0 GEADLO CCOCCOc1ccc(S(=O)(=O)Nc2nc(C[NH+](C)C)cs2)cc1 ZINC000414462255 532829021 /nfs/dbraw/zinc/82/90/21/532829021.db2.gz TXPMXHCRHJUHOZ-UHFFFAOYSA-N 1 2 385.511 2.421 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000414565873 532832753 /nfs/dbraw/zinc/83/27/53/532832753.db2.gz ZIYTYQJWWNZDOU-GOEBONIOSA-N 1 2 388.302 2.040 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000414565873 532832756 /nfs/dbraw/zinc/83/27/56/532832756.db2.gz ZIYTYQJWWNZDOU-GOEBONIOSA-N 1 2 388.302 2.040 20 0 GEADLO CC(C)[N@@H+]1CCc2nc(CN3CCS(=O)(=O)C[C@H]3C3CCC3)sc2C1 ZINC000414498360 532831101 /nfs/dbraw/zinc/83/11/01/532831101.db2.gz VQXVDNHEDRFGBU-INIZCTEOSA-N 1 2 383.583 2.309 20 0 GEADLO CC(C)[N@H+]1CCc2nc(CN3CCS(=O)(=O)C[C@H]3C3CCC3)sc2C1 ZINC000414498360 532831102 /nfs/dbraw/zinc/83/11/02/532831102.db2.gz VQXVDNHEDRFGBU-INIZCTEOSA-N 1 2 383.583 2.309 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000331139691 532834322 /nfs/dbraw/zinc/83/43/22/532834322.db2.gz DVBAJHYMLXTUBG-ZYHUDNBSSA-N 1 2 394.324 2.334 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000331139691 532834326 /nfs/dbraw/zinc/83/43/26/532834326.db2.gz DVBAJHYMLXTUBG-ZYHUDNBSSA-N 1 2 394.324 2.334 20 0 GEADLO CCOC(=O)C1(O)CC[NH+](Cc2ccc(OC)c(O)c2Br)CC1 ZINC000273741308 532832938 /nfs/dbraw/zinc/83/29/38/532832938.db2.gz LUTJKZHKCSMWFT-UHFFFAOYSA-N 1 2 388.258 2.053 20 0 GEADLO C[N@H+](CCn1cc(Br)cn1)CCS(=O)(=O)c1ccc(F)cc1 ZINC000288636560 532833413 /nfs/dbraw/zinc/83/34/13/532833413.db2.gz AFTWXCRIEKFFRB-UHFFFAOYSA-N 1 2 390.278 2.190 20 0 GEADLO C[N@@H+](CCn1cc(Br)cn1)CCS(=O)(=O)c1ccc(F)cc1 ZINC000288636560 532833416 /nfs/dbraw/zinc/83/34/16/532833416.db2.gz AFTWXCRIEKFFRB-UHFFFAOYSA-N 1 2 390.278 2.190 20 0 GEADLO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccc(Br)cn1 ZINC000288701320 532835837 /nfs/dbraw/zinc/83/58/37/532835837.db2.gz NSADYSVJVVFGBU-YDHLFZDLSA-N 1 2 397.317 2.410 20 0 GEADLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1ccc(Br)cn1 ZINC000288701318 532835540 /nfs/dbraw/zinc/83/55/40/532835540.db2.gz NSADYSVJVVFGBU-VNHYZAJKSA-N 1 2 397.317 2.410 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCc1nc2cc(Cl)ccc2s1 ZINC000274147209 532842350 /nfs/dbraw/zinc/84/23/50/532842350.db2.gz BKFPUSXDZNOUDN-UHFFFAOYSA-N 1 2 389.930 2.091 20 0 GEADLO C[C@H](C(=O)N1CCCCCC1)S(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000331703430 532842769 /nfs/dbraw/zinc/84/27/69/532842769.db2.gz WKOGIYAMUOKKJA-GFCCVEGCSA-N 1 2 381.420 2.151 20 0 GEADLO Cc1csc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)CC2)n1 ZINC000048008394 206209576 /nfs/dbraw/zinc/20/95/76/206209576.db2.gz VXMBEXBEYWCWLB-CQSZACIVSA-N 1 2 388.493 2.372 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000274241833 532845706 /nfs/dbraw/zinc/84/57/06/532845706.db2.gz XZVOFXBKSIXWKN-OLZOCXBDSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000274241833 532845708 /nfs/dbraw/zinc/84/57/08/532845708.db2.gz XZVOFXBKSIXWKN-OLZOCXBDSA-N 1 2 382.309 2.242 20 0 GEADLO Cn1cnnc1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000274249114 532845920 /nfs/dbraw/zinc/84/59/20/532845920.db2.gz YFPMVYUXLAIJSX-UHFFFAOYSA-N 1 2 375.068 2.212 20 0 GEADLO C[C@@H](O)c1ncc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)s1 ZINC000289102564 532847299 /nfs/dbraw/zinc/84/72/99/532847299.db2.gz MDXTYLCIVHZEJS-LLVKDONJSA-N 1 2 387.552 2.201 20 0 GEADLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1nc(Cl)ccc1Cl ZINC000274313218 532847592 /nfs/dbraw/zinc/84/75/92/532847592.db2.gz MTUDLIITUQACIL-CYBMUJFWSA-N 1 2 375.300 2.371 20 0 GEADLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1nc(Cl)ccc1Cl ZINC000274313218 532847594 /nfs/dbraw/zinc/84/75/94/532847594.db2.gz MTUDLIITUQACIL-CYBMUJFWSA-N 1 2 375.300 2.371 20 0 GEADLO Cc1cc(Br)cc(C)c1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000332020362 532848079 /nfs/dbraw/zinc/84/80/79/532848079.db2.gz QRVIOXYDCJPYBQ-UHFFFAOYSA-N 1 2 391.331 2.067 20 0 GEADLO Cc1cc(Br)cc(C)c1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000332020362 532848086 /nfs/dbraw/zinc/84/80/86/532848086.db2.gz QRVIOXYDCJPYBQ-UHFFFAOYSA-N 1 2 391.331 2.067 20 0 GEADLO CN(C1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1)S(C)(=O)=O ZINC000274346757 532848020 /nfs/dbraw/zinc/84/80/20/532848020.db2.gz QXOIMEZPNXXGAB-UHFFFAOYSA-N 1 2 382.917 2.382 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000332075332 532848303 /nfs/dbraw/zinc/84/83/03/532848303.db2.gz FOSHYTHIHKTGAM-JTQLQIEISA-N 1 2 388.262 2.500 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000289192333 532849293 /nfs/dbraw/zinc/84/92/93/532849293.db2.gz UFMWOOXXJOROJK-DGCLKSJQSA-N 1 2 386.279 2.254 20 0 GEADLO COc1sc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1Br ZINC000289347084 532852683 /nfs/dbraw/zinc/85/26/83/532852683.db2.gz IOPXMKFDBHEDEE-NSHDSACASA-N 1 2 397.360 2.375 20 0 GEADLO COc1sc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1Br ZINC000289347084 532852687 /nfs/dbraw/zinc/85/26/87/532852687.db2.gz IOPXMKFDBHEDEE-NSHDSACASA-N 1 2 397.360 2.375 20 0 GEADLO O=C(c1ccc(Cl)cc1Br)N1CC[NH+](CCn2cncn2)CC1 ZINC000332366171 532853058 /nfs/dbraw/zinc/85/30/58/532853058.db2.gz YNWNBSVGHBHKDL-UHFFFAOYSA-N 1 2 398.692 2.152 20 0 GEADLO CN(C)c1ncnc(Cl)c1C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289450037 532855414 /nfs/dbraw/zinc/85/54/14/532855414.db2.gz KZBLQPDLIHLPNX-SNVBAGLBSA-N 1 2 379.814 2.087 20 0 GEADLO CN(C)c1ncnc(Cl)c1C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289450037 532855417 /nfs/dbraw/zinc/85/54/17/532855417.db2.gz KZBLQPDLIHLPNX-SNVBAGLBSA-N 1 2 379.814 2.087 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000274740784 532855471 /nfs/dbraw/zinc/85/54/71/532855471.db2.gz JDCYYORFHSTVOC-UHFFFAOYSA-N 1 2 383.539 2.275 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000332521465 532856525 /nfs/dbraw/zinc/85/65/25/532856525.db2.gz AGZKEVQMXTVUDK-SWLSCSKDSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000332521465 532856530 /nfs/dbraw/zinc/85/65/30/532856530.db2.gz AGZKEVQMXTVUDK-SWLSCSKDSA-N 1 2 386.901 2.374 20 0 GEADLO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000274871471 532858269 /nfs/dbraw/zinc/85/82/69/532858269.db2.gz DWLYVKKZDOQJGV-GJZGRUSLSA-N 1 2 382.551 2.216 20 0 GEADLO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000274871484 532858543 /nfs/dbraw/zinc/85/85/43/532858543.db2.gz DWLYVKKZDOQJGV-LSDHHAIUSA-N 1 2 382.551 2.216 20 0 GEADLO C[C@H]1C[NH+](CCCCNS(=O)(=O)c2cc(F)c(F)cc2F)C[C@H](C)O1 ZINC000332637350 532859136 /nfs/dbraw/zinc/85/91/36/532859136.db2.gz YMULFZCCGYJILT-RYUDHWBXSA-N 1 2 380.432 2.272 20 0 GEADLO COc1ccc(C[NH2+]Cc2ncc(I)s2)c(OC)n1 ZINC000289580980 532859747 /nfs/dbraw/zinc/85/97/47/532859747.db2.gz MIWCQBDMPZJIAI-UHFFFAOYSA-N 1 2 391.234 2.450 20 0 GEADLO NC(=O)C1CC[NH+](Cc2ncc(Br)cc2Br)CC1 ZINC000274923807 532859549 /nfs/dbraw/zinc/85/95/49/532859549.db2.gz VIVXZFSLLHPOKE-UHFFFAOYSA-N 1 2 377.080 2.304 20 0 GEADLO O=C(NC[C@H]1COCCO1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000332697263 532860891 /nfs/dbraw/zinc/86/08/91/532860891.db2.gz ZTTWUNMRMOXRDO-JKSUJKDBSA-N 1 2 383.286 2.118 20 0 GEADLO O=C(Cn1cccn1)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000416027515 532863301 /nfs/dbraw/zinc/86/33/01/532863301.db2.gz JPFGZCXVESDFDJ-UHFFFAOYSA-N 1 2 389.257 2.361 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N[C@H]1CCCC[C@@H]1O ZINC000333201408 532865830 /nfs/dbraw/zinc/86/58/30/532865830.db2.gz RIGPLLOKBFALAV-JSGCOSHPSA-N 1 2 399.289 2.106 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000333191932 532865814 /nfs/dbraw/zinc/86/58/14/532865814.db2.gz WAGUSJDMMOEBSV-OAHLLOKOSA-N 1 2 385.917 2.087 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000333191932 532865816 /nfs/dbraw/zinc/86/58/16/532865816.db2.gz WAGUSJDMMOEBSV-OAHLLOKOSA-N 1 2 385.917 2.087 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N[C@H]1CCCC[C@H]1O ZINC000333201407 532865925 /nfs/dbraw/zinc/86/59/25/532865925.db2.gz RIGPLLOKBFALAV-GXTWGEPZSA-N 1 2 399.289 2.106 20 0 GEADLO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000333343040 532867164 /nfs/dbraw/zinc/86/71/64/532867164.db2.gz UBCHKXJDBUEXGL-GFCCVEGCSA-N 1 2 392.253 2.296 20 0 GEADLO C[C@@H]1C[C@H](C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000333568496 532871094 /nfs/dbraw/zinc/87/10/94/532871094.db2.gz XQGGHXZKSBAZRH-VXGBXAGGSA-N 1 2 384.274 2.434 20 0 GEADLO COc1cc(OC)c(S(=O)(=O)NCc2ccc(N(C)C)[nH+]c2)cc1Cl ZINC000416365954 532871818 /nfs/dbraw/zinc/87/18/18/532871818.db2.gz CAVZYXZIXFQRSP-UHFFFAOYSA-N 1 2 385.873 2.297 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000333725492 532872591 /nfs/dbraw/zinc/87/25/91/532872591.db2.gz KHUNKUFHHMBLMO-GFCCVEGCSA-N 1 2 395.301 2.266 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)c(F)cc1Br ZINC000416378496 532873779 /nfs/dbraw/zinc/87/37/79/532873779.db2.gz XNRANQRMWLHTDO-JTQLQIEISA-N 1 2 376.251 2.460 20 0 GEADLO CSc1nnc(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)s1 ZINC000275459043 532876809 /nfs/dbraw/zinc/87/68/09/532876809.db2.gz UZCPWWAWWBBQME-UHFFFAOYSA-N 1 2 384.556 2.134 20 0 GEADLO CSc1nnc(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)s1 ZINC000275459043 532876811 /nfs/dbraw/zinc/87/68/11/532876811.db2.gz UZCPWWAWWBBQME-UHFFFAOYSA-N 1 2 384.556 2.134 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CCc1ccc(F)c(Br)c1 ZINC000348428858 532878580 /nfs/dbraw/zinc/87/85/80/532878580.db2.gz VELMIAZCCGUMEB-ZDUSSCGKSA-N 1 2 381.205 2.017 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CCc1ccc(F)c(Br)c1 ZINC000348428858 532878582 /nfs/dbraw/zinc/87/85/82/532878582.db2.gz VELMIAZCCGUMEB-ZDUSSCGKSA-N 1 2 381.205 2.017 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000348444706 532879047 /nfs/dbraw/zinc/87/90/47/532879047.db2.gz OOEPAHMDXZQODI-RDBSUJKOSA-N 1 2 375.226 2.191 20 0 GEADLO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000275578579 532879049 /nfs/dbraw/zinc/87/90/49/532879049.db2.gz DGWXBSKGSJIGHN-UHFFFAOYSA-N 1 2 383.221 2.227 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000348444706 532879050 /nfs/dbraw/zinc/87/90/50/532879050.db2.gz OOEPAHMDXZQODI-RDBSUJKOSA-N 1 2 375.226 2.191 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2nc(Cl)ccc2Cl)C1 ZINC000275717384 532882206 /nfs/dbraw/zinc/88/22/06/532882206.db2.gz OKMSRUXNCGBHAI-SNVBAGLBSA-N 1 2 381.267 2.107 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2nc(Cl)ccc2Cl)C1 ZINC000275717384 532882208 /nfs/dbraw/zinc/88/22/08/532882208.db2.gz OKMSRUXNCGBHAI-SNVBAGLBSA-N 1 2 381.267 2.107 20 0 GEADLO C[C@H](NC(=O)C(=O)NCCc1cn(C)c[nH+]1)c1cc(F)c(Cl)cc1Cl ZINC000420851030 532886486 /nfs/dbraw/zinc/88/64/86/532886486.db2.gz VWXZBFSECKBYFW-VIFPVBQESA-N 1 2 387.242 2.402 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(F)cc(Br)c3)C2)nn1 ZINC000359974851 532888989 /nfs/dbraw/zinc/88/89/89/532888989.db2.gz PLKLDUGMAQADIX-CYBMUJFWSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(F)cc(Br)c3)C2)nn1 ZINC000359974851 532888992 /nfs/dbraw/zinc/88/89/92/532888992.db2.gz PLKLDUGMAQADIX-CYBMUJFWSA-N 1 2 383.221 2.413 20 0 GEADLO COc1cc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)ccc1F ZINC000276273282 532892463 /nfs/dbraw/zinc/89/24/63/532892463.db2.gz WGZVMJOSICPBGP-UHFFFAOYSA-N 1 2 381.351 2.414 20 0 GEADLO O=C1C[C@@H]([NH2+]Cc2c(Br)cncc2Br)CN1C1CC1 ZINC000290929373 532892569 /nfs/dbraw/zinc/89/25/69/532892569.db2.gz RTIFCEQPYBMGHS-MRVPVSSYSA-N 1 2 389.091 2.460 20 0 GEADLO Nc1cc2c(nn1)CC[N@@H+]([C@@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000360756768 532890364 /nfs/dbraw/zinc/89/03/64/532890364.db2.gz RLUBAHWSCNZWIE-OAHLLOKOSA-N 1 2 378.263 2.529 20 0 GEADLO Nc1cc2c(nn1)CC[N@H+]([C@@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000360756768 532890367 /nfs/dbraw/zinc/89/03/67/532890367.db2.gz RLUBAHWSCNZWIE-OAHLLOKOSA-N 1 2 378.263 2.529 20 0 GEADLO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1ccncc1Cl ZINC000421846438 532890739 /nfs/dbraw/zinc/89/07/39/532890739.db2.gz SOHDMEACXONNEF-CYBMUJFWSA-N 1 2 383.901 2.199 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)[C@H]1SCCc2sccc21 ZINC000361305455 532893170 /nfs/dbraw/zinc/89/31/70/532893170.db2.gz YBAWJFCJYINZPY-WMZOPIPTSA-N 1 2 382.551 2.076 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NOC[C@H]3CCOC3)[nH+]c12 ZINC000276353198 532894467 /nfs/dbraw/zinc/89/44/67/532894467.db2.gz WZROUNYULMBPIJ-NSHDSACASA-N 1 2 383.246 2.173 20 0 GEADLO [NH3+][C@@H](C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)c1cscn1 ZINC000423066616 532892898 /nfs/dbraw/zinc/89/28/98/532892898.db2.gz XNOYDRSFSDJXRK-CQSZACIVSA-N 1 2 399.303 2.434 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)[C@@H]1SCCc2sccc21 ZINC000361305434 532892939 /nfs/dbraw/zinc/89/29/39/532892939.db2.gz YBAWJFCJYINZPY-AEFFLSMTSA-N 1 2 382.551 2.076 20 0 GEADLO Cc1csc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1Cl ZINC000276529725 532897610 /nfs/dbraw/zinc/89/76/10/532897610.db2.gz GQXNJMGYEWVVEO-UHFFFAOYSA-N 1 2 376.873 2.349 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000291199917 532897966 /nfs/dbraw/zinc/89/79/66/532897966.db2.gz LFDZRSUGEONBNO-QFIPXVFZSA-N 1 2 384.299 2.387 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000363537072 532899457 /nfs/dbraw/zinc/89/94/57/532899457.db2.gz UYRYCFDQOQXJQA-INIZCTEOSA-N 1 2 381.523 2.332 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000363537072 532899458 /nfs/dbraw/zinc/89/94/58/532899458.db2.gz UYRYCFDQOQXJQA-INIZCTEOSA-N 1 2 381.523 2.332 20 0 GEADLO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(Br)cn1 ZINC000291281934 532899645 /nfs/dbraw/zinc/89/96/45/532899645.db2.gz AVUXGHXRZXZXCQ-HIFRSBDPSA-N 1 2 397.317 2.411 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cc(F)c(Br)cc1F)CC2 ZINC000363692144 532900157 /nfs/dbraw/zinc/90/01/57/532900157.db2.gz PFDOIUALIZFMFG-UHFFFAOYSA-N 1 2 399.195 2.213 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1 ZINC000363659634 532900315 /nfs/dbraw/zinc/90/03/15/532900315.db2.gz JSBNEQLEAWUPMS-UHFFFAOYSA-N 1 2 384.307 2.435 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1 ZINC000363659634 532900318 /nfs/dbraw/zinc/90/03/18/532900318.db2.gz JSBNEQLEAWUPMS-UHFFFAOYSA-N 1 2 384.307 2.435 20 0 GEADLO O=C(N1CC[NH+]([C@H]2CCOC2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000363942205 532902234 /nfs/dbraw/zinc/90/22/34/532902234.db2.gz UBENDFHPXYBPJJ-INIZCTEOSA-N 1 2 379.298 2.414 20 0 GEADLO O=S(=O)(c1cnc2ccsc2c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000364128982 532903894 /nfs/dbraw/zinc/90/38/94/532903894.db2.gz VEVCSJZHMGUWHS-CQSZACIVSA-N 1 2 381.523 2.172 20 0 GEADLO COCCC[N@H+](CCO)Cc1c(Br)cncc1Br ZINC000291700840 532907474 /nfs/dbraw/zinc/90/74/74/532907474.db2.gz YZCYAGVGCMTHMT-UHFFFAOYSA-N 1 2 382.096 2.437 20 0 GEADLO COCCC[N@@H+](CCO)Cc1c(Br)cncc1Br ZINC000291700840 532907475 /nfs/dbraw/zinc/90/74/75/532907475.db2.gz YZCYAGVGCMTHMT-UHFFFAOYSA-N 1 2 382.096 2.437 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)c1cccc(Br)c1 ZINC000291876448 532909927 /nfs/dbraw/zinc/90/99/27/532909927.db2.gz IMXIWALXHUOYFB-YGRLFVJLSA-N 1 2 380.242 2.176 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)c1cccc(Br)c1 ZINC000291876448 532909928 /nfs/dbraw/zinc/90/99/28/532909928.db2.gz IMXIWALXHUOYFB-YGRLFVJLSA-N 1 2 380.242 2.176 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000291745303 532908061 /nfs/dbraw/zinc/90/80/61/532908061.db2.gz SEGCOLOSMUCHLA-LLVKDONJSA-N 1 2 384.445 2.110 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000365027776 532908672 /nfs/dbraw/zinc/90/86/72/532908672.db2.gz MLKCLPXEUHUAQR-GFCCVEGCSA-N 1 2 382.251 2.332 20 0 GEADLO O=C(NC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)[C@@H]1CSCCS1 ZINC000365229680 532908853 /nfs/dbraw/zinc/90/88/53/532908853.db2.gz WIOHSJZXBKLTNY-INIZCTEOSA-N 1 2 376.551 2.492 20 0 GEADLO O=C(NCc1cc(F)cc(Br)c1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366256361 532915501 /nfs/dbraw/zinc/91/55/01/532915501.db2.gz OTUXWHZOEWOEIV-OAHLLOKOSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(NCc1cc(F)cc(Br)c1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366256361 532915502 /nfs/dbraw/zinc/91/55/02/532915502.db2.gz OTUXWHZOEWOEIV-OAHLLOKOSA-N 1 2 386.265 2.251 20 0 GEADLO COC(=O)[C@H]1C[C@H](NC(=O)CCCCOc2ccc(Br)cc2)C[NH2+]1 ZINC000365963693 532913350 /nfs/dbraw/zinc/91/33/50/532913350.db2.gz GLXZDBANWWAXPR-DZGCQCFKSA-N 1 2 399.285 2.018 20 0 GEADLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1sc(S(N)(=O)=O)cc1C ZINC000366663788 532920012 /nfs/dbraw/zinc/92/00/12/532920012.db2.gz NLPJIJAJDUSQIX-LBPRGKRZSA-N 1 2 382.511 2.288 20 0 GEADLO OCc1cn([C@@H]2CCC[N@H+](Cc3cc4c(cc3Br)OCO4)C2)nn1 ZINC000292928801 532920146 /nfs/dbraw/zinc/92/01/46/532920146.db2.gz IVENTHZEHOMDKU-CYBMUJFWSA-N 1 2 395.257 2.099 20 0 GEADLO OCc1cn([C@@H]2CCC[N@@H+](Cc3cc4c(cc3Br)OCO4)C2)nn1 ZINC000292928801 532920147 /nfs/dbraw/zinc/92/01/47/532920147.db2.gz IVENTHZEHOMDKU-CYBMUJFWSA-N 1 2 395.257 2.099 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@H]2N1 ZINC000366762113 532921048 /nfs/dbraw/zinc/92/10/48/532921048.db2.gz WIOCNRDEEJBVLN-KGLIPLIRSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@H]2N1 ZINC000366762113 532921050 /nfs/dbraw/zinc/92/10/50/532921050.db2.gz WIOCNRDEEJBVLN-KGLIPLIRSA-N 1 2 392.253 2.193 20 0 GEADLO Cn1cc(Br)c(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)n1 ZINC000293029596 532921253 /nfs/dbraw/zinc/92/12/53/532921253.db2.gz VZWVAKBYERCVRN-QGZVFWFLSA-N 1 2 379.302 2.346 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000367198188 532923460 /nfs/dbraw/zinc/92/34/60/532923460.db2.gz ZGPLMLOOVBUHJL-QGZVFWFLSA-N 1 2 394.313 2.310 20 0 GEADLO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cn1 ZINC000367684502 532926423 /nfs/dbraw/zinc/92/64/23/532926423.db2.gz FVIKXITVLDHVPS-ZDUSSCGKSA-N 1 2 393.271 2.201 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1O ZINC000293538791 532928640 /nfs/dbraw/zinc/92/86/40/532928640.db2.gz CQAOCCCSSBEYSB-ZDUSSCGKSA-N 1 2 397.273 2.084 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1O ZINC000293538791 532928641 /nfs/dbraw/zinc/92/86/41/532928641.db2.gz CQAOCCCSSBEYSB-ZDUSSCGKSA-N 1 2 397.273 2.084 20 0 GEADLO O=C1[C@@H]([N@@H+]2CCO[C@]3(CCCOC3)C2)CCN1c1cccc(Br)c1 ZINC000367513229 532925753 /nfs/dbraw/zinc/92/57/53/532925753.db2.gz KASFYJVWCLPQFF-FUHWJXTLSA-N 1 2 395.297 2.436 20 0 GEADLO O=C1[C@@H]([N@H+]2CCO[C@]3(CCCOC3)C2)CCN1c1cccc(Br)c1 ZINC000367513229 532925755 /nfs/dbraw/zinc/92/57/55/532925755.db2.gz KASFYJVWCLPQFF-FUHWJXTLSA-N 1 2 395.297 2.436 20 0 GEADLO CC[C@@H]1CN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C[C@@H](C)[S@@]1=O ZINC000368551656 532933359 /nfs/dbraw/zinc/93/33/59/532933359.db2.gz RIELZJPNVALMDP-URHRGWDJSA-N 1 2 383.583 2.422 20 0 GEADLO C[C@H]1[C@@H]([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CCS1(=O)=O ZINC000293985357 532934161 /nfs/dbraw/zinc/93/41/61/532934161.db2.gz RPAZFVQGABEMMN-CABZTGNLSA-N 1 2 375.281 2.239 20 0 GEADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000368976331 532936182 /nfs/dbraw/zinc/93/61/82/532936182.db2.gz VNMPNNHKOOTFIW-ZETOZRRWSA-N 1 2 376.507 2.396 20 0 GEADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000368976331 532936184 /nfs/dbraw/zinc/93/61/84/532936184.db2.gz VNMPNNHKOOTFIW-ZETOZRRWSA-N 1 2 376.507 2.396 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369321859 532938280 /nfs/dbraw/zinc/93/82/80/532938280.db2.gz NJDPAWXPARBOEG-HNNXBMFYSA-N 1 2 387.864 2.478 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000369350604 532938639 /nfs/dbraw/zinc/93/86/39/532938639.db2.gz VHJDWYOWUWNHLB-GFCCVEGCSA-N 1 2 379.873 2.290 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCS(=O)(=O)C2)[C@H]1c1cccc(Cl)c1 ZINC000369357030 532939135 /nfs/dbraw/zinc/93/91/35/532939135.db2.gz DHDBFBUJHPOLCC-JCKWVBRZSA-N 1 2 384.929 2.274 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CCS(=O)(=O)C2)[C@H]1c1cccc(Cl)c1 ZINC000369357030 532939136 /nfs/dbraw/zinc/93/91/36/532939136.db2.gz DHDBFBUJHPOLCC-JCKWVBRZSA-N 1 2 384.929 2.274 20 0 GEADLO C[C@@H](CNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)C[NH+](C)C ZINC000294439428 532939331 /nfs/dbraw/zinc/93/93/31/532939331.db2.gz ZANSYBYAGZIFML-ZDUSSCGKSA-N 1 2 381.523 2.476 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000370158558 532942396 /nfs/dbraw/zinc/94/23/96/532942396.db2.gz GCIOABCGEVMRCO-UHFFFAOYSA-N 1 2 378.416 2.427 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000370158558 532942397 /nfs/dbraw/zinc/94/23/97/532942397.db2.gz GCIOABCGEVMRCO-UHFFFAOYSA-N 1 2 378.416 2.427 20 0 GEADLO COc1c(Br)cc(Br)cc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000370384447 532943272 /nfs/dbraw/zinc/94/32/72/532943272.db2.gz DDBZBPWLANGZLV-GHMZBOCLSA-N 1 2 395.091 2.148 20 0 GEADLO COc1c(Br)cc(Br)cc1C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000370384447 532943273 /nfs/dbraw/zinc/94/32/73/532943273.db2.gz DDBZBPWLANGZLV-GHMZBOCLSA-N 1 2 395.091 2.148 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)[C@H]3SCCc4sccc43)CC2)CCCC1 ZINC000369728023 532940691 /nfs/dbraw/zinc/94/06/91/532940691.db2.gz USUFDJXCSXBQEA-HNNXBMFYSA-N 1 2 379.551 2.021 20 0 GEADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000369962579 532941499 /nfs/dbraw/zinc/94/14/99/532941499.db2.gz NWERXLQZJFOJIP-IVMMDQJWSA-N 1 2 394.313 2.308 20 0 GEADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000369962579 532941500 /nfs/dbraw/zinc/94/15/00/532941500.db2.gz NWERXLQZJFOJIP-IVMMDQJWSA-N 1 2 394.313 2.308 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)cc1)N1CCCC1 ZINC000370822875 532945507 /nfs/dbraw/zinc/94/55/07/532945507.db2.gz CSLGWIZZUSNPAT-HNNXBMFYSA-N 1 2 380.286 2.474 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)cc1)N1CCCC1 ZINC000370822875 532945508 /nfs/dbraw/zinc/94/55/08/532945508.db2.gz CSLGWIZZUSNPAT-HNNXBMFYSA-N 1 2 380.286 2.474 20 0 GEADLO COC(=O)c1ccc(CN2CC[C@@H]([NH+]3CCOCC3)C2)c(Br)c1 ZINC000370608914 532944455 /nfs/dbraw/zinc/94/44/55/532944455.db2.gz RSPBNUGFBCJKPZ-OAHLLOKOSA-N 1 2 383.286 2.142 20 0 GEADLO O=C(NCCc1ccc(Cl)s1)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000370607361 532944502 /nfs/dbraw/zinc/94/45/02/532944502.db2.gz AZYKUBWFVGMNAH-KRWDZBQOSA-N 1 2 387.933 2.125 20 0 GEADLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000370591761 532944510 /nfs/dbraw/zinc/94/45/10/532944510.db2.gz BDMLOHUEBQETTE-UONOGXRCSA-N 1 2 385.555 2.091 20 0 GEADLO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000370591761 532944511 /nfs/dbraw/zinc/94/45/11/532944511.db2.gz BDMLOHUEBQETTE-UONOGXRCSA-N 1 2 385.555 2.091 20 0 GEADLO C[C@@H](NC(=O)[C@]1([NH+](C)C)CCCSC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000371199873 532947280 /nfs/dbraw/zinc/94/72/80/532947280.db2.gz XNYGAYJAPNLHJH-PXAZEXFGSA-N 1 2 388.530 2.234 20 0 GEADLO CSCc1noc(CCC(=O)NC2CC[NH+](Cc3cscn3)CC2)n1 ZINC000371230798 532947320 /nfs/dbraw/zinc/94/73/20/532947320.db2.gz NFBSEAFPKVBAKV-UHFFFAOYSA-N 1 2 381.527 2.103 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H]2c2cccc(Br)c2)CC1 ZINC000371711876 532949336 /nfs/dbraw/zinc/94/93/36/532949336.db2.gz WTUZRPQIZGMSDY-DYVFJYSZSA-N 1 2 394.313 2.275 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H]2c2cccc(Br)c2)CC1 ZINC000371711876 532949337 /nfs/dbraw/zinc/94/93/37/532949337.db2.gz WTUZRPQIZGMSDY-DYVFJYSZSA-N 1 2 394.313 2.275 20 0 GEADLO O=C(c1cnn2cccnc12)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275398393 570692276 /nfs/dbraw/zinc/69/22/76/570692276.db2.gz AZGACVZJGDVZKF-OAHLLOKOSA-N 1 2 378.436 2.018 20 0 GEADLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000738207352 598899646 /nfs/dbraw/zinc/89/96/46/598899646.db2.gz HIRSNKXFLULLAY-CQSZACIVSA-N 1 2 394.464 2.179 20 0 GEADLO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000738207352 598899647 /nfs/dbraw/zinc/89/96/47/598899647.db2.gz HIRSNKXFLULLAY-CQSZACIVSA-N 1 2 394.464 2.179 20 0 GEADLO Fc1ccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c(-c2nn[nH]n2)c1 ZINC000737647469 598917767 /nfs/dbraw/zinc/91/77/67/598917767.db2.gz DUHOHAWKDWOXSC-UHFFFAOYSA-N 1 2 376.333 2.024 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=S)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736203844 598925678 /nfs/dbraw/zinc/92/56/78/598925678.db2.gz OKUCZNPMOBSLEX-CQSZACIVSA-N 1 2 394.508 2.337 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000737291473 598966948 /nfs/dbraw/zinc/96/69/48/598966948.db2.gz MJJSTEDQGQYKJI-HNNXBMFYSA-N 1 2 392.467 2.481 20 0 GEADLO COc1ccc2ccccc2c1C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737120655 599089059 /nfs/dbraw/zinc/08/90/59/599089059.db2.gz QIMLJYALCKKVQJ-IBGZPJMESA-N 1 2 388.431 2.345 20 0 GEADLO NC(=O)[C@@H]([NH2+]Cc1cc(Br)cs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737395 599092836 /nfs/dbraw/zinc/09/28/36/599092836.db2.gz QNGMHFQTBGFZKN-LBPRGKRZSA-N 1 2 393.270 2.007 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000737411365 599122698 /nfs/dbraw/zinc/12/26/98/599122698.db2.gz WYMURWCYRWMVPM-HNNXBMFYSA-N 1 2 391.479 2.466 20 0 GEADLO C[C@@H]1C[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)OC(C)(C)C ZINC000736285915 599141143 /nfs/dbraw/zinc/14/11/43/599141143.db2.gz KXLGBTKXSPTESM-CQSZACIVSA-N 1 2 388.472 2.187 20 0 GEADLO C[C@@H]1C[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)OC(C)(C)C ZINC000736285915 599141145 /nfs/dbraw/zinc/14/11/45/599141145.db2.gz KXLGBTKXSPTESM-CQSZACIVSA-N 1 2 388.472 2.187 20 0 GEADLO C[N@@H+](CCOc1ccc(F)cc1)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000736802933 599178393 /nfs/dbraw/zinc/17/83/93/599178393.db2.gz YKAZBGMNVXICRV-UHFFFAOYSA-N 1 2 376.417 2.017 20 0 GEADLO C[N@H+](CCOc1ccc(F)cc1)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000736802933 599178390 /nfs/dbraw/zinc/17/83/90/599178390.db2.gz YKAZBGMNVXICRV-UHFFFAOYSA-N 1 2 376.417 2.017 20 0 GEADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1sccc1-c1nn[nH]n1)c1ccccc1 ZINC000822699317 599202861 /nfs/dbraw/zinc/20/28/61/599202861.db2.gz VUMPCTLPYJMJNW-CQSZACIVSA-N 1 2 379.449 2.376 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN(CC(F)(F)F)CC1 ZINC000737411421 599262580 /nfs/dbraw/zinc/26/25/80/599262580.db2.gz XZQQRBKIVSFDDN-UHFFFAOYSA-N 1 2 377.374 2.408 20 0 GEADLO O=C(c1ccco1)N1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000738286577 599265433 /nfs/dbraw/zinc/26/54/33/599265433.db2.gz QSIIXIBWRPFLKZ-UHFFFAOYSA-N 1 2 389.419 2.147 20 0 GEADLO CCCC[N@H+](C)c1ccc(NC[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000821061661 607317025 /nfs/dbraw/zinc/31/70/25/607317025.db2.gz RXLIZORIYRDHDW-CQSZACIVSA-N 1 2 381.488 2.453 20 0 GEADLO CCCC[N@@H+](C)c1ccc(NC[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000821061661 607317026 /nfs/dbraw/zinc/31/70/26/607317026.db2.gz RXLIZORIYRDHDW-CQSZACIVSA-N 1 2 381.488 2.453 20 0 GEADLO O=C(C[N@@H+]1CCS[C@@H](c2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737884672 599272396 /nfs/dbraw/zinc/27/23/96/599272396.db2.gz PVDWBBWDDMRTQC-GOSISDBHSA-N 1 2 394.504 2.273 20 0 GEADLO O=C(C[N@H+]1CCS[C@@H](c2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737884672 599272397 /nfs/dbraw/zinc/27/23/97/599272397.db2.gz PVDWBBWDDMRTQC-GOSISDBHSA-N 1 2 394.504 2.273 20 0 GEADLO O=C(CSCc1ccc(-c2nn[nH]n2)cc1)OCc1cccc2[nH+]ccn21 ZINC000823060407 607322223 /nfs/dbraw/zinc/32/22/23/607322223.db2.gz AOUBBNNHSDUCSP-UHFFFAOYSA-N 1 2 380.433 2.491 20 0 GEADLO C[NH+]1CCN(Cc2ccc(CNc3cccc(F)c3-c3nn[nH]n3)cc2)CC1 ZINC000736864130 598238187 /nfs/dbraw/zinc/23/81/87/598238187.db2.gz PKKMPAJJMKWHDH-UHFFFAOYSA-N 1 2 381.459 2.365 20 0 GEADLO CN1CC[NH+](Cc2ccc(CNc3cccc(F)c3-c3nn[nH]n3)cc2)CC1 ZINC000736864130 598238188 /nfs/dbraw/zinc/23/81/88/598238188.db2.gz PKKMPAJJMKWHDH-UHFFFAOYSA-N 1 2 381.459 2.365 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735560274 598252605 /nfs/dbraw/zinc/25/26/05/598252605.db2.gz DHIGPRQAXHWNSN-OAHLLOKOSA-N 1 2 377.452 2.016 20 0 GEADLO CCN(C(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)C1CCCCC1 ZINC000736505827 598252905 /nfs/dbraw/zinc/25/29/05/598252905.db2.gz SKWOQDBFLKFOPA-UHFFFAOYSA-N 1 2 397.527 2.170 20 0 GEADLO CCCCCC[C@H](C)NC(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736444972 598253299 /nfs/dbraw/zinc/25/32/99/598253299.db2.gz IONKJJISAGWIPB-KRWDZBQOSA-N 1 2 399.543 2.464 20 0 GEADLO CC(C)COC(=O)N1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000735838181 598254722 /nfs/dbraw/zinc/25/47/22/598254722.db2.gz DFRUGSYGYCQGCC-UHFFFAOYSA-N 1 2 376.436 2.306 20 0 GEADLO CC(C)COC(=O)N1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000735838181 598254723 /nfs/dbraw/zinc/25/47/23/598254723.db2.gz DFRUGSYGYCQGCC-UHFFFAOYSA-N 1 2 376.436 2.306 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000735565007 598257466 /nfs/dbraw/zinc/25/74/66/598257466.db2.gz ZZDZGXNSMMPIEG-LIRRHRJNSA-N 1 2 392.463 2.440 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000735565007 598257467 /nfs/dbraw/zinc/25/74/67/598257467.db2.gz ZZDZGXNSMMPIEG-LIRRHRJNSA-N 1 2 392.463 2.440 20 0 GEADLO CC(C)c1nc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000735938846 598329790 /nfs/dbraw/zinc/32/97/90/598329790.db2.gz DUHKXCXBMSNWFP-UHFFFAOYSA-N 1 2 397.508 2.405 20 0 GEADLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000737194292 598430689 /nfs/dbraw/zinc/43/06/89/598430689.db2.gz HOIWMYSPAAIQLF-MRXNPFEDSA-N 1 2 391.479 2.455 20 0 GEADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736291129 598460132 /nfs/dbraw/zinc/46/01/32/598460132.db2.gz DEWAIWVKGMNYJJ-MOXGXCLJSA-N 1 2 395.463 2.068 20 0 GEADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736291129 598460134 /nfs/dbraw/zinc/46/01/34/598460134.db2.gz DEWAIWVKGMNYJJ-MOXGXCLJSA-N 1 2 395.463 2.068 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737844944 598461176 /nfs/dbraw/zinc/46/11/76/598461176.db2.gz XDDTUGNGVPYJQE-SFHVURJKSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737844944 598461177 /nfs/dbraw/zinc/46/11/77/598461177.db2.gz XDDTUGNGVPYJQE-SFHVURJKSA-N 1 2 396.426 2.408 20 0 GEADLO CSC[C@@H](C)C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000737179549 598553279 /nfs/dbraw/zinc/55/32/79/598553279.db2.gz LPMKDTAJZPVHSK-CYBMUJFWSA-N 1 2 397.508 2.063 20 0 GEADLO CC(C)[C@@H](C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000736288314 598597527 /nfs/dbraw/zinc/59/75/27/598597527.db2.gz AJIIUHBRGITLNZ-HSMVNMDESA-N 1 2 376.436 2.078 20 0 GEADLO Cc1ccc(C[N@@H+](C)[C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000737339836 598617940 /nfs/dbraw/zinc/61/79/40/598617940.db2.gz CGJJUNCUKBXWJB-OAHLLOKOSA-N 1 2 382.449 2.001 20 0 GEADLO Cc1ccc(C[N@H+](C)[C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000737339836 598617942 /nfs/dbraw/zinc/61/79/42/598617942.db2.gz CGJJUNCUKBXWJB-OAHLLOKOSA-N 1 2 382.449 2.001 20 0 GEADLO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000738163153 598632844 /nfs/dbraw/zinc/63/28/44/598632844.db2.gz OWLQRTRCTXENRG-UHFFFAOYSA-N 1 2 387.444 2.417 20 0 GEADLO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000737833673 598688883 /nfs/dbraw/zinc/68/88/83/598688883.db2.gz ZXEWEHWNLMDSDH-KRWDZBQOSA-N 1 2 395.467 2.476 20 0 GEADLO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000737194116 598707986 /nfs/dbraw/zinc/70/79/86/598707986.db2.gz BURZPVIESKGOOX-QGZVFWFLSA-N 1 2 378.480 2.452 20 0 GEADLO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000737194116 598707988 /nfs/dbraw/zinc/70/79/88/598707988.db2.gz BURZPVIESKGOOX-QGZVFWFLSA-N 1 2 378.480 2.452 20 0 GEADLO FC(F)(F)c1ccn(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000737639339 598723094 /nfs/dbraw/zinc/72/30/94/598723094.db2.gz RDMLZSDTUPCEMB-UHFFFAOYSA-N 1 2 392.389 2.252 20 0 GEADLO FC(F)(F)c1ccn(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000737639339 598723095 /nfs/dbraw/zinc/72/30/95/598723095.db2.gz RDMLZSDTUPCEMB-UHFFFAOYSA-N 1 2 392.389 2.252 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736039751 598756918 /nfs/dbraw/zinc/75/69/18/598756918.db2.gz LEJSRPPNPSEPMC-CQSZACIVSA-N 1 2 385.493 2.399 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736039751 598756919 /nfs/dbraw/zinc/75/69/19/598756919.db2.gz LEJSRPPNPSEPMC-CQSZACIVSA-N 1 2 385.493 2.399 20 0 GEADLO CCC[C@@H]1CC(=O)N(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000821034396 599328873 /nfs/dbraw/zinc/32/88/73/599328873.db2.gz LPHKJPJLYPTBTK-OAHLLOKOSA-N 1 2 384.484 2.316 20 0 GEADLO Cc1ccccc1C(N)=[NH+]OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822351944 599383048 /nfs/dbraw/zinc/38/30/48/599383048.db2.gz RVKDWRLCSDIPHQ-UHFFFAOYSA-N 1 2 376.380 2.272 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000737058423 599385055 /nfs/dbraw/zinc/38/50/55/599385055.db2.gz LMYNFTYYNGIAMJ-ZDUSSCGKSA-N 1 2 378.436 2.261 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000737058423 599385057 /nfs/dbraw/zinc/38/50/57/599385057.db2.gz LMYNFTYYNGIAMJ-ZDUSSCGKSA-N 1 2 378.436 2.261 20 0 GEADLO COc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821803224 599401303 /nfs/dbraw/zinc/40/13/03/599401303.db2.gz DLYMBOJWFHQFGR-GOSISDBHSA-N 1 2 375.436 2.488 20 0 GEADLO COc1cc(OC)c(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)c(OC)c1 ZINC000821724768 599482972 /nfs/dbraw/zinc/48/29/72/599482972.db2.gz XMNJMAVJYIXEGF-UHFFFAOYSA-N 1 2 392.419 2.475 20 0 GEADLO CCCNC(=O)[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)C1 ZINC000821113662 599505089 /nfs/dbraw/zinc/50/50/89/599505089.db2.gz BQORCVDVKPYNAQ-AWEZNQCLSA-N 1 2 379.468 2.466 20 0 GEADLO CNc1cc(N2CCC[C@@H]2CNc2ccc(Cl)cc2-c2nn[nH]n2)nc[nH+]1 ZINC000821637423 599531962 /nfs/dbraw/zinc/53/19/62/599531962.db2.gz FSHDTFYEMOLOAG-GFCCVEGCSA-N 1 2 385.863 2.433 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N(C)CC(=O)NCc1ccccc1 ZINC000822331612 599566447 /nfs/dbraw/zinc/56/64/47/599566447.db2.gz ICOLRTCCSHCTBT-UHFFFAOYSA-N 1 2 387.447 2.476 20 0 GEADLO FC(F)(F)c1nnc2n1CCN(c1c(-c3nn[nH]n3)c[nH+]c3ccccc31)C2 ZINC000822729253 599569617 /nfs/dbraw/zinc/56/96/17/599569617.db2.gz YCZRSDDKFQARBG-UHFFFAOYSA-N 1 2 387.329 2.045 20 0 GEADLO Cc1[nH+]c2n(c1C)CCN(C(=O)c1c(C)oc(-n3cccc3)c1-c1nn[nH]n1)C2 ZINC000737490302 599572528 /nfs/dbraw/zinc/57/25/28/599572528.db2.gz SLVAGBWLVSHGAB-UHFFFAOYSA-N 1 2 392.423 2.028 20 0 GEADLO C[NH+]1CCN(C[C@H]2C[N@H+](Cc3c4ccccc4sc3C(=O)[O-])CCO2)CC1 ZINC000737526698 599970741 /nfs/dbraw/zinc/97/07/41/599970741.db2.gz WTDNHJOOLLSLMO-HNNXBMFYSA-N 1 2 389.521 2.048 20 0 GEADLO C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3c4ccccc4sc3C(=O)[O-])CCO2)CC1 ZINC000737526698 599970742 /nfs/dbraw/zinc/97/07/42/599970742.db2.gz WTDNHJOOLLSLMO-HNNXBMFYSA-N 1 2 389.521 2.048 20 0 GEADLO O=C([O-])[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000261827970 600438122 /nfs/dbraw/zinc/43/81/22/600438122.db2.gz AFDOQGXCQDCUQZ-FQEVSTJZSA-N 1 2 381.476 2.033 20 0 GEADLO O=C([O-])[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000261827970 600438124 /nfs/dbraw/zinc/43/81/24/600438124.db2.gz AFDOQGXCQDCUQZ-FQEVSTJZSA-N 1 2 381.476 2.033 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000826253524 607445279 /nfs/dbraw/zinc/44/52/79/607445279.db2.gz UBHBRRUDEOXQBI-LJQANCHMSA-N 1 2 393.447 2.119 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000826253524 607445281 /nfs/dbraw/zinc/44/52/81/607445281.db2.gz UBHBRRUDEOXQBI-LJQANCHMSA-N 1 2 393.447 2.119 20 0 GEADLO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737506624 600574243 /nfs/dbraw/zinc/57/42/43/600574243.db2.gz ZNVMDPPLVFRBDO-OXJNMPFZSA-N 1 2 398.507 2.139 20 0 GEADLO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737506624 600574244 /nfs/dbraw/zinc/57/42/44/600574244.db2.gz ZNVMDPPLVFRBDO-OXJNMPFZSA-N 1 2 398.507 2.139 20 0 GEADLO O=C(CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407585 607478127 /nfs/dbraw/zinc/47/81/27/607478127.db2.gz TTWPXNZTZFXSEV-KXBFYZLASA-N 1 2 395.511 2.144 20 0 GEADLO O=C(CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407585 607478129 /nfs/dbraw/zinc/47/81/29/607478129.db2.gz TTWPXNZTZFXSEV-KXBFYZLASA-N 1 2 395.511 2.144 20 0 GEADLO C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000824764315 607494476 /nfs/dbraw/zinc/49/44/76/607494476.db2.gz VKHTYZUXLFAQCN-CYBMUJFWSA-N 1 2 385.422 2.419 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825493872 607503870 /nfs/dbraw/zinc/50/38/70/607503870.db2.gz PSNGMDXGMPSMSL-SFHVURJKSA-N 1 2 395.463 2.482 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825493872 607503872 /nfs/dbraw/zinc/50/38/72/607503872.db2.gz PSNGMDXGMPSMSL-SFHVURJKSA-N 1 2 395.463 2.482 20 0 GEADLO COc1ccc(CN(CC[NH+]2CCOCC2)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826194018 607510551 /nfs/dbraw/zinc/51/05/51/607510551.db2.gz XTKDEQJQFOIUOD-UHFFFAOYSA-N 1 2 394.479 2.214 20 0 GEADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000825998752 607526948 /nfs/dbraw/zinc/52/69/48/607526948.db2.gz BLZHEVSTPNFBBT-OAHLLOKOSA-N 1 2 391.439 2.160 20 0 GEADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000825998752 607526950 /nfs/dbraw/zinc/52/69/50/607526950.db2.gz BLZHEVSTPNFBBT-OAHLLOKOSA-N 1 2 391.439 2.160 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnc2ccc(Br)cc2c1O ZINC000444035304 649932062 /nfs/dbraw/zinc/93/20/62/649932062.db2.gz JJFINRLHQCBZIE-JTQLQIEISA-N 1 2 375.226 2.306 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(NC(=O)[O-])CCCCCC1 ZINC000739731526 602618476 /nfs/dbraw/zinc/61/84/76/602618476.db2.gz LXTCUDCKGILCDA-UHFFFAOYSA-N 1 2 397.564 2.014 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(NC(=O)[O-])CCCCCC1 ZINC000739731526 602618477 /nfs/dbraw/zinc/61/84/77/602618477.db2.gz LXTCUDCKGILCDA-UHFFFAOYSA-N 1 2 397.564 2.014 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000826181703 607578414 /nfs/dbraw/zinc/57/84/14/607578414.db2.gz KTIGRGRAJCVUOA-KRWDZBQOSA-N 1 2 396.426 2.252 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000826181703 607578416 /nfs/dbraw/zinc/57/84/16/607578416.db2.gz KTIGRGRAJCVUOA-KRWDZBQOSA-N 1 2 396.426 2.252 20 0 GEADLO COc1ccc(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1-c1nn[nH]n1 ZINC000826200302 607618828 /nfs/dbraw/zinc/61/88/28/607618828.db2.gz JJAKJHGDNYBKAU-UHFFFAOYSA-N 1 2 378.396 2.153 20 0 GEADLO CC(C)(C)OC(=O)NC1CC[NH+](CCC[NH+]2CCC(NC(=O)[O-])CC2)CC1 ZINC000738713708 603408501 /nfs/dbraw/zinc/40/85/01/603408501.db2.gz AJTYCHJGOJEWKQ-UHFFFAOYSA-N 1 2 384.521 2.098 20 0 GEADLO CC[C@@](C)([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1nccs1 ZINC000444227571 649943027 /nfs/dbraw/zinc/94/30/27/649943027.db2.gz RBFDIVNJCLWYCD-QGZVFWFLSA-N 1 2 381.523 2.078 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826182564 607749612 /nfs/dbraw/zinc/74/96/12/607749612.db2.gz NQHALPLOMYZSKG-RHSMWYFYSA-N 1 2 387.390 2.461 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826182564 607749613 /nfs/dbraw/zinc/74/96/13/607749613.db2.gz NQHALPLOMYZSKG-RHSMWYFYSA-N 1 2 387.390 2.461 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000826182566 607749625 /nfs/dbraw/zinc/74/96/25/607749625.db2.gz NQHALPLOMYZSKG-YOEHRIQHSA-N 1 2 387.390 2.461 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000826182566 607749626 /nfs/dbraw/zinc/74/96/26/607749626.db2.gz NQHALPLOMYZSKG-YOEHRIQHSA-N 1 2 387.390 2.461 20 0 GEADLO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000820563236 606068840 /nfs/dbraw/zinc/06/88/40/606068840.db2.gz PBZKVRZFDUDGKT-CQSZACIVSA-N 1 2 378.436 2.091 20 0 GEADLO CC[N@H+](CC(=O)NCC(=O)c1ccccc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821165595 606100768 /nfs/dbraw/zinc/10/07/68/606100768.db2.gz VJKPISYLYKZJSA-HNNXBMFYSA-N 1 2 392.463 2.249 20 0 GEADLO CC[N@@H+](CC(=O)NCC(=O)c1ccccc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821165595 606100770 /nfs/dbraw/zinc/10/07/70/606100770.db2.gz VJKPISYLYKZJSA-HNNXBMFYSA-N 1 2 392.463 2.249 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(-c2nn[nH]n2)c1C ZINC000822556969 606108209 /nfs/dbraw/zinc/10/82/09/606108209.db2.gz DOJLVYSYKQSBFS-GFCCVEGCSA-N 1 2 386.485 2.086 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(-c2nn[nH]n2)c1C ZINC000822556969 606108212 /nfs/dbraw/zinc/10/82/12/606108212.db2.gz DOJLVYSYKQSBFS-GFCCVEGCSA-N 1 2 386.485 2.086 20 0 GEADLO COc1cc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc(OC)c1 ZINC000821717477 606164801 /nfs/dbraw/zinc/16/48/01/606164801.db2.gz ONTSYIMICOMTEV-UHFFFAOYSA-N 1 2 398.442 2.345 20 0 GEADLO CC[C@@](C)([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1nccs1 ZINC000820852573 606189509 /nfs/dbraw/zinc/18/95/09/606189509.db2.gz CQLCDNJDPGJXGG-MRXNPFEDSA-N 1 2 392.510 2.012 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000822010280 606194659 /nfs/dbraw/zinc/19/46/59/606194659.db2.gz WGYVJCLKASSPJD-UHFFFAOYSA-N 1 2 389.419 2.407 20 0 GEADLO Cc1ccccc1CC(N)=[NH+]O[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822356115 606202548 /nfs/dbraw/zinc/20/25/48/606202548.db2.gz JUBGEEQHPNDWRB-CYBMUJFWSA-N 1 2 379.424 2.243 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc(-c4nn[nH]n4)cn3C)CC2)cc1 ZINC000820192370 606273692 /nfs/dbraw/zinc/27/36/92/606273692.db2.gz LGIMVGLRXZMOHF-UHFFFAOYSA-N 1 2 393.495 2.287 20 0 GEADLO Cc1cccc2c1CC[N@@H+]([C@@H]1CCN(c3sccc3-c3nn[nH]n3)C1=O)C2 ZINC000822341058 606321996 /nfs/dbraw/zinc/32/19/96/606321996.db2.gz SJMWNCVPPINMKJ-MRXNPFEDSA-N 1 2 380.477 2.400 20 0 GEADLO Cc1cccc2c1CC[N@H+]([C@@H]1CCN(c3sccc3-c3nn[nH]n3)C1=O)C2 ZINC000822341058 606321997 /nfs/dbraw/zinc/32/19/97/606321997.db2.gz SJMWNCVPPINMKJ-MRXNPFEDSA-N 1 2 380.477 2.400 20 0 GEADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000821407271 606344297 /nfs/dbraw/zinc/34/42/97/606344297.db2.gz QDVSDWFEZWDRLR-UHFFFAOYSA-N 1 2 382.428 2.400 20 0 GEADLO O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822912105 606378602 /nfs/dbraw/zinc/37/86/02/606378602.db2.gz MZWQMBCEBBMQGH-UOIKSKOESA-N 1 2 389.463 2.110 20 0 GEADLO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)c2ccc(F)cc2C1=O ZINC000820121341 606395335 /nfs/dbraw/zinc/39/53/35/606395335.db2.gz QHOPDHKRGQAIQF-UHFFFAOYSA-N 1 2 394.410 2.470 20 0 GEADLO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)c2ccc(F)cc2C1=O ZINC000820121341 606395336 /nfs/dbraw/zinc/39/53/36/606395336.db2.gz QHOPDHKRGQAIQF-UHFFFAOYSA-N 1 2 394.410 2.470 20 0 GEADLO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000820528741 606577038 /nfs/dbraw/zinc/57/70/38/606577038.db2.gz NODYGWRXBITJBL-HNAYVOBHSA-N 1 2 392.463 2.149 20 0 GEADLO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000820528741 606577040 /nfs/dbraw/zinc/57/70/40/606577040.db2.gz NODYGWRXBITJBL-HNAYVOBHSA-N 1 2 392.463 2.149 20 0 GEADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)s1)c1ccccc1 ZINC000822698786 606577997 /nfs/dbraw/zinc/57/79/97/606577997.db2.gz FGXXMYNIFYIZNQ-ZDUSSCGKSA-N 1 2 379.449 2.376 20 0 GEADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820563833 606594178 /nfs/dbraw/zinc/59/41/78/606594178.db2.gz VWEPLMBFTPYXSY-OAHLLOKOSA-N 1 2 394.454 2.454 20 0 GEADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000819922528 606618032 /nfs/dbraw/zinc/61/80/32/606618032.db2.gz KWEOMFZLFKKBFL-CQSZACIVSA-N 1 2 397.439 2.080 20 0 GEADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000819922528 606618034 /nfs/dbraw/zinc/61/80/34/606618034.db2.gz KWEOMFZLFKKBFL-CQSZACIVSA-N 1 2 397.439 2.080 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000819875631 606623310 /nfs/dbraw/zinc/62/33/10/606623310.db2.gz APAUDDUJSCDDNU-CFJPQMKISA-N 1 2 398.492 2.063 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000819875631 606623312 /nfs/dbraw/zinc/62/33/12/606623312.db2.gz APAUDDUJSCDDNU-CFJPQMKISA-N 1 2 398.492 2.063 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823266044 606665706 /nfs/dbraw/zinc/66/57/06/606665706.db2.gz KVCULZWUFNWPJQ-UHFFFAOYSA-N 1 2 385.378 2.070 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000820803603 606782727 /nfs/dbraw/zinc/78/27/27/606782727.db2.gz DAQFGQUTDKJNAU-NSHDSACASA-N 1 2 388.838 2.160 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(F)cc1Cl ZINC000820803603 606782729 /nfs/dbraw/zinc/78/27/29/606782729.db2.gz DAQFGQUTDKJNAU-NSHDSACASA-N 1 2 388.838 2.160 20 0 GEADLO Cc1nc(C)c(NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000822431603 606836157 /nfs/dbraw/zinc/83/61/57/606836157.db2.gz BQHRSGNXKYGQOZ-UHFFFAOYSA-N 1 2 398.496 2.290 20 0 GEADLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000822694068 606847656 /nfs/dbraw/zinc/84/76/56/606847656.db2.gz TZMOZDSOZKXFJF-ZWKOTPCHSA-N 1 2 393.426 2.152 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CCN(c2cccs2)CC1 ZINC000819877357 606881229 /nfs/dbraw/zinc/88/12/29/606881229.db2.gz UNEPUVMGFBFLDQ-ZDUSSCGKSA-N 1 2 383.481 2.077 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821319314 606900640 /nfs/dbraw/zinc/90/06/40/606900640.db2.gz CVKRGDAMAJOKHF-RBUKOAKNSA-N 1 2 395.463 2.006 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821319314 606900642 /nfs/dbraw/zinc/90/06/42/606900642.db2.gz CVKRGDAMAJOKHF-RBUKOAKNSA-N 1 2 395.463 2.006 20 0 GEADLO Cc1cc(F)c(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1F ZINC000822202089 606902819 /nfs/dbraw/zinc/90/28/19/606902819.db2.gz KJNJIXQPPMMSMS-UHFFFAOYSA-N 1 2 398.417 2.411 20 0 GEADLO CCc1nnc(NC2CCN(c3cccc[nH+]3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821527102 606910997 /nfs/dbraw/zinc/91/09/97/606910997.db2.gz BXINIDOJZPISCF-UHFFFAOYSA-N 1 2 379.472 2.257 20 0 GEADLO COc1cccc([C@H]2C[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000821864329 607076895 /nfs/dbraw/zinc/07/68/95/607076895.db2.gz XOHKMBDSEVPUCL-LJQANCHMSA-N 1 2 381.436 2.328 20 0 GEADLO COc1cccc([C@H]2C[N@@H+](CCOc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000821864329 607076896 /nfs/dbraw/zinc/07/68/96/607076896.db2.gz XOHKMBDSEVPUCL-LJQANCHMSA-N 1 2 381.436 2.328 20 0 GEADLO C[C@@H](C(=O)OCc1cc(F)ccc1-c1nn[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000819884012 607083119 /nfs/dbraw/zinc/08/31/19/607083119.db2.gz QJRQNXQVMQFADP-ZDUSSCGKSA-N 1 2 381.411 2.496 20 0 GEADLO C[C@@H](C(=O)OCc1cc(F)ccc1-c1nn[nH]n1)[N@H+]1CCc2ccccc2C1 ZINC000819884012 607083120 /nfs/dbraw/zinc/08/31/20/607083120.db2.gz QJRQNXQVMQFADP-ZDUSSCGKSA-N 1 2 381.411 2.496 20 0 GEADLO CC(C)(C)OC1CC[NH+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000819946445 607088394 /nfs/dbraw/zinc/08/83/94/607088394.db2.gz KLTDWEFZKWSASS-AWEZNQCLSA-N 1 2 390.513 2.313 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000821763488 607094613 /nfs/dbraw/zinc/09/46/13/607094613.db2.gz ZTBBHPYETYYPCS-WFASDCNBSA-N 1 2 382.428 2.187 20 0 GEADLO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000826452725 607804425 /nfs/dbraw/zinc/80/44/25/607804425.db2.gz FRNQOEFKLYZJDV-GFCCVEGCSA-N 1 2 384.831 2.316 20 0 GEADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)[C@@H]2C1 ZINC000826145303 607858122 /nfs/dbraw/zinc/85/81/22/607858122.db2.gz CZXBBOYDFBUERM-KFWWJZLASA-N 1 2 395.410 2.236 20 0 GEADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)[C@@H]2C1 ZINC000826145303 607858123 /nfs/dbraw/zinc/85/81/23/607858123.db2.gz CZXBBOYDFBUERM-KFWWJZLASA-N 1 2 395.410 2.236 20 0 GEADLO COc1cc(C[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C2CC2)ccc1O ZINC000826179409 608039887 /nfs/dbraw/zinc/03/98/87/608039887.db2.gz NCNROIARQCOOCY-UHFFFAOYSA-N 1 2 394.435 2.184 20 0 GEADLO COc1cc(C[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C2CC2)ccc1O ZINC000826179409 608039888 /nfs/dbraw/zinc/03/98/88/608039888.db2.gz NCNROIARQCOOCY-UHFFFAOYSA-N 1 2 394.435 2.184 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@H]2CN(c3cc(NCC4CC4)[nH+]cn3)CCO2)c1 ZINC000826513658 608052892 /nfs/dbraw/zinc/05/28/92/608052892.db2.gz RNXUAHOJEZETAN-MRXNPFEDSA-N 1 2 378.440 2.057 20 0 GEADLO CN(C)C(=O)c1cccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000825848967 608066567 /nfs/dbraw/zinc/06/65/67/608066567.db2.gz INWZUQLGQDEWKK-IBGZPJMESA-N 1 2 392.463 2.142 20 0 GEADLO CN(C)C(=O)c1cccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000825848967 608066568 /nfs/dbraw/zinc/06/65/68/608066568.db2.gz INWZUQLGQDEWKK-IBGZPJMESA-N 1 2 392.463 2.142 20 0 GEADLO COc1cccc(OCC[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826217208 608071796 /nfs/dbraw/zinc/07/17/96/608071796.db2.gz BVRLFWMUXJJCCX-IBGZPJMESA-N 1 2 381.436 2.328 20 0 GEADLO COc1cccc(OCC[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826217208 608071797 /nfs/dbraw/zinc/07/17/97/608071797.db2.gz BVRLFWMUXJJCCX-IBGZPJMESA-N 1 2 381.436 2.328 20 0 GEADLO O=C(C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826410573 608128847 /nfs/dbraw/zinc/12/88/47/608128847.db2.gz QWYQUMPCHWVJDT-ZDUSSCGKSA-N 1 2 388.428 2.159 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826410573 608128848 /nfs/dbraw/zinc/12/88/48/608128848.db2.gz QWYQUMPCHWVJDT-ZDUSSCGKSA-N 1 2 388.428 2.159 20 0 GEADLO COCCOc1ccc(-c2nn[nH]n2)cc1NCc1c[nH+]c2ccc(C)cn12 ZINC000826162595 608136562 /nfs/dbraw/zinc/13/65/62/608136562.db2.gz JLOXFAUGFKNDGZ-UHFFFAOYSA-N 1 2 379.424 2.460 20 0 GEADLO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825428083 608167690 /nfs/dbraw/zinc/16/76/90/608167690.db2.gz BAJBQERMIZWFSP-NSHDSACASA-N 1 2 389.485 2.425 20 0 GEADLO CC[N@@H+](CCc1nccs1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825428083 608167692 /nfs/dbraw/zinc/16/76/92/608167692.db2.gz BAJBQERMIZWFSP-NSHDSACASA-N 1 2 389.485 2.425 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ncccc2-c2nn[nH]n2)c2ccc(Cl)cc2)C1 ZINC000826044615 608234778 /nfs/dbraw/zinc/23/47/78/608234778.db2.gz IJOSAPNGDRBZJT-CVEARBPZSA-N 1 2 385.859 2.399 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ncccc2-c2nn[nH]n2)c2ccc(Cl)cc2)C1 ZINC000826044615 608234780 /nfs/dbraw/zinc/23/47/80/608234780.db2.gz IJOSAPNGDRBZJT-CVEARBPZSA-N 1 2 385.859 2.399 20 0 GEADLO CCOC(=O)C[N@@H+](Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1)CC(C)C ZINC000825511823 608309754 /nfs/dbraw/zinc/30/97/54/608309754.db2.gz HAVJISITQYYNIL-UHFFFAOYSA-N 1 2 397.483 2.382 20 0 GEADLO CCOC(=O)C[N@H+](Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1)CC(C)C ZINC000825511823 608309756 /nfs/dbraw/zinc/30/97/56/608309756.db2.gz HAVJISITQYYNIL-UHFFFAOYSA-N 1 2 397.483 2.382 20 0 GEADLO Fc1c(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cccc1-c1nn[nH]n1 ZINC000826370633 608392457 /nfs/dbraw/zinc/39/24/57/608392457.db2.gz BHZXLTBKEXHNGB-UHFFFAOYSA-N 1 2 379.399 2.469 20 0 GEADLO CC(C)S(=O)(=O)CCC[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824338012 608463091 /nfs/dbraw/zinc/46/30/91/608463091.db2.gz MQZNYVGRGPYKJS-UHFFFAOYSA-N 1 2 375.498 2.169 20 0 GEADLO CC(C)S(=O)(=O)CCC[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824338012 608463092 /nfs/dbraw/zinc/46/30/92/608463092.db2.gz MQZNYVGRGPYKJS-UHFFFAOYSA-N 1 2 375.498 2.169 20 0 GEADLO COc1ccc(F)cc1CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826208851 608505503 /nfs/dbraw/zinc/50/55/03/608505503.db2.gz CIWWRBCOLZZBHQ-UHFFFAOYSA-N 1 2 388.472 2.394 20 0 GEADLO COc1ccc(Cl)cc1CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826208271 608516992 /nfs/dbraw/zinc/51/69/92/608516992.db2.gz BXVIYGIGOPVGNQ-UHFFFAOYSA-N 1 2 388.859 2.440 20 0 GEADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000826216680 608538095 /nfs/dbraw/zinc/53/80/95/608538095.db2.gz JRCIFGRRZPCEQM-SECBINFHSA-N 1 2 376.417 2.365 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)nc1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000826280938 608543308 /nfs/dbraw/zinc/54/33/08/608543308.db2.gz WSVPRDJOYUILTH-UHFFFAOYSA-N 1 2 392.467 2.085 20 0 GEADLO COC[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC000826150305 608552128 /nfs/dbraw/zinc/55/21/28/608552128.db2.gz AUMYOIIKUXXZOP-ZDUSSCGKSA-N 1 2 394.407 2.122 20 0 GEADLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc2c1OCO2 ZINC000826179159 608850664 /nfs/dbraw/zinc/85/06/64/608850664.db2.gz BTQNRRQJVIMKFY-GOSISDBHSA-N 1 2 395.419 2.178 20 0 GEADLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc2c1OCO2 ZINC000826179159 608850667 /nfs/dbraw/zinc/85/06/67/608850667.db2.gz BTQNRRQJVIMKFY-GOSISDBHSA-N 1 2 395.419 2.178 20 0 GEADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c(OC)c1 ZINC000826195565 608850685 /nfs/dbraw/zinc/85/06/85/608850685.db2.gz YBKRNXLTCPJFAS-LJQANCHMSA-N 1 2 381.436 2.457 20 0 GEADLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c(OC)c1 ZINC000826195565 608850688 /nfs/dbraw/zinc/85/06/88/608850688.db2.gz YBKRNXLTCPJFAS-LJQANCHMSA-N 1 2 381.436 2.457 20 0 GEADLO CCC[C@@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825252569 609140414 /nfs/dbraw/zinc/14/04/14/609140414.db2.gz JGNBMCVDSSJLGU-RBUKOAKNSA-N 1 2 398.511 2.106 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826030004 609230137 /nfs/dbraw/zinc/23/01/37/609230137.db2.gz ZIIBEIHIHOFODM-UKRRQHHQSA-N 1 2 389.822 2.163 20 0 GEADLO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000825313299 609268055 /nfs/dbraw/zinc/26/80/55/609268055.db2.gz ABZPFEKRWZUNLZ-MRXNPFEDSA-N 1 2 379.468 2.442 20 0 GEADLO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000825313299 609268057 /nfs/dbraw/zinc/26/80/57/609268057.db2.gz ABZPFEKRWZUNLZ-MRXNPFEDSA-N 1 2 379.468 2.442 20 0 GEADLO CC[C@H]1C[C@@H](CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825181455 609375409 /nfs/dbraw/zinc/37/54/09/609375409.db2.gz DZATVMWAWXLIND-HKUYNNGSSA-N 1 2 398.511 2.106 20 0 GEADLO c1ccc(C[N@@H+]2CCO[C@H](c3noc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)cc1 ZINC000826521201 609475813 /nfs/dbraw/zinc/47/58/13/609475813.db2.gz DKPFYYAHEGVGRB-KRWDZBQOSA-N 1 2 389.419 2.490 20 0 GEADLO c1ccc(C[N@H+]2CCO[C@H](c3noc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)cc1 ZINC000826521201 609475817 /nfs/dbraw/zinc/47/58/17/609475817.db2.gz DKPFYYAHEGVGRB-KRWDZBQOSA-N 1 2 389.419 2.490 20 0 GEADLO C[C@H]1CCC[C@H]1C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000824928474 609499218 /nfs/dbraw/zinc/49/92/18/609499218.db2.gz TUURVUAJICNJSW-LSDHHAIUSA-N 1 2 391.479 2.500 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Br)cc2OC)C1 ZINC000447090274 649997394 /nfs/dbraw/zinc/99/73/94/649997394.db2.gz ZFHOPUMFWJALHH-CJNGLKHVSA-N 1 2 388.302 2.304 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Br)cc2OC)C1 ZINC000447090274 649997397 /nfs/dbraw/zinc/99/73/97/649997397.db2.gz ZFHOPUMFWJALHH-CJNGLKHVSA-N 1 2 388.302 2.304 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cccc(F)c2Br)CC1 ZINC000449010566 650029681 /nfs/dbraw/zinc/02/96/81/650029681.db2.gz STPFTVXJHVFPQA-LBPRGKRZSA-N 1 2 384.293 2.373 20 0 GEADLO Fc1cccc(CNc2ccn(CC[NH+]3CCOCC3)n2)c1Br ZINC000449183581 650033819 /nfs/dbraw/zinc/03/38/19/650033819.db2.gz GGQASWORUUZGTD-UHFFFAOYSA-N 1 2 383.265 2.729 20 0 GEADLO CS[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)C[C@H]1[NH+](C)C ZINC000450265073 650063299 /nfs/dbraw/zinc/06/32/99/650063299.db2.gz ICLPWEBJCUMZPH-DGCLKSJQSA-N 1 2 377.279 2.411 20 0 GEADLO CCS(=O)(=O)NCCNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450304477 650063593 /nfs/dbraw/zinc/06/35/93/650063593.db2.gz QYDBOLKOAULDLV-UHFFFAOYSA-N 1 2 376.251 2.488 20 0 GEADLO O=C1N=NC([C@@H]2CCC[N@@H+](C[C@H](O)COc3cccc(Br)c3)C2)O1 ZINC000450898213 650074811 /nfs/dbraw/zinc/07/48/11/650074811.db2.gz BDHRTEZSUDKHIT-YPMHNXCESA-N 1 2 398.257 2.157 20 0 GEADLO O=C1N=NC([C@@H]2CCC[N@H+](C[C@H](O)COc3cccc(Br)c3)C2)O1 ZINC000450898213 650074816 /nfs/dbraw/zinc/07/48/16/650074816.db2.gz BDHRTEZSUDKHIT-YPMHNXCESA-N 1 2 398.257 2.157 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@H](O)COc3cccc(Br)c3)C2)o1 ZINC000450898213 650074818 /nfs/dbraw/zinc/07/48/18/650074818.db2.gz BDHRTEZSUDKHIT-YPMHNXCESA-N 1 2 398.257 2.157 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@H](O)COc3cccc(Br)c3)C2)o1 ZINC000450898213 650074819 /nfs/dbraw/zinc/07/48/19/650074819.db2.gz BDHRTEZSUDKHIT-YPMHNXCESA-N 1 2 398.257 2.157 20 0 GEADLO C[C@@H]1C[N@H+](CCO)CCN1c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl ZINC000450952197 650076453 /nfs/dbraw/zinc/07/64/53/650076453.db2.gz HJJQMBNHYYKMJN-GFCCVEGCSA-N 1 2 383.279 2.042 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)CCN1c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl ZINC000450952197 650076456 /nfs/dbraw/zinc/07/64/56/650076456.db2.gz HJJQMBNHYYKMJN-GFCCVEGCSA-N 1 2 383.279 2.042 20 0 GEADLO CC(C)[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1COC1 ZINC000451119690 650088807 /nfs/dbraw/zinc/08/88/07/650088807.db2.gz GIWVOLQATVTIDV-UHFFFAOYSA-N 1 2 387.311 2.146 20 0 GEADLO CC(C)[N@@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1COC1 ZINC000451119690 650088808 /nfs/dbraw/zinc/08/88/08/650088808.db2.gz GIWVOLQATVTIDV-UHFFFAOYSA-N 1 2 387.311 2.146 20 0 GEADLO O=S(=O)(C[C@H]1CCCCC1(F)F)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000451199340 650096002 /nfs/dbraw/zinc/09/60/02/650096002.db2.gz QYUHGMKWOAYYTO-JKSUJKDBSA-N 1 2 380.501 2.186 20 0 GEADLO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000451331478 650104256 /nfs/dbraw/zinc/10/42/56/650104256.db2.gz NTYPGTFNHMBEOX-UHFFFAOYSA-N 1 2 385.873 2.342 20 0 GEADLO CC(C)([NH2+]CC(=O)Nc1ccc(Br)cn1)c1nnc2n1CCCC2 ZINC000451400366 650111449 /nfs/dbraw/zinc/11/14/49/650111449.db2.gz ASYUJPZAPCURCP-UHFFFAOYSA-N 1 2 393.289 2.235 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(I)cn2)C1 ZINC000456017939 650327623 /nfs/dbraw/zinc/32/76/23/650327623.db2.gz DVQZSEWMZBQOFS-NSHDSACASA-N 1 2 396.232 2.440 20 0 GEADLO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000456732941 650361359 /nfs/dbraw/zinc/36/13/59/650361359.db2.gz VAQLNEGISHAVLZ-ZDUSSCGKSA-N 1 2 380.286 2.381 20 0 GEADLO O=C(N[C@@H]1CCOC1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000500575093 650380963 /nfs/dbraw/zinc/38/09/63/650380963.db2.gz GLEGVGUZQQAMIY-GFCCVEGCSA-N 1 2 383.246 2.239 20 0 GEADLO C[C@H](CNC(=O)N1CCC[C@H]1c1ccc(Br)cn1)[NH+]1CCOCC1 ZINC000457694337 650382983 /nfs/dbraw/zinc/38/29/83/650382983.db2.gz RHIJNOBUKHWBHH-CJNGLKHVSA-N 1 2 397.317 2.411 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cc(Br)co3)cc2C1 ZINC000457766859 650384071 /nfs/dbraw/zinc/38/40/71/650384071.db2.gz OWEHFZPTORRVLM-UHFFFAOYSA-N 1 2 378.226 2.138 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cc(Br)co3)cc2C1 ZINC000457766859 650384075 /nfs/dbraw/zinc/38/40/75/650384075.db2.gz OWEHFZPTORRVLM-UHFFFAOYSA-N 1 2 378.226 2.138 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000457829519 650385934 /nfs/dbraw/zinc/38/59/34/650385934.db2.gz VTDACKJTGAQLHQ-JTQLQIEISA-N 1 2 377.246 2.410 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)NCCC(=O)Nc2ccc(Br)cc2)c1 ZINC000457899320 650389039 /nfs/dbraw/zinc/38/90/39/650389039.db2.gz GTRNIPLJGPEBGI-UHFFFAOYSA-N 1 2 394.273 2.053 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458120406 650396272 /nfs/dbraw/zinc/39/62/72/650396272.db2.gz XEAVAIPQIPNAGB-GFCCVEGCSA-N 1 2 384.249 2.211 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCc3ccncn3)[nH+]c12 ZINC000458646359 650406059 /nfs/dbraw/zinc/40/60/59/650406059.db2.gz DZVRFRZKHQLQTA-UHFFFAOYSA-N 1 2 389.257 2.237 20 0 GEADLO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NCc1c[nH+]cn1C ZINC000458794092 650410603 /nfs/dbraw/zinc/41/06/03/650410603.db2.gz BHTGEFWLKILRME-ZDUSSCGKSA-N 1 2 395.301 2.141 20 0 GEADLO CC(=O)NCC[N@H+](CCN1CCCC1=O)Cc1ccc(Br)s1 ZINC000503217618 650416268 /nfs/dbraw/zinc/41/62/68/650416268.db2.gz OJRJMACZCYXDAR-UHFFFAOYSA-N 1 2 388.331 2.071 20 0 GEADLO CC(=O)NCC[N@@H+](CCN1CCCC1=O)Cc1ccc(Br)s1 ZINC000503217618 650416272 /nfs/dbraw/zinc/41/62/72/650416272.db2.gz OJRJMACZCYXDAR-UHFFFAOYSA-N 1 2 388.331 2.071 20 0 GEADLO CSc1ccc([C@@H](CNC(=O)N[C@@H](C)CCS(C)(=O)=O)[NH+](C)C)cc1 ZINC000458884007 650413321 /nfs/dbraw/zinc/41/33/21/650413321.db2.gz FWPGCRGHBHMLDW-XJKSGUPXSA-N 1 2 387.571 2.134 20 0 GEADLO O=C(Cc1c(F)ccc(Br)c1F)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000503611607 650420553 /nfs/dbraw/zinc/42/05/53/650420553.db2.gz BDAMHIDYBIRPAJ-LLVKDONJSA-N 1 2 389.240 2.249 20 0 GEADLO O=C(Cc1c(F)ccc(Br)c1F)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000503611607 650420554 /nfs/dbraw/zinc/42/05/54/650420554.db2.gz BDAMHIDYBIRPAJ-LLVKDONJSA-N 1 2 389.240 2.249 20 0 GEADLO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](CCn2cc(Cl)cn2)CC1 ZINC000459297731 650422083 /nfs/dbraw/zinc/42/20/83/650422083.db2.gz RSIRLDJZVLISGC-UHFFFAOYSA-N 1 2 386.880 2.072 20 0 GEADLO O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](CCn2cc(Cl)cn2)CC1 ZINC000459297731 650422085 /nfs/dbraw/zinc/42/20/85/650422085.db2.gz RSIRLDJZVLISGC-UHFFFAOYSA-N 1 2 386.880 2.072 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH+]1CC(C)(COC)C1 ZINC000459620272 650429179 /nfs/dbraw/zinc/42/91/79/650429179.db2.gz ILUAXYBTBLONIE-LBPRGKRZSA-N 1 2 385.302 2.431 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[NH2+][C@H](C)c2nc3c(s2)CCC3)n1 ZINC000459633578 650429548 /nfs/dbraw/zinc/42/95/48/650429548.db2.gz PIRWUPFXVSYOFZ-SECBINFHSA-N 1 2 380.495 2.093 20 0 GEADLO COCCNC(=O)C1([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000459755618 650432257 /nfs/dbraw/zinc/43/22/57/650432257.db2.gz MXKJZHLLFDOYKA-UHFFFAOYSA-N 1 2 393.285 2.224 20 0 GEADLO Cn1nccc1[C@@H](CO)[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000459777513 650432525 /nfs/dbraw/zinc/43/25/25/650432525.db2.gz WRRBBLHLYLDURV-CYBMUJFWSA-N 1 2 382.258 2.167 20 0 GEADLO COc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1Br ZINC000507935077 650469919 /nfs/dbraw/zinc/46/99/19/650469919.db2.gz JABTUDQMHTUKBX-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1Br ZINC000507935077 650469920 /nfs/dbraw/zinc/46/99/20/650469920.db2.gz JABTUDQMHTUKBX-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000507932481 650469935 /nfs/dbraw/zinc/46/99/35/650469935.db2.gz DKTBCTGIFJMOBS-RYUDHWBXSA-N 1 2 390.347 2.228 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000507932481 650469937 /nfs/dbraw/zinc/46/99/37/650469937.db2.gz DKTBCTGIFJMOBS-RYUDHWBXSA-N 1 2 390.347 2.228 20 0 GEADLO CCCOc1ccc(Br)cc1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000462349594 650476883 /nfs/dbraw/zinc/47/68/83/650476883.db2.gz UWWBNMXIMKGZHN-UHFFFAOYSA-N 1 2 391.331 2.491 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cc(C(=O)OC)c2)CCO1 ZINC000462327925 650475505 /nfs/dbraw/zinc/47/55/05/650475505.db2.gz ZKWRYLTWKXAKJY-OAHLLOKOSA-N 1 2 399.285 2.076 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc(C(=O)OC)c2)CCO1 ZINC000462327925 650475508 /nfs/dbraw/zinc/47/55/08/650475508.db2.gz ZKWRYLTWKXAKJY-OAHLLOKOSA-N 1 2 399.285 2.076 20 0 GEADLO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@H]1CC ZINC000462335786 650475912 /nfs/dbraw/zinc/47/59/12/650475912.db2.gz NSQZWTXPATULPQ-GFCCVEGCSA-N 1 2 380.432 2.225 20 0 GEADLO CCOCC[N@H+]1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@H]1CC ZINC000462335786 650475914 /nfs/dbraw/zinc/47/59/14/650475914.db2.gz NSQZWTXPATULPQ-GFCCVEGCSA-N 1 2 380.432 2.225 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CCc1cccc(Br)c1 ZINC000463366795 650494232 /nfs/dbraw/zinc/49/42/32/650494232.db2.gz KAKSYCYWNOFCNF-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CCc1cccc(Br)c1 ZINC000463366795 650494234 /nfs/dbraw/zinc/49/42/34/650494234.db2.gz KAKSYCYWNOFCNF-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO O=C(c1ccc(Br)c2c1OCCC2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000469497201 650510770 /nfs/dbraw/zinc/51/07/70/650510770.db2.gz FIMIRMRYBIWSSB-ZDUSSCGKSA-N 1 2 395.297 2.321 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCOc1cccc(Br)c1 ZINC000468767804 650506794 /nfs/dbraw/zinc/50/67/94/650506794.db2.gz AWGQUHHTYMDTPZ-AWEZNQCLSA-N 1 2 385.302 2.397 20 0 GEADLO COC(=O)CCCS(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000510248692 650509264 /nfs/dbraw/zinc/50/92/64/650509264.db2.gz GONUYXTVSTXRKL-UHFFFAOYSA-N 1 2 388.917 2.131 20 0 GEADLO COC(=O)CCCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000510248692 650509267 /nfs/dbraw/zinc/50/92/67/650509267.db2.gz GONUYXTVSTXRKL-UHFFFAOYSA-N 1 2 388.917 2.131 20 0 GEADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccccc1SCC(N)=O ZINC000470949166 650517385 /nfs/dbraw/zinc/51/73/85/650517385.db2.gz VUSVJCYGKNXVPZ-MNOVXSKESA-N 1 2 375.416 2.475 20 0 GEADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccccc1SCC(N)=O ZINC000470949166 650517387 /nfs/dbraw/zinc/51/73/87/650517387.db2.gz VUSVJCYGKNXVPZ-MNOVXSKESA-N 1 2 375.416 2.475 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511091668 650525742 /nfs/dbraw/zinc/52/57/42/650525742.db2.gz MWTLRAFXYUSZPN-CQSZACIVSA-N 1 2 387.933 2.190 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511091668 650525744 /nfs/dbraw/zinc/52/57/44/650525744.db2.gz MWTLRAFXYUSZPN-CQSZACIVSA-N 1 2 387.933 2.190 20 0 GEADLO O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000473992887 650526484 /nfs/dbraw/zinc/52/64/84/650526484.db2.gz GBTYVZMOJMGUEP-OAHLLOKOSA-N 1 2 387.307 2.486 20 0 GEADLO CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000474097662 650527261 /nfs/dbraw/zinc/52/72/61/650527261.db2.gz RUKVSILWTYLYBO-GXFFZTMASA-N 1 2 389.315 2.124 20 0 GEADLO CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cs1 ZINC000511127400 650527322 /nfs/dbraw/zinc/52/73/22/650527322.db2.gz VLCUSEBIPULITR-LLVKDONJSA-N 1 2 378.420 2.382 20 0 GEADLO CC(=O)Nc1nc(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cs1 ZINC000511127400 650527327 /nfs/dbraw/zinc/52/73/27/650527327.db2.gz VLCUSEBIPULITR-LLVKDONJSA-N 1 2 378.420 2.382 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000511340040 650534267 /nfs/dbraw/zinc/53/42/67/650534267.db2.gz APZXUXWTLOHFRQ-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000511340040 650534271 /nfs/dbraw/zinc/53/42/71/650534271.db2.gz APZXUXWTLOHFRQ-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@@H](C)C1 ZINC000511341091 650534289 /nfs/dbraw/zinc/53/42/89/650534289.db2.gz CIYBFPRJGQKYQT-VIFPVBQESA-N 1 2 383.258 2.442 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@@H](C)C1 ZINC000511341091 650534293 /nfs/dbraw/zinc/53/42/93/650534293.db2.gz CIYBFPRJGQKYQT-VIFPVBQESA-N 1 2 383.258 2.442 20 0 GEADLO C[C@@]1(C(N)=O)CC[N@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000475671593 650535972 /nfs/dbraw/zinc/53/59/72/650535972.db2.gz QLCYPQWDFVBGBR-CYBMUJFWSA-N 1 2 380.176 2.267 20 0 GEADLO C[C@@]1(C(N)=O)CC[N@@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000475671593 650535974 /nfs/dbraw/zinc/53/59/74/650535974.db2.gz QLCYPQWDFVBGBR-CYBMUJFWSA-N 1 2 380.176 2.267 20 0 GEADLO CC[C@@H]1CN(CC[C@H](C)[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@@]1=O ZINC000512470499 650549447 /nfs/dbraw/zinc/54/94/47/650549447.db2.gz YUNBMSMOVCFIPB-QSOVKCJPSA-N 1 2 376.632 2.228 20 0 GEADLO CC[C@@H]1CN(CC[C@H](C)[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@@]1=O ZINC000512470499 650549448 /nfs/dbraw/zinc/54/94/48/650549448.db2.gz YUNBMSMOVCFIPB-QSOVKCJPSA-N 1 2 376.632 2.228 20 0 GEADLO CC[C@@H]1CN([C@@H](C)CC[N@@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@@]1=O ZINC000512470499 650549449 /nfs/dbraw/zinc/54/94/49/650549449.db2.gz YUNBMSMOVCFIPB-QSOVKCJPSA-N 1 2 376.632 2.228 20 0 GEADLO CC[C@@H]1CN([C@@H](C)CC[N@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@@]1=O ZINC000512470499 650549451 /nfs/dbraw/zinc/54/94/51/650549451.db2.gz YUNBMSMOVCFIPB-QSOVKCJPSA-N 1 2 376.632 2.228 20 0 GEADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000513382485 650562474 /nfs/dbraw/zinc/56/24/74/650562474.db2.gz XUQBCWQXZGPVMJ-CQSZACIVSA-N 1 2 386.323 2.358 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000514108339 650573782 /nfs/dbraw/zinc/57/37/82/650573782.db2.gz YGPAOWYZZYIYJS-KRWDZBQOSA-N 1 2 381.270 2.338 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000514108339 650573785 /nfs/dbraw/zinc/57/37/85/650573785.db2.gz YGPAOWYZZYIYJS-KRWDZBQOSA-N 1 2 381.270 2.338 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000514741771 650578087 /nfs/dbraw/zinc/57/80/87/650578087.db2.gz KTVRREIPRYEGQW-JOCHJYFZSA-N 1 2 399.365 2.115 20 0 GEADLO C[C@@H](C(=O)N[C@H](CO)c1ccccc1OC(F)(F)F)[NH+]1CCSCC1 ZINC000478139684 650583474 /nfs/dbraw/zinc/58/34/74/650583474.db2.gz IPYFTNAIANAKRI-WCQYABFASA-N 1 2 378.416 2.172 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(F)cc1Br ZINC000478587799 650588305 /nfs/dbraw/zinc/58/83/05/650588305.db2.gz AUAZSFGYIFWLHQ-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1ccc(F)cc1Br ZINC000478587799 650588310 /nfs/dbraw/zinc/58/83/10/650588310.db2.gz AUAZSFGYIFWLHQ-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO CCSCC[C@H](C)N(C)C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000478827698 650591758 /nfs/dbraw/zinc/59/17/58/650591758.db2.gz HMYDKMXWNNVSLF-AWEZNQCLSA-N 1 2 383.583 2.213 20 0 GEADLO CCSCC[C@H](C)N(C)C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000478827698 650591760 /nfs/dbraw/zinc/59/17/60/650591760.db2.gz HMYDKMXWNNVSLF-AWEZNQCLSA-N 1 2 383.583 2.213 20 0 GEADLO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1=O ZINC000516516665 650598198 /nfs/dbraw/zinc/59/81/98/650598198.db2.gz XYBHMNMJULEZNP-XHBSWPGZSA-N 1 2 390.285 2.129 20 0 GEADLO CN(Cc1cc(Br)ccc1Cl)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000518225538 650603134 /nfs/dbraw/zinc/60/31/34/650603134.db2.gz OKEWTCRIANPBRS-UHFFFAOYSA-N 1 2 399.676 2.074 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)CSc2ccc(C(F)(F)F)cn2)CC1 ZINC000518408586 650604559 /nfs/dbraw/zinc/60/45/59/650604559.db2.gz MGADOPOFUVWINF-UHFFFAOYSA-N 1 2 377.432 2.373 20 0 GEADLO C[C@H]1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCS1(=O)=O ZINC000521742066 650619510 /nfs/dbraw/zinc/61/95/10/650619510.db2.gz KPWLLUSOVIQTQO-XJKSGUPXSA-N 1 2 387.933 2.161 20 0 GEADLO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ncc(Br)s2)C1=O ZINC000480481134 650622980 /nfs/dbraw/zinc/62/29/80/650622980.db2.gz MCVRXBYXYCKQEJ-JTQLQIEISA-N 1 2 384.303 2.407 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)CCO1 ZINC000523763132 650638198 /nfs/dbraw/zinc/63/81/98/650638198.db2.gz IWKNETSHXHCDMA-XVGQJIODSA-N 1 2 393.325 2.490 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)CCO1 ZINC000523763132 650638199 /nfs/dbraw/zinc/63/81/99/650638199.db2.gz IWKNETSHXHCDMA-XVGQJIODSA-N 1 2 393.325 2.490 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)CCCOc2cccc(Br)c2)CCO1 ZINC000523440230 650635056 /nfs/dbraw/zinc/63/50/56/650635056.db2.gz ZRMTVWQXTVFTJY-CQSZACIVSA-N 1 2 385.302 2.445 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)CCCOc2cccc(Br)c2)CCO1 ZINC000523440230 650635058 /nfs/dbraw/zinc/63/50/58/650635058.db2.gz ZRMTVWQXTVFTJY-CQSZACIVSA-N 1 2 385.302 2.445 20 0 GEADLO O=C(Cn1cc(Br)ccc1=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523723946 650637569 /nfs/dbraw/zinc/63/75/69/650637569.db2.gz GSJGDJWETICLLG-UHFFFAOYSA-N 1 2 387.237 2.113 20 0 GEADLO Cc1cn2cc(NC(=O)CNC(=O)c3ccc(Br)o3)ccc2[nH+]1 ZINC000524164917 650639221 /nfs/dbraw/zinc/63/92/21/650639221.db2.gz CBLUSYMHRFNXGH-UHFFFAOYSA-N 1 2 377.198 2.367 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)NCCOc1cccc(Cl)c1 ZINC000524755635 650645800 /nfs/dbraw/zinc/64/58/00/650645800.db2.gz CMHVYDRAWLHFTL-ZFWWWQNUSA-N 1 2 380.794 2.223 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)NCCOc1cccc(Cl)c1 ZINC000524755635 650645803 /nfs/dbraw/zinc/64/58/03/650645803.db2.gz CMHVYDRAWLHFTL-ZFWWWQNUSA-N 1 2 380.794 2.223 20 0 GEADLO CS(=O)(=O)Cc1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000525641992 650655225 /nfs/dbraw/zinc/65/52/25/650655225.db2.gz VCUCKJJCPDBNDV-UHFFFAOYSA-N 1 2 378.523 2.187 20 0 GEADLO CS(=O)(=O)Cc1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000525641992 650655228 /nfs/dbraw/zinc/65/52/28/650655228.db2.gz VCUCKJJCPDBNDV-UHFFFAOYSA-N 1 2 378.523 2.187 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)s1 ZINC000525830320 650658275 /nfs/dbraw/zinc/65/82/75/650658275.db2.gz YHIGXBUKFGQBDI-UHFFFAOYSA-N 1 2 377.491 2.357 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)CCc1c[nH+]cn1C ZINC000527520411 650677586 /nfs/dbraw/zinc/67/75/86/650677586.db2.gz RHZNRWAUWIKFHH-UHFFFAOYSA-N 1 2 379.258 2.212 20 0 GEADLO O=C(CSc1ccccc1Cl)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000483597719 650680169 /nfs/dbraw/zinc/68/01/69/650680169.db2.gz AKIXTWYJUDXRGT-HNNXBMFYSA-N 1 2 384.929 2.382 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000528359136 650690756 /nfs/dbraw/zinc/69/07/56/650690756.db2.gz NZDPTEZQLBTWEB-GHMZBOCLSA-N 1 2 382.404 2.307 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000528359136 650690757 /nfs/dbraw/zinc/69/07/57/650690757.db2.gz NZDPTEZQLBTWEB-GHMZBOCLSA-N 1 2 382.404 2.307 20 0 GEADLO COc1cc(S(=O)(=O)N2CCC(C)([NH+]3CCOCC3)CC2)ccc1Cl ZINC000528538461 650695514 /nfs/dbraw/zinc/69/55/14/650695514.db2.gz QTFRXCMGYXOXHZ-UHFFFAOYSA-N 1 2 388.917 2.224 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000530031210 650710804 /nfs/dbraw/zinc/71/08/04/650710804.db2.gz CHUSGNIKEGGUHB-BXUZGUMPSA-N 1 2 379.309 2.147 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000530034002 650711162 /nfs/dbraw/zinc/71/11/62/650711162.db2.gz SUJBGMWOPYEOJK-UONOGXRCSA-N 1 2 379.309 2.290 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1Br ZINC000486397628 650712942 /nfs/dbraw/zinc/71/29/42/650712942.db2.gz RRNIOMOBUUONGI-GFCCVEGCSA-N 1 2 379.258 2.406 20 0 GEADLO Cc1cccc(Br)c1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000486619166 650716298 /nfs/dbraw/zinc/71/62/98/650716298.db2.gz YSIYPBDWJRNGOF-HNNXBMFYSA-N 1 2 397.313 2.321 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531079297 650734377 /nfs/dbraw/zinc/73/43/77/650734377.db2.gz XJHOOUNIAGFZRZ-CZUORRHYSA-N 1 2 389.949 2.407 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2n1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000487946268 650739942 /nfs/dbraw/zinc/73/99/42/650739942.db2.gz WNUVKXQEZYMITN-GFCCVEGCSA-N 1 2 389.257 2.108 20 0 GEADLO O=C(CN1CSCC1=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031896811 642491532 /nfs/dbraw/zinc/49/15/32/642491532.db2.gz IQYBDNVLCPWNQC-AWEZNQCLSA-N 1 2 385.892 2.265 20 0 GEADLO Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000532762221 650752959 /nfs/dbraw/zinc/75/29/59/650752959.db2.gz CHGTYURUDLTDBI-GOEBONIOSA-N 1 2 379.551 2.272 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066361 642524872 /nfs/dbraw/zinc/52/48/72/642524872.db2.gz LIRSDPWUEQIHKI-QMMMGPOBSA-N 1 2 379.667 2.061 20 0 GEADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000041281083 642528147 /nfs/dbraw/zinc/52/81/47/642528147.db2.gz SAONZOBQNDJQKN-OAHLLOKOSA-N 1 2 388.295 2.405 20 0 GEADLO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000041965741 642537414 /nfs/dbraw/zinc/53/74/14/642537414.db2.gz PQANGLTZVCFELP-RWMBFGLXSA-N 1 2 398.301 2.002 20 0 GEADLO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000041965741 642537423 /nfs/dbraw/zinc/53/74/23/642537423.db2.gz PQANGLTZVCFELP-RWMBFGLXSA-N 1 2 398.301 2.002 20 0 GEADLO COCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000044398510 642577533 /nfs/dbraw/zinc/57/75/33/642577533.db2.gz AXGREFPCRSTNDH-CQSZACIVSA-N 1 2 385.302 2.315 20 0 GEADLO COCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000044398508 642577603 /nfs/dbraw/zinc/57/76/03/642577603.db2.gz AXGREFPCRSTNDH-AWEZNQCLSA-N 1 2 385.302 2.315 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000045159026 642590042 /nfs/dbraw/zinc/59/00/42/642590042.db2.gz PWTPOPZBQBJASG-ZDUSSCGKSA-N 1 2 391.269 2.205 20 0 GEADLO Cn1cc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)nn1 ZINC000534179263 650770126 /nfs/dbraw/zinc/77/01/26/650770126.db2.gz YOASSCMXJGINKQ-UHFFFAOYSA-N 1 2 378.274 2.428 20 0 GEADLO CCOC(=O)CC[N@H+](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000050067507 642676296 /nfs/dbraw/zinc/67/62/96/642676296.db2.gz BPKOEZKGBSVOPX-UHFFFAOYSA-N 1 2 378.288 2.108 20 0 GEADLO CCOC(=O)CC[N@@H+](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000050067507 642676300 /nfs/dbraw/zinc/67/63/00/642676300.db2.gz BPKOEZKGBSVOPX-UHFFFAOYSA-N 1 2 378.288 2.108 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000534502701 650776117 /nfs/dbraw/zinc/77/61/17/650776117.db2.gz JZXBLCUANFNXED-SNVBAGLBSA-N 1 2 395.232 2.276 20 0 GEADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213496 642712409 /nfs/dbraw/zinc/71/24/09/642712409.db2.gz FJSFNZNEYLRQSL-IUODEOHRSA-N 1 2 398.301 2.447 20 0 GEADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213496 642712418 /nfs/dbraw/zinc/71/24/18/642712418.db2.gz FJSFNZNEYLRQSL-IUODEOHRSA-N 1 2 398.301 2.447 20 0 GEADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000054104219 642747015 /nfs/dbraw/zinc/74/70/15/642747015.db2.gz ALXDFIWUMRAZHQ-UHFFFAOYSA-N 1 2 382.917 2.348 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000534828325 650780925 /nfs/dbraw/zinc/78/09/25/650780925.db2.gz YEMFMBZPBTYKHS-KKUMJFAQSA-N 1 2 392.253 2.176 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000534828325 650780929 /nfs/dbraw/zinc/78/09/29/650780929.db2.gz YEMFMBZPBTYKHS-KKUMJFAQSA-N 1 2 392.253 2.176 20 0 GEADLO NC(=O)NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000055879664 642784082 /nfs/dbraw/zinc/78/40/82/642784082.db2.gz PWWUFLMJAZZPBQ-OAHLLOKOSA-N 1 2 380.217 2.462 20 0 GEADLO COc1ccc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1Br ZINC000535072301 650784514 /nfs/dbraw/zinc/78/45/14/650784514.db2.gz DINIYFAJLSFGOW-CYBMUJFWSA-N 1 2 391.331 2.361 20 0 GEADLO COc1ccc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1Br ZINC000535072301 650784515 /nfs/dbraw/zinc/78/45/15/650784515.db2.gz DINIYFAJLSFGOW-CYBMUJFWSA-N 1 2 391.331 2.361 20 0 GEADLO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000491261731 650784829 /nfs/dbraw/zinc/78/48/29/650784829.db2.gz ZHBNCKOUCXJUOW-VIFPVBQESA-N 1 2 383.258 2.490 20 0 GEADLO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000491261731 650784831 /nfs/dbraw/zinc/78/48/31/650784831.db2.gz ZHBNCKOUCXJUOW-VIFPVBQESA-N 1 2 383.258 2.490 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(Br)cn2)C1 ZINC000535264099 650786408 /nfs/dbraw/zinc/78/64/08/650786408.db2.gz CRKHSNBIHKTJAB-CQSZACIVSA-N 1 2 382.283 2.309 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(Br)cn2)C1 ZINC000535264099 650786410 /nfs/dbraw/zinc/78/64/10/650786410.db2.gz CRKHSNBIHKTJAB-CQSZACIVSA-N 1 2 382.283 2.309 20 0 GEADLO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000063201953 642855135 /nfs/dbraw/zinc/85/51/35/642855135.db2.gz ALNHGNCUPQSSCX-UHFFFAOYSA-N 1 2 385.283 2.134 20 0 GEADLO Cc1nn(C)c(Cl)c1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000066155414 642899218 /nfs/dbraw/zinc/89/92/18/642899218.db2.gz RJBJQXXFXVKCBF-UHFFFAOYSA-N 1 2 388.946 2.386 20 0 GEADLO C[C@@H]1C[NH+](C[C@H](O)CSc2nnc(NCc3ccco3)s2)C[C@@H](C)O1 ZINC000066481738 642915530 /nfs/dbraw/zinc/91/55/30/642915530.db2.gz BPQTWHLOHZTIFX-UPJWGTAASA-N 1 2 384.527 2.305 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N(CC(F)F)CC1CCC1 ZINC000536376673 650801589 /nfs/dbraw/zinc/80/15/89/650801589.db2.gz BCXQFEPPXBXBKL-KRWDZBQOSA-N 1 2 377.501 2.271 20 0 GEADLO CCNC(=O)NC(=O)[C@H](C)[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000494147007 650801926 /nfs/dbraw/zinc/80/19/26/650801926.db2.gz XJWPGLWNRSTAGC-JTQLQIEISA-N 1 2 392.319 2.193 20 0 GEADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCOC)Cc1cc(Br)cs1 ZINC000494147007 650801927 /nfs/dbraw/zinc/80/19/27/650801927.db2.gz XJWPGLWNRSTAGC-JTQLQIEISA-N 1 2 392.319 2.193 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000067927513 642980867 /nfs/dbraw/zinc/98/08/67/642980867.db2.gz RSPHPWDYYOZICV-NEPJUHHUSA-N 1 2 387.267 2.318 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000068507011 643004034 /nfs/dbraw/zinc/00/40/34/643004034.db2.gz YXJSNDUUGGTBCH-IRXDYDNUSA-N 1 2 384.929 2.069 20 0 GEADLO C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1Cl ZINC000069039654 643018906 /nfs/dbraw/zinc/01/89/06/643018906.db2.gz HGSHUVGQJXACPH-ZDUSSCGKSA-N 1 2 387.933 2.209 20 0 GEADLO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069139948 643021097 /nfs/dbraw/zinc/02/10/97/643021097.db2.gz JBKJDXACOLXXMA-GFCCVEGCSA-N 1 2 386.279 2.113 20 0 GEADLO O=C(c1ccc(Br)cc1O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069971078 643046490 /nfs/dbraw/zinc/04/64/90/643046490.db2.gz RAGAFOKBAWNGFN-ZDUSSCGKSA-N 1 2 383.286 2.339 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000494533504 650810503 /nfs/dbraw/zinc/81/05/03/650810503.db2.gz WKRHDTVEHCYKDB-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO Cc1ccsc1C[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000092423809 643070535 /nfs/dbraw/zinc/07/05/35/643070535.db2.gz KWCVVJUWKJMNAX-UHFFFAOYSA-N 1 2 376.507 2.439 20 0 GEADLO COc1ccc(OC(F)F)c(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000092530103 643071967 /nfs/dbraw/zinc/07/19/67/643071967.db2.gz GHAXJKDVGBJRQQ-UHFFFAOYSA-N 1 2 378.441 2.152 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccccc2Br)C1 ZINC000093796745 643080830 /nfs/dbraw/zinc/08/08/30/643080830.db2.gz QBKZOEMTCQOXIV-CYBMUJFWSA-N 1 2 391.331 2.230 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2Br)C1 ZINC000093796745 643080838 /nfs/dbraw/zinc/08/08/38/643080838.db2.gz QBKZOEMTCQOXIV-CYBMUJFWSA-N 1 2 391.331 2.230 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2cc(Br)cs2)CCO1 ZINC000494652052 650813719 /nfs/dbraw/zinc/81/37/19/650813719.db2.gz BXVPMQXQOKZXLW-GFCCVEGCSA-N 1 2 376.320 2.421 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(Br)cs2)CCO1 ZINC000494652052 650813720 /nfs/dbraw/zinc/81/37/20/650813720.db2.gz BXVPMQXQOKZXLW-GFCCVEGCSA-N 1 2 376.320 2.421 20 0 GEADLO O=C(Cc1cccc(Br)c1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000103100741 643153219 /nfs/dbraw/zinc/15/32/19/643153219.db2.gz LTLICTDDBDDSNU-UHFFFAOYSA-N 1 2 393.285 2.159 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cnc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000104599638 643186467 /nfs/dbraw/zinc/18/64/67/643186467.db2.gz OJFBQSUVZZUHRO-ZJUUUORDSA-N 1 2 376.682 2.337 20 0 GEADLO Cc1ccsc1S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000537657693 650820262 /nfs/dbraw/zinc/82/02/62/650820262.db2.gz SGSLOGYSBFWVEC-IRXDYDNUSA-N 1 2 380.535 2.218 20 0 GEADLO Cc1ccsc1S(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000537657693 650820263 /nfs/dbraw/zinc/82/02/63/650820263.db2.gz SGSLOGYSBFWVEC-IRXDYDNUSA-N 1 2 380.535 2.218 20 0 GEADLO CCOc1cccc(C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)c1OC(F)F ZINC000537658790 650820312 /nfs/dbraw/zinc/82/03/12/650820312.db2.gz PIPWLGXDOYQNBF-ZDUSSCGKSA-N 1 2 378.441 2.200 20 0 GEADLO CCOc1cccc(C[N@H+]2CCC[C@H]2CS(=O)(=O)NC)c1OC(F)F ZINC000537658790 650820314 /nfs/dbraw/zinc/82/03/14/650820314.db2.gz PIPWLGXDOYQNBF-ZDUSSCGKSA-N 1 2 378.441 2.200 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000105168709 643200660 /nfs/dbraw/zinc/20/06/60/643200660.db2.gz XLCIVAYUZZMCMB-UHFFFAOYSA-N 1 2 388.281 2.104 20 0 GEADLO CN(C)C(=O)c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000105400778 643205474 /nfs/dbraw/zinc/20/54/74/643205474.db2.gz PFMQVFUUPLHRAA-INIZCTEOSA-N 1 2 390.281 2.467 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CCc1ccc(Br)cc1 ZINC000106584325 643235102 /nfs/dbraw/zinc/23/51/02/643235102.db2.gz VEZRKMOBZMMNKK-HNNXBMFYSA-N 1 2 397.361 2.269 20 0 GEADLO Cc1cc([C@@H](C)NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C)s1 ZINC000109355716 643294277 /nfs/dbraw/zinc/29/42/77/643294277.db2.gz WUCSTYJDHZGBLL-CYBMUJFWSA-N 1 2 387.571 2.234 20 0 GEADLO CC(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000110266297 643309176 /nfs/dbraw/zinc/30/91/76/643309176.db2.gz ZZBPMNUJSGNBRK-CYBMUJFWSA-N 1 2 397.317 2.267 20 0 GEADLO CC(C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000110266297 643309178 /nfs/dbraw/zinc/30/91/78/643309178.db2.gz ZZBPMNUJSGNBRK-CYBMUJFWSA-N 1 2 397.317 2.267 20 0 GEADLO CC[C@H](Sc1ccccc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000110846040 643321034 /nfs/dbraw/zinc/32/10/34/643321034.db2.gz SAUCERSWOZAXOJ-KRWDZBQOSA-N 1 2 384.567 2.183 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000110921469 643322729 /nfs/dbraw/zinc/32/27/29/643322729.db2.gz QOPCHHIHRZURPO-UHFFFAOYSA-N 1 2 399.285 2.015 20 0 GEADLO O=C(NC1CC[NH+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC1)c1ccsc1 ZINC000111206464 643329270 /nfs/dbraw/zinc/32/92/70/643329270.db2.gz CHSSVYKVKPVLRG-CYBMUJFWSA-N 1 2 375.416 2.106 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)c3cccnc3)CC2)cs1 ZINC000111357889 643337813 /nfs/dbraw/zinc/33/78/13/643337813.db2.gz ALLGYEHKXNCKTR-UHFFFAOYSA-N 1 2 380.539 2.291 20 0 GEADLO CC(C)(CNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000111433557 643339974 /nfs/dbraw/zinc/33/99/74/643339974.db2.gz YIQNKSYAPMVTTO-HNNXBMFYSA-N 1 2 390.311 2.437 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000497049934 650832067 /nfs/dbraw/zinc/83/20/67/650832067.db2.gz LSTISYDRILUSAT-NSHDSACASA-N 1 2 386.279 2.240 20 0 GEADLO C[C@H](NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000111858386 643348824 /nfs/dbraw/zinc/34/88/24/643348824.db2.gz DIXIUNJPTOWIIY-MKBNYLNASA-N 1 2 390.311 2.435 20 0 GEADLO CCS(=O)(=O)C[C@H](C)N(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000113580601 643400245 /nfs/dbraw/zinc/40/02/45/643400245.db2.gz KKYLADTYMLHYGX-LSDHHAIUSA-N 1 2 387.571 2.350 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000115699344 643445391 /nfs/dbraw/zinc/44/53/91/643445391.db2.gz UDRRHRMWWVARFH-CQSZACIVSA-N 1 2 387.571 2.177 20 0 GEADLO C[C@H](NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000118577238 643516070 /nfs/dbraw/zinc/51/60/70/643516070.db2.gz UWXKVAIICOQUMO-MKBNYLNASA-N 1 2 390.311 2.435 20 0 GEADLO O=S(=O)(c1ccc(C[NH2+]Cc2ccc(Cl)o2)s1)N1CCOCC1 ZINC000539712665 650848422 /nfs/dbraw/zinc/84/84/22/650848422.db2.gz JDUIOFORLRKBCB-UHFFFAOYSA-N 1 2 376.887 2.305 20 0 GEADLO O=C(CSCc1cscn1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000124909100 643692843 /nfs/dbraw/zinc/69/28/43/643692843.db2.gz YHVOQAHNIJWQOK-QGZVFWFLSA-N 1 2 377.535 2.394 20 0 GEADLO O=C(CSCc1cscn1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000124909100 643692847 /nfs/dbraw/zinc/69/28/47/643692847.db2.gz YHVOQAHNIJWQOK-QGZVFWFLSA-N 1 2 377.535 2.394 20 0 GEADLO CN(C)C(=O)N1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000127029986 643755844 /nfs/dbraw/zinc/75/58/44/643755844.db2.gz WVRDTWQZOSKCGN-GFCCVEGCSA-N 1 2 376.284 2.032 20 0 GEADLO O[C@H](COC1CCOCC1)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000127381022 643774351 /nfs/dbraw/zinc/77/43/51/643774351.db2.gz SPVNCDCKXBVKSA-AWEZNQCLSA-N 1 2 390.311 2.067 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCS2)[C@@H]1c1ccc(Cl)cc1 ZINC000498825617 650866359 /nfs/dbraw/zinc/86/63/59/650866359.db2.gz ABQITZAHXIMVDL-JYJNAYRXSA-N 1 2 381.929 2.213 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCS2)[C@@H]1c1ccc(Cl)cc1 ZINC000498825617 650866362 /nfs/dbraw/zinc/86/63/62/650866362.db2.gz ABQITZAHXIMVDL-JYJNAYRXSA-N 1 2 381.929 2.213 20 0 GEADLO CC(=O)[C@@H](NC(=O)C[NH2+][C@@H](CCO)c1ccccc1Br)C(C)C ZINC000541022555 650868905 /nfs/dbraw/zinc/86/89/05/650868905.db2.gz IHHICGLZIVWTPI-RDJZCZTQSA-N 1 2 385.302 2.192 20 0 GEADLO CNC(=O)Cc1nc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cs1 ZINC000541051982 650869912 /nfs/dbraw/zinc/86/99/12/650869912.db2.gz QSFBSMDFUHMDBH-CYBMUJFWSA-N 1 2 384.299 2.017 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](Cc3ccc(-c4cccc(Br)c4)o3)C[C@H]12 ZINC000499228783 650876324 /nfs/dbraw/zinc/87/63/24/650876324.db2.gz NONTUTDSEVZWGZ-CQSZACIVSA-N 1 2 390.237 2.445 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](Cc3ccc(-c4cccc(Br)c4)o3)C[C@H]12 ZINC000499228783 650876327 /nfs/dbraw/zinc/87/63/27/650876327.db2.gz NONTUTDSEVZWGZ-CQSZACIVSA-N 1 2 390.237 2.445 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(Cn2ncn(C)c2=O)CC1 ZINC000132415004 643882493 /nfs/dbraw/zinc/88/24/93/643882493.db2.gz WKVNGRNFJJOATN-MRXNPFEDSA-N 1 2 394.317 2.071 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)[NH+]1CCSCC1 ZINC000151362065 643939504 /nfs/dbraw/zinc/93/95/04/643939504.db2.gz VYCSEFYQZHPURX-NSHDSACASA-N 1 2 375.416 2.355 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000151910797 643960437 /nfs/dbraw/zinc/96/04/37/643960437.db2.gz NBPKEWOKVAMADA-LBPRGKRZSA-N 1 2 391.269 2.271 20 0 GEADLO C[C@H](CNC(=O)CSc1nnc(-c2cccs2)n1C)Cn1cc[nH+]c1 ZINC000153576420 643994434 /nfs/dbraw/zinc/99/44/34/643994434.db2.gz FTBVOOVWRZCXQH-GFCCVEGCSA-N 1 2 376.511 2.285 20 0 GEADLO C[C@H](Cc1ccccc1Cl)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000154022933 644015343 /nfs/dbraw/zinc/01/53/43/644015343.db2.gz DOOHLIYSDQFYKO-CQSZACIVSA-N 1 2 386.945 2.144 20 0 GEADLO Cc1c2cccc(Br)c2oc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000542106787 650887020 /nfs/dbraw/zinc/88/70/20/650887020.db2.gz PFMRFZBIIXCGJN-GFCCVEGCSA-N 1 2 378.270 2.233 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[NH2+]C(C)(C)c2nc(C)c(C)s2)n1 ZINC000156728416 644114355 /nfs/dbraw/zinc/11/43/55/644114355.db2.gz CLUPSEAUVQWTRG-UHFFFAOYSA-N 1 2 382.511 2.395 20 0 GEADLO CS(=O)(=O)CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C1CC1 ZINC000156768053 644116588 /nfs/dbraw/zinc/11/65/88/644116588.db2.gz GFLGIYYSDBUAPR-ZDUSSCGKSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)CC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C1CC1 ZINC000156768053 644116591 /nfs/dbraw/zinc/11/65/91/644116591.db2.gz GFLGIYYSDBUAPR-ZDUSSCGKSA-N 1 2 382.309 2.242 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCc2ccc(Br)cc2)c(N(C)C)[nH+]1 ZINC000156829009 644119952 /nfs/dbraw/zinc/11/99/52/644119952.db2.gz BOMMHHPAVDXHKR-UHFFFAOYSA-N 1 2 391.269 2.473 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)N(CCS(C)(=O)=O)C(C)C)cn2c1 ZINC000156924952 644124517 /nfs/dbraw/zinc/12/45/17/644124517.db2.gz URGGROAGYUPJMB-UHFFFAOYSA-N 1 2 383.539 2.158 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000157030154 644126694 /nfs/dbraw/zinc/12/66/94/644126694.db2.gz HEQMQWQAWXWSIF-IAGOWNOFSA-N 1 2 396.329 2.162 20 0 GEADLO O=c1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)nc2sccn21 ZINC000542908113 650894359 /nfs/dbraw/zinc/89/43/59/650894359.db2.gz CSJUGCJFGAPWEC-ZDUSSCGKSA-N 1 2 380.267 2.342 20 0 GEADLO O=C1NCCN1C1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000158727459 644156711 /nfs/dbraw/zinc/15/67/11/644156711.db2.gz HSYXJQBJHYSIFF-UHFFFAOYSA-N 1 2 378.274 2.315 20 0 GEADLO C[C@@H]1C[N@H+](CCN2CCN(Cc3ccc(Br)cc3)CC2)CCO1 ZINC000500119796 650897069 /nfs/dbraw/zinc/89/70/69/650897069.db2.gz BHXUVAUUASFRQY-MRXNPFEDSA-N 1 2 382.346 2.287 20 0 GEADLO C[C@@H]1C[N@@H+](CCN2CCN(Cc3ccc(Br)cc3)CC2)CCO1 ZINC000500119796 650897072 /nfs/dbraw/zinc/89/70/72/650897072.db2.gz BHXUVAUUASFRQY-MRXNPFEDSA-N 1 2 382.346 2.287 20 0 GEADLO O=C(NCCn1cc[nH+]c1)c1cc(F)c(F)cc1I ZINC000159028640 644173054 /nfs/dbraw/zinc/17/30/54/644173054.db2.gz ZUKJWLBOQSEKKB-UHFFFAOYSA-N 1 2 377.132 2.196 20 0 GEADLO COC(=O)[C@H](C)C[N@H+](Cc1nnnn1-c1ccccc1Br)C1CC1 ZINC000170820306 644289485 /nfs/dbraw/zinc/28/94/85/644289485.db2.gz CMCFMEHQXWHOMA-LLVKDONJSA-N 1 2 394.273 2.198 20 0 GEADLO COC(=O)[C@H](C)C[N@@H+](Cc1nnnn1-c1ccccc1Br)C1CC1 ZINC000170820306 644289487 /nfs/dbraw/zinc/28/94/87/644289487.db2.gz CMCFMEHQXWHOMA-LLVKDONJSA-N 1 2 394.273 2.198 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000170861109 644293165 /nfs/dbraw/zinc/29/31/65/644293165.db2.gz IIRPGFJDQWBUFY-UHFFFAOYSA-N 1 2 385.258 2.018 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000170861109 644293168 /nfs/dbraw/zinc/29/31/68/644293168.db2.gz IIRPGFJDQWBUFY-UHFFFAOYSA-N 1 2 385.258 2.018 20 0 GEADLO Cc1ccc(OCCC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)c(Br)c1 ZINC000171133820 644313605 /nfs/dbraw/zinc/31/36/05/644313605.db2.gz DIHGZFVLTMJXKV-OAHLLOKOSA-N 1 2 398.345 2.279 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1csc(I)c1 ZINC000171604303 644329720 /nfs/dbraw/zinc/32/97/20/644329720.db2.gz XVOVOTYKRGONBB-UHFFFAOYSA-N 1 2 394.278 2.193 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1csc(I)c1 ZINC000171604303 644329729 /nfs/dbraw/zinc/32/97/29/644329729.db2.gz XVOVOTYKRGONBB-UHFFFAOYSA-N 1 2 394.278 2.193 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000171639052 644331310 /nfs/dbraw/zinc/33/13/10/644331310.db2.gz HWHFEBQRLMQVFU-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO CCc1nsc(N2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)n1 ZINC000174804123 644383686 /nfs/dbraw/zinc/38/36/86/644383686.db2.gz LFTZNBXNAOGXAH-AWEZNQCLSA-N 1 2 382.917 2.316 20 0 GEADLO CCc1nsc(N2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)n1 ZINC000174804133 644383729 /nfs/dbraw/zinc/38/37/29/644383729.db2.gz LFTZNBXNAOGXAH-CQSZACIVSA-N 1 2 382.917 2.316 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)cn1 ZINC000543690399 650919901 /nfs/dbraw/zinc/91/99/01/650919901.db2.gz MXWOKUCYFGDCEP-UHFFFAOYSA-N 1 2 375.328 2.021 20 0 GEADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179683168 644467244 /nfs/dbraw/zinc/46/72/44/644467244.db2.gz FUQRVKQRWBEEKS-GHMZBOCLSA-N 1 2 392.315 2.474 20 0 GEADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179683168 644467248 /nfs/dbraw/zinc/46/72/48/644467248.db2.gz FUQRVKQRWBEEKS-GHMZBOCLSA-N 1 2 392.315 2.474 20 0 GEADLO C[C@@H](CN1CCOCC1)[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000180564338 644507203 /nfs/dbraw/zinc/50/72/03/644507203.db2.gz GBUURLLXGIWARJ-AWEZNQCLSA-N 1 2 386.323 2.472 20 0 GEADLO CS[C@@H](CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(C)(C)C ZINC000544138426 650935734 /nfs/dbraw/zinc/93/57/34/650935734.db2.gz LLZUYHIIMLPFBD-YOEHRIQHSA-N 1 2 375.604 2.271 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c1 ZINC000544835746 650955278 /nfs/dbraw/zinc/95/52/78/650955278.db2.gz JBVQYBFNJNDYQD-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c1 ZINC000544835746 650955281 /nfs/dbraw/zinc/95/52/81/650955281.db2.gz JBVQYBFNJNDYQD-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3C[C@]34CCOC4)[nH+]c12 ZINC000545184614 650964210 /nfs/dbraw/zinc/96/42/10/650964210.db2.gz ZYCBPQKOQMNLFY-YOEHRIQHSA-N 1 2 378.270 2.491 20 0 GEADLO CCCn1cc(C[N@@H+]2CCCN(S(=O)(=O)[C@@H](C)C(F)(F)F)CC2)cn1 ZINC000184565712 645020358 /nfs/dbraw/zinc/02/03/58/645020358.db2.gz PLUUBOZGSCJOJG-ZDUSSCGKSA-N 1 2 382.452 2.081 20 0 GEADLO CCCn1cc(C[N@H+]2CCCN(S(=O)(=O)[C@@H](C)C(F)(F)F)CC2)cn1 ZINC000184565712 645020363 /nfs/dbraw/zinc/02/03/63/645020363.db2.gz PLUUBOZGSCJOJG-ZDUSSCGKSA-N 1 2 382.452 2.081 20 0 GEADLO Cc1cc(Br)cn2cc(CCNS(=O)(=O)c3cccnc3)[nH+]c12 ZINC000545367559 650971774 /nfs/dbraw/zinc/97/17/74/650971774.db2.gz MHLRHOCMOWBYPL-UHFFFAOYSA-N 1 2 395.282 2.321 20 0 GEADLO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000186168782 645061784 /nfs/dbraw/zinc/06/17/84/645061784.db2.gz LQRBCBUCVYFZAE-GXSJLCMTSA-N 1 2 395.294 2.368 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000545558359 650978837 /nfs/dbraw/zinc/97/88/37/650978837.db2.gz SKKPCYSGPKRQGX-CYBMUJFWSA-N 1 2 396.285 2.256 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000545558359 650978840 /nfs/dbraw/zinc/97/88/40/650978840.db2.gz SKKPCYSGPKRQGX-CYBMUJFWSA-N 1 2 396.285 2.256 20 0 GEADLO O=C(CN1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1)Nc1ccccc1Cl ZINC000188614767 645121638 /nfs/dbraw/zinc/12/16/38/645121638.db2.gz FSXIPOHUHRNJMX-LBPRGKRZSA-N 1 2 379.810 2.209 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000190368370 645153670 /nfs/dbraw/zinc/15/36/70/645153670.db2.gz DAPZXORISKZVCD-HIFRSBDPSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000190368370 645153674 /nfs/dbraw/zinc/15/36/74/645153674.db2.gz DAPZXORISKZVCD-HIFRSBDPSA-N 1 2 376.469 2.398 20 0 GEADLO C[C@H](CNC(=O)c1ccc(I)c(O)c1)Cn1cc[nH+]c1 ZINC000545506045 650977549 /nfs/dbraw/zinc/97/75/49/650977549.db2.gz FQNAXPHLLZFTFJ-SNVBAGLBSA-N 1 2 385.205 2.259 20 0 GEADLO CC[NH+](CC)[C@H](CNS(=O)(=O)[C@H](C)C(=O)N(C)C)c1ccccc1Cl ZINC000192006187 645190258 /nfs/dbraw/zinc/19/02/58/645190258.db2.gz NCDATEXWKSUXTH-CZUORRHYSA-N 1 2 389.949 2.119 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)ccc1Br ZINC000546210361 650995577 /nfs/dbraw/zinc/99/55/77/650995577.db2.gz PIZIUEFQQPCRBA-AWEZNQCLSA-N 1 2 395.301 2.232 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)ccc1Br ZINC000546210361 650995584 /nfs/dbraw/zinc/99/55/84/650995584.db2.gz PIZIUEFQQPCRBA-AWEZNQCLSA-N 1 2 395.301 2.232 20 0 GEADLO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000193550654 645281982 /nfs/dbraw/zinc/28/19/82/645281982.db2.gz LZFDBHRZXZCWEN-WCQYABFASA-N 1 2 392.257 2.089 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000195475256 645381724 /nfs/dbraw/zinc/38/17/24/645381724.db2.gz NWVMDJBWYFWLKM-HNNXBMFYSA-N 1 2 379.258 2.429 20 0 GEADLO Oc1c(Br)cc(C[NH2+]C[C@H]2COCCO2)cc1Br ZINC000225632762 645389277 /nfs/dbraw/zinc/38/92/77/645389277.db2.gz CRHLHMJYIMELBK-VIFPVBQESA-N 1 2 381.064 2.422 20 0 GEADLO COc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)sc1Br ZINC000245612103 645461605 /nfs/dbraw/zinc/46/16/05/645461605.db2.gz BTWQZMGFLFAYNX-ZJUUUORDSA-N 1 2 377.304 2.046 20 0 GEADLO COc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)sc1Br ZINC000245612103 645461612 /nfs/dbraw/zinc/46/16/12/645461612.db2.gz BTWQZMGFLFAYNX-ZJUUUORDSA-N 1 2 377.304 2.046 20 0 GEADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000245598011 645461861 /nfs/dbraw/zinc/46/18/61/645461861.db2.gz HZNVYFHBMDHSPU-WQVCFCJDSA-N 1 2 383.286 2.068 20 0 GEADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000245598011 645461865 /nfs/dbraw/zinc/46/18/65/645461865.db2.gz HZNVYFHBMDHSPU-WQVCFCJDSA-N 1 2 383.286 2.068 20 0 GEADLO CC[N@@H+]1CC[C@@H](NC(=O)CN2CSCC2=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245624476 645462593 /nfs/dbraw/zinc/46/25/93/645462593.db2.gz XWUCDUIVFBVTIH-RHSMWYFYSA-N 1 2 385.892 2.264 20 0 GEADLO CC[N@H+]1CC[C@@H](NC(=O)CN2CSCC2=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245624476 645462598 /nfs/dbraw/zinc/46/25/98/645462598.db2.gz XWUCDUIVFBVTIH-RHSMWYFYSA-N 1 2 385.892 2.264 20 0 GEADLO C[C@H](NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000246444424 645484700 /nfs/dbraw/zinc/48/47/00/645484700.db2.gz UWXKVAIICOQUMO-MQIPJXDCSA-N 1 2 390.311 2.435 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246603733 645486740 /nfs/dbraw/zinc/48/67/40/645486740.db2.gz BOZIMULBMRKPPJ-IHRRRGAJSA-N 1 2 385.302 2.442 20 0 GEADLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccnn1Cc1cccs1 ZINC000246710776 645489559 /nfs/dbraw/zinc/48/95/59/645489559.db2.gz FFWFTXUFBNBRJB-HUUCEWRRSA-N 1 2 378.523 2.138 20 0 GEADLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccnn1Cc1cccs1 ZINC000246710776 645489565 /nfs/dbraw/zinc/48/95/65/645489565.db2.gz FFWFTXUFBNBRJB-HUUCEWRRSA-N 1 2 378.523 2.138 20 0 GEADLO CC[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CC[N@@H+]1C[C@H](C)O ZINC000246780411 645493829 /nfs/dbraw/zinc/49/38/29/645493829.db2.gz ISKZGYNGGXJTPY-WCQYABFASA-N 1 2 395.301 2.243 20 0 GEADLO CC[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CC[N@H+]1C[C@H](C)O ZINC000246780411 645493833 /nfs/dbraw/zinc/49/38/33/645493833.db2.gz ISKZGYNGGXJTPY-WCQYABFASA-N 1 2 395.301 2.243 20 0 GEADLO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cnc1Cl ZINC000247173981 645506471 /nfs/dbraw/zinc/50/64/71/645506471.db2.gz RHICMNLJUVOZLI-SOUVJXGZSA-N 1 2 387.933 2.306 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000248940262 645543595 /nfs/dbraw/zinc/54/35/95/645543595.db2.gz NXAZLWPVGUNLKV-RNCFNFMXSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000248940262 645543598 /nfs/dbraw/zinc/54/35/98/645543598.db2.gz NXAZLWPVGUNLKV-RNCFNFMXSA-N 1 2 375.252 2.421 20 0 GEADLO CS(=O)(=O)c1ccc(OCCC[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264608963 645696253 /nfs/dbraw/zinc/69/62/53/645696253.db2.gz DWGTUEWQQXUJED-LSDHHAIUSA-N 1 2 381.416 2.247 20 0 GEADLO CS(=O)(=O)c1ccc(OCCC[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264608963 645696259 /nfs/dbraw/zinc/69/62/59/645696259.db2.gz DWGTUEWQQXUJED-LSDHHAIUSA-N 1 2 381.416 2.247 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)CCCCOc2ccc(Br)cc2)C1 ZINC000264717514 645706427 /nfs/dbraw/zinc/70/64/27/645706427.db2.gz GWETWRPMIYUJMT-MRXNPFEDSA-N 1 2 398.345 2.360 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCCCOc2ccc(Br)cc2)C1 ZINC000264717514 645706432 /nfs/dbraw/zinc/70/64/32/645706432.db2.gz GWETWRPMIYUJMT-MRXNPFEDSA-N 1 2 398.345 2.360 20 0 GEADLO Cc1nonc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000265069907 645739439 /nfs/dbraw/zinc/73/94/39/645739439.db2.gz WDCGHTHAPJXVBL-LLVKDONJSA-N 1 2 380.246 2.386 20 0 GEADLO Cc1nonc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000265069907 645739456 /nfs/dbraw/zinc/73/94/56/645739456.db2.gz WDCGHTHAPJXVBL-LLVKDONJSA-N 1 2 380.246 2.386 20 0 GEADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1coc(Br)c1 ZINC000265462890 645761101 /nfs/dbraw/zinc/76/11/01/645761101.db2.gz NOQZUPMWXYOJSU-CYBMUJFWSA-N 1 2 393.285 2.378 20 0 GEADLO CN(C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000547857904 651048166 /nfs/dbraw/zinc/04/81/66/651048166.db2.gz URCSLVJHLJYHRQ-SWLSCSKDSA-N 1 2 383.901 2.047 20 0 GEADLO CN(C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000547857904 651048170 /nfs/dbraw/zinc/04/81/70/651048170.db2.gz URCSLVJHLJYHRQ-SWLSCSKDSA-N 1 2 383.901 2.047 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000266759699 645862554 /nfs/dbraw/zinc/86/25/54/645862554.db2.gz SOPRCBPJTPZACW-CQSZACIVSA-N 1 2 387.885 2.157 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000266759699 645862555 /nfs/dbraw/zinc/86/25/55/645862555.db2.gz SOPRCBPJTPZACW-CQSZACIVSA-N 1 2 387.885 2.157 20 0 GEADLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc(C(N)=O)nn2)CC1 ZINC000266769237 645863223 /nfs/dbraw/zinc/86/32/23/645863223.db2.gz XQVZDRXEADSFKJ-LBPRGKRZSA-N 1 2 390.285 2.221 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000267083620 645879662 /nfs/dbraw/zinc/87/96/62/645879662.db2.gz COMYLTXVCYIJTO-NSHDSACASA-N 1 2 377.242 2.150 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000267090329 645880829 /nfs/dbraw/zinc/88/08/29/645880829.db2.gz LZBXWBVFZUAWMM-ZDUSSCGKSA-N 1 2 377.242 2.150 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000267123694 645884886 /nfs/dbraw/zinc/88/48/86/645884886.db2.gz UQOSCBIEXGUBNT-UHFFFAOYSA-N 1 2 383.221 2.056 20 0 GEADLO O=C(CSc1n[nH]c(=S)s1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000267936311 645936785 /nfs/dbraw/zinc/93/67/85/645936785.db2.gz XZNUCEGQBHESNX-UHFFFAOYSA-N 1 2 382.536 2.390 20 0 GEADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000268026347 645940631 /nfs/dbraw/zinc/94/06/31/645940631.db2.gz COMLZEYPAMKHIK-LBPRGKRZSA-N 1 2 383.857 2.418 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000268215749 645953926 /nfs/dbraw/zinc/95/39/26/645953926.db2.gz VJKNTHGCEFQKCX-LLVKDONJSA-N 1 2 383.857 2.418 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)NCCCn2cc[nH+]c2)c(Br)c1 ZINC000269328479 646026605 /nfs/dbraw/zinc/02/66/05/646026605.db2.gz QMWNSOIFOZSDOH-UHFFFAOYSA-N 1 2 379.258 2.407 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cnc2ccsc2c1 ZINC000269768471 646053772 /nfs/dbraw/zinc/05/37/72/646053772.db2.gz OCKIZNKMYZAYGY-UHFFFAOYSA-N 1 2 383.539 2.275 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c(F)c1Cl ZINC000271064540 646169741 /nfs/dbraw/zinc/16/97/41/646169741.db2.gz UDEYZOLJTBXTFK-UHFFFAOYSA-N 1 2 395.859 2.291 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c(F)c1Cl ZINC000271064540 646169746 /nfs/dbraw/zinc/16/97/46/646169746.db2.gz UDEYZOLJTBXTFK-UHFFFAOYSA-N 1 2 395.859 2.291 20 0 GEADLO COc1ccc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c(Cl)c1OC ZINC000271085895 646172059 /nfs/dbraw/zinc/17/20/59/646172059.db2.gz TZEHQMDJFVGPRC-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO COc1ccc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c(Cl)c1OC ZINC000271085895 646172064 /nfs/dbraw/zinc/17/20/64/646172064.db2.gz TZEHQMDJFVGPRC-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CNCC(F)(F)F)[nH+]c12 ZINC000273388841 646314510 /nfs/dbraw/zinc/31/45/10/646314510.db2.gz KEVIYHZBVWFWNO-UHFFFAOYSA-N 1 2 393.207 2.216 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000277254785 646394338 /nfs/dbraw/zinc/39/43/38/646394338.db2.gz PYAXNHSBLYNVRY-UHFFFAOYSA-N 1 2 376.259 2.417 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000277254785 646394346 /nfs/dbraw/zinc/39/43/46/646394346.db2.gz PYAXNHSBLYNVRY-UHFFFAOYSA-N 1 2 376.259 2.417 20 0 GEADLO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277621035 646452654 /nfs/dbraw/zinc/45/26/54/646452654.db2.gz AISDZUHOQINMHH-IUODEOHRSA-N 1 2 381.416 2.104 20 0 GEADLO CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277621035 646452662 /nfs/dbraw/zinc/45/26/62/646452662.db2.gz AISDZUHOQINMHH-IUODEOHRSA-N 1 2 381.416 2.104 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277856261 646478745 /nfs/dbraw/zinc/47/87/45/646478745.db2.gz TWDDKOCMRWBHQX-UKRRQHHQSA-N 1 2 380.432 2.072 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277856261 646478749 /nfs/dbraw/zinc/47/87/49/646478749.db2.gz TWDDKOCMRWBHQX-UKRRQHHQSA-N 1 2 380.432 2.072 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000278474459 646523543 /nfs/dbraw/zinc/52/35/43/646523543.db2.gz JAKSKPMARDXNHA-CQSZACIVSA-N 1 2 378.274 2.224 20 0 GEADLO COc1ccc(CN2CC[C@H]([NH2+]Cc3c(Br)cnn3C)C2=O)cc1 ZINC000278477908 646523861 /nfs/dbraw/zinc/52/38/61/646523861.db2.gz KIRYUDNSLQEKKJ-HNNXBMFYSA-N 1 2 393.285 2.082 20 0 GEADLO Cc1c(Br)ccc(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)c1F ZINC000278744219 646544706 /nfs/dbraw/zinc/54/47/06/646544706.db2.gz AJLUMLZRHSCYLS-SECBINFHSA-N 1 2 383.221 2.237 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000278788503 646549196 /nfs/dbraw/zinc/54/91/96/646549196.db2.gz DRWHKADJZDBVQQ-CQSZACIVSA-N 1 2 386.901 2.111 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000278788503 646549202 /nfs/dbraw/zinc/54/92/02/646549202.db2.gz DRWHKADJZDBVQQ-CQSZACIVSA-N 1 2 386.901 2.111 20 0 GEADLO CN(C)C(=O)CC[NH+]1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000278848169 646557151 /nfs/dbraw/zinc/55/71/51/646557151.db2.gz XCRNUMFPYOWMBG-UHFFFAOYSA-N 1 2 375.698 2.098 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCCCCO)[nH+]c12 ZINC000279245217 646586953 /nfs/dbraw/zinc/58/69/53/646586953.db2.gz HKYPAUBQWCXBEF-UHFFFAOYSA-N 1 2 383.290 2.410 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000279344537 646593035 /nfs/dbraw/zinc/59/30/35/646593035.db2.gz QIQXMEWIQPVSFL-UHFFFAOYSA-N 1 2 385.306 2.232 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000279344537 646593042 /nfs/dbraw/zinc/59/30/42/646593042.db2.gz QIQXMEWIQPVSFL-UHFFFAOYSA-N 1 2 385.306 2.232 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000279357014 646594669 /nfs/dbraw/zinc/59/46/69/646594669.db2.gz RKFJYPOUMZCBIR-GFCCVEGCSA-N 1 2 385.295 2.363 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000279447908 646602882 /nfs/dbraw/zinc/60/28/82/646602882.db2.gz PURPWFRGEXIDTI-ZDUSSCGKSA-N 1 2 378.416 2.427 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000279447908 646602884 /nfs/dbraw/zinc/60/28/84/646602884.db2.gz PURPWFRGEXIDTI-ZDUSSCGKSA-N 1 2 378.416 2.427 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cc(F)ccc1Br ZINC000279579825 646613525 /nfs/dbraw/zinc/61/35/25/646613525.db2.gz UKPHDEGLFPMWJM-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1c(F)ccc(C)c1Br ZINC000279767338 646625404 /nfs/dbraw/zinc/62/54/04/646625404.db2.gz FQLZYZQGESHSMJ-NSHDSACASA-N 1 2 384.205 2.134 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1c(F)ccc(C)c1Br ZINC000279767338 646625406 /nfs/dbraw/zinc/62/54/06/646625406.db2.gz FQLZYZQGESHSMJ-NSHDSACASA-N 1 2 384.205 2.134 20 0 GEADLO CC(C)(CNC(=O)c1c[nH]c2ncc(Br)cc12)[NH+]1CCOCC1 ZINC000279982292 646642329 /nfs/dbraw/zinc/64/23/29/646642329.db2.gz ODCMKKAXOFZANJ-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000280163495 646657900 /nfs/dbraw/zinc/65/79/00/646657900.db2.gz BZLUCYRNKRASCV-UHFFFAOYSA-N 1 2 382.511 2.285 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C1(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000280442115 646682431 /nfs/dbraw/zinc/68/24/31/646682431.db2.gz YXBHBQBEJWOOEH-CYBMUJFWSA-N 1 2 378.416 2.002 20 0 GEADLO O=C(c1c[nH]c2ncc(Br)cc12)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000280468651 646685182 /nfs/dbraw/zinc/68/51/82/646685182.db2.gz TUFYQEABPULMGT-ZDUSSCGKSA-N 1 2 393.285 2.262 20 0 GEADLO CC(C)OC[C@@H](O)C[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280718785 646709669 /nfs/dbraw/zinc/70/96/69/646709669.db2.gz JYSGSVQNBNSHGA-INIZCTEOSA-N 1 2 383.290 2.248 20 0 GEADLO CC(C)OC[C@@H](O)C[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280718785 646709672 /nfs/dbraw/zinc/70/96/72/646709672.db2.gz JYSGSVQNBNSHGA-INIZCTEOSA-N 1 2 383.290 2.248 20 0 GEADLO Cn1ncc(Br)c1C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000280752756 646712807 /nfs/dbraw/zinc/71/28/07/646712807.db2.gz DWNMHAUWQDUTCC-TXEJJXNPSA-N 1 2 385.306 2.481 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000280752756 646712815 /nfs/dbraw/zinc/71/28/15/646712815.db2.gz DWNMHAUWQDUTCC-TXEJJXNPSA-N 1 2 385.306 2.481 20 0 GEADLO O=C1N[C@H]2C[N@H+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@@H]2CO1 ZINC000281386030 646766821 /nfs/dbraw/zinc/76/68/21/646766821.db2.gz WNXSQHMRPLEUKK-YPMHNXCESA-N 1 2 383.242 2.151 20 0 GEADLO O=C1N[C@H]2C[N@@H+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@@H]2CO1 ZINC000281386030 646766822 /nfs/dbraw/zinc/76/68/22/646766822.db2.gz WNXSQHMRPLEUKK-YPMHNXCESA-N 1 2 383.242 2.151 20 0 GEADLO O=C(Cn1cc[nH+]c1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000281483194 646773946 /nfs/dbraw/zinc/77/39/46/646773946.db2.gz GUTNIAZGEZNLJC-UHFFFAOYSA-N 1 2 381.249 2.129 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000281514949 646777687 /nfs/dbraw/zinc/77/76/87/646777687.db2.gz GYZNSNQSBTXEQN-CQSZACIVSA-N 1 2 377.242 2.027 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000281514949 646777694 /nfs/dbraw/zinc/77/76/94/646777694.db2.gz GYZNSNQSBTXEQN-CQSZACIVSA-N 1 2 377.242 2.027 20 0 GEADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)ccc1Br ZINC000285602149 646858679 /nfs/dbraw/zinc/85/86/79/646858679.db2.gz CMEGRZQETQFANW-DFBGVHRSSA-N 1 2 395.301 2.182 20 0 GEADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)ccc1Br ZINC000285602149 646858681 /nfs/dbraw/zinc/85/86/81/646858681.db2.gz CMEGRZQETQFANW-DFBGVHRSSA-N 1 2 395.301 2.182 20 0 GEADLO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCn2c[nH+]cc2C1 ZINC000291079796 647175978 /nfs/dbraw/zinc/17/59/78/647175978.db2.gz JQMONPWEMZMAKI-LBPRGKRZSA-N 1 2 389.253 2.041 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CSC[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000292167651 647183225 /nfs/dbraw/zinc/18/32/25/647183225.db2.gz WYTMKZSNFBIMBC-OAHLLOKOSA-N 1 2 376.869 2.094 20 0 GEADLO Cc1nnc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)[nH]1 ZINC000292525247 647197800 /nfs/dbraw/zinc/19/78/00/647197800.db2.gz OMSANGKBGKAMJK-LLVKDONJSA-N 1 2 379.262 2.121 20 0 GEADLO Cc1nnc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)[nH]1 ZINC000292525247 647197805 /nfs/dbraw/zinc/19/78/05/647197805.db2.gz OMSANGKBGKAMJK-LLVKDONJSA-N 1 2 379.262 2.121 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000293701381 647217303 /nfs/dbraw/zinc/21/73/03/647217303.db2.gz CUEOMSQJOLGYJH-AOOOYVTPSA-N 1 2 377.869 2.151 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000293701381 647217306 /nfs/dbraw/zinc/21/73/06/647217306.db2.gz CUEOMSQJOLGYJH-AOOOYVTPSA-N 1 2 377.869 2.151 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cccc(C(=O)OC)c2Cl)CC1 ZINC000294944626 647228160 /nfs/dbraw/zinc/22/81/60/647228160.db2.gz LVJLINWSSLFPHB-UHFFFAOYSA-N 1 2 388.917 2.373 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000296149085 647245108 /nfs/dbraw/zinc/24/51/08/647245108.db2.gz GRXICMPLKMIUNE-INIZCTEOSA-N 1 2 375.252 2.443 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000296149085 647245111 /nfs/dbraw/zinc/24/51/11/647245111.db2.gz GRXICMPLKMIUNE-INIZCTEOSA-N 1 2 375.252 2.443 20 0 GEADLO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000299381394 647273137 /nfs/dbraw/zinc/27/31/37/647273137.db2.gz MTYOXZDTEFQBSW-CYBMUJFWSA-N 1 2 385.555 2.091 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000308676828 647280609 /nfs/dbraw/zinc/28/06/09/647280609.db2.gz LIRALTVRSNYUEN-UHFFFAOYSA-N 1 2 386.246 2.198 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000308674514 647280824 /nfs/dbraw/zinc/28/08/24/647280824.db2.gz GXPMIWMRVIUOHG-UHFFFAOYSA-N 1 2 386.246 2.198 20 0 GEADLO COc1cc(Br)ccc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000322384464 647295742 /nfs/dbraw/zinc/29/57/42/647295742.db2.gz HWNJNBDVFAZKAO-AWEZNQCLSA-N 1 2 383.286 2.395 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)sc1Br ZINC000329106873 647317670 /nfs/dbraw/zinc/31/76/70/647317670.db2.gz DNYLIFLQXMLBKU-UHFFFAOYSA-N 1 2 394.360 2.463 20 0 GEADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCn2ncnc2C1 ZINC000329974775 647326954 /nfs/dbraw/zinc/32/69/54/647326954.db2.gz XSYZYIMWMGFNBI-INIZCTEOSA-N 1 2 390.285 2.220 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCSC(C)(C)C2)cc1S(=O)(=O)N(C)C ZINC000331252399 647373922 /nfs/dbraw/zinc/37/39/22/647373922.db2.gz UNWKCAAVLPWDIG-UHFFFAOYSA-N 1 2 385.555 2.011 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCSC(C)(C)C2)cc1S(=O)(=O)N(C)C ZINC000331252399 647373925 /nfs/dbraw/zinc/37/39/25/647373925.db2.gz UNWKCAAVLPWDIG-UHFFFAOYSA-N 1 2 385.555 2.011 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000331261866 647374773 /nfs/dbraw/zinc/37/47/73/647374773.db2.gz CYSDMJHTQKYNLE-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000331261866 647374778 /nfs/dbraw/zinc/37/47/78/647374778.db2.gz CYSDMJHTQKYNLE-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cnc(N2CC[NH+](Cc3ccc(S(=O)(=O)N(C)C)cc3)CC2)s1 ZINC000332469744 647439384 /nfs/dbraw/zinc/43/93/84/647439384.db2.gz UFCSEEKBYBRRBS-UHFFFAOYSA-N 1 2 380.539 2.024 20 0 GEADLO COc1cc(Br)cc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000332629445 647449720 /nfs/dbraw/zinc/44/97/20/647449720.db2.gz DKLAOBDMKQYGOE-AWEZNQCLSA-N 1 2 384.274 2.396 20 0 GEADLO Cc1cnc2c(cccc2S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000361085034 647559673 /nfs/dbraw/zinc/55/96/73/647559673.db2.gz DUCCXGFOWXVEBG-INIZCTEOSA-N 1 2 377.535 2.355 20 0 GEADLO O=C(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)Nc1ccc(Br)cn1 ZINC000362997626 647578412 /nfs/dbraw/zinc/57/84/12/647578412.db2.gz NBKJMWZQNAUNTN-CQSZACIVSA-N 1 2 395.301 2.260 20 0 GEADLO O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)Nc1ccc(Br)cn1 ZINC000362997626 647578420 /nfs/dbraw/zinc/57/84/20/647578420.db2.gz NBKJMWZQNAUNTN-CQSZACIVSA-N 1 2 395.301 2.260 20 0 GEADLO CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ccc(Br)cn1 ZINC000363373593 647593232 /nfs/dbraw/zinc/59/32/32/647593232.db2.gz BWJJDXCXCLUPHA-UHFFFAOYSA-N 1 2 392.301 2.453 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000363806906 647609232 /nfs/dbraw/zinc/60/92/32/647609232.db2.gz YPIUBZBDIHLNPT-MRXNPFEDSA-N 1 2 388.917 2.195 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3c(F)cccc3Br)C2)nn1 ZINC000363908220 647612215 /nfs/dbraw/zinc/61/22/15/647612215.db2.gz KVFWGFHKTGCKCZ-JTQLQIEISA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3c(F)cccc3Br)C2)nn1 ZINC000363908220 647612220 /nfs/dbraw/zinc/61/22/20/647612220.db2.gz KVFWGFHKTGCKCZ-JTQLQIEISA-N 1 2 383.221 2.413 20 0 GEADLO CCc1nc2cc(S(=O)(=O)N3CC[NH+]([C@H]4CCSC4)CC3)ccc2o1 ZINC000364511087 647631397 /nfs/dbraw/zinc/63/13/97/647631397.db2.gz KYLDITXWMQLKRF-ZDUSSCGKSA-N 1 2 381.523 2.202 20 0 GEADLO Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000364525016 647632574 /nfs/dbraw/zinc/63/25/74/647632574.db2.gz MZAWTCWUVBWAPB-GFCCVEGCSA-N 1 2 391.269 2.446 20 0 GEADLO O=S(=O)(Cc1cccc2cccnc21)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000364759318 647640965 /nfs/dbraw/zinc/64/09/65/647640965.db2.gz TVIQFUILRIWPJZ-QGZVFWFLSA-N 1 2 377.535 2.188 20 0 GEADLO C[C@@H](NC(=O)c1cccs1)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000365116879 647660060 /nfs/dbraw/zinc/66/00/60/647660060.db2.gz LFLGNYSFTBQOHL-GFCCVEGCSA-N 1 2 378.523 2.104 20 0 GEADLO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365756978 647686227 /nfs/dbraw/zinc/68/62/27/647686227.db2.gz GHROSQANVJFOOV-VHDGCEQUSA-N 1 2 383.286 2.038 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366115291 647692972 /nfs/dbraw/zinc/69/29/72/647692972.db2.gz ZYFGFBMQYNLURD-HNNXBMFYSA-N 1 2 398.301 2.120 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366115291 647692978 /nfs/dbraw/zinc/69/29/78/647692978.db2.gz ZYFGFBMQYNLURD-HNNXBMFYSA-N 1 2 398.301 2.120 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@H]2N1 ZINC000366784942 647703999 /nfs/dbraw/zinc/70/39/99/647703999.db2.gz FSFCOOWRPSEIIY-KGLIPLIRSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@H]2N1 ZINC000366784942 647704010 /nfs/dbraw/zinc/70/40/10/647704010.db2.gz FSFCOOWRPSEIIY-KGLIPLIRSA-N 1 2 392.253 2.193 20 0 GEADLO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367086926 647718817 /nfs/dbraw/zinc/71/88/17/647718817.db2.gz VUBVIFAWVKXYGV-CQSZACIVSA-N 1 2 390.237 2.360 20 0 GEADLO COc1ccc(Br)c(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000368395465 647756129 /nfs/dbraw/zinc/75/61/29/647756129.db2.gz ZUAIODADOUCAFY-ZDUSSCGKSA-N 1 2 384.274 2.442 20 0 GEADLO COc1ccc(Br)c(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000368395465 647756132 /nfs/dbraw/zinc/75/61/32/647756132.db2.gz ZUAIODADOUCAFY-ZDUSSCGKSA-N 1 2 384.274 2.442 20 0 GEADLO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368645304 647762660 /nfs/dbraw/zinc/76/26/60/647762660.db2.gz QVJFQIWZTJTCHV-CZUORRHYSA-N 1 2 388.295 2.189 20 0 GEADLO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368645304 647762662 /nfs/dbraw/zinc/76/26/62/647762662.db2.gz QVJFQIWZTJTCHV-CZUORRHYSA-N 1 2 388.295 2.189 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000368830311 647766028 /nfs/dbraw/zinc/76/60/28/647766028.db2.gz PTSILUKPRJUHLX-GFCCVEGCSA-N 1 2 387.311 2.074 20 0 GEADLO CNC(=O)C[N@H+]1CCCN([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000368830311 647766031 /nfs/dbraw/zinc/76/60/31/647766031.db2.gz PTSILUKPRJUHLX-GFCCVEGCSA-N 1 2 387.311 2.074 20 0 GEADLO Cc1nn(C)c(C[NH+]2CCC(C(=O)Nc3cnccn3)CC2)c1Br ZINC000369615928 647780109 /nfs/dbraw/zinc/78/01/09/647780109.db2.gz OAVCKKCPCGJTBQ-UHFFFAOYSA-N 1 2 393.289 2.132 20 0 GEADLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000373661381 647814648 /nfs/dbraw/zinc/81/46/48/647814648.db2.gz XYMDMXWHLNCTGT-LLVKDONJSA-N 1 2 383.905 2.275 20 0 GEADLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000373661381 647814651 /nfs/dbraw/zinc/81/46/51/647814651.db2.gz XYMDMXWHLNCTGT-LLVKDONJSA-N 1 2 383.905 2.275 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(Br)c1 ZINC000374340239 647821977 /nfs/dbraw/zinc/82/19/77/647821977.db2.gz JJSGPIYBTAARKW-GFCCVEGCSA-N 1 2 391.269 2.446 20 0 GEADLO O=C(NCCn1cc(Br)cn1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376424296 647845366 /nfs/dbraw/zinc/84/53/66/647845366.db2.gz WXCUSKFDFRFZTC-CYBMUJFWSA-N 1 2 378.274 2.073 20 0 GEADLO COC(=O)C[C@@H]1COCCN1Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000377868329 647870542 /nfs/dbraw/zinc/87/05/42/647870542.db2.gz HISUGXHHSYFAGU-CYBMUJFWSA-N 1 2 382.258 2.169 20 0 GEADLO O=C(Nc1cc2ccc(Br)cn2n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000482136472 647893515 /nfs/dbraw/zinc/89/35/15/647893515.db2.gz BOIKMPTYQCSTRI-AWEZNQCLSA-N 1 2 394.273 2.035 20 0 GEADLO OC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2I)CC[C@H]1O ZINC000405228673 647909385 /nfs/dbraw/zinc/90/93/85/647909385.db2.gz UWSQOKFEYWSAGE-GXFFZTMASA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2I)CC[C@H]1O ZINC000405228673 647909402 /nfs/dbraw/zinc/90/94/02/647909402.db2.gz UWSQOKFEYWSAGE-GXFFZTMASA-N 1 2 381.641 2.120 20 0 GEADLO CN1CCN(C)[C@@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000405815235 647911513 /nfs/dbraw/zinc/91/15/13/647911513.db2.gz VKFOCIZZJFPZBT-ZDUSSCGKSA-N 1 2 393.700 2.280 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c(Br)c1 ZINC000408035777 647920018 /nfs/dbraw/zinc/92/00/18/647920018.db2.gz NKFQKJCDSBEGOA-LSDHHAIUSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c(Br)c1 ZINC000408035777 647920026 /nfs/dbraw/zinc/92/00/26/647920026.db2.gz NKFQKJCDSBEGOA-LSDHHAIUSA-N 1 2 384.274 2.395 20 0 GEADLO COc1cccc(S(=O)(=O)CC[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000409449562 647960937 /nfs/dbraw/zinc/96/09/37/647960937.db2.gz PXWVCRPYVYYTTK-DOTOQJQBSA-N 1 2 385.551 2.455 20 0 GEADLO COc1cccc(S(=O)(=O)CC[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000409449562 647960946 /nfs/dbraw/zinc/96/09/46/647960946.db2.gz PXWVCRPYVYYTTK-DOTOQJQBSA-N 1 2 385.551 2.455 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409460460 647962569 /nfs/dbraw/zinc/96/25/69/647962569.db2.gz FYOCVRNNXGOJBH-XVGQJIODSA-N 1 2 393.325 2.490 20 0 GEADLO CCOCCOC[C@@H](O)CNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000409671814 647977076 /nfs/dbraw/zinc/97/70/76/647977076.db2.gz MZSQKPHKIGJPES-NSHDSACASA-N 1 2 387.249 2.384 20 0 GEADLO COCC(=O)N1CCC(Nc2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413057303 648059308 /nfs/dbraw/zinc/05/93/08/648059308.db2.gz FLYAFHMWXSURDK-UHFFFAOYSA-N 1 2 378.270 3.047 20 0 GEADLO C[C@@H](O)CNc1cc(NC[C@@H](C)Oc2cccc(Br)c2)nc[nH+]1 ZINC000413164246 648061197 /nfs/dbraw/zinc/06/11/97/648061197.db2.gz HITGBHVCPRSVHA-VXGBXAGGSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@@H](O)CNc1cc(NC[C@@H](C)Oc2cccc(Br)c2)[nH+]cn1 ZINC000413164246 648061200 /nfs/dbraw/zinc/06/12/00/648061200.db2.gz HITGBHVCPRSVHA-VXGBXAGGSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@H](O)CNc1cc(NC[C@H](C)Oc2ccccc2Br)nc[nH+]1 ZINC000413180935 648062541 /nfs/dbraw/zinc/06/25/41/648062541.db2.gz YOBAXYLHXFMHJY-RYUDHWBXSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@H](O)CNc1cc(NC[C@H](C)Oc2ccccc2Br)[nH+]cn1 ZINC000413180935 648062547 /nfs/dbraw/zinc/06/25/47/648062547.db2.gz YOBAXYLHXFMHJY-RYUDHWBXSA-N 1 2 381.274 2.911 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCC1(Cc2cccc(Cl)c2)CC1 ZINC000416543612 648166974 /nfs/dbraw/zinc/16/69/74/648166974.db2.gz DLYLKVHUCPTZPO-UHFFFAOYSA-N 1 2 386.945 2.304 20 0 GEADLO Cc1nc2[nH]ccc2c(NCCNS(=O)(=O)c2ccc(F)cc2Cl)[nH+]1 ZINC000509527065 648291234 /nfs/dbraw/zinc/29/12/34/648291234.db2.gz RXYRXZXQBVYHPH-UHFFFAOYSA-N 1 2 383.836 2.449 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2CCSC[C@H]2C2CCC2)n1 ZINC000419369694 648350522 /nfs/dbraw/zinc/35/05/22/648350522.db2.gz FSBQGLPISISOSD-AWEZNQCLSA-N 1 2 383.539 2.405 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@H+]2CCSC[C@H]2C2CCC2)n1 ZINC000419369694 648350524 /nfs/dbraw/zinc/35/05/24/648350524.db2.gz FSBQGLPISISOSD-AWEZNQCLSA-N 1 2 383.539 2.405 20 0 GEADLO O=C1[C@@H]2Cc3c(Br)cccc3CN2C(=O)N1CCCn1cc[nH+]c1 ZINC000419915972 648388217 /nfs/dbraw/zinc/38/82/17/648388217.db2.gz ZKEGUEWCSYLBNY-HNNXBMFYSA-N 1 2 389.253 2.425 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)C[C@@H](CC)OC)CC2)cs1 ZINC000420671750 648432263 /nfs/dbraw/zinc/43/22/63/648432263.db2.gz DLJFTBINRPQJCS-MRXNPFEDSA-N 1 2 389.587 2.262 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@@H](C)C1 ZINC000420685722 648435768 /nfs/dbraw/zinc/43/57/68/648435768.db2.gz GJMGHJZUFFMERF-QWRGUYRKSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@@H](C)C1 ZINC000420685722 648435771 /nfs/dbraw/zinc/43/57/71/648435771.db2.gz GJMGHJZUFFMERF-QWRGUYRKSA-N 1 2 398.859 2.017 20 0 GEADLO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000420700874 648439048 /nfs/dbraw/zinc/43/90/48/648439048.db2.gz PNFYXULSRCHUGZ-UHFFFAOYSA-N 1 2 381.885 2.498 20 0 GEADLO Cc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000421561475 648497336 /nfs/dbraw/zinc/49/73/36/648497336.db2.gz SSRACOSYFQWLGP-UHFFFAOYSA-N 1 2 381.885 2.289 20 0 GEADLO CNC(=O)[C@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000421652685 648502879 /nfs/dbraw/zinc/50/28/79/648502879.db2.gz UDDDXRIQDHQQIE-GOEBONIOSA-N 1 2 394.313 2.181 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000422086984 648520398 /nfs/dbraw/zinc/52/03/98/648520398.db2.gz FXBBCEUTCXDFDW-SNVBAGLBSA-N 1 2 399.676 2.120 20 0 GEADLO CC(C)[C@@H]1C[N@H+](C)CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000425477670 648680017 /nfs/dbraw/zinc/68/00/17/648680017.db2.gz MCQKLFPGHKWXER-INIZCTEOSA-N 1 2 389.359 2.495 20 0 GEADLO CC(C)[C@@H]1C[N@@H+](C)CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000425477670 648680020 /nfs/dbraw/zinc/68/00/20/648680020.db2.gz MCQKLFPGHKWXER-INIZCTEOSA-N 1 2 389.359 2.495 20 0 GEADLO CC(C)(O)C[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000426765073 648714788 /nfs/dbraw/zinc/71/47/88/648714788.db2.gz BSBVXVFFKVMAQG-UHFFFAOYSA-N 1 2 376.316 2.458 20 0 GEADLO CC(C)(O)C[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000426765073 648714796 /nfs/dbraw/zinc/71/47/96/648714796.db2.gz BSBVXVFFKVMAQG-UHFFFAOYSA-N 1 2 376.316 2.458 20 0 GEADLO O=C(Nc1cc(Cl)ccc1Br)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427052570 648721111 /nfs/dbraw/zinc/72/11/11/648721111.db2.gz GLSXLPNARDXDEU-JTQLQIEISA-N 1 2 397.660 2.369 20 0 GEADLO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427053828 648721260 /nfs/dbraw/zinc/72/12/60/648721260.db2.gz UYGLYWFPZIXOOS-NSHDSACASA-N 1 2 377.242 2.024 20 0 GEADLO COC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000438827343 648806142 /nfs/dbraw/zinc/80/61/42/648806142.db2.gz CAVCMDBGLMGNJD-DZGCQCFKSA-N 1 2 390.249 2.355 20 0 GEADLO COC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000438827343 648806144 /nfs/dbraw/zinc/80/61/44/648806144.db2.gz CAVCMDBGLMGNJD-DZGCQCFKSA-N 1 2 390.249 2.355 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000443045802 648857031 /nfs/dbraw/zinc/85/70/31/648857031.db2.gz MGDJMRHWJNIFOZ-RDJZCZTQSA-N 1 2 381.885 2.467 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cn1 ZINC000443045802 648857034 /nfs/dbraw/zinc/85/70/34/648857034.db2.gz MGDJMRHWJNIFOZ-RDJZCZTQSA-N 1 2 381.885 2.467 20 0 GEADLO O=C(NCCOc1cccc(Br)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548281648 651075739 /nfs/dbraw/zinc/07/57/39/651075739.db2.gz SSVUFSPJMDKOIX-CYBMUJFWSA-N 1 2 379.258 2.339 20 0 GEADLO O=C(NC1CC1)[C@@H](O)C1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000548352509 651077383 /nfs/dbraw/zinc/07/73/83/651077383.db2.gz PDJHMPBWLLDKPW-INIZCTEOSA-N 1 2 385.277 2.440 20 0 GEADLO CSc1cccc(S(=O)(=O)Nc2cnccc2N2CC[NH+](C)CC2)c1 ZINC000548868028 651088106 /nfs/dbraw/zinc/08/81/06/651088106.db2.gz HPSZROPEWDKKQT-UHFFFAOYSA-N 1 2 378.523 2.356 20 0 GEADLO O=c1c(Br)c(NCC[NH+]2CCCCC2)cnn1-c1ccccn1 ZINC000549465543 651097467 /nfs/dbraw/zinc/09/74/67/651097467.db2.gz NSMJFIUFTYCQTG-UHFFFAOYSA-N 1 2 378.274 2.288 20 0 GEADLO CCO[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)[C@H]1n1cccn1 ZINC000550326226 651109565 /nfs/dbraw/zinc/10/95/65/651109565.db2.gz WCRAQGGWOAZGRV-ZMSDIMECSA-N 1 2 383.901 2.448 20 0 GEADLO CC[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC000550421093 651111076 /nfs/dbraw/zinc/11/10/76/651111076.db2.gz NMYCIUQGCRMCNJ-BBRMVZONSA-N 1 2 383.945 2.413 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)NCCc1c(Cl)cccc1Cl ZINC000551641698 651128375 /nfs/dbraw/zinc/12/83/75/651128375.db2.gz QLEJKDWMLBWGHC-UHFFFAOYSA-N 1 2 383.279 2.445 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H]1COC[C@H]1O ZINC000552006518 651137652 /nfs/dbraw/zinc/13/76/52/651137652.db2.gz HMAXCCFWGAZKNP-VXGBXAGGSA-N 1 2 397.191 2.098 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H]1COC[C@H]1O ZINC000552006518 651137654 /nfs/dbraw/zinc/13/76/54/651137654.db2.gz HMAXCCFWGAZKNP-VXGBXAGGSA-N 1 2 397.191 2.098 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(F)cc(Br)c1)C2 ZINC000552157985 651141816 /nfs/dbraw/zinc/14/18/16/651141816.db2.gz UUFMYWAGKGLKOA-AWEZNQCLSA-N 1 2 396.260 2.373 20 0 GEADLO Cc1nnc(COCC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000552183521 651142613 /nfs/dbraw/zinc/14/26/13/651142613.db2.gz HYTPLXLNFKQZPJ-UHFFFAOYSA-N 1 2 380.901 2.191 20 0 GEADLO Cc1nnc(COCC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000552183521 651142632 /nfs/dbraw/zinc/14/26/32/651142632.db2.gz HYTPLXLNFKQZPJ-UHFFFAOYSA-N 1 2 380.901 2.191 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cscc2Br)C[C@H]1C ZINC000552393562 651148184 /nfs/dbraw/zinc/14/81/84/651148184.db2.gz ALPWUWSCWAOINK-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cscc2Br)C[C@H]1C ZINC000552393562 651148187 /nfs/dbraw/zinc/14/81/87/651148187.db2.gz ALPWUWSCWAOINK-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)[C@H]1C[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552803144 651158290 /nfs/dbraw/zinc/15/82/90/651158290.db2.gz NSXGPWPJOXMAFF-OLZOCXBDSA-N 1 2 396.241 2.077 20 0 GEADLO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553052216 651163242 /nfs/dbraw/zinc/16/32/42/651163242.db2.gz JEPFTHQFFCJWNV-YPMHNXCESA-N 1 2 384.263 2.308 20 0 GEADLO COc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(Br)c1 ZINC000553066884 651163572 /nfs/dbraw/zinc/16/35/72/651163572.db2.gz UGZKFVHLQMOVOP-QWHCGFSZSA-N 1 2 383.286 2.393 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)[C@H]2CCc3c[nH+]cn3C2)ccc1Br ZINC000553405518 651174334 /nfs/dbraw/zinc/17/43/34/651174334.db2.gz RFZJHQAZAAQCMF-LBPRGKRZSA-N 1 2 391.269 2.271 20 0 GEADLO O=S(=O)(CC[N@@H+]1CC[C@@H](n2cccn2)C1)c1ccc(Br)cc1 ZINC000555259460 651221285 /nfs/dbraw/zinc/22/12/85/651221285.db2.gz NEGOMTSQDNAJMO-CQSZACIVSA-N 1 2 384.299 2.366 20 0 GEADLO O=S(=O)(CC[N@H+]1CC[C@@H](n2cccn2)C1)c1ccc(Br)cc1 ZINC000555259460 651221287 /nfs/dbraw/zinc/22/12/87/651221287.db2.gz NEGOMTSQDNAJMO-CQSZACIVSA-N 1 2 384.299 2.366 20 0 GEADLO O=C(NCc1ccc(Br)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000555912328 651232809 /nfs/dbraw/zinc/23/28/09/651232809.db2.gz HFRVKZGMOFVMHZ-UHFFFAOYSA-N 1 2 387.237 2.029 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000556454482 651244499 /nfs/dbraw/zinc/24/44/99/651244499.db2.gz RIGUTDXIUULKLB-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000556454482 651244502 /nfs/dbraw/zinc/24/45/02/651244502.db2.gz RIGUTDXIUULKLB-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO COC(=O)c1ccc(C[NH2+]Cc2ccnc(N(C)C)n2)c(Br)c1 ZINC000556599090 651247361 /nfs/dbraw/zinc/24/73/61/651247361.db2.gz WCBVYRUEEKTOKD-UHFFFAOYSA-N 1 2 379.258 2.382 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)C2(c3cc(F)cc(Br)c3)CC2)CCO1 ZINC000556811170 651253632 /nfs/dbraw/zinc/25/36/32/651253632.db2.gz RVGRXKJLCAIWLX-GFCCVEGCSA-N 1 2 385.277 2.457 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)C2(c3cc(F)cc(Br)c3)CC2)CCO1 ZINC000556811170 651253634 /nfs/dbraw/zinc/25/36/34/651253634.db2.gz RVGRXKJLCAIWLX-GFCCVEGCSA-N 1 2 385.277 2.457 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)c(F)c2)C1 ZINC000556992093 651259371 /nfs/dbraw/zinc/25/93/71/651259371.db2.gz REXSHZIDMILKDG-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)c(F)c2)C1 ZINC000556992093 651259375 /nfs/dbraw/zinc/25/93/75/651259375.db2.gz REXSHZIDMILKDG-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc2nccnc2c1Br ZINC000558488776 651280747 /nfs/dbraw/zinc/28/07/47/651280747.db2.gz MCBBXFHZZSRECH-NSHDSACASA-N 1 2 394.273 2.235 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc2nccnc2c1Br ZINC000558488776 651280752 /nfs/dbraw/zinc/28/07/52/651280752.db2.gz MCBBXFHZZSRECH-NSHDSACASA-N 1 2 394.273 2.235 20 0 GEADLO COC(=O)c1cccc(NC(=O)NCc2ccc(N)[nH+]c2)c1Br ZINC000558769050 651284890 /nfs/dbraw/zinc/28/48/90/651284890.db2.gz YTFJDTWQETYOAQ-UHFFFAOYSA-N 1 2 379.214 2.535 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000559148514 651291662 /nfs/dbraw/zinc/29/16/62/651291662.db2.gz ZJFSRMKHQWLWGV-TXEJJXNPSA-N 1 2 382.507 2.401 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000559148514 651291665 /nfs/dbraw/zinc/29/16/65/651291665.db2.gz ZJFSRMKHQWLWGV-TXEJJXNPSA-N 1 2 382.507 2.401 20 0 GEADLO CNC(=O)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000559951796 651301638 /nfs/dbraw/zinc/30/16/38/651301638.db2.gz DJFAZLGARJSNJZ-UHFFFAOYSA-N 1 2 377.897 2.459 20 0 GEADLO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000560405148 651308602 /nfs/dbraw/zinc/30/86/02/651308602.db2.gz QKMPPCXEZAGIGP-UONOGXRCSA-N 1 2 393.285 2.427 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000642773260 651474648 /nfs/dbraw/zinc/47/46/48/651474648.db2.gz GHTFWLHYYBBJEK-QWHCGFSZSA-N 1 2 379.309 2.213 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000642771319 651474703 /nfs/dbraw/zinc/47/47/03/651474703.db2.gz FLGNKPCFAAAXFV-HUUCEWRRSA-N 1 2 379.309 2.213 20 0 GEADLO CC[S@](=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000603295494 651477811 /nfs/dbraw/zinc/47/78/11/651477811.db2.gz ZGDVBAUPNLGXJX-DXMSMQRWSA-N 1 2 384.567 2.033 20 0 GEADLO CC[S@](=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000603295494 651477812 /nfs/dbraw/zinc/47/78/12/651477812.db2.gz ZGDVBAUPNLGXJX-DXMSMQRWSA-N 1 2 384.567 2.033 20 0 GEADLO Cn1nc2c(cc1=O)C[N@@H+](Cc1nc3ccc(Br)cc3o1)CC2 ZINC000643373379 651484474 /nfs/dbraw/zinc/48/44/74/651484474.db2.gz QOFWJZCOGLJLNB-UHFFFAOYSA-N 1 2 375.226 2.242 20 0 GEADLO Cn1nc2c(cc1=O)C[N@H+](Cc1nc3ccc(Br)cc3o1)CC2 ZINC000643373379 651484477 /nfs/dbraw/zinc/48/44/77/651484477.db2.gz QOFWJZCOGLJLNB-UHFFFAOYSA-N 1 2 375.226 2.242 20 0 GEADLO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726256163 651488691 /nfs/dbraw/zinc/48/86/91/651488691.db2.gz KNNJEZMEUBIMKE-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726256163 651488696 /nfs/dbraw/zinc/48/86/96/651488696.db2.gz KNNJEZMEUBIMKE-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO O=C(c1ncc(I)s1)N1CCC(n2cc[nH+]c2)CC1 ZINC000603426588 651489764 /nfs/dbraw/zinc/48/97/64/651489764.db2.gz HHTQSXMOVIFCNQ-UHFFFAOYSA-N 1 2 388.234 2.422 20 0 GEADLO O=S(=O)(N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(OC(F)(F)F)c1F ZINC000562356688 651492665 /nfs/dbraw/zinc/49/26/65/651492665.db2.gz BYZBDMWOFULIEW-SECBINFHSA-N 1 2 379.335 2.214 20 0 GEADLO O=C(c1ncc(I)s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000603438018 651493115 /nfs/dbraw/zinc/49/31/15/651493115.db2.gz VUYPFIGQZVXLFS-MRVPVSSYSA-N 1 2 388.234 2.491 20 0 GEADLO Fc1cc2ncnc(NCC3([NH+]4CCOCC4)CC3)c2cc1Br ZINC000562437485 651495832 /nfs/dbraw/zinc/49/58/32/651495832.db2.gz RRMKADASSWFLLS-UHFFFAOYSA-N 1 2 381.249 2.808 20 0 GEADLO CC(=O)N(c1nc(C[NH2+]CCCS(C)(=O)=O)cs1)c1ccc(F)cc1 ZINC000603513219 651498543 /nfs/dbraw/zinc/49/85/43/651498543.db2.gz OSKLHTVYZVGIHR-UHFFFAOYSA-N 1 2 385.486 2.491 20 0 GEADLO COc1ccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c(Cl)c1OC ZINC000562738621 651500325 /nfs/dbraw/zinc/50/03/25/651500325.db2.gz HFUKKHIEFUEGCM-UHFFFAOYSA-N 1 2 388.917 2.357 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603883737 651500908 /nfs/dbraw/zinc/50/09/08/651500908.db2.gz FIPGXVKSCLQWOV-NSHDSACASA-N 1 2 378.841 2.293 20 0 GEADLO CN(C)C(=O)C[C@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)c2ccc(Cl)cc21 ZINC000644044284 651518474 /nfs/dbraw/zinc/51/84/74/651518474.db2.gz SIMXGTZEANQESH-QFYYESIMSA-N 1 2 378.885 2.405 20 0 GEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1cc(Br)ccc1=O ZINC000727495427 651523273 /nfs/dbraw/zinc/52/32/73/651523273.db2.gz WJKOUAIJIVMVQZ-CYBMUJFWSA-N 1 2 381.274 2.038 20 0 GEADLO C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)CCS(C)(=O)=O ZINC000728053598 651536332 /nfs/dbraw/zinc/53/63/32/651536332.db2.gz AJFGWPKKTMSFRV-SFHVURJKSA-N 1 2 380.535 2.320 20 0 GEADLO C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)CCS(C)(=O)=O ZINC000728053598 651536337 /nfs/dbraw/zinc/53/63/37/651536337.db2.gz AJFGWPKKTMSFRV-SFHVURJKSA-N 1 2 380.535 2.320 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CCO1 ZINC000606360643 651552500 /nfs/dbraw/zinc/55/25/00/651552500.db2.gz HJSWRLVSNUUCMJ-NSHDSACASA-N 1 2 394.269 2.153 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CCO1 ZINC000606360643 651552507 /nfs/dbraw/zinc/55/25/07/651552507.db2.gz HJSWRLVSNUUCMJ-NSHDSACASA-N 1 2 394.269 2.153 20 0 GEADLO O=S(=O)(CCc1ccc(Cl)cc1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000644858624 651572905 /nfs/dbraw/zinc/57/29/05/651572905.db2.gz RFOAVDQVCMFAMK-ROUUACIJSA-N 1 2 386.945 2.445 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000730809937 651609703 /nfs/dbraw/zinc/60/97/03/651609703.db2.gz SDXBDNLVSVEOKK-UHFFFAOYSA-N 1 2 395.294 2.312 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000609675976 651629665 /nfs/dbraw/zinc/62/96/65/651629665.db2.gz ITGDHWPDBNUGAX-UHFFFAOYSA-N 1 2 377.447 2.199 20 0 GEADLO CO[C@H](CS(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000645681528 651636224 /nfs/dbraw/zinc/63/62/24/651636224.db2.gz UNUTYSPGSABATC-ZWKOTPCHSA-N 1 2 386.583 2.194 20 0 GEADLO CO[C@H](CS(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(C)C ZINC000645681528 651636230 /nfs/dbraw/zinc/63/62/30/651636230.db2.gz UNUTYSPGSABATC-ZWKOTPCHSA-N 1 2 386.583 2.194 20 0 GEADLO CO[C@@H](CS(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000645681524 651636384 /nfs/dbraw/zinc/63/63/84/651636384.db2.gz UNUTYSPGSABATC-MSOLQXFVSA-N 1 2 386.583 2.194 20 0 GEADLO CO[C@@H](CS(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(C)C ZINC000645681524 651636387 /nfs/dbraw/zinc/63/63/87/651636387.db2.gz UNUTYSPGSABATC-MSOLQXFVSA-N 1 2 386.583 2.194 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)c2ccc3c(Br)cn(C)c3c2)c1 ZINC000645753003 651647249 /nfs/dbraw/zinc/64/72/49/651647249.db2.gz MKXOINNGPPMHAI-UHFFFAOYSA-N 1 2 397.298 2.195 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCc1ccc(Br)cc1F)[NH+]1CCOCC1 ZINC000732467268 651658598 /nfs/dbraw/zinc/65/85/98/651658598.db2.gz VXLOBPZZCPIKMG-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000568274916 651660656 /nfs/dbraw/zinc/66/06/56/651660656.db2.gz OLEDKHYOONTLKU-HSZRJFAPSA-N 1 2 386.926 2.357 20 0 GEADLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000568274916 651660661 /nfs/dbraw/zinc/66/06/61/651660661.db2.gz OLEDKHYOONTLKU-HSZRJFAPSA-N 1 2 386.926 2.357 20 0 GEADLO CN(C(=O)[C@H]1CSCN1C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC1 ZINC000569234831 651703235 /nfs/dbraw/zinc/70/32/35/651703235.db2.gz LYWXPDRVSBEKKU-HZPDHXFCSA-N 1 2 381.929 2.465 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000569442107 651713615 /nfs/dbraw/zinc/71/36/15/651713615.db2.gz CCKAMYJTFGKDFU-SECBINFHSA-N 1 2 379.766 2.340 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000569442107 651713621 /nfs/dbraw/zinc/71/36/21/651713621.db2.gz CCKAMYJTFGKDFU-SECBINFHSA-N 1 2 379.766 2.340 20 0 GEADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000611575619 651729990 /nfs/dbraw/zinc/72/99/90/651729990.db2.gz SMWAJFUTBMGTOP-AWEZNQCLSA-N 1 2 394.269 2.375 20 0 GEADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000611575619 651729994 /nfs/dbraw/zinc/72/99/94/651729994.db2.gz SMWAJFUTBMGTOP-AWEZNQCLSA-N 1 2 394.269 2.375 20 0 GEADLO Cc1ccc(OCCC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)c(Br)c1 ZINC000647679324 651754227 /nfs/dbraw/zinc/75/42/27/651754227.db2.gz YKPCGTUIKORBNI-OAHLLOKOSA-N 1 2 396.329 2.033 20 0 GEADLO Cc1ccc(OCCC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)c(Br)c1 ZINC000647679324 651754228 /nfs/dbraw/zinc/75/42/28/651754228.db2.gz YKPCGTUIKORBNI-OAHLLOKOSA-N 1 2 396.329 2.033 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)c1cccc(Cl)c1Br ZINC000570381509 651764105 /nfs/dbraw/zinc/76/41/05/651764105.db2.gz HDKPISMCRCGBFR-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO C[C@@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@H]1C[N@H+](C)CCO1 ZINC000612669069 651764834 /nfs/dbraw/zinc/76/48/34/651764834.db2.gz DWQDPISEVPSIRT-RNFRBKRXSA-N 1 2 399.182 2.454 20 0 GEADLO C[C@@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@H]1C[N@@H+](C)CCO1 ZINC000612669069 651764838 /nfs/dbraw/zinc/76/48/38/651764838.db2.gz DWQDPISEVPSIRT-RNFRBKRXSA-N 1 2 399.182 2.454 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(OC(F)F)ccc1Br ZINC000648009198 651769870 /nfs/dbraw/zinc/76/98/70/651769870.db2.gz UYMNGMHXLXDICF-JTQLQIEISA-N 1 2 399.257 2.303 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(OC(F)F)ccc1Br ZINC000648009198 651769872 /nfs/dbraw/zinc/76/98/72/651769872.db2.gz UYMNGMHXLXDICF-JTQLQIEISA-N 1 2 399.257 2.303 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cn3ncc4c3cccc4Br)CC2)cn1 ZINC000735486370 651783656 /nfs/dbraw/zinc/78/36/56/651783656.db2.gz VOMYFOKCKSFMKP-UHFFFAOYSA-N 1 2 389.301 2.308 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000613993146 651807169 /nfs/dbraw/zinc/80/71/69/651807169.db2.gz CJDOZVAULDCKTF-NUEKZKHPSA-N 1 2 392.297 2.254 20 0 GEADLO COc1ccc(Br)cc1CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000571196476 651816499 /nfs/dbraw/zinc/81/64/99/651816499.db2.gz NYWJXYFLWJQONM-NSHDSACASA-N 1 2 377.229 2.361 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615127027 651849989 /nfs/dbraw/zinc/84/99/89/651849989.db2.gz FSOMDILSKCRNLL-BPLDGKMQSA-N 1 2 391.269 2.361 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000615446203 651865175 /nfs/dbraw/zinc/86/51/75/651865175.db2.gz LGJJXSOMYIEBMU-UHFFFAOYSA-N 1 2 378.435 2.225 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000615534748 651866211 /nfs/dbraw/zinc/86/62/11/651866211.db2.gz LOZHRQHQJMTOFM-INIZCTEOSA-N 1 2 396.329 2.452 20 0 GEADLO O=C(COc1ccccc1Br)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615543082 651866252 /nfs/dbraw/zinc/86/62/52/651866252.db2.gz HNVOLEKKRMZXRU-AWEZNQCLSA-N 1 2 383.286 2.151 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(Br)oc1C)C2 ZINC000572126668 651874672 /nfs/dbraw/zinc/87/46/72/651874672.db2.gz IZGMVQBINYSVCF-NSHDSACASA-N 1 2 382.258 2.135 20 0 GEADLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 ZINC000572334398 651885792 /nfs/dbraw/zinc/88/57/92/651885792.db2.gz ZFLHDYAETKNUJY-GFCCVEGCSA-N 1 2 385.917 2.330 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H]3CCCS3(=O)=O)n2)C1 ZINC000572574690 651900776 /nfs/dbraw/zinc/90/07/76/651900776.db2.gz ADXYNSLTDNZBHS-GXTWGEPZSA-N 1 2 386.543 2.074 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H]3CCCS3(=O)=O)n2)C1 ZINC000572574690 651900779 /nfs/dbraw/zinc/90/07/79/651900779.db2.gz ADXYNSLTDNZBHS-GXTWGEPZSA-N 1 2 386.543 2.074 20 0 GEADLO C[C@@](CO)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000616829127 651911620 /nfs/dbraw/zinc/91/16/20/651911620.db2.gz JVVJONDNEFDKHM-PXAZEXFGSA-N 1 2 378.270 2.232 20 0 GEADLO CCO[C@@H]1CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C[C@H]1C[NH3+] ZINC000652594155 651918649 /nfs/dbraw/zinc/91/86/49/651918649.db2.gz NCYRHSMQRCHIBQ-DGCLKSJQSA-N 1 2 381.889 2.108 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000653001843 651931756 /nfs/dbraw/zinc/93/17/56/651931756.db2.gz GFSBQVXCJUJTDT-UHFFFAOYSA-N 1 2 375.296 2.343 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000653001877 651932033 /nfs/dbraw/zinc/93/20/33/651932033.db2.gz HTLSWJWNUVNCKW-UHFFFAOYSA-N 1 2 389.265 2.009 20 0 GEADLO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000573409480 651953091 /nfs/dbraw/zinc/95/30/91/651953091.db2.gz OXFZUFZKJUZVPQ-ZDUSSCGKSA-N 1 2 399.314 2.087 20 0 GEADLO CO[C@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccccc1Br ZINC000653882998 651958657 /nfs/dbraw/zinc/95/86/57/651958657.db2.gz BKXCCVRBGZPEFR-HNNXBMFYSA-N 1 2 385.302 2.364 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2nn(C(C)(C)C)cc2Br)[C@@H](C)CO1 ZINC000617721890 651966111 /nfs/dbraw/zinc/96/61/11/651966111.db2.gz VHFUVERZGABUHR-RYUDHWBXSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2nn(C(C)(C)C)cc2Br)[C@@H](C)CO1 ZINC000617721890 651966117 /nfs/dbraw/zinc/96/61/17/651966117.db2.gz VHFUVERZGABUHR-RYUDHWBXSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2nn(C(C)(C)C)cc2Br)[C@@H](C)CO1 ZINC000617721889 651966150 /nfs/dbraw/zinc/96/61/50/651966150.db2.gz VHFUVERZGABUHR-NWDGAFQWSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2nn(C(C)(C)C)cc2Br)[C@@H](C)CO1 ZINC000617721889 651966159 /nfs/dbraw/zinc/96/61/59/651966159.db2.gz VHFUVERZGABUHR-NWDGAFQWSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc(Br)cc3c2OCCO3)[C@@H](C)CO1 ZINC000617721540 651966182 /nfs/dbraw/zinc/96/61/82/651966182.db2.gz QYCQCDZYSNQVTH-RYUDHWBXSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc3c2OCCO3)[C@@H](C)CO1 ZINC000617721540 651966188 /nfs/dbraw/zinc/96/61/88/651966188.db2.gz QYCQCDZYSNQVTH-RYUDHWBXSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cnc3ncc(Br)cc3c2)[C@@H](C)CO1 ZINC000617725553 651967788 /nfs/dbraw/zinc/96/77/88/651967788.db2.gz LTAJEAXNNAQSEK-RYUDHWBXSA-N 1 2 393.285 2.231 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cnc3ncc(Br)cc3c2)[C@@H](C)CO1 ZINC000617725553 651967794 /nfs/dbraw/zinc/96/77/94/651967794.db2.gz LTAJEAXNNAQSEK-RYUDHWBXSA-N 1 2 393.285 2.231 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617733183 651968949 /nfs/dbraw/zinc/96/89/49/651968949.db2.gz OBMSQZDVTAKXFZ-MCIONIFRSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617733183 651968955 /nfs/dbraw/zinc/96/89/55/651968955.db2.gz OBMSQZDVTAKXFZ-MCIONIFRSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617733184 651968967 /nfs/dbraw/zinc/96/89/67/651968967.db2.gz OBMSQZDVTAKXFZ-MGPQQGTHSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617733184 651968973 /nfs/dbraw/zinc/96/89/73/651968973.db2.gz OBMSQZDVTAKXFZ-MGPQQGTHSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)[C@H](C)CO1 ZINC000617739960 651969233 /nfs/dbraw/zinc/96/92/33/651969233.db2.gz ABIYVXMEOMSLMY-CHWSQXEVSA-N 1 2 395.297 2.450 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)[C@H](C)CO1 ZINC000617739960 651969239 /nfs/dbraw/zinc/96/92/39/651969239.db2.gz ABIYVXMEOMSLMY-CHWSQXEVSA-N 1 2 395.297 2.450 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)COc2ccc(F)cc2Br)[C@@H](C)CO1 ZINC000617743746 651969956 /nfs/dbraw/zinc/96/99/56/651969956.db2.gz NJJTXYKSVMDFCW-NWDGAFQWSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)COc2ccc(F)cc2Br)[C@@H](C)CO1 ZINC000617743746 651969962 /nfs/dbraw/zinc/96/99/62/651969962.db2.gz NJJTXYKSVMDFCW-NWDGAFQWSA-N 1 2 389.265 2.192 20 0 GEADLO CN(Cc1oc2ccccc2c1Br)C[C@@H](O)C[NH+]1CCOCC1 ZINC000656252618 652028731 /nfs/dbraw/zinc/02/87/31/652028731.db2.gz CUDYTFBRGZOLTQ-CYBMUJFWSA-N 1 2 383.286 2.320 20 0 GEADLO CN(Cc1cn(C)nn1)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000618804977 652032150 /nfs/dbraw/zinc/03/21/50/652032150.db2.gz RWEJHRMMPDDJQN-MRXNPFEDSA-N 1 2 392.301 2.373 20 0 GEADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cn(-c2ccccc2Br)nn1 ZINC000574637678 652033104 /nfs/dbraw/zinc/03/31/04/652033104.db2.gz CHLBYDCWXSAPPD-SWLSCSKDSA-N 1 2 381.274 2.002 20 0 GEADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cn(-c2ccccc2Br)nn1 ZINC000574637678 652033111 /nfs/dbraw/zinc/03/31/11/652033111.db2.gz CHLBYDCWXSAPPD-SWLSCSKDSA-N 1 2 381.274 2.002 20 0 GEADLO N[C@@](C(=O)NC[C@H]1CC[NH2+]CC1(F)F)(c1cccc(Cl)c1)C(F)(F)F ZINC000574755089 652041245 /nfs/dbraw/zinc/04/12/45/652041245.db2.gz XALWFUFXOMZOJR-QMTHXVAHSA-N 1 2 385.764 2.417 20 0 GEADLO C[N@H+]1CC=C(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000574776764 652042843 /nfs/dbraw/zinc/04/28/43/652042843.db2.gz PKAOPHQIXOEIJN-UHFFFAOYSA-N 1 2 378.274 2.387 20 0 GEADLO C[N@@H+]1CC=C(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000574776764 652042847 /nfs/dbraw/zinc/04/28/47/652042847.db2.gz PKAOPHQIXOEIJN-UHFFFAOYSA-N 1 2 378.274 2.387 20 0 GEADLO NC(=O)c1csc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)n1 ZINC000656717485 652048841 /nfs/dbraw/zinc/04/88/41/652048841.db2.gz XIKIZAHAWLXCNK-MRVPVSSYSA-N 1 2 376.265 2.078 20 0 GEADLO Cc1cc(Br)cn2cc(CCN3C(=O)N4CC5CC4(C5)C3=O)[nH+]c12 ZINC000656809399 652055367 /nfs/dbraw/zinc/05/53/67/652055367.db2.gz NFXLKEJFXRKNFS-UHFFFAOYSA-N 1 2 389.253 2.374 20 0 GEADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000575202337 652069192 /nfs/dbraw/zinc/06/91/92/652069192.db2.gz BDZQHOFXAFQYHH-CQSZACIVSA-N 1 2 384.318 2.112 20 0 GEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656954072 652074468 /nfs/dbraw/zinc/07/44/68/652074468.db2.gz YHVZHDLRBKBXLN-WDEREUQCSA-N 1 2 379.295 2.442 20 0 GEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656954072 652074472 /nfs/dbraw/zinc/07/44/72/652074472.db2.gz YHVZHDLRBKBXLN-WDEREUQCSA-N 1 2 379.295 2.442 20 0 GEADLO O=C(CCCn1cc[nH+]c1)NCCOc1ccc(I)cc1 ZINC000619756087 652076587 /nfs/dbraw/zinc/07/65/87/652076587.db2.gz DGDAVBVYBMQMFS-UHFFFAOYSA-N 1 2 399.232 2.463 20 0 GEADLO C[C@H](CNS(=O)(=O)Cc1cc(F)ccc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000657023066 652089979 /nfs/dbraw/zinc/08/99/79/652089979.db2.gz MFSXWPLOJQHHCM-UPJWGTAASA-N 1 2 378.897 2.396 20 0 GEADLO C[C@H](CNS(=O)(=O)Cc1cc(F)ccc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000657023066 652089985 /nfs/dbraw/zinc/08/99/85/652089985.db2.gz MFSXWPLOJQHHCM-UPJWGTAASA-N 1 2 378.897 2.396 20 0 GEADLO C[C@@H]1CCC[N@H+](CCNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000620214522 652095817 /nfs/dbraw/zinc/09/58/17/652095817.db2.gz KTCWOQBRACVIHI-CQSZACIVSA-N 1 2 384.929 2.494 20 0 GEADLO C[C@@H]1CCC[N@@H+](CCNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000620214522 652095823 /nfs/dbraw/zinc/09/58/23/652095823.db2.gz KTCWOQBRACVIHI-CQSZACIVSA-N 1 2 384.929 2.494 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000746467434 652109117 /nfs/dbraw/zinc/10/91/17/652109117.db2.gz KLMCMLBAPYQWIY-XMMPIXPASA-N 1 2 392.352 2.318 20 0 GEADLO Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000746469763 652109209 /nfs/dbraw/zinc/10/92/09/652109209.db2.gz SZBDVXQEGUQHBH-VWLOTQADSA-N 1 2 380.945 2.330 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746475314 652109723 /nfs/dbraw/zinc/10/97/23/652109723.db2.gz QWFADJZLZWNFLY-MCFWBGNESA-N 1 2 392.352 2.317 20 0 GEADLO O=S(=O)(c1nc2ccccc2s1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000576597505 652131229 /nfs/dbraw/zinc/13/12/29/652131229.db2.gz UTCVUODSSFWBGY-AWEZNQCLSA-N 1 2 381.523 2.172 20 0 GEADLO CC(C)(CNC(=O)c1cc2c(cc1Br)OCO2)[NH+]1CCOCC1 ZINC000621247156 652136997 /nfs/dbraw/zinc/13/69/97/652136997.db2.gz IPQQVFOPKHEJCO-UHFFFAOYSA-N 1 2 385.258 2.018 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC(Cc2ccsc2)C1 ZINC000621442239 652155122 /nfs/dbraw/zinc/15/51/22/652155122.db2.gz SDAPLIPUQBJYJL-GOSISDBHSA-N 1 2 381.567 2.140 20 0 GEADLO O=C(c1cc(Br)c[nH]c1=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000621823716 652168117 /nfs/dbraw/zinc/16/81/17/652168117.db2.gz NUCIOJCRSMFQCO-UHFFFAOYSA-N 1 2 392.253 2.213 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc2c(cc1Br)OCO2 ZINC000621854004 652169336 /nfs/dbraw/zinc/16/93/36/652169336.db2.gz GANSNFNMBPDXAQ-UHFFFAOYSA-N 1 2 385.258 2.018 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc2c(cc1Br)OCO2 ZINC000621854004 652169341 /nfs/dbraw/zinc/16/93/41/652169341.db2.gz GANSNFNMBPDXAQ-UHFFFAOYSA-N 1 2 385.258 2.018 20 0 GEADLO Cn1c[nH+]cc1COC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000747780127 652178580 /nfs/dbraw/zinc/17/85/80/652178580.db2.gz BTWNGXROLBUONQ-UHFFFAOYSA-N 1 2 394.225 2.042 20 0 GEADLO C[C@@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)CS1(=O)=O ZINC000657638957 652183847 /nfs/dbraw/zinc/18/38/47/652183847.db2.gz NUHQWBAKANZSQE-VXGBXAGGSA-N 1 2 399.314 2.085 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000748000279 652187996 /nfs/dbraw/zinc/18/79/96/652187996.db2.gz RVPQXCCCAQOWTB-UHFFFAOYSA-N 1 2 382.873 2.086 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCn1ccccc1=O ZINC000622500184 652194855 /nfs/dbraw/zinc/19/48/55/652194855.db2.gz DWURHRSIEAYNKH-UHFFFAOYSA-N 1 2 378.270 2.490 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCn1ccccc1=O ZINC000622500184 652194862 /nfs/dbraw/zinc/19/48/62/652194862.db2.gz DWURHRSIEAYNKH-UHFFFAOYSA-N 1 2 378.270 2.490 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000748456359 652203265 /nfs/dbraw/zinc/20/32/65/652203265.db2.gz AIDRENKIYPSCJN-XHDPSFHLSA-N 1 2 389.279 2.435 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000748456359 652203276 /nfs/dbraw/zinc/20/32/76/652203276.db2.gz AIDRENKIYPSCJN-XHDPSFHLSA-N 1 2 389.279 2.435 20 0 GEADLO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000577633691 652203459 /nfs/dbraw/zinc/20/34/59/652203459.db2.gz UHTGMDBJTLSIDL-SNVBAGLBSA-N 1 2 389.649 2.330 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000577717948 652209541 /nfs/dbraw/zinc/20/95/41/652209541.db2.gz XVPXRSZJJMPMIL-UHFFFAOYSA-N 1 2 389.257 2.368 20 0 GEADLO O=C([C@@H]1CC(=O)Nc2ccc(Br)cc21)N1CC(n2cc[nH+]c2)C1 ZINC000577813982 652218027 /nfs/dbraw/zinc/21/80/27/652218027.db2.gz YTZKSHZBZDABRD-CYBMUJFWSA-N 1 2 375.226 2.155 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000577864505 652224366 /nfs/dbraw/zinc/22/43/66/652224366.db2.gz NJYDSQOQVKKERZ-NWDGAFQWSA-N 1 2 398.276 2.457 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000577864505 652224370 /nfs/dbraw/zinc/22/43/70/652224370.db2.gz NJYDSQOQVKKERZ-NWDGAFQWSA-N 1 2 398.276 2.457 20 0 GEADLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000623121518 652227173 /nfs/dbraw/zinc/22/71/73/652227173.db2.gz ZZMCFNZRXHCQIZ-UHFFFAOYSA-N 1 2 381.420 2.116 20 0 GEADLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000623121518 652227182 /nfs/dbraw/zinc/22/71/82/652227182.db2.gz ZZMCFNZRXHCQIZ-UHFFFAOYSA-N 1 2 381.420 2.116 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000623270215 652229798 /nfs/dbraw/zinc/22/97/98/652229798.db2.gz AGVKVQGXACOVKU-GXFFZTMASA-N 1 2 379.247 2.284 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000623272096 652229849 /nfs/dbraw/zinc/22/98/49/652229849.db2.gz OXRQQZCJTLJUMY-WCQYABFASA-N 1 2 379.247 2.284 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000623270217 652230321 /nfs/dbraw/zinc/23/03/21/652230321.db2.gz AGVKVQGXACOVKU-ZWNOBZJWSA-N 1 2 379.247 2.284 20 0 GEADLO COc1ccc(Br)cc1CNC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578618492 652283121 /nfs/dbraw/zinc/28/31/21/652283121.db2.gz BLKYVRJGWAWTHG-ZENOOKHLSA-N 1 2 387.318 2.017 20 0 GEADLO COc1ccc(Br)cc1CNC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578618492 652283130 /nfs/dbraw/zinc/28/31/30/652283130.db2.gz BLKYVRJGWAWTHG-ZENOOKHLSA-N 1 2 387.318 2.017 20 0 GEADLO COc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000578849005 652299123 /nfs/dbraw/zinc/29/91/23/652299123.db2.gz SUPMFHPTHWDDKW-BETUJISGSA-N 1 2 384.274 2.442 20 0 GEADLO COc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000578849005 652299125 /nfs/dbraw/zinc/29/91/25/652299125.db2.gz SUPMFHPTHWDDKW-BETUJISGSA-N 1 2 384.274 2.442 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1C(=O)NCC(F)(F)F)[NH+]1CCSCC1 ZINC000750829300 652310963 /nfs/dbraw/zinc/31/09/63/652310963.db2.gz NPJNUFAXXYVRFJ-NSHDSACASA-N 1 2 375.416 2.355 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CCSC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000579196549 652323588 /nfs/dbraw/zinc/32/35/88/652323588.db2.gz MAIRRRJQGJRBQY-LZLYRXPVSA-N 1 2 388.599 2.020 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCC[C@@]2(CCSC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000579196549 652323593 /nfs/dbraw/zinc/32/35/93/652323593.db2.gz MAIRRRJQGJRBQY-LZLYRXPVSA-N 1 2 388.599 2.020 20 0 GEADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)c1 ZINC000751123242 652324788 /nfs/dbraw/zinc/32/47/88/652324788.db2.gz FQYOJCBRFRSMDF-UHFFFAOYSA-N 1 2 383.857 2.413 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2sc(S(N)(=O)=O)cc2C)n1 ZINC000751359846 652342491 /nfs/dbraw/zinc/34/24/91/652342491.db2.gz YQIHOGUKDOMTTF-UHFFFAOYSA-N 1 2 388.540 2.255 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000625338061 652344876 /nfs/dbraw/zinc/34/48/76/652344876.db2.gz XCPVNKUIIDNGHY-ZYRRHWMLSA-N 1 2 392.341 2.087 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccccc1SC(F)(F)F ZINC000751431482 652348950 /nfs/dbraw/zinc/34/89/50/652348950.db2.gz PXTIBNBGASKCPX-LBPRGKRZSA-N 1 2 378.416 2.064 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000579957289 652361551 /nfs/dbraw/zinc/36/15/51/652361551.db2.gz JQJVLJAFJGNCFO-SNVBAGLBSA-N 1 2 391.715 2.486 20 0 GEADLO CCOCC[N@@H+]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC000579998208 652362890 /nfs/dbraw/zinc/36/28/90/652362890.db2.gz RLWSMHGPSHWSMT-CQSZACIVSA-N 1 2 390.933 2.221 20 0 GEADLO CCOCC[N@H+]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC000579998208 652362893 /nfs/dbraw/zinc/36/28/93/652362893.db2.gz RLWSMHGPSHWSMT-CQSZACIVSA-N 1 2 390.933 2.221 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)cc1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000660035724 652376212 /nfs/dbraw/zinc/37/62/12/652376212.db2.gz AJJXOBYJPAIJBY-IAGOWNOFSA-N 1 2 384.929 2.403 20 0 GEADLO COCCCS(=O)(=O)NCC[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626007496 652379192 /nfs/dbraw/zinc/37/91/92/652379192.db2.gz IKHCMFXHQZCUAI-UHFFFAOYSA-N 1 2 380.432 2.019 20 0 GEADLO COCCCS(=O)(=O)NCC[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626007496 652379194 /nfs/dbraw/zinc/37/91/94/652379194.db2.gz IKHCMFXHQZCUAI-UHFFFAOYSA-N 1 2 380.432 2.019 20 0 GEADLO Cc1cc(Br)c(C[NH+]2CCC(NS(N)(=O)=O)CC2)cc1Cl ZINC000626036016 652380418 /nfs/dbraw/zinc/38/04/18/652380418.db2.gz LTLZJJZHZQKMHM-UHFFFAOYSA-N 1 2 396.738 2.168 20 0 GEADLO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626035529 652380534 /nfs/dbraw/zinc/38/05/34/652380534.db2.gz RUQNUADIVGJQFU-LLVKDONJSA-N 1 2 384.889 2.314 20 0 GEADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc2cc(Br)ccc2s1 ZINC000626225558 652386303 /nfs/dbraw/zinc/38/63/03/652386303.db2.gz ASENWSXFFHMPTO-ZDUSSCGKSA-N 1 2 380.311 2.393 20 0 GEADLO O=S(=O)(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ncccc1Br ZINC000660130635 652389056 /nfs/dbraw/zinc/38/90/56/652389056.db2.gz OZUNMKWYWFAZCN-CQSZACIVSA-N 1 2 396.310 2.397 20 0 GEADLO O=S(=O)(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ncccc1Br ZINC000660130635 652389058 /nfs/dbraw/zinc/38/90/58/652389058.db2.gz OZUNMKWYWFAZCN-CQSZACIVSA-N 1 2 396.310 2.397 20 0 GEADLO O=S(=O)(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1cncc(F)c1 ZINC000580750994 652391030 /nfs/dbraw/zinc/39/10/30/652391030.db2.gz OJUTYAMOEVFUOW-INIZCTEOSA-N 1 2 381.498 2.117 20 0 GEADLO O=S(=O)(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1cncc(F)c1 ZINC000580750994 652391033 /nfs/dbraw/zinc/39/10/33/652391033.db2.gz OJUTYAMOEVFUOW-INIZCTEOSA-N 1 2 381.498 2.117 20 0 GEADLO Cc1c(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)cnn1-c1ccc(Cl)cc1 ZINC000580952862 652398331 /nfs/dbraw/zinc/39/83/31/652398331.db2.gz YNUAXQLNVIMFPH-ZDUSSCGKSA-N 1 2 390.843 2.062 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(OC)cc2Br)C1 ZINC000581058277 652400047 /nfs/dbraw/zinc/40/00/47/652400047.db2.gz JYJVGXKOSOFADA-LBPRGKRZSA-N 1 2 399.285 2.073 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(OC)cc2Br)C1 ZINC000581058277 652400049 /nfs/dbraw/zinc/40/00/49/652400049.db2.gz JYJVGXKOSOFADA-LBPRGKRZSA-N 1 2 399.285 2.073 20 0 GEADLO O=C(NCCc1ccc(Br)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660679995 652409353 /nfs/dbraw/zinc/40/93/53/652409353.db2.gz AHNIRIZCVSSMOG-INIZCTEOSA-N 1 2 382.302 2.108 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCN4C(=O)OCC[C@@H]4C3)c[nH+]c12 ZINC000753548560 652410134 /nfs/dbraw/zinc/41/01/34/652410134.db2.gz MFVRBNYCSPGLHR-CYBMUJFWSA-N 1 2 379.258 2.432 20 0 GEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(I)cc1 ZINC000753894658 652420312 /nfs/dbraw/zinc/42/03/12/652420312.db2.gz IJACMGVICQFPAB-OKILXGFUSA-N 1 2 387.217 2.311 20 0 GEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(I)cc1 ZINC000753894658 652420313 /nfs/dbraw/zinc/42/03/13/652420313.db2.gz IJACMGVICQFPAB-OKILXGFUSA-N 1 2 387.217 2.311 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)C[C@H]1C ZINC000754048901 652425656 /nfs/dbraw/zinc/42/56/56/652425656.db2.gz XLKFUMOIWFZCAT-SNVBAGLBSA-N 1 2 395.294 2.312 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)C[C@H]1C ZINC000754048901 652425662 /nfs/dbraw/zinc/42/56/62/652425662.db2.gz XLKFUMOIWFZCAT-SNVBAGLBSA-N 1 2 395.294 2.312 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@H]1COCCO1 ZINC000661609543 652435348 /nfs/dbraw/zinc/43/53/48/652435348.db2.gz NRSLYXWEPUBCIR-NSHDSACASA-N 1 2 377.666 2.388 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@H]1COCCO1 ZINC000661609543 652435350 /nfs/dbraw/zinc/43/53/50/652435350.db2.gz NRSLYXWEPUBCIR-NSHDSACASA-N 1 2 377.666 2.388 20 0 GEADLO Cc1cc(Br)c(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000661852151 652441667 /nfs/dbraw/zinc/44/16/67/652441667.db2.gz MFQYEBPUBSRZNK-LBPRGKRZSA-N 1 2 388.331 2.435 20 0 GEADLO CC(C)NC(=O)CNC(=S)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754691668 652442946 /nfs/dbraw/zinc/44/29/46/652442946.db2.gz ISTQJEYWXJCLRQ-GDBMZVCRSA-N 1 2 386.924 2.213 20 0 GEADLO CC(C)NC(=O)CNC(=S)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754691668 652442950 /nfs/dbraw/zinc/44/29/50/652442950.db2.gz ISTQJEYWXJCLRQ-GDBMZVCRSA-N 1 2 386.924 2.213 20 0 GEADLO Cn1c[nH+]c(CCN2C(=O)CN(Cc3cccc(Br)c3)C2=O)c1 ZINC000582291406 652443851 /nfs/dbraw/zinc/44/38/51/652443851.db2.gz TYPICUJVDFXHFQ-UHFFFAOYSA-N 1 2 377.242 2.190 20 0 GEADLO C[NH+]1CCC(n2ccc(NC(=O)c3cccc(Br)c3O)n2)CC1 ZINC000582463059 652451253 /nfs/dbraw/zinc/45/12/53/652451253.db2.gz PUDNGSJKXZQIBR-UHFFFAOYSA-N 1 2 379.258 2.870 20 0 GEADLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628135222 652452793 /nfs/dbraw/zinc/45/27/93/652452793.db2.gz PSKITRQVOQLXLP-LBPRGKRZSA-N 1 2 384.395 2.280 20 0 GEADLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628135222 652452795 /nfs/dbraw/zinc/45/27/95/652452795.db2.gz PSKITRQVOQLXLP-LBPRGKRZSA-N 1 2 384.395 2.280 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(F)c1OCC(F)(F)F ZINC000628187566 652454289 /nfs/dbraw/zinc/45/42/89/652454289.db2.gz UEQMFXOCFQWGDJ-GFCCVEGCSA-N 1 2 384.395 2.280 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cccc(F)c1OCC(F)(F)F ZINC000628187566 652454296 /nfs/dbraw/zinc/45/42/96/652454296.db2.gz UEQMFXOCFQWGDJ-GFCCVEGCSA-N 1 2 384.395 2.280 20 0 GEADLO CC1(C)C[NH+](CC(=O)NCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000582556470 652455258 /nfs/dbraw/zinc/45/52/58/652455258.db2.gz NVBWDGRVWPJAAI-UHFFFAOYSA-N 1 2 379.258 2.457 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000628573007 652463121 /nfs/dbraw/zinc/46/31/21/652463121.db2.gz AJIJIEHLTWZXAE-GOSISDBHSA-N 1 2 387.307 2.268 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000628573007 652463122 /nfs/dbraw/zinc/46/31/22/652463122.db2.gz AJIJIEHLTWZXAE-GOSISDBHSA-N 1 2 387.307 2.268 20 0 GEADLO O=C(CCn1cc[nH+]c1)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628680547 652467971 /nfs/dbraw/zinc/46/79/71/652467971.db2.gz FMDSMMPNCARFKU-QGZVFWFLSA-N 1 2 378.270 2.072 20 0 GEADLO CC1(C)CC[NH2+][C@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000662646136 652469995 /nfs/dbraw/zinc/46/99/95/652469995.db2.gz MTABTPXNOYIORB-ZDUSSCGKSA-N 1 2 380.495 2.271 20 0 GEADLO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000756106644 652488538 /nfs/dbraw/zinc/48/85/38/652488538.db2.gz QDQANSFTYRBENR-ZDUSSCGKSA-N 1 2 376.258 2.364 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000583685359 652494221 /nfs/dbraw/zinc/49/42/21/652494221.db2.gz WQPJEGUWUJSVIA-CJNGLKHVSA-N 1 2 387.933 2.067 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCCc2ccc(Br)s2)[C@@H](C)CO1 ZINC000663543972 652503278 /nfs/dbraw/zinc/50/32/78/652503278.db2.gz AHOIATLEXLEEIW-RYUDHWBXSA-N 1 2 390.347 2.462 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCc2ccc(Br)s2)[C@@H](C)CO1 ZINC000663543972 652503280 /nfs/dbraw/zinc/50/32/80/652503280.db2.gz AHOIATLEXLEEIW-RYUDHWBXSA-N 1 2 390.347 2.462 20 0 GEADLO Cc1nc(C)c(Br)c(Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000663540176 652503289 /nfs/dbraw/zinc/50/32/89/652503289.db2.gz OGWJODPSCDZVMS-UHFFFAOYSA-N 1 2 381.278 2.128 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCNc2ncc(Cl)cc2Cl)[C@H](C)CO1 ZINC000663673338 652507973 /nfs/dbraw/zinc/50/79/73/652507973.db2.gz ZWVJJXSWGGLOTN-VXGBXAGGSA-N 1 2 390.315 2.209 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCNc2ncc(Cl)cc2Cl)[C@H](C)CO1 ZINC000663673338 652507979 /nfs/dbraw/zinc/50/79/79/652507979.db2.gz ZWVJJXSWGGLOTN-VXGBXAGGSA-N 1 2 390.315 2.209 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1cc(Br)ccc1F ZINC000663678608 652508399 /nfs/dbraw/zinc/50/83/99/652508399.db2.gz QPYCRKDAQSSYSJ-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1cc(Br)ccc1F ZINC000663678608 652508401 /nfs/dbraw/zinc/50/84/01/652508401.db2.gz QPYCRKDAQSSYSJ-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000756971500 652510368 /nfs/dbraw/zinc/51/03/68/652510368.db2.gz BGALKGJZMKOEAY-CQSZACIVSA-N 1 2 376.869 2.453 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000756971500 652510373 /nfs/dbraw/zinc/51/03/73/652510373.db2.gz BGALKGJZMKOEAY-CQSZACIVSA-N 1 2 376.869 2.453 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000584291551 652515447 /nfs/dbraw/zinc/51/54/47/652515447.db2.gz WAJCZLHXKPTUCZ-NSHDSACASA-N 1 2 377.413 2.497 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000757762083 652522287 /nfs/dbraw/zinc/52/22/87/652522287.db2.gz DEWKJOMQTQWZGW-RUZDIDTESA-N 1 2 382.423 2.263 20 0 GEADLO OCCO[C@]1(CNc2cc[nH+]c3c(Br)ccc(F)c23)CCOC1 ZINC000664237691 652523688 /nfs/dbraw/zinc/52/36/88/652523688.db2.gz BOHRWLQCWJLUES-INIZCTEOSA-N 1 2 385.233 2.138 20 0 GEADLO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000631539063 652526878 /nfs/dbraw/zinc/52/68/78/652526878.db2.gz VHKYUNITTMUSLF-AWEZNQCLSA-N 1 2 393.285 2.034 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)c1cccnc1I ZINC000758168149 652532380 /nfs/dbraw/zinc/53/23/80/652532380.db2.gz NCIQJGAQEQVBRW-UHFFFAOYSA-N 1 2 382.205 2.313 20 0 GEADLO O=c1ccccn1CC[NH+]1CCN(Cc2sccc2Br)CC1 ZINC000586830717 652542612 /nfs/dbraw/zinc/54/26/12/652542612.db2.gz PYXGHBAAOLSMCQ-UHFFFAOYSA-N 1 2 382.327 2.490 20 0 GEADLO Cc1nc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cn1C ZINC000589166162 652561066 /nfs/dbraw/zinc/56/10/66/652561066.db2.gz XDDVBAPVAOFGIH-MRXNPFEDSA-N 1 2 382.917 2.497 20 0 GEADLO Ic1cccc2ncnc(N3CCn4c[nH+]cc4C3)c12 ZINC000589605550 652569587 /nfs/dbraw/zinc/56/95/87/652569587.db2.gz YTGBYBULTXBZIG-UHFFFAOYSA-N 1 2 377.189 2.451 20 0 GEADLO C[C@@H]1CC[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CS1(=O)=O ZINC000666374909 652573843 /nfs/dbraw/zinc/57/38/43/652573843.db2.gz OYBUCRZBEJXEDS-UHOFOFEASA-N 1 2 387.933 2.208 20 0 GEADLO C[C@@H]1CC[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CS1(=O)=O ZINC000666374908 652574028 /nfs/dbraw/zinc/57/40/28/652574028.db2.gz OYBUCRZBEJXEDS-KCXAZCMYSA-N 1 2 387.933 2.208 20 0 GEADLO CNc1cc2c(nn1)CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000592113345 652587287 /nfs/dbraw/zinc/58/72/87/652587287.db2.gz OYGZUDBPWJUAJX-ZDUSSCGKSA-N 1 2 383.279 2.623 20 0 GEADLO CNc1cc2c(nn1)CC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000592113345 652587291 /nfs/dbraw/zinc/58/72/91/652587291.db2.gz OYGZUDBPWJUAJX-ZDUSSCGKSA-N 1 2 383.279 2.623 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)c1 ZINC000633299835 652592566 /nfs/dbraw/zinc/59/25/66/652592566.db2.gz ZPHHVSHYGJZCSK-NUEKZKHPSA-N 1 2 375.270 2.363 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)C(F)(F)F)n1 ZINC000667160000 652594864 /nfs/dbraw/zinc/59/48/64/652594864.db2.gz NPERFZPAXYYGBF-SRVKXCTJSA-N 1 2 380.436 2.463 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)C(F)(F)F)n1 ZINC000667160000 652594867 /nfs/dbraw/zinc/59/48/67/652594867.db2.gz NPERFZPAXYYGBF-SRVKXCTJSA-N 1 2 380.436 2.463 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000667211892 652597159 /nfs/dbraw/zinc/59/71/59/652597159.db2.gz YBMGNJQWJRJORD-GHMZBOCLSA-N 1 2 378.226 2.331 20 0 GEADLO CC(C)S(=O)(=O)CC(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633776810 652613445 /nfs/dbraw/zinc/61/34/45/652613445.db2.gz XDVOQSSUNQJBDD-CQSZACIVSA-N 1 2 380.432 2.248 20 0 GEADLO COC[C@](C)(CO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000667934807 652623233 /nfs/dbraw/zinc/62/32/33/652623233.db2.gz VDCFPAQVMDNAPT-LBPRGKRZSA-N 1 2 383.080 2.404 20 0 GEADLO COc1cc(OC)c(S(=O)(=O)N2CCn3c(C)c(C)[nH+]c3C2)cc1Cl ZINC000668127798 652629566 /nfs/dbraw/zinc/62/95/66/652629566.db2.gz RUSJAGVNUMWQDJ-UHFFFAOYSA-N 1 2 385.873 2.375 20 0 GEADLO CS(=O)(=O)c1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000634304406 652637243 /nfs/dbraw/zinc/63/72/43/652637243.db2.gz FVGQQTBWWKQOJZ-UHFFFAOYSA-N 1 2 397.547 2.030 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000668332252 652638992 /nfs/dbraw/zinc/63/89/92/652638992.db2.gz HPKFPLYMQMDGQW-OAHLLOKOSA-N 1 2 391.269 2.126 20 0 GEADLO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000634660794 652650723 /nfs/dbraw/zinc/65/07/23/652650723.db2.gz BHIBYMQZKHVRLB-SNVBAGLBSA-N 1 2 388.262 2.386 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1F ZINC000594576324 652669511 /nfs/dbraw/zinc/66/95/11/652669511.db2.gz IFTMNYUHMVFWRD-SNVBAGLBSA-N 1 2 389.836 2.077 20 0 GEADLO COCCn1cc(CNc2[nH]c3ccc(I)cc3[nH+]2)cn1 ZINC000595000915 652702025 /nfs/dbraw/zinc/70/20/25/652702025.db2.gz QHRFMNJDCFKZSQ-UHFFFAOYSA-N 1 2 397.220 2.044 20 0 GEADLO COCCn1cc(CNc2[nH]c3cc(I)ccc3[nH+]2)cn1 ZINC000595000915 652702032 /nfs/dbraw/zinc/70/20/32/652702032.db2.gz QHRFMNJDCFKZSQ-UHFFFAOYSA-N 1 2 397.220 2.044 20 0 GEADLO CCN(CC)C(=O)[C@H]1CSCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459666 652730585 /nfs/dbraw/zinc/73/05/85/652730585.db2.gz PLYHHFJQMOJLJB-VXGBXAGGSA-N 1 2 378.420 2.147 20 0 GEADLO COC(=O)[C@H](c1ccccc1Br)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000595494706 652731162 /nfs/dbraw/zinc/73/11/62/652731162.db2.gz ZVWAEIBTZFVEDW-ZQIUZPCESA-N 1 2 397.313 2.458 20 0 GEADLO O=C(NCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(Br)cc1 ZINC000635476516 652734354 /nfs/dbraw/zinc/73/43/54/652734354.db2.gz USQUMWIZLLVVDK-ZIAGYGMSSA-N 1 2 391.269 2.212 20 0 GEADLO O=C(NCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC000635476516 652734357 /nfs/dbraw/zinc/73/43/57/652734357.db2.gz USQUMWIZLLVVDK-ZIAGYGMSSA-N 1 2 391.269 2.212 20 0 GEADLO O=C(C[NH2+][C@H](CO)c1cccc(Cl)c1Cl)NC(=O)NCc1ccco1 ZINC000595827922 652736727 /nfs/dbraw/zinc/73/67/27/652736727.db2.gz FPMNTALVLTUTHC-CYBMUJFWSA-N 1 2 386.235 2.235 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)NCC(C)(C)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000670133405 652740585 /nfs/dbraw/zinc/74/05/85/652740585.db2.gz ANWXLVZTKZSLID-AWEZNQCLSA-N 1 2 375.922 2.065 20 0 GEADLO O=C(CCCOc1ccccc1Br)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670447400 652749806 /nfs/dbraw/zinc/74/98/06/652749806.db2.gz VIIGPNIVGZWFFY-HNNXBMFYSA-N 1 2 396.329 2.114 20 0 GEADLO O=C(CCCOc1ccccc1Br)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670447400 652749810 /nfs/dbraw/zinc/74/98/10/652749810.db2.gz VIIGPNIVGZWFFY-HNNXBMFYSA-N 1 2 396.329 2.114 20 0 GEADLO CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635955404 652768057 /nfs/dbraw/zinc/76/80/57/652768057.db2.gz VYFQTLIFRXVHGT-STQMWFEESA-N 1 2 381.420 2.192 20 0 GEADLO Cn1cc(Br)c(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)n1 ZINC000635987473 652771302 /nfs/dbraw/zinc/77/13/02/652771302.db2.gz LPCFSDRINKUSPG-SNVBAGLBSA-N 1 2 380.168 2.189 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccccc1I ZINC000597998616 652796386 /nfs/dbraw/zinc/79/63/86/652796386.db2.gz POPRDHZIHAHVIN-NEPJUHHUSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccccc1I ZINC000597998616 652796390 /nfs/dbraw/zinc/79/63/90/652796390.db2.gz POPRDHZIHAHVIN-NEPJUHHUSA-N 1 2 388.249 2.130 20 0 GEADLO O=C(NCCc1ccc(I)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000598391967 652813033 /nfs/dbraw/zinc/81/30/33/652813033.db2.gz ARWIJQYADDUKKE-CYBMUJFWSA-N 1 2 395.244 2.409 20 0 GEADLO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672148553 652828373 /nfs/dbraw/zinc/82/83/73/652828373.db2.gz RBDAYUYGQUYGKG-NHYWBVRUSA-N 1 2 376.869 2.471 20 0 GEADLO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672148554 652828416 /nfs/dbraw/zinc/82/84/16/652828416.db2.gz RBDAYUYGQUYGKG-XHDPSFHLSA-N 1 2 376.869 2.471 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=S)NCc2ccon2)c2ccc(Cl)cc2)C1 ZINC000765520081 652842779 /nfs/dbraw/zinc/84/27/79/652842779.db2.gz KMGUQSSEZZMLRV-HOTGVXAUSA-N 1 2 380.901 2.364 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](NC(=S)NCc2ccon2)c2ccc(Cl)cc2)C1 ZINC000765520081 652842785 /nfs/dbraw/zinc/84/27/85/652842785.db2.gz KMGUQSSEZZMLRV-HOTGVXAUSA-N 1 2 380.901 2.364 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NC(=S)NC[C@@H]2CCOC2)c2ccc(Cl)cc2)C1 ZINC000765519975 652842791 /nfs/dbraw/zinc/84/27/91/652842791.db2.gz JRFSLZBYLPTOOV-RRQGHBQHSA-N 1 2 383.945 2.212 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NC(=S)NC[C@@H]2CCOC2)c2ccc(Cl)cc2)C1 ZINC000765519975 652842792 /nfs/dbraw/zinc/84/27/92/652842792.db2.gz JRFSLZBYLPTOOV-RRQGHBQHSA-N 1 2 383.945 2.212 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccncc3Br)C2)nn1 ZINC000599359837 652863966 /nfs/dbraw/zinc/86/39/66/652863966.db2.gz GOYZZTDLKRQDCV-LBPRGKRZSA-N 1 2 380.246 2.059 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3ccncc3Br)C2)nn1 ZINC000599359837 652863972 /nfs/dbraw/zinc/86/39/72/652863972.db2.gz GOYZZTDLKRQDCV-LBPRGKRZSA-N 1 2 380.246 2.059 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)Oc1ccc(Oc2nccs2)cc1 ZINC000766068193 652864878 /nfs/dbraw/zinc/86/48/78/652864878.db2.gz AKOROVCGZVKMCA-UHFFFAOYSA-N 1 2 384.479 2.366 20 0 GEADLO C[C@@H]1CCN(C(=O)NCc2c(Br)cnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000637632820 652867255 /nfs/dbraw/zinc/86/72/55/652867255.db2.gz QPTXINBVMVHUSX-RISCZKNCSA-N 1 2 381.278 2.172 20 0 GEADLO C[C@H]1CSC(SCC(=O)NCc2ccccc2C[NH+]2CCOCC2)=N1 ZINC000766293964 652874733 /nfs/dbraw/zinc/87/47/33/652874733.db2.gz ONSDGYGABRRFAZ-AWEZNQCLSA-N 1 2 379.551 2.360 20 0 GEADLO COC(=O)[C@@]1([NH2+]CCc2ccnn2C)CCc2cc(Br)ccc2C1 ZINC000599596106 652878863 /nfs/dbraw/zinc/87/88/63/652878863.db2.gz ZQKUGKDNDSOHSD-GOSISDBHSA-N 1 2 392.297 2.415 20 0 GEADLO COC(=O)[C@@]1([NH2+]CCCC(=O)N(C)C)CCc2cc(Br)ccc2C1 ZINC000599595996 652878875 /nfs/dbraw/zinc/87/88/75/652878875.db2.gz XUMVQPYVKLFDAY-GOSISDBHSA-N 1 2 397.313 2.308 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1)N1CC[NH2+]CC1=O ZINC000637976492 652880155 /nfs/dbraw/zinc/88/01/55/652880155.db2.gz ATWRERHVEJTODE-SECBINFHSA-N 1 2 397.913 2.102 20 0 GEADLO COc1nc(N2CC[NH+](Cc3cccc(F)c3N)CC2)ncc1Br ZINC000638024325 652881984 /nfs/dbraw/zinc/88/19/84/652881984.db2.gz DWOLNWBHHVAQTG-UHFFFAOYSA-N 1 2 396.264 2.291 20 0 GEADLO CCOC1CC(CNC(=S)NCCc2cccs2)([NH+]2CCOCC2)C1 ZINC000766522449 652884641 /nfs/dbraw/zinc/88/46/41/652884641.db2.gz LBLSWUDEBJJOAI-UHFFFAOYSA-N 1 2 383.583 2.025 20 0 GEADLO Cn1nccc1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000766951424 652905226 /nfs/dbraw/zinc/90/52/26/652905226.db2.gz RZMYFBFZGMGAJD-UHFFFAOYSA-N 1 2 392.301 2.116 20 0 GEADLO COC(=O)c1cn(C2CC[NH+](Cc3cc(C)c(Br)cn3)CC2)nn1 ZINC000600150537 652905922 /nfs/dbraw/zinc/90/59/22/652905922.db2.gz CYAJWMWRGZFQHV-UHFFFAOYSA-N 1 2 394.273 2.368 20 0 GEADLO C[C@@H]1CN(c2ccc(NCc3ccc(S(N)(=O)=O)s3)c[nH+]2)C[C@H](C)O1 ZINC000638891243 652910578 /nfs/dbraw/zinc/91/05/78/652910578.db2.gz GEADJTMZLNCFAU-TXEJJXNPSA-N 1 2 382.511 2.016 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000675249288 652920721 /nfs/dbraw/zinc/92/07/21/652920721.db2.gz WFYMKNCNILQKNX-UHFFFAOYSA-N 1 2 379.295 2.228 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000675249288 652920720 /nfs/dbraw/zinc/92/07/20/652920720.db2.gz WFYMKNCNILQKNX-UHFFFAOYSA-N 1 2 379.295 2.228 20 0 GEADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc[nH+]c(N(C)C)c2)c1 ZINC000767450452 652926081 /nfs/dbraw/zinc/92/60/81/652926081.db2.gz PFFSABVONHIJKW-UHFFFAOYSA-N 1 2 383.857 2.066 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CCC(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000675540916 652932361 /nfs/dbraw/zinc/93/23/61/652932361.db2.gz JLMKTROCVFFMMN-MRXNPFEDSA-N 1 2 387.933 2.161 20 0 GEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1n[nH]c2ccc(Br)cc21 ZINC000767546692 652932722 /nfs/dbraw/zinc/93/27/22/652932722.db2.gz GCGXGOUAURFTOC-TXEJJXNPSA-N 1 2 380.242 2.345 20 0 GEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1n[nH]c2ccc(Br)cc21 ZINC000767546692 652932725 /nfs/dbraw/zinc/93/27/25/652932725.db2.gz GCGXGOUAURFTOC-TXEJJXNPSA-N 1 2 380.242 2.345 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639818192 652956912 /nfs/dbraw/zinc/95/69/12/652956912.db2.gz NCNIKEYZIAWNCT-LSDHHAIUSA-N 1 2 378.274 2.294 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639818192 652956917 /nfs/dbraw/zinc/95/69/17/652956917.db2.gz NCNIKEYZIAWNCT-LSDHHAIUSA-N 1 2 378.274 2.294 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767919045 653095752 /nfs/dbraw/zinc/09/57/52/653095752.db2.gz ORSJOUZFSDXHEP-SECBINFHSA-N 1 2 377.670 2.340 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767919045 653095754 /nfs/dbraw/zinc/09/57/54/653095754.db2.gz ORSJOUZFSDXHEP-SECBINFHSA-N 1 2 377.670 2.340 20 0 GEADLO O=C(c1cc(F)c(F)cc1Br)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676755855 653105616 /nfs/dbraw/zinc/10/56/16/653105616.db2.gz JYFZSEPXIZGHGY-JTQLQIEISA-N 1 2 375.213 2.274 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2cc3cc(Br)ccc3[nH]2)CCO1 ZINC000768326419 653109974 /nfs/dbraw/zinc/10/99/74/653109974.db2.gz YCTCJBOIVIRYMK-LBPRGKRZSA-N 1 2 395.301 2.450 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2cc3cc(Br)ccc3[nH]2)CCO1 ZINC000768326419 653109978 /nfs/dbraw/zinc/10/99/78/653109978.db2.gz YCTCJBOIVIRYMK-LBPRGKRZSA-N 1 2 395.301 2.450 20 0 GEADLO Ic1cnc2c(-c3noc(Cn4cc[nH+]c4)n3)cccn12 ZINC000771644572 653122743 /nfs/dbraw/zinc/12/27/43/653122743.db2.gz BZMWNHZAQGVYSY-UHFFFAOYSA-N 1 2 392.160 2.234 20 0 GEADLO COCCNC(=O)C1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000678131385 653127896 /nfs/dbraw/zinc/12/78/96/653127896.db2.gz APDDEVQDWYNTMG-UHFFFAOYSA-N 1 2 395.301 2.071 20 0 GEADLO CC1CCN(S(=O)(=O)c2ccc(C(=O)OCCn3cc[nH+]c3)s2)CC1 ZINC000771960612 653134877 /nfs/dbraw/zinc/13/48/77/653134877.db2.gz XTWUKJDVCKGWNS-UHFFFAOYSA-N 1 2 383.495 2.222 20 0 GEADLO COCC[N@H+](C)Cc1cn([C@H](C)C(=O)Nc2ccc(Br)cc2)nn1 ZINC000640800969 653139926 /nfs/dbraw/zinc/13/99/26/653139926.db2.gz JVZPSSQXELKYKI-GFCCVEGCSA-N 1 2 396.289 2.319 20 0 GEADLO COCC[N@@H+](C)Cc1cn([C@H](C)C(=O)Nc2ccc(Br)cc2)nn1 ZINC000640800969 653139931 /nfs/dbraw/zinc/13/99/31/653139931.db2.gz JVZPSSQXELKYKI-GFCCVEGCSA-N 1 2 396.289 2.319 20 0 GEADLO CCOC(=O)c1csc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)n1 ZINC000602100345 653147403 /nfs/dbraw/zinc/14/74/03/653147403.db2.gz OFCDWVUMFJLGHB-JTQLQIEISA-N 1 2 376.360 2.326 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000640979125 653148055 /nfs/dbraw/zinc/14/80/55/653148055.db2.gz FVCMGLFDLSRRNM-UHFFFAOYSA-N 1 2 395.286 2.006 20 0 GEADLO CN(C)C(=O)CN1CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000679653123 653151272 /nfs/dbraw/zinc/15/12/72/653151272.db2.gz LJWYYZFNIVDQRK-UHFFFAOYSA-N 1 2 396.329 2.118 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000806344206 653160074 /nfs/dbraw/zinc/16/00/74/653160074.db2.gz XDNVXVBRWYUCDT-QWHCGFSZSA-N 1 2 383.290 2.479 20 0 GEADLO C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O)[N@@H+]1CCc2sccc2C1 ZINC000602236015 653160333 /nfs/dbraw/zinc/16/03/33/653160333.db2.gz OVZAHBZWZGHYKF-VRBYOYSTSA-N 1 2 381.567 2.190 20 0 GEADLO C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O)[N@H+]1CCc2sccc2C1 ZINC000602236015 653160336 /nfs/dbraw/zinc/16/03/36/653160336.db2.gz OVZAHBZWZGHYKF-VRBYOYSTSA-N 1 2 381.567 2.190 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn(CCc3cc(Cl)cc(Cl)c3)nn2)C1 ZINC000641142320 653162415 /nfs/dbraw/zinc/16/24/15/653162415.db2.gz ZYUGCQPKZIDBET-CQSZACIVSA-N 1 2 389.308 2.104 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc(F)c(F)cc2Br)CCO1 ZINC000806666739 653172548 /nfs/dbraw/zinc/17/25/48/653172548.db2.gz YAZJBMYOVKESPI-SNVBAGLBSA-N 1 2 392.244 2.247 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(F)c(F)cc2Br)CCO1 ZINC000806666739 653172549 /nfs/dbraw/zinc/17/25/49/653172549.db2.gz YAZJBMYOVKESPI-SNVBAGLBSA-N 1 2 392.244 2.247 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000641289039 653179426 /nfs/dbraw/zinc/17/94/26/653179426.db2.gz IKYQSTQOTRYPQZ-UWVGGRQHSA-N 1 2 379.326 2.276 20 0 GEADLO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000807060524 653182825 /nfs/dbraw/zinc/18/28/25/653182825.db2.gz XNELSXJJMYUQHN-APHBMKBZSA-N 1 2 383.945 2.459 20 0 GEADLO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000807060524 653182829 /nfs/dbraw/zinc/18/28/29/653182829.db2.gz XNELSXJJMYUQHN-APHBMKBZSA-N 1 2 383.945 2.459 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C)cc(C)c1Br ZINC000807281456 653188844 /nfs/dbraw/zinc/18/88/44/653188844.db2.gz VRTSHAZNSLCAII-ZDUSSCGKSA-N 1 2 380.242 2.234 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C)c(Br)c1C ZINC000807282691 653188964 /nfs/dbraw/zinc/18/89/64/653188964.db2.gz QJFTZZCUBKVZBG-CYBMUJFWSA-N 1 2 380.242 2.234 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C)c(Br)c1C ZINC000807282692 653189028 /nfs/dbraw/zinc/18/90/28/653189028.db2.gz QJFTZZCUBKVZBG-ZDUSSCGKSA-N 1 2 380.242 2.234 20 0 GEADLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)c1cn(C)c(Cl)n1)c1ccccc1 ZINC000769907608 653189092 /nfs/dbraw/zinc/18/90/92/653189092.db2.gz SACVDDZEDDOGGE-CYBMUJFWSA-N 1 2 379.873 2.069 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000641386827 653196394 /nfs/dbraw/zinc/19/63/94/653196394.db2.gz LEYJHDAABOCFHB-MAUKXSAKSA-N 1 2 382.551 2.008 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000641386827 653196398 /nfs/dbraw/zinc/19/63/98/653196398.db2.gz LEYJHDAABOCFHB-MAUKXSAKSA-N 1 2 382.551 2.008 20 0 GEADLO Cc1cc(C[NH+]2CCN(c3ncc(I)cn3)CC2)ccn1 ZINC000602732473 653203516 /nfs/dbraw/zinc/20/35/16/653203516.db2.gz IVWBOEYMBWGUBU-UHFFFAOYSA-N 1 2 395.248 2.107 20 0 GEADLO COc1cc(Br)ccc1[C@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641449230 653207407 /nfs/dbraw/zinc/20/74/07/653207407.db2.gz MSGWMYXPHVURSD-NSHDSACASA-N 1 2 388.287 2.335 20 0 GEADLO COc1ccc(I)c(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000602832331 653208814 /nfs/dbraw/zinc/20/88/14/653208814.db2.gz WUMYAJNIFIJETD-VIFPVBQESA-N 1 2 398.204 2.243 20 0 GEADLO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000770300148 653208940 /nfs/dbraw/zinc/20/89/40/653208940.db2.gz VESVSMAIVDJDMS-UHFFFAOYSA-N 1 2 395.356 2.083 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000641470928 653210566 /nfs/dbraw/zinc/21/05/66/653210566.db2.gz HYBRHARDHCLPOH-ZDUSSCGKSA-N 1 2 397.806 2.208 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)C[C@@H]1C ZINC000682485665 653212941 /nfs/dbraw/zinc/21/29/41/653212941.db2.gz SYBMVNKSXDFDGC-UONOGXRCSA-N 1 2 390.933 2.468 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)C[C@@H]1C ZINC000682485665 653212945 /nfs/dbraw/zinc/21/29/45/653212945.db2.gz SYBMVNKSXDFDGC-UONOGXRCSA-N 1 2 390.933 2.468 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2cccc(Br)n2)cn1 ZINC000808051296 653215666 /nfs/dbraw/zinc/21/56/66/653215666.db2.gz QORASEOXDCSDLD-UHFFFAOYSA-N 1 2 389.257 2.117 20 0 GEADLO O=C(NCCNC(=O)c1cccc2[nH+]ccn21)c1cccc(Br)c1 ZINC000770658695 653219693 /nfs/dbraw/zinc/21/96/93/653219693.db2.gz OVEZNLCNEDTXRH-UHFFFAOYSA-N 1 2 387.237 2.257 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000682729999 653222651 /nfs/dbraw/zinc/22/26/51/653222651.db2.gz ZYIVIMUKAYIKQF-NWDGAFQWSA-N 1 2 397.299 2.352 20 0 GEADLO C[C@@H]1[C@H](C(F)(F)F)OCCN1S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641615478 653224011 /nfs/dbraw/zinc/22/40/11/653224011.db2.gz IBNOQLRMQFEMKP-IAQYHMDHSA-N 1 2 378.416 2.015 20 0 GEADLO C[C@@H]1[C@H](C(F)(F)F)OCCN1S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641615478 653224021 /nfs/dbraw/zinc/22/40/21/653224021.db2.gz IBNOQLRMQFEMKP-IAQYHMDHSA-N 1 2 378.416 2.015 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@H](CC(F)(F)F)C2)C1 ZINC000641619309 653224491 /nfs/dbraw/zinc/22/44/91/653224491.db2.gz DBNGHVSKKGGBBG-CYBMUJFWSA-N 1 2 378.416 2.016 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@H](CC(F)(F)F)C2)C1 ZINC000641619309 653224494 /nfs/dbraw/zinc/22/44/94/653224494.db2.gz DBNGHVSKKGGBBG-CYBMUJFWSA-N 1 2 378.416 2.016 20 0 GEADLO CC(C)S(=O)(=O)CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000808364864 653228930 /nfs/dbraw/zinc/22/89/30/653228930.db2.gz ARKWNGYRAFERCG-OAHLLOKOSA-N 1 2 375.922 2.065 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000683254825 653232497 /nfs/dbraw/zinc/23/24/97/653232497.db2.gz DJUXUJDLGXGTAY-CABCVRRESA-N 1 2 392.297 2.175 20 0 GEADLO O=C(CCCn1cc[nH+]c1)NC[C@@H](CO)Cc1ccccc1Br ZINC000683256233 653232703 /nfs/dbraw/zinc/23/27/03/653232703.db2.gz MSYHBAXLHJLZJI-AWEZNQCLSA-N 1 2 380.286 2.393 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(Br)n1 ZINC000774300803 653233492 /nfs/dbraw/zinc/23/34/92/653233492.db2.gz DLFAPSMLTCTVMU-GFCCVEGCSA-N 1 2 392.257 2.151 20 0 GEADLO O=C(OCc1cccc2[nH+]ccn21)c1c(Br)nc2n1CCOC2 ZINC000857013583 653274722 /nfs/dbraw/zinc/27/47/22/653274722.db2.gz WGKSWQWGWFXPPQ-UHFFFAOYSA-N 1 2 377.198 2.181 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2Br)C[C@@H]1C ZINC000684586251 653279603 /nfs/dbraw/zinc/27/96/03/653279603.db2.gz PPSXYVVRLCTDAL-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2Br)C[C@@H]1C ZINC000684586251 653279613 /nfs/dbraw/zinc/27/96/13/653279613.db2.gz PPSXYVVRLCTDAL-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO O=C(NCC(F)(F)F)C1CC[NH+](Cc2ncc(C3OCCO3)s2)CC1 ZINC000809549116 653281621 /nfs/dbraw/zinc/28/16/21/653281621.db2.gz SNUJZRKUZGOEMV-UHFFFAOYSA-N 1 2 379.404 2.079 20 0 GEADLO CCOc1ccc(Br)cc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000684603547 653282784 /nfs/dbraw/zinc/28/27/84/653282784.db2.gz DZCKVGMFLNGYBS-UHFFFAOYSA-N 1 2 389.315 2.388 20 0 GEADLO CCOc1ccc(Br)cc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000684603547 653282793 /nfs/dbraw/zinc/28/27/93/653282793.db2.gz DZCKVGMFLNGYBS-UHFFFAOYSA-N 1 2 389.315 2.388 20 0 GEADLO Cc1cn2cc(NC(=O)c3c(Br)nc4n3CCOC4)ccc2[nH+]1 ZINC000857097929 653283927 /nfs/dbraw/zinc/28/39/27/653283927.db2.gz YKIYOJJFCYITOP-UHFFFAOYSA-N 1 2 376.214 2.384 20 0 GEADLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)c1ccccc1 ZINC000684659522 653285327 /nfs/dbraw/zinc/28/53/27/653285327.db2.gz VTHONNORENDRHD-CQSZACIVSA-N 1 2 379.873 2.069 20 0 GEADLO NS(=O)(=O)C1CC[NH+](Cc2nc3ccc(Br)cc3s2)CC1 ZINC000775107418 653288456 /nfs/dbraw/zinc/28/84/56/653288456.db2.gz KOOGOMCHDAYCEM-UHFFFAOYSA-N 1 2 390.328 2.312 20 0 GEADLO O=C(C[NH2+]Cc1cn(-c2ccccc2Br)nn1)NC1CCCC1 ZINC000685615721 653309183 /nfs/dbraw/zinc/30/91/83/653309183.db2.gz ZGAOYPPOKDJMSU-UHFFFAOYSA-N 1 2 378.274 2.178 20 0 GEADLO C[N@@H+]1CCN(C(=O)NC[C@@H]2CC2(Cl)Cl)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775405220 653312747 /nfs/dbraw/zinc/31/27/47/653312747.db2.gz BBRHCCVHJHBLRV-NWDGAFQWSA-N 1 2 395.331 2.031 20 0 GEADLO C[N@H+]1CCN(C(=O)NC[C@@H]2CC2(Cl)Cl)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775405220 653312750 /nfs/dbraw/zinc/31/27/50/653312750.db2.gz BBRHCCVHJHBLRV-NWDGAFQWSA-N 1 2 395.331 2.031 20 0 GEADLO CN(C)c1cccc2c1cccc2S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000810048424 653318853 /nfs/dbraw/zinc/31/88/53/653318853.db2.gz FBXSDNBMGKMMOW-UHFFFAOYSA-N 1 2 379.551 2.233 20 0 GEADLO C[C@]1([NH2+]CCCOc2cccc(I)c2)CCOC1=O ZINC000810094889 653324258 /nfs/dbraw/zinc/32/42/58/653324258.db2.gz GAOAVJRZSHDLSH-AWEZNQCLSA-N 1 2 375.206 2.355 20 0 GEADLO Cc1cc(C)c(CNC(=O)C(=O)Nc2ccc(C)c(Br)n2)c[nH+]1 ZINC000836038006 653325958 /nfs/dbraw/zinc/32/59/58/653325958.db2.gz ODUXBWBXVZPYMV-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000874711082 653334144 /nfs/dbraw/zinc/33/41/44/653334144.db2.gz VEIBKMGPAGVNFV-GFCCVEGCSA-N 1 2 392.244 2.366 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000874711082 653334147 /nfs/dbraw/zinc/33/41/47/653334147.db2.gz VEIBKMGPAGVNFV-GFCCVEGCSA-N 1 2 392.244 2.366 20 0 GEADLO Nc1cc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc(Br)n1 ZINC000874889922 653341459 /nfs/dbraw/zinc/34/14/59/653341459.db2.gz YZYZLFLFXSJLSL-CYBMUJFWSA-N 1 2 379.233 2.352 20 0 GEADLO C[C@@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000857901728 653342885 /nfs/dbraw/zinc/34/28/85/653342885.db2.gz NPHWTOOUYBUMGP-SNVBAGLBSA-N 1 2 386.882 2.278 20 0 GEADLO C[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1(Br)Br ZINC000857940940 653343665 /nfs/dbraw/zinc/34/36/65/653343665.db2.gz XSYAUHLUVRTFHJ-KWQFWETISA-N 1 2 377.080 2.210 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2C[C@@]2(C)Br)CC1 ZINC000858407907 653362846 /nfs/dbraw/zinc/36/28/46/653362846.db2.gz NEAGFSAWNGKKCZ-SUMWQHHRSA-N 1 2 380.286 2.186 20 0 GEADLO CC1=C(Br)CN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000811487230 653394257 /nfs/dbraw/zinc/39/42/57/653394257.db2.gz MUVPOHWEGJXQMC-OAHLLOKOSA-N 1 2 397.317 2.384 20 0 GEADLO CC1=C(Br)CN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000811487230 653394263 /nfs/dbraw/zinc/39/42/63/653394263.db2.gz MUVPOHWEGJXQMC-OAHLLOKOSA-N 1 2 397.317 2.384 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(Br)nc2F)C[C@H]1C ZINC000859088929 653403804 /nfs/dbraw/zinc/40/38/04/653403804.db2.gz YVYSXJNQKSZHNH-ZJUUUORDSA-N 1 2 380.283 2.086 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(Br)nc2F)C[C@H]1C ZINC000859088929 653403809 /nfs/dbraw/zinc/40/38/09/653403809.db2.gz YVYSXJNQKSZHNH-ZJUUUORDSA-N 1 2 380.283 2.086 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1Cl ZINC000859090780 653404274 /nfs/dbraw/zinc/40/42/74/653404274.db2.gz QYHKZFSAOOIXQB-MNOVXSKESA-N 1 2 375.878 2.231 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000859090780 653404277 /nfs/dbraw/zinc/40/42/77/653404277.db2.gz QYHKZFSAOOIXQB-MNOVXSKESA-N 1 2 375.878 2.231 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1Cl ZINC000859092801 653404353 /nfs/dbraw/zinc/40/43/53/653404353.db2.gz UHAYCIRLHJZDGZ-GHMZBOCLSA-N 1 2 375.878 2.231 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1Cl ZINC000859092801 653404358 /nfs/dbraw/zinc/40/43/58/653404358.db2.gz UHAYCIRLHJZDGZ-GHMZBOCLSA-N 1 2 375.878 2.231 20 0 GEADLO CCS(=O)(=O)c1ccc2oc(=S)n(CN3CCn4c[nH+]cc4C3)c2c1 ZINC000811788691 653405030 /nfs/dbraw/zinc/40/50/30/653405030.db2.gz PZCWJOHRWYOLBF-UHFFFAOYSA-N 1 2 378.479 2.427 20 0 GEADLO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859111446 653407276 /nfs/dbraw/zinc/40/72/76/653407276.db2.gz PVIJDZKKDXHZBL-JTQLQIEISA-N 1 2 380.283 2.134 20 0 GEADLO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859111446 653407280 /nfs/dbraw/zinc/40/72/80/653407280.db2.gz PVIJDZKKDXHZBL-JTQLQIEISA-N 1 2 380.283 2.134 20 0 GEADLO O=C(NC[C@H](O)c1ccccc1Br)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000837197815 653411022 /nfs/dbraw/zinc/41/10/22/653411022.db2.gz FHZCQKFGHVGLLD-IRXDYDNUSA-N 1 2 397.313 2.242 20 0 GEADLO O=C(NC[C@H](O)c1ccccc1Br)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000837197815 653411027 /nfs/dbraw/zinc/41/10/27/653411027.db2.gz FHZCQKFGHVGLLD-IRXDYDNUSA-N 1 2 397.313 2.242 20 0 GEADLO O=C(NC[C@@H](O)c1ccccc1Br)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000837197811 653411104 /nfs/dbraw/zinc/41/11/04/653411104.db2.gz FHZCQKFGHVGLLD-DLBZAZTESA-N 1 2 397.313 2.242 20 0 GEADLO O=C(NC[C@@H](O)c1ccccc1Br)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000837197811 653411127 /nfs/dbraw/zinc/41/11/27/653411127.db2.gz FHZCQKFGHVGLLD-DLBZAZTESA-N 1 2 397.313 2.242 20 0 GEADLO C[C@@H]1CCOCC[N@@H+]1Cn1c(=O)oc2cc(I)ccc21 ZINC000777957716 653414186 /nfs/dbraw/zinc/41/41/86/653414186.db2.gz JVUSQZQRUYJDIO-SNVBAGLBSA-N 1 2 388.205 2.267 20 0 GEADLO C[C@@H]1CCOCC[N@H+]1Cn1c(=O)oc2cc(I)ccc21 ZINC000777957716 653414191 /nfs/dbraw/zinc/41/41/91/653414191.db2.gz JVUSQZQRUYJDIO-SNVBAGLBSA-N 1 2 388.205 2.267 20 0 GEADLO O=C(c1c(Br)nc2n1CCCC2)N1CC(Oc2cc[nH+]cc2)C1 ZINC000837391792 653433598 /nfs/dbraw/zinc/43/35/98/653433598.db2.gz TWBDRWCRTLAHTL-UHFFFAOYSA-N 1 2 377.242 2.280 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Br)C1 ZINC000876592917 653437022 /nfs/dbraw/zinc/43/70/22/653437022.db2.gz RYIVGFCDGAFBOZ-JTQLQIEISA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Br)C1 ZINC000876592917 653437026 /nfs/dbraw/zinc/43/70/26/653437026.db2.gz RYIVGFCDGAFBOZ-JTQLQIEISA-N 1 2 396.738 2.108 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2csc(C(F)(F)F)c2)CC1 ZINC000859309682 653439025 /nfs/dbraw/zinc/43/90/25/653439025.db2.gz CNLLCSLYMAPEJM-UHFFFAOYSA-N 1 2 384.445 2.006 20 0 GEADLO Cc1cnc(Br)c(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000812971863 653448855 /nfs/dbraw/zinc/44/88/55/653448855.db2.gz VTMVPBVGWWAUDF-LBPRGKRZSA-N 1 2 392.257 2.151 20 0 GEADLO COC1CC[NH+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)CC1 ZINC000813090245 653460674 /nfs/dbraw/zinc/46/06/74/653460674.db2.gz ILAFIEYCICFHLA-KRWDZBQOSA-N 1 2 396.285 2.284 20 0 GEADLO NS(=O)(=O)c1cc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)ccc1Cl ZINC000877140101 653468376 /nfs/dbraw/zinc/46/83/76/653468376.db2.gz MYUIIQPEDDAVHD-KRWDZBQOSA-N 1 2 384.860 2.220 20 0 GEADLO NS(=O)(=O)c1cc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)ccc1Cl ZINC000877140101 653468382 /nfs/dbraw/zinc/46/83/82/653468382.db2.gz MYUIIQPEDDAVHD-KRWDZBQOSA-N 1 2 384.860 2.220 20 0 GEADLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000859533736 653471987 /nfs/dbraw/zinc/47/19/87/653471987.db2.gz YZLVIBYSULEAEH-UHFFFAOYSA-N 1 2 391.559 2.345 20 0 GEADLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000859533736 653471995 /nfs/dbraw/zinc/47/19/95/653471995.db2.gz YZLVIBYSULEAEH-UHFFFAOYSA-N 1 2 391.559 2.345 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc(Br)c(C)c1 ZINC000779566251 653499579 /nfs/dbraw/zinc/49/95/79/653499579.db2.gz PPSIBBGMHVUZHK-OAHLLOKOSA-N 1 2 394.269 2.245 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@H]2c2ccc(Br)cn2)CCO1 ZINC000838114572 653608961 /nfs/dbraw/zinc/60/89/61/653608961.db2.gz PMNNVSCVCAXOPS-BBRMVZONSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@H]2c2ccc(Br)cn2)CCO1 ZINC000838114572 653608996 /nfs/dbraw/zinc/60/89/96/653608996.db2.gz PMNNVSCVCAXOPS-BBRMVZONSA-N 1 2 397.317 2.411 20 0 GEADLO C[N@@H+](Cc1cn(C[C@H]2CCOC2)nn1)C[C@@H](O)c1cccc(Br)c1 ZINC000877587363 653613507 /nfs/dbraw/zinc/61/35/07/653613507.db2.gz CFVDLKGFKJXIQE-CXAGYDPISA-N 1 2 395.301 2.243 20 0 GEADLO C[N@H+](Cc1cn(C[C@H]2CCOC2)nn1)C[C@@H](O)c1cccc(Br)c1 ZINC000877587363 653613511 /nfs/dbraw/zinc/61/35/11/653613511.db2.gz CFVDLKGFKJXIQE-CXAGYDPISA-N 1 2 395.301 2.243 20 0 GEADLO Cc1ccnc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1Br ZINC000877586647 653613549 /nfs/dbraw/zinc/61/35/49/653613549.db2.gz MVSJQQBZPHAOIY-UHFFFAOYSA-N 1 2 388.331 2.152 20 0 GEADLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2ccc(I)s2)C1 ZINC000877624750 653614573 /nfs/dbraw/zinc/61/45/73/653614573.db2.gz DPWBRVRVPGCBQN-VIFPVBQESA-N 1 2 378.235 2.379 20 0 GEADLO O=C1OCCN1[C@H]1CC[N@H+](Cc2ccc(I)s2)C1 ZINC000877624750 653614577 /nfs/dbraw/zinc/61/45/77/653614577.db2.gz DPWBRVRVPGCBQN-VIFPVBQESA-N 1 2 378.235 2.379 20 0 GEADLO COc1c(C)c[nH+]c(CNCc2c(I)cnn2C)c1C ZINC000877773920 653619119 /nfs/dbraw/zinc/61/91/19/653619119.db2.gz BXHMIPODSIBZGD-UHFFFAOYSA-N 1 2 386.237 2.335 20 0 GEADLO C[NH+]1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC1 ZINC000877910332 653622859 /nfs/dbraw/zinc/62/28/59/653622859.db2.gz UAENBHYZYHNUQU-UHFFFAOYSA-N 1 2 384.665 2.071 20 0 GEADLO Cn1ncc(Br)c1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000877973750 653624860 /nfs/dbraw/zinc/62/48/60/653624860.db2.gz ZRRUKYKQUWTHGK-UHFFFAOYSA-N 1 2 383.315 2.131 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NOCc1ccc(F)cc1Br ZINC000780404853 653625472 /nfs/dbraw/zinc/62/54/72/653625472.db2.gz IATKHAQGOSFUBK-LLVKDONJSA-N 1 2 390.253 2.040 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NOCc1ccc(F)cc1Br ZINC000780404853 653625473 /nfs/dbraw/zinc/62/54/73/653625473.db2.gz IATKHAQGOSFUBK-LLVKDONJSA-N 1 2 390.253 2.040 20 0 GEADLO C[N@H+](C[C@H](O)c1cc(Br)no1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000878100116 653628830 /nfs/dbraw/zinc/62/88/30/653628830.db2.gz KUUGEEMQYYUKFL-OLZOCXBDSA-N 1 2 398.232 2.347 20 0 GEADLO C[N@@H+](C[C@H](O)c1cc(Br)no1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000878100116 653628832 /nfs/dbraw/zinc/62/88/32/653628832.db2.gz KUUGEEMQYYUKFL-OLZOCXBDSA-N 1 2 398.232 2.347 20 0 GEADLO COC(=O)c1ccc(CNC(=O)NCCc2cn(C)c[nH+]2)c(Br)c1 ZINC000838741682 653629192 /nfs/dbraw/zinc/62/91/92/653629192.db2.gz CFQLNSCKXIAZTE-UHFFFAOYSA-N 1 2 395.257 2.011 20 0 GEADLO C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000839134969 653643281 /nfs/dbraw/zinc/64/32/81/653643281.db2.gz DDQQDVMKVHEJTL-CYBMUJFWSA-N 1 2 386.290 2.432 20 0 GEADLO C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000839134969 653643284 /nfs/dbraw/zinc/64/32/84/653643284.db2.gz DDQQDVMKVHEJTL-CYBMUJFWSA-N 1 2 386.290 2.432 20 0 GEADLO C[N@H+](CCNC(=O)OC(C)(C)C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000839134971 653643361 /nfs/dbraw/zinc/64/33/61/653643361.db2.gz DDQQDVMKVHEJTL-ZDUSSCGKSA-N 1 2 386.290 2.432 20 0 GEADLO C[N@@H+](CCNC(=O)OC(C)(C)C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000839134971 653643363 /nfs/dbraw/zinc/64/33/63/653643363.db2.gz DDQQDVMKVHEJTL-ZDUSSCGKSA-N 1 2 386.290 2.432 20 0 GEADLO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2c(Cl)nc(Cl)n2C)c1 ZINC000839149878 653643595 /nfs/dbraw/zinc/64/35/95/653643595.db2.gz XSFIOMCLLXOKTB-UHFFFAOYSA-N 1 2 377.297 2.315 20 0 GEADLO Cn1ccn2c(C[N@@H+]3CC[C@@H](Sc4cccc(Cl)c4)C3)nnc2c1=O ZINC000878646763 653643710 /nfs/dbraw/zinc/64/37/10/653643710.db2.gz HPQZPDJTQSCZIG-CQSZACIVSA-N 1 2 375.885 2.448 20 0 GEADLO Cn1ccn2c(C[N@H+]3CC[C@@H](Sc4cccc(Cl)c4)C3)nnc2c1=O ZINC000878646763 653643714 /nfs/dbraw/zinc/64/37/14/653643714.db2.gz HPQZPDJTQSCZIG-CQSZACIVSA-N 1 2 375.885 2.448 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000839181008 653644038 /nfs/dbraw/zinc/64/40/38/653644038.db2.gz ZUAMFRRHXJVSTH-LLVKDONJSA-N 1 2 377.436 2.451 20 0 GEADLO COC(=O)c1cccc2c1CC[N@H+](C[C@@H](O)c1cc(Br)no1)C2 ZINC000878696764 653644892 /nfs/dbraw/zinc/64/48/92/653644892.db2.gz UFDPATGOJNNPTQ-CYBMUJFWSA-N 1 2 381.226 2.315 20 0 GEADLO COC(=O)c1cccc2c1CC[N@@H+](C[C@@H](O)c1cc(Br)no1)C2 ZINC000878696764 653644896 /nfs/dbraw/zinc/64/48/96/653644896.db2.gz UFDPATGOJNNPTQ-CYBMUJFWSA-N 1 2 381.226 2.315 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)c3cccnn3)cc2Br)CC1 ZINC000861238675 653650874 /nfs/dbraw/zinc/65/08/74/653650874.db2.gz WUCBZZBNJMXUSI-UHFFFAOYSA-N 1 2 376.258 2.243 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C[C@H](CO)O1 ZINC000815100853 653651895 /nfs/dbraw/zinc/65/18/95/653651895.db2.gz VYJXDOSNOLXGNC-IXPVHAAZSA-N 1 2 378.694 2.392 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C[C@H](CO)O1 ZINC000815100853 653651897 /nfs/dbraw/zinc/65/18/97/653651897.db2.gz VYJXDOSNOLXGNC-IXPVHAAZSA-N 1 2 378.694 2.392 20 0 GEADLO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000861346450 653655332 /nfs/dbraw/zinc/65/53/32/653655332.db2.gz IXUCCKMJDZHDKJ-BZNIZROVSA-N 1 2 375.874 2.010 20 0 GEADLO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000861346450 653655333 /nfs/dbraw/zinc/65/53/33/653655333.db2.gz IXUCCKMJDZHDKJ-BZNIZROVSA-N 1 2 375.874 2.010 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)ccc1Br ZINC000782478060 653662205 /nfs/dbraw/zinc/66/22/05/653662205.db2.gz KWNGCGSIDJEJBF-UHFFFAOYSA-N 1 2 384.255 2.094 20 0 GEADLO CO[C@H]1C[C@@H]2C[N@H+](Cc3nn(C)cc3Br)Cc3cccnc3N2C1 ZINC000879268469 653664369 /nfs/dbraw/zinc/66/43/69/653664369.db2.gz JBSGBRCFDAHIGR-KGLIPLIRSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3nn(C)cc3Br)Cc3cccnc3N2C1 ZINC000879268469 653664370 /nfs/dbraw/zinc/66/43/70/653664370.db2.gz JBSGBRCFDAHIGR-KGLIPLIRSA-N 1 2 392.301 2.187 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000839822925 653665703 /nfs/dbraw/zinc/66/57/03/653665703.db2.gz BFOJPPOTSHDHKB-HIFRSBDPSA-N 1 2 378.270 2.400 20 0 GEADLO COCC[N@H+](CN1CC[C@@H](c2cccc(Br)c2)C1=O)[C@@H]1CCOC1 ZINC000840061654 653673090 /nfs/dbraw/zinc/67/30/90/653673090.db2.gz XTZRPUKNDYRTEU-SJORKVTESA-N 1 2 397.313 2.460 20 0 GEADLO COCC[N@@H+](CN1CC[C@@H](c2cccc(Br)c2)C1=O)[C@@H]1CCOC1 ZINC000840061654 653673094 /nfs/dbraw/zinc/67/30/94/653673094.db2.gz XTZRPUKNDYRTEU-SJORKVTESA-N 1 2 397.313 2.460 20 0 GEADLO O=C1OCCN1C[C@H]1CC[N@@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000840099841 653674361 /nfs/dbraw/zinc/67/43/61/653674361.db2.gz PHHDJCGBIDHEGP-LBPRGKRZSA-N 1 2 394.269 2.137 20 0 GEADLO O=C1OCCN1C[C@H]1CC[N@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000840099841 653674363 /nfs/dbraw/zinc/67/43/63/653674363.db2.gz PHHDJCGBIDHEGP-LBPRGKRZSA-N 1 2 394.269 2.137 20 0 GEADLO Cc1nn(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c(=S)n1CCc1cccs1 ZINC000840173227 653678038 /nfs/dbraw/zinc/67/80/38/653678038.db2.gz AHHZKTDUCDWVQM-AWEZNQCLSA-N 1 2 379.555 2.394 20 0 GEADLO Cc1nn(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c(=S)n1CCc1cccs1 ZINC000840173227 653678042 /nfs/dbraw/zinc/67/80/42/653678042.db2.gz AHHZKTDUCDWVQM-AWEZNQCLSA-N 1 2 379.555 2.394 20 0 GEADLO NS(=O)(=O)c1cccc2c1CC[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000879678796 653678780 /nfs/dbraw/zinc/67/87/80/653678780.db2.gz XHKCKNFXVAQMSN-INIZCTEOSA-N 1 2 384.860 2.218 20 0 GEADLO NS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000879678796 653678782 /nfs/dbraw/zinc/67/87/82/653678782.db2.gz XHKCKNFXVAQMSN-INIZCTEOSA-N 1 2 384.860 2.218 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1c(Br)cnn1C ZINC000879761532 653681146 /nfs/dbraw/zinc/68/11/46/653681146.db2.gz KERKNTUXXJJXBX-UHFFFAOYSA-N 1 2 382.306 2.423 20 0 GEADLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000879764436 653681177 /nfs/dbraw/zinc/68/11/77/653681177.db2.gz XLJRMEMZQPGIBH-XHDPSFHLSA-N 1 2 380.794 2.223 20 0 GEADLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000879764436 653681181 /nfs/dbraw/zinc/68/11/81/653681181.db2.gz XLJRMEMZQPGIBH-XHDPSFHLSA-N 1 2 380.794 2.223 20 0 GEADLO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(Br)n1 ZINC000862369695 653684576 /nfs/dbraw/zinc/68/45/76/653684576.db2.gz FAFDSXRWTPUNGC-VIFPVBQESA-N 1 2 383.212 2.073 20 0 GEADLO Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(Br)n1 ZINC000862369695 653684577 /nfs/dbraw/zinc/68/45/77/653684577.db2.gz FAFDSXRWTPUNGC-VIFPVBQESA-N 1 2 383.212 2.073 20 0 GEADLO O=C(C[NH+]1CCC(CO)(CO)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000879970185 653690584 /nfs/dbraw/zinc/69/05/84/653690584.db2.gz YULCVXSRIWWECB-UHFFFAOYSA-N 1 2 380.794 2.364 20 0 GEADLO CS(=O)(=O)N1CCN(c2ccc(NCc3cc(Cl)cs3)c[nH+]2)CC1 ZINC000784281944 653691392 /nfs/dbraw/zinc/69/13/92/653691392.db2.gz GUXGTEMGYOBVMR-UHFFFAOYSA-N 1 2 386.930 2.490 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C(F)(F)F ZINC000880024742 653692745 /nfs/dbraw/zinc/69/27/45/653692745.db2.gz NJUXKEHVESXPMH-NWDGAFQWSA-N 1 2 388.452 2.056 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C(F)(F)F ZINC000880024742 653692749 /nfs/dbraw/zinc/69/27/49/653692749.db2.gz NJUXKEHVESXPMH-NWDGAFQWSA-N 1 2 388.452 2.056 20 0 GEADLO Cn1cc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(Br)n1 ZINC000880041487 653693570 /nfs/dbraw/zinc/69/35/70/653693570.db2.gz SACIANSQMCHBDO-UHFFFAOYSA-N 1 2 379.262 2.368 20 0 GEADLO Cc1cc(NCCNC(=O)c2cnn(C)c2Br)nc(C(C)C)[nH+]1 ZINC000862860661 653696892 /nfs/dbraw/zinc/69/68/92/653696892.db2.gz JQCXZFLQLNUKHG-UHFFFAOYSA-N 1 2 381.278 2.246 20 0 GEADLO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)C1CCSCC1 ZINC000840927651 653701693 /nfs/dbraw/zinc/70/16/93/653701693.db2.gz ZNQFCRHBLWQHEG-QGZVFWFLSA-N 1 2 378.563 2.433 20 0 GEADLO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)C1CCSCC1 ZINC000840927651 653701694 /nfs/dbraw/zinc/70/16/94/653701694.db2.gz ZNQFCRHBLWQHEG-QGZVFWFLSA-N 1 2 378.563 2.433 20 0 GEADLO COC(=O)NCCc1ccc(S(=O)(=O)NCc2cc(C)[nH+]c(C)c2)s1 ZINC000817141012 653702601 /nfs/dbraw/zinc/70/26/01/653702601.db2.gz FGLVHKMAXGVQQO-UHFFFAOYSA-N 1 2 383.495 2.137 20 0 GEADLO CC[C@H](Sc1nc(CC(=O)NCc2cc(C)[nH+]c(C)c2)cs1)C(N)=O ZINC000880322085 653703428 /nfs/dbraw/zinc/70/34/28/653703428.db2.gz CXQKPWUQKADSOU-AWEZNQCLSA-N 1 2 378.523 2.370 20 0 GEADLO CC[C@@H](NC(=S)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)c1cccs1 ZINC000863209950 653703581 /nfs/dbraw/zinc/70/35/81/653703581.db2.gz GZYCQVIVVMZPNI-KDOFPFPSSA-N 1 2 383.583 2.279 20 0 GEADLO CC[C@@H](NC(=S)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)c1cccs1 ZINC000863209950 653703583 /nfs/dbraw/zinc/70/35/83/653703583.db2.gz GZYCQVIVVMZPNI-KDOFPFPSSA-N 1 2 383.583 2.279 20 0 GEADLO COC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H](O)c1cc(Br)no1)C2 ZINC000880351428 653704445 /nfs/dbraw/zinc/70/44/45/653704445.db2.gz SUWSDIOVNVGZOM-ZDUSSCGKSA-N 1 2 381.226 2.315 20 0 GEADLO COC(=O)c1ccc2c(c1)CC[N@H+](C[C@H](O)c1cc(Br)no1)C2 ZINC000880351428 653704450 /nfs/dbraw/zinc/70/44/50/653704450.db2.gz SUWSDIOVNVGZOM-ZDUSSCGKSA-N 1 2 381.226 2.315 20 0 GEADLO CN(CCOCC[N@H+](C)Cn1cc(Br)cn1)C(=O)OC(C)(C)C ZINC000863308095 653706186 /nfs/dbraw/zinc/70/61/86/653706186.db2.gz QXXMYJFKGFQNIJ-UHFFFAOYSA-N 1 2 391.310 2.418 20 0 GEADLO CN(CCOCC[N@@H+](C)Cn1cc(Br)cn1)C(=O)OC(C)(C)C ZINC000863308095 653706187 /nfs/dbraw/zinc/70/61/87/653706187.db2.gz QXXMYJFKGFQNIJ-UHFFFAOYSA-N 1 2 391.310 2.418 20 0 GEADLO O=C(NCc1cc(=O)[nH]c(=S)[nH]1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000880512102 653707187 /nfs/dbraw/zinc/70/71/87/653707187.db2.gz UJYLNBYSRHJWLZ-AWEZNQCLSA-N 1 2 378.885 2.405 20 0 GEADLO O=C(NCc1cc(=O)[nH]c(=S)[nH]1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000880512102 653707191 /nfs/dbraw/zinc/70/71/91/653707191.db2.gz UJYLNBYSRHJWLZ-AWEZNQCLSA-N 1 2 378.885 2.405 20 0 GEADLO COc1cc(Br)ccc1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000880627352 653709515 /nfs/dbraw/zinc/70/95/15/653709515.db2.gz DQSZDMQVTIBPPU-ZDUSSCGKSA-N 1 2 384.274 2.396 20 0 GEADLO Cc1cc(CNC(=O)C(=O)Nc2cnc(Br)c(C)c2)cc(C)[nH+]1 ZINC000817392421 653710147 /nfs/dbraw/zinc/71/01/47/653710147.db2.gz QYLBTCJZFGIOFA-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817541741 653713859 /nfs/dbraw/zinc/71/38/59/653713859.db2.gz DDRXKXBAPYHXNG-GFCCVEGCSA-N 1 2 397.249 2.237 20 0 GEADLO O=S(=O)(c1cccc2scnc21)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000841518865 653725782 /nfs/dbraw/zinc/72/57/82/653725782.db2.gz PTSQZGPUDDSDJN-CQSZACIVSA-N 1 2 381.523 2.029 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000864414743 653735339 /nfs/dbraw/zinc/73/53/39/653735339.db2.gz WIVOPLVPKWIJTM-CXAGYDPISA-N 1 2 395.301 2.327 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000787269437 653736381 /nfs/dbraw/zinc/73/63/81/653736381.db2.gz ARRDHFSTCRAHSD-GFCCVEGCSA-N 1 2 390.285 2.216 20 0 GEADLO Cn1ncc(Br)c1C[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000787269437 653736382 /nfs/dbraw/zinc/73/63/82/653736382.db2.gz ARRDHFSTCRAHSD-GFCCVEGCSA-N 1 2 390.285 2.216 20 0 GEADLO CCC[NH+]1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)CC1 ZINC000881751628 653737327 /nfs/dbraw/zinc/73/73/27/653737327.db2.gz ZAGLWWZSZZGLJU-UHFFFAOYSA-N 1 2 383.212 2.100 20 0 GEADLO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n[nH]1 ZINC000787383932 653737903 /nfs/dbraw/zinc/73/79/03/653737903.db2.gz RSEFBHWUYXQIKV-UHFFFAOYSA-N 1 2 378.274 2.485 20 0 GEADLO O=S(=O)(c1cnc(Cl)cc1C(F)(F)F)N1CC[NH+](CC2CC2)CC1 ZINC000881799471 653740306 /nfs/dbraw/zinc/74/03/06/653740306.db2.gz BTIHKMZAQSMVDR-UHFFFAOYSA-N 1 2 383.823 2.470 20 0 GEADLO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000864865914 653747186 /nfs/dbraw/zinc/74/71/86/653747186.db2.gz LEUBBPZQBUVSFK-UHFFFAOYSA-N 1 2 388.281 2.051 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC[C@H](O)c2ccc(Cl)cc2)C1 ZINC000881914988 653749888 /nfs/dbraw/zinc/74/98/88/653749888.db2.gz VMLWEIPPWWPXHE-KRWDZBQOSA-N 1 2 380.897 2.340 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NC[C@H](O)c2ccc(Cl)cc2)C1 ZINC000881914988 653749891 /nfs/dbraw/zinc/74/98/91/653749891.db2.gz VMLWEIPPWWPXHE-KRWDZBQOSA-N 1 2 380.897 2.340 20 0 GEADLO COc1cc(Br)c(NC(=O)/C=C\C[NH+]2CCOCC2)cc1OC ZINC000864982418 653750351 /nfs/dbraw/zinc/75/03/51/653750351.db2.gz SGRZHONZSVJRCS-ARJAWSKDSA-N 1 2 385.258 2.293 20 0 GEADLO C[C@@H](CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1)S(C)(=O)=O ZINC000819475763 653751311 /nfs/dbraw/zinc/75/13/11/653751311.db2.gz UDBYEHYVVSUBJE-LBPRGKRZSA-N 1 2 390.347 2.046 20 0 GEADLO Cc1ccc(OS(=O)(=O)CCn2cc[nH+]c2)c(I)c1 ZINC000881958854 653752932 /nfs/dbraw/zinc/75/29/32/653752932.db2.gz XNEPPFYCKYKZAE-UHFFFAOYSA-N 1 2 392.218 2.205 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)c2cccc3c(Br)cccc23)CC1 ZINC000865163708 653755769 /nfs/dbraw/zinc/75/57/69/653755769.db2.gz OYPQESHEHODWLH-UHFFFAOYSA-N 1 2 390.281 2.236 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)c2cccc3c(Br)cccc23)CC1 ZINC000865163708 653755772 /nfs/dbraw/zinc/75/57/72/653755772.db2.gz OYPQESHEHODWLH-UHFFFAOYSA-N 1 2 390.281 2.236 20 0 GEADLO O=c1c(Br)c(N2CC[C@@H]([NH+]3CC=CC3)C2)cnn1CC(F)(F)F ZINC000882022052 653757793 /nfs/dbraw/zinc/75/77/93/653757793.db2.gz NALLUZDKHNFYPV-SNVBAGLBSA-N 1 2 393.207 2.019 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000882030176 653758332 /nfs/dbraw/zinc/75/83/32/653758332.db2.gz RMTXISHPYWUAQC-HLLBOEOZSA-N 1 2 384.592 2.332 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000882030176 653758334 /nfs/dbraw/zinc/75/83/34/653758334.db2.gz RMTXISHPYWUAQC-HLLBOEOZSA-N 1 2 384.592 2.332 20 0 GEADLO C[C@H](CNC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)[NH+]1CCN(C)CC1 ZINC000788661206 653762472 /nfs/dbraw/zinc/76/24/72/653762472.db2.gz JHWZEJAXNKIKCW-LLVKDONJSA-N 1 2 378.826 2.048 20 0 GEADLO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1nc(Br)ccc1F ZINC000788663561 653762497 /nfs/dbraw/zinc/76/24/97/653762497.db2.gz HBUCXTXADVEFQC-GXFFZTMASA-N 1 2 386.265 2.414 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)C1 ZINC000882132423 653764689 /nfs/dbraw/zinc/76/46/89/653764689.db2.gz CQRBYEONMDWJAA-JBEBIEQOSA-N 1 2 388.559 2.275 20 0 GEADLO Cc1ccnc(C[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c1Br ZINC000865476187 653766340 /nfs/dbraw/zinc/76/63/40/653766340.db2.gz BXBWHVPIPLYMAC-LBPRGKRZSA-N 1 2 378.274 2.171 20 0 GEADLO Cc1ccnc(CNc2cnn(CC[NH+]3CCOCC3)c2)c1Br ZINC000865512062 653767134 /nfs/dbraw/zinc/76/71/34/653767134.db2.gz CFKRCYKMUMATLU-UHFFFAOYSA-N 1 2 380.290 2.293 20 0 GEADLO Cc1ccc(Br)c(NC2CC[NH+](CCS(C)(=O)=O)CC2)n1 ZINC000865531579 653767793 /nfs/dbraw/zinc/76/77/93/653767793.db2.gz PXHBPIKPIHKSRQ-UHFFFAOYSA-N 1 2 376.320 2.073 20 0 GEADLO CSC1(CNS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC[NH+](C)CC1 ZINC000882207425 653769655 /nfs/dbraw/zinc/76/96/55/653769655.db2.gz UULZDHPLILUQMH-HSZRJFAPSA-N 1 2 397.632 2.079 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)/C=C/c2ccccc2Br)C1 ZINC000842881144 653771718 /nfs/dbraw/zinc/77/17/18/653771718.db2.gz JCUZTEWKPQAULX-MRZGDXHCSA-N 1 2 377.279 2.383 20 0 GEADLO O=C(OCC1CN(c2cccc[nH+]2)C1)c1c(Br)nc2n1CCC2 ZINC000842883015 653771721 /nfs/dbraw/zinc/77/17/21/653771721.db2.gz GJNQNKPAYWQNDZ-UHFFFAOYSA-N 1 2 377.242 2.280 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)CSc1ccc(F)c(F)c1 ZINC000842967385 653775573 /nfs/dbraw/zinc/77/55/73/653775573.db2.gz SYBLKAOQQOSWII-CHWSQXEVSA-N 1 2 375.437 2.336 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)CSc1ccc(F)c(F)c1 ZINC000842967385 653775574 /nfs/dbraw/zinc/77/55/74/653775574.db2.gz SYBLKAOQQOSWII-CHWSQXEVSA-N 1 2 375.437 2.336 20 0 GEADLO C[NH+](C)C1(CNC(=O)c2cc(Br)cc(F)c2O)CCOCC1 ZINC000865876534 653778549 /nfs/dbraw/zinc/77/85/49/653778549.db2.gz QFBDUDNRRHFJRI-UHFFFAOYSA-N 1 2 375.238 2.134 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)no1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000865942000 653780878 /nfs/dbraw/zinc/78/08/78/653780878.db2.gz MJXFCQXBURZJTA-DOMZBBRYSA-N 1 2 394.269 2.456 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)no1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000865942000 653780880 /nfs/dbraw/zinc/78/08/80/653780880.db2.gz MJXFCQXBURZJTA-DOMZBBRYSA-N 1 2 394.269 2.456 20 0 GEADLO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC000820792736 653783590 /nfs/dbraw/zinc/78/35/90/653783590.db2.gz GUYRLDVZDUJCRI-LBPRGKRZSA-N 1 2 391.320 2.314 20 0 GEADLO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC000820792736 653783594 /nfs/dbraw/zinc/78/35/94/653783594.db2.gz GUYRLDVZDUJCRI-LBPRGKRZSA-N 1 2 391.320 2.314 20 0 GEADLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc2onc(Cl)c2c1 ZINC000820794912 653783708 /nfs/dbraw/zinc/78/37/08/653783708.db2.gz NJPVQXIKVKEUTF-NSHDSACASA-N 1 2 378.841 2.433 20 0 GEADLO COc1cc(Br)cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000821015828 653788857 /nfs/dbraw/zinc/78/88/57/653788857.db2.gz SOLMBHFUXIZBOQ-HNNXBMFYSA-N 1 2 383.286 2.395 20 0 GEADLO CN1CC[NH+](CCCS(=O)(=O)Oc2ccc(Cl)c3cccnc23)CC1 ZINC000866421152 653794396 /nfs/dbraw/zinc/79/43/96/653794396.db2.gz WKPDOYYATZVKHW-UHFFFAOYSA-N 1 2 383.901 2.234 20 0 GEADLO Cn1nc(Br)cc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000821462002 653798839 /nfs/dbraw/zinc/79/88/39/653798839.db2.gz KYQMMKBRHUGTLR-UHFFFAOYSA-N 1 2 379.262 2.500 20 0 GEADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000882735148 653801268 /nfs/dbraw/zinc/80/12/68/653801268.db2.gz XBRJHOWTACTWEL-AWEZNQCLSA-N 1 2 377.242 2.105 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)nc1F ZINC000866539873 653801399 /nfs/dbraw/zinc/80/13/99/653801399.db2.gz RFVBSXSDKAXEST-UHFFFAOYSA-N 1 2 384.864 2.212 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000882736979 653802043 /nfs/dbraw/zinc/80/20/43/653802043.db2.gz XGOLBIORKBFBEO-BMIGLBTASA-N 1 2 391.269 2.421 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000882736979 653802045 /nfs/dbraw/zinc/80/20/45/653802045.db2.gz XGOLBIORKBFBEO-BMIGLBTASA-N 1 2 391.269 2.421 20 0 GEADLO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866581171 653803784 /nfs/dbraw/zinc/80/37/84/653803784.db2.gz CDOISADIDKLHTH-YPMHNXCESA-N 1 2 399.314 2.286 20 0 GEADLO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866581171 653803791 /nfs/dbraw/zinc/80/37/91/653803791.db2.gz CDOISADIDKLHTH-YPMHNXCESA-N 1 2 399.314 2.286 20 0 GEADLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866581170 653803926 /nfs/dbraw/zinc/80/39/26/653803926.db2.gz CDOISADIDKLHTH-WCQYABFASA-N 1 2 399.314 2.286 20 0 GEADLO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866581170 653803929 /nfs/dbraw/zinc/80/39/29/653803929.db2.gz CDOISADIDKLHTH-WCQYABFASA-N 1 2 399.314 2.286 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cc(Br)cc(F)c2F)CC1 ZINC000844308617 653804925 /nfs/dbraw/zinc/80/49/25/653804925.db2.gz UOXUAUJZJKJWPG-OAQYLSRUSA-N 1 2 381.286 2.223 20 0 GEADLO O=C(Cc1cccnc1Br)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000791358070 653810481 /nfs/dbraw/zinc/81/04/81/653810481.db2.gz FFODHLSYFKIBPG-HNNXBMFYSA-N 1 2 382.302 2.100 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000866732929 653816233 /nfs/dbraw/zinc/81/62/33/653816233.db2.gz YOKIUIVRWYTNRO-RZFZLAGVSA-N 1 2 386.474 2.061 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000895237316 653824318 /nfs/dbraw/zinc/82/43/18/653824318.db2.gz RHARBHZLYPIXSD-UHFFFAOYSA-N 1 2 397.264 2.310 20 0 GEADLO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1onc(C2CC2)c1Cl ZINC000866793866 653827326 /nfs/dbraw/zinc/82/73/26/653827326.db2.gz SSUFWHFEMACFAN-ZDUSSCGKSA-N 1 2 389.905 2.127 20 0 GEADLO Cn1nc2c(c1C[NH2+][C@H](C(N)=O)c1cccc(Br)c1)CSCC2 ZINC000883107260 653827717 /nfs/dbraw/zinc/82/77/17/653827717.db2.gz SIVCKSJRLIYFNM-HNNXBMFYSA-N 1 2 395.326 2.288 20 0 GEADLO C[C@]1(CCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@@]1(F)Cl ZINC000844913397 653828983 /nfs/dbraw/zinc/82/89/83/653828983.db2.gz VUXDPNNISXOPPD-XHSDSOJGSA-N 1 2 379.929 2.198 20 0 GEADLO C[NH+](C)CC[C@@H](N)c1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000844921367 653829753 /nfs/dbraw/zinc/82/97/53/653829753.db2.gz YQXIAFVLGMAYPE-LLVKDONJSA-N 1 2 392.261 2.236 20 0 GEADLO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]Cc1cnc(Br)cn1 ZINC000895406351 653832886 /nfs/dbraw/zinc/83/28/86/653832886.db2.gz BOIRTMIJYDIMDO-UHFFFAOYSA-N 1 2 382.262 2.218 20 0 GEADLO C[N@H+](Cc1ccns1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000895452417 653835409 /nfs/dbraw/zinc/83/54/09/653835409.db2.gz LYOXWWRMUBIEHT-UHFFFAOYSA-N 1 2 376.301 2.185 20 0 GEADLO C[N@@H+](Cc1ccns1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000895452417 653835411 /nfs/dbraw/zinc/83/54/11/653835411.db2.gz LYOXWWRMUBIEHT-UHFFFAOYSA-N 1 2 376.301 2.185 20 0 GEADLO OC[C@H]1C[N@@H+](Cc2cc(Br)c(Br)s2)C[C@H]1CO ZINC000895462304 653836477 /nfs/dbraw/zinc/83/64/77/653836477.db2.gz LVZLMLYGTABBRW-OCAPTIKFSA-N 1 2 385.121 2.306 20 0 GEADLO OC[C@H]1C[N@H+](Cc2cc(Br)c(Br)s2)C[C@H]1CO ZINC000895462304 653836474 /nfs/dbraw/zinc/83/64/74/653836474.db2.gz LVZLMLYGTABBRW-OCAPTIKFSA-N 1 2 385.121 2.306 20 0 GEADLO COc1ccc(OCc2nc(C[NH2+][C@H]3C[C@H](S(C)(=O)=O)C3)cs2)cc1 ZINC000883378947 653838016 /nfs/dbraw/zinc/83/80/16/653838016.db2.gz GQRPKHCGCJZQIR-YGUOUDRMSA-N 1 2 382.507 2.396 20 0 GEADLO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2ncc(Br)cc2O)CC1 ZINC000895514237 653839118 /nfs/dbraw/zinc/83/91/18/653839118.db2.gz PDXGZRFHDHTSRS-INIZCTEOSA-N 1 2 381.274 2.229 20 0 GEADLO C[N@@H+]1CCC[C@H](CNS(=O)(=O)N=S2(=O)CCCC2)[C@H]1c1cccs1 ZINC000866863452 653840257 /nfs/dbraw/zinc/84/02/57/653840257.db2.gz ACJSXZDGOKAFRN-HIFRSBDPSA-N 1 2 391.584 2.227 20 0 GEADLO C[N@H+]1CCC[C@H](CNS(=O)(=O)N=S2(=O)CCCC2)[C@H]1c1cccs1 ZINC000866863452 653840259 /nfs/dbraw/zinc/84/02/59/653840259.db2.gz ACJSXZDGOKAFRN-HIFRSBDPSA-N 1 2 391.584 2.227 20 0 GEADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCCn1cc(Br)cn1 ZINC000822894510 653844886 /nfs/dbraw/zinc/84/48/86/653844886.db2.gz COUVUZDXSKXFLK-JTQLQIEISA-N 1 2 380.168 2.152 20 0 GEADLO COc1nc(Br)ccc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000822906113 653845418 /nfs/dbraw/zinc/84/54/18/653845418.db2.gz CFBNYYCIGRRAMU-QWRGUYRKSA-N 1 2 387.278 2.083 20 0 GEADLO COc1nc(Br)ccc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000822906113 653845424 /nfs/dbraw/zinc/84/54/24/653845424.db2.gz CFBNYYCIGRRAMU-QWRGUYRKSA-N 1 2 387.278 2.083 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000866931143 653851429 /nfs/dbraw/zinc/85/14/29/653851429.db2.gz ZKGFSOPWRIPWJE-NVXWUHKLSA-N 1 2 387.571 2.382 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000866931143 653851430 /nfs/dbraw/zinc/85/14/30/653851430.db2.gz ZKGFSOPWRIPWJE-NVXWUHKLSA-N 1 2 387.571 2.382 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000866958800 653855439 /nfs/dbraw/zinc/85/54/39/653855439.db2.gz OWHGAHXOPUPVON-WDNXAPGXSA-N 1 2 382.511 2.168 20 0 GEADLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000895926624 653856996 /nfs/dbraw/zinc/85/69/96/653856996.db2.gz IWLUGJFXGTYPGV-CMPLNLGQSA-N 1 2 377.304 2.096 20 0 GEADLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000895926624 653856999 /nfs/dbraw/zinc/85/69/99/653856999.db2.gz IWLUGJFXGTYPGV-CMPLNLGQSA-N 1 2 377.304 2.096 20 0 GEADLO C[C@]1(CS(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1(Cl)Cl ZINC000866970086 653858010 /nfs/dbraw/zinc/85/80/10/653858010.db2.gz XSUWSUGJJICIPA-HZSPNIEDSA-N 1 2 385.357 2.133 20 0 GEADLO O=C(Cn1cc(C[NH+]2CCC(O)CC2)nn1)Nc1ccc(Cl)cc1Cl ZINC000883992331 653859867 /nfs/dbraw/zinc/85/98/67/653859867.db2.gz LEWKVZKHRYKZGP-UHFFFAOYSA-N 1 2 384.267 2.180 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000793242936 653872210 /nfs/dbraw/zinc/87/22/10/653872210.db2.gz REQAMLRHEAPNQZ-UHFFFAOYSA-N 1 2 376.214 2.163 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000793256847 653872590 /nfs/dbraw/zinc/87/25/90/653872590.db2.gz DFHQAWCKMZOVCH-UHFFFAOYSA-N 1 2 395.257 2.480 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000823628515 653874744 /nfs/dbraw/zinc/87/47/44/653874744.db2.gz VPBZREFGPATSKY-ZWNOBZJWSA-N 1 2 389.253 2.203 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C(C)(C)C1 ZINC000846015275 653880817 /nfs/dbraw/zinc/88/08/17/653880817.db2.gz LEIBLAYMADLPLN-UHFFFAOYSA-N 1 2 382.313 2.120 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C(C)(C)C1 ZINC000846015275 653880818 /nfs/dbraw/zinc/88/08/18/653880818.db2.gz LEIBLAYMADLPLN-UHFFFAOYSA-N 1 2 382.313 2.120 20 0 GEADLO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)[C@H]1CN(C)CC[N@@H+]1C ZINC000896526040 653882457 /nfs/dbraw/zinc/88/24/57/653882457.db2.gz FNFDXOLLAVPTJU-XOYXNHQRSA-N 1 2 392.341 2.085 20 0 GEADLO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)[C@H]1CN(C)CC[N@H+]1C ZINC000896526040 653882458 /nfs/dbraw/zinc/88/24/58/653882458.db2.gz FNFDXOLLAVPTJU-XOYXNHQRSA-N 1 2 392.341 2.085 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896551364 653885100 /nfs/dbraw/zinc/88/51/00/653885100.db2.gz YOJOJQZQFYDPPV-CKEIUWERSA-N 1 2 382.346 2.378 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896551364 653885101 /nfs/dbraw/zinc/88/51/01/653885101.db2.gz YOJOJQZQFYDPPV-CKEIUWERSA-N 1 2 382.346 2.378 20 0 GEADLO OCCOCC1(O)CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000884722561 653886359 /nfs/dbraw/zinc/88/63/59/653886359.db2.gz AZPBOROLINWRFX-UHFFFAOYSA-N 1 2 381.270 2.338 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C1 ZINC000867198350 653892526 /nfs/dbraw/zinc/89/25/26/653892526.db2.gz INDZOIRNWAFQBD-BSEYFRJRSA-N 1 2 382.511 2.001 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccccc2C(F)F)CC1 ZINC000824429766 653894768 /nfs/dbraw/zinc/89/47/68/653894768.db2.gz YQWWAHPSYNLSLO-UHFFFAOYSA-N 1 2 375.441 2.255 20 0 GEADLO Cc1[nH]c(CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)[nH+]c1C ZINC000896923712 653899569 /nfs/dbraw/zinc/89/95/69/653899569.db2.gz PBCAFYKUYKHJHT-AWEZNQCLSA-N 1 2 391.269 2.458 20 0 GEADLO CCN1C[C@@H](C[NH+]2CCN(Cc3ccc(Br)s3)CC2)OC1=O ZINC000846772743 653909994 /nfs/dbraw/zinc/90/99/94/653909994.db2.gz VDCYEYAZPIAFML-GFCCVEGCSA-N 1 2 388.331 2.469 20 0 GEADLO Ic1cnn2c1C[N@H+](Cc1cnn3ccccc13)CC2 ZINC000897291376 653914751 /nfs/dbraw/zinc/91/47/51/653914751.db2.gz LYTUDGNDDZKAMF-UHFFFAOYSA-N 1 2 379.205 2.151 20 0 GEADLO Ic1cnn2c1C[N@@H+](Cc1cnn3ccccc13)CC2 ZINC000897291376 653914753 /nfs/dbraw/zinc/91/47/53/653914753.db2.gz LYTUDGNDDZKAMF-UHFFFAOYSA-N 1 2 379.205 2.151 20 0 GEADLO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ncc(I)s1 ZINC000897343185 653916870 /nfs/dbraw/zinc/91/68/70/653916870.db2.gz MCIYOJABUNJTEN-JTQLQIEISA-N 1 2 379.267 2.142 20 0 GEADLO CCON(C)C(=O)C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000826139861 653947513 /nfs/dbraw/zinc/94/75/13/653947513.db2.gz QNFIPWZAYYBJGJ-UHFFFAOYSA-N 1 2 396.079 2.417 20 0 GEADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1c(Br)nc2n1CCC2 ZINC000825090548 653917339 /nfs/dbraw/zinc/91/73/39/653917339.db2.gz BNLIQDXUDSIZGX-UHFFFAOYSA-N 1 2 390.285 2.386 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c(C)c1Cl ZINC000867423328 653930768 /nfs/dbraw/zinc/93/07/68/653930768.db2.gz CHWRWCGSHLKYHU-NSHDSACASA-N 1 2 392.930 2.211 20 0 GEADLO O=S1(=O)C[C@H]2C[N@H+](Cc3ccnc4c(Br)cccc34)C[C@H]2C1 ZINC000897617879 653930925 /nfs/dbraw/zinc/93/09/25/653930925.db2.gz GGIZOMGAPLAXLT-BETUJISGSA-N 1 2 381.295 2.474 20 0 GEADLO O=S1(=O)C[C@H]2C[N@@H+](Cc3ccnc4c(Br)cccc34)C[C@H]2C1 ZINC000897617879 653930930 /nfs/dbraw/zinc/93/09/30/653930930.db2.gz GGIZOMGAPLAXLT-BETUJISGSA-N 1 2 381.295 2.474 20 0 GEADLO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000885460011 653933977 /nfs/dbraw/zinc/93/39/77/653933977.db2.gz SWXFNTRJMTZNQV-CDEUHXGRSA-N 1 2 389.518 2.086 20 0 GEADLO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000885460011 653933980 /nfs/dbraw/zinc/93/39/80/653933980.db2.gz SWXFNTRJMTZNQV-CDEUHXGRSA-N 1 2 389.518 2.086 20 0 GEADLO O=C(c1csc(I)n1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000825738226 653938990 /nfs/dbraw/zinc/93/89/90/653938990.db2.gz KSQJWLKEIYDJDG-MRVPVSSYSA-N 1 2 388.234 2.491 20 0 GEADLO O=C1NC(=O)C2(C[NH+](Cc3ccc(-c4ccc(Br)cc4)o3)C2)N1 ZINC000897908410 653943371 /nfs/dbraw/zinc/94/33/71/653943371.db2.gz SYAUDNFCUAOLQQ-UHFFFAOYSA-N 1 2 376.210 2.103 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000825928328 653943911 /nfs/dbraw/zinc/94/39/11/653943911.db2.gz RMFOMKNDOJPPLO-UHFFFAOYSA-N 1 2 392.244 2.366 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000825928328 653943914 /nfs/dbraw/zinc/94/39/14/653943914.db2.gz RMFOMKNDOJPPLO-UHFFFAOYSA-N 1 2 392.244 2.366 20 0 GEADLO COC(=O)c1sccc1C[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897978014 653947211 /nfs/dbraw/zinc/94/72/11/653947211.db2.gz KIKYQGLCBNUTSW-LLVKDONJSA-N 1 2 396.266 2.345 20 0 GEADLO O=C1C[C@@H](C(F)F)CN1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000795424616 653951346 /nfs/dbraw/zinc/95/13/46/653951346.db2.gz UJASGFJWHQKJDW-SNVBAGLBSA-N 1 2 377.233 2.354 20 0 GEADLO Fc1cccc(C[NH2+]Cc2cnc3n2CCOC3)c1I ZINC000898264075 653960995 /nfs/dbraw/zinc/96/09/95/653960995.db2.gz SKBOCSFLNRRGGA-UHFFFAOYSA-N 1 2 387.196 2.447 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)n1 ZINC000898312944 653962284 /nfs/dbraw/zinc/96/22/84/653962284.db2.gz PYLUBNYYUVLVER-MNOVXSKESA-N 1 2 378.420 2.238 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H]2COCCN2CC(F)(F)F)n1 ZINC000898313189 653962350 /nfs/dbraw/zinc/96/23/50/653962350.db2.gz VDDKOKCKWPOVIM-GFCCVEGCSA-N 1 2 380.436 2.187 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)c(F)cc1Cl ZINC000795765798 653965512 /nfs/dbraw/zinc/96/55/12/653965512.db2.gz COUVDMWGEMYWBN-UHFFFAOYSA-N 1 2 392.880 2.228 20 0 GEADLO Cc1nc(Cl)ccc1S(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000867655665 653969176 /nfs/dbraw/zinc/96/91/76/653969176.db2.gz VEIKTTUKKYUZMA-UHFFFAOYSA-N 1 2 398.941 2.470 20 0 GEADLO CC(C)(CNS(=O)(=O)c1cc(Br)cnc1Cl)n1cc[nH+]c1 ZINC000867723119 653977245 /nfs/dbraw/zinc/97/72/45/653977245.db2.gz XBYFUSIPGAMQRD-UHFFFAOYSA-N 1 2 393.694 2.408 20 0 GEADLO CCOC(=O)c1nn(C[N@@H+]2C[C@@H]3CCCC[C@]3(C(=O)OC)C2)c(=S)s1 ZINC000848491519 653981065 /nfs/dbraw/zinc/98/10/65/653981065.db2.gz UQFGKBCFMGOGDG-ZBEGNZNMSA-N 1 2 385.511 2.473 20 0 GEADLO CCOC(=O)c1nn(C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)OC)C2)c(=S)s1 ZINC000848491519 653981068 /nfs/dbraw/zinc/98/10/68/653981068.db2.gz UQFGKBCFMGOGDG-ZBEGNZNMSA-N 1 2 385.511 2.473 20 0 GEADLO CC[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000886470524 653988829 /nfs/dbraw/zinc/98/88/29/653988829.db2.gz QCPFDRMOOQDHAM-NSHDSACASA-N 1 2 377.869 2.152 20 0 GEADLO CC[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000886470524 653988834 /nfs/dbraw/zinc/98/88/34/653988834.db2.gz QCPFDRMOOQDHAM-NSHDSACASA-N 1 2 377.869 2.152 20 0 GEADLO COc1cc(Br)c(Cl)cc1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898891437 653990939 /nfs/dbraw/zinc/99/09/39/653990939.db2.gz IVZSSSIVIIAODL-LLVKDONJSA-N 1 2 388.649 2.308 20 0 GEADLO CC(=O)N[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1cccc(Br)c1 ZINC000898911362 653991850 /nfs/dbraw/zinc/99/18/50/653991850.db2.gz PTWDPTBJGASJMP-OAHLLOKOSA-N 1 2 393.285 2.374 20 0 GEADLO CC(C)(CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)n1cc[nH+]c1 ZINC000898910116 653991886 /nfs/dbraw/zinc/99/18/86/653991886.db2.gz ZGZBSLFCJHGZEZ-UHFFFAOYSA-N 1 2 381.885 2.394 20 0 GEADLO O=c1[nH]ccn2c(C[NH2+][C@H]3CCCOc4ccc(Br)cc43)nnc12 ZINC000886703187 653995232 /nfs/dbraw/zinc/99/52/32/653995232.db2.gz OKDUVDSMHWQYQJ-LBPRGKRZSA-N 1 2 390.241 2.184 20 0 GEADLO Cc1cc(C)c(Br)c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000899060687 653997842 /nfs/dbraw/zinc/99/78/42/653997842.db2.gz YAKTXTKHNPBKFH-UHFFFAOYSA-N 1 2 383.286 2.245 20 0 GEADLO Cc1cc(C)c(Br)c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC000899060687 653997846 /nfs/dbraw/zinc/99/78/46/653997846.db2.gz YAKTXTKHNPBKFH-UHFFFAOYSA-N 1 2 383.286 2.245 20 0 GEADLO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1ncc(Cl)n1C ZINC000796516375 653999812 /nfs/dbraw/zinc/99/98/12/653999812.db2.gz SANQIBVTHUTCAJ-UHFFFAOYSA-N 1 2 377.297 2.103 20 0 GEADLO O=C(COC(=O)c1ncccc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000796564650 654000174 /nfs/dbraw/zinc/00/01/74/654000174.db2.gz AAZNIJAMIPBCIS-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(Cc3nnsc3Cl)C2)CC1 ZINC000796621303 654002543 /nfs/dbraw/zinc/00/25/43/654002543.db2.gz PSPMVKGLYXETDH-LBPRGKRZSA-N 1 2 387.937 2.319 20 0 GEADLO COc1cccc([C@H]2CN(C(=O)c3ccc(Br)[nH]c3=O)CC[NH2+]2)c1 ZINC000827944018 654013975 /nfs/dbraw/zinc/01/39/75/654013975.db2.gz UOJISQWGJDKBSL-CQSZACIVSA-N 1 2 392.253 2.345 20 0 GEADLO COc1ccc([C@H]2CN(C(=O)c3ccc(Br)[nH]c3=O)CC[NH2+]2)cc1 ZINC000827943933 654013978 /nfs/dbraw/zinc/01/39/78/654013978.db2.gz ROUJEJVGFLPMRM-CQSZACIVSA-N 1 2 392.253 2.345 20 0 GEADLO COc1cccc([C@H]2CN(C(=O)c3c(C)[nH]nc3Br)CC[NH2+]2)c1 ZINC000827944049 654013983 /nfs/dbraw/zinc/01/39/83/654013983.db2.gz VGJPHKNNQJNEOC-CYBMUJFWSA-N 1 2 379.258 2.276 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000868150920 654020803 /nfs/dbraw/zinc/02/08/03/654020803.db2.gz OOZFBNZJRWRWQU-NLVOMGJBSA-N 1 2 380.286 2.300 20 0 GEADLO COC(=O)c1cc(C2C[NH+](C[C@H](O)c3ccccc3Br)C2)[nH]n1 ZINC000899914688 654036685 /nfs/dbraw/zinc/03/66/85/654036685.db2.gz OTLNGAIXGMGWIF-HNNXBMFYSA-N 1 2 380.242 2.092 20 0 GEADLO Cc1cc(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc(Cl)n1 ZINC000797589388 654037087 /nfs/dbraw/zinc/03/70/87/654037087.db2.gz LNVINHKGROBLHL-UHFFFAOYSA-N 1 2 380.901 2.013 20 0 GEADLO C[C@@H]([NH2+]Cc1cccnc1F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000797585049 654037205 /nfs/dbraw/zinc/03/72/05/654037205.db2.gz BIEBUYXCYAYCCV-SECBINFHSA-N 1 2 388.262 2.481 20 0 GEADLO CC1=CCC[N@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000797822988 654043035 /nfs/dbraw/zinc/04/30/35/654043035.db2.gz IVEJBPNJYDOSFL-UHFFFAOYSA-N 1 2 378.226 2.354 20 0 GEADLO CC1=CCC[N@@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000797822988 654043044 /nfs/dbraw/zinc/04/30/44/654043044.db2.gz IVEJBPNJYDOSFL-UHFFFAOYSA-N 1 2 378.226 2.354 20 0 GEADLO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000868630793 654047043 /nfs/dbraw/zinc/04/70/43/654047043.db2.gz AVPLQEAOUWIUMA-CQSZACIVSA-N 1 2 393.285 2.034 20 0 GEADLO COC[C@H](NC(=O)NCCc1cn(C)c[nH+]1)c1cccc(Br)c1 ZINC000868691887 654050415 /nfs/dbraw/zinc/05/04/15/654050415.db2.gz BFQJPHWTTBDMAI-HNNXBMFYSA-N 1 2 381.274 2.412 20 0 GEADLO CC[C@@H](c1nnc(S[C@@H]2CCSC2)n1CCN1CCOCC1)[NH+](C)C ZINC000849849681 654059069 /nfs/dbraw/zinc/05/90/69/654059069.db2.gz FOBGTDVOJORKND-CABCVRRESA-N 1 2 385.603 2.221 20 0 GEADLO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)C(=O)OC(C)(C)C ZINC000798396997 654061506 /nfs/dbraw/zinc/06/15/06/654061506.db2.gz OWRZQFJOKTYVFF-LBPRGKRZSA-N 1 2 376.906 2.328 20 0 GEADLO NC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000798426580 654062441 /nfs/dbraw/zinc/06/24/41/654062441.db2.gz BFXKKLJETWOMHB-UHFFFAOYSA-N 1 2 376.825 2.425 20 0 GEADLO CC(C)n1ncc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000869190307 654075816 /nfs/dbraw/zinc/07/58/16/654075816.db2.gz PQPLVGYURWWZIT-RWMBFGLXSA-N 1 2 387.322 2.454 20 0 GEADLO CC(C)n1ncc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000869190307 654075818 /nfs/dbraw/zinc/07/58/18/654075818.db2.gz PQPLVGYURWWZIT-RWMBFGLXSA-N 1 2 387.322 2.454 20 0 GEADLO C[C@@H](Cn1cncn1)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000850464587 654078339 /nfs/dbraw/zinc/07/83/39/654078339.db2.gz VLLDRNZGIJZTQA-ZDUSSCGKSA-N 1 2 379.306 2.293 20 0 GEADLO Cn1cc([C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c2cccc(F)c2)cn1 ZINC000850517936 654080899 /nfs/dbraw/zinc/08/08/99/654080899.db2.gz ACZYJUOJZOLYSB-CQSZACIVSA-N 1 2 379.379 2.215 20 0 GEADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC=C(Br)C1 ZINC000799327929 654092683 /nfs/dbraw/zinc/09/26/83/654092683.db2.gz IXAZQTXLYWGNFA-CQSZACIVSA-N 1 2 379.302 2.103 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)NCc1ccc(Br)c(F)c1F ZINC000869437266 654096639 /nfs/dbraw/zinc/09/66/39/654096639.db2.gz UCYDXDKRUXAFSY-OWOJBTEDSA-N 1 2 375.213 2.232 20 0 GEADLO C[C@@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000830107372 654099031 /nfs/dbraw/zinc/09/90/31/654099031.db2.gz OVRMJEZGPLUKDN-RISCZKNCSA-N 1 2 382.873 2.058 20 0 GEADLO C[C@@H](O)[C@H](C)Sc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000916722440 654105897 /nfs/dbraw/zinc/10/58/97/654105897.db2.gz KZSUBHWBJNYNHD-OLZOCXBDSA-N 1 2 383.539 2.042 20 0 GEADLO O=S(=O)(CCN1CCC[N@H+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000917052765 654112481 /nfs/dbraw/zinc/11/24/81/654112481.db2.gz NXFGSJDSQSKPOE-QGZVFWFLSA-N 1 2 386.945 2.300 20 0 GEADLO O=S(=O)(CCN1CCC[N@@H+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000917052765 654112482 /nfs/dbraw/zinc/11/24/82/654112482.db2.gz NXFGSJDSQSKPOE-QGZVFWFLSA-N 1 2 386.945 2.300 20 0 GEADLO Cn1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(Br)n1 ZINC000888903038 654113073 /nfs/dbraw/zinc/11/30/73/654113073.db2.gz KEBVNYRBKHWCTD-UHFFFAOYSA-N 1 2 379.258 2.267 20 0 GEADLO CS(=O)(=O)CCOCCNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000799938134 654122034 /nfs/dbraw/zinc/12/20/34/654122034.db2.gz BCJWDWUPXVANNN-UHFFFAOYSA-N 1 2 391.262 2.031 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cncc(Br)c1C ZINC000851102180 654129848 /nfs/dbraw/zinc/12/98/48/654129848.db2.gz KXVJWOOMAGZIIG-AAEUAGOBSA-N 1 2 387.274 2.045 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cncc(Br)c1C ZINC000851102180 654129853 /nfs/dbraw/zinc/12/98/53/654129853.db2.gz KXVJWOOMAGZIIG-AAEUAGOBSA-N 1 2 387.274 2.045 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CCO1 ZINC000800125084 654130550 /nfs/dbraw/zinc/13/05/50/654130550.db2.gz AEYASKQBKMLSFD-ABAIWWIYSA-N 1 2 384.885 2.407 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CCO1 ZINC000800125084 654130557 /nfs/dbraw/zinc/13/05/57/654130557.db2.gz AEYASKQBKMLSFD-ABAIWWIYSA-N 1 2 384.885 2.407 20 0 GEADLO O=C([O-])[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000901619734 654135212 /nfs/dbraw/zinc/13/52/12/654135212.db2.gz WVEBQGDJEHZVQY-JKSUJKDBSA-N 1 2 383.286 2.418 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)Cc2ccccc2I)CCO1 ZINC000800186932 654135706 /nfs/dbraw/zinc/13/57/06/654135706.db2.gz HJLSEAPGYYOHLG-GFCCVEGCSA-N 1 2 389.233 2.098 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)Cc2ccccc2I)CCO1 ZINC000800186932 654135714 /nfs/dbraw/zinc/13/57/14/654135714.db2.gz HJLSEAPGYYOHLG-GFCCVEGCSA-N 1 2 389.233 2.098 20 0 GEADLO C[C@@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000870059906 654141560 /nfs/dbraw/zinc/14/15/60/654141560.db2.gz NRWZLAXMBWAORI-PBHICJAKSA-N 1 2 397.313 2.112 20 0 GEADLO C[C@H](Sc1ccccc1Cl)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870070014 654141952 /nfs/dbraw/zinc/14/19/52/654141952.db2.gz OLMWDQFEEDENKK-LSDHHAIUSA-N 1 2 384.929 2.380 20 0 GEADLO Cc1cc2c(CC(=O)N3CCO[C@H](C[NH+]4CCOCC4)C3)csc2s1 ZINC000870077627 654142657 /nfs/dbraw/zinc/14/26/57/654142657.db2.gz OGSVOETVOYPLEQ-OAHLLOKOSA-N 1 2 380.535 2.373 20 0 GEADLO COc1cccc([C@@H]2CN(C(=O)c3c[nH]c(=O)c(Br)c3)CC[NH2+]2)c1 ZINC000870151018 654146800 /nfs/dbraw/zinc/14/68/00/654146800.db2.gz RTNXXNMAYNSBOM-HNNXBMFYSA-N 1 2 392.253 2.345 20 0 GEADLO CC1(C)OC[C@H](CC[NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)O1 ZINC000851715331 654171631 /nfs/dbraw/zinc/17/16/31/654171631.db2.gz QAXIMVJJKVJRDE-HNNXBMFYSA-N 1 2 388.917 2.188 20 0 GEADLO O=C(C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1)Nc1ccc(Cl)nc1 ZINC000851716326 654171772 /nfs/dbraw/zinc/17/17/72/654171772.db2.gz IUHPYRPLGGDDHA-UHFFFAOYSA-N 1 2 378.782 2.064 20 0 GEADLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](CCn2cnc(Br)n2)C1 ZINC000851835591 654188141 /nfs/dbraw/zinc/18/81/41/654188141.db2.gz AYSSNBDXKPBNKG-CYBMUJFWSA-N 1 2 397.252 2.076 20 0 GEADLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](CCn2cnc(Br)n2)C1 ZINC000851835591 654188143 /nfs/dbraw/zinc/18/81/43/654188143.db2.gz AYSSNBDXKPBNKG-CYBMUJFWSA-N 1 2 397.252 2.076 20 0 GEADLO C[C@@H](NS(=O)(=O)c1sc2ccccc2c1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000919982687 654197974 /nfs/dbraw/zinc/19/79/74/654197974.db2.gz VYWKDFGKAVXFGG-DGCLKSJQSA-N 1 2 387.958 2.467 20 0 GEADLO C[C@@H](NS(=O)(=O)c1sc2ccccc2c1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000919982687 654197980 /nfs/dbraw/zinc/19/79/80/654197980.db2.gz VYWKDFGKAVXFGG-DGCLKSJQSA-N 1 2 387.958 2.467 20 0 GEADLO C[C@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000919999597 654198436 /nfs/dbraw/zinc/19/84/36/654198436.db2.gz KNVDDBGCUYQMPH-GWCFXTLKSA-N 1 2 399.866 2.271 20 0 GEADLO C[C@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCN1C ZINC000919999597 654198442 /nfs/dbraw/zinc/19/84/42/654198442.db2.gz KNVDDBGCUYQMPH-GWCFXTLKSA-N 1 2 399.866 2.271 20 0 GEADLO NC(=O)c1c(NC(=O)C[N@@H+]2CCSC[C@H]2C2CC2)sc2c1CCCC2 ZINC000831772821 654207890 /nfs/dbraw/zinc/20/78/90/654207890.db2.gz AFFWEVRENTXBDD-ZDUSSCGKSA-N 1 2 379.551 2.492 20 0 GEADLO NC(=O)c1c(NC(=O)C[N@H+]2CCSC[C@H]2C2CC2)sc2c1CCCC2 ZINC000831772821 654207899 /nfs/dbraw/zinc/20/78/99/654207899.db2.gz AFFWEVRENTXBDD-ZDUSSCGKSA-N 1 2 379.551 2.492 20 0 GEADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2CC2(Cl)Cl)C1 ZINC000851970426 654209629 /nfs/dbraw/zinc/20/96/29/654209629.db2.gz WHAHQLQALFJHHD-JKSUJKDBSA-N 1 2 385.339 2.296 20 0 GEADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2CC2(Cl)Cl)C1 ZINC000851970426 654209638 /nfs/dbraw/zinc/20/96/38/654209638.db2.gz WHAHQLQALFJHHD-JKSUJKDBSA-N 1 2 385.339 2.296 20 0 GEADLO Brc1ccc(-c2nnc(C[NH2+][C@@H]3CCO[C@@]34CCOC4)[nH]2)cc1 ZINC000903125884 654218777 /nfs/dbraw/zinc/21/87/77/654218777.db2.gz PDHYRDAMCJEXKS-CZUORRHYSA-N 1 2 379.258 2.272 20 0 GEADLO Brc1ccc(-c2n[nH]c(C[NH2+][C@@H]3CCO[C@@]34CCOC4)n2)cc1 ZINC000903125884 654218784 /nfs/dbraw/zinc/21/87/84/654218784.db2.gz PDHYRDAMCJEXKS-CZUORRHYSA-N 1 2 379.258 2.272 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1F)C[C@@H](O)CO ZINC000852179629 654223437 /nfs/dbraw/zinc/22/34/37/654223437.db2.gz KVPGKMPXXZEFHQ-CQSZACIVSA-N 1 2 376.856 2.159 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccc(Cl)cc1F)C[C@@H](O)CO ZINC000852179629 654223441 /nfs/dbraw/zinc/22/34/41/654223441.db2.gz KVPGKMPXXZEFHQ-CQSZACIVSA-N 1 2 376.856 2.159 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852190717 654224566 /nfs/dbraw/zinc/22/45/66/654224566.db2.gz FEYPOPCLBMASSJ-XHDPSFHLSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852190717 654224572 /nfs/dbraw/zinc/22/45/72/654224572.db2.gz FEYPOPCLBMASSJ-XHDPSFHLSA-N 1 2 376.284 2.047 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)NCCS(=O)(=O)CC1CC1)c1ccc(Cl)cc1 ZINC000802253635 654224962 /nfs/dbraw/zinc/22/49/62/654224962.db2.gz FYASAYDBTBRNIZ-MRXNPFEDSA-N 1 2 387.933 2.067 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)c(F)c1Cl ZINC000903214810 654227698 /nfs/dbraw/zinc/22/76/98/654227698.db2.gz VVPILPRWWQOJCS-SNVBAGLBSA-N 1 2 393.843 2.045 20 0 GEADLO O=C(Oc1ccc(Br)c(F)c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000903306371 654233285 /nfs/dbraw/zinc/23/32/85/654233285.db2.gz ZTVVHZMSNCXVED-DOMZBBRYSA-N 1 2 388.233 2.373 20 0 GEADLO C/C(=C\C(=O)N[C@](C)(CO)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000890631105 654233995 /nfs/dbraw/zinc/23/39/95/654233995.db2.gz ZRQRIKQNPIQXOL-PMXLPMHFSA-N 1 2 397.313 2.051 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2cccc(Br)c2)n1 ZINC000921078949 654234716 /nfs/dbraw/zinc/23/47/16/654234716.db2.gz ABIFKRAYVILRRM-UHFFFAOYSA-N 1 2 390.328 2.446 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(OCC(F)F)cc2)n1 ZINC000921092939 654235285 /nfs/dbraw/zinc/23/52/85/654235285.db2.gz JJPBGWZPLNJWAE-UHFFFAOYSA-N 1 2 391.465 2.327 20 0 GEADLO CC(=O)NC[C@@H]1CCC[N@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000802726121 654237030 /nfs/dbraw/zinc/23/70/30/654237030.db2.gz DLQRLPHFJXRZOH-ZDUSSCGKSA-N 1 2 380.286 2.211 20 0 GEADLO CC(=O)NC[C@@H]1CCC[N@@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000802726121 654237031 /nfs/dbraw/zinc/23/70/31/654237031.db2.gz DLQRLPHFJXRZOH-ZDUSSCGKSA-N 1 2 380.286 2.211 20 0 GEADLO C[C@@H]1CS(=O)(=O)CCCN1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000921173031 654237416 /nfs/dbraw/zinc/23/74/16/654237416.db2.gz CULAXDKNDHGPJQ-CJNGLKHVSA-N 1 2 387.933 2.161 20 0 GEADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)s1 ZINC000903424547 654238573 /nfs/dbraw/zinc/23/85/73/654238573.db2.gz YAZDPTINCOHTMO-NSHDSACASA-N 1 2 383.495 2.176 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cc1OC ZINC000852432355 654239152 /nfs/dbraw/zinc/23/91/52/654239152.db2.gz MNEYRKAWGDYINY-GFCCVEGCSA-N 1 2 385.258 2.493 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)cc1OC ZINC000852432355 654239154 /nfs/dbraw/zinc/23/91/54/654239154.db2.gz MNEYRKAWGDYINY-GFCCVEGCSA-N 1 2 385.258 2.493 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852436112 654239824 /nfs/dbraw/zinc/23/98/24/654239824.db2.gz VNSVRBAHBPGEHB-RISCZKNCSA-N 1 2 382.258 2.303 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852436112 654239827 /nfs/dbraw/zinc/23/98/27/654239827.db2.gz VNSVRBAHBPGEHB-RISCZKNCSA-N 1 2 382.258 2.303 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCc2ccc(Br)c(F)c2C1 ZINC000921280664 654242010 /nfs/dbraw/zinc/24/20/10/654242010.db2.gz HYLAAGZXLSEBKS-UHFFFAOYSA-N 1 2 388.262 2.173 20 0 GEADLO COC1CC[NH+](Cc2cn(C[C@@H](O)c3ccc(Br)cc3)nn2)CC1 ZINC000871619125 654246864 /nfs/dbraw/zinc/24/68/64/654246864.db2.gz KDSANRGQQKIMSU-QGZVFWFLSA-N 1 2 395.301 2.385 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1Br ZINC000921322116 654247670 /nfs/dbraw/zinc/24/76/70/654247670.db2.gz NRPRSXYYVKJQST-STQMWFEESA-N 1 2 391.356 2.307 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccccc1Br ZINC000921322116 654247674 /nfs/dbraw/zinc/24/76/74/654247674.db2.gz NRPRSXYYVKJQST-STQMWFEESA-N 1 2 391.356 2.307 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1c(Cl)ccnc1Cl ZINC000921322861 654248334 /nfs/dbraw/zinc/24/83/34/654248334.db2.gz YUTMSDLHRTUOKG-GHMZBOCLSA-N 1 2 382.338 2.247 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1c(Cl)ccnc1Cl ZINC000921322861 654248341 /nfs/dbraw/zinc/24/83/41/654248341.db2.gz YUTMSDLHRTUOKG-GHMZBOCLSA-N 1 2 382.338 2.247 20 0 GEADLO COC[C@@H](C)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921330390 654249325 /nfs/dbraw/zinc/24/93/25/654249325.db2.gz HTJPLSRMVNXJQU-BPLDGKMQSA-N 1 2 380.432 2.004 20 0 GEADLO COC[C@@H](C)S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921330390 654249327 /nfs/dbraw/zinc/24/93/27/654249327.db2.gz HTJPLSRMVNXJQU-BPLDGKMQSA-N 1 2 380.432 2.004 20 0 GEADLO CCOCCS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921330529 654249348 /nfs/dbraw/zinc/24/93/48/654249348.db2.gz KOHFXQVMENEMQH-HUUCEWRRSA-N 1 2 380.432 2.005 20 0 GEADLO CCOCCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921330529 654249350 /nfs/dbraw/zinc/24/93/50/654249350.db2.gz KOHFXQVMENEMQH-HUUCEWRRSA-N 1 2 380.432 2.005 20 0 GEADLO COC[C@H](C)S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921330391 654249407 /nfs/dbraw/zinc/24/94/07/654249407.db2.gz HTJPLSRMVNXJQU-NWANDNLSSA-N 1 2 380.432 2.004 20 0 GEADLO COC[C@H](C)S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921330391 654249410 /nfs/dbraw/zinc/24/94/10/654249410.db2.gz HTJPLSRMVNXJQU-NWANDNLSSA-N 1 2 380.432 2.004 20 0 GEADLO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(O)cccc3OC(F)(F)F)[C@@H]2C1 ZINC000921347741 654253001 /nfs/dbraw/zinc/25/30/01/654253001.db2.gz YTVFPDWEWZJEIF-GHMZBOCLSA-N 1 2 380.388 2.006 20 0 GEADLO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(O)cccc3OC(F)(F)F)[C@@H]2C1 ZINC000921347741 654253004 /nfs/dbraw/zinc/25/30/04/654253004.db2.gz YTVFPDWEWZJEIF-GHMZBOCLSA-N 1 2 380.388 2.006 20 0 GEADLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000832414483 654265279 /nfs/dbraw/zinc/26/52/79/654265279.db2.gz JGPFNDGCGOSXLD-CQSZACIVSA-N 1 2 387.933 2.147 20 0 GEADLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000832414483 654265284 /nfs/dbraw/zinc/26/52/84/654265284.db2.gz JGPFNDGCGOSXLD-CQSZACIVSA-N 1 2 387.933 2.147 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832673217 654286139 /nfs/dbraw/zinc/28/61/39/654286139.db2.gz PPPJSBXIFGQALF-CQSZACIVSA-N 1 2 381.274 2.393 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832673217 654286142 /nfs/dbraw/zinc/28/61/42/654286142.db2.gz PPPJSBXIFGQALF-CQSZACIVSA-N 1 2 381.274 2.393 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1nc(Br)c[nH]1)c1ccc(Cl)cc1 ZINC000921605464 654291906 /nfs/dbraw/zinc/29/19/06/654291906.db2.gz BATSDFRPBJZXAY-UHFFFAOYSA-N 1 2 378.679 2.389 20 0 GEADLO CC(C)(O)C[C@H](O)C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000871966629 654293823 /nfs/dbraw/zinc/29/38/23/654293823.db2.gz UFJFVCIYZRLULK-LBPRGKRZSA-N 1 2 381.826 2.398 20 0 GEADLO CC(C)(O)C[C@@H](O)C[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000871975748 654297717 /nfs/dbraw/zinc/29/77/17/654297717.db2.gz NOKCSAMFBGACCR-GFCCVEGCSA-N 1 2 375.296 2.273 20 0 GEADLO Cn1nc2c(c1C[NH+]1CCN(c3ccc(Br)cn3)CC1)CCC2 ZINC000891600873 654302460 /nfs/dbraw/zinc/30/24/60/654302460.db2.gz AYWPTQWQCLUNCY-UHFFFAOYSA-N 1 2 376.302 2.389 20 0 GEADLO Cn1nc(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)ccc1=O ZINC000891647742 654305016 /nfs/dbraw/zinc/30/50/16/654305016.db2.gz WVFNPAHRQLKOKO-INIZCTEOSA-N 1 2 391.269 2.318 20 0 GEADLO CCOC(=O)c1ncc(Br)c(NCCc2cn3ccccc3[nH+]2)n1 ZINC000891667017 654305580 /nfs/dbraw/zinc/30/55/80/654305580.db2.gz FRDYCAOWFCKTJQ-UHFFFAOYSA-N 1 2 390.241 2.140 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000921705741 654308466 /nfs/dbraw/zinc/30/84/66/654308466.db2.gz WPBKUEYNZOCAFA-UHFFFAOYSA-N 1 2 380.539 2.113 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000853605774 654309284 /nfs/dbraw/zinc/30/92/84/654309284.db2.gz IPYJVPHAUOZPAH-ABAIWWIYSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000853605774 654309289 /nfs/dbraw/zinc/30/92/89/654309289.db2.gz IPYJVPHAUOZPAH-ABAIWWIYSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853606100 654309482 /nfs/dbraw/zinc/30/94/82/654309482.db2.gz KJJSGWMLROUSNA-SMDDNHRTSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853606100 654309485 /nfs/dbraw/zinc/30/94/85/654309485.db2.gz KJJSGWMLROUSNA-SMDDNHRTSA-N 1 2 376.284 2.047 20 0 GEADLO COc1ccc(CN2CC[C@@H]([NH2+]Cc3nc(Br)c[nH]3)C2=O)cc1 ZINC000921747469 654317744 /nfs/dbraw/zinc/31/77/44/654317744.db2.gz OWIOSKRFAKNNET-CYBMUJFWSA-N 1 2 379.258 2.072 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2nc(-c3cccc(OC)c3)cs2)CC1 ZINC000892013117 654324621 /nfs/dbraw/zinc/32/46/21/654324621.db2.gz INRKOJRAPOAHCR-UHFFFAOYSA-N 1 2 381.523 2.332 20 0 GEADLO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000872434196 654334102 /nfs/dbraw/zinc/33/41/02/654334102.db2.gz INALOXOSIRWLLU-XMMPIXPASA-N 1 2 384.527 2.162 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCCSC[C@H]1C1CC1 ZINC000892258665 654336869 /nfs/dbraw/zinc/33/68/69/654336869.db2.gz DOKDVCQUTNUAPH-FUHWJXTLSA-N 1 2 385.599 2.121 20 0 GEADLO CC[NH2+]Cc1noc(CNC(=O)Cn2ccc3ccc(Br)cc32)n1 ZINC000854132222 654341598 /nfs/dbraw/zinc/34/15/98/654341598.db2.gz PNMJWRZQEKEYFK-UHFFFAOYSA-N 1 2 392.257 2.213 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000834708997 654344711 /nfs/dbraw/zinc/34/47/11/654344711.db2.gz IIZJKTVGRGHVMO-LLVKDONJSA-N 1 2 392.244 2.319 20 0 GEADLO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1nc(Br)cs1 ZINC000834726509 654345328 /nfs/dbraw/zinc/34/53/28/654345328.db2.gz RGHQNRHDERYYIQ-QXEWZRGKSA-N 1 2 384.303 2.484 20 0 GEADLO Cc1nc(C[NH2+][C@H]2CCCN(c3ncc[nH]c3=O)C2)sc1Br ZINC000922030450 654357639 /nfs/dbraw/zinc/35/76/39/654357639.db2.gz ZGNULGBUTCSZQZ-JTQLQIEISA-N 1 2 384.303 2.056 20 0 GEADLO O=C(c1ccncc1)N1CCC([NH2+]Cc2ncc(Br)cc2O)CC1 ZINC000892778877 654363624 /nfs/dbraw/zinc/36/36/24/654363624.db2.gz OTZWUQRECCXKNO-UHFFFAOYSA-N 1 2 391.269 2.339 20 0 GEADLO COc1cc(Br)cc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000922076474 654363818 /nfs/dbraw/zinc/36/38/18/654363818.db2.gz HAHYSJLSVBTUSU-ZDUSSCGKSA-N 1 2 379.258 2.468 20 0 GEADLO CCn1c(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)nc(Br)c1Br ZINC000922101751 654367320 /nfs/dbraw/zinc/36/73/20/654367320.db2.gz XSGRWXVUYCFTKI-APPZFPTMSA-N 1 2 394.111 2.042 20 0 GEADLO CO[C@@H]1CC[N@H+](CN2C(=O)C[C@@]3(CCc4cc(Br)ccc43)C2=O)C1 ZINC000872588474 654375951 /nfs/dbraw/zinc/37/59/51/654375951.db2.gz GYBZPEHWFACGTP-RDTXWAMCSA-N 1 2 393.281 2.070 20 0 GEADLO CO[C@@H]1CC[N@@H+](CN2C(=O)C[C@@]3(CCc4cc(Br)ccc43)C2=O)C1 ZINC000872588474 654375953 /nfs/dbraw/zinc/37/59/53/654375953.db2.gz GYBZPEHWFACGTP-RDTXWAMCSA-N 1 2 393.281 2.070 20 0 GEADLO O=C(NCc1cc(Br)no1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000854706035 654375987 /nfs/dbraw/zinc/37/59/87/654375987.db2.gz ZGNDNGRWXIZTHJ-MRXNPFEDSA-N 1 2 394.269 2.251 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000922291307 654381812 /nfs/dbraw/zinc/38/18/12/654381812.db2.gz XEMZQXSSYDZFAB-JSGCOSHPSA-N 1 2 385.306 2.315 20 0 GEADLO Cn1cc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c(Br)n1 ZINC000893149767 654385904 /nfs/dbraw/zinc/38/59/04/654385904.db2.gz LTGWIIKWLNPYSJ-UHFFFAOYSA-N 1 2 396.314 2.061 20 0 GEADLO CC(C)c1nnc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)s1 ZINC000893178813 654387589 /nfs/dbraw/zinc/38/75/89/654387589.db2.gz IBDDUVQWKVXAQW-UHFFFAOYSA-N 1 2 380.948 2.445 20 0 GEADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000854955066 654391133 /nfs/dbraw/zinc/39/11/33/654391133.db2.gz PJYMTGLBHPZGEO-RYUDHWBXSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000854955066 654391137 /nfs/dbraw/zinc/39/11/37/654391137.db2.gz PJYMTGLBHPZGEO-RYUDHWBXSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000854955067 654391332 /nfs/dbraw/zinc/39/13/32/654391332.db2.gz PJYMTGLBHPZGEO-VXGBXAGGSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000854955067 654391335 /nfs/dbraw/zinc/39/13/35/654391335.db2.gz PJYMTGLBHPZGEO-VXGBXAGGSA-N 1 2 391.256 2.454 20 0 GEADLO O=C(CCc1ccccc1)N1CCC[N@@H+](CC[S@](=O)C(F)(F)F)CC1 ZINC000905940842 654392556 /nfs/dbraw/zinc/39/25/56/654392556.db2.gz RJGHVXAGDJECCJ-VWLOTQADSA-N 1 2 376.444 2.422 20 0 GEADLO O=C(CCc1ccccc1)N1CCC[N@H+](CC[S@](=O)C(F)(F)F)CC1 ZINC000905940842 654392561 /nfs/dbraw/zinc/39/25/61/654392561.db2.gz RJGHVXAGDJECCJ-VWLOTQADSA-N 1 2 376.444 2.422 20 0 GEADLO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1cn(C)nc1Br ZINC000922466848 654395585 /nfs/dbraw/zinc/39/55/85/654395585.db2.gz SMXIPHGBWSLSCG-LLVKDONJSA-N 1 2 382.258 2.413 20 0 GEADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CN2CCOC2=S)C[C@H]1C(F)(F)F ZINC000872811188 654397883 /nfs/dbraw/zinc/39/78/83/654397883.db2.gz ZQCOPWNLSWMDTJ-GHMZBOCLSA-N 1 2 383.436 2.196 20 0 GEADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CN2CCOC2=S)C[C@H]1C(F)(F)F ZINC000872811188 654397886 /nfs/dbraw/zinc/39/78/86/654397886.db2.gz ZQCOPWNLSWMDTJ-GHMZBOCLSA-N 1 2 383.436 2.196 20 0 GEADLO COc1ccc(C[NH+](C)C)cc1NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000906064647 654412106 /nfs/dbraw/zinc/41/21/06/654412106.db2.gz MUVKMAJDXUVYLF-QHCPKHFHSA-N 1 2 377.532 2.310 20 0 GEADLO C[C@H](NCc1cccc(F)c1I)[C@@H]1C[N@H+](C)CCO1 ZINC000873081887 654413379 /nfs/dbraw/zinc/41/33/79/654413379.db2.gz VEPABUHSVPQMTE-GWCFXTLKSA-N 1 2 378.229 2.239 20 0 GEADLO C[C@H](NCc1cccc(F)c1I)[C@@H]1C[N@@H+](C)CCO1 ZINC000873081887 654413382 /nfs/dbraw/zinc/41/33/82/654413382.db2.gz VEPABUHSVPQMTE-GWCFXTLKSA-N 1 2 378.229 2.239 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cnc(Cl)c(Br)c2)[C@H](C)CO1 ZINC000855408623 654417455 /nfs/dbraw/zinc/41/74/55/654417455.db2.gz WXJXBTNGUOLHJF-NXEZZACHSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cnc(Cl)c(Br)c2)[C@H](C)CO1 ZINC000855408623 654417456 /nfs/dbraw/zinc/41/74/56/654417456.db2.gz WXJXBTNGUOLHJF-NXEZZACHSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cn(C(C)(C)C)nc2Br)[C@@H](C)CO1 ZINC000855412057 654417501 /nfs/dbraw/zinc/41/75/01/654417501.db2.gz RUNXCPJTSYJULR-NWDGAFQWSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cn(C(C)(C)C)nc2Br)[C@@H](C)CO1 ZINC000855412057 654417504 /nfs/dbraw/zinc/41/75/04/654417504.db2.gz RUNXCPJTSYJULR-NWDGAFQWSA-N 1 2 387.322 2.240 20 0 GEADLO COc1ccc(C[NH+]2CCN(Cc3nc(Br)nn3C)CC2)cc1F ZINC000893909435 654430839 /nfs/dbraw/zinc/43/08/39/654430839.db2.gz NGSMZDZDSWOYJG-UHFFFAOYSA-N 1 2 398.280 2.043 20 0 GEADLO Cc1nnc([C@H]2CCC[N@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)[nH]1 ZINC000894094158 654446065 /nfs/dbraw/zinc/44/60/65/654446065.db2.gz KDTNBDFXGMQOJE-LBPRGKRZSA-N 1 2 382.921 2.439 20 0 GEADLO Cc1nnc([C@H]2CCC[N@@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)[nH]1 ZINC000894094158 654446069 /nfs/dbraw/zinc/44/60/69/654446069.db2.gz KDTNBDFXGMQOJE-LBPRGKRZSA-N 1 2 382.921 2.439 20 0 GEADLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)n1 ZINC000894094158 654446072 /nfs/dbraw/zinc/44/60/72/654446072.db2.gz KDTNBDFXGMQOJE-LBPRGKRZSA-N 1 2 382.921 2.439 20 0 GEADLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)n1 ZINC000894094158 654446076 /nfs/dbraw/zinc/44/60/76/654446076.db2.gz KDTNBDFXGMQOJE-LBPRGKRZSA-N 1 2 382.921 2.439 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC3CC(CCO)C3)[nH+]c12 ZINC000894164644 654451833 /nfs/dbraw/zinc/45/18/33/654451833.db2.gz CLJFXFAWDKMHNU-UHFFFAOYSA-N 1 2 395.301 2.408 20 0 GEADLO Cn1nc(Br)nc1C[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000894175060 654452858 /nfs/dbraw/zinc/45/28/58/654452858.db2.gz CUUBFSOXCWBEHR-UHFFFAOYSA-N 1 2 380.168 2.204 20 0 GEADLO COC(=O)c1cnc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000894197399 654454800 /nfs/dbraw/zinc/45/48/00/654454800.db2.gz SUGIKDABROWKQW-LLVKDONJSA-N 1 2 383.495 2.031 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)c1nscc1I ZINC000906740549 654466895 /nfs/dbraw/zinc/46/68/95/654466895.db2.gz XVJRBTHCHIJXMB-UHFFFAOYSA-N 1 2 388.234 2.375 20 0 GEADLO Cn1nc(Br)nc1C[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000894363678 654469903 /nfs/dbraw/zinc/46/99/03/654469903.db2.gz GSKVTNMPPIVAHR-LLVKDONJSA-N 1 2 382.237 2.002 20 0 GEADLO Cn1cc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c(I)n1 ZINC000894374226 654470869 /nfs/dbraw/zinc/47/08/69/654470869.db2.gz FFFUFEMABNQKIB-RYUDHWBXSA-N 1 2 377.270 2.254 20 0 GEADLO Cn1cc(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c(I)n1 ZINC000894374226 654470872 /nfs/dbraw/zinc/47/08/72/654470872.db2.gz FFFUFEMABNQKIB-RYUDHWBXSA-N 1 2 377.270 2.254 20 0 GEADLO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1cn(C)nc1I ZINC000894382874 654471673 /nfs/dbraw/zinc/47/16/73/654471673.db2.gz BEOWEPHQPRFRFT-UHFFFAOYSA-N 1 2 398.248 2.370 20 0 GEADLO Cc1nc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)sc1Br ZINC000894417303 654473952 /nfs/dbraw/zinc/47/39/52/654473952.db2.gz LGWFKOLFVGPONU-OTYXRUKQSA-N 1 2 387.303 2.167 20 0 GEADLO Cc1nc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)sc1Br ZINC000894417303 654473958 /nfs/dbraw/zinc/47/39/58/654473958.db2.gz LGWFKOLFVGPONU-OTYXRUKQSA-N 1 2 387.303 2.167 20 0 GEADLO Cn1cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(I)n1 ZINC000894496740 654480760 /nfs/dbraw/zinc/48/07/60/654480760.db2.gz VXWDMPICOYPLHT-ZDUSSCGKSA-N 1 2 375.254 2.416 20 0 GEADLO Cn1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c(I)n1 ZINC000894496740 654480765 /nfs/dbraw/zinc/48/07/65/654480765.db2.gz VXWDMPICOYPLHT-ZDUSSCGKSA-N 1 2 375.254 2.416 20 0 GEADLO Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3nc(Br)nn3C)C2=O)c(C)c1 ZINC000894540757 654484455 /nfs/dbraw/zinc/48/44/55/654484455.db2.gz NALGZWJWHQVVHC-CYBMUJFWSA-N 1 2 392.301 2.398 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NCc2ccc(Br)cn2)n1 ZINC000923920052 654488073 /nfs/dbraw/zinc/48/80/73/654488073.db2.gz HMBGILCDBVEQPW-UHFFFAOYSA-N 1 2 384.303 2.362 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000924129456 654501758 /nfs/dbraw/zinc/50/17/58/654501758.db2.gz FRNVJJJFJMLRDH-SMDDNHRTSA-N 1 2 397.269 2.139 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000894904374 654504661 /nfs/dbraw/zinc/50/46/61/654504661.db2.gz HJZXWVDYZZQKPO-QWHCGFSZSA-N 1 2 384.489 2.434 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000894904374 654504664 /nfs/dbraw/zinc/50/46/64/654504664.db2.gz HJZXWVDYZZQKPO-QWHCGFSZSA-N 1 2 384.489 2.434 20 0 GEADLO CC(C)(CO)[NH+]1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 ZINC000907142843 654514286 /nfs/dbraw/zinc/51/42/86/654514286.db2.gz AWFIQSYXWUHBLG-UHFFFAOYSA-N 1 2 382.917 2.175 20 0 GEADLO CN1CC[N@H+](C)CC(C(=O)Nc2cc(Cl)cc(Br)c2O)C1 ZINC000907144727 654514622 /nfs/dbraw/zinc/51/46/22/654514622.db2.gz AUDWFBLSQRCTRL-UHFFFAOYSA-N 1 2 376.682 2.240 20 0 GEADLO CN1CC[N@@H+](C)CC(C(=O)Nc2cc(Cl)cc(Br)c2O)C1 ZINC000907144727 654514624 /nfs/dbraw/zinc/51/46/24/654514624.db2.gz AUDWFBLSQRCTRL-UHFFFAOYSA-N 1 2 376.682 2.240 20 0 GEADLO Cn1c[nH+]cc1CNS(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1 ZINC000907200184 654519763 /nfs/dbraw/zinc/51/97/63/654519763.db2.gz UWSYLXLCCHOVDN-HNNXBMFYSA-N 1 2 384.299 2.160 20 0 GEADLO Cc1cc(Br)cn2cc(CCN3C(=O)[C@H]4CSCN4C3=O)[nH+]c12 ZINC000924758478 654523778 /nfs/dbraw/zinc/52/37/78/654523778.db2.gz XWNMXRZCRWNYEB-GFCCVEGCSA-N 1 2 395.282 2.285 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)n1 ZINC000924776264 654524168 /nfs/dbraw/zinc/52/41/68/654524168.db2.gz CTOLCOCLSMJFOX-ZDUSSCGKSA-N 1 2 380.436 2.050 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)n1 ZINC000924780419 654524571 /nfs/dbraw/zinc/52/45/71/654524571.db2.gz JOBZKNVIIVFOBP-NSHDSACASA-N 1 2 380.436 2.456 20 0 GEADLO Cc1csc([C@H]2CN(C(=O)NCc3nc(C[NH+](C)C)cs3)CCO2)n1 ZINC000924782346 654524613 /nfs/dbraw/zinc/52/46/13/654524613.db2.gz MMDABHXEWHACDX-CYBMUJFWSA-N 1 2 381.527 2.253 20 0 GEADLO COc1cc(Br)cc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000926284039 654565929 /nfs/dbraw/zinc/56/59/29/654565929.db2.gz FIWSATPGPRFISU-HNNXBMFYSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@@H]([NH2+]Cc1nn(C)cc1I)C1(Br)CC1 ZINC000926540759 654574493 /nfs/dbraw/zinc/57/44/93/654574493.db2.gz LTUXZUJPHWXFPC-SSDOTTSWSA-N 1 2 384.059 2.430 20 0 GEADLO CN1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@H+](C)CC1 ZINC000907789369 654579352 /nfs/dbraw/zinc/57/93/52/654579352.db2.gz NUBWFTWOANTKJY-UHFFFAOYSA-N 1 2 399.866 2.227 20 0 GEADLO CN1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@@H+](C)CC1 ZINC000907789369 654579355 /nfs/dbraw/zinc/57/93/55/654579355.db2.gz NUBWFTWOANTKJY-UHFFFAOYSA-N 1 2 399.866 2.227 20 0 GEADLO COc1cccc([C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c2ccccc2Cl)c1 ZINC000927035607 654590636 /nfs/dbraw/zinc/59/06/36/654590636.db2.gz ZWTODZMNYRKSCE-KDOFPFPSSA-N 1 2 383.897 2.433 20 0 GEADLO O=C(NCC1(n2cc(Br)cn2)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000927100997 654591799 /nfs/dbraw/zinc/59/17/99/654591799.db2.gz CGJLDJBWKMIONV-UHFFFAOYSA-N 1 2 393.289 2.378 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000927108157 654592976 /nfs/dbraw/zinc/59/29/76/654592976.db2.gz OGURXUNXYOOLBG-LBPRGKRZSA-N 1 2 393.289 2.067 20 0 GEADLO COC(=O)CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000907994623 654594899 /nfs/dbraw/zinc/59/48/99/654594899.db2.gz WNBFGUUPLBIDJR-UHFFFAOYSA-N 1 2 380.242 2.238 20 0 GEADLO C/C(=C/C(=O)N1CCOc2ccc(Br)cc2C1)C[NH+]1CCOCC1 ZINC000908059218 654600989 /nfs/dbraw/zinc/60/09/89/654600989.db2.gz ILKCWLHRCLHQLM-UVTDQMKNSA-N 1 2 395.297 2.449 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)n1 ZINC000927769021 654612941 /nfs/dbraw/zinc/61/29/41/654612941.db2.gz DNXOCUGWHNQKJK-CYBMUJFWSA-N 1 2 384.571 2.159 20 0 GEADLO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927769583 654613396 /nfs/dbraw/zinc/61/33/96/654613396.db2.gz KHOXIZQENADOMW-TZWLIRKLSA-N 1 2 382.555 2.079 20 0 GEADLO Cc1nc(-c2ncccn2)sc1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928097311 654630682 /nfs/dbraw/zinc/63/06/82/654630682.db2.gz ZRHJJCZHGMNJEW-QWHCGFSZSA-N 1 2 375.523 2.218 20 0 GEADLO Cc1nc(-c2ncccn2)sc1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928097311 654630683 /nfs/dbraw/zinc/63/06/83/654630683.db2.gz ZRHJJCZHGMNJEW-QWHCGFSZSA-N 1 2 375.523 2.218 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000928643549 654653721 /nfs/dbraw/zinc/65/37/21/654653721.db2.gz DXMAONIHWKBUPE-LBPRGKRZSA-N 1 2 381.274 2.166 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)NCCCn1cc[nH+]c1 ZINC000929155353 654673177 /nfs/dbraw/zinc/67/31/77/654673177.db2.gz AFUUENRQVLZQBV-CYBMUJFWSA-N 1 2 377.242 2.278 20 0 GEADLO O=C(Nc1ccc(Br)cc1F)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000929183538 654674943 /nfs/dbraw/zinc/67/49/43/654674943.db2.gz BFNYUIGTNRWFBY-DOMZBBRYSA-N 1 2 387.249 2.407 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1 ZINC000929469575 654685145 /nfs/dbraw/zinc/68/51/45/654685145.db2.gz OXXLYTUYRXVMBK-MRXNPFEDSA-N 1 2 395.297 2.155 20 0 GEADLO C/C(=C/C(=O)N(C)C[C@@H](O)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000910424987 654699639 /nfs/dbraw/zinc/69/96/39/654699639.db2.gz SYMYMCIWHLLRKW-OOXMNIKJSA-N 1 2 397.313 2.219 20 0 GEADLO Cn1cc(Br)c(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000910777676 654710782 /nfs/dbraw/zinc/71/07/82/654710782.db2.gz MHNKOVLRVHFKSS-UHFFFAOYSA-N 1 2 375.270 2.283 20 0 GEADLO Cn1cc(Br)c(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)n1 ZINC000910777676 654710786 /nfs/dbraw/zinc/71/07/86/654710786.db2.gz MHNKOVLRVHFKSS-UHFFFAOYSA-N 1 2 375.270 2.283 20 0 GEADLO COc1ccc(C[N@@H+]2CCCC[C@@H]2CS(N)(=O)=O)c(Br)c1 ZINC000931233163 654735375 /nfs/dbraw/zinc/73/53/75/654735375.db2.gz XQLPZUMSYLBWAO-GFCCVEGCSA-N 1 2 377.304 2.101 20 0 GEADLO COc1ccc(C[N@H+]2CCCC[C@@H]2CS(N)(=O)=O)c(Br)c1 ZINC000931233163 654735378 /nfs/dbraw/zinc/73/53/78/654735378.db2.gz XQLPZUMSYLBWAO-GFCCVEGCSA-N 1 2 377.304 2.101 20 0 GEADLO Cc1c(Cl)c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)sc1S(N)(=O)=O ZINC000912033638 654740434 /nfs/dbraw/zinc/74/04/34/654740434.db2.gz PZKURFXNSORTNR-SNVBAGLBSA-N 1 2 393.962 2.160 20 0 GEADLO Cc1c(Cl)c(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)sc1S(N)(=O)=O ZINC000912033638 654740437 /nfs/dbraw/zinc/74/04/37/654740437.db2.gz PZKURFXNSORTNR-SNVBAGLBSA-N 1 2 393.962 2.160 20 0 GEADLO COC1(OC)CC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@H]1O ZINC000931640375 654750287 /nfs/dbraw/zinc/75/02/87/654750287.db2.gz OPHWNQWXNMJZKU-FATZIPQQSA-N 1 2 382.309 2.157 20 0 GEADLO COC1(OC)CC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@H]1O ZINC000931640375 654750290 /nfs/dbraw/zinc/75/02/90/654750290.db2.gz OPHWNQWXNMJZKU-FATZIPQQSA-N 1 2 382.309 2.157 20 0 GEADLO COC1(OC)CCOC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCCO2 ZINC000931667216 654752247 /nfs/dbraw/zinc/75/22/47/654752247.db2.gz KFIGMDDQLIGQCA-OAHLLOKOSA-N 1 2 388.258 2.088 20 0 GEADLO C[C@@H]1c2sccc2CCN1C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931668183 654752268 /nfs/dbraw/zinc/75/22/68/654752268.db2.gz NUZCTHVHAVLUOW-LLVKDONJSA-N 1 2 378.523 2.028 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)c2nccnc2c1)[C@H](C)[NH+]1CCOCC1 ZINC000932053769 654764837 /nfs/dbraw/zinc/76/48/37/654764837.db2.gz DWPKOLZZDJGOCL-NEPJUHHUSA-N 1 2 393.285 2.231 20 0 GEADLO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)co1 ZINC000932209747 654770463 /nfs/dbraw/zinc/77/04/63/654770463.db2.gz FHYVKKCJFFUOAR-GFCCVEGCSA-N 1 2 387.255 2.303 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(C(F)F)c(F)c2)CC1 ZINC000932456552 654778176 /nfs/dbraw/zinc/77/81/76/654778176.db2.gz VAVLJVRHMUHAPQ-UHFFFAOYSA-N 1 2 378.416 2.002 20 0 GEADLO CSCC1CC[NH+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CC1 ZINC000932589073 654782834 /nfs/dbraw/zinc/78/28/34/654782834.db2.gz DXRZDSSJIYTCHR-UHFFFAOYSA-N 1 2 380.905 2.329 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@H+](CC(=O)N(C)Cc3cccs3)C2)s1 ZINC000932658067 654784695 /nfs/dbraw/zinc/78/46/95/654784695.db2.gz HWGQSDQRQFKELP-LBPRGKRZSA-N 1 2 379.507 2.439 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@@H+](CC(=O)N(C)Cc3cccs3)C2)s1 ZINC000932658067 654784703 /nfs/dbraw/zinc/78/47/03/654784703.db2.gz HWGQSDQRQFKELP-LBPRGKRZSA-N 1 2 379.507 2.439 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3cn(C)nc3Br)C2)s1 ZINC000932670582 654784928 /nfs/dbraw/zinc/78/49/28/654784928.db2.gz HDBNZCVJSZRMNG-SECBINFHSA-N 1 2 385.287 2.415 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3cn(C)nc3Br)C2)s1 ZINC000932670582 654784929 /nfs/dbraw/zinc/78/49/29/654784929.db2.gz HDBNZCVJSZRMNG-SECBINFHSA-N 1 2 385.287 2.415 20 0 GEADLO CS(=O)(=O)N1CC(C[N@@H+]2CCc3c(Cl)ccc(Br)c3C2)C1 ZINC000932753852 654788387 /nfs/dbraw/zinc/78/83/87/654788387.db2.gz JWSJEMFDXXZHNF-UHFFFAOYSA-N 1 2 393.734 2.352 20 0 GEADLO CS(=O)(=O)N1CC(C[N@H+]2CCc3c(Cl)ccc(Br)c3C2)C1 ZINC000932753852 654788389 /nfs/dbraw/zinc/78/83/89/654788389.db2.gz JWSJEMFDXXZHNF-UHFFFAOYSA-N 1 2 393.734 2.352 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCc3cc(Br)c(F)cc3C2)C1 ZINC000932789748 654790677 /nfs/dbraw/zinc/79/06/77/654790677.db2.gz GHCJGKPJUZXNOP-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCc3cc(Br)c(F)cc3C2)C1 ZINC000932789748 654790680 /nfs/dbraw/zinc/79/06/80/654790680.db2.gz GHCJGKPJUZXNOP-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO O=C(CSc1cccc(Br)c1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913449830 654792493 /nfs/dbraw/zinc/79/24/93/654792493.db2.gz QIPDMRGOZORTHQ-CQSZACIVSA-N 1 2 381.299 2.437 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N1CC(n2cc[nH+]c2)C1 ZINC000932827303 654792739 /nfs/dbraw/zinc/79/27/39/654792739.db2.gz UGOTZBYWYBEGTG-ZDUSSCGKSA-N 1 2 375.226 2.155 20 0 GEADLO C[C@H](C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1)c1cccc(Br)c1 ZINC000913460737 654793703 /nfs/dbraw/zinc/79/37/03/654793703.db2.gz QNOSMMOAPZZUFI-LRDDRELGSA-N 1 2 377.286 2.459 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)c1 ZINC000913459552 654793790 /nfs/dbraw/zinc/79/37/90/654793790.db2.gz FGHVCHJXQUAVNY-INIZCTEOSA-N 1 2 392.301 2.035 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)CSc3cccc(Br)c3)CC[NH2+]2)cn1 ZINC000913463323 654794049 /nfs/dbraw/zinc/79/40/49/654794049.db2.gz DMSMJHRFQFPGSU-HNNXBMFYSA-N 1 2 395.326 2.448 20 0 GEADLO COc1cccc([C@H]2CN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC[NH2+]2)c1 ZINC000913480658 654795138 /nfs/dbraw/zinc/79/51/38/654795138.db2.gz NFDJFSZSGSFQSB-CHWSQXEVSA-N 1 2 381.687 2.289 20 0 GEADLO COc1ncc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1Br ZINC000932963850 654798868 /nfs/dbraw/zinc/79/88/68/654798868.db2.gz QJLKTJZDKKBURX-GFCCVEGCSA-N 1 2 399.289 2.100 20 0 GEADLO O=S(=O)(Cc1cccc(F)c1Br)NCCCn1cc[nH+]c1 ZINC000913825246 654811119 /nfs/dbraw/zinc/81/11/19/654811119.db2.gz VEGFTMAPJQQWIK-UHFFFAOYSA-N 1 2 376.251 2.294 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)c1F ZINC000913926895 654816483 /nfs/dbraw/zinc/81/64/83/654816483.db2.gz PFUWRZDKANUNDU-SECBINFHSA-N 1 2 392.250 2.160 20 0 GEADLO COc1cc(Br)cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000933659699 654819404 /nfs/dbraw/zinc/81/94/04/654819404.db2.gz LKCPEXCCFYANSL-HNNXBMFYSA-N 1 2 383.286 2.395 20 0 GEADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c(Cl)c1 ZINC000933700033 654820618 /nfs/dbraw/zinc/82/06/18/654820618.db2.gz TXHYOVMYNXTVKZ-RDBSUJKOSA-N 1 2 387.933 2.140 20 0 GEADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c(Cl)c1 ZINC000933700033 654820620 /nfs/dbraw/zinc/82/06/20/654820620.db2.gz TXHYOVMYNXTVKZ-RDBSUJKOSA-N 1 2 387.933 2.140 20 0 GEADLO O=C1[C@@H]([N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000933721501 654821296 /nfs/dbraw/zinc/82/12/96/654821296.db2.gz FJOJCJJAXFRSAQ-RWSFTLGLSA-N 1 2 389.304 2.075 20 0 GEADLO O=C1[C@@H]([N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000933721501 654821298 /nfs/dbraw/zinc/82/12/98/654821298.db2.gz FJOJCJJAXFRSAQ-RWSFTLGLSA-N 1 2 389.304 2.075 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)CC3(F)CC3)CC2)cs1 ZINC000914092216 654826090 /nfs/dbraw/zinc/82/60/90/654826090.db2.gz CVDBHKRKRMERRD-UHFFFAOYSA-N 1 2 375.535 2.339 20 0 GEADLO O[C@@H](C[N@@H+]1CCc2cc(Cl)cc(Br)c2C1)C1(O)CCOCC1 ZINC000933941695 654831539 /nfs/dbraw/zinc/83/15/39/654831539.db2.gz LBTJLOZGVXWPCY-HNNXBMFYSA-N 1 2 390.705 2.363 20 0 GEADLO O[C@@H](C[N@H+]1CCc2cc(Cl)cc(Br)c2C1)C1(O)CCOCC1 ZINC000933941695 654831540 /nfs/dbraw/zinc/83/15/40/654831540.db2.gz LBTJLOZGVXWPCY-HNNXBMFYSA-N 1 2 390.705 2.363 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)NCC1(n2cc(Br)cn2)CC1 ZINC000914308653 654844190 /nfs/dbraw/zinc/84/41/90/654844190.db2.gz XFZZBSYGMNRKDQ-UHFFFAOYSA-N 1 2 381.278 2.111 20 0 GEADLO O=C(NCC1C[C@H]2CC[C@@H](C1)S2)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000914329369 654845666 /nfs/dbraw/zinc/84/56/66/654845666.db2.gz ZTLQRZWEGXNOAA-MMNRESRNSA-N 1 2 385.599 2.168 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934370031 654846798 /nfs/dbraw/zinc/84/67/98/654846798.db2.gz UOPJDMMYYWXEGS-UHFFFAOYSA-N 1 2 386.294 2.213 20 0 GEADLO C[C@@H]([NH2+][C@@H](CO)c1ccccc1I)C(=O)NC(C)(C)C ZINC000934830652 654863079 /nfs/dbraw/zinc/86/30/79/654863079.db2.gz UHZGYSSQHRBZJM-MFKMUULPSA-N 1 2 390.265 2.217 20 0 GEADLO C[C@H]([NH2+][C@@H](CO)c1ccccc1I)C(=O)NC(C)(C)C ZINC000934830649 654863218 /nfs/dbraw/zinc/86/32/18/654863218.db2.gz UHZGYSSQHRBZJM-GWCFXTLKSA-N 1 2 390.265 2.217 20 0 GEADLO C[NH+](C)CC1(NS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)CCC1 ZINC000915204641 654865247 /nfs/dbraw/zinc/86/52/47/654865247.db2.gz FZNGGJMQQYBNPK-DEOSSOPVSA-N 1 2 399.460 2.352 20 0 GEADLO O=S(=O)(c1cscc1C(F)F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000915287785 654867751 /nfs/dbraw/zinc/86/77/51/654867751.db2.gz DSEKENGNCIZBGL-GFCCVEGCSA-N 1 2 380.482 2.419 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N[C@H]1CCn2cc[nH+]c2C1 ZINC000935487955 654896469 /nfs/dbraw/zinc/89/64/69/654896469.db2.gz KQTOAXNAMOPRFR-CMPLNLGQSA-N 1 2 389.253 2.203 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1nc(Br)c2ccccn21 ZINC000935935223 654928593 /nfs/dbraw/zinc/92/85/93/654928593.db2.gz UCSZZAVEZNXEOP-QWHCGFSZSA-N 1 2 393.285 2.032 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4ccc(F)cc4n3)CC2)C1=O ZINC001164644056 719281654 /nfs/dbraw/zinc/28/16/54/719281654.db2.gz ARPMZWBXFNRBTE-UHFFFAOYSA-N 1 2 386.471 2.133 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4ccc(F)cc4n3)CC2)C1=O ZINC001164644056 719281659 /nfs/dbraw/zinc/28/16/59/719281659.db2.gz ARPMZWBXFNRBTE-UHFFFAOYSA-N 1 2 386.471 2.133 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cccc(OC)c2n1 ZINC001164705794 719846262 /nfs/dbraw/zinc/84/62/62/719846262.db2.gz VRVTUADFWASZCO-VGOFRKELSA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C2CC2)n1 ZINC001164703713 719856014 /nfs/dbraw/zinc/85/60/14/719856014.db2.gz QJQVORYJWGINFE-LIRRHRJNSA-N 1 2 394.903 2.240 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(OC(C)(C)C)n1 ZINC001164700501 719858309 /nfs/dbraw/zinc/85/83/09/719858309.db2.gz HPNQFQLGSCKQQM-IERDGZPVSA-N 1 2 391.512 2.492 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2cc(F)ccc2n1 ZINC001164702575 719862990 /nfs/dbraw/zinc/86/29/90/719862990.db2.gz NZETTZXYXXPLRJ-OXJNMPFZSA-N 1 2 388.443 2.002 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2scc(C)c2n1 ZINC001164706245 719864891 /nfs/dbraw/zinc/86/48/91/719864891.db2.gz PHROCSLMPBZXMP-AUUYWEPGSA-N 1 2 390.509 2.232 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(C)(C)C)nn1 ZINC001164708174 719869190 /nfs/dbraw/zinc/86/91/90/719869190.db2.gz XXWQLGSILDQYOG-FOIQADDNSA-N 1 2 376.501 2.007 20 0 GEADLO CCCSc1cncc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164708154 719871912 /nfs/dbraw/zinc/87/19/12/719871912.db2.gz XRSBCXKYOMFOAE-BEFAXECRSA-N 1 2 394.541 2.211 20 0 GEADLO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1S(C)(=O)=O)[C@@H]2C ZINC001164860509 720946685 /nfs/dbraw/zinc/94/66/85/720946685.db2.gz QGSNQNQBFYTGMJ-CQSZACIVSA-N 1 2 377.514 2.103 20 0 GEADLO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncccc1S(C)(=O)=O)[C@@H]2C ZINC001164860509 720946702 /nfs/dbraw/zinc/94/67/02/720946702.db2.gz QGSNQNQBFYTGMJ-CQSZACIVSA-N 1 2 377.514 2.103 20 0 GEADLO COc1c(Cl)nc(C)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010881 721703733 /nfs/dbraw/zinc/70/37/33/721703733.db2.gz OGSDRAVYXLWKBI-UHFFFAOYSA-N 1 2 379.896 2.289 20 0 GEADLO COc1c(Cl)nc(C)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010881 721703742 /nfs/dbraw/zinc/70/37/42/721703742.db2.gz OGSDRAVYXLWKBI-UHFFFAOYSA-N 1 2 379.896 2.289 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(C(=O)NC(C)(C)C)ccn1)C2 ZINC001165008149 721710516 /nfs/dbraw/zinc/71/05/16/721710516.db2.gz BMVHHIDAAZVLKD-UHFFFAOYSA-N 1 2 399.543 2.452 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(C(=O)NC(C)(C)C)ccn1)C2 ZINC001165008149 721710517 /nfs/dbraw/zinc/71/05/17/721710517.db2.gz BMVHHIDAAZVLKD-UHFFFAOYSA-N 1 2 399.543 2.452 20 0 GEADLO COC(=O)c1cnc(Cl)cc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164915392 721812199 /nfs/dbraw/zinc/81/21/99/721812199.db2.gz AFQVXWUZGOAUJW-UHFFFAOYSA-N 1 2 389.887 2.468 20 0 GEADLO CCOc1nc(Cl)cc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164916412 721814581 /nfs/dbraw/zinc/81/45/81/721814581.db2.gz DFISMOLIBULQKS-UHFFFAOYSA-N 1 2 376.892 2.475 20 0 GEADLO COc1cc(OC)nc(CN2CCN(c3cc(OC)c4ccccc4[nH+]3)CC2)n1 ZINC001165030430 721849335 /nfs/dbraw/zinc/84/93/35/721849335.db2.gz PXUJSSNEFSATBF-UHFFFAOYSA-N 1 2 395.463 2.373 20 0 GEADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@H]21 ZINC001164946755 721955906 /nfs/dbraw/zinc/95/59/06/721955906.db2.gz OTQFKKACQMTTGK-RTBURBONSA-N 1 2 398.511 2.161 20 0 GEADLO FC(F)(COc1ccc(Cl)nn1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055715 722017171 /nfs/dbraw/zinc/01/71/71/722017171.db2.gz SZROQEGWWWWTED-UHFFFAOYSA-N 1 2 383.830 2.357 20 0 GEADLO FC(F)(COc1cncc(Cl)n1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055262 722017515 /nfs/dbraw/zinc/01/75/15/722017515.db2.gz NZQMEJWRXFWLLY-UHFFFAOYSA-N 1 2 383.830 2.357 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(F)ccc1Br ZINC000521789940 531252540 /nfs/dbraw/zinc/25/25/40/531252540.db2.gz OXUIMUYTMOJIMZ-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO O=S(=O)(NCCNc1cc(NCC2CC2)[nH+]cn1)c1cccc(Cl)c1 ZINC000535336383 531445160 /nfs/dbraw/zinc/44/51/60/531445160.db2.gz VXXWFEMCCCRWGD-UHFFFAOYSA-N 1 2 381.889 2.342 20 0 GEADLO O=S(=O)(NCCNc1cc(NCC2CC2)nc[nH+]1)c1cccc(Cl)c1 ZINC000535336383 531445167 /nfs/dbraw/zinc/44/51/67/531445167.db2.gz VXXWFEMCCCRWGD-UHFFFAOYSA-N 1 2 381.889 2.342 20 0 GEADLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000151552093 531510656 /nfs/dbraw/zinc/51/06/56/531510656.db2.gz GSBZWOPFYHSKTL-MRXNPFEDSA-N 1 2 392.297 2.339 20 0 GEADLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000151552093 531510664 /nfs/dbraw/zinc/51/06/64/531510664.db2.gz GSBZWOPFYHSKTL-MRXNPFEDSA-N 1 2 392.297 2.339 20 0 GEADLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000151481333 531503799 /nfs/dbraw/zinc/50/37/99/531503799.db2.gz QJCAJNZULIWPPH-HOTGVXAUSA-N 1 2 384.318 2.389 20 0 GEADLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000151481333 531503805 /nfs/dbraw/zinc/50/38/05/531503805.db2.gz QJCAJNZULIWPPH-HOTGVXAUSA-N 1 2 384.318 2.389 20 0 GEADLO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000151532591 531508181 /nfs/dbraw/zinc/50/81/81/531508181.db2.gz JCDHNJFLSMCATR-CYBMUJFWSA-N 1 2 393.336 2.477 20 0 GEADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(I)c[nH]1 ZINC000152402238 531547721 /nfs/dbraw/zinc/54/77/21/531547721.db2.gz ZUTFKYHQAKLKKE-NSHDSACASA-N 1 2 382.205 2.023 20 0 GEADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000152494060 531554468 /nfs/dbraw/zinc/55/44/68/531554468.db2.gz YAJMOKFVEDRCFK-SKDZVZGDSA-N 1 2 397.313 2.194 20 0 GEADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000152494060 531554474 /nfs/dbraw/zinc/55/44/74/531554474.db2.gz YAJMOKFVEDRCFK-SKDZVZGDSA-N 1 2 397.313 2.194 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000153011510 531582724 /nfs/dbraw/zinc/58/27/24/531582724.db2.gz CLPPGHVDDRRVJP-HUUCEWRRSA-N 1 2 382.346 2.380 20 0 GEADLO O=C(C[C@@H]1CSCCS1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000153034696 531583893 /nfs/dbraw/zinc/58/38/93/531583893.db2.gz RINCSOSDMPAWCD-MRXNPFEDSA-N 1 2 376.551 2.217 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000026128833 531617675 /nfs/dbraw/zinc/61/76/75/531617675.db2.gz GAADJFRLCVMGKQ-UHFFFAOYSA-N 1 2 390.267 2.162 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000026128833 531617683 /nfs/dbraw/zinc/61/76/83/531617683.db2.gz GAADJFRLCVMGKQ-UHFFFAOYSA-N 1 2 390.267 2.162 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(Br)c[nH]1 ZINC000027674178 531627585 /nfs/dbraw/zinc/62/75/85/531627585.db2.gz MTQRCTXXUBEBFU-HNNXBMFYSA-N 1 2 378.270 2.408 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(Br)c[nH]1 ZINC000027674178 531627594 /nfs/dbraw/zinc/62/75/94/531627594.db2.gz MTQRCTXXUBEBFU-HNNXBMFYSA-N 1 2 378.270 2.408 20 0 GEADLO O=S(=O)(NCc1ccc[nH+]c1N1CCOCC1)c1ccc(Cl)cc1F ZINC000028042174 531629252 /nfs/dbraw/zinc/62/92/52/531629252.db2.gz GVELIWAZENBXIX-UHFFFAOYSA-N 1 2 385.848 2.189 20 0 GEADLO O=C(NCCSc1ccccc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031167235 531643030 /nfs/dbraw/zinc/64/30/30/531643030.db2.gz FBAXCESGSCZXBS-GOSISDBHSA-N 1 2 381.567 2.286 20 0 GEADLO C[C@H]1CN(c2ccc(CNC(=O)c3cccc(Br)n3)c[nH+]2)CCO1 ZINC000154947578 531643513 /nfs/dbraw/zinc/64/35/13/531643513.db2.gz HYJLHAXTCKHWSR-LBPRGKRZSA-N 1 2 391.269 2.394 20 0 GEADLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000030972081 531641830 /nfs/dbraw/zinc/64/18/30/531641830.db2.gz AVDXBITUBHDJLM-GASCZTMLSA-N 1 2 395.345 2.471 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1Br ZINC000031941884 531648166 /nfs/dbraw/zinc/64/81/66/531648166.db2.gz CBSGDXWHWBERBX-MRXNPFEDSA-N 1 2 385.327 2.387 20 0 GEADLO O=C(CSCc1ccc(F)cc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031943085 531648315 /nfs/dbraw/zinc/64/83/15/531648315.db2.gz LDKFHRYQQLDJLS-SFHVURJKSA-N 1 2 384.542 2.383 20 0 GEADLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000042503038 531670678 /nfs/dbraw/zinc/67/06/78/531670678.db2.gz LEUJXFAUTZUXND-ZDUSSCGKSA-N 1 2 384.318 2.252 20 0 GEADLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000042503038 531670686 /nfs/dbraw/zinc/67/06/86/531670686.db2.gz LEUJXFAUTZUXND-ZDUSSCGKSA-N 1 2 384.318 2.252 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000155120887 531657926 /nfs/dbraw/zinc/65/79/26/531657926.db2.gz KXKIBTRZJAVBMX-OAHLLOKOSA-N 1 2 380.539 2.499 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000155120887 531657936 /nfs/dbraw/zinc/65/79/36/531657936.db2.gz KXKIBTRZJAVBMX-OAHLLOKOSA-N 1 2 380.539 2.499 20 0 GEADLO CC[C@@H](C)NC(=O)CN1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000044742067 531685646 /nfs/dbraw/zinc/68/56/46/531685646.db2.gz ROJAUGLQXFDKSY-OAHLLOKOSA-N 1 2 398.345 2.360 20 0 GEADLO CC(C)C(=O)Nc1nc(CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cs1 ZINC000044904642 531688707 /nfs/dbraw/zinc/68/87/07/531688707.db2.gz ABCSVRKNALACLY-UHFFFAOYSA-N 1 2 379.511 2.363 20 0 GEADLO CC(C)C(=O)Nc1nc(CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cs1 ZINC000044904642 531688711 /nfs/dbraw/zinc/68/87/11/531688711.db2.gz ABCSVRKNALACLY-UHFFFAOYSA-N 1 2 379.511 2.363 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1I ZINC000045953118 531696075 /nfs/dbraw/zinc/69/60/75/531696075.db2.gz CEHRKWUKPIJRJM-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)NCCc2ccc(Cl)s2)CC1 ZINC000047143658 531710609 /nfs/dbraw/zinc/71/06/09/531710609.db2.gz SHWOKOYZQBPPFP-UHFFFAOYSA-N 1 2 386.949 2.186 20 0 GEADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)NCCc2ccc(Cl)s2)CC1 ZINC000047143658 531710616 /nfs/dbraw/zinc/71/06/16/531710616.db2.gz SHWOKOYZQBPPFP-UHFFFAOYSA-N 1 2 386.949 2.186 20 0 GEADLO CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000046253921 531701286 /nfs/dbraw/zinc/70/12/86/531701286.db2.gz QJLVTZQPPQRCIK-HOTGVXAUSA-N 1 2 387.571 2.350 20 0 GEADLO C[C@H]1CN(c2ccc(CNC(=O)c3cncc(Br)c3)c[nH+]2)CCO1 ZINC000046716041 531707162 /nfs/dbraw/zinc/70/71/62/531707162.db2.gz IKRZJCZCOHNEPV-LBPRGKRZSA-N 1 2 391.269 2.394 20 0 GEADLO NC(=O)CC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000048025101 531726526 /nfs/dbraw/zinc/72/65/26/531726526.db2.gz OUJDMMRJNYACRW-UHFFFAOYSA-N 1 2 375.803 2.467 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)[C@H]1C[N@H+](C)CCO1 ZINC000156291804 531726872 /nfs/dbraw/zinc/72/68/72/531726872.db2.gz QTRAVFWWGVTBQM-TVQRCGJNSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000156291804 531726879 /nfs/dbraw/zinc/72/68/79/531726879.db2.gz QTRAVFWWGVTBQM-TVQRCGJNSA-N 1 2 397.722 2.100 20 0 GEADLO O=S(=O)(c1sccc1Br)N1CCN(c2cccc[nH+]2)CC1 ZINC000048443454 531731465 /nfs/dbraw/zinc/73/14/65/531731465.db2.gz QXOJNNSOIGYQRP-UHFFFAOYSA-N 1 2 388.312 2.417 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1)C(=O)N(C)C ZINC000051423972 531742526 /nfs/dbraw/zinc/74/25/26/531742526.db2.gz DNLSMWVIOZDJMD-GFCCVEGCSA-N 1 2 382.302 2.006 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1)C(=O)N(C)C ZINC000051423972 531742532 /nfs/dbraw/zinc/74/25/32/531742532.db2.gz DNLSMWVIOZDJMD-GFCCVEGCSA-N 1 2 382.302 2.006 20 0 GEADLO Cc1csc2nc(C[NH+]3CCN(c4nc(C)c(C)s4)CC3)cc(=O)n12 ZINC000157531910 531745227 /nfs/dbraw/zinc/74/52/27/531745227.db2.gz SVXYYGUBROOZFU-UHFFFAOYSA-N 1 2 375.523 2.460 20 0 GEADLO C[N@H+](CCc1nccs1)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000157551850 531746135 /nfs/dbraw/zinc/74/61/35/531746135.db2.gz DYCJZEBULSHVQC-UHFFFAOYSA-N 1 2 378.523 2.295 20 0 GEADLO C[N@@H+](CCc1nccs1)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000157551850 531746139 /nfs/dbraw/zinc/74/61/39/531746139.db2.gz DYCJZEBULSHVQC-UHFFFAOYSA-N 1 2 378.523 2.295 20 0 GEADLO COc1cccc([C@@H](CNC(=O)c2cc(S(C)(=O)=O)cs2)[NH+](C)C)c1 ZINC000157552547 531746443 /nfs/dbraw/zinc/74/64/43/531746443.db2.gz UIFUEELRJOVCGR-OAHLLOKOSA-N 1 2 382.507 2.193 20 0 GEADLO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000054993469 531781364 /nfs/dbraw/zinc/78/13/64/531781364.db2.gz GPJCDHBCWJZYJS-UHFFFAOYSA-N 1 2 379.448 2.410 20 0 GEADLO CC(C)(C)NC(=O)NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158192976 531769296 /nfs/dbraw/zinc/76/92/96/531769296.db2.gz DPDZDYZJYOFZBO-UHFFFAOYSA-N 1 2 376.284 2.412 20 0 GEADLO CC(C)(C)NC(=O)NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158192976 531769301 /nfs/dbraw/zinc/76/93/01/531769301.db2.gz DPDZDYZJYOFZBO-UHFFFAOYSA-N 1 2 376.284 2.412 20 0 GEADLO O=C(NCCCO[C@@H]1CCOC1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000158340148 531775593 /nfs/dbraw/zinc/77/55/93/531775593.db2.gz MBWGLNWKTVRWFK-CQSZACIVSA-N 1 2 397.273 2.092 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CC[C@]2(CCOC2)C1 ZINC000158341195 531776367 /nfs/dbraw/zinc/77/63/67/531776367.db2.gz RSMUSHMGAHBVSW-INIZCTEOSA-N 1 2 379.258 2.419 20 0 GEADLO Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)COCc3cccs3)CC2)s1 ZINC000055170445 531783788 /nfs/dbraw/zinc/78/37/88/531783788.db2.gz GCEXJTXFMHHINL-OAHLLOKOSA-N 1 2 380.535 2.454 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000055290563 531787723 /nfs/dbraw/zinc/78/77/23/531787723.db2.gz WATPRZADOBZQRX-BETUJISGSA-N 1 2 380.432 2.483 20 0 GEADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000055290563 531787727 /nfs/dbraw/zinc/78/77/27/531787727.db2.gz WATPRZADOBZQRX-BETUJISGSA-N 1 2 380.432 2.483 20 0 GEADLO C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)c[nH+]2)CCO1 ZINC000056064897 531802936 /nfs/dbraw/zinc/80/29/36/531802936.db2.gz PXSQWUKSQIGQJU-ZDUSSCGKSA-N 1 2 381.885 2.439 20 0 GEADLO C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)c[nH+]2)CCO1 ZINC000056064850 531803409 /nfs/dbraw/zinc/80/34/09/531803409.db2.gz XHJWLORHNAOLBK-ZDUSSCGKSA-N 1 2 381.885 2.439 20 0 GEADLO Cc1cc(S(=O)(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c(C)s1 ZINC000056064793 531804290 /nfs/dbraw/zinc/80/42/90/531804290.db2.gz KCARETPSDONOOW-GFCCVEGCSA-N 1 2 381.523 2.464 20 0 GEADLO CN(C1CC[NH+](Cc2nnc(-c3ccccc3Cl)o2)CC1)S(C)(=O)=O ZINC000058923061 531839472 /nfs/dbraw/zinc/83/94/72/531839472.db2.gz BOGAPIXIMZCCBD-UHFFFAOYSA-N 1 2 384.889 2.246 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCCNc1cccc[nH+]1 ZINC000063704216 531859539 /nfs/dbraw/zinc/85/95/39/531859539.db2.gz UYSWDSDXEHOWMS-SNVBAGLBSA-N 1 2 397.298 2.252 20 0 GEADLO Cc1ccc2c(c1Br)[C@@]1(NC(=[NH2+])Nc3nc4ccccc4n31)C(=O)N2 ZINC000164963526 531871027 /nfs/dbraw/zinc/87/10/27/531871027.db2.gz ASOQDFTUYXEUBR-KRWDZBQOSA-N 1 2 397.236 2.310 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CC[N@@H+]1CCOC ZINC000166044119 531874667 /nfs/dbraw/zinc/87/46/67/531874667.db2.gz PVAJORWRMAPFNX-LBPRGKRZSA-N 1 2 380.432 2.225 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CC[N@H+]1CCOC ZINC000166044119 531874675 /nfs/dbraw/zinc/87/46/75/531874675.db2.gz PVAJORWRMAPFNX-LBPRGKRZSA-N 1 2 380.432 2.225 20 0 GEADLO COc1ccc([C@@H](C)NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1Br ZINC000170920204 531894412 /nfs/dbraw/zinc/89/44/12/531894412.db2.gz JRFDQTVRJNTYBK-DGCLKSJQSA-N 1 2 386.290 2.149 20 0 GEADLO COc1ccc([C@@H](C)NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1Br ZINC000170920204 531894417 /nfs/dbraw/zinc/89/44/17/531894417.db2.gz JRFDQTVRJNTYBK-DGCLKSJQSA-N 1 2 386.290 2.149 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170650435 531885445 /nfs/dbraw/zinc/88/54/45/531885445.db2.gz WLUMOCRKESRNKO-CYBMUJFWSA-N 1 2 390.285 2.388 20 0 GEADLO C[C@@H](NC(=O)NCc1sccc1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000171669199 531910904 /nfs/dbraw/zinc/91/09/04/531910904.db2.gz FDFIPMNPOWCTBK-GHMZBOCLSA-N 1 2 376.320 2.419 20 0 GEADLO Cc1cc(N2C[C@@H](C(=O)NCCc3[nH]cc[nH+]3)CC2=O)ccc1Br ZINC000171755532 531914066 /nfs/dbraw/zinc/91/40/66/531914066.db2.gz PBQUTCPWXIVBDQ-LBPRGKRZSA-N 1 2 391.269 2.192 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2[nH]nc3ccc(Br)cc32)CCO1 ZINC000171771311 531917145 /nfs/dbraw/zinc/91/71/45/531917145.db2.gz XIGZTARLQMDVEL-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2[nH]nc3ccc(Br)cc32)CCO1 ZINC000171771311 531917153 /nfs/dbraw/zinc/91/71/53/531917153.db2.gz XIGZTARLQMDVEL-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000171834675 531918262 /nfs/dbraw/zinc/91/82/62/531918262.db2.gz KQWXIRUCYYYNEX-UHFFFAOYSA-N 1 2 396.460 2.184 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000171771370 531915307 /nfs/dbraw/zinc/91/53/07/531915307.db2.gz LLEPWTCENOLMSK-CYBMUJFWSA-N 1 2 395.301 2.412 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000171771370 531915311 /nfs/dbraw/zinc/91/53/11/531915311.db2.gz LLEPWTCENOLMSK-CYBMUJFWSA-N 1 2 395.301 2.412 20 0 GEADLO C[C@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC000172141394 531936306 /nfs/dbraw/zinc/93/63/06/531936306.db2.gz VIQJCPOVPHILPO-CYBMUJFWSA-N 1 2 387.571 2.007 20 0 GEADLO C[C@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)[N@H+]1CCc2sccc2C1 ZINC000172141394 531936312 /nfs/dbraw/zinc/93/63/12/531936312.db2.gz VIQJCPOVPHILPO-CYBMUJFWSA-N 1 2 387.571 2.007 20 0 GEADLO C[C@@H](CS(C)(=O)=O)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000172245398 531941309 /nfs/dbraw/zinc/94/13/09/531941309.db2.gz SPCAXGKYAJIFCI-BBRMVZONSA-N 1 2 387.933 2.209 20 0 GEADLO C[C@H](CS(C)(=O)=O)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000172245411 531941770 /nfs/dbraw/zinc/94/17/70/531941770.db2.gz SPCAXGKYAJIFCI-CZUORRHYSA-N 1 2 387.933 2.209 20 0 GEADLO O=C(CS(=O)(=O)C1CCCC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112186893 531945857 /nfs/dbraw/zinc/94/58/57/531945857.db2.gz JOHIPNLMWKCBAI-UHFFFAOYSA-N 1 2 388.599 2.212 20 0 GEADLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000172562044 531957346 /nfs/dbraw/zinc/95/73/46/531957346.db2.gz MTZAYCJHXTXCOE-MRXNPFEDSA-N 1 2 387.933 2.095 20 0 GEADLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000172562044 531957355 /nfs/dbraw/zinc/95/73/55/531957355.db2.gz MTZAYCJHXTXCOE-MRXNPFEDSA-N 1 2 387.933 2.095 20 0 GEADLO CC(C)C[C@H](CNS(=O)(=O)c1cc(F)c(F)c(F)c1)[NH+]1CCOCC1 ZINC000173002850 531979053 /nfs/dbraw/zinc/97/90/53/531979053.db2.gz OPJSURZKFNWAQL-GFCCVEGCSA-N 1 2 380.432 2.129 20 0 GEADLO COCC[N@H+](Cc1ccccc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000173205951 531996302 /nfs/dbraw/zinc/99/63/02/531996302.db2.gz AOZMSITXCATVBM-CQSZACIVSA-N 1 2 381.416 2.263 20 0 GEADLO COCC[N@@H+](Cc1ccccc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000173205951 531996308 /nfs/dbraw/zinc/99/63/08/531996308.db2.gz AOZMSITXCATVBM-CQSZACIVSA-N 1 2 381.416 2.263 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000173396289 532007064 /nfs/dbraw/zinc/00/70/64/532007064.db2.gz ZLQISMVLYFZEED-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000173396289 532007068 /nfs/dbraw/zinc/00/70/68/532007068.db2.gz ZLQISMVLYFZEED-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000173432400 532011213 /nfs/dbraw/zinc/01/12/13/532011213.db2.gz SGEYMAZBRRYXGG-UHFFFAOYSA-N 1 2 388.295 2.043 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000173432400 532011223 /nfs/dbraw/zinc/01/12/23/532011223.db2.gz SGEYMAZBRRYXGG-UHFFFAOYSA-N 1 2 388.295 2.043 20 0 GEADLO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000121079726 532011832 /nfs/dbraw/zinc/01/18/32/532011832.db2.gz AWTVOEQMSAJIEX-CYBMUJFWSA-N 1 2 380.853 2.432 20 0 GEADLO CCCCN(C(=O)C[NH2+][C@@](C)(CC)c1nccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000173496634 532014925 /nfs/dbraw/zinc/01/49/25/532014925.db2.gz SNGYQNPLVYBLQM-PBHICJAKSA-N 1 2 387.571 2.174 20 0 GEADLO Cc1c(C(=O)NCCc2c[nH+]cn2C)nnn1-c1cccc(Br)c1 ZINC000121289815 532021244 /nfs/dbraw/zinc/02/12/44/532021244.db2.gz OAEOAGSIAQCKIY-UHFFFAOYSA-N 1 2 389.257 2.044 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000121441183 532029080 /nfs/dbraw/zinc/02/90/80/532029080.db2.gz SPPQGOSMYQPSHB-HNNXBMFYSA-N 1 2 383.495 2.119 20 0 GEADLO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000121501842 532031912 /nfs/dbraw/zinc/03/19/12/532031912.db2.gz MWTLIXNEUNBMRL-HOCLYGCPSA-N 1 2 394.313 2.310 20 0 GEADLO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000121501842 532031917 /nfs/dbraw/zinc/03/19/17/532031917.db2.gz MWTLIXNEUNBMRL-HOCLYGCPSA-N 1 2 394.313 2.310 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000121588865 532035565 /nfs/dbraw/zinc/03/55/65/532035565.db2.gz VRJAKJDBCDIIPE-CJNGLKHVSA-N 1 2 383.286 2.463 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000121588865 532035571 /nfs/dbraw/zinc/03/55/71/532035571.db2.gz VRJAKJDBCDIIPE-CJNGLKHVSA-N 1 2 383.286 2.463 20 0 GEADLO C[C@@H](C(=O)NCCc1cc(Cl)ccc1Br)[NH+]1CCN(C)CC1 ZINC000121617207 532038340 /nfs/dbraw/zinc/03/83/40/532038340.db2.gz ZYJTXSHWOAZEAH-LBPRGKRZSA-N 1 2 388.737 2.397 20 0 GEADLO C[C@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000121677604 532042160 /nfs/dbraw/zinc/04/21/60/532042160.db2.gz TVTPCIFNCNPOEB-ZDUSSCGKSA-N 1 2 390.311 2.391 20 0 GEADLO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173895080 532039801 /nfs/dbraw/zinc/03/98/01/532039801.db2.gz XPOMODIGWXQLII-LBPRGKRZSA-N 1 2 394.324 2.264 20 0 GEADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(I)cc2Cl)C1 ZINC000173942981 532043437 /nfs/dbraw/zinc/04/34/37/532043437.db2.gz SCAYZCAJWCHUTJ-LLVKDONJSA-N 1 2 380.613 2.214 20 0 GEADLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(I)cc2Cl)C1 ZINC000173942981 532043445 /nfs/dbraw/zinc/04/34/45/532043445.db2.gz SCAYZCAJWCHUTJ-LLVKDONJSA-N 1 2 380.613 2.214 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000174365591 532062668 /nfs/dbraw/zinc/06/26/68/532062668.db2.gz DMGHGPVWVRIELV-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO C[C@H](CO[C@H]1CCOC1)NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000122189306 532061810 /nfs/dbraw/zinc/06/18/10/532061810.db2.gz HHNRQNJWYPMNEY-RISCZKNCSA-N 1 2 397.273 2.090 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000122481895 532071366 /nfs/dbraw/zinc/07/13/66/532071366.db2.gz PJGYNMJGRIPREY-UHFFFAOYSA-N 1 2 390.245 2.427 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000122688457 532080100 /nfs/dbraw/zinc/08/01/00/532080100.db2.gz YZUCXZHAOCTJRA-VXGBXAGGSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000122688457 532080105 /nfs/dbraw/zinc/08/01/05/532080105.db2.gz YZUCXZHAOCTJRA-VXGBXAGGSA-N 1 2 381.325 2.459 20 0 GEADLO NC(=O)NC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000174909823 532081833 /nfs/dbraw/zinc/08/18/33/532081833.db2.gz QNRJYXBXJUMPMQ-UHFFFAOYSA-N 1 2 378.782 2.430 20 0 GEADLO COCCCS(=O)(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000175135620 532090864 /nfs/dbraw/zinc/09/08/64/532090864.db2.gz XAWMUJGQQAYTNK-ZDUSSCGKSA-N 1 2 393.347 2.398 20 0 GEADLO COCCCS(=O)(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000175135620 532090866 /nfs/dbraw/zinc/09/08/66/532090866.db2.gz XAWMUJGQQAYTNK-ZDUSSCGKSA-N 1 2 393.347 2.398 20 0 GEADLO COCCCS(=O)(=O)NCC[N@H+](C)[C@H](C)c1ccccc1Br ZINC000175135640 532090593 /nfs/dbraw/zinc/09/05/93/532090593.db2.gz XAWMUJGQQAYTNK-CYBMUJFWSA-N 1 2 393.347 2.398 20 0 GEADLO COCCCS(=O)(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000175135640 532090598 /nfs/dbraw/zinc/09/05/98/532090598.db2.gz XAWMUJGQQAYTNK-CYBMUJFWSA-N 1 2 393.347 2.398 20 0 GEADLO COCCCS(=O)(=O)NCC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000175240450 532095251 /nfs/dbraw/zinc/09/52/51/532095251.db2.gz TYBYURQTTCETPA-INIZCTEOSA-N 1 2 392.974 2.386 20 0 GEADLO COCCCS(=O)(=O)NCC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000175240450 532095256 /nfs/dbraw/zinc/09/52/56/532095256.db2.gz TYBYURQTTCETPA-INIZCTEOSA-N 1 2 392.974 2.386 20 0 GEADLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000175500270 532105164 /nfs/dbraw/zinc/10/51/64/532105164.db2.gz SFXZASCTDYATDC-LBPRGKRZSA-N 1 2 379.511 2.001 20 0 GEADLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000175500270 532105171 /nfs/dbraw/zinc/10/51/71/532105171.db2.gz SFXZASCTDYATDC-LBPRGKRZSA-N 1 2 379.511 2.001 20 0 GEADLO NC(=O)NC1CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000175759662 532112783 /nfs/dbraw/zinc/11/27/83/532112783.db2.gz PJCJFELANOIXAY-UHFFFAOYSA-N 1 2 380.246 2.132 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000125615071 532139180 /nfs/dbraw/zinc/13/91/80/532139180.db2.gz QSOYEWVOVQDGRR-HNNXBMFYSA-N 1 2 395.301 2.403 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000125615071 532139183 /nfs/dbraw/zinc/13/91/83/532139183.db2.gz QSOYEWVOVQDGRR-HNNXBMFYSA-N 1 2 395.301 2.403 20 0 GEADLO O=C(Cc1cccc(Br)c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000125133315 532133240 /nfs/dbraw/zinc/13/32/40/532133240.db2.gz KFIGWIIASJUJJX-KRWDZBQOSA-N 1 2 399.354 2.316 20 0 GEADLO C[C@H](CNC(=O)CN(C)C(=O)c1ccc(Br)s1)Cn1cc[nH+]c1 ZINC000176389702 532135943 /nfs/dbraw/zinc/13/59/43/532135943.db2.gz DTTUWMKXIYONBY-LLVKDONJSA-N 1 2 399.314 2.232 20 0 GEADLO COc1cc(Br)c(S(=O)(=O)NCCn2cc[nH+]c2)cc1Cl ZINC000176818302 532150889 /nfs/dbraw/zinc/15/08/89/532150889.db2.gz OZCNRLCBHGRTMA-UHFFFAOYSA-N 1 2 394.678 2.286 20 0 GEADLO COc1cc(Br)c(C[NH+]2CCC(N3CCNC3=O)CC2)c(OC)c1 ZINC000127565672 532155095 /nfs/dbraw/zinc/15/50/95/532155095.db2.gz FDNNQQAPQPWQFP-UHFFFAOYSA-N 1 2 398.301 2.456 20 0 GEADLO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000176558114 532141114 /nfs/dbraw/zinc/14/11/14/532141114.db2.gz CLBFQBIDEILUMQ-BBRMVZONSA-N 1 2 389.323 2.324 20 0 GEADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000125913159 532144234 /nfs/dbraw/zinc/14/42/34/532144234.db2.gz MGYIZOKKPQJIKA-IJRMKIOGSA-N 1 2 376.404 2.219 20 0 GEADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000125913159 532144236 /nfs/dbraw/zinc/14/42/36/532144236.db2.gz MGYIZOKKPQJIKA-IJRMKIOGSA-N 1 2 376.404 2.219 20 0 GEADLO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000177214572 532164879 /nfs/dbraw/zinc/16/48/79/532164879.db2.gz ZBGQKWBCFHQOFX-KGLIPLIRSA-N 1 2 378.567 2.130 20 0 GEADLO C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000177214572 532164881 /nfs/dbraw/zinc/16/48/81/532164881.db2.gz ZBGQKWBCFHQOFX-KGLIPLIRSA-N 1 2 378.567 2.130 20 0 GEADLO CN1C(=O)NC2(CC[NH+](Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)C1=O ZINC000131565072 532200378 /nfs/dbraw/zinc/20/03/78/532200378.db2.gz JBDBSIWWZNYENL-UHFFFAOYSA-N 1 2 382.251 2.157 20 0 GEADLO Cc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c2ccc(Br)cc2n1 ZINC000178614945 532207272 /nfs/dbraw/zinc/20/72/72/532207272.db2.gz KJCIMUBCVNARKM-CQSZACIVSA-N 1 2 389.297 2.035 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178804790 532212702 /nfs/dbraw/zinc/21/27/02/532212702.db2.gz ZOJSQBPTKVOLDY-UHFFFAOYSA-N 1 2 396.340 2.367 20 0 GEADLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2c[nH]cc(Br)c2=O)CC1 ZINC000179408549 532230403 /nfs/dbraw/zinc/23/04/03/532230403.db2.gz OHIOBXGZVWHRIC-UHFFFAOYSA-N 1 2 394.273 2.134 20 0 GEADLO Cn1cc[nH+]c1CN1CCC(C(=O)Nc2c[nH]cc(Br)c2=O)CC1 ZINC000179408549 532230410 /nfs/dbraw/zinc/23/04/10/532230410.db2.gz OHIOBXGZVWHRIC-UHFFFAOYSA-N 1 2 394.273 2.134 20 0 GEADLO CS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCCCC2)cc1Br ZINC000179432340 532231441 /nfs/dbraw/zinc/23/14/41/532231441.db2.gz RFSKAWGSOTUUQU-UHFFFAOYSA-N 1 2 389.315 2.068 20 0 GEADLO Cc1cc(Br)ccc1S(=O)(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000133316873 532231517 /nfs/dbraw/zinc/23/15/17/532231517.db2.gz HOFQJYYXGOQDIO-CHWSQXEVSA-N 1 2 391.331 2.145 20 0 GEADLO CCCCNC(=O)C1([NH2+]Cc2csc(CS(C)(=O)=O)n2)CCCCC1 ZINC000132835521 532221875 /nfs/dbraw/zinc/22/18/75/532221875.db2.gz ZKWGMOALYXMPIR-UHFFFAOYSA-N 1 2 387.571 2.397 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc(Br)c1 ZINC000179219924 532225057 /nfs/dbraw/zinc/22/50/57/532225057.db2.gz PINBSCJNLXBQTQ-PBHICJAKSA-N 1 2 388.265 2.371 20 0 GEADLO C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C(=O)NCc1ccccc1 ZINC000179219376 532225148 /nfs/dbraw/zinc/22/51/48/532225148.db2.gz YDVOMFNIKNDHTJ-BLLLJJGKSA-N 1 2 390.281 2.270 20 0 GEADLO COc1cc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)sc1Br ZINC000179255477 532226378 /nfs/dbraw/zinc/22/63/78/532226378.db2.gz BMKDQPXPMGFWNK-UHFFFAOYSA-N 1 2 377.304 2.360 20 0 GEADLO COc1cc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)sc1Br ZINC000179255477 532226381 /nfs/dbraw/zinc/22/63/81/532226381.db2.gz BMKDQPXPMGFWNK-UHFFFAOYSA-N 1 2 377.304 2.360 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2cc(OC)c(Br)s2)CC1 ZINC000133687567 532240675 /nfs/dbraw/zinc/24/06/75/532240675.db2.gz DQSRBELQKCIOKO-UHFFFAOYSA-N 1 2 377.304 2.314 20 0 GEADLO CC(C)NC(=O)C(=O)N1CC[NH+](C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000179792647 532243704 /nfs/dbraw/zinc/24/37/04/532243704.db2.gz LSQQTVFZHWUNCQ-CQSZACIVSA-N 1 2 396.329 2.221 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000179796343 532244102 /nfs/dbraw/zinc/24/41/02/532244102.db2.gz UQRVAEOUQFVBRH-UHFFFAOYSA-N 1 2 387.184 2.069 20 0 GEADLO O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000133922942 532245482 /nfs/dbraw/zinc/24/54/82/532245482.db2.gz MPUWDDALPJBHMI-CABCVRRESA-N 1 2 390.311 2.067 20 0 GEADLO CN(C(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000179613311 532237728 /nfs/dbraw/zinc/23/77/28/532237728.db2.gz ZUCDWWVCPXGYEQ-GFCCVEGCSA-N 1 2 389.315 2.019 20 0 GEADLO CN(C(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000179613311 532237734 /nfs/dbraw/zinc/23/77/34/532237734.db2.gz ZUCDWWVCPXGYEQ-GFCCVEGCSA-N 1 2 389.315 2.019 20 0 GEADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000135351154 532271388 /nfs/dbraw/zinc/27/13/88/532271388.db2.gz UMNIYCXTHSIGJL-HNNXBMFYSA-N 1 2 375.252 2.178 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000180450443 532271558 /nfs/dbraw/zinc/27/15/58/532271558.db2.gz OYANFFJYHVXLDG-KRWDZBQOSA-N 1 2 389.297 2.188 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)NC(=O)NC1CC1 ZINC000134454766 532256503 /nfs/dbraw/zinc/25/65/03/532256503.db2.gz NTEGCXOFDIKINW-VIFPVBQESA-N 1 2 376.404 2.330 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)NC(=O)NC1CC1 ZINC000134454766 532256505 /nfs/dbraw/zinc/25/65/05/532256505.db2.gz NTEGCXOFDIKINW-VIFPVBQESA-N 1 2 376.404 2.330 20 0 GEADLO CC[C@@]1(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CCC[NH2+]1 ZINC000134470375 532257426 /nfs/dbraw/zinc/25/74/26/532257426.db2.gz OJECKQRLOSODFD-INIZCTEOSA-N 1 2 378.274 2.383 20 0 GEADLO CC[C@@]1(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CCC[NH2+]1 ZINC000134470375 532257428 /nfs/dbraw/zinc/25/74/28/532257428.db2.gz OJECKQRLOSODFD-INIZCTEOSA-N 1 2 378.274 2.383 20 0 GEADLO Cc1c(Cl)cccc1OCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000134667921 532260335 /nfs/dbraw/zinc/26/03/35/532260335.db2.gz SGKGWVKCWONHSL-SFHVURJKSA-N 1 2 384.929 2.351 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cc(Cl)c1O)[C@H]1C[N@H+](C)CCO1 ZINC000134983660 532265075 /nfs/dbraw/zinc/26/50/75/532265075.db2.gz PABJHEPAJXQXLB-PRHODGIISA-N 1 2 377.666 2.257 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cc(Cl)c1O)[C@H]1C[N@@H+](C)CCO1 ZINC000134983660 532265078 /nfs/dbraw/zinc/26/50/78/532265078.db2.gz PABJHEPAJXQXLB-PRHODGIISA-N 1 2 377.666 2.257 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)[C@H]3CCO[C@@H]3C)CC2)cs1 ZINC000135615748 532276414 /nfs/dbraw/zinc/27/64/14/532276414.db2.gz DFMMXNRPNBUXBE-CJNGLKHVSA-N 1 2 387.571 2.014 20 0 GEADLO O=S(=O)([C@@H]1CC[N@H+](Cc2csc(-c3ccccn3)n2)C1)N1CCCC1 ZINC000135670337 532277996 /nfs/dbraw/zinc/27/79/96/532277996.db2.gz HEUANPFHJUMRQO-OAHLLOKOSA-N 1 2 378.523 2.205 20 0 GEADLO O=S(=O)([C@@H]1CC[N@@H+](Cc2csc(-c3ccccn3)n2)C1)N1CCCC1 ZINC000135670337 532277999 /nfs/dbraw/zinc/27/79/99/532277999.db2.gz HEUANPFHJUMRQO-OAHLLOKOSA-N 1 2 378.523 2.205 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135724592 532279088 /nfs/dbraw/zinc/27/90/88/532279088.db2.gz QLBWEKSSEBNSBI-OAHLLOKOSA-N 1 2 385.917 2.087 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135724592 532279090 /nfs/dbraw/zinc/27/90/90/532279090.db2.gz QLBWEKSSEBNSBI-OAHLLOKOSA-N 1 2 385.917 2.087 20 0 GEADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000135975825 532280549 /nfs/dbraw/zinc/28/05/49/532280549.db2.gz YIZGIAMAHFCZBO-GFCCVEGCSA-N 1 2 380.279 2.496 20 0 GEADLO O=C1NC[C@H]2C[N@H+](Cc3ccc(-c4cccc(Cl)c4)s3)CCN2C1=O ZINC000180487793 532273195 /nfs/dbraw/zinc/27/31/95/532273195.db2.gz GKBDHNQRQNXVLA-AWEZNQCLSA-N 1 2 375.881 2.211 20 0 GEADLO O=C1NC[C@H]2C[N@@H+](Cc3ccc(-c4cccc(Cl)c4)s3)CCN2C1=O ZINC000180487793 532273198 /nfs/dbraw/zinc/27/31/98/532273198.db2.gz GKBDHNQRQNXVLA-AWEZNQCLSA-N 1 2 375.881 2.211 20 0 GEADLO CC[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000137729968 532291354 /nfs/dbraw/zinc/29/13/54/532291354.db2.gz GKJXZWXAENRHHM-HBNTYKKESA-N 1 2 378.420 2.337 20 0 GEADLO CC[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000137729968 532291356 /nfs/dbraw/zinc/29/13/56/532291356.db2.gz GKJXZWXAENRHHM-HBNTYKKESA-N 1 2 378.420 2.337 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139053689 532292228 /nfs/dbraw/zinc/29/22/28/532292228.db2.gz JWFVVXKUSIKNTF-WFASDCNBSA-N 1 2 395.301 2.266 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139053689 532292231 /nfs/dbraw/zinc/29/22/31/532292231.db2.gz JWFVVXKUSIKNTF-WFASDCNBSA-N 1 2 395.301 2.266 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCN(c2cnccn2)CC1 ZINC000144315139 532296681 /nfs/dbraw/zinc/29/66/81/532296681.db2.gz ZAMBXCGISSWOLH-CYBMUJFWSA-N 1 2 390.285 2.388 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000181527098 532300625 /nfs/dbraw/zinc/30/06/25/532300625.db2.gz DGUJVMOHJMLVGP-LBPRGKRZSA-N 1 2 380.794 2.124 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000181567396 532302159 /nfs/dbraw/zinc/30/21/59/532302159.db2.gz XBZNYLYBABBOFC-AWEZNQCLSA-N 1 2 382.917 2.254 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000181567396 532302162 /nfs/dbraw/zinc/30/21/62/532302162.db2.gz XBZNYLYBABBOFC-AWEZNQCLSA-N 1 2 382.917 2.254 20 0 GEADLO C[N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1cc(Br)ccc1F ZINC000181604242 532303254 /nfs/dbraw/zinc/30/32/54/532303254.db2.gz CBRICUBYRIQEPV-UHFFFAOYSA-N 1 2 389.265 2.478 20 0 GEADLO C[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1cc(Br)ccc1F ZINC000181604242 532303258 /nfs/dbraw/zinc/30/32/58/532303258.db2.gz CBRICUBYRIQEPV-UHFFFAOYSA-N 1 2 389.265 2.478 20 0 GEADLO CC[C@@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000137730140 532291153 /nfs/dbraw/zinc/29/11/53/532291153.db2.gz GKJXZWXAENRHHM-OUAUKWLOSA-N 1 2 378.420 2.337 20 0 GEADLO CC[C@@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000137730140 532291156 /nfs/dbraw/zinc/29/11/56/532291156.db2.gz GKJXZWXAENRHHM-OUAUKWLOSA-N 1 2 378.420 2.337 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000182607859 532315770 /nfs/dbraw/zinc/31/57/70/532315770.db2.gz BTUBEGVLODUWTA-UHFFFAOYSA-N 1 2 380.897 2.339 20 0 GEADLO CS(=O)(=O)N1CCC[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000182669288 532316316 /nfs/dbraw/zinc/31/63/16/532316316.db2.gz FYRLCBMUZXUWDY-UHFFFAOYSA-N 1 2 388.917 2.011 20 0 GEADLO CS(=O)(=O)N1CCC[N@@H+](CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000182669288 532316319 /nfs/dbraw/zinc/31/63/19/532316319.db2.gz FYRLCBMUZXUWDY-UHFFFAOYSA-N 1 2 388.917 2.011 20 0 GEADLO CC[C@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)c1nccs1 ZINC000185113041 532336942 /nfs/dbraw/zinc/33/69/42/532336942.db2.gz YREVTZSCFZAONA-LBPRGKRZSA-N 1 2 377.861 2.452 20 0 GEADLO CC(C)[NH+]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC1 ZINC000185826092 532338841 /nfs/dbraw/zinc/33/88/41/532338841.db2.gz YXMWHIJEDAJXGN-UHFFFAOYSA-N 1 2 389.315 2.099 20 0 GEADLO CC1(C)NC(=O)N(CC[NH+]2CCN(c3c(Cl)cccc3Cl)CC2)C1=O ZINC000186029458 532339576 /nfs/dbraw/zinc/33/95/76/532339576.db2.gz BQFFOJQTDUXDDX-UHFFFAOYSA-N 1 2 385.295 2.446 20 0 GEADLO CC(C)c1nc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)cs1 ZINC000186402955 532340729 /nfs/dbraw/zinc/34/07/29/532340729.db2.gz IPXMXYGJKVFPCG-UONOGXRCSA-N 1 2 375.560 2.406 20 0 GEADLO COC(=O)CC1(CS(=O)(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CC1 ZINC000183838095 532329213 /nfs/dbraw/zinc/32/92/13/532329213.db2.gz DRNIYTNUSZSNDD-AWEZNQCLSA-N 1 2 386.539 2.100 20 0 GEADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)[C@@H](C)C(F)(F)F)CC2)oc1C ZINC000184471672 532332880 /nfs/dbraw/zinc/33/28/80/532332880.db2.gz XXBKUZLVUSVTNM-LBPRGKRZSA-N 1 2 383.436 2.374 20 0 GEADLO C[C@H](C(F)(F)F)S(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000184523188 532333567 /nfs/dbraw/zinc/33/35/67/532333567.db2.gz KRHWCMMTMMWUEI-CQSZACIVSA-N 1 2 379.448 2.021 20 0 GEADLO C[C@@H](C(F)(F)F)S(=O)(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000184700566 532334618 /nfs/dbraw/zinc/33/46/18/532334618.db2.gz NJSMJUHHYAXWIS-LBPRGKRZSA-N 1 2 399.866 2.332 20 0 GEADLO CSC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000187802273 532345684 /nfs/dbraw/zinc/34/56/84/532345684.db2.gz OJKSWMSCKXHJPB-LLVKDONJSA-N 1 2 399.365 2.024 20 0 GEADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000188317015 532347819 /nfs/dbraw/zinc/34/78/19/532347819.db2.gz LBQHFXCOTOBHTF-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000188317015 532347820 /nfs/dbraw/zinc/34/78/20/532347820.db2.gz LBQHFXCOTOBHTF-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1CCO ZINC000188720711 532349401 /nfs/dbraw/zinc/34/94/01/532349401.db2.gz JYKDPLZYAVUOSU-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC[N@H+]1CCO ZINC000188720711 532349402 /nfs/dbraw/zinc/34/94/02/532349402.db2.gz JYKDPLZYAVUOSU-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1CCO ZINC000188720687 532349475 /nfs/dbraw/zinc/34/94/75/532349475.db2.gz JYKDPLZYAVUOSU-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC[N@H+]1CCO ZINC000188720687 532349476 /nfs/dbraw/zinc/34/94/76/532349476.db2.gz JYKDPLZYAVUOSU-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO NS(=O)(=O)c1ccc(N2CC[NH+](Cc3cc(F)ccc3Cl)CC2)cc1 ZINC000188836736 532349659 /nfs/dbraw/zinc/34/96/59/532349659.db2.gz QGAJVZSKXMCKEU-UHFFFAOYSA-N 1 2 383.876 2.449 20 0 GEADLO COC(=O)C[C@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)CCO1 ZINC000189082883 532350717 /nfs/dbraw/zinc/35/07/17/532350717.db2.gz RHIXQYMUOGYQSI-AWEZNQCLSA-N 1 2 376.222 2.231 20 0 GEADLO COC(=O)C[C@H]1C[N@@H+](CCOc2cc(F)cc(Br)c2)CCO1 ZINC000189082883 532350718 /nfs/dbraw/zinc/35/07/18/532350718.db2.gz RHIXQYMUOGYQSI-AWEZNQCLSA-N 1 2 376.222 2.231 20 0 GEADLO Cc1nc(SCCC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)n[nH]1 ZINC000189402612 532352064 /nfs/dbraw/zinc/35/20/64/532352064.db2.gz TWUFKGMICDIMMB-UHFFFAOYSA-N 1 2 379.917 2.423 20 0 GEADLO Cc1nc(SCCC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)n[nH]1 ZINC000189402612 532352065 /nfs/dbraw/zinc/35/20/65/532352065.db2.gz TWUFKGMICDIMMB-UHFFFAOYSA-N 1 2 379.917 2.423 20 0 GEADLO Cc1nnc(SCCC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)[nH]1 ZINC000189402612 532352066 /nfs/dbraw/zinc/35/20/66/532352066.db2.gz TWUFKGMICDIMMB-UHFFFAOYSA-N 1 2 379.917 2.423 20 0 GEADLO Cc1nnc(SCCC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)[nH]1 ZINC000189402612 532352067 /nfs/dbraw/zinc/35/20/67/532352067.db2.gz TWUFKGMICDIMMB-UHFFFAOYSA-N 1 2 379.917 2.423 20 0 GEADLO Cc1cc2c(ncnc2N2CC[NH+](CCCS(=O)(=O)C(C)C)CC2)s1 ZINC000189513317 532352521 /nfs/dbraw/zinc/35/25/21/532352521.db2.gz RQZKJZUYJKLSKI-UHFFFAOYSA-N 1 2 382.555 2.335 20 0 GEADLO COC[C@H](C)C[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000189564986 532352793 /nfs/dbraw/zinc/35/27/93/532352793.db2.gz AYDBXPSYBRPPMK-LLVKDONJSA-N 1 2 397.360 2.099 20 0 GEADLO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1I ZINC000189607926 532352907 /nfs/dbraw/zinc/35/29/07/532352907.db2.gz GTFZKBCGXXJMEK-HNNXBMFYSA-N 1 2 388.249 2.467 20 0 GEADLO CC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccccc1I ZINC000189607926 532352908 /nfs/dbraw/zinc/35/29/08/532352908.db2.gz GTFZKBCGXXJMEK-HNNXBMFYSA-N 1 2 388.249 2.467 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000189786467 532353764 /nfs/dbraw/zinc/35/37/64/532353764.db2.gz AJGAJAXQCQPBDB-UHFFFAOYSA-N 1 2 376.251 2.462 20 0 GEADLO Cc1nnsc1C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000190491416 532356405 /nfs/dbraw/zinc/35/64/05/532356405.db2.gz SUYWVYUQFATCGZ-UHFFFAOYSA-N 1 2 376.873 2.106 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000190575207 532356848 /nfs/dbraw/zinc/35/68/48/532356848.db2.gz LEANAKBLTQVGQN-ZDUSSCGKSA-N 1 2 388.917 2.222 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000190831994 532358121 /nfs/dbraw/zinc/35/81/21/532358121.db2.gz UDQAQCUEMFTHAO-MRXNPFEDSA-N 1 2 389.587 2.214 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000190831994 532358122 /nfs/dbraw/zinc/35/81/22/532358122.db2.gz UDQAQCUEMFTHAO-MRXNPFEDSA-N 1 2 389.587 2.214 20 0 GEADLO COCC[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cccnc1 ZINC000191237116 532360025 /nfs/dbraw/zinc/36/00/25/532360025.db2.gz XCRWYTNRIWKMAX-UHFFFAOYSA-N 1 2 379.258 2.326 20 0 GEADLO COCC[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cccnc1 ZINC000191237116 532360026 /nfs/dbraw/zinc/36/00/26/532360026.db2.gz XCRWYTNRIWKMAX-UHFFFAOYSA-N 1 2 379.258 2.326 20 0 GEADLO O=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000187369176 532344170 /nfs/dbraw/zinc/34/41/70/532344170.db2.gz AFZIDMGJZBWFNK-LBPRGKRZSA-N 1 2 377.432 2.322 20 0 GEADLO O=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000187369176 532344171 /nfs/dbraw/zinc/34/41/71/532344171.db2.gz AFZIDMGJZBWFNK-LBPRGKRZSA-N 1 2 377.432 2.322 20 0 GEADLO CC[C@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)Oc1ccccc1Cl ZINC000463421810 532373641 /nfs/dbraw/zinc/37/36/41/532373641.db2.gz NUGUIIBXJNXGMO-OAHLLOKOSA-N 1 2 390.933 2.139 20 0 GEADLO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647574891 532376621 /nfs/dbraw/zinc/37/66/21/532376621.db2.gz XAQYOJNNLUQAKK-CYBMUJFWSA-N 1 2 381.885 2.079 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2c(F)cccc2Br)C1 ZINC000278401787 532377851 /nfs/dbraw/zinc/37/78/51/532377851.db2.gz WQHWOEYSMUPIEI-OLZOCXBDSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000278401787 532377859 /nfs/dbraw/zinc/37/78/59/532377859.db2.gz WQHWOEYSMUPIEI-OLZOCXBDSA-N 1 2 376.266 2.434 20 0 GEADLO C[C@H]1C[N@H+](CCSc2nnnn2-c2ccc(Br)cc2)CCO1 ZINC000191569837 532361432 /nfs/dbraw/zinc/36/14/32/532361432.db2.gz ZTZIWURJQPKGQS-NSHDSACASA-N 1 2 384.303 2.238 20 0 GEADLO C[C@H]1C[N@@H+](CCSc2nnnn2-c2ccc(Br)cc2)CCO1 ZINC000191569837 532361433 /nfs/dbraw/zinc/36/14/33/532361433.db2.gz ZTZIWURJQPKGQS-NSHDSACASA-N 1 2 384.303 2.238 20 0 GEADLO O=C1[C@@H]([NH2+]Cc2nnc3n2CCCC3)CCN1c1cccc(Br)c1 ZINC000191681239 532362019 /nfs/dbraw/zinc/36/20/19/532362019.db2.gz OXGFIIJYJATOEJ-AWEZNQCLSA-N 1 2 390.285 2.272 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)c1ncc(Br)cn1 ZINC000647119416 532366763 /nfs/dbraw/zinc/36/67/63/532366763.db2.gz SYVLFJYGUSQEMI-DOMZBBRYSA-N 1 2 390.285 2.476 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)c1ncc(Br)cn1 ZINC000647119416 532366769 /nfs/dbraw/zinc/36/67/69/532366769.db2.gz SYVLFJYGUSQEMI-DOMZBBRYSA-N 1 2 390.285 2.476 20 0 GEADLO CCOc1cncc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000621710778 532366823 /nfs/dbraw/zinc/36/68/23/532366823.db2.gz PVVMKLLUMSOKPZ-UHFFFAOYSA-N 1 2 381.523 2.485 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)c1cc2c(s1)CCS(=O)(=O)C2)c1cccs1 ZINC000372003102 532367154 /nfs/dbraw/zinc/36/71/54/532367154.db2.gz DHUZCTDHFCQBID-GFCCVEGCSA-N 1 2 384.548 2.313 20 0 GEADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000622880137 532380803 /nfs/dbraw/zinc/38/08/03/532380803.db2.gz MHEOLIKXXGIRDE-SNVBAGLBSA-N 1 2 390.245 2.132 20 0 GEADLO C[C@@H](C(=O)NC1(c2noc(C(F)(F)F)n2)CCCC1)[NH+]1CCSCC1 ZINC000558020320 532380844 /nfs/dbraw/zinc/38/08/44/532380844.db2.gz LEWXBJCQUZWTGW-JTQLQIEISA-N 1 2 378.420 2.411 20 0 GEADLO O=S1(=O)CC[C@H](CC[NH+]2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC000677677291 532381387 /nfs/dbraw/zinc/38/13/87/532381387.db2.gz VDXLOHXZCXBSEP-INIZCTEOSA-N 1 2 386.945 2.161 20 0 GEADLO Cc1cccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)c1Br ZINC000372292658 532381954 /nfs/dbraw/zinc/38/19/54/532381954.db2.gz DHZRERYDCBLMDT-SFHVURJKSA-N 1 2 397.313 2.369 20 0 GEADLO CN(C)C(=O)[C@@](C)(NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(F)(F)F ZINC000622900909 532382890 /nfs/dbraw/zinc/38/28/90/532382890.db2.gz QJGHOWUQEKMXRL-IUODEOHRSA-N 1 2 379.810 2.468 20 0 GEADLO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC000425399607 532384225 /nfs/dbraw/zinc/38/42/25/532384225.db2.gz PFINJAGQGCNQPL-UHFFFAOYSA-N 1 2 387.571 2.079 20 0 GEADLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccco1 ZINC000647897347 532384706 /nfs/dbraw/zinc/38/47/06/532384706.db2.gz WYSPYVSFLNOFOO-SNVBAGLBSA-N 1 2 380.392 2.383 20 0 GEADLO COc1cc(Br)c(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1OC ZINC000623300734 532385483 /nfs/dbraw/zinc/38/54/83/532385483.db2.gz YVQUGDRGDMZMBB-JTQLQIEISA-N 1 2 380.242 2.408 20 0 GEADLO O=C(NCc1cc2c(c(Br)c1)OCO2)[C@H]1CCc2[nH+]ccn2C1 ZINC000372328071 532386111 /nfs/dbraw/zinc/38/61/11/532386111.db2.gz VMSGNNOGGXERTB-NSHDSACASA-N 1 2 378.226 2.253 20 0 GEADLO CCc1ccc(CNC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000516435665 532386473 /nfs/dbraw/zinc/38/64/73/532386473.db2.gz WTVOPZPISCHRKO-UHFFFAOYSA-N 1 2 377.535 2.333 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623301917 532386730 /nfs/dbraw/zinc/38/67/30/532386730.db2.gz WFJFYOGJOQQHHX-ZDUSSCGKSA-N 1 2 392.253 2.358 20 0 GEADLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccccn2)CC1)n1cc(Br)cn1 ZINC000648226724 532387865 /nfs/dbraw/zinc/38/78/65/532387865.db2.gz XJKOIMUBHCUHBH-AWEZNQCLSA-N 1 2 392.301 2.336 20 0 GEADLO COc1ccc([C@H](C)NC(=O)NC[C@@H]2COCC[N@@H+]2C)cc1Br ZINC000623353498 532388356 /nfs/dbraw/zinc/38/83/56/532388356.db2.gz NSNAXUQPNCQKGI-WCQYABFASA-N 1 2 386.290 2.149 20 0 GEADLO COc1ccc([C@H](C)NC(=O)NC[C@@H]2COCC[N@H+]2C)cc1Br ZINC000623353498 532388359 /nfs/dbraw/zinc/38/83/59/532388359.db2.gz NSNAXUQPNCQKGI-WCQYABFASA-N 1 2 386.290 2.149 20 0 GEADLO C[C@@H]1C[C@@H]([NH2+]Cc2ncc(Br)cc2F)C(=O)N1c1cnn(C)c1 ZINC000623436518 532389317 /nfs/dbraw/zinc/38/93/17/532389317.db2.gz VTGVYPRDZJJHCR-NOZJJQNGSA-N 1 2 382.237 2.000 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678267750 532391725 /nfs/dbraw/zinc/39/17/25/532391725.db2.gz JXSCSAPYSRQJNM-MRXNPFEDSA-N 1 2 382.917 2.098 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678267750 532391731 /nfs/dbraw/zinc/39/17/31/532391731.db2.gz JXSCSAPYSRQJNM-MRXNPFEDSA-N 1 2 382.917 2.098 20 0 GEADLO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623926090 532391836 /nfs/dbraw/zinc/39/18/36/532391836.db2.gz YEVZCWZECNFBSU-YPMHNXCESA-N 1 2 386.290 2.149 20 0 GEADLO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623926090 532391839 /nfs/dbraw/zinc/39/18/39/532391839.db2.gz YEVZCWZECNFBSU-YPMHNXCESA-N 1 2 386.290 2.149 20 0 GEADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cnn2cc(Br)cnc12 ZINC000678306633 532392246 /nfs/dbraw/zinc/39/22/46/532392246.db2.gz MLHOOAKZJUWMKD-UHFFFAOYSA-N 1 2 386.253 2.237 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C[C@@H]1C ZINC000678322888 532393373 /nfs/dbraw/zinc/39/33/73/532393373.db2.gz DSTHBKYUSPVULZ-NSHDSACASA-N 1 2 389.315 2.019 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C[C@@H]1C ZINC000678322888 532393379 /nfs/dbraw/zinc/39/33/79/532393379.db2.gz DSTHBKYUSPVULZ-NSHDSACASA-N 1 2 389.315 2.019 20 0 GEADLO CCC1(CC)C[N@H+](CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)CCS1 ZINC000464581822 532398727 /nfs/dbraw/zinc/39/87/27/532398727.db2.gz JCRYRTDOADBRRU-MRXNPFEDSA-N 1 2 390.615 2.266 20 0 GEADLO CCC1(CC)C[N@@H+](CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)CCS1 ZINC000464581822 532398729 /nfs/dbraw/zinc/39/87/29/532398729.db2.gz JCRYRTDOADBRRU-MRXNPFEDSA-N 1 2 390.615 2.266 20 0 GEADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000591019792 532396591 /nfs/dbraw/zinc/39/65/91/532396591.db2.gz DCCOLWRXTFMEAE-AWEZNQCLSA-N 1 2 387.274 2.288 20 0 GEADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000591019792 532396599 /nfs/dbraw/zinc/39/65/99/532396599.db2.gz DCCOLWRXTFMEAE-AWEZNQCLSA-N 1 2 387.274 2.288 20 0 GEADLO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000678628259 532400028 /nfs/dbraw/zinc/40/00/28/532400028.db2.gz HSCRKRVJYBOKSQ-HUUCEWRRSA-N 1 2 375.296 2.140 20 0 GEADLO COc1ncc(Br)cc1CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000624632206 532400405 /nfs/dbraw/zinc/40/04/05/532400405.db2.gz LOHIIEYVXZZMOJ-LLVKDONJSA-N 1 2 394.273 2.285 20 0 GEADLO C[C@@H]([NH2+]CC(=O)Nc1ccon1)c1cc2c(cc1Br)OCCO2 ZINC000678755355 532401242 /nfs/dbraw/zinc/40/12/42/532401242.db2.gz BQDBPXLNPZLTDZ-SECBINFHSA-N 1 2 382.214 2.498 20 0 GEADLO CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ccc(Br)nc1 ZINC000372643885 532399182 /nfs/dbraw/zinc/39/91/82/532399182.db2.gz HNTQOQAJQOZQFL-UHFFFAOYSA-N 1 2 392.301 2.453 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCS1)c1ccccc1Cl ZINC000559415949 532402063 /nfs/dbraw/zinc/40/20/63/532402063.db2.gz KKPJTQUHTXTPOI-XJKSGUPXSA-N 1 2 383.945 2.461 20 0 GEADLO C[C@H](Cc1cccc(Br)c1)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000517114418 532405665 /nfs/dbraw/zinc/40/56/65/532405665.db2.gz NIOOKPYPZUSIRW-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](Cc1cccc(Br)c1)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000517114418 532405671 /nfs/dbraw/zinc/40/56/71/532405671.db2.gz NIOOKPYPZUSIRW-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372740113 532407096 /nfs/dbraw/zinc/40/70/96/532407096.db2.gz KBQYFWJHENQUAX-LBPRGKRZSA-N 1 2 391.269 2.271 20 0 GEADLO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280069725 532407805 /nfs/dbraw/zinc/40/78/05/532407805.db2.gz KYIKXURIKGUNHG-RRAGMBSWSA-N 1 2 381.203 2.215 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](CO)CC3CC3)[nH+]c12 ZINC000680390046 532413120 /nfs/dbraw/zinc/41/31/20/532413120.db2.gz AGKGYXPUDUKNHQ-OAHLLOKOSA-N 1 2 395.301 2.408 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000192805392 532411940 /nfs/dbraw/zinc/41/19/40/532411940.db2.gz WBABJLROZQWJAP-QWHCGFSZSA-N 1 2 395.352 2.154 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000192805392 532411944 /nfs/dbraw/zinc/41/19/44/532411944.db2.gz WBABJLROZQWJAP-QWHCGFSZSA-N 1 2 395.352 2.154 20 0 GEADLO COC(=O)CN(CC[N@@H+]1CCOC[C@@H]1C)Cc1cccc(Br)c1 ZINC000192819173 532412550 /nfs/dbraw/zinc/41/25/50/532412550.db2.gz XZUBXCMSGYRJTJ-AWEZNQCLSA-N 1 2 385.302 2.145 20 0 GEADLO COC(=O)CN(CC[N@H+]1CCOC[C@@H]1C)Cc1cccc(Br)c1 ZINC000192819173 532412559 /nfs/dbraw/zinc/41/25/59/532412559.db2.gz XZUBXCMSGYRJTJ-AWEZNQCLSA-N 1 2 385.302 2.145 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(Br)s1 ZINC000591600962 532414691 /nfs/dbraw/zinc/41/46/91/532414691.db2.gz KRJZQALCASYHJA-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1ccc(Br)s1 ZINC000591600962 532414700 /nfs/dbraw/zinc/41/47/00/532414700.db2.gz KRJZQALCASYHJA-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO CC[C@H](C(=O)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)[NH+](C)C ZINC000372862611 532414815 /nfs/dbraw/zinc/41/48/15/532414815.db2.gz PDRHTUHXKYGCDZ-QWHCGFSZSA-N 1 2 389.315 2.124 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N(C)C[C@@H](O)C3CC3)[nH+]c12 ZINC000680521009 532416011 /nfs/dbraw/zinc/41/60/11/532416011.db2.gz XTPQWCKRFXXOLE-OAHLLOKOSA-N 1 2 395.301 2.360 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)n1 ZINC000295216749 532418859 /nfs/dbraw/zinc/41/88/59/532418859.db2.gz XIKOFODBYTUAKD-UWVGGRQHSA-N 1 2 379.404 2.460 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)n1 ZINC000295216749 532418864 /nfs/dbraw/zinc/41/88/64/532418864.db2.gz XIKOFODBYTUAKD-UWVGGRQHSA-N 1 2 379.404 2.460 20 0 GEADLO CS(=O)(=O)N1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000649230171 532417353 /nfs/dbraw/zinc/41/73/53/532417353.db2.gz HJQIGTPBJXCWRL-UHFFFAOYSA-N 1 2 388.262 2.218 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000465885546 532420957 /nfs/dbraw/zinc/42/09/57/532420957.db2.gz CWCWUEWLCAPDRZ-JTQLQIEISA-N 1 2 380.436 2.417 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000465885546 532420967 /nfs/dbraw/zinc/42/09/67/532420967.db2.gz CWCWUEWLCAPDRZ-JTQLQIEISA-N 1 2 380.436 2.417 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](CO)CC3CC3)[nH+]c12 ZINC000680613885 532419124 /nfs/dbraw/zinc/41/91/24/532419124.db2.gz IQGODWLWTSNRMV-CYBMUJFWSA-N 1 2 381.274 2.365 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](CO)CC3CC3)[nH+]c12 ZINC000680613888 532419156 /nfs/dbraw/zinc/41/91/56/532419156.db2.gz IQGODWLWTSNRMV-ZDUSSCGKSA-N 1 2 381.274 2.365 20 0 GEADLO O=C(C[NH2+]C1(c2ccccc2Br)CCC1)NCC(=O)N1CCCC1 ZINC000649646715 532419528 /nfs/dbraw/zinc/41/95/28/532419528.db2.gz OCKSWPKHYBXIKA-UHFFFAOYSA-N 1 2 394.313 2.157 20 0 GEADLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000295227911 532423021 /nfs/dbraw/zinc/42/30/21/532423021.db2.gz SGICXRSIFICQIQ-UHFFFAOYSA-N 1 2 391.266 2.147 20 0 GEADLO O=S(=O)(CCC1CCCCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000649678295 532421472 /nfs/dbraw/zinc/42/14/72/532421472.db2.gz FIQBTNXCNBNJGN-QGZVFWFLSA-N 1 2 376.588 2.084 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000465892615 532421734 /nfs/dbraw/zinc/42/17/34/532421734.db2.gz QFBXXKIFBRRGSX-LLVKDONJSA-N 1 2 377.819 2.461 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000465892615 532421737 /nfs/dbraw/zinc/42/17/37/532421737.db2.gz QFBXXKIFBRRGSX-LLVKDONJSA-N 1 2 377.819 2.461 20 0 GEADLO Cc1cnc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(I)c1 ZINC000591820856 532425242 /nfs/dbraw/zinc/42/52/42/532425242.db2.gz JTPDDFSZHSFWLK-KBPBESRZSA-N 1 2 387.265 2.030 20 0 GEADLO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000193630095 532427233 /nfs/dbraw/zinc/42/72/33/532427233.db2.gz XSBONBOJQFLGPH-SWLSCSKDSA-N 1 2 379.507 2.419 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000427664837 532429778 /nfs/dbraw/zinc/42/97/78/532429778.db2.gz KRPCMNGDOTXMSX-JTQLQIEISA-N 1 2 379.829 2.029 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000427664837 532429782 /nfs/dbraw/zinc/42/97/82/532429782.db2.gz KRPCMNGDOTXMSX-JTQLQIEISA-N 1 2 379.829 2.029 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000626166369 532435833 /nfs/dbraw/zinc/43/58/33/532435833.db2.gz UFPXIDWUCZGFAF-JTQLQIEISA-N 1 2 397.285 2.489 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000626166369 532435835 /nfs/dbraw/zinc/43/58/35/532435835.db2.gz UFPXIDWUCZGFAF-JTQLQIEISA-N 1 2 397.285 2.489 20 0 GEADLO C[C@](O)(C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1)C(F)(F)F ZINC000281817350 532435964 /nfs/dbraw/zinc/43/59/64/532435964.db2.gz JWLPJUHFHVXRDJ-HNNXBMFYSA-N 1 2 379.810 2.209 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000626168293 532436101 /nfs/dbraw/zinc/43/61/01/532436101.db2.gz ONRQARBQDAYOJO-NEPJUHHUSA-N 1 2 391.896 2.067 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000626168293 532436102 /nfs/dbraw/zinc/43/61/02/532436102.db2.gz ONRQARBQDAYOJO-NEPJUHHUSA-N 1 2 391.896 2.067 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1Cl)C[NH+]1CCN(C)CC1 ZINC000193900026 532436570 /nfs/dbraw/zinc/43/65/70/532436570.db2.gz ZMKAHJAVWRGJCA-LBPRGKRZSA-N 1 2 380.341 2.155 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)ccc2SC)CCO1 ZINC000427864888 532434637 /nfs/dbraw/zinc/43/46/37/532434637.db2.gz NFNZHKUOPZCVLY-ZDUSSCGKSA-N 1 2 385.917 2.227 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)ccc2SC)CCO1 ZINC000427864888 532434645 /nfs/dbraw/zinc/43/46/45/532434645.db2.gz NFNZHKUOPZCVLY-ZDUSSCGKSA-N 1 2 385.917 2.227 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000592208788 532440668 /nfs/dbraw/zinc/44/06/68/532440668.db2.gz PIYXMHMFZUMIEN-CMPLNLGQSA-N 1 2 392.677 2.337 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000592208788 532440672 /nfs/dbraw/zinc/44/06/72/532440672.db2.gz PIYXMHMFZUMIEN-CMPLNLGQSA-N 1 2 392.677 2.337 20 0 GEADLO Cc1nc(C)n(C2C[NH+](C[C@@H](O)COc3cc(F)cc(Br)c3)C2)n1 ZINC000518167253 532437248 /nfs/dbraw/zinc/43/72/48/532437248.db2.gz YWMRGDIPTGUIBK-OAHLLOKOSA-N 1 2 399.264 2.093 20 0 GEADLO CC[C@H](C)[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(F)(F)F ZINC000373161483 532437346 /nfs/dbraw/zinc/43/73/46/532437346.db2.gz XXWMUIDBYHGMAX-YDHLFZDLSA-N 1 2 383.480 2.471 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(I)c(F)c1 ZINC000427999555 532438893 /nfs/dbraw/zinc/43/88/93/532438893.db2.gz ZWEKQRCBUVMSJK-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO COc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(I)c1 ZINC000428002663 532439985 /nfs/dbraw/zinc/43/99/85/532439985.db2.gz YXUPZCXEFRBPLR-SNVBAGLBSA-N 1 2 397.216 2.241 20 0 GEADLO CSc1ccc(-c2nsc(NC(=O)NC[C@H]3COCC[N@@H+]3C)n2)cc1 ZINC000626567553 532440177 /nfs/dbraw/zinc/44/01/77/532440177.db2.gz UZKCJIUFXNNIIW-LBPRGKRZSA-N 1 2 379.511 2.379 20 0 GEADLO CSc1ccc(-c2nsc(NC(=O)NC[C@H]3COCC[N@H+]3C)n2)cc1 ZINC000626567553 532440182 /nfs/dbraw/zinc/44/01/82/532440182.db2.gz UZKCJIUFXNNIIW-LBPRGKRZSA-N 1 2 379.511 2.379 20 0 GEADLO Nc1nc(N)nc(C[N@@H+]2CCCC[C@@H]2Cc2cccc(Br)c2)n1 ZINC000561473560 532440408 /nfs/dbraw/zinc/44/04/08/532440408.db2.gz SEIASXUKNZKGMI-CYBMUJFWSA-N 1 2 377.290 2.056 20 0 GEADLO Nc1nc(N)nc(C[N@H+]2CCCC[C@@H]2Cc2cccc(Br)c2)n1 ZINC000561473560 532440420 /nfs/dbraw/zinc/44/04/20/532440420.db2.gz SEIASXUKNZKGMI-CYBMUJFWSA-N 1 2 377.290 2.056 20 0 GEADLO C[NH+](C)CCn1cc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)ccc1=O ZINC000295403244 532443246 /nfs/dbraw/zinc/44/32/46/532443246.db2.gz WNKSAEJIFSWPDP-UHFFFAOYSA-N 1 2 391.827 2.142 20 0 GEADLO NS(=O)(=O)c1cc(F)c(NCc2cn3ccccc3[nH+]2)c(Br)c1 ZINC000428104195 532444901 /nfs/dbraw/zinc/44/49/01/532444901.db2.gz QYGZSVPLTMCSFI-UHFFFAOYSA-N 1 2 399.245 2.495 20 0 GEADLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)N(C)Cc1ccccc1Br)CCO2 ZINC000373407137 532446487 /nfs/dbraw/zinc/44/64/87/532446487.db2.gz YFAJKWJTPIFPMK-KSSFIOAISA-N 1 2 397.313 2.287 20 0 GEADLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)N(C)Cc1ccccc1Br)CCO2 ZINC000373407137 532446492 /nfs/dbraw/zinc/44/64/92/532446492.db2.gz YFAJKWJTPIFPMK-KSSFIOAISA-N 1 2 397.313 2.287 20 0 GEADLO CNc1[nH+]cnc2c1cnn2Cc1nnc(-c2ccc(Br)o2)o1 ZINC000194430327 532449243 /nfs/dbraw/zinc/44/92/43/532449243.db2.gz LHQYVIYCCWVLIC-UHFFFAOYSA-N 1 2 376.174 2.322 20 0 GEADLO Cc1cc(Br)cc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000467537806 532449309 /nfs/dbraw/zinc/44/93/09/532449309.db2.gz ZTCDQCVCAXFITC-KRWDZBQOSA-N 1 2 397.313 2.321 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](O)C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000682878357 532451354 /nfs/dbraw/zinc/45/13/54/532451354.db2.gz DVZYORQVIWBRIT-JHJVBQTASA-N 1 2 383.773 2.447 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)NC[C@@H](O)C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000682878357 532451357 /nfs/dbraw/zinc/45/13/57/532451357.db2.gz DVZYORQVIWBRIT-JHJVBQTASA-N 1 2 383.773 2.447 20 0 GEADLO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000592371453 532451837 /nfs/dbraw/zinc/45/18/37/532451837.db2.gz PWVZZHHXLZCBBR-HOCLYGCPSA-N 1 2 381.567 2.340 20 0 GEADLO CCn1cc[nH+]c1CNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000295493493 532453979 /nfs/dbraw/zinc/45/39/79/532453979.db2.gz NJXCCPOSBFYTHZ-UHFFFAOYSA-N 1 2 380.214 2.422 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000194763776 532455792 /nfs/dbraw/zinc/45/57/92/532455792.db2.gz BSMNXTIYOBGXCH-TXEJJXNPSA-N 1 2 387.322 2.477 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000194763776 532455797 /nfs/dbraw/zinc/45/57/97/532455797.db2.gz BSMNXTIYOBGXCH-TXEJJXNPSA-N 1 2 387.322 2.477 20 0 GEADLO O=C(CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)Nc1ccc(Br)cc1 ZINC000373581775 532459055 /nfs/dbraw/zinc/45/90/55/532459055.db2.gz LGMAUMYOHBQBDV-GFCCVEGCSA-N 1 2 391.269 2.353 20 0 GEADLO CCc1n[nH]c(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)c1Br ZINC000468242689 532460037 /nfs/dbraw/zinc/46/00/37/532460037.db2.gz DQZXGFITYWAPII-GFCCVEGCSA-N 1 2 387.322 2.211 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCC3([S@@](C)=O)CC3)[nH+]c12 ZINC000282379201 532460878 /nfs/dbraw/zinc/46/08/78/532460878.db2.gz WBBGGDDAJWTAMQ-HSZRJFAPSA-N 1 2 399.314 2.116 20 0 GEADLO Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)s1 ZINC000592789307 532464440 /nfs/dbraw/zinc/46/44/40/532464440.db2.gz JYKVQDJLONOXKG-ZDUSSCGKSA-N 1 2 378.567 2.475 20 0 GEADLO CS(=O)(=O)N1CC[NH+](CCNc2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000683932397 532468927 /nfs/dbraw/zinc/46/89/27/532468927.db2.gz MOEJHIGVTJPHOV-UHFFFAOYSA-N 1 2 393.296 2.124 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC000519565949 532469804 /nfs/dbraw/zinc/46/98/04/532469804.db2.gz HYLYIVNRISREMI-UHFFFAOYSA-N 1 2 385.559 2.126 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(F)c1)C(C)(C)CO ZINC000295725974 532471920 /nfs/dbraw/zinc/47/19/20/532471920.db2.gz MBIGECMYLDYMPR-CQSZACIVSA-N 1 2 389.880 2.392 20 0 GEADLO CN(CC(=O)Nc1c[nH+]c2n1CCCC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000562556349 532472038 /nfs/dbraw/zinc/47/20/38/532472038.db2.gz GNTISVABOALWMT-UHFFFAOYSA-N 1 2 382.873 2.132 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000295724932 532472925 /nfs/dbraw/zinc/47/29/25/532472925.db2.gz LBMYTUIDGQPIIO-UHFFFAOYSA-N 1 2 397.248 2.241 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000628916932 532477082 /nfs/dbraw/zinc/47/70/82/532477082.db2.gz GPWMNSXEONNRMW-GFCCVEGCSA-N 1 2 398.326 2.438 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000628916932 532477083 /nfs/dbraw/zinc/47/70/83/532477083.db2.gz GPWMNSXEONNRMW-GFCCVEGCSA-N 1 2 398.326 2.438 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000562704833 532477355 /nfs/dbraw/zinc/47/73/55/532477355.db2.gz BGRGWYOKNJEVEA-RDJZCZTQSA-N 1 2 394.313 2.452 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000562704833 532477356 /nfs/dbraw/zinc/47/73/56/532477356.db2.gz BGRGWYOKNJEVEA-RDJZCZTQSA-N 1 2 394.313 2.452 20 0 GEADLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628924075 532477852 /nfs/dbraw/zinc/47/78/52/532477852.db2.gz ZASBEMKRWYUSIF-CYBMUJFWSA-N 1 2 380.286 2.228 20 0 GEADLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628924075 532477859 /nfs/dbraw/zinc/47/78/59/532477859.db2.gz ZASBEMKRWYUSIF-CYBMUJFWSA-N 1 2 380.286 2.228 20 0 GEADLO Cn1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)cn1 ZINC000562714832 532479133 /nfs/dbraw/zinc/47/91/33/532479133.db2.gz SJJWRJNGISACHB-UHFFFAOYSA-N 1 2 384.889 2.347 20 0 GEADLO O=C(N[C@H](CCO)c1ccccc1Br)[C@H]1CCc2c[nH+]cn2C1 ZINC000519822375 532480190 /nfs/dbraw/zinc/48/01/90/532480190.db2.gz NAAMWBJPTJLMIP-BLLLJJGKSA-N 1 2 378.270 2.448 20 0 GEADLO COc1ccc(Br)c(CC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000468896889 532480961 /nfs/dbraw/zinc/48/09/61/532480961.db2.gz JIRISNVALKZUAN-CYBMUJFWSA-N 1 2 385.302 2.179 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000684836582 532484224 /nfs/dbraw/zinc/48/42/24/532484224.db2.gz QBOSTVJOUYNATG-NSHDSACASA-N 1 2 394.273 2.410 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1c(C)ccc(F)c1Br)CC2 ZINC000651668132 532484343 /nfs/dbraw/zinc/48/43/43/532484343.db2.gz WJZKHNIGUCSKCB-UHFFFAOYSA-N 1 2 395.232 2.382 20 0 GEADLO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCOCC(F)F)CC1 ZINC000468993615 532485912 /nfs/dbraw/zinc/48/59/12/532485912.db2.gz OQDXBPNISUFTQT-MRXNPFEDSA-N 1 2 376.831 2.453 20 0 GEADLO O=C1CO[C@@H]2CC[N@@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@H]2N1 ZINC000374046502 532486529 /nfs/dbraw/zinc/48/65/29/532486529.db2.gz VPWKZGANMTUZRX-HUUCEWRRSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@@H]2CC[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@H]2N1 ZINC000374046502 532486533 /nfs/dbraw/zinc/48/65/33/532486533.db2.gz VPWKZGANMTUZRX-HUUCEWRRSA-N 1 2 392.253 2.193 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)C2(c3cncc(Br)c3)CC2)CCO1 ZINC000684983767 532488620 /nfs/dbraw/zinc/48/86/20/532488620.db2.gz HLYCOBIVQSKZTD-OAHLLOKOSA-N 1 2 382.302 2.103 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)C2(c3cncc(Br)c3)CC2)CCO1 ZINC000684983767 532488625 /nfs/dbraw/zinc/48/86/25/532488625.db2.gz HLYCOBIVQSKZTD-OAHLLOKOSA-N 1 2 382.302 2.103 20 0 GEADLO NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCSC[C@H]2c2cccs2)c1 ZINC000374105177 532488989 /nfs/dbraw/zinc/48/89/89/532488989.db2.gz GHVMYVHSOAUKTJ-AWEZNQCLSA-N 1 2 397.547 2.124 20 0 GEADLO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCSC[C@H]2c2cccs2)c1 ZINC000374105177 532488995 /nfs/dbraw/zinc/48/89/95/532488995.db2.gz GHVMYVHSOAUKTJ-AWEZNQCLSA-N 1 2 397.547 2.124 20 0 GEADLO CC[N@H+](CCOCCO)Cc1ncc(Br)cc1Br ZINC000282705466 532489112 /nfs/dbraw/zinc/48/91/12/532489112.db2.gz KCWOABCVMRXWNK-UHFFFAOYSA-N 1 2 382.096 2.437 20 0 GEADLO CC[N@@H+](CCOCCO)Cc1ncc(Br)cc1Br ZINC000282705466 532489118 /nfs/dbraw/zinc/48/91/18/532489118.db2.gz KCWOABCVMRXWNK-UHFFFAOYSA-N 1 2 382.096 2.437 20 0 GEADLO CCS(=O)(=O)CC[NH2+]Cc1ncc(Br)cc1Br ZINC000229603211 532491294 /nfs/dbraw/zinc/49/12/94/532491294.db2.gz YTZIZIRIIHPGMC-UHFFFAOYSA-N 1 2 386.109 2.131 20 0 GEADLO C[N@@H+]1CC[C@@H](CNS(=O)(=O)NCC(F)(F)F)[C@H]1c1cccc(Cl)c1 ZINC000374237916 532493758 /nfs/dbraw/zinc/49/37/58/532493758.db2.gz NZIJSEIBEXXCSL-WCQYABFASA-N 1 2 385.839 2.319 20 0 GEADLO C[N@H+]1CC[C@@H](CNS(=O)(=O)NCC(F)(F)F)[C@H]1c1cccc(Cl)c1 ZINC000374237916 532493762 /nfs/dbraw/zinc/49/37/62/532493762.db2.gz NZIJSEIBEXXCSL-WCQYABFASA-N 1 2 385.839 2.319 20 0 GEADLO COc1ccc(-c2cc(C[NH2+]Cc3ccc(S(N)(=O)=O)s3)on2)cc1 ZINC000685491497 532493785 /nfs/dbraw/zinc/49/37/85/532493785.db2.gz SQAVOGDRYHBTDO-UHFFFAOYSA-N 1 2 379.463 2.349 20 0 GEADLO O=S(=O)(CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)c1cc(Cl)ccc1Cl ZINC000563022479 532494440 /nfs/dbraw/zinc/49/44/40/532494440.db2.gz CVRNFEPUCRKICS-SNVBAGLBSA-N 1 2 375.281 2.375 20 0 GEADLO O=S(=O)(CC[N@H+]1CC[C@@H](c2nnc[nH]2)C1)c1cc(Cl)ccc1Cl ZINC000563022479 532494448 /nfs/dbraw/zinc/49/44/48/532494448.db2.gz CVRNFEPUCRKICS-SNVBAGLBSA-N 1 2 375.281 2.375 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(I)cc1 ZINC000469173163 532494532 /nfs/dbraw/zinc/49/45/32/532494532.db2.gz JWWBSSIRPIWUGR-GFCCVEGCSA-N 1 2 388.249 2.084 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000469203381 532495564 /nfs/dbraw/zinc/49/55/64/532495564.db2.gz UDWMDVHLOJBMJB-KBPBESRZSA-N 1 2 385.302 2.396 20 0 GEADLO O=S(=O)(c1cnc2ccsc2c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282775862 532496083 /nfs/dbraw/zinc/49/60/83/532496083.db2.gz OQZWRQGVAMJUDM-CQSZACIVSA-N 1 2 381.523 2.029 20 0 GEADLO Cn1cc[nH+]c1[C@H]1N(C(=O)C(=O)Nc2cccnc2Br)CC1(C)C ZINC000296041199 532496614 /nfs/dbraw/zinc/49/66/14/532496614.db2.gz HYJJOZODZUAGHM-LLVKDONJSA-N 1 2 392.257 2.126 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCCCOc1ccc(Br)cc1 ZINC000628916718 532476153 /nfs/dbraw/zinc/47/61/53/532476153.db2.gz JXSKGHXMZCYUFI-OAHLLOKOSA-N 1 2 385.302 2.445 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCCCOc1ccc(Br)cc1 ZINC000628916718 532476162 /nfs/dbraw/zinc/47/61/62/532476162.db2.gz JXSKGHXMZCYUFI-OAHLLOKOSA-N 1 2 385.302 2.445 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000628911385 532476342 /nfs/dbraw/zinc/47/63/42/532476342.db2.gz BDUDILGSLDZQMF-MRXNPFEDSA-N 1 2 382.302 2.110 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000628911385 532476347 /nfs/dbraw/zinc/47/63/47/532476347.db2.gz BDUDILGSLDZQMF-MRXNPFEDSA-N 1 2 382.302 2.110 20 0 GEADLO Cc1nc(N)c(CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)c[nH+]1 ZINC000652113528 532504068 /nfs/dbraw/zinc/50/40/68/532504068.db2.gz SPIMYZPIGOUONP-GFCCVEGCSA-N 1 2 377.242 2.312 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000296191232 532504631 /nfs/dbraw/zinc/50/46/31/532504631.db2.gz YLLWVYJDEQEEQQ-OAHLLOKOSA-N 1 2 386.945 2.433 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000296191232 532504634 /nfs/dbraw/zinc/50/46/34/532504634.db2.gz YLLWVYJDEQEEQQ-OAHLLOKOSA-N 1 2 386.945 2.433 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2OC)[C@H](C)C1 ZINC000563434245 532504808 /nfs/dbraw/zinc/50/48/08/532504808.db2.gz BBYWTOXATGXJEL-SNVBAGLBSA-N 1 2 395.294 2.312 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2OC)[C@H](C)C1 ZINC000563434245 532504810 /nfs/dbraw/zinc/50/48/10/532504810.db2.gz BBYWTOXATGXJEL-SNVBAGLBSA-N 1 2 395.294 2.312 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCOCC(F)(F)F)c1ccccc1 ZINC000521062686 532504938 /nfs/dbraw/zinc/50/49/38/532504938.db2.gz YZSXUZLLMMWOMP-CYBMUJFWSA-N 1 2 377.388 2.008 20 0 GEADLO C[C@@H]1C[C@H](S(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000296214703 532506231 /nfs/dbraw/zinc/50/62/31/532506231.db2.gz MOGXVSBMCYYOJA-BPQIPLTHSA-N 1 2 384.567 2.091 20 0 GEADLO C[C@@H]1C[C@H](S(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CCO1 ZINC000296214703 532506236 /nfs/dbraw/zinc/50/62/36/532506236.db2.gz MOGXVSBMCYYOJA-BPQIPLTHSA-N 1 2 384.567 2.091 20 0 GEADLO C[N@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296219390 532506306 /nfs/dbraw/zinc/50/63/06/532506306.db2.gz KBMZYMFXYDNDEP-OAHLLOKOSA-N 1 2 391.917 2.062 20 0 GEADLO C[N@@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296219390 532506311 /nfs/dbraw/zinc/50/63/11/532506311.db2.gz KBMZYMFXYDNDEP-OAHLLOKOSA-N 1 2 391.917 2.062 20 0 GEADLO C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ncccn1)c1ncc(Br)cn1 ZINC000431133001 532506720 /nfs/dbraw/zinc/50/67/20/532506720.db2.gz QKIWQVPAHWPBKG-SECBINFHSA-N 1 2 398.228 2.331 20 0 GEADLO CC(C)(C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)[NH+]1CCOCC1 ZINC000469627237 532506827 /nfs/dbraw/zinc/50/68/27/532506827.db2.gz JMLIFUANXIUEEX-MRXNPFEDSA-N 1 2 397.313 2.460 20 0 GEADLO Cc1nc(NC(=O)CN2CC[NH2+]CC2=O)sc1Cc1cccc(Cl)c1 ZINC000237666958 532510170 /nfs/dbraw/zinc/51/01/70/532510170.db2.gz JPHBQDBPXIUPID-UHFFFAOYSA-N 1 2 378.885 2.066 20 0 GEADLO Cc1nn(C)c(S(=O)(=O)Nc2cc[nH+]c(C)c2Br)c1C(F)F ZINC000521405563 532513499 /nfs/dbraw/zinc/51/34/99/532513499.db2.gz AGCJYSALQZSLKX-UHFFFAOYSA-N 1 2 395.229 2.355 20 0 GEADLO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000374606427 532513579 /nfs/dbraw/zinc/51/35/79/532513579.db2.gz BTAZNPOBYVZNLB-LLVKDONJSA-N 1 2 391.280 2.246 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1c(O)cc(Cl)cc1Cl ZINC000563940566 532514826 /nfs/dbraw/zinc/51/48/26/532514826.db2.gz JDZZXIHLWFIYCL-UHFFFAOYSA-N 1 2 389.279 2.310 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCc2c[nH+]ccc2OC)c1 ZINC000431586678 532516778 /nfs/dbraw/zinc/51/67/78/532516778.db2.gz SUUUUWNICSVBBR-UHFFFAOYSA-N 1 2 384.841 2.399 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000374371473 532498946 /nfs/dbraw/zinc/49/89/46/532498946.db2.gz YPVLRXJRXYQCRX-SECBINFHSA-N 1 2 375.422 2.108 20 0 GEADLO CN(C)c1cc(Cl)cc(Cl)c1C[N@H+](CCO)CCN1CCOCC1 ZINC000685834630 532499003 /nfs/dbraw/zinc/49/90/03/532499003.db2.gz RDVASVGYLLTYOJ-UHFFFAOYSA-N 1 2 376.328 2.186 20 0 GEADLO CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+](CCO)CCN1CCOCC1 ZINC000685834630 532499007 /nfs/dbraw/zinc/49/90/07/532499007.db2.gz RDVASVGYLLTYOJ-UHFFFAOYSA-N 1 2 376.328 2.186 20 0 GEADLO CN(C)c1cc(Cl)cc(Cl)c1CN(CCO)CC[NH+]1CCOCC1 ZINC000685834630 532499016 /nfs/dbraw/zinc/49/90/16/532499016.db2.gz RDVASVGYLLTYOJ-UHFFFAOYSA-N 1 2 376.328 2.186 20 0 GEADLO CCOC(=O)CC[N@H+](C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000430512195 532499849 /nfs/dbraw/zinc/49/98/49/532499849.db2.gz SHZLYLDZWDBQKD-UHFFFAOYSA-N 1 2 378.288 2.108 20 0 GEADLO CCOC(=O)CC[N@@H+](C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000430512195 532499852 /nfs/dbraw/zinc/49/98/52/532499852.db2.gz SHZLYLDZWDBQKD-UHFFFAOYSA-N 1 2 378.288 2.108 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccoc2Br)cn1 ZINC000652014067 532501106 /nfs/dbraw/zinc/50/11/06/532501106.db2.gz MPJFXTLFEIXMJX-UHFFFAOYSA-N 1 2 378.230 2.315 20 0 GEADLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(Br)cc1F ZINC000431609231 532518778 /nfs/dbraw/zinc/51/87/78/532518778.db2.gz MJKDHJFTPVWCED-UHFFFAOYSA-N 1 2 375.219 2.470 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2nscc2Br)cn1 ZINC000652014382 532501820 /nfs/dbraw/zinc/50/18/20/532501820.db2.gz UHUMVWYYRLMJDU-UHFFFAOYSA-N 1 2 395.286 2.178 20 0 GEADLO C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246250105 532535414 /nfs/dbraw/zinc/53/54/14/532535414.db2.gz FIPMXWUPJYHXQK-MFKMUULPSA-N 1 2 377.794 2.444 20 0 GEADLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246250105 532535418 /nfs/dbraw/zinc/53/54/18/532535418.db2.gz FIPMXWUPJYHXQK-MFKMUULPSA-N 1 2 377.794 2.444 20 0 GEADLO C[C@@H](NC(=O)Cc1csc(CCC(F)(F)F)n1)[C@H](C)[NH+]1CCOCC1 ZINC000630936547 532535894 /nfs/dbraw/zinc/53/58/94/532535894.db2.gz VRGSSERWSBSTOX-NEPJUHHUSA-N 1 2 379.448 2.406 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000630948861 532536132 /nfs/dbraw/zinc/53/61/32/532536132.db2.gz NEJRIZRDJZSZPL-LJHODMEESA-N 1 2 394.357 2.479 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1ccc2cncc(Br)c2n1)[NH+]1CCOCC1 ZINC000630934185 532536354 /nfs/dbraw/zinc/53/63/54/532536354.db2.gz GSGXICUUEOTNFF-NWDGAFQWSA-N 1 2 393.285 2.231 20 0 GEADLO CNC(=O)[C@H](CC(C)C)NC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000653651867 532538840 /nfs/dbraw/zinc/53/88/40/532538840.db2.gz VZWMSCQYJCYTTE-NSHDSACASA-N 1 2 386.294 2.192 20 0 GEADLO CC(=O)Nc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)cn1 ZINC000432500841 532539393 /nfs/dbraw/zinc/53/93/93/532539393.db2.gz JZCJFBZJLDGLAZ-HNNXBMFYSA-N 1 2 395.232 2.258 20 0 GEADLO C[C@@H]1OCC[C@]12C[N@@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)CCO2 ZINC000470932109 532539420 /nfs/dbraw/zinc/53/94/20/532539420.db2.gz NSHFSSSCIWBUSH-XCRHUMRWSA-N 1 2 395.297 2.434 20 0 GEADLO C[C@@H]1OCC[C@]12C[N@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)CCO2 ZINC000470932109 532539424 /nfs/dbraw/zinc/53/94/24/532539424.db2.gz NSHFSSSCIWBUSH-XCRHUMRWSA-N 1 2 395.297 2.434 20 0 GEADLO COC[C@]1(CNC(=O)c2cc(Br)cc(Cl)c2O)CCC[NH2+]1 ZINC000564948527 532539643 /nfs/dbraw/zinc/53/96/43/532539643.db2.gz FUEVHWFHXABVPC-CQSZACIVSA-N 1 2 377.666 2.307 20 0 GEADLO C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000246496528 532539897 /nfs/dbraw/zinc/53/98/97/532539897.db2.gz ATIUUJWYWFZLNE-RDBSUJKOSA-N 1 2 385.302 2.442 20 0 GEADLO CC[C@@]1(NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCOC1 ZINC000653698564 532540652 /nfs/dbraw/zinc/54/06/52/532540652.db2.gz VWKAQFNAEJOHJJ-MRXNPFEDSA-N 1 2 399.289 2.371 20 0 GEADLO Cc1nccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)c1Br ZINC000526097078 532540968 /nfs/dbraw/zinc/54/09/68/532540968.db2.gz DIKVGHPSUWPYHD-UHFFFAOYSA-N 1 2 390.285 2.319 20 0 GEADLO CCc1ccc(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)s1 ZINC000527131098 532545508 /nfs/dbraw/zinc/54/55/08/532545508.db2.gz BFPAABNDGQFMBB-UHFFFAOYSA-N 1 2 385.477 2.261 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000564967485 532541520 /nfs/dbraw/zinc/54/15/20/532541520.db2.gz ZWORLZPUCKGWJX-LBPRGKRZSA-N 1 2 385.686 2.425 20 0 GEADLO CCOc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1Br ZINC000432622576 532541861 /nfs/dbraw/zinc/54/18/61/532541861.db2.gz YWXKJNHTVVQDRU-CYBMUJFWSA-N 1 2 385.306 2.215 20 0 GEADLO CCOc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1Br ZINC000432622576 532541864 /nfs/dbraw/zinc/54/18/64/532541864.db2.gz YWXKJNHTVVQDRU-CYBMUJFWSA-N 1 2 385.306 2.215 20 0 GEADLO OC[C@@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1ccc(Br)c(F)c1 ZINC000631141969 532543853 /nfs/dbraw/zinc/54/38/53/532543853.db2.gz IPTSNHVPOZIILQ-BDJLRTHQSA-N 1 2 399.264 2.039 20 0 GEADLO COCCc1ncc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)s1 ZINC000631125064 532544643 /nfs/dbraw/zinc/54/46/43/532544643.db2.gz XNGFRKPOEBZWNP-AWEZNQCLSA-N 1 2 384.299 2.411 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)CS(=O)(=O)c2cccc(Br)c2)c2[nH+]ccn21 ZINC000654013442 532544758 /nfs/dbraw/zinc/54/47/58/532544758.db2.gz YJUAYLZHZWZVCS-MFKMUULPSA-N 1 2 398.282 2.242 20 0 GEADLO COC(=O)c1cc(CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)cs1 ZINC000594682971 532519871 /nfs/dbraw/zinc/51/98/71/532519871.db2.gz SOMBNNUTLFKOIB-UHFFFAOYSA-N 1 2 382.385 2.409 20 0 GEADLO Cc1csc2c1C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)CC2 ZINC000374835432 532520660 /nfs/dbraw/zinc/52/06/60/532520660.db2.gz KWPPEXGJBWOYEF-UHFFFAOYSA-N 1 2 379.507 2.009 20 0 GEADLO Cc1csc2c1C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)CC2 ZINC000374835432 532520665 /nfs/dbraw/zinc/52/06/65/532520665.db2.gz KWPPEXGJBWOYEF-UHFFFAOYSA-N 1 2 379.507 2.009 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2cccc(Br)c2)CC1 ZINC000283140685 532521284 /nfs/dbraw/zinc/52/12/84/532521284.db2.gz SBCCFNLWOPSJKZ-HNNXBMFYSA-N 1 2 391.269 2.025 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(c2cccc(Br)c2)CC1 ZINC000283140685 532521290 /nfs/dbraw/zinc/52/12/90/532521290.db2.gz SBCCFNLWOPSJKZ-HNNXBMFYSA-N 1 2 391.269 2.025 20 0 GEADLO CCOC(=O)[C@H](CC(C)C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000594713044 532521693 /nfs/dbraw/zinc/52/16/93/532521693.db2.gz XZJQZLDNTDVTRQ-AWEZNQCLSA-N 1 2 386.290 2.141 20 0 GEADLO CN(C[C@@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3n2C)C1)S(C)(=O)=O ZINC000564313152 532521894 /nfs/dbraw/zinc/52/18/94/532521894.db2.gz YMXVZOKLOFTGAP-ZDUSSCGKSA-N 1 2 384.933 2.330 20 0 GEADLO CN(C[C@@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3n2C)C1)S(C)(=O)=O ZINC000564313152 532521898 /nfs/dbraw/zinc/52/18/98/532521898.db2.gz YMXVZOKLOFTGAP-ZDUSSCGKSA-N 1 2 384.933 2.330 20 0 GEADLO O=C([C@H]1CC12CCS(=O)(=O)CC2)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000374862186 532522073 /nfs/dbraw/zinc/52/20/73/532522073.db2.gz JUHRVAQGMSFGSE-ZBFHGGJFSA-N 1 2 382.913 2.028 20 0 GEADLO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(NS(C)(=O)=O)cc1 ZINC000432782195 532544958 /nfs/dbraw/zinc/54/49/58/532544958.db2.gz WFRSKQILEXVWEI-SNVBAGLBSA-N 1 2 387.303 2.405 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn([C@@H]3CCCc4ccc(Cl)cc43)nn2)C1 ZINC000630617076 532523909 /nfs/dbraw/zinc/52/39/09/532523909.db2.gz XAIYFZYKMHTOGN-WMLDXEAASA-N 1 2 380.901 2.134 20 0 GEADLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000431917189 532524289 /nfs/dbraw/zinc/52/42/89/532524289.db2.gz UMEUAPXBAXDJRW-UHFFFAOYSA-N 1 2 383.857 2.397 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@@H]1C ZINC000245862985 532525355 /nfs/dbraw/zinc/52/53/55/532525355.db2.gz CTPGPDREZZGSHW-UWVGGRQHSA-N 1 2 391.693 2.335 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@@H]1C ZINC000245862985 532525364 /nfs/dbraw/zinc/52/53/64/532525364.db2.gz CTPGPDREZZGSHW-UWVGGRQHSA-N 1 2 391.693 2.335 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCCn1cc[nH+]c1 ZINC000523887865 532526640 /nfs/dbraw/zinc/52/66/40/532526640.db2.gz HGGNMYTUCYQYKO-UHFFFAOYSA-N 1 2 394.273 2.282 20 0 GEADLO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000245918187 532527914 /nfs/dbraw/zinc/52/79/14/532527914.db2.gz WMAASZZBOJHDQE-ARFHVFGLSA-N 1 2 397.313 2.227 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)[C@@H](C)Oc2cccc(Br)c2)CCO1 ZINC000470451823 532528282 /nfs/dbraw/zinc/52/82/82/532528282.db2.gz NMFRXMKQNXKDIE-HIFRSBDPSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H](C)Oc2cccc(Br)c2)CCO1 ZINC000470451823 532528288 /nfs/dbraw/zinc/52/82/88/532528288.db2.gz NMFRXMKQNXKDIE-HIFRSBDPSA-N 1 2 385.302 2.443 20 0 GEADLO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000594794505 532530266 /nfs/dbraw/zinc/53/02/66/532530266.db2.gz MNILQARIILQMSI-UHFFFAOYSA-N 1 2 377.344 2.036 20 0 GEADLO COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000594794505 532530272 /nfs/dbraw/zinc/53/02/72/532530272.db2.gz MNILQARIILQMSI-UHFFFAOYSA-N 1 2 377.344 2.036 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246077756 532530980 /nfs/dbraw/zinc/53/09/80/532530980.db2.gz BWRHJAIHIQIGCI-UHOFOFEASA-N 1 2 376.881 2.323 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246077756 532530986 /nfs/dbraw/zinc/53/09/86/532530986.db2.gz BWRHJAIHIQIGCI-UHOFOFEASA-N 1 2 376.881 2.323 20 0 GEADLO NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)c2cscc2Cl)CC1 ZINC000630926627 532534341 /nfs/dbraw/zinc/53/43/41/532534341.db2.gz IBYIUBGCRBPQLB-UHFFFAOYSA-N 1 2 378.885 2.428 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000283347535 532534328 /nfs/dbraw/zinc/53/43/28/532534328.db2.gz IEJUVHLMGNLLPZ-INIZCTEOSA-N 1 2 381.263 2.349 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000283347535 532534334 /nfs/dbraw/zinc/53/43/34/532534334.db2.gz IEJUVHLMGNLLPZ-INIZCTEOSA-N 1 2 381.263 2.349 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000432351528 532535016 /nfs/dbraw/zinc/53/50/16/532535016.db2.gz NUIXUNOEGRPHNA-UHFFFAOYSA-N 1 2 383.857 2.413 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000565181130 532551288 /nfs/dbraw/zinc/55/12/88/532551288.db2.gz JLQQWJMLCUCLQI-LBPRGKRZSA-N 1 2 393.285 2.287 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000565181130 532551294 /nfs/dbraw/zinc/55/12/94/532551294.db2.gz JLQQWJMLCUCLQI-LBPRGKRZSA-N 1 2 393.285 2.287 20 0 GEADLO Cc1cccc(OCCNC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000432990079 532551622 /nfs/dbraw/zinc/55/16/22/532551622.db2.gz XKBMGDZMWMOOHM-CYBMUJFWSA-N 1 2 393.285 2.393 20 0 GEADLO C[C@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)[NH+]1CC(C)C1 ZINC000565181812 532552580 /nfs/dbraw/zinc/55/25/80/532552580.db2.gz OMROKSUCVYAYDL-GFCCVEGCSA-N 1 2 378.274 2.368 20 0 GEADLO C[N@H+](Cc1ccc(Br)o1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595287196 532552821 /nfs/dbraw/zinc/55/28/21/532552821.db2.gz MJBLDYSCTRCXCA-LBPRGKRZSA-N 1 2 387.274 2.417 20 0 GEADLO C[N@@H+](Cc1ccc(Br)o1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595287196 532552830 /nfs/dbraw/zinc/55/28/30/532552830.db2.gz MJBLDYSCTRCXCA-LBPRGKRZSA-N 1 2 387.274 2.417 20 0 GEADLO COC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000433008842 532552982 /nfs/dbraw/zinc/55/29/82/532552982.db2.gz QBOHJGQMADHBCM-SNVBAGLBSA-N 1 2 393.241 2.315 20 0 GEADLO C[C@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)c1ncc(Br)cn1 ZINC000433003826 532554085 /nfs/dbraw/zinc/55/40/85/532554085.db2.gz BMJJAVUPORPUOF-NSHDSACASA-N 1 2 397.248 2.224 20 0 GEADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000433130607 532554817 /nfs/dbraw/zinc/55/48/17/532554817.db2.gz AUMGYFWNZULYRX-GSCBBHAMSA-N 1 2 394.306 2.171 20 0 GEADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000433130607 532554823 /nfs/dbraw/zinc/55/48/23/532554823.db2.gz AUMGYFWNZULYRX-GSCBBHAMSA-N 1 2 394.306 2.171 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1Cl ZINC000248652731 532555114 /nfs/dbraw/zinc/55/51/14/532555114.db2.gz OBDYULJBILIBKN-MNOVXSKESA-N 1 2 397.324 2.078 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1Cl ZINC000248652731 532555120 /nfs/dbraw/zinc/55/51/20/532555120.db2.gz OBDYULJBILIBKN-MNOVXSKESA-N 1 2 397.324 2.078 20 0 GEADLO CCN1C[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1=O ZINC000565287548 532555714 /nfs/dbraw/zinc/55/57/14/532555714.db2.gz KTRZPRHXAQXGOC-WBVHZDCISA-N 1 2 394.313 2.323 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000631680464 532556028 /nfs/dbraw/zinc/55/60/28/532556028.db2.gz QSFQLVZNPVPEAC-DOTOQJQBSA-N 1 2 384.498 2.227 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000631680464 532556033 /nfs/dbraw/zinc/55/60/33/532556033.db2.gz QSFQLVZNPVPEAC-DOTOQJQBSA-N 1 2 384.498 2.227 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000631680466 532556196 /nfs/dbraw/zinc/55/61/96/532556196.db2.gz QSFQLVZNPVPEAC-NVXWUHKLSA-N 1 2 384.498 2.227 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000631680466 532556200 /nfs/dbraw/zinc/55/62/00/532556200.db2.gz QSFQLVZNPVPEAC-NVXWUHKLSA-N 1 2 384.498 2.227 20 0 GEADLO Cn1cc(Br)c(CN2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)n1 ZINC000433187301 532557648 /nfs/dbraw/zinc/55/76/48/532557648.db2.gz NSIKQUYZRBDBPN-INIZCTEOSA-N 1 2 387.322 2.078 20 0 GEADLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000375455988 532558780 /nfs/dbraw/zinc/55/87/80/532558780.db2.gz GCZFWCDKXVHRJI-LLVKDONJSA-N 1 2 380.294 2.440 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249058571 532559271 /nfs/dbraw/zinc/55/92/71/532559271.db2.gz YBJGPGQKOOHBAX-KSSFIOAISA-N 1 2 397.313 2.287 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249058571 532559274 /nfs/dbraw/zinc/55/92/74/532559274.db2.gz YBJGPGQKOOHBAX-KSSFIOAISA-N 1 2 397.313 2.287 20 0 GEADLO O=S(=O)(NCc1ccc[nH+]c1N1CCOCC1)c1cc(Cl)ccc1F ZINC000283828078 532560549 /nfs/dbraw/zinc/56/05/49/532560549.db2.gz LGORRSDPXDWRND-UHFFFAOYSA-N 1 2 385.848 2.189 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)C(C)(C)N3CCOCC3)[nH+]c12 ZINC000283852733 532562176 /nfs/dbraw/zinc/56/21/76/532562176.db2.gz VOTYPPQKQPCMMF-UHFFFAOYSA-N 1 2 395.301 2.132 20 0 GEADLO NC(=O)[C@@H]1C[N@H+](Cc2ccc(I)cc2)C[C@H]1C(F)(F)F ZINC000375502221 532562679 /nfs/dbraw/zinc/56/26/79/532562679.db2.gz JWAOKYNCRCVVEC-GHMZBOCLSA-N 1 2 398.166 2.387 20 0 GEADLO NC(=O)[C@@H]1C[N@@H+](Cc2ccc(I)cc2)C[C@H]1C(F)(F)F ZINC000375502221 532562691 /nfs/dbraw/zinc/56/26/91/532562691.db2.gz JWAOKYNCRCVVEC-GHMZBOCLSA-N 1 2 398.166 2.387 20 0 GEADLO CO[C@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1Br ZINC000654704187 532566571 /nfs/dbraw/zinc/56/65/71/532566571.db2.gz SUMBEHVGWVMCQE-HNNXBMFYSA-N 1 2 385.302 2.364 20 0 GEADLO CO[C@H](C(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1Br ZINC000654704187 532566575 /nfs/dbraw/zinc/56/65/75/532566575.db2.gz SUMBEHVGWVMCQE-HNNXBMFYSA-N 1 2 385.302 2.364 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1)C1CC1 ZINC000528504589 532567996 /nfs/dbraw/zinc/56/79/96/532567996.db2.gz PVTVXEQONMEUJY-GFCCVEGCSA-N 1 2 377.432 2.394 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1)C1CC1 ZINC000528504589 532568006 /nfs/dbraw/zinc/56/80/06/532568006.db2.gz PVTVXEQONMEUJY-GFCCVEGCSA-N 1 2 377.432 2.394 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472256003 532568325 /nfs/dbraw/zinc/56/83/25/532568325.db2.gz JHKDUMHBSLIEFU-UHFFFAOYSA-N 1 2 376.360 2.038 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000528505122 532568410 /nfs/dbraw/zinc/56/84/10/532568410.db2.gz IMZPSCXFKXBILP-UHFFFAOYSA-N 1 2 397.285 2.489 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249589181 532568757 /nfs/dbraw/zinc/56/87/57/532568757.db2.gz UXAXXUBQELHWFQ-NOZJJQNGSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249589181 532568765 /nfs/dbraw/zinc/56/87/65/532568765.db2.gz UXAXXUBQELHWFQ-NOZJJQNGSA-N 1 2 375.252 2.421 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc(C(F)F)c2F)CC1 ZINC000528510405 532569229 /nfs/dbraw/zinc/56/92/29/532569229.db2.gz UHLNEBHAZDOHFT-UHFFFAOYSA-N 1 2 378.416 2.002 20 0 GEADLO COCCOc1cc2c(cc1C[NH2+]Cc1c(Br)cnn1C)OCO2 ZINC000631209480 532547705 /nfs/dbraw/zinc/54/77/05/532547705.db2.gz OACIVCQSHIOPNB-UHFFFAOYSA-N 1 2 398.257 2.226 20 0 GEADLO C[C@H](CNC(=O)C(=O)c1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654057290 532547971 /nfs/dbraw/zinc/54/79/71/532547971.db2.gz IEHRBOLXKSLREC-UPJWGTAASA-N 1 2 383.286 2.246 20 0 GEADLO C[C@H](CNC(=O)C(=O)c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654057290 532547973 /nfs/dbraw/zinc/54/79/73/532547973.db2.gz IEHRBOLXKSLREC-UPJWGTAASA-N 1 2 383.286 2.246 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000247343948 532548149 /nfs/dbraw/zinc/54/81/49/532548149.db2.gz XSDDYARRTUULRR-XJKSGUPXSA-N 1 2 385.917 2.167 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000247343948 532548155 /nfs/dbraw/zinc/54/81/55/532548155.db2.gz XSDDYARRTUULRR-XJKSGUPXSA-N 1 2 385.917 2.167 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccnc(Br)c1)C(C)(C)CO ZINC000297349526 532582529 /nfs/dbraw/zinc/58/25/29/532582529.db2.gz GIJDBBPTXRKKTQ-LBPRGKRZSA-N 1 2 382.262 2.459 20 0 GEADLO C[C@H](C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)c1cnn(C)c1 ZINC000565935940 532585551 /nfs/dbraw/zinc/58/55/51/532585551.db2.gz PKSVAKDRNIGLKC-NSHDSACASA-N 1 2 394.273 2.156 20 0 GEADLO CC(C)(C(=O)NC[C@H]1C[NH+]2CCN1CC2)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000528881826 532586374 /nfs/dbraw/zinc/58/63/74/532586374.db2.gz ZQQHCCXWXUWFQQ-HOTGVXAUSA-N 1 2 386.323 2.169 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cncc(Br)c1)C(C)(C)CO ZINC000297564319 532595677 /nfs/dbraw/zinc/59/56/77/532595677.db2.gz HHGRXHFDJWMHHE-LBPRGKRZSA-N 1 2 382.262 2.459 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cnn4ncccc34)[nH+]c12 ZINC000434255076 532590480 /nfs/dbraw/zinc/59/04/80/532590480.db2.gz SYWMZKYIRSNTHQ-UHFFFAOYSA-N 1 2 399.252 2.420 20 0 GEADLO COc1cccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c1F ZINC000655481239 532590985 /nfs/dbraw/zinc/59/09/85/532590985.db2.gz CYOWNWTVJJLPCQ-UHFFFAOYSA-N 1 2 384.498 2.445 20 0 GEADLO CCCc1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c1 ZINC000262380040 532592114 /nfs/dbraw/zinc/59/21/14/532592114.db2.gz XSKGYNXLKQFAQT-OAHLLOKOSA-N 1 2 382.917 2.361 20 0 GEADLO O=C(Cn1cc(Br)cn1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000434376473 532593363 /nfs/dbraw/zinc/59/33/63/532593363.db2.gz DQTPHFIOHXODFK-UHFFFAOYSA-N 1 2 388.269 2.401 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc(Br)o4)o3)C2)o1 ZINC000284446413 532593861 /nfs/dbraw/zinc/59/38/61/532593861.db2.gz ZSNVAKFLCCUKNE-MRVPVSSYSA-N 1 2 396.201 2.148 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc(Br)o4)o3)C2)o1 ZINC000284446413 532593866 /nfs/dbraw/zinc/59/38/66/532593866.db2.gz ZSNVAKFLCCUKNE-MRVPVSSYSA-N 1 2 396.201 2.148 20 0 GEADLO Cc1noc(C2CN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)C2)n1 ZINC000434464343 532594382 /nfs/dbraw/zinc/59/43/82/532594382.db2.gz AXXAIVGKUNEARP-UHFFFAOYSA-N 1 2 391.229 2.097 20 0 GEADLO C[C@@H]([NH2+]Cc1ncc(Br)s1)c1cccc(S(N)(=O)=O)c1 ZINC000434471762 532594864 /nfs/dbraw/zinc/59/48/64/532594864.db2.gz VNMBWFGTZHBDEE-MRVPVSSYSA-N 1 2 376.301 2.404 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000631962693 532571485 /nfs/dbraw/zinc/57/14/85/532571485.db2.gz OKBFGIALRVAEEB-YGRLFVJLSA-N 1 2 379.309 2.231 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000631962693 532571490 /nfs/dbraw/zinc/57/14/90/532571490.db2.gz OKBFGIALRVAEEB-YGRLFVJLSA-N 1 2 379.309 2.231 20 0 GEADLO OCC1(O)CC[NH+](Cc2ccc(I)cc2Cl)CC1 ZINC000595732322 532571695 /nfs/dbraw/zinc/57/16/95/532571695.db2.gz MJSDPVWQPDHPKV-UHFFFAOYSA-N 1 2 381.641 2.264 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000297180447 532571775 /nfs/dbraw/zinc/57/17/75/532571775.db2.gz KZVVDLBJZTZSAK-UHFFFAOYSA-N 1 2 380.242 2.296 20 0 GEADLO Cc1cc(Br)cc2c(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)coc21 ZINC000472365808 532573200 /nfs/dbraw/zinc/57/32/00/532573200.db2.gz DOWJPZDTTKUIKA-CYBMUJFWSA-N 1 2 378.270 2.233 20 0 GEADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000595776880 532573852 /nfs/dbraw/zinc/57/38/52/532573852.db2.gz WKUYBQSJOHGMNJ-IUODEOHRSA-N 1 2 396.228 2.209 20 0 GEADLO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000261663441 532576569 /nfs/dbraw/zinc/57/65/69/532576569.db2.gz GKNJBCGRNAVALT-OLZOCXBDSA-N 1 2 379.507 2.358 20 0 GEADLO O=C(NCc1nc2cccc(Br)c2[nH]1)N1CC[NH+]2CCC1CC2 ZINC000565760738 532576998 /nfs/dbraw/zinc/57/69/98/532576998.db2.gz YLYYUSMKERJLKW-UHFFFAOYSA-N 1 2 378.274 2.315 20 0 GEADLO O=S(=O)(c1ccc(Br)s1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261735509 532577439 /nfs/dbraw/zinc/57/74/39/532577439.db2.gz OSLIJDAZQGLGBF-LLVKDONJSA-N 1 2 388.312 2.241 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528749054 532578555 /nfs/dbraw/zinc/57/85/55/532578555.db2.gz KHZVZJNUCCULDG-JLZZUVOBSA-N 1 2 385.302 2.089 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528749054 532578560 /nfs/dbraw/zinc/57/85/60/532578560.db2.gz KHZVZJNUCCULDG-JLZZUVOBSA-N 1 2 385.302 2.089 20 0 GEADLO CCn1nccc1CC[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000284193460 532580875 /nfs/dbraw/zinc/58/08/75/532580875.db2.gz ZBIYPXMXGKDXOT-UHFFFAOYSA-N 1 2 382.917 2.105 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cscc2Br)C1 ZINC000632146165 532581935 /nfs/dbraw/zinc/58/19/35/532581935.db2.gz WTWXTTKMQISKPD-VIFPVBQESA-N 1 2 376.301 2.422 20 0 GEADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000261985375 532582025 /nfs/dbraw/zinc/58/20/25/532582025.db2.gz JTFQZTYJPIZQLH-ZDUSSCGKSA-N 1 2 375.281 2.062 20 0 GEADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632145017 532582077 /nfs/dbraw/zinc/58/20/77/532582077.db2.gz SQTLSANSGYLUKV-UONOGXRCSA-N 1 2 375.560 2.228 20 0 GEADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632145017 532582082 /nfs/dbraw/zinc/58/20/82/532582082.db2.gz SQTLSANSGYLUKV-UONOGXRCSA-N 1 2 375.560 2.228 20 0 GEADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632145015 532582159 /nfs/dbraw/zinc/58/21/59/532582159.db2.gz SQTLSANSGYLUKV-KBPBESRZSA-N 1 2 375.560 2.228 20 0 GEADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632145015 532582161 /nfs/dbraw/zinc/58/21/61/532582161.db2.gz SQTLSANSGYLUKV-KBPBESRZSA-N 1 2 375.560 2.228 20 0 GEADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCn1cc(Br)cn1)C2 ZINC000376464474 532614861 /nfs/dbraw/zinc/61/48/61/532614861.db2.gz SGSRQHGDWUDSMA-NSHDSACASA-N 1 2 380.290 2.413 20 0 GEADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCn1cc(Br)cn1)CC2 ZINC000376464474 532614866 /nfs/dbraw/zinc/61/48/66/532614866.db2.gz SGSRQHGDWUDSMA-NSHDSACASA-N 1 2 380.290 2.413 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)CCc2ccc(Cl)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000632501566 532615421 /nfs/dbraw/zinc/61/54/21/532615421.db2.gz DBKHTZRCYPKEDT-SJORKVTESA-N 1 2 386.945 2.301 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)sc1Cl ZINC000632501100 532615891 /nfs/dbraw/zinc/61/58/91/532615891.db2.gz IVRYJRHUQLMJMB-VXGBXAGGSA-N 1 2 378.947 2.488 20 0 GEADLO CCOc1cc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc(Cl)c1O ZINC000297997083 532616786 /nfs/dbraw/zinc/61/67/86/532616786.db2.gz ZGLIQPGFPFPJHJ-UHFFFAOYSA-N 1 2 376.906 2.300 20 0 GEADLO COc1cc(S(=O)(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)ccc1Cl ZINC000632502301 532617033 /nfs/dbraw/zinc/61/70/33/532617033.db2.gz MHCYTVQFUVNUMR-CVEARBPZSA-N 1 2 388.917 2.126 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)c2cc(F)cc(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632502878 532617254 /nfs/dbraw/zinc/61/72/54/532617254.db2.gz ZKMKSWWXUIDVLQ-GJZGRUSLSA-N 1 2 376.881 2.257 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)cc1Cl ZINC000632502837 532617741 /nfs/dbraw/zinc/61/77/41/532617741.db2.gz YXDABVPYDHUKIR-JKSUJKDBSA-N 1 2 388.917 2.126 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)C[C@H]2CCCCC2(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000632503110 532617950 /nfs/dbraw/zinc/61/79/50/532617950.db2.gz VJWPZRQVNZQKCC-KFWWJZLASA-N 1 2 380.501 2.231 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000530422315 532619771 /nfs/dbraw/zinc/61/97/71/532619771.db2.gz JEUFLMSYFUKSIL-NSHDSACASA-N 1 2 384.267 2.025 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000530422315 532619774 /nfs/dbraw/zinc/61/97/74/532619774.db2.gz JEUFLMSYFUKSIL-NSHDSACASA-N 1 2 384.267 2.025 20 0 GEADLO CC[N@H+](CCc1cccc(Cl)c1Cl)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000434544123 532596626 /nfs/dbraw/zinc/59/66/26/532596626.db2.gz VQFMILRLJWBCHE-CYBMUJFWSA-N 1 2 393.336 2.161 20 0 GEADLO CC[N@@H+](CCc1cccc(Cl)c1Cl)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000434544123 532596634 /nfs/dbraw/zinc/59/66/34/532596634.db2.gz VQFMILRLJWBCHE-CYBMUJFWSA-N 1 2 393.336 2.161 20 0 GEADLO [NH3+][C@@H](C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cscn1 ZINC000566179642 532598720 /nfs/dbraw/zinc/59/87/20/532598720.db2.gz SODBXIDHCXNCIX-BXUZGUMPSA-N 1 2 381.299 2.301 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(c1nc[nH+]c3c1OCCN3)C2 ZINC000596565367 532599049 /nfs/dbraw/zinc/59/90/49/532599049.db2.gz GQWHUGSMPANTJR-UHFFFAOYSA-N 1 2 397.254 2.412 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(c1[nH+]cnc3c1OCCN3)C2 ZINC000596565367 532599054 /nfs/dbraw/zinc/59/90/54/532599054.db2.gz GQWHUGSMPANTJR-UHFFFAOYSA-N 1 2 397.254 2.412 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1Br ZINC000376187635 532600003 /nfs/dbraw/zinc/60/00/03/532600003.db2.gz MYILOKBIQVBACX-NEPJUHHUSA-N 1 2 385.306 2.231 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1c(Cl)ccc(F)c1F ZINC000376239918 532603060 /nfs/dbraw/zinc/60/30/60/532603060.db2.gz DKWOARSBVYRHRE-FZMZJTMJSA-N 1 2 394.871 2.397 20 0 GEADLO COc1c(C)[nH+]c(C2CC2)nc1NCCN(C)S(=O)(=O)c1cccs1 ZINC000656149543 532604886 /nfs/dbraw/zinc/60/48/86/532604886.db2.gz ZSVIVGHRPVCGDQ-UHFFFAOYSA-N 1 2 382.511 2.465 20 0 GEADLO CS(=O)(=O)N1CC[C@H](Nc2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000566329336 532605546 /nfs/dbraw/zinc/60/55/46/532605546.db2.gz FJPBFVKGLDEWIN-VIFPVBQESA-N 1 2 388.262 2.004 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)NCC1(S(C)(=O)=O)CCC1)c1ccsc1 ZINC000474029556 532605632 /nfs/dbraw/zinc/60/56/32/532605632.db2.gz GESMJVYQSLZEEX-HNNXBMFYSA-N 1 2 387.571 2.398 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccsc1Br)C2 ZINC000566342396 532606493 /nfs/dbraw/zinc/60/64/93/532606493.db2.gz JUPLHWAFNOBJHN-SNVBAGLBSA-N 1 2 384.299 2.295 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(O)cc(Br)c1)C(C)(C)CO ZINC000529520178 532606671 /nfs/dbraw/zinc/60/66/71/532606671.db2.gz OKOFTVXBIWRYKP-ZDUSSCGKSA-N 1 2 382.258 2.378 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@H](CO)CC1CCC1 ZINC000474139542 532607529 /nfs/dbraw/zinc/60/75/29/532607529.db2.gz QSQQNZOTQLGDNN-ZDUSSCGKSA-N 1 2 381.274 2.447 20 0 GEADLO Cc1c(Br)cccc1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000566434654 532608936 /nfs/dbraw/zinc/60/89/36/532608936.db2.gz YQYKDAJNYJRRSN-GASCZTMLSA-N 1 2 382.302 2.420 20 0 GEADLO Cc1c(Br)cccc1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000566434654 532608943 /nfs/dbraw/zinc/60/89/43/532608943.db2.gz YQYKDAJNYJRRSN-GASCZTMLSA-N 1 2 382.302 2.420 20 0 GEADLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc(C(=O)NC)cc2)n1 ZINC000656184912 532609620 /nfs/dbraw/zinc/60/96/20/532609620.db2.gz ZFTVPXQWMDXBSP-UHFFFAOYSA-N 1 2 382.511 2.145 20 0 GEADLO COCC[N@H+](C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[C@H](O)C(F)(F)F ZINC000656267074 532610919 /nfs/dbraw/zinc/61/09/19/532610919.db2.gz QDZCQACBXWEKBN-DOMZBBRYSA-N 1 2 383.432 2.065 20 0 GEADLO COCC[N@@H+](C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[C@H](O)C(F)(F)F ZINC000656267074 532610923 /nfs/dbraw/zinc/61/09/23/532610923.db2.gz QDZCQACBXWEKBN-DOMZBBRYSA-N 1 2 383.432 2.065 20 0 GEADLO CCOc1cc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)cc(Br)c1O ZINC000297926486 532612736 /nfs/dbraw/zinc/61/27/36/532612736.db2.gz UFVNEUHFGRRCES-UHFFFAOYSA-N 1 2 394.269 2.205 20 0 GEADLO CCOc1cc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)cc(Br)c1O ZINC000297926486 532612745 /nfs/dbraw/zinc/61/27/45/532612745.db2.gz UFVNEUHFGRRCES-UHFFFAOYSA-N 1 2 394.269 2.205 20 0 GEADLO C[C@H](CCS(C)(=O)=O)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000474344157 532613571 /nfs/dbraw/zinc/61/35/71/532613571.db2.gz GWZVGSYZGGFZQB-QWHCGFSZSA-N 1 2 388.559 2.320 20 0 GEADLO C[C@H](CCS(C)(=O)=O)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000474344157 532613575 /nfs/dbraw/zinc/61/35/75/532613575.db2.gz GWZVGSYZGGFZQB-QWHCGFSZSA-N 1 2 388.559 2.320 20 0 GEADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccnc1-n1cc(Br)cn1 ZINC000566660045 532622551 /nfs/dbraw/zinc/62/25/51/532622551.db2.gz OMOOPVVMCPMUCC-NSHDSACASA-N 1 2 387.241 2.040 20 0 GEADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccnc1-n1cc(Br)cn1 ZINC000566660045 532622558 /nfs/dbraw/zinc/62/25/58/532622558.db2.gz OMOOPVVMCPMUCC-NSHDSACASA-N 1 2 387.241 2.040 20 0 GEADLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ncncc3Br)CC2)no1 ZINC000376692487 532624304 /nfs/dbraw/zinc/62/43/04/532624304.db2.gz YPHAITPBSMFVLF-LBPRGKRZSA-N 1 2 381.278 2.421 20 0 GEADLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ncncc3Br)CC2)no1 ZINC000376692487 532624309 /nfs/dbraw/zinc/62/43/09/532624309.db2.gz YPHAITPBSMFVLF-LBPRGKRZSA-N 1 2 381.278 2.421 20 0 GEADLO COCCO[C@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000436039571 532625246 /nfs/dbraw/zinc/62/52/46/532625246.db2.gz ZEPKRWVOSGSCDV-AWEZNQCLSA-N 1 2 397.273 2.044 20 0 GEADLO O=C1CCc2cc(Cl)c(S(=O)(=O)N3CCOc4cc[nH+]cc43)cc2N1 ZINC000530693354 532625850 /nfs/dbraw/zinc/62/58/50/532625850.db2.gz QAOLOTSIETYGQK-UHFFFAOYSA-N 1 2 379.825 2.207 20 0 GEADLO CCOc1cc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc(Cl)c1O ZINC000298158694 532629246 /nfs/dbraw/zinc/62/92/46/532629246.db2.gz SHSOUIGIEXIMMS-ZDUSSCGKSA-N 1 2 376.906 2.300 20 0 GEADLO CCOc1cc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc(Cl)c1O ZINC000298158694 532629251 /nfs/dbraw/zinc/62/92/51/532629251.db2.gz SHSOUIGIEXIMMS-ZDUSSCGKSA-N 1 2 376.906 2.300 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000284913667 532631654 /nfs/dbraw/zinc/63/16/54/532631654.db2.gz MUBXPYCXYGXTSR-HZPDHXFCSA-N 1 2 378.519 2.428 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000298388112 532646197 /nfs/dbraw/zinc/64/61/97/532646197.db2.gz JIHVOIIFXBLBMF-UHFFFAOYSA-N 1 2 394.273 2.412 20 0 GEADLO CCO[C@H]1C[C@@H]1NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000566950969 532632678 /nfs/dbraw/zinc/63/26/78/532632678.db2.gz DIKZFJYYDZZHKM-KBPBESRZSA-N 1 2 381.274 2.424 20 0 GEADLO C[C@H](CNc1nc2c(cnn2C)c(N)[nH+]1)Oc1ccc(Br)cc1 ZINC000436408116 532633376 /nfs/dbraw/zinc/63/33/76/532633376.db2.gz VCNNCJDIVXRJEZ-SECBINFHSA-N 1 2 377.246 2.587 20 0 GEADLO C[C@H]1C[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c2[nH+]ccn21 ZINC000567229569 532646436 /nfs/dbraw/zinc/64/64/36/532646436.db2.gz HOYSXULNTUPVJT-UWVGGRQHSA-N 1 2 388.902 2.041 20 0 GEADLO Cc1ccc(NC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)C2)c(Br)c1 ZINC000567059027 532639215 /nfs/dbraw/zinc/63/92/15/532639215.db2.gz LMSILFZFPFUTMH-OAHLLOKOSA-N 1 2 396.329 2.493 20 0 GEADLO COC[C@@H]([NH2+][C@H](C)CCc1ccc(I)cc1)C(=O)OC ZINC000475191821 532639800 /nfs/dbraw/zinc/63/98/00/532639800.db2.gz FDTDBPDWFOQONQ-BXUZGUMPSA-N 1 2 391.249 2.390 20 0 GEADLO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000531911913 532641161 /nfs/dbraw/zinc/64/11/61/532641161.db2.gz KQOARERUEASPIO-HUUCEWRRSA-N 1 2 378.416 2.026 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000298332827 532641312 /nfs/dbraw/zinc/64/13/12/532641312.db2.gz FRZWKDKUHLAAAZ-UHFFFAOYSA-N 1 2 380.246 2.103 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2C)cc1S(N)(=O)=O ZINC000263838625 532643833 /nfs/dbraw/zinc/64/38/33/532643833.db2.gz HLBUAIQSYBLQPK-GFCCVEGCSA-N 1 2 379.507 2.262 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2C)cc1S(N)(=O)=O ZINC000263838625 532643850 /nfs/dbraw/zinc/64/38/50/532643850.db2.gz HLBUAIQSYBLQPK-GFCCVEGCSA-N 1 2 379.507 2.262 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)CCc1ccccc1Cl)[NH+]1CCN(C)CC1 ZINC000656916430 532645288 /nfs/dbraw/zinc/64/52/88/532645288.db2.gz CCVZGJXVTYNERA-SFHVURJKSA-N 1 2 387.977 2.074 20 0 GEADLO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ncc(I)s2)CN1 ZINC000377551721 532661019 /nfs/dbraw/zinc/66/10/19/532661019.db2.gz ZWCGVWUNJRSRKS-UWVGGRQHSA-N 1 2 391.278 2.238 20 0 GEADLO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(I)s2)CN1 ZINC000377551721 532661026 /nfs/dbraw/zinc/66/10/26/532661026.db2.gz ZWCGVWUNJRSRKS-UWVGGRQHSA-N 1 2 391.278 2.238 20 0 GEADLO C[C@H](NC(=O)c1ccccc1I)[C@H](C)[NH+]1CCOCC1 ZINC000264285514 532669255 /nfs/dbraw/zinc/66/92/55/532669255.db2.gz PQAMLKVSCKTWHM-RYUDHWBXSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)CCC(F)(F)F ZINC000533490674 532663454 /nfs/dbraw/zinc/66/34/54/532663454.db2.gz YNQCRRLQDKBFJU-NSHDSACASA-N 1 2 381.420 2.148 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)CCC(F)(F)F ZINC000533490674 532663461 /nfs/dbraw/zinc/66/34/61/532663461.db2.gz YNQCRRLQDKBFJU-NSHDSACASA-N 1 2 381.420 2.148 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000567796587 532664334 /nfs/dbraw/zinc/66/43/34/532664334.db2.gz GBJOQMAZESQYKO-ZDUSSCGKSA-N 1 2 380.432 2.091 20 0 GEADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000437896745 532665518 /nfs/dbraw/zinc/66/55/18/532665518.db2.gz PZCMNPGRYCBOSE-ZIAGYGMSSA-N 1 2 386.480 2.321 20 0 GEADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000437896745 532665521 /nfs/dbraw/zinc/66/55/21/532665521.db2.gz PZCMNPGRYCBOSE-ZIAGYGMSSA-N 1 2 386.480 2.321 20 0 GEADLO O=S(=O)(NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)c1ccsc1 ZINC000657185682 532666109 /nfs/dbraw/zinc/66/61/09/532666109.db2.gz WPQXVVVQLDQPQA-UHFFFAOYSA-N 1 2 377.535 2.381 20 0 GEADLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1OC ZINC000599572875 532666399 /nfs/dbraw/zinc/66/63/99/532666399.db2.gz IKWPAIAITVCUDW-ZDUSSCGKSA-N 1 2 384.274 2.440 20 0 GEADLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1OC ZINC000599572875 532666402 /nfs/dbraw/zinc/66/64/02/532666402.db2.gz IKWPAIAITVCUDW-ZDUSSCGKSA-N 1 2 384.274 2.440 20 0 GEADLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1OC ZINC000599573542 532666839 /nfs/dbraw/zinc/66/68/39/532666839.db2.gz RYUHUGDXONIZGL-AWEZNQCLSA-N 1 2 399.285 2.274 20 0 GEADLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1OC ZINC000599573542 532666845 /nfs/dbraw/zinc/66/68/45/532666845.db2.gz RYUHUGDXONIZGL-AWEZNQCLSA-N 1 2 399.285 2.274 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000599570070 532666906 /nfs/dbraw/zinc/66/69/06/532666906.db2.gz TUKBYAAMBQYAIJ-INIZCTEOSA-N 1 2 396.241 2.263 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000599570070 532666914 /nfs/dbraw/zinc/66/69/14/532666914.db2.gz TUKBYAAMBQYAIJ-INIZCTEOSA-N 1 2 396.241 2.263 20 0 GEADLO O=C(NCCc1ccc(I)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000598394656 532647732 /nfs/dbraw/zinc/64/77/32/532647732.db2.gz YVGZSRILZOGVCR-ZDUSSCGKSA-N 1 2 395.244 2.409 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(F)c(Cl)c3)C[C@H]21 ZINC000285101881 532648070 /nfs/dbraw/zinc/64/80/70/532648070.db2.gz HGPXSVWUYVRIHD-CHWSQXEVSA-N 1 2 390.242 2.003 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(F)c(Cl)c3)C[C@H]21 ZINC000285101881 532648078 /nfs/dbraw/zinc/64/80/78/532648078.db2.gz HGPXSVWUYVRIHD-CHWSQXEVSA-N 1 2 390.242 2.003 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000377280646 532648191 /nfs/dbraw/zinc/64/81/91/532648191.db2.gz MNNJILIJFWXNML-RYUDHWBXSA-N 1 2 386.279 2.254 20 0 GEADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@H]1CC[S@](=O)C1 ZINC000532400602 532653969 /nfs/dbraw/zinc/65/39/69/532653969.db2.gz LCKFXASSLYJZNA-VHBBZRBYSA-N 1 2 387.908 2.436 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1)S(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437250900 532654130 /nfs/dbraw/zinc/65/41/30/532654130.db2.gz ZBHSTAVXWKZTJR-LLVKDONJSA-N 1 2 375.372 2.387 20 0 GEADLO CC(C)N(C(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F)C(C)C ZINC000437250710 532654448 /nfs/dbraw/zinc/65/44/48/532654448.db2.gz XYQVCDACYSPMHN-LBPRGKRZSA-N 1 2 383.436 2.394 20 0 GEADLO CN(Cc1nnc(S(C)(=O)=O)s1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000285182348 532655857 /nfs/dbraw/zinc/65/58/57/532655857.db2.gz VPWQRFDTOVMTCX-OAHLLOKOSA-N 1 2 380.539 2.038 20 0 GEADLO CN(Cc1nnc(S(C)(=O)=O)s1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000285182348 532655864 /nfs/dbraw/zinc/65/58/64/532655864.db2.gz VPWQRFDTOVMTCX-OAHLLOKOSA-N 1 2 380.539 2.038 20 0 GEADLO CCN(C)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Br)cc1 ZINC000660012630 532669592 /nfs/dbraw/zinc/66/95/92/532669592.db2.gz GTTWARNTUJGLCI-CYBMUJFWSA-N 1 2 387.303 2.058 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633024138 532657920 /nfs/dbraw/zinc/65/79/20/532657920.db2.gz KJYNXJXUMTYBTB-GXTWGEPZSA-N 1 2 393.285 2.032 20 0 GEADLO O=S(=O)(NCc1ccccc1C[NH+]1CCOCC1)c1cncc(Cl)c1 ZINC000532854021 532658499 /nfs/dbraw/zinc/65/84/99/532658499.db2.gz RRNLBSJVZLWUQP-UHFFFAOYSA-N 1 2 381.885 2.046 20 0 GEADLO CN(C)[C@@H](C(=O)NCc1nc2ccc(Br)cc2o1)c1c[nH+]cn1C ZINC000568779614 532686090 /nfs/dbraw/zinc/68/60/90/532686090.db2.gz OFNQBLZKCDISHK-OAHLLOKOSA-N 1 2 392.257 2.243 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000377770955 532669637 /nfs/dbraw/zinc/66/96/37/532669637.db2.gz CPUYPPSWAAETRB-UHFFFAOYSA-N 1 2 377.447 2.089 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2csc(-c3cccs3)n2)CC1 ZINC000377781540 532669935 /nfs/dbraw/zinc/66/99/35/532669935.db2.gz NBVNSMKURJYNJV-UHFFFAOYSA-N 1 2 386.568 2.186 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2csc(-c3cccs3)n2)CC1 ZINC000377781540 532669943 /nfs/dbraw/zinc/66/99/43/532669943.db2.gz NBVNSMKURJYNJV-UHFFFAOYSA-N 1 2 386.568 2.186 20 0 GEADLO CSc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000264296437 532670979 /nfs/dbraw/zinc/67/09/79/532670979.db2.gz CICDWPWBTSUGII-VXGBXAGGSA-N 1 2 385.917 2.226 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@@H+]1[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000438596514 532673844 /nfs/dbraw/zinc/67/38/44/532673844.db2.gz LCZJDLUUICVRKI-KGLIPLIRSA-N 1 2 380.535 2.494 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@H+]1[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000438596514 532673854 /nfs/dbraw/zinc/67/38/54/532673854.db2.gz LCZJDLUUICVRKI-KGLIPLIRSA-N 1 2 380.535 2.494 20 0 GEADLO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377924150 532674550 /nfs/dbraw/zinc/67/45/50/532674550.db2.gz SGPNUNFOWHLQFT-QMMMGPOBSA-N 1 2 399.195 2.063 20 0 GEADLO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377924150 532674558 /nfs/dbraw/zinc/67/45/58/532674558.db2.gz SGPNUNFOWHLQFT-QMMMGPOBSA-N 1 2 399.195 2.063 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CCC[C@@](F)(CO)C1 ZINC000483277210 532675231 /nfs/dbraw/zinc/67/52/31/532675231.db2.gz QXEQNUVWAMBSKC-HNNXBMFYSA-N 1 2 385.237 2.103 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000483264484 532675682 /nfs/dbraw/zinc/67/56/82/532675682.db2.gz RETOXBFGYFAYNC-FZMZJTMJSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000483264484 532675689 /nfs/dbraw/zinc/67/56/89/532675689.db2.gz RETOXBFGYFAYNC-FZMZJTMJSA-N 1 2 376.266 2.359 20 0 GEADLO O=C(C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl)NC(=O)NCc1ccco1 ZINC000483254320 532676044 /nfs/dbraw/zinc/67/60/44/532676044.db2.gz FYMUDAXMIWZOHB-ZDUSSCGKSA-N 1 2 386.235 2.235 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(Br)c1 ZINC000377996972 532676404 /nfs/dbraw/zinc/67/64/04/532676404.db2.gz NPTXOPMCPRKXFY-SNVBAGLBSA-N 1 2 377.242 2.093 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(Br)c1 ZINC000377996972 532676410 /nfs/dbraw/zinc/67/64/10/532676410.db2.gz NPTXOPMCPRKXFY-SNVBAGLBSA-N 1 2 377.242 2.093 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000285397391 532677994 /nfs/dbraw/zinc/67/79/94/532677994.db2.gz HWHQWTQSXHQEJE-UHFFFAOYSA-N 1 2 379.295 2.349 20 0 GEADLO C[C@H]1C[C@H](NC(=O)NCCNc2cccc[nH+]2)c2ccsc2S1(=O)=O ZINC000378082701 532678508 /nfs/dbraw/zinc/67/85/08/532678508.db2.gz ACTBZNDMLKSQGB-AAEUAGOBSA-N 1 2 380.495 2.161 20 0 GEADLO O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378065678 532679098 /nfs/dbraw/zinc/67/90/98/532679098.db2.gz BMMLEDHSCRGKMI-WFASDCNBSA-N 1 2 379.258 2.062 20 0 GEADLO O=C(N[C@@H](CO)c1cccc(Br)c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378065678 532679104 /nfs/dbraw/zinc/67/91/04/532679104.db2.gz BMMLEDHSCRGKMI-WFASDCNBSA-N 1 2 379.258 2.062 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N[C@@H](CO)c2cccc(Br)c2)c(C)[nH+]1 ZINC000484551749 532680992 /nfs/dbraw/zinc/68/09/92/532680992.db2.gz KFGZTRGNSAPPPD-HNNXBMFYSA-N 1 2 392.253 2.249 20 0 GEADLO CSc1nc2ncnc(NC[C@]3([NH+]4CCOCC4)CCCOC3)c2s1 ZINC000378147524 532681186 /nfs/dbraw/zinc/68/11/86/532681186.db2.gz FZMAXFGOSWGCMH-MRXNPFEDSA-N 1 2 381.527 2.102 20 0 GEADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000568588533 532681780 /nfs/dbraw/zinc/68/17/80/532681780.db2.gz QSSMMELLVSLEDM-GOEBONIOSA-N 1 2 384.567 2.483 20 0 GEADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000568588533 532681786 /nfs/dbraw/zinc/68/17/86/532681786.db2.gz QSSMMELLVSLEDM-GOEBONIOSA-N 1 2 384.567 2.483 20 0 GEADLO Cn1c2nnc(C[N@@H+]3CCC[C@]4(CCSC4)C3)n2c2ccsc2c1=O ZINC000568592992 532682130 /nfs/dbraw/zinc/68/21/30/532682130.db2.gz RXUIGVPTQVBVRB-KRWDZBQOSA-N 1 2 375.523 2.362 20 0 GEADLO Cn1c2nnc(C[N@H+]3CCC[C@]4(CCSC4)C3)n2c2ccsc2c1=O ZINC000568592992 532682138 /nfs/dbraw/zinc/68/21/38/532682138.db2.gz RXUIGVPTQVBVRB-KRWDZBQOSA-N 1 2 375.523 2.362 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285564969 532691870 /nfs/dbraw/zinc/69/18/70/532691870.db2.gz VTWSURFHCSGIGW-GDBMZVCRSA-N 1 2 398.301 2.072 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285564969 532691879 /nfs/dbraw/zinc/69/18/79/532691879.db2.gz VTWSURFHCSGIGW-GDBMZVCRSA-N 1 2 398.301 2.072 20 0 GEADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439434677 532691989 /nfs/dbraw/zinc/69/19/89/532691989.db2.gz FCKZXMQXYQVLNX-HIFRSBDPSA-N 1 2 399.264 2.294 20 0 GEADLO Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439434677 532691994 /nfs/dbraw/zinc/69/19/94/532691994.db2.gz FCKZXMQXYQVLNX-HIFRSBDPSA-N 1 2 399.264 2.294 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000536574011 532693248 /nfs/dbraw/zinc/69/32/48/532693248.db2.gz PKSWKGFBBKPHTQ-VERVWZFWSA-N 1 2 399.365 2.115 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000536574011 532693256 /nfs/dbraw/zinc/69/32/56/532693256.db2.gz PKSWKGFBBKPHTQ-VERVWZFWSA-N 1 2 399.365 2.115 20 0 GEADLO COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000285578391 532693412 /nfs/dbraw/zinc/69/34/12/532693412.db2.gz ODIUIPTVVZDERX-HNNXBMFYSA-N 1 2 381.416 2.248 20 0 GEADLO COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000285578391 532693415 /nfs/dbraw/zinc/69/34/15/532693415.db2.gz ODIUIPTVVZDERX-HNNXBMFYSA-N 1 2 381.416 2.248 20 0 GEADLO O=C(Nc1nnc([C@H]2CCCO2)s1)N1CC[NH+](Cc2cccs2)CC1 ZINC000640740268 532695313 /nfs/dbraw/zinc/69/53/13/532695313.db2.gz QQRKXPIBMNZLFI-CYBMUJFWSA-N 1 2 379.511 2.801 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000603557241 532695366 /nfs/dbraw/zinc/69/53/66/532695366.db2.gz KYBGEZVCVYJQHP-NEPJUHHUSA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000603557241 532695371 /nfs/dbraw/zinc/69/53/71/532695371.db2.gz KYBGEZVCVYJQHP-NEPJUHHUSA-N 1 2 384.325 2.488 20 0 GEADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]2c2cccc(Br)c2)C1 ZINC000378644628 532700286 /nfs/dbraw/zinc/70/02/86/532700286.db2.gz CYQFYSFCGXLMAG-DLBZAZTESA-N 1 2 394.313 2.323 20 0 GEADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]2c2cccc(Br)c2)C1 ZINC000378644628 532700289 /nfs/dbraw/zinc/70/02/89/532700289.db2.gz CYQFYSFCGXLMAG-DLBZAZTESA-N 1 2 394.313 2.323 20 0 GEADLO CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000536962809 532700769 /nfs/dbraw/zinc/70/07/69/532700769.db2.gz FHKMRBWGQJFONG-HZPDHXFCSA-N 1 2 387.933 2.161 20 0 GEADLO CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000536962807 532700820 /nfs/dbraw/zinc/70/08/20/532700820.db2.gz FHKMRBWGQJFONG-CVEARBPZSA-N 1 2 387.933 2.161 20 0 GEADLO Cc1cc(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)ccc1F ZINC000439775712 532701177 /nfs/dbraw/zinc/70/11/77/532701177.db2.gz PATLMQLDSHJVMZ-UHFFFAOYSA-N 1 2 383.411 2.085 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000285520907 532687427 /nfs/dbraw/zinc/68/74/27/532687427.db2.gz RSKOMNJERBBAHQ-UHFFFAOYSA-N 1 2 397.285 2.489 20 0 GEADLO Cc1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)o2)c(OCC(F)(F)F)c1 ZINC000638762920 532687666 /nfs/dbraw/zinc/68/76/66/532687666.db2.gz NPWZXOLASZADIW-UHFFFAOYSA-N 1 2 378.372 2.466 20 0 GEADLO COC[C@@H]1C[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000439280049 532687863 /nfs/dbraw/zinc/68/78/63/532687863.db2.gz CQYBFRWMCYNCJG-JSGCOSHPSA-N 1 2 375.296 2.388 20 0 GEADLO COC[C@@H]1C[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000439280049 532687867 /nfs/dbraw/zinc/68/78/67/532687867.db2.gz CQYBFRWMCYNCJG-JSGCOSHPSA-N 1 2 375.296 2.388 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000569010382 532688117 /nfs/dbraw/zinc/68/81/17/532688117.db2.gz JPISFEZRDHRXAY-MRVPVSSYSA-N 1 2 385.287 2.404 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000265212370 532688517 /nfs/dbraw/zinc/68/85/17/532688517.db2.gz LXRRYVJTUQINDR-CQSZACIVSA-N 1 2 381.523 2.223 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000265212370 532688523 /nfs/dbraw/zinc/68/85/23/532688523.db2.gz LXRRYVJTUQINDR-CQSZACIVSA-N 1 2 381.523 2.223 20 0 GEADLO OC[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc(Br)c(F)c1 ZINC000488735250 532702794 /nfs/dbraw/zinc/70/27/94/532702794.db2.gz SIASASBTASHMNW-CQSZACIVSA-N 1 2 397.248 2.360 20 0 GEADLO OC[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc(Br)c(F)c1 ZINC000488735250 532702799 /nfs/dbraw/zinc/70/27/99/532702799.db2.gz SIASASBTASHMNW-CQSZACIVSA-N 1 2 397.248 2.360 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000569137273 532689495 /nfs/dbraw/zinc/68/94/95/532689495.db2.gz FYRFDSHFJKAQJV-ABAIWWIYSA-N 1 2 391.269 2.273 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000569137273 532689502 /nfs/dbraw/zinc/68/95/02/532689502.db2.gz FYRFDSHFJKAQJV-ABAIWWIYSA-N 1 2 391.269 2.273 20 0 GEADLO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000486584472 532690869 /nfs/dbraw/zinc/69/08/69/532690869.db2.gz VLABUBQLNIZYRG-FZMZJTMJSA-N 1 2 380.495 2.080 20 0 GEADLO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000486584472 532690874 /nfs/dbraw/zinc/69/08/74/532690874.db2.gz VLABUBQLNIZYRG-FZMZJTMJSA-N 1 2 380.495 2.080 20 0 GEADLO NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2cncc(Br)c2)CC1 ZINC000266127151 532703594 /nfs/dbraw/zinc/70/35/94/532703594.db2.gz BSFOFJPKQBORHS-INIZCTEOSA-N 1 2 375.270 2.193 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)s1 ZINC000569687824 532703872 /nfs/dbraw/zinc/70/38/72/532703872.db2.gz UOCLERYQXFLHKJ-OAHLLOKOSA-N 1 2 381.523 2.185 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)s1 ZINC000569687824 532703877 /nfs/dbraw/zinc/70/38/77/532703877.db2.gz UOCLERYQXFLHKJ-OAHLLOKOSA-N 1 2 381.523 2.185 20 0 GEADLO Cc1c(Br)ccnc1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000569694934 532704062 /nfs/dbraw/zinc/70/40/62/532704062.db2.gz STQXZCUZZPFVND-RISCZKNCSA-N 1 2 383.290 2.337 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000285777917 532705965 /nfs/dbraw/zinc/70/59/65/532705965.db2.gz YOBDLUCXSXTDGT-AWEZNQCLSA-N 1 2 384.889 2.246 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000285777917 532705968 /nfs/dbraw/zinc/70/59/68/532705968.db2.gz YOBDLUCXSXTDGT-AWEZNQCLSA-N 1 2 384.889 2.246 20 0 GEADLO CC[N@@H+](Cc1cc(Br)ccc1F)Cc1cc(=O)n(C)c(=O)n1C ZINC000299345475 532712397 /nfs/dbraw/zinc/71/23/97/532712397.db2.gz FPTWLEKBKLWGGW-UHFFFAOYSA-N 1 2 384.249 2.008 20 0 GEADLO CC[N@H+](Cc1cc(Br)ccc1F)Cc1cc(=O)n(C)c(=O)n1C ZINC000299345475 532712405 /nfs/dbraw/zinc/71/24/05/532712405.db2.gz FPTWLEKBKLWGGW-UHFFFAOYSA-N 1 2 384.249 2.008 20 0 GEADLO CC(C)[NH+]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)CC1 ZINC000408240858 532713309 /nfs/dbraw/zinc/71/33/09/532713309.db2.gz GJMLMMGBGCEOFH-UHFFFAOYSA-N 1 2 398.248 2.334 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCCc2ccc(Br)s2)CCO1 ZINC000494192559 532714170 /nfs/dbraw/zinc/71/41/70/532714170.db2.gz RSEXPFLXWLPYLP-LBPRGKRZSA-N 1 2 390.347 2.463 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCCc2ccc(Br)s2)CCO1 ZINC000494192559 532714175 /nfs/dbraw/zinc/71/41/75/532714175.db2.gz RSEXPFLXWLPYLP-LBPRGKRZSA-N 1 2 390.347 2.463 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(Br)c(C)cc1OC ZINC000285867781 532714728 /nfs/dbraw/zinc/71/47/28/532714728.db2.gz VNUUVOVEHLCTLC-ZDUSSCGKSA-N 1 2 396.241 2.003 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(Br)c(C)cc1OC ZINC000285867781 532714736 /nfs/dbraw/zinc/71/47/36/532714736.db2.gz VNUUVOVEHLCTLC-ZDUSSCGKSA-N 1 2 396.241 2.003 20 0 GEADLO C[NH+](C)Cc1nc(C2(NS(=O)(=O)CCCC(F)(F)F)CCCC2)no1 ZINC000538679281 532714745 /nfs/dbraw/zinc/71/47/45/532714745.db2.gz MVUZBWBLSZQZPS-UHFFFAOYSA-N 1 2 384.424 2.162 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000409508059 532722539 /nfs/dbraw/zinc/72/25/39/532722539.db2.gz KZSWETZTEGYWOK-NWDGAFQWSA-N 1 2 391.331 2.312 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000409508059 532722547 /nfs/dbraw/zinc/72/25/47/532722547.db2.gz KZSWETZTEGYWOK-NWDGAFQWSA-N 1 2 391.331 2.312 20 0 GEADLO CCC(=O)N1CCC[C@H](C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000497400067 532723001 /nfs/dbraw/zinc/72/30/01/532723001.db2.gz QVXHWVTXSKRCDA-LBPRGKRZSA-N 1 2 393.285 2.362 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000285975347 532723159 /nfs/dbraw/zinc/72/31/59/532723159.db2.gz WVXWLOWHONYKKP-DGCLKSJQSA-N 1 2 397.269 2.113 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000613010739 532723852 /nfs/dbraw/zinc/72/38/52/532723852.db2.gz YUOIWCKSPRRIDD-SECBINFHSA-N 1 2 390.241 2.394 20 0 GEADLO OCCCc1cn(-c2ncnc3cccc(I)c32)c[nH+]1 ZINC000613045407 532724926 /nfs/dbraw/zinc/72/49/26/532724926.db2.gz RJVCPEBCQGDAAL-UHFFFAOYSA-N 1 2 380.189 2.345 20 0 GEADLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2nc3ccccc3s2)C1 ZINC000576154895 532725301 /nfs/dbraw/zinc/72/53/01/532725301.db2.gz PXAREVDZRGDJQP-CQSZACIVSA-N 1 2 381.523 2.028 20 0 GEADLO C[N@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2nc3ccccc3s2)C1 ZINC000576154895 532725309 /nfs/dbraw/zinc/72/53/09/532725309.db2.gz PXAREVDZRGDJQP-CQSZACIVSA-N 1 2 381.523 2.028 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000409587067 532725724 /nfs/dbraw/zinc/72/57/24/532725724.db2.gz NKUMZDPRLJBWAS-NSHDSACASA-N 1 2 388.287 2.162 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000299553350 532726260 /nfs/dbraw/zinc/72/62/60/532726260.db2.gz ZMGMIFWPBAYHLG-LBPRGKRZSA-N 1 2 399.264 2.377 20 0 GEADLO COCc1ccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000539231689 532727083 /nfs/dbraw/zinc/72/70/83/532727083.db2.gz VEKBFQGUATVYLE-UHFFFAOYSA-N 1 2 380.535 2.444 20 0 GEADLO Cc1nnc(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)s1 ZINC000613153543 532728079 /nfs/dbraw/zinc/72/80/79/532728079.db2.gz DIOZYCZKXQOKLM-RHSMWYFYSA-N 1 2 380.901 2.231 20 0 GEADLO Cc1nnc(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)s1 ZINC000613153543 532728083 /nfs/dbraw/zinc/72/80/83/532728083.db2.gz DIOZYCZKXQOKLM-RHSMWYFYSA-N 1 2 380.901 2.231 20 0 GEADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CSc2nncs2)CC1 ZINC000613183066 532729336 /nfs/dbraw/zinc/72/93/36/532729336.db2.gz IJRZEOWAHCBUIN-UHFFFAOYSA-N 1 2 378.523 2.292 20 0 GEADLO O=C(Nc1cccc(Cl)c1Cl)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785534 532731179 /nfs/dbraw/zinc/73/11/79/532731179.db2.gz SNCWWLIQGJMTRR-GFCCVEGCSA-N 1 2 386.279 2.255 20 0 GEADLO O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785171 532731246 /nfs/dbraw/zinc/73/12/46/532731246.db2.gz ORUCAPBVWWRYKR-CYBMUJFWSA-N 1 2 386.279 2.255 20 0 GEADLO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C[C@@H](C)S1 ZINC000577080537 532732137 /nfs/dbraw/zinc/73/21/37/532732137.db2.gz KVLHOIAQIBJCEG-IOASZLSFSA-N 1 2 383.945 2.411 20 0 GEADLO NS(=O)(=O)c1cnc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)s1 ZINC000301154651 532742321 /nfs/dbraw/zinc/74/23/21/532742321.db2.gz QZVLRQNHIOUYFC-UHFFFAOYSA-N 1 2 388.465 2.145 20 0 GEADLO Cn1cc[nH+]c1CN1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000301171423 532742971 /nfs/dbraw/zinc/74/29/71/532742971.db2.gz KDQITXSUUSDPJV-UHFFFAOYSA-N 1 2 387.285 2.448 20 0 GEADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cncc(Br)c2)CC1 ZINC000301193630 532743192 /nfs/dbraw/zinc/74/31/92/532743192.db2.gz JEEWIGBQLKFSHH-CQSZACIVSA-N 1 2 381.318 2.367 20 0 GEADLO O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676388566 532744001 /nfs/dbraw/zinc/74/40/01/532744001.db2.gz OHZZXJCKQVTODL-MRXNPFEDSA-N 1 2 393.281 2.158 20 0 GEADLO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000676410875 532744077 /nfs/dbraw/zinc/74/40/77/532744077.db2.gz HMVFXDIZXBHYOF-QWHCGFSZSA-N 1 2 376.316 2.425 20 0 GEADLO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCc2sc(Br)cc2C1 ZINC000676410875 532744082 /nfs/dbraw/zinc/74/40/82/532744082.db2.gz HMVFXDIZXBHYOF-QWHCGFSZSA-N 1 2 376.316 2.425 20 0 GEADLO O=C(CNc1ccccc1Cl)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615098223 532746129 /nfs/dbraw/zinc/74/61/29/532746129.db2.gz MZZZPJOSCRCYIJ-HNNXBMFYSA-N 1 2 383.945 2.418 20 0 GEADLO CC[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000267610507 532747092 /nfs/dbraw/zinc/74/70/92/532747092.db2.gz OAOQOQOAYKRWFY-STQMWFEESA-N 1 2 375.922 2.187 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)c1ccsc1 ZINC000674032524 532735606 /nfs/dbraw/zinc/73/56/06/532735606.db2.gz NXRNBLOPTBOQAA-AWEZNQCLSA-N 1 2 375.560 2.253 20 0 GEADLO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000540345653 532737086 /nfs/dbraw/zinc/73/70/86/532737086.db2.gz BNGIROUQAYLYEH-UHFFFAOYSA-N 1 2 380.246 2.124 20 0 GEADLO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000540349899 532738157 /nfs/dbraw/zinc/73/81/57/532738157.db2.gz NCYJQCQXGFONLD-UHFFFAOYSA-N 1 2 380.246 2.124 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@H+](Cc2cnc(C3CCC3)s2)C1)N1CCOCC1 ZINC000540924870 532747920 /nfs/dbraw/zinc/74/79/20/532747920.db2.gz HGRHSTLBMLHHDK-MRXNPFEDSA-N 1 2 385.555 2.037 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)C1)N1CCOCC1 ZINC000540924870 532747923 /nfs/dbraw/zinc/74/79/23/532747923.db2.gz HGRHSTLBMLHHDK-MRXNPFEDSA-N 1 2 385.555 2.037 20 0 GEADLO CCn1cnc2c(c1=O)CC[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)C2 ZINC000286317182 532739730 /nfs/dbraw/zinc/73/97/30/532739730.db2.gz WJDFQLGOZRPPLN-INIZCTEOSA-N 1 2 396.260 2.257 20 0 GEADLO CCn1cnc2c(c1=O)CC[N@@H+](C[C@H](O)c1ccc(F)c(Br)c1)C2 ZINC000286317182 532739737 /nfs/dbraw/zinc/73/97/37/532739737.db2.gz WJDFQLGOZRPPLN-INIZCTEOSA-N 1 2 396.260 2.257 20 0 GEADLO NC(=O)[C@H]([NH2+]CCOc1ncccc1F)c1ccc(Br)cc1F ZINC000446963158 532756439 /nfs/dbraw/zinc/75/64/39/532756439.db2.gz UYLNITKVJCBRQE-CYBMUJFWSA-N 1 2 386.196 2.317 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000286577027 532756432 /nfs/dbraw/zinc/75/64/32/532756432.db2.gz PZOOVXTWBIFMSB-XHDPSFHLSA-N 1 2 378.416 2.223 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000286577027 532756438 /nfs/dbraw/zinc/75/64/38/532756438.db2.gz PZOOVXTWBIFMSB-XHDPSFHLSA-N 1 2 378.416 2.223 20 0 GEADLO COc1sc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1Br ZINC000507152275 532756929 /nfs/dbraw/zinc/75/69/29/532756929.db2.gz RCHRYUBFKFFCOA-JTQLQIEISA-N 1 2 397.360 2.423 20 0 GEADLO COc1sc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1Br ZINC000507152275 532756931 /nfs/dbraw/zinc/75/69/31/532756931.db2.gz RCHRYUBFKFFCOA-JTQLQIEISA-N 1 2 397.360 2.423 20 0 GEADLO Cc1csc(NC(=O)CS(=O)(=O)Cc2cn3cc(Cl)ccc3[nH+]2)n1 ZINC000507695918 532758155 /nfs/dbraw/zinc/75/81/55/532758155.db2.gz XWVSLTLNKYTZRA-UHFFFAOYSA-N 1 2 384.870 2.306 20 0 GEADLO Cc1cc(NC(=O)CS(=O)(=O)Cc2c[nH+]cn2C)ccc1Br ZINC000268233045 532758480 /nfs/dbraw/zinc/75/84/80/532758480.db2.gz VPKANRWYVSHUJX-UHFFFAOYSA-N 1 2 386.271 2.045 20 0 GEADLO COCCOC[C@H](C)NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000541841806 532759531 /nfs/dbraw/zinc/75/95/31/532759531.db2.gz DRVXQYIXWAXOOX-LBPRGKRZSA-N 1 2 399.289 2.256 20 0 GEADLO Cc1ccc(-c2nc(NC(=O)C(=O)NCc3[nH+]ccn3C)sc2C)s1 ZINC000582608470 532760248 /nfs/dbraw/zinc/76/02/48/532760248.db2.gz IIANPNOHDHFNPA-UHFFFAOYSA-N 1 2 375.479 2.477 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c(Br)c1 ZINC000451042192 532761102 /nfs/dbraw/zinc/76/11/02/532761102.db2.gz VLINZHKAFXGERW-LBPRGKRZSA-N 1 2 395.257 2.439 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c(Br)c1 ZINC000451042192 532761105 /nfs/dbraw/zinc/76/11/05/532761105.db2.gz VLINZHKAFXGERW-LBPRGKRZSA-N 1 2 395.257 2.439 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000451037451 532761292 /nfs/dbraw/zinc/76/12/92/532761292.db2.gz PFPPFOMDLOJMRZ-UHFFFAOYSA-N 1 2 376.507 2.358 20 0 GEADLO O=S(=O)([C@H]1CCC[N@H+](Cc2cnc(C3CCC3)s2)C1)N1CCOCC1 ZINC000540924869 532748223 /nfs/dbraw/zinc/74/82/23/532748223.db2.gz HGRHSTLBMLHHDK-INIZCTEOSA-N 1 2 385.555 2.037 20 0 GEADLO O=S(=O)([C@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)C1)N1CCOCC1 ZINC000540924869 532748227 /nfs/dbraw/zinc/74/82/27/532748227.db2.gz HGRHSTLBMLHHDK-INIZCTEOSA-N 1 2 385.555 2.037 20 0 GEADLO CC(=O)NC[C@@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CCO1 ZINC000443518194 532748613 /nfs/dbraw/zinc/74/86/13/532748613.db2.gz LDAZYDPMPRUTLC-LLVKDONJSA-N 1 2 382.233 2.478 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000286475472 532750144 /nfs/dbraw/zinc/75/01/44/532750144.db2.gz LBRFTJXNLYVAJO-OAHLLOKOSA-N 1 2 376.400 2.060 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000286475472 532750148 /nfs/dbraw/zinc/75/01/48/532750148.db2.gz LBRFTJXNLYVAJO-OAHLLOKOSA-N 1 2 376.400 2.060 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC[C@H](C)C(C)C)[nH+]c12 ZINC000505863049 532750740 /nfs/dbraw/zinc/75/07/40/532750740.db2.gz RSQFBPSCKXXPTB-LBPRGKRZSA-N 1 2 395.301 2.430 20 0 GEADLO O[C@@H](CN1CC2(CCC2)c2cc(Br)ccc21)C[NH+]1CCOCC1 ZINC000444738641 532750870 /nfs/dbraw/zinc/75/08/70/532750870.db2.gz ZAQAAAYYHJCQAR-OAHLLOKOSA-N 1 2 381.314 2.384 20 0 GEADLO CC(C)[C@H](C)CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000505891211 532751267 /nfs/dbraw/zinc/75/12/67/532751267.db2.gz WXZZRBHDKNTUPE-LLVKDONJSA-N 1 2 381.274 2.121 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(c2cc(Br)cnc2Br)CC1 ZINC000286500153 532751870 /nfs/dbraw/zinc/75/18/70/532751870.db2.gz AKDFYLWEMYFARR-SECBINFHSA-N 1 2 379.096 2.109 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc2cc(Br)c(F)cc2n1 ZINC000301549377 532753201 /nfs/dbraw/zinc/75/32/01/532753201.db2.gz FNNMTYFGTPTXBV-ZDUSSCGKSA-N 1 2 398.276 2.266 20 0 GEADLO Cc1cc(NC(=O)CNc2nc3c(cnn3C)c(N)[nH+]2)ccc1Br ZINC000302888859 532775018 /nfs/dbraw/zinc/77/50/18/532775018.db2.gz OSLRJDWHTRHGSA-UHFFFAOYSA-N 1 2 390.245 2.067 20 0 GEADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000452619918 532775395 /nfs/dbraw/zinc/77/53/95/532775395.db2.gz YGVYYYINPTYJJT-PLNGDYQASA-N 1 2 382.302 2.035 20 0 GEADLO Nc1[nH+]cnc(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c1Cl ZINC000302895879 532775417 /nfs/dbraw/zinc/77/54/17/532775417.db2.gz OVXDXJQJHUSHQY-UHFFFAOYSA-N 1 2 381.889 2.225 20 0 GEADLO Nc1nc[nH+]c(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c1Cl ZINC000302895879 532775419 /nfs/dbraw/zinc/77/54/19/532775419.db2.gz OVXDXJQJHUSHQY-UHFFFAOYSA-N 1 2 381.889 2.225 20 0 GEADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000452619918 532775397 /nfs/dbraw/zinc/77/53/97/532775397.db2.gz YGVYYYINPTYJJT-PLNGDYQASA-N 1 2 382.302 2.035 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000455291766 532779615 /nfs/dbraw/zinc/77/96/15/532779615.db2.gz IRVXUVWQFOAKCP-UHFFFAOYSA-N 1 2 394.273 2.412 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2cccc(Br)c2)C1=O ZINC000542154089 532765670 /nfs/dbraw/zinc/76/56/70/532765670.db2.gz PLXCCYSTUAQQMV-AWEZNQCLSA-N 1 2 391.269 2.104 20 0 GEADLO COC(=O)[C@@H]1CC[C@H](C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000411568838 532767761 /nfs/dbraw/zinc/76/77/61/532767761.db2.gz MJCUIDAGASAMNR-WDEREUQCSA-N 1 2 380.242 2.302 20 0 GEADLO CCc1cc(Br)ccc1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000411591888 532768165 /nfs/dbraw/zinc/76/81/65/532768165.db2.gz BAXUGHXWTZENDG-UHFFFAOYSA-N 1 2 379.258 2.042 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCCCS1(=O)=O)c1ccsc1 ZINC000542254952 532768549 /nfs/dbraw/zinc/76/85/49/532768549.db2.gz TXZFXKFCIXKMSR-JKSUJKDBSA-N 1 2 387.571 2.398 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000286791158 532769429 /nfs/dbraw/zinc/76/94/29/532769429.db2.gz VSFHPXALBHMNHH-UHFFFAOYSA-N 1 2 397.298 2.052 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000584571069 532770188 /nfs/dbraw/zinc/77/01/88/532770188.db2.gz HIJUCGRZNCQHHL-MRXNPFEDSA-N 1 2 376.507 2.437 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000584571068 532770342 /nfs/dbraw/zinc/77/03/42/532770342.db2.gz HIJUCGRZNCQHHL-INIZCTEOSA-N 1 2 376.507 2.437 20 0 GEADLO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000268828292 532772033 /nfs/dbraw/zinc/77/20/33/532772033.db2.gz ZSKIMCILPIAYTI-SNVBAGLBSA-N 1 2 385.467 2.182 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)COC[C@@H]3CCCO3)[nH+]c12 ZINC000544711849 532782996 /nfs/dbraw/zinc/78/29/96/532782996.db2.gz RTENURORVHZXHQ-HNNXBMFYSA-N 1 2 396.285 2.260 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)Cc1cccc(Br)c1C ZINC000456738288 532783841 /nfs/dbraw/zinc/78/38/41/532783841.db2.gz YEJOAENRFFLHDO-CYBMUJFWSA-N 1 2 380.286 2.299 20 0 GEADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@H](CO)Cc1cccc(Br)c1C ZINC000456738288 532783843 /nfs/dbraw/zinc/78/38/43/532783843.db2.gz YEJOAENRFFLHDO-CYBMUJFWSA-N 1 2 380.286 2.299 20 0 GEADLO Cc1cc(Br)ccc1SCC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457088508 532785416 /nfs/dbraw/zinc/78/54/16/532785416.db2.gz KOOICMVOJVIADX-CYBMUJFWSA-N 1 2 387.343 2.375 20 0 GEADLO Cc1cc(Br)ccc1SCC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457088508 532785419 /nfs/dbraw/zinc/78/54/19/532785419.db2.gz KOOICMVOJVIADX-CYBMUJFWSA-N 1 2 387.343 2.375 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)c3cccn(C)c3=O)[nH+]c12 ZINC000546820887 532786285 /nfs/dbraw/zinc/78/62/85/532786285.db2.gz NZRHANZGQKXRJR-UHFFFAOYSA-N 1 2 375.226 2.034 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2sc(C(F)(F)F)nc2C)C1 ZINC000412355898 532788912 /nfs/dbraw/zinc/78/89/12/532788912.db2.gz LZSZCAYMCMWJOS-SNVBAGLBSA-N 1 2 379.404 2.085 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2sc(C(F)(F)F)nc2C)C1 ZINC000412355898 532788913 /nfs/dbraw/zinc/78/89/13/532788913.db2.gz LZSZCAYMCMWJOS-SNVBAGLBSA-N 1 2 379.404 2.085 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2sc(C)cc2Br)C1 ZINC000412363420 532789201 /nfs/dbraw/zinc/78/92/01/532789201.db2.gz WCWBSUYFPXBIIE-NSHDSACASA-N 1 2 389.315 2.434 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2sc(C)cc2Br)C1 ZINC000412363420 532789207 /nfs/dbraw/zinc/78/92/07/532789207.db2.gz WCWBSUYFPXBIIE-NSHDSACASA-N 1 2 389.315 2.434 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)c(C)c2)C1 ZINC000412355089 532789265 /nfs/dbraw/zinc/78/92/65/532789265.db2.gz APKIDIAXRXTTJH-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Br)c(C)c2)C1 ZINC000412355089 532789270 /nfs/dbraw/zinc/78/92/70/532789270.db2.gz APKIDIAXRXTTJH-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cccc(F)c2Br)CC1 ZINC000412436666 532792275 /nfs/dbraw/zinc/79/22/75/532792275.db2.gz COTQTPSBSMYVBT-UHFFFAOYSA-N 1 2 389.265 2.007 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000412434435 532792482 /nfs/dbraw/zinc/79/24/82/532792482.db2.gz HMTFPKOGSGVTMJ-UHFFFAOYSA-N 1 2 391.295 2.178 20 0 GEADLO COCCO[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000548683806 532793305 /nfs/dbraw/zinc/79/33/05/532793305.db2.gz CFFMZMGUNKRJRO-FZMZJTMJSA-N 1 2 387.263 2.363 20 0 GEADLO COCCO[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000548683806 532793306 /nfs/dbraw/zinc/79/33/06/532793306.db2.gz CFFMZMGUNKRJRO-FZMZJTMJSA-N 1 2 387.263 2.363 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000287401660 532793773 /nfs/dbraw/zinc/79/37/73/532793773.db2.gz KQVWIKOJIPMFNN-MNOVXSKESA-N 1 2 378.420 2.167 20 0 GEADLO O=C([C@@H]1CC12CCS(=O)(=O)CC2)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000328664263 532794593 /nfs/dbraw/zinc/79/45/93/532794593.db2.gz BRJJSZOVFJOOHV-HOTGVXAUSA-N 1 2 382.913 2.028 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000412553617 532794716 /nfs/dbraw/zinc/79/47/16/532794716.db2.gz ONSWCPFAYORRAE-UHFFFAOYSA-N 1 2 389.265 2.007 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)C1 ZINC000412607240 532796923 /nfs/dbraw/zinc/79/69/23/532796923.db2.gz YOVXTAQPAIOJCN-ZDUSSCGKSA-N 1 2 382.873 2.430 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)C1 ZINC000412607240 532796924 /nfs/dbraw/zinc/79/69/24/532796924.db2.gz YOVXTAQPAIOJCN-ZDUSSCGKSA-N 1 2 382.873 2.430 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000412544570 532795148 /nfs/dbraw/zinc/79/51/48/532795148.db2.gz CEZLUKDNGYDZQJ-UHFFFAOYSA-N 1 2 389.265 2.007 20 0 GEADLO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000514191717 532780481 /nfs/dbraw/zinc/78/04/81/532780481.db2.gz APYYWYVEKCBGGY-IXDOHACOSA-N 1 2 395.297 2.212 20 0 GEADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 ZINC000271223494 532805247 /nfs/dbraw/zinc/80/52/47/532805247.db2.gz PUYMNQUCHLHUGA-UHFFFAOYSA-N 1 2 387.458 2.198 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000329356197 532806101 /nfs/dbraw/zinc/80/61/01/532806101.db2.gz GWOUNLYKQVYWPZ-XFBWCDHKSA-N 1 2 375.897 2.401 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000329356197 532806102 /nfs/dbraw/zinc/80/61/02/532806102.db2.gz GWOUNLYKQVYWPZ-XFBWCDHKSA-N 1 2 375.897 2.401 20 0 GEADLO C[C@H](CNC(=O)NCCC(C)(C)S(C)(=O)=O)[N@@H+]1CCc2sccc2C1 ZINC000413130903 532806182 /nfs/dbraw/zinc/80/61/82/532806182.db2.gz NODKQAWFRLGZEE-CYBMUJFWSA-N 1 2 387.571 2.007 20 0 GEADLO C[C@H](CNC(=O)NCCC(C)(C)S(C)(=O)=O)[N@H+]1CCc2sccc2C1 ZINC000413130903 532806186 /nfs/dbraw/zinc/80/61/86/532806186.db2.gz NODKQAWFRLGZEE-CYBMUJFWSA-N 1 2 387.571 2.007 20 0 GEADLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)N2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329481855 532807195 /nfs/dbraw/zinc/80/71/95/532807195.db2.gz VZTFVVUUZYWPIK-ZBFHGGJFSA-N 1 2 377.432 2.169 20 0 GEADLO CC[N@H+]1CC[C@@H](NS(=O)(=O)N2CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329481855 532807196 /nfs/dbraw/zinc/80/71/96/532807196.db2.gz VZTFVVUUZYWPIK-ZBFHGGJFSA-N 1 2 377.432 2.169 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)NCc2cccc(Br)c2Cl)C1 ZINC000413258804 532808954 /nfs/dbraw/zinc/80/89/54/532808954.db2.gz CSMQCYXNYFVAPK-GFCCVEGCSA-N 1 2 389.725 2.148 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2cccc(Br)c2Cl)C1 ZINC000413258804 532808957 /nfs/dbraw/zinc/80/89/57/532808957.db2.gz CSMQCYXNYFVAPK-GFCCVEGCSA-N 1 2 389.725 2.148 20 0 GEADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCCc2cccs2)CC1 ZINC000555721527 532809365 /nfs/dbraw/zinc/80/93/65/532809365.db2.gz AVKJXCOAHAMOOU-AWEZNQCLSA-N 1 2 377.535 2.374 20 0 GEADLO Cc1ccc(-c2csc(NC(=O)C(=O)N3CC[NH+](C4CC4)CC3)n2)s1 ZINC000287833819 532810939 /nfs/dbraw/zinc/81/09/39/532810939.db2.gz DBTYATVSRHXWAF-UHFFFAOYSA-N 1 2 376.507 2.425 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000270371731 532797259 /nfs/dbraw/zinc/79/72/59/532797259.db2.gz DCUGQVXOLJBEJR-MRXNPFEDSA-N 1 2 384.929 2.171 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000328866639 532799159 /nfs/dbraw/zinc/79/91/59/532799159.db2.gz ZVCCVHAVNAKAAP-CQSZACIVSA-N 1 2 383.905 2.212 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000328866638 532799688 /nfs/dbraw/zinc/79/96/88/532799688.db2.gz ZVCCVHAVNAKAAP-AWEZNQCLSA-N 1 2 383.905 2.212 20 0 GEADLO CCC[N@H+](Cc1ccc(C(=O)OC)cc1Br)[C@H]1CC(=O)N(C)C1=O ZINC000551578282 532800751 /nfs/dbraw/zinc/80/07/51/532800751.db2.gz BIVWAWMYRBWNNN-AWEZNQCLSA-N 1 2 397.269 2.205 20 0 GEADLO CCC[N@@H+](Cc1ccc(C(=O)OC)cc1Br)[C@H]1CC(=O)N(C)C1=O ZINC000551578282 532800753 /nfs/dbraw/zinc/80/07/53/532800753.db2.gz BIVWAWMYRBWNNN-AWEZNQCLSA-N 1 2 397.269 2.205 20 0 GEADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000329001883 532800931 /nfs/dbraw/zinc/80/09/31/532800931.db2.gz WCNPBZXVXFENBX-GFCCVEGCSA-N 1 2 378.274 2.268 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000271184827 532804504 /nfs/dbraw/zinc/80/45/04/532804504.db2.gz MJYSWOSVJKEFIG-UHFFFAOYSA-N 1 2 394.313 2.106 20 0 GEADLO CC(C)(C(N)=O)N1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000271184827 532804507 /nfs/dbraw/zinc/80/45/07/532804507.db2.gz MJYSWOSVJKEFIG-UHFFFAOYSA-N 1 2 394.313 2.106 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](NS(=O)(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000329863150 532812865 /nfs/dbraw/zinc/81/28/65/532812865.db2.gz YYIVNKSRVTXRNL-IRXDYDNUSA-N 1 2 387.933 2.078 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](NS(=O)(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000329863150 532812866 /nfs/dbraw/zinc/81/28/66/532812866.db2.gz YYIVNKSRVTXRNL-IRXDYDNUSA-N 1 2 387.933 2.078 20 0 GEADLO CN(C(=O)[C@@H]1Cc2cc(Br)ccc2O1)C(C)(C)C[NH+]1CCOCC1 ZINC000414034988 532817659 /nfs/dbraw/zinc/81/76/59/532817659.db2.gz BFXCYOWSXOWOEB-INIZCTEOSA-N 1 2 397.313 2.322 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccccc1Br ZINC000288070541 532816693 /nfs/dbraw/zinc/81/66/93/532816693.db2.gz JHOKUCIYNJHRQI-UKRRQHHQSA-N 1 2 382.302 2.454 20 0 GEADLO Cn1ncc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1Br ZINC000273184775 532820724 /nfs/dbraw/zinc/82/07/24/532820724.db2.gz FRIUXQXFLSCHTF-UHFFFAOYSA-N 1 2 379.258 2.267 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CCCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000273150923 532820185 /nfs/dbraw/zinc/82/01/85/532820185.db2.gz HSERDQYGVOGDML-GJZGRUSLSA-N 1 2 381.885 2.246 20 0 GEADLO Cc1cc(Br)cc(C)c1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000330592268 532821904 /nfs/dbraw/zinc/82/19/04/532821904.db2.gz ZTSYLIUEEZOCAA-UHFFFAOYSA-N 1 2 391.331 2.067 20 0 GEADLO COCCC[N@H+](Cc1cccc2c1OC(F)(F)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000414366075 532822490 /nfs/dbraw/zinc/82/24/90/532822490.db2.gz AVHDUTAFJNEYIJ-CYBMUJFWSA-N 1 2 377.409 2.034 20 0 GEADLO COCCC[N@@H+](Cc1cccc2c1OC(F)(F)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000414366075 532822493 /nfs/dbraw/zinc/82/24/93/532822493.db2.gz AVHDUTAFJNEYIJ-CYBMUJFWSA-N 1 2 377.409 2.034 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)Cn3cccn3)[nH+]c12 ZINC000273496976 532825027 /nfs/dbraw/zinc/82/50/27/532825027.db2.gz ACEDMDVKCMOMNW-GFCCVEGCSA-N 1 2 391.273 2.490 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000414405019 532825144 /nfs/dbraw/zinc/82/51/44/532825144.db2.gz CIAQXQCZHVCXRU-JTQLQIEISA-N 1 2 375.372 2.381 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3CCCO3)[nH+]c12 ZINC000273512029 532825729 /nfs/dbraw/zinc/82/57/29/532825729.db2.gz RDIPDELTTMCZFW-AWEZNQCLSA-N 1 2 381.274 2.426 20 0 GEADLO CCO[C@@H]1C[C@H](Nc2[nH+]cnc3c2c(Br)nn3C)[C@@]12CCCO2 ZINC000273553956 532826112 /nfs/dbraw/zinc/82/61/12/532826112.db2.gz ZHTBKVGDSLZIKG-WMFXKJRFSA-N 1 2 382.262 2.264 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)Cn1cc[nH+]c1 ZINC000414455485 532828465 /nfs/dbraw/zinc/82/84/65/532828465.db2.gz AVHRSLVMYKHPHN-SNVBAGLBSA-N 1 2 376.251 2.399 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273606911 532828467 /nfs/dbraw/zinc/82/84/67/532828467.db2.gz NGPPIOYISKZLBN-UHFFFAOYSA-N 1 2 399.270 2.489 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(Br)o1 ZINC000330796860 532826908 /nfs/dbraw/zinc/82/69/08/532826908.db2.gz AIUOMVZMSRSCEY-UHFFFAOYSA-N 1 2 395.319 2.021 20 0 GEADLO C[C@@H](Cc1ccc(F)c(Br)c1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288435913 532827054 /nfs/dbraw/zinc/82/70/54/532827054.db2.gz SCROBGOOZCJZBL-XPTSAGLGSA-N 1 2 395.232 2.405 20 0 GEADLO C[C@@H](Cc1ccc(F)c(Br)c1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288435913 532827057 /nfs/dbraw/zinc/82/70/57/532827057.db2.gz SCROBGOOZCJZBL-XPTSAGLGSA-N 1 2 395.232 2.405 20 0 GEADLO O[C@@H]1c2ccccc2OC[C@H]1[NH2+]Cc1ncc(I)s1 ZINC000288488478 532829168 /nfs/dbraw/zinc/82/91/68/532829168.db2.gz HCWGJSPQZOGBLM-NOZJJQNGSA-N 1 2 388.230 2.332 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC[C@@H](NC(=O)NC4CC4)C3)c[nH+]c12 ZINC000273696136 532831630 /nfs/dbraw/zinc/83/16/30/532831630.db2.gz CHCKFJXPSLRWGI-CQSZACIVSA-N 1 2 392.301 2.441 20 0 GEADLO CCCCN(C)C(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000288613009 532832898 /nfs/dbraw/zinc/83/28/98/532832898.db2.gz QUGZAOXUORCALL-UHFFFAOYSA-N 1 2 381.274 2.280 20 0 GEADLO CC(C)CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000331123350 532833655 /nfs/dbraw/zinc/83/36/55/532833655.db2.gz NMZFAXBUEVVZHC-CQSZACIVSA-N 1 2 376.469 2.068 20 0 GEADLO COc1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)nc1Br ZINC000273816163 532834998 /nfs/dbraw/zinc/83/49/98/532834998.db2.gz ITUJWUPCJCBERQ-LBPRGKRZSA-N 1 2 381.230 2.438 20 0 GEADLO COc1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)nc1Br ZINC000273816163 532835000 /nfs/dbraw/zinc/83/50/00/532835000.db2.gz ITUJWUPCJCBERQ-LBPRGKRZSA-N 1 2 381.230 2.438 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C[C@@H]1C ZINC000331340419 532838285 /nfs/dbraw/zinc/83/82/85/532838285.db2.gz XGRZSJZVCUCOOR-RYUDHWBXSA-N 1 2 376.906 2.460 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C[C@@H]1C ZINC000331340419 532838287 /nfs/dbraw/zinc/83/82/87/532838287.db2.gz XGRZSJZVCUCOOR-RYUDHWBXSA-N 1 2 376.906 2.460 20 0 GEADLO CC(C)[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)c1[nH]cc[nH+]1 ZINC000288889917 532841162 /nfs/dbraw/zinc/84/11/62/532841162.db2.gz IJYIEJNPLBFNOP-SNVBAGLBSA-N 1 2 397.931 2.204 20 0 GEADLO Cn1ncc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1Br ZINC000274115608 532841203 /nfs/dbraw/zinc/84/12/03/532841203.db2.gz ADZXZLYUHYIKRI-UHFFFAOYSA-N 1 2 378.274 2.498 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C(N)=O)C(C)(C)C)[nH+]c12 ZINC000274134356 532842050 /nfs/dbraw/zinc/84/20/50/532842050.db2.gz CZYIAIFKGJBREM-LBPRGKRZSA-N 1 2 396.289 2.104 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N(C)CCn3cccn3)[nH+]c12 ZINC000274151185 532842575 /nfs/dbraw/zinc/84/25/75/532842575.db2.gz FZTXZGNMVAWXPE-UHFFFAOYSA-N 1 2 391.273 2.443 20 0 GEADLO O=C(Cc1cn2ccccc2[nH+]1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000058584612 206102462 /nfs/dbraw/zinc/10/24/62/206102462.db2.gz QBYADQPFEFHDEL-UHFFFAOYSA-N 1 2 375.432 2.384 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000331690376 532843106 /nfs/dbraw/zinc/84/31/06/532843106.db2.gz BEEGLBZVAGOZPY-DGCLKSJQSA-N 1 2 395.301 2.244 20 0 GEADLO CCN1CCN(C(=O)c2nc(C)sc2Br)C[C@H]1c1[nH]cc[nH+]1 ZINC000331818623 532844741 /nfs/dbraw/zinc/84/47/41/532844741.db2.gz MHTFGNVHNYWSTD-JTQLQIEISA-N 1 2 384.303 2.456 20 0 GEADLO C[C@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)[C@H](C)[NH+]1CCOCC1 ZINC000332027157 532848132 /nfs/dbraw/zinc/84/81/32/532848132.db2.gz NHRJQYYGQSXVMN-STQMWFEESA-N 1 2 395.297 2.450 20 0 GEADLO C[C@H]([C@H](C)NC(=O)C1=Cc2cc(Br)ccc2OC1)[NH+]1CCOCC1 ZINC000332027155 532847955 /nfs/dbraw/zinc/84/79/55/532847955.db2.gz NHRJQYYGQSXVMN-QWHCGFSZSA-N 1 2 395.297 2.450 20 0 GEADLO Cc1ccc(CCC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c(Br)c1 ZINC000274680898 532854287 /nfs/dbraw/zinc/85/42/87/532854287.db2.gz IDDNLRNSTWSINZ-UHFFFAOYSA-N 1 2 396.329 2.098 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000332603070 532857935 /nfs/dbraw/zinc/85/79/35/532857935.db2.gz LXOZUWDLNMYVKG-CYBMUJFWSA-N 1 2 391.331 2.152 20 0 GEADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCc3n[nH]c(=O)cc3C2)ccc1Br ZINC000274918081 532859842 /nfs/dbraw/zinc/85/98/42/532859842.db2.gz YJPFNODAJKHAFB-LLVKDONJSA-N 1 2 391.269 2.226 20 0 GEADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCc3n[nH]c(=O)cc3C2)ccc1Br ZINC000274918081 532859844 /nfs/dbraw/zinc/85/98/44/532859844.db2.gz YJPFNODAJKHAFB-LLVKDONJSA-N 1 2 391.269 2.226 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000289616535 532860477 /nfs/dbraw/zinc/86/04/77/532860477.db2.gz WAHCHDSHXFCQPF-UHFFFAOYSA-N 1 2 384.395 2.486 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)C[C@H]21 ZINC000332931748 532862317 /nfs/dbraw/zinc/86/23/17/532862317.db2.gz RTOVFBVXWTYVJO-CVEARBPZSA-N 1 2 393.285 2.155 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)C[C@H]21 ZINC000332931748 532862320 /nfs/dbraw/zinc/86/23/20/532862320.db2.gz RTOVFBVXWTYVJO-CVEARBPZSA-N 1 2 393.285 2.155 20 0 GEADLO Cc1nc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c(Br)s1 ZINC000416032652 532863504 /nfs/dbraw/zinc/86/35/04/532863504.db2.gz YHCYMXPAWFAPLU-UHFFFAOYSA-N 1 2 376.320 2.397 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cc(Cl)c(Br)cc2F)C1 ZINC000416147008 532864737 /nfs/dbraw/zinc/86/47/37/532864737.db2.gz WIEXYVNANXEZRJ-JTQLQIEISA-N 1 2 379.657 2.231 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)Cc2cc(Cl)c(Br)cc2F)C1 ZINC000416147008 532864740 /nfs/dbraw/zinc/86/47/40/532864740.db2.gz WIEXYVNANXEZRJ-JTQLQIEISA-N 1 2 379.657 2.231 20 0 GEADLO CC[C@H]1COCCN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333158292 532865440 /nfs/dbraw/zinc/86/54/40/532865440.db2.gz GTMKCUWBKVQXCJ-LBPRGKRZSA-N 1 2 399.289 2.323 20 0 GEADLO C[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C(=O)N1CCCC1 ZINC000289814954 532865688 /nfs/dbraw/zinc/86/56/88/532865688.db2.gz LUIBPMWYNLGUCQ-LBPRGKRZSA-N 1 2 378.274 2.130 20 0 GEADLO Cc1ccncc1CCC[N@H+](CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000289876008 532867058 /nfs/dbraw/zinc/86/70/58/532867058.db2.gz WNFHZNSWCWBNAO-UHFFFAOYSA-N 1 2 375.485 2.314 20 0 GEADLO Cc1ccncc1CCC[N@@H+](CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000289876008 532867062 /nfs/dbraw/zinc/86/70/62/532867062.db2.gz WNFHZNSWCWBNAO-UHFFFAOYSA-N 1 2 375.485 2.314 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)CCN1C ZINC000275213325 532868841 /nfs/dbraw/zinc/86/88/41/532868841.db2.gz BCGAPHMCTIVWLD-SECBINFHSA-N 1 2 395.337 2.466 20 0 GEADLO C[C@H]1CN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[S@](=O)C1 ZINC000333542902 532870484 /nfs/dbraw/zinc/87/04/84/532870484.db2.gz ASFVCZALNXXFIR-MGUXCZDKSA-N 1 2 389.319 2.142 20 0 GEADLO C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)O1 ZINC000333544244 532870574 /nfs/dbraw/zinc/87/05/74/532870574.db2.gz SOPMRGYCMHLUNO-FIXISWKDSA-N 1 2 384.274 2.433 20 0 GEADLO C[C@H]1C[C@H](C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000333568493 532870911 /nfs/dbraw/zinc/87/09/11/532870911.db2.gz XQGGHXZKSBAZRH-NWDGAFQWSA-N 1 2 384.274 2.434 20 0 GEADLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C(=O)NC(C)(C)C ZINC000290053620 532871416 /nfs/dbraw/zinc/87/14/16/532871416.db2.gz XGDJBUDDABYRMF-LLVKDONJSA-N 1 2 380.290 2.423 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCN1C ZINC000275302719 532871894 /nfs/dbraw/zinc/87/18/94/532871894.db2.gz NCOWCUFCDMSVNT-CQSZACIVSA-N 1 2 389.308 2.404 20 0 GEADLO CN(C)c1cc(NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[nH+]cc1Br ZINC000333746175 532872992 /nfs/dbraw/zinc/87/29/92/532872992.db2.gz YUDSLMZSGJXZAQ-BDJLRTHQSA-N 1 2 399.289 2.370 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1SCCc2sccc21 ZINC000333774879 532873563 /nfs/dbraw/zinc/87/35/63/532873563.db2.gz STCVVNRHQXMCSR-MRXNPFEDSA-N 1 2 382.551 2.076 20 0 GEADLO COCCCNC(=O)C1CC[NH+](Cc2cnc(Br)s2)CC1 ZINC000290188225 532874663 /nfs/dbraw/zinc/87/46/63/532874663.db2.gz ZUSAHJAHTMVXGL-UHFFFAOYSA-N 1 2 376.320 2.270 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290389019 532879656 /nfs/dbraw/zinc/87/96/56/532879656.db2.gz HXBANDJROSSGHN-LBPRGKRZSA-N 1 2 378.885 2.150 20 0 GEADLO CCc1cc(Br)ccc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000275621872 532879904 /nfs/dbraw/zinc/87/99/04/532879904.db2.gz LHRLMEAVUFQAMQ-UHFFFAOYSA-N 1 2 379.258 2.342 20 0 GEADLO CCOc1cc(Br)c(F)cc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000290484507 532882338 /nfs/dbraw/zinc/88/23/38/532882338.db2.gz OBFFABJBJLIKIW-UHFFFAOYSA-N 1 2 390.253 2.129 20 0 GEADLO CN(C)C(=O)C1CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000290434729 532880630 /nfs/dbraw/zinc/88/06/30/532880630.db2.gz NIOBDXXMRCJISU-UHFFFAOYSA-N 1 2 392.301 2.330 20 0 GEADLO CC[C@@H](CS(=O)(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)OC ZINC000420687241 532885147 /nfs/dbraw/zinc/88/51/47/532885147.db2.gz JCYGBGKIZFCBCU-ZDUSSCGKSA-N 1 2 390.303 2.250 20 0 GEADLO COc1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c(OC)n1 ZINC000290648187 532885649 /nfs/dbraw/zinc/88/56/49/532885649.db2.gz ONAQBWSNXGOZOC-CQSZACIVSA-N 1 2 380.242 2.178 20 0 GEADLO Cc1cc(Cl)ccc1OCCC[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000290801622 532890022 /nfs/dbraw/zinc/89/00/22/532890022.db2.gz FGDCVEGMAQENLZ-UHFFFAOYSA-N 1 2 386.905 2.058 20 0 GEADLO O=C(Nc1cccc(Br)c1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000360889137 532891084 /nfs/dbraw/zinc/89/10/84/532891084.db2.gz LTHGTEWQUKXTSR-OAHLLOKOSA-N 1 2 395.301 2.267 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000361234818 532892535 /nfs/dbraw/zinc/89/25/35/532892535.db2.gz SKPFPJIMNPKNEW-IUODEOHRSA-N 1 2 379.309 2.183 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000361234818 532892537 /nfs/dbraw/zinc/89/25/37/532892537.db2.gz SKPFPJIMNPKNEW-IUODEOHRSA-N 1 2 379.309 2.183 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000361954781 532894071 /nfs/dbraw/zinc/89/40/71/532894071.db2.gz GUCRPWJOJOFYDJ-HIFRSBDPSA-N 1 2 387.933 2.378 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000361954781 532894076 /nfs/dbraw/zinc/89/40/76/532894076.db2.gz GUCRPWJOJOFYDJ-HIFRSBDPSA-N 1 2 387.933 2.378 20 0 GEADLO C[C@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)c1ccc(Br)cc1 ZINC000290976162 532894271 /nfs/dbraw/zinc/89/42/71/532894271.db2.gz XZWWMCWKKAXGEP-NSHDSACASA-N 1 2 387.303 2.151 20 0 GEADLO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000290992047 532894431 /nfs/dbraw/zinc/89/44/31/532894431.db2.gz ZZZGJQZOXIMAOZ-LRDDRELGSA-N 1 2 386.905 2.057 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000361954784 532894423 /nfs/dbraw/zinc/89/44/23/532894423.db2.gz GUCRPWJOJOFYDJ-ZFWWWQNUSA-N 1 2 387.933 2.378 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000361954784 532894425 /nfs/dbraw/zinc/89/44/25/532894425.db2.gz GUCRPWJOJOFYDJ-ZFWWWQNUSA-N 1 2 387.933 2.378 20 0 GEADLO [NH3+][C@@H](C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1)c1cscn1 ZINC000423067503 532892797 /nfs/dbraw/zinc/89/27/97/532892797.db2.gz HIMWSFBMMSHAIM-OAHLLOKOSA-N 1 2 378.885 2.171 20 0 GEADLO CCn1cnnc1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276416571 532895271 /nfs/dbraw/zinc/89/52/71/532895271.db2.gz BWEBLXNSFONNKK-UHFFFAOYSA-N 1 2 380.290 2.187 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000291059643 532895682 /nfs/dbraw/zinc/89/56/82/532895682.db2.gz BQXLOLDQXPKAEO-NSHDSACASA-N 1 2 384.445 2.110 20 0 GEADLO CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)c1[nH]cc[nH+]1 ZINC000276489309 532897044 /nfs/dbraw/zinc/89/70/44/532897044.db2.gz GDPQNIGZDGZKJY-FZMZJTMJSA-N 1 2 384.889 2.243 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2cc(Br)cs2)C1 ZINC000276514138 532897511 /nfs/dbraw/zinc/89/75/11/532897511.db2.gz QCJRXXAAMAJGQR-NSHDSACASA-N 1 2 396.314 2.229 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2cc(Br)cs2)C1 ZINC000276514138 532897513 /nfs/dbraw/zinc/89/75/13/532897513.db2.gz QCJRXXAAMAJGQR-NSHDSACASA-N 1 2 396.314 2.229 20 0 GEADLO COC(=O)[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000276568764 532897832 /nfs/dbraw/zinc/89/78/32/532897832.db2.gz JZNVCBWVUGTCBH-OAHLLOKOSA-N 1 2 380.242 2.146 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CCc1cccc(Br)c1 ZINC000291333493 532900122 /nfs/dbraw/zinc/90/01/22/532900122.db2.gz VZXRWCRVPYVYJM-OAHLLOKOSA-N 1 2 397.361 2.269 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H](C)[C@@H]3CO)[nH+]c12 ZINC000276725999 532900355 /nfs/dbraw/zinc/90/03/55/532900355.db2.gz IMOPBFRTXCUGJX-NHYWBVRUSA-N 1 2 395.301 2.360 20 0 GEADLO COCC[C@@H]1COCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000291245169 532898733 /nfs/dbraw/zinc/89/87/33/532898733.db2.gz NKVLBEOCQVCNRZ-OAHLLOKOSA-N 1 2 385.302 2.145 20 0 GEADLO COCC[C@@H]1COCC[N@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000291245169 532898736 /nfs/dbraw/zinc/89/87/36/532898736.db2.gz NKVLBEOCQVCNRZ-OAHLLOKOSA-N 1 2 385.302 2.145 20 0 GEADLO OC[C@H]1C[N@H+](Cc2cn(-c3ccccc3Br)nn2)CCC1(F)F ZINC000291236782 532898950 /nfs/dbraw/zinc/89/89/50/532898950.db2.gz KWDPWEYTOSJMOO-LLVKDONJSA-N 1 2 387.228 2.479 20 0 GEADLO OC[C@H]1C[N@@H+](Cc2cn(-c3ccccc3Br)nn2)CCC1(F)F ZINC000291236782 532898951 /nfs/dbraw/zinc/89/89/51/532898951.db2.gz KWDPWEYTOSJMOO-LLVKDONJSA-N 1 2 387.228 2.479 20 0 GEADLO CCCn1nc2c(cc1=O)C[N@@H+](CC(=O)NCc1ccc(Cl)s1)CC2 ZINC000363447276 532898958 /nfs/dbraw/zinc/89/89/58/532898958.db2.gz AUGLIQGSPFFFHL-UHFFFAOYSA-N 1 2 380.901 2.043 20 0 GEADLO CCCn1nc2c(cc1=O)C[N@H+](CC(=O)NCc1ccc(Cl)s1)CC2 ZINC000363447276 532898959 /nfs/dbraw/zinc/89/89/59/532898959.db2.gz AUGLIQGSPFFFHL-UHFFFAOYSA-N 1 2 380.901 2.043 20 0 GEADLO COc1cc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc(Cl)c1OC ZINC000363747317 532900777 /nfs/dbraw/zinc/90/07/77/532900777.db2.gz BKLHYMQBGCRRJV-AWEZNQCLSA-N 1 2 388.917 2.357 20 0 GEADLO COc1cc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc(Cl)c1OC ZINC000363747317 532900778 /nfs/dbraw/zinc/90/07/78/532900778.db2.gz BKLHYMQBGCRRJV-AWEZNQCLSA-N 1 2 388.917 2.357 20 0 GEADLO Cc1c(Br)scc1C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000363819981 532901252 /nfs/dbraw/zinc/90/12/52/532901252.db2.gz KGVZDDBXMWHUDL-UHFFFAOYSA-N 1 2 388.331 2.055 20 0 GEADLO Cc1c(Br)scc1C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000363819981 532901254 /nfs/dbraw/zinc/90/12/54/532901254.db2.gz KGVZDDBXMWHUDL-UHFFFAOYSA-N 1 2 388.331 2.055 20 0 GEADLO CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@H](C)[NH+]2CCSCC2)n1 ZINC000276940570 532903821 /nfs/dbraw/zinc/90/38/21/532903821.db2.gz ZFTJZDDZDADSMC-GXTWGEPZSA-N 1 2 383.539 2.421 20 0 GEADLO C[N@H+](CC(=O)NC[C@@H]1CCCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000364177874 532904413 /nfs/dbraw/zinc/90/44/13/532904413.db2.gz RBCDTHPWDFREAD-DZGCQCFKSA-N 1 2 383.286 2.500 20 0 GEADLO C[N@@H+](CC(=O)NC[C@@H]1CCCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000364177874 532904416 /nfs/dbraw/zinc/90/44/16/532904416.db2.gz RBCDTHPWDFREAD-DZGCQCFKSA-N 1 2 383.286 2.500 20 0 GEADLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc(Br)nn1C ZINC000276960519 532904673 /nfs/dbraw/zinc/90/46/73/532904673.db2.gz DQZLNDKMJAKYFS-UHFFFAOYSA-N 1 2 380.168 2.214 20 0 GEADLO C[C@@H](CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1ccc(F)c(Br)c1 ZINC000291608270 532904967 /nfs/dbraw/zinc/90/49/67/532904967.db2.gz DFHOODYANLZAOY-GXTWGEPZSA-N 1 2 386.309 2.444 20 0 GEADLO C[C@@H](CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1ccc(F)c(Br)c1 ZINC000291608270 532904969 /nfs/dbraw/zinc/90/49/69/532904969.db2.gz DFHOODYANLZAOY-GXTWGEPZSA-N 1 2 386.309 2.444 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cn2ccc(Br)cc2n1 ZINC000291664311 532906689 /nfs/dbraw/zinc/90/66/89/532906689.db2.gz VPHZDBQXQPSYRT-XJKSGUPXSA-N 1 2 379.302 2.392 20 0 GEADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000365368730 532910156 /nfs/dbraw/zinc/91/01/56/532910156.db2.gz FSVJYTRMLIJIQE-UHFFFAOYSA-N 1 2 376.259 2.369 20 0 GEADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000365368730 532910157 /nfs/dbraw/zinc/91/01/57/532910157.db2.gz FSVJYTRMLIJIQE-UHFFFAOYSA-N 1 2 376.259 2.369 20 0 GEADLO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000365395022 532910441 /nfs/dbraw/zinc/91/04/41/532910441.db2.gz UNGKMTOMJZAGHT-OAHLLOKOSA-N 1 2 396.329 2.037 20 0 GEADLO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000365395022 532910443 /nfs/dbraw/zinc/91/04/43/532910443.db2.gz UNGKMTOMJZAGHT-OAHLLOKOSA-N 1 2 396.329 2.037 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000365027782 532908682 /nfs/dbraw/zinc/90/86/82/532908682.db2.gz MLKCLPXEUHUAQR-LBPRGKRZSA-N 1 2 382.251 2.332 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000291824182 532909217 /nfs/dbraw/zinc/90/92/17/532909217.db2.gz IIZMVCFGQGZIOQ-CQSZACIVSA-N 1 2 382.251 2.332 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2 ZINC000365593558 532911356 /nfs/dbraw/zinc/91/13/56/532911356.db2.gz VUWKFYYSCTTXLM-NSHDSACASA-N 1 2 375.372 2.383 20 0 GEADLO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000292323386 532915293 /nfs/dbraw/zinc/91/52/93/532915293.db2.gz CAJVOMRPOZKULR-IINYFYTJSA-N 1 2 388.281 2.257 20 0 GEADLO C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc(Br)cn1 ZINC000366277618 532915956 /nfs/dbraw/zinc/91/59/56/532915956.db2.gz HUPPBYXCQSXZEP-RISCZKNCSA-N 1 2 383.290 2.068 20 0 GEADLO C[C@@H](NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc(Br)cn1 ZINC000366277618 532915957 /nfs/dbraw/zinc/91/59/57/532915957.db2.gz HUPPBYXCQSXZEP-RISCZKNCSA-N 1 2 383.290 2.068 20 0 GEADLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H](O)COCc1cccs1 ZINC000292200446 532913971 /nfs/dbraw/zinc/91/39/71/532913971.db2.gz SFZMBDNRZAQTIN-YRGRVCCFSA-N 1 2 380.432 2.157 20 0 GEADLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@@H](O)COCc1cccs1 ZINC000292200446 532913973 /nfs/dbraw/zinc/91/39/73/532913973.db2.gz SFZMBDNRZAQTIN-YRGRVCCFSA-N 1 2 380.432 2.157 20 0 GEADLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@H](O)COCc1cccs1 ZINC000292200438 532914071 /nfs/dbraw/zinc/91/40/71/532914071.db2.gz SFZMBDNRZAQTIN-MBNYWOFBSA-N 1 2 380.432 2.157 20 0 GEADLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@H](O)COCc1cccs1 ZINC000292200438 532914072 /nfs/dbraw/zinc/91/40/72/532914072.db2.gz SFZMBDNRZAQTIN-MBNYWOFBSA-N 1 2 380.432 2.157 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000366580683 532919063 /nfs/dbraw/zinc/91/90/63/532919063.db2.gz LLCMIVKCTJBOOO-KBPBESRZSA-N 1 2 390.843 2.075 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000366580683 532919064 /nfs/dbraw/zinc/91/90/64/532919064.db2.gz LLCMIVKCTJBOOO-KBPBESRZSA-N 1 2 390.843 2.075 20 0 GEADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1cc(Br)c(=O)n(C)c1)CCC2 ZINC000366591820 532919092 /nfs/dbraw/zinc/91/90/92/532919092.db2.gz AQXLTHVAEBMGBX-NSHDSACASA-N 1 2 394.273 2.352 20 0 GEADLO O=C(Cc1cscc1Br)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000293103291 532922238 /nfs/dbraw/zinc/92/22/38/532922238.db2.gz OUOSWYIYUDMKIB-UHFFFAOYSA-N 1 2 399.314 2.221 20 0 GEADLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2ccnc(Br)c2)CC1 ZINC000292947071 532920221 /nfs/dbraw/zinc/92/02/21/532920221.db2.gz BURHIVGRQJNKQR-UHFFFAOYSA-N 1 2 398.301 2.078 20 0 GEADLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2ccnc(Br)c2)CC1 ZINC000292947071 532920223 /nfs/dbraw/zinc/92/02/23/532920223.db2.gz BURHIVGRQJNKQR-UHFFFAOYSA-N 1 2 398.301 2.078 20 0 GEADLO O=C1CO[C@@H]2CC[N@@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C[C@H]2N1 ZINC000366763222 532920962 /nfs/dbraw/zinc/92/09/62/532920962.db2.gz GBSHXZKTOYQJKS-HZPDHXFCSA-N 1 2 377.897 2.477 20 0 GEADLO O=C1CO[C@@H]2CC[N@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C[C@H]2N1 ZINC000366763222 532920963 /nfs/dbraw/zinc/92/09/63/532920963.db2.gz GBSHXZKTOYQJKS-HZPDHXFCSA-N 1 2 377.897 2.477 20 0 GEADLO Cc1c(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cnn1C ZINC000293183787 532923137 /nfs/dbraw/zinc/92/31/37/532923137.db2.gz YMNFJSVFEMFCFF-HNNXBMFYSA-N 1 2 379.873 2.183 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000293388818 532926225 /nfs/dbraw/zinc/92/62/25/532926225.db2.gz REPFFKBGQWUCTG-GFCCVEGCSA-N 1 2 399.285 2.028 20 0 GEADLO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cn1 ZINC000367684498 532926459 /nfs/dbraw/zinc/92/64/59/532926459.db2.gz FVIKXITVLDHVPS-CYBMUJFWSA-N 1 2 393.271 2.201 20 0 GEADLO CCN1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000367834970 532927851 /nfs/dbraw/zinc/92/78/51/532927851.db2.gz ZEWOBEYLRFKIPD-LBPRGKRZSA-N 1 2 390.843 2.409 20 0 GEADLO C[N@@H+]1CCN(C2CCN(C(=O)Nc3cccc(Br)c3)CC2)C(=O)C1 ZINC000367891217 532928570 /nfs/dbraw/zinc/92/85/70/532928570.db2.gz GCXSJFSKFIVKEJ-UHFFFAOYSA-N 1 2 395.301 2.219 20 0 GEADLO C[N@H+]1CCN(C2CCN(C(=O)Nc3cccc(Br)c3)CC2)C(=O)C1 ZINC000367891217 532928572 /nfs/dbraw/zinc/92/85/72/532928572.db2.gz GCXSJFSKFIVKEJ-UHFFFAOYSA-N 1 2 395.301 2.219 20 0 GEADLO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367977983 532928928 /nfs/dbraw/zinc/92/89/28/532928928.db2.gz SMSKAYUSTUAYFY-VIFPVBQESA-N 1 2 397.660 2.438 20 0 GEADLO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367977983 532928929 /nfs/dbraw/zinc/92/89/29/532928929.db2.gz SMSKAYUSTUAYFY-VIFPVBQESA-N 1 2 397.660 2.438 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)c(Br)c1 ZINC000368567015 532933146 /nfs/dbraw/zinc/93/31/46/532933146.db2.gz KYWPNLHPJZNOAB-UHFFFAOYSA-N 1 2 379.258 2.276 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br)C(=O)N(C)C ZINC000368548004 532933410 /nfs/dbraw/zinc/93/34/10/532933410.db2.gz ICASSZSHEDYDRI-DOMZBBRYSA-N 1 2 382.302 2.179 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br)C(=O)N(C)C ZINC000368548004 532933412 /nfs/dbraw/zinc/93/34/12/532933412.db2.gz ICASSZSHEDYDRI-DOMZBBRYSA-N 1 2 382.302 2.179 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000368806218 532934650 /nfs/dbraw/zinc/93/46/50/532934650.db2.gz QNAXBCIKIVKTOR-JTQLQIEISA-N 1 2 396.245 2.082 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000368806218 532934651 /nfs/dbraw/zinc/93/46/51/532934651.db2.gz QNAXBCIKIVKTOR-JTQLQIEISA-N 1 2 396.245 2.082 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368965035 532935908 /nfs/dbraw/zinc/93/59/08/532935908.db2.gz JABFDUPSEDSJGZ-DETPVDSQSA-N 1 2 380.286 2.282 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368965035 532935909 /nfs/dbraw/zinc/93/59/09/532935909.db2.gz JABFDUPSEDSJGZ-DETPVDSQSA-N 1 2 380.286 2.282 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1C[C@H](c2cccs2)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000369655072 532940290 /nfs/dbraw/zinc/94/02/90/532940290.db2.gz GMOAXQIXFQZZNK-QXSJWSMHSA-N 1 2 384.567 2.350 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1C[C@H](c2cccs2)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000369655072 532940291 /nfs/dbraw/zinc/94/02/91/532940291.db2.gz GMOAXQIXFQZZNK-QXSJWSMHSA-N 1 2 384.567 2.350 20 0 GEADLO C[N@@H+]1CC[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000369363854 532939046 /nfs/dbraw/zinc/93/90/46/532939046.db2.gz ODHSUZKSMXOQHR-RDJZCZTQSA-N 1 2 384.929 2.274 20 0 GEADLO C[N@H+]1CC[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000369363854 532939048 /nfs/dbraw/zinc/93/90/48/532939048.db2.gz ODHSUZKSMXOQHR-RDJZCZTQSA-N 1 2 384.929 2.274 20 0 GEADLO Cc1c(Br)cccc1C(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000369726943 532940562 /nfs/dbraw/zinc/94/05/62/532940562.db2.gz YZTVVWMINQRZJD-UHFFFAOYSA-N 1 2 396.329 2.430 20 0 GEADLO Cc1c(Br)cccc1C(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000369726943 532940563 /nfs/dbraw/zinc/94/05/63/532940563.db2.gz YZTVVWMINQRZJD-UHFFFAOYSA-N 1 2 396.329 2.430 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1SCCc2sccc21 ZINC000369725091 532940603 /nfs/dbraw/zinc/94/06/03/532940603.db2.gz FTCIGSBEVOSKKU-RDJZCZTQSA-N 1 2 384.592 2.403 20 0 GEADLO O=S1(=O)CC[C@H](C[NH+]2CCN(c3nc(-c4cccs4)cs3)CC2)C1 ZINC000370093291 532942142 /nfs/dbraw/zinc/94/21/42/532942142.db2.gz IMTQYRIRNGLREE-CYBMUJFWSA-N 1 2 383.564 2.428 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)c1cc2c(s1)CCS(=O)(=O)C2)c1ccccc1 ZINC000370538964 532944041 /nfs/dbraw/zinc/94/40/41/532944041.db2.gz PIAKNEILTJYZKL-OAHLLOKOSA-N 1 2 378.519 2.252 20 0 GEADLO O=C(Cc1cccc(I)c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371309533 532947562 /nfs/dbraw/zinc/94/75/62/532947562.db2.gz YBQKLKPMTURQNV-LBPRGKRZSA-N 1 2 381.217 2.231 20 0 GEADLO O=C(Cc1cccc(I)c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371309533 532947563 /nfs/dbraw/zinc/94/75/63/532947563.db2.gz YBQKLKPMTURQNV-LBPRGKRZSA-N 1 2 381.217 2.231 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000371540951 532948591 /nfs/dbraw/zinc/94/85/91/532948591.db2.gz LJEVZDUEQZPXAN-KGLIPLIRSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000371540951 532948592 /nfs/dbraw/zinc/94/85/92/532948592.db2.gz LJEVZDUEQZPXAN-KGLIPLIRSA-N 1 2 384.307 2.377 20 0 GEADLO Cc1cn2c([nH+]1)CN(CC(=O)Nc1cccc(I)c1)CC2 ZINC000371702396 532949312 /nfs/dbraw/zinc/94/93/12/532949312.db2.gz DXRZNGVAMJGNDB-UHFFFAOYSA-N 1 2 396.232 2.250 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cncc(I)c2)C1 ZINC000371074122 532946911 /nfs/dbraw/zinc/94/69/11/532946911.db2.gz HGCCXIOMPNWRSM-SNVBAGLBSA-N 1 2 382.205 2.049 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(F)c(Br)c3)C2)nn1 ZINC000371851481 532949663 /nfs/dbraw/zinc/94/96/63/532949663.db2.gz GIXYQTUYRHIOLD-LLVKDONJSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc(F)c(Br)c3)C2)nn1 ZINC000371851481 532949664 /nfs/dbraw/zinc/94/96/64/532949664.db2.gz GIXYQTUYRHIOLD-LLVKDONJSA-N 1 2 383.221 2.413 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000275686421 570698047 /nfs/dbraw/zinc/69/80/47/570698047.db2.gz MPYMRECAGIFIII-BPLDGKMQSA-N 1 2 387.434 2.173 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000275686421 570698049 /nfs/dbraw/zinc/69/80/49/570698049.db2.gz MPYMRECAGIFIII-BPLDGKMQSA-N 1 2 387.434 2.173 20 0 GEADLO CCn1cc(C2CC[NH+]([C@@H](C(=O)OC)c3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000736722087 598860794 /nfs/dbraw/zinc/86/07/94/598860794.db2.gz MYYPWMSYTNULPQ-GOSISDBHSA-N 1 2 395.467 2.177 20 0 GEADLO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)CCc1ccccc1OC ZINC000736899553 598861744 /nfs/dbraw/zinc/86/17/44/598861744.db2.gz BPLUBIIFIQXIND-SFHVURJKSA-N 1 2 381.436 2.264 20 0 GEADLO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)CCc1ccccc1OC ZINC000736899553 598861747 /nfs/dbraw/zinc/86/17/47/598861747.db2.gz BPLUBIIFIQXIND-SFHVURJKSA-N 1 2 381.436 2.264 20 0 GEADLO CCC(CC)[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)[NH+]1CCOCC1 ZINC000736337645 598935317 /nfs/dbraw/zinc/93/53/17/598935317.db2.gz MJMSCTYBJSRSOY-OAHLLOKOSA-N 1 2 379.896 2.464 20 0 GEADLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CCO1 ZINC000736592997 599048245 /nfs/dbraw/zinc/04/82/45/599048245.db2.gz GEMRABXIBQNFBR-LJQANCHMSA-N 1 2 393.447 2.298 20 0 GEADLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CCO1 ZINC000736592997 599048248 /nfs/dbraw/zinc/04/82/48/599048248.db2.gz GEMRABXIBQNFBR-LJQANCHMSA-N 1 2 393.447 2.298 20 0 GEADLO COc1cc(F)ccc1N1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000737054446 599081518 /nfs/dbraw/zinc/08/15/18/599081518.db2.gz QGIYLCASSTTWDU-UHFFFAOYSA-N 1 2 386.406 2.476 20 0 GEADLO O=C(C[NH+]1CCC(Oc2ccc(F)cc2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737875820 599081678 /nfs/dbraw/zinc/08/16/78/599081678.db2.gz MWZRBMWIOFSGSQ-UHFFFAOYSA-N 1 2 396.426 2.488 20 0 GEADLO NC(=O)[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737185 599090325 /nfs/dbraw/zinc/09/03/25/599090325.db2.gz OZYFNWBZXVOJLR-CQSZACIVSA-N 1 2 392.341 2.082 20 0 GEADLO NC(=O)[C@@H]([NH2+]Cc1csc(Br)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737241 599092720 /nfs/dbraw/zinc/09/27/20/599092720.db2.gz POCCJPYINSGNMN-LBPRGKRZSA-N 1 2 393.270 2.007 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cccc(N(C)C)c2)c(-c2nn[nH]n2)c1C ZINC000822549201 607312833 /nfs/dbraw/zinc/31/28/33/607312833.db2.gz VOBNCZGKLBJMQX-UHFFFAOYSA-N 1 2 383.456 2.213 20 0 GEADLO Cc1oc(NC(=O)C[N@H+](C)Cc2cccc(N(C)C)c2)c(-c2nn[nH]n2)c1C ZINC000822549201 607312834 /nfs/dbraw/zinc/31/28/34/607312834.db2.gz VOBNCZGKLBJMQX-UHFFFAOYSA-N 1 2 383.456 2.213 20 0 GEADLO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735664660 599288028 /nfs/dbraw/zinc/28/80/28/599288028.db2.gz NEESZUIBWJQFDX-NVXWUHKLSA-N 1 2 394.483 2.012 20 0 GEADLO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735664662 599287928 /nfs/dbraw/zinc/28/79/28/599287928.db2.gz NEESZUIBWJQFDX-WBVHZDCISA-N 1 2 394.483 2.012 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820307120 599288625 /nfs/dbraw/zinc/28/86/25/599288625.db2.gz IOCQXAUOROGMAR-SECBINFHSA-N 1 2 380.334 2.292 20 0 GEADLO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000820004994 607323311 /nfs/dbraw/zinc/32/33/11/607323311.db2.gz HUOUHXWODYBDIG-UHFFFAOYSA-N 1 2 378.392 2.415 20 0 GEADLO O=C(C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)NC1CCCCCCC1 ZINC000737884736 598255800 /nfs/dbraw/zinc/25/58/00/598255800.db2.gz VYWYPBPMQWYXLA-UHFFFAOYSA-N 1 2 397.527 2.218 20 0 GEADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736556065 598257075 /nfs/dbraw/zinc/25/70/75/598257075.db2.gz UTCLHEMPWCTMQI-AWEZNQCLSA-N 1 2 389.406 2.407 20 0 GEADLO CC[N@H+](Cc1c(F)cccc1F)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736556065 598257077 /nfs/dbraw/zinc/25/70/77/598257077.db2.gz UTCLHEMPWCTMQI-AWEZNQCLSA-N 1 2 389.406 2.407 20 0 GEADLO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000736696174 598285843 /nfs/dbraw/zinc/28/58/43/598285843.db2.gz WRQIXJOEKQJJAP-INIZCTEOSA-N 1 2 376.424 2.085 20 0 GEADLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000737508513 598353859 /nfs/dbraw/zinc/35/38/59/598353859.db2.gz BYLNPRGWHUDDCL-ZDUSSCGKSA-N 1 2 386.485 2.054 20 0 GEADLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000737508513 598353861 /nfs/dbraw/zinc/35/38/61/598353861.db2.gz BYLNPRGWHUDDCL-ZDUSSCGKSA-N 1 2 386.485 2.054 20 0 GEADLO Cc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503789 598356829 /nfs/dbraw/zinc/35/68/29/598356829.db2.gz YYSDNGBHQFNIDI-GUYCJALGSA-N 1 2 380.456 2.036 20 0 GEADLO Cc1nccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503789 598356832 /nfs/dbraw/zinc/35/68/32/598356832.db2.gz YYSDNGBHQFNIDI-GUYCJALGSA-N 1 2 380.456 2.036 20 0 GEADLO CCC(C)(C)C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736314044 598366491 /nfs/dbraw/zinc/36/64/91/598366491.db2.gz QEDZYELVZIAOAC-UHFFFAOYSA-N 1 2 379.468 2.500 20 0 GEADLO Cc1ccc(F)c(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737343495 598418358 /nfs/dbraw/zinc/41/83/58/598418358.db2.gz PXIKQARELAEHOX-UHFFFAOYSA-N 1 2 380.427 2.272 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(OC(C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000737547281 598429363 /nfs/dbraw/zinc/42/93/63/598429363.db2.gz JRIAEKYTIGTYGI-LBPRGKRZSA-N 1 2 376.461 2.293 20 0 GEADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736291131 598460171 /nfs/dbraw/zinc/46/01/71/598460171.db2.gz DEWAIWVKGMNYJJ-ZTNFWEORSA-N 1 2 395.463 2.068 20 0 GEADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736291131 598460172 /nfs/dbraw/zinc/46/01/72/598460172.db2.gz DEWAIWVKGMNYJJ-ZTNFWEORSA-N 1 2 395.463 2.068 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737843719 598461710 /nfs/dbraw/zinc/46/17/10/598461710.db2.gz MUUGYXNVZMEQEW-GOSISDBHSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737843719 598461712 /nfs/dbraw/zinc/46/17/12/598461712.db2.gz MUUGYXNVZMEQEW-GOSISDBHSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000738163604 598633120 /nfs/dbraw/zinc/63/31/20/598633120.db2.gz QZSYEDWMOLJZQD-UHFFFAOYSA-N 1 2 387.444 2.417 20 0 GEADLO Cc1cc(N2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)nc(C2CC2)[nH+]1 ZINC000737271105 598633399 /nfs/dbraw/zinc/63/33/99/598633399.db2.gz IULAXZBLEUBINB-UHFFFAOYSA-N 1 2 380.431 2.308 20 0 GEADLO O=C(CSc1ccc(-c2nn[nH]n2)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000737941659 598651058 /nfs/dbraw/zinc/65/10/58/598651058.db2.gz ORHXOUZDRGYTJE-UHFFFAOYSA-N 1 2 395.492 2.270 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000823197872 599295475 /nfs/dbraw/zinc/29/54/75/599295475.db2.gz WEKKEGMYOGATTA-UHFFFAOYSA-N 1 2 380.334 2.294 20 0 GEADLO CC[C@@H](O)CN1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000736381026 599357013 /nfs/dbraw/zinc/35/70/13/599357013.db2.gz GTYHJVXHZWHNJE-LJQANCHMSA-N 1 2 392.507 2.422 20 0 GEADLO NC(Cc1ccccc1)=[NH+]OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822889661 599385898 /nfs/dbraw/zinc/38/58/98/599385898.db2.gz ADXVJEGZSUXOGQ-UHFFFAOYSA-N 1 2 376.380 2.158 20 0 GEADLO CCC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)C(=O)N1CCc2sccc2C1 ZINC000821020387 599424304 /nfs/dbraw/zinc/42/43/04/599424304.db2.gz BXPGXOCSEWRIDP-AWEZNQCLSA-N 1 2 386.481 2.364 20 0 GEADLO FC(F)C(F)(F)CN1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000737638657 599476040 /nfs/dbraw/zinc/47/60/40/599476040.db2.gz IWGYJMXMARVOQY-UHFFFAOYSA-N 1 2 395.364 2.437 20 0 GEADLO Fc1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c(-c2nn[nH]n2)c1 ZINC000822783057 599497071 /nfs/dbraw/zinc/49/70/71/599497071.db2.gz SSJPSOKGPUYOCC-UHFFFAOYSA-N 1 2 398.442 2.329 20 0 GEADLO CNc1cc(N2CCC[C@@H]2CNc2cc(Cl)ccc2-c2nn[nH]n2)nc[nH+]1 ZINC000821637673 599529244 /nfs/dbraw/zinc/52/92/44/599529244.db2.gz OUCIXPPIHNPLLR-GFCCVEGCSA-N 1 2 385.863 2.433 20 0 GEADLO CN(c1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[C@H]1CCCN(c2cccnn2)C1 ZINC000821619037 599531653 /nfs/dbraw/zinc/53/16/53/599531653.db2.gz GTSDZEOTQVOVAD-AWEZNQCLSA-N 1 2 387.451 2.310 20 0 GEADLO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC000735873988 599577128 /nfs/dbraw/zinc/57/71/28/599577128.db2.gz KTVCVEKUBRFNGP-IBGZPJMESA-N 1 2 385.472 2.001 20 0 GEADLO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC000735873988 599577131 /nfs/dbraw/zinc/57/71/31/599577131.db2.gz KTVCVEKUBRFNGP-IBGZPJMESA-N 1 2 385.472 2.001 20 0 GEADLO O=C(CC[N@@H+]1CCOC[C@@H]1c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000822969752 599592126 /nfs/dbraw/zinc/59/21/26/599592126.db2.gz ZVGRTOIRUJFANO-OAHLLOKOSA-N 1 2 384.465 2.330 20 0 GEADLO O=C(CC[N@H+]1CCOC[C@@H]1c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000822969752 599592130 /nfs/dbraw/zinc/59/21/30/599592130.db2.gz ZVGRTOIRUJFANO-OAHLLOKOSA-N 1 2 384.465 2.330 20 0 GEADLO O=C(CC[N@@H+]1CCOC[C@H]1c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000822969751 599592861 /nfs/dbraw/zinc/59/28/61/599592861.db2.gz ZVGRTOIRUJFANO-HNNXBMFYSA-N 1 2 384.465 2.330 20 0 GEADLO O=C(CC[N@H+]1CCOC[C@H]1c1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000822969751 599592863 /nfs/dbraw/zinc/59/28/63/599592863.db2.gz ZVGRTOIRUJFANO-HNNXBMFYSA-N 1 2 384.465 2.330 20 0 GEADLO O=C(c1cccc2cnccc21)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823493162 599648387 /nfs/dbraw/zinc/64/83/87/599648387.db2.gz GOTWOOFQWSWDBK-UHFFFAOYSA-N 1 2 399.458 2.373 20 0 GEADLO Cc1cc(Oc2ccc(-c3nn[nH]n3)cc2)ccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000822211924 599698038 /nfs/dbraw/zinc/69/80/38/599698038.db2.gz UECNWFBOYSMMNH-SFHVURJKSA-N 1 2 394.435 2.237 20 0 GEADLO Cn1ccnc1[C@@H](O)C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822699070 607387575 /nfs/dbraw/zinc/38/75/75/607387575.db2.gz MYZWXPWHSCBDKL-SFHVURJKSA-N 1 2 390.451 2.098 20 0 GEADLO C[N@H+](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C(C)(C)C(=O)[O-] ZINC000737387573 600308237 /nfs/dbraw/zinc/30/82/37/600308237.db2.gz DODCACIPRNOJGH-UHFFFAOYSA-N 1 2 383.492 2.279 20 0 GEADLO C[N@@H+](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C(C)(C)C(=O)[O-] ZINC000737387573 600308240 /nfs/dbraw/zinc/30/82/40/600308240.db2.gz DODCACIPRNOJGH-UHFFFAOYSA-N 1 2 383.492 2.279 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000736202944 600432318 /nfs/dbraw/zinc/43/23/18/600432318.db2.gz APAVJTNSKAJYHZ-MSOLQXFVSA-N 1 2 379.545 2.286 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000736202944 600432320 /nfs/dbraw/zinc/43/23/20/600432320.db2.gz APAVJTNSKAJYHZ-MSOLQXFVSA-N 1 2 379.545 2.286 20 0 GEADLO CC[N@H+](Cn1cc(C(=O)[O-])nn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000737108516 600706115 /nfs/dbraw/zinc/70/61/15/600706115.db2.gz VTJYLOBDDPESOM-UHFFFAOYSA-N 1 2 387.488 2.147 20 0 GEADLO CC[N@@H+](Cn1cc(C(=O)[O-])nn1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000737108516 600706116 /nfs/dbraw/zinc/70/61/16/600706116.db2.gz VTJYLOBDDPESOM-UHFFFAOYSA-N 1 2 387.488 2.147 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H](C(=O)[O-])c3ccccc3F)cc2)CC1 ZINC000830949133 600738640 /nfs/dbraw/zinc/73/86/40/600738640.db2.gz BOKKAKCPBHEYJW-LJQANCHMSA-N 1 2 385.439 2.129 20 0 GEADLO CC[C@H](O)C[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)Cc1ccccc1 ZINC000825154813 607473500 /nfs/dbraw/zinc/47/35/00/607473500.db2.gz UHHVGXXATGMBAC-INIZCTEOSA-N 1 2 398.467 2.288 20 0 GEADLO CC[C@H](O)C[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)Cc1ccccc1 ZINC000825154813 607473501 /nfs/dbraw/zinc/47/35/01/607473501.db2.gz UHHVGXXATGMBAC-INIZCTEOSA-N 1 2 398.467 2.288 20 0 GEADLO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826501523 607480404 /nfs/dbraw/zinc/48/04/04/607480404.db2.gz UNXUXFOYXWATEX-UHFFFAOYSA-N 1 2 376.424 2.154 20 0 GEADLO C[C@@H]1C[C@@H]([NH+](C)CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CC[N@@H+]1C ZINC000736759754 600967347 /nfs/dbraw/zinc/96/73/47/600967347.db2.gz KFAHSAACPLYEKZ-SIXWZSSISA-N 1 2 386.496 2.136 20 0 GEADLO C[C@@H]1C[C@@H]([NH+](C)CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CC[N@H+]1C ZINC000736759754 600967350 /nfs/dbraw/zinc/96/73/50/600967350.db2.gz KFAHSAACPLYEKZ-SIXWZSSISA-N 1 2 386.496 2.136 20 0 GEADLO C[C@@H]1C[C@@H]([N@H+](C)CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CC[NH+]1C ZINC000736759754 600967353 /nfs/dbraw/zinc/96/73/53/600967353.db2.gz KFAHSAACPLYEKZ-SIXWZSSISA-N 1 2 386.496 2.136 20 0 GEADLO C[C@@H]1C[C@@H]([N@@H+](C)CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CC[NH+]1C ZINC000736759754 600967355 /nfs/dbraw/zinc/96/73/55/600967355.db2.gz KFAHSAACPLYEKZ-SIXWZSSISA-N 1 2 386.496 2.136 20 0 GEADLO COc1ccc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)cc1-c1nn[nH]n1 ZINC000826195335 607506279 /nfs/dbraw/zinc/50/62/79/607506279.db2.gz PTTHEIZZTIUAQN-HNNXBMFYSA-N 1 2 379.468 2.149 20 0 GEADLO COc1ccc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1-c1nn[nH]n1 ZINC000826195335 607506281 /nfs/dbraw/zinc/50/62/81/607506281.db2.gz PTTHEIZZTIUAQN-HNNXBMFYSA-N 1 2 379.468 2.149 20 0 GEADLO C[NH+]1CCC(CNC(=O)NCc2cccc(C(=O)[O-])c2)([NH+]2CCCCC2)CC1 ZINC000635509937 601882165 /nfs/dbraw/zinc/88/21/65/601882165.db2.gz LDCZUTZNUOESFX-UHFFFAOYSA-N 1 2 388.512 2.134 20 0 GEADLO O=C([O-])CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000833263366 601978518 /nfs/dbraw/zinc/97/85/18/601978518.db2.gz MNSCRIFXTPTGTH-UHFFFAOYSA-N 1 2 399.472 2.162 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000443990349 649931107 /nfs/dbraw/zinc/93/11/07/649931107.db2.gz OBRLKXRTSZXVJD-LLVKDONJSA-N 1 2 385.287 2.146 20 0 GEADLO CN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000739729720 602668462 /nfs/dbraw/zinc/66/84/62/602668462.db2.gz FYYBHXZUXMBMRI-OAHLLOKOSA-N 1 2 378.448 2.156 20 0 GEADLO CN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000739729720 602668464 /nfs/dbraw/zinc/66/84/64/602668464.db2.gz FYYBHXZUXMBMRI-OAHLLOKOSA-N 1 2 378.448 2.156 20 0 GEADLO C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823654553 602925183 /nfs/dbraw/zinc/92/51/83/602925183.db2.gz KNBZCBDSOISQEF-LPHOPBHVSA-N 1 2 390.528 2.116 20 0 GEADLO C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823654553 602925186 /nfs/dbraw/zinc/92/51/86/602925186.db2.gz KNBZCBDSOISQEF-LPHOPBHVSA-N 1 2 390.528 2.116 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000826183580 607641108 /nfs/dbraw/zinc/64/11/08/607641108.db2.gz UCKSCOHWTNLIDW-RTBURBONSA-N 1 2 395.463 2.200 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000826183580 607641109 /nfs/dbraw/zinc/64/11/09/607641109.db2.gz UCKSCOHWTNLIDW-RTBURBONSA-N 1 2 395.463 2.200 20 0 GEADLO COc1cccc([C@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3OC)CCO2)c1 ZINC000826215577 607643575 /nfs/dbraw/zinc/64/35/75/607643575.db2.gz SXNQJRWCHPIFDU-LJQANCHMSA-N 1 2 381.436 2.457 20 0 GEADLO COc1cccc([C@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3OC)CCO2)c1 ZINC000826215577 607643577 /nfs/dbraw/zinc/64/35/77/607643577.db2.gz SXNQJRWCHPIFDU-LJQANCHMSA-N 1 2 381.436 2.457 20 0 GEADLO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000444341244 649946844 /nfs/dbraw/zinc/94/68/44/649946844.db2.gz KRQKDFQLJOBOKG-OCCSQVGLSA-N 1 2 377.794 2.112 20 0 GEADLO CC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000444341244 649946847 /nfs/dbraw/zinc/94/68/47/649946847.db2.gz KRQKDFQLJOBOKG-OCCSQVGLSA-N 1 2 377.794 2.112 20 0 GEADLO CC(C)[N@H+](CC(=O)[O-])CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000263560502 604922378 /nfs/dbraw/zinc/92/23/78/604922378.db2.gz BNGIORLQVOZYNA-KRWDZBQOSA-N 1 2 381.904 2.388 20 0 GEADLO CC(C)[N@@H+](CC(=O)[O-])CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000263560502 604922381 /nfs/dbraw/zinc/92/23/81/604922381.db2.gz BNGIORLQVOZYNA-KRWDZBQOSA-N 1 2 381.904 2.388 20 0 GEADLO C[C@@H](Oc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833540510 605112456 /nfs/dbraw/zinc/11/24/56/605112456.db2.gz LJZMRUYRJDSMPF-VGSWGCGISA-N 1 2 384.476 2.265 20 0 GEADLO C[C@@H](Oc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833540510 605112459 /nfs/dbraw/zinc/11/24/59/605112459.db2.gz LJZMRUYRJDSMPF-VGSWGCGISA-N 1 2 384.476 2.265 20 0 GEADLO O=C([O-])N1CCC[C@H](CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000831986407 605252280 /nfs/dbraw/zinc/25/22/80/605252280.db2.gz RBHABYGFXTUKEL-OAHLLOKOSA-N 1 2 387.484 2.240 20 0 GEADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826388995 607753056 /nfs/dbraw/zinc/75/30/56/607753056.db2.gz NXXRRJDKUGWYAD-WMLDXEAASA-N 1 2 398.854 2.200 20 0 GEADLO Cc1cccn2cc(CCNC(=O)CCc3ccc(-c4nn[nH]n4)cc3)[nH+]c12 ZINC000822366816 606106717 /nfs/dbraw/zinc/10/67/17/606106717.db2.gz UJQNSYPDBBJOIA-UHFFFAOYSA-N 1 2 375.436 2.114 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c(-c2nn[nH]n2)c1C ZINC000822558988 606110836 /nfs/dbraw/zinc/11/08/36/606110836.db2.gz URZOOWFUUOEOFG-CYBMUJFWSA-N 1 2 386.485 2.054 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c(-c2nn[nH]n2)c1C ZINC000822558988 606110837 /nfs/dbraw/zinc/11/08/37/606110837.db2.gz URZOOWFUUOEOFG-CYBMUJFWSA-N 1 2 386.485 2.054 20 0 GEADLO Cc1sc(NC(=O)C[NH+]2CCC(OCC3CC3)CC2)c(-c2nn[nH]n2)c1C ZINC000822558525 606115954 /nfs/dbraw/zinc/11/59/54/606115954.db2.gz QARQSVDEVQIZGI-UHFFFAOYSA-N 1 2 390.513 2.375 20 0 GEADLO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821000632 606333901 /nfs/dbraw/zinc/33/39/01/606333901.db2.gz HMCRAWFODABHEX-MSOLQXFVSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821000632 606333903 /nfs/dbraw/zinc/33/39/03/606333903.db2.gz HMCRAWFODABHEX-MSOLQXFVSA-N 1 2 383.500 2.144 20 0 GEADLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000820011451 606486636 /nfs/dbraw/zinc/48/66/36/606486636.db2.gz NGPFOFTUQBWROC-CQSZACIVSA-N 1 2 394.426 2.205 20 0 GEADLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000820011451 606486637 /nfs/dbraw/zinc/48/66/37/606486637.db2.gz NGPFOFTUQBWROC-CQSZACIVSA-N 1 2 394.426 2.205 20 0 GEADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(F)c1 ZINC000822226605 606520168 /nfs/dbraw/zinc/52/01/68/606520168.db2.gz ZXIJVLPBDFYVOY-UHFFFAOYSA-N 1 2 380.427 2.272 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCS[C@@H]2CCCC[C@H]21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562669 606528525 /nfs/dbraw/zinc/52/85/25/606528525.db2.gz VRJHOSINPPXURN-HZPDHXFCSA-N 1 2 393.538 2.000 20 0 GEADLO O=S(=O)(CC[N@H+]1CCS[C@@H]2CCCC[C@H]21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562669 606528526 /nfs/dbraw/zinc/52/85/26/606528526.db2.gz VRJHOSINPPXURN-HZPDHXFCSA-N 1 2 393.538 2.000 20 0 GEADLO C[C@@H](c1cccc(NC(=O)Cc2cccc(-c3nn[nH]n3)c2)c1)[NH+]1CCOCC1 ZINC000820563195 606551982 /nfs/dbraw/zinc/55/19/82/606551982.db2.gz ORNSGAXZOMVUGP-HNNXBMFYSA-N 1 2 392.463 2.441 20 0 GEADLO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822476971 606616552 /nfs/dbraw/zinc/61/65/52/606616552.db2.gz BNQCQVJSRHZXFJ-MRXNPFEDSA-N 1 2 391.439 2.086 20 0 GEADLO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822476971 606616554 /nfs/dbraw/zinc/61/65/54/606616554.db2.gz BNQCQVJSRHZXFJ-MRXNPFEDSA-N 1 2 391.439 2.086 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c(Cl)c1 ZINC000821794398 606618888 /nfs/dbraw/zinc/61/88/88/606618888.db2.gz FZQGZOSKSJAJMD-UHFFFAOYSA-N 1 2 385.859 2.246 20 0 GEADLO O=C1[C@@H]2CCCCC[C@H]2N1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823520901 606632248 /nfs/dbraw/zinc/63/22/48/606632248.db2.gz OVSBDRLUBVLFGC-RTBURBONSA-N 1 2 396.495 2.459 20 0 GEADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823249967 606673967 /nfs/dbraw/zinc/67/39/67/606673967.db2.gz NHGHGGCANSYJHV-UHFFFAOYSA-N 1 2 399.336 2.400 20 0 GEADLO O=C(C=C1CCC1)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822917134 606675533 /nfs/dbraw/zinc/67/55/33/606675533.db2.gz OHCGMXZMEHDIQF-UHFFFAOYSA-N 1 2 375.436 2.174 20 0 GEADLO O=C(C[N@@H+]1CCc2ccccc2[C@H]1CO)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000823002474 606720509 /nfs/dbraw/zinc/72/05/09/606720509.db2.gz ZELPZTIHTZZRSN-QGZVFWFLSA-N 1 2 398.854 2.050 20 0 GEADLO O=C(C[N@H+]1CCc2ccccc2[C@H]1CO)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000823002474 606720511 /nfs/dbraw/zinc/72/05/11/606720511.db2.gz ZELPZTIHTZZRSN-QGZVFWFLSA-N 1 2 398.854 2.050 20 0 GEADLO O[C@H](C[C@@H]1COCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823672377 606915754 /nfs/dbraw/zinc/91/57/54/606915754.db2.gz DHWDBWREYRYYOW-SJLPKXTDSA-N 1 2 399.451 2.053 20 0 GEADLO O[C@H](C[C@@H]1COCC[N@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823672377 606915756 /nfs/dbraw/zinc/91/57/56/606915756.db2.gz DHWDBWREYRYYOW-SJLPKXTDSA-N 1 2 399.451 2.053 20 0 GEADLO CC(C)(C)OC(=O)N1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000819933339 606918309 /nfs/dbraw/zinc/91/83/09/606918309.db2.gz OBYLEDCXHRKXIE-UHFFFAOYSA-N 1 2 388.472 2.188 20 0 GEADLO Cc1nc(C2([NH2+]C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCCCCC2)no1 ZINC000822431756 606921417 /nfs/dbraw/zinc/92/14/17/606921417.db2.gz IFEGERKFJBQISZ-INIZCTEOSA-N 1 2 383.456 2.431 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)OC(C)(C)C ZINC000820760971 606976088 /nfs/dbraw/zinc/97/60/88/606976088.db2.gz UVYLSHCMTDJDNR-LBPRGKRZSA-N 1 2 376.436 2.447 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)OC(C)(C)C ZINC000820760971 606976090 /nfs/dbraw/zinc/97/60/90/606976090.db2.gz UVYLSHCMTDJDNR-LBPRGKRZSA-N 1 2 376.436 2.447 20 0 GEADLO COc1ccc(OC)c2c1C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@H]2O ZINC000821841155 607058557 /nfs/dbraw/zinc/05/85/57/607058557.db2.gz DMYLFPBPUCGFQM-OAHLLOKOSA-N 1 2 385.399 2.072 20 0 GEADLO C[C@@H](c1nc(C2CC2)no1)N1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000820571100 607063083 /nfs/dbraw/zinc/06/30/83/607063083.db2.gz VSKRDDZMZJDDIR-LBPRGKRZSA-N 1 2 398.446 2.145 20 0 GEADLO CC(C)CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820096948 607090020 /nfs/dbraw/zinc/09/00/20/607090020.db2.gz IUMZUXPQHKKVHV-ZDUSSCGKSA-N 1 2 378.864 2.206 20 0 GEADLO CC(C)CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820096948 607090021 /nfs/dbraw/zinc/09/00/21/607090021.db2.gz IUMZUXPQHKKVHV-ZDUSSCGKSA-N 1 2 378.864 2.206 20 0 GEADLO COCCC1(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCC1 ZINC000821685688 607150744 /nfs/dbraw/zinc/15/07/44/607150744.db2.gz MJNHGDIJRHOZHZ-UHFFFAOYSA-N 1 2 398.511 2.108 20 0 GEADLO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000820026977 607163724 /nfs/dbraw/zinc/16/37/24/607163724.db2.gz OEPVDIRQZRQWAH-KRWDZBQOSA-N 1 2 383.456 2.015 20 0 GEADLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)C2)o1 ZINC000822389498 607194239 /nfs/dbraw/zinc/19/42/39/607194239.db2.gz YUTBHTJVZSWQQV-HNNXBMFYSA-N 1 2 396.455 2.210 20 0 GEADLO Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)C2)o1 ZINC000822389498 607194240 /nfs/dbraw/zinc/19/42/40/607194240.db2.gz YUTBHTJVZSWQQV-HNNXBMFYSA-N 1 2 396.455 2.210 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)c(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000822207313 607226364 /nfs/dbraw/zinc/22/63/64/607226364.db2.gz RGWOFFJWTLWXER-UHFFFAOYSA-N 1 2 379.472 2.119 20 0 GEADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000822361971 607231654 /nfs/dbraw/zinc/23/16/54/607231654.db2.gz LVQZOYFIOOODFA-UHFFFAOYSA-N 1 2 397.870 2.182 20 0 GEADLO CC1(C)C[C@@H]1C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000824796526 607793825 /nfs/dbraw/zinc/79/38/25/607793825.db2.gz QDZZOCLBNPJQPM-OAHLLOKOSA-N 1 2 377.452 2.110 20 0 GEADLO CC[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)Cc1cccs1 ZINC000825424397 607814557 /nfs/dbraw/zinc/81/45/57/607814557.db2.gz FJPFUDRCOCZEKO-UHFFFAOYSA-N 1 2 377.495 2.224 20 0 GEADLO CC[N@@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)Cc1cccs1 ZINC000825424397 607814558 /nfs/dbraw/zinc/81/45/58/607814558.db2.gz FJPFUDRCOCZEKO-UHFFFAOYSA-N 1 2 377.495 2.224 20 0 GEADLO C[C@@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825028028 607827962 /nfs/dbraw/zinc/82/79/62/607827962.db2.gz CYIURBVMXFTUDV-CQSZACIVSA-N 1 2 383.477 2.260 20 0 GEADLO C[C@@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825028028 607827963 /nfs/dbraw/zinc/82/79/63/607827963.db2.gz CYIURBVMXFTUDV-CQSZACIVSA-N 1 2 383.477 2.260 20 0 GEADLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)[C@@H]2C1 ZINC000826145305 607858335 /nfs/dbraw/zinc/85/83/35/607858335.db2.gz CZXBBOYDFBUERM-RBSFLKMASA-N 1 2 395.410 2.236 20 0 GEADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)[C@@H]2C1 ZINC000826145305 607858336 /nfs/dbraw/zinc/85/83/36/607858336.db2.gz CZXBBOYDFBUERM-RBSFLKMASA-N 1 2 395.410 2.236 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028442 608121231 /nfs/dbraw/zinc/12/12/31/608121231.db2.gz AHEDWWCNLVZLBZ-MJGOQNOKSA-N 1 2 398.417 2.249 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028442 608121232 /nfs/dbraw/zinc/12/12/32/608121232.db2.gz AHEDWWCNLVZLBZ-MJGOQNOKSA-N 1 2 398.417 2.249 20 0 GEADLO NC(Cc1cccnc1)=[NH+]OCc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000826394013 608230639 /nfs/dbraw/zinc/23/06/39/608230639.db2.gz SUHQWTZOYAGRHZ-UHFFFAOYSA-N 1 2 375.339 2.104 20 0 GEADLO c1c(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524902 608258616 /nfs/dbraw/zinc/25/86/16/608258616.db2.gz OEZWMRAAWGAXMR-CQSZACIVSA-N 1 2 389.467 2.495 20 0 GEADLO c1c(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524902 608258617 /nfs/dbraw/zinc/25/86/17/608258617.db2.gz OEZWMRAAWGAXMR-CQSZACIVSA-N 1 2 389.467 2.495 20 0 GEADLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1-c1nn[nH]n1 ZINC000826332332 608317110 /nfs/dbraw/zinc/31/71/10/608317110.db2.gz QMHYYCDDWPFPOL-NVXWUHKLSA-N 1 2 397.508 2.067 20 0 GEADLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1-c1nn[nH]n1 ZINC000826332332 608317112 /nfs/dbraw/zinc/31/71/12/608317112.db2.gz QMHYYCDDWPFPOL-NVXWUHKLSA-N 1 2 397.508 2.067 20 0 GEADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000826389260 608321458 /nfs/dbraw/zinc/32/14/58/608321458.db2.gz TVAVITUCVTWZQS-MRXNPFEDSA-N 1 2 391.460 2.102 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000826168952 608375359 /nfs/dbraw/zinc/37/53/59/608375359.db2.gz DGRQALKMPPVMKO-OAHLLOKOSA-N 1 2 380.456 2.250 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000826168952 608375361 /nfs/dbraw/zinc/37/53/61/608375361.db2.gz DGRQALKMPPVMKO-OAHLLOKOSA-N 1 2 380.456 2.250 20 0 GEADLO CCCOc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000825339134 608451417 /nfs/dbraw/zinc/45/14/17/608451417.db2.gz OJAQSKRIMZOLTG-HNNXBMFYSA-N 1 2 394.483 2.156 20 0 GEADLO CCCOc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000825339134 608451419 /nfs/dbraw/zinc/45/14/19/608451419.db2.gz OJAQSKRIMZOLTG-HNNXBMFYSA-N 1 2 394.483 2.156 20 0 GEADLO COC(=O)C1([NH2+]CCC(=O)Nc2sccc2-c2nn[nH]n2)CCCCCC1 ZINC000826124078 608458428 /nfs/dbraw/zinc/45/84/28/608458428.db2.gz NSTOGSGXUFDOMY-UHFFFAOYSA-N 1 2 392.485 2.112 20 0 GEADLO CCn1nc(C)c(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000825807149 608502139 /nfs/dbraw/zinc/50/21/39/608502139.db2.gz NPVVCTNSBRJXLF-UHFFFAOYSA-N 1 2 380.500 2.018 20 0 GEADLO CC(C)(C)Oc1cccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)n1 ZINC000824123632 608571193 /nfs/dbraw/zinc/57/11/93/608571193.db2.gz IWEOWQOGSPCZTF-UHFFFAOYSA-N 1 2 394.483 2.156 20 0 GEADLO CCOc1cccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)n1 ZINC000825648767 608594839 /nfs/dbraw/zinc/59/48/39/608594839.db2.gz AZLJLVVSYGSILH-UHFFFAOYSA-N 1 2 383.431 2.122 20 0 GEADLO C[C@H](c1nc(C2CC2)no1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824778014 608687011 /nfs/dbraw/zinc/68/70/11/608687011.db2.gz MQHAJAWFPMPRHJ-LLVKDONJSA-N 1 2 386.485 2.067 20 0 GEADLO C[C@@]1(c2ccccc2)C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CCO1 ZINC000824843655 608697259 /nfs/dbraw/zinc/69/72/59/608697259.db2.gz IZEHBLBHVORMNU-FQEVSTJZSA-N 1 2 375.436 2.262 20 0 GEADLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CCO1 ZINC000824843655 608697261 /nfs/dbraw/zinc/69/72/61/608697261.db2.gz IZEHBLBHVORMNU-FQEVSTJZSA-N 1 2 375.436 2.262 20 0 GEADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)o1 ZINC000824900302 608837072 /nfs/dbraw/zinc/83/70/72/608837072.db2.gz UPNDFENNUXRWAG-NFAWXSAZSA-N 1 2 380.456 2.084 20 0 GEADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)o1 ZINC000824900302 608837074 /nfs/dbraw/zinc/83/70/74/608837074.db2.gz UPNDFENNUXRWAG-NFAWXSAZSA-N 1 2 380.456 2.084 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cscc1Cl ZINC000825001371 608838990 /nfs/dbraw/zinc/83/89/90/608838990.db2.gz ZZNFAWCHCKWISO-SNVBAGLBSA-N 1 2 376.877 2.082 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cscc1Cl ZINC000825001371 608838992 /nfs/dbraw/zinc/83/89/92/608838992.db2.gz ZZNFAWCHCKWISO-SNVBAGLBSA-N 1 2 376.877 2.082 20 0 GEADLO Nc1nc(NCc2nc(-c3cccc(-c4nn[nH]n4)c3)c[nH]2)[nH+]c2ccccc12 ZINC000826396010 609166849 /nfs/dbraw/zinc/16/68/49/609166849.db2.gz BXNOLGQHCTWNLI-UHFFFAOYSA-N 1 2 384.407 2.394 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)cc1 ZINC000824347954 609190344 /nfs/dbraw/zinc/19/03/44/609190344.db2.gz UWDGTLUVXQCLAB-UHFFFAOYSA-N 1 2 379.468 2.276 20 0 GEADLO CC[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccc2c(c1)OCO2 ZINC000825399333 609268474 /nfs/dbraw/zinc/26/84/74/609268474.db2.gz QCXJPRFAKSKFNB-UHFFFAOYSA-N 1 2 386.437 2.118 20 0 GEADLO CC[N@@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccc2c(c1)OCO2 ZINC000825399333 609268477 /nfs/dbraw/zinc/26/84/77/609268477.db2.gz QCXJPRFAKSKFNB-UHFFFAOYSA-N 1 2 386.437 2.118 20 0 GEADLO O=C(CC[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000826407282 609272550 /nfs/dbraw/zinc/27/25/50/609272550.db2.gz HPVSBKHDKDPBEZ-UHFFFAOYSA-N 1 2 393.451 2.127 20 0 GEADLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826504799 609365470 /nfs/dbraw/zinc/36/54/70/609365470.db2.gz DTXODUURZJUKLM-GFCCVEGCSA-N 1 2 392.179 2.128 20 0 GEADLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826504799 609365471 /nfs/dbraw/zinc/36/54/71/609365471.db2.gz DTXODUURZJUKLM-GFCCVEGCSA-N 1 2 392.179 2.128 20 0 GEADLO COc1cc(C)c(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c(C)n1 ZINC000826178470 609408567 /nfs/dbraw/zinc/40/85/67/609408567.db2.gz ZGRIXUHOWFUAAW-UHFFFAOYSA-N 1 2 397.458 2.348 20 0 GEADLO CCc1cc(N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)nc(C)[nH+]1 ZINC000825700786 609440136 /nfs/dbraw/zinc/44/01/36/609440136.db2.gz SLILPMQONXNLNN-INIZCTEOSA-N 1 2 378.440 2.135 20 0 GEADLO c1ccc(C[N@@H+]2CCO[C@@H](c3noc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)cc1 ZINC000826521202 609475968 /nfs/dbraw/zinc/47/59/68/609475968.db2.gz DKPFYYAHEGVGRB-QGZVFWFLSA-N 1 2 389.419 2.490 20 0 GEADLO c1ccc(C[N@H+]2CCO[C@@H](c3noc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)cc1 ZINC000826521202 609475969 /nfs/dbraw/zinc/47/59/69/609475969.db2.gz DKPFYYAHEGVGRB-QGZVFWFLSA-N 1 2 389.419 2.490 20 0 GEADLO C[NH+](C)[C@H](C(=O)OCCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000825848233 609621338 /nfs/dbraw/zinc/62/13/38/609621338.db2.gz AMULEUXOTNXQFD-SFHVURJKSA-N 1 2 381.436 2.482 20 0 GEADLO O=C(Cc1cccc(Cl)c1Cl)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000447565385 650007382 /nfs/dbraw/zinc/00/73/82/650007382.db2.gz KXMFRWYVRVNQEB-HNNXBMFYSA-N 1 2 387.307 2.486 20 0 GEADLO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000448975186 650027864 /nfs/dbraw/zinc/02/78/64/650027864.db2.gz NYBMSZQAHRSGKE-NSHDSACASA-N 1 2 388.281 2.050 20 0 GEADLO COC(=O)Cn1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)nn1 ZINC000449270737 650037311 /nfs/dbraw/zinc/03/73/11/650037311.db2.gz CYLXIKNGNXNPAH-JTQLQIEISA-N 1 2 383.246 2.073 20 0 GEADLO CN(C)S(=O)(=O)N1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450540853 650067046 /nfs/dbraw/zinc/06/70/46/650067046.db2.gz QMQQFUMEBARKHX-UHFFFAOYSA-N 1 2 386.880 2.346 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451054938 650082486 /nfs/dbraw/zinc/08/24/86/650082486.db2.gz MGBQOHULXDCWOT-JTQLQIEISA-N 1 2 376.251 2.293 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@H]21 ZINC000451527147 650123389 /nfs/dbraw/zinc/12/33/89/650123389.db2.gz JOMPFCONJCQYOU-HZMVEIRTSA-N 1 2 379.298 2.484 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@H]21 ZINC000451527147 650123392 /nfs/dbraw/zinc/12/33/92/650123392.db2.gz JOMPFCONJCQYOU-HZMVEIRTSA-N 1 2 379.298 2.484 20 0 GEADLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)c1 ZINC000451651051 650128938 /nfs/dbraw/zinc/12/89/38/650128938.db2.gz LZYGMHZBRRUQCH-CABCVRRESA-N 1 2 375.918 2.287 20 0 GEADLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)c1 ZINC000451651051 650128940 /nfs/dbraw/zinc/12/89/40/650128940.db2.gz LZYGMHZBRRUQCH-CABCVRRESA-N 1 2 375.918 2.287 20 0 GEADLO Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000451880719 650149643 /nfs/dbraw/zinc/14/96/43/650149643.db2.gz AFJCDZIUDNIECX-CZUORRHYSA-N 1 2 376.444 2.448 20 0 GEADLO Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000451880719 650149645 /nfs/dbraw/zinc/14/96/45/650149645.db2.gz AFJCDZIUDNIECX-CZUORRHYSA-N 1 2 376.444 2.448 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000452045585 650168879 /nfs/dbraw/zinc/16/88/79/650168879.db2.gz UAHZGQLLKLYGKU-UHFFFAOYSA-N 1 2 382.507 2.361 20 0 GEADLO Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000453559023 650209157 /nfs/dbraw/zinc/20/91/57/650209157.db2.gz DRRQUNGPBBLLFM-UHFFFAOYSA-N 1 2 383.221 2.238 20 0 GEADLO CC(C)c1ncsc1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000453616415 650210607 /nfs/dbraw/zinc/21/06/07/650210607.db2.gz GVJGIAZDLVYYCE-UHFFFAOYSA-N 1 2 378.523 2.441 20 0 GEADLO CC(C)c1ncsc1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000453616415 650210610 /nfs/dbraw/zinc/21/06/10/650210610.db2.gz GVJGIAZDLVYYCE-UHFFFAOYSA-N 1 2 378.523 2.441 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453712158 650218501 /nfs/dbraw/zinc/21/85/01/650218501.db2.gz MRJIHEQLRQJSAT-NSHDSACASA-N 1 2 391.269 2.098 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453712158 650218506 /nfs/dbraw/zinc/21/85/06/650218506.db2.gz MRJIHEQLRQJSAT-NSHDSACASA-N 1 2 391.269 2.098 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@]2(CCSC2)C1 ZINC000454371584 650264861 /nfs/dbraw/zinc/26/48/61/650264861.db2.gz YOKIVEHEMVUMTB-ZWKOTPCHSA-N 1 2 385.599 2.123 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000454659779 650274998 /nfs/dbraw/zinc/27/49/98/650274998.db2.gz RVJBDJQUDNVVGV-LBPRGKRZSA-N 1 2 376.284 2.392 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000454659779 650275000 /nfs/dbraw/zinc/27/50/00/650275000.db2.gz RVJBDJQUDNVVGV-LBPRGKRZSA-N 1 2 376.284 2.392 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(I)cn1 ZINC000455985137 650327540 /nfs/dbraw/zinc/32/75/40/650327540.db2.gz CSSKBYHXIXZTJJ-GFCCVEGCSA-N 1 2 394.216 2.090 20 0 GEADLO O=C(CCOc1ccccc1Br)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456221833 650334397 /nfs/dbraw/zinc/33/43/97/650334397.db2.gz ZECXVLFQSKDBNH-OKILXGFUSA-N 1 2 383.286 2.197 20 0 GEADLO O=C(CCOc1ccccc1Br)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456221833 650334400 /nfs/dbraw/zinc/33/44/00/650334400.db2.gz ZECXVLFQSKDBNH-OKILXGFUSA-N 1 2 383.286 2.197 20 0 GEADLO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC000456733057 650361294 /nfs/dbraw/zinc/36/12/94/650361294.db2.gz VNTMLIHKLBORDR-CQSZACIVSA-N 1 2 380.286 2.312 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)co2)CC1 ZINC000457549734 650380783 /nfs/dbraw/zinc/38/07/83/650380783.db2.gz ARQMYPQLJMVYQS-UHFFFAOYSA-N 1 2 386.290 2.058 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)co2)CC1 ZINC000457549734 650380785 /nfs/dbraw/zinc/38/07/85/650380785.db2.gz ARQMYPQLJMVYQS-UHFFFAOYSA-N 1 2 386.290 2.058 20 0 GEADLO CN(C)c1ccc(Br)c(S(=O)(=O)NCCNc2cccc[nH+]2)c1 ZINC000501000845 650385842 /nfs/dbraw/zinc/38/58/42/650385842.db2.gz LUIPCHUWYFTLRN-UHFFFAOYSA-N 1 2 399.314 2.301 20 0 GEADLO CCn1c(SCC(=O)NCCc2cn(C)c[nH+]2)nnc1-c1cccs1 ZINC000457894469 650388673 /nfs/dbraw/zinc/38/86/73/650388673.db2.gz ZZAYQMRQGXWTDD-UHFFFAOYSA-N 1 2 376.511 2.211 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C(C)(C)C1 ZINC000501339665 650390007 /nfs/dbraw/zinc/39/00/07/650390007.db2.gz DHIBDIQFKHPBSC-UHFFFAOYSA-N 1 2 398.248 2.334 20 0 GEADLO C[N@H+]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C(C)(C)C1 ZINC000501339665 650390008 /nfs/dbraw/zinc/39/00/08/650390008.db2.gz DHIBDIQFKHPBSC-UHFFFAOYSA-N 1 2 398.248 2.334 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458104218 650395313 /nfs/dbraw/zinc/39/53/13/650395313.db2.gz JQGPIRYAWJFAQW-ZDUSSCGKSA-N 1 2 398.276 2.222 20 0 GEADLO CC[C@H](NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)[C@@H](C)O ZINC000458685825 650407648 /nfs/dbraw/zinc/40/76/48/650407648.db2.gz ZCIKVYSIJKRCLL-RISCZKNCSA-N 1 2 383.290 2.406 20 0 GEADLO Cc1nc(CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)sc1Br ZINC000458918285 650414068 /nfs/dbraw/zinc/41/40/68/650414068.db2.gz CZOSJIDFDJTXCY-SNVBAGLBSA-N 1 2 391.335 2.076 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2nc(C)c(Br)s2)CCO1 ZINC000458931744 650414779 /nfs/dbraw/zinc/41/47/79/650414779.db2.gz QNIPMNZVOWIVAS-NSHDSACASA-N 1 2 391.335 2.124 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2nc(C)c(Br)s2)CCO1 ZINC000458931744 650414780 /nfs/dbraw/zinc/41/47/80/650414780.db2.gz QNIPMNZVOWIVAS-NSHDSACASA-N 1 2 391.335 2.124 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cn2c(n1)CCCC2)[N@@H+]1CCc2sccc2C1 ZINC000503473892 650418332 /nfs/dbraw/zinc/41/83/32/650418332.db2.gz BBLGZQORPUCNBW-ZDUSSCGKSA-N 1 2 380.539 2.006 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cn2c(n1)CCCC2)[N@H+]1CCc2sccc2C1 ZINC000503473892 650418334 /nfs/dbraw/zinc/41/83/34/650418334.db2.gz BBLGZQORPUCNBW-ZDUSSCGKSA-N 1 2 380.539 2.006 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCc1cccc(Br)c1 ZINC000459148114 650419554 /nfs/dbraw/zinc/41/95/54/650419554.db2.gz KNWRISSMNKHGAN-RHSMWYFYSA-N 1 2 396.329 2.496 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000503801896 650422593 /nfs/dbraw/zinc/42/25/93/650422593.db2.gz WPMMJRZDNIRLOX-ZJUUUORDSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000503801896 650422595 /nfs/dbraw/zinc/42/25/95/650422595.db2.gz WPMMJRZDNIRLOX-ZJUUUORDSA-N 1 2 395.294 2.310 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cccc(O)c2Br)CC1 ZINC000459366903 650423090 /nfs/dbraw/zinc/42/30/90/650423090.db2.gz YGIKQFNGWVMINQ-AWEZNQCLSA-N 1 2 396.329 2.283 20 0 GEADLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000504119428 650427570 /nfs/dbraw/zinc/42/75/70/650427570.db2.gz BGPANEMUQSEEIA-NHAGDIPZSA-N 1 2 395.257 2.095 20 0 GEADLO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCc2n[nH]nc2C1 ZINC000505304881 650436309 /nfs/dbraw/zinc/43/63/09/650436309.db2.gz PWVDUZITXBEXQV-MRXNPFEDSA-N 1 2 390.285 2.289 20 0 GEADLO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc2[nH+]ccn21 ZINC000460337164 650441930 /nfs/dbraw/zinc/44/19/30/650441930.db2.gz WLABFCZZGHPNSI-UHFFFAOYSA-N 1 2 399.204 2.332 20 0 GEADLO Cc1nnc(CCNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)s1 ZINC000461915680 650462411 /nfs/dbraw/zinc/46/24/11/650462411.db2.gz AASLVBLANWSEFG-STQMWFEESA-N 1 2 383.518 2.362 20 0 GEADLO Cc1nnc(CCNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)s1 ZINC000461915680 650462412 /nfs/dbraw/zinc/46/24/12/650462412.db2.gz AASLVBLANWSEFG-STQMWFEESA-N 1 2 383.518 2.362 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)CCc2ccccc2Br)[C@H](C)C1 ZINC000462055958 650465147 /nfs/dbraw/zinc/46/51/47/650465147.db2.gz GHGSAUULEYYXBJ-CYBMUJFWSA-N 1 2 375.332 2.347 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)CCc2ccccc2Br)[C@H](C)C1 ZINC000462055958 650465149 /nfs/dbraw/zinc/46/51/49/650465149.db2.gz GHGSAUULEYYXBJ-CYBMUJFWSA-N 1 2 375.332 2.347 20 0 GEADLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Br)cn1)c1ccsc1 ZINC000462433148 650479316 /nfs/dbraw/zinc/47/93/16/650479316.db2.gz QZTDPNWTLWXIBK-GFCCVEGCSA-N 1 2 390.328 2.487 20 0 GEADLO C[NH+]1CCN(C(=O)c2cc(NCc3ccc(Br)cc3)ccn2)CC1 ZINC000508519320 650481819 /nfs/dbraw/zinc/48/18/19/650481819.db2.gz UHIQFROKKNIAGI-UHFFFAOYSA-N 1 2 389.297 2.266 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1C(F)(F)F ZINC000509158534 650488273 /nfs/dbraw/zinc/48/82/73/650488273.db2.gz ZYPYYHHJWFBPFA-UHFFFAOYSA-N 1 2 375.372 2.081 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1C(F)(F)F ZINC000509158534 650488276 /nfs/dbraw/zinc/48/82/76/650488276.db2.gz ZYPYYHHJWFBPFA-UHFFFAOYSA-N 1 2 375.372 2.081 20 0 GEADLO COCCC[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCS(=O)(=O)C1 ZINC000509327334 650493212 /nfs/dbraw/zinc/49/32/12/650493212.db2.gz KMLVXJDSVAQWFB-ZDUSSCGKSA-N 1 2 377.409 2.034 20 0 GEADLO COCCC[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCS(=O)(=O)C1 ZINC000509327334 650493213 /nfs/dbraw/zinc/49/32/13/650493213.db2.gz KMLVXJDSVAQWFB-ZDUSSCGKSA-N 1 2 377.409 2.034 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000463381708 650494581 /nfs/dbraw/zinc/49/45/81/650494581.db2.gz NZABHADPLDSZLC-SECBINFHSA-N 1 2 395.204 2.183 20 0 GEADLO CN1c2ccc(Br)cc2N(C[C@@H](O)C[NH+]2CCOCC2)CC1(C)C ZINC000471005162 650518170 /nfs/dbraw/zinc/51/81/70/650518170.db2.gz KHWXKTCZUBZVMQ-HNNXBMFYSA-N 1 2 398.345 2.177 20 0 GEADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(S(C)(=O)=O)s1)C2 ZINC000470739822 650516657 /nfs/dbraw/zinc/51/66/57/650516657.db2.gz FTHCCQUXFRJXPC-LLVKDONJSA-N 1 2 381.523 2.419 20 0 GEADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(S(C)(=O)=O)s1)CC2 ZINC000470739822 650516660 /nfs/dbraw/zinc/51/66/60/650516660.db2.gz FTHCCQUXFRJXPC-LLVKDONJSA-N 1 2 381.523 2.419 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511095069 650525841 /nfs/dbraw/zinc/52/58/41/650525841.db2.gz IDDHGJLCEBQROG-KGLIPLIRSA-N 1 2 387.933 2.270 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511095069 650525843 /nfs/dbraw/zinc/52/58/43/650525843.db2.gz IDDHGJLCEBQROG-KGLIPLIRSA-N 1 2 387.933 2.270 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)N[C@H](C)c2ccc(Br)cn2)CCO1 ZINC000475241713 650529940 /nfs/dbraw/zinc/52/99/40/650529940.db2.gz FKTYPRWKHYWDHO-OCCSQVGLSA-N 1 2 385.306 2.315 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](C)c2ccc(Br)cn2)CCO1 ZINC000475241713 650529945 /nfs/dbraw/zinc/52/99/45/650529945.db2.gz FKTYPRWKHYWDHO-OCCSQVGLSA-N 1 2 385.306 2.315 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)[C@H](C)C1 ZINC000511294134 650532249 /nfs/dbraw/zinc/53/22/49/650532249.db2.gz DLTNEMDWVBIULN-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)[C@H](C)C1 ZINC000511294134 650532252 /nfs/dbraw/zinc/53/22/52/650532252.db2.gz DLTNEMDWVBIULN-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)[C@@H](C)C1 ZINC000511295535 650532305 /nfs/dbraw/zinc/53/23/05/650532305.db2.gz KZDGTNDGMOWSTA-NSHDSACASA-N 1 2 389.315 2.099 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)[C@@H](C)C1 ZINC000511295535 650532306 /nfs/dbraw/zinc/53/23/06/650532306.db2.gz KZDGTNDGMOWSTA-NSHDSACASA-N 1 2 389.315 2.099 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000511684489 650540961 /nfs/dbraw/zinc/54/09/61/650540961.db2.gz CPLSPJWXURXTOA-QMMMGPOBSA-N 1 2 387.184 2.067 20 0 GEADLO CC[C@@H]1CN(C[C@@H](C)C[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@@]1=O ZINC000512414158 650547778 /nfs/dbraw/zinc/54/77/78/650547778.db2.gz CCNXYEMHBXTZTH-JPZVADTOSA-N 1 2 376.632 2.085 20 0 GEADLO CC[C@@H]1CN(C[C@@H](C)C[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@@]1=O ZINC000512414158 650547779 /nfs/dbraw/zinc/54/77/79/650547779.db2.gz CCNXYEMHBXTZTH-JPZVADTOSA-N 1 2 376.632 2.085 20 0 GEADLO CC[C@@H]1CN(C[C@H](C)C[N@@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@@]1=O ZINC000512414158 650547780 /nfs/dbraw/zinc/54/77/80/650547780.db2.gz CCNXYEMHBXTZTH-JPZVADTOSA-N 1 2 376.632 2.085 20 0 GEADLO CC[C@@H]1CN(C[C@H](C)C[N@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@@]1=O ZINC000512414158 650547781 /nfs/dbraw/zinc/54/77/81/650547781.db2.gz CCNXYEMHBXTZTH-JPZVADTOSA-N 1 2 376.632 2.085 20 0 GEADLO CCC(CC)(NC(=O)C1C[NH+](Cc2ccc(Br)c(C)c2)C1)C(N)=O ZINC000513251406 650560674 /nfs/dbraw/zinc/56/06/74/650560674.db2.gz ABHATUPKDKPWHZ-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO CCC(CC)(NC(=O)C1C[NH+](Cc2cccc(Br)c2)C1)C(N)=O ZINC000513260057 650560710 /nfs/dbraw/zinc/56/07/10/650560710.db2.gz FIRKVYXVDHYPDV-UHFFFAOYSA-N 1 2 382.302 2.041 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1cc(Br)ccc1F ZINC000514657794 650575788 /nfs/dbraw/zinc/57/57/88/650575788.db2.gz NKSCBZXVFDMUDK-OKILXGFUSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1cc(Br)ccc1F ZINC000514657794 650575790 /nfs/dbraw/zinc/57/57/90/650575790.db2.gz NKSCBZXVFDMUDK-OKILXGFUSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@]12CCC(=O)N1CCS2 ZINC000514777200 650578854 /nfs/dbraw/zinc/57/88/54/650578854.db2.gz AZHNLQDHACZVPJ-QGZVFWFLSA-N 1 2 376.869 2.207 20 0 GEADLO CSC[C@H]1CCCN1C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000514953764 650584503 /nfs/dbraw/zinc/58/45/03/650584503.db2.gz USSXWVZWJMWKGG-CJNGLKHVSA-N 1 2 383.945 2.413 20 0 GEADLO Cc1cccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1Br ZINC000478994959 650593273 /nfs/dbraw/zinc/59/32/73/650593273.db2.gz WTFSSVMBILUFTK-OAHLLOKOSA-N 1 2 397.313 2.321 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)cc1Br ZINC000515266883 650590657 /nfs/dbraw/zinc/59/06/57/650590657.db2.gz SGAGNRCXBBSSFL-UHFFFAOYSA-N 1 2 377.242 2.319 20 0 GEADLO CCSCC[C@@H](C)N(C)C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000478827706 650591766 /nfs/dbraw/zinc/59/17/66/650591766.db2.gz HMYDKMXWNNVSLF-CQSZACIVSA-N 1 2 383.583 2.213 20 0 GEADLO CCSCC[C@@H](C)N(C)C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000478827706 650591768 /nfs/dbraw/zinc/59/17/68/650591768.db2.gz HMYDKMXWNNVSLF-CQSZACIVSA-N 1 2 383.583 2.213 20 0 GEADLO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccccc2)c2ccsc2S1(=O)=O ZINC000515347533 650592040 /nfs/dbraw/zinc/59/20/40/650592040.db2.gz DVUVFKVLBDVHCK-WFASDCNBSA-N 1 2 385.532 2.419 20 0 GEADLO O=C(c1cc(Br)cs1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000479010995 650593762 /nfs/dbraw/zinc/59/37/62/650593762.db2.gz GBNGXBIHJOMLMK-CYBMUJFWSA-N 1 2 389.315 2.074 20 0 GEADLO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000516726029 650600787 /nfs/dbraw/zinc/60/07/87/650600787.db2.gz ICZFRRBHHRKGBU-OKILXGFUSA-N 1 2 383.279 2.163 20 0 GEADLO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000516726029 650600789 /nfs/dbraw/zinc/60/07/89/650600789.db2.gz ICZFRRBHHRKGBU-OKILXGFUSA-N 1 2 383.279 2.163 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000479435088 650603808 /nfs/dbraw/zinc/60/38/08/650603808.db2.gz FBNKMEUDIOXBOI-CYBMUJFWSA-N 1 2 379.931 2.191 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cc(F)c(Br)cc1F)[NH+]1CCCC1 ZINC000519743217 650612432 /nfs/dbraw/zinc/61/24/32/650612432.db2.gz SVEWMGGTLYFLFG-VIFPVBQESA-N 1 2 383.258 2.490 20 0 GEADLO CC(C)(O)C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)CC1 ZINC000520629558 650615661 /nfs/dbraw/zinc/61/56/61/650615661.db2.gz RRSOWPRHXKSDDX-UHFFFAOYSA-N 1 2 380.432 2.002 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000523151963 650632231 /nfs/dbraw/zinc/63/22/31/650632231.db2.gz JIARRPJHVQDLSS-NSHDSACASA-N 1 2 394.269 2.153 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000523151963 650632234 /nfs/dbraw/zinc/63/22/34/650632234.db2.gz JIARRPJHVQDLSS-NSHDSACASA-N 1 2 394.269 2.153 20 0 GEADLO CCOC(=O)CCCS(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000522570619 650626105 /nfs/dbraw/zinc/62/61/05/650626105.db2.gz BFAXAEAKAGCNGD-HNNXBMFYSA-N 1 2 376.906 2.205 20 0 GEADLO COc1ccc(Br)c2[nH]c(C(=O)NCC[N@@H+]3CCO[C@H](C)C3)cc21 ZINC000523715088 650637409 /nfs/dbraw/zinc/63/74/09/650637409.db2.gz KLEXUOFOIHFUDT-LLVKDONJSA-N 1 2 396.285 2.390 20 0 GEADLO COc1ccc(Br)c2[nH]c(C(=O)NCC[N@H+]3CCO[C@H](C)C3)cc21 ZINC000523715088 650637412 /nfs/dbraw/zinc/63/74/12/650637412.db2.gz KLEXUOFOIHFUDT-LLVKDONJSA-N 1 2 396.285 2.390 20 0 GEADLO CCN(Cc1ccccc1)S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000480937041 650638127 /nfs/dbraw/zinc/63/81/27/650638127.db2.gz NQRJOHNGUVZJGR-UHFFFAOYSA-N 1 2 379.551 2.463 20 0 GEADLO CCN(Cc1ccccc1)S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000480937041 650638128 /nfs/dbraw/zinc/63/81/28/650638128.db2.gz NQRJOHNGUVZJGR-UHFFFAOYSA-N 1 2 379.551 2.463 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000524600932 650643670 /nfs/dbraw/zinc/64/36/70/650643670.db2.gz XNJMYLBEAVLCAU-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000524600932 650643673 /nfs/dbraw/zinc/64/36/73/650643673.db2.gz XNJMYLBEAVLCAU-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CC=C(c3cccc(Cl)c3)CC2)cn1 ZINC000481770317 650652898 /nfs/dbraw/zinc/65/28/98/650652898.db2.gz XHQJHVIXKWEPOG-UHFFFAOYSA-N 1 2 380.901 2.141 20 0 GEADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)cn1 ZINC000481770317 650652901 /nfs/dbraw/zinc/65/29/01/650652901.db2.gz XHQJHVIXKWEPOG-UHFFFAOYSA-N 1 2 380.901 2.141 20 0 GEADLO O=C(CCSc1ccccc1Cl)N1CC[NH+](CCn2cncn2)CC1 ZINC000524832544 650647041 /nfs/dbraw/zinc/64/70/41/650647041.db2.gz UGEYALMYXWNFAO-UHFFFAOYSA-N 1 2 379.917 2.258 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000481491386 650647709 /nfs/dbraw/zinc/64/77/09/650647709.db2.gz HSYDCTPBTTZLLP-XPKDYRNWSA-N 1 2 386.286 2.462 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000481491386 650647710 /nfs/dbraw/zinc/64/77/10/650647710.db2.gz HSYDCTPBTTZLLP-XPKDYRNWSA-N 1 2 386.286 2.462 20 0 GEADLO C[C@H](C(=O)N(CCO)Cc1ccc(Br)s1)[NH+]1CCSCC1 ZINC000483011572 650673348 /nfs/dbraw/zinc/67/33/48/650673348.db2.gz DPBBEROBOSFOOU-LLVKDONJSA-N 1 2 393.372 2.269 20 0 GEADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1nc(-c2cccc(Br)c2)no1 ZINC000483295512 650676134 /nfs/dbraw/zinc/67/61/34/650676134.db2.gz YUOZHRGHKXAIGG-RISCZKNCSA-N 1 2 382.258 2.471 20 0 GEADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1nc(-c2cccc(Br)c2)no1 ZINC000483295512 650676136 /nfs/dbraw/zinc/67/61/36/650676136.db2.gz YUOZHRGHKXAIGG-RISCZKNCSA-N 1 2 382.258 2.471 20 0 GEADLO Cc1c(Br)cccc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000483380873 650677662 /nfs/dbraw/zinc/67/76/62/650677662.db2.gz OWUSJXCQDUUGAF-OAHLLOKOSA-N 1 2 397.313 2.321 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000483810559 650681967 /nfs/dbraw/zinc/68/19/67/650681967.db2.gz UVGBWIYMBXBPIE-VIFPVBQESA-N 1 2 385.649 2.442 20 0 GEADLO CCn1nncc1C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000527913204 650682871 /nfs/dbraw/zinc/68/28/71/650682871.db2.gz HYPUBNRCEUHUPW-QMMMGPOBSA-N 1 2 378.285 2.103 20 0 GEADLO CNC(=O)NC[C@@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CCO1 ZINC000528122073 650685515 /nfs/dbraw/zinc/68/55/15/650685515.db2.gz LJGXIFBGAMPSIN-SNVBAGLBSA-N 1 2 397.248 2.271 20 0 GEADLO C/C(Cl)=C\C[N@@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000528363340 650691119 /nfs/dbraw/zinc/69/11/19/650691119.db2.gz DKCYILWOZIFPNO-LHHJGKSTSA-N 1 2 386.901 2.297 20 0 GEADLO C/C(Cl)=C\C[N@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000528363340 650691121 /nfs/dbraw/zinc/69/11/21/650691121.db2.gz DKCYILWOZIFPNO-LHHJGKSTSA-N 1 2 386.901 2.297 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528535360 650695074 /nfs/dbraw/zinc/69/50/74/650695074.db2.gz GCCAEXHFTSPRCH-UHFFFAOYSA-N 1 2 388.917 2.224 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000486061375 650706846 /nfs/dbraw/zinc/70/68/46/650706846.db2.gz SEQRYUOJKLUKTP-CYBMUJFWSA-N 1 2 381.274 2.238 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1Br ZINC000486397629 650713054 /nfs/dbraw/zinc/71/30/54/650713054.db2.gz RRNIOMOBUUONGI-LBPRGKRZSA-N 1 2 379.258 2.406 20 0 GEADLO C[C@]1(c2ccc(Br)cc2)C[C@@]12NC(=O)N(CCn1cc[nH+]c1)C2=O ZINC000530190967 650717531 /nfs/dbraw/zinc/71/75/31/650717531.db2.gz WYEAKDAAOCRDME-SJORKVTESA-N 1 2 389.253 2.298 20 0 GEADLO CNC(=O)C[NH+]1CCN(c2cc(C)nc3c(F)cc(Br)cc23)CC1 ZINC000531014332 650733187 /nfs/dbraw/zinc/73/31/87/650733187.db2.gz UIAUFIDLDXGARZ-UHFFFAOYSA-N 1 2 395.276 2.313 20 0 GEADLO CC(C)(CNC(=O)NCc1cc(Br)ccc1F)[NH+]1CCOCC1 ZINC000042327750 642550705 /nfs/dbraw/zinc/55/07/05/642550705.db2.gz MNVXNAFGVUBMLC-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000042641490 642554392 /nfs/dbraw/zinc/55/43/92/642554392.db2.gz SVAZAWIHDDEJOK-KBPBESRZSA-N 1 2 387.571 2.184 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000043546458 642561422 /nfs/dbraw/zinc/56/14/22/642561422.db2.gz SZAWBFBUHSZGKZ-GXTWGEPZSA-N 1 2 386.543 2.026 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000043546458 642561431 /nfs/dbraw/zinc/56/14/31/642561431.db2.gz SZAWBFBUHSZGKZ-GXTWGEPZSA-N 1 2 386.543 2.026 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000046052257 642602781 /nfs/dbraw/zinc/60/27/81/642602781.db2.gz DFEMHOURTSKXFN-UHFFFAOYSA-N 1 2 396.329 2.465 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000046052257 642602784 /nfs/dbraw/zinc/60/27/84/642602784.db2.gz DFEMHOURTSKXFN-UHFFFAOYSA-N 1 2 396.329 2.465 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(SC)c(Cl)c2)CC1 ZINC000490206254 650770213 /nfs/dbraw/zinc/77/02/13/650770213.db2.gz HNOVZWPTWIVGCS-UHFFFAOYSA-N 1 2 385.917 2.181 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCCOc1cccc(Br)c1 ZINC000046886648 642619078 /nfs/dbraw/zinc/61/90/78/642619078.db2.gz WNHCWXLLGOPQMC-CQSZACIVSA-N 1 2 385.302 2.445 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)COc1ccc(Br)cc1Cl ZINC000046887525 642619090 /nfs/dbraw/zinc/61/90/90/642619090.db2.gz SRZQLZZOAUGSCX-LLVKDONJSA-N 1 2 391.693 2.318 20 0 GEADLO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000049934923 642672575 /nfs/dbraw/zinc/67/25/75/642672575.db2.gz DIOOUNDAVIBXKK-UHFFFAOYSA-N 1 2 379.869 2.101 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)CNC(=O)c2ccc(Br)o2)c1C ZINC000051463042 642696871 /nfs/dbraw/zinc/69/68/71/642696871.db2.gz KWNKCDOERWYIDG-UHFFFAOYSA-N 1 2 396.241 2.109 20 0 GEADLO CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534524699 650777033 /nfs/dbraw/zinc/77/70/33/650777033.db2.gz LHRJUHMUOIDVSI-HNNXBMFYSA-N 1 2 381.567 2.340 20 0 GEADLO O=S1(=O)CCC(C[NH+]2CCN(CCOc3ccccc3Cl)CC2)CC1 ZINC000534543546 650777181 /nfs/dbraw/zinc/77/71/81/650777181.db2.gz FZAKHWJOZYCRIR-UHFFFAOYSA-N 1 2 386.945 2.161 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000052134533 642710344 /nfs/dbraw/zinc/71/03/44/642710344.db2.gz HPYQIPLNZLVZBM-AWEZNQCLSA-N 1 2 387.933 2.381 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000052134533 642710348 /nfs/dbraw/zinc/71/03/48/642710348.db2.gz HPYQIPLNZLVZBM-AWEZNQCLSA-N 1 2 387.933 2.381 20 0 GEADLO Cc1csc(NC(=O)C2CC[NH+](CC(=O)N(C)CC(F)(F)F)CC2)n1 ZINC000054236646 642748662 /nfs/dbraw/zinc/74/86/62/642748662.db2.gz NNDHUSSUNUSFTL-UHFFFAOYSA-N 1 2 378.420 2.123 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000057872511 642819497 /nfs/dbraw/zinc/81/94/97/642819497.db2.gz LUNNIADOECAQDH-UHFFFAOYSA-N 1 2 382.313 2.145 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000057872511 642819501 /nfs/dbraw/zinc/81/95/01/642819501.db2.gz LUNNIADOECAQDH-UHFFFAOYSA-N 1 2 382.313 2.145 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000059323129 642830888 /nfs/dbraw/zinc/83/08/88/642830888.db2.gz CKNOGYNFPQJROD-ZFWWWQNUSA-N 1 2 381.464 2.178 20 0 GEADLO O=S1(=O)CCC[C@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000535956667 650792379 /nfs/dbraw/zinc/79/23/79/650792379.db2.gz NNZBLTMQZWJBEK-NSHDSACASA-N 1 2 375.281 2.241 20 0 GEADLO CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536015260 650794162 /nfs/dbraw/zinc/79/41/62/650794162.db2.gz GFWKXIYGQKPJIQ-ZBFHGGJFSA-N 1 2 381.567 2.340 20 0 GEADLO CCn1c(SC[C@@H](O)C[NH+]2CCOCC2)nnc1-c1ccc(Cl)cc1 ZINC000066238439 642902129 /nfs/dbraw/zinc/90/21/29/642902129.db2.gz XQBJNFGICHSHDY-HNNXBMFYSA-N 1 2 382.917 2.404 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCc2cc(Br)ccc2C1 ZINC000493959945 650799793 /nfs/dbraw/zinc/79/97/93/650799793.db2.gz IBMIMGUGNRTZKN-KRWDZBQOSA-N 1 2 394.313 2.380 20 0 GEADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCc2cc(Br)ccc2C1 ZINC000493959945 650799797 /nfs/dbraw/zinc/79/97/97/650799797.db2.gz IBMIMGUGNRTZKN-KRWDZBQOSA-N 1 2 394.313 2.380 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000536337622 650800893 /nfs/dbraw/zinc/80/08/93/650800893.db2.gz ZOIRWADEJVGGDU-LBPRGKRZSA-N 1 2 392.209 2.433 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000536337622 650800894 /nfs/dbraw/zinc/80/08/94/650800894.db2.gz ZOIRWADEJVGGDU-LBPRGKRZSA-N 1 2 392.209 2.433 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000067590124 642973180 /nfs/dbraw/zinc/97/31/80/642973180.db2.gz DXEGUBBDKRPIQE-OAHLLOKOSA-N 1 2 379.258 2.429 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000494142549 650801930 /nfs/dbraw/zinc/80/19/30/650801930.db2.gz WAYMQHUQYHRZJS-UHFFFAOYSA-N 1 2 379.258 2.041 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000494142549 650801931 /nfs/dbraw/zinc/80/19/31/650801931.db2.gz WAYMQHUQYHRZJS-UHFFFAOYSA-N 1 2 379.258 2.041 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000067927515 642981033 /nfs/dbraw/zinc/98/10/33/642981033.db2.gz RSPHPWDYYOZICV-NWDGAFQWSA-N 1 2 387.267 2.318 20 0 GEADLO CSc1ccc(Cl)c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000068507075 643004015 /nfs/dbraw/zinc/00/40/15/643004015.db2.gz CYYDOPATLKLJGT-UHFFFAOYSA-N 1 2 390.958 2.301 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 ZINC000068505504 643004121 /nfs/dbraw/zinc/00/41/21/643004121.db2.gz GQKRZUDRXAXKOW-UHFFFAOYSA-N 1 2 383.901 2.060 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000069148634 643021692 /nfs/dbraw/zinc/02/16/92/643021692.db2.gz VFHLOKAXQLBVBO-OAHLLOKOSA-N 1 2 385.555 2.104 20 0 GEADLO COc1ccc(Br)c(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000092529993 643071867 /nfs/dbraw/zinc/07/18/67/643071867.db2.gz JWHVAVDPGOTUBD-UHFFFAOYSA-N 1 2 391.331 2.314 20 0 GEADLO COCc1ccc(C[NH+]2CCN(c3ncc(Br)c(OC)n3)CC2)o1 ZINC000093079376 643075036 /nfs/dbraw/zinc/07/50/36/643075036.db2.gz HUWFQVOLQRZUBP-UHFFFAOYSA-N 1 2 397.273 2.309 20 0 GEADLO CCN(C1CC[NH+](Cc2cc(O)ccc2Br)CC1)S(C)(=O)=O ZINC000093320775 643076309 /nfs/dbraw/zinc/07/63/09/643076309.db2.gz YANZCONWLUJIPK-UHFFFAOYSA-N 1 2 391.331 2.401 20 0 GEADLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1c[nH]c2nccc(Cl)c12 ZINC000093927785 643085207 /nfs/dbraw/zinc/08/52/07/643085207.db2.gz WIAIPAPYMJDVPT-NSHDSACASA-N 1 2 377.857 2.169 20 0 GEADLO O=C(CC[C@H]1CCC[NH2+]1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000494633950 650813342 /nfs/dbraw/zinc/81/33/42/650813342.db2.gz BIPCJQUGZOUOIY-GFCCVEGCSA-N 1 2 380.495 2.415 20 0 GEADLO C[C@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)Cc2ccc(Cl)nc2)C[C@H](C)O1 ZINC000101574564 643109768 /nfs/dbraw/zinc/10/97/68/643109768.db2.gz VVKLZNFTQRZJME-DZKIICNBSA-N 1 2 387.933 2.138 20 0 GEADLO Cc1ccc([C@H](CNS(=O)(=O)c2c(C)nn(C)c2Cl)[NH+]2CCCC2)o1 ZINC000101580232 643111040 /nfs/dbraw/zinc/11/10/40/643111040.db2.gz DOBSBJDTQHQJRO-ZDUSSCGKSA-N 1 2 386.905 2.399 20 0 GEADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccccc2Br)CC1 ZINC000103494064 643168758 /nfs/dbraw/zinc/16/87/58/643168758.db2.gz YNXTZPKWNXTGAL-HNNXBMFYSA-N 1 2 398.345 2.108 20 0 GEADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC000103563101 643170116 /nfs/dbraw/zinc/17/01/16/643170116.db2.gz ZTGYPGWHYBDUBN-OAHLLOKOSA-N 1 2 398.345 2.108 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)cnc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000104599634 643186699 /nfs/dbraw/zinc/18/66/99/643186699.db2.gz OJFBQSUVZZUHRO-UWVGGRQHSA-N 1 2 376.682 2.337 20 0 GEADLO Cn1cnc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1Cl ZINC000104765799 643193445 /nfs/dbraw/zinc/19/34/45/643193445.db2.gz VMAMYYWSDUFVLQ-UHFFFAOYSA-N 1 2 382.917 2.359 20 0 GEADLO Cn1cnc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1Cl ZINC000104765799 643193448 /nfs/dbraw/zinc/19/34/48/643193448.db2.gz VMAMYYWSDUFVLQ-UHFFFAOYSA-N 1 2 382.917 2.359 20 0 GEADLO C[C@H](NC(=O)NCc1cc(F)cc(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000105170967 643200488 /nfs/dbraw/zinc/20/04/88/643200488.db2.gz BXBXDJMOWBKEIS-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3ccccc3Br)C2)CC1 ZINC000106548948 643233608 /nfs/dbraw/zinc/23/36/08/643233608.db2.gz GETOHULFNSPEQJ-INIZCTEOSA-N 1 2 395.345 2.371 20 0 GEADLO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000106829426 643240137 /nfs/dbraw/zinc/24/01/37/643240137.db2.gz JNPVCCOPLOLFOX-MRXNPFEDSA-N 1 2 384.929 2.103 20 0 GEADLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111305609 643332444 /nfs/dbraw/zinc/33/24/44/643332444.db2.gz QGDLBDZHICFCON-UKPHBRMFSA-N 1 2 384.929 2.163 20 0 GEADLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111305609 643332446 /nfs/dbraw/zinc/33/24/46/643332446.db2.gz QGDLBDZHICFCON-UKPHBRMFSA-N 1 2 384.929 2.163 20 0 GEADLO C[C@@H](CNC(=O)Cc1ccc(Cl)cc1Br)[NH+]1CCN(C)CC1 ZINC000113447791 643398378 /nfs/dbraw/zinc/39/83/78/643398378.db2.gz NVIPWNSFQJGBBW-LBPRGKRZSA-N 1 2 388.737 2.397 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)c3cc(I)c[nH]3)sc2C1 ZINC000115340757 643435642 /nfs/dbraw/zinc/43/56/42/643435642.db2.gz QFNMARTUZHELOU-UHFFFAOYSA-N 1 2 388.234 2.316 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)c3cc(I)c[nH]3)sc2C1 ZINC000115340757 643435643 /nfs/dbraw/zinc/43/56/43/643435643.db2.gz QFNMARTUZHELOU-UHFFFAOYSA-N 1 2 388.234 2.316 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000116890569 643473989 /nfs/dbraw/zinc/47/39/89/643473989.db2.gz XYWUWIWVHSHCBR-NSHDSACASA-N 1 2 397.722 2.105 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000116890569 643473994 /nfs/dbraw/zinc/47/39/94/643473994.db2.gz XYWUWIWVHSHCBR-NSHDSACASA-N 1 2 397.722 2.105 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2F)C[C@@H]1C ZINC000539773831 650849817 /nfs/dbraw/zinc/84/98/17/650849817.db2.gz OYIQWBSISZQXSE-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Br)cc2F)C[C@@H]1C ZINC000539773831 650849819 /nfs/dbraw/zinc/84/98/19/650849819.db2.gz OYIQWBSISZQXSE-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO COCCC[N@H+](Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000120121141 643593514 /nfs/dbraw/zinc/59/35/14/643593514.db2.gz SUELHXIIBUNJDX-ZDUSSCGKSA-N 1 2 381.416 2.453 20 0 GEADLO COCCC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000120121141 643593518 /nfs/dbraw/zinc/59/35/18/643593518.db2.gz SUELHXIIBUNJDX-ZDUSSCGKSA-N 1 2 381.416 2.453 20 0 GEADLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000539881025 650852429 /nfs/dbraw/zinc/85/24/29/650852429.db2.gz KSZHFSKHSRWPHX-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000539881025 650852432 /nfs/dbraw/zinc/85/24/32/650852432.db2.gz KSZHFSKHSRWPHX-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(I)c1 ZINC000539949311 650854849 /nfs/dbraw/zinc/85/48/49/650854849.db2.gz BFTSUSFLGRTDGX-WDEREUQCSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(I)c1 ZINC000539949311 650854850 /nfs/dbraw/zinc/85/48/50/650854850.db2.gz BFTSUSFLGRTDGX-WDEREUQCSA-N 1 2 394.278 2.004 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)sc1C ZINC000540217431 650860338 /nfs/dbraw/zinc/86/03/38/650860338.db2.gz PTJSETNTBXLMMB-IRXDYDNUSA-N 1 2 380.535 2.279 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)sc1C ZINC000540217431 650860343 /nfs/dbraw/zinc/86/03/43/650860343.db2.gz PTJSETNTBXLMMB-IRXDYDNUSA-N 1 2 380.535 2.279 20 0 GEADLO CN1CC[NH+](CCCCNS(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000127383338 643774379 /nfs/dbraw/zinc/77/43/79/643774379.db2.gz YHILSYZDZFNSFD-UHFFFAOYSA-N 1 2 386.370 2.361 20 0 GEADLO C[C@H](CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000127597841 643780385 /nfs/dbraw/zinc/78/03/85/643780385.db2.gz DZLBFZUXGPFTQT-RHSMWYFYSA-N 1 2 399.329 2.094 20 0 GEADLO O=C(c1cncc(I)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000128569044 643804536 /nfs/dbraw/zinc/80/45/36/643804536.db2.gz LAKOYWMMKUSGPB-CQSZACIVSA-N 1 2 395.200 2.375 20 0 GEADLO CC(=O)[C@H](NC(=O)C[NH2+][C@H](CCO)c1ccccc1Br)C(C)C ZINC000541022554 650869042 /nfs/dbraw/zinc/86/90/42/650869042.db2.gz IHHICGLZIVWTPI-NVXWUHKLSA-N 1 2 385.302 2.192 20 0 GEADLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000130595747 643844936 /nfs/dbraw/zinc/84/49/36/643844936.db2.gz XAQJJRWXFWKDJF-HNNXBMFYSA-N 1 2 396.329 2.398 20 0 GEADLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000130595747 643844943 /nfs/dbraw/zinc/84/49/43/643844943.db2.gz XAQJJRWXFWKDJF-HNNXBMFYSA-N 1 2 396.329 2.398 20 0 GEADLO O=S(=O)(NCC[NH2+]Cc1ncc(Br)s1)c1cccs1 ZINC000541065761 650870667 /nfs/dbraw/zinc/87/06/67/650870667.db2.gz XECRIEFQVQTOQT-UHFFFAOYSA-N 1 2 382.330 2.035 20 0 GEADLO O=c1n(C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)nc2cnccn21 ZINC000131426523 643873208 /nfs/dbraw/zinc/87/32/08/643873208.db2.gz PVSZLTCHQONFOW-HNNXBMFYSA-N 1 2 388.269 2.318 20 0 GEADLO O=c1n(C[N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)nc2cnccn21 ZINC000131426523 643873211 /nfs/dbraw/zinc/87/32/11/643873211.db2.gz PVSZLTCHQONFOW-HNNXBMFYSA-N 1 2 388.269 2.318 20 0 GEADLO O=C(NCCO)C1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000145601883 643925276 /nfs/dbraw/zinc/92/52/76/643925276.db2.gz WUXKULZLCDQIRC-UHFFFAOYSA-N 1 2 375.694 2.423 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC000541591033 650878460 /nfs/dbraw/zinc/87/84/60/650878460.db2.gz VAADWIHNXQRFPU-OAHLLOKOSA-N 1 2 394.317 2.140 20 0 GEADLO O=C(Nc1ccc(Br)cc1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000151396724 643942700 /nfs/dbraw/zinc/94/27/00/643942700.db2.gz YCUBSWPPGPZEIH-HNNXBMFYSA-N 1 2 390.237 2.463 20 0 GEADLO C[N@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000151710484 643951210 /nfs/dbraw/zinc/95/12/10/643951210.db2.gz APPONOMPRYWTEL-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO C[N@@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000151710484 643951218 /nfs/dbraw/zinc/95/12/18/643951218.db2.gz APPONOMPRYWTEL-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H](CNC(=O)c1cc(Br)c2c(c1)OCCO2)Cn1cc[nH+]c1 ZINC000153572992 643994502 /nfs/dbraw/zinc/99/45/02/643994502.db2.gz KLDAJWDMAMDIIB-NSHDSACASA-N 1 2 380.242 2.483 20 0 GEADLO CCOC(=O)c1ccc(N2CC([NH2+]Cc3ncc(Br)s3)C2)nc1 ZINC000542311746 650889793 /nfs/dbraw/zinc/88/97/93/650889793.db2.gz MENXHXMNPLXBJE-UHFFFAOYSA-N 1 2 397.298 2.456 20 0 GEADLO CS(=O)(=O)CC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C1CC1 ZINC000156512685 644100278 /nfs/dbraw/zinc/10/02/78/644100278.db2.gz KSCRTEGYTHSLEC-ZDUSSCGKSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)CC[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C1CC1 ZINC000156512685 644100280 /nfs/dbraw/zinc/10/02/80/644100280.db2.gz KSCRTEGYTHSLEC-ZDUSSCGKSA-N 1 2 382.309 2.242 20 0 GEADLO O=C(NCc1ccc(O)c(Br)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000156549440 644102544 /nfs/dbraw/zinc/10/25/44/644102544.db2.gz IWVONCVGJIEGCO-UHFFFAOYSA-N 1 2 383.286 2.416 20 0 GEADLO C[C@@H](OC[C@H](O)C[N@H+](CCS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000156863833 644121947 /nfs/dbraw/zinc/12/19/47/644121947.db2.gz RYBGTOFVHFRIEL-CXAGYDPISA-N 1 2 375.918 2.288 20 0 GEADLO C[C@@H](OC[C@H](O)C[N@@H+](CCS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000156863833 644121955 /nfs/dbraw/zinc/12/19/55/644121955.db2.gz RYBGTOFVHFRIEL-CXAGYDPISA-N 1 2 375.918 2.288 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCC[N@@H+](CCO)CC1 ZINC000158733468 644157499 /nfs/dbraw/zinc/15/74/99/644157499.db2.gz HKXNNVIZYBICIW-UHFFFAOYSA-N 1 2 386.823 2.048 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCC[N@H+](CCO)CC1 ZINC000158733468 644157502 /nfs/dbraw/zinc/15/75/02/644157502.db2.gz HKXNNVIZYBICIW-UHFFFAOYSA-N 1 2 386.823 2.048 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000159080580 644175230 /nfs/dbraw/zinc/17/52/30/644175230.db2.gz LVJIAAPGRFGCDT-UHFFFAOYSA-N 1 2 387.322 2.040 20 0 GEADLO NC(=O)[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cccc(Br)c1 ZINC000162094094 644231606 /nfs/dbraw/zinc/23/16/06/644231606.db2.gz RYTAKIUWLJLUNS-JKSUJKDBSA-N 1 2 388.265 2.371 20 0 GEADLO Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1I ZINC000171095862 644307897 /nfs/dbraw/zinc/30/78/97/644307897.db2.gz IEGGFBRYTFNFPC-GFCCVEGCSA-N 1 2 388.249 2.050 20 0 GEADLO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000171754440 644331835 /nfs/dbraw/zinc/33/18/35/644331835.db2.gz WDOXWJFZAMLGSM-UHFFFAOYSA-N 1 2 384.889 2.065 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CCO1 ZINC000172617667 644341822 /nfs/dbraw/zinc/34/18/22/644341822.db2.gz VUPNIDFYAZFZEQ-CQSZACIVSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CCO1 ZINC000172617667 644341825 /nfs/dbraw/zinc/34/18/25/644341825.db2.gz VUPNIDFYAZFZEQ-CQSZACIVSA-N 1 2 390.311 2.437 20 0 GEADLO Cc1nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000174670662 644380401 /nfs/dbraw/zinc/38/04/01/644380401.db2.gz RJBSGQWYUZEFFC-UHFFFAOYSA-N 1 2 397.298 2.058 20 0 GEADLO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCCc2[nH]cc[nH+]2)ccc1Cl ZINC000174753813 644380924 /nfs/dbraw/zinc/38/09/24/644380924.db2.gz XKSCXBYYAOOGAF-UHFFFAOYSA-N 1 2 384.889 2.112 20 0 GEADLO COCC[NH+]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)CC1 ZINC000543659026 650917608 /nfs/dbraw/zinc/91/76/08/650917608.db2.gz YERKJOJECZGEQU-UHFFFAOYSA-N 1 2 381.889 2.076 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000180573423 644508834 /nfs/dbraw/zinc/50/88/34/644508834.db2.gz SSYGTDPIAJMHSA-UHFFFAOYSA-N 1 2 375.847 2.238 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000180573423 644508837 /nfs/dbraw/zinc/50/88/37/644508837.db2.gz SSYGTDPIAJMHSA-UHFFFAOYSA-N 1 2 375.847 2.238 20 0 GEADLO CS[C@@H](CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(C)(C)C ZINC000544138425 650935743 /nfs/dbraw/zinc/93/57/43/650935743.db2.gz LLZUYHIIMLPFBD-WMLDXEAASA-N 1 2 375.604 2.271 20 0 GEADLO COc1cc(/C=C/C(=O)N[C@H](C)C[NH+]2CCOCC2)cc(Br)c1O ZINC000183408852 644992476 /nfs/dbraw/zinc/99/24/76/644992476.db2.gz NRBWZSPCUGOVAS-AAOUONPWSA-N 1 2 399.285 2.013 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2scnc2C2CCCC2)CC1 ZINC000184793658 645026686 /nfs/dbraw/zinc/02/66/86/645026686.db2.gz PYPNWLKTAYSDHR-UHFFFAOYSA-N 1 2 385.555 2.040 20 0 GEADLO Cc1nc(N2CCN(C(=O)c3[nH]nc(C(C)C)c3Br)CC2)cc[nH+]1 ZINC000185449828 645046129 /nfs/dbraw/zinc/04/61/29/645046129.db2.gz GHDBKSNZEUOMKZ-UHFFFAOYSA-N 1 2 393.289 2.356 20 0 GEADLO Cc1ccc(Br)c(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)c1 ZINC000188127353 645109540 /nfs/dbraw/zinc/10/95/40/645109540.db2.gz OWKZBKMRKYEESM-UHFFFAOYSA-N 1 2 399.636 2.064 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1CC(C)(C)O ZINC000188801370 645126574 /nfs/dbraw/zinc/12/65/74/645126574.db2.gz FIHNHYLANWLKGW-LBPRGKRZSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[N@H+]1CC(C)(C)O ZINC000188801370 645126577 /nfs/dbraw/zinc/12/65/77/645126577.db2.gz FIHNHYLANWLKGW-LBPRGKRZSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188804608 645126609 /nfs/dbraw/zinc/12/66/09/645126609.db2.gz BROWDBLHCCAIQV-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[N@H+]1CC(C)(C)O ZINC000188804608 645126611 /nfs/dbraw/zinc/12/66/11/645126611.db2.gz BROWDBLHCCAIQV-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO CC(C)OC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Br)cc2)CCO1 ZINC000546030987 650988394 /nfs/dbraw/zinc/98/83/94/650988394.db2.gz JHZWPRACSYKTBP-WBVHZDCISA-N 1 2 388.302 2.315 20 0 GEADLO CC(C)OC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)CCO1 ZINC000546030987 650988398 /nfs/dbraw/zinc/98/83/98/650988398.db2.gz JHZWPRACSYKTBP-WBVHZDCISA-N 1 2 388.302 2.315 20 0 GEADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)c3cc(Cl)c(Cl)[nH]3)CC2)cc1 ZINC000192586558 645212628 /nfs/dbraw/zinc/21/26/28/645212628.db2.gz AQJISIXYLCBVCM-UHFFFAOYSA-N 1 2 381.263 2.378 20 0 GEADLO C[N@H+](CCCc1c(Cl)cccc1Cl)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000193240195 645254731 /nfs/dbraw/zinc/25/47/31/645254731.db2.gz CWVSAPAMMATLCY-LBPRGKRZSA-N 1 2 393.336 2.161 20 0 GEADLO C[N@@H+](CCCc1c(Cl)cccc1Cl)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000193240195 645254738 /nfs/dbraw/zinc/25/47/38/645254738.db2.gz CWVSAPAMMATLCY-LBPRGKRZSA-N 1 2 393.336 2.161 20 0 GEADLO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCN(c2cccc[nH+]2)CC1 ZINC000193424321 645272133 /nfs/dbraw/zinc/27/21/33/645272133.db2.gz GVUNBJRYRBSOMX-INIZCTEOSA-N 1 2 388.265 2.496 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)CCc1c[nH+]cn1C ZINC000193724631 645293632 /nfs/dbraw/zinc/29/36/32/645293632.db2.gz SLXSOWQBPZOTMU-MRXNPFEDSA-N 1 2 394.269 2.488 20 0 GEADLO Cc1c(C(=O)NC[C@H]2C[N@H+](C)CCO2)cnn1-c1ccc(Br)cc1 ZINC000194621140 645337945 /nfs/dbraw/zinc/33/79/45/645337945.db2.gz ZGSZROVXAOIJJC-HNNXBMFYSA-N 1 2 393.285 2.004 20 0 GEADLO Cc1c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cnn1-c1ccc(Br)cc1 ZINC000194621140 645337951 /nfs/dbraw/zinc/33/79/51/645337951.db2.gz ZGSZROVXAOIJJC-HNNXBMFYSA-N 1 2 393.285 2.004 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(I)c(O)c1 ZINC000230894472 645401290 /nfs/dbraw/zinc/40/12/90/645401290.db2.gz RLFHPQYATMBTCG-UHFFFAOYSA-N 1 2 385.205 2.404 20 0 GEADLO C[N@H+](C[C@H](O)COc1ccccc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245544055 645460372 /nfs/dbraw/zinc/46/03/72/645460372.db2.gz TZNMILLXRNOPFO-DOTOQJQBSA-N 1 2 393.281 2.347 20 0 GEADLO C[N@@H+](C[C@H](O)COc1ccccc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245544055 645460379 /nfs/dbraw/zinc/46/03/79/645460379.db2.gz TZNMILLXRNOPFO-DOTOQJQBSA-N 1 2 393.281 2.347 20 0 GEADLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000245598009 645461544 /nfs/dbraw/zinc/46/15/44/645461544.db2.gz HZNVYFHBMDHSPU-DAXOMENPSA-N 1 2 383.286 2.068 20 0 GEADLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000245598009 645461548 /nfs/dbraw/zinc/46/15/48/645461548.db2.gz HZNVYFHBMDHSPU-DAXOMENPSA-N 1 2 383.286 2.068 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000245790587 645469553 /nfs/dbraw/zinc/46/95/53/645469553.db2.gz NRCZLLBEZXVSKA-IRXDYDNUSA-N 1 2 396.329 2.162 20 0 GEADLO C[C@@H]1CCN(Cn2nc(N3CCOCC3)sc2=S)C[C@H]1n1cc[nH+]c1 ZINC000246548970 645485089 /nfs/dbraw/zinc/48/50/89/645485089.db2.gz KCGBFRNMJJKNMO-ZIAGYGMSSA-N 1 2 380.543 2.248 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCCC[C@@H](SC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246789227 645494685 /nfs/dbraw/zinc/49/46/85/645494685.db2.gz MFCDLYPJACWDJR-HRCADAONSA-N 1 2 376.588 2.018 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCCC[C@@H](SC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246789227 645494691 /nfs/dbraw/zinc/49/46/91/645494691.db2.gz MFCDLYPJACWDJR-HRCADAONSA-N 1 2 376.588 2.018 20 0 GEADLO CCN(C(=O)C[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000247060430 645503363 /nfs/dbraw/zinc/50/33/63/645503363.db2.gz XLWIISNPGZJXTR-PBHICJAKSA-N 1 2 386.945 2.238 20 0 GEADLO CCN(C(=O)C[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000247060430 645503367 /nfs/dbraw/zinc/50/33/67/645503367.db2.gz XLWIISNPGZJXTR-PBHICJAKSA-N 1 2 386.945 2.238 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1C(F)(F)F ZINC000249189457 645548443 /nfs/dbraw/zinc/54/84/43/645548443.db2.gz OYCWOSPSPDATEB-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1C(F)(F)F ZINC000249189457 645548452 /nfs/dbraw/zinc/54/84/52/645548452.db2.gz OYCWOSPSPDATEB-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O)c1ccc(Br)cc1 ZINC000249556111 645556686 /nfs/dbraw/zinc/55/66/86/645556686.db2.gz JTZJBHZQZNMNHG-JMSVASOKSA-N 1 2 382.302 2.212 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O)c1ccc(Br)cc1 ZINC000249556111 645556692 /nfs/dbraw/zinc/55/66/92/645556692.db2.gz JTZJBHZQZNMNHG-JMSVASOKSA-N 1 2 382.302 2.212 20 0 GEADLO C[N@@H+]1CCc2ncnc(NCc3cc(Br)cc4c3OCC4)c2C1 ZINC000547319711 651022250 /nfs/dbraw/zinc/02/22/50/651022250.db2.gz REGALQJCXIUIQG-UHFFFAOYSA-N 1 2 375.270 2.774 20 0 GEADLO C[N@H+]1CCc2ncnc(NCc3cc(Br)cc4c3OCC4)c2C1 ZINC000547319711 651022252 /nfs/dbraw/zinc/02/22/52/651022252.db2.gz REGALQJCXIUIQG-UHFFFAOYSA-N 1 2 375.270 2.774 20 0 GEADLO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000249838665 645561316 /nfs/dbraw/zinc/56/13/16/645561316.db2.gz FSRAOEKHULIGAS-OLZOCXBDSA-N 1 2 387.343 2.455 20 0 GEADLO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000249838665 645561320 /nfs/dbraw/zinc/56/13/20/645561320.db2.gz FSRAOEKHULIGAS-OLZOCXBDSA-N 1 2 387.343 2.455 20 0 GEADLO COc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)sc1Br ZINC000253203591 645569023 /nfs/dbraw/zinc/56/90/23/645569023.db2.gz HGYGZJSXMSTBFW-UWVGGRQHSA-N 1 2 377.304 2.046 20 0 GEADLO COc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)sc1Br ZINC000253203591 645569030 /nfs/dbraw/zinc/56/90/30/645569030.db2.gz HGYGZJSXMSTBFW-UWVGGRQHSA-N 1 2 377.304 2.046 20 0 GEADLO O=S(=O)(c1cccc2nonc21)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261695769 645594585 /nfs/dbraw/zinc/59/45/85/645594585.db2.gz KYAIHVUAHZCBDH-CQSZACIVSA-N 1 2 378.841 2.211 20 0 GEADLO Cc1cc(Br)oc1C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261702651 645595455 /nfs/dbraw/zinc/59/54/55/645595455.db2.gz JJHARCJUHAYAJV-UHFFFAOYSA-N 1 2 394.273 2.065 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cnc3n2CCC3)[C@H]1c1ccc(Cl)cc1 ZINC000547474254 651028305 /nfs/dbraw/zinc/02/83/05/651028305.db2.gz SGWFRHBCHOGHHK-WMLDXEAASA-N 1 2 380.901 2.206 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cnc3n2CCC3)[C@H]1c1ccc(Cl)cc1 ZINC000547474254 651028307 /nfs/dbraw/zinc/02/83/07/651028307.db2.gz SGWFRHBCHOGHHK-WMLDXEAASA-N 1 2 380.901 2.206 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc(Br)ccc1F ZINC000264325902 645675019 /nfs/dbraw/zinc/67/50/19/645675019.db2.gz RPYKPSBLRZJFHD-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO C[N@H+](CCN1CCOCC1)Cc1nnc(-c2ccccc2Br)o1 ZINC000264871156 645725589 /nfs/dbraw/zinc/72/55/89/645725589.db2.gz RTJMCMOECJQCHK-UHFFFAOYSA-N 1 2 381.274 2.263 20 0 GEADLO C[N@@H+](CCN1CCOCC1)Cc1nnc(-c2ccccc2Br)o1 ZINC000264871156 645725592 /nfs/dbraw/zinc/72/55/92/645725592.db2.gz RTJMCMOECJQCHK-UHFFFAOYSA-N 1 2 381.274 2.263 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2csc(Br)c2)CC1 ZINC000266970116 645868854 /nfs/dbraw/zinc/86/88/54/645868854.db2.gz WLENRXUCPSOLEH-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)c(Cl)cc1Cl ZINC000267056862 645876858 /nfs/dbraw/zinc/87/68/58/645876858.db2.gz ORFRZNWOKWUEQZ-VIFPVBQESA-N 1 2 392.264 2.344 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000268017970 645939536 /nfs/dbraw/zinc/93/95/36/645939536.db2.gz AZDUBSVZACCHOQ-LBPRGKRZSA-N 1 2 383.857 2.418 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000268223881 645955842 /nfs/dbraw/zinc/95/58/42/645955842.db2.gz SXJZOMAHPOVVMW-UHFFFAOYSA-N 1 2 387.255 2.069 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000270499588 646111837 /nfs/dbraw/zinc/11/18/37/646111837.db2.gz PMIAIRMKXJYXCU-LBPRGKRZSA-N 1 2 376.463 2.038 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000270499588 646111840 /nfs/dbraw/zinc/11/18/40/646111840.db2.gz PMIAIRMKXJYXCU-LBPRGKRZSA-N 1 2 376.463 2.038 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)Cn2cc(Br)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270706879 646130304 /nfs/dbraw/zinc/13/03/04/646130304.db2.gz NMFMRMWLQCRCKC-ZBFHGGJFSA-N 1 2 399.239 2.485 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)Cn2cc(Br)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270706879 646130310 /nfs/dbraw/zinc/13/03/10/646130310.db2.gz NMFMRMWLQCRCKC-ZBFHGGJFSA-N 1 2 399.239 2.485 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270775356 646137568 /nfs/dbraw/zinc/13/75/68/646137568.db2.gz SNHCNRNJQQUWIU-WCBMZHEXSA-N 1 2 378.782 2.428 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270775356 646137572 /nfs/dbraw/zinc/13/75/72/646137572.db2.gz SNHCNRNJQQUWIU-WCBMZHEXSA-N 1 2 378.782 2.428 20 0 GEADLO Cc1nn2c(C[N@@H+](C)[C@H](C)c3cccc(S(N)(=O)=O)c3)c(C)nc2s1 ZINC000271209539 646180144 /nfs/dbraw/zinc/18/01/44/646180144.db2.gz UMEJISCKTGYJLO-LLVKDONJSA-N 1 2 379.511 2.248 20 0 GEADLO Cc1nn2c(C[N@H+](C)[C@H](C)c3cccc(S(N)(=O)=O)c3)c(C)nc2s1 ZINC000271209539 646180151 /nfs/dbraw/zinc/18/01/51/646180151.db2.gz UMEJISCKTGYJLO-LLVKDONJSA-N 1 2 379.511 2.248 20 0 GEADLO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)[C@@H]2C1 ZINC000272553299 646277637 /nfs/dbraw/zinc/27/76/37/646277637.db2.gz DDXZGDHUQLDVKS-BXUZGUMPSA-N 1 2 376.400 2.146 20 0 GEADLO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)[C@@H]2C1 ZINC000272553299 646277643 /nfs/dbraw/zinc/27/76/43/646277643.db2.gz DDXZGDHUQLDVKS-BXUZGUMPSA-N 1 2 376.400 2.146 20 0 GEADLO COC(C[N@H+](CCCO)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)OC ZINC000272763614 646285072 /nfs/dbraw/zinc/28/50/72/646285072.db2.gz QXYYNLWIXRBUKI-LBPRGKRZSA-N 1 2 393.311 2.474 20 0 GEADLO COC(C[N@@H+](CCCO)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)OC ZINC000272763614 646285074 /nfs/dbraw/zinc/28/50/74/646285074.db2.gz QXYYNLWIXRBUKI-LBPRGKRZSA-N 1 2 393.311 2.474 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cnc1Br ZINC000272786006 646286804 /nfs/dbraw/zinc/28/68/04/646286804.db2.gz AJXLHGSJQCTYDW-LLVKDONJSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCn3cc[nH+]c3)nc12 ZINC000273213122 646309836 /nfs/dbraw/zinc/30/98/36/646309836.db2.gz AVLXGDKBMDQFCY-UHFFFAOYSA-N 1 2 391.273 2.144 20 0 GEADLO Cc1cc(Br)cn2c(CN(CCS(C)(=O)=O)C3CC3)c[nH+]c12 ZINC000273224386 646311043 /nfs/dbraw/zinc/31/10/43/646311043.db2.gz VVBSGALARMHTPU-UHFFFAOYSA-N 1 2 386.315 2.414 20 0 GEADLO CC(=O)N1CCC[C@@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273399493 646315190 /nfs/dbraw/zinc/31/51/90/646315190.db2.gz MTISRWKNPTTWSE-OAHLLOKOSA-N 1 2 393.285 2.075 20 0 GEADLO CCN(C)C(=O)C[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000274784745 646330846 /nfs/dbraw/zinc/33/08/46/646330846.db2.gz LYMRLAQDWZTGFA-NSHDSACASA-N 1 2 380.290 2.467 20 0 GEADLO O=C(c1ccsc1)N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000277443778 646421483 /nfs/dbraw/zinc/42/14/83/646421483.db2.gz MUAUNTQCHXURNU-UHFFFAOYSA-N 1 2 375.523 2.054 20 0 GEADLO O=C(c1ccsc1)N1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000277443778 646421489 /nfs/dbraw/zinc/42/14/89/646421489.db2.gz MUAUNTQCHXURNU-UHFFFAOYSA-N 1 2 375.523 2.054 20 0 GEADLO C[C@@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCS1(=O)=O ZINC000277653994 646458711 /nfs/dbraw/zinc/45/87/11/646458711.db2.gz NFKPBUDQLOUCHM-CYBMUJFWSA-N 1 2 386.543 2.170 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000278266003 646508011 /nfs/dbraw/zinc/50/80/11/646508011.db2.gz IRNOBRDQMPDCOR-KGLIPLIRSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000278266003 646508012 /nfs/dbraw/zinc/50/80/12/646508012.db2.gz IRNOBRDQMPDCOR-KGLIPLIRSA-N 1 2 376.266 2.434 20 0 GEADLO Cn1cnc(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1Cl ZINC000278601706 646529676 /nfs/dbraw/zinc/52/96/76/646529676.db2.gz CCMXZGGHXZXESD-UHFFFAOYSA-N 1 2 383.905 2.175 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(F)cc1Br ZINC000278676290 646537898 /nfs/dbraw/zinc/53/78/98/646537898.db2.gz AUUYTDJGTKZXOC-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO CC(C)[NH+]1CC(NC(=O)c2ccnc(Cl)c2I)C1 ZINC000278749122 646545635 /nfs/dbraw/zinc/54/56/35/646545635.db2.gz WQCCIUQCNPNLGN-UHFFFAOYSA-N 1 2 379.629 2.162 20 0 GEADLO Cc1c(Cl)c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)sc1S(N)(=O)=O ZINC000279160061 646581030 /nfs/dbraw/zinc/58/10/30/646581030.db2.gz GCRPTSSXCNOCBR-UHFFFAOYSA-N 1 2 388.902 2.100 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c(Cl)c1OC ZINC000279335876 646592814 /nfs/dbraw/zinc/59/28/14/646592814.db2.gz DQOROWHWWRFXEA-AWEZNQCLSA-N 1 2 388.917 2.357 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c(Cl)c1OC ZINC000279335876 646592816 /nfs/dbraw/zinc/59/28/16/646592816.db2.gz DQOROWHWWRFXEA-AWEZNQCLSA-N 1 2 388.917 2.357 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(I)c1 ZINC000279421944 646600330 /nfs/dbraw/zinc/60/03/30/646600330.db2.gz XZWXNIKHXAPGGE-LBPRGKRZSA-N 1 2 388.249 2.084 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000279447896 646602893 /nfs/dbraw/zinc/60/28/93/646602893.db2.gz PURPWFRGEXIDTI-CYBMUJFWSA-N 1 2 378.416 2.427 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000279447896 646602897 /nfs/dbraw/zinc/60/28/97/646602897.db2.gz PURPWFRGEXIDTI-CYBMUJFWSA-N 1 2 378.416 2.427 20 0 GEADLO C[C@H](CS(C)(=O)=O)[NH2+]Cc1c(F)ccc(I)c1F ZINC000279534962 646608492 /nfs/dbraw/zinc/60/84/92/646608492.db2.gz AASUPHQBRNIKBH-SSDOTTSWSA-N 1 2 389.205 2.092 20 0 GEADLO Cc1nn2c(nc(C)c2C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)s1 ZINC000279652436 646618800 /nfs/dbraw/zinc/61/88/00/646618800.db2.gz KSCAMBXCIMPUOV-ZDUSSCGKSA-N 1 2 394.298 2.486 20 0 GEADLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1Cl ZINC000280316015 646670731 /nfs/dbraw/zinc/67/07/31/646670731.db2.gz OWTWTNLKABSDIN-CQSZACIVSA-N 1 2 384.889 2.360 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000280669058 646703985 /nfs/dbraw/zinc/70/39/85/646703985.db2.gz BGZNDHMQSSZULR-SECBINFHSA-N 1 2 383.461 2.443 20 0 GEADLO Cc1ccc([C@H]([NH2+]CC(=O)NCc2cccs2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280805328 646718946 /nfs/dbraw/zinc/71/89/46/646718946.db2.gz LFUJMTYPKHIGGM-KBXCAEBGSA-N 1 2 380.535 2.437 20 0 GEADLO C[C@]1(C(N)=O)CC[N@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000280836237 646723141 /nfs/dbraw/zinc/72/31/41/646723141.db2.gz WQEANUACXSVVFM-INIZCTEOSA-N 1 2 379.258 2.120 20 0 GEADLO C[C@]1(C(N)=O)CC[N@@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000280836237 646723149 /nfs/dbraw/zinc/72/31/49/646723149.db2.gz WQEANUACXSVVFM-INIZCTEOSA-N 1 2 379.258 2.120 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](OCc2ccncc2)C1)Nc1ccc(Br)cn1 ZINC000281087798 646744709 /nfs/dbraw/zinc/74/47/09/646744709.db2.gz VBEWDJNLOAHRQJ-OAHLLOKOSA-N 1 2 391.269 2.469 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](OCc2ccncc2)C1)Nc1ccc(Br)cn1 ZINC000281087798 646744711 /nfs/dbraw/zinc/74/47/11/646744711.db2.gz VBEWDJNLOAHRQJ-OAHLLOKOSA-N 1 2 391.269 2.469 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281275282 646757739 /nfs/dbraw/zinc/75/77/39/646757739.db2.gz FYTGLKNLNZVTON-GYSYKLTISA-N 1 2 382.258 2.206 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281275282 646757741 /nfs/dbraw/zinc/75/77/41/646757741.db2.gz FYTGLKNLNZVTON-GYSYKLTISA-N 1 2 382.258 2.206 20 0 GEADLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(SCC(=O)NC)c2c1C ZINC000281578171 646784285 /nfs/dbraw/zinc/78/42/85/646784285.db2.gz DCNWOMWSFGJVQJ-UHFFFAOYSA-N 1 2 382.511 2.076 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000281656706 646786585 /nfs/dbraw/zinc/78/65/85/646786585.db2.gz NFMAZGYLVXKXSK-LBPRGKRZSA-N 1 2 380.341 2.155 20 0 GEADLO COc1ccc(Br)cc1CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000285987400 646863782 /nfs/dbraw/zinc/86/37/82/646863782.db2.gz XNJJWDXHFSSVMW-CZUORRHYSA-N 1 2 397.313 2.322 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(F)cc1Br ZINC000285991476 646864424 /nfs/dbraw/zinc/86/44/24/646864424.db2.gz XUKINBJUXWRDCV-SWLSCSKDSA-N 1 2 385.277 2.452 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000290211333 647172522 /nfs/dbraw/zinc/17/25/22/647172522.db2.gz IVNZFEQHEDGGIM-NXEZZACHSA-N 1 2 382.814 2.089 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cnc(Cl)c(Br)c1 ZINC000297855864 647267280 /nfs/dbraw/zinc/26/72/80/647267280.db2.gz SJHFQMOYCKPEEU-ZYHUDNBSSA-N 1 2 388.693 2.433 20 0 GEADLO CN(C1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1)S(C)(=O)=O ZINC000299380129 647273031 /nfs/dbraw/zinc/27/30/31/647273031.db2.gz MDLLLUPTRLUPPV-UHFFFAOYSA-N 1 2 388.917 2.357 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000330718658 647348759 /nfs/dbraw/zinc/34/87/59/647348759.db2.gz DTDDRQLRJGBAMG-BETUJISGSA-N 1 2 376.906 2.126 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000330718658 647348762 /nfs/dbraw/zinc/34/87/62/647348762.db2.gz DTDDRQLRJGBAMG-BETUJISGSA-N 1 2 376.906 2.126 20 0 GEADLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CCS1 ZINC000330922362 647359326 /nfs/dbraw/zinc/35/93/26/647359326.db2.gz BINZBKQFKFVVIO-OAHLLOKOSA-N 1 2 385.555 2.011 20 0 GEADLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CCS1 ZINC000330922362 647359328 /nfs/dbraw/zinc/35/93/28/647359328.db2.gz BINZBKQFKFVVIO-OAHLLOKOSA-N 1 2 385.555 2.011 20 0 GEADLO C[N@@H+]1CCO[C@H](c2nc(-c3csc(I)c3)no2)C1 ZINC000331516379 647389172 /nfs/dbraw/zinc/38/91/72/647389172.db2.gz DKTCGSLTNNZKEN-QMMMGPOBSA-N 1 2 377.207 2.406 20 0 GEADLO C[N@H+]1CCO[C@H](c2nc(-c3csc(I)c3)no2)C1 ZINC000331516379 647389176 /nfs/dbraw/zinc/38/91/76/647389176.db2.gz DKTCGSLTNNZKEN-QMMMGPOBSA-N 1 2 377.207 2.406 20 0 GEADLO COc1c(C)c[nH+]c(CSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)c1C ZINC000331885259 647401722 /nfs/dbraw/zinc/40/17/22/647401722.db2.gz GWYLEUZMFYWDRP-GFCCVEGCSA-N 1 2 382.511 2.030 20 0 GEADLO O=S(=O)(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)cn1 ZINC000332573187 647447644 /nfs/dbraw/zinc/44/76/44/647447644.db2.gz ZQIGTXJSWMOTLN-UHFFFAOYSA-N 1 2 397.298 2.186 20 0 GEADLO O=C(CSc1cccc(Br)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000361071328 647559390 /nfs/dbraw/zinc/55/93/90/647559390.db2.gz USGQDFYBEPFIRM-AWEZNQCLSA-N 1 2 385.327 2.474 20 0 GEADLO COC(=O)CNC(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000363048425 647581029 /nfs/dbraw/zinc/58/10/29/647581029.db2.gz OFMZLBVLKBPLOO-UHFFFAOYSA-N 1 2 387.263 2.177 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000363805826 647609121 /nfs/dbraw/zinc/60/91/21/647609121.db2.gz TUYXLAUMZFBYHB-HNNXBMFYSA-N 1 2 380.286 2.374 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000363805826 647609127 /nfs/dbraw/zinc/60/91/27/647609127.db2.gz TUYXLAUMZFBYHB-HNNXBMFYSA-N 1 2 380.286 2.374 20 0 GEADLO O=S(=O)(c1ccc2nc(Cl)cnc2c1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365076929 647657025 /nfs/dbraw/zinc/65/70/25/647657025.db2.gz JUWNISOSJHGKGN-LBPRGKRZSA-N 1 2 398.941 2.095 20 0 GEADLO C[S@@](=O)Cc1cccc(C(=O)NC2CC[NH+](Cc3cscn3)CC2)c1 ZINC000365113191 647659824 /nfs/dbraw/zinc/65/98/24/647659824.db2.gz ASZSONXIWFFBER-RUZDIDTESA-N 1 2 377.535 2.416 20 0 GEADLO O=C(CNc1cc(N2CCSCC2)nc[nH+]1)N1CCc2sccc2C1 ZINC000365457658 647670345 /nfs/dbraw/zinc/67/03/45/647670345.db2.gz CUJAPAPGXQRMFG-UHFFFAOYSA-N 1 2 375.523 2.088 20 0 GEADLO O=C(CNc1cc(N2CCSCC2)[nH+]cn1)N1CCc2sccc2C1 ZINC000365457658 647670347 /nfs/dbraw/zinc/67/03/47/647670347.db2.gz CUJAPAPGXQRMFG-UHFFFAOYSA-N 1 2 375.523 2.088 20 0 GEADLO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H]1c1cccc(Cl)c1 ZINC000365477303 647672649 /nfs/dbraw/zinc/67/26/49/647672649.db2.gz HXEFKJGJSLTDFL-VYDXJSESSA-N 1 2 384.929 2.274 20 0 GEADLO C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H]1c1cccc(Cl)c1 ZINC000365477303 647672653 /nfs/dbraw/zinc/67/26/53/647672653.db2.gz HXEFKJGJSLTDFL-VYDXJSESSA-N 1 2 384.929 2.274 20 0 GEADLO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365756975 647686167 /nfs/dbraw/zinc/68/61/67/647686167.db2.gz GHROSQANVJFOOV-AEGPPILISA-N 1 2 383.286 2.038 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000366104777 647693153 /nfs/dbraw/zinc/69/31/53/647693153.db2.gz RHCIZIGWVVAGEP-INIZCTEOSA-N 1 2 386.901 2.206 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000366104777 647693158 /nfs/dbraw/zinc/69/31/58/647693158.db2.gz RHCIZIGWVVAGEP-INIZCTEOSA-N 1 2 386.901 2.206 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccccc1C(F)(F)F ZINC000367089556 647719416 /nfs/dbraw/zinc/71/94/16/647719416.db2.gz MHZXKSBSFDHCQK-QWHCGFSZSA-N 1 2 378.416 2.237 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccccc1C(F)(F)F ZINC000367089556 647719421 /nfs/dbraw/zinc/71/94/21/647719421.db2.gz MHZXKSBSFDHCQK-QWHCGFSZSA-N 1 2 378.416 2.237 20 0 GEADLO CCN(Cc1nnc(S(C)(=O)=O)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367567384 647739001 /nfs/dbraw/zinc/73/90/01/647739001.db2.gz WIHVJXJFFZDDCK-HNNXBMFYSA-N 1 2 380.539 2.038 20 0 GEADLO CCN(Cc1nnc(S(C)(=O)=O)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367567384 647739007 /nfs/dbraw/zinc/73/90/07/647739007.db2.gz WIHVJXJFFZDDCK-HNNXBMFYSA-N 1 2 380.539 2.038 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000368081171 647749753 /nfs/dbraw/zinc/74/97/53/647749753.db2.gz BSGXUPMOTBCJEL-NXEZZACHSA-N 1 2 375.778 2.365 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000368081171 647749761 /nfs/dbraw/zinc/74/97/61/647749761.db2.gz BSGXUPMOTBCJEL-NXEZZACHSA-N 1 2 375.778 2.365 20 0 GEADLO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368175405 647752783 /nfs/dbraw/zinc/75/27/83/647752783.db2.gz APQGJKIXQMYXAS-HZPDHXFCSA-N 1 2 388.295 2.189 20 0 GEADLO O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368175405 647752789 /nfs/dbraw/zinc/75/27/89/647752789.db2.gz APQGJKIXQMYXAS-HZPDHXFCSA-N 1 2 388.295 2.189 20 0 GEADLO C[C@](O)(C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000368686292 647764716 /nfs/dbraw/zinc/76/47/16/647764716.db2.gz FFUNNRDFNVYTHY-RDJZCZTQSA-N 1 2 383.901 2.095 20 0 GEADLO C[C@](O)(C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000368686292 647764720 /nfs/dbraw/zinc/76/47/20/647764720.db2.gz FFUNNRDFNVYTHY-RDJZCZTQSA-N 1 2 383.901 2.095 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([N@H+](C)Cc3noc(C)n3)CC2)s1 ZINC000373680142 647816332 /nfs/dbraw/zinc/81/63/32/647816332.db2.gz IKZLBMWWNCADRB-CQSZACIVSA-N 1 2 384.527 2.423 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([N@@H+](C)Cc3noc(C)n3)CC2)s1 ZINC000373680142 647816334 /nfs/dbraw/zinc/81/63/34/647816334.db2.gz IKZLBMWWNCADRB-CQSZACIVSA-N 1 2 384.527 2.423 20 0 GEADLO O=C1N[C@H]2C[N@H+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@@H]2CO1 ZINC000374170870 647819877 /nfs/dbraw/zinc/81/98/77/647819877.db2.gz KCRITRGRGOCICN-YPMHNXCESA-N 1 2 393.241 2.429 20 0 GEADLO O=C1N[C@H]2C[N@@H+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@@H]2CO1 ZINC000374170870 647819881 /nfs/dbraw/zinc/81/98/81/647819881.db2.gz KCRITRGRGOCICN-YPMHNXCESA-N 1 2 393.241 2.429 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cnn2cc(Br)cnc12 ZINC000375946986 647837553 /nfs/dbraw/zinc/83/75/53/647837553.db2.gz JOWIABUSDCLCQG-UHFFFAOYSA-N 1 2 389.257 2.297 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000378440103 647881306 /nfs/dbraw/zinc/88/13/06/647881306.db2.gz ZFIWMYJXTUBUAL-SSDOTTSWSA-N 1 2 381.326 2.294 20 0 GEADLO CCN1C[C@H]([NH2+]Cc2ncc(Br)cc2Br)CC1=O ZINC000391519954 647893666 /nfs/dbraw/zinc/89/36/66/647893666.db2.gz BWMDZIJSXIIXEG-SECBINFHSA-N 1 2 377.080 2.317 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c(Br)c1 ZINC000408035772 647920333 /nfs/dbraw/zinc/92/03/33/647920333.db2.gz NKFQKJCDSBEGOA-CABCVRRESA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c(Br)c1 ZINC000408035772 647920339 /nfs/dbraw/zinc/92/03/39/647920339.db2.gz NKFQKJCDSBEGOA-CABCVRRESA-N 1 2 384.274 2.395 20 0 GEADLO COc1cccc(S(=O)(=O)CC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000409449565 647960910 /nfs/dbraw/zinc/96/09/10/647960910.db2.gz PXWVCRPYVYYTTK-WBVHZDCISA-N 1 2 385.551 2.455 20 0 GEADLO COc1cccc(S(=O)(=O)CC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000409449565 647960919 /nfs/dbraw/zinc/96/09/19/647960919.db2.gz PXWVCRPYVYYTTK-WBVHZDCISA-N 1 2 385.551 2.455 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409649095 647976097 /nfs/dbraw/zinc/97/60/97/647976097.db2.gz BEXQMUZBHWFEQP-XVGQJIODSA-N 1 2 393.325 2.490 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409649095 647976100 /nfs/dbraw/zinc/97/61/00/647976100.db2.gz BEXQMUZBHWFEQP-XVGQJIODSA-N 1 2 393.325 2.490 20 0 GEADLO CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)Cc1occc1C ZINC000412028050 648040945 /nfs/dbraw/zinc/04/09/45/648040945.db2.gz RJRWUQDNNMCVBD-UHFFFAOYSA-N 1 2 385.873 2.349 20 0 GEADLO CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)Cc1occc1C ZINC000412028050 648040951 /nfs/dbraw/zinc/04/09/51/648040951.db2.gz RJRWUQDNNMCVBD-UHFFFAOYSA-N 1 2 385.873 2.349 20 0 GEADLO C[C@H]1CN(c2cnn(C)c(=O)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000413536983 648071222 /nfs/dbraw/zinc/07/12/22/648071222.db2.gz WDSIDNXTRSDVIT-ZDUSSCGKSA-N 1 2 377.286 2.254 20 0 GEADLO C[C@H]1CN(c2cnn(C)c(=O)c2Br)CC[N@H+]1Cc1ccccc1 ZINC000413536983 648071226 /nfs/dbraw/zinc/07/12/26/648071226.db2.gz WDSIDNXTRSDVIT-ZDUSSCGKSA-N 1 2 377.286 2.254 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC000416532788 648162875 /nfs/dbraw/zinc/16/28/75/648162875.db2.gz IUCPZVIOUYSNAB-UHFFFAOYSA-N 1 2 392.264 2.035 20 0 GEADLO COC(=O)[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC[N@H+](C)C1 ZINC000416596152 648181568 /nfs/dbraw/zinc/18/15/68/648181568.db2.gz XVVNQQAQHYWCMK-LLVKDONJSA-N 1 2 395.308 2.027 20 0 GEADLO COC(=O)[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC[N@@H+](C)C1 ZINC000416596152 648181569 /nfs/dbraw/zinc/18/15/69/648181569.db2.gz XVVNQQAQHYWCMK-LLVKDONJSA-N 1 2 395.308 2.027 20 0 GEADLO CSc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1Cl ZINC000416658707 648204264 /nfs/dbraw/zinc/20/42/64/648204264.db2.gz GCEZEQLVHPXLJL-NEPJUHHUSA-N 1 2 378.947 2.138 20 0 GEADLO CSc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1Cl ZINC000416658707 648204265 /nfs/dbraw/zinc/20/42/65/648204265.db2.gz GCEZEQLVHPXLJL-NEPJUHHUSA-N 1 2 378.947 2.138 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416664012 648206018 /nfs/dbraw/zinc/20/60/18/648206018.db2.gz MSMVTPUOYJRIOG-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C[N@H+]1CCO ZINC000416664012 648206021 /nfs/dbraw/zinc/20/60/21/648206021.db2.gz MSMVTPUOYJRIOG-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1C(F)(F)F ZINC000416671829 648208193 /nfs/dbraw/zinc/20/81/93/648208193.db2.gz XDYYUCTYKSSMPA-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1C(F)(F)F ZINC000416671829 648208194 /nfs/dbraw/zinc/20/81/94/648208194.db2.gz XDYYUCTYKSSMPA-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000418131607 648283674 /nfs/dbraw/zinc/28/36/74/648283674.db2.gz XWBDRBXVSJFSMS-LBPRGKRZSA-N 1 2 376.787 2.195 20 0 GEADLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000418131607 648283679 /nfs/dbraw/zinc/28/36/79/648283679.db2.gz XWBDRBXVSJFSMS-LBPRGKRZSA-N 1 2 376.787 2.195 20 0 GEADLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000419343889 648348974 /nfs/dbraw/zinc/34/89/74/648348974.db2.gz GYXIUUZSBWEYSW-ZDUSSCGKSA-N 1 2 375.252 2.126 20 0 GEADLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCOc1ccc(Cl)cc1Cl ZINC000419343889 648348975 /nfs/dbraw/zinc/34/89/75/648348975.db2.gz GYXIUUZSBWEYSW-ZDUSSCGKSA-N 1 2 375.252 2.126 20 0 GEADLO COc1ccc(Br)c([C@H]2C(=O)N(Cc3c[nH+]cn3C)C(=O)N2C)c1 ZINC000419943758 648390678 /nfs/dbraw/zinc/39/06/78/648390678.db2.gz QGIIDPJJPYCDFJ-AWEZNQCLSA-N 1 2 393.241 2.327 20 0 GEADLO CC[C@@H](CS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)OC ZINC000420658233 648427903 /nfs/dbraw/zinc/42/79/03/648427903.db2.gz GUVKJMQZRWFJSF-HNNXBMFYSA-N 1 2 376.469 2.274 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br)C(=O)N(C)C ZINC000420977127 648461050 /nfs/dbraw/zinc/46/10/50/648461050.db2.gz RNVHCRGFHAOPMR-ZFWWWQNUSA-N 1 2 396.329 2.049 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1Br)C(=O)N(C)C ZINC000420977127 648461056 /nfs/dbraw/zinc/46/10/56/648461056.db2.gz RNVHCRGFHAOPMR-ZFWWWQNUSA-N 1 2 396.329 2.049 20 0 GEADLO Cc1cc(CNC(=O)C(=O)NCc2cc(Br)cs2)cc(C)[nH+]1 ZINC000422101562 648522534 /nfs/dbraw/zinc/52/25/34/648522534.db2.gz QIDGBGVQJJGZMS-UHFFFAOYSA-N 1 2 382.283 2.455 20 0 GEADLO [NH3+][C@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1cscn1 ZINC000422968314 648579496 /nfs/dbraw/zinc/57/94/96/648579496.db2.gz WHUOKXRXEHCUPN-AWEZNQCLSA-N 1 2 399.303 2.434 20 0 GEADLO [NH3+][C@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)c1cscn1 ZINC000422984943 648579795 /nfs/dbraw/zinc/57/97/95/648579795.db2.gz BQXPJGFSAIFSBD-AWEZNQCLSA-N 1 2 399.303 2.434 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423127865 648583376 /nfs/dbraw/zinc/58/33/76/648583376.db2.gz PTUWPQCVXHAHOO-AWEZNQCLSA-N 1 2 397.298 2.359 20 0 GEADLO O=C(NCCc1cccc(Cl)c1Cl)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424513025 648632609 /nfs/dbraw/zinc/63/26/09/648632609.db2.gz WMXAWIWCPZDTAP-NSHDSACASA-N 1 2 394.249 2.013 20 0 GEADLO COc1ncc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1Br ZINC000424877922 648654424 /nfs/dbraw/zinc/65/44/24/648654424.db2.gz JJAPEZMFPVRKFG-UHFFFAOYSA-N 1 2 386.290 2.036 20 0 GEADLO Ic1cccc(OCCC[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000429286076 648749276 /nfs/dbraw/zinc/74/92/76/648749276.db2.gz IJVDFUQLQCZFHZ-UHFFFAOYSA-N 1 2 384.221 2.237 20 0 GEADLO Ic1cccc(OCCC[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000429286076 648749284 /nfs/dbraw/zinc/74/92/84/648749284.db2.gz IJVDFUQLQCZFHZ-UHFFFAOYSA-N 1 2 384.221 2.237 20 0 GEADLO COc1nc(N2CC[NH+](Cc3cccc(C)n3)CC2)ncc1Br ZINC000430947010 648771001 /nfs/dbraw/zinc/77/10/01/648771001.db2.gz ZBMLADJJEFWESN-UHFFFAOYSA-N 1 2 378.274 2.273 20 0 GEADLO COCC[NH+]1CCC(NC(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436848198 648796313 /nfs/dbraw/zinc/79/63/13/648796313.db2.gz NCSAYBKUOBGALY-UHFFFAOYSA-N 1 2 375.238 2.134 20 0 GEADLO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(F)cc(Br)c1O ZINC000436850255 648796346 /nfs/dbraw/zinc/79/63/46/648796346.db2.gz GWEJXPBQRRPMTE-NSHDSACASA-N 1 2 377.254 2.380 20 0 GEADLO COCCCOC1C[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000438843180 648806403 /nfs/dbraw/zinc/80/64/03/648806403.db2.gz VEHJOWTXEJSSPN-AWEZNQCLSA-N 1 2 392.265 2.065 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000443981830 648894151 /nfs/dbraw/zinc/89/41/51/648894151.db2.gz GAGZXGIMRMKIOQ-NSHDSACASA-N 1 2 385.287 2.146 20 0 GEADLO O=C(NCc1cc(Br)cc2c1OCC2)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548609177 651082019 /nfs/dbraw/zinc/08/20/19/651082019.db2.gz LPOJJVPZYACZME-AWEZNQCLSA-N 1 2 391.269 2.395 20 0 GEADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000548918785 651089301 /nfs/dbraw/zinc/08/93/01/651089301.db2.gz IMEBLKKSLBLDQK-VXGBXAGGSA-N 1 2 384.502 2.406 20 0 GEADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000548918785 651089304 /nfs/dbraw/zinc/08/93/04/651089304.db2.gz IMEBLKKSLBLDQK-VXGBXAGGSA-N 1 2 384.502 2.406 20 0 GEADLO O=C(Nc1cccc(Br)c1Cl)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000549301598 651094958 /nfs/dbraw/zinc/09/49/58/651094958.db2.gz GADYEJUCMCMGNC-VIFPVBQESA-N 1 2 397.660 2.369 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000549541393 651098715 /nfs/dbraw/zinc/09/87/15/651098715.db2.gz QRLVJXXXQGCIGX-PHIMTYICSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC000549541393 651098717 /nfs/dbraw/zinc/09/87/17/651098717.db2.gz QRLVJXXXQGCIGX-PHIMTYICSA-N 1 2 377.304 2.171 20 0 GEADLO C[C@@H]1SCCN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)[C@H]1C ZINC000550415375 651110808 /nfs/dbraw/zinc/11/08/08/651110808.db2.gz XQIVYIRGJUTNQU-HEHGZKQESA-N 1 2 383.945 2.411 20 0 GEADLO O=S1(=O)CCC[C@@H](C[NH+]2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC000551697054 651130001 /nfs/dbraw/zinc/13/00/01/651130001.db2.gz VJDVANSTTCCZBQ-INIZCTEOSA-N 1 2 386.945 2.161 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc(F)ccc1Br)C2 ZINC000552148465 651141788 /nfs/dbraw/zinc/14/17/88/651141788.db2.gz JHXGWFXZBBKFBS-GFCCVEGCSA-N 1 2 396.260 2.373 20 0 GEADLO Cn1cc(-c2ccc(C[N@H+](C)Cc3ccccc3S(N)(=O)=O)s2)cn1 ZINC000552312976 651146551 /nfs/dbraw/zinc/14/65/51/651146551.db2.gz FPWLJIKRFGWDOM-UHFFFAOYSA-N 1 2 376.507 2.428 20 0 GEADLO Cn1cc(-c2ccc(C[N@@H+](C)Cc3ccccc3S(N)(=O)=O)s2)cn1 ZINC000552312976 651146555 /nfs/dbraw/zinc/14/65/55/651146555.db2.gz FPWLJIKRFGWDOM-UHFFFAOYSA-N 1 2 376.507 2.428 20 0 GEADLO O=C(NCc1cc[nH]n1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000554501326 651205492 /nfs/dbraw/zinc/20/54/92/651205492.db2.gz RXSUKYNLSYTLPZ-UHFFFAOYSA-N 1 2 393.245 2.374 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C[C@H](C)[N@H+]1C ZINC000555421903 651225367 /nfs/dbraw/zinc/22/53/67/651225367.db2.gz UUAYKPOHOIRMIE-PHIMTYICSA-N 1 2 389.315 2.097 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C[C@H](C)[N@@H+]1C ZINC000555421903 651225370 /nfs/dbraw/zinc/22/53/70/651225370.db2.gz UUAYKPOHOIRMIE-PHIMTYICSA-N 1 2 389.315 2.097 20 0 GEADLO CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ncc(Br)cn1 ZINC000555480572 651227174 /nfs/dbraw/zinc/22/71/74/651227174.db2.gz OVQUUPFYWGMQGN-OAHLLOKOSA-N 1 2 391.269 2.103 20 0 GEADLO CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ncc(Br)cn1 ZINC000555480572 651227178 /nfs/dbraw/zinc/22/71/78/651227178.db2.gz OVQUUPFYWGMQGN-OAHLLOKOSA-N 1 2 391.269 2.103 20 0 GEADLO C[C@H](C[NH+]1CCN(c2cccc(Br)c2)CC1)CS(C)(=O)=O ZINC000556508611 651245962 /nfs/dbraw/zinc/24/59/62/651245962.db2.gz PSSWCKGZOLNSRH-CYBMUJFWSA-N 1 2 375.332 2.252 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000559284108 651294934 /nfs/dbraw/zinc/29/49/34/651294934.db2.gz WSNXQLQYHQPKNG-BFVZDQMLSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000559284108 651294935 /nfs/dbraw/zinc/29/49/35/651294935.db2.gz WSNXQLQYHQPKNG-BFVZDQMLSA-N 1 2 380.794 2.361 20 0 GEADLO CC(C)[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000559794615 651301110 /nfs/dbraw/zinc/30/11/10/651301110.db2.gz FJYJXPSOQOMSST-CYBMUJFWSA-N 1 2 381.325 2.317 20 0 GEADLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000560405149 651308706 /nfs/dbraw/zinc/30/87/06/651308706.db2.gz QKMPPCXEZAGIGP-ZIAGYGMSSA-N 1 2 393.285 2.427 20 0 GEADLO COc1ccc(Br)c(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000560403413 651308726 /nfs/dbraw/zinc/30/87/26/651308726.db2.gz MVVPLTSSXUFYAY-BETUJISGSA-N 1 2 384.274 2.442 20 0 GEADLO COc1ccc(Br)c(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000560403413 651308730 /nfs/dbraw/zinc/30/87/30/651308730.db2.gz MVVPLTSSXUFYAY-BETUJISGSA-N 1 2 384.274 2.442 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C(F)(F)F)n1 ZINC000560437288 651309612 /nfs/dbraw/zinc/30/96/12/651309612.db2.gz DOUBEEPLKYNZIA-TUAOUCFPSA-N 1 2 378.420 2.217 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C(F)(F)F)n1 ZINC000560437288 651309616 /nfs/dbraw/zinc/30/96/16/651309616.db2.gz DOUBEEPLKYNZIA-TUAOUCFPSA-N 1 2 378.420 2.217 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000642773246 651474675 /nfs/dbraw/zinc/47/46/75/651474675.db2.gz GCBZOBBEWHIPGT-UONOGXRCSA-N 1 2 379.309 2.213 20 0 GEADLO C[C@H]([NH2+]Cc1n[nH]cc1Br)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000718134699 651475324 /nfs/dbraw/zinc/47/53/24/651475324.db2.gz SMDIHUNDIZIKSI-GXFFZTMASA-N 1 2 389.294 2.286 20 0 GEADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CN3CCSC3=S)C2)cc1 ZINC000725785824 651479170 /nfs/dbraw/zinc/47/91/70/651479170.db2.gz XPUUPQKGELPWAU-HNNXBMFYSA-N 1 2 399.607 2.277 20 0 GEADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CN3CCSC3=S)C2)cc1 ZINC000725785824 651479171 /nfs/dbraw/zinc/47/91/71/651479171.db2.gz XPUUPQKGELPWAU-HNNXBMFYSA-N 1 2 399.607 2.277 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](CCCN2CCOC2=O)CC1 ZINC000725809993 651479486 /nfs/dbraw/zinc/47/94/86/651479486.db2.gz PGZKRACTLIVCRF-UHFFFAOYSA-N 1 2 396.285 2.049 20 0 GEADLO Cc1onc(N)c1S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000561989310 651486403 /nfs/dbraw/zinc/48/64/03/651486403.db2.gz FYLYWDAUANOKDB-CQSZACIVSA-N 1 2 384.889 2.334 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N(C)Cc2ccc(Br)s2)CCO1 ZINC000726258477 651488602 /nfs/dbraw/zinc/48/86/02/651488602.db2.gz KICXFLTYZPQSBV-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)Cc2ccc(Br)s2)CCO1 ZINC000726258477 651488605 /nfs/dbraw/zinc/48/86/05/651488605.db2.gz KICXFLTYZPQSBV-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccccc2I)CCO1 ZINC000726262319 651488818 /nfs/dbraw/zinc/48/88/18/651488818.db2.gz ZYOIOOJTVPWUEL-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccccc2I)CCO1 ZINC000726262319 651488836 /nfs/dbraw/zinc/48/88/36/651488836.db2.gz ZYOIOOJTVPWUEL-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ncc(I)s2)C1 ZINC000603429166 651490348 /nfs/dbraw/zinc/49/03/48/651490348.db2.gz GFZNYSSBZRLKKB-MRVPVSSYSA-N 1 2 388.234 2.111 20 0 GEADLO C[C@@]1(c2ccc(Br)cc2)CC(=O)N(C[N@@H+]2CCCOCC2)C1=O ZINC000726784546 651502560 /nfs/dbraw/zinc/50/25/60/651502560.db2.gz MNNJVWGPXGJDPV-KRWDZBQOSA-N 1 2 381.270 2.146 20 0 GEADLO C[C@@]1(c2ccc(Br)cc2)CC(=O)N(C[N@H+]2CCCOCC2)C1=O ZINC000726784546 651502564 /nfs/dbraw/zinc/50/25/64/651502564.db2.gz MNNJVWGPXGJDPV-KRWDZBQOSA-N 1 2 381.270 2.146 20 0 GEADLO COCCS(=O)(=O)CCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000727828505 651530148 /nfs/dbraw/zinc/53/01/48/651530148.db2.gz RHRAZJKHIZJJRJ-HZPDHXFCSA-N 1 2 396.336 2.335 20 0 GEADLO COCCS(=O)(=O)CCC[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000727828505 651530152 /nfs/dbraw/zinc/53/01/52/651530152.db2.gz RHRAZJKHIZJJRJ-HZPDHXFCSA-N 1 2 396.336 2.335 20 0 GEADLO CN(C1CC1)S(=O)(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000605577958 651540024 /nfs/dbraw/zinc/54/00/24/651540024.db2.gz BCOGSIOJZTZXJB-UHFFFAOYSA-N 1 2 377.432 2.162 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1cc(Br)ccc1F ZINC000605997246 651547882 /nfs/dbraw/zinc/54/78/82/651547882.db2.gz MLSKIORJTHBRCX-UHFFFAOYSA-N 1 2 381.205 2.150 20 0 GEADLO C[C@H](CC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000563959224 651548636 /nfs/dbraw/zinc/54/86/36/651548636.db2.gz GJKGFQFYYWUREP-WBMJQRKESA-N 1 2 391.269 2.296 20 0 GEADLO Cn1c[nH+]c(CCN2C(=O)[C@@H]3Cc4c(Br)cccc4CN3C2=O)c1 ZINC000565294837 651591557 /nfs/dbraw/zinc/59/15/57/651591557.db2.gz UJUQOSVZLBONTK-HNNXBMFYSA-N 1 2 389.253 2.114 20 0 GEADLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)CCCC2CCOCC2)C[C@H](C)O1 ZINC000645449451 651605734 /nfs/dbraw/zinc/60/57/34/651605734.db2.gz JSNFSLWOJAWJRI-HOTGVXAUSA-N 1 2 376.563 2.000 20 0 GEADLO C[C@H](NC(=O)c1cccc(I)c1)[C@H](C)[NH+]1CCOCC1 ZINC000609190946 651612737 /nfs/dbraw/zinc/61/27/37/651612737.db2.gz OTBUPSMQVMMJDD-RYUDHWBXSA-N 1 2 388.249 2.130 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000567682825 651634267 /nfs/dbraw/zinc/63/42/67/651634267.db2.gz YQDURUVXPZFHHX-SECBINFHSA-N 1 2 388.262 2.264 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H](c2cccs2)C2CC2)CC1 ZINC000731757172 651634614 /nfs/dbraw/zinc/63/46/14/651634614.db2.gz RDGJQIHZDSSYNO-INIZCTEOSA-N 1 2 385.555 2.007 20 0 GEADLO O=C(NCCN1CCCC1=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000568406162 651667120 /nfs/dbraw/zinc/66/71/20/651667120.db2.gz PWLFCIMYQWCISZ-KRWDZBQOSA-N 1 2 394.313 2.325 20 0 GEADLO CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)c2cccs2)CC1 ZINC000646572139 651702468 /nfs/dbraw/zinc/70/24/68/651702468.db2.gz WSYQBNDNTVCYSS-HZPDHXFCSA-N 1 2 384.567 2.462 20 0 GEADLO Cc1nc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c(Br)s1 ZINC000646801574 651720148 /nfs/dbraw/zinc/72/01/48/651720148.db2.gz ATKXOJMDANAOAG-UHFFFAOYSA-N 1 2 398.330 2.296 20 0 GEADLO Cc1nc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c(Br)s1 ZINC000646801574 651720155 /nfs/dbraw/zinc/72/01/55/651720155.db2.gz ATKXOJMDANAOAG-UHFFFAOYSA-N 1 2 398.330 2.296 20 0 GEADLO C[NH+](C)Cc1ccccc1NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000733868978 651725948 /nfs/dbraw/zinc/72/59/48/651725948.db2.gz RNASSCZOSGGFKL-UHFFFAOYSA-N 1 2 386.470 2.092 20 0 GEADLO Cc1nn(C)c(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1Br ZINC000647984979 651768626 /nfs/dbraw/zinc/76/86/26/651768626.db2.gz VHZXQPKQRQFSNY-UHFFFAOYSA-N 1 2 379.262 2.240 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000648384682 651786682 /nfs/dbraw/zinc/78/66/82/651786682.db2.gz ZGMPJQBAWFBPCS-LBPRGKRZSA-N 1 2 384.299 2.121 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000648384682 651786685 /nfs/dbraw/zinc/78/66/85/651786685.db2.gz ZGMPJQBAWFBPCS-LBPRGKRZSA-N 1 2 384.299 2.121 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)[C@H](C)C1 ZINC000570822987 651794160 /nfs/dbraw/zinc/79/41/60/651794160.db2.gz NSXSRIILPFUBTC-LLVKDONJSA-N 1 2 389.905 2.022 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)[C@H](C)C1 ZINC000570822987 651794164 /nfs/dbraw/zinc/79/41/64/651794164.db2.gz NSXSRIILPFUBTC-LLVKDONJSA-N 1 2 389.905 2.022 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1c2ccc(Br)cc2nn1C)[NH+]1CCOCC1 ZINC000648771296 651801108 /nfs/dbraw/zinc/80/11/08/651801108.db2.gz MAVQKZNWCRHHIT-NWDGAFQWSA-N 1 2 395.301 2.175 20 0 GEADLO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Br)c(F)cc1O ZINC000649140733 651817621 /nfs/dbraw/zinc/81/76/21/651817621.db2.gz PKNIZWVLMDCSMK-LLVKDONJSA-N 1 2 387.249 2.277 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CCC2(O)CCC2)CC1 ZINC000571263162 651821621 /nfs/dbraw/zinc/82/16/21/651821621.db2.gz YVVOJODVKQESMY-UHFFFAOYSA-N 1 2 376.881 2.091 20 0 GEADLO CO[C@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)c1ccccc1Br ZINC000615557437 651867739 /nfs/dbraw/zinc/86/77/39/651867739.db2.gz HUUFNSKBDQETJQ-YOEHRIQHSA-N 1 2 397.313 2.460 20 0 GEADLO Cn1c[nH+]cc1[C@H]1C[C@H](NS(=O)(=O)c2cnc3ccsc3c2)CCO1 ZINC000572223426 651879663 /nfs/dbraw/zinc/87/96/63/651879663.db2.gz GLGSEVZIPGYLTM-IAQYHMDHSA-N 1 2 378.479 2.228 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H](CO)c1cccc(Br)c1 ZINC000651641193 651892379 /nfs/dbraw/zinc/89/23/79/651892379.db2.gz IHWDOXOGRGXSOO-OAHLLOKOSA-N 1 2 378.270 2.374 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C(C)(C)C1 ZINC000651902046 651900163 /nfs/dbraw/zinc/90/01/63/651900163.db2.gz ACJYVZQDLHYFQB-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C(C)(C)C1 ZINC000651902046 651900175 /nfs/dbraw/zinc/90/01/75/651900175.db2.gz ACJYVZQDLHYFQB-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO Cc1c(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cnn1C ZINC000572577185 651900758 /nfs/dbraw/zinc/90/07/58/651900758.db2.gz OKWLLWCXYZOMHN-MRXNPFEDSA-N 1 2 382.917 2.497 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3CCCS3(=O)=O)n2)C1 ZINC000572574692 651900876 /nfs/dbraw/zinc/90/08/76/651900876.db2.gz ADXYNSLTDNZBHS-OCCSQVGLSA-N 1 2 386.543 2.074 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3CCCS3(=O)=O)n2)C1 ZINC000572574692 651900880 /nfs/dbraw/zinc/90/08/80/651900880.db2.gz ADXYNSLTDNZBHS-OCCSQVGLSA-N 1 2 386.543 2.074 20 0 GEADLO O=C(NCc1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000572989965 651927186 /nfs/dbraw/zinc/92/71/86/651927186.db2.gz FKYIQFCUYPESES-CYBMUJFWSA-N 1 2 381.263 2.497 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cc(C)ccc2Br)CC1 ZINC000652999382 651931397 /nfs/dbraw/zinc/93/13/97/651931397.db2.gz XAHCBKSYCMGFAY-UHFFFAOYSA-N 1 2 385.302 2.178 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000573090241 651933800 /nfs/dbraw/zinc/93/38/00/651933800.db2.gz YEQLIIZRODDVBB-LBPRGKRZSA-N 1 2 385.686 2.425 20 0 GEADLO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000741255148 651942404 /nfs/dbraw/zinc/94/24/04/651942404.db2.gz QBVSWZVAUZBGLU-AWEZNQCLSA-N 1 2 385.258 2.042 20 0 GEADLO CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000741255148 651942410 /nfs/dbraw/zinc/94/24/10/651942410.db2.gz QBVSWZVAUZBGLU-AWEZNQCLSA-N 1 2 385.258 2.042 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCCS1)c1ccccc1Cl ZINC000573393334 651951894 /nfs/dbraw/zinc/95/18/94/651951894.db2.gz YDKXOAXHEFLOJL-CRAIPNDOSA-N 1 2 383.945 2.461 20 0 GEADLO CO[C@@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1Br ZINC000653769565 651953379 /nfs/dbraw/zinc/95/33/79/651953379.db2.gz LPQUDXXTUYDGBZ-XJKSGUPXSA-N 1 2 385.302 2.316 20 0 GEADLO Cn1cnnc1N1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000653823345 651956805 /nfs/dbraw/zinc/95/68/05/651956805.db2.gz CGFYWYQTZBVELJ-UHFFFAOYSA-N 1 2 387.285 2.448 20 0 GEADLO C[C@H]1CCc2c(sc3ncnc(N4CC[NH+](CC[S@@](C)=O)CC4)c23)C1 ZINC000741750702 651957939 /nfs/dbraw/zinc/95/79/39/651957939.db2.gz YDFFUSZSZPSXQB-ZJWNCGCPSA-N 1 2 378.567 2.317 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2c3ccc(Br)cc3nn2C)[C@H](C)CO1 ZINC000617721397 651966127 /nfs/dbraw/zinc/96/61/27/651966127.db2.gz OVVGYHPJYQCLAI-VXGBXAGGSA-N 1 2 395.301 2.175 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2c3ccc(Br)cc3nn2C)[C@H](C)CO1 ZINC000617721397 651966132 /nfs/dbraw/zinc/96/61/32/651966132.db2.gz OVVGYHPJYQCLAI-VXGBXAGGSA-N 1 2 395.301 2.175 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cc3[nH]cnc32)[C@@H](C)CO1 ZINC000617723332 651967238 /nfs/dbraw/zinc/96/72/38/651967238.db2.gz LQNOFBFUUHGASZ-WDEREUQCSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc3[nH]cnc32)[C@@H](C)CO1 ZINC000617723332 651967246 /nfs/dbraw/zinc/96/72/46/651967246.db2.gz LQNOFBFUUHGASZ-WDEREUQCSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2c[nH]c3ncc(Br)cc23)[C@@H](C)CO1 ZINC000617724080 651967258 /nfs/dbraw/zinc/96/72/58/651967258.db2.gz VLXMNINENYBULD-WDEREUQCSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2c[nH]c3ncc(Br)cc23)[C@@H](C)CO1 ZINC000617724080 651967268 /nfs/dbraw/zinc/96/72/68/651967268.db2.gz VLXMNINENYBULD-WDEREUQCSA-N 1 2 381.274 2.164 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617724841 651967818 /nfs/dbraw/zinc/96/78/18/651967818.db2.gz CNEOSXUJXVKQIF-GHMZBOCLSA-N 1 2 386.290 2.000 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617724841 651967824 /nfs/dbraw/zinc/96/78/24/651967824.db2.gz CNEOSXUJXVKQIF-GHMZBOCLSA-N 1 2 386.290 2.000 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2COc3ccc(Br)cc32)[C@H](C)CO1 ZINC000617728077 651968196 /nfs/dbraw/zinc/96/81/96/651968196.db2.gz PVQYQYMUASMMJD-LALPHHSUSA-N 1 2 383.286 2.151 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2COc3ccc(Br)cc32)[C@H](C)CO1 ZINC000617728077 651968203 /nfs/dbraw/zinc/96/82/03/651968203.db2.gz PVQYQYMUASMMJD-LALPHHSUSA-N 1 2 383.286 2.151 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2COc3ccc(Br)cc32)[C@@H](C)CO1 ZINC000617728079 651968412 /nfs/dbraw/zinc/96/84/12/651968412.db2.gz PVQYQYMUASMMJD-ZOWXZIJZSA-N 1 2 383.286 2.151 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2COc3ccc(Br)cc32)[C@@H](C)CO1 ZINC000617728079 651968421 /nfs/dbraw/zinc/96/84/21/651968421.db2.gz PVQYQYMUASMMJD-ZOWXZIJZSA-N 1 2 383.286 2.151 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000654974541 651968735 /nfs/dbraw/zinc/96/87/35/651968735.db2.gz GZUJRCTXVOMTPE-IAQYHMDHSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000654974541 651968740 /nfs/dbraw/zinc/96/87/40/651968740.db2.gz GZUJRCTXVOMTPE-IAQYHMDHSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)COc2ccc(Br)cc2F)[C@@H](C)CO1 ZINC000617744123 651969889 /nfs/dbraw/zinc/96/98/89/651969889.db2.gz SPLNDHLCKZYMQH-NWDGAFQWSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)COc2ccc(Br)cc2F)[C@@H](C)CO1 ZINC000617744123 651969894 /nfs/dbraw/zinc/96/98/94/651969894.db2.gz SPLNDHLCKZYMQH-NWDGAFQWSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H](C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000617790113 651973036 /nfs/dbraw/zinc/97/30/36/651973036.db2.gz BFZWCKMXECBRAK-AWEZNQCLSA-N 1 2 385.339 2.278 20 0 GEADLO N=C1NC(=O)[C@@H](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)S1 ZINC000742481721 651989830 /nfs/dbraw/zinc/98/98/30/651989830.db2.gz ANPXJUZLAUAVES-UONOGXRCSA-N 1 2 380.901 2.150 20 0 GEADLO N=C1NC(=O)C(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)S1 ZINC000742481721 651989832 /nfs/dbraw/zinc/98/98/32/651989832.db2.gz ANPXJUZLAUAVES-UONOGXRCSA-N 1 2 380.901 2.150 20 0 GEADLO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CC1SC(=N)NC1=O ZINC000742605494 651994066 /nfs/dbraw/zinc/99/40/66/651994066.db2.gz VAPNZBFCWFNOFD-AWEZNQCLSA-N 1 2 378.523 2.039 20 0 GEADLO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CC1SC(=N)NC1=O ZINC000742605495 651994145 /nfs/dbraw/zinc/99/41/45/651994145.db2.gz VAPNZBFCWFNOFD-CQSZACIVSA-N 1 2 378.523 2.039 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000574518869 652027077 /nfs/dbraw/zinc/02/70/77/652027077.db2.gz VHWDHWXXYNQQME-LBPRGKRZSA-N 1 2 385.686 2.425 20 0 GEADLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2Br)C(=O)N1c1cnn(C)c1 ZINC000656503778 652029248 /nfs/dbraw/zinc/02/92/48/652029248.db2.gz ADTGSNXXLQOGOG-MFKMUULPSA-N 1 2 379.258 2.172 20 0 GEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656954070 652074251 /nfs/dbraw/zinc/07/42/51/652074251.db2.gz YHVZHDLRBKBXLN-QWRGUYRKSA-N 1 2 379.295 2.442 20 0 GEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656954070 652074255 /nfs/dbraw/zinc/07/42/55/652074255.db2.gz YHVZHDLRBKBXLN-QWRGUYRKSA-N 1 2 379.295 2.442 20 0 GEADLO O=S(=O)(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccc(O)cc1 ZINC000575743077 652074431 /nfs/dbraw/zinc/07/44/31/652074431.db2.gz PEPFZICHHJGYOM-INIZCTEOSA-N 1 2 378.519 2.288 20 0 GEADLO O=S(=O)(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1ccc(O)cc1 ZINC000575743077 652074438 /nfs/dbraw/zinc/07/44/38/652074438.db2.gz PEPFZICHHJGYOM-INIZCTEOSA-N 1 2 378.519 2.288 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000746323211 652099601 /nfs/dbraw/zinc/09/96/01/652099601.db2.gz GEFXZAVOXCFGQL-UHFFFAOYSA-N 1 2 378.217 2.351 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000746323211 652099609 /nfs/dbraw/zinc/09/96/09/652099609.db2.gz GEFXZAVOXCFGQL-UHFFFAOYSA-N 1 2 378.217 2.351 20 0 GEADLO FC(F)Oc1ccc(NC(=S)NC[C@@H]2C[NH+]3CCN2CC3)cc1Cl ZINC000746546057 652113882 /nfs/dbraw/zinc/11/38/82/652113882.db2.gz XXEWJIACEXFIBQ-LLVKDONJSA-N 1 2 376.860 2.228 20 0 GEADLO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000576578240 652128532 /nfs/dbraw/zinc/12/85/32/652128532.db2.gz WSFOPAPCKCHXKS-ZDUSSCGKSA-N 1 2 392.297 2.183 20 0 GEADLO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000576578240 652128539 /nfs/dbraw/zinc/12/85/39/652128539.db2.gz WSFOPAPCKCHXKS-ZDUSSCGKSA-N 1 2 392.297 2.183 20 0 GEADLO CON(C)S(=O)(=O)c1cc(C(=O)Nc2cc(C)[nH+]cc2C)ccc1Cl ZINC000747526828 652167951 /nfs/dbraw/zinc/16/79/51/652167951.db2.gz USUNSEFMPZAVPW-UHFFFAOYSA-N 1 2 383.857 2.208 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(Br)c[nH]c1=O ZINC000621923493 652170191 /nfs/dbraw/zinc/17/01/91/652170191.db2.gz OCGVRDJZCFFQGR-UHFFFAOYSA-N 1 2 393.241 2.342 20 0 GEADLO Cn1c[nH+]cc1COC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000747784638 652178513 /nfs/dbraw/zinc/17/85/13/652178513.db2.gz VGHFYIVDTGCMHM-UHFFFAOYSA-N 1 2 391.225 2.026 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000622048588 652181302 /nfs/dbraw/zinc/18/13/02/652181302.db2.gz PMPSHNYJNMMVGN-NEPJUHHUSA-N 1 2 397.269 2.113 20 0 GEADLO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Br)c(F)cc1O ZINC000577504791 652193809 /nfs/dbraw/zinc/19/38/09/652193809.db2.gz ONQKEXXPVPUBNW-JTQLQIEISA-N 1 2 377.254 2.116 20 0 GEADLO CCS(=O)(=O)C1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000657759296 652202311 /nfs/dbraw/zinc/20/23/11/652202311.db2.gz UWAVNCLIUNCEKK-UHFFFAOYSA-N 1 2 399.314 2.087 20 0 GEADLO Cc1nc(Cl)sc1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000748543199 652206552 /nfs/dbraw/zinc/20/65/52/652206552.db2.gz YOWCLHAFHOWEKU-GFCCVEGCSA-N 1 2 379.917 2.440 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000577706470 652209183 /nfs/dbraw/zinc/20/91/83/652209183.db2.gz FOFQJDIJSUWKEA-ZDUSSCGKSA-N 1 2 385.917 2.167 20 0 GEADLO C[C@H](C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[NH+]1CC(C)C1 ZINC000578141221 652247435 /nfs/dbraw/zinc/24/74/35/652247435.db2.gz DDFMZAFBZZGTTP-LLVKDONJSA-N 1 2 378.274 2.191 20 0 GEADLO O=S(=O)(CCc1ccccc1Br)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000578270427 652258047 /nfs/dbraw/zinc/25/80/47/652258047.db2.gz DSUBZINSCDQNNT-CYBMUJFWSA-N 1 2 384.299 2.123 20 0 GEADLO COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCc3scnc32)c1 ZINC000623895222 652266541 /nfs/dbraw/zinc/26/65/41/652266541.db2.gz LLTDXSSJJHUNDV-OAHLLOKOSA-N 1 2 381.523 2.235 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000578379557 652267570 /nfs/dbraw/zinc/26/75/70/652267570.db2.gz CMLYAAIVLQCJHV-ZDUSSCGKSA-N 1 2 388.917 2.222 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000578379557 652267576 /nfs/dbraw/zinc/26/75/76/652267576.db2.gz CMLYAAIVLQCJHV-ZDUSSCGKSA-N 1 2 388.917 2.222 20 0 GEADLO CS(=O)(=O)c1ccc(-c2nc(C[NH2+]C3(C(N)=O)CCCC3)cs2)cc1 ZINC000750050749 652279712 /nfs/dbraw/zinc/27/97/12/652279712.db2.gz QVRXWDZYPAPVLU-UHFFFAOYSA-N 1 2 379.507 2.101 20 0 GEADLO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000624856792 652307017 /nfs/dbraw/zinc/30/70/17/652307017.db2.gz BEDNANBMNCVYJR-JTQLQIEISA-N 1 2 376.251 2.460 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000579014114 652311269 /nfs/dbraw/zinc/31/12/69/652311269.db2.gz NVSITVVHYYHXHI-ZDUSSCGKSA-N 1 2 386.823 2.267 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000579014114 652311281 /nfs/dbraw/zinc/31/12/81/652311281.db2.gz NVSITVVHYYHXHI-ZDUSSCGKSA-N 1 2 386.823 2.267 20 0 GEADLO Cn1cnc(C(=O)N(CCn2cc[nH+]c2)Cc2ccccc2Br)n1 ZINC000579113462 652318663 /nfs/dbraw/zinc/31/86/63/652318663.db2.gz JLUZANSDWJHUJY-UHFFFAOYSA-N 1 2 389.257 2.117 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000751416940 652346354 /nfs/dbraw/zinc/34/63/54/652346354.db2.gz FEDSBMGWHMCQIN-ZDUSSCGKSA-N 1 2 379.309 2.071 20 0 GEADLO CCN1OC[C@@H]([NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1=O ZINC000660057887 652380809 /nfs/dbraw/zinc/38/08/09/652380809.db2.gz ZYXVTGDINIKGFK-OAHLLOKOSA-N 1 2 396.285 2.262 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000626168706 652382919 /nfs/dbraw/zinc/38/29/19/652382919.db2.gz XOOXZKMHPNEQNM-NSHDSACASA-N 1 2 394.324 2.193 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000626168706 652382922 /nfs/dbraw/zinc/38/29/22/652382922.db2.gz XOOXZKMHPNEQNM-NSHDSACASA-N 1 2 394.324 2.193 20 0 GEADLO O=S(=O)(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ncccc1Br ZINC000660130634 652389022 /nfs/dbraw/zinc/38/90/22/652389022.db2.gz OZUNMKWYWFAZCN-AWEZNQCLSA-N 1 2 396.310 2.397 20 0 GEADLO O=S(=O)(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ncccc1Br ZINC000660130634 652389024 /nfs/dbraw/zinc/38/90/24/652389024.db2.gz OZUNMKWYWFAZCN-AWEZNQCLSA-N 1 2 396.310 2.397 20 0 GEADLO O=C(NCc1cc(Br)ccc1F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660334559 652398858 /nfs/dbraw/zinc/39/88/58/652398858.db2.gz YAWJIZPXGUDELK-CQSZACIVSA-N 1 2 386.265 2.204 20 0 GEADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660388661 652400786 /nfs/dbraw/zinc/40/07/86/652400786.db2.gz CDICYIXOEFZVDJ-ISOBSLSZSA-N 1 2 391.269 2.094 20 0 GEADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660388661 652400789 /nfs/dbraw/zinc/40/07/89/652400789.db2.gz CDICYIXOEFZVDJ-ISOBSLSZSA-N 1 2 391.269 2.094 20 0 GEADLO O=C(NCCOc1cccc(Cl)c1Cl)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660456058 652402849 /nfs/dbraw/zinc/40/28/49/652402849.db2.gz DVFBPPWFJXSCOC-ZDUSSCGKSA-N 1 2 388.295 2.488 20 0 GEADLO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660474877 652403555 /nfs/dbraw/zinc/40/35/55/652403555.db2.gz OEXOXCYYHZZVNN-PBHICJAKSA-N 1 2 396.329 2.496 20 0 GEADLO O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(c2ncns2)CC1 ZINC000660713794 652411884 /nfs/dbraw/zinc/41/18/84/652411884.db2.gz ONUQQDKAQQIBQU-NSHDSACASA-N 1 2 389.308 2.407 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N(CCS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000753647621 652412484 /nfs/dbraw/zinc/41/24/84/652412484.db2.gz KLGNAIHNHPDIFH-MRXNPFEDSA-N 1 2 387.933 2.161 20 0 GEADLO C[C@@](CO)([NH2+]Cc1coc(S(N)(=O)=O)c1)c1cc(Cl)cc(Cl)c1 ZINC000660742874 652412935 /nfs/dbraw/zinc/41/29/35/652412935.db2.gz YFXPBPARDRFEDZ-AWEZNQCLSA-N 1 2 379.265 2.231 20 0 GEADLO C[C@@H](Cc1ccccc1Br)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660892382 652413687 /nfs/dbraw/zinc/41/36/87/652413687.db2.gz IVBRZEYXBRRUDK-HOCLYGCPSA-N 1 2 396.329 2.496 20 0 GEADLO C[C@@H]1COCC[N@H+](CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753985543 652422521 /nfs/dbraw/zinc/42/25/21/652422521.db2.gz IQEZOUNOWMSYRA-SCLBCKFNSA-N 1 2 395.297 2.392 20 0 GEADLO C[C@@H]1COCC[N@@H+](CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753985543 652422523 /nfs/dbraw/zinc/42/25/23/652422523.db2.gz IQEZOUNOWMSYRA-SCLBCKFNSA-N 1 2 395.297 2.392 20 0 GEADLO CS(=O)(=O)[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C(F)(F)F ZINC000661190857 652423498 /nfs/dbraw/zinc/42/34/98/652423498.db2.gz JPYWKQWWYJOCIE-ARFHVFGLSA-N 1 2 376.444 2.168 20 0 GEADLO CS(=O)(=O)[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C(F)(F)F ZINC000661190857 652423501 /nfs/dbraw/zinc/42/35/01/652423501.db2.gz JPYWKQWWYJOCIE-ARFHVFGLSA-N 1 2 376.444 2.168 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(c2cncc(SCc3ccccc3)n2)CC1 ZINC000754058624 652425957 /nfs/dbraw/zinc/42/59/57/652425957.db2.gz YWHHHIWPIDFGCQ-RUZDIDTESA-N 1 2 376.551 2.269 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1nc(-c2cccs2)cs1 ZINC000661596228 652434144 /nfs/dbraw/zinc/43/41/44/652434144.db2.gz BAZVDUBQIUFGFN-RYUDHWBXSA-N 1 2 376.507 2.411 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1nc(-c2cccs2)cs1 ZINC000661596228 652434146 /nfs/dbraw/zinc/43/41/46/652434146.db2.gz BAZVDUBQIUFGFN-RYUDHWBXSA-N 1 2 376.507 2.411 20 0 GEADLO Cc1c(Br)cccc1CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000582073251 652434423 /nfs/dbraw/zinc/43/44/23/652434423.db2.gz YHWDNAYRECZIOY-UHFFFAOYSA-N 1 2 393.285 2.119 20 0 GEADLO Cc1cc(OCC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)no1 ZINC000754518033 652437879 /nfs/dbraw/zinc/43/78/79/652437879.db2.gz SXLJBRNOTYZKQG-UHFFFAOYSA-N 1 2 393.241 2.439 20 0 GEADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000754683577 652442575 /nfs/dbraw/zinc/44/25/75/652442575.db2.gz ILWOGFAUVIBBHT-LLVKDONJSA-N 1 2 378.226 2.279 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000662015233 652444937 /nfs/dbraw/zinc/44/49/37/652444937.db2.gz VJTKTFWZVPANOI-AWEZNQCLSA-N 1 2 380.290 2.285 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000662015233 652444939 /nfs/dbraw/zinc/44/49/39/652444939.db2.gz VJTKTFWZVPANOI-AWEZNQCLSA-N 1 2 380.290 2.285 20 0 GEADLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@]1(C)CO ZINC000662140229 652448683 /nfs/dbraw/zinc/44/86/83/652448683.db2.gz URIJANOJAISGER-DOMZBBRYSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@]1(C)CO ZINC000662140229 652448684 /nfs/dbraw/zinc/44/86/84/652448684.db2.gz URIJANOJAISGER-DOMZBBRYSA-N 1 2 376.316 2.173 20 0 GEADLO COCCC[N@H+](Cc1ccc(F)c(F)c1N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000628122172 652451966 /nfs/dbraw/zinc/45/19/66/652451966.db2.gz MXMYWXGBGRUELC-AWEZNQCLSA-N 1 2 376.469 2.056 20 0 GEADLO COCCC[N@@H+](Cc1ccc(F)c(F)c1N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000628122172 652451972 /nfs/dbraw/zinc/45/19/72/652451972.db2.gz MXMYWXGBGRUELC-AWEZNQCLSA-N 1 2 376.469 2.056 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(Cc2cc(C)c(Br)cn2)CC1 ZINC000628124884 652452548 /nfs/dbraw/zinc/45/25/48/652452548.db2.gz ARSDTSBFLQRZFC-UHFFFAOYSA-N 1 2 383.334 2.139 20 0 GEADLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628135221 652452823 /nfs/dbraw/zinc/45/28/23/652452823.db2.gz PSKITRQVOQLXLP-GFCCVEGCSA-N 1 2 384.395 2.280 20 0 GEADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628135221 652452826 /nfs/dbraw/zinc/45/28/26/652452826.db2.gz PSKITRQVOQLXLP-GFCCVEGCSA-N 1 2 384.395 2.280 20 0 GEADLO Cc1cc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)ncc1Br ZINC000628139070 652452864 /nfs/dbraw/zinc/45/28/64/652452864.db2.gz VSHNHKAZYLWXSR-CQSZACIVSA-N 1 2 390.347 2.446 20 0 GEADLO Cc1cc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)ncc1Br ZINC000628139070 652452866 /nfs/dbraw/zinc/45/28/66/652452866.db2.gz VSHNHKAZYLWXSR-CQSZACIVSA-N 1 2 390.347 2.446 20 0 GEADLO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000628678126 652466929 /nfs/dbraw/zinc/46/69/29/652466929.db2.gz XLWOHVLVAIEPQS-ZBFHGGJFSA-N 1 2 383.286 2.452 20 0 GEADLO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000628678126 652466933 /nfs/dbraw/zinc/46/69/33/652466933.db2.gz XLWOHVLVAIEPQS-ZBFHGGJFSA-N 1 2 383.286 2.452 20 0 GEADLO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000582948695 652468197 /nfs/dbraw/zinc/46/81/97/652468197.db2.gz JFGHQXKRMZLRAM-KRWDZBQOSA-N 1 2 378.881 2.287 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968566 652476516 /nfs/dbraw/zinc/47/65/16/652476516.db2.gz HTRPMPKFDKVKCY-YGRLFVJLSA-N 1 2 381.325 2.393 20 0 GEADLO Cc1c(Br)cccc1CNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000583510491 652487956 /nfs/dbraw/zinc/48/79/56/652487956.db2.gz SXVKGEMAZSCVHA-UHFFFAOYSA-N 1 2 390.285 2.438 20 0 GEADLO Cc1c(Br)cccc1CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000583510491 652487961 /nfs/dbraw/zinc/48/79/61/652487961.db2.gz SXVKGEMAZSCVHA-UHFFFAOYSA-N 1 2 390.285 2.438 20 0 GEADLO Cc1cc(C[NH+]2CCN(c3nnc4ccc(Br)cn43)CC2)on1 ZINC000663361314 652495113 /nfs/dbraw/zinc/49/51/13/652495113.db2.gz DJWBKIXFRDMKAL-UHFFFAOYSA-N 1 2 377.246 2.110 20 0 GEADLO Cc1nc(NCc2cccc(CS(N)(=O)=O)c2)c(Br)c(C)[nH+]1 ZINC000663528636 652502609 /nfs/dbraw/zinc/50/26/09/652502609.db2.gz STTPHVBEZZUXFZ-UHFFFAOYSA-N 1 2 385.287 2.257 20 0 GEADLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000756777290 652505920 /nfs/dbraw/zinc/50/59/20/652505920.db2.gz DATKPPXMERQZNC-UHFFFAOYSA-N 1 2 376.469 2.476 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2cc(Br)ccc2F)[C@@H](C)CO1 ZINC000663678610 652508428 /nfs/dbraw/zinc/50/84/28/652508428.db2.gz QPYCRKDAQSSYSJ-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2cc(Br)ccc2F)[C@@H](C)CO1 ZINC000663678610 652508429 /nfs/dbraw/zinc/50/84/29/652508429.db2.gz QPYCRKDAQSSYSJ-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO Cc1nc(NCCNS(=O)(=O)c2cccs2)c(Br)c(C)[nH+]1 ZINC000663736799 652510473 /nfs/dbraw/zinc/51/04/73/652510473.db2.gz ZYJJAHGTMBUJND-UHFFFAOYSA-N 1 2 391.316 2.308 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000757491732 652517238 /nfs/dbraw/zinc/51/72/38/652517238.db2.gz OWXUDDPOCJQVJP-LBPRGKRZSA-N 1 2 383.857 2.349 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NCCC(C)(C)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000584456884 652521348 /nfs/dbraw/zinc/52/13/48/652521348.db2.gz ZZGAZPPUOPMNRY-HNNXBMFYSA-N 1 2 389.949 2.455 20 0 GEADLO O=C(NCCNc1cc(NC2CC2)nc[nH+]1)c1ccc(Br)cn1 ZINC000664179755 652522234 /nfs/dbraw/zinc/52/22/34/652522234.db2.gz UTMGVSUCOIAUAC-UHFFFAOYSA-N 1 2 377.246 2.050 20 0 GEADLO O=C(NCCNc1cc(NC2CC2)[nH+]cn1)c1ccc(Br)cn1 ZINC000664179755 652522236 /nfs/dbraw/zinc/52/22/36/652522236.db2.gz UTMGVSUCOIAUAC-UHFFFAOYSA-N 1 2 377.246 2.050 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)[C@H](C)CO1 ZINC000664444957 652527419 /nfs/dbraw/zinc/52/74/19/652527419.db2.gz LBRLBZWGMSBBFM-VXGBXAGGSA-N 1 2 391.299 2.176 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)[C@H](C)CO1 ZINC000664444957 652527422 /nfs/dbraw/zinc/52/74/22/652527422.db2.gz LBRLBZWGMSBBFM-VXGBXAGGSA-N 1 2 391.299 2.176 20 0 GEADLO Cc1cc(NC2CC[NH+](CCS(C)(=O)=O)CC2)ncc1Br ZINC000758159662 652531822 /nfs/dbraw/zinc/53/18/22/652531822.db2.gz NAPYXBWRYXIMMQ-UHFFFAOYSA-N 1 2 376.320 2.073 20 0 GEADLO C[C@@H](NC(=O)NCCSCc1ccnc(Cl)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000758456605 652542697 /nfs/dbraw/zinc/54/26/97/652542697.db2.gz VBSXVJKXMJCETF-ZIAGYGMSSA-N 1 2 386.949 2.377 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N(C)CCS(=O)(=O)CC)c1ccsc1 ZINC000758679595 652552175 /nfs/dbraw/zinc/55/21/75/652552175.db2.gz CWSXAQCSLCYOOH-HNNXBMFYSA-N 1 2 375.560 2.207 20 0 GEADLO CO[C@@H]1CCN(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000758692457 652552401 /nfs/dbraw/zinc/55/24/01/652552401.db2.gz OJFPGCFTCIXUIB-CQSZACIVSA-N 1 2 381.274 2.378 20 0 GEADLO COc1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c(Br)c1 ZINC000589232626 652562732 /nfs/dbraw/zinc/56/27/32/652562732.db2.gz WOJTUDBXMLSPMK-UHFFFAOYSA-N 1 2 395.257 2.189 20 0 GEADLO COC(=O)c1cc(NC(=O)NCc2c[nH+]cn2C)cc(Br)c1F ZINC000589247123 652563724 /nfs/dbraw/zinc/56/37/24/652563724.db2.gz VOPWJIVPUYRMGE-UHFFFAOYSA-N 1 2 385.193 2.430 20 0 GEADLO O=S(=O)(C[C@@H]1CCCC1(F)F)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680496 652574692 /nfs/dbraw/zinc/57/46/92/652574692.db2.gz NVXGIOQHCXIGJC-AWEZNQCLSA-N 1 2 391.509 2.490 20 0 GEADLO O=S(=O)(CCc1cccs1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680645 652574803 /nfs/dbraw/zinc/57/48/03/652574803.db2.gz SJPARTPGCKPZIH-UHFFFAOYSA-N 1 2 383.564 2.358 20 0 GEADLO COc1ccccc1S(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632681195 652574839 /nfs/dbraw/zinc/57/48/39/652574839.db2.gz NYDAORFXQBBNFY-UHFFFAOYSA-N 1 2 379.507 2.122 20 0 GEADLO O=S1(=O)CCCN1C1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000666399631 652575419 /nfs/dbraw/zinc/57/54/19/652575419.db2.gz VBGAWTAEIFPFJK-UHFFFAOYSA-N 1 2 378.416 2.411 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000666430083 652577114 /nfs/dbraw/zinc/57/71/14/652577114.db2.gz SVZXSDKHTZVJST-CQSZACIVSA-N 1 2 396.329 2.500 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000592193517 652590215 /nfs/dbraw/zinc/59/02/15/652590215.db2.gz AWAAJVAMQZGBFP-OCCSQVGLSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000592193517 652590217 /nfs/dbraw/zinc/59/02/17/652590217.db2.gz AWAAJVAMQZGBFP-OCCSQVGLSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000592199525 652591023 /nfs/dbraw/zinc/59/10/23/652591023.db2.gz RAWLDEWJKOVLQD-GXTWGEPZSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000592199525 652591024 /nfs/dbraw/zinc/59/10/24/652591024.db2.gz RAWLDEWJKOVLQD-GXTWGEPZSA-N 1 2 395.253 2.460 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cnc3c(Br)cccn23)[C@@H](C)CO1 ZINC000667097901 652591512 /nfs/dbraw/zinc/59/15/12/652591512.db2.gz GDAJEACNWUHIAE-NWDGAFQWSA-N 1 2 396.289 2.328 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cnc3c(Br)cccn23)[C@@H](C)CO1 ZINC000667097901 652591514 /nfs/dbraw/zinc/59/15/14/652591514.db2.gz GDAJEACNWUHIAE-NWDGAFQWSA-N 1 2 396.289 2.328 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000592206327 652591781 /nfs/dbraw/zinc/59/17/81/652591781.db2.gz YXDVNUOSHZJQLQ-NXEZZACHSA-N 1 2 386.235 2.399 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000592206327 652591786 /nfs/dbraw/zinc/59/17/86/652591786.db2.gz YXDVNUOSHZJQLQ-NXEZZACHSA-N 1 2 386.235 2.399 20 0 GEADLO Cn1ncc(Br)c1CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000633447860 652597665 /nfs/dbraw/zinc/59/76/65/652597665.db2.gz PJXHCZMQDJFAQU-UHFFFAOYSA-N 1 2 381.278 2.269 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000592533543 652599167 /nfs/dbraw/zinc/59/91/67/652599167.db2.gz SYWSVRLWTVOPGO-GXTWGEPZSA-N 1 2 394.269 2.195 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000592533543 652599171 /nfs/dbraw/zinc/59/91/71/652599171.db2.gz SYWSVRLWTVOPGO-GXTWGEPZSA-N 1 2 394.269 2.195 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cncc(Br)c2C)CC1 ZINC000667618354 652615519 /nfs/dbraw/zinc/61/55/19/652615519.db2.gz WBNVPMAJRMGPLX-UHFFFAOYSA-N 1 2 390.347 2.398 20 0 GEADLO C[N@@H+]1CCO[C@H](C(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)C1 ZINC000633847596 652615998 /nfs/dbraw/zinc/61/59/98/652615998.db2.gz QFHRQWJUXLNRDE-INIZCTEOSA-N 1 2 395.297 2.175 20 0 GEADLO C[N@H+]1CCO[C@H](C(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)C1 ZINC000633847596 652616002 /nfs/dbraw/zinc/61/60/02/652616002.db2.gz QFHRQWJUXLNRDE-INIZCTEOSA-N 1 2 395.297 2.175 20 0 GEADLO Cc1c(Br)cncc1CN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000667687985 652617822 /nfs/dbraw/zinc/61/78/22/652617822.db2.gz CAMQKSSUPCGBPZ-OAHLLOKOSA-N 1 2 395.345 2.281 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cncc(Br)c2C)CC1 ZINC000668158621 652630920 /nfs/dbraw/zinc/63/09/20/652630920.db2.gz YYHZIKXFVJANBS-UHFFFAOYSA-N 1 2 376.320 2.056 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cc2c1OCCO2)[C@H](C)[NH+]1CCOCC1 ZINC000668320413 652637706 /nfs/dbraw/zinc/63/77/06/652637706.db2.gz ZUAWSYZIPPRHMX-NEPJUHHUSA-N 1 2 399.285 2.059 20 0 GEADLO O=C(Cc1cscc1Br)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634508652 652641587 /nfs/dbraw/zinc/64/15/87/652641587.db2.gz HNPPBTPUKGYFAM-UHFFFAOYSA-N 1 2 395.326 2.230 20 0 GEADLO O=C(CC1CCSCC1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000762013140 652667588 /nfs/dbraw/zinc/66/75/88/652667588.db2.gz IUWOJGKFHBHELL-UHFFFAOYSA-N 1 2 382.551 2.469 20 0 GEADLO CC[C@@H]([NH2+][C@@H]1CCN(CCC(=O)OC)C1=O)c1nc(C(F)(F)F)cs1 ZINC000594726262 652676319 /nfs/dbraw/zinc/67/63/19/652676319.db2.gz AVSQPWABNNNIHP-NXEZZACHSA-N 1 2 379.404 2.367 20 0 GEADLO CC[C@@H]([NH2+][C@H]1CCN(CCC(=O)OC)C1=O)c1nc(C(F)(F)F)cs1 ZINC000594726265 652676349 /nfs/dbraw/zinc/67/63/49/652676349.db2.gz AVSQPWABNNNIHP-ZJUUUORDSA-N 1 2 379.404 2.367 20 0 GEADLO CC(C)(CNc1cc[nH+]c2c(Br)ccc(F)c12)NS(C)(=O)=O ZINC000669651983 652711556 /nfs/dbraw/zinc/71/15/56/652711556.db2.gz NMJOANPSUVXHOY-UHFFFAOYSA-N 1 2 390.278 2.298 20 0 GEADLO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595831171 652737338 /nfs/dbraw/zinc/73/73/38/652737338.db2.gz YFAXXFHOWDEQRM-ZWNOBZJWSA-N 1 2 376.284 2.487 20 0 GEADLO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595831167 652737446 /nfs/dbraw/zinc/73/74/46/652737446.db2.gz YFAXXFHOWDEQRM-GXFFZTMASA-N 1 2 376.284 2.487 20 0 GEADLO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1=CCS(=O)(=O)C1 ZINC000635532225 652738955 /nfs/dbraw/zinc/73/89/55/652738955.db2.gz FTVNVDRBDREPQG-UHFFFAOYSA-N 1 2 382.913 2.023 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3coc(CO)c3)[nH+]c12 ZINC000635794370 652755067 /nfs/dbraw/zinc/75/50/67/652755067.db2.gz KOGWXGILTMAGRH-UHFFFAOYSA-N 1 2 378.226 2.463 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)s1 ZINC000635842055 652758143 /nfs/dbraw/zinc/75/81/43/652758143.db2.gz FLEOFHBGDCCTOM-JTQLQIEISA-N 1 2 381.401 2.158 20 0 GEADLO O=C(NCc1cc(Br)cs1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671158777 652782206 /nfs/dbraw/zinc/78/22/06/652782206.db2.gz ZFVHNNLLIKIDAK-GFCCVEGCSA-N 1 2 397.298 2.187 20 0 GEADLO CS(=O)(=O)C1(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCCCC1 ZINC000636200644 652785400 /nfs/dbraw/zinc/78/54/00/652785400.db2.gz QOSDLEBCIWAPCK-GFCCVEGCSA-N 1 2 381.420 2.240 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)C1=CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000636281276 652793373 /nfs/dbraw/zinc/79/33/73/652793373.db2.gz NJURYXFAVFRAJZ-CQSZACIVSA-N 1 2 377.293 2.067 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2I)[C@H](C)CO1 ZINC000597998621 652796576 /nfs/dbraw/zinc/79/65/76/652796576.db2.gz POPRDHZIHAHVIN-VXGBXAGGSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2I)[C@H](C)CO1 ZINC000597998621 652796586 /nfs/dbraw/zinc/79/65/86/652796586.db2.gz POPRDHZIHAHVIN-VXGBXAGGSA-N 1 2 388.249 2.130 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000597999456 652797199 /nfs/dbraw/zinc/79/71/99/652797199.db2.gz XDRKZHVILMLOIF-NEPJUHHUSA-N 1 2 399.285 2.075 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000597999456 652797206 /nfs/dbraw/zinc/79/72/06/652797206.db2.gz XDRKZHVILMLOIF-NEPJUHHUSA-N 1 2 399.285 2.075 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccccc1Br ZINC000598190149 652804476 /nfs/dbraw/zinc/80/44/76/652804476.db2.gz DZXJANRNLLMMOG-YGRLFVJLSA-N 1 2 380.242 2.381 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccccc1Br ZINC000598190149 652804479 /nfs/dbraw/zinc/80/44/79/652804479.db2.gz DZXJANRNLLMMOG-YGRLFVJLSA-N 1 2 380.242 2.381 20 0 GEADLO O=C([C@H]1CCC[N@@H+](Cn2ncc(Br)c2C2CC2)C1)N1CCOCC1 ZINC000764863164 652814028 /nfs/dbraw/zinc/81/40/28/652814028.db2.gz AZUNUDABEBEBSE-AWEZNQCLSA-N 1 2 397.317 2.051 20 0 GEADLO O=C([C@H]1CCC[N@H+](Cn2ncc(Br)c2C2CC2)C1)N1CCOCC1 ZINC000764863164 652814034 /nfs/dbraw/zinc/81/40/34/652814034.db2.gz AZUNUDABEBEBSE-AWEZNQCLSA-N 1 2 397.317 2.051 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CCCc1cccc(Br)c1 ZINC000672063156 652826338 /nfs/dbraw/zinc/82/63/38/652826338.db2.gz QLVQKJIOHWQDEU-AWEZNQCLSA-N 1 2 377.242 2.268 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CCCc1cccc(Br)c1 ZINC000672063156 652826344 /nfs/dbraw/zinc/82/63/44/652826344.db2.gz QLVQKJIOHWQDEU-AWEZNQCLSA-N 1 2 377.242 2.268 20 0 GEADLO C[C@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)Oc1ccc(Br)cc1 ZINC000636861583 652826743 /nfs/dbraw/zinc/82/67/43/652826743.db2.gz GHOBRWBXHCNRAU-YPMHNXCESA-N 1 2 379.258 2.337 20 0 GEADLO CNc1cc(I)ccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598947781 652842342 /nfs/dbraw/zinc/84/23/42/652842342.db2.gz MPKBNKIAIYQZCU-NSHDSACASA-N 1 2 396.232 2.274 20 0 GEADLO O=C(NCc1n[nH]cc1Br)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000672824120 652845048 /nfs/dbraw/zinc/84/50/48/652845048.db2.gz FDQJOVSTEFLLIL-UHFFFAOYSA-N 1 2 376.218 2.134 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)cc1O ZINC000673296779 652859721 /nfs/dbraw/zinc/85/97/21/652859721.db2.gz KZXQPHNFOLRJOE-WFASDCNBSA-N 1 2 383.286 2.019 20 0 GEADLO CC(C)(C(=O)N[C@H]1CCc2c[nH+]cn2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000673291498 652859807 /nfs/dbraw/zinc/85/98/07/652859807.db2.gz BAUSRPJEMWSSAM-ZDUSSCGKSA-N 1 2 381.885 2.220 20 0 GEADLO COC(=O)c1cnc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)cn1 ZINC000599351889 652863080 /nfs/dbraw/zinc/86/30/80/652863080.db2.gz KERRATMXHGPLBP-OAHLLOKOSA-N 1 2 380.242 2.191 20 0 GEADLO COC(=O)c1cnc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)cn1 ZINC000599351889 652863083 /nfs/dbraw/zinc/86/30/83/652863083.db2.gz KERRATMXHGPLBP-OAHLLOKOSA-N 1 2 380.242 2.191 20 0 GEADLO CC(=O)Nc1nc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cs1 ZINC000673472226 652864927 /nfs/dbraw/zinc/86/49/27/652864927.db2.gz XLPKNGSBNIEVQO-UHFFFAOYSA-N 1 2 379.511 2.336 20 0 GEADLO CN(C(=O)C[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1)C1CCCCC1 ZINC000637905262 652877043 /nfs/dbraw/zinc/87/70/43/652877043.db2.gz JNWZBIDFGILUQL-UHFFFAOYSA-N 1 2 387.933 2.210 20 0 GEADLO CN(C(=O)C[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1)C1CCCCC1 ZINC000637905262 652877048 /nfs/dbraw/zinc/87/70/48/652877048.db2.gz JNWZBIDFGILUQL-UHFFFAOYSA-N 1 2 387.933 2.210 20 0 GEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OC[C@@H]1CC1(Cl)Cl ZINC000766385939 652878112 /nfs/dbraw/zinc/87/81/12/652878112.db2.gz BPJCRCKMAUOEFE-ZDUSSCGKSA-N 1 2 386.279 2.247 20 0 GEADLO COc1ccccc1C[N@H+](CCO)Cc1cnn2cc(Br)cnc12 ZINC000637942920 652878380 /nfs/dbraw/zinc/87/83/80/652878380.db2.gz WGPRFBRLRLBGEO-UHFFFAOYSA-N 1 2 391.269 2.495 20 0 GEADLO COc1ccccc1C[N@@H+](CCO)Cc1cnn2cc(Br)cnc12 ZINC000637942920 652878384 /nfs/dbraw/zinc/87/83/84/652878384.db2.gz WGPRFBRLRLBGEO-UHFFFAOYSA-N 1 2 391.269 2.495 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)N1CC[NH2+]CC1=O ZINC000637995885 652881006 /nfs/dbraw/zinc/88/10/06/652881006.db2.gz JWLOTHZOAAVUGO-SECBINFHSA-N 1 2 379.766 2.040 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1c[nH]c2ncc(Br)cc12 ZINC000599634949 652881500 /nfs/dbraw/zinc/88/15/00/652881500.db2.gz HDCVBWKLCOKEKZ-YCDSQXFLSA-N 1 2 396.310 2.494 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1c[nH]c2ncc(Br)cc12 ZINC000599634949 652881503 /nfs/dbraw/zinc/88/15/03/652881503.db2.gz HDCVBWKLCOKEKZ-YCDSQXFLSA-N 1 2 396.310 2.494 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)[C@H]2CCC[C@H]21 ZINC000599651667 652882081 /nfs/dbraw/zinc/88/20/81/652882081.db2.gz ZTFUORBTNLGFQD-ZNMIVQPWSA-N 1 2 386.539 2.162 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)[C@H]2CCC[C@H]21 ZINC000599651667 652882083 /nfs/dbraw/zinc/88/20/83/652882083.db2.gz ZTFUORBTNLGFQD-ZNMIVQPWSA-N 1 2 386.539 2.162 20 0 GEADLO COC1CC[NH+](CCNC(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000674309617 652893501 /nfs/dbraw/zinc/89/35/01/652893501.db2.gz NYOPFMRAYALFLW-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO Cc1cnc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)s1 ZINC000638634618 652899981 /nfs/dbraw/zinc/89/99/81/652899981.db2.gz RPFYKYNRVZVJRH-UHFFFAOYSA-N 1 2 376.301 2.151 20 0 GEADLO CO[C@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1CCOC1 ZINC000638886902 652909947 /nfs/dbraw/zinc/90/99/47/652909947.db2.gz MCCHKIQIGIDUSU-TZMCWYRMSA-N 1 2 381.274 2.375 20 0 GEADLO COc1nsc(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1Br ZINC000639067146 652918983 /nfs/dbraw/zinc/91/89/83/652918983.db2.gz VJZQXHQWIPFZFI-UHFFFAOYSA-N 1 2 399.314 2.436 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccncc2OCC(F)(F)F)s1 ZINC000639137026 652921911 /nfs/dbraw/zinc/92/19/11/652921911.db2.gz XKEQGOGCMYASSW-UHFFFAOYSA-N 1 2 381.401 2.021 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1Cl ZINC000639163176 652924225 /nfs/dbraw/zinc/92/42/25/652924225.db2.gz UQTAQFDOZGOWKY-CYBMUJFWSA-N 1 2 386.823 2.267 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1Cl ZINC000639163176 652924231 /nfs/dbraw/zinc/92/42/31/652924231.db2.gz UQTAQFDOZGOWKY-CYBMUJFWSA-N 1 2 386.823 2.267 20 0 GEADLO C[C@](CO)([NH2+]Cc1nnnn1-c1ccccc1Br)c1ccccc1 ZINC000600645905 652924426 /nfs/dbraw/zinc/92/44/26/652924426.db2.gz MSWRIABYGVGMNP-QGZVFWFLSA-N 1 2 388.269 2.422 20 0 GEADLO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000675495784 652929270 /nfs/dbraw/zinc/92/92/70/652929270.db2.gz KLFKUFUONCEAQR-NSHDSACASA-N 1 2 383.857 2.008 20 0 GEADLO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000675495784 652929274 /nfs/dbraw/zinc/92/92/74/652929274.db2.gz KLFKUFUONCEAQR-NSHDSACASA-N 1 2 383.857 2.008 20 0 GEADLO COc1ccc(Br)c(CC(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767578189 652934760 /nfs/dbraw/zinc/93/47/60/652934760.db2.gz QTLJHNYYUQSEDY-GASCZTMLSA-N 1 2 384.270 2.407 20 0 GEADLO COc1ccc(Br)c(CC(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767578189 652934764 /nfs/dbraw/zinc/93/47/64/652934764.db2.gz QTLJHNYYUQSEDY-GASCZTMLSA-N 1 2 384.270 2.407 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639449080 652937239 /nfs/dbraw/zinc/93/72/39/652937239.db2.gz AKPGZSIZLGEXBI-HZSPNIEDSA-N 1 2 384.464 2.328 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639449080 652937244 /nfs/dbraw/zinc/93/72/44/652937244.db2.gz AKPGZSIZLGEXBI-HZSPNIEDSA-N 1 2 384.464 2.328 20 0 GEADLO Cc1nc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)sc1C ZINC000767751762 652948108 /nfs/dbraw/zinc/94/81/08/652948108.db2.gz WWOMGOFNYDVWNM-UHFFFAOYSA-N 1 2 380.539 2.454 20 0 GEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3ccncc3Cl)CC2)cc1 ZINC000767751988 652948589 /nfs/dbraw/zinc/94/85/89/652948589.db2.gz SNYBBPRSMLMAQW-UHFFFAOYSA-N 1 2 380.901 2.429 20 0 GEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)cc1 ZINC000767752141 652948784 /nfs/dbraw/zinc/94/87/84/652948784.db2.gz XEYZSQWOBZILKC-UHFFFAOYSA-N 1 2 380.901 2.429 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)NCc1ccco1 ZINC000639773511 652953995 /nfs/dbraw/zinc/95/39/95/652953995.db2.gz POPFIJOLDZSPQO-CQSZACIVSA-N 1 2 380.242 2.207 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)NCc1ccco1 ZINC000639773511 652954003 /nfs/dbraw/zinc/95/40/03/652954003.db2.gz POPFIJOLDZSPQO-CQSZACIVSA-N 1 2 380.242 2.207 20 0 GEADLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639774258 652954219 /nfs/dbraw/zinc/95/42/19/652954219.db2.gz TYFCZGHYWUUKGW-WCQYABFASA-N 1 2 392.257 2.114 20 0 GEADLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639774258 652954222 /nfs/dbraw/zinc/95/42/22/652954222.db2.gz TYFCZGHYWUUKGW-WCQYABFASA-N 1 2 392.257 2.114 20 0 GEADLO Cc1cc(NCCNC(=O)NCc2n[nH]cc2Br)nc(C(C)C)[nH+]1 ZINC000623639622 653007822 /nfs/dbraw/zinc/00/78/22/653007822.db2.gz APSXEWYZGGTUCU-UHFFFAOYSA-N 1 2 396.293 2.305 20 0 GEADLO CC[C@@]1(O)CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000640033896 653094074 /nfs/dbraw/zinc/09/40/74/653094074.db2.gz XGPVUJQIWUVARS-OAHLLOKOSA-N 1 2 376.316 2.460 20 0 GEADLO CC[C@@]1(O)CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000640033896 653094077 /nfs/dbraw/zinc/09/40/77/653094077.db2.gz XGPVUJQIWUVARS-OAHLLOKOSA-N 1 2 376.316 2.460 20 0 GEADLO Cc1ccc(SCCNC(=O)C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000640041522 653094336 /nfs/dbraw/zinc/09/43/36/653094336.db2.gz ZHHPFPBHAIZCMI-DZGCQCFKSA-N 1 2 376.444 2.306 20 0 GEADLO Cc1ccc(SCCNC(=O)C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000640041522 653094339 /nfs/dbraw/zinc/09/43/39/653094339.db2.gz ZHHPFPBHAIZCMI-DZGCQCFKSA-N 1 2 376.444 2.306 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000768062153 653100196 /nfs/dbraw/zinc/10/01/96/653100196.db2.gz JVFXAXFOEUAEKT-CYBMUJFWSA-N 1 2 390.311 2.218 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000768062153 653100203 /nfs/dbraw/zinc/10/02/03/653100203.db2.gz JVFXAXFOEUAEKT-CYBMUJFWSA-N 1 2 390.311 2.218 20 0 GEADLO Cn1cc(Br)c(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000640309479 653114266 /nfs/dbraw/zinc/11/42/66/653114266.db2.gz MTRVDUZHMRPQPQ-UHFFFAOYSA-N 1 2 393.289 2.890 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000768562656 653117287 /nfs/dbraw/zinc/11/72/87/653117287.db2.gz PEQSVHWFTALADI-DTWKUNHWSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000768562656 653117289 /nfs/dbraw/zinc/11/72/89/653117289.db2.gz PEQSVHWFTALADI-DTWKUNHWSA-N 1 2 382.711 2.211 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000805469812 653118605 /nfs/dbraw/zinc/11/86/05/653118605.db2.gz JDNGEWZMAJKATM-DOMZBBRYSA-N 1 2 399.285 2.348 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000805469812 653118607 /nfs/dbraw/zinc/11/86/07/653118607.db2.gz JDNGEWZMAJKATM-DOMZBBRYSA-N 1 2 399.285 2.348 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000805475604 653119009 /nfs/dbraw/zinc/11/90/09/653119009.db2.gz VIZOVOBDBRBVHZ-WFASDCNBSA-N 1 2 399.285 2.348 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000805475604 653119012 /nfs/dbraw/zinc/11/90/12/653119012.db2.gz VIZOVOBDBRBVHZ-WFASDCNBSA-N 1 2 399.285 2.348 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)C1 ZINC000805479168 653119282 /nfs/dbraw/zinc/11/92/82/653119282.db2.gz LHECKFGGCLCLCH-UONOGXRCSA-N 1 2 376.236 2.471 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)C1 ZINC000805479168 653119284 /nfs/dbraw/zinc/11/92/84/653119284.db2.gz LHECKFGGCLCLCH-UONOGXRCSA-N 1 2 376.236 2.471 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)C1 ZINC000805476786 653119316 /nfs/dbraw/zinc/11/93/16/653119316.db2.gz ZQDVQNQAUNAGKC-KGLIPLIRSA-N 1 2 376.236 2.471 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)C1 ZINC000805476786 653119318 /nfs/dbraw/zinc/11/93/18/653119318.db2.gz ZQDVQNQAUNAGKC-KGLIPLIRSA-N 1 2 376.236 2.471 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2OC)CC[N@@H+]1CCOC ZINC000678039999 653124609 /nfs/dbraw/zinc/12/46/09/653124609.db2.gz MMBNHDPUBLPEBF-OAHLLOKOSA-N 1 2 390.933 2.470 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2OC)CC[N@H+]1CCOC ZINC000678039999 653124611 /nfs/dbraw/zinc/12/46/11/653124611.db2.gz MMBNHDPUBLPEBF-OAHLLOKOSA-N 1 2 390.933 2.470 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000678095930 653126627 /nfs/dbraw/zinc/12/66/27/653126627.db2.gz FJPROIBLJLKZBG-INIZCTEOSA-N 1 2 391.269 2.126 20 0 GEADLO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH+]ccn2c1 ZINC000678719484 653131490 /nfs/dbraw/zinc/13/14/90/653131490.db2.gz BKNWXVBTDUSXPY-UHFFFAOYSA-N 1 2 399.881 2.333 20 0 GEADLO C[N@H+](CC(=O)OCC(=O)Nc1ccccc1Br)[C@@H]1CCSC1 ZINC000772050113 653137972 /nfs/dbraw/zinc/13/79/72/653137972.db2.gz UNXWGKPYMDVNEN-LLVKDONJSA-N 1 2 387.299 2.368 20 0 GEADLO C[N@@H+](CC(=O)OCC(=O)Nc1ccccc1Br)[C@@H]1CCSC1 ZINC000772050113 653137977 /nfs/dbraw/zinc/13/79/77/653137977.db2.gz UNXWGKPYMDVNEN-LLVKDONJSA-N 1 2 387.299 2.368 20 0 GEADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ncc(Br)s1 ZINC000679067159 653138064 /nfs/dbraw/zinc/13/80/64/653138064.db2.gz QCCISJSOAURBEE-WCABBAIRSA-N 1 2 384.303 2.484 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn(CCSc3ccc(Cl)cc3)nn2)C1 ZINC000640838586 653140753 /nfs/dbraw/zinc/14/07/53/653140753.db2.gz JEOCYZGJQYZOEW-ZDUSSCGKSA-N 1 2 386.930 2.001 20 0 GEADLO CCOC(=O)C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C(F)(F)F ZINC000602180232 653155221 /nfs/dbraw/zinc/15/52/21/653155221.db2.gz RITMZXYZMZDVGC-IUCAKERBSA-N 1 2 375.269 2.377 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000769482094 653159163 /nfs/dbraw/zinc/15/91/63/653159163.db2.gz YUOCCGYMNMASOC-RUZDIDTESA-N 1 2 380.945 2.330 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000806344208 653159986 /nfs/dbraw/zinc/15/99/86/653159986.db2.gz XDNVXVBRWYUCDT-STQMWFEESA-N 1 2 383.290 2.479 20 0 GEADLO COCC[N@H+](C)Cc1cn(Cc2nc3cc(Br)ccc3o2)nn1 ZINC000641129443 653160440 /nfs/dbraw/zinc/16/04/40/653160440.db2.gz BCHVHOVYYSUCHJ-UHFFFAOYSA-N 1 2 380.246 2.308 20 0 GEADLO COCC[N@@H+](C)Cc1cn(Cc2nc3cc(Br)ccc3o2)nn1 ZINC000641129443 653160443 /nfs/dbraw/zinc/16/04/43/653160443.db2.gz BCHVHOVYYSUCHJ-UHFFFAOYSA-N 1 2 380.246 2.308 20 0 GEADLO Brc1ccc2nc(Cn3cc(CC[NH+]4CCOCC4)nn3)oc2c1 ZINC000641131250 653160954 /nfs/dbraw/zinc/16/09/54/653160954.db2.gz XIAQBHWXHOLHGB-UHFFFAOYSA-N 1 2 392.257 2.105 20 0 GEADLO COCC(=O)NC1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC1 ZINC000680327188 653164015 /nfs/dbraw/zinc/16/40/15/653164015.db2.gz NPXNUIVGYZGYMM-UHFFFAOYSA-N 1 2 395.301 2.132 20 0 GEADLO Cn1cc(C[NH+]2CCN(C[C@@H](O)c3cccc(Br)c3)CC2)cn1 ZINC000772752432 653164231 /nfs/dbraw/zinc/16/42/31/653164231.db2.gz UOFCWJPDBREDBA-QGZVFWFLSA-N 1 2 379.302 2.034 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1ccc(N(C)C)[nH+]c1 ZINC000772927375 653171737 /nfs/dbraw/zinc/17/17/37/653171737.db2.gz HBOWLCFZLAILGU-ZDUSSCGKSA-N 1 2 383.905 2.278 20 0 GEADLO Cc1cnc(C[NH2+]C[C@H](O)COc2ccc(I)cc2)o1 ZINC000602536174 653189072 /nfs/dbraw/zinc/18/90/72/653189072.db2.gz ZZZCOTACBUQMMA-LBPRGKRZSA-N 1 2 388.205 2.117 20 0 GEADLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)c1cn(C)c(Cl)n1)c1ccccc1 ZINC000769907614 653189369 /nfs/dbraw/zinc/18/93/69/653189369.db2.gz SACVDDZEDDOGGE-ZDUSSCGKSA-N 1 2 379.873 2.069 20 0 GEADLO COc1cc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)sc1Br ZINC000682004539 653202652 /nfs/dbraw/zinc/20/26/52/653202652.db2.gz HFGHOOSTNCYBFA-UHFFFAOYSA-N 1 2 377.304 2.048 20 0 GEADLO COc1cc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)sc1Br ZINC000682004539 653202658 /nfs/dbraw/zinc/20/26/58/653202658.db2.gz HFGHOOSTNCYBFA-UHFFFAOYSA-N 1 2 377.304 2.048 20 0 GEADLO COc1ccc(I)c(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000602832327 653208742 /nfs/dbraw/zinc/20/87/42/653208742.db2.gz WUMYAJNIFIJETD-SECBINFHSA-N 1 2 398.204 2.243 20 0 GEADLO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682476823 653211405 /nfs/dbraw/zinc/21/14/05/653211405.db2.gz SLQUUARDMPCENF-GFCCVEGCSA-N 1 2 392.253 2.296 20 0 GEADLO COC(=O)c1c(Br)ccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1C ZINC000602991013 653219709 /nfs/dbraw/zinc/21/97/09/653219709.db2.gz QRLDYCIUVPQPST-JTQLQIEISA-N 1 2 393.241 2.487 20 0 GEADLO CO[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000682690457 653221493 /nfs/dbraw/zinc/22/14/93/653221493.db2.gz ITHBGKBHOTZKCH-JKSUJKDBSA-N 1 2 383.286 2.417 20 0 GEADLO COCCOCC[N@H+](C)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000808237251 653223567 /nfs/dbraw/zinc/22/35/67/653223567.db2.gz IEYNUGNZTPDKPG-UHFFFAOYSA-N 1 2 377.210 2.048 20 0 GEADLO COCCOCC[N@@H+](C)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000808237251 653223571 /nfs/dbraw/zinc/22/35/71/653223571.db2.gz IEYNUGNZTPDKPG-UHFFFAOYSA-N 1 2 377.210 2.048 20 0 GEADLO Cn1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(-c2ccc(Cl)s2)n1 ZINC000682808726 653223930 /nfs/dbraw/zinc/22/39/30/653223930.db2.gz KEZGFSMATKXYIY-LBPRGKRZSA-N 1 2 380.901 2.349 20 0 GEADLO Cc1[nH]nc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1Br ZINC000771066579 653230292 /nfs/dbraw/zinc/23/02/92/653230292.db2.gz ZFAQMUMWBUFNFI-UHFFFAOYSA-N 1 2 380.246 2.273 20 0 GEADLO O=S(=O)(CC[C@@H]1CCCO1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000683197031 653231007 /nfs/dbraw/zinc/23/10/07/653231007.db2.gz LFEONUVTBIHERP-MSOLQXFVSA-N 1 2 384.567 2.093 20 0 GEADLO O=S(=O)(CC[C@@H]1CCCO1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000683197031 653231008 /nfs/dbraw/zinc/23/10/08/653231008.db2.gz LFEONUVTBIHERP-MSOLQXFVSA-N 1 2 384.567 2.093 20 0 GEADLO O=S(=O)(CC[C@H]1CCCO1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000683197034 653231036 /nfs/dbraw/zinc/23/10/36/653231036.db2.gz LFEONUVTBIHERP-ZWKOTPCHSA-N 1 2 384.567 2.093 20 0 GEADLO O=S(=O)(CC[C@H]1CCCO1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000683197034 653231042 /nfs/dbraw/zinc/23/10/42/653231042.db2.gz LFEONUVTBIHERP-ZWKOTPCHSA-N 1 2 384.567 2.093 20 0 GEADLO O=S(=O)(CC[C@@H]1CCCO1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000683197033 653231080 /nfs/dbraw/zinc/23/10/80/653231080.db2.gz LFEONUVTBIHERP-ROUUACIJSA-N 1 2 384.567 2.093 20 0 GEADLO O=S(=O)(CC[C@@H]1CCCO1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000683197033 653231083 /nfs/dbraw/zinc/23/10/83/653231083.db2.gz LFEONUVTBIHERP-ROUUACIJSA-N 1 2 384.567 2.093 20 0 GEADLO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1nc2ccccn2c1Br ZINC000809640150 653286101 /nfs/dbraw/zinc/28/61/01/653286101.db2.gz AZQNVTSDVIUMDL-INIZCTEOSA-N 1 2 384.274 2.279 20 0 GEADLO Cn1nc(Br)cc1C[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000809690142 653290576 /nfs/dbraw/zinc/29/05/76/653290576.db2.gz INZRSFFRDAXNLM-SNVBAGLBSA-N 1 2 397.239 2.463 20 0 GEADLO Cn1nc(Br)cc1C[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000809690142 653290598 /nfs/dbraw/zinc/29/05/98/653290598.db2.gz INZRSFFRDAXNLM-SNVBAGLBSA-N 1 2 397.239 2.463 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000809757287 653294095 /nfs/dbraw/zinc/29/40/95/653294095.db2.gz MCNHGKHGIKCZEY-YOEHRIQHSA-N 1 2 389.949 2.332 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CCC[C@@]1(C)CCCO ZINC000809757287 653294125 /nfs/dbraw/zinc/29/41/25/653294125.db2.gz MCNHGKHGIKCZEY-YOEHRIQHSA-N 1 2 389.949 2.332 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000775181742 653301864 /nfs/dbraw/zinc/30/18/64/653301864.db2.gz KVJJNYNQNQNVSF-UKRRQHHQSA-N 1 2 384.307 2.029 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000775181742 653301873 /nfs/dbraw/zinc/30/18/73/653301873.db2.gz KVJJNYNQNQNVSF-UKRRQHHQSA-N 1 2 384.307 2.029 20 0 GEADLO CCN(CC)C(=O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775488124 653314550 /nfs/dbraw/zinc/31/45/50/653314550.db2.gz HRHANCXOYDRUEX-ZDUSSCGKSA-N 1 2 389.315 2.126 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(Cl)ncc1Br ZINC000874708259 653333717 /nfs/dbraw/zinc/33/37/17/653333717.db2.gz LCJOVBRSFNBALE-JTQLQIEISA-N 1 2 376.682 2.338 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(Cl)ncc1Br ZINC000874708259 653333720 /nfs/dbraw/zinc/33/37/20/653333720.db2.gz LCJOVBRSFNBALE-JTQLQIEISA-N 1 2 376.682 2.338 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000874709487 653333753 /nfs/dbraw/zinc/33/37/53/653333753.db2.gz DOHSIFICHNZHIW-GFCCVEGCSA-N 1 2 387.322 2.241 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000874709487 653333756 /nfs/dbraw/zinc/33/37/56/653333756.db2.gz DOHSIFICHNZHIW-GFCCVEGCSA-N 1 2 387.322 2.241 20 0 GEADLO Cc1cnc(Br)cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000776055578 653337333 /nfs/dbraw/zinc/33/73/33/653337333.db2.gz YOBUHUDHNDGKCS-CYBMUJFWSA-N 1 2 383.290 2.481 20 0 GEADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1c(Br)nnn1C)c1ccccc1 ZINC000810452820 653340368 /nfs/dbraw/zinc/34/03/68/653340368.db2.gz WQLZYRMYZHTPDB-LBPRGKRZSA-N 1 2 389.257 2.025 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1nc(Br)ccc1Br ZINC000857888287 653342132 /nfs/dbraw/zinc/34/21/32/653342132.db2.gz XXEDSBAKSBPHHC-SSDOTTSWSA-N 1 2 386.047 2.158 20 0 GEADLO O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCc2nccc(Br)c2C1 ZINC000857965096 653344297 /nfs/dbraw/zinc/34/42/97/653344297.db2.gz DYXYGPGQSREMPV-KRWDZBQOSA-N 1 2 394.313 2.372 20 0 GEADLO O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCc2nccc(Br)c2C1 ZINC000857965096 653344305 /nfs/dbraw/zinc/34/43/05/653344305.db2.gz DYXYGPGQSREMPV-KRWDZBQOSA-N 1 2 394.313 2.372 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000857986301 653346852 /nfs/dbraw/zinc/34/68/52/653346852.db2.gz PCKKUXPDHYKQMH-ZIAGYGMSSA-N 1 2 389.253 2.260 20 0 GEADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(Br)nc1 ZINC000810595966 653348162 /nfs/dbraw/zinc/34/81/62/653348162.db2.gz OKXDUJAMBICPAC-CYBMUJFWSA-N 1 2 394.273 2.279 20 0 GEADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(Br)nc1 ZINC000810595966 653348173 /nfs/dbraw/zinc/34/81/73/653348173.db2.gz OKXDUJAMBICPAC-CYBMUJFWSA-N 1 2 394.273 2.279 20 0 GEADLO Cn1cc(C[NH2+]Cc2cc(F)ccc2N2CCOCC2)c(Br)n1 ZINC000858142584 653350099 /nfs/dbraw/zinc/35/00/99/653350099.db2.gz GHVSVKPWHMXYJM-UHFFFAOYSA-N 1 2 383.265 2.448 20 0 GEADLO Cn1nc(Cl)c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1Cl ZINC000858178272 653352642 /nfs/dbraw/zinc/35/26/42/653352642.db2.gz LSBZMWHRCPXXAR-CYBMUJFWSA-N 1 2 383.279 2.358 20 0 GEADLO Cn1nc(Cl)c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Cl ZINC000858178272 653352650 /nfs/dbraw/zinc/35/26/50/653352650.db2.gz LSBZMWHRCPXXAR-CYBMUJFWSA-N 1 2 383.279 2.358 20 0 GEADLO CCS(=O)(=O)CCN(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000836504730 653356578 /nfs/dbraw/zinc/35/65/78/653356578.db2.gz YJAYPCVJHGGZPL-UHFFFAOYSA-N 1 2 384.889 2.102 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)OCc2ccc(Br)cc2)CC1 ZINC000858903841 653384207 /nfs/dbraw/zinc/38/42/07/653384207.db2.gz ZVSZXBSCUYCIOR-UHFFFAOYSA-N 1 2 398.301 2.230 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)OCc2ccc(Br)cc2)CC1 ZINC000858903841 653384210 /nfs/dbraw/zinc/38/42/10/653384210.db2.gz ZVSZXBSCUYCIOR-UHFFFAOYSA-N 1 2 398.301 2.230 20 0 GEADLO O=C([C@H]1CCC(=O)O1)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000875793087 653390990 /nfs/dbraw/zinc/39/09/90/653390990.db2.gz GVFYOJGSTRCXAM-CYBMUJFWSA-N 1 2 393.241 2.170 20 0 GEADLO COCC[N@H+](CCC(=O)OC)Cc1cn(-c2ccccc2Br)nn1 ZINC000811464117 653393899 /nfs/dbraw/zinc/39/38/99/653393899.db2.gz PYTTZFXOQHFFQA-UHFFFAOYSA-N 1 2 397.273 2.041 20 0 GEADLO COCC[N@@H+](CCC(=O)OC)Cc1cn(-c2ccccc2Br)nn1 ZINC000811464117 653393902 /nfs/dbraw/zinc/39/39/02/653393902.db2.gz PYTTZFXOQHFFQA-UHFFFAOYSA-N 1 2 397.273 2.041 20 0 GEADLO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cn1cc(I)cn1)C2 ZINC000777556393 653401669 /nfs/dbraw/zinc/40/16/69/653401669.db2.gz KYLQTQAGYXSNKO-HNNXBMFYSA-N 1 2 394.216 2.041 20 0 GEADLO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cn1cc(I)cn1)C2 ZINC000777556393 653401674 /nfs/dbraw/zinc/40/16/74/653401674.db2.gz KYLQTQAGYXSNKO-HNNXBMFYSA-N 1 2 394.216 2.041 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1Cl ZINC000859092804 653404073 /nfs/dbraw/zinc/40/40/73/653404073.db2.gz UHAYCIRLHJZDGZ-WDEREUQCSA-N 1 2 375.878 2.231 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1Cl ZINC000859092804 653404078 /nfs/dbraw/zinc/40/40/78/653404078.db2.gz UHAYCIRLHJZDGZ-WDEREUQCSA-N 1 2 375.878 2.231 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)cc1Cl ZINC000859090559 653404087 /nfs/dbraw/zinc/40/40/87/653404087.db2.gz UBGLYFREHNBUCD-UHFFFAOYSA-N 1 2 375.878 2.233 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)cc1Cl ZINC000859090559 653404092 /nfs/dbraw/zinc/40/40/92/653404092.db2.gz UBGLYFREHNBUCD-UHFFFAOYSA-N 1 2 375.878 2.233 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc2ccc(Br)cc2n1 ZINC000811813054 653406988 /nfs/dbraw/zinc/40/69/88/653406988.db2.gz IKTFSLCECISVOX-HNNXBMFYSA-N 1 2 380.286 2.127 20 0 GEADLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(Br)nc1F ZINC000859180561 653418114 /nfs/dbraw/zinc/41/81/14/653418114.db2.gz IMTYSGUYBRZDGQ-JTQLQIEISA-N 1 2 380.283 2.088 20 0 GEADLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(Br)nc1F ZINC000859180561 653418120 /nfs/dbraw/zinc/41/81/20/653418120.db2.gz IMTYSGUYBRZDGQ-JTQLQIEISA-N 1 2 380.283 2.088 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000876374413 653427013 /nfs/dbraw/zinc/42/70/13/653427013.db2.gz GIYDCUNOYYYTEA-UHFFFAOYSA-N 1 2 380.798 2.227 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000812552492 653435116 /nfs/dbraw/zinc/43/51/16/653435116.db2.gz RBIWKFJGUXDAJC-SMDDNHRTSA-N 1 2 380.242 2.107 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cccnc1Br ZINC000876590989 653436989 /nfs/dbraw/zinc/43/69/89/653436989.db2.gz CNBDYHZCHLHHNU-ZDUSSCGKSA-N 1 2 376.320 2.138 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cccnc1Br ZINC000876590989 653436993 /nfs/dbraw/zinc/43/69/93/653436993.db2.gz CNBDYHZCHLHHNU-ZDUSSCGKSA-N 1 2 376.320 2.138 20 0 GEADLO Cc1ccnc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c1Br ZINC000876636737 653440255 /nfs/dbraw/zinc/44/02/55/653440255.db2.gz LPHCZHKFFZIMGH-CQSZACIVSA-N 1 2 375.307 2.387 20 0 GEADLO Cc1ccnc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c1Br ZINC000876636737 653440259 /nfs/dbraw/zinc/44/02/59/653440259.db2.gz LPHCZHKFFZIMGH-CQSZACIVSA-N 1 2 375.307 2.387 20 0 GEADLO CC[N@H+](Cc1ccc(C(=O)OC)c(Br)c1)[C@@H](C)CS(C)(=O)=O ZINC000876736238 653445504 /nfs/dbraw/zinc/44/55/04/653445504.db2.gz KCAQPICJMWFPQX-NSHDSACASA-N 1 2 392.315 2.491 20 0 GEADLO CC[N@@H+](Cc1ccc(C(=O)OC)c(Br)c1)[C@@H](C)CS(C)(=O)=O ZINC000876736238 653445508 /nfs/dbraw/zinc/44/55/08/653445508.db2.gz KCAQPICJMWFPQX-NSHDSACASA-N 1 2 392.315 2.491 20 0 GEADLO COCC1(O)CC[NH+](Cc2cccc(F)c2I)CC1 ZINC000876749220 653445867 /nfs/dbraw/zinc/44/58/67/653445867.db2.gz JAHOZIDSSSEVAK-UHFFFAOYSA-N 1 2 379.213 2.404 20 0 GEADLO O=Cc1cnc2c(Br)cc(C(=O)N3CC[NH+](C4CCC4)CC3)cn12 ZINC000859374282 653452836 /nfs/dbraw/zinc/45/28/36/653452836.db2.gz HNKAUBHUQOFBGN-UHFFFAOYSA-N 1 2 391.269 2.220 20 0 GEADLO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2nc(Cl)cs2)cc1 ZINC000876982753 653457930 /nfs/dbraw/zinc/45/79/30/653457930.db2.gz GFCKNIPXIXKVCH-UHFFFAOYSA-N 1 2 375.903 2.011 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cccnc3Br)C2)nn1 ZINC000877363223 653479038 /nfs/dbraw/zinc/47/90/38/653479038.db2.gz BPUIXOJIJQJOKI-GFCCVEGCSA-N 1 2 380.246 2.059 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cccnc3Br)C2)nn1 ZINC000877363223 653479047 /nfs/dbraw/zinc/47/90/47/653479047.db2.gz BPUIXOJIJQJOKI-GFCCVEGCSA-N 1 2 380.246 2.059 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000779563837 653487084 /nfs/dbraw/zinc/48/70/84/653487084.db2.gz IWINRZBCOLZJMT-QMTHXVAHSA-N 1 2 386.235 2.315 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000779563835 653489037 /nfs/dbraw/zinc/48/90/37/653489037.db2.gz IWINRZBCOLZJMT-IINYFYTJSA-N 1 2 386.235 2.315 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000859774837 653528013 /nfs/dbraw/zinc/52/80/13/653528013.db2.gz YVMDOHRMDWVLKC-UHFFFAOYSA-N 1 2 386.945 2.300 20 0 GEADLO CC1(N2CCOCC2)CC[NH+](CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000859774837 653528028 /nfs/dbraw/zinc/52/80/28/653528028.db2.gz YVMDOHRMDWVLKC-UHFFFAOYSA-N 1 2 386.945 2.300 20 0 GEADLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3cn(C)nc3Br)Cc3cccnc3N2C1 ZINC000877690079 653616820 /nfs/dbraw/zinc/61/68/20/653616820.db2.gz DIJKHDABORVOKP-HUUCEWRRSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3cn(C)nc3Br)Cc3cccnc3N2C1 ZINC000877690079 653616823 /nfs/dbraw/zinc/61/68/23/653616823.db2.gz DIJKHDABORVOKP-HUUCEWRRSA-N 1 2 392.301 2.187 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(CCc2ccccc2Br)CC1 ZINC000877924807 653623464 /nfs/dbraw/zinc/62/34/64/653623464.db2.gz GFCBSFALQIWWCM-UHFFFAOYSA-N 1 2 382.346 2.478 20 0 GEADLO Cn1ncc(Br)c1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000877992255 653625461 /nfs/dbraw/zinc/62/54/61/653625461.db2.gz STNBGRNMWKAAHY-UHFFFAOYSA-N 1 2 383.315 2.131 20 0 GEADLO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000878008273 653626387 /nfs/dbraw/zinc/62/63/87/653626387.db2.gz YMKMLGMGHZUZMK-SECBINFHSA-N 1 2 379.214 2.163 20 0 GEADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@H](O)c1cc(Br)no1 ZINC000878126896 653629573 /nfs/dbraw/zinc/62/95/73/653629573.db2.gz USDSPLPDRNQBTN-LBPRGKRZSA-N 1 2 389.271 2.006 20 0 GEADLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@H](O)c1cc(Br)no1 ZINC000878126896 653629574 /nfs/dbraw/zinc/62/95/74/653629574.db2.gz USDSPLPDRNQBTN-LBPRGKRZSA-N 1 2 389.271 2.006 20 0 GEADLO CC(C)(C)n1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(Br)n1 ZINC000780674297 653630573 /nfs/dbraw/zinc/63/05/73/653630573.db2.gz CJQBVKBENXXJPY-CYBMUJFWSA-N 1 2 399.333 2.337 20 0 GEADLO OCC[N@@H+](Cc1cccnc1Cl)C[C@@H](O)c1cc(Br)no1 ZINC000878543872 653640583 /nfs/dbraw/zinc/64/05/83/653640583.db2.gz DOCRCZHQGVMIOK-SNVBAGLBSA-N 1 2 376.638 2.013 20 0 GEADLO OCC[N@H+](Cc1cccnc1Cl)C[C@@H](O)c1cc(Br)no1 ZINC000878543872 653640587 /nfs/dbraw/zinc/64/05/87/653640587.db2.gz DOCRCZHQGVMIOK-SNVBAGLBSA-N 1 2 376.638 2.013 20 0 GEADLO C[C@](CO)([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(Br)cc1 ZINC000878602640 653642232 /nfs/dbraw/zinc/64/22/32/653642232.db2.gz AZOJRANPKBXYFR-QGZVFWFLSA-N 1 2 394.269 2.015 20 0 GEADLO NC(=O)[C@@H](F)C1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000879041631 653656233 /nfs/dbraw/zinc/65/62/33/653656233.db2.gz IJVLXAQUKSDCDO-ZDUSSCGKSA-N 1 2 376.213 2.327 20 0 GEADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878616444 653642733 /nfs/dbraw/zinc/64/27/33/653642733.db2.gz YZOOGAXKILHBOW-RYUDHWBXSA-N 1 2 390.278 2.413 20 0 GEADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878616444 653642736 /nfs/dbraw/zinc/64/27/36/653642736.db2.gz YZOOGAXKILHBOW-RYUDHWBXSA-N 1 2 390.278 2.413 20 0 GEADLO COCCS(=O)(=O)CCC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839202793 653644461 /nfs/dbraw/zinc/64/44/61/653644461.db2.gz OINGRUQKNVDTDB-UHFFFAOYSA-N 1 2 376.906 2.030 20 0 GEADLO C[N@@H+](Cc1nc2c(c(=O)[nH]1)COCC2)C[C@H](O)c1ccccc1Br ZINC000878690507 653644770 /nfs/dbraw/zinc/64/47/70/653644770.db2.gz CWAIOIPMBYVZPA-HNNXBMFYSA-N 1 2 394.269 2.183 20 0 GEADLO C[N@H+](Cc1nc2c(c(=O)[nH]1)COCC2)C[C@H](O)c1ccccc1Br ZINC000878690507 653644773 /nfs/dbraw/zinc/64/47/73/653644773.db2.gz CWAIOIPMBYVZPA-HNNXBMFYSA-N 1 2 394.269 2.183 20 0 GEADLO NC(=O)c1cc(OC2CC[NH+](Cc3ccnc(Br)c3)CC2)ccn1 ZINC000815078658 653650096 /nfs/dbraw/zinc/65/00/96/653650096.db2.gz DWCWPSBPMWEEIQ-UHFFFAOYSA-N 1 2 391.269 2.381 20 0 GEADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000862542506 653688096 /nfs/dbraw/zinc/68/80/96/653688096.db2.gz QXHIXWHXWMNBJH-SSDOTTSWSA-N 1 2 396.079 2.415 20 0 GEADLO CN(C)c1cc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)ccn1 ZINC000782176891 653656032 /nfs/dbraw/zinc/65/60/32/653656032.db2.gz ZGRAFMFNNCCHFS-UHFFFAOYSA-N 1 2 378.274 2.376 20 0 GEADLO CN(C)c1cc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)ccn1 ZINC000782176891 653656037 /nfs/dbraw/zinc/65/60/37/653656037.db2.gz ZGRAFMFNNCCHFS-UHFFFAOYSA-N 1 2 378.274 2.376 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1 ZINC000879058878 653657424 /nfs/dbraw/zinc/65/74/24/653657424.db2.gz WTFIAEQFGUWUGC-MXASKKJJSA-N 1 2 384.929 2.415 20 0 GEADLO CNC(=O)Cc1nc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)cs1 ZINC000839638558 653659130 /nfs/dbraw/zinc/65/91/30/653659130.db2.gz DLZVQCUABCWGDU-CQSZACIVSA-N 1 2 398.326 2.360 20 0 GEADLO CNC(=O)Cc1nc(C[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)cs1 ZINC000839638558 653659133 /nfs/dbraw/zinc/65/91/33/653659133.db2.gz DLZVQCUABCWGDU-CQSZACIVSA-N 1 2 398.326 2.360 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1(C)C ZINC000861513678 653660476 /nfs/dbraw/zinc/66/04/76/653660476.db2.gz LWCBLWNPWCEMJX-UHFFFAOYSA-N 1 2 379.258 2.076 20 0 GEADLO C[N@H+]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1(C)C ZINC000861513678 653660480 /nfs/dbraw/zinc/66/04/80/653660480.db2.gz LWCBLWNPWCEMJX-UHFFFAOYSA-N 1 2 379.258 2.076 20 0 GEADLO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000879332947 653665978 /nfs/dbraw/zinc/66/59/78/653665978.db2.gz NWFFWWSFCYLMLT-SNVBAGLBSA-N 1 2 398.261 2.376 20 0 GEADLO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000879332947 653665982 /nfs/dbraw/zinc/66/59/82/653665982.db2.gz NWFFWWSFCYLMLT-SNVBAGLBSA-N 1 2 398.261 2.376 20 0 GEADLO CO[C@@H]1C[N@H+](CN2CC[C@@H](c3cccc(Br)c3)C2=O)C[C@@H]1OC ZINC000840056398 653672796 /nfs/dbraw/zinc/67/27/96/653672796.db2.gz UVTAWAAZGVMHLT-HRCADAONSA-N 1 2 383.286 2.068 20 0 GEADLO CO[C@@H]1C[N@@H+](CN2CC[C@@H](c3cccc(Br)c3)C2=O)C[C@@H]1OC ZINC000840056398 653672800 /nfs/dbraw/zinc/67/28/00/653672800.db2.gz UVTAWAAZGVMHLT-HRCADAONSA-N 1 2 383.286 2.068 20 0 GEADLO COCC[N@H+](CN1CC[C@H](c2cccc(Br)c2)C1=O)[C@H]1CCOC1 ZINC000840061647 653673126 /nfs/dbraw/zinc/67/31/26/653673126.db2.gz XTZRPUKNDYRTEU-DLBZAZTESA-N 1 2 397.313 2.460 20 0 GEADLO COCC[N@@H+](CN1CC[C@H](c2cccc(Br)c2)C1=O)[C@H]1CCOC1 ZINC000840061647 653673129 /nfs/dbraw/zinc/67/31/29/653673129.db2.gz XTZRPUKNDYRTEU-DLBZAZTESA-N 1 2 397.313 2.460 20 0 GEADLO CNC(=O)[C@]1(C)CC[N@H+](Cn2nc3ccc(Br)cn3c2=S)C1 ZINC000840065288 653673198 /nfs/dbraw/zinc/67/31/98/653673198.db2.gz QYANQWCXTRGVRP-CQSZACIVSA-N 1 2 384.303 2.043 20 0 GEADLO CNC(=O)[C@]1(C)CC[N@@H+](Cn2nc3ccc(Br)cn3c2=S)C1 ZINC000840065288 653673201 /nfs/dbraw/zinc/67/32/01/653673201.db2.gz QYANQWCXTRGVRP-CQSZACIVSA-N 1 2 384.303 2.043 20 0 GEADLO O=C1OCCN1C[C@@H]1CC[N@@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000840099838 653674406 /nfs/dbraw/zinc/67/44/06/653674406.db2.gz PHHDJCGBIDHEGP-GFCCVEGCSA-N 1 2 394.269 2.137 20 0 GEADLO O=C1OCCN1C[C@@H]1CC[N@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000840099838 653674408 /nfs/dbraw/zinc/67/44/08/653674408.db2.gz PHHDJCGBIDHEGP-GFCCVEGCSA-N 1 2 394.269 2.137 20 0 GEADLO O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cn1cc(I)cn1 ZINC000840115350 653674975 /nfs/dbraw/zinc/67/49/75/653674975.db2.gz KQLCDIULPRGUFM-BFHYXJOUSA-N 1 2 375.254 2.461 20 0 GEADLO O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@H+]1Cn1cc(I)cn1 ZINC000840115350 653674976 /nfs/dbraw/zinc/67/49/76/653674976.db2.gz KQLCDIULPRGUFM-BFHYXJOUSA-N 1 2 375.254 2.461 20 0 GEADLO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000840116793 653675262 /nfs/dbraw/zinc/67/52/62/653675262.db2.gz DPQWNPXKRPGYEK-CZUORRHYSA-N 1 2 389.240 2.424 20 0 GEADLO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000840116793 653675264 /nfs/dbraw/zinc/67/52/64/653675264.db2.gz DPQWNPXKRPGYEK-CZUORRHYSA-N 1 2 389.240 2.424 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cc(Br)nn2C)CC1 ZINC000879643975 653676414 /nfs/dbraw/zinc/67/64/14/653676414.db2.gz XLKLXAQSOWMZFS-GFCCVEGCSA-N 1 2 393.289 2.488 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](CN2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000840186590 653678864 /nfs/dbraw/zinc/67/88/64/653678864.db2.gz PRZZBFRZAOFYNM-ZDUSSCGKSA-N 1 2 383.901 2.378 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](CN2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000840186590 653678868 /nfs/dbraw/zinc/67/88/68/653678868.db2.gz PRZZBFRZAOFYNM-ZDUSSCGKSA-N 1 2 383.901 2.378 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](CN2C(=S)N=NC2CCC2CCCC2)C1 ZINC000840186178 653678933 /nfs/dbraw/zinc/67/89/33/653678933.db2.gz LKDFTDAJDFKAKG-CQSZACIVSA-N 1 2 384.571 2.485 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](CN2C(=S)N=NC2CCC2CCCC2)C1 ZINC000840186178 653678935 /nfs/dbraw/zinc/67/89/35/653678935.db2.gz LKDFTDAJDFKAKG-CQSZACIVSA-N 1 2 384.571 2.485 20 0 GEADLO CO[C@@H]1CCC[N@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000783603687 653681112 /nfs/dbraw/zinc/68/11/12/653681112.db2.gz VVEGTZLOLNDWOV-ZIAGYGMSSA-N 1 2 375.922 2.205 20 0 GEADLO CO[C@@H]1CCC[N@@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000783603687 653681114 /nfs/dbraw/zinc/68/11/14/653681114.db2.gz VVEGTZLOLNDWOV-ZIAGYGMSSA-N 1 2 375.922 2.205 20 0 GEADLO Cn1cc(C[N@@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)c(Br)n1 ZINC000862326623 653683186 /nfs/dbraw/zinc/68/31/86/653683186.db2.gz RCNMCUSGLVRMAQ-ZDUSSCGKSA-N 1 2 390.285 2.216 20 0 GEADLO Cn1cc(C[N@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)c(Br)n1 ZINC000862326623 653683189 /nfs/dbraw/zinc/68/31/89/653683189.db2.gz RCNMCUSGLVRMAQ-ZDUSSCGKSA-N 1 2 390.285 2.216 20 0 GEADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCCCn2cc[nH+]c2)c1Cl ZINC000784049557 653688823 /nfs/dbraw/zinc/68/88/23/653688823.db2.gz UVSTUBJEIAFDBM-UHFFFAOYSA-N 1 2 392.264 2.345 20 0 GEADLO CN(C(=O)c1c(Br)nc2n1CCCC2)C(C)(C)C[NH+]1CCOCC1 ZINC000840567975 653689632 /nfs/dbraw/zinc/68/96/32/653689632.db2.gz GPCICRQQLCGEQH-UHFFFAOYSA-N 1 2 399.333 2.165 20 0 GEADLO CSc1ccc(/C=C/C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)s1 ZINC000862641780 653690705 /nfs/dbraw/zinc/69/07/05/653690705.db2.gz DCHQRFHEOXDMRO-MJICGBHWSA-N 1 2 382.551 2.215 20 0 GEADLO CSc1ccc(/C=C/C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)s1 ZINC000862641780 653690709 /nfs/dbraw/zinc/69/07/09/653690709.db2.gz DCHQRFHEOXDMRO-MJICGBHWSA-N 1 2 382.551 2.215 20 0 GEADLO Cn1nc(Br)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000816710772 653691308 /nfs/dbraw/zinc/69/13/08/653691308.db2.gz FEUZZONDZNUTKO-ZDUSSCGKSA-N 1 2 379.258 2.022 20 0 GEADLO Cn1nc(Br)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000816710772 653691310 /nfs/dbraw/zinc/69/13/10/653691310.db2.gz FEUZZONDZNUTKO-ZDUSSCGKSA-N 1 2 379.258 2.022 20 0 GEADLO CCS(=O)(=O)CC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC000880023715 653692802 /nfs/dbraw/zinc/69/28/02/653692802.db2.gz BMKYAEATLYBRDO-VXGBXAGGSA-N 1 2 388.452 2.056 20 0 GEADLO CCS(=O)(=O)CC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC000880023715 653692805 /nfs/dbraw/zinc/69/28/05/653692805.db2.gz BMKYAEATLYBRDO-VXGBXAGGSA-N 1 2 388.452 2.056 20 0 GEADLO CCS(=O)(=O)CC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC000880023711 653692822 /nfs/dbraw/zinc/69/28/22/653692822.db2.gz BMKYAEATLYBRDO-NWDGAFQWSA-N 1 2 388.452 2.056 20 0 GEADLO CCS(=O)(=O)CC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC000880023711 653692824 /nfs/dbraw/zinc/69/28/24/653692824.db2.gz BMKYAEATLYBRDO-NWDGAFQWSA-N 1 2 388.452 2.056 20 0 GEADLO O=S(=O)(NC1CC1)c1ccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1 ZINC000880051452 653694767 /nfs/dbraw/zinc/69/47/67/653694767.db2.gz TYYDQXQEBRJALP-OAHLLOKOSA-N 1 2 378.416 2.281 20 0 GEADLO O=S(=O)(NC1CC1)c1ccc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1 ZINC000880051452 653694769 /nfs/dbraw/zinc/69/47/69/653694769.db2.gz TYYDQXQEBRJALP-OAHLLOKOSA-N 1 2 378.416 2.281 20 0 GEADLO C[C@@H]1C[N@H+](CC(=O)NC(=O)NCc2cccs2)CC[C@H](C(F)(F)F)O1 ZINC000880056122 653695403 /nfs/dbraw/zinc/69/54/03/653695403.db2.gz KXKISQNNNGZVEJ-ZYHUDNBSSA-N 1 2 379.404 2.116 20 0 GEADLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)NCc2cccs2)CC[C@H](C(F)(F)F)O1 ZINC000880056122 653695405 /nfs/dbraw/zinc/69/54/05/653695405.db2.gz KXKISQNNNGZVEJ-ZYHUDNBSSA-N 1 2 379.404 2.116 20 0 GEADLO Cc1cc(C)c(CNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)c[nH+]1 ZINC000840826419 653695712 /nfs/dbraw/zinc/69/57/12/653695712.db2.gz KZQKZBBTAHAKMW-UHFFFAOYSA-N 1 2 378.523 2.435 20 0 GEADLO O=C(N[C@H]1CN(c2ccc(Br)cc2)C1=O)c1cccc2[nH+]ccn21 ZINC000817028747 653698565 /nfs/dbraw/zinc/69/85/65/653698565.db2.gz OIKVHHQWYRAZPT-ZDUSSCGKSA-N 1 2 385.221 2.242 20 0 GEADLO O=C1C(=O)N(c2ccc(Br)cc2)C(=O)N1C[NH+](C1CC1)C1CC1 ZINC000863304355 653705896 /nfs/dbraw/zinc/70/58/96/653705896.db2.gz YXYQPSCWZKOZIH-UHFFFAOYSA-N 1 2 378.226 2.329 20 0 GEADLO CCn1c2ccccc2n(C[N@@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)c1=S ZINC000863341303 653707092 /nfs/dbraw/zinc/70/70/92/653707092.db2.gz RRVDYOQYLNSCJF-CQSZACIVSA-N 1 2 382.555 2.411 20 0 GEADLO CCn1c2ccccc2n(C[N@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)c1=S ZINC000863341303 653707095 /nfs/dbraw/zinc/70/70/95/653707095.db2.gz RRVDYOQYLNSCJF-CQSZACIVSA-N 1 2 382.555 2.411 20 0 GEADLO O=C(C[NH+]1CCC2(CC1)COCCO2)Nc1ccc(Br)cc1F ZINC000880541413 653707975 /nfs/dbraw/zinc/70/79/75/653707975.db2.gz GJQNWNRBOYHNMW-UHFFFAOYSA-N 1 2 387.249 2.408 20 0 GEADLO COc1cc(Br)ccc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000880627351 653709551 /nfs/dbraw/zinc/70/95/51/653709551.db2.gz DQSZDMQVTIBPPU-CYBMUJFWSA-N 1 2 384.274 2.396 20 0 GEADLO CC(C)C[C@@H]([NH2+]Cc1cc(Br)nn1C)c1nc(-c2nc[nH]n2)no1 ZINC000785509526 653710985 /nfs/dbraw/zinc/71/09/85/653710985.db2.gz PDCBZWJAJARBBM-SNVBAGLBSA-N 1 2 395.265 2.228 20 0 GEADLO C[N@H+](CCCCO)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785534322 653711852 /nfs/dbraw/zinc/71/18/52/653711852.db2.gz OABSLXKRWIYCAP-UHFFFAOYSA-N 1 2 394.331 2.077 20 0 GEADLO C[N@@H+](CCCCO)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785534322 653711855 /nfs/dbraw/zinc/71/18/55/653711855.db2.gz OABSLXKRWIYCAP-UHFFFAOYSA-N 1 2 394.331 2.077 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000863579642 653716261 /nfs/dbraw/zinc/71/62/61/653716261.db2.gz NLJRFEJMKTZRBG-NVXWUHKLSA-N 1 2 378.270 2.450 20 0 GEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1ccc(Cl)s1 ZINC000787000874 653732995 /nfs/dbraw/zinc/73/29/95/653732995.db2.gz WZPAAKPBVYDFDB-CQSZACIVSA-N 1 2 386.901 2.158 20 0 GEADLO Cn1nc(Br)cc1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000787108181 653734402 /nfs/dbraw/zinc/73/44/02/653734402.db2.gz CKDLONJVZXBQFO-UHFFFAOYSA-N 1 2 383.212 2.073 20 0 GEADLO Cn1nccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787531248 653739666 /nfs/dbraw/zinc/73/96/66/653739666.db2.gz ALSGDLDNRBKSBW-UHFFFAOYSA-N 1 2 378.274 2.187 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cn2ccc(Br)cc2=O)c1C ZINC000865051366 653751995 /nfs/dbraw/zinc/75/19/95/653751995.db2.gz KPLYXIIGOXOMKA-UHFFFAOYSA-N 1 2 394.269 2.290 20 0 GEADLO COc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cnc1Br ZINC000788234110 653753061 /nfs/dbraw/zinc/75/30/61/653753061.db2.gz CRIBVPPCVVTSCL-GFCCVEGCSA-N 1 2 377.242 2.256 20 0 GEADLO CC(=O)Nc1ccc(Br)cc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865104613 653753833 /nfs/dbraw/zinc/75/38/33/653753833.db2.gz QFSCUROQPUSNNZ-NSCUHMNNSA-N 1 2 382.258 2.234 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000788378243 653755244 /nfs/dbraw/zinc/75/52/44/653755244.db2.gz OSPURZNLHQGZJH-LLVKDONJSA-N 1 2 386.279 2.199 20 0 GEADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cnc(Br)cn1 ZINC000819684503 653755768 /nfs/dbraw/zinc/75/57/68/653755768.db2.gz HYYUCBYIRKBHKF-UHFFFAOYSA-N 1 2 396.195 2.492 20 0 GEADLO OCCCC[NH+]1CCN(c2ncnc(C(F)(F)F)c2Br)CC1 ZINC000882013310 653757056 /nfs/dbraw/zinc/75/70/56/653757056.db2.gz YRVAQFPMCSTXNC-UHFFFAOYSA-N 1 2 383.212 2.152 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000865202540 653757076 /nfs/dbraw/zinc/75/70/76/653757076.db2.gz MBWUWKCKWINBDE-GQAVTEOGSA-N 1 2 392.341 2.087 20 0 GEADLO OC[C@@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1ccc(Br)cc1 ZINC000865517969 653767367 /nfs/dbraw/zinc/76/73/67/653767367.db2.gz HQRJZWPVGKBDQM-JKSUJKDBSA-N 1 2 381.274 2.043 20 0 GEADLO Cc1ccnc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1Br ZINC000865614163 653770064 /nfs/dbraw/zinc/77/00/64/653770064.db2.gz ZAHIYBJPCWBBFV-GFCCVEGCSA-N 1 2 397.294 2.477 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)/C=C/c2cccc(Br)c2)C1 ZINC000842878528 653771528 /nfs/dbraw/zinc/77/15/28/653771528.db2.gz CGYBPYJJEZLWBK-LHRNQBEKSA-N 1 2 377.279 2.383 20 0 GEADLO COc1nc(Br)ccc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000789373982 653772710 /nfs/dbraw/zinc/77/27/10/653772710.db2.gz SDKLZOBPNDGWCJ-GHMZBOCLSA-N 1 2 387.278 2.083 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)/C=C/c1ccc(Br)o1 ZINC000842965462 653775318 /nfs/dbraw/zinc/77/53/18/653775318.db2.gz OLPIAMIFGXKCEO-HRLNJXSSSA-N 1 2 388.258 2.334 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)/C=C/c1ccc(Br)o1 ZINC000842965462 653775319 /nfs/dbraw/zinc/77/53/19/653775319.db2.gz OLPIAMIFGXKCEO-HRLNJXSSSA-N 1 2 388.258 2.334 20 0 GEADLO COc1cccc(C[NH2+]Cc2c(I)cnn2C)c1OC ZINC000865867595 653777803 /nfs/dbraw/zinc/77/78/03/653777803.db2.gz CTNLBDPKPXJEIU-UHFFFAOYSA-N 1 2 387.221 2.332 20 0 GEADLO Cc1cccc2ncc(C[NH2+]Cc3c(I)cnn3C)n21 ZINC000865868078 653777867 /nfs/dbraw/zinc/77/78/67/653777867.db2.gz GLWSEKMRHHDCRY-UHFFFAOYSA-N 1 2 381.221 2.271 20 0 GEADLO CC(=O)N[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000866002076 653783031 /nfs/dbraw/zinc/78/30/31/653783031.db2.gz MLRPIXGKKPYRJC-LRDDRELGSA-N 1 2 393.285 2.275 20 0 GEADLO O=C(Nc1nc(CC(F)(F)F)cs1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000820827937 653784763 /nfs/dbraw/zinc/78/47/63/653784763.db2.gz UEWLRQAZBWSAES-NEPJUHHUSA-N 1 2 379.404 2.066 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3nc(Br)cs3)cc2C1 ZINC000790158663 653787448 /nfs/dbraw/zinc/78/74/48/653787448.db2.gz QHTKWWVAMUEORN-UHFFFAOYSA-N 1 2 395.282 2.001 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3nc(Br)cs3)cc2C1 ZINC000790158663 653787451 /nfs/dbraw/zinc/78/74/51/653787451.db2.gz QHTKWWVAMUEORN-UHFFFAOYSA-N 1 2 395.282 2.001 20 0 GEADLO C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)Oc1cccc(Br)c1 ZINC000866169629 653787893 /nfs/dbraw/zinc/78/78/93/653787893.db2.gz YRRFPTGGNVHZFV-XSHSDMCLSA-N 1 2 383.286 2.221 20 0 GEADLO CCc1cc2c(CC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)csc2s1 ZINC000866422849 653794336 /nfs/dbraw/zinc/79/43/36/653794336.db2.gz JNBSYBCWRRZGKE-CQSZACIVSA-N 1 2 382.551 2.219 20 0 GEADLO CC(C)[C@H](CNC(=O)CSC(=S)N1CCC(C)CC1)[NH+]1CCOCC1 ZINC000844151037 653802468 /nfs/dbraw/zinc/80/24/68/653802468.db2.gz NSUFXLUNPJDQEX-INIZCTEOSA-N 1 2 387.615 2.209 20 0 GEADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)Nc1cccc(I)c1 ZINC000844456628 653806591 /nfs/dbraw/zinc/80/65/91/653806591.db2.gz VUDYYBFUINGWMQ-PHIMTYICSA-N 1 2 378.160 2.427 20 0 GEADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)Nc1cccc(I)c1 ZINC000844456628 653806593 /nfs/dbraw/zinc/80/65/93/653806593.db2.gz VUDYYBFUINGWMQ-PHIMTYICSA-N 1 2 378.160 2.427 20 0 GEADLO O=C(NCCC[C@@H]1CC1(Cl)Cl)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000844540111 653808451 /nfs/dbraw/zinc/80/84/51/653808451.db2.gz HEXXEKXZKUZYTH-CYBMUJFWSA-N 1 2 390.315 2.311 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(Sc3ccncc3)cc2)C1 ZINC000866682475 653811096 /nfs/dbraw/zinc/81/10/96/653811096.db2.gz NZPNIUABUDUSQD-OAHLLOKOSA-N 1 2 380.491 2.272 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(Sc3ccncc3)cc2)C1 ZINC000866682475 653811101 /nfs/dbraw/zinc/81/11/01/653811101.db2.gz NZPNIUABUDUSQD-OAHLLOKOSA-N 1 2 380.491 2.272 20 0 GEADLO Cn1cc(C[NH+]2CCC(c3ccncn3)CC2)c(I)n1 ZINC000894988411 653811294 /nfs/dbraw/zinc/81/12/94/653811294.db2.gz ZZSROOORVAXCMG-UHFFFAOYSA-N 1 2 383.237 2.194 20 0 GEADLO COc1cc(CS(=O)(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)sn1 ZINC000882838151 653812784 /nfs/dbraw/zinc/81/27/84/653812784.db2.gz ZGINMCLOJWKDRA-HNNXBMFYSA-N 1 2 378.479 2.209 20 0 GEADLO Cn1ncc(I)c1C[NH2+][C@H](CCO)c1ccccc1F ZINC000895086274 653816663 /nfs/dbraw/zinc/81/66/63/653816663.db2.gz UPMHCXAKCZELBS-CYBMUJFWSA-N 1 2 389.212 2.377 20 0 GEADLO Nc1cc(COC(=O)CCNC(=O)c2cc(F)ccc2Br)cc[nH+]1 ZINC000791752292 653822891 /nfs/dbraw/zinc/82/28/91/653822891.db2.gz VGLLAVNIAJBJKJ-UHFFFAOYSA-N 1 2 396.216 2.429 20 0 GEADLO C[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)[NH+]1CCSCC1 ZINC000883048803 653824269 /nfs/dbraw/zinc/82/42/69/653824269.db2.gz WJEAYTYGFWZXAL-SNPRPXQTSA-N 1 2 376.444 2.074 20 0 GEADLO C[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)[NH+]1CCSCC1 ZINC000883048804 653824299 /nfs/dbraw/zinc/82/42/99/653824299.db2.gz WJEAYTYGFWZXAL-VHDGCEQUSA-N 1 2 376.444 2.074 20 0 GEADLO C[C@@]1(CC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1(Cl)Cl ZINC000822528870 653830637 /nfs/dbraw/zinc/83/06/37/653830637.db2.gz MOXYQNIOIRQHAU-QGZVFWFLSA-N 1 2 384.307 2.404 20 0 GEADLO O=C(NCC[C@@H]1CCCC1(F)F)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000883184167 653831565 /nfs/dbraw/zinc/83/15/65/653831565.db2.gz QIMANLDCCUOOQW-GOEBONIOSA-N 1 2 377.501 2.319 20 0 GEADLO Cc1ccc(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c(Cl)n1 ZINC000883184481 653831588 /nfs/dbraw/zinc/83/15/88/653831588.db2.gz YEIVUYKYMFLLDI-KRWDZBQOSA-N 1 2 384.933 2.051 20 0 GEADLO O=C(NCC[C@H]1CCCC1(F)F)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000883184169 653831652 /nfs/dbraw/zinc/83/16/52/653831652.db2.gz QIMANLDCCUOOQW-ZBFHGGJFSA-N 1 2 377.501 2.319 20 0 GEADLO C[C@@H]1C[C@H]([NH2+]Cc2nnc3n2CCNC3=O)c2cccc(Br)c21 ZINC000883303204 653834855 /nfs/dbraw/zinc/83/48/55/653834855.db2.gz RJAGBRGBVLLOQN-SKDRFNHKSA-N 1 2 376.258 2.122 20 0 GEADLO Cc1noc2ncc(C[NH2+]Cc3c(I)cnn3C)cc12 ZINC000895464353 653836437 /nfs/dbraw/zinc/83/64/37/653836437.db2.gz MMOKDOBJOJTRPA-UHFFFAOYSA-N 1 2 383.193 2.159 20 0 GEADLO COc1ccc(C2=NO[C@H](C[NH2+]Cc3nc(Br)nn3C)C2)cc1C ZINC000895503063 653838294 /nfs/dbraw/zinc/83/82/94/653838294.db2.gz UKPSGNZKLCLVKK-LBPRGKRZSA-N 1 2 394.273 2.177 20 0 GEADLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000822746298 653839068 /nfs/dbraw/zinc/83/90/68/653839068.db2.gz HSGDVZUGYXOKSR-GFCCVEGCSA-N 1 2 391.559 2.343 20 0 GEADLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000822746298 653839070 /nfs/dbraw/zinc/83/90/70/653839070.db2.gz HSGDVZUGYXOKSR-GFCCVEGCSA-N 1 2 391.559 2.343 20 0 GEADLO COC(=O)c1cc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)on1 ZINC000895512734 653839173 /nfs/dbraw/zinc/83/91/73/653839173.db2.gz RAWSLYHULBZDHQ-DRQUAOQDSA-N 1 2 381.226 2.364 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NCC[C@@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000883488865 653843311 /nfs/dbraw/zinc/84/33/11/653843311.db2.gz XCVCDQDSTCQEKA-HOTGVXAUSA-N 1 2 387.933 2.209 20 0 GEADLO COc1nc(Br)ccc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000822906112 653845470 /nfs/dbraw/zinc/84/54/70/653845470.db2.gz CFBNYYCIGRRAMU-MNOVXSKESA-N 1 2 387.278 2.083 20 0 GEADLO COc1nc(Br)ccc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000822906112 653845472 /nfs/dbraw/zinc/84/54/72/653845472.db2.gz CFBNYYCIGRRAMU-MNOVXSKESA-N 1 2 387.278 2.083 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000866898254 653845691 /nfs/dbraw/zinc/84/56/91/653845691.db2.gz RIBOVVFQPWIVRR-MRXNPFEDSA-N 1 2 385.555 2.089 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000866898254 653845693 /nfs/dbraw/zinc/84/56/93/653845693.db2.gz RIBOVVFQPWIVRR-MRXNPFEDSA-N 1 2 385.555 2.089 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCC[C@@H]2c2ncc(Br)cn2)nc[nH+]1 ZINC000895712569 653847341 /nfs/dbraw/zinc/84/73/41/653847341.db2.gz FAQMLHDIKLAPBX-ZYHUDNBSSA-N 1 2 379.262 2.163 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCC[C@@H]2c2ncc(Br)cn2)[nH+]cn1 ZINC000895712569 653847345 /nfs/dbraw/zinc/84/73/45/653847345.db2.gz FAQMLHDIKLAPBX-ZYHUDNBSSA-N 1 2 379.262 2.163 20 0 GEADLO CO[C@@]1(CNc2nc(C)[nH+]c(NC[C@@]3(OC)CCSC3)n2)CCSC1 ZINC000895751552 653848508 /nfs/dbraw/zinc/84/85/08/653848508.db2.gz SJGYCERUUVSUID-IYBDPMFKSA-N 1 2 385.559 2.048 20 0 GEADLO CO[C@@]1(CNc2nc(NC[C@@]3(OC)CCSC3)nc(C)[nH+]2)CCSC1 ZINC000895751552 653848510 /nfs/dbraw/zinc/84/85/10/653848510.db2.gz SJGYCERUUVSUID-IYBDPMFKSA-N 1 2 385.559 2.048 20 0 GEADLO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](C[C@@H]2C[C@]2(C)Br)CCO1 ZINC000895763156 653849314 /nfs/dbraw/zinc/84/93/14/653849314.db2.gz ZYMXNMKVUODBGZ-RCBQFDQVSA-N 1 2 378.307 2.219 20 0 GEADLO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](C[C@@H]2C[C@]2(C)Br)CCO1 ZINC000895763156 653849320 /nfs/dbraw/zinc/84/93/20/653849320.db2.gz ZYMXNMKVUODBGZ-RCBQFDQVSA-N 1 2 378.307 2.219 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000866931142 653851469 /nfs/dbraw/zinc/85/14/69/653851469.db2.gz ZKGFSOPWRIPWJE-DOTOQJQBSA-N 1 2 387.571 2.382 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000866931142 653851470 /nfs/dbraw/zinc/85/14/70/653851470.db2.gz ZKGFSOPWRIPWJE-DOTOQJQBSA-N 1 2 387.571 2.382 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000823096750 653853516 /nfs/dbraw/zinc/85/35/16/653853516.db2.gz JWVRWPIAZUIBFN-UHFFFAOYSA-N 1 2 394.686 2.045 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000823096750 653853521 /nfs/dbraw/zinc/85/35/21/653853521.db2.gz JWVRWPIAZUIBFN-UHFFFAOYSA-N 1 2 394.686 2.045 20 0 GEADLO Cn1cc(C[NH2+]Cc2ncc(Br)cc2O)c(Br)n1 ZINC000896282187 653872444 /nfs/dbraw/zinc/87/24/44/653872444.db2.gz POCKPPBLBKIAEN-UHFFFAOYSA-N 1 2 376.052 2.336 20 0 GEADLO O=C1NC[C@H](O)CC12CCN(c1[nH+]ccc3cc(Br)ccc31)CC2 ZINC000896333424 653874566 /nfs/dbraw/zinc/87/45/66/653874566.db2.gz NOPNGRKTZHVQGJ-CQSZACIVSA-N 1 2 390.281 2.465 20 0 GEADLO O=C1NC[C@@H](O)CC12CCN(c1[nH+]ccc3cc(Br)ccc31)CC2 ZINC000896333422 653874659 /nfs/dbraw/zinc/87/46/59/653874659.db2.gz NOPNGRKTZHVQGJ-AWEZNQCLSA-N 1 2 390.281 2.465 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc2ccc(Br)cc2c(=O)[nH]1 ZINC000884505433 653879428 /nfs/dbraw/zinc/87/94/28/653879428.db2.gz HLPOIMFWEVWPIH-WCQYABFASA-N 1 2 393.285 2.397 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896544870 653884109 /nfs/dbraw/zinc/88/41/09/653884109.db2.gz NBZVZGLZFOTPDD-MWLCHTKSSA-N 1 2 378.514 2.059 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896544870 653884113 /nfs/dbraw/zinc/88/41/13/653884113.db2.gz NBZVZGLZFOTPDD-MWLCHTKSSA-N 1 2 378.514 2.059 20 0 GEADLO COC[C@]1(C)NC(=O)N(C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000793793812 653885380 /nfs/dbraw/zinc/88/53/80/653885380.db2.gz WEWNPODHOXBFHW-PBHICJAKSA-N 1 2 383.901 2.421 20 0 GEADLO COC[C@]1(C)NC(=O)N(C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000793793812 653885382 /nfs/dbraw/zinc/88/53/82/653885382.db2.gz WEWNPODHOXBFHW-PBHICJAKSA-N 1 2 383.901 2.421 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)/C=C/c1ccc(Br)o1)C2 ZINC000846125532 653888076 /nfs/dbraw/zinc/88/80/76/653888076.db2.gz QACWGIAOMBMYKJ-RPTYSRGTSA-N 1 2 394.269 2.226 20 0 GEADLO Cc1[nH]c(CNC(=O)[C@H](C)NC(=O)c2ccc(Br)s2)[nH+]c1C ZINC000896923361 653899710 /nfs/dbraw/zinc/89/97/10/653899710.db2.gz JMLUQBYIGDVQQF-VIFPVBQESA-N 1 2 385.287 2.285 20 0 GEADLO Cc1[nH]c(CNC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)[nH+]c1C ZINC000896923357 653899788 /nfs/dbraw/zinc/89/97/88/653899788.db2.gz JMLUQBYIGDVQQF-SECBINFHSA-N 1 2 385.287 2.285 20 0 GEADLO O=S(=O)(Cc1ccc(F)cc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000867236673 653900480 /nfs/dbraw/zinc/90/04/80/653900480.db2.gz QPFVHPCUWGOJCN-CQSZACIVSA-N 1 2 390.908 2.353 20 0 GEADLO Cn1cc(C[NH+]2CCC(O)(C3CCC3)CC2)c(I)n1 ZINC000897036176 653904529 /nfs/dbraw/zinc/90/45/29/653904529.db2.gz VDMHDUUIRPQOHL-UHFFFAOYSA-N 1 2 375.254 2.152 20 0 GEADLO Cc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)nc1Br ZINC000794356770 653904853 /nfs/dbraw/zinc/90/48/53/653904853.db2.gz ABKIIMAHUNZOOS-ZDUSSCGKSA-N 1 2 383.290 2.481 20 0 GEADLO C[C@]1(CCNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@@]1(F)Cl ZINC000846728983 653908039 /nfs/dbraw/zinc/90/80/39/653908039.db2.gz MTMOZNBAJKBLEY-IRXDYDNUSA-N 1 2 387.908 2.043 20 0 GEADLO C[C@]1(CCNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@@]1(F)Cl ZINC000846728983 653908043 /nfs/dbraw/zinc/90/80/43/653908043.db2.gz MTMOZNBAJKBLEY-IRXDYDNUSA-N 1 2 387.908 2.043 20 0 GEADLO O=C(c1csc(I)n1)N1CCC(n2cc[nH+]c2)CC1 ZINC000824855506 653910532 /nfs/dbraw/zinc/91/05/32/653910532.db2.gz MHQCALCFHPSDQG-UHFFFAOYSA-N 1 2 388.234 2.422 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1c(F)ccc(Br)c1F)C1CCOCC1 ZINC000824903731 653912381 /nfs/dbraw/zinc/91/23/81/653912381.db2.gz LRZDZTMOUWDGNW-UHFFFAOYSA-N 1 2 398.269 2.411 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc(Br)c3nccnc3c2)[C@@H](C)CO1 ZINC000824949368 653913213 /nfs/dbraw/zinc/91/32/13/653913213.db2.gz KEPUFMMUJSYHDP-RYUDHWBXSA-N 1 2 393.285 2.231 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)c3nccnc3c2)[C@@H](C)CO1 ZINC000824949368 653913216 /nfs/dbraw/zinc/91/32/16/653913216.db2.gz KEPUFMMUJSYHDP-RYUDHWBXSA-N 1 2 393.285 2.231 20 0 GEADLO Cc1cc(Br)ccc1CS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000885120074 653913452 /nfs/dbraw/zinc/91/34/52/653913452.db2.gz SCSIMIUYWVDZOW-CQSZACIVSA-N 1 2 384.299 2.388 20 0 GEADLO Fc1cc(C[N@@H+]2CCn3ncc(I)c3C2)c(F)cn1 ZINC000897289187 653914380 /nfs/dbraw/zinc/91/43/80/653914380.db2.gz KDEBJLFDFBNWJW-UHFFFAOYSA-N 1 2 376.148 2.177 20 0 GEADLO Fc1cc(C[N@H+]2CCn3ncc(I)c3C2)c(F)cn1 ZINC000897289187 653914385 /nfs/dbraw/zinc/91/43/85/653914385.db2.gz KDEBJLFDFBNWJW-UHFFFAOYSA-N 1 2 376.148 2.177 20 0 GEADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)[nH]n1 ZINC000897327418 653916252 /nfs/dbraw/zinc/91/62/52/653916252.db2.gz HOSTZNRBTIURDF-JKSUJKDBSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)[nH]n1 ZINC000897327418 653916258 /nfs/dbraw/zinc/91/62/58/653916258.db2.gz HOSTZNRBTIURDF-JKSUJKDBSA-N 1 2 393.285 2.402 20 0 GEADLO O=C(c1cc(Br)cnc1F)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825094340 653917331 /nfs/dbraw/zinc/91/73/31/653917331.db2.gz LTAGHNRVUBVURB-UHFFFAOYSA-N 1 2 393.260 2.379 20 0 GEADLO O=C(c1csc(Br)n1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825100039 653917599 /nfs/dbraw/zinc/91/75/99/653917599.db2.gz RLEPIYXDOIIKEZ-UHFFFAOYSA-N 1 2 381.299 2.301 20 0 GEADLO C[C@H]([NH2+]C1COC(C)(C)OC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794816014 653921380 /nfs/dbraw/zinc/92/13/80/653921380.db2.gz IZKJKOLAZHKTQP-QMMMGPOBSA-N 1 2 383.297 2.443 20 0 GEADLO COc1nn(C)cc1C[NH2+]Cc1cccc(F)c1I ZINC000898022755 653950048 /nfs/dbraw/zinc/95/00/48/653950048.db2.gz KMIPGWBSBDVXRC-UHFFFAOYSA-N 1 2 375.185 2.462 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@@H]1CCn2c[nH+]cc21 ZINC000825513439 653931923 /nfs/dbraw/zinc/93/19/23/653931923.db2.gz UDJOMTPHTWHFQU-CMPLNLGQSA-N 1 2 375.226 2.333 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N[C@@H]1CCn2c[nH+]cc21 ZINC000825512459 653931997 /nfs/dbraw/zinc/93/19/97/653931997.db2.gz FFPIESZHABGGTI-WCQYABFASA-N 1 2 375.226 2.333 20 0 GEADLO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000885460012 653933920 /nfs/dbraw/zinc/93/39/20/653933920.db2.gz SWXFNTRJMTZNQV-QWJLCTJOSA-N 1 2 389.518 2.086 20 0 GEADLO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000885460012 653933924 /nfs/dbraw/zinc/93/39/24/653933924.db2.gz SWXFNTRJMTZNQV-QWJLCTJOSA-N 1 2 389.518 2.086 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1ncc(Br)cc1Cl)N1CCCC1 ZINC000897828659 653939068 /nfs/dbraw/zinc/93/90/68/653939068.db2.gz ZYZZUXXMISEGIZ-UHFFFAOYSA-N 1 2 382.711 2.013 20 0 GEADLO Cc1ccc(I)cc1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867484148 653938968 /nfs/dbraw/zinc/93/89/68/653938968.db2.gz AQAMKWPJDYLFIM-IHWYPQMZSA-N 1 2 386.233 2.427 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000867493682 653940354 /nfs/dbraw/zinc/94/03/54/653940354.db2.gz LZJLVQNBOCAPRS-LLVKDONJSA-N 1 2 394.324 2.262 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000867493682 653940359 /nfs/dbraw/zinc/94/03/59/653940359.db2.gz LZJLVQNBOCAPRS-LLVKDONJSA-N 1 2 394.324 2.262 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000867493684 653940478 /nfs/dbraw/zinc/94/04/78/653940478.db2.gz LZJLVQNBOCAPRS-NSHDSACASA-N 1 2 394.324 2.262 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000867493684 653940483 /nfs/dbraw/zinc/94/04/83/653940483.db2.gz LZJLVQNBOCAPRS-NSHDSACASA-N 1 2 394.324 2.262 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000867561464 653951927 /nfs/dbraw/zinc/95/19/27/653951927.db2.gz BFOLYCQFODMUKO-UHFFFAOYSA-N 1 2 394.324 2.264 20 0 GEADLO CN(c1cccc(C[NH2+]Cc2nccn2CC(F)(F)F)c1)S(C)(=O)=O ZINC000898286682 653961393 /nfs/dbraw/zinc/96/13/93/653961393.db2.gz KDMSPLZLTQXRAF-UHFFFAOYSA-N 1 2 376.404 2.131 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)n1 ZINC000898312943 653962251 /nfs/dbraw/zinc/96/22/51/653962251.db2.gz PYLUBNYYUVLVER-GHMZBOCLSA-N 1 2 378.420 2.238 20 0 GEADLO CO[C@@H](C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000795749070 653965047 /nfs/dbraw/zinc/96/50/47/653965047.db2.gz FAFVKSGTGLAZCH-LKFCYVNXSA-N 1 2 390.303 2.202 20 0 GEADLO CO[C@@H](C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000795749070 653965050 /nfs/dbraw/zinc/96/50/50/653965050.db2.gz FAFVKSGTGLAZCH-LKFCYVNXSA-N 1 2 390.303 2.202 20 0 GEADLO CO[C@@H](C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000795751309 653965108 /nfs/dbraw/zinc/96/51/08/653965108.db2.gz ONHJFPZGMPMJDQ-ZBEGNZNMSA-N 1 2 384.274 2.140 20 0 GEADLO CO[C@@H](C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000795751309 653965109 /nfs/dbraw/zinc/96/51/09/653965109.db2.gz ONHJFPZGMPMJDQ-ZBEGNZNMSA-N 1 2 384.274 2.140 20 0 GEADLO OC[C@@H](NCc1c[nH+]c2n1CCC2)c1ccccc1I ZINC000898511990 653974712 /nfs/dbraw/zinc/97/47/12/653974712.db2.gz GVSHJTUBKMHCNZ-CQSZACIVSA-N 1 2 383.233 2.257 20 0 GEADLO CC(C)Oc1cc(C(=O)N[C@H](CO)c2c[nH+]cn2C)ccc1Br ZINC000898891715 653990934 /nfs/dbraw/zinc/99/09/34/653990934.db2.gz KDJGMWHDJFGVQX-CYBMUJFWSA-N 1 2 382.258 2.433 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000898893475 653991374 /nfs/dbraw/zinc/99/13/74/653991374.db2.gz CVWNFBDLENTCQS-DZGCQCFKSA-N 1 2 383.235 2.070 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000898896157 653991418 /nfs/dbraw/zinc/99/14/18/653991418.db2.gz MXRFUEBPBWYADH-ZQIUZPCESA-N 1 2 378.270 2.310 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)Cc3cscc3Br)CC2)CC1 ZINC000827435617 653991603 /nfs/dbraw/zinc/99/16/03/653991603.db2.gz PMDHHKQBNYSKBU-UHFFFAOYSA-N 1 2 386.359 2.292 20 0 GEADLO CC(C)(CNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)n1cc[nH+]c1 ZINC000898912307 653991660 /nfs/dbraw/zinc/99/16/60/653991660.db2.gz GIQXZZCDQBKLRI-AWEZNQCLSA-N 1 2 392.253 2.279 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)Cc3cc(Br)ccc3F)CC2)CC1 ZINC000827450042 653992671 /nfs/dbraw/zinc/99/26/71/653992671.db2.gz QFNPORUJIIOIHJ-UHFFFAOYSA-N 1 2 398.320 2.369 20 0 GEADLO Cc1c[nH+]c2cc(C(=O)OCc3ccc(S(=O)(=O)N(C)C)s3)ccn12 ZINC000848782206 653996252 /nfs/dbraw/zinc/99/62/52/653996252.db2.gz IGPALFFZNDVDOY-UHFFFAOYSA-N 1 2 379.463 2.312 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000796333443 653996161 /nfs/dbraw/zinc/99/61/61/653996161.db2.gz KRLLYQLYPZQZFD-UHFFFAOYSA-N 1 2 384.445 2.006 20 0 GEADLO CN(CC[NH+]1CC2(C1)CCOCC2)S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000867858803 654000123 /nfs/dbraw/zinc/00/01/23/654000123.db2.gz KJCIZKZQZIGYRI-UHFFFAOYSA-N 1 2 398.472 2.500 20 0 GEADLO C[C@@H](C(=O)NC1(c2ncc(Br)cn2)CCC1)[NH+]1CCSCC1 ZINC000886839029 654004411 /nfs/dbraw/zinc/00/44/11/654004411.db2.gz RMZCOXXAVGVIQF-NSHDSACASA-N 1 2 385.331 2.172 20 0 GEADLO CCOc1ccc(Br)c(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c1F ZINC000827910438 654012506 /nfs/dbraw/zinc/01/25/06/654012506.db2.gz JZAGJWYHQUGLFN-LBPRGKRZSA-N 1 2 397.248 2.497 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)C(F)(F)c3cccc(Br)c3)CC[NH2+]2)cn1 ZINC000827915428 654012865 /nfs/dbraw/zinc/01/28/65/654012865.db2.gz GEFDHKCOOKUTGD-AWEZNQCLSA-N 1 2 399.239 2.448 20 0 GEADLO O=C([C@H]1CCC(=O)O1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000868048568 654016141 /nfs/dbraw/zinc/01/61/41/654016141.db2.gz BOJBUXNDYMSVHM-OAHLLOKOSA-N 1 2 392.253 2.380 20 0 GEADLO CNC(=O)C1([NH2+]Cc2nnc(-c3c(Cl)cccc3Cl)o2)CCOCC1 ZINC000887084858 654020074 /nfs/dbraw/zinc/02/00/74/654020074.db2.gz QCYOWKDTWIVMDA-UHFFFAOYSA-N 1 2 385.251 2.428 20 0 GEADLO CC(C)n1ncc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1I ZINC000868263695 654025920 /nfs/dbraw/zinc/02/59/20/654025920.db2.gz SJZUPTHPYZJJBR-JTQLQIEISA-N 1 2 399.236 2.010 20 0 GEADLO COc1cc(Br)ccc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000828281706 654031629 /nfs/dbraw/zinc/03/16/29/654031629.db2.gz QDEUVAMFQZZUSU-HIFRSBDPSA-N 1 2 399.285 2.276 20 0 GEADLO COC(=O)c1cc(NC(=O)/C=C/C[NH+]2CCOCC2)c(C)cc1Br ZINC000868343138 654031800 /nfs/dbraw/zinc/03/18/00/654031800.db2.gz GREABPADFXXDGU-ONEGZZNKSA-N 1 2 397.269 2.371 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn(-c3cc(C(F)(F)F)ccc3Cl)nn2)C1 ZINC000887429649 654034325 /nfs/dbraw/zinc/03/43/25/654034325.db2.gz YQGJQRJJLZONBU-SNVBAGLBSA-N 1 2 394.806 2.216 20 0 GEADLO Cc1ncc(CCNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000868424367 654035350 /nfs/dbraw/zinc/03/53/50/654035350.db2.gz LPXWXZSADNHZMX-UHFFFAOYSA-N 1 2 377.539 2.442 20 0 GEADLO C[C@H]([NH2+]Cc1cccnc1F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000797585050 654037200 /nfs/dbraw/zinc/03/72/00/654037200.db2.gz BIEBUYXCYAYCCV-VIFPVBQESA-N 1 2 388.262 2.481 20 0 GEADLO CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccn3cc[nH+]c3c2)ccc1Cl ZINC000798262627 654057358 /nfs/dbraw/zinc/05/73/58/654057358.db2.gz MXOQMDQUTNPDNU-UHFFFAOYSA-N 1 2 378.841 2.490 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900442204 654063914 /nfs/dbraw/zinc/06/39/14/654063914.db2.gz OMESFQVQJNZNED-UKTHLTGXSA-N 1 2 383.286 2.352 20 0 GEADLO COc1cc(I)ccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000869103411 654069365 /nfs/dbraw/zinc/06/93/65/654069365.db2.gz LLKAKIWJLWGNHL-LLVKDONJSA-N 1 2 397.216 2.241 20 0 GEADLO O=C(OCCC[NH+]1CCOCC1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000798688433 654073236 /nfs/dbraw/zinc/07/32/36/654073236.db2.gz ZPYYYEXQCBZCOB-UHFFFAOYSA-N 1 2 396.281 2.315 20 0 GEADLO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Br)cc(F)c2O)CCO1 ZINC000869313277 654086538 /nfs/dbraw/zinc/08/65/38/654086538.db2.gz GNLYZIAZYBUAJP-GFCCVEGCSA-N 1 2 389.265 2.477 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cnc(Br)cc2C)C1 ZINC000900899477 654086690 /nfs/dbraw/zinc/08/66/90/654086690.db2.gz GEKVTLLLJDXXTB-GFCCVEGCSA-N 1 2 384.274 2.366 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cnc(Br)cc2C)C1 ZINC000900899477 654086697 /nfs/dbraw/zinc/08/66/97/654086697.db2.gz GEKVTLLLJDXXTB-GFCCVEGCSA-N 1 2 384.274 2.366 20 0 GEADLO C[C@@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000830107370 654099136 /nfs/dbraw/zinc/09/91/36/654099136.db2.gz OVRMJEZGPLUKDN-BXUZGUMPSA-N 1 2 382.873 2.058 20 0 GEADLO S=C(NC[C@H]1CCCO1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000916546740 654099228 /nfs/dbraw/zinc/09/92/28/654099228.db2.gz ZBCNKJGCUPIWPG-QGZVFWFLSA-N 1 2 383.945 2.390 20 0 GEADLO CC(=O)NC(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000916606152 654101866 /nfs/dbraw/zinc/10/18/66/654101866.db2.gz PABPALUEWSEKME-SNVBAGLBSA-N 1 2 381.889 2.298 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000901177260 654113228 /nfs/dbraw/zinc/11/32/28/654113228.db2.gz MCEIZXXRWQCJOF-UHFFFAOYSA-N 1 2 385.209 2.344 20 0 GEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)c2nccn2c1 ZINC000869690273 654116485 /nfs/dbraw/zinc/11/64/85/654116485.db2.gz RGYXNNSJRZIKGY-BETUJISGSA-N 1 2 380.242 2.117 20 0 GEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)c2nccn2c1 ZINC000869690273 654116488 /nfs/dbraw/zinc/11/64/88/654116488.db2.gz RGYXNNSJRZIKGY-BETUJISGSA-N 1 2 380.242 2.117 20 0 GEADLO CCOC1CC(CNC(=O)C[C@@]2(C)CC2(Cl)Cl)([NH+]2CCOCC2)C1 ZINC000830558177 654126867 /nfs/dbraw/zinc/12/68/67/654126867.db2.gz NXQRGDZNHNHHEW-SIWZUTFBSA-N 1 2 379.328 2.347 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)COc2ccc(F)cc2Br)CCO1 ZINC000800099099 654129211 /nfs/dbraw/zinc/12/92/11/654129211.db2.gz NTNPWKANQYTLSF-LLVKDONJSA-N 1 2 376.222 2.231 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)COc2ccc(F)cc2Br)CCO1 ZINC000800099099 654129215 /nfs/dbraw/zinc/12/92/15/654129215.db2.gz NTNPWKANQYTLSF-LLVKDONJSA-N 1 2 376.222 2.231 20 0 GEADLO O=C(CSc1nc(CO)cs1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000901684778 654140148 /nfs/dbraw/zinc/14/01/48/654140148.db2.gz JBGMTYGWOGGGDP-UHFFFAOYSA-N 1 2 379.507 2.198 20 0 GEADLO CNS(=O)(=O)c1csc(C(=O)OC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000851466964 654156114 /nfs/dbraw/zinc/15/61/14/654156114.db2.gz NAIFWBQIOJAMSV-AWEZNQCLSA-N 1 2 380.491 2.088 20 0 GEADLO CNS(=O)(=O)c1csc(C(=O)OC[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000851466964 654156118 /nfs/dbraw/zinc/15/61/18/654156118.db2.gz NAIFWBQIOJAMSV-AWEZNQCLSA-N 1 2 380.491 2.088 20 0 GEADLO O=S(=O)(NCCCCn1cc[nH+]c1)c1cnc(Cl)c(Br)c1 ZINC000831028355 654156747 /nfs/dbraw/zinc/15/67/47/654156747.db2.gz KXDZETHJOOFADJ-UHFFFAOYSA-N 1 2 393.694 2.453 20 0 GEADLO CCOP(=O)(OCC)[C@@H](O)CN1CC[NH+](CCc2cccs2)CC1 ZINC000851736928 654173482 /nfs/dbraw/zinc/17/34/82/654173482.db2.gz XYYPLUFMCSSIGX-MRXNPFEDSA-N 1 2 376.459 2.493 20 0 GEADLO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000919288220 654177050 /nfs/dbraw/zinc/17/70/50/654177050.db2.gz OMOABWRLXJZHLX-GHMZBOCLSA-N 1 2 380.388 2.148 20 0 GEADLO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000919288220 654177053 /nfs/dbraw/zinc/17/70/53/654177053.db2.gz OMOABWRLXJZHLX-GHMZBOCLSA-N 1 2 380.388 2.148 20 0 GEADLO CCn1c[nH+]c2c1CCN(Cn1nc(Br)c(=O)c3ccccc31)C2 ZINC000902550569 654182948 /nfs/dbraw/zinc/18/29/48/654182948.db2.gz BLPJZZSQTUPCPI-UHFFFAOYSA-N 1 2 388.269 2.391 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851836649 654188152 /nfs/dbraw/zinc/18/81/52/654188152.db2.gz WFVIJPZJSFAFOJ-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851836649 654188156 /nfs/dbraw/zinc/18/81/56/654188156.db2.gz WFVIJPZJSFAFOJ-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@@H]1C[N@H+](C)CCN1C ZINC000920002088 654199005 /nfs/dbraw/zinc/19/90/05/654199005.db2.gz ZUSRZIJHMMPIFQ-RISCZKNCSA-N 1 2 387.958 2.467 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920002088 654199010 /nfs/dbraw/zinc/19/90/10/654199010.db2.gz ZUSRZIJHMMPIFQ-RISCZKNCSA-N 1 2 387.958 2.467 20 0 GEADLO C[C@@H](C(=O)NCC(=O)c1sc2ccccc2c1Cl)N1CC[NH+](C)CC1 ZINC000831682421 654199628 /nfs/dbraw/zinc/19/96/28/654199628.db2.gz VIZGNRQCAIGCNL-LBPRGKRZSA-N 1 2 379.913 2.490 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cn(C)nn3)C2=O)ccc1Br ZINC000902953848 654205561 /nfs/dbraw/zinc/20/55/61/654205561.db2.gz LORTYXOMIBFMTO-SMDDNHRTSA-N 1 2 378.274 2.342 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccc(SC)cc2)CC1 ZINC000903005684 654208957 /nfs/dbraw/zinc/20/89/57/654208957.db2.gz ZUNSQHRHZLMKMG-CYBMUJFWSA-N 1 2 385.555 2.139 20 0 GEADLO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851975508 654210344 /nfs/dbraw/zinc/21/03/44/654210344.db2.gz RFUSSOZOBHTYSI-ZDUSSCGKSA-N 1 2 387.263 2.222 20 0 GEADLO O[C@H](C[NH+]1CCC(O)(c2scnc2Br)CC1)c1ccccn1 ZINC000852006946 654212098 /nfs/dbraw/zinc/21/20/98/654212098.db2.gz VXCHIFJCJZYHQS-GFCCVEGCSA-N 1 2 384.299 2.318 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)N2CCn3ncc(Br)c3C2)c1C ZINC000852031818 654214548 /nfs/dbraw/zinc/21/45/48/654214548.db2.gz ZVBDZBRUCHGNNU-UHFFFAOYSA-N 1 2 394.273 2.391 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1)Nc1ccc(Cl)nc1 ZINC000852061868 654215901 /nfs/dbraw/zinc/21/59/01/654215901.db2.gz SSSPHEWSPWMTKY-SNVBAGLBSA-N 1 2 378.782 2.064 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1)Nc1ccc(Cl)nc1 ZINC000852061868 654215904 /nfs/dbraw/zinc/21/59/04/654215904.db2.gz SSSPHEWSPWMTKY-SNVBAGLBSA-N 1 2 378.782 2.064 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1)Nc1ccc(Cl)nc1 ZINC000852061867 654215942 /nfs/dbraw/zinc/21/59/42/654215942.db2.gz SSSPHEWSPWMTKY-JTQLQIEISA-N 1 2 378.782 2.064 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1)Nc1ccc(Cl)nc1 ZINC000852061867 654215944 /nfs/dbraw/zinc/21/59/44/654215944.db2.gz SSSPHEWSPWMTKY-JTQLQIEISA-N 1 2 378.782 2.064 20 0 GEADLO O=C(NCc1ccc(Br)cc1F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852092543 654217641 /nfs/dbraw/zinc/21/76/41/654217641.db2.gz RBOKAQRAEMXFRU-CQSZACIVSA-N 1 2 386.265 2.204 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@@H+](Cc1cc(Cl)ccc1F)C[C@H](O)CO ZINC000852180128 654223528 /nfs/dbraw/zinc/22/35/28/654223528.db2.gz QQPGDMBIIAQKQP-AWEZNQCLSA-N 1 2 376.856 2.159 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@H+](Cc1cc(Cl)ccc1F)C[C@H](O)CO ZINC000852180128 654223536 /nfs/dbraw/zinc/22/35/36/654223536.db2.gz QQPGDMBIIAQKQP-AWEZNQCLSA-N 1 2 376.856 2.159 20 0 GEADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000802240643 654223965 /nfs/dbraw/zinc/22/39/65/654223965.db2.gz BTRCEUSKSOOZFL-GJZGRUSLSA-N 1 2 386.876 2.442 20 0 GEADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000802240643 654223974 /nfs/dbraw/zinc/22/39/74/654223974.db2.gz BTRCEUSKSOOZFL-GJZGRUSLSA-N 1 2 386.876 2.442 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852190715 654224637 /nfs/dbraw/zinc/22/46/37/654224637.db2.gz FEYPOPCLBMASSJ-IAQYHMDHSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852190715 654224641 /nfs/dbraw/zinc/22/46/41/654224641.db2.gz FEYPOPCLBMASSJ-IAQYHMDHSA-N 1 2 376.284 2.047 20 0 GEADLO Cc1nc(S(=O)(=O)NCc2cc(N(C)C)cc[nH+]2)sc1Br ZINC000921025767 654232713 /nfs/dbraw/zinc/23/27/13/654232713.db2.gz SMNKNKFPPSQMCX-UHFFFAOYSA-N 1 2 391.316 2.154 20 0 GEADLO C[C@](CO)(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000890630869 654233642 /nfs/dbraw/zinc/23/36/42/654233642.db2.gz VTGTVSHYTMASNL-SJKOYZFVSA-N 1 2 378.270 2.232 20 0 GEADLO C[C@@H]([NH2+]Cc1ncc(Br)cn1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903317571 654233895 /nfs/dbraw/zinc/23/38/95/654233895.db2.gz DNXVEZPFRUFPIG-LLVKDONJSA-N 1 2 399.314 2.340 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)Cc2cccc3cccnc32)n1 ZINC000921105141 654236142 /nfs/dbraw/zinc/23/61/42/654236142.db2.gz NFMSOCFHTVAFNI-UHFFFAOYSA-N 1 2 376.507 2.373 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1OC(F)F ZINC000921324430 654248821 /nfs/dbraw/zinc/24/88/21/654248821.db2.gz YWBXKZYDRJSLSZ-NWDGAFQWSA-N 1 2 378.466 2.146 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1ccccc1OC(F)F ZINC000921324430 654248826 /nfs/dbraw/zinc/24/88/26/654248826.db2.gz YWBXKZYDRJSLSZ-NWDGAFQWSA-N 1 2 378.466 2.146 20 0 GEADLO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@@H](CC(F)(F)F)O1 ZINC000852740896 654258593 /nfs/dbraw/zinc/25/85/93/654258593.db2.gz FKDBYGDSBAAUOB-NXEZZACHSA-N 1 2 379.404 2.217 20 0 GEADLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@@H](CC(F)(F)F)O1 ZINC000852740896 654258596 /nfs/dbraw/zinc/25/85/96/654258596.db2.gz FKDBYGDSBAAUOB-NXEZZACHSA-N 1 2 379.404 2.217 20 0 GEADLO COc1cc(Br)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)cc1Cl ZINC000921413152 654265291 /nfs/dbraw/zinc/26/52/91/654265291.db2.gz FNCFDVQLQKVZLL-MRVPVSSYSA-N 1 2 383.695 2.094 20 0 GEADLO COc1cc(Br)c(S(=O)(=O)NC[C@H]2CC[N@H+]2C)cc1Cl ZINC000921413152 654265294 /nfs/dbraw/zinc/26/52/94/654265294.db2.gz FNCFDVQLQKVZLL-MRVPVSSYSA-N 1 2 383.695 2.094 20 0 GEADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000921414845 654265447 /nfs/dbraw/zinc/26/54/47/654265447.db2.gz YHRDHQJZUBUFNM-GFCCVEGCSA-N 1 2 384.395 2.086 20 0 GEADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000921414845 654265448 /nfs/dbraw/zinc/26/54/48/654265448.db2.gz YHRDHQJZUBUFNM-GFCCVEGCSA-N 1 2 384.395 2.086 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)[C@H](C)C1 ZINC000832491733 654269975 /nfs/dbraw/zinc/26/99/75/654269975.db2.gz ZWXGVMAOPKLOPP-NEPJUHHUSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)[C@H](C)C1 ZINC000832491733 654269977 /nfs/dbraw/zinc/26/99/77/654269977.db2.gz ZWXGVMAOPKLOPP-NEPJUHHUSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cn(C(C)(C)C)nc1Br ZINC000803514886 654282317 /nfs/dbraw/zinc/28/23/17/654282317.db2.gz IHLZUAVBRDTTDL-STQMWFEESA-N 1 2 399.333 2.336 20 0 GEADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000871936009 654285042 /nfs/dbraw/zinc/28/50/42/654285042.db2.gz XGCLHBRGHITQNU-YQAQFAQXSA-N 1 2 385.913 2.370 20 0 GEADLO C[C@](CO)(NC(=O)NCCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000891429689 654293616 /nfs/dbraw/zinc/29/36/16/654293616.db2.gz SHUWYQAGSQNDRK-MRXNPFEDSA-N 1 2 381.274 2.243 20 0 GEADLO FC(F)(F)Cn1c(=S)n(C[N@@H+]2CC[C@H]3C[C@H]3C2)nc1N1CCOCC1 ZINC000853576266 654305621 /nfs/dbraw/zinc/30/56/21/654305621.db2.gz OLZMQLKPFZXIRN-RYUDHWBXSA-N 1 2 377.436 2.112 20 0 GEADLO FC(F)(F)Cn1c(=S)n(C[N@H+]2CC[C@H]3C[C@H]3C2)nc1N1CCOCC1 ZINC000853576266 654305623 /nfs/dbraw/zinc/30/56/23/654305623.db2.gz OLZMQLKPFZXIRN-RYUDHWBXSA-N 1 2 377.436 2.112 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(c2cc(Br)cnc2Br)CC1 ZINC000804521238 654312401 /nfs/dbraw/zinc/31/24/01/654312401.db2.gz MBRDKRMBUAAJAG-NSHDSACASA-N 1 2 393.123 2.500 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000872367985 654327207 /nfs/dbraw/zinc/32/72/07/654327207.db2.gz APSZVUADKFKTKD-AWEZNQCLSA-N 1 2 375.516 2.236 20 0 GEADLO Cc1nsc(N2CCC[N@H+](Cc3ncc(Br)cc3O)CC2)n1 ZINC000892127487 654330306 /nfs/dbraw/zinc/33/03/06/654330306.db2.gz PDAKXJPWFDEBOO-UHFFFAOYSA-N 1 2 384.303 2.422 20 0 GEADLO Cc1nsc(N2CCC[N@@H+](Cc3ncc(Br)cc3O)CC2)n1 ZINC000892127487 654330309 /nfs/dbraw/zinc/33/03/09/654330309.db2.gz PDAKXJPWFDEBOO-UHFFFAOYSA-N 1 2 384.303 2.422 20 0 GEADLO Cc1nc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c(Br)n1C ZINC000805009550 654334585 /nfs/dbraw/zinc/33/45/85/654334585.db2.gz LSUOKLKMVNUZSJ-UHFFFAOYSA-N 1 2 397.254 2.444 20 0 GEADLO O=C(C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1)c1ccc(Br)s1 ZINC000834596744 654337228 /nfs/dbraw/zinc/33/72/28/654337228.db2.gz CNFJQAMCSGDTCY-NXEZZACHSA-N 1 2 375.263 2.338 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3nc(Br)cs3)C2=O)n(C)n1 ZINC000834672004 654341949 /nfs/dbraw/zinc/34/19/49/654341949.db2.gz AJRCDSLCXDYTRS-UWVGGRQHSA-N 1 2 384.303 2.404 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@]1(C)CC1(Br)Br ZINC000834709057 654344795 /nfs/dbraw/zinc/34/47/95/654344795.db2.gz KDGDWZQNIHDMON-ZYHUDNBSSA-N 1 2 398.139 2.062 20 0 GEADLO CC[C@H](CO)Nc1cc(N2CCC(n3cc(Br)cn3)CC2)nc[nH+]1 ZINC000892444198 654346581 /nfs/dbraw/zinc/34/65/81/654346581.db2.gz OXKKKJQRUUNIJV-CYBMUJFWSA-N 1 2 395.305 2.460 20 0 GEADLO CC[C@H](CO)Nc1cc(N2CCC(n3cc(Br)cn3)CC2)[nH+]cn1 ZINC000892444198 654346583 /nfs/dbraw/zinc/34/65/83/654346583.db2.gz OXKKKJQRUUNIJV-CYBMUJFWSA-N 1 2 395.305 2.460 20 0 GEADLO O=C1CCCc2cc(Cl)c(S(=O)(=O)N3CC(n4cc[nH+]c4)C3)cc2N1 ZINC000872470258 654347781 /nfs/dbraw/zinc/34/77/81/654347781.db2.gz GPADQKQLHJDURV-UHFFFAOYSA-N 1 2 380.857 2.057 20 0 GEADLO C[C@H](NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000872477175 654349913 /nfs/dbraw/zinc/34/99/13/654349913.db2.gz FSHXUJYTAVEBFP-WXQIDZRNSA-N 1 2 375.560 2.409 20 0 GEADLO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NCc1ccccc1C[NH+]1CCOCC1 ZINC000905313736 654349920 /nfs/dbraw/zinc/34/99/20/654349920.db2.gz NJAQAVVPNYJEIW-CQSZACIVSA-N 1 2 395.714 2.256 20 0 GEADLO COC[C@@H](CCO)Nc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC000892631520 654354718 /nfs/dbraw/zinc/35/47/18/654354718.db2.gz HOORDLKPHSWUAK-GFCCVEGCSA-N 1 2 392.257 2.387 20 0 GEADLO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2ncc(Br)cn2)cc1 ZINC000905666545 654373144 /nfs/dbraw/zinc/37/31/44/654373144.db2.gz AYLYFEZXILTRHG-LBPRGKRZSA-N 1 2 384.299 2.491 20 0 GEADLO Cc1nc([C@H]2CC[N@H+](Cn3c4ccc(Br)cc4oc3=O)C2)no1 ZINC000905683150 654374137 /nfs/dbraw/zinc/37/41/37/654374137.db2.gz QFHBWKQNCSAMQQ-JTQLQIEISA-N 1 2 379.214 2.495 20 0 GEADLO Cc1nc([C@H]2CC[N@@H+](Cn3c4ccc(Br)cc4oc3=O)C2)no1 ZINC000905683150 654374144 /nfs/dbraw/zinc/37/41/44/654374144.db2.gz QFHBWKQNCSAMQQ-JTQLQIEISA-N 1 2 379.214 2.495 20 0 GEADLO O=C(NCc1cc(Br)no1)c1ccccc1C[NH+]1CCOCC1 ZINC000854708273 654377194 /nfs/dbraw/zinc/37/71/94/654377194.db2.gz XTCHQMXUTTXLMG-UHFFFAOYSA-N 1 2 380.242 2.199 20 0 GEADLO O=C(c1cc(Br)ncc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854726243 654379494 /nfs/dbraw/zinc/37/94/94/654379494.db2.gz AEOMNGDRXCUKEI-LLVKDONJSA-N 1 2 388.693 2.434 20 0 GEADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000854895654 654388433 /nfs/dbraw/zinc/38/84/33/654388433.db2.gz BMDQIKCTXBPBLU-LLVKDONJSA-N 1 2 377.229 2.066 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000854895654 654388436 /nfs/dbraw/zinc/38/84/36/654388436.db2.gz BMDQIKCTXBPBLU-LLVKDONJSA-N 1 2 377.229 2.066 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000922515851 654399374 /nfs/dbraw/zinc/39/93/74/654399374.db2.gz LHSCJTWRMDEDSL-ZDUSSCGKSA-N 1 2 379.262 2.409 20 0 GEADLO CCOC(=O)c1ncc(Br)c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000893566572 654408314 /nfs/dbraw/zinc/40/83/14/654408314.db2.gz FMHYGIZWJBOIHA-GFCCVEGCSA-N 1 2 393.241 2.469 20 0 GEADLO CCN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@@H]1CC[N@H+](C)C1 ZINC000855362429 654414997 /nfs/dbraw/zinc/41/49/97/654414997.db2.gz NFEXVWLCTWFNIV-GFCCVEGCSA-N 1 2 389.315 2.019 20 0 GEADLO CCN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000855362429 654414999 /nfs/dbraw/zinc/41/49/99/654414999.db2.gz NFEXVWLCTWFNIV-GFCCVEGCSA-N 1 2 389.315 2.019 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)c1 ZINC000922821907 654415321 /nfs/dbraw/zinc/41/53/21/654415321.db2.gz LBOKCOCVBOPMHT-AWEZNQCLSA-N 1 2 393.289 2.452 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(C(F)(F)Br)nc2)[C@@H](C)CO1 ZINC000855405888 654416984 /nfs/dbraw/zinc/41/69/84/654416984.db2.gz AJTILFSBTWHDNJ-QWRGUYRKSA-N 1 2 392.244 2.365 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C(F)(F)Br)nc2)[C@@H](C)CO1 ZINC000855405888 654416985 /nfs/dbraw/zinc/41/69/85/654416985.db2.gz AJTILFSBTWHDNJ-QWRGUYRKSA-N 1 2 392.244 2.365 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)ncc2Cl)[C@H](C)CO1 ZINC000855412324 654417513 /nfs/dbraw/zinc/41/75/13/654417513.db2.gz STYTVQSJKGIZFU-NXEZZACHSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)ncc2Cl)[C@H](C)CO1 ZINC000855412324 654417516 /nfs/dbraw/zinc/41/75/16/654417516.db2.gz STYTVQSJKGIZFU-NXEZZACHSA-N 1 2 376.682 2.337 20 0 GEADLO Cc1c(C(=O)N[C@H](C)Cn2cc[nH+]c2)nnn1-c1ccccc1Br ZINC000906197939 654420340 /nfs/dbraw/zinc/42/03/40/654420340.db2.gz BCHPODVBPLAYJS-LLVKDONJSA-N 1 2 389.257 2.353 20 0 GEADLO CC(=O)CCn1cc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)nn1 ZINC000906303270 654426648 /nfs/dbraw/zinc/42/66/48/654426648.db2.gz WMBIKHOSZVEFFE-INIZCTEOSA-N 1 2 381.274 2.017 20 0 GEADLO CN1CC[NH+](Cc2cccc(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)c2)CC1 ZINC000906402230 654434636 /nfs/dbraw/zinc/43/46/36/654434636.db2.gz VYDRAHKGSHOUBH-CQSZACIVSA-N 1 2 394.730 2.494 20 0 GEADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894014062 654438821 /nfs/dbraw/zinc/43/88/21/654438821.db2.gz HZNGKUCWIBVCNV-CYBMUJFWSA-N 1 2 384.933 2.220 20 0 GEADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894014062 654438825 /nfs/dbraw/zinc/43/88/25/654438825.db2.gz HZNGKUCWIBVCNV-CYBMUJFWSA-N 1 2 384.933 2.220 20 0 GEADLO Cn1nc(Br)nc1C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000894139154 654449754 /nfs/dbraw/zinc/44/97/54/654449754.db2.gz CBKVKEXNVSFFDP-UHFFFAOYSA-N 1 2 378.274 2.103 20 0 GEADLO CO[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000906581985 654450884 /nfs/dbraw/zinc/45/08/84/654450884.db2.gz KJHZILVCUCHNFG-SUNKGSAMSA-N 1 2 391.331 2.424 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H](O)[C@@H](F)C3)[nH+]c12 ZINC000894167209 654452225 /nfs/dbraw/zinc/45/22/25/654452225.db2.gz MTDSMAZLIRYXAT-UONOGXRCSA-N 1 2 399.264 2.062 20 0 GEADLO COc1cc([C@@H](C)[NH2+]Cc2nc(Br)nn2C)cc(OC)c1OC ZINC000894179939 654453361 /nfs/dbraw/zinc/45/33/61/654453361.db2.gz VGRAIBKHLNLNPH-SECBINFHSA-N 1 2 385.262 2.454 20 0 GEADLO O=C1C[C@@H](CNc2[nH+]cnc3c2cnn3-c2cccc(Br)c2)CN1 ZINC000894184942 654453682 /nfs/dbraw/zinc/45/36/82/654453682.db2.gz HWFXITHKQOSXCG-SNVBAGLBSA-N 1 2 387.241 2.126 20 0 GEADLO Cn1nc(Br)nc1C[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000894223471 654457377 /nfs/dbraw/zinc/45/73/77/654457377.db2.gz AUTISLGTFVUBHI-GFCCVEGCSA-N 1 2 379.180 2.117 20 0 GEADLO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1cn(C)nc1I ZINC000894256698 654459769 /nfs/dbraw/zinc/45/97/69/654459769.db2.gz FCDYRTVVSHWKSB-GFCCVEGCSA-N 1 2 383.237 2.290 20 0 GEADLO COC(=O)c1cnc(C[NH2+]CCNC(=O)c2cccc(Br)c2)s1 ZINC000894257747 654459865 /nfs/dbraw/zinc/45/98/65/654459865.db2.gz WNJVEEWNAWCGHF-UHFFFAOYSA-N 1 2 398.282 2.212 20 0 GEADLO O=C(NCCCCNc1cccc[nH+]1)NCc1cnc(Br)cn1 ZINC000923530823 654462706 /nfs/dbraw/zinc/46/27/06/654462706.db2.gz BXZNUHJNNPJYPW-UHFFFAOYSA-N 1 2 379.262 2.326 20 0 GEADLO CCCN1C(=O)CC[C@@H](C(=O)NCC2SCCS2)[C@@H]1c1c[nH+]cn1C ZINC000856161360 654466235 /nfs/dbraw/zinc/46/62/35/654466235.db2.gz ITJHCXJXSGMEPJ-MLGOLLRUSA-N 1 2 382.555 2.032 20 0 GEADLO CCc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000873809791 654467297 /nfs/dbraw/zinc/46/72/97/654467297.db2.gz SWSQCXWDVGRPRC-GFCCVEGCSA-N 1 2 391.269 2.278 20 0 GEADLO O=S(=O)(NCCn1cc[nH+]c1)[C@H]1CCc2cc(Br)ccc2C1 ZINC000906807862 654474746 /nfs/dbraw/zinc/47/47/46/654474746.db2.gz SJHOLJZLXCGKKY-HNNXBMFYSA-N 1 2 384.299 2.123 20 0 GEADLO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1nnc(C2CC2)s1 ZINC000894432910 654475455 /nfs/dbraw/zinc/47/54/55/654475455.db2.gz WSTDKFUDRRDCSE-UHFFFAOYSA-N 1 2 386.930 2.445 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000894571931 654487509 /nfs/dbraw/zinc/48/75/09/654487509.db2.gz AEGQRGWVQDDRNM-STQMWFEESA-N 1 2 384.489 2.434 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000894571931 654487511 /nfs/dbraw/zinc/48/75/11/654487511.db2.gz AEGQRGWVQDDRNM-STQMWFEESA-N 1 2 384.489 2.434 20 0 GEADLO CCOC1CC2(C1)CC[N@H+](Cc1c(I)cnn1C)C2 ZINC000894749176 654497051 /nfs/dbraw/zinc/49/70/51/654497051.db2.gz DEKSDHUFSWUTHP-UHFFFAOYSA-N 1 2 375.254 2.416 20 0 GEADLO CCOC1CC2(C1)CC[N@@H+](Cc1c(I)cnn1C)C2 ZINC000894749176 654497054 /nfs/dbraw/zinc/49/70/54/654497054.db2.gz DEKSDHUFSWUTHP-UHFFFAOYSA-N 1 2 375.254 2.416 20 0 GEADLO Cc1cc(S(=O)(=O)NCCNC(=O)c2c(C)cc(C)[nH+]c2C)c(C)s1 ZINC000907077849 654508191 /nfs/dbraw/zinc/50/81/91/654508191.db2.gz ATGSFLIEXVPCHI-UHFFFAOYSA-N 1 2 381.523 2.394 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)oc1Cl ZINC000907306076 654529909 /nfs/dbraw/zinc/52/99/09/654529909.db2.gz SHZWPBMAYZRHNK-LLVKDONJSA-N 1 2 376.862 2.015 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)oc1Cl ZINC000907306076 654529914 /nfs/dbraw/zinc/52/99/14/654529914.db2.gz SHZWPBMAYZRHNK-LLVKDONJSA-N 1 2 376.862 2.015 20 0 GEADLO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000907345049 654534174 /nfs/dbraw/zinc/53/41/74/654534174.db2.gz UYTQMODZADZGBW-CQSZACIVSA-N 1 2 379.448 2.160 20 0 GEADLO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1COCc2cccc(Cl)c21)c1cccs1 ZINC000925604796 654546647 /nfs/dbraw/zinc/54/66/47/654546647.db2.gz BMBZEOCMBWUWNB-TZMCWYRMSA-N 1 2 387.910 2.397 20 0 GEADLO O=S(=O)(CCO)c1ccc(C[NH2+][C@H]2COCc3cccc(Cl)c32)cc1 ZINC000926276110 654565301 /nfs/dbraw/zinc/56/53/01/654565301.db2.gz UBRADXWBTUQEIG-KRWDZBQOSA-N 1 2 381.881 2.467 20 0 GEADLO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000926420478 654570927 /nfs/dbraw/zinc/57/09/27/654570927.db2.gz XVJMPXQJMCXOLL-CYBMUJFWSA-N 1 2 385.921 2.450 20 0 GEADLO C[C@H](NCc1nn(C)cc1I)c1cn2c([nH+]1)CCCC2 ZINC000926542357 654574782 /nfs/dbraw/zinc/57/47/82/654574782.db2.gz SDFZZDFVGDITFC-JTQLQIEISA-N 1 2 385.253 2.408 20 0 GEADLO COc1ccccc1[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccccc1Cl ZINC000927030798 654590202 /nfs/dbraw/zinc/59/02/02/654590202.db2.gz MWHWUFKPQDQSDZ-SCLBCKFNSA-N 1 2 383.897 2.433 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2nc(N3CCCC3)ncc2Cl)n1 ZINC000927770923 654613260 /nfs/dbraw/zinc/61/32/60/654613260.db2.gz FBAKPKAVNVQOAA-UHFFFAOYSA-N 1 2 380.905 2.178 20 0 GEADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCS[C@@H](C(F)(F)F)C2)CC1 ZINC000928138991 654632527 /nfs/dbraw/zinc/63/25/27/654632527.db2.gz PYSMBFZXNSPWRZ-CYBMUJFWSA-N 1 2 376.448 2.138 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC12CCCCC2 ZINC000908571924 654634284 /nfs/dbraw/zinc/63/42/84/654634284.db2.gz NYVZJSHKOYOWMC-UHFFFAOYSA-N 1 2 385.917 2.229 20 0 GEADLO C[N@H+]1CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC12CCCCC2 ZINC000908571924 654634289 /nfs/dbraw/zinc/63/42/89/654634289.db2.gz NYVZJSHKOYOWMC-UHFFFAOYSA-N 1 2 385.917 2.229 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000928643548 654653778 /nfs/dbraw/zinc/65/37/78/654653778.db2.gz DXMAONIHWKBUPE-GFCCVEGCSA-N 1 2 381.274 2.166 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000928645985 654654067 /nfs/dbraw/zinc/65/40/67/654654067.db2.gz FSQWLBXJQIYVEK-HNNXBMFYSA-N 1 2 393.285 2.233 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000928648591 654654096 /nfs/dbraw/zinc/65/40/96/654654096.db2.gz VLVSFWANPBXULX-ZDUSSCGKSA-N 1 2 396.285 2.360 20 0 GEADLO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000929131164 654672659 /nfs/dbraw/zinc/67/26/59/654672659.db2.gz MYDHGVPYRFNMQH-LBPRGKRZSA-N 1 2 377.432 2.364 20 0 GEADLO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000929131164 654672666 /nfs/dbraw/zinc/67/26/66/654672666.db2.gz MYDHGVPYRFNMQH-LBPRGKRZSA-N 1 2 377.432 2.364 20 0 GEADLO Cc1c(C(=O)NCCc2cn(C)c[nH+]2)nnn1-c1ccccc1Br ZINC000909858156 654680275 /nfs/dbraw/zinc/68/02/75/654680275.db2.gz ZVRWTFBNWOTVJB-UHFFFAOYSA-N 1 2 389.257 2.044 20 0 GEADLO Cc1nnsc1[C@@H](C)[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000929879406 654693901 /nfs/dbraw/zinc/69/39/01/654693901.db2.gz XUZRNEXVIYHFJB-GFCCVEGCSA-N 1 2 384.502 2.490 20 0 GEADLO CN(Cc1cccc(Br)c1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000929939957 654695498 /nfs/dbraw/zinc/69/54/98/654695498.db2.gz JXGDTDYVXCPIEK-SJORKVTESA-N 1 2 397.313 2.287 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@@H]2CCCc3sccc32)n1 ZINC000929951444 654695714 /nfs/dbraw/zinc/69/57/14/654695714.db2.gz REWFKJJTJPRLQS-CYBMUJFWSA-N 1 2 378.523 2.076 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)Nc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000930018084 654697505 /nfs/dbraw/zinc/69/75/05/654697505.db2.gz LHOZFBHIMPGNSO-UHFFFAOYSA-N 1 2 382.511 2.071 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](C[C@@H]2CCCO2)C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000930110589 654699474 /nfs/dbraw/zinc/69/94/74/654699474.db2.gz NHAGHRIKGAGAKC-BYNSBNAKSA-N 1 2 385.448 2.155 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](C[C@@H]2CCCO2)C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000930110589 654699476 /nfs/dbraw/zinc/69/94/76/654699476.db2.gz NHAGHRIKGAGAKC-BYNSBNAKSA-N 1 2 385.448 2.155 20 0 GEADLO C/C(=C\C(=O)N(C)C[C@H](O)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000910424989 654699702 /nfs/dbraw/zinc/69/97/02/654699702.db2.gz SYMYMCIWHLLRKW-SHRNQRGKSA-N 1 2 397.313 2.219 20 0 GEADLO Cc1nnsc1[C@H](C)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000930159192 654700712 /nfs/dbraw/zinc/70/07/12/654700712.db2.gz SWULDLRIXYPIKD-ZDUSSCGKSA-N 1 2 381.527 2.101 20 0 GEADLO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(C(F)(F)F)n(C)n2)cc1 ZINC000930213135 654701990 /nfs/dbraw/zinc/70/19/90/654701990.db2.gz VYZFXJJETRZZBP-JTQLQIEISA-N 1 2 376.404 2.198 20 0 GEADLO Cn1cc([C@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C(F)(F)F)cn1 ZINC000931105867 654729642 /nfs/dbraw/zinc/72/96/42/654729642.db2.gz QUZJOKCTSNKNTN-LBPRGKRZSA-N 1 2 376.408 2.041 20 0 GEADLO COc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2CS(N)(=O)=O)c1 ZINC000931229806 654735153 /nfs/dbraw/zinc/73/51/53/654735153.db2.gz FSDNDEIDPICOGW-LBPRGKRZSA-N 1 2 377.304 2.101 20 0 GEADLO COc1ccc(Br)c(C[N@H+]2CCCC[C@H]2CS(N)(=O)=O)c1 ZINC000931229806 654735156 /nfs/dbraw/zinc/73/51/56/654735156.db2.gz FSDNDEIDPICOGW-LBPRGKRZSA-N 1 2 377.304 2.101 20 0 GEADLO C/C(=C/C(=O)N[C@](C)(CO)c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000912173327 654745169 /nfs/dbraw/zinc/74/51/69/654745169.db2.gz IHKJSFBHQZKFOZ-DEQJRXDXSA-N 1 2 397.313 2.051 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)[C@H](CO)C1 ZINC000912738415 654765841 /nfs/dbraw/zinc/76/58/41/654765841.db2.gz DOODRODFSIYAIR-JTQLQIEISA-N 1 2 397.191 2.096 20 0 GEADLO C[N@H+]1CCN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)[C@H](CO)C1 ZINC000912738415 654765842 /nfs/dbraw/zinc/76/58/42/654765842.db2.gz DOODRODFSIYAIR-JTQLQIEISA-N 1 2 397.191 2.096 20 0 GEADLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)nn1-c1ccc(Cl)c(Cl)c1 ZINC000912740005 654765875 /nfs/dbraw/zinc/76/58/75/654765875.db2.gz MJYMHYYCPLTIGM-ZDUSSCGKSA-N 1 2 383.279 2.236 20 0 GEADLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2CO)nn1-c1ccc(Cl)c(Cl)c1 ZINC000912740005 654765876 /nfs/dbraw/zinc/76/58/76/654765876.db2.gz MJYMHYYCPLTIGM-ZDUSSCGKSA-N 1 2 383.279 2.236 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@@H](CO)C1 ZINC000912747274 654766170 /nfs/dbraw/zinc/76/61/70/654766170.db2.gz FABURHCXTZYRHZ-SNVBAGLBSA-N 1 2 386.677 2.332 20 0 GEADLO C[N@H+]1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@@H](CO)C1 ZINC000912747274 654766173 /nfs/dbraw/zinc/76/61/73/654766173.db2.gz FABURHCXTZYRHZ-SNVBAGLBSA-N 1 2 386.677 2.332 20 0 GEADLO Cc1ccc(F)c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1Br ZINC000912896517 654773735 /nfs/dbraw/zinc/77/37/35/654773735.db2.gz HUVYZONWTSFJKR-UHFFFAOYSA-N 1 2 387.249 2.075 20 0 GEADLO Cc1ccc(F)c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1Br ZINC000912896517 654773738 /nfs/dbraw/zinc/77/37/38/654773738.db2.gz HUVYZONWTSFJKR-UHFFFAOYSA-N 1 2 387.249 2.075 20 0 GEADLO CCOC(=O)C1(C(F)(F)F)CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000932656075 654784450 /nfs/dbraw/zinc/78/44/50/654784450.db2.gz OUCFOCGOKPAOBY-UHFFFAOYSA-N 1 2 378.313 2.263 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3c(Cl)ncnc3N(C)C)C2)s1 ZINC000932671004 654785166 /nfs/dbraw/zinc/78/51/66/654785166.db2.gz DWEJFOITJPMQBV-JTQLQIEISA-N 1 2 381.889 2.429 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3c(Cl)ncnc3N(C)C)C2)s1 ZINC000932671004 654785169 /nfs/dbraw/zinc/78/51/69/654785169.db2.gz DWEJFOITJPMQBV-JTQLQIEISA-N 1 2 381.889 2.429 20 0 GEADLO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913439942 654791959 /nfs/dbraw/zinc/79/19/59/654791959.db2.gz OPRCZZDCRDNLLZ-BSWAZPDLSA-N 1 2 387.281 2.231 20 0 GEADLO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913443296 654792187 /nfs/dbraw/zinc/79/21/87/654792187.db2.gz PGFGXGVCZAIGDJ-HZMBPMFUSA-N 1 2 397.248 2.252 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913460838 654793679 /nfs/dbraw/zinc/79/36/79/654793679.db2.gz OKSZSSNGZOAQGJ-NSHDSACASA-N 1 2 387.481 2.215 20 0 GEADLO COc1cc(C)c(Br)cc1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913460320 654793813 /nfs/dbraw/zinc/79/38/13/654793813.db2.gz HPTIVLSWWJIIHP-OAHLLOKOSA-N 1 2 393.285 2.286 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)CCc3cc(F)ccc3Br)CC[NH2+]2)cn1 ZINC000913464063 654794002 /nfs/dbraw/zinc/79/40/02/654794002.db2.gz LVZOMVXKYKRWCD-INIZCTEOSA-N 1 2 395.276 2.427 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)CC[NH2+]2)cn1 ZINC000913463501 654794017 /nfs/dbraw/zinc/79/40/17/654794017.db2.gz GHAYRCPLAGUTFL-HZPDHXFCSA-N 1 2 383.279 2.324 20 0 GEADLO Cc1c(Br)cccc1CC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913463096 654794095 /nfs/dbraw/zinc/79/40/95/654794095.db2.gz RFHRBQYEBFINSV-MRXNPFEDSA-N 1 2 377.286 2.207 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)CCOc3ccccc3Br)CC[NH2+]2)cn1 ZINC000913468745 654794210 /nfs/dbraw/zinc/79/42/10/654794210.db2.gz PLAMXVPBGGUQSY-HNNXBMFYSA-N 1 2 393.285 2.125 20 0 GEADLO C/C(=C\c1ccc(Br)o1)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913475520 654794563 /nfs/dbraw/zinc/79/45/63/654794563.db2.gz UNMJMZOYXFETGN-DPQIITEBSA-N 1 2 379.258 2.352 20 0 GEADLO CCOc1ccc([C@]2(C(=O)N3CC[N@H+](C)[C@@H](CO)C3)CC2(Cl)Cl)cc1 ZINC000913555972 654797535 /nfs/dbraw/zinc/79/75/35/654797535.db2.gz OUIMTPHYNGWDCA-PBHICJAKSA-N 1 2 387.307 2.036 20 0 GEADLO CCOc1ccc([C@]2(C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)CC2(Cl)Cl)cc1 ZINC000913555972 654797539 /nfs/dbraw/zinc/79/75/39/654797539.db2.gz OUIMTPHYNGWDCA-PBHICJAKSA-N 1 2 387.307 2.036 20 0 GEADLO O[C@H](C[N@@H+]1CCc2cc(F)c(Br)cc2C1)CC1(O)CCOCC1 ZINC000933136287 654803502 /nfs/dbraw/zinc/80/35/02/654803502.db2.gz JUNLDLXUCUXFNT-AWEZNQCLSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@H](C[N@H+]1CCc2cc(F)c(Br)cc2C1)CC1(O)CCOCC1 ZINC000933136287 654803504 /nfs/dbraw/zinc/80/35/04/654803504.db2.gz JUNLDLXUCUXFNT-AWEZNQCLSA-N 1 2 388.277 2.239 20 0 GEADLO C[C@H](NC(=O)c1nccc2c(Br)cccc21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000933387849 654811226 /nfs/dbraw/zinc/81/12/26/654811226.db2.gz PNOQWABNBDMNIY-LRDDRELGSA-N 1 2 391.313 2.361 20 0 GEADLO C[C@H](NC(=O)c1nccc2c(Br)cccc21)[C@@H]1CN(C)CC[N@H+]1C ZINC000933387849 654811228 /nfs/dbraw/zinc/81/12/28/654811228.db2.gz PNOQWABNBDMNIY-LRDDRELGSA-N 1 2 391.313 2.361 20 0 GEADLO O[C@H](C[N@@H+]1CCc2cc(Cl)cc(Br)c2C1)C1(O)CCOCC1 ZINC000933941696 654831498 /nfs/dbraw/zinc/83/14/98/654831498.db2.gz LBTJLOZGVXWPCY-OAHLLOKOSA-N 1 2 390.705 2.363 20 0 GEADLO O[C@H](C[N@H+]1CCc2cc(Cl)cc(Br)c2C1)C1(O)CCOCC1 ZINC000933941696 654831500 /nfs/dbraw/zinc/83/15/00/654831500.db2.gz LBTJLOZGVXWPCY-OAHLLOKOSA-N 1 2 390.705 2.363 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000914173226 654832048 /nfs/dbraw/zinc/83/20/48/654832048.db2.gz HQHPCIKNWSWFLS-WOVMCDHWSA-N 1 2 378.270 2.282 20 0 GEADLO COc1ncc(S(=O)(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000914204197 654835212 /nfs/dbraw/zinc/83/52/12/654835212.db2.gz NAOIRVDOLCWRCN-CYBMUJFWSA-N 1 2 378.479 2.148 20 0 GEADLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000914244120 654838465 /nfs/dbraw/zinc/83/84/65/654838465.db2.gz AYGBOSFHPPLSGV-GXSJLCMTSA-N 1 2 380.388 2.052 20 0 GEADLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000914244120 654838467 /nfs/dbraw/zinc/83/84/67/654838467.db2.gz AYGBOSFHPPLSGV-GXSJLCMTSA-N 1 2 380.388 2.052 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C/C=C\c1ccc(Br)cc1 ZINC000934323491 654844158 /nfs/dbraw/zinc/84/41/58/654844158.db2.gz ZOMMEYUOERCVMZ-KYVUIXNKSA-N 1 2 397.313 2.004 20 0 GEADLO FC(F)(F)c1nc(Br)c2n1CC[N@@H+](CCCN1CCOCC1)C2 ZINC000934325123 654844400 /nfs/dbraw/zinc/84/44/00/654844400.db2.gz LSOMFTUCEDMXQO-UHFFFAOYSA-N 1 2 397.239 2.202 20 0 GEADLO FC(F)(F)c1nc(Br)c2n1CC[N@H+](CCCN1CCOCC1)C2 ZINC000934325123 654844403 /nfs/dbraw/zinc/84/44/03/654844403.db2.gz LSOMFTUCEDMXQO-UHFFFAOYSA-N 1 2 397.239 2.202 20 0 GEADLO CC(C)(CNC(=O)Nc1c(Br)cnn1C1CC1)[NH+]1CCOCC1 ZINC000934378658 654848365 /nfs/dbraw/zinc/84/83/65/654848365.db2.gz YHNHKVNUANXBJF-UHFFFAOYSA-N 1 2 386.294 2.213 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934432870 654849994 /nfs/dbraw/zinc/84/99/94/654849994.db2.gz BJQCJGNGJMVNJJ-CZUORRHYSA-N 1 2 397.260 2.060 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934432870 654849995 /nfs/dbraw/zinc/84/99/95/654849995.db2.gz BJQCJGNGJMVNJJ-CZUORRHYSA-N 1 2 397.260 2.060 20 0 GEADLO COC(=O)c1cnc(C[NH2+][C@](C)(CO)c2cccc(Br)c2)cn1 ZINC000934494922 654850925 /nfs/dbraw/zinc/85/09/25/654850925.db2.gz MJGKOPKDIQCUMJ-MRXNPFEDSA-N 1 2 380.242 2.023 20 0 GEADLO C[C@H]1CCN(C(=O)c2cc(=O)n(C)cc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000934654330 654854698 /nfs/dbraw/zinc/85/46/98/654854698.db2.gz QJRNYWLYJUXHHU-FZMZJTMJSA-N 1 2 379.258 2.068 20 0 GEADLO C[C@@H]1CCN(C(=O)c2cc(=O)n(C)cc2Br)C[C@H]1n1cc[nH+]c1 ZINC000934654329 654854717 /nfs/dbraw/zinc/85/47/17/654854717.db2.gz QJRNYWLYJUXHHU-BXUZGUMPSA-N 1 2 379.258 2.068 20 0 GEADLO OC[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccccc1I ZINC000934825880 654861284 /nfs/dbraw/zinc/86/12/84/654861284.db2.gz GYHDTILIAHVSKM-AWEZNQCLSA-N 1 2 389.212 2.280 20 0 GEADLO COC(=O)/C(C)=C\C[NH2+][C@H](CO)c1ccccc1I ZINC000934828321 654862223 /nfs/dbraw/zinc/86/22/23/654862223.db2.gz LPESTYFSLHSZPJ-PGJNLMOESA-N 1 2 375.206 2.034 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NCc2noc(-c3cccs3)n2)n1 ZINC000915211104 654865606 /nfs/dbraw/zinc/86/56/06/654865606.db2.gz SVYFUFRELJTXTD-UHFFFAOYSA-N 1 2 378.483 2.316 20 0 GEADLO Cc1[nH]nc(Br)c1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000934961017 654868248 /nfs/dbraw/zinc/86/82/48/654868248.db2.gz WYFOULMUCVZYPU-UHFFFAOYSA-N 1 2 380.246 2.273 20 0 GEADLO C[C@@H](C(=O)NCCc1c[nH+]cn1C)c1ccc(I)cc1 ZINC000935329759 654887809 /nfs/dbraw/zinc/88/78/09/654887809.db2.gz XJIDXCAKEZEPDF-LLVKDONJSA-N 1 2 383.233 2.487 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@H]1CCn2cc[nH+]c2C1 ZINC000935487956 654896510 /nfs/dbraw/zinc/89/65/10/654896510.db2.gz KQTOAXNAMOPRFR-JQWIXIFHSA-N 1 2 389.253 2.203 20 0 GEADLO C[C@@](O)(C(=O)N[C@H]1CCc2c[nH+]cn2C1)c1ccc(F)c(Br)c1 ZINC000935923321 654927845 /nfs/dbraw/zinc/92/78/45/654927845.db2.gz CKRZREXODHPSGH-ZBEGNZNMSA-N 1 2 382.233 2.123 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1Cl)C2 ZINC000996596199 654948777 /nfs/dbraw/zinc/94/87/77/654948777.db2.gz JWPZOCVXUDWJQN-VWYCJHECSA-N 1 2 379.873 2.014 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(Cl)s1 ZINC000998631370 654952313 /nfs/dbraw/zinc/95/23/13/654952313.db2.gz BKAANFDAVDDENH-WXHSDQCUSA-N 1 2 378.885 2.239 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)cc3SC)CC2)C1=O ZINC001164634709 719272705 /nfs/dbraw/zinc/27/27/05/719272705.db2.gz MDEPZSHGUFXEGD-UHFFFAOYSA-N 1 2 398.960 2.216 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)cc3SC)CC2)C1=O ZINC001164634709 719272708 /nfs/dbraw/zinc/27/27/08/719272708.db2.gz MDEPZSHGUFXEGD-UHFFFAOYSA-N 1 2 398.960 2.216 20 0 GEADLO c1ccc(-c2cc[nH+]c(N3CCn4c(CN5CCOCC5)nnc4C3)c2)cc1 ZINC001164676352 719573468 /nfs/dbraw/zinc/57/34/68/719573468.db2.gz CAMFJILXFYPEBH-UHFFFAOYSA-N 1 2 376.464 2.193 20 0 GEADLO Clc1ccc2c(cc[nH+]c2N2CCn3c(CN4CCOCC4)nnc3C2)c1 ZINC001164677727 719574682 /nfs/dbraw/zinc/57/46/82/719574682.db2.gz ASBNLGIZMWEIFM-UHFFFAOYSA-N 1 2 384.871 2.332 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(C(C)(C)C)n1 ZINC001164698339 719850946 /nfs/dbraw/zinc/85/09/46/719850946.db2.gz BLXUIFHBXACXAM-QRWLVFNGSA-N 1 2 376.501 2.007 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(OC(C)C)ccn1 ZINC001164704696 719857889 /nfs/dbraw/zinc/85/78/89/719857889.db2.gz SKIZHOKVBSQEBB-JXFKEZNVSA-N 1 2 377.485 2.102 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2[nH]ccc2cc1Cl ZINC001164701102 719859794 /nfs/dbraw/zinc/85/97/94/719859794.db2.gz JILRRCCXOQTWMO-AUUYWEPGSA-N 1 2 392.887 2.401 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(OC)c2ccccc2n1 ZINC001164706605 719862622 /nfs/dbraw/zinc/86/26/22/719862622.db2.gz YDINMVYKTGHTNB-ZHRRBRCNSA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2scc(C)c2n1 ZINC001164706247 719865088 /nfs/dbraw/zinc/86/50/88/719865088.db2.gz PHROCSLMPBZXMP-KUHUBIRLSA-N 1 2 390.509 2.232 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(C(C)C)n1 ZINC001164704412 719867753 /nfs/dbraw/zinc/86/77/53/719867753.db2.gz LVQWOODTAOUXKU-OXJNMPFZSA-N 1 2 376.501 2.141 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(C(C)(C)C)n1 ZINC001164702302 719871292 /nfs/dbraw/zinc/87/12/92/719871292.db2.gz IDZXSUZYXBVSAU-HRAATJIYSA-N 1 2 390.528 2.315 20 0 GEADLO CCCSc1cncc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164708156 719871747 /nfs/dbraw/zinc/87/17/47/719871747.db2.gz XRSBCXKYOMFOAE-HNAYVOBHSA-N 1 2 394.541 2.211 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(CSC)cn1 ZINC001164706213 719873594 /nfs/dbraw/zinc/87/35/94/719873594.db2.gz PCPCMPUGHWRVND-VQIMIIECSA-N 1 2 379.526 2.177 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2cnccc2cc1C ZINC001164703049 719874914 /nfs/dbraw/zinc/87/49/14/719874914.db2.gz JSIDWIJILKQDRJ-LAUBAEHRSA-N 1 2 384.480 2.171 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2cnccc2cc1C ZINC001164703053 719874999 /nfs/dbraw/zinc/87/49/99/719874999.db2.gz JSIDWIJILKQDRJ-UTKZUKDTSA-N 1 2 384.480 2.171 20 0 GEADLO F[C@H](Oc1cccc(Cl)n1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164829694 720397998 /nfs/dbraw/zinc/39/79/98/720397998.db2.gz NYUSFVYJGKPHEP-INIZCTEOSA-N 1 2 377.811 2.109 20 0 GEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3occc3n1)C2 ZINC001164833035 720458855 /nfs/dbraw/zinc/45/88/55/720458855.db2.gz WWJXAJYPHJODGP-INIZCTEOSA-N 1 2 397.479 2.014 20 0 GEADLO COC(=O)c1ccc(Cl)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165007143 721694139 /nfs/dbraw/zinc/69/41/39/721694139.db2.gz BGPVNOLXWHIOCT-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO COC(=O)c1ccc(Cl)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165007143 721694145 /nfs/dbraw/zinc/69/41/45/721694145.db2.gz BGPVNOLXWHIOCT-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO COc1ccc2c(c1)ncnc2N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009817 721703900 /nfs/dbraw/zinc/70/39/00/721703900.db2.gz DWQVBOHGJQKFNV-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO COc1ccc2c(c1)ncnc2N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009817 721703907 /nfs/dbraw/zinc/70/39/07/721703907.db2.gz DWQVBOHGJQKFNV-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO COc1cccc2ncnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c21 ZINC001165008197 721715875 /nfs/dbraw/zinc/71/58/75/721715875.db2.gz CKXPUXWSJXTUDZ-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO COc1cccc2ncnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c21 ZINC001165008197 721715878 /nfs/dbraw/zinc/71/58/78/721715878.db2.gz CKXPUXWSJXTUDZ-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN([C@H](F)Oc1ccc(Cl)nn1)C2 ZINC001165010562 721722501 /nfs/dbraw/zinc/72/25/01/721722501.db2.gz IWIIICADWZSKSI-INIZCTEOSA-N 1 2 383.859 2.100 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN([C@H](F)Oc1ccc(Cl)nn1)C2 ZINC001165010562 721722508 /nfs/dbraw/zinc/72/25/08/721722508.db2.gz IWIIICADWZSKSI-INIZCTEOSA-N 1 2 383.859 2.100 20 0 GEADLO Fc1ccc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910890 721774018 /nfs/dbraw/zinc/77/40/18/721774018.db2.gz CUFZTOZGCXVYAC-IBGZPJMESA-N 1 2 392.862 2.377 20 0 GEADLO Fc1ccc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910890 721774019 /nfs/dbraw/zinc/77/40/19/721774019.db2.gz CUFZTOZGCXVYAC-IBGZPJMESA-N 1 2 392.862 2.377 20 0 GEADLO CCN(CC)c1cc(N2C[C@@H]3[C@H](C2)OCCN3Cc2c(C)noc2C)nc[nH+]1 ZINC001164950938 721951262 /nfs/dbraw/zinc/95/12/62/721951262.db2.gz YDSILOZNSFKCLD-MSOLQXFVSA-N 1 2 386.500 2.017 20 0 GEADLO COCc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164950634 721979148 /nfs/dbraw/zinc/97/91/48/721979148.db2.gz WGXFLNMOGAYEQC-UHFFFAOYSA-N 1 2 380.492 2.199 20 0 GEADLO COCc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164950634 721979149 /nfs/dbraw/zinc/97/91/49/721979149.db2.gz WGXFLNMOGAYEQC-UHFFFAOYSA-N 1 2 380.492 2.199 20 0 GEADLO Nc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ccc1Cl ZINC001164949851 721981313 /nfs/dbraw/zinc/98/13/13/721981313.db2.gz QSGHGGYYYLQUFX-UHFFFAOYSA-N 1 2 385.899 2.288 20 0 GEADLO Nc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ccc1Cl ZINC001164949851 721981315 /nfs/dbraw/zinc/98/13/15/721981315.db2.gz QSGHGGYYYLQUFX-UHFFFAOYSA-N 1 2 385.899 2.288 20 0 GEADLO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)[C@@H]2COC[C@@H]12 ZINC001164957580 722038382 /nfs/dbraw/zinc/03/83/82/722038382.db2.gz AIUREKZDPAWBKO-ZMSDIMECSA-N 1 2 388.899 2.438 20 0 GEADLO Cn1cccc1C(=O)N[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)[C@@H]2COC[C@@H]12 ZINC001164957580 722038384 /nfs/dbraw/zinc/03/83/84/722038384.db2.gz AIUREKZDPAWBKO-ZMSDIMECSA-N 1 2 388.899 2.438 20 0 GEADLO NS(=O)(=O)c1cnc(NCc2[nH+]ccn2CCCc2ccccc2)s1 ZINC000487088480 531467414 /nfs/dbraw/zinc/46/74/14/531467414.db2.gz RJAWADQUPLXMLW-UHFFFAOYSA-N 1 2 377.495 2.232 20 0 GEADLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000015547125 531567194 /nfs/dbraw/zinc/56/71/94/531567194.db2.gz KFLHDEKTFLSKOM-OAHLLOKOSA-N 1 2 379.507 2.343 20 0 GEADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000015547125 531567203 /nfs/dbraw/zinc/56/72/03/531567203.db2.gz KFLHDEKTFLSKOM-OAHLLOKOSA-N 1 2 379.507 2.343 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Br)CC1 ZINC000152784462 531569710 /nfs/dbraw/zinc/56/97/10/531569710.db2.gz HBYTWRJTUIFUQS-UHFFFAOYSA-N 1 2 394.191 2.180 20 0 GEADLO Cc1sc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1CS(C)(=O)=O ZINC000152840433 531574180 /nfs/dbraw/zinc/57/41/80/531574180.db2.gz RCXRDXNNVFDJRZ-CQSZACIVSA-N 1 2 379.507 2.005 20 0 GEADLO Cc1ccc(Br)c(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000152953425 531579529 /nfs/dbraw/zinc/57/95/29/531579529.db2.gz GBKMJTORGSITAL-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022010697 531589894 /nfs/dbraw/zinc/58/98/94/531589894.db2.gz FLALLFXLFQBGBT-VIFPVBQESA-N 1 2 387.267 2.240 20 0 GEADLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022010697 531589904 /nfs/dbraw/zinc/58/99/04/531589904.db2.gz FLALLFXLFQBGBT-VIFPVBQESA-N 1 2 387.267 2.240 20 0 GEADLO O=C(CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)N1CCOCC1 ZINC000153275782 531594654 /nfs/dbraw/zinc/59/46/54/531594654.db2.gz PBCUGFITWPEBDW-UHFFFAOYSA-N 1 2 386.323 2.012 20 0 GEADLO O=C(C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1)N1CCOCC1 ZINC000153275782 531594664 /nfs/dbraw/zinc/59/46/64/531594664.db2.gz PBCUGFITWPEBDW-UHFFFAOYSA-N 1 2 386.323 2.012 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000153518151 531602396 /nfs/dbraw/zinc/60/23/96/531602396.db2.gz BQRPNVYIEOMMAT-ZDUSSCGKSA-N 1 2 382.302 2.458 20 0 GEADLO COc1ccsc1S(=O)(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000153933451 531613238 /nfs/dbraw/zinc/61/32/38/531613238.db2.gz ZYYPRMFSOHZXFD-UHFFFAOYSA-N 1 2 381.523 2.305 20 0 GEADLO OC[C@@H](O)C[N@H+](CCC(F)(F)F)Cc1cc(Br)cc2c1OCC2 ZINC000153985838 531617210 /nfs/dbraw/zinc/61/72/10/531617210.db2.gz MJGNJTUFNILFSZ-ZDUSSCGKSA-N 1 2 398.219 2.492 20 0 GEADLO OC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1cc(Br)cc2c1OCC2 ZINC000153985838 531617217 /nfs/dbraw/zinc/61/72/17/531617217.db2.gz MJGNJTUFNILFSZ-ZDUSSCGKSA-N 1 2 398.219 2.492 20 0 GEADLO COc1sc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1Br ZINC000154069999 531622062 /nfs/dbraw/zinc/62/20/62/531622062.db2.gz DHFUDYGEIOFBBM-VIFPVBQESA-N 1 2 383.333 2.033 20 0 GEADLO COc1sc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1Br ZINC000154069999 531622070 /nfs/dbraw/zinc/62/20/70/531622070.db2.gz DHFUDYGEIOFBBM-VIFPVBQESA-N 1 2 383.333 2.033 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)c1cccc(F)c1 ZINC000027965538 531629475 /nfs/dbraw/zinc/62/94/75/531629475.db2.gz DOZJBCSIVDNRFW-LBPRGKRZSA-N 1 2 383.836 2.014 20 0 GEADLO Cc1nc(CNC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)sc1C ZINC000154722496 531629858 /nfs/dbraw/zinc/62/98/58/531629858.db2.gz XYLYXPNOJMZHRB-UHFFFAOYSA-N 1 2 381.523 2.025 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000030132866 531633125 /nfs/dbraw/zinc/63/31/25/531633125.db2.gz NLLNBDPPZLFJLE-ZDUSSCGKSA-N 1 2 387.933 2.461 20 0 GEADLO O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CC[NH+](CCO)CC1 ZINC000154807941 531632678 /nfs/dbraw/zinc/63/26/78/531632678.db2.gz OUSIPDIULGKRPI-UHFFFAOYSA-N 1 2 378.885 2.031 20 0 GEADLO O=C(Cc1ccc(Br)cc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031940863 531647184 /nfs/dbraw/zinc/64/71/84/531647184.db2.gz ITVVKXUFBWRAGY-QGZVFWFLSA-N 1 2 399.354 2.316 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000155027673 531649220 /nfs/dbraw/zinc/64/92/20/531649220.db2.gz HVUDHKKBQJJOBA-UHFFFAOYSA-N 1 2 376.511 2.431 20 0 GEADLO Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000032417473 531651561 /nfs/dbraw/zinc/65/15/61/531651561.db2.gz TYHYEWCSDUNXQA-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO CCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000155129509 531658310 /nfs/dbraw/zinc/65/83/10/531658310.db2.gz SDBKRBZHOZZVPE-ZFWWWQNUSA-N 1 2 382.302 2.214 20 0 GEADLO CCCNC(=O)[C@H]1CCC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000155129509 531658314 /nfs/dbraw/zinc/65/83/14/531658314.db2.gz SDBKRBZHOZZVPE-ZFWWWQNUSA-N 1 2 382.302 2.214 20 0 GEADLO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000155904642 531704250 /nfs/dbraw/zinc/70/42/50/531704250.db2.gz WCFZDPFQDKVLGE-CJNGLKHVSA-N 1 2 396.329 2.460 20 0 GEADLO CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000155904642 531704259 /nfs/dbraw/zinc/70/42/59/531704259.db2.gz WCFZDPFQDKVLGE-CJNGLKHVSA-N 1 2 396.329 2.460 20 0 GEADLO Cc1ccsc1CNC(=O)CS(=O)(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000156156072 531719084 /nfs/dbraw/zinc/71/90/84/531719084.db2.gz UZKBJJJRBMBWFH-UHFFFAOYSA-N 1 2 377.491 2.244 20 0 GEADLO C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1cc(Br)cs1 ZINC000047752348 531720621 /nfs/dbraw/zinc/72/06/21/531720621.db2.gz LHLGCYFTDXXZSH-UHFFFAOYSA-N 1 2 388.209 2.331 20 0 GEADLO C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1cc(Br)cs1 ZINC000047752348 531720628 /nfs/dbraw/zinc/72/06/28/531720628.db2.gz LHLGCYFTDXXZSH-UHFFFAOYSA-N 1 2 388.209 2.331 20 0 GEADLO C[N@H+](CCc1nccs1)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000157483186 531744788 /nfs/dbraw/zinc/74/47/88/531744788.db2.gz RDJCVKHNEINDMC-UHFFFAOYSA-N 1 2 376.873 2.490 20 0 GEADLO C[N@@H+](CCc1nccs1)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000157483186 531744797 /nfs/dbraw/zinc/74/47/97/531744797.db2.gz RDJCVKHNEINDMC-UHFFFAOYSA-N 1 2 376.873 2.490 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000052893643 531752005 /nfs/dbraw/zinc/75/20/05/531752005.db2.gz IPOXZNHZXFYDPQ-UHFFFAOYSA-N 1 2 377.535 2.390 20 0 GEADLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000054985618 531782081 /nfs/dbraw/zinc/78/20/81/531782081.db2.gz YUOWDNBVOROBTH-CQSZACIVSA-N 1 2 381.270 2.463 20 0 GEADLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000054985618 531782087 /nfs/dbraw/zinc/78/20/87/531782087.db2.gz YUOWDNBVOROBTH-CQSZACIVSA-N 1 2 381.270 2.463 20 0 GEADLO O=C(c1ccc(Br)c(C(F)(F)F)c1)N1CC[NH+](CCO)CC1 ZINC000158153886 531767513 /nfs/dbraw/zinc/76/75/13/531767513.db2.gz LWSCVWKCJURYHW-UHFFFAOYSA-N 1 2 381.192 2.218 20 0 GEADLO O=C(CNC(=O)c1ccsc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000158405707 531778487 /nfs/dbraw/zinc/77/84/87/531778487.db2.gz APURUVRVZUJPJQ-UHFFFAOYSA-N 1 2 377.897 2.476 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)cc1Br ZINC000055268986 531786080 /nfs/dbraw/zinc/78/60/80/531786080.db2.gz YINPSCWURVRJJM-UHFFFAOYSA-N 1 2 389.315 2.174 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000057678742 531822952 /nfs/dbraw/zinc/82/29/52/531822952.db2.gz UHSRYQGMYOAKFH-UHFFFAOYSA-N 1 2 396.329 2.004 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000161656580 531834360 /nfs/dbraw/zinc/83/43/60/531834360.db2.gz RCMDNNODCWRVFA-CYBMUJFWSA-N 1 2 393.285 2.313 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c(Cl)c1 ZINC000058923389 531838661 /nfs/dbraw/zinc/83/86/61/531838661.db2.gz SZIWEBYGTWBGJQ-ZDUSSCGKSA-N 1 2 387.933 2.331 20 0 GEADLO COc1ccc(Nc2nnc(SCC(=O)N3CC[NH+](C)CC3)s2)cc1 ZINC000061574282 531852929 /nfs/dbraw/zinc/85/29/29/531852929.db2.gz GBCJQWNXLDZOKZ-UHFFFAOYSA-N 1 2 379.511 2.156 20 0 GEADLO CC(C)[C@H]1CCC[N@@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000063618611 531859650 /nfs/dbraw/zinc/85/96/50/531859650.db2.gz PJVMMDITFHGCJK-NVXWUHKLSA-N 1 2 384.567 2.384 20 0 GEADLO CC(C)[C@H]1CCC[N@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000063618611 531859656 /nfs/dbraw/zinc/85/96/56/531859656.db2.gz PJVMMDITFHGCJK-NVXWUHKLSA-N 1 2 384.567 2.384 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000063760086 531861047 /nfs/dbraw/zinc/86/10/47/531861047.db2.gz VJNZEXKOZHIJIB-UHFFFAOYSA-N 1 2 388.295 2.172 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000063760086 531861051 /nfs/dbraw/zinc/86/10/51/531861051.db2.gz VJNZEXKOZHIJIB-UHFFFAOYSA-N 1 2 388.295 2.172 20 0 GEADLO CN(C)c1nc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)ns1 ZINC000163711478 531862711 /nfs/dbraw/zinc/86/27/11/531862711.db2.gz FGRNYWCJKYECSP-UHFFFAOYSA-N 1 2 381.933 2.454 20 0 GEADLO O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000163772657 531862851 /nfs/dbraw/zinc/86/28/51/531862851.db2.gz WJSFSWSHOYFXLO-ZDUSSCGKSA-N 1 2 386.279 2.255 20 0 GEADLO CC(C)n1nnnc1CN1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000163908599 531864291 /nfs/dbraw/zinc/86/42/91/531864291.db2.gz WWFZMAYGNJCZQK-UHFFFAOYSA-N 1 2 379.306 2.334 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000068104863 531897312 /nfs/dbraw/zinc/89/73/12/531897312.db2.gz LVUCMIXFZANFMX-AWEZNQCLSA-N 1 2 383.945 2.491 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000068104863 531897318 /nfs/dbraw/zinc/89/73/18/531897318.db2.gz LVUCMIXFZANFMX-AWEZNQCLSA-N 1 2 383.945 2.491 20 0 GEADLO Brc1cc(C[NH+]2CCN(c3cccnn3)CC2)cc2c1OCO2 ZINC000170648818 531886199 /nfs/dbraw/zinc/88/61/99/531886199.db2.gz IBEPPDVWNWCKCE-UHFFFAOYSA-N 1 2 377.242 2.290 20 0 GEADLO CCc1nc(CN(C)C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cs1 ZINC000067754905 531889249 /nfs/dbraw/zinc/88/92/49/531889249.db2.gz NJHDBOOBZGLGFU-KRWDZBQOSA-N 1 2 384.571 2.055 20 0 GEADLO CNC(=O)c1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000171758447 531913660 /nfs/dbraw/zinc/91/36/60/531913660.db2.gz GHDHMOUPRPMOCM-OAHLLOKOSA-N 1 2 376.254 2.125 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171803725 531918673 /nfs/dbraw/zinc/91/86/73/531918673.db2.gz WQCLHURZCCTNPX-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171803725 531918680 /nfs/dbraw/zinc/91/86/80/531918680.db2.gz WQCLHURZCCTNPX-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO CC[N@H+](Cc1cc2c(c(Br)c1)OCO2)[C@@H](C)CS(C)(=O)=O ZINC000171835097 531921305 /nfs/dbraw/zinc/92/13/05/531921305.db2.gz SXTGSWZVQOPYLN-JTQLQIEISA-N 1 2 378.288 2.433 20 0 GEADLO CC[N@@H+](Cc1cc2c(c(Br)c1)OCO2)[C@@H](C)CS(C)(=O)=O ZINC000171835097 531921317 /nfs/dbraw/zinc/92/13/17/531921317.db2.gz SXTGSWZVQOPYLN-JTQLQIEISA-N 1 2 378.288 2.433 20 0 GEADLO CCN(C1CC[NH+](Cc2ccc(Br)cn2)CC1)S(C)(=O)=O ZINC000171960950 531925666 /nfs/dbraw/zinc/92/56/66/531925666.db2.gz ZQTOWMUQSXGKNG-UHFFFAOYSA-N 1 2 376.320 2.090 20 0 GEADLO CCC[N@H+](CC(=O)N1CCNC(=O)C1)[C@@H](C)c1ccccc1Br ZINC000071954076 531916031 /nfs/dbraw/zinc/91/60/31/531916031.db2.gz MUMARNILOBBPKU-ZDUSSCGKSA-N 1 2 382.302 2.181 20 0 GEADLO CCC[N@@H+](CC(=O)N1CCNC(=O)C1)[C@@H](C)c1ccccc1Br ZINC000071954076 531916041 /nfs/dbraw/zinc/91/60/41/531916041.db2.gz MUMARNILOBBPKU-ZDUSSCGKSA-N 1 2 382.302 2.181 20 0 GEADLO COCC[N@@H+]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@H]1C ZINC000172224510 531940923 /nfs/dbraw/zinc/94/09/23/531940923.db2.gz ZXXZHHJCOAFUIC-LLVKDONJSA-N 1 2 381.274 2.118 20 0 GEADLO COCC[N@H+]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@H]1C ZINC000172224510 531940931 /nfs/dbraw/zinc/94/09/31/531940931.db2.gz ZXXZHHJCOAFUIC-LLVKDONJSA-N 1 2 381.274 2.118 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000112362527 531948263 /nfs/dbraw/zinc/94/82/63/531948263.db2.gz MCKXBFWGVRGWNK-CQSZACIVSA-N 1 2 388.917 2.082 20 0 GEADLO O=C(CSc1ccc(C(F)(F)F)cn1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114857586 531956986 /nfs/dbraw/zinc/95/69/86/531956986.db2.gz WURMPRREXFZTMU-ZDUSSCGKSA-N 1 2 375.416 2.172 20 0 GEADLO O=C(CSc1ccc(C(F)(F)F)cn1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114857586 531956990 /nfs/dbraw/zinc/95/69/90/531956990.db2.gz WURMPRREXFZTMU-ZDUSSCGKSA-N 1 2 375.416 2.172 20 0 GEADLO COCCCNC(=O)C[N@H+](C)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000117874836 531962176 /nfs/dbraw/zinc/96/21/76/531962176.db2.gz ZIWJFHNYSXXYRC-HSZRJFAPSA-N 1 2 381.325 2.186 20 0 GEADLO COCCCNC(=O)C[N@@H+](C)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000117874836 531962181 /nfs/dbraw/zinc/96/21/81/531962181.db2.gz ZIWJFHNYSXXYRC-HSZRJFAPSA-N 1 2 381.325 2.186 20 0 GEADLO CS(=O)(=O)N[C@@H]1CCC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000117873000 531962369 /nfs/dbraw/zinc/96/23/69/531962369.db2.gz GBRIIAAFPNJJPU-IPQOISQHSA-N 1 2 399.365 2.115 20 0 GEADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000117873000 531962374 /nfs/dbraw/zinc/96/23/74/531962374.db2.gz GBRIIAAFPNJJPU-IPQOISQHSA-N 1 2 399.365 2.115 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000172427502 531952932 /nfs/dbraw/zinc/95/29/32/531952932.db2.gz KJISRHFHVFURAM-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000172735093 531965739 /nfs/dbraw/zinc/96/57/39/531965739.db2.gz SRTLKLRITQHBAE-ZBFHGGJFSA-N 1 2 383.286 2.452 20 0 GEADLO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000172735093 531965746 /nfs/dbraw/zinc/96/57/46/531965746.db2.gz SRTLKLRITQHBAE-ZBFHGGJFSA-N 1 2 383.286 2.452 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000119777563 531973850 /nfs/dbraw/zinc/97/38/50/531973850.db2.gz XIZPUXNRJMJFRC-UHFFFAOYSA-N 1 2 387.184 2.058 20 0 GEADLO C[C@H](C[NH+]1CCN(CC(=O)NC2CC2)CC1)c1cccc(Br)c1 ZINC000120771815 531994218 /nfs/dbraw/zinc/99/42/18/531994218.db2.gz WROBFEJCKTVLPQ-CQSZACIVSA-N 1 2 380.330 2.449 20 0 GEADLO C[C@H](CN1CC[NH+](CC(=O)NC2CC2)CC1)c1cccc(Br)c1 ZINC000120771815 531994222 /nfs/dbraw/zinc/99/42/22/531994222.db2.gz WROBFEJCKTVLPQ-CQSZACIVSA-N 1 2 380.330 2.449 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[NH+](C(C)C)CC2)c(F)c1Cl ZINC000173011883 531980826 /nfs/dbraw/zinc/98/08/26/531980826.db2.gz NNJUSFUCIVTUFX-UHFFFAOYSA-N 1 2 395.859 2.291 20 0 GEADLO CC(C)[NH+]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC1 ZINC000120665795 531988002 /nfs/dbraw/zinc/98/80/02/531988002.db2.gz UNMHKHPKQBYGLC-UHFFFAOYSA-N 1 2 390.347 2.230 20 0 GEADLO C[C@@H](O)[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000120691041 531989861 /nfs/dbraw/zinc/98/98/61/531989861.db2.gz SCTRMTDTDBSYPQ-OLZOCXBDSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H](O)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000120691041 531989868 /nfs/dbraw/zinc/98/98/68/531989868.db2.gz SCTRMTDTDBSYPQ-OLZOCXBDSA-N 1 2 376.316 2.316 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c[nH]c(=O)c(Br)c2)c1C ZINC000173325280 532003762 /nfs/dbraw/zinc/00/37/62/532003762.db2.gz ORGAKQFYXKGNCV-UHFFFAOYSA-N 1 2 380.242 2.430 20 0 GEADLO CCN(CC)C(=O)C1([NH2+]Cc2csc(CS(C)(=O)=O)n2)CCCCC1 ZINC000173413927 532009618 /nfs/dbraw/zinc/00/96/18/532009618.db2.gz KNQGIBBAGPZWRM-UHFFFAOYSA-N 1 2 387.571 2.349 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000173510021 532016240 /nfs/dbraw/zinc/01/62/40/532016240.db2.gz PCVYCYRBDUACIQ-UHFFFAOYSA-N 1 2 381.274 2.350 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)c2[nH]nc(C(C)C)c2Br)CC1 ZINC000173640170 532024237 /nfs/dbraw/zinc/02/42/37/532024237.db2.gz KCZCLWUMABCXML-UHFFFAOYSA-N 1 2 387.322 2.478 20 0 GEADLO CN(CCCNC(=O)N1CC[NH+](Cc2cccs2)CC1)CC(F)(F)F ZINC000121403628 532026470 /nfs/dbraw/zinc/02/64/70/532026470.db2.gz MNAIMMHVTTXVBZ-UHFFFAOYSA-N 1 2 378.464 2.460 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000173766780 532031919 /nfs/dbraw/zinc/03/19/19/532031919.db2.gz ZQDOILDJGGAERP-GFCCVEGCSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3ccc(Cl)nc3Cl)CC2)S1 ZINC000173801040 532033612 /nfs/dbraw/zinc/03/36/12/532033612.db2.gz LFLNVIHTESESSS-VIFPVBQESA-N 1 2 395.337 2.186 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000173864016 532039338 /nfs/dbraw/zinc/03/93/38/532039338.db2.gz PJTSEKRDPKZYHD-NSHDSACASA-N 1 2 377.819 2.461 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[S@](=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000121659498 532040757 /nfs/dbraw/zinc/04/07/57/532040757.db2.gz OUWCVCWVDQEVSC-XMMPIXPASA-N 1 2 377.491 2.034 20 0 GEADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000121753913 532045645 /nfs/dbraw/zinc/04/56/45/532045645.db2.gz HLRATZYBZUGTIR-JKSUJKDBSA-N 1 2 382.917 2.414 20 0 GEADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000121753913 532045646 /nfs/dbraw/zinc/04/56/46/532045646.db2.gz HLRATZYBZUGTIR-JKSUJKDBSA-N 1 2 382.917 2.414 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000174128303 532051695 /nfs/dbraw/zinc/05/16/95/532051695.db2.gz IBRTZOKKRIOPEE-AWEZNQCLSA-N 1 2 395.352 2.156 20 0 GEADLO C[N@H+](CCc1cccs1)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000174155928 532053570 /nfs/dbraw/zinc/05/35/70/532053570.db2.gz NPMYHWVGSUSXBE-MRXNPFEDSA-N 1 2 384.567 2.181 20 0 GEADLO C[N@@H+](CCc1cccs1)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000174155928 532053576 /nfs/dbraw/zinc/05/35/76/532053576.db2.gz NPMYHWVGSUSXBE-MRXNPFEDSA-N 1 2 384.567 2.181 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000122340657 532065624 /nfs/dbraw/zinc/06/56/24/532065624.db2.gz VVRPYGYUHAFUSR-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000122340657 532065630 /nfs/dbraw/zinc/06/56/30/532065630.db2.gz VVRPYGYUHAFUSR-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO CCc1nsc(N2CCC[N@H+](CC(=O)N(C)Cc3cccs3)CC2)n1 ZINC000174513774 532068494 /nfs/dbraw/zinc/06/84/94/532068494.db2.gz PPNRJROVTVFKIS-UHFFFAOYSA-N 1 2 379.555 2.333 20 0 GEADLO CCc1nsc(N2CCC[N@@H+](CC(=O)N(C)Cc3cccs3)CC2)n1 ZINC000174513774 532068500 /nfs/dbraw/zinc/06/85/00/532068500.db2.gz PPNRJROVTVFKIS-UHFFFAOYSA-N 1 2 379.555 2.333 20 0 GEADLO CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000174631474 532072110 /nfs/dbraw/zinc/07/21/10/532072110.db2.gz KUUDLGGZGOKZPE-UHFFFAOYSA-N 1 2 395.232 2.304 20 0 GEADLO O=C(C[NH+]1CCN(c2cncc(Br)c2)CC1)NC1CCCCC1 ZINC000174727009 532075062 /nfs/dbraw/zinc/07/50/62/532075062.db2.gz BHCPFWIVVNTPAL-UHFFFAOYSA-N 1 2 381.318 2.415 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000174730049 532075603 /nfs/dbraw/zinc/07/56/03/532075603.db2.gz IBURSOMXQZIZNW-CYBMUJFWSA-N 1 2 387.299 2.368 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000174730049 532075613 /nfs/dbraw/zinc/07/56/13/532075613.db2.gz IBURSOMXQZIZNW-CYBMUJFWSA-N 1 2 387.299 2.368 20 0 GEADLO O=C(NCc1ccc(Br)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174781353 532078293 /nfs/dbraw/zinc/07/82/93/532078293.db2.gz OMUVKCGLKKOETH-MRXNPFEDSA-N 1 2 382.302 2.455 20 0 GEADLO CC(C)(CNC(=O)[C@@H]1COc2ccc(Br)cc21)[NH+]1CCOCC1 ZINC000123130422 532093349 /nfs/dbraw/zinc/09/33/49/532093349.db2.gz ZZLQETIBPQCZQR-CQSZACIVSA-N 1 2 383.286 2.152 20 0 GEADLO COC(=O)C1(NC(=O)C[N@H+](C)Cc2ccc(Br)o2)CCCCC1 ZINC000123313804 532097517 /nfs/dbraw/zinc/09/75/17/532097517.db2.gz PMRBDGDWVHWHQX-UHFFFAOYSA-N 1 2 387.274 2.466 20 0 GEADLO COC(=O)C1(NC(=O)C[N@@H+](C)Cc2ccc(Br)o2)CCCCC1 ZINC000123313804 532097524 /nfs/dbraw/zinc/09/75/24/532097524.db2.gz PMRBDGDWVHWHQX-UHFFFAOYSA-N 1 2 387.274 2.466 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCCSC)CC1 ZINC000123292356 532097874 /nfs/dbraw/zinc/09/78/74/532097874.db2.gz ZXPSTWGHNDMLOQ-UHFFFAOYSA-N 1 2 378.947 2.408 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000123559400 532103067 /nfs/dbraw/zinc/10/30/67/532103067.db2.gz GAKFQQKPOWWVDP-LBPRGKRZSA-N 1 2 388.892 2.418 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000123559400 532103069 /nfs/dbraw/zinc/10/30/69/532103069.db2.gz GAKFQQKPOWWVDP-LBPRGKRZSA-N 1 2 388.892 2.418 20 0 GEADLO Cc1cnc(C(C)(C)NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000175439449 532103857 /nfs/dbraw/zinc/10/38/57/532103857.db2.gz AIGPKWUNBYRQKY-KRWDZBQOSA-N 1 2 384.571 2.194 20 0 GEADLO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1NS(C)(=O)=O ZINC000123774182 532107207 /nfs/dbraw/zinc/10/72/07/532107207.db2.gz MDZJJEJUXWFUGC-UHFFFAOYSA-N 1 2 380.495 2.063 20 0 GEADLO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1NS(C)(=O)=O ZINC000123774182 532107213 /nfs/dbraw/zinc/10/72/13/532107213.db2.gz MDZJJEJUXWFUGC-UHFFFAOYSA-N 1 2 380.495 2.063 20 0 GEADLO C[C@@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 ZINC000175645538 532110401 /nfs/dbraw/zinc/11/04/01/532110401.db2.gz AODYPLKUKCNRKP-CYBMUJFWSA-N 1 2 379.917 2.233 20 0 GEADLO C[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)S(C)(=O)=O ZINC000123940469 532110706 /nfs/dbraw/zinc/11/07/06/532110706.db2.gz BBHJNHOESGBCRC-IXPVHAAZSA-N 1 2 376.881 2.021 20 0 GEADLO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)S(C)(=O)=O ZINC000123940469 532110709 /nfs/dbraw/zinc/11/07/09/532110709.db2.gz BBHJNHOESGBCRC-IXPVHAAZSA-N 1 2 376.881 2.021 20 0 GEADLO CCOCCNC(=O)C[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000175984826 532121637 /nfs/dbraw/zinc/12/16/37/532121637.db2.gz UKNKVUGSVWLEIB-OAHLLOKOSA-N 1 2 398.345 2.280 20 0 GEADLO O=C(CN1CCCC1=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000124437760 532122039 /nfs/dbraw/zinc/12/20/39/532122039.db2.gz TWFTVFHAIMCZAX-UHFFFAOYSA-N 1 2 384.307 2.303 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000124075545 532113386 /nfs/dbraw/zinc/11/33/86/532113386.db2.gz DSLCZSXRIAOUTN-CQSZACIVSA-N 1 2 390.908 2.353 20 0 GEADLO CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1c(F)cccc1Br ZINC000176073772 532125024 /nfs/dbraw/zinc/12/50/24/532125024.db2.gz CTHVRDLBJREVQB-UHFFFAOYSA-N 1 2 395.232 2.304 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCc2ccc(Cl)s2)CC1 ZINC000176254331 532131316 /nfs/dbraw/zinc/13/13/16/532131316.db2.gz LDIRFVNCNNGOET-ZDUSSCGKSA-N 1 2 384.933 2.240 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@H]1C ZINC000176308084 532133095 /nfs/dbraw/zinc/13/30/95/532133095.db2.gz CTPGPDREZZGSHW-NXEZZACHSA-N 1 2 391.693 2.335 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@H]1C ZINC000176308084 532133097 /nfs/dbraw/zinc/13/30/97/532133097.db2.gz CTPGPDREZZGSHW-NXEZZACHSA-N 1 2 391.693 2.335 20 0 GEADLO CN(C)C(=O)CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000126911801 532151747 /nfs/dbraw/zinc/15/17/47/532151747.db2.gz ADNRVASDULZZKD-MRXNPFEDSA-N 1 2 382.302 2.181 20 0 GEADLO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3ccc(Br)cc3O)C2)CC1 ZINC000176673858 532145614 /nfs/dbraw/zinc/14/56/14/532145614.db2.gz KOCOJJLHPNCHIM-OAHLLOKOSA-N 1 2 396.329 2.397 20 0 GEADLO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3ccc(Br)cc3O)C2)CC1 ZINC000176673858 532145620 /nfs/dbraw/zinc/14/56/20/532145620.db2.gz KOCOJJLHPNCHIM-OAHLLOKOSA-N 1 2 396.329 2.397 20 0 GEADLO COCC[C@@](C)(O)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000176672651 532145919 /nfs/dbraw/zinc/14/59/19/532145919.db2.gz DIYWPCWDVBACLB-FUHWJXTLSA-N 1 2 399.329 2.490 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1)NC(=O)NCC(F)(F)F ZINC000177394074 532170271 /nfs/dbraw/zinc/17/02/71/532170271.db2.gz MJXOADGILYVZKL-JTQLQIEISA-N 1 2 377.388 2.173 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1CC(=O)c1cccs1)NC(=O)NCC(F)(F)F ZINC000177394074 532170276 /nfs/dbraw/zinc/17/02/76/532170276.db2.gz MJXOADGILYVZKL-JTQLQIEISA-N 1 2 377.388 2.173 20 0 GEADLO C[C@@H](NC(=O)NCc1ccc(O)c(Br)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000127636363 532155890 /nfs/dbraw/zinc/15/58/90/532155890.db2.gz IAXNYVCEWDFUTG-VXGBXAGGSA-N 1 2 386.290 2.063 20 0 GEADLO C[C@@H](Cn1cncn1)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000127692042 532157209 /nfs/dbraw/zinc/15/72/09/532157209.db2.gz HEGVJMNCODGLIR-BBRMVZONSA-N 1 2 392.301 2.382 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)cnc1Cl ZINC000128364634 532163320 /nfs/dbraw/zinc/16/33/20/532163320.db2.gz SCLDDIFBMPJBQZ-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)cnc1Cl ZINC000128364634 532163322 /nfs/dbraw/zinc/16/33/22/532163322.db2.gz SCLDDIFBMPJBQZ-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1ccncc1Br ZINC000178035106 532190998 /nfs/dbraw/zinc/19/09/98/532190998.db2.gz IMBNYYOWFSWADA-UHFFFAOYSA-N 1 2 377.242 2.006 20 0 GEADLO O=C([C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N(CCO)CC[NH+]1CCOCC1 ZINC000130280261 532191681 /nfs/dbraw/zinc/19/16/81/532191681.db2.gz VZJIREDSPUJMBF-SJORKVTESA-N 1 2 387.307 2.250 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccncc2Br)CC1 ZINC000131529330 532199096 /nfs/dbraw/zinc/19/90/96/532199096.db2.gz SQTNZJOFXSGUKS-UHFFFAOYSA-N 1 2 379.258 2.407 20 0 GEADLO O=S(=O)(NCC(F)(F)F)N1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000131888096 532205680 /nfs/dbraw/zinc/20/56/80/532205680.db2.gz WRLDAIXBILYDCC-UHFFFAOYSA-N 1 2 385.839 2.291 20 0 GEADLO Cc1cc(C[NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)ccc1F ZINC000131918513 532206592 /nfs/dbraw/zinc/20/65/92/532206592.db2.gz HNMRLQWCFXSBAN-UHFFFAOYSA-N 1 2 383.411 2.085 20 0 GEADLO Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c(C)c1 ZINC000131985234 532207430 /nfs/dbraw/zinc/20/74/30/532207430.db2.gz KVVKGZNVNOHTNL-UHFFFAOYSA-N 1 2 379.448 2.254 20 0 GEADLO C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O)[NH+]1CCSCC1 ZINC000132031413 532208256 /nfs/dbraw/zinc/20/82/56/532208256.db2.gz MROXDNAYMUHNGB-CZUORRHYSA-N 1 2 381.929 2.341 20 0 GEADLO CCOc1cc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc(Br)c1O ZINC000132403645 532214726 /nfs/dbraw/zinc/21/47/26/532214726.db2.gz JBTGIBILPHRMRK-LLVKDONJSA-N 1 2 378.288 2.172 20 0 GEADLO CCOc1cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc(Br)c1O ZINC000132403645 532214730 /nfs/dbraw/zinc/21/47/30/532214730.db2.gz JBTGIBILPHRMRK-LLVKDONJSA-N 1 2 378.288 2.172 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000131764972 532203744 /nfs/dbraw/zinc/20/37/44/532203744.db2.gz QBVHQEZKERNKKS-SUMWQHHRSA-N 1 2 397.313 2.493 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1cccnc1Br ZINC000178499411 532204538 /nfs/dbraw/zinc/20/45/38/532204538.db2.gz ZRAZJRHPCKPAHI-UHFFFAOYSA-N 1 2 392.257 2.397 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000134350061 532255037 /nfs/dbraw/zinc/25/50/37/532255037.db2.gz FVKWFFZKBVVWEG-LBPRGKRZSA-N 1 2 379.295 2.490 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000134350061 532255039 /nfs/dbraw/zinc/25/50/39/532255039.db2.gz FVKWFFZKBVVWEG-LBPRGKRZSA-N 1 2 379.295 2.490 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000134333895 532255435 /nfs/dbraw/zinc/25/54/35/532255435.db2.gz NFXORBWAAQUQMP-CQSZACIVSA-N 1 2 379.295 2.490 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000134333895 532255436 /nfs/dbraw/zinc/25/54/36/532255436.db2.gz NFXORBWAAQUQMP-CQSZACIVSA-N 1 2 379.295 2.490 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000180334179 532267683 /nfs/dbraw/zinc/26/76/83/532267683.db2.gz GDCVULAULSSQIW-SNVBAGLBSA-N 1 2 399.257 2.174 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000180334179 532267684 /nfs/dbraw/zinc/26/76/84/532267684.db2.gz GDCVULAULSSQIW-SNVBAGLBSA-N 1 2 399.257 2.174 20 0 GEADLO CS(=O)(=O)c1ccccc1S(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000180796579 532281269 /nfs/dbraw/zinc/28/12/69/532281269.db2.gz VSNCYPRPPSXOPH-UHFFFAOYSA-N 1 2 394.396 2.243 20 0 GEADLO CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000180960546 532286144 /nfs/dbraw/zinc/28/61/44/532286144.db2.gz FJXCOPPALKFRKE-HNNXBMFYSA-N 1 2 388.555 2.469 20 0 GEADLO O=C1NC[C@@H]2C[N@H+](Cc3ccc(-c4cccc(Cl)c4)s3)CCN2C1=O ZINC000180487772 532272697 /nfs/dbraw/zinc/27/26/97/532272697.db2.gz GKBDHNQRQNXVLA-CQSZACIVSA-N 1 2 375.881 2.211 20 0 GEADLO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(-c4cccc(Cl)c4)s3)CCN2C1=O ZINC000180487772 532272703 /nfs/dbraw/zinc/27/27/03/532272703.db2.gz GKBDHNQRQNXVLA-CQSZACIVSA-N 1 2 375.881 2.211 20 0 GEADLO COCC[N@H+](Cc1ccc(Br)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000181197003 532292918 /nfs/dbraw/zinc/29/29/18/532292918.db2.gz OEENCUUZZWWLDW-HNNXBMFYSA-N 1 2 376.316 2.393 20 0 GEADLO COCC[N@@H+](Cc1ccc(Br)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000181197003 532292924 /nfs/dbraw/zinc/29/29/24/532292924.db2.gz OEENCUUZZWWLDW-HNNXBMFYSA-N 1 2 376.316 2.393 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CSCc1cc(-c2cccs2)on1 ZINC000140285509 532293923 /nfs/dbraw/zinc/29/39/23/532293923.db2.gz YHMJTKKZJKHEGH-ZDUSSCGKSA-N 1 2 381.523 2.473 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181325126 532295775 /nfs/dbraw/zinc/29/57/75/532295775.db2.gz GZJPVFPOIDEJOS-JTQLQIEISA-N 1 2 389.237 2.324 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181325126 532295777 /nfs/dbraw/zinc/29/57/77/532295777.db2.gz GZJPVFPOIDEJOS-JTQLQIEISA-N 1 2 389.237 2.324 20 0 GEADLO O=C(NCCCOCCO)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000181357685 532296571 /nfs/dbraw/zinc/29/65/71/532296571.db2.gz UAJIXYMAITYHDA-MRXNPFEDSA-N 1 2 385.302 2.101 20 0 GEADLO C[N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccc(Br)s1 ZINC000181518148 532300280 /nfs/dbraw/zinc/30/02/80/532300280.db2.gz JZBIMAOZTZKJEV-UHFFFAOYSA-N 1 2 377.304 2.400 20 0 GEADLO C[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccc(Br)s1 ZINC000181518148 532300282 /nfs/dbraw/zinc/30/02/82/532300282.db2.gz JZBIMAOZTZKJEV-UHFFFAOYSA-N 1 2 377.304 2.400 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH+](CCO[C@@H]3CCCCO3)CC2)c(C)s1 ZINC000181752965 532305681 /nfs/dbraw/zinc/30/56/81/532305681.db2.gz XGTSZCIVKIDJFH-QGZVFWFLSA-N 1 2 388.555 2.214 20 0 GEADLO O=C(CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)NCC(F)(F)F ZINC000181792691 532306787 /nfs/dbraw/zinc/30/67/87/532306787.db2.gz XYOPNBUNZGKTPH-UHFFFAOYSA-N 1 2 377.794 2.053 20 0 GEADLO CCOc1cc(C[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)ccc1OC(F)F ZINC000181933881 532308133 /nfs/dbraw/zinc/30/81/33/532308133.db2.gz RCUFREZGQJNIQI-LBPRGKRZSA-N 1 2 378.441 2.152 20 0 GEADLO CCOc1cc(C[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)ccc1OC(F)F ZINC000181933881 532308135 /nfs/dbraw/zinc/30/81/35/532308135.db2.gz RCUFREZGQJNIQI-LBPRGKRZSA-N 1 2 378.441 2.152 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000185666373 532338278 /nfs/dbraw/zinc/33/82/78/532338278.db2.gz DHBIKWIIPSURDT-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO CC[C@H]([NH2+]CC(=O)NC(=O)N[C@@H](C)COC)c1nc(C(F)(F)F)cs1 ZINC000185927208 532339021 /nfs/dbraw/zinc/33/90/21/532339021.db2.gz KBLOOHAYEOMNMN-IUCAKERBSA-N 1 2 382.408 2.063 20 0 GEADLO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000186194380 532340108 /nfs/dbraw/zinc/34/01/08/532340108.db2.gz NIKPXHLRJLGBCG-JTQLQIEISA-N 1 2 395.859 2.339 20 0 GEADLO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000186194380 532340109 /nfs/dbraw/zinc/34/01/09/532340109.db2.gz NIKPXHLRJLGBCG-JTQLQIEISA-N 1 2 395.859 2.339 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)CC(=O)c2cccc(Br)c2)CC1 ZINC000186801668 532342008 /nfs/dbraw/zinc/34/20/08/532342008.db2.gz AAGFEKNGRBVGTJ-ZIAGYGMSSA-N 1 2 397.313 2.183 20 0 GEADLO CC1(CO)CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000186900549 532342451 /nfs/dbraw/zinc/34/24/51/532342451.db2.gz JKFSOKBSARSBKT-UHFFFAOYSA-N 1 2 376.316 2.317 20 0 GEADLO C[C@H](CNC(=O)c1cc2c(cc1Br)NC(=O)CO2)Cn1cc[nH+]c1 ZINC000183653156 532327207 /nfs/dbraw/zinc/32/72/07/532327207.db2.gz YEAYSPXCAOIWLW-SNVBAGLBSA-N 1 2 393.241 2.043 20 0 GEADLO O=C(CCSCCOCC(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000184668772 532334242 /nfs/dbraw/zinc/33/42/42/532334242.db2.gz RXDIURRCEQCMFX-UHFFFAOYSA-N 1 2 377.432 2.432 20 0 GEADLO Cc1cc(NC(=O)C[N@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)no1 ZINC000184948025 532336275 /nfs/dbraw/zinc/33/62/75/532336275.db2.gz NGOVGZNAMSHFKP-CYBMUJFWSA-N 1 2 386.221 2.489 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)no1 ZINC000184948025 532336277 /nfs/dbraw/zinc/33/62/77/532336277.db2.gz NGOVGZNAMSHFKP-CYBMUJFWSA-N 1 2 386.221 2.489 20 0 GEADLO C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000187949379 532346127 /nfs/dbraw/zinc/34/61/27/532346127.db2.gz KJDJFXGVBMEMFN-TZMCWYRMSA-N 1 2 390.311 2.389 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000188177394 532347173 /nfs/dbraw/zinc/34/71/73/532347173.db2.gz RYGIYDTVWKJLJT-ZDUSSCGKSA-N 1 2 398.301 2.098 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000188460345 532348240 /nfs/dbraw/zinc/34/82/40/532348240.db2.gz VXKDEPCUCXNRMC-OAHLLOKOSA-N 1 2 391.269 2.032 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000189273100 532351650 /nfs/dbraw/zinc/35/16/50/532351650.db2.gz COOLMZDJGRLDMY-INIZCTEOSA-N 1 2 384.318 2.389 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000189273100 532351651 /nfs/dbraw/zinc/35/16/51/532351651.db2.gz COOLMZDJGRLDMY-INIZCTEOSA-N 1 2 384.318 2.389 20 0 GEADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000189588953 532352955 /nfs/dbraw/zinc/35/29/55/532352955.db2.gz LKSBMZNQNFKTKI-WFASDCNBSA-N 1 2 375.252 2.320 20 0 GEADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000189588953 532352956 /nfs/dbraw/zinc/35/29/56/532352956.db2.gz LKSBMZNQNFKTKI-WFASDCNBSA-N 1 2 375.252 2.320 20 0 GEADLO [NH3+]CC(F)(F)CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000190279839 532355421 /nfs/dbraw/zinc/35/54/21/532355421.db2.gz RWRSKOQGSJNKOW-UHFFFAOYSA-N 1 2 380.844 2.137 20 0 GEADLO C[C@H](NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000190455252 532356189 /nfs/dbraw/zinc/35/61/89/532356189.db2.gz LEOGAJOOPUWANB-UWVGGRQHSA-N 1 2 392.258 2.296 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)Cc1ccc(Cl)c(F)c1)[NH+]1CCN(C)CC1 ZINC000190873907 532358386 /nfs/dbraw/zinc/35/83/86/532358386.db2.gz JUYSQUOEYILDTI-KRWDZBQOSA-N 1 2 391.940 2.171 20 0 GEADLO Cc1cnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(Br)c1 ZINC000191002761 532359189 /nfs/dbraw/zinc/35/91/89/532359189.db2.gz UUUYHEHOPFRNRD-UHFFFAOYSA-N 1 2 381.318 2.287 20 0 GEADLO Cc1cnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(Br)c1 ZINC000191002761 532359190 /nfs/dbraw/zinc/35/91/90/532359190.db2.gz UUUYHEHOPFRNRD-UHFFFAOYSA-N 1 2 381.318 2.287 20 0 GEADLO C[N@H+](Cc1noc(Cc2ccc(Br)cc2)n1)C1(CO)CCOCC1 ZINC000191037895 532359262 /nfs/dbraw/zinc/35/92/62/532359262.db2.gz VHTWRLDRQNXYTD-UHFFFAOYSA-N 1 2 396.285 2.396 20 0 GEADLO C[N@@H+](Cc1noc(Cc2ccc(Br)cc2)n1)C1(CO)CCOCC1 ZINC000191037895 532359263 /nfs/dbraw/zinc/35/92/63/532359263.db2.gz VHTWRLDRQNXYTD-UHFFFAOYSA-N 1 2 396.285 2.396 20 0 GEADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191304746 532360310 /nfs/dbraw/zinc/36/03/10/532360310.db2.gz TXMGGNFWRDAYPI-SNVBAGLBSA-N 1 2 379.452 2.372 20 0 GEADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191304746 532360311 /nfs/dbraw/zinc/36/03/11/532360311.db2.gz TXMGGNFWRDAYPI-SNVBAGLBSA-N 1 2 379.452 2.372 20 0 GEADLO CC(C)[N@H+](CCS(C)(=O)=O)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187326252 532344074 /nfs/dbraw/zinc/34/40/74/532344074.db2.gz GLDJBEZXWFZJMM-AWEZNQCLSA-N 1 2 382.295 2.377 20 0 GEADLO CC(C)[N@@H+](CCS(C)(=O)=O)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187326252 532344075 /nfs/dbraw/zinc/34/40/75/532344075.db2.gz GLDJBEZXWFZJMM-AWEZNQCLSA-N 1 2 382.295 2.377 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ncc(Br)cc3F)C2=O)n(C)n1 ZINC000187356943 532344202 /nfs/dbraw/zinc/34/42/02/532344202.db2.gz HQMVVPGTNWKRTN-MFKMUULPSA-N 1 2 396.264 2.481 20 0 GEADLO CC(C)N1CC[C@@H]([N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1=O ZINC000191317554 532360519 /nfs/dbraw/zinc/36/05/19/532360519.db2.gz FNLSNKMBOBOQTQ-LLVKDONJSA-N 1 2 377.436 2.078 20 0 GEADLO CC(C)N1CC[C@@H]([N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1=O ZINC000191317554 532360520 /nfs/dbraw/zinc/36/05/20/532360520.db2.gz FNLSNKMBOBOQTQ-LLVKDONJSA-N 1 2 377.436 2.078 20 0 GEADLO Brc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(N2CCOCC2)c1 ZINC000191872710 532372136 /nfs/dbraw/zinc/37/21/36/532372136.db2.gz PRJNSBLIKRJYIQ-GOSISDBHSA-N 1 2 397.313 2.277 20 0 GEADLO Brc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)c(N2CCOCC2)c1 ZINC000191872710 532372142 /nfs/dbraw/zinc/37/21/42/532372142.db2.gz PRJNSBLIKRJYIQ-GOSISDBHSA-N 1 2 397.313 2.277 20 0 GEADLO CC(C)(C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)c1c[nH]c[nH+]1 ZINC000621973573 532375758 /nfs/dbraw/zinc/37/57/58/532375758.db2.gz QSUCMIWNEJHSKI-ZDUSSCGKSA-N 1 2 380.286 2.417 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCN(CCO)Cc1cc(Br)ccc1F ZINC000191478252 532361189 /nfs/dbraw/zinc/36/11/89/532361189.db2.gz QZLKTHGSAGSZOQ-ZDUSSCGKSA-N 1 2 375.282 2.103 20 0 GEADLO C[C@H]1COCC[N@H+]1CCN(CCO)Cc1cc(Br)ccc1F ZINC000191478252 532361190 /nfs/dbraw/zinc/36/11/90/532361190.db2.gz QZLKTHGSAGSZOQ-ZDUSSCGKSA-N 1 2 375.282 2.103 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C[C@H]1C ZINC000677148124 532365709 /nfs/dbraw/zinc/36/57/09/532365709.db2.gz ULPJCUAQSFHPBZ-SNVBAGLBSA-N 1 2 377.869 2.152 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C[C@H]1C ZINC000677148124 532365711 /nfs/dbraw/zinc/36/57/11/532365711.db2.gz ULPJCUAQSFHPBZ-SNVBAGLBSA-N 1 2 377.869 2.152 20 0 GEADLO O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000515470895 532366545 /nfs/dbraw/zinc/36/65/45/532366545.db2.gz GBKRSNWPMPCQPR-RHSMWYFYSA-N 1 2 384.929 2.418 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)c1cc2c(s1)CCS(=O)(=O)C2)c1cccs1 ZINC000372003103 532366935 /nfs/dbraw/zinc/36/69/35/532366935.db2.gz DHUZCTDHFCQBID-LBPRGKRZSA-N 1 2 384.548 2.313 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(O)ccc3Br)C2)nn1 ZINC000372035094 532367799 /nfs/dbraw/zinc/36/77/99/532367799.db2.gz AYPCIVNDHRFLFJ-LBPRGKRZSA-N 1 2 395.257 2.370 20 0 GEADLO Cc1cc(Cl)ccc1S(=O)(=O)NCCNc1cc[nH+]c2ccncc12 ZINC000557763239 532371060 /nfs/dbraw/zinc/37/10/60/532371060.db2.gz UUJDOWGODZCOGI-UHFFFAOYSA-N 1 2 376.869 2.404 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@@H]1C ZINC000677422046 532371734 /nfs/dbraw/zinc/37/17/34/532371734.db2.gz FLNYEUMQFWDFOM-VIFPVBQESA-N 1 2 383.258 2.442 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@@H]1C ZINC000677422046 532371744 /nfs/dbraw/zinc/37/17/44/532371744.db2.gz FLNYEUMQFWDFOM-VIFPVBQESA-N 1 2 383.258 2.442 20 0 GEADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)CCC2 ZINC000372244742 532379004 /nfs/dbraw/zinc/37/90/04/532379004.db2.gz XDSDKOOEPIMTBJ-CYBMUJFWSA-N 1 2 381.885 2.312 20 0 GEADLO Cc1sc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1CS(C)(=O)=O ZINC000558025134 532380344 /nfs/dbraw/zinc/38/03/44/532380344.db2.gz NYDCOCFYYYVBOK-DVOMOZLQSA-N 1 2 384.567 2.403 20 0 GEADLO Cc1sc(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1CS(C)(=O)=O ZINC000558025134 532380352 /nfs/dbraw/zinc/38/03/52/532380352.db2.gz NYDCOCFYYYVBOK-DVOMOZLQSA-N 1 2 384.567 2.403 20 0 GEADLO C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)c2[nH+]ccn21 ZINC000622880116 532380759 /nfs/dbraw/zinc/38/07/59/532380759.db2.gz LYPRADCHKKRKIH-CABZTGNLSA-N 1 2 388.229 2.057 20 0 GEADLO C[C@H](C(=O)NC1(c2noc(C(F)(F)F)n2)CCCC1)[NH+]1CCSCC1 ZINC000558020321 532380751 /nfs/dbraw/zinc/38/07/51/532380751.db2.gz LEWXBJCQUZWTGW-SNVBAGLBSA-N 1 2 378.420 2.411 20 0 GEADLO COC(=O)C[C@]1([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCOC1 ZINC000463725227 532380995 /nfs/dbraw/zinc/38/09/95/532380995.db2.gz CPIACPNNBYMDAW-MRXNPFEDSA-N 1 2 385.251 2.386 20 0 GEADLO Cn1nc(Br)cc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000192053594 532381141 /nfs/dbraw/zinc/38/11/41/532381141.db2.gz DZNZDMSHOZBFSG-UHFFFAOYSA-N 1 2 393.285 2.019 20 0 GEADLO Cc1cc(C(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)ccc1Br ZINC000372292351 532382164 /nfs/dbraw/zinc/38/21/64/532382164.db2.gz AHYOWZYJOYWQFZ-GOSISDBHSA-N 1 2 397.313 2.369 20 0 GEADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H](C(F)F)C2)ccc1Cl ZINC000677735702 532382932 /nfs/dbraw/zinc/38/29/32/532382932.db2.gz UNMGPHHETNNFNO-SNVBAGLBSA-N 1 2 395.859 2.116 20 0 GEADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@@H](C(F)F)C2)ccc1Cl ZINC000677735702 532382937 /nfs/dbraw/zinc/38/29/37/532382937.db2.gz UNMGPHHETNNFNO-SNVBAGLBSA-N 1 2 395.859 2.116 20 0 GEADLO Cc1c(Br)cccc1C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000463797737 532383787 /nfs/dbraw/zinc/38/37/87/532383787.db2.gz IDEZLFKHUYDVHP-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1ccc2cc(Br)ccc2c1 ZINC000425298322 532383947 /nfs/dbraw/zinc/38/39/47/532383947.db2.gz WPMPQLAANYRHQO-QGZVFWFLSA-N 1 2 393.281 2.025 20 0 GEADLO CN(CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C(=O)c1ccc(Br)o1 ZINC000590726655 532384492 /nfs/dbraw/zinc/38/44/92/532384492.db2.gz GSWACCRKWOGRMZ-LBPRGKRZSA-N 1 2 395.257 2.174 20 0 GEADLO Cn1nc(Br)cc1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000192207712 532395579 /nfs/dbraw/zinc/39/55/79/532395579.db2.gz PSZORYBQTUNXOH-UHFFFAOYSA-N 1 2 379.258 2.267 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000463854206 532384741 /nfs/dbraw/zinc/38/47/41/532384741.db2.gz IEYFBRHJBFXPGX-UHFFFAOYSA-N 1 2 390.908 2.152 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000590794729 532387127 /nfs/dbraw/zinc/38/71/27/532387127.db2.gz GCEIQHLVYZITPF-JSGCOSHPSA-N 1 2 382.511 2.168 20 0 GEADLO CCS(=O)(=O)N1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@H](C)C1 ZINC000558129360 532387291 /nfs/dbraw/zinc/38/72/91/532387291.db2.gz FVJXIQMORVPZOY-CYBMUJFWSA-N 1 2 380.432 2.484 20 0 GEADLO CCS(=O)(=O)N1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@H](C)C1 ZINC000558129360 532387294 /nfs/dbraw/zinc/38/72/94/532387294.db2.gz FVJXIQMORVPZOY-CYBMUJFWSA-N 1 2 380.432 2.484 20 0 GEADLO Cn1nc2cc(Br)ccc2c1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000648219168 532388421 /nfs/dbraw/zinc/38/84/21/532388421.db2.gz MVSAHLGVVNLXSE-UHFFFAOYSA-N 1 2 395.301 2.176 20 0 GEADLO C[N@H+](CCn1cc(Br)cn1)CC(=O)Nc1cccc2nsnc21 ZINC000558182791 532388528 /nfs/dbraw/zinc/38/85/28/532388528.db2.gz ILQVJBFWSAKPTM-UHFFFAOYSA-N 1 2 395.286 2.221 20 0 GEADLO C[N@@H+](CCn1cc(Br)cn1)CC(=O)Nc1cccc2nsnc21 ZINC000558182791 532388532 /nfs/dbraw/zinc/38/85/32/532388532.db2.gz ILQVJBFWSAKPTM-UHFFFAOYSA-N 1 2 395.286 2.221 20 0 GEADLO CCc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)[nH+]1 ZINC000279134734 532389646 /nfs/dbraw/zinc/38/96/46/532389646.db2.gz WWLBWOROADMTMN-JTQLQIEISA-N 1 2 380.495 2.144 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)NCc1ccccc1Br ZINC000516633221 532389856 /nfs/dbraw/zinc/38/98/56/532389856.db2.gz JFANNLPWXPFFHS-UHFFFAOYSA-N 1 2 387.237 2.029 20 0 GEADLO CCOc1cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)cc(Cl)c1OC ZINC000372403891 532390712 /nfs/dbraw/zinc/39/07/12/532390712.db2.gz HXXIZNXEWKZBTG-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO CCOc1cc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)cc(Cl)c1OC ZINC000372403891 532390717 /nfs/dbraw/zinc/39/07/17/532390717.db2.gz HXXIZNXEWKZBTG-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)N(C)CCc1cccc(Br)c1 ZINC000464175541 532390744 /nfs/dbraw/zinc/39/07/44/532390744.db2.gz PMZIUIXDQRCPOU-UHFFFAOYSA-N 1 2 392.253 2.492 20 0 GEADLO CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000516815545 532393205 /nfs/dbraw/zinc/39/32/05/532393205.db2.gz VMUDJLLBVLUVOJ-ZDUSSCGKSA-N 1 2 377.501 2.027 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C[C@H]1C ZINC000678322887 532393274 /nfs/dbraw/zinc/39/32/74/532393274.db2.gz DSTHBKYUSPVULZ-LLVKDONJSA-N 1 2 389.315 2.019 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C[C@H]1C ZINC000678322887 532393280 /nfs/dbraw/zinc/39/32/80/532393280.db2.gz DSTHBKYUSPVULZ-LLVKDONJSA-N 1 2 389.315 2.019 20 0 GEADLO CC[N@H+](CCCS(=O)(=O)NC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000591084527 532398665 /nfs/dbraw/zinc/39/86/65/532398665.db2.gz PNBMXBSDSVDHNQ-UHFFFAOYSA-N 1 2 382.313 2.193 20 0 GEADLO CC[N@@H+](CCCS(=O)(=O)NC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000591084527 532398667 /nfs/dbraw/zinc/39/86/67/532398667.db2.gz PNBMXBSDSVDHNQ-UHFFFAOYSA-N 1 2 382.313 2.193 20 0 GEADLO Cc1nc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)sc1Br ZINC000678486026 532396655 /nfs/dbraw/zinc/39/66/55/532396655.db2.gz FKAXOWKLYPHMEL-SNVBAGLBSA-N 1 2 391.316 2.436 20 0 GEADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000678574742 532397231 /nfs/dbraw/zinc/39/72/31/532397231.db2.gz RLNGKNCSBWTLBZ-GFCCVEGCSA-N 1 2 379.869 2.043 20 0 GEADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000678574742 532397239 /nfs/dbraw/zinc/39/72/39/532397239.db2.gz RLNGKNCSBWTLBZ-GFCCVEGCSA-N 1 2 379.869 2.043 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNc1ccc(OC)c[nH+]1 ZINC000648481841 532400647 /nfs/dbraw/zinc/40/06/47/532400647.db2.gz NQCSURDYVPWRDB-NSHDSACASA-N 1 2 394.269 2.978 20 0 GEADLO CCC1(CC)C[N@H+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)CCS1 ZINC000464581821 532399150 /nfs/dbraw/zinc/39/91/50/532399150.db2.gz JCRYRTDOADBRRU-INIZCTEOSA-N 1 2 390.615 2.266 20 0 GEADLO CCC1(CC)C[N@@H+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)CCS1 ZINC000464581821 532399152 /nfs/dbraw/zinc/39/91/52/532399152.db2.gz JCRYRTDOADBRRU-INIZCTEOSA-N 1 2 390.615 2.266 20 0 GEADLO CC(C)CCN(CCC(C)C)S(=O)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000678618755 532399169 /nfs/dbraw/zinc/39/91/69/532399169.db2.gz BUPXCAZNOTVFDZ-SFHVURJKSA-N 1 2 375.579 2.032 20 0 GEADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)CCOC(C)C)CC2)cs1 ZINC000372721491 532402719 /nfs/dbraw/zinc/40/27/19/532402719.db2.gz XFOFZXZLIZHNQR-UHFFFAOYSA-N 1 2 375.560 2.008 20 0 GEADLO C[C@@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000559383619 532402274 /nfs/dbraw/zinc/40/22/74/532402274.db2.gz KKSIYLUSFRUXTG-CYBMUJFWSA-N 1 2 393.285 2.419 20 0 GEADLO Cc1sc2ncnc(SCC(=O)NCC[N@H+]3CCOC[C@H]3C)c2c1C ZINC000591228261 532402331 /nfs/dbraw/zinc/40/23/31/532402331.db2.gz VUSZYGAKHRCFMD-LLVKDONJSA-N 1 2 380.539 2.237 20 0 GEADLO Cc1sc2ncnc(SCC(=O)NCC[N@@H+]3CCOC[C@H]3C)c2c1C ZINC000591228261 532402342 /nfs/dbraw/zinc/40/23/42/532402342.db2.gz VUSZYGAKHRCFMD-LLVKDONJSA-N 1 2 380.539 2.237 20 0 GEADLO O=C(c1cc(Br)c(F)cc1O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000295107549 532404020 /nfs/dbraw/zinc/40/40/20/532404020.db2.gz KYLDYNXKVLIJKT-NSHDSACASA-N 1 2 387.249 2.088 20 0 GEADLO Cn1ncc(CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)c1C(F)(F)F ZINC000464789993 532404535 /nfs/dbraw/zinc/40/45/35/532404535.db2.gz HYOVERWFXMNLQO-UHFFFAOYSA-N 1 2 390.309 2.313 20 0 GEADLO O=S(=O)(c1cc(Cl)sc1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000679471188 532405682 /nfs/dbraw/zinc/40/56/82/532405682.db2.gz DGYRJGHVSOLDQY-ZJUUUORDSA-N 1 2 385.338 2.275 20 0 GEADLO Cc1ccc(Br)c(C)c1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000559948767 532408192 /nfs/dbraw/zinc/40/81/92/532408192.db2.gz FHSSJDYYBJLEGM-UHFFFAOYSA-N 1 2 392.301 2.115 20 0 GEADLO CSc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000372742986 532406263 /nfs/dbraw/zinc/40/62/63/532406263.db2.gz RJVSRJNLUUHKAA-GFCCVEGCSA-N 1 2 379.345 2.424 20 0 GEADLO CSc1cc(Br)ccc1C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000372742986 532406267 /nfs/dbraw/zinc/40/62/67/532406267.db2.gz RJVSRJNLUUHKAA-GFCCVEGCSA-N 1 2 379.345 2.424 20 0 GEADLO CCCc1ccc(Cl)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000560036879 532409965 /nfs/dbraw/zinc/40/99/65/532409965.db2.gz OBBFTAIGCQYGIP-HNNXBMFYSA-N 1 2 387.977 2.454 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427040655 532410259 /nfs/dbraw/zinc/41/02/59/532410259.db2.gz KNCUJSVRBLLIEQ-GFCCVEGCSA-N 1 2 377.242 2.024 20 0 GEADLO C[C@@H](NC(=O)COc1ccc(Br)cc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000591340328 532409025 /nfs/dbraw/zinc/40/90/25/532409025.db2.gz WDUQSQKYLUQEJO-VXGBXAGGSA-N 1 2 389.265 2.192 20 0 GEADLO CC(=O)c1ccc(C[N@@H+]2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000295163455 532412720 /nfs/dbraw/zinc/41/27/20/532412720.db2.gz HGJUXTOCJVDHRT-HUUCEWRRSA-N 1 2 378.416 2.143 20 0 GEADLO CC(=O)c1ccc(C[N@H+]2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000295163455 532412725 /nfs/dbraw/zinc/41/27/25/532412725.db2.gz HGJUXTOCJVDHRT-HUUCEWRRSA-N 1 2 378.416 2.143 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000591588723 532414271 /nfs/dbraw/zinc/41/42/71/532414271.db2.gz MOVZGGFFBWOKOX-CVEARBPZSA-N 1 2 382.302 2.279 20 0 GEADLO CC(C)[N@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000372861434 532414300 /nfs/dbraw/zinc/41/43/00/532414300.db2.gz NCCAIKIYNVTDKA-ZDUSSCGKSA-N 1 2 389.315 2.124 20 0 GEADLO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000372861434 532414305 /nfs/dbraw/zinc/41/43/05/532414305.db2.gz NCCAIKIYNVTDKA-ZDUSSCGKSA-N 1 2 389.315 2.124 20 0 GEADLO Cc1ncsc1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000591541672 532414340 /nfs/dbraw/zinc/41/43/40/532414340.db2.gz DHHBVOUOKWHYOS-AWEZNQCLSA-N 1 2 379.555 2.301 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccccc1Br)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372874023 532415645 /nfs/dbraw/zinc/41/56/45/532415645.db2.gz VJLQKOQZKWYMON-DZGCQCFKSA-N 1 2 392.297 2.175 20 0 GEADLO Cc1cc(Br)c(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)s1 ZINC000295192179 532416189 /nfs/dbraw/zinc/41/61/89/532416189.db2.gz LHQDTYOVFOCPEX-UHFFFAOYSA-N 1 2 393.332 2.378 20 0 GEADLO COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Cl)c1 ZINC000517425522 532416278 /nfs/dbraw/zinc/41/62/78/532416278.db2.gz NRQQOAMWKJCRPQ-CHWSQXEVSA-N 1 2 376.906 2.126 20 0 GEADLO C[C@H](CNC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1)[NH+]1CCOCC1 ZINC000465527232 532418445 /nfs/dbraw/zinc/41/84/45/532418445.db2.gz HRMWJPKHLGTZDM-SNVBAGLBSA-N 1 2 380.436 2.417 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000465609237 532418694 /nfs/dbraw/zinc/41/86/94/532418694.db2.gz SYFMZBYNQSLRKG-JTQLQIEISA-N 1 2 380.436 2.417 20 0 GEADLO Cc1ccc(C(=O)NCc2c[nH+]c(C)nc2N)cc1I ZINC000560501627 532417636 /nfs/dbraw/zinc/41/76/36/532417636.db2.gz OZGKIIZJUMMPRF-UHFFFAOYSA-N 1 2 382.205 2.210 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)NCCCOc2ccc(Cl)cc2Cl)CC1 ZINC000560702803 532421148 /nfs/dbraw/zinc/42/11/48/532421148.db2.gz RXDPYEIXJDJCAT-UHFFFAOYSA-N 1 2 388.295 2.043 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000295235947 532424217 /nfs/dbraw/zinc/42/42/17/532424217.db2.gz UHGWWWCOUBUEDL-UHFFFAOYSA-N 1 2 380.539 2.499 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCc2c(Br)cccc2C1 ZINC000517914786 532430561 /nfs/dbraw/zinc/43/05/61/532430561.db2.gz PTFPMKOZUUDKEI-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCc2c(Br)cccc2C1 ZINC000517914786 532430564 /nfs/dbraw/zinc/43/05/64/532430564.db2.gz PTFPMKOZUUDKEI-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)CCn2ccccc2=O)c1 ZINC000649948069 532432285 /nfs/dbraw/zinc/43/22/85/532432285.db2.gz BLMUIHKBVREYMS-MRXNPFEDSA-N 1 2 381.270 2.285 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)CCn2ccccc2=O)c1 ZINC000649948069 532432279 /nfs/dbraw/zinc/43/22/79/532432279.db2.gz BLMUIHKBVREYMS-MRXNPFEDSA-N 1 2 381.270 2.285 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)CN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000591997383 532431711 /nfs/dbraw/zinc/43/17/11/532431711.db2.gz BROGBODRABOFTO-ZJUUUORDSA-N 1 2 383.217 2.497 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCO1 ZINC000427874848 532435419 /nfs/dbraw/zinc/43/54/19/532435419.db2.gz JDQNFSZAGMWPIJ-NSHDSACASA-N 1 2 392.258 2.298 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCO1 ZINC000427874848 532435421 /nfs/dbraw/zinc/43/54/21/532435421.db2.gz JDQNFSZAGMWPIJ-NSHDSACASA-N 1 2 392.258 2.298 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000466828093 532435415 /nfs/dbraw/zinc/43/54/15/532435415.db2.gz HHIHRAHUNUQJPJ-QMMMGPOBSA-N 1 2 387.184 2.067 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000626166033 532435528 /nfs/dbraw/zinc/43/55/28/532435528.db2.gz LLZPYEWHKMGVGS-GFCCVEGCSA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000626166033 532435535 /nfs/dbraw/zinc/43/55/35/532435535.db2.gz LLZPYEWHKMGVGS-GFCCVEGCSA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000466829121 532435633 /nfs/dbraw/zinc/43/56/33/532435633.db2.gz PAAXIYFZGCIDPN-KRWDZBQOSA-N 1 2 382.917 2.429 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000466829121 532435638 /nfs/dbraw/zinc/43/56/38/532435638.db2.gz PAAXIYFZGCIDPN-KRWDZBQOSA-N 1 2 382.917 2.429 20 0 GEADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000466735595 532434074 /nfs/dbraw/zinc/43/40/74/532434074.db2.gz PXUCCYXCSDCJQC-IYBDPMFKSA-N 1 2 383.286 2.150 20 0 GEADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000466735595 532434077 /nfs/dbraw/zinc/43/40/77/532434077.db2.gz PXUCCYXCSDCJQC-IYBDPMFKSA-N 1 2 383.286 2.150 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCc3cc(F)cc(Br)c3C2)C1 ZINC000626132778 532434566 /nfs/dbraw/zinc/43/45/66/532434566.db2.gz YIGVRVFNAZNRFB-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCc3cc(F)cc(Br)c3C2)C1 ZINC000626132778 532434572 /nfs/dbraw/zinc/43/45/72/532434572.db2.gz YIGVRVFNAZNRFB-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000626168324 532435137 /nfs/dbraw/zinc/43/51/37/532435137.db2.gz PMRJDFMJJDDKLR-CQSZACIVSA-N 1 2 387.933 2.157 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000626168324 532435143 /nfs/dbraw/zinc/43/51/43/532435143.db2.gz PMRJDFMJJDDKLR-CQSZACIVSA-N 1 2 387.933 2.157 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1Cl ZINC000193984625 532441026 /nfs/dbraw/zinc/44/10/26/532441026.db2.gz GYPKHWXBOLSDRW-VXGBXAGGSA-N 1 2 378.947 2.138 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1Cl ZINC000193984625 532441031 /nfs/dbraw/zinc/44/10/31/532441031.db2.gz GYPKHWXBOLSDRW-VXGBXAGGSA-N 1 2 378.947 2.138 20 0 GEADLO CN(CC1(C)COC1)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000626584008 532441014 /nfs/dbraw/zinc/44/10/14/532441014.db2.gz ZPEYMLQCLLKXDF-UHFFFAOYSA-N 1 2 399.289 2.181 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000467157938 532439643 /nfs/dbraw/zinc/43/96/43/532439643.db2.gz KCKIVKSIDNWZTC-UHFFFAOYSA-N 1 2 387.184 2.058 20 0 GEADLO O=C(COc1cccc(I)c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000373330995 532443977 /nfs/dbraw/zinc/44/39/77/532443977.db2.gz HUGCIXQADCOUSA-LLVKDONJSA-N 1 2 397.216 2.067 20 0 GEADLO O=C(COc1cccc(I)c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000373330995 532443982 /nfs/dbraw/zinc/44/39/82/532443982.db2.gz HUGCIXQADCOUSA-LLVKDONJSA-N 1 2 397.216 2.067 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000518470243 532441892 /nfs/dbraw/zinc/44/18/92/532441892.db2.gz VFHYSTRAYMWEQL-UHFFFAOYSA-N 1 2 376.770 2.399 20 0 GEADLO CC(C)n1cc[nH+]c1CN1CCCN(S(=O)(=O)[C@@H](C)C(F)(F)F)CC1 ZINC000373390097 532447194 /nfs/dbraw/zinc/44/71/94/532447194.db2.gz FBPHJOAZCRQOFI-ZDUSSCGKSA-N 1 2 382.452 2.252 20 0 GEADLO OC[C@@H]1CC[N@@H+](Cc2ccc(I)cc2Cl)C[C@H]1O ZINC000561783402 532451852 /nfs/dbraw/zinc/45/18/52/532451852.db2.gz VIEJSXOLXSILBM-GXFFZTMASA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@@H]1CC[N@H+](Cc2ccc(I)cc2Cl)C[C@H]1O ZINC000561783402 532451849 /nfs/dbraw/zinc/45/18/49/532451849.db2.gz VIEJSXOLXSILBM-GXFFZTMASA-N 1 2 381.641 2.120 20 0 GEADLO COC(=O)c1nc([C@H]2CCC[N@@H+]2CCCNC(=O)C(F)(F)F)sc1C ZINC000373503051 532454381 /nfs/dbraw/zinc/45/43/81/532454381.db2.gz QIVNSXQQJTWIJQ-SNVBAGLBSA-N 1 2 379.404 2.444 20 0 GEADLO COC(=O)c1nc([C@H]2CCC[N@H+]2CCCNC(=O)C(F)(F)F)sc1C ZINC000373503051 532454386 /nfs/dbraw/zinc/45/43/86/532454386.db2.gz QIVNSXQQJTWIJQ-SNVBAGLBSA-N 1 2 379.404 2.444 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(OC)cc2Br)CC1 ZINC000561945399 532454940 /nfs/dbraw/zinc/45/49/40/532454940.db2.gz SFZLWKUCNXGHJF-UHFFFAOYSA-N 1 2 398.345 2.444 20 0 GEADLO NS(=O)(=O)c1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cs1 ZINC000194757098 532455354 /nfs/dbraw/zinc/45/53/54/532455354.db2.gz QZEJLDCZNSARMD-UHFFFAOYSA-N 1 2 386.524 2.090 20 0 GEADLO CC(C)[C@@H]1C[C@H](Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)CS1 ZINC000683111266 532455871 /nfs/dbraw/zinc/45/58/71/532455871.db2.gz SGXYICZBSMBXLH-HOTGVXAUSA-N 1 2 384.571 2.105 20 0 GEADLO COc1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc(I)c1OC ZINC000373519069 532456101 /nfs/dbraw/zinc/45/61/01/532456101.db2.gz ZJDGAUCEEJEHER-ZDUSSCGKSA-N 1 2 389.233 2.265 20 0 GEADLO COc1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc(I)c1OC ZINC000373519069 532456107 /nfs/dbraw/zinc/45/61/07/532456107.db2.gz ZJDGAUCEEJEHER-ZDUSSCGKSA-N 1 2 389.233 2.265 20 0 GEADLO O=C(N[C@@H](CO)CCF)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000650865137 532456135 /nfs/dbraw/zinc/45/61/35/532456135.db2.gz ZNQPJPHUCDEENK-HUUCEWRRSA-N 1 2 375.847 2.463 20 0 GEADLO O=C(N[C@@H](CO)CCF)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000650865137 532456140 /nfs/dbraw/zinc/45/61/40/532456140.db2.gz ZNQPJPHUCDEENK-HUUCEWRRSA-N 1 2 375.847 2.463 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2csc(C)c2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000373587591 532458895 /nfs/dbraw/zinc/45/88/95/532458895.db2.gz XWFWIDBMLGTCQC-ZMSDIMECSA-N 1 2 384.567 2.270 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](c2csc(C)c2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000373587591 532458901 /nfs/dbraw/zinc/45/89/01/532458901.db2.gz XWFWIDBMLGTCQC-ZMSDIMECSA-N 1 2 384.567 2.270 20 0 GEADLO O=S(=O)(CCC[NH+]1CCC2(CC1)CCS(=O)(=O)CC2)c1ccccc1 ZINC000428698980 532458941 /nfs/dbraw/zinc/45/89/41/532458941.db2.gz IKZFVUJQSKJBSL-UHFFFAOYSA-N 1 2 385.551 2.141 20 0 GEADLO C[C@H](C(=O)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F)[NH+]1CC(C)C1 ZINC000519178180 532459329 /nfs/dbraw/zinc/45/93/29/532459329.db2.gz CUCODQCVDQLSQE-SNVBAGLBSA-N 1 2 389.880 2.199 20 0 GEADLO O=C(CNC(=O)Cc1cn2c([nH+]1)CCCC2)Nc1ccc(Br)cc1 ZINC000651138108 532461804 /nfs/dbraw/zinc/46/18/04/532461804.db2.gz ZDCZIIFVMHQMJY-UHFFFAOYSA-N 1 2 391.269 2.279 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194901245 532463876 /nfs/dbraw/zinc/46/38/76/532463876.db2.gz QDMURPRDDQFHPL-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194901245 532463878 /nfs/dbraw/zinc/46/38/78/532463878.db2.gz QDMURPRDDQFHPL-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO CO[C@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1)C(F)(F)F ZINC000651327991 532464859 /nfs/dbraw/zinc/46/48/59/532464859.db2.gz NVJLPWDMNWMXBD-TZMCWYRMSA-N 1 2 379.448 2.120 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1ccc(Cl)cc1Br ZINC000282435715 532466015 /nfs/dbraw/zinc/46/60/15/532466015.db2.gz BMXGRNSPVMLPCA-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1ccc(Cl)cc1Br ZINC000282435715 532466022 /nfs/dbraw/zinc/46/60/22/532466022.db2.gz BMXGRNSPVMLPCA-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO CS(=O)(=O)N1CC[N@H+](CCOCC(F)(F)C(F)F)Cc2ccccc21 ZINC000373745882 532466104 /nfs/dbraw/zinc/46/61/04/532466104.db2.gz MADYMZDQJLWUPJ-UHFFFAOYSA-N 1 2 384.395 2.185 20 0 GEADLO CS(=O)(=O)N1CC[N@@H+](CCOCC(F)(F)C(F)F)Cc2ccccc21 ZINC000373745882 532466110 /nfs/dbraw/zinc/46/61/10/532466110.db2.gz MADYMZDQJLWUPJ-UHFFFAOYSA-N 1 2 384.395 2.185 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000683951502 532469625 /nfs/dbraw/zinc/46/96/25/532469625.db2.gz XCHYUAURPRGPDR-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000683951502 532469630 /nfs/dbraw/zinc/46/96/30/532469630.db2.gz XCHYUAURPRGPDR-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1nc2cc(Br)cnc2[nH]1 ZINC000651385390 532471170 /nfs/dbraw/zinc/47/11/70/532471170.db2.gz DUTYTDNSCZKHNS-UHFFFAOYSA-N 1 2 389.257 2.112 20 0 GEADLO CCOC(=O)c1csc(CCNC(=O)C[N@@H+]2CCc3sccc3C2)n1 ZINC000373735503 532467343 /nfs/dbraw/zinc/46/73/43/532467343.db2.gz ZWTBKHRDQMKHFX-UHFFFAOYSA-N 1 2 379.507 2.098 20 0 GEADLO CCOC(=O)c1csc(CCNC(=O)C[N@H+]2CCc3sccc3C2)n1 ZINC000373735503 532467345 /nfs/dbraw/zinc/46/73/45/532467345.db2.gz ZWTBKHRDQMKHFX-UHFFFAOYSA-N 1 2 379.507 2.098 20 0 GEADLO NC(=O)c1cn(C2CC[NH+](Cc3cccc(Br)c3F)CC2)nn1 ZINC000628426216 532467401 /nfs/dbraw/zinc/46/74/01/532467401.db2.gz PVIBJQHJLXBXDR-UHFFFAOYSA-N 1 2 382.237 2.116 20 0 GEADLO CC(F)(F)CNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000519746997 532476651 /nfs/dbraw/zinc/47/66/51/532476651.db2.gz QMRPCUJTWYOTKB-UHFFFAOYSA-N 1 2 379.205 2.457 20 0 GEADLO O=C(C[N@H+]1CCCN(Cc2cnc(C(F)(F)F)s2)CC1)N1CCCC1 ZINC000373895603 532477253 /nfs/dbraw/zinc/47/72/53/532477253.db2.gz AJOXDGHTWFYBAN-UHFFFAOYSA-N 1 2 376.448 2.292 20 0 GEADLO O=C(C[N@@H+]1CCCN(Cc2cnc(C(F)(F)F)s2)CC1)N1CCCC1 ZINC000373895603 532477260 /nfs/dbraw/zinc/47/72/60/532477260.db2.gz AJOXDGHTWFYBAN-UHFFFAOYSA-N 1 2 376.448 2.292 20 0 GEADLO Cc1ccc(NC(=O)C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc1Cl ZINC000562705378 532477723 /nfs/dbraw/zinc/47/77/23/532477723.db2.gz SYJMATARWCGBNE-UHFFFAOYSA-N 1 2 385.917 2.087 20 0 GEADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651567925 532477787 /nfs/dbraw/zinc/47/77/87/532477787.db2.gz YZVSWZJIAKMUFA-UHFFFAOYSA-N 1 2 378.885 2.015 20 0 GEADLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651567925 532477794 /nfs/dbraw/zinc/47/77/94/532477794.db2.gz YZVSWZJIAKMUFA-UHFFFAOYSA-N 1 2 378.885 2.015 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@@H+]1CCSC2(CCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000562705848 532477884 /nfs/dbraw/zinc/47/78/84/532477884.db2.gz SJFSBPINTJWHLD-HZPDHXFCSA-N 1 2 388.599 2.162 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@H+]1CCSC2(CCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000562705848 532477889 /nfs/dbraw/zinc/47/78/89/532477889.db2.gz SJFSBPINTJWHLD-HZPDHXFCSA-N 1 2 388.599 2.162 20 0 GEADLO Cc1cc(Br)sc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000651567370 532478416 /nfs/dbraw/zinc/47/84/16/532478416.db2.gz AXZGOGNUZXQJCD-JTQLQIEISA-N 1 2 397.360 2.066 20 0 GEADLO O=C(NCC1CC[NH+](CC(F)F)CC1)c1c[nH]c(=O)c(Br)c1 ZINC000519793703 532478513 /nfs/dbraw/zinc/47/85/13/532478513.db2.gz RUWPGQRCXTYASC-UHFFFAOYSA-N 1 2 378.217 2.257 20 0 GEADLO CN(C)c1[nH+]cccc1NC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000520019966 532483516 /nfs/dbraw/zinc/48/35/16/532483516.db2.gz RRCJVUSQLVRMSB-UHFFFAOYSA-N 1 2 398.282 2.323 20 0 GEADLO C[C@@H](NC(=O)NCc1ccsc1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000282649761 532485436 /nfs/dbraw/zinc/48/54/36/532485436.db2.gz FNQDIQSDCSDJSP-GHMZBOCLSA-N 1 2 376.320 2.419 20 0 GEADLO O=C(Nc1nnc(-c2cc(Br)ccc2F)s1)[C@@H]1COCC[NH2+]1 ZINC000430081194 532489068 /nfs/dbraw/zinc/48/90/68/532489068.db2.gz CYIQRAKUFJGIGG-JTQLQIEISA-N 1 2 387.234 2.034 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(Br)c2c1OCCC2 ZINC000469081275 532490688 /nfs/dbraw/zinc/49/06/88/532490688.db2.gz WCZVEFVRJHGQFT-UHFFFAOYSA-N 1 2 383.286 2.178 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccc(Br)cc1 ZINC000629441836 532491896 /nfs/dbraw/zinc/49/18/96/532491896.db2.gz XXURJNRRHIFCBT-KRWDZBQOSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccc(Br)cc1 ZINC000629441836 532491902 /nfs/dbraw/zinc/49/19/02/532491902.db2.gz XXURJNRRHIFCBT-KRWDZBQOSA-N 1 2 390.281 2.475 20 0 GEADLO C[N@@H+]1CC[C@H](CNS(=O)(=O)NCC(F)(F)F)[C@@H]1c1cccc(Cl)c1 ZINC000374237917 532493943 /nfs/dbraw/zinc/49/39/43/532493943.db2.gz NZIJSEIBEXXCSL-YPMHNXCESA-N 1 2 385.839 2.319 20 0 GEADLO C[N@H+]1CC[C@H](CNS(=O)(=O)NCC(F)(F)F)[C@@H]1c1cccc(Cl)c1 ZINC000374237917 532493952 /nfs/dbraw/zinc/49/39/52/532493952.db2.gz NZIJSEIBEXXCSL-YPMHNXCESA-N 1 2 385.839 2.319 20 0 GEADLO C[N@@H+]1CC[C@@H](CNS(=O)(=O)NCC(F)(F)F)[C@@H]1c1cccc(Cl)c1 ZINC000374237913 532494572 /nfs/dbraw/zinc/49/45/72/532494572.db2.gz NZIJSEIBEXXCSL-AAEUAGOBSA-N 1 2 385.839 2.319 20 0 GEADLO C[N@H+]1CC[C@@H](CNS(=O)(=O)NCC(F)(F)F)[C@@H]1c1cccc(Cl)c1 ZINC000374237913 532494578 /nfs/dbraw/zinc/49/45/78/532494578.db2.gz NZIJSEIBEXXCSL-AAEUAGOBSA-N 1 2 385.839 2.319 20 0 GEADLO COC[C@@H](C)CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000685496618 532495341 /nfs/dbraw/zinc/49/53/41/532495341.db2.gz LVXVATPWJUZVKM-KGLIPLIRSA-N 1 2 376.469 2.131 20 0 GEADLO COC[C@@H](C)CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000685496618 532495342 /nfs/dbraw/zinc/49/53/42/532495342.db2.gz LVXVATPWJUZVKM-KGLIPLIRSA-N 1 2 376.469 2.131 20 0 GEADLO CN1CC[NH+]([C@@H](CNC(=O)NC[C@@H]2CCCSC2)c2cccs2)CC1 ZINC000519663906 532474715 /nfs/dbraw/zinc/47/47/15/532474715.db2.gz SZISNAMQWMYUGX-HOTGVXAUSA-N 1 2 382.599 2.479 20 0 GEADLO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)nnn1-c1cccc(Br)c1 ZINC000282898612 532504132 /nfs/dbraw/zinc/50/41/32/532504132.db2.gz WQILOUCHTDLMMF-QWRGUYRKSA-N 1 2 398.280 2.463 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000563435345 532505716 /nfs/dbraw/zinc/50/57/16/532505716.db2.gz JPXUXNJOTXQHQX-CYBMUJFWSA-N 1 2 381.523 2.170 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000563435345 532505721 /nfs/dbraw/zinc/50/57/21/532505721.db2.gz JPXUXNJOTXQHQX-CYBMUJFWSA-N 1 2 381.523 2.170 20 0 GEADLO COCCCS(=O)(=O)N1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000431159491 532506158 /nfs/dbraw/zinc/50/61/58/532506158.db2.gz OYYMLVCVCHOVMK-UHFFFAOYSA-N 1 2 392.974 2.416 20 0 GEADLO C[C@@H](NCC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)c1csnn1 ZINC000563605353 532506441 /nfs/dbraw/zinc/50/64/41/532506441.db2.gz XGJGGVCVTKVAHB-CYBMUJFWSA-N 1 2 379.917 2.187 20 0 GEADLO Cc1c(Br)cc(C(=O)NCc2ccn3cc[nH+]c3c2)c(=O)n1C ZINC000469610257 532507143 /nfs/dbraw/zinc/50/71/43/532507143.db2.gz ZJUSFCAAFNMVLZ-UHFFFAOYSA-N 1 2 375.226 2.034 20 0 GEADLO CSc1ccc([C@H](CNC(=O)c2coc(S(C)(=O)=O)c2)[NH+](C)C)cc1 ZINC000652371742 532508687 /nfs/dbraw/zinc/50/86/87/532508687.db2.gz BEDZPHKIEDIPIL-HNNXBMFYSA-N 1 2 382.507 2.438 20 0 GEADLO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000282981623 532511211 /nfs/dbraw/zinc/51/12/11/532511211.db2.gz KGWDYSWXGSYLJS-CQSZACIVSA-N 1 2 388.555 2.170 20 0 GEADLO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000282981623 532511218 /nfs/dbraw/zinc/51/12/18/532511218.db2.gz KGWDYSWXGSYLJS-CQSZACIVSA-N 1 2 388.555 2.170 20 0 GEADLO O=C(NCc1cccs1)c1cc(NC(=O)[C@@H]2COCC[NH2+]2)ccc1Cl ZINC000237757393 532511334 /nfs/dbraw/zinc/51/13/34/532511334.db2.gz WMBXWFPNLXBYEC-HNNXBMFYSA-N 1 2 379.869 2.258 20 0 GEADLO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000374580254 532511892 /nfs/dbraw/zinc/51/18/92/532511892.db2.gz OLGKENSGIRAQCS-VIFPVBQESA-N 1 2 384.420 2.055 20 0 GEADLO COC(=O)[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1C ZINC000469865149 532514394 /nfs/dbraw/zinc/51/43/94/532514394.db2.gz UTIYHLFKMHLZMF-RISCZKNCSA-N 1 2 390.299 2.106 20 0 GEADLO COC(=O)[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1C ZINC000469865149 532514399 /nfs/dbraw/zinc/51/43/99/532514399.db2.gz UTIYHLFKMHLZMF-RISCZKNCSA-N 1 2 390.299 2.106 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1ncc(C(F)(F)F)s1 ZINC000374687517 532514656 /nfs/dbraw/zinc/51/46/56/532514656.db2.gz RWYGPKJNWIXTLB-ZDUSSCGKSA-N 1 2 396.460 2.491 20 0 GEADLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)n1cc(C[NH+]2CCSCC2)nn1 ZINC000594656181 532516937 /nfs/dbraw/zinc/51/69/37/532516937.db2.gz GTZCSAZOBYPBNG-MRXNPFEDSA-N 1 2 380.901 2.437 20 0 GEADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000521807203 532519285 /nfs/dbraw/zinc/51/92/85/532519285.db2.gz QARIXXDBNHAFST-YPMHNXCESA-N 1 2 384.307 2.464 20 0 GEADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000521807203 532519289 /nfs/dbraw/zinc/51/92/89/532519289.db2.gz QARIXXDBNHAFST-YPMHNXCESA-N 1 2 384.307 2.464 20 0 GEADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)[nH+]1 ZINC000564092781 532517371 /nfs/dbraw/zinc/51/73/71/532517371.db2.gz LKRKWOFRAOHMGJ-NSHDSACASA-N 1 2 384.889 2.090 20 0 GEADLO COc1cc[nH+]cc1CNS(=O)(=O)c1cc(Br)ccc1OC ZINC000431583606 532517442 /nfs/dbraw/zinc/51/74/42/532517442.db2.gz FOCUBSCMNWHYPN-UHFFFAOYSA-N 1 2 387.255 2.340 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000283096761 532517480 /nfs/dbraw/zinc/51/74/80/532517480.db2.gz RLMRKRYGJSHXCB-BONVTDFDSA-N 1 2 379.258 2.097 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000283096761 532517486 /nfs/dbraw/zinc/51/74/86/532517486.db2.gz RLMRKRYGJSHXCB-BONVTDFDSA-N 1 2 379.258 2.097 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000296058035 532498305 /nfs/dbraw/zinc/49/83/05/532498305.db2.gz CQIQAPQBYCZLOU-CQSZACIVSA-N 1 2 388.917 2.058 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000296058035 532498314 /nfs/dbraw/zinc/49/83/14/532498314.db2.gz CQIQAPQBYCZLOU-CQSZACIVSA-N 1 2 388.917 2.058 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)c(F)cc1O ZINC000296068514 532498431 /nfs/dbraw/zinc/49/84/31/532498431.db2.gz GLRODLVNFTTZIU-JTQLQIEISA-N 1 2 375.238 2.087 20 0 GEADLO C[C@H](C[NH2+]Cc1c(Br)cncc1Br)S(C)(=O)=O ZINC000685842652 532499190 /nfs/dbraw/zinc/49/91/90/532499190.db2.gz FKWHGFIDUPHCGM-SSDOTTSWSA-N 1 2 386.109 2.129 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)COc2ccc(C=O)cc2Br)C1 ZINC000374366348 532499604 /nfs/dbraw/zinc/49/96/04/532499604.db2.gz RTVHDXSPLUZBHW-ZDUSSCGKSA-N 1 2 392.253 2.390 20 0 GEADLO C[C@@H](C[NH2+]Cc1c(Br)cncc1Br)S(C)(=O)=O ZINC000685842653 532499924 /nfs/dbraw/zinc/49/99/24/532499924.db2.gz FKWHGFIDUPHCGM-ZETCQYMHSA-N 1 2 386.109 2.129 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000296080102 532500661 /nfs/dbraw/zinc/50/06/61/532500661.db2.gz CKJNTUDIKCEDSN-MRXNPFEDSA-N 1 2 375.252 2.443 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000296080102 532500665 /nfs/dbraw/zinc/50/06/65/532500665.db2.gz CKJNTUDIKCEDSN-MRXNPFEDSA-N 1 2 375.252 2.443 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374391094 532501411 /nfs/dbraw/zinc/50/14/11/532501411.db2.gz QDYYXGFVXFNGLS-OAHLLOKOSA-N 1 2 391.269 2.343 20 0 GEADLO Cc1csc(NC(=O)C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)n1 ZINC000470803198 532536812 /nfs/dbraw/zinc/53/68/12/532536812.db2.gz NDSMOBBBOGUWGF-STQMWFEESA-N 1 2 383.518 2.391 20 0 GEADLO Cc1csc(NC(=O)C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)n1 ZINC000470803198 532536819 /nfs/dbraw/zinc/53/68/19/532536819.db2.gz NDSMOBBBOGUWGF-STQMWFEESA-N 1 2 383.518 2.391 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000375142410 532537409 /nfs/dbraw/zinc/53/74/09/532537409.db2.gz KYHRIXWFQMBTSI-LLVKDONJSA-N 1 2 383.857 2.418 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(Br)cc(Cl)c2O)C[C@H]1C ZINC000246287113 532537614 /nfs/dbraw/zinc/53/76/14/532537614.db2.gz XKMJCZSCEFIYGY-ZJUUUORDSA-N 1 2 391.693 2.335 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(Br)cc(Cl)c2O)C[C@H]1C ZINC000246287113 532537617 /nfs/dbraw/zinc/53/76/17/532537617.db2.gz XKMJCZSCEFIYGY-ZJUUUORDSA-N 1 2 391.693 2.335 20 0 GEADLO Cc1ccc(C[NH+]2CCN(c3nccn(C)c3=O)CC2)cc1Br ZINC000526082862 532539345 /nfs/dbraw/zinc/53/93/45/532539345.db2.gz AIICSELWBVMBBJ-UHFFFAOYSA-N 1 2 377.286 2.173 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)n1 ZINC000470939264 532539473 /nfs/dbraw/zinc/53/94/73/532539473.db2.gz DESCHSXWTDXWKN-GXSJLCMTSA-N 1 2 379.404 2.460 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)n1 ZINC000470939264 532539479 /nfs/dbraw/zinc/53/94/79/532539479.db2.gz DESCHSXWTDXWKN-GXSJLCMTSA-N 1 2 379.404 2.460 20 0 GEADLO Ic1ccc2c(c1)[C@H]([NH2+]Cc1nnnn1C1CC1)CC2 ZINC000595029623 532540804 /nfs/dbraw/zinc/54/08/04/532540804.db2.gz XHUDBDOIJGBYHQ-CYBMUJFWSA-N 1 2 381.221 2.390 20 0 GEADLO CSC[C@H]1CCC[N@@H+]1CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000246567406 532541597 /nfs/dbraw/zinc/54/15/97/532541597.db2.gz BQNIPXKLHZPJDB-SJORKVTESA-N 1 2 388.599 2.162 20 0 GEADLO CSC[C@H]1CCC[N@H+]1CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000246567406 532541599 /nfs/dbraw/zinc/54/15/99/532541599.db2.gz BQNIPXKLHZPJDB-SJORKVTESA-N 1 2 388.599 2.162 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)Cc1ccnn1C ZINC000471083322 532541850 /nfs/dbraw/zinc/54/18/50/532541850.db2.gz QVXHXMXGFMWHAN-NSHDSACASA-N 1 2 398.248 2.484 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)Cc1ccnn1C ZINC000471083322 532541859 /nfs/dbraw/zinc/54/18/59/532541859.db2.gz QVXHXMXGFMWHAN-NSHDSACASA-N 1 2 398.248 2.484 20 0 GEADLO O[C@@H](COC1CCOCC1)C[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000653836016 532542011 /nfs/dbraw/zinc/54/20/11/532542011.db2.gz TWDRMRIKJQWNBL-CYBMUJFWSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@@H](COC1CCOCC1)C[N@H+]1CCOc2cccc(Br)c2C1 ZINC000653836016 532542021 /nfs/dbraw/zinc/54/20/21/532542021.db2.gz TWDRMRIKJQWNBL-CYBMUJFWSA-N 1 2 386.286 2.200 20 0 GEADLO Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1Cl ZINC000283471425 532542423 /nfs/dbraw/zinc/54/24/23/532542423.db2.gz GQNCDLCQWUMJHK-UHFFFAOYSA-N 1 2 379.873 2.316 20 0 GEADLO CCOc1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc(Br)c1OC ZINC000375238413 532543887 /nfs/dbraw/zinc/54/38/87/532543887.db2.gz QTPVZJRZXPJDKO-CQSZACIVSA-N 1 2 385.302 2.373 20 0 GEADLO CCOc1cc(C[N@H+]2CCN3CCOC[C@H]3C2)cc(Br)c1OC ZINC000375238413 532543890 /nfs/dbraw/zinc/54/38/90/532543890.db2.gz QTPVZJRZXPJDKO-CQSZACIVSA-N 1 2 385.302 2.373 20 0 GEADLO CCOc1cc(CN2CC[N@@H+]3CCOC[C@H]3C2)cc(Br)c1OC ZINC000375238413 532543897 /nfs/dbraw/zinc/54/38/97/532543897.db2.gz QTPVZJRZXPJDKO-CQSZACIVSA-N 1 2 385.302 2.373 20 0 GEADLO CCOc1cc(CN2CC[N@H+]3CCOC[C@H]3C2)cc(Br)c1OC ZINC000375238413 532543902 /nfs/dbraw/zinc/54/39/02/532543902.db2.gz QTPVZJRZXPJDKO-CQSZACIVSA-N 1 2 385.302 2.373 20 0 GEADLO CSCC[C@@H](C)[N@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000246877965 532544027 /nfs/dbraw/zinc/54/40/27/532544027.db2.gz JTINHPFXNBTOTB-ZBFHGGJFSA-N 1 2 376.588 2.018 20 0 GEADLO CSCC[C@@H](C)[N@@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000246877965 532544034 /nfs/dbraw/zinc/54/40/34/532544034.db2.gz JTINHPFXNBTOTB-ZBFHGGJFSA-N 1 2 376.588 2.018 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)CCOC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245577744 532522025 /nfs/dbraw/zinc/52/20/25/532522025.db2.gz FSUHLJYWIHOAGI-JKSUJKDBSA-N 1 2 393.912 2.027 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)N(C)CCOC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245577744 532522036 /nfs/dbraw/zinc/52/20/36/532522036.db2.gz FSUHLJYWIHOAGI-JKSUJKDBSA-N 1 2 393.912 2.027 20 0 GEADLO C[C@@H](c1nnc(-c2cccc(F)c2)s1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000374876871 532522108 /nfs/dbraw/zinc/52/21/08/532522108.db2.gz NKPZZRYYAODPRQ-NWDGAFQWSA-N 1 2 384.502 2.406 20 0 GEADLO C[C@@H](c1nnc(-c2cccc(F)c2)s1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000374876871 532522111 /nfs/dbraw/zinc/52/21/11/532522111.db2.gz NKPZZRYYAODPRQ-NWDGAFQWSA-N 1 2 384.502 2.406 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000470204665 532522666 /nfs/dbraw/zinc/52/26/66/532522666.db2.gz BFLOCZCFPRXHAL-GFCCVEGCSA-N 1 2 393.372 2.269 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000470204665 532522669 /nfs/dbraw/zinc/52/26/69/532522669.db2.gz BFLOCZCFPRXHAL-GFCCVEGCSA-N 1 2 393.372 2.269 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245712193 532522950 /nfs/dbraw/zinc/52/29/50/532522950.db2.gz PGCSXKPNCOUPEF-KFNAQCHYSA-N 1 2 390.908 2.269 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245712193 532522955 /nfs/dbraw/zinc/52/29/55/532522955.db2.gz PGCSXKPNCOUPEF-KFNAQCHYSA-N 1 2 390.908 2.269 20 0 GEADLO Cc1cc(Br)cn2cc(CCNc3nc(C(N)=O)cs3)[nH+]c12 ZINC000432128920 532526933 /nfs/dbraw/zinc/52/69/33/532526933.db2.gz ICZRMBDEQPEPSN-UHFFFAOYSA-N 1 2 380.271 2.615 20 0 GEADLO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245932756 532528413 /nfs/dbraw/zinc/52/84/13/532528413.db2.gz ZUBALGCTYRWTRI-CZUORRHYSA-N 1 2 396.329 2.460 20 0 GEADLO CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245932756 532528421 /nfs/dbraw/zinc/52/84/21/532528421.db2.gz ZUBALGCTYRWTRI-CZUORRHYSA-N 1 2 396.329 2.460 20 0 GEADLO CC1(C)CC[NH+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000524026960 532528777 /nfs/dbraw/zinc/52/87/77/532528777.db2.gz UJULWGKDHCJCPP-OAHLLOKOSA-N 1 2 384.567 2.386 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(Br)c(C)nc2OC)CCO1 ZINC000470438466 532529084 /nfs/dbraw/zinc/52/90/84/532529084.db2.gz OEUJMJVNKMXAKP-LBPRGKRZSA-N 1 2 386.290 2.002 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)c(C)nc2OC)CCO1 ZINC000470438466 532529086 /nfs/dbraw/zinc/52/90/86/532529086.db2.gz OEUJMJVNKMXAKP-LBPRGKRZSA-N 1 2 386.290 2.002 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)CSc2ccc(C(F)(F)F)cn2)CCO1 ZINC000470443902 532529315 /nfs/dbraw/zinc/52/93/15/532529315.db2.gz BRVMFCJZYUBCFI-CYBMUJFWSA-N 1 2 377.432 2.420 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)CSc2ccc(C(F)(F)F)cn2)CCO1 ZINC000470443902 532529321 /nfs/dbraw/zinc/52/93/21/532529321.db2.gz BRVMFCJZYUBCFI-CYBMUJFWSA-N 1 2 377.432 2.420 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000246093369 532530778 /nfs/dbraw/zinc/53/07/78/532530778.db2.gz KNSDTWDQMZWPAL-QWHCGFSZSA-N 1 2 378.897 2.253 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2Cl)CC[N@H+]1C[C@H](C)O ZINC000246093369 532530780 /nfs/dbraw/zinc/53/07/80/532530780.db2.gz KNSDTWDQMZWPAL-QWHCGFSZSA-N 1 2 378.897 2.253 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000630920535 532534355 /nfs/dbraw/zinc/53/43/55/532534355.db2.gz RGAGXRNGNZBADP-UHFFFAOYSA-N 1 2 379.448 2.408 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000630920535 532534360 /nfs/dbraw/zinc/53/43/60/532534360.db2.gz RGAGXRNGNZBADP-UHFFFAOYSA-N 1 2 379.448 2.408 20 0 GEADLO COC(=O)CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)ccc2F)C1=O ZINC000595297602 532553818 /nfs/dbraw/zinc/55/38/18/532553818.db2.gz XGVJXYXWCNECFP-CQSZACIVSA-N 1 2 387.249 2.184 20 0 GEADLO COC(=O)CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)ccc2F)C1=O ZINC000595297602 532553827 /nfs/dbraw/zinc/55/38/27/532553827.db2.gz XGVJXYXWCNECFP-CQSZACIVSA-N 1 2 387.249 2.184 20 0 GEADLO COC(=O)CCN1CC[C@H]([N@H+](C)Cc2cc(Br)ccc2OC)C1=O ZINC000595291997 532553938 /nfs/dbraw/zinc/55/39/38/532553938.db2.gz NVHWDKIEVAYPOS-AWEZNQCLSA-N 1 2 399.285 2.054 20 0 GEADLO COC(=O)CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)ccc2OC)C1=O ZINC000595291997 532553944 /nfs/dbraw/zinc/55/39/44/532553944.db2.gz NVHWDKIEVAYPOS-AWEZNQCLSA-N 1 2 399.285 2.054 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000248659887 532554694 /nfs/dbraw/zinc/55/46/94/532554694.db2.gz VLJPIVAYCGQKTD-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000248659887 532554701 /nfs/dbraw/zinc/55/47/01/532554701.db2.gz VLJPIVAYCGQKTD-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000248650997 532555839 /nfs/dbraw/zinc/55/58/39/532555839.db2.gz APARRUXLYKBKMM-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000248650997 532555841 /nfs/dbraw/zinc/55/58/41/532555841.db2.gz APARRUXLYKBKMM-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO CC(C)OC[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000433171612 532557054 /nfs/dbraw/zinc/55/70/54/532557054.db2.gz FDPXHEPMTXLVNK-GFCCVEGCSA-N 1 2 377.254 2.244 20 0 GEADLO CC(C)OC[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000433171612 532557058 /nfs/dbraw/zinc/55/70/58/532557058.db2.gz FDPXHEPMTXLVNK-GFCCVEGCSA-N 1 2 377.254 2.244 20 0 GEADLO C[N@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)[C@H]1CCNC1=O ZINC000248889758 532557434 /nfs/dbraw/zinc/55/74/34/532557434.db2.gz FOFNVCWUWMACNO-HIFRSBDPSA-N 1 2 383.286 2.327 20 0 GEADLO C[N@@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)[C@H]1CCNC1=O ZINC000248889758 532557436 /nfs/dbraw/zinc/55/74/36/532557436.db2.gz FOFNVCWUWMACNO-HIFRSBDPSA-N 1 2 383.286 2.327 20 0 GEADLO C[C@@H](CNS(=O)(=O)CCC(C)(F)F)[NH+]1CCN(c2ccccc2)CC1 ZINC000631743390 532558058 /nfs/dbraw/zinc/55/80/58/532558058.db2.gz TXLPLRREGPLAIL-HNNXBMFYSA-N 1 2 375.485 2.162 20 0 GEADLO O=C1C[C@H]([N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C(=O)N1CC(F)(F)F ZINC000248992472 532559032 /nfs/dbraw/zinc/55/90/32/532559032.db2.gz NVZFTGJNBJNCQA-OLZOCXBDSA-N 1 2 376.762 2.483 20 0 GEADLO O=C1C[C@H]([N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C(=O)N1CC(F)(F)F ZINC000248992472 532559038 /nfs/dbraw/zinc/55/90/38/532559038.db2.gz NVZFTGJNBJNCQA-OLZOCXBDSA-N 1 2 376.762 2.483 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(Cl)cc1F ZINC000249052316 532559538 /nfs/dbraw/zinc/55/95/38/532559538.db2.gz BLNFIISESOVPMO-LBPRGKRZSA-N 1 2 378.897 2.253 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c(Cl)cc1F ZINC000249052316 532559542 /nfs/dbraw/zinc/55/95/42/532559542.db2.gz BLNFIISESOVPMO-LBPRGKRZSA-N 1 2 378.897 2.253 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[S@](=O)C1 ZINC000433244574 532560039 /nfs/dbraw/zinc/56/00/39/532560039.db2.gz GCWSGRNDDKSSAD-HDSUKNQSSA-N 1 2 394.306 2.028 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[S@](=O)C1 ZINC000433244574 532560043 /nfs/dbraw/zinc/56/00/43/532560043.db2.gz GCWSGRNDDKSSAD-HDSUKNQSSA-N 1 2 394.306 2.028 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCCSC(F)(F)F)c1C ZINC000283853480 532561700 /nfs/dbraw/zinc/56/17/00/532561700.db2.gz BHYSSSITIDUJOT-UHFFFAOYSA-N 1 2 379.404 2.035 20 0 GEADLO O=c1[nH]cc(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)s1 ZINC000631774846 532562096 /nfs/dbraw/zinc/56/20/96/532562096.db2.gz HCTHPXAZLWGNPO-UHFFFAOYSA-N 1 2 389.449 2.070 20 0 GEADLO O=C(Cc1csc(CCC(F)(F)F)n1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000631773570 532562228 /nfs/dbraw/zinc/56/22/28/532562228.db2.gz NCDCENXEOYTWED-CYBMUJFWSA-N 1 2 377.432 2.114 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C)c2[nH+]ccn2C)c1F ZINC000595384565 532562643 /nfs/dbraw/zinc/56/26/43/532562643.db2.gz XXFSUQYRROTXMN-MRVPVSSYSA-N 1 2 375.809 2.039 20 0 GEADLO COc1ccc(S(=O)(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1Cl ZINC000433349244 532562853 /nfs/dbraw/zinc/56/28/53/532562853.db2.gz BKOUNTLOPLGQFK-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO COc1ccc(S(=O)(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1Cl ZINC000433349244 532562860 /nfs/dbraw/zinc/56/28/60/532562860.db2.gz BKOUNTLOPLGQFK-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000472093989 532564157 /nfs/dbraw/zinc/56/41/57/532564157.db2.gz CROQAWRQDMDPNY-GASCZTMLSA-N 1 2 388.555 2.021 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000472093989 532564161 /nfs/dbraw/zinc/56/41/61/532564161.db2.gz CROQAWRQDMDPNY-GASCZTMLSA-N 1 2 388.555 2.021 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)N(C)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000249402468 532564913 /nfs/dbraw/zinc/56/49/13/532564913.db2.gz WJXUBBWQXSKPKK-XJKSGUPXSA-N 1 2 385.302 2.316 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)N(C)CC[N@H+]1CCO[C@@H](C)C1 ZINC000249402468 532564916 /nfs/dbraw/zinc/56/49/16/532564916.db2.gz WJXUBBWQXSKPKK-XJKSGUPXSA-N 1 2 385.302 2.316 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000433360888 532565237 /nfs/dbraw/zinc/56/52/37/532565237.db2.gz GOEAZVSUMFYHNN-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000433360888 532565242 /nfs/dbraw/zinc/56/52/42/532565242.db2.gz GOEAZVSUMFYHNN-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000433364442 532566235 /nfs/dbraw/zinc/56/62/35/532566235.db2.gz UIINJBIJZSSBAB-LBPRGKRZSA-N 1 2 381.325 2.476 20 0 GEADLO C[C@@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1nc(-c2ccccc2)cs1 ZINC000631918417 532566774 /nfs/dbraw/zinc/56/67/74/532566774.db2.gz BWTBGRJIPXJGNJ-UKRRQHHQSA-N 1 2 381.523 2.121 20 0 GEADLO C[C@@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1nc(-c2ccccc2)cs1 ZINC000631918417 532566779 /nfs/dbraw/zinc/56/67/79/532566779.db2.gz BWTBGRJIPXJGNJ-UKRRQHHQSA-N 1 2 381.523 2.121 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccsc2C(F)(F)F)CC1 ZINC000528509944 532568833 /nfs/dbraw/zinc/56/88/33/532568833.db2.gz SKAPCODCYAPHNC-UHFFFAOYSA-N 1 2 384.445 2.006 20 0 GEADLO CCN1CCN(C(=O)c2cc(Br)c(C)[nH]c2=O)C[C@H]1c1[nH]cc[nH+]1 ZINC000433477969 532570236 /nfs/dbraw/zinc/57/02/36/532570236.db2.gz PPXPSULLNPSRJU-ZDUSSCGKSA-N 1 2 394.273 2.100 20 0 GEADLO CCc1ncc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)s1 ZINC000528502979 532568977 /nfs/dbraw/zinc/56/89/77/532568977.db2.gz SAYOLAHVGYMBBO-CQSZACIVSA-N 1 2 381.523 2.267 20 0 GEADLO CCc1ncc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)s1 ZINC000528502979 532568982 /nfs/dbraw/zinc/56/89/82/532568982.db2.gz SAYOLAHVGYMBBO-CQSZACIVSA-N 1 2 381.523 2.267 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H]2CNS(=O)(=O)c2nc(C)c(C)s2)cc1 ZINC000528499675 532569308 /nfs/dbraw/zinc/56/93/08/532569308.db2.gz AOLNMDJQMUNIDO-OAHLLOKOSA-N 1 2 381.523 2.321 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H]2CNS(=O)(=O)c2nc(C)c(C)s2)cc1 ZINC000528499675 532569313 /nfs/dbraw/zinc/56/93/13/532569313.db2.gz AOLNMDJQMUNIDO-OAHLLOKOSA-N 1 2 381.523 2.321 20 0 GEADLO C[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@H](O)C(F)(F)F ZINC000631237503 532549198 /nfs/dbraw/zinc/54/91/98/532549198.db2.gz VOELMEYVZGBJLG-UFBFGSQYSA-N 1 2 379.180 2.431 20 0 GEADLO COc1cc(C[NH+]2CC(CC(N)=O)C2)cc(Br)c1OC(F)F ZINC000297335144 532582709 /nfs/dbraw/zinc/58/27/09/532582709.db2.gz FGVLBKZFNLAQHE-UHFFFAOYSA-N 1 2 379.201 2.366 20 0 GEADLO O=C(c1ccsc1C(F)(F)F)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000528830509 532584070 /nfs/dbraw/zinc/58/40/70/532584070.db2.gz KFRJRQCEQXHHJA-LBPRGKRZSA-N 1 2 378.416 2.330 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC[N@@H+]1CCOC ZINC000632164052 532585019 /nfs/dbraw/zinc/58/50/19/532585019.db2.gz HCLJGNGHXVECMK-CYBMUJFWSA-N 1 2 391.921 2.327 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC[N@H+]1CCOC ZINC000632164052 532585020 /nfs/dbraw/zinc/58/50/20/532585020.db2.gz HCLJGNGHXVECMK-CYBMUJFWSA-N 1 2 391.921 2.327 20 0 GEADLO O=S(=O)(Cc1ncsc1Br)NCCCCn1cc[nH+]c1 ZINC000632180888 532586420 /nfs/dbraw/zinc/58/64/20/532586420.db2.gz OTDPOTIJAIWVSH-UHFFFAOYSA-N 1 2 379.305 2.002 20 0 GEADLO COC(=O)c1cn([C@H]2CCCN(c3nc(C)[nH+]c(C)c3Br)C2)nn1 ZINC000596197217 532589430 /nfs/dbraw/zinc/58/94/30/532589430.db2.gz LPSKYTIMFRSIBM-NSHDSACASA-N 1 2 395.261 2.076 20 0 GEADLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@]2(CCCOC2)O1 ZINC000376016719 532591543 /nfs/dbraw/zinc/59/15/43/532591543.db2.gz YLOARANYXXRCHW-WMLDXEAASA-N 1 2 398.301 2.443 20 0 GEADLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@]2(CCCOC2)O1 ZINC000376016719 532591551 /nfs/dbraw/zinc/59/15/51/532591551.db2.gz YLOARANYXXRCHW-WMLDXEAASA-N 1 2 398.301 2.443 20 0 GEADLO CN1C[C@@H]2C[N@H+](CC3=Cc4cc(Br)ccc4OC3)CCN2C1=O ZINC000376056852 532594637 /nfs/dbraw/zinc/59/46/37/532594637.db2.gz WZISEQJKEXMGMV-OAHLLOKOSA-N 1 2 378.270 2.277 20 0 GEADLO CN1C[C@@H]2C[N@@H+](CC3=Cc4cc(Br)ccc4OC3)CCN2C1=O ZINC000376056852 532594641 /nfs/dbraw/zinc/59/46/41/532594641.db2.gz WZISEQJKEXMGMV-OAHLLOKOSA-N 1 2 378.270 2.277 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)NCCNc2cccc[nH+]2)c1 ZINC000472314604 532571297 /nfs/dbraw/zinc/57/12/97/532571297.db2.gz RDMSMBHGBJOGSS-UHFFFAOYSA-N 1 2 386.271 2.243 20 0 GEADLO O=C(NCCn1cc[nH+]c1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000433512328 532572111 /nfs/dbraw/zinc/57/21/11/532572111.db2.gz VUTPUJHDNUMSKZ-UHFFFAOYSA-N 1 2 393.270 2.986 20 0 GEADLO CO[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1Br ZINC000654838489 532572147 /nfs/dbraw/zinc/57/21/47/532572147.db2.gz REZZZDMRCLIKTE-YOEHRIQHSA-N 1 2 397.313 2.460 20 0 GEADLO Cc1nc(S(=O)(=O)Oc2ccc3c(c2)[nH+]c(C)n3C)c(Br)n1C ZINC000297201662 532573637 /nfs/dbraw/zinc/57/36/37/532573637.db2.gz UXKPZZNLBSCBOB-UHFFFAOYSA-N 1 2 399.270 2.454 20 0 GEADLO C[C@@]12COC[C@@H]1C[N@H+](CC(=O)Nc1ccccc1I)C2 ZINC000595759429 532573736 /nfs/dbraw/zinc/57/37/36/532573736.db2.gz PYZDPWGVSDPYNZ-XHDPSFHLSA-N 1 2 386.233 2.198 20 0 GEADLO C[C@@]12COC[C@@H]1C[N@@H+](CC(=O)Nc1ccccc1I)C2 ZINC000595759429 532573741 /nfs/dbraw/zinc/57/37/41/532573741.db2.gz PYZDPWGVSDPYNZ-XHDPSFHLSA-N 1 2 386.233 2.198 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000595815581 532575373 /nfs/dbraw/zinc/57/53/73/532575373.db2.gz GVSYSVPRIRMDKX-SJCJKPOMSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000595815581 532575375 /nfs/dbraw/zinc/57/53/75/532575375.db2.gz GVSYSVPRIRMDKX-SJCJKPOMSA-N 1 2 392.279 2.387 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000375689669 532575665 /nfs/dbraw/zinc/57/56/65/532575665.db2.gz NOLCBYXVVLKJNF-UHFFFAOYSA-N 1 2 388.287 2.104 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261651374 532575692 /nfs/dbraw/zinc/57/56/92/532575692.db2.gz FENJOBFEBRQMCA-UHFFFAOYSA-N 1 2 390.285 2.164 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000375712086 532577564 /nfs/dbraw/zinc/57/75/64/532577564.db2.gz VKMLUAWXLADIOB-CABCVRRESA-N 1 2 386.880 2.245 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000375712086 532577573 /nfs/dbraw/zinc/57/75/73/532577573.db2.gz VKMLUAWXLADIOB-CABCVRRESA-N 1 2 386.880 2.245 20 0 GEADLO Nc1[nH+]cnc(NC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)c1Cl ZINC000433767528 532577742 /nfs/dbraw/zinc/57/77/42/532577742.db2.gz WTWKGGCRKDBITR-SNVBAGLBSA-N 1 2 376.766 2.874 20 0 GEADLO Nc1nc[nH+]c(NC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)c1Cl ZINC000433767528 532577748 /nfs/dbraw/zinc/57/77/48/532577748.db2.gz WTWKGGCRKDBITR-SNVBAGLBSA-N 1 2 376.766 2.874 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000284162265 532579667 /nfs/dbraw/zinc/57/96/67/532579667.db2.gz ZOKIDWDRIQUNES-NEPJUHHUSA-N 1 2 379.258 2.028 20 0 GEADLO NC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)cs2)cc1 ZINC000528785125 532581283 /nfs/dbraw/zinc/58/12/83/532581283.db2.gz RUNCSRACDPAKTB-TWKFVSLJSA-N 1 2 375.519 2.394 20 0 GEADLO NC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)cs2)cc1 ZINC000528785125 532581288 /nfs/dbraw/zinc/58/12/88/532581288.db2.gz RUNCSRACDPAKTB-TWKFVSLJSA-N 1 2 375.519 2.394 20 0 GEADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000262015076 532581346 /nfs/dbraw/zinc/58/13/46/532581346.db2.gz MRODBRZBLUDIPY-GFCCVEGCSA-N 1 2 375.281 2.062 20 0 GEADLO CC1(C)COC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000565876465 532581356 /nfs/dbraw/zinc/58/13/56/532581356.db2.gz FTRFXYNKARUBQD-CYBMUJFWSA-N 1 2 399.289 2.227 20 0 GEADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000566502027 532613696 /nfs/dbraw/zinc/61/36/96/532613696.db2.gz NDESZJBZDBNGSK-HNNXBMFYSA-N 1 2 391.269 2.494 20 0 GEADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000566502027 532613702 /nfs/dbraw/zinc/61/37/02/532613702.db2.gz NDESZJBZDBNGSK-HNNXBMFYSA-N 1 2 391.269 2.494 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)CCc1ccc(Cl)cc1 ZINC000632501563 532615585 /nfs/dbraw/zinc/61/55/85/532615585.db2.gz DBKHTZRCYPKEDT-DLBZAZTESA-N 1 2 386.945 2.301 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632500938 532615966 /nfs/dbraw/zinc/61/59/66/532615966.db2.gz GNINLQHNLMMPGV-HOTGVXAUSA-N 1 2 390.908 2.398 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000632500805 532616225 /nfs/dbraw/zinc/61/62/25/532616225.db2.gz DHFSMXNVOVCMOT-HZPDHXFCSA-N 1 2 388.917 2.126 20 0 GEADLO O=C(Nc1cc(I)ccc1O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597442713 532616885 /nfs/dbraw/zinc/61/68/85/532616885.db2.gz YFVKGKURYAXGPX-QMMMGPOBSA-N 1 2 383.189 2.464 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)Cc2cc(F)ccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000632503084 532616942 /nfs/dbraw/zinc/61/69/42/532616942.db2.gz VADCFMARVOPTFL-HOTGVXAUSA-N 1 2 390.908 2.398 20 0 GEADLO O=C(Nc1cc(I)ccc1O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597442713 532616893 /nfs/dbraw/zinc/61/68/93/532616893.db2.gz YFVKGKURYAXGPX-QMMMGPOBSA-N 1 2 383.189 2.464 20 0 GEADLO COc1cc(S(=O)(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)ccc1Cl ZINC000632502302 532617060 /nfs/dbraw/zinc/61/70/60/532617060.db2.gz MHCYTVQFUVNUMR-HOTGVXAUSA-N 1 2 388.917 2.126 20 0 GEADLO CCCCN(CCCC)S(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000632502924 532617211 /nfs/dbraw/zinc/61/72/11/532617211.db2.gz ZNKXCCDJPNESRF-IAGOWNOFSA-N 1 2 375.579 2.222 20 0 GEADLO C[NH+]1CCN(C(=O)CSc2n[nH]c(-c3ccccc3Br)n2)CC1 ZINC000656399410 532619592 /nfs/dbraw/zinc/61/95/92/532619592.db2.gz KITANPWQHCYJCX-UHFFFAOYSA-N 1 2 396.314 2.100 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)CCO1 ZINC000530421848 532619953 /nfs/dbraw/zinc/61/99/53/532619953.db2.gz LPWHNCMQDZHGQH-LLVKDONJSA-N 1 2 384.267 2.025 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)CCO1 ZINC000530421848 532619957 /nfs/dbraw/zinc/61/99/57/532619957.db2.gz LPWHNCMQDZHGQH-LLVKDONJSA-N 1 2 384.267 2.025 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000376612221 532620116 /nfs/dbraw/zinc/62/01/16/532620116.db2.gz LIVYGGOFAGINDT-DGCLKSJQSA-N 1 2 379.511 2.015 20 0 GEADLO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000434700709 532600743 /nfs/dbraw/zinc/60/07/43/532600743.db2.gz WEOPAUSTGCXMDD-IUODEOHRSA-N 1 2 379.507 2.419 20 0 GEADLO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000473827466 532600955 /nfs/dbraw/zinc/60/09/55/532600955.db2.gz UTZCAQHOYDWQEZ-GFCCVEGCSA-N 1 2 381.527 2.229 20 0 GEADLO COCC[N@H+]1CCC[C@@H]1CNC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000473827466 532600961 /nfs/dbraw/zinc/60/09/61/532600961.db2.gz UTZCAQHOYDWQEZ-GFCCVEGCSA-N 1 2 381.527 2.229 20 0 GEADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000376196349 532601858 /nfs/dbraw/zinc/60/18/58/532601858.db2.gz BUHXBXSIRYAIBI-STQMWFEESA-N 1 2 392.327 2.334 20 0 GEADLO CCn1cnc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1 ZINC000474026917 532604691 /nfs/dbraw/zinc/60/46/91/532604691.db2.gz AJUKONWDOSYSCV-HNNXBMFYSA-N 1 2 379.873 2.358 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC[NH2+]1 ZINC000262893723 532604821 /nfs/dbraw/zinc/60/48/21/532604821.db2.gz OUDIMRWUFRPJSE-OCCSQVGLSA-N 1 2 379.507 2.419 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000297724954 532606025 /nfs/dbraw/zinc/60/60/25/532606025.db2.gz FDSYRODTKIPXBQ-UHFFFAOYSA-N 1 2 399.314 2.214 20 0 GEADLO O=C([C@H]1CCC[N@@H+](Cc2ncc(Br)cc2F)C1)N1CCOCC1 ZINC000529519798 532606132 /nfs/dbraw/zinc/60/61/32/532606132.db2.gz HCKMYHPIVBJCEB-LBPRGKRZSA-N 1 2 386.265 2.054 20 0 GEADLO O=C([C@H]1CCC[N@H+](Cc2ncc(Br)cc2F)C1)N1CCOCC1 ZINC000529519798 532606135 /nfs/dbraw/zinc/60/61/35/532606135.db2.gz HCKMYHPIVBJCEB-LBPRGKRZSA-N 1 2 386.265 2.054 20 0 GEADLO CC(C)NC(=O)C[NH+]1CCN(Cc2ncc(Cl)cc2Br)CC1 ZINC000529521831 532607196 /nfs/dbraw/zinc/60/71/96/532607196.db2.gz XIVRBGKGFBHMPL-UHFFFAOYSA-N 1 2 389.725 2.140 20 0 GEADLO Cc1c(Br)cccc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000474139944 532607640 /nfs/dbraw/zinc/60/76/40/532607640.db2.gz XSXOCPVXZKQGAM-UHFFFAOYSA-N 1 2 379.345 2.085 20 0 GEADLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2cnn(CC(F)F)c2)n1 ZINC000656185098 532609188 /nfs/dbraw/zinc/60/91/88/532609188.db2.gz MJOVBMHJGDQKHU-UHFFFAOYSA-N 1 2 379.458 2.247 20 0 GEADLO Cc1cc(NC(=O)c2nn(C)cc2Br)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000297886998 532610125 /nfs/dbraw/zinc/61/01/25/532610125.db2.gz XPRGLEIZQZOSCY-UHFFFAOYSA-N 1 2 390.245 2.336 20 0 GEADLO COC(=O)c1oc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1C ZINC000597117856 532612074 /nfs/dbraw/zinc/61/20/74/532612074.db2.gz SGYNEQJRNTVITK-CYBMUJFWSA-N 1 2 381.226 2.453 20 0 GEADLO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000297927329 532612214 /nfs/dbraw/zinc/61/22/14/532612214.db2.gz QPOMXXDGDBGAFA-UHFFFAOYSA-N 1 2 391.269 2.037 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000435248797 532612260 /nfs/dbraw/zinc/61/22/60/532612260.db2.gz QBCZJWYWIQLJHR-LLVKDONJSA-N 1 2 388.295 2.419 20 0 GEADLO C[N@@H+](Cc1c(F)ccc(I)c1F)C[C@H]1COCCO1 ZINC000597206275 532613323 /nfs/dbraw/zinc/61/33/23/532613323.db2.gz NVFGCQRHRBUFFZ-VIFPVBQESA-N 1 2 383.176 2.417 20 0 GEADLO C[N@H+](Cc1c(F)ccc(I)c1F)C[C@H]1COCCO1 ZINC000597206275 532613327 /nfs/dbraw/zinc/61/33/27/532613327.db2.gz NVFGCQRHRBUFFZ-VIFPVBQESA-N 1 2 383.176 2.417 20 0 GEADLO C[C@@H](CCS(C)(=O)=O)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000474344158 532613513 /nfs/dbraw/zinc/61/35/13/532613513.db2.gz GWZVGSYZGGFZQB-STQMWFEESA-N 1 2 388.559 2.320 20 0 GEADLO C[C@@H](CCS(C)(=O)=O)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000474344158 532613514 /nfs/dbraw/zinc/61/35/14/532613514.db2.gz GWZVGSYZGGFZQB-STQMWFEESA-N 1 2 388.559 2.320 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000376661734 532622685 /nfs/dbraw/zinc/62/26/85/532622685.db2.gz UGUOYNYERQMPEK-UHFFFAOYSA-N 1 2 379.511 2.040 20 0 GEADLO Cc1cnc([C@H]2CCC[N@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)C2)s1 ZINC000376669606 532625045 /nfs/dbraw/zinc/62/50/45/532625045.db2.gz CQMOUGXDPDOEFH-AWEZNQCLSA-N 1 2 388.555 2.387 20 0 GEADLO Cc1cnc([C@H]2CCC[N@@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)C2)s1 ZINC000376669606 532625050 /nfs/dbraw/zinc/62/50/50/532625050.db2.gz CQMOUGXDPDOEFH-AWEZNQCLSA-N 1 2 388.555 2.387 20 0 GEADLO C[N@@H+]1CC[C@@H](CNC(=O)CSc2n[nH]c(=O)[nH]2)[C@H]1c1cccc(Cl)c1 ZINC000376670849 532625098 /nfs/dbraw/zinc/62/50/98/532625098.db2.gz HZWRQRXEMFQGFJ-SMDDNHRTSA-N 1 2 381.889 2.065 20 0 GEADLO C[N@H+]1CC[C@@H](CNC(=O)CSc2n[nH]c(=O)[nH]2)[C@H]1c1cccc(Cl)c1 ZINC000376670849 532625107 /nfs/dbraw/zinc/62/51/07/532625107.db2.gz HZWRQRXEMFQGFJ-SMDDNHRTSA-N 1 2 381.889 2.065 20 0 GEADLO NS(=O)(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000376725672 532625990 /nfs/dbraw/zinc/62/59/90/532625990.db2.gz GWNFBDDQWKWBFK-UHFFFAOYSA-N 1 2 399.822 2.050 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)S(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000566741108 532626736 /nfs/dbraw/zinc/62/67/36/532626736.db2.gz RJRCPHUHTINXAX-UHFFFAOYSA-N 1 2 379.873 2.161 20 0 GEADLO Cn1ccc(S(=O)(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)n1 ZINC000656738728 532629775 /nfs/dbraw/zinc/62/97/75/532629775.db2.gz MBNGMXVAPGSCAU-UHFFFAOYSA-N 1 2 377.495 2.425 20 0 GEADLO Cn1ccc(S(=O)(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)n1 ZINC000656738728 532629780 /nfs/dbraw/zinc/62/97/80/532629780.db2.gz MBNGMXVAPGSCAU-UHFFFAOYSA-N 1 2 377.495 2.425 20 0 GEADLO O=C(Nc1c[nH]cc(Br)c1=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000376798838 532629902 /nfs/dbraw/zinc/62/99/02/532629902.db2.gz KOHNHXYFHVKPHU-CQSZACIVSA-N 1 2 377.242 2.136 20 0 GEADLO O=C(Nc1c[nH]cc(Br)c1=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000376798838 532629905 /nfs/dbraw/zinc/62/99/05/532629905.db2.gz KOHNHXYFHVKPHU-CQSZACIVSA-N 1 2 377.242 2.136 20 0 GEADLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)Cc2ccc(Cl)nc2)C[C@H](C)O1 ZINC000263656564 532632007 /nfs/dbraw/zinc/63/20/07/532632007.db2.gz COLBBFITFVNFIT-STQMWFEESA-N 1 2 375.922 2.042 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656875737 532635669 /nfs/dbraw/zinc/63/56/69/532635669.db2.gz BTADAXGPGSNTPC-SNVBAGLBSA-N 1 2 376.251 2.293 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000284999575 532637036 /nfs/dbraw/zinc/63/70/36/532637036.db2.gz NDBPUBOWKUJTSX-UHFFFAOYSA-N 1 2 391.269 2.211 20 0 GEADLO CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@]2([NH+](C)C)CCCSC2)cc1 ZINC000377029537 532637395 /nfs/dbraw/zinc/63/73/95/532637395.db2.gz JAHYKULMESISTI-KDOFPFPSSA-N 1 2 384.567 2.485 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)N(C)Cc1[nH+]ccn1C ZINC000284988926 532637735 /nfs/dbraw/zinc/63/77/35/532637735.db2.gz MOJUKXOANXITSJ-UHFFFAOYSA-N 1 2 380.242 2.423 20 0 GEADLO O=C(NCCn1cc[nH+]c1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000436507785 532637774 /nfs/dbraw/zinc/63/77/74/532637774.db2.gz AVUWAOZGJGBHFJ-UHFFFAOYSA-N 1 2 391.229 2.195 20 0 GEADLO CCN1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC1=O ZINC000475133576 532638868 /nfs/dbraw/zinc/63/88/68/532638868.db2.gz KBFFGTRXNGBWMR-UHFFFAOYSA-N 1 2 396.329 2.340 20 0 GEADLO CCN1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)CC1=O ZINC000475133576 532638879 /nfs/dbraw/zinc/63/88/79/532638879.db2.gz KBFFGTRXNGBWMR-UHFFFAOYSA-N 1 2 396.329 2.340 20 0 GEADLO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)C2 ZINC000632687806 532639144 /nfs/dbraw/zinc/63/91/44/532639144.db2.gz XKCYSIUKGMBCRM-UHFFFAOYSA-N 1 2 391.269 2.024 20 0 GEADLO O=S(=O)(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000531911622 532640385 /nfs/dbraw/zinc/64/03/85/532640385.db2.gz VZVBKGIALSLYOG-GJZGRUSLSA-N 1 2 376.881 2.401 20 0 GEADLO CS(=O)(=O)N1CCCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000263787647 532640967 /nfs/dbraw/zinc/64/09/67/532640967.db2.gz JGNGRXRFEAYSTJ-UHFFFAOYSA-N 1 2 384.299 2.469 20 0 GEADLO O=C(NC[C@H](O)C(F)F)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000475209052 532641075 /nfs/dbraw/zinc/64/10/75/532641075.db2.gz COGLCQWLWMAHDB-QWHCGFSZSA-N 1 2 377.229 2.328 20 0 GEADLO O=S(=O)(NCc1cn2c([nH+]1)CCCC2)c1cc2c(cc1Cl)OCCO2 ZINC000263802744 532641633 /nfs/dbraw/zinc/64/16/33/532641633.db2.gz QXLDIPSWUBPHJC-UHFFFAOYSA-N 1 2 383.857 2.123 20 0 GEADLO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc(Br)c2O)CC1 ZINC000532090214 532644979 /nfs/dbraw/zinc/64/49/79/532644979.db2.gz IYIVYAUIIPKQSJ-ZDUSSCGKSA-N 1 2 384.318 2.158 20 0 GEADLO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cccc(Br)c2O)CC1 ZINC000532090214 532644986 /nfs/dbraw/zinc/64/49/86/532644986.db2.gz IYIVYAUIIPKQSJ-ZDUSSCGKSA-N 1 2 384.318 2.158 20 0 GEADLO C[C@@H](CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)[NH+](C)C ZINC000298382535 532645779 /nfs/dbraw/zinc/64/57/79/532645779.db2.gz CCMXEAMXNLNJQP-ZDUSSCGKSA-N 1 2 381.523 2.158 20 0 GEADLO Cc1nnc([C@H](C)NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000633166379 532660456 /nfs/dbraw/zinc/66/04/56/532660456.db2.gz WTHXTHXDURNCTB-NSHDSACASA-N 1 2 378.527 2.355 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1C1CC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000377547493 532660974 /nfs/dbraw/zinc/66/09/74/532660974.db2.gz YQBKJORBYBPNFU-DOTOQJQBSA-N 1 2 382.551 2.138 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1C1CC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000377547493 532660983 /nfs/dbraw/zinc/66/09/83/532660983.db2.gz YQBKJORBYBPNFU-DOTOQJQBSA-N 1 2 382.551 2.138 20 0 GEADLO Cc1nc(NC[C@H](C)c2nccs2)nc(NC[C@H](C)c2nccs2)[nH+]1 ZINC000480362277 532663633 /nfs/dbraw/zinc/66/36/33/532663633.db2.gz YQPNNAVQCFPPFY-QWRGUYRKSA-N 1 2 375.527 2.368 20 0 GEADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(N)=O ZINC000298716330 532669400 /nfs/dbraw/zinc/66/94/00/532669400.db2.gz YNLHODHHABCUHU-SECBINFHSA-N 1 2 375.256 2.227 20 0 GEADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(N)=O ZINC000298716330 532669401 /nfs/dbraw/zinc/66/94/01/532669401.db2.gz YNLHODHHABCUHU-SECBINFHSA-N 1 2 375.256 2.227 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(I)cc2)C1 ZINC000599566991 532666969 /nfs/dbraw/zinc/66/69/69/532666969.db2.gz UPIVYBQISJVXSU-CQSZACIVSA-N 1 2 375.206 2.055 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000599566991 532666976 /nfs/dbraw/zinc/66/69/76/532666976.db2.gz UPIVYBQISJVXSU-CQSZACIVSA-N 1 2 375.206 2.055 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660013281 532669508 /nfs/dbraw/zinc/66/95/08/532669508.db2.gz IHCKTYOHBBCSTF-AWEZNQCLSA-N 1 2 388.917 2.222 20 0 GEADLO COC(=O)[C@]1(NCCn2cc[nH+]c2)CCc2cc(Br)ccc2C1 ZINC000599593659 532667514 /nfs/dbraw/zinc/66/75/14/532667514.db2.gz GUNGKNARKCSZCW-KRWDZBQOSA-N 1 2 378.270 2.336 20 0 GEADLO COC(=O)CCC[NH2+][C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000599593912 532667608 /nfs/dbraw/zinc/66/76/08/532667608.db2.gz GWLFOEOSFKBCEM-KRWDZBQOSA-N 1 2 384.270 2.392 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1Cl ZINC000285304957 532668647 /nfs/dbraw/zinc/66/86/47/532668647.db2.gz QMYIJSYATJTBTP-LSDHHAIUSA-N 1 2 386.279 2.172 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1Cl ZINC000285304957 532668654 /nfs/dbraw/zinc/66/86/54/532668654.db2.gz QMYIJSYATJTBTP-LSDHHAIUSA-N 1 2 386.279 2.172 20 0 GEADLO C[N@@H+]1CCN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1c1ccccc1Cl ZINC000377193852 532646860 /nfs/dbraw/zinc/64/68/60/532646860.db2.gz BNWACEYSXXFSBG-ZDUSSCGKSA-N 1 2 377.794 2.224 20 0 GEADLO C[N@H+]1CCN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1c1ccccc1Cl ZINC000377193852 532646862 /nfs/dbraw/zinc/64/68/62/532646862.db2.gz BNWACEYSXXFSBG-ZDUSSCGKSA-N 1 2 377.794 2.224 20 0 GEADLO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436987374 532648200 /nfs/dbraw/zinc/64/82/00/532648200.db2.gz HTFQBPFWVBTKDW-NSHDSACASA-N 1 2 388.281 2.050 20 0 GEADLO CC1(C)C[NH+](CC(=O)Nc2nc3cc(I)ccc3[nH]2)C1 ZINC000598427649 532648976 /nfs/dbraw/zinc/64/89/76/532648976.db2.gz IHLHSGGINPGOJC-UHFFFAOYSA-N 1 2 384.221 2.448 20 0 GEADLO CC1(C)C[NH+](CC(=O)Nc2nc3ccc(I)cc3[nH]2)C1 ZINC000598427649 532648979 /nfs/dbraw/zinc/64/89/79/532648979.db2.gz IHLHSGGINPGOJC-UHFFFAOYSA-N 1 2 384.221 2.448 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000534093317 532668825 /nfs/dbraw/zinc/66/88/25/532668825.db2.gz JMQTYZUXAHAPMF-CABZTGNLSA-N 1 2 386.235 2.384 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000534093317 532668828 /nfs/dbraw/zinc/66/88/28/532668828.db2.gz JMQTYZUXAHAPMF-CABZTGNLSA-N 1 2 386.235 2.384 20 0 GEADLO COCCc1noc(C[S@](=O)Cc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000437172755 532651228 /nfs/dbraw/zinc/65/12/28/532651228.db2.gz SRQDYXKEAUXBQH-HSZRJFAPSA-N 1 2 399.270 2.118 20 0 GEADLO CCNC(=O)c1cccc(CNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000263955859 532652770 /nfs/dbraw/zinc/65/27/70/532652770.db2.gz LZFRRFPSRMQJIZ-UHFFFAOYSA-N 1 2 389.257 2.488 20 0 GEADLO COC(=O)C1([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CCCC1 ZINC000532741167 532654356 /nfs/dbraw/zinc/65/43/56/532654356.db2.gz WJIGDTYMXUUIHT-UHFFFAOYSA-N 1 2 394.269 2.375 20 0 GEADLO COC(=O)C1([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CCCC1 ZINC000532741167 532654364 /nfs/dbraw/zinc/65/43/64/532654364.db2.gz WJIGDTYMXUUIHT-UHFFFAOYSA-N 1 2 394.269 2.375 20 0 GEADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000567490297 532655473 /nfs/dbraw/zinc/65/54/73/532655473.db2.gz GHNQSHGRGFIPHH-GDBMZVCRSA-N 1 2 384.567 2.341 20 0 GEADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000567490297 532655480 /nfs/dbraw/zinc/65/54/80/532655480.db2.gz GHNQSHGRGFIPHH-GDBMZVCRSA-N 1 2 384.567 2.341 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CCC[N@@H+](CCO)CC1 ZINC000285175418 532656128 /nfs/dbraw/zinc/65/61/28/532656128.db2.gz MOSYZSGSJNSRHT-UHFFFAOYSA-N 1 2 386.823 2.048 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CCC[N@H+](CCO)CC1 ZINC000285175418 532656130 /nfs/dbraw/zinc/65/61/30/532656130.db2.gz MOSYZSGSJNSRHT-UHFFFAOYSA-N 1 2 386.823 2.048 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@H](O)[C@H]3C)[nH+]c12 ZINC000298524993 532656680 /nfs/dbraw/zinc/65/66/80/532656680.db2.gz XGICBPZCVZXZHH-BXUZGUMPSA-N 1 2 381.274 2.460 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633024141 532657877 /nfs/dbraw/zinc/65/78/77/532657877.db2.gz KJYNXJXUMTYBTB-JSGCOSHPSA-N 1 2 393.285 2.032 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000264057092 532658469 /nfs/dbraw/zinc/65/84/69/532658469.db2.gz AMVWUOQVFZFJMW-UHFFFAOYSA-N 1 2 385.237 2.026 20 0 GEADLO O=S(=O)(c1ccc(F)c(Br)c1)N1CC[NH+](C2CCC2)CC1 ZINC000439222277 532684826 /nfs/dbraw/zinc/68/48/26/532684826.db2.gz JDWOJFIAYBZDLD-UHFFFAOYSA-N 1 2 377.279 2.447 20 0 GEADLO Cc1nnc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)o1 ZINC000298940768 532686424 /nfs/dbraw/zinc/68/64/24/532686424.db2.gz CWAXHTNCGCXDQE-UHFFFAOYSA-N 1 2 380.246 2.386 20 0 GEADLO O=C(Cc1ccc(Br)cc1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000264298676 532669574 /nfs/dbraw/zinc/66/95/74/532669574.db2.gz LKFHTKLQPXYGFF-UHFFFAOYSA-N 1 2 393.285 2.159 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000660013282 532669730 /nfs/dbraw/zinc/66/97/30/532669730.db2.gz IHCKTYOHBBCSTF-CQSZACIVSA-N 1 2 388.917 2.222 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)N1CCCC1)c1ccc(Br)cc1 ZINC000660013070 532669912 /nfs/dbraw/zinc/66/99/12/532669912.db2.gz IZCLKUBCWLOGAT-AWEZNQCLSA-N 1 2 399.314 2.202 20 0 GEADLO C[S@](=O)C1(CNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCC1 ZINC000438320690 532670306 /nfs/dbraw/zinc/67/03/06/532670306.db2.gz YSJNVGSRHKGFET-VWLOTQADSA-N 1 2 383.945 2.299 20 0 GEADLO C[S@](=O)C1(CNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCC1 ZINC000438320690 532670315 /nfs/dbraw/zinc/67/03/15/532670315.db2.gz YSJNVGSRHKGFET-VWLOTQADSA-N 1 2 383.945 2.299 20 0 GEADLO C[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)c1[nH]cc[nH+]1 ZINC000568233646 532672768 /nfs/dbraw/zinc/67/27/68/532672768.db2.gz VPRIMJKQIOVNTK-BDAKNGLRSA-N 1 2 391.225 2.034 20 0 GEADLO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C1 ZINC000660027664 532672795 /nfs/dbraw/zinc/67/27/95/532672795.db2.gz NGYCWBRRYFZGBM-JTQLQIEISA-N 1 2 395.859 2.339 20 0 GEADLO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C1 ZINC000660027664 532672803 /nfs/dbraw/zinc/67/28/03/532672803.db2.gz NGYCWBRRYFZGBM-JTQLQIEISA-N 1 2 395.859 2.339 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000285357766 532673040 /nfs/dbraw/zinc/67/30/40/532673040.db2.gz PZPBOYXWTPSMOY-UHFFFAOYSA-N 1 2 380.491 2.040 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000285357766 532673048 /nfs/dbraw/zinc/67/30/48/532673048.db2.gz PZPBOYXWTPSMOY-UHFFFAOYSA-N 1 2 380.491 2.040 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000636128345 532674144 /nfs/dbraw/zinc/67/41/44/532674144.db2.gz RKVSGTHLYSBRNY-UHFFFAOYSA-N 1 2 394.274 2.136 20 0 GEADLO O=C(c1[nH]nc(C2CC2)c1Br)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000600404827 532674785 /nfs/dbraw/zinc/67/47/85/532674785.db2.gz VOSSPDLHLFFRHQ-CYBMUJFWSA-N 1 2 397.317 2.377 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(Cl)ccc1I ZINC000600419243 532675097 /nfs/dbraw/zinc/67/50/97/532675097.db2.gz GEELNSAVSRETQI-SNVBAGLBSA-N 1 2 394.640 2.005 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc(Cl)ccc1I ZINC000600419243 532675100 /nfs/dbraw/zinc/67/51/00/532675100.db2.gz GEELNSAVSRETQI-SNVBAGLBSA-N 1 2 394.640 2.005 20 0 GEADLO CC(C)([NH2+]Cc1nc(CS(C)(=O)=O)no1)c1ccc(Br)cc1 ZINC000438674782 532675459 /nfs/dbraw/zinc/67/54/59/532675459.db2.gz YIGOSPNPKYRCQA-UHFFFAOYSA-N 1 2 388.287 2.402 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(I)cc1Cl ZINC000600421785 532675708 /nfs/dbraw/zinc/67/57/08/532675708.db2.gz OHFJYPDBOZAHQW-SNVBAGLBSA-N 1 2 394.640 2.005 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(I)cc1Cl ZINC000600421785 532675716 /nfs/dbraw/zinc/67/57/16/532675716.db2.gz OHFJYPDBOZAHQW-SNVBAGLBSA-N 1 2 394.640 2.005 20 0 GEADLO CCS(=O)(=O)c1cccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000534958234 532676032 /nfs/dbraw/zinc/67/60/32/532676032.db2.gz VBUDBADPOAEQSZ-UHFFFAOYSA-N 1 2 375.372 2.169 20 0 GEADLO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378006886 532676112 /nfs/dbraw/zinc/67/61/12/532676112.db2.gz VEXBPRWDMCLGFM-SSDOTTSWSA-N 1 2 399.195 2.063 20 0 GEADLO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378006886 532676116 /nfs/dbraw/zinc/67/61/16/532676116.db2.gz VEXBPRWDMCLGFM-SSDOTTSWSA-N 1 2 399.195 2.063 20 0 GEADLO CC(=O)N(c1nc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cs1)c1ccccc1 ZINC000638770488 532686697 /nfs/dbraw/zinc/68/66/97/532686697.db2.gz CPKGEXFSVVUWHO-INIZCTEOSA-N 1 2 379.507 2.495 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3F)C[C@@H]21 ZINC000285371874 532676540 /nfs/dbraw/zinc/67/65/40/532676540.db2.gz UZPFGSMPTGMHFU-UONOGXRCSA-N 1 2 390.242 2.003 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3F)C[C@@H]21 ZINC000285371874 532676543 /nfs/dbraw/zinc/67/65/43/532676543.db2.gz UZPFGSMPTGMHFU-UONOGXRCSA-N 1 2 390.242 2.003 20 0 GEADLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000568452107 532677062 /nfs/dbraw/zinc/67/70/62/532677062.db2.gz JMVAQLYVYHLLBF-OLZOCXBDSA-N 1 2 390.908 2.193 20 0 GEADLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000568452107 532677069 /nfs/dbraw/zinc/67/70/69/532677069.db2.gz JMVAQLYVYHLLBF-OLZOCXBDSA-N 1 2 390.908 2.193 20 0 GEADLO COc1cc[nH+]c(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1 ZINC000264478148 532677352 /nfs/dbraw/zinc/67/73/52/532677352.db2.gz ZETFCNQOFOKITF-UHFFFAOYSA-N 1 2 381.885 2.250 20 0 GEADLO Cn1cc(Br)cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1=O ZINC000378059644 532678541 /nfs/dbraw/zinc/67/85/41/532678541.db2.gz NJQQXORRNBVZKH-JTQLQIEISA-N 1 2 380.246 2.282 20 0 GEADLO O=C(Cn1cc(Br)cn1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000298858737 532679784 /nfs/dbraw/zinc/67/97/84/532679784.db2.gz LJFBPTKOBQCKGP-UHFFFAOYSA-N 1 2 379.258 2.117 20 0 GEADLO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378113415 532680673 /nfs/dbraw/zinc/68/06/73/532680673.db2.gz PUZXOOLCSRVFAS-SWLSCSKDSA-N 1 2 379.258 2.062 20 0 GEADLO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378113415 532680677 /nfs/dbraw/zinc/68/06/77/532680677.db2.gz PUZXOOLCSRVFAS-SWLSCSKDSA-N 1 2 379.258 2.062 20 0 GEADLO Cn1c2nnc(C[N@@H+]3CCC[C@@]4(CCSC4)C3)n2c2ccsc2c1=O ZINC000568592993 532682114 /nfs/dbraw/zinc/68/21/14/532682114.db2.gz RXUIGVPTQVBVRB-QGZVFWFLSA-N 1 2 375.523 2.362 20 0 GEADLO Cn1c2nnc(C[N@H+]3CCC[C@@]4(CCSC4)C3)n2c2ccsc2c1=O ZINC000568592993 532682119 /nfs/dbraw/zinc/68/21/19/532682119.db2.gz RXUIGVPTQVBVRB-QGZVFWFLSA-N 1 2 375.523 2.362 20 0 GEADLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000639234634 532691345 /nfs/dbraw/zinc/69/13/45/532691345.db2.gz BNCDHTZLNCAREN-NSHDSACASA-N 1 2 399.866 2.303 20 0 GEADLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000639234634 532691352 /nfs/dbraw/zinc/69/13/52/532691352.db2.gz BNCDHTZLNCAREN-NSHDSACASA-N 1 2 399.866 2.303 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285562794 532691750 /nfs/dbraw/zinc/69/17/50/532691750.db2.gz NEXFFMLQQTYLHQ-AWEZNQCLSA-N 1 2 380.388 2.253 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285562794 532691757 /nfs/dbraw/zinc/69/17/57/532691757.db2.gz NEXFFMLQQTYLHQ-AWEZNQCLSA-N 1 2 380.388 2.253 20 0 GEADLO CC(C)(CNC(=O)c1cc(Br)cc2c1OCCO2)[NH+]1CCOCC1 ZINC000665339838 532694435 /nfs/dbraw/zinc/69/44/35/532694435.db2.gz NIIHWEOOGGMOJX-UHFFFAOYSA-N 1 2 399.285 2.061 20 0 GEADLO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3c(Cl)ccnc3Cl)CC2)CCO1 ZINC000378479449 532695654 /nfs/dbraw/zinc/69/56/54/532695654.db2.gz CKZBJRCXIADUCC-LLVKDONJSA-N 1 2 394.324 2.262 20 0 GEADLO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3c(Cl)ccnc3Cl)CC2)CCO1 ZINC000378479449 532695656 /nfs/dbraw/zinc/69/56/56/532695656.db2.gz CKZBJRCXIADUCC-LLVKDONJSA-N 1 2 394.324 2.262 20 0 GEADLO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](CCCN2CCOCC2)CC1 ZINC000299123436 532696027 /nfs/dbraw/zinc/69/60/27/532696027.db2.gz MMAYKERAOOKOPG-UHFFFAOYSA-N 1 2 386.323 2.474 20 0 GEADLO CN(C)C(=O)Sc1cccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000285669604 532697415 /nfs/dbraw/zinc/69/74/15/532697415.db2.gz QGCXZBNIDOQTQQ-MRXNPFEDSA-N 1 2 385.555 2.316 20 0 GEADLO CN(C)C(=O)Sc1cccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000285669604 532697418 /nfs/dbraw/zinc/69/74/18/532697418.db2.gz QGCXZBNIDOQTQQ-MRXNPFEDSA-N 1 2 385.555 2.316 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000285669670 532697836 /nfs/dbraw/zinc/69/78/36/532697836.db2.gz QHGSYXLZYAPCPI-DOMZBBRYSA-N 1 2 381.325 2.383 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000285669670 532697842 /nfs/dbraw/zinc/69/78/42/532697842.db2.gz QHGSYXLZYAPCPI-DOMZBBRYSA-N 1 2 381.325 2.383 20 0 GEADLO Cc1ncc(C(=O)N2CCC(N3CC[N@@H+](C)CC3=O)CC2)c(Cl)c1Cl ZINC000378571407 532698350 /nfs/dbraw/zinc/69/83/50/532698350.db2.gz MYWYVCURFPKMMI-UHFFFAOYSA-N 1 2 385.295 2.075 20 0 GEADLO Cc1ncc(C(=O)N2CCC(N3CC[N@H+](C)CC3=O)CC2)c(Cl)c1Cl ZINC000378571407 532698359 /nfs/dbraw/zinc/69/83/59/532698359.db2.gz MYWYVCURFPKMMI-UHFFFAOYSA-N 1 2 385.295 2.075 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)[C@@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536906194 532699216 /nfs/dbraw/zinc/69/92/16/532699216.db2.gz RSMXKQOJJJVKMG-UHOFOFEASA-N 1 2 376.881 2.323 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)[C@@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536906194 532699224 /nfs/dbraw/zinc/69/92/24/532699224.db2.gz RSMXKQOJJJVKMG-UHOFOFEASA-N 1 2 376.881 2.323 20 0 GEADLO OC[C@H]1CC[N@H+](Cc2ccc(I)c(Cl)c2)C[C@@H]1O ZINC000569646563 532700360 /nfs/dbraw/zinc/70/03/60/532700360.db2.gz ATKWTEOKIVJOOG-MFKMUULPSA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@H]1CC[N@@H+](Cc2ccc(I)c(Cl)c2)C[C@@H]1O ZINC000569646563 532700363 /nfs/dbraw/zinc/70/03/63/532700363.db2.gz ATKWTEOKIVJOOG-MFKMUULPSA-N 1 2 381.641 2.120 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1c(F)cccc1Br)C2 ZINC000569644225 532700935 /nfs/dbraw/zinc/70/09/35/532700935.db2.gz WWFAFVRXQSIIJI-LLVKDONJSA-N 1 2 396.260 2.373 20 0 GEADLO C[C@H]1CCN(C(=O)Nc2cn(C)cc(Br)c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000666692931 532702427 /nfs/dbraw/zinc/70/24/27/532702427.db2.gz GELSHZLGBKNHCM-FZMZJTMJSA-N 1 2 394.273 2.459 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000378270629 532687852 /nfs/dbraw/zinc/68/78/52/532687852.db2.gz SRYKWTMXTAPCGK-LLVKDONJSA-N 1 2 383.857 2.023 20 0 GEADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439279899 532687982 /nfs/dbraw/zinc/68/79/82/532687982.db2.gz BTWUOTRCWRGPIH-NSHDSACASA-N 1 2 383.411 2.337 20 0 GEADLO Nc1ncnc2sc3c(c21)CC[N@H+](C[C@H](O)COCc1cccs1)C3 ZINC000378301878 532689291 /nfs/dbraw/zinc/68/92/91/532689291.db2.gz QRKUYPZIRGCFKP-NSHDSACASA-N 1 2 376.507 2.271 20 0 GEADLO Nc1ncnc2sc3c(c21)CC[N@@H+](C[C@H](O)COCc1cccs1)C3 ZINC000378301878 532689298 /nfs/dbraw/zinc/68/92/98/532689298.db2.gz QRKUYPZIRGCFKP-NSHDSACASA-N 1 2 376.507 2.271 20 0 GEADLO Nc1ncnc2sc3c(c21)CC[N@H+](C[C@@H](O)COCc1cccs1)C3 ZINC000378301877 532689792 /nfs/dbraw/zinc/68/97/92/532689792.db2.gz QRKUYPZIRGCFKP-LLVKDONJSA-N 1 2 376.507 2.271 20 0 GEADLO Nc1ncnc2sc3c(c21)CC[N@@H+](C[C@@H](O)COCc1cccs1)C3 ZINC000378301877 532689799 /nfs/dbraw/zinc/68/97/99/532689799.db2.gz QRKUYPZIRGCFKP-LLVKDONJSA-N 1 2 376.507 2.271 20 0 GEADLO C[C@@H](O)CNc1cc(N(C)C[C@H](O)c2ccccc2Br)nc[nH+]1 ZINC000299009238 532690301 /nfs/dbraw/zinc/69/03/01/532690301.db2.gz SITGPQVZLXKJCW-RISCZKNCSA-N 1 2 381.274 2.202 20 0 GEADLO C[C@@H](O)CNc1cc(N(C)C[C@H](O)c2ccccc2Br)[nH+]cn1 ZINC000299009238 532690308 /nfs/dbraw/zinc/69/03/08/532690308.db2.gz SITGPQVZLXKJCW-RISCZKNCSA-N 1 2 381.274 2.202 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC[N@H+]1C ZINC000536129932 532690891 /nfs/dbraw/zinc/69/08/91/532690891.db2.gz SLBAQSIJZPUSKF-NEPJUHHUSA-N 1 2 390.347 2.228 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC[N@@H+]1C ZINC000536129932 532690894 /nfs/dbraw/zinc/69/08/94/532690894.db2.gz SLBAQSIJZPUSKF-NEPJUHHUSA-N 1 2 390.347 2.228 20 0 GEADLO COC(=O)c1cccc(S(=O)(=O)Nc2cc[nH+]c(C)c2Br)c1 ZINC000569184714 532691141 /nfs/dbraw/zinc/69/11/41/532691141.db2.gz YBGYSFKCOROBQX-UHFFFAOYSA-N 1 2 385.239 2.162 20 0 GEADLO Cc1nn(C)c(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)c1Br ZINC000569709491 532705861 /nfs/dbraw/zinc/70/58/61/532705861.db2.gz GEZBAYJFNWOSQS-UHFFFAOYSA-N 1 2 390.278 2.194 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000299264850 532705924 /nfs/dbraw/zinc/70/59/24/532705924.db2.gz HUDUGRFFNLFFRP-UHFFFAOYSA-N 1 2 383.945 2.244 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000299264850 532705929 /nfs/dbraw/zinc/70/59/29/532705929.db2.gz HUDUGRFFNLFFRP-UHFFFAOYSA-N 1 2 383.945 2.244 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1)c1ccc(Br)cc1 ZINC000391100373 532706743 /nfs/dbraw/zinc/70/67/43/532706743.db2.gz UUOCDLNAXCEOQW-SWLSCSKDSA-N 1 2 385.302 2.098 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1)c1ccc(Br)cc1 ZINC000391100373 532706751 /nfs/dbraw/zinc/70/67/51/532706751.db2.gz UUOCDLNAXCEOQW-SWLSCSKDSA-N 1 2 385.302 2.098 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1ccc(Br)cc1O ZINC000299314204 532708941 /nfs/dbraw/zinc/70/89/41/532708941.db2.gz KSHDRFNPYBKZLG-UHFFFAOYSA-N 1 2 392.253 2.316 20 0 GEADLO O=S(=O)(NCc1cc[nH+]c(N2CCCC2)c1)c1cncc(Br)c1 ZINC000299312192 532709037 /nfs/dbraw/zinc/70/90/37/532709037.db2.gz COVFGCRJAMCQTK-UHFFFAOYSA-N 1 2 397.298 2.318 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)Nc1ccc(Br)c2ncccc12 ZINC000667869315 532709173 /nfs/dbraw/zinc/70/91/73/532709173.db2.gz XANWYIIMVJLTIM-UHFFFAOYSA-N 1 2 379.258 2.451 20 0 GEADLO C[C@H](NC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1cscn1 ZINC000668376097 532710420 /nfs/dbraw/zinc/71/04/20/532710420.db2.gz YGZBNYWZLAWQDD-NHYWBVRUSA-N 1 2 380.901 2.393 20 0 GEADLO CC(=O)N1CCC([N@H+](CC(=O)Nc2nccs2)Cc2cncs2)CC1 ZINC000573779845 532712033 /nfs/dbraw/zinc/71/20/33/532712033.db2.gz VQYBMXLIKAHDJE-UHFFFAOYSA-N 1 2 379.511 2.051 20 0 GEADLO CC(=O)N1CCC([N@@H+](CC(=O)Nc2nccs2)Cc2cncs2)CC1 ZINC000573779845 532712039 /nfs/dbraw/zinc/71/20/39/532712039.db2.gz VQYBMXLIKAHDJE-UHFFFAOYSA-N 1 2 379.511 2.051 20 0 GEADLO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000494280587 532716106 /nfs/dbraw/zinc/71/61/06/532716106.db2.gz XDDZKTKKUMMIPI-SECBINFHSA-N 1 2 377.666 2.212 20 0 GEADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000494280587 532716110 /nfs/dbraw/zinc/71/61/10/532716110.db2.gz XDDZKTKKUMMIPI-SECBINFHSA-N 1 2 377.666 2.212 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)CSCc1cc(-c2cccs2)on1 ZINC000608904935 532716372 /nfs/dbraw/zinc/71/63/72/532716372.db2.gz PMAUXQULZGWZPA-UHFFFAOYSA-N 1 2 381.523 2.427 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)CSCc1ccc(Br)cc1 ZINC000608904348 532716656 /nfs/dbraw/zinc/71/66/56/532716656.db2.gz LNRMTCMPDRPKKH-UHFFFAOYSA-N 1 2 387.343 2.473 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c(F)cccc2Br)C[C@H]1C ZINC000538683350 532716698 /nfs/dbraw/zinc/71/66/98/532716698.db2.gz VIJFSKMDDLFPKI-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2c(F)cccc2Br)C[C@H]1C ZINC000538683350 532716704 /nfs/dbraw/zinc/71/67/04/532716704.db2.gz VIJFSKMDDLFPKI-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO COc1ncc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1Cl ZINC000645575814 532717897 /nfs/dbraw/zinc/71/78/97/532717897.db2.gz WZXQXOMDNSTNGH-UHFFFAOYSA-N 1 2 380.857 2.221 20 0 GEADLO Cc1ccc(NC(=O)CN2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(Br)c1 ZINC000285929720 532720711 /nfs/dbraw/zinc/72/07/11/532720711.db2.gz LQYVWUOOUBQLCC-HUUCEWRRSA-N 1 2 396.329 2.491 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000538851467 532721318 /nfs/dbraw/zinc/72/13/18/532721318.db2.gz NORHVEQTALQSRT-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000538851467 532721324 /nfs/dbraw/zinc/72/13/24/532721324.db2.gz NORHVEQTALQSRT-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1Br ZINC000538851761 532721495 /nfs/dbraw/zinc/72/14/95/532721495.db2.gz BIEHDPHMAMPNPK-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1Br ZINC000538851761 532721501 /nfs/dbraw/zinc/72/15/01/532721501.db2.gz BIEHDPHMAMPNPK-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)ccc1Br ZINC000538851847 532722268 /nfs/dbraw/zinc/72/22/68/532722268.db2.gz FMRJBIFZGADAQJ-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)ccc1Br ZINC000538851847 532722274 /nfs/dbraw/zinc/72/22/74/532722274.db2.gz FMRJBIFZGADAQJ-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000646111723 532722366 /nfs/dbraw/zinc/72/23/66/532722366.db2.gz VLAXLCCMGDFCPX-AWEZNQCLSA-N 1 2 381.757 2.418 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3[nH]nc(C4CC4)c3Br)CC2)S1 ZINC000266714728 532722373 /nfs/dbraw/zinc/72/23/73/532722373.db2.gz RBCJCAUXLJRVLQ-SECBINFHSA-N 1 2 398.330 2.299 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000646111723 532722374 /nfs/dbraw/zinc/72/23/74/532722374.db2.gz VLAXLCCMGDFCPX-AWEZNQCLSA-N 1 2 381.757 2.418 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000646111775 532722470 /nfs/dbraw/zinc/72/24/70/532722470.db2.gz XBDCRXDHBWVYTL-LKFCYVNXSA-N 1 2 378.782 2.062 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000646111775 532722473 /nfs/dbraw/zinc/72/24/73/532722473.db2.gz XBDCRXDHBWVYTL-LKFCYVNXSA-N 1 2 378.782 2.062 20 0 GEADLO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2)c[nH+]1 ZINC000441760629 532726470 /nfs/dbraw/zinc/72/64/70/532726470.db2.gz DXQSAJZZWBWTLZ-UHFFFAOYSA-N 1 2 395.232 2.304 20 0 GEADLO O=C(N[C@H]1CCSC1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000266842351 532727492 /nfs/dbraw/zinc/72/74/92/532727492.db2.gz XACWXLZSVUHNTO-AWEZNQCLSA-N 1 2 379.917 2.320 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCCn2c(C)[nH+]c3ccccc32)s1 ZINC000409860180 532728769 /nfs/dbraw/zinc/72/87/69/532728769.db2.gz UZFLBPPYRLGXNQ-UHFFFAOYSA-N 1 2 379.463 2.171 20 0 GEADLO O=C(C[NH2+][C@@H](CO)c1cccc(Cl)c1F)NC(=O)NCc1cccs1 ZINC000499937470 532729939 /nfs/dbraw/zinc/72/99/39/532729939.db2.gz CGMFVILLBARSGE-ZDUSSCGKSA-N 1 2 385.848 2.190 20 0 GEADLO O=C(Nc1cccc(Cl)c1Cl)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785535 532731381 /nfs/dbraw/zinc/73/13/81/532731381.db2.gz SNCWWLIQGJMTRR-LBPRGKRZSA-N 1 2 386.279 2.255 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000285923742 532718862 /nfs/dbraw/zinc/71/88/62/532718862.db2.gz TUOSXRLTCQOWFG-JSGCOSHPSA-N 1 2 385.277 2.452 20 0 GEADLO Cc1cccc2cc(S(=O)(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)sc21 ZINC000645644316 532719230 /nfs/dbraw/zinc/71/92/30/532719230.db2.gz BCXSYVROXYZLNE-HZPDHXFCSA-N 1 2 380.535 2.429 20 0 GEADLO O=S(=O)(NCCNc1cc[nH+]c2ccncc12)c1ccc(Cl)cc1F ZINC000440662866 532719404 /nfs/dbraw/zinc/71/94/04/532719404.db2.gz HALCHAUFHWWMBZ-UHFFFAOYSA-N 1 2 380.832 2.235 20 0 GEADLO CN(C)C(=O)NCC[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000538810605 532719815 /nfs/dbraw/zinc/71/98/15/532719815.db2.gz VWPNIWIKXHGAIN-UHFFFAOYSA-N 1 2 388.291 2.264 20 0 GEADLO CN(C)C(=O)NCC[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000538810605 532719820 /nfs/dbraw/zinc/71/98/20/532719820.db2.gz VWPNIWIKXHGAIN-UHFFFAOYSA-N 1 2 388.291 2.264 20 0 GEADLO Cn1nc(Br)c2c1ncnc2NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000301177577 532743014 /nfs/dbraw/zinc/74/30/14/532743014.db2.gz XKNGRRLMXDXGIG-UHFFFAOYSA-N 1 2 385.229 2.319 20 0 GEADLO NC(=O)c1cccc(C[S@@](=O)Cc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000502872841 532744016 /nfs/dbraw/zinc/74/40/16/532744016.db2.gz RGDYYSPKXXNZHM-HSZRJFAPSA-N 1 2 393.266 2.040 20 0 GEADLO O=C([C@H]1CCn2c[nH+]cc2C1)N(CCO)Cc1cc(Br)cs1 ZINC000580146613 532745797 /nfs/dbraw/zinc/74/57/97/532745797.db2.gz IEQKDTBUXARXLL-NSHDSACASA-N 1 2 384.299 2.291 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000442770485 532734708 /nfs/dbraw/zinc/73/47/08/532734708.db2.gz PYJITVLLMKESMS-ZDUSSCGKSA-N 1 2 382.463 2.080 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC(C)(C)S(C)(=O)=O)n2)C1 ZINC000674019653 532735652 /nfs/dbraw/zinc/73/56/52/532735652.db2.gz VPJGMVROTHKQSA-LBPRGKRZSA-N 1 2 388.559 2.320 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC(C)(C)S(C)(=O)=O)n2)C1 ZINC000674019653 532735655 /nfs/dbraw/zinc/73/56/55/532735655.db2.gz VPJGMVROTHKQSA-LBPRGKRZSA-N 1 2 388.559 2.320 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCS(=O)(=O)Cc2ccccc2)C1 ZINC000286258164 532736686 /nfs/dbraw/zinc/73/66/86/532736686.db2.gz AWHZCCKZUMRSHN-OAHLLOKOSA-N 1 2 379.400 2.029 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCS(=O)(=O)Cc2ccccc2)C1 ZINC000286258164 532736691 /nfs/dbraw/zinc/73/66/91/532736691.db2.gz AWHZCCKZUMRSHN-OAHLLOKOSA-N 1 2 379.400 2.029 20 0 GEADLO C[C@H](COCC(F)(F)F)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442974209 532737828 /nfs/dbraw/zinc/73/78/28/532737828.db2.gz BQYMKZOYPUDHAW-GFCCVEGCSA-N 1 2 377.388 2.177 20 0 GEADLO COc1cc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)ccc1Br ZINC000501179420 532738317 /nfs/dbraw/zinc/73/83/17/532738317.db2.gz YAJWXUUYOMKACT-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO COc1cc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)ccc1Br ZINC000501179420 532738321 /nfs/dbraw/zinc/73/83/21/532738321.db2.gz YAJWXUUYOMKACT-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO OCCN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1cc(Br)ccc1F ZINC000540467653 532738879 /nfs/dbraw/zinc/73/88/79/532738879.db2.gz GJOOPAIDRZEVQQ-IYBDPMFKSA-N 1 2 387.293 2.246 20 0 GEADLO OCCN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1cc(Br)ccc1F ZINC000540467653 532738884 /nfs/dbraw/zinc/73/88/84/532738884.db2.gz GJOOPAIDRZEVQQ-IYBDPMFKSA-N 1 2 387.293 2.246 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000410415303 532739482 /nfs/dbraw/zinc/73/94/82/532739482.db2.gz VCYZGAYUASYYMX-MRXNPFEDSA-N 1 2 382.346 2.287 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000410415303 532739485 /nfs/dbraw/zinc/73/94/85/532739485.db2.gz VCYZGAYUASYYMX-MRXNPFEDSA-N 1 2 382.346 2.287 20 0 GEADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000267338241 532739954 /nfs/dbraw/zinc/73/99/54/532739954.db2.gz PMHMHLKBANUHME-UHFFFAOYSA-N 1 2 383.857 2.384 20 0 GEADLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ncc(Br)cn3)CC2)C1 ZINC000301086337 532740135 /nfs/dbraw/zinc/74/01/35/532740135.db2.gz LTJAMFOXERMDHB-UKRRQHHQSA-N 1 2 396.333 2.056 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2ccccc2CNc2ncccc2Cl)CC1 ZINC000301587439 532755259 /nfs/dbraw/zinc/75/52/59/532755259.db2.gz XESVHEGOZLLLDH-UHFFFAOYSA-N 1 2 380.901 2.283 20 0 GEADLO COc1nnc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000581381861 532755706 /nfs/dbraw/zinc/75/57/06/532755706.db2.gz AQGWFLZIGCGLSS-NWDGAFQWSA-N 1 2 385.852 2.906 20 0 GEADLO COc1nnc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000581381861 532755710 /nfs/dbraw/zinc/75/57/10/532755710.db2.gz AQGWFLZIGCGLSS-NWDGAFQWSA-N 1 2 385.852 2.906 20 0 GEADLO COc1nnc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000581381863 532755768 /nfs/dbraw/zinc/75/57/68/532755768.db2.gz AQGWFLZIGCGLSS-VXGBXAGGSA-N 1 2 385.852 2.906 20 0 GEADLO COc1nnc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000581381863 532755772 /nfs/dbraw/zinc/75/57/72/532755772.db2.gz AQGWFLZIGCGLSS-VXGBXAGGSA-N 1 2 385.852 2.906 20 0 GEADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000541642095 532757070 /nfs/dbraw/zinc/75/70/70/532757070.db2.gz BHJUUEJUIBMETH-ZIAGYGMSSA-N 1 2 387.571 2.028 20 0 GEADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCN3CCOC[C@@H]3C2)ccc1Br ZINC000541700178 532758403 /nfs/dbraw/zinc/75/84/03/532758403.db2.gz JIKFUAUQBTWKLW-ZFWWWQNUSA-N 1 2 382.302 2.101 20 0 GEADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCN3CCOC[C@@H]3C2)ccc1Br ZINC000541700178 532758408 /nfs/dbraw/zinc/75/84/08/532758408.db2.gz JIKFUAUQBTWKLW-ZFWWWQNUSA-N 1 2 382.302 2.101 20 0 GEADLO CC[N@H+](CCCc1c(F)cccc1Cl)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000447795679 532758502 /nfs/dbraw/zinc/75/85/02/532758502.db2.gz PHIHQQWWWGBNGL-CYBMUJFWSA-N 1 2 390.908 2.037 20 0 GEADLO CC[N@@H+](CCCc1c(F)cccc1Cl)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000447795679 532758506 /nfs/dbraw/zinc/75/85/06/532758506.db2.gz PHIHQQWWWGBNGL-CYBMUJFWSA-N 1 2 390.908 2.037 20 0 GEADLO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268270906 532759251 /nfs/dbraw/zinc/75/92/51/532759251.db2.gz SNYKLGZCULTZJQ-UHFFFAOYSA-N 1 2 383.857 2.403 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCn3cccn3)[nH+]c12 ZINC000541841165 532759367 /nfs/dbraw/zinc/75/93/67/532759367.db2.gz VRUDYJPOJDWOHY-UHFFFAOYSA-N 1 2 391.273 2.144 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411407805 532760959 /nfs/dbraw/zinc/76/09/59/532760959.db2.gz NAOQITCSRIJQJJ-GWCFXTLKSA-N 1 2 377.794 2.222 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411407805 532760965 /nfs/dbraw/zinc/76/09/65/532760965.db2.gz NAOQITCSRIJQJJ-GWCFXTLKSA-N 1 2 377.794 2.222 20 0 GEADLO CCn1ccnc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)c1=O ZINC000301962053 532762787 /nfs/dbraw/zinc/76/27/87/532762787.db2.gz SPNQYZLIHXHSIC-UHFFFAOYSA-N 1 2 377.286 2.348 20 0 GEADLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](O)CCSC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541166437 532748899 /nfs/dbraw/zinc/74/88/99/532748899.db2.gz LXLIXGLFOKZUCL-SQWLQELKSA-N 1 2 376.444 2.469 20 0 GEADLO CC[N@H+]1CC[C@H](NC(=O)[C@H](O)CCSC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541166437 532748906 /nfs/dbraw/zinc/74/89/06/532748906.db2.gz LXLIXGLFOKZUCL-SQWLQELKSA-N 1 2 376.444 2.469 20 0 GEADLO O=S(=O)(NCC[NH+]1CCC1)c1ccc(Br)cc1Br ZINC000443732244 532749149 /nfs/dbraw/zinc/74/91/49/532749149.db2.gz MDADPOYLMYQWGJ-UHFFFAOYSA-N 1 2 398.120 2.196 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000411154837 532749180 /nfs/dbraw/zinc/74/91/80/532749180.db2.gz LGEBHGSEXDZACR-ZDUSSCGKSA-N 1 2 377.794 2.224 20 0 GEADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000580517360 532749643 /nfs/dbraw/zinc/74/96/43/532749643.db2.gz DOOGYUSHZDVQDD-TVQRCGJNSA-N 1 2 379.873 2.058 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000444696458 532750810 /nfs/dbraw/zinc/75/08/10/532750810.db2.gz IHICPFIBEHHTDL-IHRRRGAJSA-N 1 2 384.464 2.075 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000444696458 532750812 /nfs/dbraw/zinc/75/08/12/532750812.db2.gz IHICPFIBEHHTDL-IHRRRGAJSA-N 1 2 384.464 2.075 20 0 GEADLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)NC[C@H]1CSCCS1 ZINC000267842547 532751562 /nfs/dbraw/zinc/75/15/62/532751562.db2.gz LUMQNLHUMWSXRX-IRXDYDNUSA-N 1 2 381.567 2.208 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)c1cccnc1C(F)(F)F ZINC000286523756 532753165 /nfs/dbraw/zinc/75/31/65/532753165.db2.gz FXIFLNQFCGDFPQ-UHFFFAOYSA-N 1 2 391.440 2.499 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2sccc2C1)c1cccnc1C(F)(F)F ZINC000286523756 532753170 /nfs/dbraw/zinc/75/31/70/532753170.db2.gz FXIFLNQFCGDFPQ-UHFFFAOYSA-N 1 2 391.440 2.499 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000302941511 532774781 /nfs/dbraw/zinc/77/47/81/532774781.db2.gz AIJHXGGKTUTSPQ-UHFFFAOYSA-N 1 2 396.329 2.052 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000302941511 532774785 /nfs/dbraw/zinc/77/47/85/532774785.db2.gz AIJHXGGKTUTSPQ-UHFFFAOYSA-N 1 2 396.329 2.052 20 0 GEADLO Cc1cccc(CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)c1Br ZINC000302828123 532774986 /nfs/dbraw/zinc/77/49/86/532774986.db2.gz IKPMNYGDWHSQOI-UHFFFAOYSA-N 1 2 390.285 2.438 20 0 GEADLO Cc1cccc(CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)c1Br ZINC000302828123 532774990 /nfs/dbraw/zinc/77/49/90/532774990.db2.gz IKPMNYGDWHSQOI-UHFFFAOYSA-N 1 2 390.285 2.438 20 0 GEADLO Cc1ccc(Br)cc1CNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000302828792 532775272 /nfs/dbraw/zinc/77/52/72/532775272.db2.gz JEDXBJKBGWNGOC-UHFFFAOYSA-N 1 2 390.285 2.438 20 0 GEADLO Cc1ccc(Br)cc1CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000302828792 532775277 /nfs/dbraw/zinc/77/52/77/532775277.db2.gz JEDXBJKBGWNGOC-UHFFFAOYSA-N 1 2 390.285 2.438 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000512289530 532777826 /nfs/dbraw/zinc/77/78/26/532777826.db2.gz SSQGZDOMVBQGJM-JTQLQIEISA-N 1 2 391.280 2.296 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000512289530 532777832 /nfs/dbraw/zinc/77/78/32/532777832.db2.gz SSQGZDOMVBQGJM-JTQLQIEISA-N 1 2 391.280 2.296 20 0 GEADLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)CC[C@@H]1O ZINC000313712285 532779499 /nfs/dbraw/zinc/77/94/99/532779499.db2.gz AXNXRDKTBPUKLB-AWEZNQCLSA-N 1 2 376.316 2.316 20 0 GEADLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)CC[C@@H]1O ZINC000313712285 532779500 /nfs/dbraw/zinc/77/95/00/532779500.db2.gz AXNXRDKTBPUKLB-AWEZNQCLSA-N 1 2 376.316 2.316 20 0 GEADLO Cc1nc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)ccc1Br ZINC000301988015 532764383 /nfs/dbraw/zinc/76/43/83/532764383.db2.gz LICMJWDZIOQEDZ-UHFFFAOYSA-N 1 2 381.318 2.287 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(Nc2nnc(Cc3ccccc3)s2)CC1 ZINC000302088964 532766295 /nfs/dbraw/zinc/76/62/95/532766295.db2.gz OMPAQKUKHFDUFC-UHFFFAOYSA-N 1 2 380.539 2.050 20 0 GEADLO CS[C@@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)C(C)(C)C ZINC000542205662 532766976 /nfs/dbraw/zinc/76/69/76/532766976.db2.gz PRMKBDHKGPJGPR-HNNXBMFYSA-N 1 2 386.587 2.207 20 0 GEADLO COc1cc(Cl)c(F)c(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000411582785 532768564 /nfs/dbraw/zinc/76/85/64/532768564.db2.gz BDJMGSSCJSBGLT-QGZVFWFLSA-N 1 2 388.892 2.425 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000509413523 532768684 /nfs/dbraw/zinc/76/86/84/532768684.db2.gz CTWMKNRFBNLIGY-CHWSQXEVSA-N 1 2 375.332 2.247 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000509413523 532768687 /nfs/dbraw/zinc/76/86/87/532768687.db2.gz CTWMKNRFBNLIGY-CHWSQXEVSA-N 1 2 375.332 2.247 20 0 GEADLO CN(Cc1ccc(Br)cc1)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000302334184 532769709 /nfs/dbraw/zinc/76/97/09/532769709.db2.gz VCQFEIXKCMCNKG-UHFFFAOYSA-N 1 2 390.285 2.154 20 0 GEADLO CN(Cc1ccc(Br)cc1)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000302334184 532769714 /nfs/dbraw/zinc/76/97/14/532769714.db2.gz VCQFEIXKCMCNKG-UHFFFAOYSA-N 1 2 390.285 2.154 20 0 GEADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)o1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000411598995 532770115 /nfs/dbraw/zinc/77/01/15/532770115.db2.gz TYNDNISNRXAZQS-STQMWFEESA-N 1 2 387.502 2.184 20 0 GEADLO C[N@H+](Cc1ccc(S(C)(=O)=O)o1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000411598995 532770116 /nfs/dbraw/zinc/77/01/16/532770116.db2.gz TYNDNISNRXAZQS-STQMWFEESA-N 1 2 387.502 2.184 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000268786022 532770369 /nfs/dbraw/zinc/77/03/69/532770369.db2.gz ZTGXCWCLTYWQRX-UHFFFAOYSA-N 1 2 375.372 2.383 20 0 GEADLO CC[N@H+](CC(=O)N[C@@H](CCSC)C(=O)N(C)C)Cc1ccccc1Cl ZINC000588803489 532770799 /nfs/dbraw/zinc/77/07/99/532770799.db2.gz XKKLICPPWXOTKF-INIZCTEOSA-N 1 2 385.961 2.488 20 0 GEADLO CC[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)N(C)C)Cc1ccccc1Cl ZINC000588803489 532770804 /nfs/dbraw/zinc/77/08/04/532770804.db2.gz XKKLICPPWXOTKF-INIZCTEOSA-N 1 2 385.961 2.488 20 0 GEADLO COC(=O)c1cc(OC)c(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000268828290 532772744 /nfs/dbraw/zinc/77/27/44/532772744.db2.gz ZSKIMCILPIAYTI-JTQLQIEISA-N 1 2 385.467 2.182 20 0 GEADLO Cc1csc([C@@](O)(CC(=O)N(C)CCCn2cc[nH+]c2)C(F)(F)F)n1 ZINC000268967481 532773749 /nfs/dbraw/zinc/77/37/49/532773749.db2.gz BJRGWJMUKUVZKI-AWEZNQCLSA-N 1 2 376.404 2.337 20 0 GEADLO C[C@H](c1cccc(Br)c1)[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411749813 532773895 /nfs/dbraw/zinc/77/38/95/532773895.db2.gz WXVGFMLPUTWGRM-CYBMUJFWSA-N 1 2 390.347 2.324 20 0 GEADLO C[C@H](c1cccc(Br)c1)[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411749813 532773900 /nfs/dbraw/zinc/77/39/00/532773900.db2.gz WXVGFMLPUTWGRM-CYBMUJFWSA-N 1 2 390.347 2.324 20 0 GEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000268993236 532774341 /nfs/dbraw/zinc/77/43/41/532774341.db2.gz WNLGLZREPBXUED-ZIAGYGMSSA-N 1 2 384.523 2.378 20 0 GEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000268993236 532774344 /nfs/dbraw/zinc/77/43/44/532774344.db2.gz WNLGLZREPBXUED-ZIAGYGMSSA-N 1 2 384.523 2.378 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(Nc2ncc(Cl)cc2Br)CC1 ZINC000302840015 532774593 /nfs/dbraw/zinc/77/45/93/532774593.db2.gz ZUUDPYQIKIRUNI-UHFFFAOYSA-N 1 2 396.738 2.418 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000545196254 532783469 /nfs/dbraw/zinc/78/34/69/532783469.db2.gz DJICCMGKSHQREO-LLVKDONJSA-N 1 2 379.258 2.468 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)C1 ZINC000412062786 532784770 /nfs/dbraw/zinc/78/47/70/532784770.db2.gz BQBSPZJSQPVVQE-CYBMUJFWSA-N 1 2 380.901 2.474 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)C1 ZINC000412062786 532784772 /nfs/dbraw/zinc/78/47/72/532784772.db2.gz BQBSPZJSQPVVQE-CYBMUJFWSA-N 1 2 380.901 2.474 20 0 GEADLO CC[C@H]1C[C@H](C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)CC(=O)N1 ZINC000546822611 532785822 /nfs/dbraw/zinc/78/58/22/532785822.db2.gz BECVFQBDHHRMQX-AAEUAGOBSA-N 1 2 393.285 2.326 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(C)cc2Br)C1 ZINC000412366493 532788863 /nfs/dbraw/zinc/78/88/63/532788863.db2.gz ZNUYCCHBSJKGQW-CQSZACIVSA-N 1 2 397.313 2.301 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(C)cc2Br)C1 ZINC000412366493 532788868 /nfs/dbraw/zinc/78/88/68/532788868.db2.gz ZNUYCCHBSJKGQW-CQSZACIVSA-N 1 2 397.313 2.301 20 0 GEADLO CNc1cc(I)ccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000412413397 532791698 /nfs/dbraw/zinc/79/16/98/532791698.db2.gz FSLVZEGKTZNTIP-UHFFFAOYSA-N 1 2 384.221 2.039 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000412433908 532792467 /nfs/dbraw/zinc/79/24/67/532792467.db2.gz FPAXRFYGRLVKIR-UHFFFAOYSA-N 1 2 389.265 2.007 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cccc(Br)c2C)CC1 ZINC000412439331 532792581 /nfs/dbraw/zinc/79/25/81/532792581.db2.gz WNRKHGMLPHGEIZ-UHFFFAOYSA-N 1 2 385.302 2.177 20 0 GEADLO C[C@@H](CNc1c(Br)cccc1S(C)(=O)=O)C[NH+]1CCOCC1 ZINC000287372250 532792866 /nfs/dbraw/zinc/79/28/66/532792866.db2.gz QQJBLWDPBAJODH-LBPRGKRZSA-N 1 2 391.331 2.233 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000287443088 532795413 /nfs/dbraw/zinc/79/54/13/532795413.db2.gz CZLULNDMARWWHD-NSHDSACASA-N 1 2 376.835 2.351 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000287443088 532795417 /nfs/dbraw/zinc/79/54/17/532795417.db2.gz CZLULNDMARWWHD-NSHDSACASA-N 1 2 376.835 2.351 20 0 GEADLO C[NH+](C)[C@@H](CNS(=O)(=O)CCOCC(F)(F)F)c1ccccc1Cl ZINC000554897511 532805926 /nfs/dbraw/zinc/80/59/26/532805926.db2.gz XBZSEOCOYOJABM-ZDUSSCGKSA-N 1 2 388.839 2.441 20 0 GEADLO O=C(NCc1nccs1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000556669497 532811291 /nfs/dbraw/zinc/81/12/91/532811291.db2.gz VVVIERGEDDBWNV-UHFFFAOYSA-N 1 2 398.286 2.459 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000554954220 532806753 /nfs/dbraw/zinc/80/67/53/532806753.db2.gz KJLDBVSHSSTOJW-STQMWFEESA-N 1 2 380.432 2.401 20 0 GEADLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cccc(Br)n1 ZINC000271297335 532807142 /nfs/dbraw/zinc/80/71/42/532807142.db2.gz SMCZKUYKUFYPKT-UHFFFAOYSA-N 1 2 377.242 2.006 20 0 GEADLO O=C(NCc1cc(Br)ccc1F)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000556670189 532811330 /nfs/dbraw/zinc/81/13/30/532811330.db2.gz KVMPUINQJKUEHI-UHFFFAOYSA-N 1 2 391.200 2.491 20 0 GEADLO Nc1nsc(N2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)n1 ZINC000271289182 532807228 /nfs/dbraw/zinc/80/72/28/532807228.db2.gz QZJBVRNKMARJLP-UHFFFAOYSA-N 1 2 375.889 2.282 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C[C@@H]21 ZINC000329563536 532808629 /nfs/dbraw/zinc/80/86/29/532808629.db2.gz JWHAZFHXGHJASM-GUTXKFCHSA-N 1 2 381.885 2.334 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C[C@@H]21 ZINC000329563536 532808633 /nfs/dbraw/zinc/80/86/33/532808633.db2.gz JWHAZFHXGHJASM-GUTXKFCHSA-N 1 2 381.885 2.334 20 0 GEADLO CC(C)Nc1nc(N[C@H](C)c2ccc(Br)cn2)nc(NCCO)[nH+]1 ZINC000287791820 532809279 /nfs/dbraw/zinc/80/92/79/532809279.db2.gz OVGGSTJEESJSGD-SNVBAGLBSA-N 1 2 396.293 2.427 20 0 GEADLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H](C)c2ccc(Br)cn2)n1 ZINC000287791820 532809285 /nfs/dbraw/zinc/80/92/85/532809285.db2.gz OVGGSTJEESJSGD-SNVBAGLBSA-N 1 2 396.293 2.427 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CSC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000329701911 532810123 /nfs/dbraw/zinc/81/01/23/532810123.db2.gz HQYQGHGJQAKMEP-AWEZNQCLSA-N 1 2 376.869 2.094 20 0 GEADLO Cc1ccc(NC(=O)c2nnc(C[NH2+]C3(CO)CCSCC3)s2)cc1 ZINC000459690440 532797237 /nfs/dbraw/zinc/79/72/37/532797237.db2.gz FGXKZUNNXYIWNN-UHFFFAOYSA-N 1 2 378.523 2.447 20 0 GEADLO COc1ccc(Br)cc1CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000461037090 532799773 /nfs/dbraw/zinc/79/97/73/532799773.db2.gz HHTXCBSOYDXNSL-UHFFFAOYSA-N 1 2 393.285 2.068 20 0 GEADLO Cc1nc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1Br ZINC000287569933 532800017 /nfs/dbraw/zinc/80/00/17/532800017.db2.gz NBHAKWIQANJEFB-AAEUAGOBSA-N 1 2 383.290 2.479 20 0 GEADLO O=C1[C@@H]([N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccc(Cl)cc1Cl ZINC000329161995 532803147 /nfs/dbraw/zinc/80/31/47/532803147.db2.gz FVTDHRNTOFKBOI-NZVBXONLSA-N 1 2 389.304 2.218 20 0 GEADLO O=C1[C@@H]([N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccc(Cl)cc1Cl ZINC000329161995 532803151 /nfs/dbraw/zinc/80/31/51/532803151.db2.gz FVTDHRNTOFKBOI-NZVBXONLSA-N 1 2 389.304 2.218 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000287647921 532804814 /nfs/dbraw/zinc/80/48/14/532804814.db2.gz QDLOXDSHZKZSRB-GFCCVEGCSA-N 1 2 376.835 2.351 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000287647921 532804816 /nfs/dbraw/zinc/80/48/16/532804816.db2.gz QDLOXDSHZKZSRB-GFCCVEGCSA-N 1 2 376.835 2.351 20 0 GEADLO Cc1ccc(Br)cc1-c1nnc(NC[C@@H]2C[N@H+](C)CCO2)s1 ZINC000329876889 532812838 /nfs/dbraw/zinc/81/28/38/532812838.db2.gz IMRQLUVGBVFHCB-GFCCVEGCSA-N 1 2 383.315 3.019 20 0 GEADLO Cc1ccc(Br)cc1-c1nnc(NC[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000329876889 532812840 /nfs/dbraw/zinc/81/28/40/532812840.db2.gz IMRQLUVGBVFHCB-GFCCVEGCSA-N 1 2 383.315 3.019 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000329939264 532813251 /nfs/dbraw/zinc/81/32/51/532813251.db2.gz AWSGQPHQDYFRPS-GHMZBOCLSA-N 1 2 385.287 2.075 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000329939264 532813255 /nfs/dbraw/zinc/81/32/55/532813255.db2.gz AWSGQPHQDYFRPS-GHMZBOCLSA-N 1 2 385.287 2.075 20 0 GEADLO C[C@H](NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@H]1CCOC1 ZINC000556668496 532811769 /nfs/dbraw/zinc/81/17/69/532811769.db2.gz DDFIWLHOIOZNFX-RYUDHWBXSA-N 1 2 399.289 2.227 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000272223661 532813592 /nfs/dbraw/zinc/81/35/92/532813592.db2.gz CNTRDWVXMBEYCH-UHFFFAOYSA-N 1 2 391.313 2.379 20 0 GEADLO OC[C@H]1CCCN(c2cc(NCCCn3cc(Br)cn3)[nH+]cn2)C1 ZINC000288105437 532817789 /nfs/dbraw/zinc/81/77/89/532817789.db2.gz BFFQPRLWIMAWKS-ZDUSSCGKSA-N 1 2 395.305 2.147 20 0 GEADLO OC[C@H]1CCCN(c2cc(NCCCn3cc(Br)cn3)nc[nH+]2)C1 ZINC000288105437 532817791 /nfs/dbraw/zinc/81/77/91/532817791.db2.gz BFFQPRLWIMAWKS-ZDUSSCGKSA-N 1 2 395.305 2.147 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2c(C)cccc2Br)CC1 ZINC000413863819 532815833 /nfs/dbraw/zinc/81/58/33/532815833.db2.gz IQTIKCIMXJNXIV-UHFFFAOYSA-N 1 2 385.302 2.177 20 0 GEADLO CN(C(=O)c1[nH]nc(C2CC2)c1Br)C(C)(C)C[NH+]1CCOCC1 ZINC000414053092 532818031 /nfs/dbraw/zinc/81/80/31/532818031.db2.gz ROHWGJLLWKUNIX-UHFFFAOYSA-N 1 2 385.306 2.232 20 0 GEADLO Fc1cc(C[NH+]2CCN(c3cncc4ncnn43)CC2)ccc1Br ZINC000272881467 532818504 /nfs/dbraw/zinc/81/85/04/532818504.db2.gz VRGAYDGKPPYREH-UHFFFAOYSA-N 1 2 391.248 2.348 20 0 GEADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000414064734 532818517 /nfs/dbraw/zinc/81/85/17/532818517.db2.gz GBBYPWMLFVLJKH-LLVKDONJSA-N 1 2 383.495 2.031 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)C[C@H]1C ZINC000288141121 532818812 /nfs/dbraw/zinc/81/88/12/532818812.db2.gz YVJMDXOOSAOHDQ-VXGBXAGGSA-N 1 2 380.432 2.000 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)C[C@H]1C ZINC000288141121 532818816 /nfs/dbraw/zinc/81/88/16/532818816.db2.gz YVJMDXOOSAOHDQ-VXGBXAGGSA-N 1 2 380.432 2.000 20 0 GEADLO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000414064067 532818884 /nfs/dbraw/zinc/81/88/84/532818884.db2.gz FIFSTJZCULKYGY-WDEREUQCSA-N 1 2 383.495 2.250 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000330417187 532818040 /nfs/dbraw/zinc/81/80/40/532818040.db2.gz OZJGWWZUIYVPGG-UHFFFAOYSA-N 1 2 380.432 2.091 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330421447 532818086 /nfs/dbraw/zinc/81/80/86/532818086.db2.gz RRHWJMQOCOADTA-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330421447 532818089 /nfs/dbraw/zinc/81/80/89/532818089.db2.gz RRHWJMQOCOADTA-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCO[C@H](C)C3)[nH+]c12 ZINC000273419947 532823693 /nfs/dbraw/zinc/82/36/93/532823693.db2.gz RPNOOQJYJDOOQO-GFCCVEGCSA-N 1 2 381.274 2.378 20 0 GEADLO CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000273321722 532822925 /nfs/dbraw/zinc/82/29/25/532822925.db2.gz RXOZBJRIHCIYDC-JTQLQIEISA-N 1 2 380.436 2.187 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCC3(C)COC3)[nH+]c12 ZINC000273335121 532823051 /nfs/dbraw/zinc/82/30/51/532823051.db2.gz NFTLWPQEYYHYQV-UHFFFAOYSA-N 1 2 381.274 2.283 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)c3nc[nH]n3)[nH+]c12 ZINC000273415598 532823408 /nfs/dbraw/zinc/82/34/08/532823408.db2.gz FHAYWDQGZDAOCF-SNVBAGLBSA-N 1 2 392.261 2.126 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCCCn3cc[nH+]c3)nc12 ZINC000273450361 532824729 /nfs/dbraw/zinc/82/47/29/532824729.db2.gz FTEDJDHAQDPNFW-UHFFFAOYSA-N 1 2 391.273 2.491 20 0 GEADLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 ZINC000330674118 532825209 /nfs/dbraw/zinc/82/52/09/532825209.db2.gz ZIALHZKZLZRFHU-LLVKDONJSA-N 1 2 397.324 2.079 20 0 GEADLO CC(C)CN(C)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000330687297 532825480 /nfs/dbraw/zinc/82/54/80/532825480.db2.gz BVUACXAHGSIYML-DLBZAZTESA-N 1 2 389.949 2.134 20 0 GEADLO CC(C)CN(C)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000330687297 532825481 /nfs/dbraw/zinc/82/54/81/532825481.db2.gz BVUACXAHGSIYML-DLBZAZTESA-N 1 2 389.949 2.134 20 0 GEADLO Cc1cccn2cc(CS(=O)(=O)Cc3nn(C)cc3Br)[nH+]c12 ZINC000414420084 532826041 /nfs/dbraw/zinc/82/60/41/532826041.db2.gz UWWIUUWWUNYPOF-UHFFFAOYSA-N 1 2 383.271 2.254 20 0 GEADLO CCN(Cc1c[nH+]c2c(C)cc(Br)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000273534854 532826109 /nfs/dbraw/zinc/82/61/09/532826109.db2.gz SFXIHZGRSIZTAY-CYBMUJFWSA-N 1 2 386.315 2.414 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)CC1 ZINC000288473192 532828543 /nfs/dbraw/zinc/82/85/43/532828543.db2.gz QNHPZPGXZKMZFP-GFCCVEGCSA-N 1 2 380.432 2.002 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@H](CO)C3)[nH+]c12 ZINC000273582288 532827251 /nfs/dbraw/zinc/82/72/51/532827251.db2.gz PDICJCCUIQYYGD-ZDUSSCGKSA-N 1 2 395.301 2.362 20 0 GEADLO Cn1ncc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1Br ZINC000273605630 532828153 /nfs/dbraw/zinc/82/81/53/532828153.db2.gz KJKQLPXRYRTRIX-UHFFFAOYSA-N 1 2 381.249 2.280 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)c(F)c1Cl ZINC000414463158 532828847 /nfs/dbraw/zinc/82/88/47/532828847.db2.gz JRGGWGVPKDALIX-JQWIXIFHSA-N 1 2 395.859 2.338 20 0 GEADLO C[C@@H](CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)Oc1ccc(Br)cc1 ZINC000288520988 532829696 /nfs/dbraw/zinc/82/96/96/532829696.db2.gz XNCQKDIVOCPYRF-HZMBPMFUSA-N 1 2 393.241 2.103 20 0 GEADLO C[C@@H](CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)Oc1ccc(Br)cc1 ZINC000288520988 532829698 /nfs/dbraw/zinc/82/96/98/532829698.db2.gz XNCQKDIVOCPYRF-HZMBPMFUSA-N 1 2 393.241 2.103 20 0 GEADLO COc1ccc(C[NH+]2CCC(c3nc(=O)[nH][nH]3)CC2)c(Br)c1OC ZINC000288565767 532831410 /nfs/dbraw/zinc/83/14/10/532831410.db2.gz AICPXEXYNNHVFC-UHFFFAOYSA-N 1 2 397.273 2.257 20 0 GEADLO CC(C)[N@@H+](Cc1ncc(I)s1)C[C@@H]1CCC(=O)N1 ZINC000414586741 532832856 /nfs/dbraw/zinc/83/28/56/532832856.db2.gz UTSMXCINCWNDMD-VIFPVBQESA-N 1 2 379.267 2.237 20 0 GEADLO CC(C)[N@H+](Cc1ncc(I)s1)C[C@@H]1CCC(=O)N1 ZINC000414586741 532832859 /nfs/dbraw/zinc/83/28/59/532832859.db2.gz UTSMXCINCWNDMD-VIFPVBQESA-N 1 2 379.267 2.237 20 0 GEADLO CCCOc1c(Br)cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1OC ZINC000414560174 532832724 /nfs/dbraw/zinc/83/27/24/532832724.db2.gz QBSFZLBQXSBYLA-HIFRSBDPSA-N 1 2 388.302 2.422 20 0 GEADLO CCCOc1c(Br)cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)cc1OC ZINC000414560174 532832727 /nfs/dbraw/zinc/83/27/27/532832727.db2.gz QBSFZLBQXSBYLA-HIFRSBDPSA-N 1 2 388.302 2.422 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000331139689 532833948 /nfs/dbraw/zinc/83/39/48/532833948.db2.gz DVBAJHYMLXTUBG-JQWIXIFHSA-N 1 2 394.324 2.334 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000331139689 532833952 /nfs/dbraw/zinc/83/39/52/532833952.db2.gz DVBAJHYMLXTUBG-JQWIXIFHSA-N 1 2 394.324 2.334 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)N1CC[NH+](Cc2ccco2)CC1 ZINC000288771364 532837802 /nfs/dbraw/zinc/83/78/02/532837802.db2.gz GHQFIAQMRHOWHT-UHFFFAOYSA-N 1 2 396.289 2.156 20 0 GEADLO C[C@H]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)C[C@H]1n1cc[nH+]c1 ZINC000331456881 532840252 /nfs/dbraw/zinc/84/02/52/532840252.db2.gz KAXIEIFBYOAVKC-GXTWGEPZSA-N 1 2 382.511 2.141 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2s1 ZINC000331542890 532841049 /nfs/dbraw/zinc/84/10/49/532841049.db2.gz HFBISZWXLODWMD-BETUJISGSA-N 1 2 383.539 2.382 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2s1 ZINC000331542890 532841050 /nfs/dbraw/zinc/84/10/50/532841050.db2.gz HFBISZWXLODWMD-BETUJISGSA-N 1 2 383.539 2.382 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2s1 ZINC000331542947 532841233 /nfs/dbraw/zinc/84/12/33/532841233.db2.gz HFBISZWXLODWMD-CHWSQXEVSA-N 1 2 383.539 2.382 20 0 GEADLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cnn(C)c1Br ZINC000274139351 532841809 /nfs/dbraw/zinc/84/18/09/532841809.db2.gz DMJPCNYBCFXCQJ-UHFFFAOYSA-N 1 2 380.168 2.214 20 0 GEADLO COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000016637777 206257708 /nfs/dbraw/zinc/25/77/08/206257708.db2.gz KRAODHMGCIWSAN-KRWDZBQOSA-N 1 2 394.475 2.100 20 0 GEADLO C[C@@H](C(=O)N1CCCCCC1)S(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000331703431 532843092 /nfs/dbraw/zinc/84/30/92/532843092.db2.gz WKOGIYAMUOKKJA-LBPRGKRZSA-N 1 2 381.420 2.151 20 0 GEADLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)OC)cc3C)sc2C1 ZINC000359941358 206272450 /nfs/dbraw/zinc/27/24/50/206272450.db2.gz LGIZZXBUIRNCDJ-UHFFFAOYSA-N 1 2 395.506 2.417 20 0 GEADLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)OC)cc3C)sc2C1 ZINC000359941358 206272455 /nfs/dbraw/zinc/27/24/55/206272455.db2.gz LGIZZXBUIRNCDJ-UHFFFAOYSA-N 1 2 395.506 2.417 20 0 GEADLO COc1cccc([C@@H](NC(=O)NC[C@H](O)Cc2ccccc2)c2[nH+]ccn2C)c1 ZINC000359926514 206270304 /nfs/dbraw/zinc/27/03/04/206270304.db2.gz HDBJVEOSIMAADI-UYAOXDASSA-N 1 2 394.475 2.421 20 0 GEADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000359925512 206270361 /nfs/dbraw/zinc/27/03/61/206270361.db2.gz AOEQWFVJCMMESR-SFHVURJKSA-N 1 2 389.521 2.159 20 0 GEADLO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc(Br)c1OC(F)F ZINC000359972426 206274794 /nfs/dbraw/zinc/27/47/94/206274794.db2.gz FPOWFRXLCMASFQ-WDEREUQCSA-N 1 2 396.228 2.377 20 0 GEADLO CCOc1cc(C[N@H+]2C[C@H](O)C[C@H]2CO)cc(Br)c1OC(F)F ZINC000359972426 206274798 /nfs/dbraw/zinc/27/47/98/206274798.db2.gz FPOWFRXLCMASFQ-WDEREUQCSA-N 1 2 396.228 2.377 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC000097211845 206302646 /nfs/dbraw/zinc/30/26/46/206302646.db2.gz AWPDDAJGPFBGKD-UHFFFAOYSA-N 1 2 375.300 2.338 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC000097211845 206302651 /nfs/dbraw/zinc/30/26/51/206302651.db2.gz AWPDDAJGPFBGKD-UHFFFAOYSA-N 1 2 375.300 2.338 20 0 GEADLO CO[C@H](C)c1nc(CN(Cc2cn3c([nH+]2)CCCC3)S(C)(=O)=O)cs1 ZINC000331811087 532844923 /nfs/dbraw/zinc/84/49/23/532844923.db2.gz NOPFOLSTVSVNMP-GFCCVEGCSA-N 1 2 384.527 2.345 20 0 GEADLO Cc1cc(NC(=O)C[NH+]2CCN(c3cccc(Br)c3)CC2)n(C)n1 ZINC000331874122 532845934 /nfs/dbraw/zinc/84/59/34/532845934.db2.gz NQKVGOKBXUGNOM-UHFFFAOYSA-N 1 2 392.301 2.252 20 0 GEADLO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274255016 532846416 /nfs/dbraw/zinc/84/64/16/532846416.db2.gz YIKLSQBZSHLRCP-WMLDXEAASA-N 1 2 390.933 2.058 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000331920188 532846695 /nfs/dbraw/zinc/84/66/95/532846695.db2.gz JIXGVIUXLZPAPF-ZDUSSCGKSA-N 1 2 392.301 2.332 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3nc(N)ns3)CC2)c(Br)c1 ZINC000289219779 532849986 /nfs/dbraw/zinc/84/99/86/532849986.db2.gz JFYRWIWWRNUDKT-UHFFFAOYSA-N 1 2 384.303 2.214 20 0 GEADLO COCCc1nc(C[NH2+]C(C)(C)COc2ncccc2Br)no1 ZINC000289339962 532852735 /nfs/dbraw/zinc/85/27/35/532852735.db2.gz JCWUDQWAEXZXLL-UHFFFAOYSA-N 1 2 385.262 2.363 20 0 GEADLO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289407528 532853883 /nfs/dbraw/zinc/85/38/83/532853883.db2.gz LNIXAKPGNSXDQL-SNVBAGLBSA-N 1 2 391.273 2.127 20 0 GEADLO Cn1c2cc(Br)ccc2nc1C[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289407528 532853885 /nfs/dbraw/zinc/85/38/85/532853885.db2.gz LNIXAKPGNSXDQL-SNVBAGLBSA-N 1 2 391.273 2.127 20 0 GEADLO CCN(C1CC[NH+](Cc2cnc(Br)s2)CC1)S(C)(=O)=O ZINC000289502638 532856551 /nfs/dbraw/zinc/85/65/51/532856551.db2.gz DQJLNERJNMRQIE-UHFFFAOYSA-N 1 2 382.349 2.152 20 0 GEADLO Cc1c(Cl)cc(F)c(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1F ZINC000332605324 532857890 /nfs/dbraw/zinc/85/78/90/532857890.db2.gz IVPIKZSWTXYLQB-NSHDSACASA-N 1 2 377.819 2.083 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000289528024 532858121 /nfs/dbraw/zinc/85/81/21/532858121.db2.gz VYCJYDFOWRAKQQ-UHFFFAOYSA-N 1 2 377.304 2.058 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000274901290 532858990 /nfs/dbraw/zinc/85/89/90/532858990.db2.gz SNJRXBGKYSWJNB-SNVBAGLBSA-N 1 2 381.263 2.312 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000274901290 532858993 /nfs/dbraw/zinc/85/89/93/532858993.db2.gz SNJRXBGKYSWJNB-SNVBAGLBSA-N 1 2 381.263 2.312 20 0 GEADLO COC(=O)c1ncsc1S(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000275005490 532861224 /nfs/dbraw/zinc/86/12/24/532861224.db2.gz IBKJNETZGMCQBU-UHFFFAOYSA-N 1 2 381.357 2.082 20 0 GEADLO O=S(=O)(c1cc(Br)c(F)cc1F)N1CCn2c[nH+]cc2C1 ZINC000289644998 532861544 /nfs/dbraw/zinc/86/15/44/532861544.db2.gz SRKGXWBTAINACJ-UHFFFAOYSA-N 1 2 378.198 2.128 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000289638176 532861935 /nfs/dbraw/zinc/86/19/35/532861935.db2.gz CWVQETIXJQUSMJ-CSMYWGQOSA-N 1 2 387.293 2.417 20 0 GEADLO CC[C@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000333050001 532863259 /nfs/dbraw/zinc/86/32/59/532863259.db2.gz BJOFIBJUVOLHRE-LBPRGKRZSA-N 1 2 399.289 2.323 20 0 GEADLO Cn1ncc(C[NH+]2CCC(Oc3ccccc3I)CC2)n1 ZINC000289718107 532863870 /nfs/dbraw/zinc/86/38/70/532863870.db2.gz GRZHSUPGDJJVFJ-UHFFFAOYSA-N 1 2 398.248 2.463 20 0 GEADLO Cn1c(C[NH+]2CCN(c3cccnn3)CC2)nc2ccc(Br)cc21 ZINC000275084437 532863749 /nfs/dbraw/zinc/86/37/49/532863749.db2.gz JDVZEAQQWSJJSB-UHFFFAOYSA-N 1 2 387.285 2.448 20 0 GEADLO CC1(C)CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCS1(=O)=O ZINC000333152160 532865535 /nfs/dbraw/zinc/86/55/35/532865535.db2.gz ASQJANRJAZJYMN-UHFFFAOYSA-N 1 2 384.889 2.096 20 0 GEADLO CN1C(=O)NCC12CC[NH+](Cc1cnc3ccc(Br)cn13)CC2 ZINC000333366128 532867620 /nfs/dbraw/zinc/86/76/20/532867620.db2.gz ICRKMYWTPZLPTC-UHFFFAOYSA-N 1 2 378.274 2.086 20 0 GEADLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1nc(Br)cs1 ZINC000275226423 532869277 /nfs/dbraw/zinc/86/92/77/532869277.db2.gz DLFNDELOSAXJHZ-UHFFFAOYSA-N 1 2 383.271 2.067 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cnc(Br)s1 ZINC000290090337 532872030 /nfs/dbraw/zinc/87/20/30/532872030.db2.gz RFTMGAGBAWZRKG-JTQLQIEISA-N 1 2 382.349 2.199 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cnc(Br)s1 ZINC000290090337 532872033 /nfs/dbraw/zinc/87/20/33/532872033.db2.gz RFTMGAGBAWZRKG-JTQLQIEISA-N 1 2 382.349 2.199 20 0 GEADLO O=S(=O)(C[C@@H]1CCCC1(F)F)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333738544 532872856 /nfs/dbraw/zinc/87/28/56/532872856.db2.gz VHEYJJVFDDOZSA-HNNXBMFYSA-N 1 2 380.501 2.376 20 0 GEADLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)CCOCC2CCCC2)C[C@H](C)O1 ZINC000416376333 532873195 /nfs/dbraw/zinc/87/31/95/532873195.db2.gz ORSMKNVDLOIYSV-IYBDPMFKSA-N 1 2 376.563 2.000 20 0 GEADLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)CCOCC2CCCC2)C[C@H](C)O1 ZINC000416376333 532873197 /nfs/dbraw/zinc/87/31/97/532873197.db2.gz ORSMKNVDLOIYSV-IYBDPMFKSA-N 1 2 376.563 2.000 20 0 GEADLO CC(C)c1nc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cn1C ZINC000416377180 532873646 /nfs/dbraw/zinc/87/36/46/532873646.db2.gz WZPWYDYNXFTZLN-CYBMUJFWSA-N 1 2 382.555 2.330 20 0 GEADLO CC(C)c1nc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cn1C ZINC000416377180 532873651 /nfs/dbraw/zinc/87/36/51/532873651.db2.gz WZPWYDYNXFTZLN-CYBMUJFWSA-N 1 2 382.555 2.330 20 0 GEADLO COC(=O)c1cc(NC(=O)N2CCn3c[nH+]cc3C2)ccc1Br ZINC000290183946 532874783 /nfs/dbraw/zinc/87/47/83/532874783.db2.gz PTHKBUADSDKPQU-UHFFFAOYSA-N 1 2 379.214 2.480 20 0 GEADLO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290247327 532876356 /nfs/dbraw/zinc/87/63/56/532876356.db2.gz AZPHNTDVVMPGIL-UHFFFAOYSA-N 1 2 381.205 2.074 20 0 GEADLO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000290266743 532876384 /nfs/dbraw/zinc/87/63/84/532876384.db2.gz VUJKETKRFFRTSA-ONERCXAPSA-N 1 2 381.274 2.403 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CCC2(CCC2)S(=O)(=O)CC1)c1cccs1 ZINC000334025114 532877540 /nfs/dbraw/zinc/87/75/40/532877540.db2.gz GNPAZYVOFYWAHN-CQSZACIVSA-N 1 2 385.555 2.104 20 0 GEADLO COC(=O)C1CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000290321591 532878114 /nfs/dbraw/zinc/87/81/14/532878114.db2.gz BRWRBZCOYNBHPU-UHFFFAOYSA-N 1 2 379.258 2.415 20 0 GEADLO Cc1nc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)ccc1Br ZINC000290389179 532879399 /nfs/dbraw/zinc/87/93/99/532879399.db2.gz NJROZQBMDZJLSW-TZMCWYRMSA-N 1 2 383.290 2.479 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)c(Br)c1 ZINC000275707341 532881992 /nfs/dbraw/zinc/88/19/92/532881992.db2.gz YRJGXAPRRUQUOF-UHFFFAOYSA-N 1 2 379.258 2.397 20 0 GEADLO Cn1cc(N2CC[NH+](Cc3cn4ccc(Br)cc4n3)CC2)cn1 ZINC000290503635 532882599 /nfs/dbraw/zinc/88/25/99/532882599.db2.gz SRTRILSXJOGYDN-UHFFFAOYSA-N 1 2 375.274 2.153 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)c1 ZINC000420456671 532883600 /nfs/dbraw/zinc/88/36/00/532883600.db2.gz HRXBRIHDBJIDKT-SNVBAGLBSA-N 1 2 384.454 2.361 20 0 GEADLO O=C(C[NH+]1CCN(c2noc3ccc(Br)cc32)CC1)N1CCCC1 ZINC000290543744 532883645 /nfs/dbraw/zinc/88/36/45/532883645.db2.gz PKYOWFRCBDBKKU-UHFFFAOYSA-N 1 2 393.285 2.335 20 0 GEADLO Brc1ccn2cc(CN3CCC[C@@H]3C[NH+]3CCOCC3)nc2c1 ZINC000290445359 532881338 /nfs/dbraw/zinc/88/13/38/532881338.db2.gz ODYGUMRITOXLRS-MRXNPFEDSA-N 1 2 379.302 2.393 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000276034710 532887544 /nfs/dbraw/zinc/88/75/44/532887544.db2.gz MLMVCYJEFYYRSE-LBPRGKRZSA-N 1 2 388.536 2.486 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000420609042 532884198 /nfs/dbraw/zinc/88/41/98/532884198.db2.gz GBOWBTPZRFOGCY-UHFFFAOYSA-N 1 2 399.676 2.122 20 0 GEADLO O=C(C[NH2+]Cc1c(Br)cncc1Br)NCC1CC1 ZINC000290865979 532890863 /nfs/dbraw/zinc/89/08/63/532890863.db2.gz KYRJSRACTPYROJ-UHFFFAOYSA-N 1 2 377.080 2.222 20 0 GEADLO CC(C)(C)c1nc(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cs1 ZINC000360814121 532891387 /nfs/dbraw/zinc/89/13/87/532891387.db2.gz ZWTQRVFEYAGKIU-GOSISDBHSA-N 1 2 383.583 2.307 20 0 GEADLO Cn1cc[nH+]c1-c1cccc(CNC(=O)c2cc(S(C)(=O)=O)cs2)c1 ZINC000360809884 532891450 /nfs/dbraw/zinc/89/14/50/532891450.db2.gz JRQACBVGTOWSHW-UHFFFAOYSA-N 1 2 375.475 2.482 20 0 GEADLO Cc1cccn2cc(CNC(=O)c3cc4c(s3)CCS(=O)(=O)C4)[nH+]c12 ZINC000361256678 532892391 /nfs/dbraw/zinc/89/23/91/532892391.db2.gz CULNFQCLLWILOE-UHFFFAOYSA-N 1 2 375.475 2.105 20 0 GEADLO [NH3+][C@H](C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)c1cscn1 ZINC000423075590 532893499 /nfs/dbraw/zinc/89/34/99/532893499.db2.gz OVUGDFABXYPIHA-OQPBUACISA-N 1 2 376.265 2.006 20 0 GEADLO NC(=O)C1=NO[C@@H](C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000276400122 532895200 /nfs/dbraw/zinc/89/52/00/532895200.db2.gz CZUCQNWTFPHXFT-GFCCVEGCSA-N 1 2 395.282 2.292 20 0 GEADLO C[C@@H]1CSC(SCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)=N1 ZINC000362392934 532896253 /nfs/dbraw/zinc/89/62/53/532896253.db2.gz VQJQFHJHMUWWFV-GDBMZVCRSA-N 1 2 379.551 2.228 20 0 GEADLO C[C@@H]1CSC(SCC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)=N1 ZINC000362392934 532896257 /nfs/dbraw/zinc/89/62/57/532896257.db2.gz VQJQFHJHMUWWFV-GDBMZVCRSA-N 1 2 379.551 2.228 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000362614231 532896623 /nfs/dbraw/zinc/89/66/23/532896623.db2.gz FRUCPRFSFAJEFO-UHFFFAOYSA-N 1 2 377.447 2.199 20 0 GEADLO CC(C)[N@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@@H]1CCOC1 ZINC000291150273 532897018 /nfs/dbraw/zinc/89/70/18/532897018.db2.gz AGYGSHOBEBPJEG-GFCCVEGCSA-N 1 2 376.425 2.121 20 0 GEADLO CC(C)[N@@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@@H]1CCOC1 ZINC000291150273 532897021 /nfs/dbraw/zinc/89/70/21/532897021.db2.gz AGYGSHOBEBPJEG-GFCCVEGCSA-N 1 2 376.425 2.121 20 0 GEADLO CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1[nH]cc[nH+]1 ZINC000276558208 532898102 /nfs/dbraw/zinc/89/81/02/532898102.db2.gz GZSWRPNLMOWMSU-AWEZNQCLSA-N 1 2 384.889 2.441 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1Cl ZINC000363432329 532899076 /nfs/dbraw/zinc/89/90/76/532899076.db2.gz IHVDPRUIIFHZSZ-UHFFFAOYSA-N 1 2 381.885 2.249 20 0 GEADLO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1c[nH+]cn1C ZINC000291481311 532902685 /nfs/dbraw/zinc/90/26/85/532902685.db2.gz QDWDMDNINLHHGY-OAHLLOKOSA-N 1 2 380.901 2.241 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000291484273 532902751 /nfs/dbraw/zinc/90/27/51/532902751.db2.gz QLXDZWJAGREWOI-BXUZGUMPSA-N 1 2 397.269 2.113 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)COc1ccccc1Br ZINC000291499558 532903288 /nfs/dbraw/zinc/90/32/88/532903288.db2.gz RWVCZPLWZINQBR-UKRRQHHQSA-N 1 2 383.286 2.150 20 0 GEADLO Cc1ccc(-n2cnnc2SCC(=O)NCc2c[nH+]cn2C)cc1Cl ZINC000291518947 532903738 /nfs/dbraw/zinc/90/37/38/532903738.db2.gz UURCZXVWCFBPGB-UHFFFAOYSA-N 1 2 376.873 2.371 20 0 GEADLO C[N@H+](CC(=O)NC[C@H]1CCCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000364177876 532904463 /nfs/dbraw/zinc/90/44/63/532904463.db2.gz RBCDTHPWDFREAD-UKRRQHHQSA-N 1 2 383.286 2.500 20 0 GEADLO C[N@@H+](CC(=O)NC[C@H]1CCCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000364177876 532904465 /nfs/dbraw/zinc/90/44/65/532904465.db2.gz RBCDTHPWDFREAD-UKRRQHHQSA-N 1 2 383.286 2.500 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364247492 532905027 /nfs/dbraw/zinc/90/50/27/532905027.db2.gz YYDDTCGVFSHYIA-HNNXBMFYSA-N 1 2 383.286 2.247 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364247492 532905029 /nfs/dbraw/zinc/90/50/29/532905029.db2.gz YYDDTCGVFSHYIA-HNNXBMFYSA-N 1 2 383.286 2.247 20 0 GEADLO O=C([C@H]1CCc2[nH+]ccn2C1)N(CCO)Cc1cc(Br)ccc1F ZINC000364284387 532905956 /nfs/dbraw/zinc/90/59/56/532905956.db2.gz SLEWDFCNROUTPY-LBPRGKRZSA-N 1 2 396.260 2.368 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1cn2ccc(Br)cc2n1 ZINC000291653332 532906387 /nfs/dbraw/zinc/90/63/87/532906387.db2.gz UUHWEVSCIRFRRE-CZUORRHYSA-N 1 2 379.302 2.392 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291861012 532909804 /nfs/dbraw/zinc/90/98/04/532909804.db2.gz PIJBVOFPWCQIED-ZDUSSCGKSA-N 1 2 391.256 2.357 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291861012 532909805 /nfs/dbraw/zinc/90/98/05/532909805.db2.gz PIJBVOFPWCQIED-ZDUSSCGKSA-N 1 2 391.256 2.357 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000291824174 532909112 /nfs/dbraw/zinc/90/91/12/532909112.db2.gz IIZMVCFGQGZIOQ-AWEZNQCLSA-N 1 2 382.251 2.332 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1OC ZINC000292078104 532912706 /nfs/dbraw/zinc/91/27/06/532912706.db2.gz CFOHKGPHCQJLNY-NSHDSACASA-N 1 2 392.315 2.333 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1OC ZINC000292078104 532912708 /nfs/dbraw/zinc/91/27/08/532912708.db2.gz CFOHKGPHCQJLNY-NSHDSACASA-N 1 2 392.315 2.333 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O)c1cccs1 ZINC000366182268 532915116 /nfs/dbraw/zinc/91/51/16/532915116.db2.gz XGRXYXHMICWDGQ-CABCVRRESA-N 1 2 387.571 2.350 20 0 GEADLO O[C@@H](COCC(F)(F)F)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000292358327 532915583 /nfs/dbraw/zinc/91/55/83/532915583.db2.gz FQZZUXIBHNVHNX-LLVKDONJSA-N 1 2 388.217 2.450 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)N=c2nc(-c3ccsc3)[nH]s2)C[C@H](C)O1 ZINC000366073303 532914198 /nfs/dbraw/zinc/91/41/98/532914198.db2.gz NQJFMCQDRGXKKM-TXEJJXNPSA-N 1 2 381.527 2.261 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)N=c2nc(-c3ccsc3)[nH]s2)C[C@H](C)O1 ZINC000366073303 532914199 /nfs/dbraw/zinc/91/41/99/532914199.db2.gz NQJFMCQDRGXKKM-TXEJJXNPSA-N 1 2 381.527 2.261 20 0 GEADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC(n2cncn2)C1 ZINC000366065471 532914247 /nfs/dbraw/zinc/91/42/47/532914247.db2.gz FBROGJXZEICXCL-INIZCTEOSA-N 1 2 390.285 2.261 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O)c1ccsc1 ZINC000366082787 532914358 /nfs/dbraw/zinc/91/43/58/532914358.db2.gz DTDLKQJJZIYCQC-HZPDHXFCSA-N 1 2 387.571 2.350 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CCCC[C@H]1CCS(C)(=O)=O)c1ccsc1 ZINC000366082789 532914428 /nfs/dbraw/zinc/91/44/28/532914428.db2.gz DTDLKQJJZIYCQC-JKSUJKDBSA-N 1 2 387.571 2.350 20 0 GEADLO Cc1c(S(=O)(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cnn1C ZINC000293094246 532921852 /nfs/dbraw/zinc/92/18/52/532921852.db2.gz TWHMDEGANDXLHO-UHFFFAOYSA-N 1 2 382.917 2.279 20 0 GEADLO Cc1c(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cnn1C ZINC000293094246 532921853 /nfs/dbraw/zinc/92/18/53/532921853.db2.gz TWHMDEGANDXLHO-UHFFFAOYSA-N 1 2 382.917 2.279 20 0 GEADLO OCc1cn([C@H]2CCC[N@H+](Cc3cc4c(cc3Br)OCO4)C2)nn1 ZINC000292928803 532920137 /nfs/dbraw/zinc/92/01/37/532920137.db2.gz IVENTHZEHOMDKU-ZDUSSCGKSA-N 1 2 395.257 2.099 20 0 GEADLO OCc1cn([C@H]2CCC[N@@H+](Cc3cc4c(cc3Br)OCO4)C2)nn1 ZINC000292928803 532920138 /nfs/dbraw/zinc/92/01/38/532920138.db2.gz IVENTHZEHOMDKU-ZDUSSCGKSA-N 1 2 395.257 2.099 20 0 GEADLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2C[C@@H](O)COCC(F)(F)F)n1 ZINC000292956229 532920359 /nfs/dbraw/zinc/92/03/59/532920359.db2.gz ORNRTUFJLLKHJT-PWSUYJOCSA-N 1 2 382.404 2.397 20 0 GEADLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2C[C@@H](O)COCC(F)(F)F)n1 ZINC000292956229 532920361 /nfs/dbraw/zinc/92/03/61/532920361.db2.gz ORNRTUFJLLKHJT-PWSUYJOCSA-N 1 2 382.404 2.397 20 0 GEADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@H]1c1cccc(Br)c1 ZINC000366719652 532920653 /nfs/dbraw/zinc/92/06/53/532920653.db2.gz HUQHINNKHXJOLR-WBMJQRKESA-N 1 2 394.313 2.308 20 0 GEADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@H]1c1cccc(Br)c1 ZINC000366719652 532920655 /nfs/dbraw/zinc/92/06/55/532920655.db2.gz HUQHINNKHXJOLR-WBMJQRKESA-N 1 2 394.313 2.308 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000292986641 532920792 /nfs/dbraw/zinc/92/07/92/532920792.db2.gz BUUZGTOHWIRVCC-UHFFFAOYSA-N 1 2 393.285 2.039 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@H]2N1 ZINC000366758068 532921080 /nfs/dbraw/zinc/92/10/80/532921080.db2.gz NVNOSAORQUXRFI-KGLIPLIRSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@H]2N1 ZINC000366758068 532921081 /nfs/dbraw/zinc/92/10/81/532921081.db2.gz NVNOSAORQUXRFI-KGLIPLIRSA-N 1 2 392.253 2.193 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](CO)CC1)Nc1ccccc1I ZINC000293014823 532921108 /nfs/dbraw/zinc/92/11/08/532921108.db2.gz DZJNHMSDYZLRCY-GFCCVEGCSA-N 1 2 388.249 2.324 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](CO)CC1)Nc1ccccc1I ZINC000293014823 532921110 /nfs/dbraw/zinc/92/11/10/532921110.db2.gz DZJNHMSDYZLRCY-GFCCVEGCSA-N 1 2 388.249 2.324 20 0 GEADLO Cn1cc(Br)c(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)n1 ZINC000293029593 532921344 /nfs/dbraw/zinc/92/13/44/532921344.db2.gz VZWVAKBYERCVRN-KRWDZBQOSA-N 1 2 379.302 2.346 20 0 GEADLO CS(=O)(=O)C1(CNC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000366858514 532921589 /nfs/dbraw/zinc/92/15/89/532921589.db2.gz PKLGQHDEXUBWQP-UHFFFAOYSA-N 1 2 390.958 2.307 20 0 GEADLO CN(CCCn1cc[nH+]c1)c1cnn(-c2ccccn2)c(=O)c1Br ZINC000293095989 532921801 /nfs/dbraw/zinc/92/18/01/532921801.db2.gz OZPQAGXRZBAZRU-UHFFFAOYSA-N 1 2 389.257 2.113 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)NCCCCn1cc(Br)cn1 ZINC000293302763 532925072 /nfs/dbraw/zinc/92/50/72/532925072.db2.gz ILTVUSGOBQCGPW-UHFFFAOYSA-N 1 2 382.262 2.329 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000367143402 532923125 /nfs/dbraw/zinc/92/31/25/532923125.db2.gz HXUUXBNGENEHQF-SWLSCSKDSA-N 1 2 378.778 2.164 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000367143402 532923126 /nfs/dbraw/zinc/92/31/26/532923126.db2.gz HXUUXBNGENEHQF-SWLSCSKDSA-N 1 2 378.778 2.164 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000367214140 532923622 /nfs/dbraw/zinc/92/36/22/532923622.db2.gz RAJFWIWUPPUWPL-WFASDCNBSA-N 1 2 390.285 2.227 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000367214140 532923623 /nfs/dbraw/zinc/92/36/23/532923623.db2.gz RAJFWIWUPPUWPL-WFASDCNBSA-N 1 2 390.285 2.227 20 0 GEADLO COc1ccc(Br)c(CC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000367737416 532926977 /nfs/dbraw/zinc/92/69/77/532926977.db2.gz HSEOMHHHNUPZMG-ZFWWWQNUSA-N 1 2 397.313 2.322 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000367956030 532929085 /nfs/dbraw/zinc/92/90/85/532929085.db2.gz LSZMKHRRVSKZED-UHFFFAOYSA-N 1 2 397.875 2.256 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000367956030 532929087 /nfs/dbraw/zinc/92/90/87/532929087.db2.gz LSZMKHRRVSKZED-UHFFFAOYSA-N 1 2 397.875 2.256 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1ncc(I)s1 ZINC000367955746 532929103 /nfs/dbraw/zinc/92/91/03/532929103.db2.gz LBAFKXJLSCJKQG-GHMZBOCLSA-N 1 2 393.294 2.043 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3c(Cl)cccc3C(F)(F)F)C[C@@H]21 ZINC000368012410 532929295 /nfs/dbraw/zinc/92/92/95/532929295.db2.gz RYBBVLNOUDFEGE-QWHCGFSZSA-N 1 2 377.794 2.312 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3c(Cl)cccc3C(F)(F)F)C[C@@H]21 ZINC000368012410 532929297 /nfs/dbraw/zinc/92/92/97/532929297.db2.gz RYBBVLNOUDFEGE-QWHCGFSZSA-N 1 2 377.794 2.312 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ncc(I)s1 ZINC000368046514 532929862 /nfs/dbraw/zinc/92/98/62/532929862.db2.gz YRPOHQXQAHMFAG-WDEREUQCSA-N 1 2 393.294 2.043 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2ccnc(Br)c2)CC1 ZINC000293661882 532930046 /nfs/dbraw/zinc/93/00/46/532930046.db2.gz YTFDNYIZMZARHP-UHFFFAOYSA-N 1 2 376.320 2.138 20 0 GEADLO O=C1[C@H]([N@@H+]2CCO[C@]3(CCCOC3)C2)CCN1c1cccc(Br)c1 ZINC000367513230 532925818 /nfs/dbraw/zinc/92/58/18/532925818.db2.gz KASFYJVWCLPQFF-SJLPKXTDSA-N 1 2 395.297 2.436 20 0 GEADLO O=C1[C@H]([N@H+]2CCO[C@]3(CCCOC3)C2)CCN1c1cccc(Br)c1 ZINC000367513230 532925820 /nfs/dbraw/zinc/92/58/20/532925820.db2.gz KASFYJVWCLPQFF-SJLPKXTDSA-N 1 2 395.297 2.436 20 0 GEADLO COc1ccc(Br)cc1NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368364036 532932019 /nfs/dbraw/zinc/93/20/19/532932019.db2.gz VBLQFJBYSJLVEI-CYBMUJFWSA-N 1 2 384.274 2.442 20 0 GEADLO COc1ccc(Br)cc1NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368364036 532932021 /nfs/dbraw/zinc/93/20/21/532932021.db2.gz VBLQFJBYSJLVEI-CYBMUJFWSA-N 1 2 384.274 2.442 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c(Br)c1O ZINC000293749438 532930810 /nfs/dbraw/zinc/93/08/10/532930810.db2.gz WQYSXLRRULKSCE-ZDUSSCGKSA-N 1 2 397.273 2.084 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c(Br)c1O ZINC000293749438 532930811 /nfs/dbraw/zinc/93/08/11/532930811.db2.gz WQYSXLRRULKSCE-ZDUSSCGKSA-N 1 2 397.273 2.084 20 0 GEADLO C[C@H](c1ccc(Br)cc1)[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000368225012 532930930 /nfs/dbraw/zinc/93/09/30/532930930.db2.gz LNZATNDLVRZGTD-CYBMUJFWSA-N 1 2 390.347 2.324 20 0 GEADLO C[C@H](c1ccc(Br)cc1)[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000368225012 532930931 /nfs/dbraw/zinc/93/09/31/532930931.db2.gz LNZATNDLVRZGTD-CYBMUJFWSA-N 1 2 390.347 2.324 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc2s1 ZINC000368312810 532931322 /nfs/dbraw/zinc/93/13/22/532931322.db2.gz AURHLSCSXKMXLX-CQSZACIVSA-N 1 2 381.523 2.090 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(Br)cc1 ZINC000368748660 532934058 /nfs/dbraw/zinc/93/40/58/532934058.db2.gz LBLYWXWGWUUDMP-UHFFFAOYSA-N 1 2 391.269 2.279 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000368802967 532934621 /nfs/dbraw/zinc/93/46/21/532934621.db2.gz ADCFCKGVPXSYOD-LBPRGKRZSA-N 1 2 382.258 2.167 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000368802967 532934622 /nfs/dbraw/zinc/93/46/22/532934622.db2.gz ADCFCKGVPXSYOD-LBPRGKRZSA-N 1 2 382.258 2.167 20 0 GEADLO C[C@@H](C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCN(C)CC1 ZINC000294013448 532934706 /nfs/dbraw/zinc/93/47/06/532934706.db2.gz IUQAWJSHEPABBU-LBPRGKRZSA-N 1 2 387.311 2.074 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(F)cc3Br)C2)nn1 ZINC000368856060 532934744 /nfs/dbraw/zinc/93/47/44/532934744.db2.gz VDHSBTDLAXMOCD-GFCCVEGCSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc(F)cc3Br)C2)nn1 ZINC000368856060 532934745 /nfs/dbraw/zinc/93/47/45/532934745.db2.gz VDHSBTDLAXMOCD-GFCCVEGCSA-N 1 2 383.221 2.413 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)Nc3ccccc3Br)CC2)CCCC1 ZINC000369095556 532937050 /nfs/dbraw/zinc/93/70/50/532937050.db2.gz CSXQBYROLHTQIU-UHFFFAOYSA-N 1 2 395.301 2.397 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cc(N(C)C)c1 ZINC000294298641 532937497 /nfs/dbraw/zinc/93/74/97/532937497.db2.gz QRROMQGHFXEOAI-CXAGYDPISA-N 1 2 396.329 2.450 20 0 GEADLO O=C(Cc1ccccc1Br)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000369013865 532936125 /nfs/dbraw/zinc/93/61/25/532936125.db2.gz QAVSQERCPLTTHA-UHFFFAOYSA-N 1 2 393.285 2.159 20 0 GEADLO CCC(=O)N1CSC[C@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000294157307 532936274 /nfs/dbraw/zinc/93/62/74/532936274.db2.gz BPTFWVHBKLDHSJ-HNNXBMFYSA-N 1 2 378.885 2.453 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cncc(I)c2)C1 ZINC000369353822 532938895 /nfs/dbraw/zinc/93/88/95/532938895.db2.gz OXIGHDUZWKVRFD-NSHDSACASA-N 1 2 396.232 2.440 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)[C@H]1c1cccc(Cl)c1 ZINC000369357028 532939029 /nfs/dbraw/zinc/93/90/29/532939029.db2.gz DHDBFBUJHPOLCC-DDUZABMNSA-N 1 2 384.929 2.274 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)[C@H]1c1cccc(Cl)c1 ZINC000369357028 532939032 /nfs/dbraw/zinc/93/90/32/532939032.db2.gz DHDBFBUJHPOLCC-DDUZABMNSA-N 1 2 384.929 2.274 20 0 GEADLO COC(=O)[C@H](NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cccc(Cl)c1 ZINC000369404092 532939212 /nfs/dbraw/zinc/93/92/12/532939212.db2.gz OTWSSBUEELERPH-AEFFLSMTSA-N 1 2 384.929 2.352 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)[nH+]cc2C)s1 ZINC000370341991 532942962 /nfs/dbraw/zinc/94/29/62/532942962.db2.gz RXPGLOZBNFQUTB-HNNXBMFYSA-N 1 2 379.507 2.282 20 0 GEADLO Cc1cc2cc(C(=O)N3CCC[N@H+](CC(N)=O)CC3)oc2c(Br)c1 ZINC000370335280 532942968 /nfs/dbraw/zinc/94/29/68/532942968.db2.gz RPRCHBQITYKSJR-UHFFFAOYSA-N 1 2 394.269 2.137 20 0 GEADLO Cc1cc2cc(C(=O)N3CCC[N@@H+](CC(N)=O)CC3)oc2c(Br)c1 ZINC000370335280 532942969 /nfs/dbraw/zinc/94/29/69/532942969.db2.gz RPRCHBQITYKSJR-UHFFFAOYSA-N 1 2 394.269 2.137 20 0 GEADLO CCS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000370353727 532943055 /nfs/dbraw/zinc/94/30/55/532943055.db2.gz RLNOVNZPBSDIBL-HRCADAONSA-N 1 2 376.588 2.018 20 0 GEADLO CCS[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000370353727 532943056 /nfs/dbraw/zinc/94/30/56/532943056.db2.gz RLNOVNZPBSDIBL-HRCADAONSA-N 1 2 376.588 2.018 20 0 GEADLO Cc1nc(C[NH+]2CCC(n3cc(NS(=O)(=O)C(F)F)cn3)CC2)cs1 ZINC000370373773 532943064 /nfs/dbraw/zinc/94/30/64/532943064.db2.gz HICXWJDZOJSEBB-UHFFFAOYSA-N 1 2 391.469 2.449 20 0 GEADLO O=C(Nc1ccc(Br)cc1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000370353998 532943135 /nfs/dbraw/zinc/94/31/35/532943135.db2.gz WCCQQBYGRYPOFO-HNNXBMFYSA-N 1 2 395.301 2.267 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCc2nnc(N)cc2C1 ZINC000370791041 532945367 /nfs/dbraw/zinc/94/53/67/532945367.db2.gz TYEBVSAJIPMJCN-UHFFFAOYSA-N 1 2 380.279 2.382 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCc2nnc(N)cc2C1 ZINC000370791041 532945368 /nfs/dbraw/zinc/94/53/68/532945368.db2.gz TYEBVSAJIPMJCN-UHFFFAOYSA-N 1 2 380.279 2.382 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)c3ccccc3Br)CC2)CCCC1 ZINC000370797220 532945403 /nfs/dbraw/zinc/94/54/03/532945403.db2.gz ZJVPWPHNOUPTFP-UHFFFAOYSA-N 1 2 380.286 2.005 20 0 GEADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000370966948 532946325 /nfs/dbraw/zinc/94/63/25/532946325.db2.gz WRWYDCDBIIIBKD-LBPRGKRZSA-N 1 2 384.889 2.267 20 0 GEADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000370966948 532946326 /nfs/dbraw/zinc/94/63/26/532946326.db2.gz WRWYDCDBIIIBKD-LBPRGKRZSA-N 1 2 384.889 2.267 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)c1ccc(Br)cc1 ZINC000370554573 532944238 /nfs/dbraw/zinc/94/42/38/532944238.db2.gz CQHSYPXUEGELPO-KRWDZBQOSA-N 1 2 383.286 2.060 20 0 GEADLO Cc1nc([C@H]2COCCN2Cc2c[nH+]c3ccc(Br)cn23)no1 ZINC000371551966 532948685 /nfs/dbraw/zinc/94/86/85/532948685.db2.gz GYRMZICAKSNFLN-CYBMUJFWSA-N 1 2 378.230 2.362 20 0 GEADLO C[N@@H+]1CCN(C2CCN(C(=O)CSc3ccc(Cl)cc3)CC2)C(=O)C1 ZINC000371576340 532948707 /nfs/dbraw/zinc/94/87/07/532948707.db2.gz VZTLIGHMNNHNCZ-UHFFFAOYSA-N 1 2 381.929 2.197 20 0 GEADLO C[N@H+]1CCN(C2CCN(C(=O)CSc3ccc(Cl)cc3)CC2)C(=O)C1 ZINC000371576340 532948708 /nfs/dbraw/zinc/94/87/08/532948708.db2.gz VZTLIGHMNNHNCZ-UHFFFAOYSA-N 1 2 381.929 2.197 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccccc1F ZINC000012575422 570875235 /nfs/dbraw/zinc/87/52/35/570875235.db2.gz HSAOSGHPJDNIMD-FQEVSTJZSA-N 1 2 394.406 2.190 20 0 GEADLO O=C(CCn1cc[nH+]c1)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000737862974 598836430 /nfs/dbraw/zinc/83/64/30/598836430.db2.gz QICSEQWTNZNCGL-UHFFFAOYSA-N 1 2 379.449 2.498 20 0 GEADLO COC[C@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000736970736 598855288 /nfs/dbraw/zinc/85/52/88/598855288.db2.gz FAYKHWQMQSJUHH-JTQLQIEISA-N 1 2 376.367 2.489 20 0 GEADLO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000736900254 598860803 /nfs/dbraw/zinc/86/08/03/598860803.db2.gz DKMAOAIKECLZGA-FUHWJXTLSA-N 1 2 393.451 2.059 20 0 GEADLO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000736900254 598860804 /nfs/dbraw/zinc/86/08/04/598860804.db2.gz DKMAOAIKECLZGA-FUHWJXTLSA-N 1 2 393.451 2.059 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736205736 598934126 /nfs/dbraw/zinc/93/41/26/598934126.db2.gz YHIFDYPSEGTEDM-FDMDGMSGSA-N 1 2 389.463 2.180 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000737226329 598996921 /nfs/dbraw/zinc/99/69/21/598996921.db2.gz VTZQVBODGIAXAY-UHFFFAOYSA-N 1 2 382.405 2.129 20 0 GEADLO C[C@@H](C(=O)OCc1ccc(F)cc1-c1nn[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000735572962 599016000 /nfs/dbraw/zinc/01/60/00/599016000.db2.gz ZGOZRJWYLSGNSX-ZDUSSCGKSA-N 1 2 381.411 2.496 20 0 GEADLO C[C@@H](C(=O)OCc1ccc(F)cc1-c1nn[nH]n1)[N@H+]1CCc2ccccc2C1 ZINC000735572962 599016003 /nfs/dbraw/zinc/01/60/03/599016003.db2.gz ZGOZRJWYLSGNSX-ZDUSSCGKSA-N 1 2 381.411 2.496 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4nn[nH]n4)nc3)CC2)cc1 ZINC000735923558 599019191 /nfs/dbraw/zinc/01/91/91/599019191.db2.gz MKHGOPQWRJWGNQ-UHFFFAOYSA-N 1 2 391.479 2.343 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000737289887 599035614 /nfs/dbraw/zinc/03/56/14/599035614.db2.gz ADKUJNNCGKDBSW-GOSISDBHSA-N 1 2 378.436 2.015 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000737289887 599035618 /nfs/dbraw/zinc/03/56/18/599035618.db2.gz ADKUJNNCGKDBSW-GOSISDBHSA-N 1 2 378.436 2.015 20 0 GEADLO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736818773 599064984 /nfs/dbraw/zinc/06/49/84/599064984.db2.gz BBIHOLSEAWJMLS-OAHLLOKOSA-N 1 2 388.378 2.127 20 0 GEADLO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736818773 599064987 /nfs/dbraw/zinc/06/49/87/599064987.db2.gz BBIHOLSEAWJMLS-OAHLLOKOSA-N 1 2 388.378 2.127 20 0 GEADLO C[N@H+](CCOc1ccccc1Cl)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736803732 599066953 /nfs/dbraw/zinc/06/69/53/599066953.db2.gz AIBHVLHLCJVGJC-MRXNPFEDSA-N 1 2 386.843 2.057 20 0 GEADLO C[N@@H+](CCOc1ccccc1Cl)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736803732 599066957 /nfs/dbraw/zinc/06/69/57/599066957.db2.gz AIBHVLHLCJVGJC-MRXNPFEDSA-N 1 2 386.843 2.057 20 0 GEADLO NC(=O)[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737183 599090072 /nfs/dbraw/zinc/09/00/72/599090072.db2.gz OZYFNWBZXVOJLR-AWEZNQCLSA-N 1 2 392.341 2.082 20 0 GEADLO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000735873483 599204386 /nfs/dbraw/zinc/20/43/86/599204386.db2.gz FHKQOGCJPHRBGF-HXUWFJFHSA-N 1 2 384.484 2.456 20 0 GEADLO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000735873483 599204387 /nfs/dbraw/zinc/20/43/87/599204387.db2.gz FHKQOGCJPHRBGF-HXUWFJFHSA-N 1 2 384.484 2.456 20 0 GEADLO CCC(CC)[C@@H](C(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCOCC1 ZINC000736338597 599238564 /nfs/dbraw/zinc/23/85/64/599238564.db2.gz YOXVVTHTNYTCNI-KDOFPFPSSA-N 1 2 386.500 2.181 20 0 GEADLO C[C@H](CNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)Cn1cc[nH+]c1 ZINC000736008088 599274761 /nfs/dbraw/zinc/27/47/61/599274761.db2.gz GFTTVLHPJHFEBN-OAHLLOKOSA-N 1 2 383.456 2.065 20 0 GEADLO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735827971 598254417 /nfs/dbraw/zinc/25/44/17/598254417.db2.gz VXAIXBVJHHXXMO-UHFFFAOYSA-N 1 2 399.543 2.129 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000735565002 598257487 /nfs/dbraw/zinc/25/74/87/598257487.db2.gz ZZDZGXNSMMPIEG-AUUYWEPGSA-N 1 2 392.463 2.440 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000735565002 598257488 /nfs/dbraw/zinc/25/74/88/598257488.db2.gz ZZDZGXNSMMPIEG-AUUYWEPGSA-N 1 2 392.463 2.440 20 0 GEADLO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000736696175 598285786 /nfs/dbraw/zinc/28/57/86/598285786.db2.gz WRQIXJOEKQJJAP-MRXNPFEDSA-N 1 2 376.424 2.085 20 0 GEADLO O=C(C[N@@H+]1CCCO[C@H](c2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737873740 598312286 /nfs/dbraw/zinc/31/22/86/598312286.db2.gz PIDBLJPKPAAAPG-HNNXBMFYSA-N 1 2 384.465 2.330 20 0 GEADLO O=C(C[N@H+]1CCCO[C@H](c2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737873740 598312288 /nfs/dbraw/zinc/31/22/88/598312288.db2.gz PIDBLJPKPAAAPG-HNNXBMFYSA-N 1 2 384.465 2.330 20 0 GEADLO C[C@H](c1nc(C2CC2)no1)N1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736203344 598365909 /nfs/dbraw/zinc/36/59/09/598365909.db2.gz MYINZIGWJDBLNY-GFCCVEGCSA-N 1 2 398.446 2.145 20 0 GEADLO CC(C)(C)n1cc(CN2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)cn1 ZINC000735660544 598366035 /nfs/dbraw/zinc/36/60/35/598366035.db2.gz CSXKFVAEYNFKMK-UHFFFAOYSA-N 1 2 398.490 2.275 20 0 GEADLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@H]2CCOC2)c1-c1nn[nH]n1 ZINC000737203555 598406463 /nfs/dbraw/zinc/40/64/63/598406463.db2.gz VKAHOMUXXPUZMR-HNNXBMFYSA-N 1 2 387.488 2.059 20 0 GEADLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@H]2CCOC2)c1-c1nn[nH]n1 ZINC000737203555 598406466 /nfs/dbraw/zinc/40/64/66/598406466.db2.gz VKAHOMUXXPUZMR-HNNXBMFYSA-N 1 2 387.488 2.059 20 0 GEADLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@@H]2CCOC2)c1-c1nn[nH]n1 ZINC000737203567 598406496 /nfs/dbraw/zinc/40/64/96/598406496.db2.gz VKAHOMUXXPUZMR-OAHLLOKOSA-N 1 2 387.488 2.059 20 0 GEADLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@@H]2CCOC2)c1-c1nn[nH]n1 ZINC000737203567 598406498 /nfs/dbraw/zinc/40/64/98/598406498.db2.gz VKAHOMUXXPUZMR-OAHLLOKOSA-N 1 2 387.488 2.059 20 0 GEADLO c1cc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc2c1OCC2 ZINC000738411411 598454063 /nfs/dbraw/zinc/45/40/63/598454063.db2.gz DSPPMVMNTXLBES-UHFFFAOYSA-N 1 2 376.464 2.119 20 0 GEADLO Cc1nc(C)n([C@H]2CCCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)n1 ZINC000737472955 599294052 /nfs/dbraw/zinc/29/40/52/599294052.db2.gz CCNSIZVSSKQQNI-AWEZNQCLSA-N 1 2 375.440 2.465 20 0 GEADLO c1ccc(NCCOc2cccc(-c3nn[nH]n3)c2)c(C[NH+]2CCOCC2)c1 ZINC000738419843 599329227 /nfs/dbraw/zinc/32/92/27/599329227.db2.gz RRXSSSASDBVLMX-UHFFFAOYSA-N 1 2 380.452 2.190 20 0 GEADLO COc1ccc(C[NH2+][C@H](c2nccn2C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821803227 599401394 /nfs/dbraw/zinc/40/13/94/599401394.db2.gz DLYMBOJWFHQFGR-SFHVURJKSA-N 1 2 375.436 2.488 20 0 GEADLO CCOC(=O)N[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)C1 ZINC000821334552 599480208 /nfs/dbraw/zinc/48/02/08/599480208.db2.gz NVHVZWRRIFBJQF-CYBMUJFWSA-N 1 2 381.440 2.438 20 0 GEADLO O=C1[C@H]([N@@H+]2CCOC3(CCCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504048 599641914 /nfs/dbraw/zinc/64/19/14/599641914.db2.gz LGWXNCYTEKPBBI-QGZVFWFLSA-N 1 2 382.468 2.007 20 0 GEADLO O=C1[C@H]([N@H+]2CCOC3(CCCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504048 599641915 /nfs/dbraw/zinc/64/19/15/599641915.db2.gz LGWXNCYTEKPBBI-QGZVFWFLSA-N 1 2 382.468 2.007 20 0 GEADLO O=C(NCC(C1CC1)C1CC1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823162006 599680453 /nfs/dbraw/zinc/68/04/53/599680453.db2.gz RHVMDXPWWKZFDY-UHFFFAOYSA-N 1 2 395.511 2.130 20 0 GEADLO O=C([O-])CC1CC[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000738563919 599711944 /nfs/dbraw/zinc/71/19/44/599711944.db2.gz CEXBEJPRQRREPW-UHFFFAOYSA-N 1 2 391.537 2.361 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000736202953 600432406 /nfs/dbraw/zinc/43/24/06/600432406.db2.gz APAVJTNSKAJYHZ-ROUUACIJSA-N 1 2 379.545 2.286 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000736202953 600432408 /nfs/dbraw/zinc/43/24/08/600432408.db2.gz APAVJTNSKAJYHZ-ROUUACIJSA-N 1 2 379.545 2.286 20 0 GEADLO Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3C(=O)[O-])C2)[nH+]1 ZINC000738735331 600471308 /nfs/dbraw/zinc/47/13/08/600471308.db2.gz AISMLYYEPLGPBR-INIZCTEOSA-N 1 2 382.464 2.485 20 0 GEADLO Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N(C)c3ccccc3C(=O)[O-])C2)[nH+]1 ZINC000738735331 600471313 /nfs/dbraw/zinc/47/13/13/600471313.db2.gz AISMLYYEPLGPBR-INIZCTEOSA-N 1 2 382.464 2.485 20 0 GEADLO Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c12 ZINC000738363848 600498393 /nfs/dbraw/zinc/49/83/93/600498393.db2.gz OGZFHYCZILSBEB-CYBMUJFWSA-N 1 2 389.525 2.009 20 0 GEADLO Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c12 ZINC000738363848 600498394 /nfs/dbraw/zinc/49/83/94/600498394.db2.gz OGZFHYCZILSBEB-CYBMUJFWSA-N 1 2 389.525 2.009 20 0 GEADLO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000824255440 607461630 /nfs/dbraw/zinc/46/16/30/607461630.db2.gz JVDGBSMHWSLISF-QGZVFWFLSA-N 1 2 379.468 2.310 20 0 GEADLO CCCOc1ccc2c(c1)CC[N@H+]([C@@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000825341890 607473492 /nfs/dbraw/zinc/47/34/92/607473492.db2.gz MHIVURLVNHOCSI-LJQANCHMSA-N 1 2 392.463 2.240 20 0 GEADLO CCCOc1ccc2c(c1)CC[N@@H+]([C@@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000825341890 607473493 /nfs/dbraw/zinc/47/34/93/607473493.db2.gz MHIVURLVNHOCSI-LJQANCHMSA-N 1 2 392.463 2.240 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000830923352 601035323 /nfs/dbraw/zinc/03/53/23/601035323.db2.gz HSMPLFFTXAUQMO-UHFFFAOYSA-N 1 2 392.500 2.030 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000830923352 601035325 /nfs/dbraw/zinc/03/53/25/601035325.db2.gz HSMPLFFTXAUQMO-UHFFFAOYSA-N 1 2 392.500 2.030 20 0 GEADLO C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000827356779 601291299 /nfs/dbraw/zinc/29/12/99/601291299.db2.gz TXOXYWJAYJAUAQ-LPHOPBHVSA-N 1 2 391.487 2.188 20 0 GEADLO C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000827356779 601291300 /nfs/dbraw/zinc/29/13/00/601291300.db2.gz TXOXYWJAYJAUAQ-LPHOPBHVSA-N 1 2 391.487 2.188 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](C(=O)[O-])[C@H](C)C3)CC2)cc1 ZINC000827124200 601512710 /nfs/dbraw/zinc/51/27/10/601512710.db2.gz LJKQFRQUFBREBH-XLIONFOSSA-N 1 2 387.524 2.107 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](C(=O)[O-])[C@H](C)C3)CC2)cc1 ZINC000827124200 601512711 /nfs/dbraw/zinc/51/27/11/601512711.db2.gz LJKQFRQUFBREBH-XLIONFOSSA-N 1 2 387.524 2.107 20 0 GEADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000825395693 607514958 /nfs/dbraw/zinc/51/49/58/607514958.db2.gz UQVVLQRKTXYAEP-UHFFFAOYSA-N 1 2 396.451 2.345 20 0 GEADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000825395693 607514960 /nfs/dbraw/zinc/51/49/60/607514960.db2.gz UQVVLQRKTXYAEP-UHFFFAOYSA-N 1 2 396.451 2.345 20 0 GEADLO COc1cccc([C@@H]2C[N@H+](Cc3ccc(OC)c(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826215181 607516163 /nfs/dbraw/zinc/51/61/63/607516163.db2.gz IPAUOQGCMLCFNV-IBGZPJMESA-N 1 2 381.436 2.457 20 0 GEADLO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(OC)c(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826215181 607516164 /nfs/dbraw/zinc/51/61/64/607516164.db2.gz IPAUOQGCMLCFNV-IBGZPJMESA-N 1 2 381.436 2.457 20 0 GEADLO O=C(OCc1ccccc1)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000826466597 607524426 /nfs/dbraw/zinc/52/44/26/607524426.db2.gz KYFCNZZHIQEVIS-UHFFFAOYSA-N 1 2 378.436 2.321 20 0 GEADLO O=C(c1ccc(F)cc1O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826473361 607563406 /nfs/dbraw/zinc/56/34/06/607563406.db2.gz UYRLZRPBXWRWEB-UHFFFAOYSA-N 1 2 396.426 2.060 20 0 GEADLO O=C(c1ccc(F)cc1O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826473361 607563408 /nfs/dbraw/zinc/56/34/08/607563408.db2.gz UYRLZRPBXWRWEB-UHFFFAOYSA-N 1 2 396.426 2.060 20 0 GEADLO C[NH+]1CCC(CNC(=O)Cc2ccc(NC(=O)[O-])cc2)([NH+]2CCCCC2)CC1 ZINC000739729165 602816407 /nfs/dbraw/zinc/81/64/07/602816407.db2.gz FUFJUKDPVRDJFN-UHFFFAOYSA-N 1 2 388.512 2.386 20 0 GEADLO Cc1[nH+]ccn1CCNC(=O)c1cnc2ccc(Br)cc2c1O ZINC000444139807 649937675 /nfs/dbraw/zinc/93/76/75/649937675.db2.gz GYQGPZGYWIZWMD-UHFFFAOYSA-N 1 2 375.226 2.226 20 0 GEADLO Cc1[nH+]ccn1CCNC(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000444139807 649937681 /nfs/dbraw/zinc/93/76/81/649937681.db2.gz GYQGPZGYWIZWMD-UHFFFAOYSA-N 1 2 375.226 2.226 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000826250164 607650377 /nfs/dbraw/zinc/65/03/77/607650377.db2.gz NQDXJOLMMJPDTR-UHFFFAOYSA-N 1 2 378.436 2.260 20 0 GEADLO O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000832758113 604036315 /nfs/dbraw/zinc/03/63/15/604036315.db2.gz XASJKJAAXOUCAD-PMACEKPBSA-N 1 2 375.513 2.177 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000444379323 649948059 /nfs/dbraw/zinc/94/80/59/649948059.db2.gz FHRUZXILVWNZLF-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000248535452 604961243 /nfs/dbraw/zinc/96/12/43/604961243.db2.gz KERQWDLSNPTQLC-JQHSSLGASA-N 1 2 391.537 2.110 20 0 GEADLO O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000248535452 604961247 /nfs/dbraw/zinc/96/12/47/604961247.db2.gz KERQWDLSNPTQLC-JQHSSLGASA-N 1 2 391.537 2.110 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000444660673 649951685 /nfs/dbraw/zinc/95/16/85/649951685.db2.gz KFGGXSFAJYPTCL-LBPRGKRZSA-N 1 2 381.885 2.497 20 0 GEADLO O=C([O-])N1CCC(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CC1 ZINC000831889162 605252128 /nfs/dbraw/zinc/25/21/28/605252128.db2.gz SHSPUKJGCBNLND-UHFFFAOYSA-N 1 2 387.484 2.240 20 0 GEADLO O=C([O-])N1CCC[C@H]1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000834111653 605562034 /nfs/dbraw/zinc/56/20/34/605562034.db2.gz SUBPBTXKESBHLU-OALUTQOASA-N 1 2 387.528 2.058 20 0 GEADLO O=C([O-])N1CCC[C@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000834111653 605562035 /nfs/dbraw/zinc/56/20/35/605562035.db2.gz SUBPBTXKESBHLU-OALUTQOASA-N 1 2 387.528 2.058 20 0 GEADLO O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000834250552 605620673 /nfs/dbraw/zinc/62/06/73/605620673.db2.gz MBLUSQRPBSDVGP-OALUTQOASA-N 1 2 384.480 2.198 20 0 GEADLO C[C@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000833821161 605681492 /nfs/dbraw/zinc/68/14/92/605681492.db2.gz ZBSSOLMHLZNMFI-QFBILLFUSA-N 1 2 377.485 2.018 20 0 GEADLO C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000833821161 605681497 /nfs/dbraw/zinc/68/14/97/605681497.db2.gz ZBSSOLMHLZNMFI-QFBILLFUSA-N 1 2 377.485 2.018 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823229393 606019477 /nfs/dbraw/zinc/01/94/77/606019477.db2.gz OWOZXSYSBKPRKG-UHFFFAOYSA-N 1 2 389.419 2.141 20 0 GEADLO C[N@@H+]1CCN(CCCNc2ccc(-c3nn[nH]n3)nc2)[C@@H](c2ccccc2)C1 ZINC000821626858 606037818 /nfs/dbraw/zinc/03/78/18/606037818.db2.gz BUFKRPBBZUCXGV-LJQANCHMSA-N 1 2 378.484 2.052 20 0 GEADLO C[N@H+]1CCN(CCCNc2ccc(-c3nn[nH]n3)nc2)[C@@H](c2ccccc2)C1 ZINC000821626858 606037825 /nfs/dbraw/zinc/03/78/25/606037825.db2.gz BUFKRPBBZUCXGV-LJQANCHMSA-N 1 2 378.484 2.052 20 0 GEADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1O ZINC000821795115 606077979 /nfs/dbraw/zinc/07/79/79/606077979.db2.gz UHEWTHJJDSQXFD-GFCCVEGCSA-N 1 2 382.424 2.040 20 0 GEADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1O ZINC000821795115 606077982 /nfs/dbraw/zinc/07/79/82/606077982.db2.gz UHEWTHJJDSQXFD-GFCCVEGCSA-N 1 2 382.424 2.040 20 0 GEADLO CC[N@H+](CC(=O)NCC(=O)c1ccccc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821165599 606100922 /nfs/dbraw/zinc/10/09/22/606100922.db2.gz VJKPISYLYKZJSA-OAHLLOKOSA-N 1 2 392.463 2.249 20 0 GEADLO CC[N@@H+](CC(=O)NCC(=O)c1ccccc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821165599 606100925 /nfs/dbraw/zinc/10/09/25/606100925.db2.gz VJKPISYLYKZJSA-OAHLLOKOSA-N 1 2 392.463 2.249 20 0 GEADLO COc1ccc(C(N)=[NH+]OCc2cn3ccccc3c2-c2nn[nH]n2)cc1OC ZINC000821777898 606175502 /nfs/dbraw/zinc/17/55/02/606175502.db2.gz NYKCIECQIGOGOF-UHFFFAOYSA-N 1 2 393.407 2.183 20 0 GEADLO CCc1nc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cs1 ZINC000821504189 606306281 /nfs/dbraw/zinc/30/62/81/606306281.db2.gz CWOIVBOLSGFWGJ-KOLCDFICSA-N 1 2 389.510 2.403 20 0 GEADLO Cc1cnc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)s1 ZINC000822389521 606310015 /nfs/dbraw/zinc/31/00/15/606310015.db2.gz ZNIUBBLPCAYYJO-GXSJLCMTSA-N 1 2 375.483 2.149 20 0 GEADLO CCn1cc(C2CC[NH+]([C@@H](C(=O)OC)c3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000821565153 606317123 /nfs/dbraw/zinc/31/71/23/606317123.db2.gz GKJDRILKFDNJEA-GOSISDBHSA-N 1 2 395.467 2.177 20 0 GEADLO O=C(CSc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000823070481 606328139 /nfs/dbraw/zinc/32/81/39/606328139.db2.gz AEEYZAAGUFTWNL-UHFFFAOYSA-N 1 2 394.504 2.303 20 0 GEADLO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821000633 606333686 /nfs/dbraw/zinc/33/36/86/606333686.db2.gz HMCRAWFODABHEX-QZTJIDSGSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821000633 606333688 /nfs/dbraw/zinc/33/36/88/606333688.db2.gz HMCRAWFODABHEX-QZTJIDSGSA-N 1 2 383.500 2.144 20 0 GEADLO O=C(CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)Nc1ccc(F)c(F)c1 ZINC000823009780 606449591 /nfs/dbraw/zinc/44/95/91/606449591.db2.gz UDZJASYUQYWTCT-UHFFFAOYSA-N 1 2 381.346 2.166 20 0 GEADLO CCCNC(=O)C[N@H+](CCC)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821114159 606483283 /nfs/dbraw/zinc/48/32/83/606483283.db2.gz KAEYDUAMHMOEBU-UHFFFAOYSA-N 1 2 382.415 2.206 20 0 GEADLO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821114159 606483285 /nfs/dbraw/zinc/48/32/85/606483285.db2.gz KAEYDUAMHMOEBU-UHFFFAOYSA-N 1 2 382.415 2.206 20 0 GEADLO CC1CC(C(=O)N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)C1 ZINC000820649477 606620388 /nfs/dbraw/zinc/62/03/88/606620388.db2.gz MBNDSLSQOGALFO-UHFFFAOYSA-N 1 2 377.452 2.110 20 0 GEADLO O=C(C1CC(F)(F)C1)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822912293 606621484 /nfs/dbraw/zinc/62/14/84/606621484.db2.gz VAMVJTFJNLIHTE-UHFFFAOYSA-N 1 2 399.405 2.109 20 0 GEADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC000821240924 606793116 /nfs/dbraw/zinc/79/31/16/606793116.db2.gz JZOCKPSEPKOKBK-UHFFFAOYSA-N 1 2 398.370 2.496 20 0 GEADLO CC[C@@H]1CCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820973147 606811652 /nfs/dbraw/zinc/81/16/52/606811652.db2.gz UOCPOTWGJYWAAB-AEFFLSMTSA-N 1 2 383.500 2.273 20 0 GEADLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1 ZINC000822693803 606849449 /nfs/dbraw/zinc/84/94/49/606849449.db2.gz KMCUYECHLTYRLV-MSOLQXFVSA-N 1 2 393.426 2.152 20 0 GEADLO O=C(c1ccccc1)N1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823493346 606884376 /nfs/dbraw/zinc/88/43/76/606884376.db2.gz LQNKNIZSKKNWHT-UHFFFAOYSA-N 1 2 392.463 2.094 20 0 GEADLO CCOC(=O)C[N@H+](CCc1ccccc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821330724 606897469 /nfs/dbraw/zinc/89/74/69/606897469.db2.gz PGHXQGMIEXQEHC-IBGZPJMESA-N 1 2 395.463 2.008 20 0 GEADLO CCOC(=O)C[N@@H+](CCc1ccccc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821330724 606897471 /nfs/dbraw/zinc/89/74/71/606897471.db2.gz PGHXQGMIEXQEHC-IBGZPJMESA-N 1 2 395.463 2.008 20 0 GEADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000823673733 606915527 /nfs/dbraw/zinc/91/55/27/606915527.db2.gz MZGDNZZWFDYBOA-IEBWSBKVSA-N 1 2 383.427 2.330 20 0 GEADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000823673733 606915528 /nfs/dbraw/zinc/91/55/28/606915528.db2.gz MZGDNZZWFDYBOA-IEBWSBKVSA-N 1 2 383.427 2.330 20 0 GEADLO O=C1[C@H]([N@@H+]2CCOC3(C2)CCCCCC3)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823503847 606934435 /nfs/dbraw/zinc/93/44/35/606934435.db2.gz JMWVSTGNLOUWIN-GOSISDBHSA-N 1 2 396.495 2.397 20 0 GEADLO O=C1[C@H]([N@H+]2CCOC3(C2)CCCCCC3)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823503847 606934436 /nfs/dbraw/zinc/93/44/36/606934436.db2.gz JMWVSTGNLOUWIN-GOSISDBHSA-N 1 2 396.495 2.397 20 0 GEADLO Cc1oc(NC(=O)C[NH+]2CCC(OC(C)(C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000822549203 607089433 /nfs/dbraw/zinc/08/94/33/607089433.db2.gz VPMAXGVOFMIAKJ-UHFFFAOYSA-N 1 2 376.461 2.295 20 0 GEADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820340782 607093531 /nfs/dbraw/zinc/09/35/31/607093531.db2.gz NGDRCNIMFKYVFW-KEYYUXOJSA-N 1 2 380.456 2.417 20 0 GEADLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820339514 607096898 /nfs/dbraw/zinc/09/68/98/607096898.db2.gz DIAKOCXYENAGKQ-GRDNDAEWSA-N 1 2 380.456 2.417 20 0 GEADLO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000826452726 607804486 /nfs/dbraw/zinc/80/44/86/607804486.db2.gz FRNQOEFKLYZJDV-LBPRGKRZSA-N 1 2 384.831 2.316 20 0 GEADLO C[C@@H]1COCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000825006526 607822532 /nfs/dbraw/zinc/82/25/32/607822532.db2.gz KYZCBJLKHUKKQN-JTQLQIEISA-N 1 2 376.367 2.489 20 0 GEADLO CC(C)Oc1cccc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824334224 607925988 /nfs/dbraw/zinc/92/59/88/607925988.db2.gz SEGXNYIKCBDOKR-GOSISDBHSA-N 1 2 380.452 2.312 20 0 GEADLO CC(C)Oc1cccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824334224 607925989 /nfs/dbraw/zinc/92/59/89/607925989.db2.gz SEGXNYIKCBDOKR-GOSISDBHSA-N 1 2 380.452 2.312 20 0 GEADLO CC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C[C@@H]1O ZINC000825210367 608017667 /nfs/dbraw/zinc/01/76/67/608017667.db2.gz GTWZWDYAKYQODU-OTYXRUKQSA-N 1 2 376.367 2.223 20 0 GEADLO CC(C)OCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000824315545 608050648 /nfs/dbraw/zinc/05/06/48/608050648.db2.gz RYMVRARJYDPART-UHFFFAOYSA-N 1 2 395.305 2.176 20 0 GEADLO CN(C)C(=O)c1cccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000825849206 608066347 /nfs/dbraw/zinc/06/63/47/608066347.db2.gz INWZUQLGQDEWKK-LJQANCHMSA-N 1 2 392.463 2.142 20 0 GEADLO CN(C)C(=O)c1cccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000825849206 608066348 /nfs/dbraw/zinc/06/63/48/608066348.db2.gz INWZUQLGQDEWKK-LJQANCHMSA-N 1 2 392.463 2.142 20 0 GEADLO C[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CCN1CC(F)(F)F ZINC000824992733 608100449 /nfs/dbraw/zinc/10/04/49/608100449.db2.gz NTFQNLNUPFQGII-LLVKDONJSA-N 1 2 377.374 2.488 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028443 608121291 /nfs/dbraw/zinc/12/12/91/608121291.db2.gz AHEDWWCNLVZLBZ-PKOBYXMFSA-N 1 2 398.417 2.249 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028443 608121292 /nfs/dbraw/zinc/12/12/92/608121292.db2.gz AHEDWWCNLVZLBZ-PKOBYXMFSA-N 1 2 398.417 2.249 20 0 GEADLO COCCOc1ccc(-c2nn[nH]n2)cc1NCc1c[nH+]c2c(C)cccn12 ZINC000826162402 608136656 /nfs/dbraw/zinc/13/66/56/608136656.db2.gz AGEZZGDRHXVGMV-UHFFFAOYSA-N 1 2 379.424 2.460 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1Nc1snc(Cl)c1-c1nn[nH]n1 ZINC000826326897 608190973 /nfs/dbraw/zinc/19/09/73/608190973.db2.gz JVRVKKLUFUYQPL-UHFFFAOYSA-N 1 2 378.849 2.260 20 0 GEADLO O=C(OCCn1cc[nH+]c1)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000826464154 608254510 /nfs/dbraw/zinc/25/45/10/608254510.db2.gz KODGLNOPPHBSQR-UHFFFAOYSA-N 1 2 380.364 2.092 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)c(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000826274895 608286893 /nfs/dbraw/zinc/28/68/93/608286893.db2.gz IGSOXEOCLQYEFK-KRWDZBQOSA-N 1 2 399.886 2.079 20 0 GEADLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1-c1nn[nH]n1 ZINC000826332334 608317349 /nfs/dbraw/zinc/31/73/49/608317349.db2.gz QMHYYCDDWPFPOL-WBVHZDCISA-N 1 2 397.508 2.067 20 0 GEADLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1-c1nn[nH]n1 ZINC000826332334 608317351 /nfs/dbraw/zinc/31/73/51/608317351.db2.gz QMHYYCDDWPFPOL-WBVHZDCISA-N 1 2 397.508 2.067 20 0 GEADLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1-c1nn[nH]n1 ZINC000826332331 608317598 /nfs/dbraw/zinc/31/75/98/608317598.db2.gz QMHYYCDDWPFPOL-DOTOQJQBSA-N 1 2 397.508 2.067 20 0 GEADLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1-c1nn[nH]n1 ZINC000826332331 608317600 /nfs/dbraw/zinc/31/76/00/608317600.db2.gz QMHYYCDDWPFPOL-DOTOQJQBSA-N 1 2 397.508 2.067 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1COC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000826170596 608359720 /nfs/dbraw/zinc/35/97/20/608359720.db2.gz HLYQDDMBUBTLON-AWEZNQCLSA-N 1 2 381.436 2.439 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1COC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000826170596 608359721 /nfs/dbraw/zinc/35/97/21/608359721.db2.gz HLYQDDMBUBTLON-AWEZNQCLSA-N 1 2 381.436 2.439 20 0 GEADLO CCc1nnc(NCc2cccnc2-n2cc[nH+]c2C)c(-c2nn[nH]n2)c1CC ZINC000825770957 608382172 /nfs/dbraw/zinc/38/21/72/608382172.db2.gz GTVHVBGFRFDHTH-UHFFFAOYSA-N 1 2 390.455 2.283 20 0 GEADLO Fc1c(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cccc1-c1nn[nH]n1 ZINC000826370651 608396140 /nfs/dbraw/zinc/39/61/40/608396140.db2.gz CHUQMSBWUHOPKC-UHFFFAOYSA-N 1 2 387.850 2.372 20 0 GEADLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(OC(F)F)c1 ZINC000824530198 608444103 /nfs/dbraw/zinc/44/41/03/608444103.db2.gz JUSKABPJEVWLJH-ZUZCIYMTSA-N 1 2 388.378 2.345 20 0 GEADLO O=C(C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)NC(C1CC1)C1CC1 ZINC000826410320 608462882 /nfs/dbraw/zinc/46/28/82/608462882.db2.gz JWKFPIPEVBXTNK-UHFFFAOYSA-N 1 2 378.480 2.261 20 0 GEADLO O=C(C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)NC(C1CC1)C1CC1 ZINC000826410320 608462884 /nfs/dbraw/zinc/46/28/84/608462884.db2.gz JWKFPIPEVBXTNK-UHFFFAOYSA-N 1 2 378.480 2.261 20 0 GEADLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825991458 608506924 /nfs/dbraw/zinc/50/69/24/608506924.db2.gz ARNPLKLPMGYZKM-UHFFFAOYSA-N 1 2 385.435 2.332 20 0 GEADLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825991458 608506926 /nfs/dbraw/zinc/50/69/26/608506926.db2.gz ARNPLKLPMGYZKM-UHFFFAOYSA-N 1 2 385.435 2.332 20 0 GEADLO CC(C)Cc1ncc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)s1 ZINC000824280788 608508679 /nfs/dbraw/zinc/50/86/79/608508679.db2.gz ULZNFFBILWMCNQ-UHFFFAOYSA-N 1 2 384.513 2.239 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c2cc(F)ccc21 ZINC000826497108 608580024 /nfs/dbraw/zinc/58/00/24/608580024.db2.gz UYOABOOCZUIVNT-HNNXBMFYSA-N 1 2 391.403 2.153 20 0 GEADLO FC(F)(F)COCCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826367664 608636989 /nfs/dbraw/zinc/63/69/89/608636989.db2.gz JEAAMGJGJQZHEX-UHFFFAOYSA-N 1 2 390.435 2.015 20 0 GEADLO OCC[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(-c2nn[nH]n2)s1 ZINC000826509971 608699391 /nfs/dbraw/zinc/69/93/91/608699391.db2.gz SFVDQDPSIRMTFA-UHFFFAOYSA-N 1 2 395.492 2.168 20 0 GEADLO OCC[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(-c2nn[nH]n2)s1 ZINC000826509971 608699394 /nfs/dbraw/zinc/69/93/94/608699394.db2.gz SFVDQDPSIRMTFA-UHFFFAOYSA-N 1 2 395.492 2.168 20 0 GEADLO Fc1cccc(N2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)c1F ZINC000826377403 608702381 /nfs/dbraw/zinc/70/23/81/608702381.db2.gz QLMNGHKRXHJBQM-UHFFFAOYSA-N 1 2 396.405 2.115 20 0 GEADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825005674 608843024 /nfs/dbraw/zinc/84/30/24/608843024.db2.gz BPZFGAIZNYPFLX-QRWLVFNGSA-N 1 2 395.463 2.027 20 0 GEADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825005674 608843026 /nfs/dbraw/zinc/84/30/26/608843026.db2.gz BPZFGAIZNYPFLX-QRWLVFNGSA-N 1 2 395.463 2.027 20 0 GEADLO O[C@H]1C[C@H](c2ccc(F)c(F)c2)[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826506157 608851778 /nfs/dbraw/zinc/85/17/78/608851778.db2.gz NSTMKSRDEAHCRQ-WMLDXEAASA-N 1 2 397.389 2.101 20 0 GEADLO O[C@H]1C[C@H](c2ccc(F)c(F)c2)[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826506157 608851782 /nfs/dbraw/zinc/85/17/82/608851782.db2.gz NSTMKSRDEAHCRQ-WMLDXEAASA-N 1 2 397.389 2.101 20 0 GEADLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826437212 609290271 /nfs/dbraw/zinc/29/02/71/609290271.db2.gz ASOUAJZSRHWEPX-UHFFFAOYSA-N 1 2 388.884 2.370 20 0 GEADLO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826437212 609290272 /nfs/dbraw/zinc/29/02/72/609290272.db2.gz ASOUAJZSRHWEPX-UHFFFAOYSA-N 1 2 388.884 2.370 20 0 GEADLO Cc1nc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cs1 ZINC000826323821 609415019 /nfs/dbraw/zinc/41/50/19/609415019.db2.gz TWQAJKMKBPPTQP-ABAIWWIYSA-N 1 2 383.481 2.478 20 0 GEADLO O=C1OC2(CCCC2)CN1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826483606 609427232 /nfs/dbraw/zinc/42/72/32/609427232.db2.gz SZYWKORUQCLSEO-UHFFFAOYSA-N 1 2 398.467 2.432 20 0 GEADLO CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000824319446 609443668 /nfs/dbraw/zinc/44/36/68/609443668.db2.gz QMYGEHNCWONBJM-UHFFFAOYSA-N 1 2 390.407 2.487 20 0 GEADLO CC(C)(C)OC(=O)CCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824100469 609514716 /nfs/dbraw/zinc/51/47/16/609514716.db2.gz QHVSIYQMOJTKDE-UHFFFAOYSA-N 1 2 386.500 2.106 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Br)cc2OC)C1 ZINC000447090276 649997232 /nfs/dbraw/zinc/99/72/32/649997232.db2.gz ZFHOPUMFWJALHH-CZUORRHYSA-N 1 2 388.302 2.304 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Br)cc2OC)C1 ZINC000447090276 649997235 /nfs/dbraw/zinc/99/72/35/649997235.db2.gz ZFHOPUMFWJALHH-CZUORRHYSA-N 1 2 388.302 2.304 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cccc(Br)c2F)CC1 ZINC000449008875 650029658 /nfs/dbraw/zinc/02/96/58/650029658.db2.gz LCPGHFFADJYMLW-GFCCVEGCSA-N 1 2 384.293 2.373 20 0 GEADLO COC(=O)Cn1cc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000449038633 650030884 /nfs/dbraw/zinc/03/08/84/650030884.db2.gz WHJBVHPTWLOHDP-CYBMUJFWSA-N 1 2 385.251 2.411 20 0 GEADLO COC(=O)Cn1cc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000449038633 650030886 /nfs/dbraw/zinc/03/08/86/650030886.db2.gz WHJBVHPTWLOHDP-CYBMUJFWSA-N 1 2 385.251 2.411 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cccc(Br)c3F)C2)nn1 ZINC000449243648 650035560 /nfs/dbraw/zinc/03/55/60/650035560.db2.gz MESFEERZDZPBHP-NSHDSACASA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cccc(Br)c3F)C2)nn1 ZINC000449243648 650035568 /nfs/dbraw/zinc/03/55/68/650035568.db2.gz MESFEERZDZPBHP-NSHDSACASA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)Cn1cc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)nn1 ZINC000449270738 650037290 /nfs/dbraw/zinc/03/72/90/650037290.db2.gz CYLXIKNGNXNPAH-SNVBAGLBSA-N 1 2 383.246 2.073 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccsc2Br)CC1 ZINC000450022632 650058324 /nfs/dbraw/zinc/05/83/24/650058324.db2.gz YSAYIFMBMPPMGT-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO O=C(c1ccsc1Br)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000450117544 650060520 /nfs/dbraw/zinc/06/05/20/650060520.db2.gz KCFLFYRDOIFIFH-GFCCVEGCSA-N 1 2 389.315 2.074 20 0 GEADLO CCNC(=O)CN1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450241001 650062569 /nfs/dbraw/zinc/06/25/69/650062569.db2.gz FSNDFLWXNJVITA-UHFFFAOYSA-N 1 2 395.276 2.395 20 0 GEADLO CN(CC(=O)N1CCOCC1)c1cc[nH+]c2cc(F)c(Br)cc21 ZINC000450326432 650063865 /nfs/dbraw/zinc/06/38/65/650063865.db2.gz HMSMJEANDBNMFL-UHFFFAOYSA-N 1 2 382.233 2.431 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451054939 650082585 /nfs/dbraw/zinc/08/25/85/650082585.db2.gz MGBQOHULXDCWOT-SNVBAGLBSA-N 1 2 376.251 2.293 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)C[C@@H]2CCCC2(F)F)C[C@@H](C)O1 ZINC000451108258 650087659 /nfs/dbraw/zinc/08/76/59/650087659.db2.gz AHLHHGPPHHDIFH-WCVJEAGWSA-N 1 2 380.501 2.325 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCc3c(F)ccc(Br)c3C2)C1 ZINC000451114064 650088114 /nfs/dbraw/zinc/08/81/14/650088114.db2.gz CUZNYKWZMHRRIH-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCc3c(F)ccc(Br)c3C2)C1 ZINC000451114064 650088117 /nfs/dbraw/zinc/08/81/17/650088117.db2.gz CUZNYKWZMHRRIH-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000451117383 650088435 /nfs/dbraw/zinc/08/84/35/650088435.db2.gz UIZKAOOVAWDYQY-UHFFFAOYSA-N 1 2 379.295 2.228 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000451117383 650088439 /nfs/dbraw/zinc/08/84/39/650088439.db2.gz UIZKAOOVAWDYQY-UHFFFAOYSA-N 1 2 379.295 2.228 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)Cc1c(F)cccc1Cl)[NH+]1CCN(C)CC1 ZINC000451241211 650097472 /nfs/dbraw/zinc/09/74/72/650097472.db2.gz GAGSMSXXOBKPDU-QGZVFWFLSA-N 1 2 391.940 2.171 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000451451906 650115609 /nfs/dbraw/zinc/11/56/09/650115609.db2.gz DHRPBEIMTDJFQH-SUMWQHHRSA-N 1 2 387.318 2.144 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)CC[N@H+]2CCOC[C@@H]2C)c1 ZINC000451451906 650115611 /nfs/dbraw/zinc/11/56/11/650115611.db2.gz DHRPBEIMTDJFQH-SUMWQHHRSA-N 1 2 387.318 2.144 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)CC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000451457957 650116293 /nfs/dbraw/zinc/11/62/93/650116293.db2.gz MLZSDESLPCJSIP-DYVFJYSZSA-N 1 2 387.318 2.144 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)CC[N@H+]2CCO[C@H](C)C2)c1 ZINC000451457957 650116296 /nfs/dbraw/zinc/11/62/96/650116296.db2.gz MLZSDESLPCJSIP-DYVFJYSZSA-N 1 2 387.318 2.144 20 0 GEADLO CCOC[C@H](C)CS(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000451458078 650116616 /nfs/dbraw/zinc/11/66/16/650116616.db2.gz DVYDADGJKJGCID-WMZOPIPTSA-N 1 2 386.583 2.196 20 0 GEADLO CCOC[C@H](C)CS(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000451458078 650116620 /nfs/dbraw/zinc/11/66/20/650116620.db2.gz DVYDADGJKJGCID-WMZOPIPTSA-N 1 2 386.583 2.196 20 0 GEADLO CCOC[C@@H](C)CS(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000451458075 650116638 /nfs/dbraw/zinc/11/66/38/650116638.db2.gz DVYDADGJKJGCID-AEFFLSMTSA-N 1 2 386.583 2.196 20 0 GEADLO CCOC[C@@H](C)CS(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000451458075 650116643 /nfs/dbraw/zinc/11/66/43/650116643.db2.gz DVYDADGJKJGCID-AEFFLSMTSA-N 1 2 386.583 2.196 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H](C)[N@H+]1CCO ZINC000451886412 650150223 /nfs/dbraw/zinc/15/02/23/650150223.db2.gz DCBKZHVFTWYZAN-TXEJJXNPSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H](C)[N@@H+]1CCO ZINC000451886412 650150225 /nfs/dbraw/zinc/15/02/25/650150225.db2.gz DCBKZHVFTWYZAN-TXEJJXNPSA-N 1 2 381.325 2.210 20 0 GEADLO O=C([C@H](O)C1CCC1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000451897783 650151169 /nfs/dbraw/zinc/15/11/69/650151169.db2.gz DTDAGYQBYIBUPP-OAHLLOKOSA-N 1 2 382.258 2.428 20 0 GEADLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000451933720 650154941 /nfs/dbraw/zinc/15/49/41/650154941.db2.gz PLSQMRCIKYBFCN-LBPRGKRZSA-N 1 2 376.906 2.462 20 0 GEADLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000451933720 650154944 /nfs/dbraw/zinc/15/49/44/650154944.db2.gz PLSQMRCIKYBFCN-LBPRGKRZSA-N 1 2 376.906 2.462 20 0 GEADLO COC[C@]1(CO)CC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000451940091 650155470 /nfs/dbraw/zinc/15/54/70/650155470.db2.gz XLGCYXREWYOQJH-OAHLLOKOSA-N 1 2 391.693 2.372 20 0 GEADLO COC[C@]1(CO)CC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000451940091 650155474 /nfs/dbraw/zinc/15/54/74/650155474.db2.gz XLGCYXREWYOQJH-OAHLLOKOSA-N 1 2 391.693 2.372 20 0 GEADLO Cc1cc(Br)c(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)s1 ZINC000453595618 650209908 /nfs/dbraw/zinc/20/99/08/650209908.db2.gz MPRUPEJDXWQVMO-UHFFFAOYSA-N 1 2 396.376 2.133 20 0 GEADLO Cc1cc(Br)c(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)s1 ZINC000453595618 650209912 /nfs/dbraw/zinc/20/99/12/650209912.db2.gz MPRUPEJDXWQVMO-UHFFFAOYSA-N 1 2 396.376 2.133 20 0 GEADLO Cn1cc(Br)c(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000454229758 650259609 /nfs/dbraw/zinc/25/96/09/650259609.db2.gz QHHOXXWYXDWMGQ-UHFFFAOYSA-N 1 2 393.289 2.177 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)NCCc2ccc(Br)cc2Cl)C1 ZINC000454443408 650266954 /nfs/dbraw/zinc/26/69/54/650266954.db2.gz RIWVLWRLFKUCKI-CYBMUJFWSA-N 1 2 390.709 2.275 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)NCCc2ccc(Br)cc2Cl)C1 ZINC000454443408 650266958 /nfs/dbraw/zinc/26/69/58/650266958.db2.gz RIWVLWRLFKUCKI-CYBMUJFWSA-N 1 2 390.709 2.275 20 0 GEADLO Cc1nc(CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)sc1Br ZINC000454549095 650269144 /nfs/dbraw/zinc/26/91/44/650269144.db2.gz PXXDPBZEIHGKLO-KOLCDFICSA-N 1 2 391.335 2.122 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000455201394 650294792 /nfs/dbraw/zinc/29/47/92/650294792.db2.gz LEDTYIIHHAREIR-IUODEOHRSA-N 1 2 392.253 2.239 20 0 GEADLO CNC(=O)C[C@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000456502451 650343407 /nfs/dbraw/zinc/34/34/07/650343407.db2.gz JDRCQHJKYLAXBH-BLLLJJGKSA-N 1 2 382.302 2.227 20 0 GEADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cncc(Br)c2)CC1 ZINC000500978924 650385601 /nfs/dbraw/zinc/38/56/01/650385601.db2.gz VUIAAXHHWHQWMK-OAHLLOKOSA-N 1 2 395.345 2.363 20 0 GEADLO CC(=O)N[C@H](CC(=O)NCCc1cn(C)c[nH+]1)c1ccc(Br)cc1 ZINC000457894415 650388746 /nfs/dbraw/zinc/38/87/46/650388746.db2.gz ZUAKPWTWNGJXAG-MRXNPFEDSA-N 1 2 393.285 2.109 20 0 GEADLO C[C@@H](CNC(=O)NCCc1cn(C)c[nH+]1)Oc1ccccc1Br ZINC000458510352 650404556 /nfs/dbraw/zinc/40/45/56/650404556.db2.gz PSNQRNXUEXJOPS-LBPRGKRZSA-N 1 2 381.274 2.492 20 0 GEADLO CC[C@@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H](O)C(F)F ZINC000458687136 650407613 /nfs/dbraw/zinc/40/76/13/650407613.db2.gz MLJCRKXTEMWUGO-CABCVRRESA-N 1 2 375.847 2.402 20 0 GEADLO CC[C@@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H](O)C(F)F ZINC000458687136 650407620 /nfs/dbraw/zinc/40/76/20/650407620.db2.gz MLJCRKXTEMWUGO-CABCVRRESA-N 1 2 375.847 2.402 20 0 GEADLO CC[C@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H](O)C(F)F ZINC000458687138 650407643 /nfs/dbraw/zinc/40/76/43/650407643.db2.gz MLJCRKXTEMWUGO-GJZGRUSLSA-N 1 2 375.847 2.402 20 0 GEADLO CC[C@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H](O)C(F)F ZINC000458687138 650407644 /nfs/dbraw/zinc/40/76/44/650407644.db2.gz MLJCRKXTEMWUGO-GJZGRUSLSA-N 1 2 375.847 2.402 20 0 GEADLO CN(Cc1nccc(N)n1)[C@H]1CC[N@H+](Cc2cccc(O)c2Br)C1 ZINC000459523393 650427079 /nfs/dbraw/zinc/42/70/79/650427079.db2.gz VUAVESSGVBQNNX-ZDUSSCGKSA-N 1 2 392.301 2.233 20 0 GEADLO CN(Cc1nccc(N)n1)[C@H]1CC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000459523393 650427084 /nfs/dbraw/zinc/42/70/84/650427084.db2.gz VUAVESSGVBQNNX-ZDUSSCGKSA-N 1 2 392.301 2.233 20 0 GEADLO CN(C[C@H]1CCC[N@@H+](Cc2cccc(O)c2Br)C1)S(C)(=O)=O ZINC000459547001 650428225 /nfs/dbraw/zinc/42/82/25/650428225.db2.gz VDDJJYJTTIINDP-GFCCVEGCSA-N 1 2 391.331 2.258 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[NH2+][C@@H](C)c2nc3c(s2)CCC3)n1 ZINC000459633579 650429459 /nfs/dbraw/zinc/42/94/59/650429459.db2.gz PIRWUPFXVSYOFZ-VIFPVBQESA-N 1 2 380.495 2.093 20 0 GEADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1nc2c(s1)CCC2 ZINC000459628469 650429597 /nfs/dbraw/zinc/42/95/97/650429597.db2.gz CQLFYUVZEHDMHT-LLVKDONJSA-N 1 2 379.507 2.325 20 0 GEADLO CCC(CC)(NC(=O)C1C[NH+](Cc2ccc(C(F)(F)F)s2)C1)C(N)=O ZINC000459631932 650429617 /nfs/dbraw/zinc/42/96/17/650429617.db2.gz MGVHLIXDROCLAP-UHFFFAOYSA-N 1 2 377.432 2.359 20 0 GEADLO Cc1c(Br)cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1Br ZINC000459714149 650430872 /nfs/dbraw/zinc/43/08/72/650430872.db2.gz TVEPIAUPDFNLMN-ZWNOBZJWSA-N 1 2 379.092 2.305 20 0 GEADLO Cc1c(Br)cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)cc1Br ZINC000459714149 650430874 /nfs/dbraw/zinc/43/08/74/650430874.db2.gz TVEPIAUPDFNLMN-ZWNOBZJWSA-N 1 2 379.092 2.305 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000459858060 650434044 /nfs/dbraw/zinc/43/40/44/650434044.db2.gz PMHSCIDCZBGISS-ZDUSSCGKSA-N 1 2 379.869 2.435 20 0 GEADLO CCc1ncc(S(=O)(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)s1 ZINC000460926278 650448361 /nfs/dbraw/zinc/44/83/61/650448361.db2.gz TVRPEXFHOIDVPA-UHFFFAOYSA-N 1 2 387.571 2.267 20 0 GEADLO COc1ccc(Br)c(NC(=O)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000506560206 650446027 /nfs/dbraw/zinc/44/60/27/650446027.db2.gz FYYGPDVTEKOAJZ-UHFFFAOYSA-N 1 2 393.241 2.020 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)CCc2ccccc2Br)[C@@H](C)C1 ZINC000462055959 650465096 /nfs/dbraw/zinc/46/50/96/650465096.db2.gz GHGSAUULEYYXBJ-ZDUSSCGKSA-N 1 2 375.332 2.347 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)CCc2ccccc2Br)[C@@H](C)C1 ZINC000462055959 650465097 /nfs/dbraw/zinc/46/50/97/650465097.db2.gz GHGSAUULEYYXBJ-ZDUSSCGKSA-N 1 2 375.332 2.347 20 0 GEADLO CC(=O)NCCc1ccc(-c2csc(NC(=O)[C@@H]3CSC[NH2+]3)n2)cc1 ZINC000462064522 650465833 /nfs/dbraw/zinc/46/58/33/650465833.db2.gz ARYMITDMHVFZFZ-HNNXBMFYSA-N 1 2 376.507 2.090 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000507886841 650469012 /nfs/dbraw/zinc/46/90/12/650469012.db2.gz IPAWBJVUMJBYHE-VXGBXAGGSA-N 1 2 391.331 2.479 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000507886841 650469013 /nfs/dbraw/zinc/46/90/13/650469013.db2.gz IPAWBJVUMJBYHE-VXGBXAGGSA-N 1 2 391.331 2.479 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1C(F)(F)F ZINC000509174960 650488889 /nfs/dbraw/zinc/48/88/89/650488889.db2.gz WUPOPNAEEYJVBO-UHFFFAOYSA-N 1 2 375.372 2.081 20 0 GEADLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC000463344703 650493739 /nfs/dbraw/zinc/49/37/39/650493739.db2.gz JXMNRMCPNPUTCW-ZDUSSCGKSA-N 1 2 380.432 2.408 20 0 GEADLO C[C@@H](CNC(=O)N(C)CCc1cccc(Br)c1)[NH+]1CCOCC1 ZINC000463346623 650493820 /nfs/dbraw/zinc/49/38/20/650493820.db2.gz VEMLPCTYSJJNEF-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO Cn1ncc2c1nc[nH+]c2NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000509843044 650501840 /nfs/dbraw/zinc/50/18/40/650501840.db2.gz CEQHXJUBVZPUHY-LBPRGKRZSA-N 1 2 376.258 2.389 20 0 GEADLO CN(Cc1cn(-c2cccc(Br)c2)nn1)c1[nH+]cnc2c1cnn2C ZINC000509872774 650502160 /nfs/dbraw/zinc/50/21/60/650502160.db2.gz XRVNLSNYDBHSHV-UHFFFAOYSA-N 1 2 399.256 2.343 20 0 GEADLO O=C(c1ccc(Br)c2c1OCCC2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000469497200 650510741 /nfs/dbraw/zinc/51/07/41/650510741.db2.gz FIMIRMRYBIWSSB-CYBMUJFWSA-N 1 2 395.297 2.321 20 0 GEADLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)n1 ZINC000510904739 650520937 /nfs/dbraw/zinc/52/09/37/650520937.db2.gz LBNCWQSNSVHTSG-NSHDSACASA-N 1 2 378.420 2.171 20 0 GEADLO Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)n1 ZINC000510904739 650520938 /nfs/dbraw/zinc/52/09/38/650520938.db2.gz LBNCWQSNSVHTSG-NSHDSACASA-N 1 2 378.420 2.171 20 0 GEADLO O=C(CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1)NCC1CC1 ZINC000510933287 650521342 /nfs/dbraw/zinc/52/13/42/650521342.db2.gz CFKHEHHYCMXCQV-UHFFFAOYSA-N 1 2 381.274 2.267 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000473996697 650526727 /nfs/dbraw/zinc/52/67/27/650526727.db2.gz RLLGZQPBLZAMEL-MRXNPFEDSA-N 1 2 383.286 2.012 20 0 GEADLO CNC(=O)c1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000475434010 650533286 /nfs/dbraw/zinc/53/32/86/650533286.db2.gz KZLSFOHNANHXSO-HNNXBMFYSA-N 1 2 376.254 2.125 20 0 GEADLO O=C(C[NH2+]Cc1ncc(I)s1)NC1CCCCC1 ZINC000512021145 650543913 /nfs/dbraw/zinc/54/39/13/650543913.db2.gz BSGZCEGSGCKYOH-UHFFFAOYSA-N 1 2 379.267 2.286 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000476541480 650553229 /nfs/dbraw/zinc/55/32/29/650553229.db2.gz UQLADEWLFRBRSP-ZIAGYGMSSA-N 1 2 390.933 2.468 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000476541480 650553233 /nfs/dbraw/zinc/55/32/33/650553233.db2.gz UQLADEWLFRBRSP-ZIAGYGMSSA-N 1 2 390.933 2.468 20 0 GEADLO COC(=O)C[C@@](C)(NC(=O)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000476871589 650561950 /nfs/dbraw/zinc/56/19/50/650561950.db2.gz XRCMXPJMOYUKJI-MRXNPFEDSA-N 1 2 380.242 2.240 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000516211493 650595592 /nfs/dbraw/zinc/59/55/92/650595592.db2.gz YNBVTAKBYUJWQF-XFNZEKPQSA-N 1 2 399.365 2.102 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000516211493 650595598 /nfs/dbraw/zinc/59/55/98/650595598.db2.gz YNBVTAKBYUJWQF-XFNZEKPQSA-N 1 2 399.365 2.102 20 0 GEADLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000518370764 650604070 /nfs/dbraw/zinc/60/40/70/650604070.db2.gz GYRLQLPBNSZPFS-UHFFFAOYSA-N 1 2 396.207 2.474 20 0 GEADLO CC(=O)NCC[N@H+](C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000518370764 650604071 /nfs/dbraw/zinc/60/40/71/650604071.db2.gz GYRLQLPBNSZPFS-UHFFFAOYSA-N 1 2 396.207 2.474 20 0 GEADLO C[C@@]([NH3+])(C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)cc1 ZINC000518529637 650605514 /nfs/dbraw/zinc/60/55/14/650605514.db2.gz PYNQFGURVSYPRC-HWPZZCPQSA-N 1 2 395.257 2.118 20 0 GEADLO Cc1ccc(OCCC(=O)NCC[N@H+]2CCOC[C@@H]2C)c(Br)c1 ZINC000520519902 650614855 /nfs/dbraw/zinc/61/48/55/650614855.db2.gz YQEFLRUEHDYBSW-AWEZNQCLSA-N 1 2 385.302 2.363 20 0 GEADLO Cc1ccc(OCCC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(Br)c1 ZINC000520519902 650614858 /nfs/dbraw/zinc/61/48/58/650614858.db2.gz YQEFLRUEHDYBSW-AWEZNQCLSA-N 1 2 385.302 2.363 20 0 GEADLO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CCS1(=O)=O ZINC000521742064 650619476 /nfs/dbraw/zinc/61/94/76/650619476.db2.gz KPWLLUSOVIQTQO-CJNGLKHVSA-N 1 2 387.933 2.161 20 0 GEADLO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ncc(Br)s2)C1=O ZINC000480481135 650623073 /nfs/dbraw/zinc/62/30/73/650623073.db2.gz MCVRXBYXYCKQEJ-SNVBAGLBSA-N 1 2 384.303 2.407 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c(Br)c1 ZINC000480661093 650626999 /nfs/dbraw/zinc/62/69/99/650626999.db2.gz ROHCEQVRKWATNL-UHFFFAOYSA-N 1 2 389.315 2.317 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCc1ccccc1Br ZINC000480810560 650633278 /nfs/dbraw/zinc/63/32/78/650633278.db2.gz YDNAAQBIOIDYME-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCc1ccccc1Br ZINC000480810560 650633282 /nfs/dbraw/zinc/63/32/82/650633282.db2.gz YDNAAQBIOIDYME-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO COc1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1Br ZINC000524297811 650640349 /nfs/dbraw/zinc/64/03/49/650640349.db2.gz GJVWTRYKIKFNSR-UHFFFAOYSA-N 1 2 395.257 2.189 20 0 GEADLO C[C@H](CNC(=O)CCCOc1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000524386876 650640830 /nfs/dbraw/zinc/64/08/30/650640830.db2.gz GQSLVKLRMHKVEW-OAHLLOKOSA-N 1 2 398.345 2.360 20 0 GEADLO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CC(n2cc[nH+]c2)C1 ZINC000524399397 650640836 /nfs/dbraw/zinc/64/08/36/650640836.db2.gz XRCPOQFSVMEPQY-OAHLLOKOSA-N 1 2 389.253 2.082 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000524595868 650643637 /nfs/dbraw/zinc/64/36/37/650643637.db2.gz XQGRXXBZJVUJNK-AWEZNQCLSA-N 1 2 380.432 2.480 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000524595868 650643639 /nfs/dbraw/zinc/64/36/39/650643639.db2.gz XQGRXXBZJVUJNK-AWEZNQCLSA-N 1 2 380.432 2.480 20 0 GEADLO Cc1nccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1Br ZINC000525845513 650658622 /nfs/dbraw/zinc/65/86/22/650658622.db2.gz XJSZLEOWSKJYCT-AWEZNQCLSA-N 1 2 397.317 2.293 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000527040555 650665731 /nfs/dbraw/zinc/66/57/31/650665731.db2.gz DFOXUFQEJAWUGJ-UHFFFAOYSA-N 1 2 399.563 2.241 20 0 GEADLO O=C(C[NH+]1CCC(O[C@H]2CCOC2)CC1)Nc1ccc(Br)cn1 ZINC000483020692 650673824 /nfs/dbraw/zinc/67/38/24/650673824.db2.gz SRVOADXUHAUIES-AWEZNQCLSA-N 1 2 384.274 2.053 20 0 GEADLO O=C([C@@H]1SCCc2sccc21)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000483365150 650677432 /nfs/dbraw/zinc/67/74/32/650677432.db2.gz NABQPNZWEFPWHU-WMLDXEAASA-N 1 2 382.551 2.028 20 0 GEADLO CC[C@@H]([NH2+]Cc1ncc(Cl)cc1Br)C(=O)N1CCOCC1 ZINC000527671505 650681676 /nfs/dbraw/zinc/68/16/76/650681676.db2.gz SUCDLQNLRZGRCA-GFCCVEGCSA-N 1 2 376.682 2.225 20 0 GEADLO O=C(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528353012 650690110 /nfs/dbraw/zinc/69/01/10/650690110.db2.gz MJMVHAKZFOBWLI-CYBMUJFWSA-N 1 2 387.307 2.417 20 0 GEADLO CNC(=O)NC[C@@H]1CN(c2cc[nH+]c3cc(F)c(Br)cc32)CCO1 ZINC000528122886 650685473 /nfs/dbraw/zinc/68/54/73/650685473.db2.gz SUSGJKNEWKNLMY-SNVBAGLBSA-N 1 2 397.248 2.271 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000528357377 650690446 /nfs/dbraw/zinc/69/04/46/650690446.db2.gz NWGMNVWDICSJOD-CYBMUJFWSA-N 1 2 391.896 2.211 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000528357377 650690448 /nfs/dbraw/zinc/69/04/48/650690448.db2.gz NWGMNVWDICSJOD-CYBMUJFWSA-N 1 2 391.896 2.211 20 0 GEADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[C@]3(C)Br)c2)CC1 ZINC000529122175 650701513 /nfs/dbraw/zinc/70/15/13/650701513.db2.gz WJEFVWULTLFILY-AEFFLSMTSA-N 1 2 394.313 2.463 20 0 GEADLO COCc1ccccc1S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000485972942 650704181 /nfs/dbraw/zinc/70/41/81/650704181.db2.gz FFEBCVMENIUDNR-UHFFFAOYSA-N 1 2 380.535 2.444 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000529750222 650706211 /nfs/dbraw/zinc/70/62/11/650706211.db2.gz CKSSAZYUUBNHTE-KRWDZBQOSA-N 1 2 391.270 2.478 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000529750222 650706213 /nfs/dbraw/zinc/70/62/13/650706213.db2.gz CKSSAZYUUBNHTE-KRWDZBQOSA-N 1 2 391.270 2.478 20 0 GEADLO Cc1cccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1Br ZINC000529753031 650706429 /nfs/dbraw/zinc/70/64/29/650706429.db2.gz QSDOTNQZWYQHSQ-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1cccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1Br ZINC000529753031 650706432 /nfs/dbraw/zinc/70/64/32/650706432.db2.gz QSDOTNQZWYQHSQ-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO COCCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486579287 650716129 /nfs/dbraw/zinc/71/61/29/650716129.db2.gz SKDPQWXPVDLVKJ-IRXDYDNUSA-N 1 2 376.469 2.445 20 0 GEADLO COCCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486579287 650716132 /nfs/dbraw/zinc/71/61/32/650716132.db2.gz SKDPQWXPVDLVKJ-IRXDYDNUSA-N 1 2 376.469 2.445 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000530288785 650720021 /nfs/dbraw/zinc/72/00/21/650720021.db2.gz LDUSOCOMYODPGP-UHFFFAOYSA-N 1 2 391.313 2.460 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000531212731 650736316 /nfs/dbraw/zinc/73/63/16/650736316.db2.gz ULWQNMHUABIODF-HOTGVXAUSA-N 1 2 383.583 2.453 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2sccc2C1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000531212731 650736317 /nfs/dbraw/zinc/73/63/17/650736317.db2.gz ULWQNMHUABIODF-HOTGVXAUSA-N 1 2 383.583 2.453 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)o1 ZINC000530856962 650729818 /nfs/dbraw/zinc/72/98/18/650729818.db2.gz VFMZRANYJTYVLS-CYBMUJFWSA-N 1 2 386.857 2.301 20 0 GEADLO Cn1cncc1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000487768200 650737798 /nfs/dbraw/zinc/73/77/98/650737798.db2.gz RCUUEDVYNUVJJD-UHFFFAOYSA-N 1 2 378.230 2.315 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000487951937 650739963 /nfs/dbraw/zinc/73/99/63/650739963.db2.gz IDSNFQOYYCWEQZ-INIZCTEOSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000487951937 650739966 /nfs/dbraw/zinc/73/99/66/650739966.db2.gz IDSNFQOYYCWEQZ-INIZCTEOSA-N 1 2 390.933 2.221 20 0 GEADLO C[C@@H]1C[C@H]1C[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000488357707 650744906 /nfs/dbraw/zinc/74/49/06/650744906.db2.gz QAHPHRKDDJWWMQ-MNOVXSKESA-N 1 2 379.345 2.473 20 0 GEADLO C[C@@H]1C[C@@H]1C[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000488357706 650745006 /nfs/dbraw/zinc/74/50/06/650745006.db2.gz QAHPHRKDDJWWMQ-GHMZBOCLSA-N 1 2 379.345 2.473 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1sccc1-n1cccc1 ZINC000031937408 642492178 /nfs/dbraw/zinc/49/21/78/642492178.db2.gz WUGAEPMFJMIRFK-GOSISDBHSA-N 1 2 377.535 2.477 20 0 GEADLO C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031936176 642492481 /nfs/dbraw/zinc/49/24/81/642492481.db2.gz PHZXXVJUDKHMRP-KDOFPFPSSA-N 1 2 384.929 2.431 20 0 GEADLO O=C(Cc1ccc(I)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488908965 650752342 /nfs/dbraw/zinc/75/23/42/650752342.db2.gz IGXOBYOOKLKKRT-ZDUSSCGKSA-N 1 2 381.217 2.161 20 0 GEADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCOCC1 ZINC000041280806 642527914 /nfs/dbraw/zinc/52/79/14/642527914.db2.gz QOMDEAXGCSYIKH-HNNXBMFYSA-N 1 2 388.295 2.405 20 0 GEADLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2nc(Cl)ccc2Cl)CC1 ZINC000041907533 642535777 /nfs/dbraw/zinc/53/57/77/642535777.db2.gz DVAYTSYGRFRJOU-UHFFFAOYSA-N 1 2 387.311 2.451 20 0 GEADLO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)c2nc(Cl)ccc2Cl)CC1 ZINC000041907533 642535784 /nfs/dbraw/zinc/53/57/84/642535784.db2.gz DVAYTSYGRFRJOU-UHFFFAOYSA-N 1 2 387.311 2.451 20 0 GEADLO O=S(=O)(c1ccc(C[NH2+]Cc2ccc(F)cc2F)s1)N1CCOCC1 ZINC000042228393 642546007 /nfs/dbraw/zinc/54/60/07/642546007.db2.gz IVXMWSDMOQPBQJ-UHFFFAOYSA-N 1 2 388.461 2.337 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1csc(-c2ccc(OC)cc2)n1 ZINC000533377543 650760385 /nfs/dbraw/zinc/76/03/85/650760385.db2.gz JCJYLZKTMRPOJL-HNNXBMFYSA-N 1 2 381.523 2.332 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1csc(-c2ccc(OC)cc2)n1 ZINC000533377543 650760386 /nfs/dbraw/zinc/76/03/86/650760386.db2.gz JCJYLZKTMRPOJL-HNNXBMFYSA-N 1 2 381.523 2.332 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000047151720 642621597 /nfs/dbraw/zinc/62/15/97/642621597.db2.gz LSCCJGFVPAQJOA-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO O=C(COC(=O)c1cccnc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000050466133 642683312 /nfs/dbraw/zinc/68/33/12/642683312.db2.gz XNXURQKDFNBJLH-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO O=C(C1CC[NH+](CCS(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000053846146 642740681 /nfs/dbraw/zinc/74/06/81/642740681.db2.gz ZRRAUSVCRDFVDN-UHFFFAOYSA-N 1 2 384.929 2.448 20 0 GEADLO O=C(COC(=O)c1ccc(Cl)nc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000053908029 642743069 /nfs/dbraw/zinc/74/30/69/642743069.db2.gz NRASEINKBNTKFU-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO O=C(CSCC(=O)N1CC[NH+](Cc2cccs2)CC1)N1CCCCC1 ZINC000493302332 650793484 /nfs/dbraw/zinc/79/34/84/650793484.db2.gz LISRHVMJUHXOKL-UHFFFAOYSA-N 1 2 381.567 2.138 20 0 GEADLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536015258 650794173 /nfs/dbraw/zinc/79/41/73/650794173.db2.gz GFWKXIYGQKPJIQ-GOEBONIOSA-N 1 2 381.567 2.340 20 0 GEADLO CCn1c(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)n[nH]c1=S ZINC000066636416 642928913 /nfs/dbraw/zinc/92/89/13/642928913.db2.gz GGJHDGWFKSCXNC-OAHLLOKOSA-N 1 2 377.539 2.367 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000066880478 642944789 /nfs/dbraw/zinc/94/47/89/642944789.db2.gz NEZMUUQNABPDGI-UHFFFAOYSA-N 1 2 388.917 2.452 20 0 GEADLO O=C(Cn1cc(Br)ccc1=O)NCCCCNc1cccc[nH+]1 ZINC000068421817 642995947 /nfs/dbraw/zinc/99/59/47/642995947.db2.gz LXFXBEMBEZICHQ-UHFFFAOYSA-N 1 2 379.258 2.014 20 0 GEADLO NS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000068457764 642999169 /nfs/dbraw/zinc/99/91/69/642999169.db2.gz XTADDELRPPCYJO-AWEZNQCLSA-N 1 2 394.324 2.465 20 0 GEADLO NS(=O)(=O)CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000068457764 642999175 /nfs/dbraw/zinc/99/91/75/642999175.db2.gz XTADDELRPPCYJO-AWEZNQCLSA-N 1 2 394.324 2.465 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000068506067 643003776 /nfs/dbraw/zinc/00/37/76/643003776.db2.gz SKVZLFLXUWJJIV-UHFFFAOYSA-N 1 2 379.309 2.232 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CSc2ccccc2Cl)CC1 ZINC000068506043 643004089 /nfs/dbraw/zinc/00/40/89/643004089.db2.gz CAVOANHUCUQUAT-UHFFFAOYSA-N 1 2 390.958 2.057 20 0 GEADLO CC(C)CC(CC(C)C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069110033 643019773 /nfs/dbraw/zinc/01/97/73/643019773.db2.gz JXNIXAQCQSMOMW-UHFFFAOYSA-N 1 2 375.579 2.255 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000069857804 643041876 /nfs/dbraw/zinc/04/18/76/643041876.db2.gz URWLKQFEZWXEOS-MRXNPFEDSA-N 1 2 386.945 2.158 20 0 GEADLO O=S(=O)(CC[N@H+]1CCC[C@@H](CN2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000069857804 643041881 /nfs/dbraw/zinc/04/18/81/643041881.db2.gz URWLKQFEZWXEOS-MRXNPFEDSA-N 1 2 386.945 2.158 20 0 GEADLO COCC[N@H+](CC(=O)N(C)C)CC1=Cc2cc(Br)ccc2OC1 ZINC000091774339 643067083 /nfs/dbraw/zinc/06/70/83/643067083.db2.gz QISNRFRLEGVWBA-UHFFFAOYSA-N 1 2 383.286 2.262 20 0 GEADLO COCC[N@@H+](CC(=O)N(C)C)CC1=Cc2cc(Br)ccc2OC1 ZINC000091774339 643067087 /nfs/dbraw/zinc/06/70/87/643067087.db2.gz QISNRFRLEGVWBA-UHFFFAOYSA-N 1 2 383.286 2.262 20 0 GEADLO CCOc1c(Br)cc(C[N@H+](CCOC)[C@@H](C)C(N)=O)cc1OC ZINC000093137422 643075679 /nfs/dbraw/zinc/07/56/79/643075679.db2.gz IMHFQPGKJGMECZ-NSHDSACASA-N 1 2 389.290 2.179 20 0 GEADLO CCOc1c(Br)cc(C[N@@H+](CCOC)[C@@H](C)C(N)=O)cc1OC ZINC000093137422 643075681 /nfs/dbraw/zinc/07/56/81/643075681.db2.gz IMHFQPGKJGMECZ-NSHDSACASA-N 1 2 389.290 2.179 20 0 GEADLO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000101923686 643118400 /nfs/dbraw/zinc/11/84/00/643118400.db2.gz OCBWIVUXZAATEF-OAHLLOKOSA-N 1 2 388.555 2.023 20 0 GEADLO CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000101923686 643118408 /nfs/dbraw/zinc/11/84/08/643118408.db2.gz OCBWIVUXZAATEF-OAHLLOKOSA-N 1 2 388.555 2.023 20 0 GEADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000103493553 643168663 /nfs/dbraw/zinc/16/86/63/643168663.db2.gz MWUKQCNINBKOFO-CYBMUJFWSA-N 1 2 389.327 2.047 20 0 GEADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC000103563098 643169966 /nfs/dbraw/zinc/16/99/66/643169966.db2.gz ZTGYPGWHYBDUBN-HNNXBMFYSA-N 1 2 398.345 2.108 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cnc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000104599631 643186625 /nfs/dbraw/zinc/18/66/25/643186625.db2.gz OJFBQSUVZZUHRO-NXEZZACHSA-N 1 2 376.682 2.337 20 0 GEADLO CC(C)NC(=O)NCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000104955337 643197881 /nfs/dbraw/zinc/19/78/81/643197881.db2.gz DOMIBJUABROJFR-UHFFFAOYSA-N 1 2 389.363 2.336 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCc1cc(Br)ccc1F)[NH+]1CCOCC1 ZINC000105141323 643199723 /nfs/dbraw/zinc/19/97/23/643199723.db2.gz JADHICHVTQWQSH-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H](NC(=O)NCc1cc(F)ccc1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000105167185 643200478 /nfs/dbraw/zinc/20/04/78/643200478.db2.gz OMVNOQIEOFYMJN-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000105612594 643211342 /nfs/dbraw/zinc/21/13/42/643211342.db2.gz KHKVOFBGMIKQHZ-CYBMUJFWSA-N 1 2 388.331 2.070 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000105612594 643211348 /nfs/dbraw/zinc/21/13/48/643211348.db2.gz KHKVOFBGMIKQHZ-CYBMUJFWSA-N 1 2 388.331 2.070 20 0 GEADLO C[C@H](NC(=O)C[N@H+](C)CCNC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000537708188 650821766 /nfs/dbraw/zinc/82/17/66/650821766.db2.gz UOPJEQMKVCVARG-NSHDSACASA-N 1 2 375.300 2.374 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](C)CCNC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000537708188 650821768 /nfs/dbraw/zinc/82/17/68/650821768.db2.gz UOPJEQMKVCVARG-NSHDSACASA-N 1 2 375.300 2.374 20 0 GEADLO CCOCCN1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000106104889 643221507 /nfs/dbraw/zinc/22/15/07/643221507.db2.gz FSFGFPYEQOOZHD-HNNXBMFYSA-N 1 2 377.312 2.387 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CCc1ccc(Br)cc1 ZINC000106530983 643233033 /nfs/dbraw/zinc/23/30/33/643233033.db2.gz ROELUYDWNZAGMM-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1csc(Br)c1 ZINC000106582805 643235157 /nfs/dbraw/zinc/23/51/57/643235157.db2.gz LCKBPTKLQIRPCO-LBPRGKRZSA-N 1 2 389.363 2.288 20 0 GEADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000495198221 650823704 /nfs/dbraw/zinc/82/37/04/650823704.db2.gz ZWHWZUOKZOOJMR-GDBMZVCRSA-N 1 2 385.302 2.132 20 0 GEADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000495198221 650823706 /nfs/dbraw/zinc/82/37/06/650823706.db2.gz ZWHWZUOKZOOJMR-GDBMZVCRSA-N 1 2 385.302 2.132 20 0 GEADLO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000108263850 643269246 /nfs/dbraw/zinc/26/92/46/643269246.db2.gz SKEXKAUVXYUVDW-UHFFFAOYSA-N 1 2 375.422 2.418 20 0 GEADLO COCC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108853304 643283774 /nfs/dbraw/zinc/28/37/74/643283774.db2.gz BXAWHEVIRAOKCN-CQSZACIVSA-N 1 2 381.416 2.263 20 0 GEADLO COCC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108853304 643283780 /nfs/dbraw/zinc/28/37/80/643283780.db2.gz BXAWHEVIRAOKCN-CQSZACIVSA-N 1 2 381.416 2.263 20 0 GEADLO NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000109628085 643298550 /nfs/dbraw/zinc/29/85/50/643298550.db2.gz QVDJRYMRFRASKM-UHFFFAOYSA-N 1 2 382.873 2.005 20 0 GEADLO CC[N@@H+]1CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 ZINC000110814863 643320491 /nfs/dbraw/zinc/32/04/91/643320491.db2.gz UUXPWJNBVAFCKI-UHFFFAOYSA-N 1 2 389.315 2.020 20 0 GEADLO CC[N@H+]1CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 ZINC000110814863 643320496 /nfs/dbraw/zinc/32/04/96/643320496.db2.gz UUXPWJNBVAFCKI-UHFFFAOYSA-N 1 2 389.315 2.020 20 0 GEADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)N3CCCCCC3)CC2)cs1 ZINC000111357788 643337722 /nfs/dbraw/zinc/33/77/22/643337722.db2.gz FHOSWCBVXNRWJI-UHFFFAOYSA-N 1 2 386.587 2.374 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000538184681 650832093 /nfs/dbraw/zinc/83/20/93/650832093.db2.gz OPVCSIIPZKBOAU-MRVPVSSYSA-N 1 2 387.184 2.067 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@H+](C[C@H](O)c1ccc(Br)cc1)C1CC1 ZINC000113262994 643388272 /nfs/dbraw/zinc/38/82/72/643388272.db2.gz BTPGBYHRVNVQAE-NHYWBVRUSA-N 1 2 376.316 2.380 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C[C@H](O)c1ccc(Br)cc1)C1CC1 ZINC000113262994 643388280 /nfs/dbraw/zinc/38/82/80/643388280.db2.gz BTPGBYHRVNVQAE-NHYWBVRUSA-N 1 2 376.316 2.380 20 0 GEADLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000116401363 643462496 /nfs/dbraw/zinc/46/24/96/643462496.db2.gz RFRNXLFSQVAQTL-ZIAGYGMSSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000116401363 643462501 /nfs/dbraw/zinc/46/25/01/643462501.db2.gz RFRNXLFSQVAQTL-ZIAGYGMSSA-N 1 2 385.258 2.040 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000118468229 643513854 /nfs/dbraw/zinc/51/38/54/643513854.db2.gz CBELXBRBCRPTQA-ABAIWWIYSA-N 1 2 376.284 2.047 20 0 GEADLO CCS[C@H](C)c1noc(C[N@H+](C)CCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000121690135 643637841 /nfs/dbraw/zinc/63/78/41/643637841.db2.gz QLQYULADWGCMIC-GFCCVEGCSA-N 1 2 384.527 2.206 20 0 GEADLO CCS[C@H](C)c1noc(C[N@@H+](C)CCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000121690135 643637844 /nfs/dbraw/zinc/63/78/44/643637844.db2.gz QLQYULADWGCMIC-GFCCVEGCSA-N 1 2 384.527 2.206 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)nc1Cl ZINC000121748145 643639482 /nfs/dbraw/zinc/63/94/82/643639482.db2.gz WWBRJCJAONBMBM-TZMCWYRMSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)nc1Cl ZINC000121748145 643639488 /nfs/dbraw/zinc/63/94/88/643639488.db2.gz WWBRJCJAONBMBM-TZMCWYRMSA-N 1 2 389.308 2.451 20 0 GEADLO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)n1 ZINC000122059469 643650370 /nfs/dbraw/zinc/65/03/70/643650370.db2.gz IFDAMQYKEAKZKM-UHFFFAOYSA-N 1 2 386.239 2.034 20 0 GEADLO O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000126131674 643721690 /nfs/dbraw/zinc/72/16/90/643721690.db2.gz KWJBXSSVISEDHK-CQSZACIVSA-N 1 2 398.301 2.161 20 0 GEADLO CSCC[C@@H](C)[N@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000126406236 643732006 /nfs/dbraw/zinc/73/20/06/643732006.db2.gz UNIDHPLZCSIXFF-NVXWUHKLSA-N 1 2 390.615 2.408 20 0 GEADLO CSCC[C@@H](C)[N@@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000126406236 643732010 /nfs/dbraw/zinc/73/20/10/643732010.db2.gz UNIDHPLZCSIXFF-NVXWUHKLSA-N 1 2 390.615 2.408 20 0 GEADLO Cc1nc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1 ZINC000126552309 643734793 /nfs/dbraw/zinc/73/47/93/643734793.db2.gz HYABAIQNKKKEJB-CYBMUJFWSA-N 1 2 381.523 2.323 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)NCCCCn2cc[nH+]c2)c1 ZINC000540942542 650866078 /nfs/dbraw/zinc/86/60/78/650866078.db2.gz BHJLAJAIQPTTKA-UHFFFAOYSA-N 1 2 388.287 2.413 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cs1 ZINC000499150090 650874822 /nfs/dbraw/zinc/87/48/22/650874822.db2.gz NFBGZFYQFUBXNG-UHFFFAOYSA-N 1 2 375.475 2.326 20 0 GEADLO O=C(c1ccncc1I)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000130952503 643857186 /nfs/dbraw/zinc/85/71/86/643857186.db2.gz WEUYDFLKSYYSRC-NSHDSACASA-N 1 2 382.205 2.188 20 0 GEADLO O=C(CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)Nc1ccc(Br)cc1 ZINC000131393598 643872065 /nfs/dbraw/zinc/87/20/65/643872065.db2.gz DPTGTIRZSQAVOB-LBPRGKRZSA-N 1 2 391.269 2.353 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000153227292 643981909 /nfs/dbraw/zinc/98/19/09/643981909.db2.gz VHPQPLVNXBHJJO-KRWDZBQOSA-N 1 2 389.297 2.188 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@H+](C[C@H](O)c1ccccc1Br)C1CC1 ZINC000153685330 644000735 /nfs/dbraw/zinc/00/07/35/644000735.db2.gz UQKKPZHUOAMXEX-ABAIWWIYSA-N 1 2 376.316 2.380 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@@H+](C[C@H](O)c1ccccc1Br)C1CC1 ZINC000153685330 644000738 /nfs/dbraw/zinc/00/07/38/644000738.db2.gz UQKKPZHUOAMXEX-ABAIWWIYSA-N 1 2 376.316 2.380 20 0 GEADLO O[C@H](COc1c(Br)cccc1Br)C[NH+]1CCOCC1 ZINC000153765077 644004692 /nfs/dbraw/zinc/00/46/92/644004692.db2.gz ZIYIHIHUWNPHPE-JTQLQIEISA-N 1 2 395.091 2.284 20 0 GEADLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000154198778 644024897 /nfs/dbraw/zinc/02/48/97/644024897.db2.gz DOUHIZAWYAETKJ-IAQYHMDHSA-N 1 2 379.869 2.086 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000154310036 644033618 /nfs/dbraw/zinc/03/36/18/644033618.db2.gz KHNGPGJHJXXRJV-UHFFFAOYSA-N 1 2 385.649 2.444 20 0 GEADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000156817118 644119097 /nfs/dbraw/zinc/11/90/97/644119097.db2.gz BMSGWUHOJQQXOU-ZFWWWQNUSA-N 1 2 381.274 2.154 20 0 GEADLO Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000156817118 644119104 /nfs/dbraw/zinc/11/91/04/644119104.db2.gz BMSGWUHOJQQXOU-ZFWWWQNUSA-N 1 2 381.274 2.154 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000499926575 650894906 /nfs/dbraw/zinc/89/49/06/650894906.db2.gz HAKDDSWDRXTIES-QMMMGPOBSA-N 1 2 392.656 2.343 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000499926575 650894908 /nfs/dbraw/zinc/89/49/08/650894908.db2.gz HAKDDSWDRXTIES-QMMMGPOBSA-N 1 2 392.656 2.343 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000499921864 650894931 /nfs/dbraw/zinc/89/49/31/650894931.db2.gz NFYQBXCDRRXJFI-NSHDSACASA-N 1 2 391.269 2.098 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000499921864 650894933 /nfs/dbraw/zinc/89/49/33/650894933.db2.gz NFYQBXCDRRXJFI-NSHDSACASA-N 1 2 391.269 2.098 20 0 GEADLO Cn1cnnc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000163161929 644250671 /nfs/dbraw/zinc/25/06/71/644250671.db2.gz KNHNDCRIAHGNBY-UHFFFAOYSA-N 1 2 378.274 2.428 20 0 GEADLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000164613270 644266669 /nfs/dbraw/zinc/26/66/69/644266669.db2.gz MPEKRBQIOHTHBA-YPMHNXCESA-N 1 2 392.257 2.089 20 0 GEADLO CCOc1ccc(Br)cc1C[N@H+](CC(=O)NCC(=O)OC)C1CC1 ZINC000170901187 644295851 /nfs/dbraw/zinc/29/58/51/644295851.db2.gz LBGPUAXXWKYPOV-UHFFFAOYSA-N 1 2 399.285 2.101 20 0 GEADLO CCOc1ccc(Br)cc1C[N@@H+](CC(=O)NCC(=O)OC)C1CC1 ZINC000170901187 644295859 /nfs/dbraw/zinc/29/58/59/644295859.db2.gz LBGPUAXXWKYPOV-UHFFFAOYSA-N 1 2 399.285 2.101 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCS(=O)(=O)[C@@H](C)[C@H]3C)c[nH+]c12 ZINC000543394258 650909293 /nfs/dbraw/zinc/90/92/93/650909293.db2.gz GNUFUWKWOZVWCZ-NEPJUHHUSA-N 1 2 386.315 2.413 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCS(=O)(=O)[C@H](C)[C@H]3C)c[nH+]c12 ZINC000543394271 650909418 /nfs/dbraw/zinc/90/94/18/650909418.db2.gz GNUFUWKWOZVWCZ-VXGBXAGGSA-N 1 2 386.315 2.413 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc2nn(C[N@@H+]3CCC[C@H]3C)c(=S)n2c1 ZINC000173522799 644359279 /nfs/dbraw/zinc/35/92/79/644359279.db2.gz YTAJFWYALNCQOK-CYBMUJFWSA-N 1 2 383.543 2.338 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc2nn(C[N@H+]3CCC[C@H]3C)c(=S)n2c1 ZINC000173522799 644359282 /nfs/dbraw/zinc/35/92/82/644359282.db2.gz YTAJFWYALNCQOK-CYBMUJFWSA-N 1 2 383.543 2.338 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc2nn(C[N@@H+]3CCC[C@@H]3C)c(=S)n2c1 ZINC000173522786 644359382 /nfs/dbraw/zinc/35/93/82/644359382.db2.gz YTAJFWYALNCQOK-ZDUSSCGKSA-N 1 2 383.543 2.338 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc2nn(C[N@H+]3CCC[C@@H]3C)c(=S)n2c1 ZINC000173522786 644359385 /nfs/dbraw/zinc/35/93/85/644359385.db2.gz YTAJFWYALNCQOK-ZDUSSCGKSA-N 1 2 383.543 2.338 20 0 GEADLO Nc1ncc(Cl)cc1S(=O)(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000178945857 644446964 /nfs/dbraw/zinc/44/69/64/644446964.db2.gz KXYZFVWGRQPSOC-UHFFFAOYSA-N 1 2 381.889 2.181 20 0 GEADLO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCNC2=O)c2ccc(Cl)cc2)c1 ZINC000179048361 644451008 /nfs/dbraw/zinc/45/10/08/644451008.db2.gz VNIMMJPRSIAIKS-DLBZAZTESA-N 1 2 378.881 2.311 20 0 GEADLO Cc1csc(=O)n1CC[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181062548 644523034 /nfs/dbraw/zinc/52/30/34/644523034.db2.gz AFSUBBFBQXOLSI-ZDUSSCGKSA-N 1 2 384.299 2.139 20 0 GEADLO Cc1csc(=O)n1CC[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181062548 644523036 /nfs/dbraw/zinc/52/30/36/644523036.db2.gz AFSUBBFBQXOLSI-ZDUSSCGKSA-N 1 2 384.299 2.139 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCN(C(=O)C4CC4)CC3)c[nH+]c12 ZINC000544349584 650939394 /nfs/dbraw/zinc/93/93/94/650939394.db2.gz DSFSOBOTXQMKDI-UHFFFAOYSA-N 1 2 377.286 2.459 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(C(N)=O)o3)[nH+]c12 ZINC000544777326 650953282 /nfs/dbraw/zinc/95/32/82/650953282.db2.gz NRNTTWBDZHNJQR-UHFFFAOYSA-N 1 2 391.225 2.070 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3C[C@@]34CCOC4)[nH+]c12 ZINC000545184612 650964309 /nfs/dbraw/zinc/96/43/09/650964309.db2.gz ZYCBPQKOQMNLFY-WMLDXEAASA-N 1 2 378.270 2.491 20 0 GEADLO COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000181978612 644953334 /nfs/dbraw/zinc/95/33/34/644953334.db2.gz SUWXNWVGUKAIRO-HNNXBMFYSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000181978612 644953342 /nfs/dbraw/zinc/95/33/42/644953342.db2.gz SUWXNWVGUKAIRO-HNNXBMFYSA-N 1 2 386.901 2.127 20 0 GEADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cs1 ZINC000184739801 645025103 /nfs/dbraw/zinc/02/51/03/645025103.db2.gz XNSKCJARTGPNIR-GHMZBOCLSA-N 1 2 382.511 2.031 20 0 GEADLO Cc1ccc(C[S@@](=O)c2ccc(S(=O)(=O)N3CCCC3)cn2)c(C)[nH+]1 ZINC000187064744 645082373 /nfs/dbraw/zinc/08/23/73/645082373.db2.gz PSNAFOLYDZSAIX-XMMPIXPASA-N 1 2 379.507 2.186 20 0 GEADLO Cc1cc(NNC(=O)C(=O)Nc2cc(Br)c(F)cc2C)nc(C)[nH+]1 ZINC000188020872 645103995 /nfs/dbraw/zinc/10/39/95/645103995.db2.gz IXUZABHIBNSZTB-UHFFFAOYSA-N 1 2 396.220 2.385 20 0 GEADLO Cc1cc(Br)cc(NC(=O)C(=O)NNc2cc(C)[nH+]c(C)n2)c1 ZINC000188747764 645124353 /nfs/dbraw/zinc/12/43/53/645124353.db2.gz JXYCNSANWGPQNR-UHFFFAOYSA-N 1 2 378.230 2.246 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1CC(C)(C)O ZINC000188798068 645126427 /nfs/dbraw/zinc/12/64/27/645126427.db2.gz SRISRBLNFCZSOD-GFCCVEGCSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[N@H+]1CC(C)(C)O ZINC000188798068 645126431 /nfs/dbraw/zinc/12/64/31/645126431.db2.gz SRISRBLNFCZSOD-GFCCVEGCSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)[C@@H](C)C1 ZINC000189092079 645132072 /nfs/dbraw/zinc/13/20/72/645132072.db2.gz MZKMNFZBKKJVKB-NWDGAFQWSA-N 1 2 398.472 2.374 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)[C@@H](C)C1 ZINC000189092079 645132076 /nfs/dbraw/zinc/13/20/76/645132076.db2.gz MZKMNFZBKKJVKB-NWDGAFQWSA-N 1 2 398.472 2.374 20 0 GEADLO COc1cc(NC(=O)C(=O)NNc2cc(C)cc[nH+]2)ccc1Br ZINC000190042035 645147268 /nfs/dbraw/zinc/14/72/68/645147268.db2.gz MDSYILBIYFSBTC-UHFFFAOYSA-N 1 2 379.214 2.243 20 0 GEADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NNc1ccc(Cl)nn1 ZINC000190872807 645167654 /nfs/dbraw/zinc/16/76/54/645167654.db2.gz GCTNOHJDLYBMQB-UHFFFAOYSA-N 1 2 381.267 2.468 20 0 GEADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NNc1ccc(Cl)nn1 ZINC000190872807 645167657 /nfs/dbraw/zinc/16/76/57/645167657.db2.gz GCTNOHJDLYBMQB-UHFFFAOYSA-N 1 2 381.267 2.468 20 0 GEADLO O=C(Nc1cccc(Cl)c1Br)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000191978515 645187592 /nfs/dbraw/zinc/18/75/92/645187592.db2.gz ZHKWIEFCGQLINY-UHFFFAOYSA-N 1 2 386.677 2.348 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000192585592 645212503 /nfs/dbraw/zinc/21/25/03/645212503.db2.gz IFGKQOJYCJUQJC-CVEARBPZSA-N 1 2 376.881 2.089 20 0 GEADLO CCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192662077 645219504 /nfs/dbraw/zinc/21/95/04/645219504.db2.gz SYFRJIOPTIYQKW-KRWDZBQOSA-N 1 2 396.285 2.412 20 0 GEADLO CCCOc1ccc(Br)cc1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192662077 645219508 /nfs/dbraw/zinc/21/95/08/645219508.db2.gz SYFRJIOPTIYQKW-KRWDZBQOSA-N 1 2 396.285 2.412 20 0 GEADLO COC(=O)CN(CC[N@@H+]1CCO[C@@H](C)C1)Cc1cccc(Br)c1 ZINC000192844370 645225157 /nfs/dbraw/zinc/22/51/57/645225157.db2.gz KNIUVANWUIUSOB-AWEZNQCLSA-N 1 2 385.302 2.145 20 0 GEADLO COC(=O)CN(CC[N@H+]1CCO[C@@H](C)C1)Cc1cccc(Br)c1 ZINC000192844370 645225164 /nfs/dbraw/zinc/22/51/64/645225164.db2.gz KNIUVANWUIUSOB-AWEZNQCLSA-N 1 2 385.302 2.145 20 0 GEADLO CC[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)Cc1ccc(Cl)s1 ZINC000193264208 645257917 /nfs/dbraw/zinc/25/79/17/645257917.db2.gz UFJDNGPAOLVWBT-UHFFFAOYSA-N 1 2 379.917 2.362 20 0 GEADLO CC[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)Cc1ccc(Cl)s1 ZINC000193264208 645257919 /nfs/dbraw/zinc/25/79/19/645257919.db2.gz UFJDNGPAOLVWBT-UHFFFAOYSA-N 1 2 379.917 2.362 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)cc1Cl ZINC000193309952 645265591 /nfs/dbraw/zinc/26/55/91/645265591.db2.gz PHSQCOZZBYZBHM-AWEZNQCLSA-N 1 2 386.930 2.131 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000193608078 645289800 /nfs/dbraw/zinc/28/98/00/645289800.db2.gz CNTLCUSLFBUKTP-UHFFFAOYSA-N 1 2 384.249 2.474 20 0 GEADLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193723417 645293650 /nfs/dbraw/zinc/29/36/50/645293650.db2.gz KHUJCGQECDOWLK-UHFFFAOYSA-N 1 2 378.274 2.428 20 0 GEADLO C[NH+](C)Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000194588418 645336100 /nfs/dbraw/zinc/33/61/00/645336100.db2.gz OEAMHHPUESCYRF-UHFFFAOYSA-N 1 2 385.848 2.440 20 0 GEADLO C[C@]([NH2+]CC(=O)Nc1ccccc1Br)(C(N)=O)c1ccccc1 ZINC000195224399 645364253 /nfs/dbraw/zinc/36/42/53/645364253.db2.gz HKFNDIHDULQJQQ-QGZVFWFLSA-N 1 2 376.254 2.378 20 0 GEADLO Oc1c(Br)cc(C[NH2+]C[C@@H]2COCCO2)cc1Br ZINC000225632733 645389307 /nfs/dbraw/zinc/38/93/07/645389307.db2.gz CRHLHMJYIMELBK-SECBINFHSA-N 1 2 381.064 2.422 20 0 GEADLO CC(=O)N[C@@H](C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C(C)C ZINC000546767001 651008728 /nfs/dbraw/zinc/00/87/28/651008728.db2.gz UXHFZCXVAXSGHS-OAHLLOKOSA-N 1 2 395.301 2.225 20 0 GEADLO Cc1noc(CCC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000546763874 651008865 /nfs/dbraw/zinc/00/88/65/651008865.db2.gz BYEQEGHYHMKJBE-UHFFFAOYSA-N 1 2 392.257 2.388 20 0 GEADLO O=S(=O)(Nc1ccncc1Br)c1ccccc1Cn1cc[nH+]c1 ZINC000546794619 651010551 /nfs/dbraw/zinc/01/05/51/651010551.db2.gz IQFRXFWFXXKGFE-UHFFFAOYSA-N 1 2 393.266 2.312 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccncc1I ZINC000546839140 651011347 /nfs/dbraw/zinc/01/13/47/651011347.db2.gz IWOMOHZTZXYVRP-UHFFFAOYSA-N 1 2 393.188 2.078 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]2CCCO2)C1 ZINC000245789807 645469487 /nfs/dbraw/zinc/46/94/87/645469487.db2.gz ARVPRHNQGIILAZ-HOCLYGCPSA-N 1 2 375.437 2.456 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]2CCCO2)C1 ZINC000245789807 645469501 /nfs/dbraw/zinc/46/95/01/645469501.db2.gz ARVPRHNQGIILAZ-HOCLYGCPSA-N 1 2 375.437 2.456 20 0 GEADLO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246825216 645496126 /nfs/dbraw/zinc/49/61/26/645496126.db2.gz COBVVXDQEHZYKR-IXDOHACOSA-N 1 2 379.298 2.486 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc(Cl)cc2c1OCC2 ZINC000547320840 651022164 /nfs/dbraw/zinc/02/21/64/651022164.db2.gz LMLVUNDCMXDIAE-GOSISDBHSA-N 1 2 382.913 2.213 20 0 GEADLO Cc1ccc(Br)c(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261796358 645600985 /nfs/dbraw/zinc/60/09/85/645600985.db2.gz LKZFHNLPPHEVOC-HNNXBMFYSA-N 1 2 396.310 2.488 20 0 GEADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000261922388 645612574 /nfs/dbraw/zinc/61/25/74/645612574.db2.gz BVDVOGIGMDDWNM-LBPRGKRZSA-N 1 2 375.281 2.062 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1cccc(Br)c1 ZINC000264337558 645675842 /nfs/dbraw/zinc/67/58/42/645675842.db2.gz HPISOEFNNCTADO-CQSZACIVSA-N 1 2 383.334 2.226 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1cccc(Br)c1 ZINC000264337554 645675996 /nfs/dbraw/zinc/67/59/96/645675996.db2.gz HPISOEFNNCTADO-AWEZNQCLSA-N 1 2 383.334 2.226 20 0 GEADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000264765751 645713541 /nfs/dbraw/zinc/71/35/41/645713541.db2.gz PRTIMWVLHIDTQX-JTQLQIEISA-N 1 2 386.732 2.171 20 0 GEADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000264765751 645713546 /nfs/dbraw/zinc/71/35/46/645713546.db2.gz PRTIMWVLHIDTQX-JTQLQIEISA-N 1 2 386.732 2.171 20 0 GEADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000264949689 645730265 /nfs/dbraw/zinc/73/02/65/645730265.db2.gz KDGKIVWRWTYLFI-STQMWFEESA-N 1 2 388.559 2.414 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000266887080 645864256 /nfs/dbraw/zinc/86/42/56/645864256.db2.gz DKLFNSQQPSSWBT-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000267101752 645881920 /nfs/dbraw/zinc/88/19/20/645881920.db2.gz OTBJDFVWXCCNAF-UHFFFAOYSA-N 1 2 384.889 2.330 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000267131723 645886001 /nfs/dbraw/zinc/88/60/01/645886001.db2.gz WEBLLBONWXEMDL-GFCCVEGCSA-N 1 2 391.269 2.458 20 0 GEADLO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000547947604 651058217 /nfs/dbraw/zinc/05/82/17/651058217.db2.gz OVTPCDBPWSMPDD-ZDUSSCGKSA-N 1 2 392.301 2.325 20 0 GEADLO Cn1c2cc(Br)ccc2nc1C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000547947604 651058221 /nfs/dbraw/zinc/05/82/21/651058221.db2.gz OVTPCDBPWSMPDD-ZDUSSCGKSA-N 1 2 392.301 2.325 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000547954719 651058532 /nfs/dbraw/zinc/05/85/32/651058532.db2.gz VQLUGEJVTBHVKH-CYBMUJFWSA-N 1 2 393.289 2.204 20 0 GEADLO Cn1cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(Br)c1=O ZINC000268673446 645986872 /nfs/dbraw/zinc/98/68/72/645986872.db2.gz YAXUQZYQIOILHN-JTQLQIEISA-N 1 2 380.246 2.282 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)ccc1Br ZINC000270963952 646158980 /nfs/dbraw/zinc/15/89/80/646158980.db2.gz VHVHYQUPKMNJDS-CQSZACIVSA-N 1 2 380.286 2.393 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)ccc1Br ZINC000270963952 646158983 /nfs/dbraw/zinc/15/89/83/646158983.db2.gz VHVHYQUPKMNJDS-CQSZACIVSA-N 1 2 380.286 2.393 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccnc(Cl)c1I ZINC000270975338 646160171 /nfs/dbraw/zinc/16/01/71/646160171.db2.gz HZXUCJOTINRCGW-MRVPVSSYSA-N 1 2 390.612 2.355 20 0 GEADLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccccc1Br ZINC000272536841 646276815 /nfs/dbraw/zinc/27/68/15/646276815.db2.gz PJHVFDOWBYHKFK-ZDUSSCGKSA-N 1 2 391.331 2.152 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cnc1Br ZINC000272786011 646286784 /nfs/dbraw/zinc/28/67/84/646286784.db2.gz AJXLHGSJQCTYDW-NSHDSACASA-N 1 2 392.257 2.220 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)CCCO)[nH+]c12 ZINC000273399674 646315233 /nfs/dbraw/zinc/31/52/33/646315233.db2.gz GLPKEPVFRRUTJI-LBPRGKRZSA-N 1 2 383.290 2.408 20 0 GEADLO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCCCS1(=O)=O ZINC000273398162 646315301 /nfs/dbraw/zinc/31/53/01/646315301.db2.gz UEPYVLTWRCDBKR-QGZVFWFLSA-N 1 2 382.551 2.450 20 0 GEADLO Cn1ncc2c1nc[nH+]c2NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000277198579 646388933 /nfs/dbraw/zinc/38/89/33/646388933.db2.gz PKUOXMBBWYMMDA-LBPRGKRZSA-N 1 2 376.258 2.389 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000277228033 646391117 /nfs/dbraw/zinc/39/11/17/646391117.db2.gz XDSWBYXJKBZNJI-HNNXBMFYSA-N 1 2 391.269 2.288 20 0 GEADLO COC(=O)CN(Cc1cccc(Br)c1)C(=O)CCn1cc[nH+]c1 ZINC000277298218 646399188 /nfs/dbraw/zinc/39/91/88/646399188.db2.gz VSRCDCWAYKLVHU-UHFFFAOYSA-N 1 2 380.242 2.238 20 0 GEADLO OC[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1cccc(Br)c1 ZINC000277738888 646469248 /nfs/dbraw/zinc/46/92/48/646469248.db2.gz IYUIMYWURVDMER-AWEZNQCLSA-N 1 2 379.258 2.221 20 0 GEADLO OC[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1cccc(Br)c1 ZINC000277738888 646469253 /nfs/dbraw/zinc/46/92/53/646469253.db2.gz IYUIMYWURVDMER-AWEZNQCLSA-N 1 2 379.258 2.221 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000278251986 646505883 /nfs/dbraw/zinc/50/58/83/646505883.db2.gz HJPYRUFRIFCCAP-CJNGLKHVSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000278251986 646505884 /nfs/dbraw/zinc/50/58/84/646505884.db2.gz HJPYRUFRIFCCAP-CJNGLKHVSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000278368169 646517248 /nfs/dbraw/zinc/51/72/48/646517248.db2.gz SGWZSLALOWMULW-WFASDCNBSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000278368169 646517253 /nfs/dbraw/zinc/51/72/53/646517253.db2.gz SGWZSLALOWMULW-WFASDCNBSA-N 1 2 376.266 2.434 20 0 GEADLO Cn1ncc(Br)c1CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000278651214 646535131 /nfs/dbraw/zinc/53/51/31/646535131.db2.gz DPOSUHVQNNYZNI-UHFFFAOYSA-N 1 2 380.290 2.398 20 0 GEADLO NC(=O)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278851480 646557651 /nfs/dbraw/zinc/55/76/51/646557651.db2.gz RMUPNLDFKQZDIO-NSHDSACASA-N 1 2 375.416 2.477 20 0 GEADLO NC(=O)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278851480 646557673 /nfs/dbraw/zinc/55/76/73/646557673.db2.gz RMUPNLDFKQZDIO-NSHDSACASA-N 1 2 375.416 2.477 20 0 GEADLO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279968257 646641192 /nfs/dbraw/zinc/64/11/92/646641192.db2.gz CUUFPMZCXNZKAF-IUCAKERBSA-N 1 2 382.313 2.158 20 0 GEADLO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1=O ZINC000280274343 646666082 /nfs/dbraw/zinc/66/60/82/646666082.db2.gz YBIMYRBBWYFCEJ-ZANVPECISA-N 1 2 394.324 2.301 20 0 GEADLO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000280628634 646699755 /nfs/dbraw/zinc/69/97/55/646699755.db2.gz SOGCGBKJTDVFNB-LLVKDONJSA-N 1 2 397.299 2.475 20 0 GEADLO C[C@@]1(C(N)=O)CC[N@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000280836241 646723578 /nfs/dbraw/zinc/72/35/78/646723578.db2.gz WQEANUACXSVVFM-MRXNPFEDSA-N 1 2 379.258 2.120 20 0 GEADLO C[C@@]1(C(N)=O)CC[N@@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000280836241 646723580 /nfs/dbraw/zinc/72/35/80/646723580.db2.gz WQEANUACXSVVFM-MRXNPFEDSA-N 1 2 379.258 2.120 20 0 GEADLO C[C@H]([C@H](C)NC(=O)C1(c2cncc(Br)c2)CC1)[NH+]1CCOCC1 ZINC000281113726 646747077 /nfs/dbraw/zinc/74/70/77/646747077.db2.gz BMPPBJITPIATER-QWHCGFSZSA-N 1 2 382.302 2.101 20 0 GEADLO C[C@@H](NC(=O)C1(c2cncc(Br)c2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000281113722 646747120 /nfs/dbraw/zinc/74/71/20/646747120.db2.gz BMPPBJITPIATER-OLZOCXBDSA-N 1 2 382.302 2.101 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccc(I)cc1 ZINC000281403342 646769069 /nfs/dbraw/zinc/76/90/69/646769069.db2.gz YUKSMUIWGZNPNX-RYUDHWBXSA-N 1 2 399.232 2.460 20 0 GEADLO C[C@H](Oc1ccc(I)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000281496292 646775293 /nfs/dbraw/zinc/77/52/93/646775293.db2.gz JARJVFFYLMEELM-LBPRGKRZSA-N 1 2 399.232 2.462 20 0 GEADLO O=S(=O)(c1cnc2ccsc2c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282038887 646812416 /nfs/dbraw/zinc/81/24/16/646812416.db2.gz OQZWRQGVAMJUDM-AWEZNQCLSA-N 1 2 381.523 2.029 20 0 GEADLO CN(C[C@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1)S(C)(=O)=O ZINC000285601987 646858468 /nfs/dbraw/zinc/85/84/68/646858468.db2.gz MCUKOXVEZDMUOL-CQSZACIVSA-N 1 2 380.539 2.309 20 0 GEADLO CN(C[C@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1)S(C)(=O)=O ZINC000285601987 646858470 /nfs/dbraw/zinc/85/84/70/646858470.db2.gz MCUKOXVEZDMUOL-CQSZACIVSA-N 1 2 380.539 2.309 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(Br)cc1 ZINC000287354459 646885182 /nfs/dbraw/zinc/88/51/82/646885182.db2.gz MBBBJXSAOUQXPP-BBRMVZONSA-N 1 2 382.302 2.454 20 0 GEADLO Cc1cc(Br)cc(C)c1CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288379331 646915049 /nfs/dbraw/zinc/91/50/49/646915049.db2.gz PDRUCBFKVONAMA-AWEZNQCLSA-N 1 2 377.242 2.452 20 0 GEADLO Cc1cc(Br)cc(C)c1CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288379331 646915051 /nfs/dbraw/zinc/91/50/51/646915051.db2.gz PDRUCBFKVONAMA-AWEZNQCLSA-N 1 2 377.242 2.452 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CC1(c2ccccc2Br)CC1 ZINC000288507787 646919137 /nfs/dbraw/zinc/91/91/37/646919137.db2.gz WZWPTPSFBNMREA-AWEZNQCLSA-N 1 2 389.253 2.367 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CC1(c2ccccc2Br)CC1 ZINC000288507787 646919142 /nfs/dbraw/zinc/91/91/42/646919142.db2.gz WZWPTPSFBNMREA-AWEZNQCLSA-N 1 2 389.253 2.367 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000291482737 647178344 /nfs/dbraw/zinc/17/83/44/647178344.db2.gz QKCWOXUXIVCFDY-UHFFFAOYSA-N 1 2 384.889 2.080 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000292173994 647184206 /nfs/dbraw/zinc/18/42/06/647184206.db2.gz AFLDAGQIBLLLJL-CYBMUJFWSA-N 1 2 378.274 2.261 20 0 GEADLO CCOc1cccc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1OC(F)F ZINC000292753020 647209876 /nfs/dbraw/zinc/20/98/76/647209876.db2.gz IRUBBMJKPZKPDZ-CYBMUJFWSA-N 1 2 378.441 2.152 20 0 GEADLO CCOc1cccc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1OC(F)F ZINC000292753020 647209889 /nfs/dbraw/zinc/20/98/89/647209889.db2.gz IRUBBMJKPZKPDZ-CYBMUJFWSA-N 1 2 378.441 2.152 20 0 GEADLO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000297822000 647264879 /nfs/dbraw/zinc/26/48/79/647264879.db2.gz KXJNCLWGPKVBJW-LLVKDONJSA-N 1 2 395.257 2.130 20 0 GEADLO Cn1c[nH+]cc1CCCn1cnc2ccc(I)cc2c1=O ZINC000314231835 647283976 /nfs/dbraw/zinc/28/39/76/647283976.db2.gz VGBUVRRUTKZINU-UHFFFAOYSA-N 1 2 394.216 2.367 20 0 GEADLO COCCN1CCCN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC1=O ZINC000329957696 647326398 /nfs/dbraw/zinc/32/63/98/647326398.db2.gz PMVVTVAJTRFQOH-UHFFFAOYSA-N 1 2 395.301 2.086 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC000330705448 647347292 /nfs/dbraw/zinc/34/72/92/647347292.db2.gz SCCURVLXGGFRAF-RYUDHWBXSA-N 1 2 381.420 2.126 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC000330705448 647347299 /nfs/dbraw/zinc/34/72/99/647347299.db2.gz SCCURVLXGGFRAF-RYUDHWBXSA-N 1 2 381.420 2.126 20 0 GEADLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CCS1 ZINC000330922361 647359371 /nfs/dbraw/zinc/35/93/71/647359371.db2.gz BINZBKQFKFVVIO-HNNXBMFYSA-N 1 2 385.555 2.011 20 0 GEADLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CCS1 ZINC000330922361 647359378 /nfs/dbraw/zinc/35/93/78/647359378.db2.gz BINZBKQFKFVVIO-HNNXBMFYSA-N 1 2 385.555 2.011 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000332523582 647441141 /nfs/dbraw/zinc/44/11/41/647441141.db2.gz NNVQSVCWHGEDNE-TZMCWYRMSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000332523582 647441146 /nfs/dbraw/zinc/44/11/46/647441146.db2.gz NNVQSVCWHGEDNE-TZMCWYRMSA-N 1 2 386.901 2.374 20 0 GEADLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1nnc(-c2ccccc2Br)o1 ZINC000332965791 647457266 /nfs/dbraw/zinc/45/72/66/647457266.db2.gz SKNCGYHPUZOCPG-MNOVXSKESA-N 1 2 377.242 2.352 20 0 GEADLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1nnc(-c2ccccc2Br)o1 ZINC000332965791 647457270 /nfs/dbraw/zinc/45/72/70/647457270.db2.gz SKNCGYHPUZOCPG-MNOVXSKESA-N 1 2 377.242 2.352 20 0 GEADLO CN1C(=O)N[C@]2(CCN(c3[nH+]ccc4cc(Br)ccc43)C2)C1=O ZINC000333684514 647479385 /nfs/dbraw/zinc/47/93/85/647479385.db2.gz AGTXKZMJKCGOKE-INIZCTEOSA-N 1 2 375.226 2.128 20 0 GEADLO CC(C)(C)[N@@H+]1C[C@@H](c2nc(C3(S(C)(=O)=O)CC3)no2)[C@H](C(F)(F)F)C1 ZINC000349704859 647521931 /nfs/dbraw/zinc/52/19/31/647521931.db2.gz UTQCZXGERFWCEU-NXEZZACHSA-N 1 2 381.420 2.480 20 0 GEADLO CC(C)(C)[N@H+]1C[C@@H](c2nc(C3(S(C)(=O)=O)CC3)no2)[C@H](C(F)(F)F)C1 ZINC000349704859 647521933 /nfs/dbraw/zinc/52/19/33/647521933.db2.gz UTQCZXGERFWCEU-NXEZZACHSA-N 1 2 381.420 2.480 20 0 GEADLO C[N@H+](Cc1nc(Cc2cc(Br)c[nH]c2=O)no1)[C@@H]1CCSC1 ZINC000350592729 647535375 /nfs/dbraw/zinc/53/53/75/647535375.db2.gz HLMAYEPNXCIWPQ-LLVKDONJSA-N 1 2 385.287 2.461 20 0 GEADLO C[N@@H+](Cc1nc(Cc2cc(Br)c[nH]c2=O)no1)[C@@H]1CCSC1 ZINC000350592729 647535379 /nfs/dbraw/zinc/53/53/79/647535379.db2.gz HLMAYEPNXCIWPQ-LLVKDONJSA-N 1 2 385.287 2.461 20 0 GEADLO C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363396940 647594113 /nfs/dbraw/zinc/59/41/13/647594113.db2.gz ALCQPXQUQUPDKT-SECBINFHSA-N 1 2 383.212 2.350 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000363426748 647596101 /nfs/dbraw/zinc/59/61/01/647596101.db2.gz HPYVVHIVPNJTCN-UONOGXRCSA-N 1 2 386.949 2.120 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000363498092 647598012 /nfs/dbraw/zinc/59/80/12/647598012.db2.gz WPWUEDQAVOMXJJ-GJZGRUSLSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000363498092 647598017 /nfs/dbraw/zinc/59/80/17/647598017.db2.gz WPWUEDQAVOMXJJ-GJZGRUSLSA-N 1 2 384.307 2.377 20 0 GEADLO CN(CC(=O)NC1CC[NH+](Cc2cscn2)CC1)C(=O)c1cccs1 ZINC000365128699 647660445 /nfs/dbraw/zinc/66/04/45/647660445.db2.gz ROXBCCNRJKBBQE-UHFFFAOYSA-N 1 2 378.523 2.057 20 0 GEADLO FC(F)Oc1ccc(C[NH2+]Cc2nnc3n2CCOC3)cc1Br ZINC000365170611 647662078 /nfs/dbraw/zinc/66/20/78/647662078.db2.gz LRIKYAYPXCEILU-UHFFFAOYSA-N 1 2 389.200 2.462 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2NC(=O)C[C@H]2C(F)(F)F)CC1 ZINC000365467476 647671488 /nfs/dbraw/zinc/67/14/88/647671488.db2.gz CAMQZYAYZCELCN-QKCSRTOESA-N 1 2 375.416 2.020 20 0 GEADLO Ic1cnc(CN2CCC[C@H]2C[NH+]2CCOCC2)s1 ZINC000367307051 647728255 /nfs/dbraw/zinc/72/82/55/647728255.db2.gz DCMMJUGPBGKWSS-NSHDSACASA-N 1 2 393.294 2.044 20 0 GEADLO O=S1(=O)CC[C@H]2C[N@@H+](CCOc3cc(F)cc(Br)c3)C[C@H]21 ZINC000367604185 647740586 /nfs/dbraw/zinc/74/05/86/647740586.db2.gz SGWZVHSQRREELV-IINYFYTJSA-N 1 2 378.263 2.086 20 0 GEADLO O=S1(=O)CC[C@H]2C[N@H+](CCOc3cc(F)cc(Br)c3)C[C@H]21 ZINC000367604185 647740592 /nfs/dbraw/zinc/74/05/92/647740592.db2.gz SGWZVHSQRREELV-IINYFYTJSA-N 1 2 378.263 2.086 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)c(Cl)c1Cl ZINC000368572513 647759396 /nfs/dbraw/zinc/75/93/96/647759396.db2.gz BZJVTXBOASJYMM-ZETCQYMHSA-N 1 2 375.224 2.230 20 0 GEADLO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368645303 647762640 /nfs/dbraw/zinc/76/26/40/647762640.db2.gz QVJFQIWZTJTCHV-CJNGLKHVSA-N 1 2 388.295 2.189 20 0 GEADLO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368645303 647762643 /nfs/dbraw/zinc/76/26/43/647762643.db2.gz QVJFQIWZTJTCHV-CJNGLKHVSA-N 1 2 388.295 2.189 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000368829087 647766081 /nfs/dbraw/zinc/76/60/81/647766081.db2.gz JAFRGQVJLGUTFB-GFCCVEGCSA-N 1 2 388.295 2.041 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000368829087 647766083 /nfs/dbraw/zinc/76/60/83/647766083.db2.gz JAFRGQVJLGUTFB-GFCCVEGCSA-N 1 2 388.295 2.041 20 0 GEADLO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)Cc3ccccc3Br)C2)CC1 ZINC000369039195 647767610 /nfs/dbraw/zinc/76/76/10/647767610.db2.gz WNXFFXKFVXEXIL-INIZCTEOSA-N 1 2 394.357 2.478 20 0 GEADLO CCN(C(=O)NC1CC[NH+](Cc2cccs2)CC1)[C@@H](C)CS(C)(=O)=O ZINC000369227790 647772796 /nfs/dbraw/zinc/77/27/96/647772796.db2.gz AXKWYEFBENPGCN-AWEZNQCLSA-N 1 2 387.571 2.177 20 0 GEADLO O=C(c1cnn2cc(Br)cnc12)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371465378 647793999 /nfs/dbraw/zinc/79/39/99/647793999.db2.gz CPQMIWBLKILYST-UHFFFAOYSA-N 1 2 375.230 2.235 20 0 GEADLO O=C(c1cnn2cc(Br)cnc12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371465378 647794004 /nfs/dbraw/zinc/79/40/04/647794004.db2.gz CPQMIWBLKILYST-UHFFFAOYSA-N 1 2 375.230 2.235 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000374348697 647822233 /nfs/dbraw/zinc/82/22/33/647822233.db2.gz GOQPAUYFUFQROU-NSHDSACASA-N 1 2 383.857 2.038 20 0 GEADLO CN(C)c1noc([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)n1 ZINC000374636973 647823293 /nfs/dbraw/zinc/82/32/93/647823293.db2.gz PHSGQTVNDRLIFP-LLVKDONJSA-N 1 2 383.905 2.346 20 0 GEADLO CN(C)c1noc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)n1 ZINC000374636973 647823299 /nfs/dbraw/zinc/82/32/99/647823299.db2.gz PHSGQTVNDRLIFP-LLVKDONJSA-N 1 2 383.905 2.346 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCCCn2cc(Br)cn2)C1 ZINC000376439054 647846657 /nfs/dbraw/zinc/84/66/57/647846657.db2.gz ALFSHAAIUFAOFU-CYBMUJFWSA-N 1 2 395.305 2.358 20 0 GEADLO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]21 ZINC000376933696 647850512 /nfs/dbraw/zinc/85/05/12/647850512.db2.gz PIYQFIOYAALCFC-CJNGLKHVSA-N 1 2 384.929 2.445 20 0 GEADLO C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]21 ZINC000376933696 647850516 /nfs/dbraw/zinc/85/05/16/647850516.db2.gz PIYQFIOYAALCFC-CJNGLKHVSA-N 1 2 384.929 2.445 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000401656807 647903393 /nfs/dbraw/zinc/90/33/93/647903393.db2.gz VBPVGXSFBTVKGX-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000408387511 647949873 /nfs/dbraw/zinc/94/98/73/647949873.db2.gz RNZZZJUYAOCNQZ-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[N@H+]1CC(C)(C)O ZINC000408387511 647949878 /nfs/dbraw/zinc/94/98/78/647949878.db2.gz RNZZZJUYAOCNQZ-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO O=C(Cn1cc(Br)cn1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409453701 647962656 /nfs/dbraw/zinc/96/26/56/647962656.db2.gz PZIVBGHCGCIUAI-UHFFFAOYSA-N 1 2 378.205 2.287 20 0 GEADLO C[C@H](Oc1ccc(I)cc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000409684133 647978227 /nfs/dbraw/zinc/97/82/27/647978227.db2.gz HHUUXNAERSOZKK-JTQLQIEISA-N 1 2 385.205 2.141 20 0 GEADLO C[C@H](O)C(=O)N1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000409729026 647981087 /nfs/dbraw/zinc/98/10/87/647981087.db2.gz QHGKSPVFJOPBOL-JTQLQIEISA-N 1 2 382.233 2.166 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCc1ccc(Br)s1 ZINC000413067979 648059998 /nfs/dbraw/zinc/05/99/98/648059998.db2.gz HLMBGYYIUWDETA-UHFFFAOYSA-N 1 2 390.347 2.463 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C[C@H]1C ZINC000416454848 648130160 /nfs/dbraw/zinc/13/01/60/648130160.db2.gz SUVSEMICUOVCAP-VXGBXAGGSA-N 1 2 376.906 2.460 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C[C@H]1C ZINC000416454848 648130166 /nfs/dbraw/zinc/13/01/66/648130166.db2.gz SUVSEMICUOVCAP-VXGBXAGGSA-N 1 2 376.906 2.460 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000416535422 648163830 /nfs/dbraw/zinc/16/38/30/648163830.db2.gz MIEBGZRAFNWUNF-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC000416536106 648164700 /nfs/dbraw/zinc/16/47/00/648164700.db2.gz OTWYDDVYRNJRDF-UHFFFAOYSA-N 1 2 387.889 2.010 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416651017 648202635 /nfs/dbraw/zinc/20/26/35/648202635.db2.gz AYLXUQQDKUONFE-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416651017 648202640 /nfs/dbraw/zinc/20/26/40/648202640.db2.gz AYLXUQQDKUONFE-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1C(F)(F)F ZINC000416671832 648208227 /nfs/dbraw/zinc/20/82/27/648208227.db2.gz XDYYUCTYKSSMPA-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1C(F)(F)F ZINC000416671832 648208229 /nfs/dbraw/zinc/20/82/29/648208229.db2.gz XDYYUCTYKSSMPA-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO COc1cc(F)c(Br)cc1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417559627 648252395 /nfs/dbraw/zinc/25/23/95/648252395.db2.gz YDPODKZUJYBEMJ-SNVBAGLBSA-N 1 2 390.253 2.439 20 0 GEADLO COc1cc(F)c(Br)cc1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417559627 648252397 /nfs/dbraw/zinc/25/23/97/648252397.db2.gz YDPODKZUJYBEMJ-SNVBAGLBSA-N 1 2 390.253 2.439 20 0 GEADLO COCCCN(C)CC[NH2+]Cc1ccc(F)cc1I ZINC000417955820 648267383 /nfs/dbraw/zinc/26/73/83/648267383.db2.gz HJBACXOFXLURMD-UHFFFAOYSA-N 1 2 380.245 2.488 20 0 GEADLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCOc1cc(Cl)ccc1Cl ZINC000419348581 648349343 /nfs/dbraw/zinc/34/93/43/648349343.db2.gz SNKWURZADYISQU-CYBMUJFWSA-N 1 2 375.252 2.126 20 0 GEADLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCOc1cc(Cl)ccc1Cl ZINC000419348581 648349345 /nfs/dbraw/zinc/34/93/45/648349345.db2.gz SNKWURZADYISQU-CYBMUJFWSA-N 1 2 375.252 2.126 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)SCc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000419500866 648354589 /nfs/dbraw/zinc/35/45/89/648354589.db2.gz AOFOQMCNZZTPIW-HNNXBMFYSA-N 1 2 384.567 2.266 20 0 GEADLO COc1cccc([C@@H](CNC(=O)c2ccc(S(C)(=O)=O)s2)[NH+](C)C)c1 ZINC000421742238 648506567 /nfs/dbraw/zinc/50/65/67/648506567.db2.gz RHHFPUSRUKHKQU-CQSZACIVSA-N 1 2 382.507 2.193 20 0 GEADLO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc(S(C)(=O)=O)s2)cc1 ZINC000421873172 648509842 /nfs/dbraw/zinc/50/98/42/648509842.db2.gz DSWYFHZFZJBVPT-AWEZNQCLSA-N 1 2 382.507 2.193 20 0 GEADLO Cc1cc(CNC(=O)C(=O)NCCc2cccc(Br)c2)cc(C)[nH+]1 ZINC000422479709 648549887 /nfs/dbraw/zinc/54/98/87/648549887.db2.gz SENLMQRATCAZLE-UHFFFAOYSA-N 1 2 390.281 2.436 20 0 GEADLO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]([NH3+])c2cscn2)ccc1C ZINC000422912630 648577373 /nfs/dbraw/zinc/57/73/73/648577373.db2.gz NSMZVUMQZFNNMD-OAHLLOKOSA-N 1 2 382.511 2.121 20 0 GEADLO [NH3+][C@H](C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1cscn1 ZINC000423209268 648587845 /nfs/dbraw/zinc/58/78/45/648587845.db2.gz ITSQFGDVOBNCTD-ZDUSSCGKSA-N 1 2 375.845 2.288 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCCCS(C)(=O)=O)n2)C1 ZINC000424110241 648613674 /nfs/dbraw/zinc/61/36/74/648613674.db2.gz XUTQGFVUCVIPNS-ZDUSSCGKSA-N 1 2 388.559 2.321 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCCCS(C)(=O)=O)n2)C1 ZINC000424110241 648613678 /nfs/dbraw/zinc/61/36/78/648613678.db2.gz XUTQGFVUCVIPNS-ZDUSSCGKSA-N 1 2 388.559 2.321 20 0 GEADLO COc1ncc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC000424539874 648633434 /nfs/dbraw/zinc/63/34/34/648633434.db2.gz SGHVCYUHWSBLHW-UHFFFAOYSA-N 1 2 377.242 2.210 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2C)CC1 ZINC000425212089 648672024 /nfs/dbraw/zinc/67/20/24/648672024.db2.gz ZDOAGQSSHIDKQR-UHFFFAOYSA-N 1 2 390.933 2.388 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000426181329 648706829 /nfs/dbraw/zinc/70/68/29/648706829.db2.gz ZJCZDNKYGZRYDR-RISCZKNCSA-N 1 2 384.889 2.465 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000426181329 648706836 /nfs/dbraw/zinc/70/68/36/648706836.db2.gz ZJCZDNKYGZRYDR-RISCZKNCSA-N 1 2 384.889 2.465 20 0 GEADLO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427061982 648721821 /nfs/dbraw/zinc/72/18/21/648721821.db2.gz OSLDJQBTNWRKQC-SNVBAGLBSA-N 1 2 397.660 2.369 20 0 GEADLO COc1ccc(Br)c(C[N@H+](C)CCCS(=O)(=O)N(C)C)c1 ZINC000429293714 648749713 /nfs/dbraw/zinc/74/97/13/648749713.db2.gz OHFJCZSVHVHIJP-UHFFFAOYSA-N 1 2 379.320 2.171 20 0 GEADLO COc1ccc(Br)c(C[N@@H+](C)CCCS(=O)(=O)N(C)C)c1 ZINC000429293714 648749717 /nfs/dbraw/zinc/74/97/17/648749717.db2.gz OHFJCZSVHVHIJP-UHFFFAOYSA-N 1 2 379.320 2.171 20 0 GEADLO C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ncc(Br)cn1 ZINC000432515052 648777101 /nfs/dbraw/zinc/77/71/01/648777101.db2.gz PUGZXWJMGIGAIV-SNVBAGLBSA-N 1 2 375.230 2.447 20 0 GEADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2csc(Cl)c2Cl)CC1 ZINC000432743383 648779208 /nfs/dbraw/zinc/77/92/08/648779208.db2.gz ZAJBSRQVQKWKJP-LBPRGKRZSA-N 1 2 392.352 2.420 20 0 GEADLO Cc1ccc([C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435895878 648789362 /nfs/dbraw/zinc/78/93/62/648789362.db2.gz CWKZGMXEVUGFST-IUODEOHRSA-N 1 2 380.432 2.080 20 0 GEADLO CC[C@H]1CN(C(=O)c2cc(F)cc(Br)c2O)CC[N@@H+]1C[C@@H](C)O ZINC000436852713 648796587 /nfs/dbraw/zinc/79/65/87/648796587.db2.gz AXWIMOXINPFWKO-PWSUYJOCSA-N 1 2 389.265 2.211 20 0 GEADLO CC[C@H]1CN(C(=O)c2cc(F)cc(Br)c2O)CC[N@H+]1C[C@@H](C)O ZINC000436852713 648796589 /nfs/dbraw/zinc/79/65/89/648796589.db2.gz AXWIMOXINPFWKO-PWSUYJOCSA-N 1 2 389.265 2.211 20 0 GEADLO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)cc(Br)c1O ZINC000436857850 648797523 /nfs/dbraw/zinc/79/75/23/648797523.db2.gz LNCBMMJJTMRKLL-GFCCVEGCSA-N 1 2 389.265 2.261 20 0 GEADLO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)cc(Br)c1O ZINC000436857850 648797527 /nfs/dbraw/zinc/79/75/27/648797527.db2.gz LNCBMMJJTMRKLL-GFCCVEGCSA-N 1 2 389.265 2.261 20 0 GEADLO CS[C@@H]1CCCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000441103164 648820370 /nfs/dbraw/zinc/82/03/70/648820370.db2.gz KENAHMVJZJWEBS-LLVKDONJSA-N 1 2 391.946 2.143 20 0 GEADLO CS[C@@H]1CCCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000441103164 648820373 /nfs/dbraw/zinc/82/03/73/648820373.db2.gz KENAHMVJZJWEBS-LLVKDONJSA-N 1 2 391.946 2.143 20 0 GEADLO COC(=O)C[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000441144920 648821595 /nfs/dbraw/zinc/82/15/95/648821595.db2.gz VHIPDHQWBPFIRD-CYBMUJFWSA-N 1 2 390.299 2.250 20 0 GEADLO COC(=O)C[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000441144920 648821602 /nfs/dbraw/zinc/82/16/02/648821602.db2.gz VHIPDHQWBPFIRD-CYBMUJFWSA-N 1 2 390.299 2.250 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)N(CCC(C)C)CCC(C)C)CC1 ZINC000443307216 648871777 /nfs/dbraw/zinc/87/17/77/648871777.db2.gz BZHAACHJFDFHNW-SFHVURJKSA-N 1 2 377.595 2.014 20 0 GEADLO OCCNc1nc(NCc2ccc(F)cc2Br)[nH+]c2ccccc21 ZINC000548616168 651081968 /nfs/dbraw/zinc/08/19/68/651081968.db2.gz GQQOMGCTGHUMHP-UHFFFAOYSA-N 1 2 391.244 2.392 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000548623689 651082071 /nfs/dbraw/zinc/08/20/71/651082071.db2.gz WAZALADXWPHLGJ-SECBINFHSA-N 1 2 376.265 2.492 20 0 GEADLO Cn1c[nH+]cc1CC(=O)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000548779959 651085891 /nfs/dbraw/zinc/08/58/91/651085891.db2.gz NAROHTXSAAASTF-UHFFFAOYSA-N 1 2 378.205 2.893 20 0 GEADLO COc1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)c(Br)c1O ZINC000549799894 651101034 /nfs/dbraw/zinc/10/10/34/651101034.db2.gz GAQMEZVBTIMUTD-UHFFFAOYSA-N 1 2 394.269 3.007 20 0 GEADLO NS(=O)(=O)c1sc(Cl)cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000550127225 651105285 /nfs/dbraw/zinc/10/52/85/651105285.db2.gz GNJUDMVXWXHWFG-UHFFFAOYSA-N 1 2 399.925 2.007 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)CCCOc1cccc(Br)c1 ZINC000550463178 651112040 /nfs/dbraw/zinc/11/20/40/651112040.db2.gz LJAOFSQMEXHXQW-UHFFFAOYSA-N 1 2 385.302 2.399 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(Cl)c(F)cc1Cl ZINC000550912607 651116319 /nfs/dbraw/zinc/11/63/19/651116319.db2.gz WNJNBPIQIVQSOQ-UHFFFAOYSA-N 1 2 387.242 2.914 20 0 GEADLO CN(Cc1cccc(Br)c1)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000551629228 651128140 /nfs/dbraw/zinc/12/81/40/651128140.db2.gz AUNIARIQTMRVQC-UHFFFAOYSA-N 1 2 393.285 2.201 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@H]1SCCc3sccc31)C2 ZINC000552007154 651137614 /nfs/dbraw/zinc/13/76/14/651137614.db2.gz LJYHCLFBHIUWLZ-PXAZEXFGSA-N 1 2 377.535 2.249 20 0 GEADLO CCn1ccnc1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000552020996 651138197 /nfs/dbraw/zinc/13/81/97/651138197.db2.gz NZDQSHCPSFIMIS-UHFFFAOYSA-N 1 2 377.297 2.278 20 0 GEADLO COc1cc(Br)ccc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000552110929 651140737 /nfs/dbraw/zinc/14/07/37/651140737.db2.gz IFECFIZUPMURGJ-HNNXBMFYSA-N 1 2 381.274 2.379 20 0 GEADLO COc1cc(Br)ccc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000552110929 651140739 /nfs/dbraw/zinc/14/07/39/651140739.db2.gz IFECFIZUPMURGJ-HNNXBMFYSA-N 1 2 381.274 2.379 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cscc2Br)CC1 ZINC000552300153 651146113 /nfs/dbraw/zinc/14/61/13/651146113.db2.gz XEQBTXWEYUQKPC-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2csc(C)n2)c1 ZINC000552564036 651152696 /nfs/dbraw/zinc/15/26/96/651152696.db2.gz NPFVVVSLDLLHFU-QWRGUYRKSA-N 1 2 382.511 2.037 20 0 GEADLO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000553796886 651189068 /nfs/dbraw/zinc/18/90/68/651189068.db2.gz ZNHFSNREOSQYMJ-NHYWBVRUSA-N 1 2 382.233 2.197 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000554329069 651202242 /nfs/dbraw/zinc/20/22/42/651202242.db2.gz JYMNOCDEWTVQMV-UHFFFAOYSA-N 1 2 381.263 2.254 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(C(F)F)cc1)[NH+]1CCOCC1 ZINC000555286718 651221862 /nfs/dbraw/zinc/22/18/62/651221862.db2.gz CDIDNXAZQNQWNK-MRXNPFEDSA-N 1 2 376.469 2.400 20 0 GEADLO Brc1cncc([C@@H]([NH2+]Cc2nnnn2C2CCOCC2)C2CC2)c1 ZINC000556521899 651245926 /nfs/dbraw/zinc/24/59/26/651245926.db2.gz AQILQEPXTIKBGZ-INIZCTEOSA-N 1 2 393.289 2.423 20 0 GEADLO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000560641088 651313318 /nfs/dbraw/zinc/31/33/18/651313318.db2.gz QSIXLNBLIMIOIT-CQSZACIVSA-N 1 2 381.885 2.222 20 0 GEADLO CO[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000728050724 651535544 /nfs/dbraw/zinc/53/55/44/651535544.db2.gz YMVCRNGRUAYAGT-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO CO[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000728050724 651535546 /nfs/dbraw/zinc/53/55/46/651535546.db2.gz YMVCRNGRUAYAGT-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO O=C(c1nc(C2CC2)ncc1Br)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000644448808 651546049 /nfs/dbraw/zinc/54/60/49/651546049.db2.gz CIZDCKPYNIYLRD-CYBMUJFWSA-N 1 2 395.301 2.053 20 0 GEADLO CCCSc1nsc(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)n1 ZINC000564437217 651566876 /nfs/dbraw/zinc/56/68/76/651566876.db2.gz APXAVXDZJMVLBJ-UHFFFAOYSA-N 1 2 379.515 2.493 20 0 GEADLO CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)Cn1cc[nH+]c1 ZINC000564645552 651572786 /nfs/dbraw/zinc/57/27/86/651572786.db2.gz WCFFEMKSKBOPSI-UHFFFAOYSA-N 1 2 396.285 2.454 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cn3nc(-c4cccs4)oc3=S)CC2)cn1 ZINC000729987214 651586560 /nfs/dbraw/zinc/58/65/60/651586560.db2.gz WTVBBVWHGZUOHO-UHFFFAOYSA-N 1 2 376.511 2.443 20 0 GEADLO COc1cc(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)c(Br)cc1O ZINC000645178622 651591711 /nfs/dbraw/zinc/59/17/11/651591711.db2.gz ODXWTJADANVECQ-SNVBAGLBSA-N 1 2 383.246 2.248 20 0 GEADLO OCc1cn([C@@H]2CCC[N@H+](Cc3cn4cc(Br)ccc4n3)C2)nn1 ZINC000645182084 651592569 /nfs/dbraw/zinc/59/25/69/651592569.db2.gz GKXNWXHGGDGFSU-OAHLLOKOSA-N 1 2 391.273 2.018 20 0 GEADLO OCc1cn([C@@H]2CCC[N@@H+](Cc3cn4cc(Br)ccc4n3)C2)nn1 ZINC000645182084 651592571 /nfs/dbraw/zinc/59/25/71/651592571.db2.gz GKXNWXHGGDGFSU-OAHLLOKOSA-N 1 2 391.273 2.018 20 0 GEADLO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000566775660 651612108 /nfs/dbraw/zinc/61/21/08/651612108.db2.gz FQPKGRTVCGCQOP-OAHLLOKOSA-N 1 2 395.301 2.019 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000731569371 651628604 /nfs/dbraw/zinc/62/86/04/651628604.db2.gz JMOXVCMRQAVGQE-UHFFFAOYSA-N 1 2 393.937 2.275 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cn2nc(C)c(Br)c2C)C1 ZINC000731659010 651630372 /nfs/dbraw/zinc/63/03/72/651630372.db2.gz LHEVBSQXFXKBGN-FZMZJTMJSA-N 1 2 387.322 2.083 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cn2nc(C)c(Br)c2C)C1 ZINC000731659010 651630381 /nfs/dbraw/zinc/63/03/81/651630381.db2.gz LHEVBSQXFXKBGN-FZMZJTMJSA-N 1 2 387.322 2.083 20 0 GEADLO C[C@H]1C[C@@H](CO)CC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000567958418 651641369 /nfs/dbraw/zinc/64/13/69/651641369.db2.gz KZUFWQNCIHYYFM-STQMWFEESA-N 1 2 376.316 2.316 20 0 GEADLO C[C@H]1C[C@@H](CO)CC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000567958418 651641373 /nfs/dbraw/zinc/64/13/73/651641373.db2.gz KZUFWQNCIHYYFM-STQMWFEESA-N 1 2 376.316 2.316 20 0 GEADLO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCn2nncc2C1 ZINC000568172630 651654451 /nfs/dbraw/zinc/65/44/51/651654451.db2.gz XPGPGVFDXAEVRF-MRXNPFEDSA-N 1 2 390.285 2.220 20 0 GEADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000568208684 651656224 /nfs/dbraw/zinc/65/62/24/651656224.db2.gz UFJYVOXAIFJBTJ-CQSZACIVSA-N 1 2 382.555 2.485 20 0 GEADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000568208684 651656226 /nfs/dbraw/zinc/65/62/26/651656226.db2.gz UFJYVOXAIFJBTJ-CQSZACIVSA-N 1 2 382.555 2.485 20 0 GEADLO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)C1 ZINC000568666752 651675143 /nfs/dbraw/zinc/67/51/43/651675143.db2.gz ZZSWSHVAZUZHOA-GRDNDAEWSA-N 1 2 384.929 2.302 20 0 GEADLO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)C1 ZINC000568666752 651675149 /nfs/dbraw/zinc/67/51/49/651675149.db2.gz ZZSWSHVAZUZHOA-GRDNDAEWSA-N 1 2 384.929 2.302 20 0 GEADLO O=S(=O)(/C=C\c1ccc(Br)cc1)NCC[NH+]1CCSCC1 ZINC000732815988 651676483 /nfs/dbraw/zinc/67/64/83/651676483.db2.gz ZAQJGMNPWNDKGV-XGICHPGQSA-N 1 2 391.356 2.388 20 0 GEADLO C[C@@H](SCCn1cc(Cl)cn1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000568731079 651677815 /nfs/dbraw/zinc/67/78/15/651677815.db2.gz KMLCHWVXIOVVOH-CQSZACIVSA-N 1 2 379.917 2.402 20 0 GEADLO CC[N@@H+](Cc1cccc(Br)c1)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000733295075 651698870 /nfs/dbraw/zinc/69/88/70/651698870.db2.gz URASQGGMLMEVRI-INIZCTEOSA-N 1 2 384.274 2.185 20 0 GEADLO CC[N@H+](Cc1cccc(Br)c1)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000733295075 651698875 /nfs/dbraw/zinc/69/88/75/651698875.db2.gz URASQGGMLMEVRI-INIZCTEOSA-N 1 2 384.274 2.185 20 0 GEADLO O=C(c1cncc(I)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611133897 651709640 /nfs/dbraw/zinc/70/96/40/651709640.db2.gz SZODYOJYIVLCLD-ZDUSSCGKSA-N 1 2 382.205 2.360 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000570106815 651747327 /nfs/dbraw/zinc/74/73/27/651747327.db2.gz HOXDOUKTQTXFGV-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000570106815 651747331 /nfs/dbraw/zinc/74/73/31/651747331.db2.gz HOXDOUKTQTXFGV-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO Cc1nn(C)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1Br ZINC000647984207 651767904 /nfs/dbraw/zinc/76/79/04/651767904.db2.gz MXJOVYNSAXPMJN-NSHDSACASA-N 1 2 379.262 2.286 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000570661783 651781091 /nfs/dbraw/zinc/78/10/91/651781091.db2.gz QHPRQUVHBWJOKT-VBNZEHGJSA-N 1 2 382.302 2.325 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000570661783 651781099 /nfs/dbraw/zinc/78/10/99/651781099.db2.gz QHPRQUVHBWJOKT-VBNZEHGJSA-N 1 2 382.302 2.325 20 0 GEADLO COCCNC(=O)C1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000735482095 651783804 /nfs/dbraw/zinc/78/38/04/651783804.db2.gz ZLOGIRLXLPVYQN-UHFFFAOYSA-N 1 2 395.301 2.231 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1F)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000570816726 651793605 /nfs/dbraw/zinc/79/36/05/651793605.db2.gz UBKJXSQUYSRDQM-CYBMUJFWSA-N 1 2 376.881 2.355 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000735754744 651794685 /nfs/dbraw/zinc/79/46/85/651794685.db2.gz ATJXVFUEIRKLBS-XHDPSFHLSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000735754744 651794692 /nfs/dbraw/zinc/79/46/92/651794692.db2.gz ATJXVFUEIRKLBS-XHDPSFHLSA-N 1 2 376.284 2.047 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2c(F)ccc(Br)c2OC)CC1 ZINC000648778359 651801675 /nfs/dbraw/zinc/80/16/75/651801675.db2.gz WCFCSESYICQLIP-UHFFFAOYSA-N 1 2 389.265 2.391 20 0 GEADLO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CCS(N)(=O)=O)CC2 ZINC000735919722 651802607 /nfs/dbraw/zinc/80/26/07/651802607.db2.gz QKLSBFHGLGIMKQ-KRWDZBQOSA-N 1 2 382.507 2.001 20 0 GEADLO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CCS(N)(=O)=O)CC2 ZINC000735919722 651802610 /nfs/dbraw/zinc/80/26/10/651802610.db2.gz QKLSBFHGLGIMKQ-KRWDZBQOSA-N 1 2 382.507 2.001 20 0 GEADLO COc1ccc(Br)cc1C(=O)CCC(=O)NCc1c[nH+]cn1C ZINC000570980111 651803805 /nfs/dbraw/zinc/80/38/05/651803805.db2.gz KRDQAGFASOLERV-UHFFFAOYSA-N 1 2 380.242 2.471 20 0 GEADLO COC[C@H](OC)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000614440002 651827755 /nfs/dbraw/zinc/82/77/55/651827755.db2.gz DWVFMQNOWMJZEM-INIZCTEOSA-N 1 2 396.285 2.336 20 0 GEADLO Cc1nccc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)C2)n1 ZINC000649490918 651827983 /nfs/dbraw/zinc/82/79/83/651827983.db2.gz VKGYDNQPZIROOC-CQSZACIVSA-N 1 2 380.901 2.465 20 0 GEADLO Cc1nccc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)C2)n1 ZINC000649490918 651827987 /nfs/dbraw/zinc/82/79/87/651827987.db2.gz VKGYDNQPZIROOC-CQSZACIVSA-N 1 2 380.901 2.465 20 0 GEADLO O=C(CNC(=O)c1ccsc1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614672702 651831999 /nfs/dbraw/zinc/83/19/99/651831999.db2.gz YWZYVHOPTPKDPV-UHFFFAOYSA-N 1 2 378.523 2.099 20 0 GEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000614701315 651833886 /nfs/dbraw/zinc/83/38/86/651833886.db2.gz SXMGNBHBTPGBNV-IMJJTQAJSA-N 1 2 391.269 2.249 20 0 GEADLO C[C@H]1CC[C@H]([N@H+](CCO)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000571569414 651841214 /nfs/dbraw/zinc/84/12/14/651841214.db2.gz BXDYAGMMNRTKNI-STQMWFEESA-N 1 2 388.917 2.165 20 0 GEADLO C[C@H]1CC[C@H]([N@@H+](CCO)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000571569414 651841216 /nfs/dbraw/zinc/84/12/16/651841216.db2.gz BXDYAGMMNRTKNI-STQMWFEESA-N 1 2 388.917 2.165 20 0 GEADLO Cc1c(Br)ccnc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000571744984 651850804 /nfs/dbraw/zinc/85/08/04/651850804.db2.gz DBWOFEZSXFLXBL-AAEUAGOBSA-N 1 2 383.290 2.479 20 0 GEADLO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000615263374 651858044 /nfs/dbraw/zinc/85/80/44/651858044.db2.gz AVGSYFLLAPCFRH-KGLIPLIRSA-N 1 2 387.249 2.229 20 0 GEADLO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000615263374 651858047 /nfs/dbraw/zinc/85/80/47/651858047.db2.gz AVGSYFLLAPCFRH-KGLIPLIRSA-N 1 2 387.249 2.229 20 0 GEADLO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000615263375 651858232 /nfs/dbraw/zinc/85/82/32/651858232.db2.gz AVGSYFLLAPCFRH-UONOGXRCSA-N 1 2 387.249 2.229 20 0 GEADLO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000615263375 651858234 /nfs/dbraw/zinc/85/82/34/651858234.db2.gz AVGSYFLLAPCFRH-UONOGXRCSA-N 1 2 387.249 2.229 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615539696 651866131 /nfs/dbraw/zinc/86/61/31/651866131.db2.gz ZLDABMVIPQSJGW-CYBMUJFWSA-N 1 2 398.301 2.098 20 0 GEADLO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615553001 651867614 /nfs/dbraw/zinc/86/76/14/651867614.db2.gz JVIZQBSAOBKHPF-CYBMUJFWSA-N 1 2 397.269 2.115 20 0 GEADLO COCC[N@@H+]1CCN(C(=O)C(=O)c2ccc(Br)cc2)C(C)(C)C1 ZINC000650831425 651867680 /nfs/dbraw/zinc/86/76/80/651867680.db2.gz CQWCAZHCTWTZAM-UHFFFAOYSA-N 1 2 383.286 2.201 20 0 GEADLO COCC[N@H+]1CCN(C(=O)C(=O)c2ccc(Br)cc2)C(C)(C)C1 ZINC000650831425 651867682 /nfs/dbraw/zinc/86/76/82/651867682.db2.gz CQWCAZHCTWTZAM-UHFFFAOYSA-N 1 2 383.286 2.201 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651108505 651872538 /nfs/dbraw/zinc/87/25/38/651872538.db2.gz OYZMPGVPSJQKNV-TZMCWYRMSA-N 1 2 383.286 2.152 20 0 GEADLO C[C@H](c1nnc(SCc2nnn(C)n2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000572101724 651872833 /nfs/dbraw/zinc/87/28/33/651872833.db2.gz TUISRWNLPBGEEE-SNVBAGLBSA-N 1 2 378.893 2.359 20 0 GEADLO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC000651203573 651875677 /nfs/dbraw/zinc/87/56/77/651875677.db2.gz YSTQXGIPNRAMLD-INIZCTEOSA-N 1 2 382.551 2.307 20 0 GEADLO CCOC(=O)COCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000572204849 651878778 /nfs/dbraw/zinc/87/87/78/651878778.db2.gz JYRJGSITCKEVHM-UHFFFAOYSA-N 1 2 389.279 2.331 20 0 GEADLO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000651490120 651882732 /nfs/dbraw/zinc/88/27/32/651882732.db2.gz AVRFTMBILOQUTR-HUUCEWRRSA-N 1 2 395.297 2.248 20 0 GEADLO O=C1C(=O)N(CN2CCC[C@H](n3cc[nH+]c3)C2)c2cc(Br)ccc21 ZINC000738159090 651882882 /nfs/dbraw/zinc/88/28/82/651882882.db2.gz RALOHSHVPZZXAQ-ZDUSSCGKSA-N 1 2 389.253 2.470 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H](CO)c1ccc(Br)cc1 ZINC000651641292 651892433 /nfs/dbraw/zinc/89/24/33/651892433.db2.gz MABWGBJDLLCLQV-OAHLLOKOSA-N 1 2 378.270 2.374 20 0 GEADLO O=S(=O)(NCC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000572596714 651902641 /nfs/dbraw/zinc/90/26/41/651902641.db2.gz UMQRTROFALPEIW-QZTJIDSGSA-N 1 2 380.897 2.426 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000572596714 651902644 /nfs/dbraw/zinc/90/26/44/651902644.db2.gz UMQRTROFALPEIW-QZTJIDSGSA-N 1 2 380.897 2.426 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cc(Br)cc(C)c2C)CC1 ZINC000616578713 651905251 /nfs/dbraw/zinc/90/52/51/651905251.db2.gz SNGCTINDDRFGMJ-UHFFFAOYSA-N 1 2 399.329 2.487 20 0 GEADLO COc1ccc(I)c(NC(=O)NCc2c[nH+]cn2C)c1 ZINC000572922170 651921791 /nfs/dbraw/zinc/92/17/91/651921791.db2.gz GLLCMKLGWUESQP-UHFFFAOYSA-N 1 2 386.193 2.355 20 0 GEADLO CSC1(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CCOCC1 ZINC000573430060 651955010 /nfs/dbraw/zinc/95/50/10/651955010.db2.gz AMGWSYKXEOEZER-UHFFFAOYSA-N 1 2 381.523 2.122 20 0 GEADLO NS(=O)(=O)c1ccsc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000654967929 651967822 /nfs/dbraw/zinc/96/78/22/651967822.db2.gz CZNZWGBTCRKSHU-UHFFFAOYSA-N 1 2 386.524 2.090 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000617725551 651968478 /nfs/dbraw/zinc/96/84/78/651968478.db2.gz LTAJEAXNNAQSEK-NEPJUHHUSA-N 1 2 393.285 2.231 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000617725551 651968486 /nfs/dbraw/zinc/96/84/86/651968486.db2.gz LTAJEAXNNAQSEK-NEPJUHHUSA-N 1 2 393.285 2.231 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000617734730 651968747 /nfs/dbraw/zinc/96/87/47/651968747.db2.gz HDJXMFXPROCXHL-MNOVXSKESA-N 1 2 385.258 2.017 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000617734730 651968755 /nfs/dbraw/zinc/96/87/55/651968755.db2.gz HDJXMFXPROCXHL-MNOVXSKESA-N 1 2 385.258 2.017 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc3c(c(Br)c2)OCO3)[C@H](C)CO1 ZINC000617734729 651968852 /nfs/dbraw/zinc/96/88/52/651968852.db2.gz HDJXMFXPROCXHL-GHMZBOCLSA-N 1 2 385.258 2.017 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc3c(c(Br)c2)OCO3)[C@H](C)CO1 ZINC000617734729 651968862 /nfs/dbraw/zinc/96/88/62/651968862.db2.gz HDJXMFXPROCXHL-GHMZBOCLSA-N 1 2 385.258 2.017 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)COc1ccc(Br)cc1F ZINC000617744122 651969605 /nfs/dbraw/zinc/96/96/05/651969605.db2.gz SPLNDHLCKZYMQH-NEPJUHHUSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)COc1ccc(Br)cc1F ZINC000617744122 651969613 /nfs/dbraw/zinc/96/96/13/651969613.db2.gz SPLNDHLCKZYMQH-NEPJUHHUSA-N 1 2 389.265 2.192 20 0 GEADLO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000573899008 651986313 /nfs/dbraw/zinc/98/63/13/651986313.db2.gz FLTSTUXFMVGCNT-LBPRGKRZSA-N 1 2 378.274 2.381 20 0 GEADLO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000573899007 651986488 /nfs/dbraw/zinc/98/64/88/651986488.db2.gz FLTSTUXFMVGCNT-GFCCVEGCSA-N 1 2 378.274 2.381 20 0 GEADLO O=C(NCc1ccsc1Br)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000574416086 652019945 /nfs/dbraw/zinc/01/99/45/652019945.db2.gz JDIXWDKEDOYDJL-UHFFFAOYSA-N 1 2 379.239 2.413 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000656548942 652038178 /nfs/dbraw/zinc/03/81/78/652038178.db2.gz TZLYDTZOJVFUJO-HNNXBMFYSA-N 1 2 379.258 2.429 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000575123577 652063600 /nfs/dbraw/zinc/06/36/00/652063600.db2.gz NUVXOKKFXYNTEW-KRWDZBQOSA-N 1 2 381.885 2.217 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)c2ncccc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000656934641 652067647 /nfs/dbraw/zinc/06/76/47/652067647.db2.gz KDAOBHDLDJQFHI-AAEUAGOBSA-N 1 2 385.287 2.312 20 0 GEADLO O=S(=O)(CCc1ccccc1Cl)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000656936345 652068026 /nfs/dbraw/zinc/06/80/26/652068026.db2.gz KAPSBROWKJVDOB-ZWKOTPCHSA-N 1 2 386.945 2.445 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2csc(Br)c2)C1 ZINC000575754073 652075632 /nfs/dbraw/zinc/07/56/32/652075632.db2.gz IAXWRSSKBKEPCL-SNVBAGLBSA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2csc(Br)c2)C1 ZINC000575754073 652075638 /nfs/dbraw/zinc/07/56/38/652075638.db2.gz IAXWRSSKBKEPCL-SNVBAGLBSA-N 1 2 375.288 2.125 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Br)N[C@H]1CCn2cc[nH+]c2C1 ZINC000656963955 652076376 /nfs/dbraw/zinc/07/63/76/652076376.db2.gz DPIDUJPNTNVJHT-LBPRGKRZSA-N 1 2 388.262 2.219 20 0 GEADLO Cc1nc(SCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)n[nH]1 ZINC000746191832 652097278 /nfs/dbraw/zinc/09/72/78/652097278.db2.gz YSLSQUHCIQCGGK-UHFFFAOYSA-N 1 2 380.905 2.249 20 0 GEADLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746470490 652109037 /nfs/dbraw/zinc/10/90/37/652109037.db2.gz WXQRYBLYTJVHCF-YMXBGEKHSA-N 1 2 382.917 2.447 20 0 GEADLO COc1cc(C[NH2+]Cc2c(F)cncc2Br)ccc1OCC(N)=O ZINC000657333697 652161658 /nfs/dbraw/zinc/16/16/58/652161658.db2.gz UQRLUKFGBKGKQI-UHFFFAOYSA-N 1 2 398.232 2.146 20 0 GEADLO Fc1cncc(Br)c1CNc1ccn(CC[NH+]2CCOCC2)n1 ZINC000657401020 652163214 /nfs/dbraw/zinc/16/32/14/652163214.db2.gz NLBIGLMUUJWRLZ-UHFFFAOYSA-N 1 2 384.253 2.124 20 0 GEADLO CCOC(=O)CC[N@H+](Cn1nc(C(=O)OC)c(Br)c1C)C1CC1 ZINC000747786281 652178601 /nfs/dbraw/zinc/17/86/01/652178601.db2.gz GNEYTGZWZTUSGT-UHFFFAOYSA-N 1 2 388.262 2.116 20 0 GEADLO CCOC(=O)CC[N@@H+](Cn1nc(C(=O)OC)c(Br)c1C)C1CC1 ZINC000747786281 652178604 /nfs/dbraw/zinc/17/86/04/652178604.db2.gz GNEYTGZWZTUSGT-UHFFFAOYSA-N 1 2 388.262 2.116 20 0 GEADLO COC(=O)c1nn(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(C)c1Br ZINC000747833639 652181558 /nfs/dbraw/zinc/18/15/58/652181558.db2.gz YLNMNYHALDNBLD-STQMWFEESA-N 1 2 386.290 2.447 20 0 GEADLO COC(=O)c1nn(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(C)c1Br ZINC000747833639 652181573 /nfs/dbraw/zinc/18/15/73/652181573.db2.gz YLNMNYHALDNBLD-STQMWFEESA-N 1 2 386.290 2.447 20 0 GEADLO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000577467953 652190389 /nfs/dbraw/zinc/19/03/89/652190389.db2.gz GXZAZRQHTHYACH-UHFFFAOYSA-N 1 2 383.495 2.041 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2F)C1 ZINC000657757254 652201760 /nfs/dbraw/zinc/20/17/60/652201760.db2.gz DYQAAGSSPYAEBR-JTQLQIEISA-N 1 2 395.232 2.276 20 0 GEADLO C[N@H+](CCCN1CCCC1=O)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000577692696 652207436 /nfs/dbraw/zinc/20/74/36/652207436.db2.gz BJDQHUOKIIETDH-UHFFFAOYSA-N 1 2 392.301 2.474 20 0 GEADLO C[N@@H+](CCCN1CCCC1=O)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000577692696 652207440 /nfs/dbraw/zinc/20/74/40/652207440.db2.gz BJDQHUOKIIETDH-UHFFFAOYSA-N 1 2 392.301 2.474 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000623255272 652229124 /nfs/dbraw/zinc/22/91/24/652229124.db2.gz YSEZJMORXRVIIW-WCQYABFASA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000623255272 652229137 /nfs/dbraw/zinc/22/91/37/652229137.db2.gz YSEZJMORXRVIIW-WCQYABFASA-N 1 2 376.266 2.359 20 0 GEADLO O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623281521 652231208 /nfs/dbraw/zinc/23/12/08/652231208.db2.gz XFOHTDVROVGNHZ-GFCCVEGCSA-N 1 2 375.841 2.420 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)CCCn2cc[nH+]c2)ccc1Br ZINC000623298330 652232572 /nfs/dbraw/zinc/23/25/72/652232572.db2.gz MQCWSMIVJKAUES-UHFFFAOYSA-N 1 2 379.258 2.489 20 0 GEADLO COc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc(OC)c1Br ZINC000623298737 652232952 /nfs/dbraw/zinc/23/29/52/652232952.db2.gz IWVOHPLMLFSGNN-LLVKDONJSA-N 1 2 380.242 2.408 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cscc1Br)C2 ZINC000578018317 652236115 /nfs/dbraw/zinc/23/61/15/652236115.db2.gz IPFHCZDNPKLYAP-SNVBAGLBSA-N 1 2 384.299 2.295 20 0 GEADLO S=C(NC[C@H]1CCOC1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000749640532 652259909 /nfs/dbraw/zinc/25/99/09/652259909.db2.gz PGFUSPFEDSZTOL-OAHLLOKOSA-N 1 2 383.945 2.247 20 0 GEADLO Cn1ncc2c1nc[nH+]c2N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000624380781 652285256 /nfs/dbraw/zinc/28/52/56/652285256.db2.gz RLRYEOGQKYUATF-NSHDSACASA-N 1 2 375.230 2.179 20 0 GEADLO CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC000624941089 652312347 /nfs/dbraw/zinc/31/23/47/652312347.db2.gz TWHZOCADSPUFSI-LBPRGKRZSA-N 1 2 382.873 2.136 20 0 GEADLO O=C(C(=O)N1CCc2ccc(Cl)c(Cl)c2C1)N1CCn2c[nH+]cc2C1 ZINC000658809484 652315483 /nfs/dbraw/zinc/31/54/83/652315483.db2.gz NMUSGZHIJWEDAE-UHFFFAOYSA-N 1 2 379.247 2.117 20 0 GEADLO Cc1cc(C)c(S(=O)(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)s1 ZINC000579360299 652333544 /nfs/dbraw/zinc/33/35/44/652333544.db2.gz BZBZHAAVFNVGBH-UHFFFAOYSA-N 1 2 379.511 2.186 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000751419176 652346847 /nfs/dbraw/zinc/34/68/47/652346847.db2.gz SEVGBTUPNKUMGC-AWEZNQCLSA-N 1 2 379.309 2.071 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000625506253 652350639 /nfs/dbraw/zinc/35/06/39/652350639.db2.gz KFSAVOBDSDABSR-UHFFFAOYSA-N 1 2 376.881 2.355 20 0 GEADLO O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCC([NH+]2CCOCC2)CC1 ZINC000625606352 652361266 /nfs/dbraw/zinc/36/12/66/652361266.db2.gz JYGFVZHMDLQGMW-UHFFFAOYSA-N 1 2 380.844 2.104 20 0 GEADLO O=C1N[C@@H]2CCCC[C@H]2C[C@H]1[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000659827984 652367192 /nfs/dbraw/zinc/36/71/92/652367192.db2.gz ZXYNXAYHZIVOCX-NUEKZKHPSA-N 1 2 393.329 2.413 20 0 GEADLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000580156455 652367967 /nfs/dbraw/zinc/36/79/67/652367967.db2.gz CBTBCMCMPZUQLK-UHFFFAOYSA-N 1 2 378.376 2.144 20 0 GEADLO CCOCC[NH+]1CCN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000659889879 652369781 /nfs/dbraw/zinc/36/97/81/652369781.db2.gz YVDZVCHXGCYTBV-UHFFFAOYSA-N 1 2 395.301 2.162 20 0 GEADLO [NH3+]CC(F)(F)CNS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000580191533 652370092 /nfs/dbraw/zinc/37/00/92/652370092.db2.gz KYEVQOANFNQGLM-UHFFFAOYSA-N 1 2 377.638 2.116 20 0 GEADLO COCCc1nc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)no1 ZINC000625796952 652371948 /nfs/dbraw/zinc/37/19/48/652371948.db2.gz ODIYZLUIELOFJJ-KRWDZBQOSA-N 1 2 396.285 2.031 20 0 GEADLO COC(=O)[C@](C)(O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000580305244 652375098 /nfs/dbraw/zinc/37/50/98/652375098.db2.gz UNNFJDSWKZFTRO-OAHLLOKOSA-N 1 2 380.794 2.405 20 0 GEADLO O=C(NC[C@@H]1CC12CCSCC2)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000580308294 652375107 /nfs/dbraw/zinc/37/51/07/652375107.db2.gz MLSOVJWKJDJTLX-YJBOKZPZSA-N 1 2 385.599 2.027 20 0 GEADLO COC(=O)C[NH+]1CCC(Nc2ccc3nccnc3c2Br)CC1 ZINC000580379286 652378368 /nfs/dbraw/zinc/37/83/68/652378368.db2.gz UHKQUTXJIPKOTQ-UHFFFAOYSA-N 1 2 379.258 2.442 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000626169814 652383865 /nfs/dbraw/zinc/38/38/65/652383865.db2.gz SMOZKVNGYQQNFH-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000626169814 652383866 /nfs/dbraw/zinc/38/38/66/652383866.db2.gz SMOZKVNGYQQNFH-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752941071 652396575 /nfs/dbraw/zinc/39/65/75/652396575.db2.gz NPRBVPJRLWHLLG-XHBSWPGZSA-N 1 2 390.311 2.435 20 0 GEADLO C[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752941071 652396580 /nfs/dbraw/zinc/39/65/80/652396580.db2.gz NPRBVPJRLWHLLG-XHBSWPGZSA-N 1 2 390.311 2.435 20 0 GEADLO C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752949394 652396604 /nfs/dbraw/zinc/39/66/04/652396604.db2.gz GGMCZLZLMBKZNA-BFQNTYOBSA-N 1 2 390.311 2.435 20 0 GEADLO C[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752949394 652396607 /nfs/dbraw/zinc/39/66/07/652396607.db2.gz GGMCZLZLMBKZNA-BFQNTYOBSA-N 1 2 390.311 2.435 20 0 GEADLO CN(C)c1cc[nH+]c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1 ZINC000753014188 652397758 /nfs/dbraw/zinc/39/77/58/652397758.db2.gz YWXKRPDMKVGEMW-UHFFFAOYSA-N 1 2 382.873 2.304 20 0 GEADLO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000580958123 652398338 /nfs/dbraw/zinc/39/83/38/652398338.db2.gz WJMGEFPPQZCWMH-LSDHHAIUSA-N 1 2 392.297 2.175 20 0 GEADLO COc1ccc(Br)c(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000660359622 652399496 /nfs/dbraw/zinc/39/94/96/652399496.db2.gz QTPKOTFVWAEEDM-CQSZACIVSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660429340 652401901 /nfs/dbraw/zinc/40/19/01/652401901.db2.gz RHXFSBVWPRRAFZ-PBHICJAKSA-N 1 2 396.329 2.496 20 0 GEADLO COCC[N@H+](CC(=O)c1c[nH]c2ncc(Br)cc12)[C@@H]1CCOC1 ZINC000660432684 652402033 /nfs/dbraw/zinc/40/20/33/652402033.db2.gz PQPGJLJXGHWZBT-GFCCVEGCSA-N 1 2 382.258 2.245 20 0 GEADLO COCC[N@@H+](CC(=O)c1c[nH]c2ncc(Br)cc12)[C@@H]1CCOC1 ZINC000660432684 652402038 /nfs/dbraw/zinc/40/20/38/652402038.db2.gz PQPGJLJXGHWZBT-GFCCVEGCSA-N 1 2 382.258 2.245 20 0 GEADLO C[C@@H](CN1CCOCC1)[N@H+](C)CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660438142 652402078 /nfs/dbraw/zinc/40/20/78/652402078.db2.gz SBGZBZVTISZMSQ-LBPRGKRZSA-N 1 2 395.301 2.161 20 0 GEADLO C[C@@H](CN1CCOCC1)[N@@H+](C)CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660438142 652402083 /nfs/dbraw/zinc/40/20/83/652402083.db2.gz SBGZBZVTISZMSQ-LBPRGKRZSA-N 1 2 395.301 2.161 20 0 GEADLO Nc1n[nH]c(C2CC[NH+](Cc3nc4cc(Br)ccc4[nH]3)CC2)n1 ZINC000660566201 652406717 /nfs/dbraw/zinc/40/67/17/652406717.db2.gz ARKNGBQSOFXZRM-UHFFFAOYSA-N 1 2 376.262 2.405 20 0 GEADLO NS(=O)(=O)c1cc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)co1 ZINC000660670316 652409485 /nfs/dbraw/zinc/40/94/85/652409485.db2.gz FFGYTEYKGVCZOE-ZDUSSCGKSA-N 1 2 378.372 2.159 20 0 GEADLO C[C@H](OC[C@@H](O)C[NH+]1CCN(c2ncns2)CC1)c1ccc(Cl)cc1 ZINC000660709814 652411411 /nfs/dbraw/zinc/41/14/11/652411411.db2.gz AAGCENQTNQYZSX-BBRMVZONSA-N 1 2 382.917 2.452 20 0 GEADLO NC(=O)[C@@]1([NH2+]Cc2cccc(OCC(F)(F)F)c2Br)CCOC1 ZINC000660926787 652414805 /nfs/dbraw/zinc/41/48/05/652414805.db2.gz SDGIGRCWDFSFCC-CYBMUJFWSA-N 1 2 397.191 2.124 20 0 GEADLO CO[C@@]1(C)C[C@H]1NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000661017943 652417091 /nfs/dbraw/zinc/41/70/91/652417091.db2.gz RHGQCXQAFSJTMK-CJNGLKHVSA-N 1 2 381.274 2.424 20 0 GEADLO Cc1cccc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1Br ZINC000661054875 652417833 /nfs/dbraw/zinc/41/78/33/652417833.db2.gz DMZQBXQBDZIVCB-HNNXBMFYSA-N 1 2 382.302 2.374 20 0 GEADLO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000661085163 652418991 /nfs/dbraw/zinc/41/89/91/652418991.db2.gz HXBLIEZOQZUZSY-QWRGUYRKSA-N 1 2 378.420 2.339 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c(Br)c1 ZINC000661139572 652420202 /nfs/dbraw/zinc/42/02/02/652420202.db2.gz BLAWTOIOTZCFDS-ZDUSSCGKSA-N 1 2 378.274 2.310 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Cn3ccnn3)C2)c(Br)c1 ZINC000661139572 652420206 /nfs/dbraw/zinc/42/02/06/652420206.db2.gz BLAWTOIOTZCFDS-ZDUSSCGKSA-N 1 2 378.274 2.310 20 0 GEADLO NC(=O)C1([NH2+]Cc2ncc(-c3ccc(Br)cc3)o2)CCOCC1 ZINC000661594141 652434172 /nfs/dbraw/zinc/43/41/72/652434172.db2.gz NAQHQAWTUVRLIK-UHFFFAOYSA-N 1 2 380.242 2.228 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000662011154 652444991 /nfs/dbraw/zinc/44/49/91/652444991.db2.gz AMBLGSUXSQOPOW-GFCCVEGCSA-N 1 2 384.274 2.366 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000662011154 652444995 /nfs/dbraw/zinc/44/49/95/652444995.db2.gz AMBLGSUXSQOPOW-GFCCVEGCSA-N 1 2 384.274 2.366 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628175014 652453985 /nfs/dbraw/zinc/45/39/85/652453985.db2.gz GOKUMYOVJAQDFL-GFCCVEGCSA-N 1 2 384.395 2.280 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628175014 652453987 /nfs/dbraw/zinc/45/39/87/652453987.db2.gz GOKUMYOVJAQDFL-GFCCVEGCSA-N 1 2 384.395 2.280 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000628578435 652463707 /nfs/dbraw/zinc/46/37/07/652463707.db2.gz JVPCHCLQKMDZGN-GOSISDBHSA-N 1 2 387.307 2.268 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000628578435 652463709 /nfs/dbraw/zinc/46/37/09/652463709.db2.gz JVPCHCLQKMDZGN-GOSISDBHSA-N 1 2 387.307 2.268 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628679276 652467311 /nfs/dbraw/zinc/46/73/11/652467311.db2.gz SBPAYHHYKSWWEK-KPZWWZAWSA-N 1 2 392.297 2.387 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628679276 652467313 /nfs/dbraw/zinc/46/73/13/652467313.db2.gz SBPAYHHYKSWWEK-KPZWWZAWSA-N 1 2 392.297 2.387 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628679279 652467572 /nfs/dbraw/zinc/46/75/72/652467572.db2.gz SBPAYHHYKSWWEK-SGTLLEGYSA-N 1 2 392.297 2.387 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628679279 652467576 /nfs/dbraw/zinc/46/75/76/652467576.db2.gz SBPAYHHYKSWWEK-SGTLLEGYSA-N 1 2 392.297 2.387 20 0 GEADLO Cc1cc(C)c(NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c(C)[nH+]1 ZINC000583127188 652473407 /nfs/dbraw/zinc/47/34/07/652473407.db2.gz OZKXILWPJRPHQX-CYBMUJFWSA-N 1 2 383.495 2.025 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000662944165 652479331 /nfs/dbraw/zinc/47/93/31/652479331.db2.gz BGYAXFMZQKZYKE-UHFFFAOYSA-N 1 2 379.869 2.270 20 0 GEADLO COCC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000755879503 652479580 /nfs/dbraw/zinc/47/95/80/652479580.db2.gz HJONOMATCDCQPS-ZDUSSCGKSA-N 1 2 380.432 2.437 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000583382736 652482812 /nfs/dbraw/zinc/48/28/12/652482812.db2.gz KWKRYXLEHFDUDB-SUMWQHHRSA-N 1 2 380.330 2.231 20 0 GEADLO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCCn2cc[nH+]c2)cc1 ZINC000756086489 652487317 /nfs/dbraw/zinc/48/73/17/652487317.db2.gz JRJOOWYLHBWNQI-CQSZACIVSA-N 1 2 376.258 2.295 20 0 GEADLO Cc1nc(N(C)C[C@@H](O)COCCOC(C)C)c(Br)c(C)[nH+]1 ZINC000663432858 652499743 /nfs/dbraw/zinc/49/97/43/652499743.db2.gz JBGQGMWVYJISQN-CYBMUJFWSA-N 1 2 376.295 2.095 20 0 GEADLO O=S(=O)(CCc1cccc(Cl)c1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000583887718 652501391 /nfs/dbraw/zinc/50/13/91/652501391.db2.gz BNHNTLWYYQZDNS-MSOLQXFVSA-N 1 2 386.945 2.445 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000583890791 652501888 /nfs/dbraw/zinc/50/18/88/652501888.db2.gz XYQPFJZYVRGJHE-UHFFFAOYSA-N 1 2 377.286 2.070 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000663637809 652507400 /nfs/dbraw/zinc/50/74/00/652507400.db2.gz DYAGZFCQVMRGRG-GFCCVEGCSA-N 1 2 388.295 2.487 20 0 GEADLO Cc1cc(N2CC[C@H](Nc3nc(C)[nH+]c(C)c3Br)C2=O)n(C)n1 ZINC000663671505 652508001 /nfs/dbraw/zinc/50/80/01/652508001.db2.gz OTPHUBLYEOUBAL-NSHDSACASA-N 1 2 379.262 2.115 20 0 GEADLO Cn1c[nH+]cc1CCN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O ZINC000663920314 652516502 /nfs/dbraw/zinc/51/65/02/652516502.db2.gz FDHKIBYHUFEWPU-MRXNPFEDSA-N 1 2 377.242 2.192 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)C[C@@H](C)O1 ZINC000584385979 652519321 /nfs/dbraw/zinc/51/93/21/652519321.db2.gz ZVHISPCJAKWPQU-JXFSHQFZSA-N 1 2 377.312 2.087 20 0 GEADLO COc1c(C)[nH+]c(C2CC2)nc1N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000664193964 652522986 /nfs/dbraw/zinc/52/29/86/652522986.db2.gz WGZVFOSAKZNAOV-QWRGUYRKSA-N 1 2 379.404 2.083 20 0 GEADLO O=C(Nc1cc(Br)ccn1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000631519341 652526749 /nfs/dbraw/zinc/52/67/49/652526749.db2.gz VSACVPIZCJDQSZ-UHFFFAOYSA-N 1 2 391.273 2.026 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)[C@@H](C)CO1 ZINC000664444954 652527387 /nfs/dbraw/zinc/52/73/87/652527387.db2.gz LBRLBZWGMSBBFM-NWDGAFQWSA-N 1 2 391.299 2.176 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)[C@@H](C)CO1 ZINC000664444954 652527388 /nfs/dbraw/zinc/52/73/88/652527388.db2.gz LBRLBZWGMSBBFM-NWDGAFQWSA-N 1 2 391.299 2.176 20 0 GEADLO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ncsc1Br)c1ccco1 ZINC000631654548 652529952 /nfs/dbraw/zinc/52/99/52/652529952.db2.gz NBCYTQXUJHFRHT-JTQLQIEISA-N 1 2 394.316 2.221 20 0 GEADLO C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(Br)cn1 ZINC000664791330 652539062 /nfs/dbraw/zinc/53/90/62/652539062.db2.gz GGYVPTNDKJHAJT-XQQFMLRXSA-N 1 2 385.306 2.314 20 0 GEADLO C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(Br)cn1 ZINC000664791330 652539064 /nfs/dbraw/zinc/53/90/64/652539064.db2.gz GGYVPTNDKJHAJT-XQQFMLRXSA-N 1 2 385.306 2.314 20 0 GEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc(I)c(F)c1 ZINC000587051349 652544282 /nfs/dbraw/zinc/54/42/82/652544282.db2.gz MFMOTWSEAHZZMX-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO CCS(=O)(=O)CCN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000758568484 652547147 /nfs/dbraw/zinc/54/71/47/652547147.db2.gz HZLGCSPFTIWQIJ-CYBMUJFWSA-N 1 2 388.559 2.273 20 0 GEADLO CCS(=O)(=O)CCN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000758568484 652547149 /nfs/dbraw/zinc/54/71/49/652547149.db2.gz HZLGCSPFTIWQIJ-CYBMUJFWSA-N 1 2 388.559 2.273 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](CCO)C3CC3)[nH+]c12 ZINC000758691990 652552455 /nfs/dbraw/zinc/55/24/55/652552455.db2.gz DVHORCSASUNYFS-OAHLLOKOSA-N 1 2 395.301 2.408 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)c1nc[nH+]c2c1OCCN2 ZINC000665688761 652557895 /nfs/dbraw/zinc/55/78/95/652557895.db2.gz FFIRTAJUVLUSAY-UHFFFAOYSA-N 1 2 378.230 2.118 20 0 GEADLO CN(CCN1CCCS1(=O)=O)c1[nH+]ccc2cc(Br)ccc21 ZINC000665704395 652557911 /nfs/dbraw/zinc/55/79/11/652557911.db2.gz BMISNPIJSATEAG-UHFFFAOYSA-N 1 2 384.299 2.469 20 0 GEADLO CCN1C(=O)[C@@H]2CN(c3[nH+]ccc4cc(Br)ccc43)CCN2C1=O ZINC000665705253 652557926 /nfs/dbraw/zinc/55/79/26/652557926.db2.gz BZYZVWVRDKLRTR-AWEZNQCLSA-N 1 2 389.253 2.470 20 0 GEADLO C[NH+](C)CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O ZINC000589686091 652570454 /nfs/dbraw/zinc/57/04/54/652570454.db2.gz OZTUUDFHCYYTRL-UHFFFAOYSA-N 1 2 383.857 2.347 20 0 GEADLO O=S(=O)(NCc1cc[nH+]c(N2CCSCC2)c1)c1cncc(Cl)c1 ZINC000632680830 652574765 /nfs/dbraw/zinc/57/47/65/652574765.db2.gz VZPJOJSQVGUFRI-UHFFFAOYSA-N 1 2 384.914 2.162 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000632792157 652580044 /nfs/dbraw/zinc/58/00/44/652580044.db2.gz FFWBTFXWVHCUBY-GFCCVEGCSA-N 1 2 379.448 2.360 20 0 GEADLO COCCC[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000759850394 652588980 /nfs/dbraw/zinc/58/89/80/652588980.db2.gz HFIISILBIPJXNF-CJNGLKHVSA-N 1 2 379.881 2.038 20 0 GEADLO COCCC[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000759850394 652588987 /nfs/dbraw/zinc/58/89/87/652588987.db2.gz HFIISILBIPJXNF-CJNGLKHVSA-N 1 2 379.881 2.038 20 0 GEADLO CCc1nnc(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000633251124 652589576 /nfs/dbraw/zinc/58/95/76/652589576.db2.gz AKUKWUYVDBIZBL-UHFFFAOYSA-N 1 2 378.527 2.048 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000592193518 652590054 /nfs/dbraw/zinc/59/00/54/652590054.db2.gz AWAAJVAMQZGBFP-TZMCWYRMSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000592193518 652590057 /nfs/dbraw/zinc/59/00/57/652590057.db2.gz AWAAJVAMQZGBFP-TZMCWYRMSA-N 1 2 395.253 2.460 20 0 GEADLO CN(CCc1nccs1)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633488309 652600422 /nfs/dbraw/zinc/60/04/22/652600422.db2.gz QZGFAADXAZVKQK-UHFFFAOYSA-N 1 2 377.539 2.475 20 0 GEADLO O=C(CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)c(F)c1 ZINC000633708800 652607740 /nfs/dbraw/zinc/60/77/40/652607740.db2.gz BEAUDWUJKWMFJA-NSHDSACASA-N 1 2 380.217 2.346 20 0 GEADLO CCCS(=O)(=O)CC(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633776535 652613382 /nfs/dbraw/zinc/61/33/82/652613382.db2.gz VXYLRVDECUICOL-CQSZACIVSA-N 1 2 380.432 2.249 20 0 GEADLO C[C@@H]([NH2+]Cc1cc(Br)c(O)c(Br)c1)C(=O)NCCF ZINC000668105629 652629096 /nfs/dbraw/zinc/62/90/96/652629096.db2.gz BZZVCLYEXFQAKZ-SSDOTTSWSA-N 1 2 398.070 2.481 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000668557409 652647739 /nfs/dbraw/zinc/64/77/39/652647739.db2.gz HYGFFYCXTQEZAO-UHFFFAOYSA-N 1 2 399.285 2.015 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000634660856 652651843 /nfs/dbraw/zinc/65/18/43/652651843.db2.gz DJMRHPSOHDQKQJ-JTQLQIEISA-N 1 2 388.262 2.386 20 0 GEADLO CCCOc1c(Br)cc(C[N@@H+]2CCC(CO)(CO)C2)cc1OC ZINC000668666319 652657631 /nfs/dbraw/zinc/65/76/31/652657631.db2.gz MMIJUUDZIIWLGM-UHFFFAOYSA-N 1 2 388.302 2.423 20 0 GEADLO CCCOc1c(Br)cc(C[N@H+]2CCC(CO)(CO)C2)cc1OC ZINC000668666319 652657633 /nfs/dbraw/zinc/65/76/33/652657633.db2.gz MMIJUUDZIIWLGM-UHFFFAOYSA-N 1 2 388.302 2.423 20 0 GEADLO CNc1nc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cs1 ZINC000762263873 652683433 /nfs/dbraw/zinc/68/34/33/652683433.db2.gz ZHDSCWPIDUZYJW-UHFFFAOYSA-N 1 2 379.917 2.390 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)NCC[S@@](C)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762579344 652704991 /nfs/dbraw/zinc/70/49/91/652704991.db2.gz ZECVRNOEZBKRST-MHGHZUBYSA-N 1 2 375.897 2.150 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)NCC[S@@](C)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762579344 652704999 /nfs/dbraw/zinc/70/49/99/652704999.db2.gz ZECVRNOEZBKRST-MHGHZUBYSA-N 1 2 375.897 2.150 20 0 GEADLO Cn1cc(-c2nnc(N3CC[NH+](Cc4ccc(Cl)s4)CC3)n2C)cn1 ZINC000669781164 652718636 /nfs/dbraw/zinc/71/86/36/652718636.db2.gz PTHRZLBMNOMAGQ-UHFFFAOYSA-N 1 2 377.905 2.253 20 0 GEADLO CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459164 652730645 /nfs/dbraw/zinc/73/06/45/652730645.db2.gz LUBPIRMMXCMRDR-RYUDHWBXSA-N 1 2 378.420 2.145 20 0 GEADLO CCN(CC)C(=O)[C@H]1CSCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459656 652730784 /nfs/dbraw/zinc/73/07/84/652730784.db2.gz PLYHHFJQMOJLJB-NEPJUHHUSA-N 1 2 378.420 2.147 20 0 GEADLO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595831169 652737498 /nfs/dbraw/zinc/73/74/98/652737498.db2.gz YFAXXFHOWDEQRM-MFKMUULPSA-N 1 2 376.284 2.487 20 0 GEADLO CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000635602256 652742811 /nfs/dbraw/zinc/74/28/11/652742811.db2.gz GIWUGCTYDVHYPS-AVGNSLFASA-N 1 2 381.420 2.191 20 0 GEADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(CCO)Cc1cc(Br)ccc1F ZINC000635740581 652751847 /nfs/dbraw/zinc/75/18/47/652751847.db2.gz UJHPSERPKBGMJA-CHWSQXEVSA-N 1 2 382.233 2.436 20 0 GEADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(CCO)Cc1cc(Br)ccc1F ZINC000635740581 652751852 /nfs/dbraw/zinc/75/18/52/652751852.db2.gz UJHPSERPKBGMJA-CHWSQXEVSA-N 1 2 382.233 2.436 20 0 GEADLO COc1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc(Br)c1OC ZINC000670804434 652763783 /nfs/dbraw/zinc/76/37/83/652763783.db2.gz WPAYAVSGGBJURI-CYBMUJFWSA-N 1 2 399.285 2.013 20 0 GEADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000635949174 652767249 /nfs/dbraw/zinc/76/72/49/652767249.db2.gz BCLHUFUHYFOCAR-MRVWCRGKSA-N 1 2 377.242 2.351 20 0 GEADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000635949174 652767251 /nfs/dbraw/zinc/76/72/51/652767251.db2.gz BCLHUFUHYFOCAR-MRVWCRGKSA-N 1 2 377.242 2.351 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763673107 652768677 /nfs/dbraw/zinc/76/86/77/652768677.db2.gz DFLDBHILRMVJSU-OAHLLOKOSA-N 1 2 393.281 2.303 20 0 GEADLO Cn1cc(Br)c(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)n1 ZINC000635987470 652771194 /nfs/dbraw/zinc/77/11/94/652771194.db2.gz LPCFSDRINKUSPG-JTQLQIEISA-N 1 2 380.168 2.189 20 0 GEADLO CCc1n[nH]c(C(=O)N2CC[NH+](CCc3ccncc3)CC2)c1Br ZINC000636295745 652794575 /nfs/dbraw/zinc/79/45/75/652794575.db2.gz WTFRLNAIXYXLLD-UHFFFAOYSA-N 1 2 392.301 2.130 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000636306749 652795463 /nfs/dbraw/zinc/79/54/63/652795463.db2.gz PWLBAGCHQSEJPS-UHFFFAOYSA-N 1 2 388.362 2.489 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(I)cc1 ZINC000597994637 652795904 /nfs/dbraw/zinc/79/59/04/652795904.db2.gz CMHVMLMDHNDZCN-NEPJUHHUSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(I)cc1 ZINC000597994637 652795909 /nfs/dbraw/zinc/79/59/09/652795909.db2.gz CMHVMLMDHNDZCN-NEPJUHHUSA-N 1 2 388.249 2.130 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1Br ZINC000598188738 652804204 /nfs/dbraw/zinc/80/42/04/652804204.db2.gz ZGQVWLNXSRVMJM-NHYWBVRUSA-N 1 2 392.253 2.239 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)NCCCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000636777305 652822542 /nfs/dbraw/zinc/82/25/42/652822542.db2.gz NWLQUWYLVGTJAK-CQSZACIVSA-N 1 2 396.340 2.330 20 0 GEADLO C[C@H](CS(C)(=O)=O)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636783532 652823056 /nfs/dbraw/zinc/82/30/56/652823056.db2.gz DBMBEOPISYKJMX-QMTHXVAHSA-N 1 2 396.340 2.328 20 0 GEADLO C[C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)Oc1ccc(Br)cc1 ZINC000636861582 652826839 /nfs/dbraw/zinc/82/68/39/652826839.db2.gz GHOBRWBXHCNRAU-WCQYABFASA-N 1 2 379.258 2.337 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3Cc4c[nH+]cn4C3)nc12 ZINC000637045113 652834836 /nfs/dbraw/zinc/83/48/36/652834836.db2.gz CYYIRXNBXFEIHZ-LBPRGKRZSA-N 1 2 389.257 2.026 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637095921 652838304 /nfs/dbraw/zinc/83/83/04/652838304.db2.gz FIJRYYWXQKWSPS-KGLIPLIRSA-N 1 2 390.285 2.148 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccc(I)cc1F ZINC000598947175 652841771 /nfs/dbraw/zinc/84/17/71/652841771.db2.gz JZVQJEAZYMGWIA-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO Cc1cc(NCCNC(=O)NCCSCC(F)(F)F)nc(C(C)C)[nH+]1 ZINC000599020102 652845003 /nfs/dbraw/zinc/84/50/03/652845003.db2.gz XCJYMEKMWCHOMO-UHFFFAOYSA-N 1 2 379.452 2.915 20 0 GEADLO CNS(=O)(=O)c1csc(C(=O)OC[C@@H]2CCC[N@@H+]2Cc2ccco2)c1 ZINC000765971994 652860578 /nfs/dbraw/zinc/86/05/78/652860578.db2.gz PMNFDIUBFJOJOP-LBPRGKRZSA-N 1 2 384.479 2.071 20 0 GEADLO CNS(=O)(=O)c1csc(C(=O)OC[C@@H]2CCC[N@H+]2Cc2ccco2)c1 ZINC000765971994 652860580 /nfs/dbraw/zinc/86/05/80/652860580.db2.gz PMNFDIUBFJOJOP-LBPRGKRZSA-N 1 2 384.479 2.071 20 0 GEADLO COC(=O)c1cnc(C[NH+]2CCN(c3ccc(Br)cc3)CC2)cn1 ZINC000599469549 652874949 /nfs/dbraw/zinc/87/49/49/652874949.db2.gz HHPYHFMQQLOSFP-UHFFFAOYSA-N 1 2 391.269 2.348 20 0 GEADLO CC(C)OC1CC[NH+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000637963566 652879264 /nfs/dbraw/zinc/87/92/64/652879264.db2.gz OBYMCJPLIYTHSC-UHFFFAOYSA-N 1 2 391.331 2.486 20 0 GEADLO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000637987640 652880085 /nfs/dbraw/zinc/88/00/85/652880085.db2.gz KPGRRRUJHMLDEI-CQSZACIVSA-N 1 2 387.933 2.116 20 0 GEADLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000637987640 652880089 /nfs/dbraw/zinc/88/00/89/652880089.db2.gz KPGRRRUJHMLDEI-CQSZACIVSA-N 1 2 387.933 2.116 20 0 GEADLO CC[N@H+](Cc1ccc(S(N)(=O)=O)s1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000638023851 652881831 /nfs/dbraw/zinc/88/18/31/652881831.db2.gz BTOMDCJNLQZSHC-UHFFFAOYSA-N 1 2 381.523 2.119 20 0 GEADLO CC[N@@H+](Cc1ccc(S(N)(=O)=O)s1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000638023851 652881838 /nfs/dbraw/zinc/88/18/38/652881838.db2.gz BTOMDCJNLQZSHC-UHFFFAOYSA-N 1 2 381.523 2.119 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@@H]2CCC[C@@H]21 ZINC000599654463 652882105 /nfs/dbraw/zinc/88/21/05/652882105.db2.gz MHRUSTNWNVHKJU-BZUAXINKSA-N 1 2 386.901 2.151 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@@H]2CCC[C@@H]21 ZINC000599654463 652882110 /nfs/dbraw/zinc/88/21/10/652882110.db2.gz MHRUSTNWNVHKJU-BZUAXINKSA-N 1 2 386.901 2.151 20 0 GEADLO C[C@@H](CNC(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000674425258 652897498 /nfs/dbraw/zinc/89/74/98/652897498.db2.gz XTKGUVGPJCFBKD-GARJFASQSA-N 1 2 377.329 2.089 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000766849547 652900227 /nfs/dbraw/zinc/90/02/27/652900227.db2.gz IOXJIUIZRYRHRV-UONOGXRCSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000766849547 652900229 /nfs/dbraw/zinc/90/02/29/652900229.db2.gz IOXJIUIZRYRHRV-UONOGXRCSA-N 1 2 382.917 2.357 20 0 GEADLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cs1 ZINC000638718617 652904149 /nfs/dbraw/zinc/90/41/49/652904149.db2.gz AQFCPRRXDDPAQC-VIFPVBQESA-N 1 2 375.903 2.441 20 0 GEADLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000675219949 652919285 /nfs/dbraw/zinc/91/92/85/652919285.db2.gz UGTVLYLARUZJEW-LSDHHAIUSA-N 1 2 397.313 2.458 20 0 GEADLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1 ZINC000675219946 652919490 /nfs/dbraw/zinc/91/94/90/652919490.db2.gz UGTVLYLARUZJEW-CABCVRRESA-N 1 2 397.313 2.458 20 0 GEADLO O=C(COc1ccc(F)cc1Br)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767431860 652924874 /nfs/dbraw/zinc/92/48/74/652924874.db2.gz IOBQMTFQUWHVSD-BETUJISGSA-N 1 2 388.233 2.373 20 0 GEADLO O=C(COc1ccc(F)cc1Br)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767431860 652924882 /nfs/dbraw/zinc/92/48/82/652924882.db2.gz IOBQMTFQUWHVSD-BETUJISGSA-N 1 2 388.233 2.373 20 0 GEADLO CC(C)O[C@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639291451 652930481 /nfs/dbraw/zinc/93/04/81/652930481.db2.gz ZHMGYBGCWNAFRO-ZDUSSCGKSA-N 1 2 391.331 2.486 20 0 GEADLO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639291451 652930487 /nfs/dbraw/zinc/93/04/87/652930487.db2.gz ZHMGYBGCWNAFRO-ZDUSSCGKSA-N 1 2 391.331 2.486 20 0 GEADLO O=Cc1ccc(OCC(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(Br)c1 ZINC000767560373 652933201 /nfs/dbraw/zinc/93/32/01/652933201.db2.gz UBAGVUQDZOBHKC-OKILXGFUSA-N 1 2 398.253 2.047 20 0 GEADLO O=Cc1ccc(OCC(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(Br)c1 ZINC000767560373 652933206 /nfs/dbraw/zinc/93/32/06/652933206.db2.gz UBAGVUQDZOBHKC-OKILXGFUSA-N 1 2 398.253 2.047 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@H+](C[C@@H]1CCN(c3ccccc3)C1)C2 ZINC000639333034 652933325 /nfs/dbraw/zinc/93/33/25/652933325.db2.gz PHFBMALNMZGALA-AWEZNQCLSA-N 1 2 377.535 2.280 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@@H+](C[C@@H]1CCN(c3ccccc3)C1)C2 ZINC000639333034 652933329 /nfs/dbraw/zinc/93/33/29/652933329.db2.gz PHFBMALNMZGALA-AWEZNQCLSA-N 1 2 377.535 2.280 20 0 GEADLO COc1nsc(CN2CC[NH+](CCc3cnccn3)CC2)c1Br ZINC000639392706 652935840 /nfs/dbraw/zinc/93/58/40/652935840.db2.gz XDQZSUKLBVDJIN-UHFFFAOYSA-N 1 2 398.330 2.065 20 0 GEADLO CS(=O)(=O)C1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639517120 652939946 /nfs/dbraw/zinc/93/99/46/652939946.db2.gz DOPVMGZWUHFJNW-CYBMUJFWSA-N 1 2 382.309 2.242 20 0 GEADLO COc1coc(C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)cc1=O ZINC000639771868 652953474 /nfs/dbraw/zinc/95/34/74/652953474.db2.gz FQBYQPVCGSYKLB-GFCCVEGCSA-N 1 2 381.226 2.459 20 0 GEADLO COc1coc(C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)cc1=O ZINC000639771868 652953480 /nfs/dbraw/zinc/95/34/80/652953480.db2.gz FQBYQPVCGSYKLB-GFCCVEGCSA-N 1 2 381.226 2.459 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H](c1nccn1C)C(C)(C)CO ZINC000639774609 652954611 /nfs/dbraw/zinc/95/46/11/652954611.db2.gz WCAWGKTUQYZULS-HNNXBMFYSA-N 1 2 384.933 2.443 20 0 GEADLO Cc1[nH]nc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)c1Br ZINC000616005863 652966697 /nfs/dbraw/zinc/96/66/97/652966697.db2.gz DPTQMJVPZPPXOR-UHFFFAOYSA-N 1 2 381.278 2.065 20 0 GEADLO C[N@@H+](CC(=O)Nc1cnccn1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639916821 653088547 /nfs/dbraw/zinc/08/85/47/653088547.db2.gz BBLKHWCETYNVOM-CYBMUJFWSA-N 1 2 385.251 2.094 20 0 GEADLO C[N@H+](CC(=O)Nc1cnccn1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639916821 653088549 /nfs/dbraw/zinc/08/85/49/653088549.db2.gz BBLKHWCETYNVOM-CYBMUJFWSA-N 1 2 385.251 2.094 20 0 GEADLO COc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ncc1Br ZINC000639967115 653091372 /nfs/dbraw/zinc/09/13/72/653091372.db2.gz LQJUABSEMYPBOO-GFCCVEGCSA-N 1 2 399.289 2.181 20 0 GEADLO CCN(C(=O)[C@H](C)[NH+]1CCC2(CCSCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000639978530 653092300 /nfs/dbraw/zinc/09/23/00/653092300.db2.gz HNEBLQJZDUZZCX-HOTGVXAUSA-N 1 2 388.599 2.020 20 0 GEADLO CC[C@]1(O)CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000640033895 653094020 /nfs/dbraw/zinc/09/40/20/653094020.db2.gz XGPVUJQIWUVARS-HNNXBMFYSA-N 1 2 376.316 2.460 20 0 GEADLO CC[C@]1(O)CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000640033895 653094024 /nfs/dbraw/zinc/09/40/24/653094024.db2.gz XGPVUJQIWUVARS-HNNXBMFYSA-N 1 2 376.316 2.460 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000768563322 653117548 /nfs/dbraw/zinc/11/75/48/653117548.db2.gz SQEFZIWQMZFUFL-ZJUUUORDSA-N 1 2 395.294 2.310 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000768563322 653117551 /nfs/dbraw/zinc/11/75/51/653117551.db2.gz SQEFZIWQMZFUFL-ZJUUUORDSA-N 1 2 395.294 2.310 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cc(OC)c(OC)cc2Br)C1 ZINC000805472808 653118445 /nfs/dbraw/zinc/11/84/45/653118445.db2.gz ONVUCDURPBYUMJ-HNNXBMFYSA-N 1 2 388.258 2.230 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OCc2cc(OC)c(OC)cc2Br)C1 ZINC000805472808 653118450 /nfs/dbraw/zinc/11/84/50/653118450.db2.gz ONVUCDURPBYUMJ-HNNXBMFYSA-N 1 2 388.258 2.230 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000805475603 653118468 /nfs/dbraw/zinc/11/84/68/653118468.db2.gz VIZOVOBDBRBVHZ-SWLSCSKDSA-N 1 2 399.285 2.348 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000805475603 653118473 /nfs/dbraw/zinc/11/84/73/653118473.db2.gz VIZOVOBDBRBVHZ-SWLSCSKDSA-N 1 2 399.285 2.348 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000805474368 653118490 /nfs/dbraw/zinc/11/84/90/653118490.db2.gz AUMKFOTXISZCFI-HNNXBMFYSA-N 1 2 385.251 2.338 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000805474368 653118498 /nfs/dbraw/zinc/11/84/98/653118498.db2.gz AUMKFOTXISZCFI-HNNXBMFYSA-N 1 2 385.251 2.338 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000805476062 653119047 /nfs/dbraw/zinc/11/90/47/653119047.db2.gz HSFYLQLLXIMVTL-SMDDNHRTSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000805476062 653119051 /nfs/dbraw/zinc/11/90/51/653119051.db2.gz HSFYLQLLXIMVTL-SMDDNHRTSA-N 1 2 385.258 2.040 20 0 GEADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000771937107 653133264 /nfs/dbraw/zinc/13/32/64/653133264.db2.gz LRXAMDWQMIRKID-OAHLLOKOSA-N 1 2 392.253 2.494 20 0 GEADLO Cc1ncc([C@@H](C)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)s1 ZINC000679149336 653138896 /nfs/dbraw/zinc/13/88/96/653138896.db2.gz PEWAPKRNQUMQOR-GFCCVEGCSA-N 1 2 381.527 2.101 20 0 GEADLO C[N@H+](CCO)Cc1cn(Cc2ncc(-c3ccccc3Br)o2)nn1 ZINC000641064722 653154062 /nfs/dbraw/zinc/15/40/62/653154062.db2.gz SUAJAVZLBOUVEL-UHFFFAOYSA-N 1 2 392.257 2.168 20 0 GEADLO C[N@@H+](CCO)Cc1cn(Cc2ncc(-c3ccccc3Br)o2)nn1 ZINC000641064722 653154067 /nfs/dbraw/zinc/15/40/67/653154067.db2.gz SUAJAVZLBOUVEL-UHFFFAOYSA-N 1 2 392.257 2.168 20 0 GEADLO Brc1cc2c(cc1Cn1cc(Cn3cc[nH+]c3)nn1)OCCCO2 ZINC000641120367 653159172 /nfs/dbraw/zinc/15/91/72/653159172.db2.gz DHLGCRHJMPRPML-UHFFFAOYSA-N 1 2 390.241 2.495 20 0 GEADLO Fc1ccc(Br)c(F)c1Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641176417 653166629 /nfs/dbraw/zinc/16/66/29/653166629.db2.gz WDTOJAIZRBVCDJ-UHFFFAOYSA-N 1 2 387.228 2.242 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000680864122 653171874 /nfs/dbraw/zinc/17/18/74/653171874.db2.gz AOVZITYEFWOIAO-WCQYABFASA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000680864122 653171879 /nfs/dbraw/zinc/17/18/79/653171879.db2.gz AOVZITYEFWOIAO-WCQYABFASA-N 1 2 382.309 2.242 20 0 GEADLO COc1cc(CS(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)sn1 ZINC000641272231 653176057 /nfs/dbraw/zinc/17/60/57/653176057.db2.gz PWXVDCFQFURFIS-LLVKDONJSA-N 1 2 387.552 2.079 20 0 GEADLO COc1cc(CS(=O)(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)sn1 ZINC000641272231 653176062 /nfs/dbraw/zinc/17/60/62/653176062.db2.gz PWXVDCFQFURFIS-LLVKDONJSA-N 1 2 387.552 2.079 20 0 GEADLO C[N@@H+](Cc1ccc(I)s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000602470788 653184475 /nfs/dbraw/zinc/18/44/75/653184475.db2.gz HFTSULJEFABYAY-VIFPVBQESA-N 1 2 385.292 2.219 20 0 GEADLO C[N@H+](Cc1ccc(I)s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000602470788 653184480 /nfs/dbraw/zinc/18/44/80/653184480.db2.gz HFTSULJEFABYAY-VIFPVBQESA-N 1 2 385.292 2.219 20 0 GEADLO COC(=O)[C@@]1(C)CC[N@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000773307240 653191805 /nfs/dbraw/zinc/19/18/05/653191805.db2.gz FWHLAFZHEWSZAK-HNNXBMFYSA-N 1 2 387.205 2.339 20 0 GEADLO COC(=O)[C@@]1(C)CC[N@@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000773307240 653191810 /nfs/dbraw/zinc/19/18/10/653191810.db2.gz FWHLAFZHEWSZAK-HNNXBMFYSA-N 1 2 387.205 2.339 20 0 GEADLO C[C@H](CNS(=O)(=O)CCn1cc[nH+]c1)Oc1ccccc1Br ZINC000641368709 653193955 /nfs/dbraw/zinc/19/39/55/653193955.db2.gz XPFVFEXWVBRCMY-GFCCVEGCSA-N 1 2 388.287 2.033 20 0 GEADLO CO[C@H](C)c1nc(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)cs1 ZINC000641372499 653194355 /nfs/dbraw/zinc/19/43/55/653194355.db2.gz JDNOZZUZOZYOFN-GFCCVEGCSA-N 1 2 381.523 2.317 20 0 GEADLO CO[C@H](C)c1nc(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)cs1 ZINC000641372499 653194357 /nfs/dbraw/zinc/19/43/57/653194357.db2.gz JDNOZZUZOZYOFN-GFCCVEGCSA-N 1 2 381.523 2.317 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000641386828 653196657 /nfs/dbraw/zinc/19/66/57/653196657.db2.gz LEYJHDAABOCFHB-QAPCUYQASA-N 1 2 382.551 2.008 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000641386828 653196665 /nfs/dbraw/zinc/19/66/65/653196665.db2.gz LEYJHDAABOCFHB-QAPCUYQASA-N 1 2 382.551 2.008 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000641450857 653207909 /nfs/dbraw/zinc/20/79/09/653207909.db2.gz LNFRPORPVHHPMT-ZDUSSCGKSA-N 1 2 389.308 2.388 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682457669 653210065 /nfs/dbraw/zinc/21/00/65/653210065.db2.gz JZPGCFNMQJOMGG-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(Cl)ccc1I ZINC000602899266 653213725 /nfs/dbraw/zinc/21/37/25/653213725.db2.gz PBPCKNKMSJBXIN-AAEUAGOBSA-N 1 2 381.641 2.262 20 0 GEADLO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(Cl)ccc1I ZINC000602899266 653213726 /nfs/dbraw/zinc/21/37/26/653213726.db2.gz PBPCKNKMSJBXIN-AAEUAGOBSA-N 1 2 381.641 2.262 20 0 GEADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000682498472 653215643 /nfs/dbraw/zinc/21/56/43/653215643.db2.gz PJBSOUMQNHKGIC-LBPRGKRZSA-N 1 2 378.274 2.268 20 0 GEADLO COCCN(Cc1ccc(F)c(Cl)c1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641527786 653218176 /nfs/dbraw/zinc/21/81/76/653218176.db2.gz UFVVZOPLXLMLJV-UHFFFAOYSA-N 1 2 375.853 2.154 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000641550116 653220686 /nfs/dbraw/zinc/22/06/86/653220686.db2.gz LPFRIBZEBJLXQB-ZDUSSCGKSA-N 1 2 378.885 2.495 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000641636046 653225990 /nfs/dbraw/zinc/22/59/90/653225990.db2.gz OPWUVNYXMYOJPE-CQSZACIVSA-N 1 2 378.281 2.233 20 0 GEADLO CC1(C)[C@@H](CS(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1(F)F ZINC000641641252 653226900 /nfs/dbraw/zinc/22/69/00/653226900.db2.gz KUHZSNBBEFTXQE-CYBMUJFWSA-N 1 2 391.509 2.346 20 0 GEADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N(CCO)Cc1cc(Br)cs1 ZINC000683183120 653229865 /nfs/dbraw/zinc/22/98/65/653229865.db2.gz SXXXCDFCQOKCKV-LLVKDONJSA-N 1 2 384.299 2.291 20 0 GEADLO O=C(C[NH2+]Cc1cc(Br)sc1Br)N1CCOCC1 ZINC000641746123 653232837 /nfs/dbraw/zinc/23/28/37/653232837.db2.gz NOVAFNPOQDXRFU-UHFFFAOYSA-N 1 2 398.120 2.222 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000774300854 653233366 /nfs/dbraw/zinc/23/33/66/653233366.db2.gz FGCQIMHRVSMQEO-GFCCVEGCSA-N 1 2 392.257 2.151 20 0 GEADLO C[C@@H]1CCOCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000774649290 653246539 /nfs/dbraw/zinc/24/65/39/653246539.db2.gz MOXAGIBCKHEILV-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1CCOCC[N@H+]1CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000774649290 653246545 /nfs/dbraw/zinc/24/65/45/653246545.db2.gz MOXAGIBCKHEILV-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1CCOCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000774649283 653246566 /nfs/dbraw/zinc/24/65/66/653246566.db2.gz MOXAGIBCKHEILV-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1CCOCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000774649283 653246568 /nfs/dbraw/zinc/24/65/68/653246568.db2.gz MOXAGIBCKHEILV-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO O=S1(=O)CC[C@@H](C[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000683992341 653249425 /nfs/dbraw/zinc/24/94/25/653249425.db2.gz JCKIDSHPRADETE-HNNXBMFYSA-N 1 2 376.444 2.258 20 0 GEADLO Cc1cc(Br)cc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000774821473 653260566 /nfs/dbraw/zinc/26/05/66/653260566.db2.gz RCAKKNGXFGFTKJ-UHFFFAOYSA-N 1 2 380.330 2.498 20 0 GEADLO C[C@@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)[C@H]1C[N@H+](C)CCO1 ZINC000684464163 653266814 /nfs/dbraw/zinc/26/68/14/653266814.db2.gz RDAMZHMGQBRKDW-VXGBXAGGSA-N 1 2 380.539 2.407 20 0 GEADLO C[C@@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)[C@H]1C[N@@H+](C)CCO1 ZINC000684464163 653266825 /nfs/dbraw/zinc/26/68/25/653266825.db2.gz RDAMZHMGQBRKDW-VXGBXAGGSA-N 1 2 380.539 2.407 20 0 GEADLO Cc1nn(C)c(C[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)c1Br ZINC000857062972 653281512 /nfs/dbraw/zinc/28/15/12/653281512.db2.gz POULGKGDIOWKIX-MRXNPFEDSA-N 1 2 382.306 2.170 20 0 GEADLO CS[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000775076203 653284771 /nfs/dbraw/zinc/28/47/71/653284771.db2.gz BRPIPCPXIMVYEG-XJKCOSOUSA-N 1 2 383.945 2.459 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000684659676 653285662 /nfs/dbraw/zinc/28/56/62/653285662.db2.gz OCYYOJAMBJCECA-KGLIPLIRSA-N 1 2 379.309 2.213 20 0 GEADLO COc1nc(N2CC[NH+](Cc3oc(C)nc3C)CC2)ncc1Br ZINC000685566391 653305444 /nfs/dbraw/zinc/30/54/44/653305444.db2.gz QNLWTZKBQCQKCM-UHFFFAOYSA-N 1 2 382.262 2.175 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000775694098 653322235 /nfs/dbraw/zinc/32/22/35/653322235.db2.gz FRKGXPDCDGCBRP-NSHDSACASA-N 1 2 375.288 2.024 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)ccc1Br ZINC000775694098 653322241 /nfs/dbraw/zinc/32/22/41/653322241.db2.gz FRKGXPDCDGCBRP-NSHDSACASA-N 1 2 375.288 2.024 20 0 GEADLO Nc1c(Cl)ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1Cl ZINC000857466602 653323907 /nfs/dbraw/zinc/32/39/07/653323907.db2.gz AEECAZHLLWOZNV-GFCCVEGCSA-N 1 2 388.295 2.139 20 0 GEADLO Cn1cc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Br)n1 ZINC000712459603 653324044 /nfs/dbraw/zinc/32/40/44/653324044.db2.gz PTXFMQUZASCIKY-MRXNPFEDSA-N 1 2 379.302 2.173 20 0 GEADLO Cn1cc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Br)n1 ZINC000712459603 653324046 /nfs/dbraw/zinc/32/40/46/653324046.db2.gz PTXFMQUZASCIKY-MRXNPFEDSA-N 1 2 379.302 2.173 20 0 GEADLO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Br)nnn1C ZINC000716171174 653326347 /nfs/dbraw/zinc/32/63/47/653326347.db2.gz BSXCBNNEOLMXBW-OCCSQVGLSA-N 1 2 392.301 2.218 20 0 GEADLO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Br)nnn1C ZINC000716171174 653326357 /nfs/dbraw/zinc/32/63/57/653326357.db2.gz BSXCBNNEOLMXBW-OCCSQVGLSA-N 1 2 392.301 2.218 20 0 GEADLO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000716295626 653326365 /nfs/dbraw/zinc/32/63/65/653326365.db2.gz MKKLRCKYBGQBHZ-DZGCQCFKSA-N 1 2 382.917 2.262 20 0 GEADLO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000716295626 653326370 /nfs/dbraw/zinc/32/63/70/653326370.db2.gz MKKLRCKYBGQBHZ-DZGCQCFKSA-N 1 2 382.917 2.262 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000874709488 653333447 /nfs/dbraw/zinc/33/34/47/653333447.db2.gz DOHSIFICHNZHIW-LBPRGKRZSA-N 1 2 387.322 2.241 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000874709488 653333452 /nfs/dbraw/zinc/33/34/52/653333452.db2.gz DOHSIFICHNZHIW-LBPRGKRZSA-N 1 2 387.322 2.241 20 0 GEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857708064 653333602 /nfs/dbraw/zinc/33/36/02/653333602.db2.gz AJSHFHIMPZNWPI-LLVKDONJSA-N 1 2 396.289 2.217 20 0 GEADLO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000874825636 653337914 /nfs/dbraw/zinc/33/79/14/653337914.db2.gz QOHVCUDHODRPEW-KGLIPLIRSA-N 1 2 376.400 2.289 20 0 GEADLO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000874825636 653337919 /nfs/dbraw/zinc/33/79/19/653337919.db2.gz QOHVCUDHODRPEW-KGLIPLIRSA-N 1 2 376.400 2.289 20 0 GEADLO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000874825638 653338105 /nfs/dbraw/zinc/33/81/05/653338105.db2.gz QOHVCUDHODRPEW-UONOGXRCSA-N 1 2 376.400 2.289 20 0 GEADLO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000874825638 653338114 /nfs/dbraw/zinc/33/81/14/653338114.db2.gz QOHVCUDHODRPEW-UONOGXRCSA-N 1 2 376.400 2.289 20 0 GEADLO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000874825633 653338336 /nfs/dbraw/zinc/33/83/36/653338336.db2.gz QOHVCUDHODRPEW-KBPBESRZSA-N 1 2 376.400 2.289 20 0 GEADLO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000874825633 653338341 /nfs/dbraw/zinc/33/83/41/653338341.db2.gz QOHVCUDHODRPEW-KBPBESRZSA-N 1 2 376.400 2.289 20 0 GEADLO C[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1(Br)Br ZINC000857940938 653343595 /nfs/dbraw/zinc/34/35/95/653343595.db2.gz XSYAUHLUVRTFHJ-GZMMTYOYSA-N 1 2 377.080 2.210 20 0 GEADLO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981242 653346155 /nfs/dbraw/zinc/34/61/55/653346155.db2.gz YFCWOMAFCQOBQS-ZDUSSCGKSA-N 1 2 398.282 2.232 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000857984943 653346189 /nfs/dbraw/zinc/34/61/89/653346189.db2.gz FXHYKIUXWMGQKG-HIFRSBDPSA-N 1 2 376.869 2.313 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000857986298 653346249 /nfs/dbraw/zinc/34/62/49/653346249.db2.gz PCKKUXPDHYKQMH-KBPBESRZSA-N 1 2 389.253 2.260 20 0 GEADLO O=C(COc1cccc(I)c1)N[C@H]1CCn2c[nH+]cc21 ZINC000857980124 653346271 /nfs/dbraw/zinc/34/62/71/653346271.db2.gz URJKAVNJTMTPGL-LBPRGKRZSA-N 1 2 383.189 2.128 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000857989458 653346624 /nfs/dbraw/zinc/34/66/24/653346624.db2.gz NRYCGMNJOQHXRW-BXUZGUMPSA-N 1 2 389.253 2.260 20 0 GEADLO Cn1cc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c(Br)n1 ZINC000858113736 653348760 /nfs/dbraw/zinc/34/87/60/653348760.db2.gz XECLNMMKIAVVGV-UHFFFAOYSA-N 1 2 392.706 2.400 20 0 GEADLO CCON(CC)C(=O)C[NH2+]Cc1ccc(F)cc1I ZINC000858223622 653355353 /nfs/dbraw/zinc/35/53/53/653355353.db2.gz VSGHRCDNYSWKQA-UHFFFAOYSA-N 1 2 380.201 2.320 20 0 GEADLO CCS(=O)(=O)CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000875221974 653358826 /nfs/dbraw/zinc/35/88/26/653358826.db2.gz XJLVPZAKHUCYPP-CQSZACIVSA-N 1 2 396.340 2.330 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC000875658755 653382320 /nfs/dbraw/zinc/38/23/20/653382320.db2.gz FGNOLECSQAPXBN-QGZVFWFLSA-N 1 2 395.301 2.018 20 0 GEADLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Br)nc1F)c1ccco1 ZINC000858878932 653382460 /nfs/dbraw/zinc/38/24/60/653382460.db2.gz ITKFGJUHRKRHHX-VIFPVBQESA-N 1 2 392.250 2.157 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)cc1Cl ZINC000858893934 653383325 /nfs/dbraw/zinc/38/33/25/653383325.db2.gz ZDCIPDMJODCPOT-UHFFFAOYSA-N 1 2 375.878 2.233 20 0 GEADLO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1ccc(Br)nc1F ZINC000859015170 653394325 /nfs/dbraw/zinc/39/43/25/653394325.db2.gz SVFRIXZLLCFYDR-UHFFFAOYSA-N 1 2 391.266 2.247 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1Cl ZINC000859090782 653404192 /nfs/dbraw/zinc/40/41/92/653404192.db2.gz QYHKZFSAOOIXQB-WDEREUQCSA-N 1 2 375.878 2.231 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1Cl ZINC000859090782 653404197 /nfs/dbraw/zinc/40/41/97/653404197.db2.gz QYHKZFSAOOIXQB-WDEREUQCSA-N 1 2 375.878 2.231 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000837153952 653404749 /nfs/dbraw/zinc/40/47/49/653404749.db2.gz IGCVRGIRQHOAEM-BLLLJJGKSA-N 1 2 378.270 2.400 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc3ccc(Br)cc3n2)CC1 ZINC000811813638 653406845 /nfs/dbraw/zinc/40/68/45/653406845.db2.gz XFCDHAKHUKNTPL-UHFFFAOYSA-N 1 2 377.286 2.383 20 0 GEADLO O=C(NC[C@@H](O)c1ccccc1Br)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000837197813 653410869 /nfs/dbraw/zinc/41/08/69/653410869.db2.gz FHZCQKFGHVGLLD-IAGOWNOFSA-N 1 2 397.313 2.242 20 0 GEADLO O=C(NC[C@@H](O)c1ccccc1Br)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000837197813 653410874 /nfs/dbraw/zinc/41/08/74/653410874.db2.gz FHZCQKFGHVGLLD-IAGOWNOFSA-N 1 2 397.313 2.242 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000811896236 653411538 /nfs/dbraw/zinc/41/15/38/653411538.db2.gz MWNHMIQQRAPSHT-UHFFFAOYSA-N 1 2 389.930 2.122 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000777970847 653415267 /nfs/dbraw/zinc/41/52/67/653415267.db2.gz WJSSKZXNCKYOHS-LLVKDONJSA-N 1 2 382.313 2.024 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000777970847 653415275 /nfs/dbraw/zinc/41/52/75/653415275.db2.gz WJSSKZXNCKYOHS-LLVKDONJSA-N 1 2 382.313 2.024 20 0 GEADLO CC[N@H+](Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S)[C@@H]1CCOC1 ZINC000812295018 653420227 /nfs/dbraw/zinc/42/02/27/653420227.db2.gz CVEYQLKDJZGBCI-GFCCVEGCSA-N 1 2 385.511 2.282 20 0 GEADLO CC[N@@H+](Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S)[C@@H]1CCOC1 ZINC000812295018 653420234 /nfs/dbraw/zinc/42/02/34/653420234.db2.gz CVEYQLKDJZGBCI-GFCCVEGCSA-N 1 2 385.511 2.282 20 0 GEADLO CC[N@H+](CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O)[C@@H]1CCOC1 ZINC000812295878 653420253 /nfs/dbraw/zinc/42/02/53/653420253.db2.gz KQHFNNRMRJJKJY-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO CC[N@@H+](CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O)[C@@H]1CCOC1 ZINC000812295878 653420256 /nfs/dbraw/zinc/42/02/56/653420256.db2.gz KQHFNNRMRJJKJY-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)nc1F ZINC000859213304 653424423 /nfs/dbraw/zinc/42/44/23/653424423.db2.gz MSWGIBAGHCTLPR-MNOVXSKESA-N 1 2 392.294 2.278 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Br)nc1F ZINC000859213304 653424426 /nfs/dbraw/zinc/42/44/26/653424426.db2.gz MSWGIBAGHCTLPR-MNOVXSKESA-N 1 2 392.294 2.278 20 0 GEADLO COC(=O)c1cc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)n(C)c1C ZINC000812758455 653442065 /nfs/dbraw/zinc/44/20/65/653442065.db2.gz BTJZUJYOIAJYRY-HNNXBMFYSA-N 1 2 394.269 2.199 20 0 GEADLO C[C@H]([C@H](C)[N@H+](C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)S(C)(=O)=O ZINC000876740723 653445485 /nfs/dbraw/zinc/44/54/85/653445485.db2.gz UMHHNCJLKQTDSL-MJBXVCDLSA-N 1 2 378.535 2.112 20 0 GEADLO C[C@H]([C@H](C)[N@@H+](C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)S(C)(=O)=O ZINC000876740723 653445489 /nfs/dbraw/zinc/44/54/89/653445489.db2.gz UMHHNCJLKQTDSL-MJBXVCDLSA-N 1 2 378.535 2.112 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3ccncc3Br)C2)n1 ZINC000859363836 653450749 /nfs/dbraw/zinc/45/07/49/653450749.db2.gz XYQIGQJWKIVHDV-INIZCTEOSA-N 1 2 381.274 2.359 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3ccncc3Br)C2)n1 ZINC000859363836 653450761 /nfs/dbraw/zinc/45/07/61/653450761.db2.gz XYQIGQJWKIVHDV-INIZCTEOSA-N 1 2 381.274 2.359 20 0 GEADLO COCC[N@H+](CCC(=O)OC)Cc1cc(O)c(OC)cc1Br ZINC000779021105 653465413 /nfs/dbraw/zinc/46/54/13/653465413.db2.gz RXAYXKJHOWNSBM-UHFFFAOYSA-N 1 2 376.247 2.175 20 0 GEADLO COCC[N@@H+](CCC(=O)OC)Cc1cc(O)c(OC)cc1Br ZINC000779021105 653465418 /nfs/dbraw/zinc/46/54/18/653465418.db2.gz RXAYXKJHOWNSBM-UHFFFAOYSA-N 1 2 376.247 2.175 20 0 GEADLO CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2c[nH+]cn2C)c1Cl ZINC000813257212 653473838 /nfs/dbraw/zinc/47/38/38/653473838.db2.gz UWYUKYCLODLRHA-UHFFFAOYSA-N 1 2 376.265 2.451 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000779563839 653480481 /nfs/dbraw/zinc/48/04/81/653480481.db2.gz IWINRZBCOLZJMT-YGRLFVJLSA-N 1 2 386.235 2.315 20 0 GEADLO CCn1ncnc1CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000877468128 653523524 /nfs/dbraw/zinc/52/35/24/653523524.db2.gz ZFVGNKHHUMVQJN-UHFFFAOYSA-N 1 2 379.306 2.424 20 0 GEADLO COC[C@@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)c1cccc(Br)c1 ZINC000877758962 653618597 /nfs/dbraw/zinc/61/85/97/653618597.db2.gz PBNNEFPCDYECOP-CYBMUJFWSA-N 1 2 389.271 2.167 20 0 GEADLO COC(=O)c1cc(C[NH2+]Cc2c(I)cnn2C)c(C)o1 ZINC000877774746 653619153 /nfs/dbraw/zinc/61/91/53/653619153.db2.gz NPTWWMSZEUAQOY-UHFFFAOYSA-N 1 2 389.193 2.003 20 0 GEADLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H](O)c2cc(Br)no2)C[C@H](C)O1 ZINC000877998351 653625803 /nfs/dbraw/zinc/62/58/03/653625803.db2.gz QQWWBIFICGGKKP-RFQIPJPRSA-N 1 2 388.306 2.044 20 0 GEADLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@@H](O)c2cc(Br)no2)C[C@H](C)O1 ZINC000877998351 653625804 /nfs/dbraw/zinc/62/58/04/653625804.db2.gz QQWWBIFICGGKKP-RFQIPJPRSA-N 1 2 388.306 2.044 20 0 GEADLO CCOC(=O)N(C)C1CC[NH+](C[C@@H](O)c2cc(Br)no2)CC1 ZINC000878038388 653626989 /nfs/dbraw/zinc/62/69/89/653626989.db2.gz JECOOUGAVYTSFR-LLVKDONJSA-N 1 2 376.251 2.023 20 0 GEADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000878044056 653627236 /nfs/dbraw/zinc/62/72/36/653627236.db2.gz MBXYFRJNEQDVSS-XMQYKBBCSA-N 1 2 383.539 2.423 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)c1ccc(Cl)c2nonc21 ZINC000814380052 653627919 /nfs/dbraw/zinc/62/79/19/653627919.db2.gz RIWFELHBABUWKM-UHFFFAOYSA-N 1 2 398.897 2.274 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2sccc2C1)c1ccc(Cl)c2nonc21 ZINC000814380052 653627921 /nfs/dbraw/zinc/62/79/21/653627921.db2.gz RIWFELHBABUWKM-UHFFFAOYSA-N 1 2 398.897 2.274 20 0 GEADLO C=CC(=O)N(C)CC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000860503355 653628556 /nfs/dbraw/zinc/62/85/56/653628556.db2.gz CIKFLBFTMZCRQE-UHFFFAOYSA-N 1 2 384.307 2.325 20 0 GEADLO C[N@H+](C[C@H](O)c1cc(Br)no1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000878100118 653628843 /nfs/dbraw/zinc/62/88/43/653628843.db2.gz KUUGEEMQYYUKFL-STQMWFEESA-N 1 2 398.232 2.347 20 0 GEADLO C[N@@H+](C[C@H](O)c1cc(Br)no1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000878100118 653628846 /nfs/dbraw/zinc/62/88/46/653628846.db2.gz KUUGEEMQYYUKFL-STQMWFEESA-N 1 2 398.232 2.347 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860531994 653629625 /nfs/dbraw/zinc/62/96/25/653629625.db2.gz CTMFYVRINXWSQH-WDEREUQCSA-N 1 2 379.258 2.074 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860531994 653629628 /nfs/dbraw/zinc/62/96/28/653629628.db2.gz CTMFYVRINXWSQH-WDEREUQCSA-N 1 2 379.258 2.074 20 0 GEADLO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)c2cccc(C(F)F)c2)CC1 ZINC000780849191 653633703 /nfs/dbraw/zinc/63/37/03/653633703.db2.gz JHQIPTQJAPONTR-UHFFFAOYSA-N 1 2 375.485 2.319 20 0 GEADLO C[C@@](O)(C1CC[NH+](C[C@@H](O)c2cc(Br)no2)CC1)C(F)(F)F ZINC000878439782 653637375 /nfs/dbraw/zinc/63/73/75/653637375.db2.gz WQKPFEXCCCMKGH-BXKDBHETSA-N 1 2 387.196 2.496 20 0 GEADLO COC(=O)[C@]12C[N@H+](Cc3nc(C)c(Br)s3)C[C@H]1COCC2 ZINC000878542382 653640569 /nfs/dbraw/zinc/64/05/69/653640569.db2.gz YZIAQAOJZMBLDC-IINYFYTJSA-N 1 2 375.288 2.226 20 0 GEADLO COC(=O)[C@]12C[N@@H+](Cc3nc(C)c(Br)s3)C[C@H]1COCC2 ZINC000878542382 653640572 /nfs/dbraw/zinc/64/05/72/653640572.db2.gz YZIAQAOJZMBLDC-IINYFYTJSA-N 1 2 375.288 2.226 20 0 GEADLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878599974 653641924 /nfs/dbraw/zinc/64/19/24/653641924.db2.gz AEHIIQRRAZCBAZ-MNOVXSKESA-N 1 2 376.251 2.071 20 0 GEADLO CCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878599974 653641925 /nfs/dbraw/zinc/64/19/25/653641925.db2.gz AEHIIQRRAZCBAZ-MNOVXSKESA-N 1 2 376.251 2.071 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2ncccc2Br)C1)C1CC1 ZINC000878621135 653642913 /nfs/dbraw/zinc/64/29/13/653642913.db2.gz FUNAPJZPDMCGAP-GFCCVEGCSA-N 1 2 388.331 2.138 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ncccc2Br)C1)C1CC1 ZINC000878621135 653642917 /nfs/dbraw/zinc/64/29/17/653642917.db2.gz FUNAPJZPDMCGAP-GFCCVEGCSA-N 1 2 388.331 2.138 20 0 GEADLO Cc1cc2cc(S(=O)(=O)NCC[N@@H+]3CCCOCC3)ccc2nc1Cl ZINC000815035305 653646585 /nfs/dbraw/zinc/64/65/85/653646585.db2.gz JNRLHEZHJOANFY-UHFFFAOYSA-N 1 2 383.901 2.197 20 0 GEADLO Cc1cc2cc(S(=O)(=O)NCC[N@H+]3CCCOCC3)ccc2nc1Cl ZINC000815035305 653646587 /nfs/dbraw/zinc/64/65/87/653646587.db2.gz JNRLHEZHJOANFY-UHFFFAOYSA-N 1 2 383.901 2.197 20 0 GEADLO Brc1ccnc2c1C[N@H+](Cc1cn(C[C@@H]3CCOC3)nn1)CC2 ZINC000878767841 653646921 /nfs/dbraw/zinc/64/69/21/653646921.db2.gz PJLVEADAJFQSGJ-LBPRGKRZSA-N 1 2 378.274 2.030 20 0 GEADLO Brc1ccnc2c1C[N@@H+](Cc1cn(C[C@@H]3CCOC3)nn1)CC2 ZINC000878767841 653646924 /nfs/dbraw/zinc/64/69/24/653646924.db2.gz PJLVEADAJFQSGJ-LBPRGKRZSA-N 1 2 378.274 2.030 20 0 GEADLO C[N@H+](CCS(C)(=O)=O)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815037228 653647002 /nfs/dbraw/zinc/64/70/02/653647002.db2.gz WACHKMCOGOEXLW-ZDUSSCGKSA-N 1 2 384.723 2.286 20 0 GEADLO C[N@@H+](CCS(C)(=O)=O)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815037228 653647005 /nfs/dbraw/zinc/64/70/05/653647005.db2.gz WACHKMCOGOEXLW-ZDUSSCGKSA-N 1 2 384.723 2.286 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000839466361 653650409 /nfs/dbraw/zinc/65/04/09/653650409.db2.gz CGKGWSLBBWGBTA-CQSZACIVSA-N 1 2 378.416 2.335 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000839466361 653650411 /nfs/dbraw/zinc/65/04/11/653650411.db2.gz CGKGWSLBBWGBTA-CQSZACIVSA-N 1 2 378.416 2.335 20 0 GEADLO CC(C)[C@H]([NH2+]CC(=O)N=[S@@](C)(=O)N(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000878996429 653654551 /nfs/dbraw/zinc/65/45/51/653654551.db2.gz JGOVXUKPLRYPNH-CCHLGUQTSA-N 1 2 375.922 2.089 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044372 653656469 /nfs/dbraw/zinc/65/64/69/653656469.db2.gz MRNZALLPYJTOEB-OAHLLOKOSA-N 1 2 386.265 2.231 20 0 GEADLO S=c1sc(N2CCOCC2)nn1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000782286492 653658595 /nfs/dbraw/zinc/65/85/95/653658595.db2.gz BCLYVLDFZPNPAT-HNNXBMFYSA-N 1 2 377.539 2.428 20 0 GEADLO S=c1sc(N2CCOCC2)nn1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000782286492 653658596 /nfs/dbraw/zinc/65/85/96/653658596.db2.gz BCLYVLDFZPNPAT-HNNXBMFYSA-N 1 2 377.539 2.428 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH+]1CCC(Cc2nccs2)CC1 ZINC000879209121 653662883 /nfs/dbraw/zinc/66/28/83/653662883.db2.gz YIYOOZSOBWLVHH-UHFFFAOYSA-N 1 2 388.555 2.154 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(Br)ccc1C1CC1 ZINC000879307531 653665396 /nfs/dbraw/zinc/66/53/96/653665396.db2.gz XTAWDIGVRXUUMQ-OAHLLOKOSA-N 1 2 397.313 2.092 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000839822926 653665740 /nfs/dbraw/zinc/66/57/40/653665740.db2.gz BFOJPPOTSHDHKB-UKRRQHHQSA-N 1 2 378.270 2.400 20 0 GEADLO Cc1ccc(NC(=O)c2cnn(C)c2I)c(N(C)C)[nH+]1 ZINC000815860113 653666970 /nfs/dbraw/zinc/66/69/70/653666970.db2.gz XCSAVLQUUZRRKC-UHFFFAOYSA-N 1 2 385.209 2.046 20 0 GEADLO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000840046324 653672436 /nfs/dbraw/zinc/67/24/36/653672436.db2.gz DMSVSWPRNSRGEP-JKSUJKDBSA-N 1 2 390.285 2.261 20 0 GEADLO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000840046324 653672440 /nfs/dbraw/zinc/67/24/40/653672440.db2.gz DMSVSWPRNSRGEP-JKSUJKDBSA-N 1 2 390.285 2.261 20 0 GEADLO CS[C@H]1CC[N@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000840115982 653675011 /nfs/dbraw/zinc/67/50/11/653675011.db2.gz YFMFWYVBUYWMOL-LBPRGKRZSA-N 1 2 398.282 2.139 20 0 GEADLO CS[C@H]1CC[N@@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000840115982 653675012 /nfs/dbraw/zinc/67/50/12/653675012.db2.gz YFMFWYVBUYWMOL-LBPRGKRZSA-N 1 2 398.282 2.139 20 0 GEADLO Cn1nnc(Br)c1COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000816142897 653675552 /nfs/dbraw/zinc/67/55/52/653675552.db2.gz MZHPKNHZNQKBNU-ZDUSSCGKSA-N 1 2 379.258 2.285 20 0 GEADLO Cn1nnc(Br)c1COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000816142897 653675554 /nfs/dbraw/zinc/67/55/54/653675554.db2.gz MZHPKNHZNQKBNU-ZDUSSCGKSA-N 1 2 379.258 2.285 20 0 GEADLO Cc1nn(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c(=S)n1CCc1cccs1 ZINC000840173229 653678224 /nfs/dbraw/zinc/67/82/24/653678224.db2.gz AHHZKTDUCDWVQM-CQSZACIVSA-N 1 2 379.555 2.394 20 0 GEADLO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c(=S)n1CCc1cccs1 ZINC000840173229 653678228 /nfs/dbraw/zinc/67/82/28/653678228.db2.gz AHHZKTDUCDWVQM-CQSZACIVSA-N 1 2 379.555 2.394 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](CN2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000840186589 653678841 /nfs/dbraw/zinc/67/88/41/653678841.db2.gz PRZZBFRZAOFYNM-CYBMUJFWSA-N 1 2 383.901 2.378 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](CN2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000840186589 653678844 /nfs/dbraw/zinc/67/88/44/653678844.db2.gz PRZZBFRZAOFYNM-CYBMUJFWSA-N 1 2 383.901 2.378 20 0 GEADLO Clc1nc(Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cs1 ZINC000840197462 653679591 /nfs/dbraw/zinc/67/95/91/653679591.db2.gz ZJBGTZFSRIBLQH-AWEZNQCLSA-N 1 2 376.873 2.405 20 0 GEADLO Clc1nc(Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cs1 ZINC000840197462 653679594 /nfs/dbraw/zinc/67/95/94/653679594.db2.gz ZJBGTZFSRIBLQH-AWEZNQCLSA-N 1 2 376.873 2.405 20 0 GEADLO O=C(CCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21)c1ccc(Br)cc1 ZINC000879724533 653680291 /nfs/dbraw/zinc/68/02/91/653680291.db2.gz GRUYRUCNFKYNGW-IRXDYDNUSA-N 1 2 395.297 2.391 20 0 GEADLO O=C(CCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21)c1ccc(Br)cc1 ZINC000879724533 653680294 /nfs/dbraw/zinc/68/02/94/653680294.db2.gz GRUYRUCNFKYNGW-IRXDYDNUSA-N 1 2 395.297 2.391 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862244909 653681566 /nfs/dbraw/zinc/68/15/66/653681566.db2.gz GWPOMJLRMOYNCZ-OLZOCXBDSA-N 1 2 384.489 2.386 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862244909 653681567 /nfs/dbraw/zinc/68/15/67/653681567.db2.gz GWPOMJLRMOYNCZ-OLZOCXBDSA-N 1 2 384.489 2.386 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1ccc(Br)cc1F ZINC000840293814 653681803 /nfs/dbraw/zinc/68/18/03/653681803.db2.gz JXZKXZRVGXHWDM-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO Cc1cc(CN(C)C[C@@H](O)C[NH+]2CCOCC2)c(Br)cc1F ZINC000862248246 653681831 /nfs/dbraw/zinc/68/18/31/653681831.db2.gz UNSNCBXPXILYBB-CQSZACIVSA-N 1 2 375.282 2.022 20 0 GEADLO Cc1cc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c(Br)cc1F ZINC000862248246 653681834 /nfs/dbraw/zinc/68/18/34/653681834.db2.gz UNSNCBXPXILYBB-CQSZACIVSA-N 1 2 375.282 2.022 20 0 GEADLO Cc1cc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c(Br)cc1F ZINC000862248246 653681835 /nfs/dbraw/zinc/68/18/35/653681835.db2.gz UNSNCBXPXILYBB-CQSZACIVSA-N 1 2 375.282 2.022 20 0 GEADLO COCO[C@@H](C)c1cc(F)c(C[NH2+]C2(C(N)=O)CC2)cc1Br ZINC000862324236 653683160 /nfs/dbraw/zinc/68/31/60/653683160.db2.gz GWKRTPSOROBQHO-VIFPVBQESA-N 1 2 375.238 2.377 20 0 GEADLO Cn1cc(C[N@@H+]2CCn3ncc(Br)c3C2)c(Br)n1 ZINC000862417288 653686217 /nfs/dbraw/zinc/68/62/17/653686217.db2.gz FMAORIPMMQUXJB-UHFFFAOYSA-N 1 2 375.068 2.157 20 0 GEADLO Cn1cc(C[N@H+]2CCn3ncc(Br)c3C2)c(Br)n1 ZINC000862417288 653686219 /nfs/dbraw/zinc/68/62/19/653686219.db2.gz FMAORIPMMQUXJB-UHFFFAOYSA-N 1 2 375.068 2.157 20 0 GEADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000862539628 653688176 /nfs/dbraw/zinc/68/81/76/653688176.db2.gz QXHIXWHXWMNBJH-ZETCQYMHSA-N 1 2 396.079 2.415 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)NN1Cc2ccc(Br)cc2C1=O ZINC000862647913 653691709 /nfs/dbraw/zinc/69/17/09/653691709.db2.gz YODGECDGRFQDQB-UHFFFAOYSA-N 1 2 389.253 2.212 20 0 GEADLO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1 ZINC000880014916 653692048 /nfs/dbraw/zinc/69/20/48/653692048.db2.gz TZSVLFHBTZCDJC-OLMNPRSZSA-N 1 2 387.929 2.145 20 0 GEADLO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1 ZINC000880014916 653692052 /nfs/dbraw/zinc/69/20/52/653692052.db2.gz TZSVLFHBTZCDJC-OLMNPRSZSA-N 1 2 387.929 2.145 20 0 GEADLO C[C@]12C[N@@H+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015380 653692236 /nfs/dbraw/zinc/69/22/36/653692236.db2.gz DKBCCPVCLVWRML-NXHRZFHOSA-N 1 2 382.913 2.202 20 0 GEADLO C[C@]12C[N@H+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015380 653692237 /nfs/dbraw/zinc/69/22/37/653692237.db2.gz DKBCCPVCLVWRML-NXHRZFHOSA-N 1 2 382.913 2.202 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000862754874 653694372 /nfs/dbraw/zinc/69/43/72/653694372.db2.gz GQZPIYLNFNGAFF-GFCCVEGCSA-N 1 2 396.563 2.318 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000862754874 653694375 /nfs/dbraw/zinc/69/43/75/653694375.db2.gz GQZPIYLNFNGAFF-GFCCVEGCSA-N 1 2 396.563 2.318 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)c2nc3ccc(Br)cn3n2)c1C ZINC000840921544 653701234 /nfs/dbraw/zinc/70/12/34/653701234.db2.gz VWYHQIRPPBUOHV-UHFFFAOYSA-N 1 2 390.241 2.442 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCS(=O)(=O)C3CC3)n2)C1 ZINC000840930256 653701608 /nfs/dbraw/zinc/70/16/08/653701608.db2.gz VJDMBYHYWFXWPS-LBPRGKRZSA-N 1 2 386.543 2.074 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCS(=O)(=O)C3CC3)n2)C1 ZINC000840930256 653701610 /nfs/dbraw/zinc/70/16/10/653701610.db2.gz VJDMBYHYWFXWPS-LBPRGKRZSA-N 1 2 386.543 2.074 20 0 GEADLO NC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CC[C@H](c3nccs3)C1)CCC2 ZINC000880317562 653703441 /nfs/dbraw/zinc/70/34/41/653703441.db2.gz PVKPETQESHCHOY-JTQLQIEISA-N 1 2 376.507 2.220 20 0 GEADLO NC(=O)c1c2c(sc1NC(=O)C[N@H+]1CC[C@H](c3nccs3)C1)CCC2 ZINC000880317562 653703443 /nfs/dbraw/zinc/70/34/43/653703443.db2.gz PVKPETQESHCHOY-JTQLQIEISA-N 1 2 376.507 2.220 20 0 GEADLO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC[N@@H+]1Cc1ccccc1 ZINC000817182184 653705513 /nfs/dbraw/zinc/70/55/13/653705513.db2.gz MBRWGTABLHAVEB-HIFRSBDPSA-N 1 2 384.307 2.029 20 0 GEADLO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC[N@H+]1Cc1ccccc1 ZINC000817182184 653705515 /nfs/dbraw/zinc/70/55/15/653705515.db2.gz MBRWGTABLHAVEB-HIFRSBDPSA-N 1 2 384.307 2.029 20 0 GEADLO Cn1cc(Br)c(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000817189410 653705899 /nfs/dbraw/zinc/70/58/99/653705899.db2.gz XXVKMMHFMWWOCO-UHFFFAOYSA-N 1 2 394.269 2.372 20 0 GEADLO BrC1(Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000863304733 653705916 /nfs/dbraw/zinc/70/59/16/653705916.db2.gz MVFMHAPIWSTYQA-CQSZACIVSA-N 1 2 378.274 2.174 20 0 GEADLO BrC1(Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000863304733 653705918 /nfs/dbraw/zinc/70/59/18/653705918.db2.gz MVFMHAPIWSTYQA-CQSZACIVSA-N 1 2 378.274 2.174 20 0 GEADLO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cn1cc(Br)cn1 ZINC000863312832 653706155 /nfs/dbraw/zinc/70/61/55/653706155.db2.gz JLRVGARVDPGFHA-UHFFFAOYSA-N 1 2 377.283 2.076 20 0 GEADLO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cn1cc(Br)cn1 ZINC000863312832 653706158 /nfs/dbraw/zinc/70/61/58/653706158.db2.gz JLRVGARVDPGFHA-UHFFFAOYSA-N 1 2 377.283 2.076 20 0 GEADLO O=C(COc1cccc(I)c1)OCCCn1cc[nH+]c1 ZINC000785282849 653706582 /nfs/dbraw/zinc/70/65/82/653706582.db2.gz KZWLDTXRWLZIPU-UHFFFAOYSA-N 1 2 386.189 2.500 20 0 GEADLO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1Cn1nc2cnccn2c1=O ZINC000863323616 653706588 /nfs/dbraw/zinc/70/65/88/653706588.db2.gz QDXYPTFSQPHTBI-TZMCWYRMSA-N 1 2 388.269 2.489 20 0 GEADLO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cn1nc2cnccn2c1=O ZINC000863323616 653706593 /nfs/dbraw/zinc/70/65/93/653706593.db2.gz QDXYPTFSQPHTBI-TZMCWYRMSA-N 1 2 388.269 2.489 20 0 GEADLO CC1(C)[C@H](NC(=O)C(=O)c2ccc(Br)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000880498069 653707023 /nfs/dbraw/zinc/70/70/23/653707023.db2.gz GCAADEQFHBKLMA-HUUCEWRRSA-N 1 2 395.297 2.247 20 0 GEADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000880562896 653708120 /nfs/dbraw/zinc/70/81/20/653708120.db2.gz UPEPYLFTUSKCIB-MRXNPFEDSA-N 1 2 381.226 2.214 20 0 GEADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000880562896 653708123 /nfs/dbraw/zinc/70/81/23/653708123.db2.gz UPEPYLFTUSKCIB-MRXNPFEDSA-N 1 2 381.226 2.214 20 0 GEADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000880563293 653708169 /nfs/dbraw/zinc/70/81/69/653708169.db2.gz ZFJBXQCAYGSUEN-MRXNPFEDSA-N 1 2 381.226 2.214 20 0 GEADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000880563293 653708170 /nfs/dbraw/zinc/70/81/70/653708170.db2.gz ZFJBXQCAYGSUEN-MRXNPFEDSA-N 1 2 381.226 2.214 20 0 GEADLO COC(=O)c1ncn(C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)n1 ZINC000817361745 653708722 /nfs/dbraw/zinc/70/87/22/653708722.db2.gz GVCCYOPIJWWTSV-ZDUSSCGKSA-N 1 2 379.258 2.492 20 0 GEADLO COC(=O)c1ncn(C[N@H+]2CCC[C@H]2Cc2ccccc2Br)n1 ZINC000817361745 653708725 /nfs/dbraw/zinc/70/87/25/653708725.db2.gz GVCCYOPIJWWTSV-ZDUSSCGKSA-N 1 2 379.258 2.492 20 0 GEADLO CNC(=O)[C@@H]1CC[N@H+](Cn2nc(Nc3cccc(OC)c3)sc2=S)C1 ZINC000817370701 653709086 /nfs/dbraw/zinc/70/90/86/653709086.db2.gz RYEMUFOEOYWAOV-LLVKDONJSA-N 1 2 379.511 2.452 20 0 GEADLO CNC(=O)[C@@H]1CC[N@@H+](Cn2nc(Nc3cccc(OC)c3)sc2=S)C1 ZINC000817370701 653709089 /nfs/dbraw/zinc/70/90/89/653709089.db2.gz RYEMUFOEOYWAOV-LLVKDONJSA-N 1 2 379.511 2.452 20 0 GEADLO Cc1cc(Br)nc(NC(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000817392156 653710189 /nfs/dbraw/zinc/71/01/89/653710189.db2.gz KFJAAWNAXSRCJH-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO Cc1cc(CNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)cc(C)[nH+]1 ZINC000817559697 653714313 /nfs/dbraw/zinc/71/43/13/653714313.db2.gz CLVUFEZFSTVNPV-UHFFFAOYSA-N 1 2 378.523 2.435 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C(F)(F)c1ccccc1Br ZINC000841457711 653718032 /nfs/dbraw/zinc/71/80/32/653718032.db2.gz VTUIHSYPNPOVIT-VXGBXAGGSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C(F)(F)c1ccccc1Br ZINC000841457711 653718033 /nfs/dbraw/zinc/71/80/33/653718033.db2.gz VTUIHSYPNPOVIT-VXGBXAGGSA-N 1 2 391.256 2.454 20 0 GEADLO O=S(=O)(NCC[NH+]1CCSCC1)c1ccc2sc(Cl)nc2c1 ZINC000841486534 653719949 /nfs/dbraw/zinc/71/99/49/653719949.db2.gz AFEJQWSPRZKFPE-UHFFFAOYSA-N 1 2 377.944 2.277 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000863932609 653722500 /nfs/dbraw/zinc/72/25/00/653722500.db2.gz UBTSHMXBFPCAOO-ZIAGYGMSSA-N 1 2 376.254 2.016 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(F)cc1Cl ZINC000841508348 653723220 /nfs/dbraw/zinc/72/32/20/653723220.db2.gz AJUZMMJKEGCQLE-WDEREUQCSA-N 1 2 392.880 2.369 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(F)cc1Cl ZINC000841508348 653723221 /nfs/dbraw/zinc/72/32/21/653723221.db2.gz AJUZMMJKEGCQLE-WDEREUQCSA-N 1 2 392.880 2.369 20 0 GEADLO COC(=O)c1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c(Br)c1 ZINC000787318695 653737103 /nfs/dbraw/zinc/73/71/03/653737103.db2.gz IBHQGYIXKSZFGM-CYBMUJFWSA-N 1 2 392.253 2.311 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)c3ccnnc3)cc2Br)CC1 ZINC000787535677 653739566 /nfs/dbraw/zinc/73/95/66/653739566.db2.gz IOKLHEHNQUKYMO-UHFFFAOYSA-N 1 2 376.258 2.243 20 0 GEADLO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n(C)n1 ZINC000787537930 653739868 /nfs/dbraw/zinc/73/98/68/653739868.db2.gz YWZYRMHVOPYXED-UHFFFAOYSA-N 1 2 392.301 2.495 20 0 GEADLO O=c1c(Br)c(N2CC[NH+](CC3CC3)CC2)cnn1CC(F)(F)F ZINC000881827058 653741940 /nfs/dbraw/zinc/74/19/40/653741940.db2.gz BSMSGAZUMDOMIZ-UHFFFAOYSA-N 1 2 395.223 2.100 20 0 GEADLO O=C(Cn1ccc(Br)cc1=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000864624760 653742627 /nfs/dbraw/zinc/74/26/27/653742627.db2.gz KEMYWKVPYAHFQW-UHFFFAOYSA-N 1 2 396.310 2.017 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+]Cc3nc(C)c(Br)s3)C2=O)n(C)n1 ZINC000842149761 653746655 /nfs/dbraw/zinc/74/66/55/653746655.db2.gz DRNLQSZYRJHICJ-JTQLQIEISA-N 1 2 384.303 2.151 20 0 GEADLO CC(=O)N[C@@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000864884960 653747668 /nfs/dbraw/zinc/74/76/68/653747668.db2.gz QPVHVDVWLOYCNE-IAQYHMDHSA-N 1 2 379.258 2.028 20 0 GEADLO COc1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cnc1Br ZINC000788214526 653752451 /nfs/dbraw/zinc/75/24/51/653752451.db2.gz RXJLVLDAHRFWDL-CQSZACIVSA-N 1 2 398.301 2.180 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=S)NCc1ccc(Br)cc1 ZINC000788334805 653754477 /nfs/dbraw/zinc/75/44/77/653754477.db2.gz VJDYOIODJDBJEI-ZDUSSCGKSA-N 1 2 386.359 2.476 20 0 GEADLO COC[C@H](c1cccc(Br)c1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000865334973 653760910 /nfs/dbraw/zinc/76/09/10/653760910.db2.gz VVOZVFNWPWKYML-UONOGXRCSA-N 1 2 393.241 2.023 20 0 GEADLO COC[C@H](c1cccc(Br)c1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000865334973 653760912 /nfs/dbraw/zinc/76/09/12/653760912.db2.gz VVOZVFNWPWKYML-UONOGXRCSA-N 1 2 393.241 2.023 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000819897837 653761020 /nfs/dbraw/zinc/76/10/20/653761020.db2.gz VATPUAXMZPEADG-JTQLQIEISA-N 1 2 396.220 2.382 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000819897837 653761023 /nfs/dbraw/zinc/76/10/23/653761023.db2.gz VATPUAXMZPEADG-JTQLQIEISA-N 1 2 396.220 2.382 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000819897823 653761029 /nfs/dbraw/zinc/76/10/29/653761029.db2.gz UWUQEMCZCDBCJM-AWEZNQCLSA-N 1 2 376.258 2.291 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000819897823 653761032 /nfs/dbraw/zinc/76/10/32/653761032.db2.gz UWUQEMCZCDBCJM-AWEZNQCLSA-N 1 2 376.258 2.291 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000819897826 653761057 /nfs/dbraw/zinc/76/10/57/653761057.db2.gz UWUQEMCZCDBCJM-CQSZACIVSA-N 1 2 376.258 2.291 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000819897826 653761058 /nfs/dbraw/zinc/76/10/58/653761058.db2.gz UWUQEMCZCDBCJM-CQSZACIVSA-N 1 2 376.258 2.291 20 0 GEADLO CC[N@@H+]1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)C[C@@H]1C ZINC000882131920 653764539 /nfs/dbraw/zinc/76/45/39/653764539.db2.gz OHRRXDIJGAQEBY-VIFPVBQESA-N 1 2 383.212 2.099 20 0 GEADLO CC[N@H+]1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)C[C@@H]1C ZINC000882131920 653764541 /nfs/dbraw/zinc/76/45/41/653764541.db2.gz OHRRXDIJGAQEBY-VIFPVBQESA-N 1 2 383.212 2.099 20 0 GEADLO O=C(c1nccn2c(Br)cnc12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788835655 653764995 /nfs/dbraw/zinc/76/49/95/653764995.db2.gz VSPQPWXWWIAXIA-GFCCVEGCSA-N 1 2 388.225 2.180 20 0 GEADLO Cc1ccnc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1Br ZINC000865614164 653770068 /nfs/dbraw/zinc/77/00/68/653770068.db2.gz ZAHIYBJPCWBBFV-LBPRGKRZSA-N 1 2 397.294 2.477 20 0 GEADLO O=S(=O)(/C=C/c1ccccc1Br)N1CC[NH2+]C[C@H]1C(F)F ZINC000842865378 653770972 /nfs/dbraw/zinc/77/09/72/653770972.db2.gz VGARIFHYRYUJMO-ZCRIDZFUSA-N 1 2 381.242 2.289 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)Cc1cscc1Br ZINC000842963529 653775002 /nfs/dbraw/zinc/77/50/02/653775002.db2.gz JGJVVEPNLUJLGI-WCQYABFASA-N 1 2 392.315 2.332 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)Cc1cscc1Br ZINC000842963529 653775006 /nfs/dbraw/zinc/77/50/06/653775006.db2.gz JGJVVEPNLUJLGI-WCQYABFASA-N 1 2 392.315 2.332 20 0 GEADLO CSc1ccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)cc1Cl ZINC000789599320 653778603 /nfs/dbraw/zinc/77/86/03/653778603.db2.gz ORUUAARPVXUHQA-UHFFFAOYSA-N 1 2 387.252 2.368 20 0 GEADLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)c2cccc3scnc32)C[C@H](C)O1 ZINC000820782500 653782886 /nfs/dbraw/zinc/78/28/86/653782886.db2.gz MRJWIWPBHBUOKB-BETUJISGSA-N 1 2 383.539 2.462 20 0 GEADLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)c2cccc3scnc32)C[C@H](C)O1 ZINC000820782500 653782888 /nfs/dbraw/zinc/78/28/88/653782888.db2.gz MRJWIWPBHBUOKB-BETUJISGSA-N 1 2 383.539 2.462 20 0 GEADLO CS(C)(=O)=NS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000820793957 653783614 /nfs/dbraw/zinc/78/36/14/653783614.db2.gz LQQGYHUBMVJEBC-UHFFFAOYSA-N 1 2 393.962 2.210 20 0 GEADLO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866101457 653785975 /nfs/dbraw/zinc/78/59/75/653785975.db2.gz MVJJAUOYMDQLKA-BLLLJJGKSA-N 1 2 393.285 2.111 20 0 GEADLO Cn1nc(Br)cc1C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000843428837 653786891 /nfs/dbraw/zinc/78/68/91/653786891.db2.gz NRXAGSMYPGXDNN-CQSZACIVSA-N 1 2 377.286 2.321 20 0 GEADLO Cn1nc(Br)cc1C[N@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000843428837 653786892 /nfs/dbraw/zinc/78/68/92/653786892.db2.gz NRXAGSMYPGXDNN-CQSZACIVSA-N 1 2 377.286 2.321 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cc(Cl)cc(Cl)n3)cc2C1 ZINC000790160050 653787471 /nfs/dbraw/zinc/78/74/71/653787471.db2.gz ZWWDUKFPSPZSPS-UHFFFAOYSA-N 1 2 379.247 2.484 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cc(Cl)cc(Cl)n3)cc2C1 ZINC000790160050 653787473 /nfs/dbraw/zinc/78/74/73/653787473.db2.gz ZWWDUKFPSPZSPS-UHFFFAOYSA-N 1 2 379.247 2.484 20 0 GEADLO O=C(c1cc(Br)cc(F)c1O)N1CC[NH+](C2CCOCC2)CC1 ZINC000866319341 653790666 /nfs/dbraw/zinc/79/06/66/653790666.db2.gz FBCKFAAIVGSPTI-UHFFFAOYSA-N 1 2 387.249 2.231 20 0 GEADLO C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)Oc1ccccc1Br ZINC000866353230 653791332 /nfs/dbraw/zinc/79/13/32/653791332.db2.gz DYUXQXUTRQIPQA-ZBKLQPJUSA-N 1 2 383.286 2.221 20 0 GEADLO O=C(c1cc(Br)cc(F)c1O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000866380515 653792142 /nfs/dbraw/zinc/79/21/42/653792142.db2.gz GMAHGTKLHZJFKQ-LLVKDONJSA-N 1 2 387.249 2.088 20 0 GEADLO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000866440180 653795679 /nfs/dbraw/zinc/79/56/79/653795679.db2.gz NZRKOZOOTBTNEQ-DKCNOQQISA-N 1 2 390.303 2.013 20 0 GEADLO C[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(I)cc1 ZINC000821385267 653796779 /nfs/dbraw/zinc/79/67/79/653796779.db2.gz JZJVYARJESUKQO-GXFFZTMASA-N 1 2 381.217 2.332 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844146093 653802565 /nfs/dbraw/zinc/80/25/65/653802565.db2.gz HNTAFKPRAQZAKK-CZUORRHYSA-N 1 2 378.270 2.400 20 0 GEADLO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc(Br)n[nH]1 ZINC000791388592 653812002 /nfs/dbraw/zinc/81/20/02/653812002.db2.gz AJDCXONCGQTDHX-UHFFFAOYSA-N 1 2 379.258 2.381 20 0 GEADLO O=S1(=O)C[C@@H](C[NH2+]Cc2csc(C(F)(F)F)n2)Oc2ccccc21 ZINC000895090272 653817118 /nfs/dbraw/zinc/81/71/18/653817118.db2.gz KGFFBIUYKKSYSM-SNVBAGLBSA-N 1 2 378.397 2.486 20 0 GEADLO CN1CCN(c2cc[nH+]cc2NC(=O)c2nc(Br)ccc2F)CC1 ZINC000791542961 653817236 /nfs/dbraw/zinc/81/72/36/653817236.db2.gz KMZRYRHHBFETEZ-UHFFFAOYSA-N 1 2 394.248 2.382 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883027134 653823026 /nfs/dbraw/zinc/82/30/26/653823026.db2.gz PPPZYKOZAKHODT-QMMMGPOBSA-N 1 2 379.214 2.320 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883027134 653823029 /nfs/dbraw/zinc/82/30/29/653823029.db2.gz PPPZYKOZAKHODT-QMMMGPOBSA-N 1 2 379.214 2.320 20 0 GEADLO COc1ccc(C[NH+]2CCC(n3nncc3I)CC2)o1 ZINC000895385583 653831477 /nfs/dbraw/zinc/83/14/77/653831477.db2.gz IKUQSUVTZMSESY-UHFFFAOYSA-N 1 2 388.209 2.321 20 0 GEADLO Cn1ccn2c(C[NH2+][C@@H]3CCc4c3cc(Br)cc4F)nnc2c1=O ZINC000883333553 653835827 /nfs/dbraw/zinc/83/58/27/653835827.db2.gz WNHGFLMNPCJQFL-CYBMUJFWSA-N 1 2 392.232 2.107 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(Br)c2nccnc2c1 ZINC000822710188 653837577 /nfs/dbraw/zinc/83/75/77/653837577.db2.gz JCJNWGHJQYVPAN-UHFFFAOYSA-N 1 2 393.285 2.233 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3ncc(Br)cc3O)C2)n1 ZINC000895507086 653838476 /nfs/dbraw/zinc/83/84/76/653838476.db2.gz LOVJOZZERWNEAU-INIZCTEOSA-N 1 2 397.273 2.065 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3ncc(Br)cc3O)C2)n1 ZINC000895507086 653838479 /nfs/dbraw/zinc/83/84/79/653838479.db2.gz LOVJOZZERWNEAU-INIZCTEOSA-N 1 2 397.273 2.065 20 0 GEADLO Cn1nccc1[C@H](O)C1CC[NH+](Cc2ncc(Br)cc2O)CC1 ZINC000895514238 653839151 /nfs/dbraw/zinc/83/91/51/653839151.db2.gz PDXGZRFHDHTSRS-MRXNPFEDSA-N 1 2 381.274 2.229 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000822952084 653847173 /nfs/dbraw/zinc/84/71/73/653847173.db2.gz LWOQVZXUUYIVLA-SECBINFHSA-N 1 2 383.461 2.443 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000822952084 653847175 /nfs/dbraw/zinc/84/71/75/653847175.db2.gz LWOQVZXUUYIVLA-SECBINFHSA-N 1 2 383.461 2.443 20 0 GEADLO COC(=O)c1ccoc1S(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000866906145 653847423 /nfs/dbraw/zinc/84/74/23/653847423.db2.gz ROSOYEQHMLPVNV-AWEZNQCLSA-N 1 2 386.857 2.301 20 0 GEADLO Brc1cnc([C@@H]2CCCN2c2cc(N3CCOCC3)[nH+]cn2)nc1 ZINC000895717028 653847737 /nfs/dbraw/zinc/84/77/37/653847737.db2.gz LQSFNFHZHGXEGP-ZDUSSCGKSA-N 1 2 391.273 2.207 20 0 GEADLO Brc1cnc([C@@H]2CCCN2c2cc(N3CCOCC3)nc[nH+]2)nc1 ZINC000895717028 653847743 /nfs/dbraw/zinc/84/77/43/653847743.db2.gz LQSFNFHZHGXEGP-ZDUSSCGKSA-N 1 2 391.273 2.207 20 0 GEADLO C[N@H+](CCc1cnccn1)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000792706598 653850467 /nfs/dbraw/zinc/85/04/67/653850467.db2.gz ABHGMBZHJLAFFZ-UHFFFAOYSA-N 1 2 381.205 2.418 20 0 GEADLO C[N@@H+](CCc1cnccn1)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000792706598 653850468 /nfs/dbraw/zinc/85/04/68/653850468.db2.gz ABHGMBZHJLAFFZ-UHFFFAOYSA-N 1 2 381.205 2.418 20 0 GEADLO O=C(Cn1cc(C[NH+]2CCC(O)CC2)nn1)Nc1cc(Cl)ccc1Cl ZINC000883992567 653860032 /nfs/dbraw/zinc/86/00/32/653860032.db2.gz UUIQFZIARLDITR-UHFFFAOYSA-N 1 2 384.267 2.180 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Br)c(SC)c1 ZINC000867011497 653865212 /nfs/dbraw/zinc/86/52/12/653865212.db2.gz RZFRIUWRDSXMTJ-LBPRGKRZSA-N 1 2 398.282 2.408 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Br)c(SC)c1 ZINC000867011497 653865216 /nfs/dbraw/zinc/86/52/16/653865216.db2.gz RZFRIUWRDSXMTJ-LBPRGKRZSA-N 1 2 398.282 2.408 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)cc1Cl ZINC000896194995 653868105 /nfs/dbraw/zinc/86/81/05/653868105.db2.gz VQWWYYFZIQIVKS-UHFFFAOYSA-N 1 2 380.901 2.459 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000793257012 653872619 /nfs/dbraw/zinc/87/26/19/653872619.db2.gz RTRINTKHGYMUPE-UHFFFAOYSA-N 1 2 376.214 2.163 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000896395808 653877399 /nfs/dbraw/zinc/87/73/99/653877399.db2.gz LQDSOZYZKYZWOY-SECBINFHSA-N 1 2 388.262 2.251 20 0 GEADLO C[N@H+](Cn1nccc1-c1ccc(F)c(Cl)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793569365 653879983 /nfs/dbraw/zinc/87/99/83/653879983.db2.gz PSCHMWAQSKWODV-CYBMUJFWSA-N 1 2 386.880 2.266 20 0 GEADLO C[N@@H+](Cn1nccc1-c1ccc(F)c(Cl)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793569365 653879986 /nfs/dbraw/zinc/87/99/86/653879986.db2.gz PSCHMWAQSKWODV-CYBMUJFWSA-N 1 2 386.880 2.266 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2)C1 ZINC000867198352 653892665 /nfs/dbraw/zinc/89/26/65/653892665.db2.gz INDZOIRNWAFQBD-LFPIHBKWSA-N 1 2 382.511 2.001 20 0 GEADLO CN1CC[NH+](CCCS(=O)(=O)Oc2ccc(C(F)(F)F)cc2F)CC1 ZINC000867212017 653895556 /nfs/dbraw/zinc/89/55/56/653895556.db2.gz AEKUCGPRHZSAHM-UHFFFAOYSA-N 1 2 384.395 2.191 20 0 GEADLO CC(=O)N[C@@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)c1cccc(Br)c1 ZINC000896905343 653898998 /nfs/dbraw/zinc/89/89/98/653898998.db2.gz FPCABJMTXAIXOB-OAHLLOKOSA-N 1 2 379.258 2.283 20 0 GEADLO Cc1[nH]c(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[nH+]c1C ZINC000896927496 653899671 /nfs/dbraw/zinc/89/96/71/653899671.db2.gz MZSBYLLSUBNNQA-LBPRGKRZSA-N 1 2 391.269 2.458 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000896980584 653901435 /nfs/dbraw/zinc/90/14/35/653901435.db2.gz MRDCKPVCIGUBLQ-MWLCHTKSSA-N 1 2 399.236 2.243 20 0 GEADLO C[NH+](C)C[C@@H](NS(=O)(=O)N=S1(=O)CCCC1)c1ccc(Cl)cc1 ZINC000867240525 653901376 /nfs/dbraw/zinc/90/13/76/653901376.db2.gz GUDOSFQLLYHMHZ-CQSZACIVSA-N 1 2 379.935 2.039 20 0 GEADLO COCCOc1ccc(Br)cc1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867256411 653903298 /nfs/dbraw/zinc/90/32/98/653903298.db2.gz VUTJGSFSKRQTOO-IHWYPQMZSA-N 1 2 399.285 2.301 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824838819 653909867 /nfs/dbraw/zinc/90/98/67/653909867.db2.gz SKAOMDHQJPNRLD-NXEZZACHSA-N 1 2 395.223 2.025 20 0 GEADLO Cn1ncc(Br)c1C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824838819 653909870 /nfs/dbraw/zinc/90/98/70/653909870.db2.gz SKAOMDHQJPNRLD-NXEZZACHSA-N 1 2 395.223 2.025 20 0 GEADLO O=C1[C@@H](N2CC[NH+](CC3(Br)CC3)CC2)CCN1c1ccccc1 ZINC000846804062 653910877 /nfs/dbraw/zinc/91/08/77/653910877.db2.gz HTCJSFPWIXVRRF-INIZCTEOSA-N 1 2 378.314 2.337 20 0 GEADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)[nH]n1 ZINC000897327416 653916344 /nfs/dbraw/zinc/91/63/44/653916344.db2.gz HOSTZNRBTIURDF-HOTGVXAUSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)[nH]n1 ZINC000897327416 653916347 /nfs/dbraw/zinc/91/63/47/653916347.db2.gz HOSTZNRBTIURDF-HOTGVXAUSA-N 1 2 393.285 2.402 20 0 GEADLO COC(=O)[C@H]1[C@@H](C[NH2+]C2(c3ncc(Br)cn3)CCC2)C1(F)F ZINC000897351361 653917293 /nfs/dbraw/zinc/91/72/93/653917293.db2.gz CPJVNOCXRHFLBM-NXEZZACHSA-N 1 2 376.201 2.262 20 0 GEADLO O=C(c1nc(Br)ccc1F)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825100182 653917999 /nfs/dbraw/zinc/91/79/99/653917999.db2.gz XIRRFQKBGBKCKU-UHFFFAOYSA-N 1 2 393.260 2.379 20 0 GEADLO COC[C@H]1CCC[N@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000825321736 653924974 /nfs/dbraw/zinc/92/49/74/653924974.db2.gz MKCMGKBMENTDQD-LSDHHAIUSA-N 1 2 389.949 2.453 20 0 GEADLO COC[C@H]1CCC[N@@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000825321736 653924976 /nfs/dbraw/zinc/92/49/76/653924976.db2.gz MKCMGKBMENTDQD-LSDHHAIUSA-N 1 2 389.949 2.453 20 0 GEADLO Cn1nc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1Br ZINC000825401130 653928038 /nfs/dbraw/zinc/92/80/38/653928038.db2.gz ZAYBFXADVKNHMO-UHFFFAOYSA-N 1 2 379.258 2.267 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2nn3c(c2Br)CCC3)C1 ZINC000897583167 653928447 /nfs/dbraw/zinc/92/84/47/653928447.db2.gz IHJGEQSGKQDSOB-LLVKDONJSA-N 1 2 378.274 2.345 20 0 GEADLO COc1nsc(C[NH+]2CCC(CN3CCNC3=O)CC2)c1Br ZINC000897580611 653928491 /nfs/dbraw/zinc/92/84/91/653928491.db2.gz RLBHKDJTPXBWLO-UHFFFAOYSA-N 1 2 389.319 2.151 20 0 GEADLO C[C@@H](NC(=O)c1cnc(Cl)c(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000847447770 653929064 /nfs/dbraw/zinc/92/90/64/653929064.db2.gz UGIMRNCKZNTTQT-ZJUUUORDSA-N 1 2 376.682 2.337 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N[C@H]1CCn2c[nH+]cc21 ZINC000825513442 653932009 /nfs/dbraw/zinc/93/20/09/653932009.db2.gz UDJOMTPHTWHFQU-PWSUYJOCSA-N 1 2 375.226 2.333 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000847556793 653934114 /nfs/dbraw/zinc/93/41/14/653934114.db2.gz IRJXXTVTEIQYEE-MNOVXSKESA-N 1 2 376.400 2.335 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C[N@H+]1C1CC1 ZINC000847556793 653934115 /nfs/dbraw/zinc/93/41/15/653934115.db2.gz IRJXXTVTEIQYEE-MNOVXSKESA-N 1 2 376.400 2.335 20 0 GEADLO CC(C)c1cc(=O)[nH]c(N2CC[C@@H]([NH2+]Cc3cn(C)nc3Br)C2)n1 ZINC000897706241 653934146 /nfs/dbraw/zinc/93/41/46/653934146.db2.gz LNDGGRROLTWFKF-GFCCVEGCSA-N 1 2 395.305 2.170 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000847589571 653936319 /nfs/dbraw/zinc/93/63/19/653936319.db2.gz KHKGTQKEPAJXMO-UHFFFAOYSA-N 1 2 375.372 2.339 20 0 GEADLO CCc1ccc(Br)cc1C(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000898081850 653952749 /nfs/dbraw/zinc/95/27/49/653952749.db2.gz UNNDEMZJDDQYIX-AWEZNQCLSA-N 1 2 380.242 2.180 20 0 GEADLO C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1Br)[C@H](C)[NH+]1CCOCC1 ZINC000826571985 653953618 /nfs/dbraw/zinc/95/36/18/653953618.db2.gz MRTXOHFOAJATIE-NEPJUHHUSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@H](NC(=O)[C@@]1(C)CC1(Br)Br)[C@H](C)[NH+]1CCOCC1 ZINC000826572244 653953643 /nfs/dbraw/zinc/95/36/43/653953643.db2.gz OFINADMULCMETB-JBLDHEPKSA-N 1 2 398.139 2.108 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2COCCN2CC(F)(F)F)n1 ZINC000898313191 653962239 /nfs/dbraw/zinc/96/22/39/653962239.db2.gz VDDKOKCKWPOVIM-LBPRGKRZSA-N 1 2 380.436 2.187 20 0 GEADLO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2nc(Cl)ccc2Br)C1 ZINC000898349730 653964188 /nfs/dbraw/zinc/96/41/88/653964188.db2.gz CGHGBMBXZXRGMM-JOYOIKCWSA-N 1 2 392.681 2.036 20 0 GEADLO OC[C@H]([NH2+]Cc1cnn2c1CCC2)c1ccccc1I ZINC000898513636 653975132 /nfs/dbraw/zinc/97/51/32/653975132.db2.gz WXZNBFOZGAGICO-AWEZNQCLSA-N 1 2 383.233 2.257 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)c(F)cc1Cl ZINC000795924581 653977453 /nfs/dbraw/zinc/97/74/53/653977453.db2.gz JXYSRJZKJHFIIY-UHFFFAOYSA-N 1 2 390.864 2.196 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)c(F)cc1Cl ZINC000795924581 653977458 /nfs/dbraw/zinc/97/74/58/653977458.db2.gz JXYSRJZKJHFIIY-UHFFFAOYSA-N 1 2 390.864 2.196 20 0 GEADLO CN(C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000827292599 653984867 /nfs/dbraw/zinc/98/48/67/653984867.db2.gz QYMLATKFPSDCPZ-CYBMUJFWSA-N 1 2 376.400 2.289 20 0 GEADLO CN(C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000827292599 653984870 /nfs/dbraw/zinc/98/48/70/653984870.db2.gz QYMLATKFPSDCPZ-CYBMUJFWSA-N 1 2 376.400 2.289 20 0 GEADLO CC(=O)N[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)c1cccc(Br)c1 ZINC000898810626 653987161 /nfs/dbraw/zinc/98/71/61/653987161.db2.gz MUGWSAZNQRAKMW-UKRRQHHQSA-N 1 2 377.242 2.084 20 0 GEADLO Cc1cc(Br)ccc1SCC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898882601 653990660 /nfs/dbraw/zinc/99/06/60/653990660.db2.gz YLTRSDFUBYLYLE-GFCCVEGCSA-N 1 2 384.299 2.433 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cc(Br)ccc1OC(F)F ZINC000898891449 653990972 /nfs/dbraw/zinc/99/09/72/653990972.db2.gz IXOMODVYHRPNRJ-JTQLQIEISA-N 1 2 390.184 2.247 20 0 GEADLO Cc1c2cc(C(=O)N[C@H](CO)c3c[nH+]cn3C)[nH]c2ccc1Br ZINC000898891072 653991026 /nfs/dbraw/zinc/99/10/26/653991026.db2.gz GEXTXZRBPAVHFJ-CQSZACIVSA-N 1 2 377.242 2.436 20 0 GEADLO Cc1csc([C@@](O)(CC(=O)NCC(C)(C)n2cc[nH+]c2)C(F)(F)F)n1 ZINC000898900986 653991456 /nfs/dbraw/zinc/99/14/56/653991456.db2.gz AGJHKLIXDYQOML-AWEZNQCLSA-N 1 2 376.404 2.340 20 0 GEADLO CC(C)(CNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)n1cc[nH+]c1 ZINC000898912309 653991829 /nfs/dbraw/zinc/99/18/29/653991829.db2.gz GIQXZZCDQBKLRI-CQSZACIVSA-N 1 2 392.253 2.279 20 0 GEADLO O=c1[nH]ccn2c(C[NH2+][C@H]3CCc4c3cc(Br)cc4F)nnc12 ZINC000886702849 653995344 /nfs/dbraw/zinc/99/53/44/653995344.db2.gz FFYZEYJCBRQOHP-LBPRGKRZSA-N 1 2 378.205 2.096 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1ccc(C2SCCS2)cc1 ZINC000899052206 653997264 /nfs/dbraw/zinc/99/72/64/653997264.db2.gz ABKCQADCSAYOKS-UHFFFAOYSA-N 1 2 380.535 2.344 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1ccc(C2SCCS2)cc1 ZINC000899052206 653997266 /nfs/dbraw/zinc/99/72/66/653997266.db2.gz ABKCQADCSAYOKS-UHFFFAOYSA-N 1 2 380.535 2.344 20 0 GEADLO CC(C)(C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)c1cccc(Br)c1 ZINC000899059655 653997606 /nfs/dbraw/zinc/99/76/06/653997606.db2.gz QUNVIXAMFYCCTG-UHFFFAOYSA-N 1 2 397.313 2.292 20 0 GEADLO CC(C)(C(=O)NCC[N@H+]1CCC2(C1)OCCO2)c1cccc(Br)c1 ZINC000899059655 653997608 /nfs/dbraw/zinc/99/76/08/653997608.db2.gz QUNVIXAMFYCCTG-UHFFFAOYSA-N 1 2 397.313 2.292 20 0 GEADLO Cc1nn(-c2ccccc2Cl)cc1CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000848887907 653999593 /nfs/dbraw/zinc/99/95/93/653999593.db2.gz HXKVZDNMEAGUSD-RUZDIDTESA-N 1 2 380.945 2.330 20 0 GEADLO Cn1c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc2cc(Br)cnc21 ZINC000899220930 654005072 /nfs/dbraw/zinc/00/50/72/654005072.db2.gz SAGMNYOVFGUBOV-ZDUSSCGKSA-N 1 2 383.265 2.500 20 0 GEADLO Cn1c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc2cc(Br)cnc21 ZINC000899220930 654005076 /nfs/dbraw/zinc/00/50/76/654005076.db2.gz SAGMNYOVFGUBOV-ZDUSSCGKSA-N 1 2 383.265 2.500 20 0 GEADLO COC(=O)c1sccc1N1C(=O)C[C@@H]([NH+]2CCC(CSC)CC2)C1=O ZINC000899245586 654006305 /nfs/dbraw/zinc/00/63/05/654006305.db2.gz RSDABLMZXLDAEU-CYBMUJFWSA-N 1 2 382.507 2.242 20 0 GEADLO S=C(NCc1ccc(Br)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000849288924 654010704 /nfs/dbraw/zinc/01/07/04/654010704.db2.gz GDNYGCPGLCZOPO-HNNXBMFYSA-N 1 2 384.343 2.230 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=S)Nc2ccccc2OCC(F)(F)F)C1 ZINC000899470217 654016562 /nfs/dbraw/zinc/01/65/62/654016562.db2.gz KISQAWXRJSHPCW-LBPRGKRZSA-N 1 2 376.448 2.160 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=S)Nc2ccccc2OCC(F)(F)F)C1 ZINC000899470217 654016565 /nfs/dbraw/zinc/01/65/65/654016565.db2.gz KISQAWXRJSHPCW-LBPRGKRZSA-N 1 2 376.448 2.160 20 0 GEADLO CCn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)CCc1c[nH+]cn1C ZINC000899487719 654017812 /nfs/dbraw/zinc/01/78/12/654017812.db2.gz SNHDHHZPRMWSRC-UHFFFAOYSA-N 1 2 379.873 2.368 20 0 GEADLO CNC(=O)C1([NH2+]Cc2coc(-c3ccc(Br)cc3)n2)CCOCC1 ZINC000887084811 654019605 /nfs/dbraw/zinc/01/96/05/654019605.db2.gz NALLCPGTDUNXIP-UHFFFAOYSA-N 1 2 394.269 2.489 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ncccc2Br)C1 ZINC000849390408 654021407 /nfs/dbraw/zinc/02/14/07/654021407.db2.gz NVIXARJKXAGMPW-LLVKDONJSA-N 1 2 385.287 2.146 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000849407960 654025481 /nfs/dbraw/zinc/02/54/81/654025481.db2.gz RDNSLKMWEHVOGV-NSHDSACASA-N 1 2 394.324 2.262 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000849407960 654025484 /nfs/dbraw/zinc/02/54/84/654025484.db2.gz RDNSLKMWEHVOGV-NSHDSACASA-N 1 2 394.324 2.262 20 0 GEADLO CC(C)n1ncc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1Br ZINC000868274735 654026952 /nfs/dbraw/zinc/02/69/52/654026952.db2.gz HSLNLLIGDIZKMX-STQMWFEESA-N 1 2 385.306 2.162 20 0 GEADLO CCOC(=O)CS[C@H](CNC(=O)c1cccc2[nH+]ccn21)C(F)(F)F ZINC000828518380 654039795 /nfs/dbraw/zinc/03/97/95/654039795.db2.gz MWTLTXDKQLACKW-LLVKDONJSA-N 1 2 375.372 2.291 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000868563420 654043820 /nfs/dbraw/zinc/04/38/20/654043820.db2.gz HJCGDHBBJXKJRJ-OWOJBTEDSA-N 1 2 391.269 2.462 20 0 GEADLO O=C(c1nc(Br)sc1Cl)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000868631791 654047090 /nfs/dbraw/zinc/04/70/90/654047090.db2.gz OLOISEWLLBSILC-VIFPVBQESA-N 1 2 394.722 2.496 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2COc3cccc(Br)c3C2)c1 ZINC000868693429 654050723 /nfs/dbraw/zinc/05/07/23/654050723.db2.gz OFDHOVRJTLJYGL-LBPRGKRZSA-N 1 2 379.258 2.028 20 0 GEADLO C[C@@H]1CN(C(=O)C(F)(F)c2ccccc2Br)CC[N@@H+]1CCO ZINC000829046966 654058387 /nfs/dbraw/zinc/05/83/87/654058387.db2.gz LQJRSEYLSDZHCT-LLVKDONJSA-N 1 2 377.229 2.066 20 0 GEADLO C[C@@H]1CN(C(=O)C(F)(F)c2ccccc2Br)CC[N@H+]1CCO ZINC000829046966 654058389 /nfs/dbraw/zinc/05/83/89/654058389.db2.gz LQJRSEYLSDZHCT-LLVKDONJSA-N 1 2 377.229 2.066 20 0 GEADLO O=C(c1cc2ncc(Br)cn2n1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000900563184 654069962 /nfs/dbraw/zinc/06/99/62/654069962.db2.gz OZGOCWFCLIJBNU-LBPRGKRZSA-N 1 2 375.230 2.166 20 0 GEADLO CC1(C)CN(C(=O)C(F)(F)c2ccccc2Br)CC[N@@H+]1CCO ZINC000829688425 654076711 /nfs/dbraw/zinc/07/67/11/654076711.db2.gz XVFFFDLZOFOOLP-UHFFFAOYSA-N 1 2 391.256 2.456 20 0 GEADLO CC1(C)CN(C(=O)C(F)(F)c2ccccc2Br)CC[N@H+]1CCO ZINC000829688425 654076714 /nfs/dbraw/zinc/07/67/14/654076714.db2.gz XVFFFDLZOFOOLP-UHFFFAOYSA-N 1 2 391.256 2.456 20 0 GEADLO C[C@@H](CNC(=O)Cc1c[nH]c2ccc(Br)cc12)[NH+]1CCN(C)CC1 ZINC000900694220 654076799 /nfs/dbraw/zinc/07/67/99/654076799.db2.gz AWUPFNRCQBKPKU-ZDUSSCGKSA-N 1 2 393.329 2.225 20 0 GEADLO O=C(c1csc(I)n1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000829806162 654080723 /nfs/dbraw/zinc/08/07/23/654080723.db2.gz HBRAZIWFLPBPHH-UHFFFAOYSA-N 1 2 388.234 2.491 20 0 GEADLO O=C(c1csc(I)n1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000829806162 654080727 /nfs/dbraw/zinc/08/07/27/654080727.db2.gz HBRAZIWFLPBPHH-UHFFFAOYSA-N 1 2 388.234 2.491 20 0 GEADLO Cn1cc([C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c2cccc(F)c2)cn1 ZINC000850517935 654080928 /nfs/dbraw/zinc/08/09/28/654080928.db2.gz ACZYJUOJZOLYSB-AWEZNQCLSA-N 1 2 379.379 2.215 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900812171 654082407 /nfs/dbraw/zinc/08/24/07/654082407.db2.gz SKHNXSLXJUPGJD-KOLCDFICSA-N 1 2 396.504 2.356 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900812171 654082410 /nfs/dbraw/zinc/08/24/10/654082410.db2.gz SKHNXSLXJUPGJD-KOLCDFICSA-N 1 2 396.504 2.356 20 0 GEADLO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Br)cc(F)c2O)CCO1 ZINC000869313278 654086674 /nfs/dbraw/zinc/08/66/74/654086674.db2.gz GNLYZIAZYBUAJP-LBPRGKRZSA-N 1 2 389.265 2.477 20 0 GEADLO C[N@H+](C[C@H](O)c1ccc(F)cn1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000799311814 654091365 /nfs/dbraw/zinc/09/13/65/654091365.db2.gz FRDNHXAFAKWSAG-GJZGRUSLSA-N 1 2 382.233 2.175 20 0 GEADLO C[N@@H+](C[C@H](O)c1ccc(F)cn1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000799311814 654091372 /nfs/dbraw/zinc/09/13/72/654091372.db2.gz FRDNHXAFAKWSAG-GJZGRUSLSA-N 1 2 382.233 2.175 20 0 GEADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC=C(Br)C1 ZINC000799327928 654092626 /nfs/dbraw/zinc/09/26/26/654092626.db2.gz IXAZQTXLYWGNFA-AWEZNQCLSA-N 1 2 379.302 2.103 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000916882195 654110466 /nfs/dbraw/zinc/11/04/66/654110466.db2.gz FYGGZLVOKZJLQC-CABCVRRESA-N 1 2 383.290 2.021 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000916882195 654110471 /nfs/dbraw/zinc/11/04/71/654110471.db2.gz FYGGZLVOKZJLQC-CABCVRRESA-N 1 2 383.290 2.021 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000916882197 654110571 /nfs/dbraw/zinc/11/05/71/654110571.db2.gz FYGGZLVOKZJLQC-HUUCEWRRSA-N 1 2 383.290 2.021 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000916882197 654110575 /nfs/dbraw/zinc/11/05/75/654110575.db2.gz FYGGZLVOKZJLQC-HUUCEWRRSA-N 1 2 383.290 2.021 20 0 GEADLO CSc1cc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)ncn1 ZINC000888942440 654114510 /nfs/dbraw/zinc/11/45/10/654114510.db2.gz RGKCSCDFSPCYAP-UHFFFAOYSA-N 1 2 376.511 2.468 20 0 GEADLO COc1cc(Br)cc(CNC(=O)/C=C(\C)C[NH+]2CCOCC2)c1 ZINC000830419517 654116184 /nfs/dbraw/zinc/11/61/84/654116184.db2.gz YUKAKCOQWTZKPN-NTUHNPAUSA-N 1 2 383.286 2.352 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](OC(=O)N(C)C)C1)c1ccc(Br)cc1 ZINC000830488125 654121312 /nfs/dbraw/zinc/12/13/12/654121312.db2.gz SLEUVMSREYOQAU-DOMZBBRYSA-N 1 2 398.301 2.399 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CC[C@H](OC(=O)N(C)C)C1)c1ccc(Br)cc1 ZINC000830488125 654121315 /nfs/dbraw/zinc/12/13/15/654121315.db2.gz SLEUVMSREYOQAU-DOMZBBRYSA-N 1 2 398.301 2.399 20 0 GEADLO O=C(NCCO)C1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000799932398 654121479 /nfs/dbraw/zinc/12/14/79/654121479.db2.gz OJWXIIPJYFTEGH-UHFFFAOYSA-N 1 2 396.260 2.461 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)COc2ccc(F)cc2Br)CCO1 ZINC000800099102 654129260 /nfs/dbraw/zinc/12/92/60/654129260.db2.gz NTNPWKANQYTLSF-NSHDSACASA-N 1 2 376.222 2.231 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)COc2ccc(F)cc2Br)CCO1 ZINC000800099102 654129262 /nfs/dbraw/zinc/12/92/62/654129262.db2.gz NTNPWKANQYTLSF-NSHDSACASA-N 1 2 376.222 2.231 20 0 GEADLO CC(C)N(C)S(=O)(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000917862278 654135979 /nfs/dbraw/zinc/13/59/79/654135979.db2.gz JJWNGPOZAGGNAD-UHFFFAOYSA-N 1 2 379.448 2.408 20 0 GEADLO O=C(Nc1nc2cc(Br)c(F)cc2[nH]1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000889645928 654154724 /nfs/dbraw/zinc/15/47/24/654154724.db2.gz AUBDGPIUCJXWJS-SECBINFHSA-N 1 2 383.221 2.124 20 0 GEADLO O=C([O-])CCC[NH+]1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000902149145 654166002 /nfs/dbraw/zinc/16/60/02/654166002.db2.gz IYMHQJYDSFWPPD-UHFFFAOYSA-N 1 2 398.301 2.306 20 0 GEADLO COC(CC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)OC ZINC000851715021 654171650 /nfs/dbraw/zinc/17/16/50/654171650.db2.gz XPVYWEOUSOKBHR-UHFFFAOYSA-N 1 2 397.324 2.309 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)CCn1cnc(Br)n1 ZINC000851776806 654176475 /nfs/dbraw/zinc/17/64/75/654176475.db2.gz AXWPNFHNJZUAHV-AWEZNQCLSA-N 1 2 381.274 2.147 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)CCn1cnc(Br)n1 ZINC000851776806 654176480 /nfs/dbraw/zinc/17/64/80/654176480.db2.gz AXWPNFHNJZUAHV-AWEZNQCLSA-N 1 2 381.274 2.147 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@H+](Cn3c(=O)sc4c3CCCC4)C2)s1 ZINC000902439689 654177924 /nfs/dbraw/zinc/17/79/24/654177924.db2.gz UMVVXDCSXQAIRX-NSHDSACASA-N 1 2 379.507 2.479 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@@H+](Cn3c(=O)sc4c3CCCC4)C2)s1 ZINC000902439689 654177928 /nfs/dbraw/zinc/17/79/28/654177928.db2.gz UMVVXDCSXQAIRX-NSHDSACASA-N 1 2 379.507 2.479 20 0 GEADLO O=C(CN1CC[NH+](CCOC(F)F)CC1)Nc1ccc(Br)cc1 ZINC000851815156 654181204 /nfs/dbraw/zinc/18/12/04/654181204.db2.gz BIDNSEJDMMBXKG-UHFFFAOYSA-N 1 2 392.244 2.244 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)n1 ZINC000919757536 654191778 /nfs/dbraw/zinc/19/17/78/654191778.db2.gz VMBOAFIICBRFMO-WDEREUQCSA-N 1 2 378.420 2.381 20 0 GEADLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000801457932 654196116 /nfs/dbraw/zinc/19/61/16/654196116.db2.gz QTSSBJXBRMZAQZ-IUODEOHRSA-N 1 2 388.917 2.420 20 0 GEADLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000801457932 654196123 /nfs/dbraw/zinc/19/61/23/654196123.db2.gz QTSSBJXBRMZAQZ-IUODEOHRSA-N 1 2 388.917 2.420 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000919990917 654198470 /nfs/dbraw/zinc/19/84/70/654198470.db2.gz SHWBCUVJIHIKDH-GXSJLCMTSA-N 1 2 384.304 2.045 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000919990917 654198474 /nfs/dbraw/zinc/19/84/74/654198474.db2.gz SHWBCUVJIHIKDH-GXSJLCMTSA-N 1 2 384.304 2.045 20 0 GEADLO O=C(Cn1cc[nH+]c1)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000870888842 654204394 /nfs/dbraw/zinc/20/43/94/654204394.db2.gz QZSVUPVRQOWJRM-LBPRGKRZSA-N 1 2 379.258 2.103 20 0 GEADLO NC(=O)[C@@](O)(C[N@@H+]1CCc2cc(Br)cc(F)c2C1)c1ccccc1 ZINC000851905724 654205173 /nfs/dbraw/zinc/20/51/73/654205173.db2.gz ODQQPQCAQHSSDZ-GOSISDBHSA-N 1 2 393.256 2.319 20 0 GEADLO NC(=O)[C@@](O)(C[N@H+]1CCc2cc(Br)cc(F)c2C1)c1ccccc1 ZINC000851905724 654205175 /nfs/dbraw/zinc/20/51/75/654205175.db2.gz ODQQPQCAQHSSDZ-GOSISDBHSA-N 1 2 393.256 2.319 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920257587 654206301 /nfs/dbraw/zinc/20/63/01/654206301.db2.gz FXJJIJDHNMZXCI-LLVKDONJSA-N 1 2 388.295 2.141 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@](C)(CO)Cc1ccc(Br)cc1 ZINC000870944088 654211847 /nfs/dbraw/zinc/21/18/47/654211847.db2.gz BEKZQINPGFZPTL-PXAZEXFGSA-N 1 2 380.286 2.461 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@](C)(CO)Cc1ccc(Br)cc1 ZINC000870944088 654211849 /nfs/dbraw/zinc/21/18/49/654211849.db2.gz BEKZQINPGFZPTL-PXAZEXFGSA-N 1 2 380.286 2.461 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)c1cc(Br)n[nH]1 ZINC000870997567 654215669 /nfs/dbraw/zinc/21/56/69/654215669.db2.gz WBIIOPLYORHBTF-UHFFFAOYSA-N 1 2 382.287 2.050 20 0 GEADLO Cn1ncc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1Br ZINC000870996105 654215702 /nfs/dbraw/zinc/21/57/02/654215702.db2.gz YWHXQGVJQAYRHW-UHFFFAOYSA-N 1 2 396.314 2.061 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000903088884 654215791 /nfs/dbraw/zinc/21/57/91/654215791.db2.gz VEKWRFNOZOPFJO-AWEZNQCLSA-N 1 2 389.543 2.244 20 0 GEADLO O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920613512 654217369 /nfs/dbraw/zinc/21/73/69/654217369.db2.gz AFAXWZDMLJDLLG-UHFFFAOYSA-N 1 2 375.376 2.089 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1F)Cn1cc[nH+]c1 ZINC000903150617 654221873 /nfs/dbraw/zinc/22/18/73/654221873.db2.gz VEHDMLFFUWTVJS-SNVBAGLBSA-N 1 2 376.251 2.399 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@@H+](Cc1cc(Cl)ccc1F)C[C@@H](O)CO ZINC000852180129 654223391 /nfs/dbraw/zinc/22/33/91/654223391.db2.gz QQPGDMBIIAQKQP-CQSZACIVSA-N 1 2 376.856 2.159 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@H+](Cc1cc(Cl)ccc1F)C[C@@H](O)CO ZINC000852180129 654223396 /nfs/dbraw/zinc/22/33/96/654223396.db2.gz QQPGDMBIIAQKQP-CQSZACIVSA-N 1 2 376.856 2.159 20 0 GEADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000802241166 654223661 /nfs/dbraw/zinc/22/36/61/654223661.db2.gz JZYBALMCHBHSNM-CHWSQXEVSA-N 1 2 399.260 2.389 20 0 GEADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000802241166 654223665 /nfs/dbraw/zinc/22/36/65/654223665.db2.gz JZYBALMCHBHSNM-CHWSQXEVSA-N 1 2 399.260 2.389 20 0 GEADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000802240642 654223793 /nfs/dbraw/zinc/22/37/93/654223793.db2.gz BTRCEUSKSOOZFL-CABCVRRESA-N 1 2 386.876 2.442 20 0 GEADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000802240642 654223796 /nfs/dbraw/zinc/22/37/96/654223796.db2.gz BTRCEUSKSOOZFL-CABCVRRESA-N 1 2 386.876 2.442 20 0 GEADLO CN(C)Cc1csc(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)n1 ZINC000903221614 654227905 /nfs/dbraw/zinc/22/79/05/654227905.db2.gz XFYJPEZESQYLNF-INIZCTEOSA-N 1 2 380.539 2.019 20 0 GEADLO COc1cc([C@@H](C)[NH2+]Cc2nc(CN(C)C)cs2)ccc1S(C)(=O)=O ZINC000903224885 654228370 /nfs/dbraw/zinc/22/83/70/654228370.db2.gz AFXCKNJREJQRBA-GFCCVEGCSA-N 1 2 383.539 2.468 20 0 GEADLO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(F)cc1OC(F)F ZINC000903230061 654230118 /nfs/dbraw/zinc/23/01/18/654230118.db2.gz ULACFMIFJMWABV-VIFPVBQESA-N 1 2 388.433 2.135 20 0 GEADLO COC(=O)c1coc([C@H](C)[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000903324075 654234417 /nfs/dbraw/zinc/23/44/17/654234417.db2.gz GVGDBNZTPIULSZ-QPUJVOFHSA-N 1 2 394.225 2.438 20 0 GEADLO CN1CCCc2ccc(S(=O)(=O)NCc3nc(C[NH+](C)C)cs3)cc21 ZINC000921104906 654236287 /nfs/dbraw/zinc/23/62/87/654236287.db2.gz LQBPYIAUXUEPIA-UHFFFAOYSA-N 1 2 380.539 2.066 20 0 GEADLO C[C@H]1CS(=O)(=O)CCCN1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000921173030 654237556 /nfs/dbraw/zinc/23/75/56/654237556.db2.gz CULAXDKNDHGPJQ-BBRMVZONSA-N 1 2 387.933 2.161 20 0 GEADLO CCOCCO[C@H]1CC[N@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000802736661 654238488 /nfs/dbraw/zinc/23/84/88/654238488.db2.gz NNIXFGZJXTUYIJ-HNNXBMFYSA-N 1 2 383.286 2.490 20 0 GEADLO CCOCCO[C@H]1CC[N@@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000802736661 654238492 /nfs/dbraw/zinc/23/84/92/654238492.db2.gz NNIXFGZJXTUYIJ-HNNXBMFYSA-N 1 2 383.286 2.490 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852436110 654239663 /nfs/dbraw/zinc/23/96/63/654239663.db2.gz VNSVRBAHBPGEHB-BXUZGUMPSA-N 1 2 382.258 2.303 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852436110 654239670 /nfs/dbraw/zinc/23/96/70/654239670.db2.gz VNSVRBAHBPGEHB-BXUZGUMPSA-N 1 2 382.258 2.303 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852436185 654239911 /nfs/dbraw/zinc/23/99/11/654239911.db2.gz XKSHHELQTXEVGK-ZDUSSCGKSA-N 1 2 382.258 2.223 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852436185 654239915 /nfs/dbraw/zinc/23/99/15/654239915.db2.gz XKSHHELQTXEVGK-ZDUSSCGKSA-N 1 2 382.258 2.223 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)C(F)(F)c2nccs2)CC1 ZINC000871542184 654242085 /nfs/dbraw/zinc/24/20/85/654242085.db2.gz ARMOGXXLAJBBJN-UHFFFAOYSA-N 1 2 375.441 2.157 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cscc1Br ZINC000921320697 654246588 /nfs/dbraw/zinc/24/65/88/654246588.db2.gz QJMUSPOFSNJAKA-QWRGUYRKSA-N 1 2 397.385 2.369 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1cscc1Br ZINC000921320697 654246593 /nfs/dbraw/zinc/24/65/93/654246593.db2.gz QJMUSPOFSNJAKA-QWRGUYRKSA-N 1 2 397.385 2.369 20 0 GEADLO Cc1ccc(C[NH+]2CCC(n3nncc3I)CC2)nc1 ZINC000852533297 654247201 /nfs/dbraw/zinc/24/72/01/654247201.db2.gz XGXZFCTXXVHLIW-UHFFFAOYSA-N 1 2 383.237 2.423 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921322503 654247617 /nfs/dbraw/zinc/24/76/17/654247617.db2.gz TZVYCDGZUZJVHT-CHWSQXEVSA-N 1 2 376.931 2.207 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921322503 654247621 /nfs/dbraw/zinc/24/76/21/654247621.db2.gz TZVYCDGZUZJVHT-CHWSQXEVSA-N 1 2 376.931 2.207 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921323957 654248196 /nfs/dbraw/zinc/24/81/96/654248196.db2.gz QGMGQISTBMZMCD-CHWSQXEVSA-N 1 2 376.931 2.207 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921323957 654248204 /nfs/dbraw/zinc/24/82/04/654248204.db2.gz QGMGQISTBMZMCD-CHWSQXEVSA-N 1 2 376.931 2.207 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1c(Cl)ccnc1Cl ZINC000921322864 654248383 /nfs/dbraw/zinc/24/83/83/654248383.db2.gz YUTMSDLHRTUOKG-WDEREUQCSA-N 1 2 382.338 2.247 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1c(Cl)ccnc1Cl ZINC000921322864 654248387 /nfs/dbraw/zinc/24/83/87/654248387.db2.gz YUTMSDLHRTUOKG-WDEREUQCSA-N 1 2 382.338 2.247 20 0 GEADLO C[C@]1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1(Br)Br ZINC000832518071 654271357 /nfs/dbraw/zinc/27/13/57/654271357.db2.gz VVZXARDZIWHKEL-GZMMTYOYSA-N 1 2 377.080 2.210 20 0 GEADLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)CC1 ZINC000832524111 654271714 /nfs/dbraw/zinc/27/17/14/654271714.db2.gz LGJIIYWKKJZGAP-ZDUSSCGKSA-N 1 2 387.933 2.147 20 0 GEADLO CN(C)C(=O)N[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000832550882 654274318 /nfs/dbraw/zinc/27/43/18/654274318.db2.gz VIHFAZHBMCSKLC-SWLSCSKDSA-N 1 2 388.281 2.357 20 0 GEADLO CN(C)C(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000832550882 654274328 /nfs/dbraw/zinc/27/43/28/654274328.db2.gz VIHFAZHBMCSKLC-SWLSCSKDSA-N 1 2 388.281 2.357 20 0 GEADLO CN(C)C(=O)N[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000832550883 654274527 /nfs/dbraw/zinc/27/45/27/654274527.db2.gz VIHFAZHBMCSKLC-WFASDCNBSA-N 1 2 388.281 2.357 20 0 GEADLO CN(C)C(=O)N[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000832550883 654274529 /nfs/dbraw/zinc/27/45/29/654274529.db2.gz VIHFAZHBMCSKLC-WFASDCNBSA-N 1 2 388.281 2.357 20 0 GEADLO C[C@H]1CN(c2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cn2)C[C@H](C)O1 ZINC000921537998 654279070 /nfs/dbraw/zinc/27/90/70/654279070.db2.gz JDUBYWVBYZNOEY-RYUDHWBXSA-N 1 2 380.290 2.471 20 0 GEADLO C[C@H]([NH2+]Cc1nc(Br)c[nH]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000921564718 654281368 /nfs/dbraw/zinc/28/13/68/654281368.db2.gz WLZGLARIZZSXEQ-JTQLQIEISA-N 1 2 387.303 2.273 20 0 GEADLO CCn1c(Br)c(Br)nc1C[NH2+]Cc1cnn(C)c1 ZINC000921583602 654286515 /nfs/dbraw/zinc/28/65/15/654286515.db2.gz YADMRGYORMXHBV-UHFFFAOYSA-N 1 2 377.084 2.451 20 0 GEADLO O=c1oc2cc(Br)ccc2n1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000853521058 654300562 /nfs/dbraw/zinc/30/05/62/654300562.db2.gz WBILRRVURSQUIR-UHFFFAOYSA-N 1 2 378.226 2.184 20 0 GEADLO O=c1oc2cc(Br)ccc2n1C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000853521058 654300565 /nfs/dbraw/zinc/30/05/65/654300565.db2.gz WBILRRVURSQUIR-UHFFFAOYSA-N 1 2 378.226 2.184 20 0 GEADLO CCC[N@H+](C)[C@@H](CNC(=O)C[C@@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000804127821 654301344 /nfs/dbraw/zinc/30/13/44/654301344.db2.gz BAZBPHBTUBLTGU-KBPBESRZSA-N 1 2 382.917 2.396 20 0 GEADLO CCC[N@@H+](C)[C@@H](CNC(=O)C[C@@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000804127821 654301350 /nfs/dbraw/zinc/30/13/50/654301350.db2.gz BAZBPHBTUBLTGU-KBPBESRZSA-N 1 2 382.917 2.396 20 0 GEADLO Brc1ccn(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n1 ZINC000853531781 654301408 /nfs/dbraw/zinc/30/14/08/654301408.db2.gz KFZBMYGZJWNWCT-CVEARBPZSA-N 1 2 377.286 2.188 20 0 GEADLO Brc1ccn(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1 ZINC000853531781 654301412 /nfs/dbraw/zinc/30/14/12/654301412.db2.gz KFZBMYGZJWNWCT-CVEARBPZSA-N 1 2 377.286 2.188 20 0 GEADLO NS(=O)(=O)c1ccc(N2CC[NH+](Cc3cc(O)cc(Cl)c3)CC2)cc1 ZINC000891588243 654301372 /nfs/dbraw/zinc/30/13/72/654301372.db2.gz VAJQDRQKEMUYPO-UHFFFAOYSA-N 1 2 381.885 2.015 20 0 GEADLO O=C(c1ccc[n+]([O-])c1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804269550 654304232 /nfs/dbraw/zinc/30/42/32/654304232.db2.gz YHEASARDZWOHQR-UHFFFAOYSA-N 1 2 391.225 2.215 20 0 GEADLO Cc1nc(C[NH2+]CCS(=O)(=O)NCC2CCC2)sc1Br ZINC000921719585 654310781 /nfs/dbraw/zinc/31/07/81/654310781.db2.gz SLPKTLWOUUPJOA-UHFFFAOYSA-N 1 2 382.349 2.023 20 0 GEADLO Cc1nc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)sc1Br ZINC000921735587 654315412 /nfs/dbraw/zinc/31/54/12/654315412.db2.gz NXWWUCKNZOGFKZ-LLVKDONJSA-N 1 2 399.236 2.487 20 0 GEADLO CCOC(=O)c1cn(CC[NH+]2CCCCC2)nc1I ZINC000853707661 654316349 /nfs/dbraw/zinc/31/63/49/654316349.db2.gz PQFBUCITLUTZDJ-UHFFFAOYSA-N 1 2 377.226 2.150 20 0 GEADLO CC(C)(C)OC(=O)Nc1ccsc1C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000892077189 654327448 /nfs/dbraw/zinc/32/74/48/654327448.db2.gz NMNGXDDXGJPSMX-NSHDSACASA-N 1 2 375.516 2.219 20 0 GEADLO CC(C)(C)OC(=O)Nc1ccsc1C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000892077189 654327451 /nfs/dbraw/zinc/32/74/51/654327451.db2.gz NMNGXDDXGJPSMX-NSHDSACASA-N 1 2 375.516 2.219 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCCSC[C@H]1C1CC1 ZINC000892258667 654336992 /nfs/dbraw/zinc/33/69/92/654336992.db2.gz DOKDVCQUTNUAPH-WMZOPIPTSA-N 1 2 385.599 2.121 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1C ZINC000872443575 654337204 /nfs/dbraw/zinc/33/72/04/654337204.db2.gz UVAJQXIPOKFNCR-HSZRJFAPSA-N 1 2 377.532 2.280 20 0 GEADLO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1n[nH]c(C)c1Br ZINC000834710986 654344765 /nfs/dbraw/zinc/34/47/65/654344765.db2.gz HPHDAGSRXPAMOC-GFCCVEGCSA-N 1 2 379.258 2.276 20 0 GEADLO Cc1ccc(CNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c(N2CCCC2)[nH+]1 ZINC000872469899 654347683 /nfs/dbraw/zinc/34/76/83/654347683.db2.gz BHHMMPIDLMNTCC-DEOSSOPVSA-N 1 2 388.559 2.221 20 0 GEADLO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)cc1 ZINC000872485309 654352929 /nfs/dbraw/zinc/35/29/29/654352929.db2.gz NPNUYOKNVHYGLT-OYLFLEFRSA-N 1 2 391.559 2.029 20 0 GEADLO C[NH+](C)C[C@@H](NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1ccc(F)cc1 ZINC000872488453 654353823 /nfs/dbraw/zinc/35/38/23/654353823.db2.gz VZGREXNKTQFFOJ-FATZIPQQSA-N 1 2 379.523 2.159 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1csc(C(F)(F)F)n1)NCc1ccccc1 ZINC000892715195 654360925 /nfs/dbraw/zinc/36/09/25/654360925.db2.gz VMBBGMYACLAFOO-UHFFFAOYSA-N 1 2 379.429 2.371 20 0 GEADLO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000835165000 654367167 /nfs/dbraw/zinc/36/71/67/654367167.db2.gz MPDLAFCDXFTEBW-GFCCVEGCSA-N 1 2 392.257 2.151 20 0 GEADLO CCn1c(C[NH2+]C(COC)COC)nc(Br)c1Br ZINC000922164555 654373246 /nfs/dbraw/zinc/37/32/46/654373246.db2.gz VZXKOZIJSCAZAS-UHFFFAOYSA-N 1 2 385.100 2.179 20 0 GEADLO CC(C)[C@H](CNC(=O)c1nn(C(C)C)cc1Br)[NH+]1CCOCC1 ZINC000905681798 654373550 /nfs/dbraw/zinc/37/35/50/654373550.db2.gz XNBJVNHJHCAZCV-AWEZNQCLSA-N 1 2 387.322 2.313 20 0 GEADLO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1c(Br)cnn1C ZINC000922302784 654382038 /nfs/dbraw/zinc/38/20/38/654382038.db2.gz RSAQZKIJVAMXHX-LLVKDONJSA-N 1 2 382.258 2.413 20 0 GEADLO Cn1c(=S)n(C[NH+]2CCC3(CCSCC3)CC2)nc1N1CCOCC1 ZINC000872644960 654384947 /nfs/dbraw/zinc/38/49/47/654384947.db2.gz YYEMYRNOFJEEQQ-UHFFFAOYSA-N 1 2 383.587 2.354 20 0 GEADLO COC(=O)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccc(Br)cc1 ZINC000854983393 654392653 /nfs/dbraw/zinc/39/26/53/654392653.db2.gz DNEMQACCHCQKKD-UONOGXRCSA-N 1 2 392.253 2.130 20 0 GEADLO NC(=O)[C@H](C[NH2+]Cc1ncc(Br)cc1O)Cc1ccc(F)cc1 ZINC000893312409 654396711 /nfs/dbraw/zinc/39/67/11/654396711.db2.gz QFWNPSWKCFSELS-NSHDSACASA-N 1 2 382.233 2.123 20 0 GEADLO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000922492187 654396908 /nfs/dbraw/zinc/39/69/08/654396908.db2.gz KLCYPQWUKSPMGU-UHFFFAOYSA-N 1 2 392.449 2.372 20 0 GEADLO CC(C)(C)n1cc(C[NH2+]Cc2cccc(O)c2Br)c(=O)[nH]c1=O ZINC000922496624 654397703 /nfs/dbraw/zinc/39/77/03/654397703.db2.gz KTMFUEUAPOGPQP-UHFFFAOYSA-N 1 2 382.258 2.462 20 0 GEADLO CC(C)(C)n1cc(C[NH2+]Cc2c(F)cncc2Br)c(=O)[nH]c1=O ZINC000922498716 654398457 /nfs/dbraw/zinc/39/84/57/654398457.db2.gz YLEHBOLBEIDNFU-UHFFFAOYSA-N 1 2 385.237 2.290 20 0 GEADLO COc1cc(C[NH+](C)C)ccc1NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000906066337 654412917 /nfs/dbraw/zinc/41/29/17/654412917.db2.gz AQJRPDADLCKFSB-HSZRJFAPSA-N 1 2 377.532 2.310 20 0 GEADLO COc1cc(C[NH+](C)C)ccc1NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000906066338 654412979 /nfs/dbraw/zinc/41/29/79/654412979.db2.gz AQJRPDADLCKFSB-QHCPKHFHSA-N 1 2 377.532 2.310 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)[C@]1(F)CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000906081723 654415420 /nfs/dbraw/zinc/41/54/20/654415420.db2.gz PVFQQHJTRSQENW-ZFWWWQNUSA-N 1 2 397.299 2.239 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000855405887 654417147 /nfs/dbraw/zinc/41/71/47/654417147.db2.gz AJTILFSBTWHDNJ-MNOVXSKESA-N 1 2 392.244 2.365 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000855405887 654417149 /nfs/dbraw/zinc/41/71/49/654417149.db2.gz AJTILFSBTWHDNJ-MNOVXSKESA-N 1 2 392.244 2.365 20 0 GEADLO Cc1nn(C)c(C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)c1Br ZINC000922858688 654417241 /nfs/dbraw/zinc/41/72/41/654417241.db2.gz GXIHJQBSCCUBQW-SNVBAGLBSA-N 1 2 375.267 2.132 20 0 GEADLO Cc1nn(C)c(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)c1Br ZINC000922860632 654417274 /nfs/dbraw/zinc/41/72/74/654417274.db2.gz GXIHJQBSCCUBQW-JTQLQIEISA-N 1 2 375.267 2.132 20 0 GEADLO CC(C)(C)S(=O)(=O)CCCOC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000873385155 654427056 /nfs/dbraw/zinc/42/70/56/654427056.db2.gz SXDRGEXHLFRMPC-UHFFFAOYSA-N 1 2 375.531 2.168 20 0 GEADLO COC(=O)CC[N@@H+](Cc1c(I)cnn1C)CC(C)C ZINC000893961376 654433786 /nfs/dbraw/zinc/43/37/86/654433786.db2.gz FVSOQHBNBCCJTC-UHFFFAOYSA-N 1 2 379.242 2.046 20 0 GEADLO COC(=O)CC[N@H+](Cc1c(I)cnn1C)CC(C)C ZINC000893961376 654433792 /nfs/dbraw/zinc/43/37/92/654433792.db2.gz FVSOQHBNBCCJTC-UHFFFAOYSA-N 1 2 379.242 2.046 20 0 GEADLO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000923238728 654436066 /nfs/dbraw/zinc/43/60/66/654436066.db2.gz NHZBUTFMWGQHPZ-HOTGVXAUSA-N 1 2 385.302 2.353 20 0 GEADLO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000923238728 654436071 /nfs/dbraw/zinc/43/60/71/654436071.db2.gz NHZBUTFMWGQHPZ-HOTGVXAUSA-N 1 2 385.302 2.353 20 0 GEADLO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000923238728 654436078 /nfs/dbraw/zinc/43/60/78/654436078.db2.gz NHZBUTFMWGQHPZ-HOTGVXAUSA-N 1 2 385.302 2.353 20 0 GEADLO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000923238728 654436083 /nfs/dbraw/zinc/43/60/83/654436083.db2.gz NHZBUTFMWGQHPZ-HOTGVXAUSA-N 1 2 385.302 2.353 20 0 GEADLO COC(=O)CCC1CC[NH+](Cc2c(I)cnn2C)CC1 ZINC000894019501 654439220 /nfs/dbraw/zinc/43/92/20/654439220.db2.gz HEXKMOPAGOKAAK-UHFFFAOYSA-N 1 2 391.253 2.190 20 0 GEADLO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC000906457941 654439991 /nfs/dbraw/zinc/43/99/91/654439991.db2.gz YRCHPEQQRUPTTL-GOSISDBHSA-N 1 2 382.551 2.450 20 0 GEADLO COc1ccc(C[NH2+]Cc2cn(C)nc2I)cc1F ZINC000894163460 654451646 /nfs/dbraw/zinc/45/16/46/654451646.db2.gz XAHIARFOAUAHHX-UHFFFAOYSA-N 1 2 375.185 2.462 20 0 GEADLO COc1cccc(C[NH2+]Cc2cn(C)nc2I)c1OC ZINC000894192600 654454290 /nfs/dbraw/zinc/45/42/90/654454290.db2.gz GCUXPCGRZUDMFP-UHFFFAOYSA-N 1 2 387.221 2.332 20 0 GEADLO COc1nc(C)cc(C)c1C[NH2+]Cc1c(I)cnn1C ZINC000894221078 654457245 /nfs/dbraw/zinc/45/72/45/654457245.db2.gz MIDBKEXSJFJIQU-UHFFFAOYSA-N 1 2 386.237 2.335 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000894374659 654470840 /nfs/dbraw/zinc/47/08/40/654470840.db2.gz JSWCWUXDEIMHEM-GWCFXTLKSA-N 1 2 377.270 2.254 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000894374659 654470842 /nfs/dbraw/zinc/47/08/42/654470842.db2.gz JSWCWUXDEIMHEM-GWCFXTLKSA-N 1 2 377.270 2.254 20 0 GEADLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCc2cnc(Cl)s2)CC1 ZINC000923691183 654477610 /nfs/dbraw/zinc/47/76/10/654477610.db2.gz CNKIMVFQKJAHQH-UHFFFAOYSA-N 1 2 382.921 2.174 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)c2nn(C(C)C)cc2Br)CC1 ZINC000906875547 654481805 /nfs/dbraw/zinc/48/18/05/654481805.db2.gz QHHJRDJRSQFXKY-UHFFFAOYSA-N 1 2 387.322 2.409 20 0 GEADLO O=S(=O)(CC[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21)c1ccc(Cl)cc1 ZINC000856790059 654494433 /nfs/dbraw/zinc/49/44/33/654494433.db2.gz UVFAGEKPKCLOHF-KRWDZBQOSA-N 1 2 399.921 2.373 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000894692134 654494567 /nfs/dbraw/zinc/49/45/67/654494567.db2.gz CJSNVPBJLQLDLC-UHFFFAOYSA-N 1 2 394.163 2.311 20 0 GEADLO CO[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000906975016 654494744 /nfs/dbraw/zinc/49/47/44/654494744.db2.gz JLUDFRRUDDFLOP-RISCZKNCSA-N 1 2 389.315 2.131 20 0 GEADLO Cn1cc(C[NH2+]Cc2ccc([S@](C)=O)cc2)c(I)n1 ZINC000894785880 654499179 /nfs/dbraw/zinc/49/91/79/654499179.db2.gz CRTYRSIPQROBFB-IBGZPJMESA-N 1 2 389.262 2.052 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)oc1Cl ZINC000907158759 654516078 /nfs/dbraw/zinc/51/60/78/654516078.db2.gz GRKSVEAEICXXFK-JTQLQIEISA-N 1 2 387.845 2.021 20 0 GEADLO C[C@@H]1CCN(C(=O)NCc2cn(C)nc2Br)C[C@H]1n1cc[nH+]c1 ZINC000924558979 654518316 /nfs/dbraw/zinc/51/83/16/654518316.db2.gz GCIXBFCPTLNDRT-DGCLKSJQSA-N 1 2 381.278 2.172 20 0 GEADLO C[C@H]1CN(C(=O)NCc2nc(C[NH+](C)C)cs2)CC[C@@H](C(F)(F)F)O1 ZINC000924790745 654524817 /nfs/dbraw/zinc/52/48/17/654524817.db2.gz JRQKKMQYIVOAMP-JQWIXIFHSA-N 1 2 380.436 2.456 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NC[C@@H](O)Cc2cccc(Cl)c2)n1 ZINC000924792128 654525119 /nfs/dbraw/zinc/52/51/19/654525119.db2.gz SGPXDPJGASFXEV-HNNXBMFYSA-N 1 2 382.917 2.261 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)oc1Cl ZINC000907267631 654525174 /nfs/dbraw/zinc/52/51/74/654525174.db2.gz DZYBRWQOAVUYQV-NEPJUHHUSA-N 1 2 376.862 2.015 20 0 GEADLO COc1cc(Br)ccc1CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907518290 654552406 /nfs/dbraw/zinc/55/24/06/654552406.db2.gz DYLIXZHXKMKSQX-LCYFTJDESA-N 1 2 383.286 2.352 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cnn(C)n3)C2=O)ccc1Br ZINC000926183680 654562964 /nfs/dbraw/zinc/56/29/64/654562964.db2.gz ORDHNFYBDVDQLT-SMDDNHRTSA-N 1 2 378.274 2.342 20 0 GEADLO Cc1c(Br)cccc1CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000926342343 654568509 /nfs/dbraw/zinc/56/85/09/654568509.db2.gz KUAVSPOMQJKKIU-INIZCTEOSA-N 1 2 396.329 2.416 20 0 GEADLO CCn1nc(C)c([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000926371198 654569525 /nfs/dbraw/zinc/56/95/25/654569525.db2.gz XFRNFNHABUKJKB-JTQLQIEISA-N 1 2 389.884 2.028 20 0 GEADLO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000926420480 654570748 /nfs/dbraw/zinc/57/07/48/654570748.db2.gz XVJMPXQJMCXOLL-ZDUSSCGKSA-N 1 2 385.921 2.450 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)NCC(C)(C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000926741544 654581349 /nfs/dbraw/zinc/58/13/49/654581349.db2.gz OFWPGYYSFVWZTF-HNNXBMFYSA-N 1 2 389.949 2.313 20 0 GEADLO CS(=O)(=O)C[C@@H](O)C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000927027596 654589931 /nfs/dbraw/zinc/58/99/31/654589931.db2.gz GKQTVOZFYHZQRE-ZFWWWQNUSA-N 1 2 388.283 2.127 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2nn3c(c2Br)CCC3)n1 ZINC000927759925 654612414 /nfs/dbraw/zinc/61/24/14/654612414.db2.gz BEMHKCWUZBHZKM-UHFFFAOYSA-N 1 2 384.303 2.040 20 0 GEADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928357234 654642649 /nfs/dbraw/zinc/64/26/49/654642649.db2.gz GXCCNLXCADYRKL-AAEUAGOBSA-N 1 2 376.258 2.362 20 0 GEADLO Cc1cc(C)c(C(=O)NCc2nn(C)cc2I)c(C)[nH+]1 ZINC000909248984 654657237 /nfs/dbraw/zinc/65/72/37/654657237.db2.gz NGDBPEBQNAXGAC-UHFFFAOYSA-N 1 2 384.221 2.275 20 0 GEADLO C/C(=C/C(=O)N(C)C[C@@H](O)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000909410730 654663698 /nfs/dbraw/zinc/66/36/98/654663698.db2.gz HFYOGAWFYUHCPF-VWILAXROSA-N 1 2 397.313 2.219 20 0 GEADLO C[C@H](CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)c1ccc(Br)cc1 ZINC000929005925 654670062 /nfs/dbraw/zinc/67/00/62/654670062.db2.gz QIWCRBJYTZNZSR-YGRLFVJLSA-N 1 2 377.242 2.439 20 0 GEADLO C[C@H](CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)c1ccc(Br)cc1 ZINC000929005925 654670065 /nfs/dbraw/zinc/67/00/65/654670065.db2.gz QIWCRBJYTZNZSR-YGRLFVJLSA-N 1 2 377.242 2.439 20 0 GEADLO Cc1cc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)cnc1Br ZINC000929100260 654671885 /nfs/dbraw/zinc/67/18/85/654671885.db2.gz QCLMPGUFEIZTSO-UHFFFAOYSA-N 1 2 395.345 2.283 20 0 GEADLO CC[C@](O)(C[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1)C(F)(F)F ZINC000929416325 654683322 /nfs/dbraw/zinc/68/33/22/654683322.db2.gz JORZEBWEJCHMBS-HNNXBMFYSA-N 1 2 383.432 2.494 20 0 GEADLO CC[C@](O)(C[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1)C(F)(F)F ZINC000929416325 654683324 /nfs/dbraw/zinc/68/33/24/654683324.db2.gz JORZEBWEJCHMBS-HNNXBMFYSA-N 1 2 383.432 2.494 20 0 GEADLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c1 ZINC000930213747 654702014 /nfs/dbraw/zinc/70/20/14/654702014.db2.gz OZNUBNATRSRDGF-SNVBAGLBSA-N 1 2 376.404 2.198 20 0 GEADLO Cn1nc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)cc1Br ZINC000910778063 654710874 /nfs/dbraw/zinc/71/08/74/654710874.db2.gz QAPGGSNGKCMZQO-UHFFFAOYSA-N 1 2 375.270 2.283 20 0 GEADLO Cn1nc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)cc1Br ZINC000910778063 654710875 /nfs/dbraw/zinc/71/08/75/654710875.db2.gz QAPGGSNGKCMZQO-UHFFFAOYSA-N 1 2 375.270 2.283 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@H]2CCC3(COC3)O2)c1 ZINC000930625446 654715709 /nfs/dbraw/zinc/71/57/09/654715709.db2.gz WPGQAFXRFPXLBI-CJNGLKHVSA-N 1 2 386.286 2.371 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@H]2CCC3(COC3)O2)c1 ZINC000930625446 654715712 /nfs/dbraw/zinc/71/57/12/654715712.db2.gz WPGQAFXRFPXLBI-CJNGLKHVSA-N 1 2 386.286 2.371 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cnc(Cl)c(Br)c2)CCO1 ZINC000930828224 654721332 /nfs/dbraw/zinc/72/13/32/654721332.db2.gz ZCBYKSDFJBPTRQ-SECBINFHSA-N 1 2 377.670 2.340 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cnc(Cl)c(Br)c2)CCO1 ZINC000930828224 654721335 /nfs/dbraw/zinc/72/13/35/654721335.db2.gz ZCBYKSDFJBPTRQ-SECBINFHSA-N 1 2 377.670 2.340 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCc2c(=O)[nH]n(C)c2C1)c1ccc(Br)cc1 ZINC000931200138 654733457 /nfs/dbraw/zinc/73/34/57/654733457.db2.gz QGJHSBZDWRGDSE-NSHDSACASA-N 1 2 393.285 2.124 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCc2c(=O)[nH]n(C)c2C1)c1ccc(Br)cc1 ZINC000931200138 654733460 /nfs/dbraw/zinc/73/34/60/654733460.db2.gz QGJHSBZDWRGDSE-NSHDSACASA-N 1 2 393.285 2.124 20 0 GEADLO C/C(=C\C(=O)N[C@](C)(CO)c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000912173328 654745050 /nfs/dbraw/zinc/74/50/50/654745050.db2.gz IHKJSFBHQZKFOZ-GPZRYRNASA-N 1 2 397.313 2.051 20 0 GEADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCSC[C@H]1C(C)(C)C ZINC000931597246 654748341 /nfs/dbraw/zinc/74/83/41/654748341.db2.gz SDNSNDILDZSRBN-HNNXBMFYSA-N 1 2 385.555 2.044 20 0 GEADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCSC[C@H]1C(C)(C)C ZINC000931597246 654748343 /nfs/dbraw/zinc/74/83/43/654748343.db2.gz SDNSNDILDZSRBN-HNNXBMFYSA-N 1 2 385.555 2.044 20 0 GEADLO COC(=O)C[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)c1ccc(Br)cc1 ZINC000912455697 654754638 /nfs/dbraw/zinc/75/46/38/654754638.db2.gz XPBZYQILONAGEV-MNOVXSKESA-N 1 2 379.201 2.152 20 0 GEADLO Cc1ncc(CNC(=O)CC[N@@H+](C)Cc2ncc(Br)cn2)s1 ZINC000931861076 654759168 /nfs/dbraw/zinc/75/91/68/654759168.db2.gz IZTHEKAGBNRQLG-UHFFFAOYSA-N 1 2 384.303 2.142 20 0 GEADLO Cc1ncc(CNC(=O)CC[N@H+](C)Cc2ncc(Br)cn2)s1 ZINC000931861076 654759173 /nfs/dbraw/zinc/75/91/73/654759173.db2.gz IZTHEKAGBNRQLG-UHFFFAOYSA-N 1 2 384.303 2.142 20 0 GEADLO Cc1c(C(=O)N[C@@H]2CCn3c[nH+]cc32)nnn1-c1ccccc1Br ZINC000912583264 654760166 /nfs/dbraw/zinc/76/01/66/654760166.db2.gz CWEQZQPLNGMWIN-GFCCVEGCSA-N 1 2 387.241 2.410 20 0 GEADLO CC(C)(CNC(=O)c1cnnn1-c1ccccc1Br)n1cc[nH+]c1 ZINC000912615107 654760948 /nfs/dbraw/zinc/76/09/48/654760948.db2.gz WEHUSGPNDYKXGG-UHFFFAOYSA-N 1 2 389.257 2.391 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)[C@H](CO)C1 ZINC000912741034 654766114 /nfs/dbraw/zinc/76/61/14/654766114.db2.gz JULUKZBXAYQGKV-LBPRGKRZSA-N 1 2 381.192 2.216 20 0 GEADLO C[N@H+]1CCN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)[C@H](CO)C1 ZINC000912741034 654766115 /nfs/dbraw/zinc/76/61/15/654766115.db2.gz JULUKZBXAYQGKV-LBPRGKRZSA-N 1 2 381.192 2.216 20 0 GEADLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)nn1-c1ccc(Cl)cc1Cl ZINC000912740426 654766131 /nfs/dbraw/zinc/76/61/31/654766131.db2.gz XBNPCMGNHTWRQN-ZDUSSCGKSA-N 1 2 383.279 2.236 20 0 GEADLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2CO)nn1-c1ccc(Cl)cc1Cl ZINC000912740426 654766132 /nfs/dbraw/zinc/76/61/32/654766132.db2.gz XBNPCMGNHTWRQN-ZDUSSCGKSA-N 1 2 383.279 2.236 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000932086330 654766342 /nfs/dbraw/zinc/76/63/42/654766342.db2.gz BKSANVBRONYHDH-VIFPVBQESA-N 1 2 383.802 2.325 20 0 GEADLO C[C@]1(C2CC[NH+](CCS(=O)(=O)c3ccc(Cl)cc3)CC2)COC(=O)N1 ZINC000932089192 654766610 /nfs/dbraw/zinc/76/66/10/654766610.db2.gz PTEJCGMLYCYRGY-QGZVFWFLSA-N 1 2 386.901 2.324 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932199780 654769798 /nfs/dbraw/zinc/76/97/98/654769798.db2.gz AHTYQZKXBOEWCU-CQSZACIVSA-N 1 2 388.555 2.154 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932199780 654769800 /nfs/dbraw/zinc/76/98/00/654769800.db2.gz AHTYQZKXBOEWCU-CQSZACIVSA-N 1 2 388.555 2.154 20 0 GEADLO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H]2c2cncc(Br)c2)C1=O ZINC000932255096 654772859 /nfs/dbraw/zinc/77/28/59/654772859.db2.gz HNATWUPEHVPDAL-CYBMUJFWSA-N 1 2 381.274 2.311 20 0 GEADLO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@H]2c2cncc(Br)c2)C1=O ZINC000932255096 654772863 /nfs/dbraw/zinc/77/28/63/654772863.db2.gz HNATWUPEHVPDAL-CYBMUJFWSA-N 1 2 381.274 2.311 20 0 GEADLO COc1ccc(CCC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)cc1Br ZINC000913442257 654792237 /nfs/dbraw/zinc/79/22/37/654792237.db2.gz CADFDGQXJXCIFL-HNNXBMFYSA-N 1 2 393.285 2.287 20 0 GEADLO O=C(N1CC[NH2+][C@@H](c2cn[nH]c2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000913444167 654792307 /nfs/dbraw/zinc/79/23/07/654792307.db2.gz XMPOBDFRYWSJLE-OAHLLOKOSA-N 1 2 375.270 2.377 20 0 GEADLO Cc1ccc(I)c(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c1 ZINC000913444974 654792325 /nfs/dbraw/zinc/79/23/25/654792325.db2.gz ILLDFPZRIUOAIJ-AWEZNQCLSA-N 1 2 396.232 2.109 20 0 GEADLO Cc1ccc(I)cc1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913446949 654792543 /nfs/dbraw/zinc/79/25/43/654792543.db2.gz KHWOGYPRMVTMEA-CQSZACIVSA-N 1 2 396.232 2.109 20 0 GEADLO O=C(Cc1c[nH]c2cccc(Br)c12)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913449662 654792596 /nfs/dbraw/zinc/79/25/96/654792596.db2.gz MNTKCSFMZZTVJK-OAHLLOKOSA-N 1 2 388.269 2.369 20 0 GEADLO O=C(N1CC[NH2+][C@H](c2cn[nH]c2)C1)C1(c2ccccc2Br)CC1 ZINC000913450753 654792770 /nfs/dbraw/zinc/79/27/70/654792770.db2.gz FLZBDRQXSHNBBS-HNNXBMFYSA-N 1 2 375.270 2.377 20 0 GEADLO Cc1c(F)c(Br)ccc1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913456306 654793110 /nfs/dbraw/zinc/79/31/10/654793110.db2.gz IRMJTVQQKIGYGR-CQSZACIVSA-N 1 2 381.249 2.417 20 0 GEADLO CO[C@@H](C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)c1ccccc1Br ZINC000913458744 654793311 /nfs/dbraw/zinc/79/33/11/654793311.db2.gz UJNSGNHHVQBHKZ-LSDHHAIUSA-N 1 2 379.258 2.033 20 0 GEADLO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913458502 654793338 /nfs/dbraw/zinc/79/33/38/654793338.db2.gz OZPVMQUECGANHH-ZFWWWQNUSA-N 1 2 391.269 2.211 20 0 GEADLO Cc1ccc(CC(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)c(Br)c1 ZINC000913459521 654793463 /nfs/dbraw/zinc/79/34/63/654793463.db2.gz DDOMVWSGWQQCSN-MRXNPFEDSA-N 1 2 377.286 2.207 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)CCc3cccc(F)c3Br)CC[NH2+]2)cn1 ZINC000913459526 654793828 /nfs/dbraw/zinc/79/38/28/654793828.db2.gz DJNSUBJARSPAPX-HNNXBMFYSA-N 1 2 395.276 2.427 20 0 GEADLO Cc1c(Br)cccc1CC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913463095 654794065 /nfs/dbraw/zinc/79/40/65/654794065.db2.gz RFHRBQYEBFINSV-INIZCTEOSA-N 1 2 377.286 2.207 20 0 GEADLO COc1cc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)sc1Br ZINC000913464402 654794253 /nfs/dbraw/zinc/79/42/53/654794253.db2.gz SNRCDHPDBUUDAC-SNVBAGLBSA-N 1 2 385.287 2.039 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)CCc3cc(Br)cs3)CC[NH2+]2)cn1 ZINC000913469080 654794342 /nfs/dbraw/zinc/79/43/42/654794342.db2.gz NYDNSGSDQVVNDR-AWEZNQCLSA-N 1 2 383.315 2.350 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)Cc3ccc(F)c(Br)c3)CC[NH2+]2)cn1 ZINC000913468277 654794347 /nfs/dbraw/zinc/79/43/47/654794347.db2.gz NJCYBBHOQBREQA-HNNXBMFYSA-N 1 2 381.249 2.037 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3[nH]c4ccccc4c3Br)CC[NH2+]2)cn1 ZINC000913470357 654794533 /nfs/dbraw/zinc/79/45/33/654794533.db2.gz YWPIUYHQSBTORN-AWEZNQCLSA-N 1 2 388.269 2.451 20 0 GEADLO COc1cccc([C@@H]2CN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC[NH2+]2)c1 ZINC000913480660 654795131 /nfs/dbraw/zinc/79/51/31/654795131.db2.gz NFDJFSZSGSFQSB-QWHCGFSZSA-N 1 2 381.687 2.289 20 0 GEADLO C[N@@H+]1CCN(C(=O)COc2ccc(C3SCCCS3)cc2)C[C@@H]1CO ZINC000913554911 654797576 /nfs/dbraw/zinc/79/75/76/654797576.db2.gz PKZCACLQVWHPAW-OAHLLOKOSA-N 1 2 382.551 2.069 20 0 GEADLO C[N@H+]1CCN(C(=O)COc2ccc(C3SCCCS3)cc2)C[C@@H]1CO ZINC000913554911 654797581 /nfs/dbraw/zinc/79/75/81/654797581.db2.gz PKZCACLQVWHPAW-OAHLLOKOSA-N 1 2 382.551 2.069 20 0 GEADLO CCOc1ccc([C@]2(C(=O)N3CC[N@H+](C)[C@H](CO)C3)CC2(Cl)Cl)cc1 ZINC000913555975 654797590 /nfs/dbraw/zinc/79/75/90/654797590.db2.gz OUIMTPHYNGWDCA-YOEHRIQHSA-N 1 2 387.307 2.036 20 0 GEADLO CCOc1ccc([C@]2(C(=O)N3CC[N@@H+](C)[C@H](CO)C3)CC2(Cl)Cl)cc1 ZINC000913555975 654797594 /nfs/dbraw/zinc/79/75/94/654797594.db2.gz OUIMTPHYNGWDCA-YOEHRIQHSA-N 1 2 387.307 2.036 20 0 GEADLO Cn1cc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)c(C(F)F)n1 ZINC000933090204 654801718 /nfs/dbraw/zinc/80/17/18/654801718.db2.gz VHOFQNWQHLFTQP-UHFFFAOYSA-N 1 2 376.473 2.138 20 0 GEADLO CC(C)(C)n1cc(C[N@@H+]2CCn3ncc(I)c3C2)cn1 ZINC000933110800 654802068 /nfs/dbraw/zinc/80/20/68/654802068.db2.gz UTCPRUOGNRNTMN-UHFFFAOYSA-N 1 2 385.253 2.455 20 0 GEADLO CC(C)(C)n1cc(C[N@H+]2CCn3ncc(I)c3C2)cn1 ZINC000933110800 654802069 /nfs/dbraw/zinc/80/20/69/654802069.db2.gz UTCPRUOGNRNTMN-UHFFFAOYSA-N 1 2 385.253 2.455 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](CCCS(=O)(=O)C(C)(C)C)[C@H]([C@H]2CCCO2)C1 ZINC000933187993 654804349 /nfs/dbraw/zinc/80/43/49/654804349.db2.gz JDUPQCWWQCCIBD-OWCLPIDISA-N 1 2 375.531 2.022 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)[C@H]([C@H]2CCCO2)C1 ZINC000933187993 654804354 /nfs/dbraw/zinc/80/43/54/654804354.db2.gz JDUPQCWWQCCIBD-OWCLPIDISA-N 1 2 375.531 2.022 20 0 GEADLO O=C(C[C@H](O)C(Cl)(Cl)Cl)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000913714217 654806179 /nfs/dbraw/zinc/80/61/79/654806179.db2.gz OUXYNRLQZDYXQU-NSHDSACASA-N 1 2 398.743 2.372 20 0 GEADLO Cn1ncc(Br)c1CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000913817544 654810763 /nfs/dbraw/zinc/81/07/63/654810763.db2.gz UTEHMSUUIZQUPM-AWEZNQCLSA-N 1 2 381.249 2.037 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)Cc1ccc(F)cc1Br ZINC000913927039 654816404 /nfs/dbraw/zinc/81/64/04/654816404.db2.gz SKORLPSZEZDUSA-JTQLQIEISA-N 1 2 376.251 2.293 20 0 GEADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933701210 654820887 /nfs/dbraw/zinc/82/08/87/654820887.db2.gz WHPOIIMXISETFX-MXWKQRLJSA-N 1 2 394.324 2.177 20 0 GEADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933701210 654820891 /nfs/dbraw/zinc/82/08/91/654820891.db2.gz WHPOIIMXISETFX-MXWKQRLJSA-N 1 2 394.324 2.177 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(Br)[nH]c2=O)CC1 ZINC000933707919 654820983 /nfs/dbraw/zinc/82/09/83/654820983.db2.gz BCLYLNLOFCLTPS-UHFFFAOYSA-N 1 2 378.217 2.351 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(Br)[nH]c2=O)CC1 ZINC000933707919 654820985 /nfs/dbraw/zinc/82/09/85/654820985.db2.gz BCLYLNLOFCLTPS-UHFFFAOYSA-N 1 2 378.217 2.351 20 0 GEADLO C[C@H](CNS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000914056357 654823670 /nfs/dbraw/zinc/82/36/70/654823670.db2.gz FIIAWFIBZBUCDJ-JNDILOIQSA-N 1 2 399.460 2.350 20 0 GEADLO C[C@H](CNS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F)[N@@H+](C)C1CC1 ZINC000914056357 654823672 /nfs/dbraw/zinc/82/36/72/654823672.db2.gz FIIAWFIBZBUCDJ-JNDILOIQSA-N 1 2 399.460 2.350 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CCCS(=O)(=O)C[C@H]1C)c1ccsc1 ZINC000914065699 654824469 /nfs/dbraw/zinc/82/44/69/654824469.db2.gz CIYOKURWKYWUIK-ZBFHGGJFSA-N 1 2 387.571 2.350 20 0 GEADLO C[C@@H](CNC(=O)N1CCC[C@@H]1c1cncc(Br)c1)[NH+]1CCOCC1 ZINC000914067187 654824653 /nfs/dbraw/zinc/82/46/53/654824653.db2.gz MOFRFSWOZCEBCL-XJKSGUPXSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000914082532 654825268 /nfs/dbraw/zinc/82/52/68/654825268.db2.gz GVKJTRVFLWBAEG-BBRMVZONSA-N 1 2 397.317 2.411 20 0 GEADLO COC(=O)C1([C@]2(O)CCC[N@H+](Cc3ccc(Br)nc3N)C2)CCC1 ZINC000933836858 654828171 /nfs/dbraw/zinc/82/81/71/654828171.db2.gz XKRNKUBUOZKTTD-KRWDZBQOSA-N 1 2 398.301 2.097 20 0 GEADLO COC(=O)C1([C@]2(O)CCC[N@@H+](Cc3ccc(Br)nc3N)C2)CCC1 ZINC000933836858 654828174 /nfs/dbraw/zinc/82/81/74/654828174.db2.gz XKRNKUBUOZKTTD-KRWDZBQOSA-N 1 2 398.301 2.097 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C1OCCO1)c1ccc(Br)cc1 ZINC000933909017 654829607 /nfs/dbraw/zinc/82/96/07/654829607.db2.gz YOAGNONAQUOALI-DOMZBBRYSA-N 1 2 383.286 2.464 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C1OCCO1)c1ccc(Br)cc1 ZINC000933909017 654829610 /nfs/dbraw/zinc/82/96/10/654829610.db2.gz YOAGNONAQUOALI-DOMZBBRYSA-N 1 2 383.286 2.464 20 0 GEADLO O=C(N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000914172940 654832064 /nfs/dbraw/zinc/83/20/64/654832064.db2.gz YHRCJQVAWVZJJY-NJAPINKUSA-N 1 2 390.281 2.374 20 0 GEADLO C[C@H]1C[C@H](NS(=O)(=O)c2c(O)cccc2OC(F)(F)F)C[N@@H+]1C1CC1 ZINC000914237283 654837759 /nfs/dbraw/zinc/83/77/59/654837759.db2.gz RWINTJJCHISDOR-UWVGGRQHSA-N 1 2 380.388 2.194 20 0 GEADLO C[C@H]1C[C@H](NS(=O)(=O)c2c(O)cccc2OC(F)(F)F)C[N@H+]1C1CC1 ZINC000914237283 654837760 /nfs/dbraw/zinc/83/77/60/654837760.db2.gz RWINTJJCHISDOR-UWVGGRQHSA-N 1 2 380.388 2.194 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1c(Br)cnn1C1CC1 ZINC000934371979 654847347 /nfs/dbraw/zinc/84/73/47/654847347.db2.gz QFZNNWIRTOMDEO-WCQYABFASA-N 1 2 398.305 2.307 20 0 GEADLO CC(C)[N@H+](C)CCNS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914407389 654851790 /nfs/dbraw/zinc/85/17/90/654851790.db2.gz JMCUUBAWSDLQOG-QHCPKHFHSA-N 1 2 387.449 2.208 20 0 GEADLO CC(C)[N@@H+](C)CCNS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914407389 654851793 /nfs/dbraw/zinc/85/17/93/654851793.db2.gz JMCUUBAWSDLQOG-QHCPKHFHSA-N 1 2 387.449 2.208 20 0 GEADLO O=C(Nc1cc(F)ccc1Br)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000934561381 654853174 /nfs/dbraw/zinc/85/31/74/654853174.db2.gz KCQCGEQCZWQKSD-DOMZBBRYSA-N 1 2 387.249 2.407 20 0 GEADLO O=C(c1cc(F)cc(Br)c1F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000934589023 654853863 /nfs/dbraw/zinc/85/38/63/654853863.db2.gz QFIIECVXHFSCOB-LLVKDONJSA-N 1 2 375.213 2.274 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)c1cn(-c2ccccc2Br)nn1 ZINC000914708516 654856680 /nfs/dbraw/zinc/85/66/80/654856680.db2.gz DZADTTIJTFZUEI-UHFFFAOYSA-N 1 2 375.230 2.046 20 0 GEADLO Cc1cccc([C@@H](O)C[N@@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c1 ZINC000934781109 654859289 /nfs/dbraw/zinc/85/92/89/654859289.db2.gz OVOSMTPYFDBUQO-ARFHVFGLSA-N 1 2 377.428 2.470 20 0 GEADLO Cc1cccc([C@@H](O)C[N@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c1 ZINC000934781109 654859291 /nfs/dbraw/zinc/85/92/91/654859291.db2.gz OVOSMTPYFDBUQO-ARFHVFGLSA-N 1 2 377.428 2.470 20 0 GEADLO O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@H+](C[C@H](O)c3ccc(F)cc3)C[C@H]21 ZINC000934788163 654860097 /nfs/dbraw/zinc/86/00/97/654860097.db2.gz MUNFWHMUPSHNPM-RRFJBIMHSA-N 1 2 381.391 2.301 20 0 GEADLO O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@@H+](C[C@H](O)c3ccc(F)cc3)C[C@H]21 ZINC000934788163 654860098 /nfs/dbraw/zinc/86/00/98/654860098.db2.gz MUNFWHMUPSHNPM-RRFJBIMHSA-N 1 2 381.391 2.301 20 0 GEADLO CCOC(C[NH2+][C@H](CO)c1ccccc1I)OCC ZINC000934829102 654862498 /nfs/dbraw/zinc/86/24/98/654862498.db2.gz XMPLNNUDNMMKMZ-CYBMUJFWSA-N 1 2 379.238 2.313 20 0 GEADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](CO)c1ccccc1I ZINC000934829352 654862876 /nfs/dbraw/zinc/86/28/76/654862876.db2.gz MTAQUOPEAWLKAL-COPLHBTASA-N 1 2 390.265 2.217 20 0 GEADLO CCc1ccc(Br)cc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000935107754 654876157 /nfs/dbraw/zinc/87/61/57/654876157.db2.gz PUQDAASZFZZAOV-AWEZNQCLSA-N 1 2 380.242 2.249 20 0 GEADLO CCc1ccc(Br)cc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000935107754 654876160 /nfs/dbraw/zinc/87/61/60/654876160.db2.gz PUQDAASZFZZAOV-AWEZNQCLSA-N 1 2 380.242 2.249 20 0 GEADLO Cc1cc(Br)c(O)c(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC000935271713 654884995 /nfs/dbraw/zinc/88/49/95/654884995.db2.gz XZCABRIZYJBFSJ-DOMZBBRYSA-N 1 2 399.285 2.281 20 0 GEADLO Cc1ccc(Br)c(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)n1 ZINC000935385875 654890759 /nfs/dbraw/zinc/89/07/59/654890759.db2.gz FSIYPHCXDGGQRN-UHFFFAOYSA-N 1 2 376.258 2.213 20 0 GEADLO C[C@](O)(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(Br)c1 ZINC000935485770 654896332 /nfs/dbraw/zinc/89/63/32/654896332.db2.gz DPQWCFMHSJUIAK-BDJLRTHQSA-N 1 2 382.233 2.123 20 0 GEADLO Cc1ccc(Br)cc1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935557129 654899974 /nfs/dbraw/zinc/89/99/74/654899974.db2.gz CQZIKPKODZKONP-SJORKVTESA-N 1 2 397.313 2.254 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)c2nccnc2c1 ZINC000935712923 654912074 /nfs/dbraw/zinc/91/20/74/654912074.db2.gz MNNMGXQUBQLLNW-GFCCVEGCSA-N 1 2 393.285 2.185 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2nc(Br)c3ccccn32)C[C@H](C)O1 ZINC000935711730 654912114 /nfs/dbraw/zinc/91/21/14/654912114.db2.gz JYNHUQDUZDFFIW-BETUJISGSA-N 1 2 395.301 2.278 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2nc(Br)c3ccccn32)C[C@H](C)O1 ZINC000935711730 654912117 /nfs/dbraw/zinc/91/21/17/654912117.db2.gz JYNHUQDUZDFFIW-BETUJISGSA-N 1 2 395.301 2.278 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C)c4ccccc4n3)CC2)C1=O ZINC001164634732 719273174 /nfs/dbraw/zinc/27/31/74/719273174.db2.gz NBBVRCGCLMTERV-UHFFFAOYSA-N 1 2 382.508 2.303 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C)c4ccccc4n3)CC2)C1=O ZINC001164634732 719273177 /nfs/dbraw/zinc/27/31/77/719273177.db2.gz NBBVRCGCLMTERV-UHFFFAOYSA-N 1 2 382.508 2.303 20 0 GEADLO NC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673883 719499538 /nfs/dbraw/zinc/49/95/38/719499538.db2.gz TYZUNHRZRZAOGJ-UHFFFAOYSA-N 1 2 384.455 2.191 20 0 GEADLO NC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673883 719499546 /nfs/dbraw/zinc/49/95/46/719499546.db2.gz TYZUNHRZRZAOGJ-UHFFFAOYSA-N 1 2 384.455 2.191 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(C)C)nc(C)n1 ZINC001164699870 719841528 /nfs/dbraw/zinc/84/15/28/719841528.db2.gz IOBFFNCUFQTCQK-OXJNMPFZSA-N 1 2 376.501 2.141 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ccoc21 ZINC001164698079 719843324 /nfs/dbraw/zinc/84/33/24/719843324.db2.gz FCNSISCFWAXRQY-XIKOKIGWSA-N 1 2 394.859 2.109 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(C(C)(C)C)n1 ZINC001164698335 719850742 /nfs/dbraw/zinc/85/07/42/719850742.db2.gz BLXUIFHBXACXAM-FOIQADDNSA-N 1 2 376.501 2.007 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2cc(OC)ccc2cn1 ZINC001164705107 719862716 /nfs/dbraw/zinc/86/27/16/719862716.db2.gz SUTNJFRHCUONNR-PGRDOPGGSA-N 1 2 399.491 2.476 20 0 GEADLO FC(F)(Oc1ccc(Cl)nc1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164832077 720398258 /nfs/dbraw/zinc/39/82/58/720398258.db2.gz YZEMRAONVNVQQJ-UHFFFAOYSA-N 1 2 395.801 2.406 20 0 GEADLO CSc1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914472 721794949 /nfs/dbraw/zinc/79/49/49/721794949.db2.gz NRZCSYZIUXABGD-FQEVSTJZSA-N 1 2 386.521 2.306 20 0 GEADLO CSc1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914472 721794953 /nfs/dbraw/zinc/79/49/53/721794953.db2.gz NRZCSYZIUXABGD-FQEVSTJZSA-N 1 2 386.521 2.306 20 0 GEADLO CCOc1c(Cl)ncnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917473 721816076 /nfs/dbraw/zinc/81/60/76/721816076.db2.gz PHVBBKYWJJWWBD-UHFFFAOYSA-N 1 2 376.892 2.475 20 0 GEADLO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001165035599 721903431 /nfs/dbraw/zinc/90/34/31/721903431.db2.gz CNTJRGMOLCIHLV-LBPRGKRZSA-N 1 2 375.851 2.042 20 0 GEADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165038012 721908444 /nfs/dbraw/zinc/90/84/44/721908444.db2.gz ISHZFUQPGSUZBT-LBPRGKRZSA-N 1 2 389.830 2.368 20 0 GEADLO Nc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164946957 721974489 /nfs/dbraw/zinc/97/44/89/721974489.db2.gz MLYYBEWCIAKUTG-UHFFFAOYSA-N 1 2 385.899 2.288 20 0 GEADLO Nc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164946957 721974492 /nfs/dbraw/zinc/97/44/92/721974492.db2.gz MLYYBEWCIAKUTG-UHFFFAOYSA-N 1 2 385.899 2.288 20 0 GEADLO Cc1nc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c(C)c(C)[nH+]1 ZINC001165007054 722269254 /nfs/dbraw/zinc/26/92/54/722269254.db2.gz UGRLKTUSDICKFJ-OAQYLSRUSA-N 1 2 383.471 2.468 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1cncc(Br)c1 ZINC000526063595 531305245 /nfs/dbraw/zinc/30/52/45/531305245.db2.gz XWTYTHBOWFACPQ-UHFFFAOYSA-N 1 2 395.261 2.017 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC000488401925 531485888 /nfs/dbraw/zinc/48/58/88/531485888.db2.gz VXHQDEXDKWNUBG-UHFFFAOYSA-N 1 2 379.262 2.368 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488401925 531485894 /nfs/dbraw/zinc/48/58/94/531485894.db2.gz VXHQDEXDKWNUBG-UHFFFAOYSA-N 1 2 379.262 2.368 20 0 GEADLO CCC[N@H+](CC(=O)N(C)Cc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000151421816 531500073 /nfs/dbraw/zinc/50/00/73/531500073.db2.gz CPDBNRBHQAHVCF-MRXNPFEDSA-N 1 2 384.567 2.266 20 0 GEADLO CCC[N@@H+](CC(=O)N(C)Cc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000151421816 531500084 /nfs/dbraw/zinc/50/00/84/531500084.db2.gz CPDBNRBHQAHVCF-MRXNPFEDSA-N 1 2 384.567 2.266 20 0 GEADLO O=C(CSc1cc(Cl)ccc1Cl)N(CCO)CC[NH+]1CCOCC1 ZINC000152359889 531545522 /nfs/dbraw/zinc/54/55/22/531545522.db2.gz XBYYQZMNUGUGJH-UHFFFAOYSA-N 1 2 393.336 2.239 20 0 GEADLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1I ZINC000152777237 531569246 /nfs/dbraw/zinc/56/92/46/531569246.db2.gz LFIZRXYDPDCPFU-NEPJUHHUSA-N 1 2 388.249 2.465 20 0 GEADLO C[C@@H](O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1I ZINC000152777237 531569255 /nfs/dbraw/zinc/56/92/55/531569255.db2.gz LFIZRXYDPDCPFU-NEPJUHHUSA-N 1 2 388.249 2.465 20 0 GEADLO OCC[N@H+](CCN1CCOCC1)Cc1ccc(Cl)cc1Br ZINC000152982998 531581338 /nfs/dbraw/zinc/58/13/38/531581338.db2.gz JVQAFXSBBINSTG-UHFFFAOYSA-N 1 2 377.710 2.229 20 0 GEADLO OCC[N@@H+](CCN1CCOCC1)Cc1ccc(Cl)cc1Br ZINC000152982998 531581342 /nfs/dbraw/zinc/58/13/42/531581342.db2.gz JVQAFXSBBINSTG-UHFFFAOYSA-N 1 2 377.710 2.229 20 0 GEADLO OCCN(CC[NH+]1CCOCC1)Cc1ccc(Cl)cc1Br ZINC000152982998 531581350 /nfs/dbraw/zinc/58/13/50/531581350.db2.gz JVQAFXSBBINSTG-UHFFFAOYSA-N 1 2 377.710 2.229 20 0 GEADLO Cn1ncc2c1nc[nH+]c2SCC(=O)Nc1ccc(Br)cn1 ZINC000021755002 531590794 /nfs/dbraw/zinc/59/07/94/531590794.db2.gz KSUGURAPHLBSGG-UHFFFAOYSA-N 1 2 379.243 2.252 20 0 GEADLO O=C(C[NH+](CCO)CCO)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000153713702 531606661 /nfs/dbraw/zinc/60/66/61/531606661.db2.gz ZGWCMLGLHJSXFM-UHFFFAOYSA-N 1 2 390.292 2.342 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(Br)c2)C1 ZINC000026958332 531620661 /nfs/dbraw/zinc/62/06/61/531620661.db2.gz NSLXECAEFCKJFF-AWEZNQCLSA-N 1 2 391.331 2.084 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(Br)c2)C1 ZINC000026958332 531620668 /nfs/dbraw/zinc/62/06/68/531620668.db2.gz NSLXECAEFCKJFF-AWEZNQCLSA-N 1 2 391.331 2.084 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000027204429 531623413 /nfs/dbraw/zinc/62/34/13/531623413.db2.gz GTJARQDSWRZKOX-GFCCVEGCSA-N 1 2 387.311 2.026 20 0 GEADLO CC(C)(CNC(=O)CSc1ccc(C(F)(F)F)cn1)[NH+]1CCOCC1 ZINC000030027651 531633733 /nfs/dbraw/zinc/63/37/33/531633733.db2.gz QZIABVNDQJJUAP-UHFFFAOYSA-N 1 2 377.432 2.420 20 0 GEADLO CC1CCN(C(=O)C[NH+]2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC000030199669 531633894 /nfs/dbraw/zinc/63/38/94/531633894.db2.gz CXMJSOSQFSIVFJ-UHFFFAOYSA-N 1 2 381.318 2.225 20 0 GEADLO O=C(NCCn1cc[nH+]c1)Nc1cc(Br)cnc1-n1cccn1 ZINC000154986127 531647869 /nfs/dbraw/zinc/64/78/69/531647869.db2.gz TXAPLDLKILOQBD-UHFFFAOYSA-N 1 2 376.218 2.048 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000154926091 531643654 /nfs/dbraw/zinc/64/36/54/531643654.db2.gz ICEPSMFQTNKDOW-AWEZNQCLSA-N 1 2 394.313 2.218 20 0 GEADLO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2F)c[nH+]1 ZINC000041637643 531667448 /nfs/dbraw/zinc/66/74/48/531667448.db2.gz HQRUSZHZIIRKOP-UHFFFAOYSA-N 1 2 395.232 2.304 20 0 GEADLO C[C@@H](CNC(=O)Nc1cccc(I)c1)[NH+]1CCOCC1 ZINC000043317307 531680862 /nfs/dbraw/zinc/68/08/62/531680862.db2.gz LVUOKOFCFWAZMW-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO CC(=O)Nc1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000044790288 531688045 /nfs/dbraw/zinc/68/80/45/531688045.db2.gz MHIFDRNOMVTDJF-UHFFFAOYSA-N 1 2 378.841 2.425 20 0 GEADLO CCCCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](CC)CC2)ccc1Cl ZINC000044817993 531688216 /nfs/dbraw/zinc/68/82/16/531688216.db2.gz QDBRCKDCOBXDRD-UHFFFAOYSA-N 1 2 387.933 2.196 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000155888071 531705341 /nfs/dbraw/zinc/70/53/41/531705341.db2.gz HGZPZURMWAWOJP-LLVKDONJSA-N 1 2 397.722 2.105 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000155888071 531705348 /nfs/dbraw/zinc/70/53/48/531705348.db2.gz HGZPZURMWAWOJP-LLVKDONJSA-N 1 2 397.722 2.105 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000156292573 531727925 /nfs/dbraw/zinc/72/79/25/531727925.db2.gz NYPWWFGBVDEECW-CABZTGNLSA-N 1 2 386.823 2.356 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000156292573 531727931 /nfs/dbraw/zinc/72/79/31/531727931.db2.gz NYPWWFGBVDEECW-CABZTGNLSA-N 1 2 386.823 2.356 20 0 GEADLO O=C(Cc1ccc(Br)c(F)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000156996313 531730084 /nfs/dbraw/zinc/73/00/84/531730084.db2.gz ALTGFHFHNHTMRQ-AWEZNQCLSA-N 1 2 385.277 2.454 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000053217656 531758901 /nfs/dbraw/zinc/75/89/01/531758901.db2.gz RBWRPQKKMAJPNN-HNNXBMFYSA-N 1 2 387.933 2.381 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000053217656 531758904 /nfs/dbraw/zinc/75/89/04/531758904.db2.gz RBWRPQKKMAJPNN-HNNXBMFYSA-N 1 2 387.933 2.381 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)cc(Br)c2)CC1 ZINC000158002920 531762639 /nfs/dbraw/zinc/76/26/39/531762639.db2.gz AZRCYWIFMGQYAI-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)cc(Br)c2)CC1 ZINC000158002920 531762645 /nfs/dbraw/zinc/76/26/45/531762645.db2.gz AZRCYWIFMGQYAI-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO CC(C)(CNC(=O)NCC[NH+]1CCOCC1)c1ccccc1Br ZINC000158054122 531765135 /nfs/dbraw/zinc/76/51/35/531765135.db2.gz TYJILRIGYBGBOV-UHFFFAOYSA-N 1 2 384.318 2.358 20 0 GEADLO COC(=O)c1sc(NC[C@]2([NH+]3CCOCC3)CCSC2)nc1Cl ZINC000053560847 531765543 /nfs/dbraw/zinc/76/55/43/531765543.db2.gz ARIBDHQVRNPUKK-CQSZACIVSA-N 1 2 377.919 2.203 20 0 GEADLO COc1ccccc1[C@H](CNC(=O)c1csc(S(C)(=O)=O)c1)[NH+](C)C ZINC000158118577 531766291 /nfs/dbraw/zinc/76/62/91/531766291.db2.gz VIZVOJDKNDLYOT-AWEZNQCLSA-N 1 2 382.507 2.193 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000055269070 531786379 /nfs/dbraw/zinc/78/63/79/531786379.db2.gz BLGLFDOQUWQEQE-UHFFFAOYSA-N 1 2 389.315 2.174 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)c1cc(F)ccc1F)[NH+]1CCOCC1 ZINC000058723920 531834976 /nfs/dbraw/zinc/83/49/76/531834976.db2.gz ZUPQSYJQBNCNLR-MRXNPFEDSA-N 1 2 376.469 2.380 20 0 GEADLO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604635 531854570 /nfs/dbraw/zinc/85/45/70/531854570.db2.gz YELFTRZUQCYOBL-UHFFFAOYSA-N 1 2 376.400 2.290 20 0 GEADLO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[N@H+](C2CC2)CC1 ZINC000061604635 531854581 /nfs/dbraw/zinc/85/45/81/531854581.db2.gz YELFTRZUQCYOBL-UHFFFAOYSA-N 1 2 376.400 2.290 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000162660724 531846039 /nfs/dbraw/zinc/84/60/39/531846039.db2.gz XLBCOTFOXZLQOL-UHFFFAOYSA-N 1 2 387.221 2.404 20 0 GEADLO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CCn2cccn2)CC1 ZINC000062153670 531856603 /nfs/dbraw/zinc/85/66/03/531856603.db2.gz WRNJMRUZXAVLMD-UHFFFAOYSA-N 1 2 383.279 2.413 20 0 GEADLO O=C(Nc1cccc(Cl)c1Cl)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000163733312 531862622 /nfs/dbraw/zinc/86/26/22/531862622.db2.gz DNRINOUHGSCKMR-LBPRGKRZSA-N 1 2 386.279 2.255 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@H]1CCc2n[nH]cc2C1 ZINC000163851805 531864551 /nfs/dbraw/zinc/86/45/51/531864551.db2.gz HFMHYNFMGXWZFX-LBPRGKRZSA-N 1 2 389.257 2.177 20 0 GEADLO Cc1ccc2c(c1Br)[C@]1(NC(=[NH2+])Nc3nc4ccccc4n31)C(=O)N2 ZINC000164963413 531870769 /nfs/dbraw/zinc/87/07/69/531870769.db2.gz ASOQDFTUYXEUBR-QGZVFWFLSA-N 1 2 397.236 2.310 20 0 GEADLO COC(=O)CCCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000167925695 531881391 /nfs/dbraw/zinc/88/13/91/531881391.db2.gz ADMTWSSOAOMIOZ-HOCLYGCPSA-N 1 2 392.880 2.097 20 0 GEADLO COC(=O)CCCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000167925695 531881398 /nfs/dbraw/zinc/88/13/98/531881398.db2.gz ADMTWSSOAOMIOZ-HOCLYGCPSA-N 1 2 392.880 2.097 20 0 GEADLO CCOC(=O)CCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167924139 531881547 /nfs/dbraw/zinc/88/15/47/531881547.db2.gz YXEKLOLPKOPFFJ-GOEBONIOSA-N 1 2 392.880 2.097 20 0 GEADLO CCOC(=O)CCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167924139 531881553 /nfs/dbraw/zinc/88/15/53/531881553.db2.gz YXEKLOLPKOPFFJ-GOEBONIOSA-N 1 2 392.880 2.097 20 0 GEADLO CC(C)(Cc1ccc(Br)cc1)NC(=O)NCC[NH+]1CCOCC1 ZINC000067380835 531883823 /nfs/dbraw/zinc/88/38/23/531883823.db2.gz KQTBRSBGMDWKCD-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO Brc1cc2c(cc1C[NH+]1CCN(c3cccnn3)CC1)OCO2 ZINC000170649982 531885883 /nfs/dbraw/zinc/88/58/83/531885883.db2.gz SLPKAZUQXABPED-UHFFFAOYSA-N 1 2 377.242 2.290 20 0 GEADLO CC(C)(CNS(=O)(=O)Cc1ccccc1C(F)(F)F)[NH+]1CCOCC1 ZINC000170690560 531888626 /nfs/dbraw/zinc/88/86/26/531888626.db2.gz QGWJVBHWGDPNPN-UHFFFAOYSA-N 1 2 380.432 2.236 20 0 GEADLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cncc(Br)c2)CC1 ZINC000171684026 531912331 /nfs/dbraw/zinc/91/23/31/531912331.db2.gz DHTLGTYYRJFBFH-CQSZACIVSA-N 1 2 395.345 2.409 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069868669 531913201 /nfs/dbraw/zinc/91/32/01/531913201.db2.gz JMKVHNLDVTUTTA-ZDUSSCGKSA-N 1 2 376.881 2.212 20 0 GEADLO CCc1cc(NCc2ccc(S(N)(=O)=O)s2)nc(-c2ccncc2)[nH+]1 ZINC000171944591 531924527 /nfs/dbraw/zinc/92/45/27/531924527.db2.gz BXURPYLZPAUYCS-UHFFFAOYSA-N 1 2 375.479 2.422 20 0 GEADLO Cc1cccn2cc(CNC(=O)c3cnn4cc(Br)cnc34)[nH+]c12 ZINC000094125143 531931056 /nfs/dbraw/zinc/93/10/56/531931056.db2.gz LTIGLVFFLZJREA-UHFFFAOYSA-N 1 2 385.225 2.378 20 0 GEADLO O=C(c1ccc(Br)cc1O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000094128846 531932057 /nfs/dbraw/zinc/93/20/57/531932057.db2.gz PYSHTQLEPWZKJY-CQSZACIVSA-N 1 2 383.286 2.482 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cn1 ZINC000171971798 531928003 /nfs/dbraw/zinc/92/80/03/531928003.db2.gz IKTPBPIOQAWQJI-AWEZNQCLSA-N 1 2 376.320 2.138 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cn1 ZINC000171971798 531928007 /nfs/dbraw/zinc/92/80/07/531928007.db2.gz IKTPBPIOQAWQJI-AWEZNQCLSA-N 1 2 376.320 2.138 20 0 GEADLO COCCCS(=O)(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000171979467 531928467 /nfs/dbraw/zinc/92/84/67/531928467.db2.gz PZBSXCNPQPQVIM-UHFFFAOYSA-N 1 2 380.432 2.189 20 0 GEADLO C[NH+](C)C(C)(C)CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000119515441 531971736 /nfs/dbraw/zinc/97/17/36/531971736.db2.gz WIJMGAMLSBFANZ-UHFFFAOYSA-N 1 2 382.511 2.014 20 0 GEADLO Cc1cc(NCCNC(=O)Cn2cc(Br)cn2)nc(C(C)C)[nH+]1 ZINC000628826314 531980029 /nfs/dbraw/zinc/98/00/29/531980029.db2.gz HMHIVPMLNDKHMH-UHFFFAOYSA-N 1 2 381.278 2.096 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)o1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120739783 531991472 /nfs/dbraw/zinc/99/14/72/531991472.db2.gz KGJLMKPBVZBXTD-SNVBAGLBSA-N 1 2 381.230 2.249 20 0 GEADLO CCN(C(=O)C[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121011385 532007378 /nfs/dbraw/zinc/00/73/78/532007378.db2.gz XLWIISNPGZJXTR-WMLDXEAASA-N 1 2 386.945 2.238 20 0 GEADLO CCN(C(=O)C[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121011385 532007383 /nfs/dbraw/zinc/00/73/83/532007383.db2.gz XLWIISNPGZJXTR-WMLDXEAASA-N 1 2 386.945 2.238 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1sccc1Br)C2 ZINC000121309598 532022443 /nfs/dbraw/zinc/02/24/43/532022443.db2.gz GUSUXMIMSGERMQ-SECBINFHSA-N 1 2 376.301 2.309 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000173648520 532025135 /nfs/dbraw/zinc/02/51/35/532025135.db2.gz BAQSDFWSKMVMHC-UHFFFAOYSA-N 1 2 399.333 2.093 20 0 GEADLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1c[nH]c(=O)c(Br)c1)C2 ZINC000173695943 532027466 /nfs/dbraw/zinc/02/74/66/532027466.db2.gz SWGSOTHEVISCBT-UHFFFAOYSA-N 1 2 379.258 2.193 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000121429045 532029172 /nfs/dbraw/zinc/02/91/72/532029172.db2.gz HYKJELUUNCZULV-UHFFFAOYSA-N 1 2 376.869 2.377 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1csc(CS(C)(=O)=O)n1 ZINC000173727779 532029749 /nfs/dbraw/zinc/02/97/49/532029749.db2.gz AQKCOXJMZNIFBW-OAHLLOKOSA-N 1 2 379.551 2.394 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1csc(CS(C)(=O)=O)n1 ZINC000173727779 532029753 /nfs/dbraw/zinc/02/97/53/532029753.db2.gz AQKCOXJMZNIFBW-OAHLLOKOSA-N 1 2 379.551 2.394 20 0 GEADLO CC[C@H](CO)N1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000174137975 532052104 /nfs/dbraw/zinc/05/21/04/532052104.db2.gz KTYWXHMLVRAXGR-MRXNPFEDSA-N 1 2 384.318 2.166 20 0 GEADLO Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cnc1Cl ZINC000174328423 532062103 /nfs/dbraw/zinc/06/21/03/532062103.db2.gz GALPAIHEGBCXOF-UHFFFAOYSA-N 1 2 382.873 2.344 20 0 GEADLO CC(C)Cn1cnc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000174971318 532084742 /nfs/dbraw/zinc/08/47/42/532084742.db2.gz KMMRPCMTOLKPSE-CQSZACIVSA-N 1 2 382.555 2.326 20 0 GEADLO CC(C)Cn1cnc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000174971318 532084743 /nfs/dbraw/zinc/08/47/43/532084743.db2.gz KMMRPCMTOLKPSE-CQSZACIVSA-N 1 2 382.555 2.326 20 0 GEADLO Cc1cc(NC(=O)C[NH+]2CCN(c3cnn(C)c3)CC2)ccc1Br ZINC000174943282 532084779 /nfs/dbraw/zinc/08/47/79/532084779.db2.gz ONMGWVCQALPZOG-UHFFFAOYSA-N 1 2 392.301 2.252 20 0 GEADLO O=C(NCCc1ccc(Br)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000175028649 532087836 /nfs/dbraw/zinc/08/78/36/532087836.db2.gz KFNKNYOMGZRMFW-QGZVFWFLSA-N 1 2 396.329 2.498 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000124345101 532118731 /nfs/dbraw/zinc/11/87/31/532118731.db2.gz BLTQPVHYUJWSQZ-HNNXBMFYSA-N 1 2 376.881 2.106 20 0 GEADLO O=C(c1ccc(=O)[nH]n1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000124439615 532122557 /nfs/dbraw/zinc/12/25/57/532122557.db2.gz ZLGBDWOOZCNCMH-UHFFFAOYSA-N 1 2 381.263 2.077 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[S@](=O)Cc2cn3ccccc3[nH+]2)c1 ZINC000176494255 532138940 /nfs/dbraw/zinc/13/89/40/532138940.db2.gz ZPWGZCFCASPCIR-DEOSSOPVSA-N 1 2 377.491 2.034 20 0 GEADLO [NH2+]=C1Nc2nc3ccccc3n2[C@]2(N1)C(=O)Nc1cccc(Br)c12 ZINC000124699876 532127483 /nfs/dbraw/zinc/12/74/83/532127483.db2.gz SCMMBBMUOOOZBR-INIZCTEOSA-N 1 2 383.209 2.001 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000124742433 532128512 /nfs/dbraw/zinc/12/85/12/532128512.db2.gz GLIZKXOSLKVYNZ-LBPRGKRZSA-N 1 2 380.794 2.124 20 0 GEADLO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000125248980 532134196 /nfs/dbraw/zinc/13/41/96/532134196.db2.gz RYZZQXJYLCBLKJ-ZDUSSCGKSA-N 1 2 388.331 2.070 20 0 GEADLO CC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000125248980 532134198 /nfs/dbraw/zinc/13/41/98/532134198.db2.gz RYZZQXJYLCBLKJ-ZDUSSCGKSA-N 1 2 388.331 2.070 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000125477401 532136361 /nfs/dbraw/zinc/13/63/61/532136361.db2.gz XIHZIEXXMVIXNS-FZMZJTMJSA-N 1 2 376.284 2.047 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCc1ccc(Cl)cc1Cl ZINC000176565054 532141497 /nfs/dbraw/zinc/14/14/97/532141497.db2.gz GLUNRAAMANNQKF-HNNXBMFYSA-N 1 2 375.296 2.078 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000126092087 532144855 /nfs/dbraw/zinc/14/48/55/532144855.db2.gz GHCRFMHCAAOOSH-OAHLLOKOSA-N 1 2 383.495 2.119 20 0 GEADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000126196845 532146167 /nfs/dbraw/zinc/14/61/67/532146167.db2.gz YTFIYTMAKNNGBO-FIRCGALFSA-N 1 2 380.432 2.461 20 0 GEADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000126196845 532146172 /nfs/dbraw/zinc/14/61/72/532146172.db2.gz YTFIYTMAKNNGBO-FIRCGALFSA-N 1 2 380.432 2.461 20 0 GEADLO Cc1ccc(NC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C)[nH+]1 ZINC000176735240 532147578 /nfs/dbraw/zinc/14/75/78/532147578.db2.gz TUGJIJQXGBFSMD-UHFFFAOYSA-N 1 2 380.392 2.134 20 0 GEADLO CC(C)C(=O)NCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000128712004 532166490 /nfs/dbraw/zinc/16/64/90/532166490.db2.gz VSJAWWCAIHNVDB-INIZCTEOSA-N 1 2 396.329 2.474 20 0 GEADLO CN(Cc1ccc(Cl)cc1Br)C[C@H](O)C[NH+]1CCOCC1 ZINC000177367429 532169388 /nfs/dbraw/zinc/16/93/88/532169388.db2.gz NDUGXDBGSMGXAK-AWEZNQCLSA-N 1 2 377.710 2.227 20 0 GEADLO C[N@@H+](Cc1ccc(Cl)cc1Br)C[C@H](O)CN1CCOCC1 ZINC000177367429 532169390 /nfs/dbraw/zinc/16/93/90/532169390.db2.gz NDUGXDBGSMGXAK-AWEZNQCLSA-N 1 2 377.710 2.227 20 0 GEADLO C[N@H+](Cc1ccc(Cl)cc1Br)C[C@H](O)CN1CCOCC1 ZINC000177367429 532169393 /nfs/dbraw/zinc/16/93/93/532169393.db2.gz NDUGXDBGSMGXAK-AWEZNQCLSA-N 1 2 377.710 2.227 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)c2ccccc2I)cc[nH+]1 ZINC000127677860 532156023 /nfs/dbraw/zinc/15/60/23/532156023.db2.gz YITUOKSQPNPROJ-UHFFFAOYSA-N 1 2 395.200 2.363 20 0 GEADLO Cc1sc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1CS(C)(=O)=O ZINC000127997532 532160471 /nfs/dbraw/zinc/16/04/71/532160471.db2.gz JBLQDKHGYUKZEB-HNNXBMFYSA-N 1 2 380.491 2.290 20 0 GEADLO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)s1 ZINC000128124216 532161716 /nfs/dbraw/zinc/16/17/16/532161716.db2.gz UIFNFDKPYGJVPQ-MRXNPFEDSA-N 1 2 376.507 2.437 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1)NC(=O)NCC(F)(F)F ZINC000128222115 532162316 /nfs/dbraw/zinc/16/23/16/532162316.db2.gz PJFKIECYXBADDG-SNVBAGLBSA-N 1 2 379.766 2.181 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1)NC(=O)NCC(F)(F)F ZINC000128222115 532162323 /nfs/dbraw/zinc/16/23/23/532162323.db2.gz PJFKIECYXBADDG-SNVBAGLBSA-N 1 2 379.766 2.181 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000177205217 532164308 /nfs/dbraw/zinc/16/43/08/532164308.db2.gz HLEZMGZIBCJYMV-UHFFFAOYSA-N 1 2 388.295 2.421 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000177680047 532178621 /nfs/dbraw/zinc/17/86/21/532178621.db2.gz WVLKCNHGNHKRPS-LBPRGKRZSA-N 1 2 384.293 2.373 20 0 GEADLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177782983 532182882 /nfs/dbraw/zinc/18/28/82/532182882.db2.gz UPWXMYAMGNEHSA-SECBINFHSA-N 1 2 378.420 2.230 20 0 GEADLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177782983 532182884 /nfs/dbraw/zinc/18/28/84/532182884.db2.gz UPWXMYAMGNEHSA-SECBINFHSA-N 1 2 378.420 2.230 20 0 GEADLO COc1ccc(-c2nc(C[NH+]3CCC(CS(N)(=O)=O)CC3)cs2)cc1 ZINC000129821222 532184971 /nfs/dbraw/zinc/18/49/71/532184971.db2.gz KZNMHOLJJHAFBF-UHFFFAOYSA-N 1 2 381.523 2.319 20 0 GEADLO Cc1ncsc1C[N@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000177504107 532173165 /nfs/dbraw/zinc/17/31/65/532173165.db2.gz BYVQJKWKSSNGOF-UHFFFAOYSA-N 1 2 377.861 2.151 20 0 GEADLO Cc1ncsc1C[N@@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000177504107 532173170 /nfs/dbraw/zinc/17/31/70/532173170.db2.gz BYVQJKWKSSNGOF-UHFFFAOYSA-N 1 2 377.861 2.151 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000131304808 532195621 /nfs/dbraw/zinc/19/56/21/532195621.db2.gz ZGTHVKNDSWFQOJ-UHFFFAOYSA-N 1 2 397.273 2.283 20 0 GEADLO Cc1ccc(I)cc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000131512555 532198944 /nfs/dbraw/zinc/19/89/44/532198944.db2.gz RGQIYINDKNIROO-GFCCVEGCSA-N 1 2 388.249 2.050 20 0 GEADLO C[C@H]1CN(c2ccc(CNC(=O)c3ccncc3Br)c[nH+]2)CCO1 ZINC000131636200 532200724 /nfs/dbraw/zinc/20/07/24/532200724.db2.gz CLHTWOMPOVXEME-LBPRGKRZSA-N 1 2 391.269 2.394 20 0 GEADLO Cn1cc(Br)cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1=O ZINC000177970876 532188100 /nfs/dbraw/zinc/18/81/00/532188100.db2.gz JRZHAYBXAQWRMT-UHFFFAOYSA-N 1 2 380.246 2.213 20 0 GEADLO O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178658610 532208787 /nfs/dbraw/zinc/20/87/87/532208787.db2.gz YOSSFCTXFXSIKX-CQSZACIVSA-N 1 2 376.913 2.122 20 0 GEADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000178835839 532213518 /nfs/dbraw/zinc/21/35/18/532213518.db2.gz NXCNCSGARZIZTL-NSHDSACASA-N 1 2 384.274 2.446 20 0 GEADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000178835839 532213522 /nfs/dbraw/zinc/21/35/22/532213522.db2.gz NXCNCSGARZIZTL-NSHDSACASA-N 1 2 384.274 2.446 20 0 GEADLO COC(=O)C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000178440475 532202401 /nfs/dbraw/zinc/20/24/01/532202401.db2.gz UTYAZDXLEROLRJ-CQSZACIVSA-N 1 2 385.258 2.042 20 0 GEADLO COC(=O)C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000178440475 532202405 /nfs/dbraw/zinc/20/24/05/532202405.db2.gz UTYAZDXLEROLRJ-CQSZACIVSA-N 1 2 385.258 2.042 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@H](NS(=O)(=O)c2cccnc2)c2ccc(Cl)cc2)C1 ZINC000133352439 532232933 /nfs/dbraw/zinc/23/29/33/532232933.db2.gz QVUXESVJKHMCFO-IAGOWNOFSA-N 1 2 381.885 2.085 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@H](NS(=O)(=O)c2cccnc2)c2ccc(Cl)cc2)C1 ZINC000133352439 532232939 /nfs/dbraw/zinc/23/29/39/532232939.db2.gz QVUXESVJKHMCFO-IAGOWNOFSA-N 1 2 381.885 2.085 20 0 GEADLO NC(=O)c1cc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)ccn1 ZINC000132781910 532221005 /nfs/dbraw/zinc/22/10/05/532221005.db2.gz MQPBQBOIPPRXMY-UHFFFAOYSA-N 1 2 375.270 2.265 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000179124775 532222632 /nfs/dbraw/zinc/22/26/32/532222632.db2.gz GIWFTFKSGZIIGI-OAHLLOKOSA-N 1 2 378.897 2.255 20 0 GEADLO C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C(=O)NCc1ccccc1 ZINC000179219386 532225737 /nfs/dbraw/zinc/22/57/37/532225737.db2.gz YDVOMFNIKNDHTJ-MLGOLLRUSA-N 1 2 390.281 2.270 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000179681881 532241119 /nfs/dbraw/zinc/24/11/19/532241119.db2.gz WGCBWODDBFXBRN-UHFFFAOYSA-N 1 2 375.281 2.223 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179681881 532241122 /nfs/dbraw/zinc/24/11/22/532241122.db2.gz WGCBWODDBFXBRN-UHFFFAOYSA-N 1 2 375.281 2.223 20 0 GEADLO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000133932684 532245907 /nfs/dbraw/zinc/24/59/07/532245907.db2.gz ZTKPBGCANVQDBS-MRXNPFEDSA-N 1 2 390.281 2.467 20 0 GEADLO CNC(=O)c1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000133932684 532245910 /nfs/dbraw/zinc/24/59/10/532245910.db2.gz ZTKPBGCANVQDBS-MRXNPFEDSA-N 1 2 390.281 2.467 20 0 GEADLO CN(CC(=O)NC1CC1)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000133963257 532247244 /nfs/dbraw/zinc/24/72/44/532247244.db2.gz ZLVSXKGDHVSTRL-QGZVFWFLSA-N 1 2 394.313 2.323 20 0 GEADLO CS(=O)(=O)N1CCC[N@H+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000179905203 532250256 /nfs/dbraw/zinc/25/02/56/532250256.db2.gz BPWZBVLIXJJJBM-UHFFFAOYSA-N 1 2 398.326 2.465 20 0 GEADLO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000179905203 532250261 /nfs/dbraw/zinc/25/02/61/532250261.db2.gz BPWZBVLIXJJJBM-UHFFFAOYSA-N 1 2 398.326 2.465 20 0 GEADLO Cc1sc2ncc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c(=O)n2c1C ZINC000179918175 532251146 /nfs/dbraw/zinc/25/11/46/532251146.db2.gz FDBLXQHBTVAUKM-UHFFFAOYSA-N 1 2 375.479 2.070 20 0 GEADLO Cc1sc2ncc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c(=O)n2c1C ZINC000179918175 532251148 /nfs/dbraw/zinc/25/11/48/532251148.db2.gz FDBLXQHBTVAUKM-UHFFFAOYSA-N 1 2 375.479 2.070 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000134320025 532253644 /nfs/dbraw/zinc/25/36/44/532253644.db2.gz ZGARHFHCYXVZTC-CQSZACIVSA-N 1 2 384.889 2.292 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000134320025 532253647 /nfs/dbraw/zinc/25/36/47/532253647.db2.gz ZGARHFHCYXVZTC-CQSZACIVSA-N 1 2 384.889 2.292 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCc1cc(Cl)cc(Cl)c1 ZINC000133500221 532236448 /nfs/dbraw/zinc/23/64/48/532236448.db2.gz LBAVSHWCYGIAJX-MRXNPFEDSA-N 1 2 375.296 2.078 20 0 GEADLO COCCC[N@H+](Cc1c(C2CC2)nc2sccn12)[C@H]1CCS(=O)(=O)C1 ZINC000179605735 532238241 /nfs/dbraw/zinc/23/82/41/532238241.db2.gz ZZUVTUXMDKHZJN-AWEZNQCLSA-N 1 2 383.539 2.299 20 0 GEADLO COCCC[N@@H+](Cc1c(C2CC2)nc2sccn12)[C@H]1CCS(=O)(=O)C1 ZINC000179605735 532238244 /nfs/dbraw/zinc/23/82/44/532238244.db2.gz ZZUVTUXMDKHZJN-AWEZNQCLSA-N 1 2 383.539 2.299 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c(F)cccc2Br)[C@@H](C)C1 ZINC000180386460 532271025 /nfs/dbraw/zinc/27/10/25/532271025.db2.gz IGPUTVSKLQPMIR-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2c(F)cccc2Br)[C@@H](C)C1 ZINC000180386460 532271029 /nfs/dbraw/zinc/27/10/29/532271029.db2.gz IGPUTVSKLQPMIR-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO C[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H](CO)C(C)(C)C ZINC000134411221 532255997 /nfs/dbraw/zinc/25/59/97/532255997.db2.gz FINLKSSSZYNVKR-CQSZACIVSA-N 1 2 376.906 2.021 20 0 GEADLO C[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H](CO)C(C)(C)C ZINC000134411221 532255999 /nfs/dbraw/zinc/25/59/99/532255999.db2.gz FINLKSSSZYNVKR-CQSZACIVSA-N 1 2 376.906 2.021 20 0 GEADLO Cc1nc(S(=O)(=O)NCCCCn2cc[nH+]c2C)sc1Br ZINC000180084448 532256676 /nfs/dbraw/zinc/25/66/76/532256676.db2.gz HUKRCSWRWPGTSK-UHFFFAOYSA-N 1 2 393.332 2.478 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)sc1Br ZINC000180107333 532257778 /nfs/dbraw/zinc/25/77/78/532257778.db2.gz DQLKSKXTLOGJNN-IONNQARKSA-N 1 2 380.333 2.118 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)sc1Br ZINC000180107333 532257783 /nfs/dbraw/zinc/25/77/83/532257783.db2.gz DQLKSKXTLOGJNN-IONNQARKSA-N 1 2 380.333 2.118 20 0 GEADLO COc1cc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)ccc1Br ZINC000134546284 532258570 /nfs/dbraw/zinc/25/85/70/532258570.db2.gz JTFXXWXNORIASJ-UHFFFAOYSA-N 1 2 388.287 2.365 20 0 GEADLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc(Br)ccc1F ZINC000134540649 532258801 /nfs/dbraw/zinc/25/88/01/532258801.db2.gz LJLRBPVDPUBRDA-UHFFFAOYSA-N 1 2 376.251 2.496 20 0 GEADLO Cc1cccc(S(=O)(=O)NCc2ccc[nH+]c2N2CCOCC2)c1Cl ZINC000180168330 532260060 /nfs/dbraw/zinc/26/00/60/532260060.db2.gz QHPRPLPHVIKNTL-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO C[C@@H](CNC(=O)CCc1cc(Br)ccc1F)[NH+]1CCN(C)CC1 ZINC000134658092 532260580 /nfs/dbraw/zinc/26/05/80/532260580.db2.gz BGOBRTVHTFHJEL-ZDUSSCGKSA-N 1 2 386.309 2.273 20 0 GEADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)CSCC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180751289 532279130 /nfs/dbraw/zinc/27/91/30/532279130.db2.gz PEUKEBPXOORKKS-PBHICJAKSA-N 1 2 387.908 2.338 20 0 GEADLO CC(C)[N@H+]1CC[C@@H](NC(=O)CSCC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180751289 532279136 /nfs/dbraw/zinc/27/91/36/532279136.db2.gz PEUKEBPXOORKKS-PBHICJAKSA-N 1 2 387.908 2.338 20 0 GEADLO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCn2c[nH+]cc2C1 ZINC000135998410 532281677 /nfs/dbraw/zinc/28/16/77/532281677.db2.gz LOBUMNXFIMDYBL-WCQYABFASA-N 1 2 384.263 2.308 20 0 GEADLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)Nc1ccc(Br)cn1 ZINC000140890771 532294607 /nfs/dbraw/zinc/29/46/07/532294607.db2.gz JFXDMLQDUHJOSK-ZDUSSCGKSA-N 1 2 396.207 2.418 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181331624 532295843 /nfs/dbraw/zinc/29/58/43/532295843.db2.gz HMNFAPNVPRZPKU-LBPRGKRZSA-N 1 2 383.208 2.263 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181331624 532295847 /nfs/dbraw/zinc/29/58/47/532295847.db2.gz HMNFAPNVPRZPKU-LBPRGKRZSA-N 1 2 383.208 2.263 20 0 GEADLO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000181383625 532297044 /nfs/dbraw/zinc/29/70/44/532297044.db2.gz SUJWGDYNSXHVFK-OCCSQVGLSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@@H]1CCC[C@@H](CO)[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000181383625 532297048 /nfs/dbraw/zinc/29/70/48/532297048.db2.gz SUJWGDYNSXHVFK-OCCSQVGLSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@H]1CCC[C@@H](CO)[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000181383642 532297461 /nfs/dbraw/zinc/29/74/61/532297461.db2.gz SUJWGDYNSXHVFK-JSGCOSHPSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@H]1CCC[C@@H](CO)[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000181383642 532297465 /nfs/dbraw/zinc/29/74/65/532297465.db2.gz SUJWGDYNSXHVFK-JSGCOSHPSA-N 1 2 376.316 2.458 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c3ccccc23)CC1 ZINC000181523651 532300160 /nfs/dbraw/zinc/30/01/60/532300160.db2.gz JDTGJECAJWHNJC-UHFFFAOYSA-N 1 2 376.254 2.315 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(OC)c(OCC)c2)C1 ZINC000181560471 532301779 /nfs/dbraw/zinc/30/17/79/532301779.db2.gz JYYJBPWASQLUTF-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(OC)c(OCC)c2)C1 ZINC000181560471 532301781 /nfs/dbraw/zinc/30/17/81/532301781.db2.gz JYYJBPWASQLUTF-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO COc1cc(Br)ccc1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000182058942 532308612 /nfs/dbraw/zinc/30/86/12/532308612.db2.gz XYVULRKWQQHFPI-UHFFFAOYSA-N 1 2 396.329 2.198 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000181669307 532304274 /nfs/dbraw/zinc/30/42/74/532304274.db2.gz CIPVUNVTDIWSBH-ZDUSSCGKSA-N 1 2 393.336 2.477 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000181669701 532304555 /nfs/dbraw/zinc/30/45/55/532304555.db2.gz OIPLDOQAPPYSOR-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000181669701 532304558 /nfs/dbraw/zinc/30/45/58/532304558.db2.gz OIPLDOQAPPYSOR-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO CCc1nnc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)[nH]1 ZINC000181751251 532305731 /nfs/dbraw/zinc/30/57/31/532305731.db2.gz ZLSXUGUUFMLEIQ-UHFFFAOYSA-N 1 2 393.289 2.375 20 0 GEADLO O=C(NCCCn1ccnn1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000182958136 532320196 /nfs/dbraw/zinc/32/01/96/532320196.db2.gz ALSOMWNSQAGFQQ-INIZCTEOSA-N 1 2 392.301 2.384 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1 ZINC000185160629 532337083 /nfs/dbraw/zinc/33/70/83/532337083.db2.gz QNOPRRXGNOIGNK-SUMWQHHRSA-N 1 2 383.286 2.118 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1 ZINC000185160629 532337084 /nfs/dbraw/zinc/33/70/84/532337084.db2.gz QNOPRRXGNOIGNK-SUMWQHHRSA-N 1 2 383.286 2.118 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21)c1cccs1 ZINC000185620666 532338198 /nfs/dbraw/zinc/33/81/98/532338198.db2.gz DMQREDZRLIQCDJ-ZIAGYGMSSA-N 1 2 379.507 2.179 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21)c1cccs1 ZINC000185620642 532338204 /nfs/dbraw/zinc/33/82/04/532338204.db2.gz DMQREDZRLIQCDJ-KGLIPLIRSA-N 1 2 379.507 2.179 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)cc1)NCCCNc1cccc[nH+]1 ZINC000185782005 532338696 /nfs/dbraw/zinc/33/86/96/532338696.db2.gz BBFXJNRGPDDPAI-UHFFFAOYSA-N 1 2 391.269 2.192 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185906191 532339064 /nfs/dbraw/zinc/33/90/64/532339064.db2.gz UXOKFDOTXXMOIP-KRWDZBQOSA-N 1 2 382.302 2.137 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185906191 532339065 /nfs/dbraw/zinc/33/90/65/532339065.db2.gz UXOKFDOTXXMOIP-KRWDZBQOSA-N 1 2 382.302 2.137 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186201588 532340037 /nfs/dbraw/zinc/34/00/37/532340037.db2.gz PCPHSBAAEUZWRW-UHFFFAOYSA-N 1 2 379.295 2.276 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186201588 532340038 /nfs/dbraw/zinc/34/00/38/532340038.db2.gz PCPHSBAAEUZWRW-UHFFFAOYSA-N 1 2 379.295 2.276 20 0 GEADLO C[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cc(Cl)ccc1Cl ZINC000186779609 532341850 /nfs/dbraw/zinc/34/18/50/532341850.db2.gz KWNHDKSKJSIIOE-QMMMGPOBSA-N 1 2 382.251 2.118 20 0 GEADLO COc1c(Br)cccc1CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000186862769 532342348 /nfs/dbraw/zinc/34/23/48/532342348.db2.gz KDFJCQBPWZOKQZ-ZDUSSCGKSA-N 1 2 396.329 2.242 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC12CCS(=O)(=O)CC2)c1ccsc1 ZINC000186928338 532342704 /nfs/dbraw/zinc/34/27/04/532342704.db2.gz CDIJCGPHXSWWGL-CVEARBPZSA-N 1 2 384.567 2.462 20 0 GEADLO O=c1cc(C[NH2+][C@H](CO)c2cccc(Br)c2)nc2sccn21 ZINC000183896941 532329930 /nfs/dbraw/zinc/32/99/30/532329930.db2.gz LGYVDUGQSAYISE-CYBMUJFWSA-N 1 2 380.267 2.342 20 0 GEADLO C[C@@H](C(F)(F)F)S(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000184523173 532333520 /nfs/dbraw/zinc/33/35/20/532333520.db2.gz KRHWCMMTMMWUEI-AWEZNQCLSA-N 1 2 379.448 2.021 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000188430127 532348115 /nfs/dbraw/zinc/34/81/15/532348115.db2.gz YXQOSAJFTJDGPL-HNNXBMFYSA-N 1 2 391.269 2.032 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC[N@@H+]1CCO ZINC000188727945 532349318 /nfs/dbraw/zinc/34/93/18/532349318.db2.gz LBFJYYYAWAAGDF-SECBINFHSA-N 1 2 387.716 2.334 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC[N@H+]1CCO ZINC000188727945 532349319 /nfs/dbraw/zinc/34/93/19/532349319.db2.gz LBFJYYYAWAAGDF-SECBINFHSA-N 1 2 387.716 2.334 20 0 GEADLO Cc1csc(=O)n1CCC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188773959 532349487 /nfs/dbraw/zinc/34/94/87/532349487.db2.gz QCYLAGDJSZIAGW-UHFFFAOYSA-N 1 2 379.913 2.436 20 0 GEADLO Cc1csc(=O)n1CCC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188773959 532349488 /nfs/dbraw/zinc/34/94/88/532349488.db2.gz QCYLAGDJSZIAGW-UHFFFAOYSA-N 1 2 379.913 2.436 20 0 GEADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000188775431 532349543 /nfs/dbraw/zinc/34/95/43/532349543.db2.gz ZHPGJQSOIXKXEK-GOEBONIOSA-N 1 2 382.254 2.223 20 0 GEADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000188775431 532349544 /nfs/dbraw/zinc/34/95/44/532349544.db2.gz ZHPGJQSOIXKXEK-GOEBONIOSA-N 1 2 382.254 2.223 20 0 GEADLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189806312 532353707 /nfs/dbraw/zinc/35/37/07/532353707.db2.gz ULOKQZLHPFNQNA-LBPRGKRZSA-N 1 2 383.286 2.306 20 0 GEADLO O=C(NCC[N@@H+]1CCCOCC1)c1cc(Cl)cc(Br)c1O ZINC000190073755 532354602 /nfs/dbraw/zinc/35/46/02/532354602.db2.gz XZRUGTWRYPGEPK-UHFFFAOYSA-N 1 2 377.666 2.260 20 0 GEADLO O=C(NCC[N@H+]1CCCOCC1)c1cc(Cl)cc(Br)c1O ZINC000190073755 532354603 /nfs/dbraw/zinc/35/46/03/532354603.db2.gz XZRUGTWRYPGEPK-UHFFFAOYSA-N 1 2 377.666 2.260 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000190361919 532355786 /nfs/dbraw/zinc/35/57/86/532355786.db2.gz TXUFLSCWHNEMAF-HIFRSBDPSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000190361919 532355787 /nfs/dbraw/zinc/35/57/87/532355787.db2.gz TXUFLSCWHNEMAF-HIFRSBDPSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000190833849 532358220 /nfs/dbraw/zinc/35/82/20/532358220.db2.gz QHNHSXWAPZOIAZ-AWEZNQCLSA-N 1 2 375.560 2.139 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000190833849 532358221 /nfs/dbraw/zinc/35/82/21/532358221.db2.gz QHNHSXWAPZOIAZ-AWEZNQCLSA-N 1 2 375.560 2.139 20 0 GEADLO CCOC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(Br)c2C)CC1 ZINC000190939178 532358795 /nfs/dbraw/zinc/35/87/95/532358795.db2.gz BIFLLBMCKIOCRS-UHFFFAOYSA-N 1 2 397.313 2.397 20 0 GEADLO CCOC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(Br)c2C)CC1 ZINC000190939178 532358796 /nfs/dbraw/zinc/35/87/96/532358796.db2.gz BIFLLBMCKIOCRS-UHFFFAOYSA-N 1 2 397.313 2.397 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000191007442 532359141 /nfs/dbraw/zinc/35/91/41/532359141.db2.gz BVBAYWSEKJMBBL-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@@H]1CC(O)C[C@H](C)[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000191170985 532359835 /nfs/dbraw/zinc/35/98/35/532359835.db2.gz WBZSQUTVHSZATF-ONXXMXGDSA-N 1 2 376.316 2.457 20 0 GEADLO C[C@@H]1CC(O)C[C@H](C)[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000191170985 532359836 /nfs/dbraw/zinc/35/98/36/532359836.db2.gz WBZSQUTVHSZATF-ONXXMXGDSA-N 1 2 376.316 2.457 20 0 GEADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191304730 532360354 /nfs/dbraw/zinc/36/03/54/532360354.db2.gz TXMGGNFWRDAYPI-JTQLQIEISA-N 1 2 379.452 2.372 20 0 GEADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191304730 532360355 /nfs/dbraw/zinc/36/03/55/532360355.db2.gz TXMGGNFWRDAYPI-JTQLQIEISA-N 1 2 379.452 2.372 20 0 GEADLO O=C(c1cc(Br)ncc1Cl)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000187593547 532344916 /nfs/dbraw/zinc/34/49/16/532344916.db2.gz CHYAMELNNOAMSZ-LLVKDONJSA-N 1 2 388.693 2.434 20 0 GEADLO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)Cc1ccc(N)nc1 ZINC000647539063 532374706 /nfs/dbraw/zinc/37/47/06/532374706.db2.gz UZBJPMNCYJADSF-UHFFFAOYSA-N 1 2 383.315 2.626 20 0 GEADLO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)Cc1ccc(N)nc1 ZINC000647539063 532374712 /nfs/dbraw/zinc/37/47/12/532374712.db2.gz UZBJPMNCYJADSF-UHFFFAOYSA-N 1 2 383.315 2.626 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc2c(cc1Br)OCO2 ZINC000621979120 532375605 /nfs/dbraw/zinc/37/56/05/532375605.db2.gz PEXCLJTWFRCURM-UHFFFAOYSA-N 1 2 399.285 2.361 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc2c(cc1Br)OCO2 ZINC000621979120 532375615 /nfs/dbraw/zinc/37/56/15/532375615.db2.gz PEXCLJTWFRCURM-UHFFFAOYSA-N 1 2 399.285 2.361 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)c1cc(F)c[nH]c1=O ZINC000622096438 532378640 /nfs/dbraw/zinc/37/86/40/532378640.db2.gz QWNTWRCYIGZRAQ-UHFFFAOYSA-N 1 2 397.204 2.173 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCSc1nnnn1-c1ccc(Br)cc1 ZINC000191569653 532361326 /nfs/dbraw/zinc/36/13/26/532361326.db2.gz CUPVVCVXIWCFPG-NSHDSACASA-N 1 2 384.303 2.238 20 0 GEADLO C[C@H]1COCC[N@H+]1CCSc1nnnn1-c1ccc(Br)cc1 ZINC000191569653 532361327 /nfs/dbraw/zinc/36/13/27/532361327.db2.gz CUPVVCVXIWCFPG-NSHDSACASA-N 1 2 384.303 2.238 20 0 GEADLO Cn1cc(C(=O)NCC2([NH+]3CCOCC3)CC2)c(-c2ccc(Cl)s2)n1 ZINC000515411240 532363005 /nfs/dbraw/zinc/36/30/05/532363005.db2.gz CALLMAMWLBMJLR-UHFFFAOYSA-N 1 2 380.901 2.397 20 0 GEADLO COc1cccc(NC(=O)C[S@](=O)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000462989728 532363530 /nfs/dbraw/zinc/36/35/30/532363530.db2.gz RIQXEKQYZWOTEB-RUZDIDTESA-N 1 2 375.372 2.341 20 0 GEADLO O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000647015852 532363758 /nfs/dbraw/zinc/36/37/58/532363758.db2.gz VZELNRLXLCPYKK-TZMCWYRMSA-N 1 2 389.253 2.124 20 0 GEADLO O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000647015852 532363761 /nfs/dbraw/zinc/36/37/61/532363761.db2.gz VZELNRLXLCPYKK-TZMCWYRMSA-N 1 2 389.253 2.124 20 0 GEADLO COc1cccc(NC(=O)C[S@@](=O)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000462989729 532364187 /nfs/dbraw/zinc/36/41/87/532364187.db2.gz RIQXEKQYZWOTEB-VWLOTQADSA-N 1 2 375.372 2.341 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277874439 532364493 /nfs/dbraw/zinc/36/44/93/532364493.db2.gz UZUWQOKABDMBOU-TVQRCGJNSA-N 1 2 380.388 2.108 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277874439 532364501 /nfs/dbraw/zinc/36/45/01/532364501.db2.gz UZUWQOKABDMBOU-TVQRCGJNSA-N 1 2 380.388 2.108 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277874445 532364518 /nfs/dbraw/zinc/36/45/18/532364518.db2.gz UZUWQOKABDMBOU-ZANVPECISA-N 1 2 380.388 2.108 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277874445 532364528 /nfs/dbraw/zinc/36/45/28/532364528.db2.gz UZUWQOKABDMBOU-ZANVPECISA-N 1 2 380.388 2.108 20 0 GEADLO O=C(C[C@@H]1CCS(=O)(=O)C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000515470896 532365790 /nfs/dbraw/zinc/36/57/90/532365790.db2.gz GBKRSNWPMPCQPR-WMLDXEAASA-N 1 2 384.929 2.418 20 0 GEADLO CS(=O)(=O)N[C@H]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000425238723 532378544 /nfs/dbraw/zinc/37/85/44/532378544.db2.gz VIDHMAKBRFPHSO-VIFPVBQESA-N 1 2 388.262 2.264 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2F)C1 ZINC000590384392 532369870 /nfs/dbraw/zinc/36/98/70/532369870.db2.gz NQMUQUCPGWOCPM-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2F)C1 ZINC000590384392 532369872 /nfs/dbraw/zinc/36/98/72/532369872.db2.gz NQMUQUCPGWOCPM-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)[C@H]1CCc2[nH+]ccn2C1 ZINC000647161853 532370514 /nfs/dbraw/zinc/37/05/14/532370514.db2.gz LKSXABHQZCXTNE-LBPRGKRZSA-N 1 2 386.253 3.032 20 0 GEADLO Cc1cc(Cl)ccc1S(=O)(=O)NCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000557765948 532371825 /nfs/dbraw/zinc/37/18/25/532371825.db2.gz QZJRLKINKRXBNF-UHFFFAOYSA-N 1 2 379.873 2.619 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000278424209 532379615 /nfs/dbraw/zinc/37/96/15/532379615.db2.gz ZOYYUIOSSFKRNO-TZMCWYRMSA-N 1 2 391.295 2.278 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000278424209 532379622 /nfs/dbraw/zinc/37/96/22/532379622.db2.gz ZOYYUIOSSFKRNO-TZMCWYRMSA-N 1 2 391.295 2.278 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000590636129 532379921 /nfs/dbraw/zinc/37/99/21/532379921.db2.gz HANXJBVSCDALQC-MLGOLLRUSA-N 1 2 381.885 2.104 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000278424208 532380191 /nfs/dbraw/zinc/38/01/91/532380191.db2.gz ZOYYUIOSSFKRNO-OCCSQVGLSA-N 1 2 391.295 2.278 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000278424208 532380196 /nfs/dbraw/zinc/38/01/96/532380196.db2.gz ZOYYUIOSSFKRNO-OCCSQVGLSA-N 1 2 391.295 2.278 20 0 GEADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(Br)nn3C)CC2)c1 ZINC000192053616 532381331 /nfs/dbraw/zinc/38/13/31/532381331.db2.gz UYIVZFHLXOYWJI-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)[C@@H]1CCCC[C@@H]1OC)[NH+]1CCOCC1 ZINC000647894936 532383004 /nfs/dbraw/zinc/38/30/04/532383004.db2.gz APHDRKSZQSVZMY-FGTMMUONSA-N 1 2 376.563 2.000 20 0 GEADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)c1ccc2cc(Br)ccc2c1 ZINC000425298321 532383103 /nfs/dbraw/zinc/38/31/03/532383103.db2.gz WPMPQLAANYRHQO-KRWDZBQOSA-N 1 2 393.281 2.025 20 0 GEADLO CC(C)C(=O)NCC[N@H+](C)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192075615 532383888 /nfs/dbraw/zinc/38/38/88/532383888.db2.gz VUFRMGGISDFSEF-HNNXBMFYSA-N 1 2 382.302 2.258 20 0 GEADLO CC(C)C(=O)NCC[N@@H+](C)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192075615 532383895 /nfs/dbraw/zinc/38/38/95/532383895.db2.gz VUFRMGGISDFSEF-HNNXBMFYSA-N 1 2 382.302 2.258 20 0 GEADLO O=C1[C@H]([N@@H+]2CCOC3(CCOCC3)C2)CCN1c1cccc(Br)c1 ZINC000192074510 532384898 /nfs/dbraw/zinc/38/48/98/532384898.db2.gz BSINVLMEUXJITF-MRXNPFEDSA-N 1 2 395.297 2.436 20 0 GEADLO O=C1[C@H]([N@H+]2CCOC3(CCOCC3)C2)CCN1c1cccc(Br)c1 ZINC000192074510 532384900 /nfs/dbraw/zinc/38/49/00/532384900.db2.gz BSINVLMEUXJITF-MRXNPFEDSA-N 1 2 395.297 2.436 20 0 GEADLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccco1 ZINC000647897346 532385016 /nfs/dbraw/zinc/38/50/16/532385016.db2.gz WYSPYVSFLNOFOO-JTQLQIEISA-N 1 2 380.392 2.383 20 0 GEADLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623301181 532385674 /nfs/dbraw/zinc/38/56/74/532385674.db2.gz GMMSWYSPZOYYLD-IAQYHMDHSA-N 1 2 380.901 2.484 20 0 GEADLO CC(C)(C(=O)N[C@H]1CCn2c[nH+]cc2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000623300191 532386171 /nfs/dbraw/zinc/38/61/71/532386171.db2.gz LSBQSPHUHFWPJZ-ZDUSSCGKSA-N 1 2 381.885 2.220 20 0 GEADLO CCS(=O)(=O)N1CC[N@H+](CCOc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000558129344 532387043 /nfs/dbraw/zinc/38/70/43/532387043.db2.gz FRKWDMDALWHWLM-CYBMUJFWSA-N 1 2 380.432 2.440 20 0 GEADLO CCS(=O)(=O)N1CC[N@@H+](CCOc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000558129344 532387050 /nfs/dbraw/zinc/38/70/50/532387050.db2.gz FRKWDMDALWHWLM-CYBMUJFWSA-N 1 2 380.432 2.440 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@@H+]1CC(C)(C)O ZINC000294904703 532389373 /nfs/dbraw/zinc/38/93/73/532389373.db2.gz AWUNLUWRHBRUPY-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@H+]1CC(C)(C)O ZINC000294904703 532389378 /nfs/dbraw/zinc/38/93/78/532389378.db2.gz AWUNLUWRHBRUPY-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)CCN1CCCS1(=O)=O ZINC000678297816 532391537 /nfs/dbraw/zinc/39/15/37/532391537.db2.gz OWRPQZOQVAEUST-UHFFFAOYSA-N 1 2 382.917 2.301 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000678297816 532391542 /nfs/dbraw/zinc/39/15/42/532391542.db2.gz OWRPQZOQVAEUST-UHFFFAOYSA-N 1 2 382.917 2.301 20 0 GEADLO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCc1c[nH+]cn1C ZINC000558533451 532393254 /nfs/dbraw/zinc/39/32/54/532393254.db2.gz GLVDVPPFPJMVCP-UHFFFAOYSA-N 1 2 385.649 2.399 20 0 GEADLO Cc1nc([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)c(C)s1 ZINC000678588713 532398515 /nfs/dbraw/zinc/39/85/15/532398515.db2.gz TTYWZJTWDBMYIM-LBPRGKRZSA-N 1 2 383.539 2.224 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCSC(CC)(CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000464586799 532399981 /nfs/dbraw/zinc/39/99/81/532399981.db2.gz IOWPNOMANSBFAL-INIZCTEOSA-N 1 2 390.615 2.410 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCSC(CC)(CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000464586799 532399990 /nfs/dbraw/zinc/39/99/90/532399990.db2.gz IOWPNOMANSBFAL-INIZCTEOSA-N 1 2 390.615 2.410 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1CCSC(CC)(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000464586262 532400622 /nfs/dbraw/zinc/40/06/22/532400622.db2.gz GVYOXAVGZUWJFB-LSDHHAIUSA-N 1 2 376.588 2.018 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1CCSC(CC)(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000464586262 532400628 /nfs/dbraw/zinc/40/06/28/532400628.db2.gz GVYOXAVGZUWJFB-LSDHHAIUSA-N 1 2 376.588 2.018 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)C2 ZINC000372625209 532399110 /nfs/dbraw/zinc/39/91/10/532399110.db2.gz LHWVZZQFKBFAQM-LLVKDONJSA-N 1 2 375.372 2.383 20 0 GEADLO CNS(=O)(=O)CCC[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464573220 532399197 /nfs/dbraw/zinc/39/91/97/532399197.db2.gz IQGUDSNIKBRSBC-UHFFFAOYSA-N 1 2 381.723 2.400 20 0 GEADLO CNS(=O)(=O)CCC[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464573220 532399199 /nfs/dbraw/zinc/39/91/99/532399199.db2.gz IQGUDSNIKBRSBC-UHFFFAOYSA-N 1 2 381.723 2.400 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000426259945 532402717 /nfs/dbraw/zinc/40/27/17/532402717.db2.gz CCVHMSLRUJMBPP-UHFFFAOYSA-N 1 2 387.311 2.127 20 0 GEADLO COc1ccc(Br)c2[nH]c(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)cc21 ZINC000591227367 532402788 /nfs/dbraw/zinc/40/27/88/532402788.db2.gz BJVCDFVFMYMBLG-NSHDSACASA-N 1 2 396.285 2.390 20 0 GEADLO COc1ccc(Br)c2[nH]c(C(=O)NCC[N@H+]3CCOC[C@@H]3C)cc21 ZINC000591227367 532402794 /nfs/dbraw/zinc/40/27/94/532402794.db2.gz BJVCDFVFMYMBLG-NSHDSACASA-N 1 2 396.285 2.390 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000591230244 532403042 /nfs/dbraw/zinc/40/30/42/532403042.db2.gz NYBNUVSCOTYMTM-GFCCVEGCSA-N 1 2 393.285 2.290 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000591230244 532403048 /nfs/dbraw/zinc/40/30/48/532403048.db2.gz NYBNUVSCOTYMTM-GFCCVEGCSA-N 1 2 393.285 2.290 20 0 GEADLO COCC(C)(C)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000426043696 532402419 /nfs/dbraw/zinc/40/24/19/532402419.db2.gz ISXZJNMBZCVUJC-UHFFFAOYSA-N 1 2 378.897 2.458 20 0 GEADLO CN(c1ccc(N2CCOCC2)[nH+]c1)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000295097708 532403963 /nfs/dbraw/zinc/40/39/63/532403963.db2.gz GSGDLAMYOTYJOQ-CYBMUJFWSA-N 1 2 375.441 2.120 20 0 GEADLO CCCCN(C(=O)C[N@H+](C)[C@@H]1CC[C@@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000464766639 532404946 /nfs/dbraw/zinc/40/49/46/532404946.db2.gz BCDBUBVLFSGEDB-BRWVUGGUSA-N 1 2 390.615 2.408 20 0 GEADLO CCCCN(C(=O)C[N@@H+](C)[C@@H]1CC[C@@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000464766639 532404952 /nfs/dbraw/zinc/40/49/52/532404952.db2.gz BCDBUBVLFSGEDB-BRWVUGGUSA-N 1 2 390.615 2.408 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)c1ccc[nH]c1=O ZINC000517075188 532405546 /nfs/dbraw/zinc/40/55/46/532405546.db2.gz HGXQXYNMNNAZLF-UHFFFAOYSA-N 1 2 379.214 2.034 20 0 GEADLO O=C(C[NH+]1CCN(CCc2cccc(Cl)c2Cl)CC1)N1CCOCC1 ZINC000280038657 532405674 /nfs/dbraw/zinc/40/56/74/532405674.db2.gz NYCGFLCXTQWCQL-UHFFFAOYSA-N 1 2 386.323 2.012 20 0 GEADLO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000679473095 532405690 /nfs/dbraw/zinc/40/56/90/532405690.db2.gz OYYMXZYIOHLSGZ-CABCVRRESA-N 1 2 379.309 2.213 20 0 GEADLO C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccc(Br)cn1 ZINC000280062176 532407833 /nfs/dbraw/zinc/40/78/33/532407833.db2.gz YMWCHKMCZDUPEK-LBPRGKRZSA-N 1 2 383.290 2.069 20 0 GEADLO CCc1nc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)sc1C ZINC000192746286 532409506 /nfs/dbraw/zinc/40/95/06/532409506.db2.gz ZMBWACMNKCOZOE-UHFFFAOYSA-N 1 2 378.523 2.188 20 0 GEADLO CCc1nc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)sc1C ZINC000192746286 532409513 /nfs/dbraw/zinc/40/95/13/532409513.db2.gz ZMBWACMNKCOZOE-UHFFFAOYSA-N 1 2 378.523 2.188 20 0 GEADLO Cc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000427048762 532409634 /nfs/dbraw/zinc/40/96/34/532409634.db2.gz IRBVATGVCQNVSL-NSHDSACASA-N 1 2 377.242 2.024 20 0 GEADLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@]2(CCOC2)O1 ZINC000280244166 532408734 /nfs/dbraw/zinc/40/87/34/532408734.db2.gz BAYFSZQSJFEQLC-BMIGLBTASA-N 1 2 384.230 2.472 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@]2(CCOC2)O1 ZINC000280244166 532408745 /nfs/dbraw/zinc/40/87/45/532408745.db2.gz BAYFSZQSJFEQLC-BMIGLBTASA-N 1 2 384.230 2.472 20 0 GEADLO CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000591399554 532411126 /nfs/dbraw/zinc/41/11/26/532411126.db2.gz PCVYBXPPLHLRPS-ZWKOTPCHSA-N 1 2 377.595 2.324 20 0 GEADLO CN(C(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1)C1CC1 ZINC000591429846 532411338 /nfs/dbraw/zinc/41/13/38/532411338.db2.gz RQTFYQDOPNFJGE-UHFFFAOYSA-N 1 2 384.293 2.327 20 0 GEADLO CC1(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCC(F)(F)CC1 ZINC000680271876 532410704 /nfs/dbraw/zinc/41/07/04/532410704.db2.gz BXABKPSUTOJBCB-INIZCTEOSA-N 1 2 377.501 2.462 20 0 GEADLO CC(=O)N[C@H](CC(=O)NCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000193045911 532418421 /nfs/dbraw/zinc/41/84/21/532418421.db2.gz GGELEQSKHOYJMX-OAHLLOKOSA-N 1 2 379.258 2.029 20 0 GEADLO C[C@@H](CNC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1)[NH+]1CCOCC1 ZINC000465527231 532418484 /nfs/dbraw/zinc/41/84/84/532418484.db2.gz HRMWJPKHLGTZDM-JTQLQIEISA-N 1 2 380.436 2.417 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)CCn3ccccc3=O)[nH+]c12 ZINC000680551273 532418220 /nfs/dbraw/zinc/41/82/20/532418220.db2.gz OJLNRFQGNIMOSR-UHFFFAOYSA-N 1 2 389.253 2.273 20 0 GEADLO Cc1cc(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)sc1Br ZINC000295225919 532420856 /nfs/dbraw/zinc/42/08/56/532420856.db2.gz RXHUIJIHGSVHSV-UHFFFAOYSA-N 1 2 393.332 2.378 20 0 GEADLO CN1CCC[C@@]2(CC[N@@H+]([C@@H](C(N)=O)c3ccc(Br)cc3F)C2)C1=O ZINC000372900389 532418987 /nfs/dbraw/zinc/41/89/87/532418987.db2.gz BZWQFZZTDCYKCT-PBHICJAKSA-N 1 2 398.276 2.059 20 0 GEADLO CN1CCC[C@@]2(CC[N@H+]([C@@H](C(N)=O)c3ccc(Br)cc3F)C2)C1=O ZINC000372900389 532418994 /nfs/dbraw/zinc/41/89/94/532418994.db2.gz BZWQFZZTDCYKCT-PBHICJAKSA-N 1 2 398.276 2.059 20 0 GEADLO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372935979 532420421 /nfs/dbraw/zinc/42/04/21/532420421.db2.gz UTFFFANEIXOJAN-HUUCEWRRSA-N 1 2 392.297 2.175 20 0 GEADLO O=C1N[C@H]2CC[N@@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]2CO1 ZINC000281237241 532421683 /nfs/dbraw/zinc/42/16/83/532421683.db2.gz FUIVPIJBODLAKI-BDAKNGLRSA-N 1 2 399.270 2.491 20 0 GEADLO O=C1N[C@H]2CC[N@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]2CO1 ZINC000281237241 532421690 /nfs/dbraw/zinc/42/16/90/532421690.db2.gz FUIVPIJBODLAKI-BDAKNGLRSA-N 1 2 399.270 2.491 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)Nc1nc(-c2cccs2)cs1 ZINC000281478109 532424233 /nfs/dbraw/zinc/42/42/33/532424233.db2.gz WJWXVBGIPUCTPO-MNOVXSKESA-N 1 2 378.479 2.240 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)Nc1nc(-c2cccs2)cs1 ZINC000281478109 532424241 /nfs/dbraw/zinc/42/42/41/532424241.db2.gz WJWXVBGIPUCTPO-MNOVXSKESA-N 1 2 378.479 2.240 20 0 GEADLO CN(CC(=O)Nc1ccc(Br)cn1)Cc1cn2c([nH+]1)CCCC2 ZINC000372988967 532424278 /nfs/dbraw/zinc/42/42/78/532424278.db2.gz FUUVWVSMWWMVCH-UHFFFAOYSA-N 1 2 378.274 2.447 20 0 GEADLO C[N@@H+]1CCN(Cc2csc(CS(C)(=O)=O)n2)[C@H](Cc2ccccc2)C1 ZINC000649829622 532426591 /nfs/dbraw/zinc/42/65/91/532426591.db2.gz MZBYQLNZYJHHGI-QGZVFWFLSA-N 1 2 379.551 2.046 20 0 GEADLO C[N@H+]1CCN(Cc2csc(CS(C)(=O)=O)n2)[C@H](Cc2ccccc2)C1 ZINC000649829622 532426594 /nfs/dbraw/zinc/42/65/94/532426594.db2.gz MZBYQLNZYJHHGI-QGZVFWFLSA-N 1 2 379.551 2.046 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000517840798 532428747 /nfs/dbraw/zinc/42/87/47/532428747.db2.gz YLWDEIFFHVRQIP-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000517840798 532428752 /nfs/dbraw/zinc/42/87/52/532428752.db2.gz YLWDEIFFHVRQIP-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO O=C(N1CCOc2ccc(Br)cc2C1)C1([NH+]2CCOCC2)CCC1 ZINC000561008526 532427854 /nfs/dbraw/zinc/42/78/54/532427854.db2.gz MNHOYPQWGSSQIN-UHFFFAOYSA-N 1 2 395.297 2.425 20 0 GEADLO C[N@@H+](Cc1nnnn1CC(F)(F)F)C[C@H](O)c1ccccc1Br ZINC000295272348 532429300 /nfs/dbraw/zinc/42/93/00/532429300.db2.gz HTHQECILURTXRW-NSHDSACASA-N 1 2 394.195 2.163 20 0 GEADLO C[N@H+](Cc1nnnn1CC(F)(F)F)C[C@H](O)c1ccccc1Br ZINC000295272348 532429308 /nfs/dbraw/zinc/42/93/08/532429308.db2.gz HTHQECILURTXRW-NSHDSACASA-N 1 2 394.195 2.163 20 0 GEADLO CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000466526150 532430316 /nfs/dbraw/zinc/43/03/16/532430316.db2.gz AZIUNFHHLZZQTF-XJKSGUPXSA-N 1 2 384.929 2.368 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@H+](C)CCn2ccccc2=O)c1 ZINC000649948068 532431980 /nfs/dbraw/zinc/43/19/80/532431980.db2.gz BLMUIHKBVREYMS-INIZCTEOSA-N 1 2 381.270 2.285 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)CCn2ccccc2=O)c1 ZINC000649948068 532431986 /nfs/dbraw/zinc/43/19/86/532431986.db2.gz BLMUIHKBVREYMS-INIZCTEOSA-N 1 2 381.270 2.285 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)CN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000591997382 532431961 /nfs/dbraw/zinc/43/19/61/532431961.db2.gz BROGBODRABOFTO-VHSXEESVSA-N 1 2 383.217 2.497 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000650114547 532436665 /nfs/dbraw/zinc/43/66/65/532436665.db2.gz FLAJPPQTRACJLG-AWEZNQCLSA-N 1 2 387.889 2.120 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000518036665 532434057 /nfs/dbraw/zinc/43/40/57/532434057.db2.gz YEJDUZZQSLRNOO-KBRIMQKVSA-N 1 2 380.330 2.305 20 0 GEADLO C[C@@H]1C[C@H](CO)CC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000626118604 532434455 /nfs/dbraw/zinc/43/44/55/532434455.db2.gz CTWMTRHTHOUAKF-CHWSQXEVSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H]1C[C@H](CO)CC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000626118604 532434462 /nfs/dbraw/zinc/43/44/62/532434462.db2.gz CTWMTRHTHOUAKF-CHWSQXEVSA-N 1 2 376.316 2.316 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc(Cl)c3nonc32)CC1(C)C ZINC000295329073 532434608 /nfs/dbraw/zinc/43/46/08/532434608.db2.gz QBXNIXXGVFGNKC-ZDUSSCGKSA-N 1 2 381.845 2.382 20 0 GEADLO COc1ccc(-c2csc(NC(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O)n2)cc1 ZINC000467184692 532440619 /nfs/dbraw/zinc/44/06/19/532440619.db2.gz DGMZGQDEBQMPOX-XELLLNAOSA-N 1 2 381.523 2.456 20 0 GEADLO COc1ccc(-c2csc(NC(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O)n2)cc1 ZINC000467184692 532440623 /nfs/dbraw/zinc/44/06/23/532440623.db2.gz DGMZGQDEBQMPOX-XELLLNAOSA-N 1 2 381.523 2.456 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN(C)Cc1[nH+]ccn1C ZINC000295383202 532441298 /nfs/dbraw/zinc/44/12/98/532441298.db2.gz KQSVTEBBTCLTCD-GFCCVEGCSA-N 1 2 395.301 2.328 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(C)(C)CO ZINC000650113885 532437301 /nfs/dbraw/zinc/43/73/01/532437301.db2.gz DKOXLHRRHYGMFH-ZDUSSCGKSA-N 1 2 375.853 2.251 20 0 GEADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000373262490 532438259 /nfs/dbraw/zinc/43/82/59/532438259.db2.gz XJHWFXBQUYFMAV-MCIONIFRSA-N 1 2 381.929 2.318 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000295357423 532438518 /nfs/dbraw/zinc/43/85/18/532438518.db2.gz JARLXQMWRUHJCH-UHFFFAOYSA-N 1 2 380.470 2.438 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000281852023 532438834 /nfs/dbraw/zinc/43/88/34/532438834.db2.gz MZYZONQVMWVIFC-ZDUSSCGKSA-N 1 2 380.286 2.083 20 0 GEADLO O=C(NCc1cc(Br)ccc1F)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000561517246 532442461 /nfs/dbraw/zinc/44/24/61/532442461.db2.gz ZHKWFNUCBSFDBE-UHFFFAOYSA-N 1 2 396.264 2.339 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000518554434 532444656 /nfs/dbraw/zinc/44/46/56/532444656.db2.gz DFSHIWDTTFJSOL-AWEZNQCLSA-N 1 2 382.346 2.479 20 0 GEADLO Cc1oc(S(C)(=O)=O)cc1C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000626932091 532445344 /nfs/dbraw/zinc/44/53/44/532445344.db2.gz DOLOZMAEDGBKPH-OAHLLOKOSA-N 1 2 382.869 2.432 20 0 GEADLO Cn1c(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)nc2ccc(Br)cc21 ZINC000295445053 532446714 /nfs/dbraw/zinc/44/67/14/532446714.db2.gz VZLVCNDNJPKOBJ-SNVBAGLBSA-N 1 2 392.257 2.392 20 0 GEADLO Cn1c(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)nc2ccc(Br)cc21 ZINC000295445053 532446722 /nfs/dbraw/zinc/44/67/22/532446722.db2.gz VZLVCNDNJPKOBJ-SNVBAGLBSA-N 1 2 392.257 2.392 20 0 GEADLO C[C@@H]1CN(C(=O)CSCc2ccc(Br)cc2)CC[N@@H+]1CCO ZINC000428157370 532445827 /nfs/dbraw/zinc/44/58/27/532445827.db2.gz PALBVRQVQLEHGF-CYBMUJFWSA-N 1 2 387.343 2.207 20 0 GEADLO C[C@@H]1CN(C(=O)CSCc2ccc(Br)cc2)CC[N@H+]1CCO ZINC000428157370 532445834 /nfs/dbraw/zinc/44/58/34/532445834.db2.gz PALBVRQVQLEHGF-CYBMUJFWSA-N 1 2 387.343 2.207 20 0 GEADLO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000561774681 532452257 /nfs/dbraw/zinc/45/22/57/532452257.db2.gz YWLNUJVLRFFZGH-RISCZKNCSA-N 1 2 382.233 2.197 20 0 GEADLO COC(=O)C(C)(C)N1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000428407510 532452338 /nfs/dbraw/zinc/45/23/38/532452338.db2.gz IHDXZHZFZVQYDT-UHFFFAOYSA-N 1 2 397.313 2.453 20 0 GEADLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1cc(Br)c2c(c1)OCCCO2 ZINC000467519350 532449976 /nfs/dbraw/zinc/44/99/76/532449976.db2.gz DOELXGZFUHZMKS-TZMCWYRMSA-N 1 2 381.270 2.321 20 0 GEADLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1cc(Br)c2c(c1)OCCCO2 ZINC000467519350 532449980 /nfs/dbraw/zinc/44/99/80/532449980.db2.gz DOELXGZFUHZMKS-TZMCWYRMSA-N 1 2 381.270 2.321 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)NCCOc1ccc(Cl)cc1 ZINC000561738082 532451110 /nfs/dbraw/zinc/45/11/10/532451110.db2.gz AAMQHRVEIISYFT-DZGCQCFKSA-N 1 2 380.794 2.223 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)NCCOc1ccc(Cl)cc1 ZINC000561738082 532451117 /nfs/dbraw/zinc/45/11/17/532451117.db2.gz AAMQHRVEIISYFT-DZGCQCFKSA-N 1 2 380.794 2.223 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000373512889 532454603 /nfs/dbraw/zinc/45/46/03/532454603.db2.gz CPMDCCSRSJADAJ-CYBMUJFWSA-N 1 2 398.282 2.140 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000373512889 532454611 /nfs/dbraw/zinc/45/46/11/532454611.db2.gz CPMDCCSRSJADAJ-CYBMUJFWSA-N 1 2 398.282 2.140 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1([S@@](C)=O)CC1)c1ccc(Cl)cc1 ZINC000282322313 532456271 /nfs/dbraw/zinc/45/62/71/532456271.db2.gz SLEZSYIPGQCOCS-HWRSSNJWSA-N 1 2 380.901 2.373 20 0 GEADLO CCn1cc[nH+]c1CNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000295546372 532457981 /nfs/dbraw/zinc/45/79/81/532457981.db2.gz RVJNBKKOEIRCOW-UHFFFAOYSA-N 1 2 392.264 2.475 20 0 GEADLO O=C(CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)Nc1ccc(Br)cc1 ZINC000373581776 532458607 /nfs/dbraw/zinc/45/86/07/532458607.db2.gz LGMAUMYOHBQBDV-LBPRGKRZSA-N 1 2 391.269 2.353 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(=O)n1C ZINC000683408863 532458795 /nfs/dbraw/zinc/45/87/95/532458795.db2.gz YQARCOGHABRNHP-GFCCVEGCSA-N 1 2 379.258 2.130 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000562149319 532459557 /nfs/dbraw/zinc/45/95/57/532459557.db2.gz CWCATYZIUYAIRO-UHFFFAOYSA-N 1 2 375.841 2.452 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000592759619 532460363 /nfs/dbraw/zinc/46/03/63/532460363.db2.gz HMWHECPCARVIOY-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000592759619 532460367 /nfs/dbraw/zinc/46/03/67/532460367.db2.gz HMWHECPCARVIOY-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000562376472 532463724 /nfs/dbraw/zinc/46/37/24/532463724.db2.gz LLSSUYIDTMPLNB-INIZCTEOSA-N 1 2 381.523 2.187 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000562376472 532463732 /nfs/dbraw/zinc/46/37/32/532463732.db2.gz LLSSUYIDTMPLNB-INIZCTEOSA-N 1 2 381.523 2.187 20 0 GEADLO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)Cn3cc[nH+]c3)n2)cc1 ZINC000519495355 532466568 /nfs/dbraw/zinc/46/65/68/532466568.db2.gz RNJBLFDYBUUSNA-UHFFFAOYSA-N 1 2 377.451 2.017 20 0 GEADLO Oc1c(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2O)cc1Br ZINC000628467536 532468945 /nfs/dbraw/zinc/46/89/45/532468945.db2.gz XVGOFUVWKLFBER-GHMZBOCLSA-N 1 2 381.064 2.157 20 0 GEADLO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ncc(Br)cn1 ZINC000519576825 532469685 /nfs/dbraw/zinc/46/96/85/532469685.db2.gz MDLWKIUCULNTNT-GFCCVEGCSA-N 1 2 391.273 2.227 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CCc3ncccn3)[nH+]c12 ZINC000519604767 532470651 /nfs/dbraw/zinc/47/06/51/532470651.db2.gz FDEPFSPWXAWWFU-UHFFFAOYSA-N 1 2 388.269 2.487 20 0 GEADLO Cc1cc(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1Br ZINC000519607969 532471011 /nfs/dbraw/zinc/47/10/11/532471011.db2.gz PQCLBAUCLPRJHX-GASCZTMLSA-N 1 2 382.302 2.420 20 0 GEADLO Cc1cc(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1Br ZINC000519607969 532471019 /nfs/dbraw/zinc/47/10/19/532471019.db2.gz PQCLBAUCLPRJHX-GASCZTMLSA-N 1 2 382.302 2.420 20 0 GEADLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000468683833 532471854 /nfs/dbraw/zinc/47/18/54/532471854.db2.gz RGNJDTDBMXELIZ-GFCCVEGCSA-N 1 2 384.274 2.114 20 0 GEADLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000468683833 532471861 /nfs/dbraw/zinc/47/18/61/532471861.db2.gz RGNJDTDBMXELIZ-GFCCVEGCSA-N 1 2 384.274 2.114 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Br)ccc1Br ZINC000628915339 532476798 /nfs/dbraw/zinc/47/67/98/532476798.db2.gz RCVRXNQYQXONBC-JTQLQIEISA-N 1 2 392.091 2.272 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Br)ccc1Br ZINC000628915339 532476801 /nfs/dbraw/zinc/47/68/01/532476801.db2.gz RCVRXNQYQXONBC-JTQLQIEISA-N 1 2 392.091 2.272 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000282556432 532477374 /nfs/dbraw/zinc/47/73/74/532477374.db2.gz SFMXYQWEOBBNFI-UHFFFAOYSA-N 1 2 390.531 2.004 20 0 GEADLO CC(=O)N[C@H](CC1CCC1)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000468870987 532479196 /nfs/dbraw/zinc/47/91/96/532479196.db2.gz GCVHOTOLBRRTAH-OAHLLOKOSA-N 1 2 393.285 2.408 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2ccc(SCc3ncccc3Cl)nc2)CC1 ZINC000629106010 532480008 /nfs/dbraw/zinc/48/00/08/532480008.db2.gz CMUBXMDCJWDDIL-UHFFFAOYSA-N 1 2 398.941 2.358 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)COc1ccc(Br)cc1F ZINC000468892302 532481425 /nfs/dbraw/zinc/48/14/25/532481425.db2.gz JMAIDMBZEZSTSK-LBPRGKRZSA-N 1 2 389.265 2.146 20 0 GEADLO CCOC(=O)[C@H](F)C1C[NH+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000295860155 532482120 /nfs/dbraw/zinc/48/21/20/532482120.db2.gz DWAJOLPHJFHHIX-UONOGXRCSA-N 1 2 378.213 2.455 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282601902 532482335 /nfs/dbraw/zinc/48/23/35/532482335.db2.gz JWPDDCMNRVUGBM-CQSZACIVSA-N 1 2 388.917 2.082 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@H]1CCC[C@H]1CCO ZINC000429759264 532482819 /nfs/dbraw/zinc/48/28/19/532482819.db2.gz PGICHANOEOHJIK-FZMZJTMJSA-N 1 2 381.274 2.447 20 0 GEADLO O=C(c1ccc2[nH+]ccn2c1)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000374291774 532496879 /nfs/dbraw/zinc/49/68/79/532496879.db2.gz ALPKTGXBQNLEDJ-INIZCTEOSA-N 1 2 399.248 2.410 20 0 GEADLO C[C@H](NC(=O)NCc1ccsc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000282649769 532485075 /nfs/dbraw/zinc/48/50/75/532485075.db2.gz FNQDIQSDCSDJSP-QWRGUYRKSA-N 1 2 376.320 2.419 20 0 GEADLO O[C@@H](CN1CCC[C@@H]1c1ccc(Br)c(F)c1)C[NH+]1CCOCC1 ZINC000374033743 532486648 /nfs/dbraw/zinc/48/66/48/532486648.db2.gz NCEWBWDTLHUGNU-RHSMWYFYSA-N 1 2 387.293 2.418 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1csc(I)c1 ZINC000469102540 532491140 /nfs/dbraw/zinc/49/11/40/532491140.db2.gz ZWZZZLZTBNGQMM-JTQLQIEISA-N 1 2 394.278 2.145 20 0 GEADLO COC[C@@H](C)CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000685496620 532494705 /nfs/dbraw/zinc/49/47/05/532494705.db2.gz LVXVATPWJUZVKM-ZIAGYGMSSA-N 1 2 376.469 2.131 20 0 GEADLO COC[C@@H](C)CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000685496620 532494711 /nfs/dbraw/zinc/49/47/11/532494711.db2.gz LVXVATPWJUZVKM-ZIAGYGMSSA-N 1 2 376.469 2.131 20 0 GEADLO O=[S@](CCN1CC[NH+](CCCOCC(F)(F)F)CC1)c1ccccc1 ZINC000520564816 532494748 /nfs/dbraw/zinc/49/47/48/532494748.db2.gz XCZHGYMWVOEFEZ-RUZDIDTESA-N 1 2 378.460 2.381 20 0 GEADLO O=[S@](CC[NH+]1CCN(CCCOCC(F)(F)F)CC1)c1ccccc1 ZINC000520564816 532494762 /nfs/dbraw/zinc/49/47/62/532494762.db2.gz XCZHGYMWVOEFEZ-RUZDIDTESA-N 1 2 378.460 2.381 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684263451 532474410 /nfs/dbraw/zinc/47/44/10/532474410.db2.gz YZPHCAKHPOXVSI-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684263451 532474417 /nfs/dbraw/zinc/47/44/17/532474417.db2.gz YZPHCAKHPOXVSI-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000295791754 532475206 /nfs/dbraw/zinc/47/52/06/532475206.db2.gz RAXYXUZVBKEFCV-CQSZACIVSA-N 1 2 391.269 2.335 20 0 GEADLO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)NCC(F)(F)F ZINC000195323394 532475281 /nfs/dbraw/zinc/47/52/81/532475281.db2.gz JJBVGKUJHKAFIF-OAHLLOKOSA-N 1 2 379.448 2.227 20 0 GEADLO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)NCC(F)(F)F ZINC000195323394 532475285 /nfs/dbraw/zinc/47/52/85/532475285.db2.gz JJBVGKUJHKAFIF-OAHLLOKOSA-N 1 2 379.448 2.227 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)Cc2cn3ccccc3[nH+]2)cc1Cl ZINC000429344751 532475476 /nfs/dbraw/zinc/47/54/76/532475476.db2.gz AREFMLPBVSEXDZ-UHFFFAOYSA-N 1 2 377.853 2.250 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cnn3cc(Br)cnc23)CC1(C)C ZINC000295791458 532475960 /nfs/dbraw/zinc/47/59/60/532475960.db2.gz FHPFOYWDYRHLMH-LBPRGKRZSA-N 1 2 389.257 2.449 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431097722 532504463 /nfs/dbraw/zinc/50/44/63/532504463.db2.gz AUSFRARLZFYBKR-ZJUUUORDSA-N 1 2 381.278 2.267 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1cccc(Br)c1COC ZINC000296198046 532505194 /nfs/dbraw/zinc/50/51/94/532505194.db2.gz COVIBFRNSPBGEZ-UHFFFAOYSA-N 1 2 395.257 2.067 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C(=O)Nc2ccc(Br)cn2)CC1(C)C ZINC000296224385 532507692 /nfs/dbraw/zinc/50/76/92/532507692.db2.gz RTYHNRKUCHLQHT-LBPRGKRZSA-N 1 2 392.257 2.126 20 0 GEADLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1c[nH]c(=O)c(Br)c1 ZINC000469733388 532509769 /nfs/dbraw/zinc/50/97/69/532509769.db2.gz JFRXWERLWJQVBA-UHFFFAOYSA-N 1 2 387.237 2.940 20 0 GEADLO CC[N@@H+](CC(=O)OC)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000521586794 532515289 /nfs/dbraw/zinc/51/52/89/532515289.db2.gz WQJWTNUFGNGBIC-NSHDSACASA-N 1 2 380.666 2.337 20 0 GEADLO CC[N@H+](CC(=O)OC)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000521586794 532515294 /nfs/dbraw/zinc/51/52/94/532515294.db2.gz WQJWTNUFGNGBIC-NSHDSACASA-N 1 2 380.666 2.337 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000630396931 532516304 /nfs/dbraw/zinc/51/63/04/532516304.db2.gz SGSPXQPFLBNKCD-FZMZJTMJSA-N 1 2 394.324 2.082 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@@H](C)O[C@@H](CO)C3)C2=O)ccc1Br ZINC000469981454 532516885 /nfs/dbraw/zinc/51/68/85/532516885.db2.gz KOAMHBAFMCGVDO-UNEWFSDZSA-N 1 2 397.313 2.335 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@H+]3C[C@@H](C)O[C@@H](CO)C3)C2=O)ccc1Br ZINC000469981454 532516887 /nfs/dbraw/zinc/51/68/87/532516887.db2.gz KOAMHBAFMCGVDO-UNEWFSDZSA-N 1 2 397.313 2.335 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+](CCCO)C1)c1c(Cl)cc(F)cc1Cl ZINC000296364689 532517633 /nfs/dbraw/zinc/51/76/33/532517633.db2.gz WXNNBEFABVMTNA-NSHDSACASA-N 1 2 385.288 2.258 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+](CCCO)C1)c1c(Cl)cc(F)cc1Cl ZINC000296364689 532517640 /nfs/dbraw/zinc/51/76/40/532517640.db2.gz WXNNBEFABVMTNA-NSHDSACASA-N 1 2 385.288 2.258 20 0 GEADLO O=C(c1cc2c(c(Br)c1)OCO2)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374367721 532498565 /nfs/dbraw/zinc/49/85/65/532498565.db2.gz WPEVRFBODGIVRM-CQSZACIVSA-N 1 2 390.237 2.360 20 0 GEADLO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1n[nH]cc1Br ZINC000563345488 532500926 /nfs/dbraw/zinc/50/09/26/532500926.db2.gz RCHZZSMYQOOHPC-QMMMGPOBSA-N 1 2 390.079 2.275 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000630948859 532535833 /nfs/dbraw/zinc/53/58/33/532535833.db2.gz NEJRIZRDJZSZPL-BJZITVGISA-N 1 2 394.357 2.479 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2Br)c(C)c1 ZINC000525870541 532535954 /nfs/dbraw/zinc/53/59/54/532535954.db2.gz GCQBKVRHXSNLKI-UHFFFAOYSA-N 1 2 399.266 2.470 20 0 GEADLO COc1ccccc1[C@H](NS(=O)(=O)CCC(F)(F)F)c1[nH+]ccn1C ZINC000375134624 532537346 /nfs/dbraw/zinc/53/73/46/532537346.db2.gz YGJFHZAWSCTFCN-ZDUSSCGKSA-N 1 2 377.388 2.390 20 0 GEADLO C[N@@H+](Cc1cnc(Br)s1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296751132 532539690 /nfs/dbraw/zinc/53/96/90/532539690.db2.gz OTJPMSMQMBIVFW-VIFPVBQESA-N 1 2 380.308 2.223 20 0 GEADLO C[N@H+](Cc1cnc(Br)s1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296751132 532539694 /nfs/dbraw/zinc/53/96/94/532539694.db2.gz OTJPMSMQMBIVFW-VIFPVBQESA-N 1 2 380.308 2.223 20 0 GEADLO CCN1CCN(C(=O)Nc2ccnc(C)c2Br)C[C@@H]1c1[nH]cc[nH+]1 ZINC000526098367 532540672 /nfs/dbraw/zinc/54/06/72/532540672.db2.gz DKXSHERKAHPELJ-CYBMUJFWSA-N 1 2 393.289 2.208 20 0 GEADLO C[C@@H]1COCCCN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000653698546 532541380 /nfs/dbraw/zinc/54/13/80/532541380.db2.gz PJWAYTIAJXRKDG-GFCCVEGCSA-N 1 2 399.289 2.323 20 0 GEADLO CC[C@H](NC(=O)CS(=O)(=O)c1cccc(Br)c1)c1[nH]cc[nH+]1 ZINC000526947508 532542272 /nfs/dbraw/zinc/54/22/72/532542272.db2.gz JRKMXSHKSKHZKD-LBPRGKRZSA-N 1 2 386.271 2.213 20 0 GEADLO CCN(CC)C(=O)C1CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000565048871 532543695 /nfs/dbraw/zinc/54/36/95/532543695.db2.gz WGCSKAXGJQSQKH-UHFFFAOYSA-N 1 2 387.933 2.068 20 0 GEADLO CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246868035 532544583 /nfs/dbraw/zinc/54/45/83/532544583.db2.gz QWNAPYWLUUXLRQ-XHSDSOJGSA-N 1 2 385.892 2.262 20 0 GEADLO CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246868035 532544587 /nfs/dbraw/zinc/54/45/87/532544587.db2.gz QWNAPYWLUUXLRQ-XHSDSOJGSA-N 1 2 385.892 2.262 20 0 GEADLO O=C(NCC[C@]1(O)CCOC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000652805092 532520777 /nfs/dbraw/zinc/52/07/77/532520777.db2.gz QMZDTJNMWUNELH-AEFFLSMTSA-N 1 2 397.313 2.244 20 0 GEADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000594713046 532522307 /nfs/dbraw/zinc/52/23/07/532522307.db2.gz XZJQZLDNTDVTRQ-CQSZACIVSA-N 1 2 386.290 2.141 20 0 GEADLO COC(=O)[C@H](NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1cccc(Br)c1 ZINC000594711981 532522516 /nfs/dbraw/zinc/52/25/16/532522516.db2.gz OPHDGYRJZADUDV-HEHGZKQESA-N 1 2 385.302 2.362 20 0 GEADLO COC(=O)[C@H](NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1cccc(Br)c1 ZINC000594711981 532522520 /nfs/dbraw/zinc/52/25/20/532522520.db2.gz OPHDGYRJZADUDV-HEHGZKQESA-N 1 2 385.302 2.362 20 0 GEADLO O=C(NCC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)OCC(F)(F)F ZINC000374905820 532523235 /nfs/dbraw/zinc/52/32/35/532523235.db2.gz ASYFBBAEQUPGFJ-LBPRGKRZSA-N 1 2 379.766 2.101 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn([C@H]3CCCc4ccc(Cl)cc43)nn2)C1 ZINC000630618487 532523445 /nfs/dbraw/zinc/52/34/45/532523445.db2.gz XAIYFZYKMHTOGN-YOEHRIQHSA-N 1 2 380.901 2.134 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000523992931 532528208 /nfs/dbraw/zinc/52/82/08/532528208.db2.gz VXMNEBFJUICSKJ-SECBINFHSA-N 1 2 391.280 2.167 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000523992931 532528212 /nfs/dbraw/zinc/52/82/12/532528212.db2.gz VXMNEBFJUICSKJ-SECBINFHSA-N 1 2 391.280 2.167 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)[C@@H](C)Oc2cccc(Br)c2)CCO1 ZINC000470451824 532528296 /nfs/dbraw/zinc/52/82/96/532528296.db2.gz NMFRXMKQNXKDIE-UKRRQHHQSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C)Oc2cccc(Br)c2)CCO1 ZINC000470451824 532528300 /nfs/dbraw/zinc/52/83/00/532528300.db2.gz NMFRXMKQNXKDIE-UKRRQHHQSA-N 1 2 385.302 2.443 20 0 GEADLO COc1ccsc1S(=O)(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000471506179 532550691 /nfs/dbraw/zinc/55/06/91/532550691.db2.gz GOURBCSLXJBWKR-UHFFFAOYSA-N 1 2 383.495 2.448 20 0 GEADLO COc1cccc(CNC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000432992866 532551960 /nfs/dbraw/zinc/55/19/60/532551960.db2.gz QDTUOESSQFBPAO-LLVKDONJSA-N 1 2 379.258 2.215 20 0 GEADLO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000432996940 532552044 /nfs/dbraw/zinc/55/20/44/532552044.db2.gz IVEBTGNVUZWSHJ-GFCCVEGCSA-N 1 2 393.285 2.257 20 0 GEADLO O=C(NCc1ccccc1Br)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000283734113 532552677 /nfs/dbraw/zinc/55/26/77/532552677.db2.gz IERYJNMDWMJVKU-UHFFFAOYSA-N 1 2 391.269 2.195 20 0 GEADLO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC000654252222 532555281 /nfs/dbraw/zinc/55/52/81/532555281.db2.gz VNTFJQZAQDKGDA-ZDUSSCGKSA-N 1 2 380.286 2.001 20 0 GEADLO CCN1CCN(C(=O)COc2ccc(Br)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433115299 532555302 /nfs/dbraw/zinc/55/53/02/532555302.db2.gz OZGHWYMVGIBPAJ-OAHLLOKOSA-N 1 2 393.285 2.456 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000631682646 532556006 /nfs/dbraw/zinc/55/60/06/532556006.db2.gz MKTNWAPLQLBKJW-GUYCJALGSA-N 1 2 398.575 2.418 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000631682646 532556008 /nfs/dbraw/zinc/55/60/08/532556008.db2.gz MKTNWAPLQLBKJW-GUYCJALGSA-N 1 2 398.575 2.418 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000631689239 532556305 /nfs/dbraw/zinc/55/63/05/532556305.db2.gz YPYRDJLIIDVCBX-GXTWGEPZSA-N 1 2 376.931 2.127 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000631689239 532556306 /nfs/dbraw/zinc/55/63/06/532556306.db2.gz YPYRDJLIIDVCBX-GXTWGEPZSA-N 1 2 376.931 2.127 20 0 GEADLO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000471738422 532557151 /nfs/dbraw/zinc/55/71/51/532557151.db2.gz RLNKYZOJVJURGS-VNHYZAJKSA-N 1 2 381.464 2.177 20 0 GEADLO C[C@@H]1CN(c2ccc(CNS(=O)(=O)CCC(C)(F)F)c[nH+]2)C[C@@H](C)O1 ZINC000631753747 532558304 /nfs/dbraw/zinc/55/83/04/532558304.db2.gz SNQYYMXUMUKWOG-CHWSQXEVSA-N 1 2 377.457 2.160 20 0 GEADLO O=C1C[C@H]([N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)C(=O)N1CC(F)(F)F ZINC000248992475 532558613 /nfs/dbraw/zinc/55/86/13/532558613.db2.gz NVZFTGJNBJNCQA-STQMWFEESA-N 1 2 376.762 2.483 20 0 GEADLO O=C1C[C@H]([N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)C(=O)N1CC(F)(F)F ZINC000248992475 532558622 /nfs/dbraw/zinc/55/86/22/532558622.db2.gz NVZFTGJNBJNCQA-STQMWFEESA-N 1 2 376.762 2.483 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)C(=O)CCn2cc[nH+]c2)c1 ZINC000297003479 532559250 /nfs/dbraw/zinc/55/92/50/532559250.db2.gz RTOUUCBULHXGDR-HNNXBMFYSA-N 1 2 382.258 2.236 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654375034 532559817 /nfs/dbraw/zinc/55/98/17/532559817.db2.gz QGUNTZQMJCASTL-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO COc1nccnc1C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000297009811 532559868 /nfs/dbraw/zinc/55/98/68/532559868.db2.gz WOFGCUGEGIWCOA-CYBMUJFWSA-N 1 2 377.242 2.143 20 0 GEADLO CCN1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1=O ZINC000433255234 532560419 /nfs/dbraw/zinc/56/04/19/532560419.db2.gz GEPBYOIUJOPLOL-OAHLLOKOSA-N 1 2 380.286 2.109 20 0 GEADLO CCN1CCC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1=O ZINC000433255234 532560424 /nfs/dbraw/zinc/56/04/24/532560424.db2.gz GEPBYOIUJOPLOL-OAHLLOKOSA-N 1 2 380.286 2.109 20 0 GEADLO C[C@]1(Br)C[C@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000528266330 532560433 /nfs/dbraw/zinc/56/04/33/532560433.db2.gz JFFJIJSRWIHKAU-YJBOKZPZSA-N 1 2 397.313 2.187 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000249095881 532560675 /nfs/dbraw/zinc/56/06/75/532560675.db2.gz UBJFDKXGSGRARH-UONOGXRCSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000249095881 532560679 /nfs/dbraw/zinc/56/06/79/532560679.db2.gz UBJFDKXGSGRARH-UONOGXRCSA-N 1 2 376.469 2.398 20 0 GEADLO OCC[C@H]([NH2+]Cc1nnnn1C1CCOCC1)c1ccccc1Br ZINC000433251864 532561674 /nfs/dbraw/zinc/56/16/74/532561674.db2.gz JKRNMIMWEWTGGM-HNNXBMFYSA-N 1 2 396.289 2.000 20 0 GEADLO C[N@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000249378857 532564735 /nfs/dbraw/zinc/56/47/35/532564735.db2.gz URIMKOQCNVHQBO-NWDGAFQWSA-N 1 2 381.192 2.409 20 0 GEADLO C[N@@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000249378857 532564737 /nfs/dbraw/zinc/56/47/37/532564737.db2.gz URIMKOQCNVHQBO-NWDGAFQWSA-N 1 2 381.192 2.409 20 0 GEADLO COC(=O)C[N@H+](Cc1cccc(Br)c1)C[C@H](OC)[C@H]1CCOC1 ZINC000595457294 532564901 /nfs/dbraw/zinc/56/49/01/532564901.db2.gz IZXFITCCNGQINA-HOCLYGCPSA-N 1 2 386.286 2.476 20 0 GEADLO COC(=O)C[N@@H+](Cc1cccc(Br)c1)C[C@H](OC)[C@H]1CCOC1 ZINC000595457294 532564907 /nfs/dbraw/zinc/56/49/07/532564907.db2.gz IZXFITCCNGQINA-HOCLYGCPSA-N 1 2 386.286 2.476 20 0 GEADLO COC(=O)C[N@H+](Cc1cccc(Br)c1)C[C@@H](OC)[C@@H]1CCOC1 ZINC000595457292 532565205 /nfs/dbraw/zinc/56/52/05/532565205.db2.gz IZXFITCCNGQINA-GDBMZVCRSA-N 1 2 386.286 2.476 20 0 GEADLO COC(=O)C[N@@H+](Cc1cccc(Br)c1)C[C@@H](OC)[C@@H]1CCOC1 ZINC000595457292 532565211 /nfs/dbraw/zinc/56/52/11/532565211.db2.gz IZXFITCCNGQINA-GDBMZVCRSA-N 1 2 386.286 2.476 20 0 GEADLO COC(=O)CCN1CC[C@@H]([N@@H+]2CCc3c(Br)cc(C)cc3C2)C1=O ZINC000595449083 532566041 /nfs/dbraw/zinc/56/60/41/532566041.db2.gz MZBRQABCHJEFIZ-MRXNPFEDSA-N 1 2 395.297 2.280 20 0 GEADLO COC(=O)CCN1CC[C@@H]([N@H+]2CCc3c(Br)cc(C)cc3C2)C1=O ZINC000595449083 532566044 /nfs/dbraw/zinc/56/60/44/532566044.db2.gz MZBRQABCHJEFIZ-MRXNPFEDSA-N 1 2 395.297 2.280 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000565077904 532547073 /nfs/dbraw/zinc/54/70/73/532547073.db2.gz SOTZYGDPQBKNNY-UHFFFAOYSA-N 1 2 394.686 2.376 20 0 GEADLO CC[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@@H](C)O1 ZINC000247409268 532548051 /nfs/dbraw/zinc/54/80/51/532548051.db2.gz CCWUYXXIIZZYOB-CHWSQXEVSA-N 1 2 398.301 2.003 20 0 GEADLO CC[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@@H](C)O1 ZINC000247409268 532548057 /nfs/dbraw/zinc/54/80/57/532548057.db2.gz CCWUYXXIIZZYOB-CHWSQXEVSA-N 1 2 398.301 2.003 20 0 GEADLO CC(C)[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000432932695 532548193 /nfs/dbraw/zinc/54/81/93/532548193.db2.gz QNTXTZCLEXUKLK-HNNXBMFYSA-N 1 2 380.432 2.029 20 0 GEADLO CNC(=O)[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc(Br)cc3)n2)CCO1 ZINC000631202828 532548338 /nfs/dbraw/zinc/54/83/38/532548338.db2.gz DWXRMCQQDQWQRI-AWEZNQCLSA-N 1 2 391.269 2.166 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000527290813 532548663 /nfs/dbraw/zinc/54/86/63/532548663.db2.gz HEUHYLLPYHPZNE-LBPRGKRZSA-N 1 2 385.873 2.196 20 0 GEADLO COC(=O)[C@H](NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccccc1Br ZINC000596046841 532584184 /nfs/dbraw/zinc/58/41/84/532584184.db2.gz SDOKPTGEUAOZMM-WOSRLPQWSA-N 1 2 385.302 2.362 20 0 GEADLO COC(=O)[C@H](NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccccc1Br ZINC000596046841 532584190 /nfs/dbraw/zinc/58/41/90/532584190.db2.gz SDOKPTGEUAOZMM-WOSRLPQWSA-N 1 2 385.302 2.362 20 0 GEADLO CCN1C(=O)[C@H]2CN(c3cc[nH+]c4c(Br)cccc34)CCN2C1=O ZINC000375866960 532584488 /nfs/dbraw/zinc/58/44/88/532584488.db2.gz BOJVWCUWPKLQQF-CQSZACIVSA-N 1 2 389.253 2.470 20 0 GEADLO O=c1cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)nc2ccc(Br)cn12 ZINC000566007757 532586859 /nfs/dbraw/zinc/58/68/59/532586859.db2.gz PQJNJSHUNABYKY-MRXNPFEDSA-N 1 2 396.310 2.165 20 0 GEADLO O=c1cc(C[N@H+]2CCO[C@]3(CCSC3)C2)nc2ccc(Br)cn12 ZINC000566007757 532586862 /nfs/dbraw/zinc/58/68/62/532586862.db2.gz PQJNJSHUNABYKY-MRXNPFEDSA-N 1 2 396.310 2.165 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1ccccc1Br ZINC000434094439 532586955 /nfs/dbraw/zinc/58/69/55/532586955.db2.gz WFHJIRMSWNCSNA-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000473261260 532586926 /nfs/dbraw/zinc/58/69/26/532586926.db2.gz TYPSFGSOCRGJCC-LLVKDONJSA-N 1 2 381.274 2.118 20 0 GEADLO CSCCCCCCNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000284346437 532588270 /nfs/dbraw/zinc/58/82/70/532588270.db2.gz BLKOMMGCWFYFTF-UHFFFAOYSA-N 1 2 383.583 2.262 20 0 GEADLO CSCCCCCCNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000284346437 532588277 /nfs/dbraw/zinc/58/82/77/532588277.db2.gz BLKOMMGCWFYFTF-UHFFFAOYSA-N 1 2 383.583 2.262 20 0 GEADLO CO[C@@H]1COC[C@@H]1NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000655495275 532591024 /nfs/dbraw/zinc/59/10/24/532591024.db2.gz LGBASXBCFGHDFD-ARFHVFGLSA-N 1 2 383.286 2.116 20 0 GEADLO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]Cc2n[nH]cc2Br)cc1 ZINC000566107456 532593301 /nfs/dbraw/zinc/59/33/01/532593301.db2.gz KYEHDYVOVLQJAO-CQSZACIVSA-N 1 2 396.285 2.223 20 0 GEADLO O=C(Cc1nsc2ccccc12)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000566114077 532593313 /nfs/dbraw/zinc/59/33/13/532593313.db2.gz ZUXVDGHSUKWAPX-SFHVURJKSA-N 1 2 377.535 2.163 20 0 GEADLO Cc1ncc(C[NH+]2CCC(n3cc(NS(=O)(=O)C(F)F)cn3)CC2)s1 ZINC000376068462 532594144 /nfs/dbraw/zinc/59/41/44/532594144.db2.gz OHCZDSACZKLXBZ-UHFFFAOYSA-N 1 2 391.469 2.449 20 0 GEADLO CN1C(=O)NCC12CC[NH+](Cc1nc3ccc(Br)cc3[nH]1)CC2 ZINC000566140707 532594804 /nfs/dbraw/zinc/59/48/04/532594804.db2.gz TXAFQOYYDGWISK-UHFFFAOYSA-N 1 2 378.274 2.315 20 0 GEADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000595772954 532573913 /nfs/dbraw/zinc/57/39/13/532573913.db2.gz KXUYVZGSXLSXJZ-IUODEOHRSA-N 1 2 378.238 2.070 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000595803300 532575271 /nfs/dbraw/zinc/57/52/71/532575271.db2.gz TXGJLPKOHQLLNB-PXAZEXFGSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000595803300 532575277 /nfs/dbraw/zinc/57/52/77/532575277.db2.gz TXGJLPKOHQLLNB-PXAZEXFGSA-N 1 2 392.279 2.387 20 0 GEADLO CNC(=O)NC[C@H]1C[N@@H+]([C@H]2CCCc3ccc(Br)cc32)CCO1 ZINC000528628197 532575968 /nfs/dbraw/zinc/57/59/68/532575968.db2.gz JHOWZRWEULOKDA-HOCLYGCPSA-N 1 2 382.302 2.456 20 0 GEADLO CNC(=O)NC[C@H]1C[N@H+]([C@H]2CCCc3ccc(Br)cc32)CCO1 ZINC000528628197 532575975 /nfs/dbraw/zinc/57/59/75/532575975.db2.gz JHOWZRWEULOKDA-HOCLYGCPSA-N 1 2 382.302 2.456 20 0 GEADLO CCOC[C@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000528725877 532577472 /nfs/dbraw/zinc/57/74/72/532577472.db2.gz VXZIGPGZNRRXQF-GDBMZVCRSA-N 1 2 392.265 2.065 20 0 GEADLO CCOC[C@H]1C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000528725877 532577479 /nfs/dbraw/zinc/57/74/79/532577479.db2.gz VXZIGPGZNRRXQF-GDBMZVCRSA-N 1 2 392.265 2.065 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000375712088 532578190 /nfs/dbraw/zinc/57/81/90/532578190.db2.gz VKMLUAWXLADIOB-HUUCEWRRSA-N 1 2 386.880 2.245 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000375712088 532578196 /nfs/dbraw/zinc/57/81/96/532578196.db2.gz VKMLUAWXLADIOB-HUUCEWRRSA-N 1 2 386.880 2.245 20 0 GEADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)c2c[nH]c(=O)s2)c(C)c1 ZINC000632131677 532580452 /nfs/dbraw/zinc/58/04/52/532580452.db2.gz ZGUXMHQLWKZMKS-AWEZNQCLSA-N 1 2 378.479 2.382 20 0 GEADLO CC1(C)COC[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000565876466 532581289 /nfs/dbraw/zinc/58/12/89/532581289.db2.gz FTRFXYNKARUBQD-ZDUSSCGKSA-N 1 2 399.289 2.227 20 0 GEADLO COC(=O)c1ccc(C[NH+]2CCN(c3cnccn3)CC2)c(Br)c1 ZINC000284188215 532581748 /nfs/dbraw/zinc/58/17/48/532581748.db2.gz AWQBFXPXHVNAFM-UHFFFAOYSA-N 1 2 391.269 2.348 20 0 GEADLO CCCS(=O)(=O)CC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435333307 532613740 /nfs/dbraw/zinc/61/37/40/532613740.db2.gz OQLAAKCDFSRBRP-UHFFFAOYSA-N 1 2 383.901 2.390 20 0 GEADLO CCSC1(CNC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000597169134 532613945 /nfs/dbraw/zinc/61/39/45/532613945.db2.gz GPRILUPXFLEGDN-HNNXBMFYSA-N 1 2 383.945 2.461 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632501044 532615062 /nfs/dbraw/zinc/61/50/62/532615062.db2.gz IGIJIFXVXQNVSV-GJZGRUSLSA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2c(F)cccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000632501270 532616286 /nfs/dbraw/zinc/61/62/86/532616286.db2.gz LPPSIVCVCHIBIL-ZIAGYGMSSA-N 1 2 376.881 2.257 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000632501943 532616306 /nfs/dbraw/zinc/61/63/06/532616306.db2.gz QRKVRWJWVZZCOA-HOTGVXAUSA-N 1 2 388.917 2.126 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2ccc(Cl)c(F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000632502045 532617693 /nfs/dbraw/zinc/61/76/93/532617693.db2.gz JHVXTTUBNZBMDB-HUUCEWRRSA-N 1 2 376.881 2.257 20 0 GEADLO O=c1[nH]cc(S(=O)(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)s1 ZINC000632522625 532619317 /nfs/dbraw/zinc/61/93/17/532619317.db2.gz KSRLMDRSPCNTJY-UHFFFAOYSA-N 1 2 378.479 2.368 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000298021001 532619405 /nfs/dbraw/zinc/61/94/05/532619405.db2.gz BFMPNNQDLDNPQG-CQSZACIVSA-N 1 2 381.274 2.393 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000298021001 532619408 /nfs/dbraw/zinc/61/94/08/532619408.db2.gz BFMPNNQDLDNPQG-CQSZACIVSA-N 1 2 381.274 2.393 20 0 GEADLO COc1ccc(Br)c(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000284507992 532597622 /nfs/dbraw/zinc/59/76/22/532597622.db2.gz DROCGMKXGXZYQM-LSDHHAIUSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(Br)c(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000284507992 532597628 /nfs/dbraw/zinc/59/76/28/532597628.db2.gz DROCGMKXGXZYQM-LSDHHAIUSA-N 1 2 384.274 2.395 20 0 GEADLO C[C@H](CC(=O)NCCNC(=O)c1cccc(Br)c1)n1cc[nH+]c1 ZINC000566307451 532603890 /nfs/dbraw/zinc/60/38/90/532603890.db2.gz KTJWXRVSZLQREC-GFCCVEGCSA-N 1 2 379.258 2.143 20 0 GEADLO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000632356098 532605407 /nfs/dbraw/zinc/60/54/07/532605407.db2.gz HWOVTJXGOJBBLW-UHFFFAOYSA-N 1 2 379.309 2.087 20 0 GEADLO C[C@@H](CNC(=O)N[C@H](CO)c1c(Cl)cccc1Cl)[NH+]1CCOCC1 ZINC000474038715 532605400 /nfs/dbraw/zinc/60/54/00/532605400.db2.gz CVQFOMXHDZFVEO-SMDDNHRTSA-N 1 2 376.284 2.047 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2cc(Br)ccn2)CCN1C ZINC000284607321 532605716 /nfs/dbraw/zinc/60/57/16/532605716.db2.gz AUZWBXVAEATWQG-GFCCVEGCSA-N 1 2 379.262 2.098 20 0 GEADLO COc1cc(Br)c(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1OC ZINC000263259626 532621911 /nfs/dbraw/zinc/62/19/11/532621911.db2.gz QUABSHWIDJKYBB-JTQLQIEISA-N 1 2 379.201 2.080 20 0 GEADLO C[C@H](NC(=O)N[C@H](CO)c1c(Cl)cccc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000474342151 532613252 /nfs/dbraw/zinc/61/32/52/532613252.db2.gz STAGGGJLWJICCJ-SLEUVZQESA-N 1 2 390.311 2.435 20 0 GEADLO O=C(NC[C@H](O)[C@@H]1CCCO1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000529774590 532613745 /nfs/dbraw/zinc/61/37/45/532613745.db2.gz XWGYODQOSOLCOB-YESZJQIVSA-N 1 2 397.313 2.242 20 0 GEADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000597188517 532613610 /nfs/dbraw/zinc/61/36/10/532613610.db2.gz WHFCEPTZFVYPMI-GXSJLCMTSA-N 1 2 394.063 2.027 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000284825472 532622893 /nfs/dbraw/zinc/62/28/93/532622893.db2.gz AQOQONUTKPILAB-UHFFFAOYSA-N 1 2 377.242 2.216 20 0 GEADLO C[N@@H+]1CC[C@@H](CNC(=O)CSc2n[nH]c(=O)[nH]2)[C@@H]1c1cccc(Cl)c1 ZINC000376670847 532625133 /nfs/dbraw/zinc/62/51/33/532625133.db2.gz HZWRQRXEMFQGFJ-FZMZJTMJSA-N 1 2 381.889 2.065 20 0 GEADLO C[N@H+]1CC[C@@H](CNC(=O)CSc2n[nH]c(=O)[nH]2)[C@@H]1c1cccc(Cl)c1 ZINC000376670847 532625139 /nfs/dbraw/zinc/62/51/39/532625139.db2.gz HZWRQRXEMFQGFJ-FZMZJTMJSA-N 1 2 381.889 2.065 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376716983 532626032 /nfs/dbraw/zinc/62/60/32/532626032.db2.gz WURBRVMFWIKKJZ-LBPRGKRZSA-N 1 2 391.269 2.271 20 0 GEADLO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)nc1C ZINC000376777918 532628683 /nfs/dbraw/zinc/62/86/83/532628683.db2.gz MMEUDTBOBKPHIX-CQSZACIVSA-N 1 2 381.885 2.387 20 0 GEADLO O=C(c1nc(Br)sc1C1CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000376876913 532633127 /nfs/dbraw/zinc/63/31/27/532633127.db2.gz XHOBXDWMPXVISY-NSHDSACASA-N 1 2 386.315 2.330 20 0 GEADLO CCO[C@@H]1C[C@H]1NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000566950972 532633157 /nfs/dbraw/zinc/63/31/57/532633157.db2.gz DIKZFJYYDZZHKM-ZIAGYGMSSA-N 1 2 381.274 2.424 20 0 GEADLO C[C@@H](CNc1nc2c(cnn2C)c(N)[nH+]1)Oc1ccc(Br)cc1 ZINC000436408117 532633224 /nfs/dbraw/zinc/63/32/24/532633224.db2.gz VCNNCJDIVXRJEZ-VIFPVBQESA-N 1 2 377.246 2.587 20 0 GEADLO COC[C@H]([NH2+][C@H](C)CCc1ccc(I)cc1)C(=O)OC ZINC000475191830 532639407 /nfs/dbraw/zinc/63/94/07/532639407.db2.gz FDTDBPDWFOQONQ-RISCZKNCSA-N 1 2 391.249 2.390 20 0 GEADLO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000531911623 532639697 /nfs/dbraw/zinc/63/96/97/532639697.db2.gz VZVBKGIALSLYOG-HUUCEWRRSA-N 1 2 376.881 2.401 20 0 GEADLO Cn1ccnc1CN1CCC[C@@H]([NH2+]Cc2cccc(O)c2Br)C1=O ZINC000567086970 532640122 /nfs/dbraw/zinc/64/01/22/532640122.db2.gz VGOJIWIPUHXRCD-CYBMUJFWSA-N 1 2 393.285 2.169 20 0 GEADLO Cc1cc(Cl)nc(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000377103462 532642171 /nfs/dbraw/zinc/64/21/71/532642171.db2.gz HHFYLBHBVHDPAV-KRWDZBQOSA-N 1 2 384.933 2.051 20 0 GEADLO C[C@H](CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)[NH+](C)C ZINC000298382528 532646612 /nfs/dbraw/zinc/64/66/12/532646612.db2.gz CCMXEAMXNLNJQP-CYBMUJFWSA-N 1 2 381.523 2.158 20 0 GEADLO O=C(NCc1cn2ccccc2[nH+]1)C(=O)Nc1cc(F)ccc1Br ZINC000532069883 532645726 /nfs/dbraw/zinc/64/57/26/532645726.db2.gz NUGSUWOZBQFOGK-UHFFFAOYSA-N 1 2 391.200 2.491 20 0 GEADLO O=C(Cc1ccc(O)c(Cl)c1)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000633152850 532661332 /nfs/dbraw/zinc/66/13/32/532661332.db2.gz GIAYFSFURYVHQZ-OAHLLOKOSA-N 1 2 384.929 2.254 20 0 GEADLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Cn1cc(Br)cn1 ZINC000264100641 532661776 /nfs/dbraw/zinc/66/17/76/532661776.db2.gz HTOQDFMJFNFKLC-UHFFFAOYSA-N 1 2 380.168 2.063 20 0 GEADLO CSc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000298593070 532662695 /nfs/dbraw/zinc/66/26/95/532662695.db2.gz ZYGXDEKOBRPKKD-INIZCTEOSA-N 1 2 384.567 2.124 20 0 GEADLO CSc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000298593070 532662701 /nfs/dbraw/zinc/66/27/01/532662701.db2.gz ZYGXDEKOBRPKKD-INIZCTEOSA-N 1 2 384.567 2.124 20 0 GEADLO Cc1ccc([C@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)[C@H](C)S(C)(=O)=O)cc1 ZINC000437834698 532663876 /nfs/dbraw/zinc/66/38/76/532663876.db2.gz BKWSZADCZCDDNY-YXJHDRRASA-N 1 2 384.567 2.023 20 0 GEADLO Cc1ccc([C@H](NC(=O)C[N@@H+](C)[C@@H]2CCSC2)[C@H](C)S(C)(=O)=O)cc1 ZINC000437834698 532663883 /nfs/dbraw/zinc/66/38/83/532663883.db2.gz BKWSZADCZCDDNY-YXJHDRRASA-N 1 2 384.567 2.023 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000599564827 532666364 /nfs/dbraw/zinc/66/63/64/532666364.db2.gz NBYNMJGRCDGKBZ-YOEHRIQHSA-N 1 2 387.263 2.363 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000599564827 532666367 /nfs/dbraw/zinc/66/63/67/532666367.db2.gz NBYNMJGRCDGKBZ-YOEHRIQHSA-N 1 2 387.263 2.363 20 0 GEADLO C[NH+](C)[C@@H](C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Cl)c1 ZINC000481163813 532667062 /nfs/dbraw/zinc/66/70/62/532667062.db2.gz JKLQXHVQXWZQJI-CHWSQXEVSA-N 1 2 377.794 2.222 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000377280644 532647958 /nfs/dbraw/zinc/64/79/58/532647958.db2.gz MNNJILIJFWXNML-NEPJUHHUSA-N 1 2 386.279 2.254 20 0 GEADLO O=C(CCCCc1ccc(Br)cc1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000437005389 532648538 /nfs/dbraw/zinc/64/85/38/532648538.db2.gz FSCXMUKXMVBVIK-QGZVFWFLSA-N 1 2 380.330 2.278 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000477371278 532649540 /nfs/dbraw/zinc/64/95/40/532649540.db2.gz GZAVUGHZNJTHKO-UHFFFAOYSA-N 1 2 388.295 2.170 20 0 GEADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532358766 532650649 /nfs/dbraw/zinc/65/06/49/532650649.db2.gz KGNYTNAMUZXHHA-LLVKDONJSA-N 1 2 382.258 2.231 20 0 GEADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532358766 532650653 /nfs/dbraw/zinc/65/06/53/532650653.db2.gz KGNYTNAMUZXHHA-LLVKDONJSA-N 1 2 382.258 2.231 20 0 GEADLO O=C(CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F)NC1CCCCCC1 ZINC000437247667 532653370 /nfs/dbraw/zinc/65/33/70/532653370.db2.gz YORLOAZMGRVSLV-UHFFFAOYSA-N 1 2 381.420 2.199 20 0 GEADLO C[C@H](CCS(C)(=O)=O)NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532398733 532653934 /nfs/dbraw/zinc/65/39/34/532653934.db2.gz JERKAABLTWTJGL-IUODEOHRSA-N 1 2 375.922 2.065 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000298505869 532654430 /nfs/dbraw/zinc/65/44/30/532654430.db2.gz VSLXKOCYPCZPBZ-OAHLLOKOSA-N 1 2 385.302 2.052 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)N[C@@H](C)c1cccs1 ZINC000263994799 532654635 /nfs/dbraw/zinc/65/46/35/532654635.db2.gz LKOADQIZUANBTB-QWHCGFSZSA-N 1 2 381.523 2.266 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)N[C@@H](C)c1cccs1 ZINC000263994799 532654642 /nfs/dbraw/zinc/65/46/42/532654642.db2.gz LKOADQIZUANBTB-QWHCGFSZSA-N 1 2 381.523 2.266 20 0 GEADLO O=C(CCc1cc(Cl)cs1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000477914182 532655635 /nfs/dbraw/zinc/65/56/35/532655635.db2.gz YSISRPWBJAZPGS-UHFFFAOYSA-N 1 2 383.945 2.395 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CSC(=S)N1CCC(C)CC1 ZINC000377380660 532655904 /nfs/dbraw/zinc/65/59/04/532655904.db2.gz RAPKICAIJOTMDW-HZPDHXFCSA-N 1 2 385.599 2.058 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)Nc1nccs1 ZINC000377446586 532658597 /nfs/dbraw/zinc/65/85/97/532658597.db2.gz YNZVCKPBIYMZKJ-LLVKDONJSA-N 1 2 379.873 2.481 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)Nc1nccs1 ZINC000377446586 532658605 /nfs/dbraw/zinc/65/86/05/532658605.db2.gz YNZVCKPBIYMZKJ-LLVKDONJSA-N 1 2 379.873 2.481 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@H]1c1ccc(Cl)cc1 ZINC000568788705 532685711 /nfs/dbraw/zinc/68/57/11/532685711.db2.gz NKCOYBFPICBUCZ-QANKJYHBSA-N 1 2 384.929 2.416 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@H]1c1ccc(Cl)cc1 ZINC000568788705 532685723 /nfs/dbraw/zinc/68/57/23/532685723.db2.gz NKCOYBFPICBUCZ-QANKJYHBSA-N 1 2 384.929 2.416 20 0 GEADLO CC(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000298743974 532670586 /nfs/dbraw/zinc/67/05/86/532670586.db2.gz KGUIRCJEAFNPPD-UHFFFAOYSA-N 1 2 383.290 2.019 20 0 GEADLO Cn1ncc2c1nc(N)[nH+]c2N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000568250518 532672580 /nfs/dbraw/zinc/67/25/80/532672580.db2.gz SEARMVWFTSUBPF-UHFFFAOYSA-N 1 2 378.267 2.579 20 0 GEADLO Cc1c[nH+]c(C)nc1NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000568248209 532673270 /nfs/dbraw/zinc/67/32/70/532673270.db2.gz KIMQCOAVYSLMBY-UHFFFAOYSA-N 1 2 375.281 2.791 20 0 GEADLO O=C(C[N@H+]1CCSC[C@@H]1CCO)N[C@@H](c1nccs1)c1ccccc1 ZINC000438653828 532675412 /nfs/dbraw/zinc/67/54/12/532675412.db2.gz SIDATCVXJAYLLZ-DOTOQJQBSA-N 1 2 377.535 2.149 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@@H]1CCO)N[C@@H](c1nccs1)c1ccccc1 ZINC000438653828 532675417 /nfs/dbraw/zinc/67/54/17/532675417.db2.gz SIDATCVXJAYLLZ-DOTOQJQBSA-N 1 2 377.535 2.149 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3F)C[C@H]21 ZINC000285371869 532676515 /nfs/dbraw/zinc/67/65/15/532676515.db2.gz UZPFGSMPTGMHFU-KGLIPLIRSA-N 1 2 390.242 2.003 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3F)C[C@H]21 ZINC000285371869 532676518 /nfs/dbraw/zinc/67/65/18/532676518.db2.gz UZPFGSMPTGMHFU-KGLIPLIRSA-N 1 2 390.242 2.003 20 0 GEADLO CC1(C)C(=O)N[C@@H]1C1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000568468185 532677947 /nfs/dbraw/zinc/67/79/47/532677947.db2.gz BZXCFICPYOAFBZ-HUUCEWRRSA-N 1 2 394.313 2.212 20 0 GEADLO Cc1ccc(Br)c(CNC(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000568485155 532678071 /nfs/dbraw/zinc/67/80/71/532678071.db2.gz CDYAONQUUPXLEK-UHFFFAOYSA-N 1 2 382.302 2.422 20 0 GEADLO O=C(CS(=O)(=O)Cc1ccc(Cl)s1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000637631373 532678889 /nfs/dbraw/zinc/67/88/89/532678889.db2.gz MOQYZHGNHVVTPT-CYBMUJFWSA-N 1 2 390.958 2.449 20 0 GEADLO O=C(CS(=O)(=O)Cc1ccc(Cl)s1)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000637631373 532678895 /nfs/dbraw/zinc/67/88/95/532678895.db2.gz MOQYZHGNHVVTPT-CYBMUJFWSA-N 1 2 390.958 2.449 20 0 GEADLO CC[N@H+](Cc1cnn2cc(Br)cnc12)[C@H](C)CS(=O)(=O)CC ZINC000638081049 532679908 /nfs/dbraw/zinc/67/99/08/532679908.db2.gz HQNUFSVSJXXUDK-LLVKDONJSA-N 1 2 389.319 2.137 20 0 GEADLO CC[N@@H+](Cc1cnn2cc(Br)cnc12)[C@H](C)CS(=O)(=O)CC ZINC000638081049 532679909 /nfs/dbraw/zinc/67/99/09/532679909.db2.gz HQNUFSVSJXXUDK-LLVKDONJSA-N 1 2 389.319 2.137 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000438959870 532679886 /nfs/dbraw/zinc/67/98/86/532679886.db2.gz AUNACQQMDOQBMS-BFHYXJOUSA-N 1 2 379.258 2.464 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)[nH+]c12 ZINC000298855696 532680583 /nfs/dbraw/zinc/68/05/83/532680583.db2.gz FPXUDWAPQXZIRB-GFCCVEGCSA-N 1 2 396.289 2.104 20 0 GEADLO C[N@H+](CC(=O)NCc1cccs1)Cc1cnn2cc(Br)cnc12 ZINC000638079223 532680711 /nfs/dbraw/zinc/68/07/11/532680711.db2.gz KYUGHSOGGUMNEO-UHFFFAOYSA-N 1 2 394.298 2.302 20 0 GEADLO C[N@@H+](CC(=O)NCc1cccs1)Cc1cnn2cc(Br)cnc12 ZINC000638079223 532680717 /nfs/dbraw/zinc/68/07/17/532680717.db2.gz KYUGHSOGGUMNEO-UHFFFAOYSA-N 1 2 394.298 2.302 20 0 GEADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000638120625 532681032 /nfs/dbraw/zinc/68/10/32/532681032.db2.gz HYJCIUDRJPIRSH-CYBMUJFWSA-N 1 2 383.901 2.459 20 0 GEADLO COc1ncc(Br)cc1C[NH2+][C@@H](c1nccn1C)C(C)(C)CO ZINC000639223535 532691511 /nfs/dbraw/zinc/69/15/11/532691511.db2.gz AVIGOIWTYJDXIN-ZDUSSCGKSA-N 1 2 383.290 2.436 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2cccc(Br)c2)[C@@H](C)CO1 ZINC000665108568 532692859 /nfs/dbraw/zinc/69/28/59/532692859.db2.gz KHBRTQQRFCSYKJ-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2cccc(Br)c2)[C@@H](C)CO1 ZINC000665108568 532692864 /nfs/dbraw/zinc/69/28/64/532692864.db2.gz KHBRTQQRFCSYKJ-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285576841 532692989 /nfs/dbraw/zinc/69/29/89/532692989.db2.gz KPUMNYFNINIGEV-UONOGXRCSA-N 1 2 387.933 2.270 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285576841 532692995 /nfs/dbraw/zinc/69/29/95/532692995.db2.gz KPUMNYFNINIGEV-UONOGXRCSA-N 1 2 387.933 2.270 20 0 GEADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000665036367 532693786 /nfs/dbraw/zinc/69/37/86/532693786.db2.gz CRVBZTMPAAFAKI-OLZOCXBDSA-N 1 2 376.869 2.137 20 0 GEADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000665036367 532693796 /nfs/dbraw/zinc/69/37/96/532693796.db2.gz CRVBZTMPAAFAKI-OLZOCXBDSA-N 1 2 376.869 2.137 20 0 GEADLO CC[C@H]1C[N@H+](CCNS(=O)(=O)Cc2ccccc2C(F)(F)F)CCO1 ZINC000487335212 532693958 /nfs/dbraw/zinc/69/39/58/532693958.db2.gz GZYLQMYQKKXBES-AWEZNQCLSA-N 1 2 380.432 2.236 20 0 GEADLO CC[C@H]1C[N@@H+](CCNS(=O)(=O)Cc2ccccc2C(F)(F)F)CCO1 ZINC000487335212 532693964 /nfs/dbraw/zinc/69/39/64/532693964.db2.gz GZYLQMYQKKXBES-AWEZNQCLSA-N 1 2 380.432 2.236 20 0 GEADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc(Br)o1 ZINC000265381327 532694701 /nfs/dbraw/zinc/69/47/01/532694701.db2.gz CSQFUECDFJOHNF-CYBMUJFWSA-N 1 2 393.285 2.378 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000603557242 532695930 /nfs/dbraw/zinc/69/59/30/532695930.db2.gz KYBGEZVCVYJQHP-NWDGAFQWSA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000603557242 532695935 /nfs/dbraw/zinc/69/59/35/532695935.db2.gz KYBGEZVCVYJQHP-NWDGAFQWSA-N 1 2 384.325 2.488 20 0 GEADLO C[C@@H](CS(C)(=O)=O)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000603586816 532696932 /nfs/dbraw/zinc/69/69/32/532696932.db2.gz PTDYEBPSVMFJNR-XJKSGUPXSA-N 1 2 387.933 2.209 20 0 GEADLO O=C(Cn1cc(C[NH+]2CCSCC2)nn1)Nc1ccc(Br)cc1 ZINC000640753971 532697020 /nfs/dbraw/zinc/69/70/20/532697020.db2.gz GDGQKYWLJAFXKO-UHFFFAOYSA-N 1 2 396.314 2.228 20 0 GEADLO Cc1cccc(C(=O)N2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1Br ZINC000378573116 532698999 /nfs/dbraw/zinc/69/89/99/532698999.db2.gz QUQFVNOPEUWDRJ-UHFFFAOYSA-N 1 2 394.313 2.136 20 0 GEADLO Cc1cccc(C(=O)N2CCC(N3CC[N@H+](C)CC3=O)CC2)c1Br ZINC000378573116 532699009 /nfs/dbraw/zinc/69/90/09/532699009.db2.gz QUQFVNOPEUWDRJ-UHFFFAOYSA-N 1 2 394.313 2.136 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000439731753 532700089 /nfs/dbraw/zinc/70/00/89/532700089.db2.gz KURRWUQASCAICX-UHFFFAOYSA-N 1 2 389.612 2.230 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN(C(=O)CSCC(=O)c3ccccc3)CC2)S1 ZINC000266044850 532700287 /nfs/dbraw/zinc/70/02/87/532700287.db2.gz BLXDUIADXJBCSN-AWEZNQCLSA-N 1 2 377.535 2.238 20 0 GEADLO COc1cc(Br)ccc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000382657822 532701367 /nfs/dbraw/zinc/70/13/67/532701367.db2.gz SGCGQNXUPADGPL-CQSZACIVSA-N 1 2 383.286 2.395 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488718279 532701405 /nfs/dbraw/zinc/70/14/05/532701405.db2.gz MLPODPVBGDELDT-UWVGGRQHSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488718279 532701408 /nfs/dbraw/zinc/70/14/08/532701408.db2.gz MLPODPVBGDELDT-UWVGGRQHSA-N 1 2 375.252 2.421 20 0 GEADLO COc1cc(Br)ccc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000382657821 532702295 /nfs/dbraw/zinc/70/22/95/532702295.db2.gz SGCGQNXUPADGPL-AWEZNQCLSA-N 1 2 383.286 2.395 20 0 GEADLO O=S(=O)(NCC(F)(F)F)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000439288326 532689088 /nfs/dbraw/zinc/68/90/88/532689088.db2.gz UAFMYFLTWYAQGA-UHFFFAOYSA-N 1 2 385.839 2.291 20 0 GEADLO NC(=O)c1ccc(N2CC[NH+](Cc3cc(Br)cs3)CC2)nc1 ZINC000265227050 532689242 /nfs/dbraw/zinc/68/92/42/532689242.db2.gz ATVBWUVDHSKCQN-UHFFFAOYSA-N 1 2 381.299 2.327 20 0 GEADLO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000378297020 532689588 /nfs/dbraw/zinc/68/95/88/532689588.db2.gz SKBXEKQHEJHEJJ-LBPRGKRZSA-N 1 2 391.269 2.446 20 0 GEADLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cnn2cc(Br)cnc12 ZINC000639088257 532689798 /nfs/dbraw/zinc/68/97/98/532689798.db2.gz DZHGFWPRKXNXAY-UONOGXRCSA-N 1 2 379.258 2.062 20 0 GEADLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1cnn2cc(Br)cnc12 ZINC000639088257 532689801 /nfs/dbraw/zinc/68/98/01/532689801.db2.gz DZHGFWPRKXNXAY-UONOGXRCSA-N 1 2 379.258 2.062 20 0 GEADLO C[C@H](O)CNc1cc(N(C)C[C@@H](O)c2ccccc2Br)nc[nH+]1 ZINC000299009240 532690155 /nfs/dbraw/zinc/69/01/55/532690155.db2.gz SITGPQVZLXKJCW-SMDDNHRTSA-N 1 2 381.274 2.202 20 0 GEADLO C[C@H](O)CNc1cc(N(C)C[C@@H](O)c2ccccc2Br)[nH+]cn1 ZINC000299009240 532690161 /nfs/dbraw/zinc/69/01/61/532690161.db2.gz SITGPQVZLXKJCW-SMDDNHRTSA-N 1 2 381.274 2.202 20 0 GEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000536129935 532690745 /nfs/dbraw/zinc/69/07/45/532690745.db2.gz SLBAQSIJZPUSKF-VXGBXAGGSA-N 1 2 390.347 2.228 20 0 GEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000536129935 532690752 /nfs/dbraw/zinc/69/07/52/532690752.db2.gz SLBAQSIJZPUSKF-VXGBXAGGSA-N 1 2 390.347 2.228 20 0 GEADLO NC(=O)c1ccccc1CC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000489081780 532703599 /nfs/dbraw/zinc/70/35/99/532703599.db2.gz VURIEDUUPUCRCG-UHFFFAOYSA-N 1 2 387.237 2.055 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@@H]21 ZINC000285747437 532703646 /nfs/dbraw/zinc/70/36/46/532703646.db2.gz LFRKXOSJHDYYNE-QLFBSQMISA-N 1 2 383.279 2.197 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@@H]21 ZINC000285747437 532703649 /nfs/dbraw/zinc/70/36/49/532703649.db2.gz LFRKXOSJHDYYNE-QLFBSQMISA-N 1 2 383.279 2.197 20 0 GEADLO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000607937392 532705852 /nfs/dbraw/zinc/70/58/52/532705852.db2.gz XKIXNAGGLPOPOL-AWEZNQCLSA-N 1 2 383.279 2.117 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000299286408 532707183 /nfs/dbraw/zinc/70/71/83/532707183.db2.gz OBSNDAKSNSPTSM-UHFFFAOYSA-N 1 2 383.945 2.493 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000299286408 532707191 /nfs/dbraw/zinc/70/71/91/532707191.db2.gz OBSNDAKSNSPTSM-UHFFFAOYSA-N 1 2 383.945 2.493 20 0 GEADLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000266210404 532708583 /nfs/dbraw/zinc/70/85/83/532708583.db2.gz GCSAALBCSXECCK-CYBMUJFWSA-N 1 2 377.286 2.426 20 0 GEADLO CS(=O)(=O)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000299305307 532709641 /nfs/dbraw/zinc/70/96/41/532709641.db2.gz HWNGCDLCZXKKEA-UHFFFAOYSA-N 1 2 393.336 2.462 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C)c1ccc(Cl)cc1Cl ZINC000285820630 532711329 /nfs/dbraw/zinc/71/13/29/532711329.db2.gz FGCJIDFANOIDGE-KMUNFCNLSA-N 1 2 385.295 2.269 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C)c1ccc(Cl)cc1Cl ZINC000285820630 532711333 /nfs/dbraw/zinc/71/13/33/532711333.db2.gz FGCJIDFANOIDGE-KMUNFCNLSA-N 1 2 385.295 2.269 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)c(F)cc1F ZINC000440385058 532712343 /nfs/dbraw/zinc/71/23/43/532712343.db2.gz AWHLIDOIDAGPMP-AWEZNQCLSA-N 1 2 376.469 2.298 20 0 GEADLO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)c1ncc(Br)cn1 ZINC000573760430 532712474 /nfs/dbraw/zinc/71/24/74/532712474.db2.gz ZHDNJLNRYFMTEY-SECBINFHSA-N 1 2 379.214 2.257 20 0 GEADLO Cc1nn2c(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)c(C(C)C)nc2s1 ZINC000538725174 532715901 /nfs/dbraw/zinc/71/59/01/532715901.db2.gz BIYJSXCGCGWMNG-NSHDSACASA-N 1 2 380.436 2.330 20 0 GEADLO Cc1nn2c(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c(C(C)C)nc2s1 ZINC000538725174 532715910 /nfs/dbraw/zinc/71/59/10/532715910.db2.gz BIYJSXCGCGWMNG-NSHDSACASA-N 1 2 380.436 2.330 20 0 GEADLO Cc1cc(C[NH+]2CCN(c3nccn(C)c3=O)CC2)sc1Br ZINC000538720131 532716836 /nfs/dbraw/zinc/71/68/36/532716836.db2.gz IONCBZXQUFNYHX-UHFFFAOYSA-N 1 2 383.315 2.235 20 0 GEADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000299513604 532722693 /nfs/dbraw/zinc/72/26/93/532722693.db2.gz FXUVWTLZXHIWQO-HNNXBMFYSA-N 1 2 391.269 2.067 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000286000237 532724659 /nfs/dbraw/zinc/72/46/59/532724659.db2.gz ISMAOWKBOKQIPD-ZDUSSCGKSA-N 1 2 378.885 2.385 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000409533892 532724821 /nfs/dbraw/zinc/72/48/21/532724821.db2.gz FXSYKCGUHXATQP-UHFFFAOYSA-N 1 2 388.287 2.153 20 0 GEADLO COC(=O)[C@H]1CC[C@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000286173443 532732781 /nfs/dbraw/zinc/73/27/81/532732781.db2.gz UIPBRLASCKMMFV-OLZOCXBDSA-N 1 2 380.242 2.221 20 0 GEADLO COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000286173453 532732460 /nfs/dbraw/zinc/73/24/60/532732460.db2.gz UIPBRLASCKMMFV-QWHCGFSZSA-N 1 2 380.242 2.221 20 0 GEADLO CCN1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1=O ZINC000495244007 532719527 /nfs/dbraw/zinc/71/95/27/532719527.db2.gz PDJKJCJOKMSOGA-NSHDSACASA-N 1 2 386.265 2.469 20 0 GEADLO CCN1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1=O ZINC000495244007 532719538 /nfs/dbraw/zinc/71/95/38/532719538.db2.gz PDJKJCJOKMSOGA-NSHDSACASA-N 1 2 386.265 2.469 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@@H]2CC[NH2+]CC2(F)F)ccc1Br ZINC000579717196 532742830 /nfs/dbraw/zinc/74/28/30/532742830.db2.gz AJPCCKATLQRLJE-JTQLQIEISA-N 1 2 383.258 2.281 20 0 GEADLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cncc(Br)c3)CC2)C1 ZINC000301212823 532744479 /nfs/dbraw/zinc/74/44/79/532744479.db2.gz WUVYRQAVNNMYCA-GJZGRUSLSA-N 1 2 395.345 2.471 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000286425313 532746625 /nfs/dbraw/zinc/74/66/25/532746625.db2.gz IOIMSKSVFKTNMJ-LKFCYVNXSA-N 1 2 379.766 2.489 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000286425313 532746628 /nfs/dbraw/zinc/74/66/28/532746628.db2.gz IOIMSKSVFKTNMJ-LKFCYVNXSA-N 1 2 379.766 2.489 20 0 GEADLO C[C@@H](NC(=O)Cc1c(F)ccc(Br)c1F)[C@@H](C)[NH+]1CCOCC1 ZINC000503353741 532746710 /nfs/dbraw/zinc/74/67/10/532746710.db2.gz JOJREYQIOZVZII-GHMZBOCLSA-N 1 2 391.256 2.495 20 0 GEADLO Cc1cc(NC[C@@H](O)COc2ccc(I)cc2)nc[nH+]1 ZINC000301258335 532747772 /nfs/dbraw/zinc/74/77/72/532747772.db2.gz OBUVFGRSHBHSRQ-GFCCVEGCSA-N 1 2 385.205 2.241 20 0 GEADLO CS(=O)(=O)CC1(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000540056374 532734343 /nfs/dbraw/zinc/73/43/43/532734343.db2.gz PHOFRSOFEYBSQZ-CYBMUJFWSA-N 1 2 378.416 2.378 20 0 GEADLO CS(=O)(=O)CC1(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000540056374 532734349 /nfs/dbraw/zinc/73/43/49/532734349.db2.gz PHOFRSOFEYBSQZ-CYBMUJFWSA-N 1 2 378.416 2.378 20 0 GEADLO CN(CCN1CCCS1(=O)=O)c1cc[nH+]c2c(Br)cccc12 ZINC000674409676 532736700 /nfs/dbraw/zinc/73/67/00/532736700.db2.gz KCOIWKHOENHQLZ-UHFFFAOYSA-N 1 2 384.299 2.469 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000674891238 532737726 /nfs/dbraw/zinc/73/77/26/532737726.db2.gz SKMKRCIXDKPROH-WCQYABFASA-N 1 2 382.511 2.237 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cnc3ccsc3c2)CC[N@@H+]1CCOC ZINC000501166705 532737854 /nfs/dbraw/zinc/73/78/54/532737854.db2.gz VFXIWXFVZLKVTK-AWEZNQCLSA-N 1 2 383.539 2.418 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cnc3ccsc3c2)CC[N@H+]1CCOC ZINC000501166705 532737861 /nfs/dbraw/zinc/73/78/61/532737861.db2.gz VFXIWXFVZLKVTK-AWEZNQCLSA-N 1 2 383.539 2.418 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(OC)ccc2Cl)CC[N@@H+]1CCOC ZINC000501156752 532738603 /nfs/dbraw/zinc/73/86/03/532738603.db2.gz PHUKCCKYYNHWRU-CQSZACIVSA-N 1 2 390.933 2.470 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(OC)ccc2Cl)CC[N@H+]1CCOC ZINC000501156752 532738606 /nfs/dbraw/zinc/73/86/06/532738606.db2.gz PHUKCCKYYNHWRU-CQSZACIVSA-N 1 2 390.933 2.470 20 0 GEADLO O=C(Cc1cc(Cl)ccc1Br)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614509048 532738761 /nfs/dbraw/zinc/73/87/61/532738761.db2.gz ZJIUALRWODKRJF-AWEZNQCLSA-N 1 2 386.721 2.151 20 0 GEADLO O=C(Cc1cc(Cl)ccc1Br)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614509048 532738766 /nfs/dbraw/zinc/73/87/66/532738766.db2.gz ZJIUALRWODKRJF-AWEZNQCLSA-N 1 2 386.721 2.151 20 0 GEADLO CN1CC[NH+]([C@H](CNC(=O)CCn2cc(Cl)cn2)c2cccs2)CC1 ZINC000614525833 532741422 /nfs/dbraw/zinc/74/14/22/532741422.db2.gz MOKPSXHCSWUDOD-OAHLLOKOSA-N 1 2 381.933 2.093 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)Cn2cc(Cl)cn2)c2ccc(Cl)cc2)C1 ZINC000502855347 532741942 /nfs/dbraw/zinc/74/19/42/532741942.db2.gz KPDOGBMTZNJJCC-NVXWUHKLSA-N 1 2 383.279 2.378 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)Cn2cc(Cl)cn2)c2ccc(Cl)cc2)C1 ZINC000502855347 532741947 /nfs/dbraw/zinc/74/19/47/532741947.db2.gz KPDOGBMTZNJJCC-NVXWUHKLSA-N 1 2 383.279 2.378 20 0 GEADLO O=C(NCC[N@H+]1CC=CCC1)c1n[nH]c2ccc(I)cc21 ZINC000506771640 532754440 /nfs/dbraw/zinc/75/44/40/532754440.db2.gz HOZPMNGSDYYMRQ-UHFFFAOYSA-N 1 2 396.232 2.159 20 0 GEADLO O=C(NCC[N@@H+]1CC=CCC1)c1n[nH]c2ccc(I)cc21 ZINC000506771640 532754443 /nfs/dbraw/zinc/75/44/43/532754443.db2.gz HOZPMNGSDYYMRQ-UHFFFAOYSA-N 1 2 396.232 2.159 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cncc(I)c1)C1CC1 ZINC000581386737 532755892 /nfs/dbraw/zinc/75/58/92/532755892.db2.gz KCLWEVXOSGMRKQ-LBPRGKRZSA-N 1 2 382.205 2.301 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ncccc1Br)C1CCOCC1 ZINC000286607309 532758287 /nfs/dbraw/zinc/75/82/87/532758287.db2.gz AYYGHZIJKYEMJT-ZDUSSCGKSA-N 1 2 379.258 2.475 20 0 GEADLO O=C(NCCNc1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000541848139 532759702 /nfs/dbraw/zinc/75/97/02/532759702.db2.gz CEWBBARVUNTUEK-UHFFFAOYSA-N 1 2 387.241 2.267 20 0 GEADLO CN(CC[NH+]1CCOCC1)c1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl ZINC000301351373 532749278 /nfs/dbraw/zinc/74/92/78/532749278.db2.gz VYYWGTBVKFEPEP-UHFFFAOYSA-N 1 2 383.279 2.308 20 0 GEADLO C[C@@H](CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F)C[NH+]1CCOCC1 ZINC000301347855 532750114 /nfs/dbraw/zinc/75/01/14/532750114.db2.gz HSKPQDQLPXRXKE-NSHDSACASA-N 1 2 384.395 2.499 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000444696460 532750664 /nfs/dbraw/zinc/75/06/64/532750664.db2.gz IHICPFIBEHHTDL-MELADBBJSA-N 1 2 384.464 2.075 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000444696460 532750667 /nfs/dbraw/zinc/75/06/67/532750667.db2.gz IHICPFIBEHHTDL-MELADBBJSA-N 1 2 384.464 2.075 20 0 GEADLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc3nnnn3n2)CC1 ZINC000301414358 532751196 /nfs/dbraw/zinc/75/11/96/532751196.db2.gz ADZQXQBATDCKPL-LBPRGKRZSA-N 1 2 388.273 2.165 20 0 GEADLO CN(C)c1cc(NC(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)[nH+]cc1Br ZINC000580995542 532752187 /nfs/dbraw/zinc/75/21/87/532752187.db2.gz RVLOKZCRIZAOFI-RYUDHWBXSA-N 1 2 396.289 2.185 20 0 GEADLO C[C@H]([NH2+]Cc1ncccc1F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000580988745 532752377 /nfs/dbraw/zinc/75/23/77/532752377.db2.gz OOOSTXZLNZHKQB-VIFPVBQESA-N 1 2 388.262 2.481 20 0 GEADLO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2c(F)ccc(O)c2F)c(C)s1 ZINC000511738468 532774850 /nfs/dbraw/zinc/77/48/50/532774850.db2.gz CLIDGTDEBUCWMS-UHFFFAOYSA-N 1 2 376.450 2.417 20 0 GEADLO CC[C@@H]([NH2+]CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)c1nc(C)cs1 ZINC000542556847 532775044 /nfs/dbraw/zinc/77/50/44/532775044.db2.gz XZLWIIVEURTZFF-LSDHHAIUSA-N 1 2 387.571 2.164 20 0 GEADLO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3CS(N)(=O)=O)cs2)cc1 ZINC000512272932 532777629 /nfs/dbraw/zinc/77/76/29/532777629.db2.gz WJJPICRMUNOSGY-OAHLLOKOSA-N 1 2 381.523 2.462 20 0 GEADLO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3CS(N)(=O)=O)cs2)cc1 ZINC000512272932 532777635 /nfs/dbraw/zinc/77/76/35/532777635.db2.gz WJJPICRMUNOSGY-OAHLLOKOSA-N 1 2 381.523 2.462 20 0 GEADLO Oc1c(Br)cc(C[NH2+]C2COCCOC2)cc1Br ZINC000311060376 532777948 /nfs/dbraw/zinc/77/79/48/532777948.db2.gz IMBMSNDHYRFQDI-UHFFFAOYSA-N 1 2 381.064 2.422 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2ccc(Br)s2)C1=O ZINC000542153620 532764963 /nfs/dbraw/zinc/76/49/63/532764963.db2.gz ADCMLUCRZJILHQ-JTQLQIEISA-N 1 2 397.298 2.165 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)NCCc2cn(C)c[nH+]2)c(Br)c1 ZINC000411594589 532768319 /nfs/dbraw/zinc/76/83/19/532768319.db2.gz HBZPTWWAIZPGAC-UHFFFAOYSA-N 1 2 379.258 2.097 20 0 GEADLO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[NH+](CCCCCO)CC1 ZINC000588936035 532772275 /nfs/dbraw/zinc/77/22/75/532772275.db2.gz ZZFWLFBTEXGOMT-UHFFFAOYSA-N 1 2 380.432 2.174 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000313490971 532780049 /nfs/dbraw/zinc/78/00/49/532780049.db2.gz IDISQXQHNZJEAO-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO Cc1ccccc1C[C@@H](CO)Nc1[nH+]cnc2c1c(Br)nn2C ZINC000302702900 532772566 /nfs/dbraw/zinc/77/25/66/532772566.db2.gz IUGVOYOECMQPAZ-LBPRGKRZSA-N 1 2 376.258 2.450 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000542481844 532773777 /nfs/dbraw/zinc/77/37/77/532773777.db2.gz HOXWAXRZZVGUNT-UHFFFAOYSA-N 1 2 376.873 2.105 20 0 GEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000268993227 532774008 /nfs/dbraw/zinc/77/40/08/532774008.db2.gz WNLGLZREPBXUED-KBPBESRZSA-N 1 2 384.523 2.378 20 0 GEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000268993227 532774011 /nfs/dbraw/zinc/77/40/11/532774011.db2.gz WNLGLZREPBXUED-KBPBESRZSA-N 1 2 384.523 2.378 20 0 GEADLO COc1ccc(C[C@@H](CO)CNC(=O)CCn2cc[nH+]c2)cc1Br ZINC000456486038 532782075 /nfs/dbraw/zinc/78/20/75/532782075.db2.gz IGLVQURKCYIZNO-CQSZACIVSA-N 1 2 396.285 2.012 20 0 GEADLO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC000456737255 532783615 /nfs/dbraw/zinc/78/36/15/532783615.db2.gz XSIAQUHOQHMNAT-ZDUSSCGKSA-N 1 2 396.285 2.012 20 0 GEADLO CN(C(=O)CS(=O)(=O)C1CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457078591 532785175 /nfs/dbraw/zinc/78/51/75/532785175.db2.gz DJBHJMKERANQOU-UHFFFAOYSA-N 1 2 384.464 2.219 20 0 GEADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1nc2ccccc2cc1Br ZINC000457110132 532786721 /nfs/dbraw/zinc/78/67/21/532786721.db2.gz YQXZRWUVCWYYHM-LBPRGKRZSA-N 1 2 378.270 2.136 20 0 GEADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1nc2ccccc2cc1Br ZINC000457110132 532786725 /nfs/dbraw/zinc/78/67/25/532786725.db2.gz YQXZRWUVCWYYHM-LBPRGKRZSA-N 1 2 378.270 2.136 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000287248800 532788505 /nfs/dbraw/zinc/78/85/05/532788505.db2.gz JURXUIHCVSEQRB-AAEUAGOBSA-N 1 2 393.285 2.261 20 0 GEADLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)Nc1cncc(Br)c1 ZINC000270104367 532794332 /nfs/dbraw/zinc/79/43/32/532794332.db2.gz FWTFVHLBFQTQRS-UHFFFAOYSA-N 1 2 392.257 2.397 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000287417459 532794570 /nfs/dbraw/zinc/79/45/70/532794570.db2.gz QCQHKACMUOZRHF-NWDGAFQWSA-N 1 2 380.539 2.359 20 0 GEADLO Cn1cc([C@@H](CO)[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)cn1 ZINC000270189045 532794917 /nfs/dbraw/zinc/79/49/17/532794917.db2.gz KMQYFSUAQGGKTP-OAHLLOKOSA-N 1 2 376.258 2.396 20 0 GEADLO Cn1cc([C@H](CO)[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)cn1 ZINC000270189043 532795374 /nfs/dbraw/zinc/79/53/74/532795374.db2.gz KMQYFSUAQGGKTP-HNNXBMFYSA-N 1 2 376.258 2.396 20 0 GEADLO O=C(c1nccn2c(Br)cnc12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271228454 532804996 /nfs/dbraw/zinc/80/49/96/532804996.db2.gz FDLUEIBDKYRCGP-SNVBAGLBSA-N 1 2 375.230 2.235 20 0 GEADLO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCn2cc[nH+]c2C1 ZINC000329346611 532805963 /nfs/dbraw/zinc/80/59/63/532805963.db2.gz RJPSVNNVRWISJP-GFCCVEGCSA-N 1 2 389.253 2.041 20 0 GEADLO C[C@@H](CNC(=O)NCCC(C)(C)S(C)(=O)=O)[N@@H+]1CCc2sccc2C1 ZINC000413130905 532806655 /nfs/dbraw/zinc/80/66/55/532806655.db2.gz NODKQAWFRLGZEE-ZDUSSCGKSA-N 1 2 387.571 2.007 20 0 GEADLO C[C@@H](CNC(=O)NCCC(C)(C)S(C)(=O)=O)[N@H+]1CCc2sccc2C1 ZINC000413130905 532806656 /nfs/dbraw/zinc/80/66/56/532806656.db2.gz NODKQAWFRLGZEE-ZDUSSCGKSA-N 1 2 387.571 2.007 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1cc(F)cc(Br)c1 ZINC000413155244 532807302 /nfs/dbraw/zinc/80/73/02/532807302.db2.gz MBNRIOAOWDYCPR-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO Cc1cc(N2CC[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2=O)ccc1Br ZINC000287727957 532807921 /nfs/dbraw/zinc/80/79/21/532807921.db2.gz HGAYOUMRWZOJHU-AWEZNQCLSA-N 1 2 391.269 2.335 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)NCCCn1cc(Br)cn1 ZINC000287734939 532808458 /nfs/dbraw/zinc/80/84/58/532808458.db2.gz WCSJDHODPUXNDT-UHFFFAOYSA-N 1 2 381.278 2.232 20 0 GEADLO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCn2cc[nH+]c2C1 ZINC000329691447 532809892 /nfs/dbraw/zinc/80/98/92/532809892.db2.gz BXDITRVVNSNULT-LBPRGKRZSA-N 1 2 389.253 2.041 20 0 GEADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ncc(Br)cn3)[nH+]cn2)C1 ZINC000413307693 532810014 /nfs/dbraw/zinc/81/00/14/532810014.db2.gz YYYQISLTLHMHKP-SRVKXCTJSA-N 1 2 393.289 2.409 20 0 GEADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ncc(Br)cn3)nc[nH+]2)C1 ZINC000413307693 532810016 /nfs/dbraw/zinc/81/00/16/532810016.db2.gz YYYQISLTLHMHKP-SRVKXCTJSA-N 1 2 393.289 2.409 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000413330595 532810092 /nfs/dbraw/zinc/81/00/92/532810092.db2.gz RCWZAKBOQICSOX-UHFFFAOYSA-N 1 2 380.436 2.114 20 0 GEADLO Cc1nc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)cs1 ZINC000328827633 532798780 /nfs/dbraw/zinc/79/87/80/532798780.db2.gz JQWXWOYVUYLZPD-UHFFFAOYSA-N 1 2 392.428 2.376 20 0 GEADLO O=S(=O)(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(Cl)ccc1F ZINC000556371540 532811105 /nfs/dbraw/zinc/81/11/05/532811105.db2.gz JHZNCMNDNPABDL-LSDHHAIUSA-N 1 2 376.881 2.401 20 0 GEADLO Cc1nc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1Br ZINC000287569945 532799951 /nfs/dbraw/zinc/79/99/51/532799951.db2.gz NBHAKWIQANJEFB-WCQYABFASA-N 1 2 383.290 2.479 20 0 GEADLO Cc1nc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)sc1Br ZINC000329143451 532802709 /nfs/dbraw/zinc/80/27/09/532802709.db2.gz MEKHOZDNLMGZOE-MWLCHTKSSA-N 1 2 394.360 2.461 20 0 GEADLO Cc1nc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)sc1Br ZINC000329143451 532802713 /nfs/dbraw/zinc/80/27/13/532802713.db2.gz MEKHOZDNLMGZOE-MWLCHTKSSA-N 1 2 394.360 2.461 20 0 GEADLO Cc1nc(CNc2[nH+]cnc3c2c(Br)nn3C)ccc1[C@@H](C)O ZINC000271165843 532803784 /nfs/dbraw/zinc/80/37/84/532803784.db2.gz RYEAYZACBUOAMR-SECBINFHSA-N 1 2 377.246 2.495 20 0 GEADLO Cc1csc(C2([NH2+]Cc3cnn([C@]4(C)CCS(=O)(=O)C4)c3)CCC2)n1 ZINC000329256658 532804337 /nfs/dbraw/zinc/80/43/37/532804337.db2.gz DSDXBILFIGKNGJ-MRXNPFEDSA-N 1 2 380.539 2.351 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000413594937 532812660 /nfs/dbraw/zinc/81/26/60/532812660.db2.gz YQYAZGIPZVTFPE-UHFFFAOYSA-N 1 2 384.889 2.349 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000271794494 532811937 /nfs/dbraw/zinc/81/19/37/532811937.db2.gz OABHWYRMSPXDGW-UHFFFAOYSA-N 1 2 395.257 2.295 20 0 GEADLO CCOC(=O)C1(O)CC[NH+](Cc2cc(O)c(OC)cc2Br)CC1 ZINC000272220419 532813809 /nfs/dbraw/zinc/81/38/09/532813809.db2.gz BTRDLKCKSLWAHZ-UHFFFAOYSA-N 1 2 388.258 2.053 20 0 GEADLO CN(C(=O)[C@H]1Cc2cc(Br)ccc2O1)C(C)(C)C[NH+]1CCOCC1 ZINC000414034990 532817514 /nfs/dbraw/zinc/81/75/14/532817514.db2.gz BFXCYOWSXOWOEB-MRXNPFEDSA-N 1 2 397.313 2.322 20 0 GEADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)[NH+]1CCSCC1 ZINC000414032721 532817764 /nfs/dbraw/zinc/81/77/64/532817764.db2.gz JNLHROCGLIHEOC-CYBMUJFWSA-N 1 2 385.555 2.139 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000414004123 532816928 /nfs/dbraw/zinc/81/69/28/532816928.db2.gz KUTNDLNRQQLGJX-AWEZNQCLSA-N 1 2 399.676 2.189 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000414004123 532816930 /nfs/dbraw/zinc/81/69/30/532816930.db2.gz KUTNDLNRQQLGJX-AWEZNQCLSA-N 1 2 399.676 2.189 20 0 GEADLO CN1CC[NH+](C[C@@H](O)COc2cc(F)c(Br)cc2Cl)CC1 ZINC000414124236 532819332 /nfs/dbraw/zinc/81/93/32/532819332.db2.gz KJBQXHAAAKCBKM-SNVBAGLBSA-N 1 2 381.673 2.229 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C[C@@H]1C ZINC000330557564 532821103 /nfs/dbraw/zinc/82/11/03/532821103.db2.gz GBHJHPSQWGBDFE-RYUDHWBXSA-N 1 2 389.905 2.357 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C[C@@H]1C ZINC000330557564 532821104 /nfs/dbraw/zinc/82/11/04/532821104.db2.gz GBHJHPSQWGBDFE-RYUDHWBXSA-N 1 2 389.905 2.357 20 0 GEADLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@H](C)O1 ZINC000330666835 532824605 /nfs/dbraw/zinc/82/46/05/532824605.db2.gz IIOCGVWJRZOTQF-QWRGUYRKSA-N 1 2 382.860 2.396 20 0 GEADLO Cc1nc(N2CCN(c3ncccc3I)CC2)cc[nH+]1 ZINC000273459441 532824739 /nfs/dbraw/zinc/82/47/39/532824739.db2.gz GFSZYVPOTNADJP-UHFFFAOYSA-N 1 2 381.221 2.111 20 0 GEADLO Cc1cccc2[nH+]c(CS(=O)(=O)Cc3nn(C)cc3Br)cn21 ZINC000414413875 532825450 /nfs/dbraw/zinc/82/54/50/532825450.db2.gz NDOXUIIVNCYTEC-UHFFFAOYSA-N 1 2 383.271 2.254 20 0 GEADLO Cc1nnc([C@H](C)[NH2+]CC(=O)N(C)CC(=O)Nc2ccccc2Cl)s1 ZINC000273582905 532826882 /nfs/dbraw/zinc/82/68/82/532826882.db2.gz HWZWGIZDURIGJX-JTQLQIEISA-N 1 2 381.889 2.248 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000330854862 532828006 /nfs/dbraw/zinc/82/80/06/532828006.db2.gz HOXAEUHOBQWULB-NEPJUHHUSA-N 1 2 389.315 2.143 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000330854862 532828008 /nfs/dbraw/zinc/82/80/08/532828008.db2.gz HOXAEUHOBQWULB-NEPJUHHUSA-N 1 2 389.315 2.143 20 0 GEADLO COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2nc(C[NH+](C)C)cs2)c1 ZINC000414453421 532828218 /nfs/dbraw/zinc/82/82/18/532828218.db2.gz CWLAHMZCYAYPET-UHFFFAOYSA-N 1 2 383.495 2.409 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cccc(Br)c1F)Cn1cc[nH+]c1 ZINC000414468173 532829594 /nfs/dbraw/zinc/82/95/94/532829594.db2.gz JUMYLDPPWJJELF-SNVBAGLBSA-N 1 2 376.251 2.399 20 0 GEADLO C[NH2+]Cc1noc(CN2CCN(Cc3ccc(Br)cc3F)CC2)n1 ZINC000414507857 532832069 /nfs/dbraw/zinc/83/20/69/532832069.db2.gz ZOISNKZKFHZRSU-UHFFFAOYSA-N 1 2 398.280 2.008 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(Br)c1O ZINC000273709853 532832171 /nfs/dbraw/zinc/83/21/71/532832171.db2.gz FWXZJRIMIJZZBH-CYBMUJFWSA-N 1 2 385.302 2.317 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c(Br)c1O ZINC000273709853 532832174 /nfs/dbraw/zinc/83/21/74/532832174.db2.gz FWXZJRIMIJZZBH-CYBMUJFWSA-N 1 2 385.302 2.317 20 0 GEADLO C[C@H]1C[C@@H](CO)CC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000288587263 532832540 /nfs/dbraw/zinc/83/25/40/532832540.db2.gz CTWMTRHTHOUAKF-STQMWFEESA-N 1 2 376.316 2.316 20 0 GEADLO C[C@H]1C[C@@H](CO)CC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000288587263 532832543 /nfs/dbraw/zinc/83/25/43/532832543.db2.gz CTWMTRHTHOUAKF-STQMWFEESA-N 1 2 376.316 2.316 20 0 GEADLO CC(=O)Nc1ncc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)s1 ZINC000288604535 532832910 /nfs/dbraw/zinc/83/29/10/532832910.db2.gz OIUYATQXKYIPPJ-UHFFFAOYSA-N 1 2 380.373 2.254 20 0 GEADLO C[C@H](CNS(=O)(=O)c1c(Cl)cc(F)cc1Cl)C[NH+]1CCOCC1 ZINC000331228723 532836048 /nfs/dbraw/zinc/83/60/48/532836048.db2.gz OOFCNMDACRVLRU-SNVBAGLBSA-N 1 2 385.288 2.379 20 0 GEADLO O=c1nc([C@H]2CCC[N@@H+](Cc3nc4cc(Br)ccc4o3)C2)[nH][nH]1 ZINC000288776002 532838298 /nfs/dbraw/zinc/83/82/98/532838298.db2.gz BILHOZNHBCDMHW-VIFPVBQESA-N 1 2 378.230 2.381 20 0 GEADLO O=c1nc([C@H]2CCC[N@H+](Cc3nc4cc(Br)ccc4o3)C2)[nH][nH]1 ZINC000288776002 532838300 /nfs/dbraw/zinc/83/83/00/532838300.db2.gz BILHOZNHBCDMHW-VIFPVBQESA-N 1 2 378.230 2.381 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C[C@@H]1C ZINC000331340418 532838327 /nfs/dbraw/zinc/83/83/27/532838327.db2.gz XGRZSJZVCUCOOR-NWDGAFQWSA-N 1 2 376.906 2.460 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C[C@@H]1C ZINC000331340418 532838328 /nfs/dbraw/zinc/83/83/28/532838328.db2.gz XGRZSJZVCUCOOR-NWDGAFQWSA-N 1 2 376.906 2.460 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](S(C)(=O)=O)C1)c1ccsc1 ZINC000274009064 532839214 /nfs/dbraw/zinc/83/92/14/532839214.db2.gz GKRKQNPRXBVAIG-JKSUJKDBSA-N 1 2 387.571 2.350 20 0 GEADLO Cc1nc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c(Br)s1 ZINC000331418527 532839305 /nfs/dbraw/zinc/83/93/05/532839305.db2.gz OPMLZUKERRAVFY-UHFFFAOYSA-N 1 2 397.298 2.376 20 0 GEADLO Cc1nc(N2CCN(C(=O)c3[nH]nc(C4CC4)c3Br)CC2)cc[nH+]1 ZINC000274015508 532839478 /nfs/dbraw/zinc/83/94/78/532839478.db2.gz QXXQJNUXYABIML-UHFFFAOYSA-N 1 2 391.273 2.110 20 0 GEADLO COCc1cc(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)no1 ZINC000274035799 532839603 /nfs/dbraw/zinc/83/96/03/532839603.db2.gz SOECRSPXVKCDLO-UHFFFAOYSA-N 1 2 379.214 2.470 20 0 GEADLO CC(C)[C@H]([NH3+])CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000415242479 532839747 /nfs/dbraw/zinc/83/97/47/532839747.db2.gz ILIPTZUCGNMQTF-CYBMUJFWSA-N 1 2 383.499 2.049 20 0 GEADLO CC[NH2+][C@H](C)CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000415249607 532839986 /nfs/dbraw/zinc/83/99/86/532839986.db2.gz YYUJGHLZVNIBCV-LLVKDONJSA-N 1 2 383.499 2.063 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H](NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)CCO1 ZINC000328617655 206233224 /nfs/dbraw/zinc/23/32/24/206233224.db2.gz CZASRRLAYUEVRL-BEFAXECRSA-N 1 2 390.509 2.001 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000359892164 206268046 /nfs/dbraw/zinc/26/80/46/206268046.db2.gz AIHXIYLYVFEBSF-LBPRGKRZSA-N 1 2 375.230 2.203 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000359956845 206273332 /nfs/dbraw/zinc/27/33/32/206273332.db2.gz FVGCEAWJFPMXDD-UHFFFAOYSA-N 1 2 388.295 2.043 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000359956845 206273335 /nfs/dbraw/zinc/27/33/35/206273335.db2.gz FVGCEAWJFPMXDD-UHFFFAOYSA-N 1 2 388.295 2.043 20 0 GEADLO COC(=O)COc1c(C)cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc1C ZINC000359999962 206277978 /nfs/dbraw/zinc/27/79/78/206277978.db2.gz PYMKUWKLWHIHPC-IAGOWNOFSA-N 1 2 379.453 2.008 20 0 GEADLO COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc1C ZINC000359999962 206277980 /nfs/dbraw/zinc/27/79/80/206277980.db2.gz PYMKUWKLWHIHPC-IAGOWNOFSA-N 1 2 379.453 2.008 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000331920182 532846320 /nfs/dbraw/zinc/84/63/20/532846320.db2.gz JIXGVIUXLZPAPF-CYBMUJFWSA-N 1 2 392.301 2.332 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000274304890 532847652 /nfs/dbraw/zinc/84/76/52/532847652.db2.gz DHEWFYHFAGXWGU-AWEZNQCLSA-N 1 2 382.917 2.287 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000274304890 532847654 /nfs/dbraw/zinc/84/76/54/532847654.db2.gz DHEWFYHFAGXWGU-AWEZNQCLSA-N 1 2 382.917 2.287 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000332082538 532848606 /nfs/dbraw/zinc/84/86/06/532848606.db2.gz ABUSWCRXUVOHFD-UHFFFAOYSA-N 1 2 399.285 2.361 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000332082538 532848608 /nfs/dbraw/zinc/84/86/08/532848608.db2.gz ABUSWCRXUVOHFD-UHFFFAOYSA-N 1 2 399.285 2.361 20 0 GEADLO C[NH+]1CCN(C(=O)CSc2nnc(-c3ccccc3Br)o2)CC1 ZINC000332249540 532850278 /nfs/dbraw/zinc/85/02/78/532850278.db2.gz BZUWRIBABHGAFY-UHFFFAOYSA-N 1 2 397.298 2.365 20 0 GEADLO CC(C)(C)CS(=O)(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000332252190 532850975 /nfs/dbraw/zinc/85/09/75/532850975.db2.gz RKEAWAIOXVZEHX-UHFFFAOYSA-N 1 2 384.933 2.481 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c(Br)c(C)nn2C)C1 ZINC000289262589 532851217 /nfs/dbraw/zinc/85/12/17/532851217.db2.gz FSCLOOKXUREVGD-LBPRGKRZSA-N 1 2 384.196 2.418 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(Br)c(C)nn2C)C1 ZINC000289262589 532851221 /nfs/dbraw/zinc/85/12/21/532851221.db2.gz FSCLOOKXUREVGD-LBPRGKRZSA-N 1 2 384.196 2.418 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000289368907 532853357 /nfs/dbraw/zinc/85/33/57/532853357.db2.gz IBZNNMOPCMLZIS-CQSZACIVSA-N 1 2 386.901 2.111 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000289368907 532853360 /nfs/dbraw/zinc/85/33/60/532853360.db2.gz IBZNNMOPCMLZIS-CQSZACIVSA-N 1 2 386.901 2.111 20 0 GEADLO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289407526 532854170 /nfs/dbraw/zinc/85/41/70/532854170.db2.gz LNIXAKPGNSXDQL-JTQLQIEISA-N 1 2 391.273 2.127 20 0 GEADLO Cn1c2cc(Br)ccc2nc1C[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289407526 532854173 /nfs/dbraw/zinc/85/41/73/532854173.db2.gz LNIXAKPGNSXDQL-JTQLQIEISA-N 1 2 391.273 2.127 20 0 GEADLO O=S(=O)(Cc1cccc(Br)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000332516728 532856791 /nfs/dbraw/zinc/85/67/91/532856791.db2.gz NAHIMTJWDPRSSQ-UHFFFAOYSA-N 1 2 396.310 2.496 20 0 GEADLO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000332511288 532856898 /nfs/dbraw/zinc/85/68/98/532856898.db2.gz MJKRTKSSKPOFPT-UHFFFAOYSA-N 1 2 389.308 2.364 20 0 GEADLO COc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc(OC)c1Br ZINC000332506984 532856703 /nfs/dbraw/zinc/85/67/03/532856703.db2.gz ILXSMBTWPCYNHG-STQMWFEESA-N 1 2 399.285 2.011 20 0 GEADLO COc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc(OC)c1Br ZINC000332506984 532856704 /nfs/dbraw/zinc/85/67/04/532856704.db2.gz ILXSMBTWPCYNHG-STQMWFEESA-N 1 2 399.285 2.011 20 0 GEADLO CN1CCN(c2cc(NCc3cc(Br)cs3)[nH+]cn2)CC1=O ZINC000274822415 532857074 /nfs/dbraw/zinc/85/70/74/532857074.db2.gz PXQIYSVVVWTXHW-UHFFFAOYSA-N 1 2 382.287 2.191 20 0 GEADLO CN1CCN(c2cc(NCc3cc(Br)cs3)nc[nH+]2)CC1=O ZINC000274822415 532857077 /nfs/dbraw/zinc/85/70/77/532857077.db2.gz PXQIYSVVVWTXHW-UHFFFAOYSA-N 1 2 382.287 2.191 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000332642551 532859315 /nfs/dbraw/zinc/85/93/15/532859315.db2.gz YZQHBRBOJIXMQS-LLVKDONJSA-N 1 2 380.286 2.039 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000332642551 532859317 /nfs/dbraw/zinc/85/93/17/532859317.db2.gz YZQHBRBOJIXMQS-LLVKDONJSA-N 1 2 380.286 2.039 20 0 GEADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1c[nH]cc(Br)c1=O ZINC000332685680 532860174 /nfs/dbraw/zinc/86/01/74/532860174.db2.gz UCEYICXSLGPSMW-GHMZBOCLSA-N 1 2 377.242 2.243 20 0 GEADLO CC[C@@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000333050000 532863253 /nfs/dbraw/zinc/86/32/53/532863253.db2.gz BJOFIBJUVOLHRE-GFCCVEGCSA-N 1 2 399.289 2.323 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000289710583 532863915 /nfs/dbraw/zinc/86/39/15/532863915.db2.gz GFYPXZQJHVIKEE-UHFFFAOYSA-N 1 2 382.814 2.091 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N[C@@H]1CCCC[C@H]1O ZINC000333201411 532865779 /nfs/dbraw/zinc/86/57/79/532865779.db2.gz RIGPLLOKBFALAV-TZMCWYRMSA-N 1 2 399.289 2.106 20 0 GEADLO CC[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)C[C@H](C)S1(=O)=O ZINC000289940798 532868437 /nfs/dbraw/zinc/86/84/37/532868437.db2.gz XDMSXIVVQYFBJR-SMDDNHRTSA-N 1 2 386.315 2.494 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+](CCO)C[C@@H](C)O)nc1-c1ccc(Cl)cc1 ZINC000290007072 532869950 /nfs/dbraw/zinc/86/99/50/532869950.db2.gz ZKZHZINGFBPUQN-LLVKDONJSA-N 1 2 383.901 2.386 20 0 GEADLO Cc1sc(NC(=O)C[N@H+](CCO)C[C@@H](C)O)nc1-c1ccc(Cl)cc1 ZINC000290007072 532869955 /nfs/dbraw/zinc/86/99/55/532869955.db2.gz ZKZHZINGFBPUQN-LLVKDONJSA-N 1 2 383.901 2.386 20 0 GEADLO COc1cc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)sc1Br ZINC000416315398 532870335 /nfs/dbraw/zinc/87/03/35/532870335.db2.gz URVZBUZHYOHDSC-UWVGGRQHSA-N 1 2 377.304 2.046 20 0 GEADLO COc1cc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)sc1Br ZINC000416315398 532870337 /nfs/dbraw/zinc/87/03/37/532870337.db2.gz URVZBUZHYOHDSC-UWVGGRQHSA-N 1 2 377.304 2.046 20 0 GEADLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)Nc2nnc(C(F)(F)F)s2)CCO1 ZINC000275270765 532870368 /nfs/dbraw/zinc/87/03/68/532870368.db2.gz JIYDGBOBTWUMDW-IONNQARKSA-N 1 2 376.364 2.332 20 0 GEADLO O=S(=O)(c1cccc2nsnc21)N1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000333578598 532870840 /nfs/dbraw/zinc/87/08/40/532870840.db2.gz RAPXFSKCLMSRCN-UHFFFAOYSA-N 1 2 388.465 2.043 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000333642971 532871473 /nfs/dbraw/zinc/87/14/73/532871473.db2.gz JEFYARJRIVIAQA-RISCZKNCSA-N 1 2 383.290 2.479 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333751986 532872805 /nfs/dbraw/zinc/87/28/05/532872805.db2.gz NIILHWOOYRJOPD-QJPTWQEYSA-N 1 2 394.269 2.234 20 0 GEADLO O=C1CCC(C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000290153484 532873806 /nfs/dbraw/zinc/87/38/06/532873806.db2.gz WVFRDURNGKWNKC-UHFFFAOYSA-N 1 2 376.931 2.467 20 0 GEADLO CCOc1ccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)cc1Br ZINC000290316067 532878183 /nfs/dbraw/zinc/87/81/83/532878183.db2.gz KIKSCZMDUZZSHI-UHFFFAOYSA-N 1 2 393.241 2.025 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)c(Br)c1 ZINC000290339638 532878504 /nfs/dbraw/zinc/87/85/04/532878504.db2.gz MWMUXOFWIWXUSY-UHFFFAOYSA-N 1 2 377.242 2.243 20 0 GEADLO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290351140 532879212 /nfs/dbraw/zinc/87/92/12/532879212.db2.gz NXCCOZNZOUZOQF-UHFFFAOYSA-N 1 2 393.241 2.025 20 0 GEADLO COc1cc(C)c(Br)cc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000275578447 532879247 /nfs/dbraw/zinc/87/92/47/532879247.db2.gz DEJZHRANMNVOIW-UHFFFAOYSA-N 1 2 395.257 2.097 20 0 GEADLO O=S(=O)(c1ccc(F)cc1)N1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000021161624 207226789 /nfs/dbraw/zinc/22/67/89/207226789.db2.gz WWPHHGFNVIPSMF-UHFFFAOYSA-N 1 2 386.452 2.275 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2csc(Br)c2)C1 ZINC000275607416 532880203 /nfs/dbraw/zinc/88/02/03/532880203.db2.gz IKNLVODAJJFBTB-NSHDSACASA-N 1 2 396.314 2.229 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2csc(Br)c2)C1 ZINC000275607416 532880206 /nfs/dbraw/zinc/88/02/06/532880206.db2.gz IKNLVODAJJFBTB-NSHDSACASA-N 1 2 396.314 2.229 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000276061483 532888283 /nfs/dbraw/zinc/88/82/83/532888283.db2.gz QDOFUWWOFIZVIJ-UHFFFAOYSA-N 1 2 379.463 2.278 20 0 GEADLO COC(=O)CCCCCS(=O)(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000276178185 532890283 /nfs/dbraw/zinc/89/02/83/532890283.db2.gz ACFYGGSRASVUHK-AWEZNQCLSA-N 1 2 388.555 2.148 20 0 GEADLO COC(=O)CCCCCS(=O)(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000276178185 532890287 /nfs/dbraw/zinc/89/02/87/532890287.db2.gz ACFYGGSRASVUHK-AWEZNQCLSA-N 1 2 388.555 2.148 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCCOC1)[C@H]1SCCc2sccc21 ZINC000361305451 532893298 /nfs/dbraw/zinc/89/32/98/532893298.db2.gz YBAWJFCJYINZPY-FUHWJXTLSA-N 1 2 382.551 2.076 20 0 GEADLO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)c(C(C)=O)c2)CC1 ZINC000362035668 532894960 /nfs/dbraw/zinc/89/49/60/532894960.db2.gz DKMGPKBIGVPLFF-UHFFFAOYSA-N 1 2 389.315 2.368 20 0 GEADLO CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)c(C(C)=O)c2)CC1 ZINC000362035668 532894962 /nfs/dbraw/zinc/89/49/62/532894962.db2.gz DKMGPKBIGVPLFF-UHFFFAOYSA-N 1 2 389.315 2.368 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2nccs2)C1)Nc1cccnc1Cl ZINC000361921410 532894294 /nfs/dbraw/zinc/89/42/94/532894294.db2.gz HVPZTYFSLBSNSK-NSHDSACASA-N 1 2 379.873 2.481 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2nccs2)C1)Nc1cccnc1Cl ZINC000361921410 532894298 /nfs/dbraw/zinc/89/42/98/532894298.db2.gz HVPZTYFSLBSNSK-NSHDSACASA-N 1 2 379.873 2.481 20 0 GEADLO CC(C)[N@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@H]1CCOC1 ZINC000291150278 532896976 /nfs/dbraw/zinc/89/69/76/532896976.db2.gz AGYGSHOBEBPJEG-LBPRGKRZSA-N 1 2 376.425 2.121 20 0 GEADLO CC(C)[N@@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@H]1CCOC1 ZINC000291150278 532896977 /nfs/dbraw/zinc/89/69/77/532896977.db2.gz AGYGSHOBEBPJEG-LBPRGKRZSA-N 1 2 376.425 2.121 20 0 GEADLO CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)c1[nH]cc[nH+]1 ZINC000276489314 532897088 /nfs/dbraw/zinc/89/70/88/532897088.db2.gz GDPQNIGZDGZKJY-SMDDNHRTSA-N 1 2 384.889 2.243 20 0 GEADLO O=C(c1ncc(Br)cc1Br)N1CCn2c[nH+]cc2C1 ZINC000291184389 532898026 /nfs/dbraw/zinc/89/80/26/532898026.db2.gz SUEGFYLADHRSSE-UHFFFAOYSA-N 1 2 386.047 2.459 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccc(Br)cc1C)CC2 ZINC000363669043 532900168 /nfs/dbraw/zinc/90/01/68/532900168.db2.gz BCURSZUDEFQCJK-UHFFFAOYSA-N 1 2 377.242 2.243 20 0 GEADLO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000276808291 532901435 /nfs/dbraw/zinc/90/14/35/532901435.db2.gz SIJIAUCODJGUGY-UHFFFAOYSA-N 1 2 389.283 2.415 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)NC[C@H](CO)Cc1ccccc1Br ZINC000276932197 532904026 /nfs/dbraw/zinc/90/40/26/532904026.db2.gz AHZRMXONMICKSV-CQSZACIVSA-N 1 2 395.301 2.186 20 0 GEADLO O=C(NC[C@H]1CCC[N@@H+](Cc2cnc(C3OCCO3)s2)C1)C(F)(F)F ZINC000291577025 532904468 /nfs/dbraw/zinc/90/44/68/532904468.db2.gz OLHCYLYHKDQRMB-SNVBAGLBSA-N 1 2 379.404 2.079 20 0 GEADLO O=S(=O)(Nc1cnn(C2CC[NH+](Cc3cncs3)CC2)c1)C(F)F ZINC000364218314 532904715 /nfs/dbraw/zinc/90/47/15/532904715.db2.gz NQCIJSZKEZUKNB-UHFFFAOYSA-N 1 2 377.442 2.141 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1nc(C2CC2)ncc1Br ZINC000291673013 532906705 /nfs/dbraw/zinc/90/67/05/532906705.db2.gz CVHXUEWOOOJUMJ-YPMHNXCESA-N 1 2 395.301 2.052 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000364654187 532907429 /nfs/dbraw/zinc/90/74/29/532907429.db2.gz MLPBGZPSRHNJGC-IKGGRYGDSA-N 1 2 394.313 2.451 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000364654187 532907431 /nfs/dbraw/zinc/90/74/31/532907431.db2.gz MLPBGZPSRHNJGC-IKGGRYGDSA-N 1 2 394.313 2.451 20 0 GEADLO Cc1cnc(Br)c(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000292014265 532911949 /nfs/dbraw/zinc/91/19/49/532911949.db2.gz IZYHPWGDVMHSQW-STQMWFEESA-N 1 2 383.290 2.479 20 0 GEADLO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000365871631 532912881 /nfs/dbraw/zinc/91/28/81/532912881.db2.gz RCYKZVTTYUKDEM-CYBMUJFWSA-N 1 2 386.279 2.253 20 0 GEADLO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000365871631 532912882 /nfs/dbraw/zinc/91/28/82/532912882.db2.gz RCYKZVTTYUKDEM-CYBMUJFWSA-N 1 2 386.279 2.253 20 0 GEADLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000292403919 532916057 /nfs/dbraw/zinc/91/60/57/532916057.db2.gz YZXKVADPCFZSCH-LLVKDONJSA-N 1 2 390.299 2.087 20 0 GEADLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000292403919 532916058 /nfs/dbraw/zinc/91/60/58/532916058.db2.gz YZXKVADPCFZSCH-LLVKDONJSA-N 1 2 390.299 2.087 20 0 GEADLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000292403921 532916080 /nfs/dbraw/zinc/91/60/80/532916080.db2.gz YZXKVADPCFZSCH-NSHDSACASA-N 1 2 390.299 2.087 20 0 GEADLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000292403921 532916081 /nfs/dbraw/zinc/91/60/81/532916081.db2.gz YZXKVADPCFZSCH-NSHDSACASA-N 1 2 390.299 2.087 20 0 GEADLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000292109453 532913369 /nfs/dbraw/zinc/91/33/69/532913369.db2.gz FTNRUJNJXGKSPD-JTQLQIEISA-N 1 2 376.272 2.044 20 0 GEADLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000292109453 532913370 /nfs/dbraw/zinc/91/33/70/532913370.db2.gz FTNRUJNJXGKSPD-JTQLQIEISA-N 1 2 376.272 2.044 20 0 GEADLO O=S(=O)(c1ccc(CN2CC[NH+]([C@@H]3CCSC3)CC2)cc1)C(F)F ZINC000366065850 532914207 /nfs/dbraw/zinc/91/42/07/532914207.db2.gz GKQFQVZHUPTTSK-CQSZACIVSA-N 1 2 376.494 2.306 20 0 GEADLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000366376881 532916632 /nfs/dbraw/zinc/91/66/32/532916632.db2.gz KYXCRJZODJIIFR-OAHLLOKOSA-N 1 2 383.901 2.137 20 0 GEADLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000366376881 532916634 /nfs/dbraw/zinc/91/66/34/532916634.db2.gz KYXCRJZODJIIFR-OAHLLOKOSA-N 1 2 383.901 2.137 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000366428543 532917310 /nfs/dbraw/zinc/91/73/10/532917310.db2.gz IDRZDIIPCIGYKL-YUMQZZPRSA-N 1 2 390.654 2.180 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000366428543 532917311 /nfs/dbraw/zinc/91/73/11/532917311.db2.gz IDRZDIIPCIGYKL-YUMQZZPRSA-N 1 2 390.654 2.180 20 0 GEADLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000292687985 532917464 /nfs/dbraw/zinc/91/74/64/532917464.db2.gz BCWRPPSPQZMPJW-NSHDSACASA-N 1 2 390.299 2.087 20 0 GEADLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000292687985 532917465 /nfs/dbraw/zinc/91/74/65/532917465.db2.gz BCWRPPSPQZMPJW-NSHDSACASA-N 1 2 390.299 2.087 20 0 GEADLO O=S(=O)(C1CC[NH+](Cc2cccc(Br)n2)CC1)N1CCCC1 ZINC000292767119 532918007 /nfs/dbraw/zinc/91/80/07/532918007.db2.gz IONAHUZKJCQFNV-UHFFFAOYSA-N 1 2 388.331 2.234 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1 ZINC000366510718 532918394 /nfs/dbraw/zinc/91/83/94/532918394.db2.gz WCPFEUXNUGMKKX-ZDUSSCGKSA-N 1 2 388.917 2.010 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000366510718 532918396 /nfs/dbraw/zinc/91/83/96/532918396.db2.gz WCPFEUXNUGMKKX-ZDUSSCGKSA-N 1 2 388.917 2.010 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000366639336 532919632 /nfs/dbraw/zinc/91/96/32/532919632.db2.gz IDYNVOPZVCKVIM-LBPRGKRZSA-N 1 2 378.274 2.315 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000366639336 532919633 /nfs/dbraw/zinc/91/96/33/532919633.db2.gz IDYNVOPZVCKVIM-LBPRGKRZSA-N 1 2 378.274 2.315 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@@H]2N1 ZINC000366775226 532921086 /nfs/dbraw/zinc/92/10/86/532921086.db2.gz MMIUVECZAVOJRZ-AAEUAGOBSA-N 1 2 391.212 2.140 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@@H]2N1 ZINC000366775226 532921087 /nfs/dbraw/zinc/92/10/87/532921087.db2.gz MMIUVECZAVOJRZ-AAEUAGOBSA-N 1 2 391.212 2.140 20 0 GEADLO CCn1nc(C)c(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000293343284 532925593 /nfs/dbraw/zinc/92/55/93/532925593.db2.gz ATRAFVHCMLYSSH-UHFFFAOYSA-N 1 2 377.246 2.255 20 0 GEADLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000367756084 532926996 /nfs/dbraw/zinc/92/69/96/532926996.db2.gz DAVHSLVQZGJWRK-AEGPPILISA-N 1 2 385.555 2.337 20 0 GEADLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000367756084 532926997 /nfs/dbraw/zinc/92/69/97/532926997.db2.gz DAVHSLVQZGJWRK-AEGPPILISA-N 1 2 385.555 2.337 20 0 GEADLO NC(=O)C[C@@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000367943849 532928834 /nfs/dbraw/zinc/92/88/34/532928834.db2.gz JFOAXVAUMPUUFO-SUMWQHHRSA-N 1 2 394.313 2.310 20 0 GEADLO O=C(Nc1ccc(Br)cc1Cl)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367986817 532928950 /nfs/dbraw/zinc/92/89/50/532928950.db2.gz KOMOCEHPOQGMMU-VIFPVBQESA-N 1 2 397.660 2.438 20 0 GEADLO O=C(Nc1ccc(Br)cc1Cl)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367986817 532928952 /nfs/dbraw/zinc/92/89/52/532928952.db2.gz KOMOCEHPOQGMMU-VIFPVBQESA-N 1 2 397.660 2.438 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000367999677 532929285 /nfs/dbraw/zinc/92/92/85/532929285.db2.gz DLSFLLLMHPULNZ-UHFFFAOYSA-N 1 2 390.248 2.181 20 0 GEADLO OCc1cn([C@@H]2CCC[N@H+](Cc3cccc(I)c3)C2)nn1 ZINC000293644875 532929778 /nfs/dbraw/zinc/92/97/78/532929778.db2.gz MMWMXHGHXAOJLU-OAHLLOKOSA-N 1 2 398.248 2.212 20 0 GEADLO OCc1cn([C@@H]2CCC[N@@H+](Cc3cccc(I)c3)C2)nn1 ZINC000293644875 532929780 /nfs/dbraw/zinc/92/97/80/532929780.db2.gz MMWMXHGHXAOJLU-OAHLLOKOSA-N 1 2 398.248 2.212 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000368063962 532930018 /nfs/dbraw/zinc/93/00/18/532930018.db2.gz OUHMQJGZANIANE-KOLCDFICSA-N 1 2 375.778 2.365 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000368063962 532930019 /nfs/dbraw/zinc/93/00/19/532930019.db2.gz OUHMQJGZANIANE-KOLCDFICSA-N 1 2 375.778 2.365 20 0 GEADLO CC(=O)N1CC[NH+](C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000293360187 532925872 /nfs/dbraw/zinc/92/58/72/532925872.db2.gz FASPGBONDDEIAB-HNNXBMFYSA-N 1 2 375.694 2.474 20 0 GEADLO Brc1ccc(-c2c[nH]c(C[N@@H+]3CCN4CCOC[C@@H]4C3)n2)cc1 ZINC000368285612 532931169 /nfs/dbraw/zinc/93/11/69/532931169.db2.gz WJXCMIBJHQLBQA-HNNXBMFYSA-N 1 2 377.286 2.356 20 0 GEADLO Brc1ccc(-c2c[nH]c(C[N@H+]3CCN4CCOC[C@@H]4C3)n2)cc1 ZINC000368285612 532931170 /nfs/dbraw/zinc/93/11/70/532931170.db2.gz WJXCMIBJHQLBQA-HNNXBMFYSA-N 1 2 377.286 2.356 20 0 GEADLO C[C@H](C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCN(C)CC1 ZINC000294013445 532934821 /nfs/dbraw/zinc/93/48/21/532934821.db2.gz IUQAWJSHEPABBU-GFCCVEGCSA-N 1 2 387.311 2.074 20 0 GEADLO O=C([C@@H]1CCCO1)N1CCC[N@@H+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000368902294 532935419 /nfs/dbraw/zinc/93/54/19/532935419.db2.gz SIZAPULSQBUCDR-IRXDYDNUSA-N 1 2 397.313 2.196 20 0 GEADLO O=C([C@@H]1CCCO1)N1CCC[N@H+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000368902294 532935420 /nfs/dbraw/zinc/93/54/20/532935420.db2.gz SIZAPULSQBUCDR-IRXDYDNUSA-N 1 2 397.313 2.196 20 0 GEADLO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ncc(Br)cc1F ZINC000368750963 532934145 /nfs/dbraw/zinc/93/41/45/532934145.db2.gz QDXRJUHVLXMVFG-IINYFYTJSA-N 1 2 386.265 2.414 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2nn(C)cc2Br)CC1 ZINC000294026071 532934770 /nfs/dbraw/zinc/93/47/70/532934770.db2.gz FFIAWYVXGVJDPN-LBPRGKRZSA-N 1 2 378.274 2.097 20 0 GEADLO C[N@@H+]1CCC[C@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000369079749 532936709 /nfs/dbraw/zinc/93/67/09/532936709.db2.gz XNXGOJSVBJKDBO-ZBFHGGJFSA-N 1 2 384.929 2.416 20 0 GEADLO C[N@H+]1CCC[C@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000369079749 532936710 /nfs/dbraw/zinc/93/67/10/532936710.db2.gz XNXGOJSVBJKDBO-ZBFHGGJFSA-N 1 2 384.929 2.416 20 0 GEADLO CNS(=O)(=O)CC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000294357819 532938362 /nfs/dbraw/zinc/93/83/62/532938362.db2.gz QCYJKATXDGFSKK-CQSZACIVSA-N 1 2 391.262 2.409 20 0 GEADLO O=C(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)N1CCC[C@@H]1c1ccsc1 ZINC000370275092 532942823 /nfs/dbraw/zinc/94/28/23/532942823.db2.gz MCZOHBZUADKSMS-UONOGXRCSA-N 1 2 380.432 2.019 20 0 GEADLO O=C(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)N1CCC[C@@H]1c1ccsc1 ZINC000370275092 532942824 /nfs/dbraw/zinc/94/28/24/532942824.db2.gz MCZOHBZUADKSMS-UONOGXRCSA-N 1 2 380.432 2.019 20 0 GEADLO O=C(Nc1ccccc1Br)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000370353020 532943138 /nfs/dbraw/zinc/94/31/38/532943138.db2.gz HYAUNGRLWADJAV-OAHLLOKOSA-N 1 2 395.301 2.267 20 0 GEADLO Cn1ncc2c1nc[nH+]c2N1CCC(O)(c2scnc2Br)CC1 ZINC000369796512 532940840 /nfs/dbraw/zinc/94/08/40/532940840.db2.gz OQXUJGKBHJEIGM-UHFFFAOYSA-N 1 2 395.286 2.070 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000370755320 532945247 /nfs/dbraw/zinc/94/52/47/532945247.db2.gz DXLMWPGQAGOCFS-AWEZNQCLSA-N 1 2 396.329 2.223 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000370755320 532945248 /nfs/dbraw/zinc/94/52/48/532945248.db2.gz DXLMWPGQAGOCFS-AWEZNQCLSA-N 1 2 396.329 2.223 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)cc1Br ZINC000370879726 532945823 /nfs/dbraw/zinc/94/58/23/532945823.db2.gz XSANROWYJCSWGY-UHFFFAOYSA-N 1 2 379.258 2.276 20 0 GEADLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cc4c(cc3C)OCO4)sc2C1 ZINC000370553682 532944208 /nfs/dbraw/zinc/94/42/08/532944208.db2.gz IRSRARFECCKIIY-UHFFFAOYSA-N 1 2 381.479 2.359 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000371326346 532947533 /nfs/dbraw/zinc/94/75/33/532947533.db2.gz IICWLGVBYYYOGH-CQSZACIVSA-N 1 2 382.917 2.254 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000371326346 532947534 /nfs/dbraw/zinc/94/75/34/532947534.db2.gz IICWLGVBYYYOGH-CQSZACIVSA-N 1 2 382.917 2.254 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000371323965 532947615 /nfs/dbraw/zinc/94/76/15/532947615.db2.gz SNJJQEGFMDTZBF-JTQLQIEISA-N 1 2 388.262 2.500 20 0 GEADLO O=C(C=Cc1ccc(I)o1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371450171 532948214 /nfs/dbraw/zinc/94/82/14/532948214.db2.gz YOAGRDCUOCJBGR-BSPAPZMXSA-N 1 2 383.189 2.294 20 0 GEADLO O=C(C=Cc1ccc(I)o1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371450171 532948215 /nfs/dbraw/zinc/94/82/15/532948215.db2.gz YOAGRDCUOCJBGR-BSPAPZMXSA-N 1 2 383.189 2.294 20 0 GEADLO Cn1cnnc1SCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000371077679 532946856 /nfs/dbraw/zinc/94/68/56/532946856.db2.gz TYUNCLZRUYUPRS-DZGCQCFKSA-N 1 2 383.880 2.261 20 0 GEADLO Cn1cnnc1SCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000371077679 532946857 /nfs/dbraw/zinc/94/68/57/532946857.db2.gz TYUNCLZRUYUPRS-DZGCQCFKSA-N 1 2 383.880 2.261 20 0 GEADLO O=C(CNC(=O)c1cccc(Br)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371173076 532947109 /nfs/dbraw/zinc/94/71/09/532947109.db2.gz DNHJQANEVBXYIH-UHFFFAOYSA-N 1 2 391.269 2.308 20 0 GEADLO O=C(CNC(=O)c1cccc(Br)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371173076 532947110 /nfs/dbraw/zinc/94/71/10/532947110.db2.gz DNHJQANEVBXYIH-UHFFFAOYSA-N 1 2 391.269 2.308 20 0 GEADLO C[C@@H](NC(=O)[C@@]1([NH+](C)C)CCCSC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000371199875 532947289 /nfs/dbraw/zinc/94/72/89/532947289.db2.gz XNYGAYJAPNLHJH-SJKOYZFVSA-N 1 2 388.530 2.234 20 0 GEADLO C[NH+](C)[C@@]1(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCCSC1 ZINC000371249545 532947385 /nfs/dbraw/zinc/94/73/85/532947385.db2.gz KUFRKHMWBWJBMA-INIZCTEOSA-N 1 2 390.958 2.057 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccc(C)c(Br)c1)CC2 ZINC000371734624 532949562 /nfs/dbraw/zinc/94/95/62/532949562.db2.gz GRIDRKJCZSFEMZ-UHFFFAOYSA-N 1 2 377.242 2.243 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)COc1ccc(C=O)cc1Br)CC2 ZINC000371728153 532949508 /nfs/dbraw/zinc/94/95/08/532949508.db2.gz OXZUMJDISDZCEO-UHFFFAOYSA-N 1 2 378.226 2.188 20 0 GEADLO COc1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)ccc1OC(C)C ZINC000275656293 570698001 /nfs/dbraw/zinc/69/80/01/570698001.db2.gz KVJWEFWHOKHNAK-MRXNPFEDSA-N 1 2 399.495 2.201 20 0 GEADLO COc1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)ccc1OC(C)C ZINC000275656293 570698004 /nfs/dbraw/zinc/69/80/04/570698004.db2.gz KVJWEFWHOKHNAK-MRXNPFEDSA-N 1 2 399.495 2.201 20 0 GEADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N[C@H]2CCN(c3cnn(C)c3)C2=O)nc[nH+]1 ZINC000275709983 570699155 /nfs/dbraw/zinc/69/91/55/570699155.db2.gz NZWDWIVPLRECBD-GJYPPUQNSA-N 1 2 399.499 2.043 20 0 GEADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N[C@H]2CCN(c3cnn(C)c3)C2=O)[nH+]cn1 ZINC000275709983 570699159 /nfs/dbraw/zinc/69/91/59/570699159.db2.gz NZWDWIVPLRECBD-GJYPPUQNSA-N 1 2 399.499 2.043 20 0 GEADLO Cc1cc(C)c(OCC(=O)N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)c(C)c1 ZINC000275690817 570699329 /nfs/dbraw/zinc/69/93/29/570699329.db2.gz MTFDJQBGGJFEIL-QGZVFWFLSA-N 1 2 383.496 2.096 20 0 GEADLO Cc1cc(C)c(OCC(=O)N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)c(C)c1 ZINC000275690817 570699332 /nfs/dbraw/zinc/69/93/32/570699332.db2.gz MTFDJQBGGJFEIL-QGZVFWFLSA-N 1 2 383.496 2.096 20 0 GEADLO COC[C@@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000736970741 598855433 /nfs/dbraw/zinc/85/54/33/598855433.db2.gz FAYKHWQMQSJUHH-SNVBAGLBSA-N 1 2 376.367 2.489 20 0 GEADLO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000736900256 598860698 /nfs/dbraw/zinc/86/06/98/598860698.db2.gz DKMAOAIKECLZGA-SJLPKXTDSA-N 1 2 393.451 2.059 20 0 GEADLO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000736900256 598860700 /nfs/dbraw/zinc/86/07/00/598860700.db2.gz DKMAOAIKECLZGA-SJLPKXTDSA-N 1 2 393.451 2.059 20 0 GEADLO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738144245 599035493 /nfs/dbraw/zinc/03/54/93/599035493.db2.gz KJYQAWKFKDVUOR-KRWDZBQOSA-N 1 2 398.854 2.360 20 0 GEADLO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738144245 599035496 /nfs/dbraw/zinc/03/54/96/599035496.db2.gz KJYQAWKFKDVUOR-KRWDZBQOSA-N 1 2 398.854 2.360 20 0 GEADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC000820939745 599054520 /nfs/dbraw/zinc/05/45/20/599054520.db2.gz XNPAEIWHLXFSFW-OAHLLOKOSA-N 1 2 386.410 2.208 20 0 GEADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC000820939736 599055024 /nfs/dbraw/zinc/05/50/24/599055024.db2.gz XNPAEIWHLXFSFW-HNNXBMFYSA-N 1 2 386.410 2.208 20 0 GEADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000737744294 599068825 /nfs/dbraw/zinc/06/88/25/599068825.db2.gz VNWOSSAXVUOCOH-SFHVURJKSA-N 1 2 378.411 2.322 20 0 GEADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000737744294 599068828 /nfs/dbraw/zinc/06/88/28/599068828.db2.gz VNWOSSAXVUOCOH-SFHVURJKSA-N 1 2 378.411 2.322 20 0 GEADLO CC(C)(C)Oc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735639864 599095318 /nfs/dbraw/zinc/09/53/18/599095318.db2.gz RAUYIVMXZHRLJE-QGZVFWFLSA-N 1 2 380.452 2.360 20 0 GEADLO C[C@H]1C[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)OC(C)(C)C ZINC000736285910 599141537 /nfs/dbraw/zinc/14/15/37/599141537.db2.gz KXLGBTKXSPTESM-AWEZNQCLSA-N 1 2 388.472 2.187 20 0 GEADLO C[C@H]1C[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)OC(C)(C)C ZINC000736285910 599141539 /nfs/dbraw/zinc/14/15/39/599141539.db2.gz KXLGBTKXSPTESM-AWEZNQCLSA-N 1 2 388.472 2.187 20 0 GEADLO Cc1ccc(OC2CC[NH+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737364210 599209173 /nfs/dbraw/zinc/20/91/73/599209173.db2.gz JMDHENMPDXJNJX-LJQANCHMSA-N 1 2 392.463 2.245 20 0 GEADLO CCc1ccccc1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821492552 607275147 /nfs/dbraw/zinc/27/51/47/607275147.db2.gz RAJANBLPQWRFTC-UHFFFAOYSA-N 1 2 376.464 2.387 20 0 GEADLO COc1cc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc(OC)c1OC ZINC000737048358 599259239 /nfs/dbraw/zinc/25/92/39/599259239.db2.gz ZJRQLGYOSOXOIM-UHFFFAOYSA-N 1 2 392.419 2.475 20 0 GEADLO Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000822693892 607305785 /nfs/dbraw/zinc/30/57/85/607305785.db2.gz NIZFBABJNYRRSP-FZKQIMNGSA-N 1 2 390.451 2.098 20 0 GEADLO CC(C)N(C(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)C1CCCC1 ZINC000735850409 598251140 /nfs/dbraw/zinc/25/11/40/598251140.db2.gz DMOYTKLVAAKVDH-UHFFFAOYSA-N 1 2 397.527 2.168 20 0 GEADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736275310 598251232 /nfs/dbraw/zinc/25/12/32/598251232.db2.gz WYIHZHXIJLBFMP-SJLPKXTDSA-N 1 2 397.527 2.026 20 0 GEADLO O=C(CC1CCCCC1)N1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000737813273 598255057 /nfs/dbraw/zinc/25/50/57/598255057.db2.gz JRQQLIPCMDHMQQ-UHFFFAOYSA-N 1 2 398.511 2.360 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000735565006 598257573 /nfs/dbraw/zinc/25/75/73/598257573.db2.gz ZZDZGXNSMMPIEG-KUHUBIRLSA-N 1 2 392.463 2.440 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000735565006 598257575 /nfs/dbraw/zinc/25/75/75/598257575.db2.gz ZZDZGXNSMMPIEG-KUHUBIRLSA-N 1 2 392.463 2.440 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1OCCc2ccccc21 ZINC000736788822 598258125 /nfs/dbraw/zinc/25/81/25/598258125.db2.gz XMJZOQHFPZBCGW-SFHVURJKSA-N 1 2 378.436 2.051 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1OCCc2ccccc21 ZINC000736788822 598258126 /nfs/dbraw/zinc/25/81/26/598258126.db2.gz XMJZOQHFPZBCGW-SFHVURJKSA-N 1 2 378.436 2.051 20 0 GEADLO Cc1cnn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)C2)c1 ZINC000737443281 598368022 /nfs/dbraw/zinc/36/80/22/598368022.db2.gz IHALWVGJWUFBRT-UKRRQHHQSA-N 1 2 398.471 2.246 20 0 GEADLO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)C2)c1 ZINC000737443281 598368024 /nfs/dbraw/zinc/36/80/24/598368024.db2.gz IHALWVGJWUFBRT-UKRRQHHQSA-N 1 2 398.471 2.246 20 0 GEADLO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000736801362 598460464 /nfs/dbraw/zinc/46/04/64/598460464.db2.gz INRCSGDHUCIPBI-UHFFFAOYSA-N 1 2 388.378 2.094 20 0 GEADLO C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000736801362 598460465 /nfs/dbraw/zinc/46/04/65/598460465.db2.gz INRCSGDHUCIPBI-UHFFFAOYSA-N 1 2 388.378 2.094 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@H](c2ccccc2F)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842344 598461638 /nfs/dbraw/zinc/46/16/38/598461638.db2.gz AMPLXYQYLRHLAQ-SFHVURJKSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(CC[N@H+]1CCO[C@H](c2ccccc2F)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842344 598461640 /nfs/dbraw/zinc/46/16/40/598461640.db2.gz AMPLXYQYLRHLAQ-SFHVURJKSA-N 1 2 396.426 2.408 20 0 GEADLO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000736171289 598472633 /nfs/dbraw/zinc/47/26/33/598472633.db2.gz VHFLDTAFPWMNTN-XJKSGUPXSA-N 1 2 383.456 2.062 20 0 GEADLO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1nccn1CC(F)(F)F ZINC000736802026 598509577 /nfs/dbraw/zinc/50/95/77/598509577.db2.gz OGACDRVQYLYYGR-UHFFFAOYSA-N 1 2 381.362 2.136 20 0 GEADLO C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1nccn1CC(F)(F)F ZINC000736802026 598509579 /nfs/dbraw/zinc/50/95/79/598509579.db2.gz OGACDRVQYLYYGR-UHFFFAOYSA-N 1 2 381.362 2.136 20 0 GEADLO COc1ccccc1CN1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000737150085 598553023 /nfs/dbraw/zinc/55/30/23/598553023.db2.gz MEAIOHJEAWKTIX-UHFFFAOYSA-N 1 2 394.479 2.072 20 0 GEADLO COc1ccccc1C[NH+]1CCN(CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000737150085 598553024 /nfs/dbraw/zinc/55/30/24/598553024.db2.gz MEAIOHJEAWKTIX-UHFFFAOYSA-N 1 2 394.479 2.072 20 0 GEADLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1F ZINC000735524939 598555903 /nfs/dbraw/zinc/55/59/03/598555903.db2.gz GCXXZAAXDZOGCL-HNNXBMFYSA-N 1 2 394.454 2.454 20 0 GEADLO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000738234819 598595854 /nfs/dbraw/zinc/59/58/54/598595854.db2.gz MUUHHPVRSUXADW-LJQANCHMSA-N 1 2 393.447 2.453 20 0 GEADLO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000738234819 598595856 /nfs/dbraw/zinc/59/58/56/598595856.db2.gz MUUHHPVRSUXADW-LJQANCHMSA-N 1 2 393.447 2.453 20 0 GEADLO CC(C)[C@H](C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736288313 598597314 /nfs/dbraw/zinc/59/73/14/598597314.db2.gz AJIIUHBRGITLNZ-BFQNTYOBSA-N 1 2 376.436 2.078 20 0 GEADLO CC(C)[C@H](C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736288313 598597316 /nfs/dbraw/zinc/59/73/16/598597316.db2.gz AJIIUHBRGITLNZ-BFQNTYOBSA-N 1 2 376.436 2.078 20 0 GEADLO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)cn1 ZINC000737500872 598625279 /nfs/dbraw/zinc/62/52/79/598625279.db2.gz DSBWDVMMSULVHY-UHFFFAOYSA-N 1 2 393.386 2.217 20 0 GEADLO OC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738393071 598756388 /nfs/dbraw/zinc/75/63/88/598756388.db2.gz IIMFNSAGKFPIIF-SFHVURJKSA-N 1 2 384.871 2.376 20 0 GEADLO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CCS[C@H](C)C1 ZINC000736293801 598768242 /nfs/dbraw/zinc/76/82/42/598768242.db2.gz VFOGPSUKTDDSCY-ZJUUUORDSA-N 1 2 378.527 2.181 20 0 GEADLO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1CCS[C@H](C)C1 ZINC000736293801 598768244 /nfs/dbraw/zinc/76/82/44/598768244.db2.gz VFOGPSUKTDDSCY-ZJUUUORDSA-N 1 2 378.527 2.181 20 0 GEADLO C[C@H](Sc1ccccc1-c1nn[nH]n1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000820554913 599344486 /nfs/dbraw/zinc/34/44/86/599344486.db2.gz BJECYJORKPTPRF-AWEZNQCLSA-N 1 2 395.492 2.091 20 0 GEADLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820373213 599406778 /nfs/dbraw/zinc/40/67/78/599406778.db2.gz GNMIVUWJPOMXPO-CQSZACIVSA-N 1 2 392.467 2.422 20 0 GEADLO CCc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)o1 ZINC000736686032 599447712 /nfs/dbraw/zinc/44/77/12/599447712.db2.gz NSOMXRUUCSQPGD-KRWDZBQOSA-N 1 2 396.451 2.424 20 0 GEADLO CCc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)o1 ZINC000736686032 599447714 /nfs/dbraw/zinc/44/77/14/599447714.db2.gz NSOMXRUUCSQPGD-KRWDZBQOSA-N 1 2 396.451 2.424 20 0 GEADLO Fc1ccc(NCC[NH+]2CCN(Cc3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000822778061 599466308 /nfs/dbraw/zinc/46/63/08/599466308.db2.gz BQGRONYGRPGZKX-UHFFFAOYSA-N 1 2 381.459 2.236 20 0 GEADLO COc1ccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)c(OC)c1OC ZINC000821821281 599482452 /nfs/dbraw/zinc/48/24/52/599482452.db2.gz DEMWBJWICWELQB-UHFFFAOYSA-N 1 2 392.419 2.475 20 0 GEADLO Cc1ccc(N2CCC[C@H](Nc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)nn1 ZINC000822242512 599533199 /nfs/dbraw/zinc/53/31/99/599533199.db2.gz NKLBAPFTOZNLFD-AWEZNQCLSA-N 1 2 387.451 2.016 20 0 GEADLO Cc1cc(C)n(C[C@@H]2CN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CCO2)n1 ZINC000822198598 599538961 /nfs/dbraw/zinc/53/89/61/599538961.db2.gz BLVRCOYZXLRJLQ-HNNXBMFYSA-N 1 2 390.451 2.134 20 0 GEADLO c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000823791451 599543778 /nfs/dbraw/zinc/54/37/78/599543778.db2.gz CWIMKEBZAKNBQB-ZDUSSCGKSA-N 1 2 387.451 2.337 20 0 GEADLO CCO[C@H](C)c1noc(C[N@H+](C)CCCOc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821346656 599583111 /nfs/dbraw/zinc/58/31/11/599583111.db2.gz NKXQGBSGNDXPNL-CYBMUJFWSA-N 1 2 387.444 2.248 20 0 GEADLO CCO[C@H](C)c1noc(C[N@@H+](C)CCCOc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821346656 599583113 /nfs/dbraw/zinc/58/31/13/599583113.db2.gz NKXQGBSGNDXPNL-CYBMUJFWSA-N 1 2 387.444 2.248 20 0 GEADLO Cc1[nH+]c2n(c1C)CCN(C(=O)Nc1cc(-c3nn[nH]n3)cn1C(C)(C)C)C2 ZINC000737489452 599599846 /nfs/dbraw/zinc/59/98/46/599599846.db2.gz ISQUROUMBGOXRV-UHFFFAOYSA-N 1 2 383.460 2.284 20 0 GEADLO CC[N@H+](C)[C@@H](C(=O)OCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821159477 599663453 /nfs/dbraw/zinc/66/34/53/599663453.db2.gz CBRXFNPREOHAHP-GOSISDBHSA-N 1 2 381.436 2.482 20 0 GEADLO CC[N@@H+](C)[C@@H](C(=O)OCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821159477 599663454 /nfs/dbraw/zinc/66/34/54/599663454.db2.gz CBRXFNPREOHAHP-GOSISDBHSA-N 1 2 381.436 2.482 20 0 GEADLO Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000738772212 599781997 /nfs/dbraw/zinc/78/19/97/599781997.db2.gz WIYYSZQOJNGYBT-JOCHJYFZSA-N 1 2 395.503 2.491 20 0 GEADLO Cc1ccc(C(=O)[O-])cc1NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000738534310 599850693 /nfs/dbraw/zinc/85/06/93/599850693.db2.gz YXUKLSPAYODBRC-UHFFFAOYSA-N 1 2 389.496 2.066 20 0 GEADLO CC(C)([NH2+]CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)[O-] ZINC000736339515 599925930 /nfs/dbraw/zinc/92/59/30/599925930.db2.gz RIDQLRFXVUCDLO-UHFFFAOYSA-N 1 2 395.503 2.373 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823265606 607446900 /nfs/dbraw/zinc/44/69/00/607446900.db2.gz BIUWDWWVLWAARE-UHFFFAOYSA-N 1 2 398.858 2.230 20 0 GEADLO C[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736663178 600522255 /nfs/dbraw/zinc/52/22/55/600522255.db2.gz VWCHYXPATAYSFR-RHSMWYFYSA-N 1 2 398.507 2.488 20 0 GEADLO Cc1c(C(=O)[O-])sc2[nH]c(C[NH+]3CCC(CC[NH+](C)C)CC3)nc(=O)c12 ZINC000738288097 600564668 /nfs/dbraw/zinc/56/46/68/600564668.db2.gz ARMVGNZTCRYFIT-UHFFFAOYSA-N 1 2 378.498 2.155 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c(-c2nn[nH]n2)c1C ZINC000826342158 607474139 /nfs/dbraw/zinc/47/41/39/607474139.db2.gz ZKLJLMOBQXEDKL-LRDDRELGSA-N 1 2 396.451 2.339 20 0 GEADLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c(-c2nn[nH]n2)c1C ZINC000826342158 607474140 /nfs/dbraw/zinc/47/41/40/607474140.db2.gz ZKLJLMOBQXEDKL-LRDDRELGSA-N 1 2 396.451 2.339 20 0 GEADLO COc1ccccc1CN1CC[NH+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000826219620 607495016 /nfs/dbraw/zinc/49/50/16/607495016.db2.gz KIZBHCIZLCNQHE-UHFFFAOYSA-N 1 2 394.479 2.202 20 0 GEADLO COc1ccccc1C[NH+]1CCN(Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000826219620 607495018 /nfs/dbraw/zinc/49/50/18/607495018.db2.gz KIZBHCIZLCNQHE-UHFFFAOYSA-N 1 2 394.479 2.202 20 0 GEADLO c1csc(CN2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)n1 ZINC000826523201 607491811 /nfs/dbraw/zinc/49/18/11/607491811.db2.gz DZSYNJXWLFBVAL-UHFFFAOYSA-N 1 2 378.465 2.194 20 0 GEADLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000821165491 607499921 /nfs/dbraw/zinc/49/99/21/607499921.db2.gz TZALVLZDLLJTQF-UHFFFAOYSA-N 1 2 398.442 2.153 20 0 GEADLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000821165491 607499923 /nfs/dbraw/zinc/49/99/23/607499923.db2.gz TZALVLZDLLJTQF-UHFFFAOYSA-N 1 2 398.442 2.153 20 0 GEADLO CCc1nc(CN2CC[NH+](Cc3ccc(OC)c(-c4nn[nH]n4)c3)CC2)cs1 ZINC000825744574 607516570 /nfs/dbraw/zinc/51/65/70/607516570.db2.gz CZDMVTIBWLHKEY-UHFFFAOYSA-N 1 2 399.524 2.212 20 0 GEADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000826189760 607521515 /nfs/dbraw/zinc/52/15/15/607521515.db2.gz DMLMFWXTZNWZNP-QGZVFWFLSA-N 1 2 393.451 2.182 20 0 GEADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000826189760 607521516 /nfs/dbraw/zinc/52/15/16/607521516.db2.gz DMLMFWXTZNWZNP-QGZVFWFLSA-N 1 2 393.451 2.182 20 0 GEADLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@H](NC(=O)[O-])c3ccccc3)C2)CC1 ZINC000739731455 602716352 /nfs/dbraw/zinc/71/63/52/602716352.db2.gz KUNNUJBZIVQPMI-HKUYNNGSSA-N 1 2 388.512 2.060 20 0 GEADLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC[C@H](NC(=O)[O-])c3ccccc3)C2)CC1 ZINC000739731455 602716353 /nfs/dbraw/zinc/71/63/53/602716353.db2.gz KUNNUJBZIVQPMI-HKUYNNGSSA-N 1 2 388.512 2.060 20 0 GEADLO O=C([O-])N1CCc2cccc(C[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)c21 ZINC000832086853 603865507 /nfs/dbraw/zinc/86/55/07/603865507.db2.gz JDAQQWNQNNMLLM-QFIPXVFZSA-N 1 2 381.476 2.454 20 0 GEADLO O=C([O-])N1CCc2cccc(C[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)c21 ZINC000832086853 603865510 /nfs/dbraw/zinc/86/55/10/603865510.db2.gz JDAQQWNQNNMLLM-QFIPXVFZSA-N 1 2 381.476 2.454 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000828466594 603984326 /nfs/dbraw/zinc/98/43/26/603984326.db2.gz PMLJJABZAQSVFM-UHFFFAOYSA-N 1 2 389.500 2.217 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000828466594 603984328 /nfs/dbraw/zinc/98/43/28/603984328.db2.gz PMLJJABZAQSVFM-UHFFFAOYSA-N 1 2 389.500 2.217 20 0 GEADLO C[C@@H](Oc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1)C(=O)[O-] ZINC000833539478 604635905 /nfs/dbraw/zinc/63/59/05/604635905.db2.gz ZJOPLTNGXXBOQV-QGZVFWFLSA-N 1 2 386.496 2.331 20 0 GEADLO C[C@@H](Oc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1)C(=O)[O-] ZINC000833539478 604635907 /nfs/dbraw/zinc/63/59/07/604635907.db2.gz ZJOPLTNGXXBOQV-QGZVFWFLSA-N 1 2 386.496 2.331 20 0 GEADLO O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000248535453 604961502 /nfs/dbraw/zinc/96/15/02/604961502.db2.gz KERQWDLSNPTQLC-NJAFHUGGSA-N 1 2 391.537 2.110 20 0 GEADLO O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000248535453 604961506 /nfs/dbraw/zinc/96/15/06/604961506.db2.gz KERQWDLSNPTQLC-NJAFHUGGSA-N 1 2 391.537 2.110 20 0 GEADLO C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000826067653 605102713 /nfs/dbraw/zinc/10/27/13/605102713.db2.gz LTKPSSDAQWVNOV-FZCLSBEQSA-N 1 2 376.501 2.385 20 0 GEADLO C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000826067653 605102714 /nfs/dbraw/zinc/10/27/14/605102714.db2.gz LTKPSSDAQWVNOV-FZCLSBEQSA-N 1 2 376.501 2.385 20 0 GEADLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1-c1nn[nH]n1 ZINC000826193468 607749602 /nfs/dbraw/zinc/74/96/02/607749602.db2.gz DXPJGNRBDVABFF-CXAGYDPISA-N 1 2 387.390 2.461 20 0 GEADLO COc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1-c1nn[nH]n1 ZINC000826193468 607749603 /nfs/dbraw/zinc/74/96/03/607749603.db2.gz DXPJGNRBDVABFF-CXAGYDPISA-N 1 2 387.390 2.461 20 0 GEADLO O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000834102277 605987363 /nfs/dbraw/zinc/98/73/63/605987363.db2.gz CYABQJJLYWXXIL-XRXFAXGQSA-N 1 2 387.524 2.306 20 0 GEADLO O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000834102277 605987366 /nfs/dbraw/zinc/98/73/66/605987366.db2.gz CYABQJJLYWXXIL-XRXFAXGQSA-N 1 2 387.524 2.306 20 0 GEADLO C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)Cc1nccs1 ZINC000821598307 606111461 /nfs/dbraw/zinc/11/14/61/606111461.db2.gz XUFKDNURXDEMSM-UHFFFAOYSA-N 1 2 377.861 2.437 20 0 GEADLO C[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)Cc1nccs1 ZINC000821598307 606111463 /nfs/dbraw/zinc/11/14/63/606111463.db2.gz XUFKDNURXDEMSM-UHFFFAOYSA-N 1 2 377.861 2.437 20 0 GEADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000821407770 606152038 /nfs/dbraw/zinc/15/20/38/606152038.db2.gz WVJVEIODJUEGBR-UHFFFAOYSA-N 1 2 382.428 2.400 20 0 GEADLO O=C1CC2(CCCC2)CN1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823519486 606156250 /nfs/dbraw/zinc/15/62/50/606156250.db2.gz GKBPDILLONHRAB-UHFFFAOYSA-N 1 2 396.495 2.460 20 0 GEADLO Clc1ncc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000822591041 606183328 /nfs/dbraw/zinc/18/33/28/606183328.db2.gz PGVSJIJVXNOCBO-UHFFFAOYSA-N 1 2 375.889 2.294 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562023 606186568 /nfs/dbraw/zinc/18/65/68/606186568.db2.gz MVLWCMPCFOWORD-GOSISDBHSA-N 1 2 383.477 2.478 20 0 GEADLO O=S(=O)(CC[N@H+]1CCC[C@@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562023 606186570 /nfs/dbraw/zinc/18/65/70/606186570.db2.gz MVLWCMPCFOWORD-GOSISDBHSA-N 1 2 383.477 2.478 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(-c4nn[nH]n4)cn3C)n2)C1 ZINC000820709461 606281311 /nfs/dbraw/zinc/28/13/11/606281311.db2.gz IZBLUGFREGHDNE-LLVKDONJSA-N 1 2 386.485 2.146 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(-c4nn[nH]n4)cn3C)n2)C1 ZINC000820709461 606281312 /nfs/dbraw/zinc/28/13/12/606281312.db2.gz IZBLUGFREGHDNE-LLVKDONJSA-N 1 2 386.485 2.146 20 0 GEADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cs1 ZINC000822427856 606305523 /nfs/dbraw/zinc/30/55/23/606305523.db2.gz XRIRZSRLSSGCRC-GZMMTYOYSA-N 1 2 375.483 2.149 20 0 GEADLO O=C1[C@H]([N@@H+]2CCC[C@@H](C(F)(F)F)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823505030 606315100 /nfs/dbraw/zinc/31/51/00/606315100.db2.gz XCDJGEIQSDRQJK-MWLCHTKSSA-N 1 2 386.403 2.308 20 0 GEADLO O=C1[C@H]([N@H+]2CCC[C@@H](C(F)(F)F)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823505030 606315102 /nfs/dbraw/zinc/31/51/02/606315102.db2.gz XCDJGEIQSDRQJK-MWLCHTKSSA-N 1 2 386.403 2.308 20 0 GEADLO O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000823108722 606532259 /nfs/dbraw/zinc/53/22/59/606532259.db2.gz PZERVTNMLVCXCD-UHFFFAOYSA-N 1 2 383.481 2.490 20 0 GEADLO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822476970 606616245 /nfs/dbraw/zinc/61/62/45/606616245.db2.gz BNQCQVJSRHZXFJ-INIZCTEOSA-N 1 2 391.439 2.086 20 0 GEADLO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822476970 606616246 /nfs/dbraw/zinc/61/62/46/606616246.db2.gz BNQCQVJSRHZXFJ-INIZCTEOSA-N 1 2 391.439 2.086 20 0 GEADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000819922527 606618099 /nfs/dbraw/zinc/61/80/99/606618099.db2.gz KWEOMFZLFKKBFL-AWEZNQCLSA-N 1 2 397.439 2.080 20 0 GEADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000819922527 606618101 /nfs/dbraw/zinc/61/81/01/606618101.db2.gz KWEOMFZLFKKBFL-AWEZNQCLSA-N 1 2 397.439 2.080 20 0 GEADLO O=C(Cc1c(F)cccc1F)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823073803 606662299 /nfs/dbraw/zinc/66/22/99/606662299.db2.gz DHVKOODAUDUPCN-UHFFFAOYSA-N 1 2 398.417 2.032 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@H](c2cccs2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822969707 606755658 /nfs/dbraw/zinc/75/56/58/606755658.db2.gz YBYHLEPCYUTINU-LBPRGKRZSA-N 1 2 390.494 2.392 20 0 GEADLO O=C(CC[N@H+]1CCO[C@H](c2cccs2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822969707 606755661 /nfs/dbraw/zinc/75/56/61/606755661.db2.gz YBYHLEPCYUTINU-LBPRGKRZSA-N 1 2 390.494 2.392 20 0 GEADLO O=C(CC1CCSCC1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822945681 606778115 /nfs/dbraw/zinc/77/81/15/606778115.db2.gz NNDKQGPLRQYOMD-UHFFFAOYSA-N 1 2 386.525 2.044 20 0 GEADLO CSc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000821976816 606783951 /nfs/dbraw/zinc/78/39/51/606783951.db2.gz DKXKLWGWHABELG-ZDUSSCGKSA-N 1 2 382.497 2.089 20 0 GEADLO CSc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000821976816 606783954 /nfs/dbraw/zinc/78/39/54/606783954.db2.gz DKXKLWGWHABELG-ZDUSSCGKSA-N 1 2 382.497 2.089 20 0 GEADLO CSc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000821976814 606784372 /nfs/dbraw/zinc/78/43/72/606784372.db2.gz DKXKLWGWHABELG-CYBMUJFWSA-N 1 2 382.497 2.089 20 0 GEADLO CSc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000821976814 606784373 /nfs/dbraw/zinc/78/43/73/606784373.db2.gz DKXKLWGWHABELG-CYBMUJFWSA-N 1 2 382.497 2.089 20 0 GEADLO CC(C)Oc1cccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000820178078 606784377 /nfs/dbraw/zinc/78/43/77/606784377.db2.gz GZGLQEVZJQDHOJ-HNNXBMFYSA-N 1 2 394.483 2.155 20 0 GEADLO CC(C)Oc1cccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000820178078 606784378 /nfs/dbraw/zinc/78/43/78/606784378.db2.gz GZGLQEVZJQDHOJ-HNNXBMFYSA-N 1 2 394.483 2.155 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(Cl)s1 ZINC000820804298 606785281 /nfs/dbraw/zinc/78/52/81/606785281.db2.gz PUTDNMYUOBCCDS-JTQLQIEISA-N 1 2 376.877 2.082 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(Cl)s1 ZINC000820804298 606785282 /nfs/dbraw/zinc/78/52/82/606785282.db2.gz PUTDNMYUOBCCDS-JTQLQIEISA-N 1 2 376.877 2.082 20 0 GEADLO CC[C@H]1CCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820973153 606811562 /nfs/dbraw/zinc/81/15/62/606811562.db2.gz UOCPOTWGJYWAAB-WMZOPIPTSA-N 1 2 383.500 2.273 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](Oc2cccnc2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822992117 606814661 /nfs/dbraw/zinc/81/46/61/606814661.db2.gz ISJDXWKEPLODER-AWEZNQCLSA-N 1 2 399.842 2.007 20 0 GEADLO O=C(C[N@H+]1CC[C@H](Oc2cccnc2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822992117 606814663 /nfs/dbraw/zinc/81/46/63/606814663.db2.gz ISJDXWKEPLODER-AWEZNQCLSA-N 1 2 399.842 2.007 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000823261286 606814991 /nfs/dbraw/zinc/81/49/91/606814991.db2.gz GAXLYSJLKSCJGD-UHFFFAOYSA-N 1 2 388.435 2.389 20 0 GEADLO O[C@H](CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681926 606844981 /nfs/dbraw/zinc/84/49/81/606844981.db2.gz LLOROSYWCPHVDP-HXRGIAOBSA-N 1 2 390.491 2.231 20 0 GEADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000819922744 606913188 /nfs/dbraw/zinc/91/31/88/606913188.db2.gz ODDWWSXAPNDCDK-LBPRGKRZSA-N 1 2 392.485 2.063 20 0 GEADLO C[C@H](Sc1cccc(-c2nn[nH]n2)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000820556607 607009655 /nfs/dbraw/zinc/00/96/55/607009655.db2.gz UTYTVNFXQJLFCG-AWEZNQCLSA-N 1 2 395.492 2.091 20 0 GEADLO COc1cccc2c(NCCCc3[nH]nc(N)c3-c3nn[nH]n3)cc(C)[nH+]c12 ZINC000821877710 607024669 /nfs/dbraw/zinc/02/46/69/607024669.db2.gz RBXLQXUZSLDOIH-UHFFFAOYSA-N 1 2 379.428 2.082 20 0 GEADLO C[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000820716949 607062173 /nfs/dbraw/zinc/06/21/73/607062173.db2.gz NEGFPOWMKFRTEB-RHSMWYFYSA-N 1 2 395.467 2.330 20 0 GEADLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccncc1 ZINC000820220458 607191560 /nfs/dbraw/zinc/19/15/60/607191560.db2.gz VMXILFRFNLXXEX-INIZCTEOSA-N 1 2 391.479 2.100 20 0 GEADLO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000826268119 607810791 /nfs/dbraw/zinc/81/07/91/607810791.db2.gz KMNYBLBDYPBADR-CQSZACIVSA-N 1 2 390.426 2.370 20 0 GEADLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)[C@H]2C1 ZINC000826145304 607858133 /nfs/dbraw/zinc/85/81/33/607858133.db2.gz CZXBBOYDFBUERM-QLFBSQMISA-N 1 2 395.410 2.236 20 0 GEADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)[C@H]2C1 ZINC000826145304 607858134 /nfs/dbraw/zinc/85/81/34/607858134.db2.gz CZXBBOYDFBUERM-QLFBSQMISA-N 1 2 395.410 2.236 20 0 GEADLO Cc1cc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)ncn1 ZINC000826267178 607935015 /nfs/dbraw/zinc/93/50/15/607935015.db2.gz VMDUZOZSUUJMKT-UHFFFAOYSA-N 1 2 384.350 2.149 20 0 GEADLO COc1ccc(CNc2ccc[nH+]c2N2CCC(CO)CC2)cc1-c1nn[nH]n1 ZINC000826203869 607985605 /nfs/dbraw/zinc/98/56/05/607985605.db2.gz JPQMFASZTPBHPA-UHFFFAOYSA-N 1 2 395.467 2.091 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@H]2C[N@H+](Cc3cccc4c3OCCO4)CCO2)c1 ZINC000826513243 608068468 /nfs/dbraw/zinc/06/84/68/608068468.db2.gz FPGUCKPPZFAUSM-GOSISDBHSA-N 1 2 379.420 2.211 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@H]2C[N@@H+](Cc3cccc4c3OCCO4)CCO2)c1 ZINC000826513243 608068469 /nfs/dbraw/zinc/06/84/69/608068469.db2.gz FPGUCKPPZFAUSM-GOSISDBHSA-N 1 2 379.420 2.211 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1Cn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000826185116 608151283 /nfs/dbraw/zinc/15/12/83/608151283.db2.gz ZAUSKHAIAMYUBE-LBPRGKRZSA-N 1 2 379.424 2.066 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2cccc(-c3nn[nH]n3)n2)c2ccc(Cl)cc2)C1 ZINC000826045102 608235302 /nfs/dbraw/zinc/23/53/02/608235302.db2.gz PFRJMNLIOKYXEC-WBVHZDCISA-N 1 2 385.859 2.399 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@@H](Nc2cccc(-c3nn[nH]n3)n2)c2ccc(Cl)cc2)C1 ZINC000826045102 608235303 /nfs/dbraw/zinc/23/53/03/608235303.db2.gz PFRJMNLIOKYXEC-WBVHZDCISA-N 1 2 385.859 2.399 20 0 GEADLO O=C(OCCn1cc[nH+]c1)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000826464424 608255604 /nfs/dbraw/zinc/25/56/04/608255604.db2.gz VZGJAVKAWYFXMZ-UHFFFAOYSA-N 1 2 390.403 2.499 20 0 GEADLO CCN1CC[NH+](Cc2ccc(CNc3nc(C)ccc3-c3nn[nH]n3)cc2)CC1 ZINC000825460523 608273481 /nfs/dbraw/zinc/27/34/81/608273481.db2.gz ZPGJKCSALDWGDD-UHFFFAOYSA-N 1 2 392.511 2.320 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1COC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000826170597 608359560 /nfs/dbraw/zinc/35/95/60/608359560.db2.gz HLYQDDMBUBTLON-CQSZACIVSA-N 1 2 381.436 2.439 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1COC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000826170597 608359562 /nfs/dbraw/zinc/35/95/62/608359562.db2.gz HLYQDDMBUBTLON-CQSZACIVSA-N 1 2 381.436 2.439 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000826168326 608366571 /nfs/dbraw/zinc/36/65/71/608366571.db2.gz JVJPLUIRYSRSBF-UHFFFAOYSA-N 1 2 394.479 2.214 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000826167855 608372200 /nfs/dbraw/zinc/37/22/00/608372200.db2.gz SYPJRLSTMACROI-QGZVFWFLSA-N 1 2 378.436 2.113 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000826167855 608372202 /nfs/dbraw/zinc/37/22/02/608372202.db2.gz SYPJRLSTMACROI-QGZVFWFLSA-N 1 2 378.436 2.113 20 0 GEADLO COc1ccccc1C[NH+]1CCN(Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826219904 608390497 /nfs/dbraw/zinc/39/04/97/608390497.db2.gz VGRJEIRKWKEVJM-UHFFFAOYSA-N 1 2 382.443 2.332 20 0 GEADLO COc1ccc(OC)c(C[N@H+](CCO)Cc2cccc(-c3nn[nH]n3)c2F)c1 ZINC000826210752 608394248 /nfs/dbraw/zinc/39/42/48/608394248.db2.gz CUBYGJYLWKIEGP-UHFFFAOYSA-N 1 2 387.415 2.018 20 0 GEADLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cccc(-c3nn[nH]n3)c2F)c1 ZINC000826210752 608394250 /nfs/dbraw/zinc/39/42/50/608394250.db2.gz CUBYGJYLWKIEGP-UHFFFAOYSA-N 1 2 387.415 2.018 20 0 GEADLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1OC(F)F ZINC000824529305 608434540 /nfs/dbraw/zinc/43/45/40/608434540.db2.gz GASRCGLHWTYYCW-ZUZCIYMTSA-N 1 2 388.378 2.345 20 0 GEADLO O=C(C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)NCc1cccs1 ZINC000826410148 608462366 /nfs/dbraw/zinc/46/23/66/608462366.db2.gz DOAHPRRUMQRFCV-UHFFFAOYSA-N 1 2 380.477 2.334 20 0 GEADLO O=C(C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)NCc1cccs1 ZINC000826410148 608462367 /nfs/dbraw/zinc/46/23/67/608462367.db2.gz DOAHPRRUMQRFCV-UHFFFAOYSA-N 1 2 380.477 2.334 20 0 GEADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826296702 608468270 /nfs/dbraw/zinc/46/82/70/608468270.db2.gz GIHOMNROEVJKAJ-AWEZNQCLSA-N 1 2 375.440 2.310 20 0 GEADLO Cc1cc(NC(=O)N2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c(C)c[nH+]1 ZINC000826270376 608477482 /nfs/dbraw/zinc/47/74/82/608477482.db2.gz XPATWXNJSGZVOV-UHFFFAOYSA-N 1 2 392.467 2.045 20 0 GEADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000825164952 608487702 /nfs/dbraw/zinc/48/77/02/608487702.db2.gz NVYMFVZADGVZQR-HXUWFJFHSA-N 1 2 380.452 2.089 20 0 GEADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000825164952 608487703 /nfs/dbraw/zinc/48/77/03/608487703.db2.gz NVYMFVZADGVZQR-HXUWFJFHSA-N 1 2 380.452 2.089 20 0 GEADLO c1nc(-c2ccccn2)nn1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823868350 608487740 /nfs/dbraw/zinc/48/77/40/608487740.db2.gz XKHSGPOQMOQRMK-UHFFFAOYSA-N 1 2 385.435 2.267 20 0 GEADLO c1nc(-c2ccccn2)nn1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823868350 608487741 /nfs/dbraw/zinc/48/77/41/608487741.db2.gz XKHSGPOQMOQRMK-UHFFFAOYSA-N 1 2 385.435 2.267 20 0 GEADLO COc1ccc(C[N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)c(OC)c1 ZINC000826193120 608500577 /nfs/dbraw/zinc/50/05/77/608500577.db2.gz QMBWUHVDXMEAOH-UHFFFAOYSA-N 1 2 379.424 2.164 20 0 GEADLO COc1ccc(C[N@@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)c(OC)c1 ZINC000826193120 608500579 /nfs/dbraw/zinc/50/05/79/608500579.db2.gz QMBWUHVDXMEAOH-UHFFFAOYSA-N 1 2 379.424 2.164 20 0 GEADLO CC(C)(C)c1ncc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)s1 ZINC000824141308 608512323 /nfs/dbraw/zinc/51/23/23/608512323.db2.gz FJVBKAPRQFONQV-UHFFFAOYSA-N 1 2 384.513 2.338 20 0 GEADLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000824136287 608589490 /nfs/dbraw/zinc/58/94/90/608589490.db2.gz OQJOAXJHMFCJJY-UHFFFAOYSA-N 1 2 397.487 2.075 20 0 GEADLO COc1ccsc1C[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826221881 608590100 /nfs/dbraw/zinc/59/01/00/608590100.db2.gz ZLFPQZYRUSBCTC-UHFFFAOYSA-N 1 2 387.469 2.124 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826473448 608626080 /nfs/dbraw/zinc/62/60/80/608626080.db2.gz YLBVEXDFRUQPEV-UHFFFAOYSA-N 1 2 386.843 2.461 20 0 GEADLO Cc1cccc2ncc(C[NH+]3CCN(c4ccc(-c5nn[nH]n5)cc4F)CC3)n21 ZINC000826304843 608640108 /nfs/dbraw/zinc/64/01/08/608640108.db2.gz ANXOHIXPQRBUKY-UHFFFAOYSA-N 1 2 392.442 2.284 20 0 GEADLO C[C@@H]1CN(Cc2cc(-c3nn[nH]n3)cs2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000824983815 608686368 /nfs/dbraw/zinc/68/63/68/608686368.db2.gz DBIAMQPGGLWGOX-KDOFPFPSSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@@H]1CN(Cc2cc(-c3nn[nH]n3)cs2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000824983815 608686370 /nfs/dbraw/zinc/68/63/70/608686370.db2.gz DBIAMQPGGLWGOX-KDOFPFPSSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)cs2)CCN1C[C@H](O)c1ccccc1 ZINC000824983815 608686371 /nfs/dbraw/zinc/68/63/71/608686371.db2.gz DBIAMQPGGLWGOX-KDOFPFPSSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)cs2)CCN1C[C@H](O)c1ccccc1 ZINC000824983815 608686374 /nfs/dbraw/zinc/68/63/74/608686374.db2.gz DBIAMQPGGLWGOX-KDOFPFPSSA-N 1 2 384.509 2.168 20 0 GEADLO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000826455128 608721225 /nfs/dbraw/zinc/72/12/25/608721225.db2.gz ABEDQIHTIUTOAN-MRXNPFEDSA-N 1 2 394.435 2.388 20 0 GEADLO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[N@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000826455128 608721226 /nfs/dbraw/zinc/72/12/26/608721226.db2.gz ABEDQIHTIUTOAN-MRXNPFEDSA-N 1 2 394.435 2.388 20 0 GEADLO CCC[C@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825252564 609140600 /nfs/dbraw/zinc/14/06/00/609140600.db2.gz JGNBMCVDSSJLGU-MOPGFXCFSA-N 1 2 398.511 2.106 20 0 GEADLO O=C1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CCN1c1ccc(F)c(Cl)c1 ZINC000826477201 609188495 /nfs/dbraw/zinc/18/84/95/609188495.db2.gz XSXVIMDGPOZGCU-CYBMUJFWSA-N 1 2 376.779 2.147 20 0 GEADLO CC(Cl)(Cl)C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824464608 609252245 /nfs/dbraw/zinc/25/22/45/609252245.db2.gz ILLCYKKCXFCVOM-UHFFFAOYSA-N 1 2 383.283 2.095 20 0 GEADLO CC(Cl)(Cl)C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824464608 609252246 /nfs/dbraw/zinc/25/22/46/609252246.db2.gz ILLCYKKCXFCVOM-UHFFFAOYSA-N 1 2 383.283 2.095 20 0 GEADLO FC(F)O[C@H]1CCC[N@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000826369894 609280944 /nfs/dbraw/zinc/28/09/44/609280944.db2.gz VCHIRLRCNZXPPP-AWEZNQCLSA-N 1 2 375.383 2.391 20 0 GEADLO FC(F)O[C@H]1CCC[N@@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000826369894 609280945 /nfs/dbraw/zinc/28/09/45/609280945.db2.gz VCHIRLRCNZXPPP-AWEZNQCLSA-N 1 2 375.383 2.391 20 0 GEADLO C[C@H](c1nc2ccccc2o1)[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000824778479 609312760 /nfs/dbraw/zinc/31/27/60/609312760.db2.gz PVGCUGGHVXSILJ-CYBMUJFWSA-N 1 2 376.424 2.286 20 0 GEADLO CC[C@@H]1C[C@H](CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825181459 609375546 /nfs/dbraw/zinc/37/55/46/609375546.db2.gz DZATVMWAWXLIND-IEBWSBKVSA-N 1 2 398.511 2.106 20 0 GEADLO Cc1nc(N2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c2c([nH+]1)CCCC2 ZINC000826328641 609437662 /nfs/dbraw/zinc/43/76/62/609437662.db2.gz YHJKRAJQNGKZAK-UHFFFAOYSA-N 1 2 394.458 2.310 20 0 GEADLO CCN1CC[NH+](Cc2ccccc2CNc2nccc(C)c2-c2nn[nH]n2)CC1 ZINC000825460438 609532820 /nfs/dbraw/zinc/53/28/20/609532820.db2.gz XEPAUXOWHWAZKQ-UHFFFAOYSA-N 1 2 392.511 2.320 20 0 GEADLO CCOC(=O)COc1ccc(CCNc2[nH+]ccc(C)c2-c2nn[nH]n2)cc1 ZINC000825518289 609563029 /nfs/dbraw/zinc/56/30/29/609563029.db2.gz WYYMIJJPMHBTRB-UHFFFAOYSA-N 1 2 382.424 2.167 20 0 GEADLO C[C@H](O)[C@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000824689374 609568876 /nfs/dbraw/zinc/56/88/76/609568876.db2.gz LJRAMAXMRBBYKD-UWVGGRQHSA-N 1 2 376.367 2.223 20 0 GEADLO Cc1cc(N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)nc(C2CC2)[nH+]1 ZINC000826271076 609574624 /nfs/dbraw/zinc/57/46/24/609574624.db2.gz BCADTAFZTNWEPR-INIZCTEOSA-N 1 2 390.451 2.450 20 0 GEADLO Cc1cc(C(=O)Nc2cccc3[nH+]ccn32)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826260639 609589646 /nfs/dbraw/zinc/58/96/46/609589646.db2.gz YHOMUMZEABBTOP-UHFFFAOYSA-N 1 2 385.391 2.261 20 0 GEADLO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000826290181 609611243 /nfs/dbraw/zinc/61/12/43/609611243.db2.gz DMGHOUTZFKYLNL-MRXNPFEDSA-N 1 2 391.479 2.324 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(Br)cc2OC)C1 ZINC000447090278 649997316 /nfs/dbraw/zinc/99/73/16/649997316.db2.gz ZFHOPUMFWJALHH-XJKSGUPXSA-N 1 2 388.302 2.304 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Br)cc2OC)C1 ZINC000447090278 649997321 /nfs/dbraw/zinc/99/73/21/649997321.db2.gz ZFHOPUMFWJALHH-XJKSGUPXSA-N 1 2 388.302 2.304 20 0 GEADLO OC[C@@H]([NH2+]Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCCO1 ZINC000447923797 650010687 /nfs/dbraw/zinc/01/06/87/650010687.db2.gz UESBFOSYLFWRJH-ZIAGYGMSSA-N 1 2 382.258 2.052 20 0 GEADLO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]3CSC[NH2+]3)sc2C)s1 ZINC000447491045 650006871 /nfs/dbraw/zinc/00/68/71/650006871.db2.gz VMQUWDABNUKZKH-LLVKDONJSA-N 1 2 382.536 2.417 20 0 GEADLO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c(F)cc1O ZINC000448915005 650025355 /nfs/dbraw/zinc/02/53/55/650025355.db2.gz ZBAOKDLBEANZDV-JTQLQIEISA-N 1 2 375.238 2.134 20 0 GEADLO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c(F)cc1O ZINC000448915005 650025359 /nfs/dbraw/zinc/02/53/59/650025359.db2.gz ZBAOKDLBEANZDV-JTQLQIEISA-N 1 2 375.238 2.134 20 0 GEADLO C[NH+](C)CCOC1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000448967316 650027285 /nfs/dbraw/zinc/02/72/85/650027285.db2.gz CALQDUDZZRJLER-UHFFFAOYSA-N 1 2 389.265 2.477 20 0 GEADLO COc1nccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)n1 ZINC000449287854 650037620 /nfs/dbraw/zinc/03/76/20/650037620.db2.gz LUYRBEDXBXAXIB-UHFFFAOYSA-N 1 2 375.372 2.197 20 0 GEADLO C[NH+](C)[C@@]1(CNC(=O)c2cc(Br)c(F)cc2O)CCSC1 ZINC000450040086 650058931 /nfs/dbraw/zinc/05/89/31/650058931.db2.gz GWYJQYKTOSEBGU-CQSZACIVSA-N 1 2 377.279 2.461 20 0 GEADLO CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000450223714 650062431 /nfs/dbraw/zinc/06/24/31/650062431.db2.gz OZQQBHSAMRSKBW-CYBMUJFWSA-N 1 2 381.325 2.461 20 0 GEADLO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)c(F)cc1O ZINC000450238223 650062549 /nfs/dbraw/zinc/06/25/49/650062549.db2.gz AOOMYWGQFVYSRD-NSHDSACASA-N 1 2 389.265 2.261 20 0 GEADLO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(Br)c(F)cc1O ZINC000450238223 650062551 /nfs/dbraw/zinc/06/25/51/650062551.db2.gz AOOMYWGQFVYSRD-NSHDSACASA-N 1 2 389.265 2.261 20 0 GEADLO CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000450250590 650063072 /nfs/dbraw/zinc/06/30/72/650063072.db2.gz LRGZSONYDOWEAQ-GFCCVEGCSA-N 1 2 381.325 2.461 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(Br)c(C)cc1C ZINC000450265187 650063260 /nfs/dbraw/zinc/06/32/60/650063260.db2.gz WVULQLORUXTHGZ-AWEZNQCLSA-N 1 2 380.242 2.303 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(Br)c(C)cc1C ZINC000450265187 650063261 /nfs/dbraw/zinc/06/32/61/650063261.db2.gz WVULQLORUXTHGZ-AWEZNQCLSA-N 1 2 380.242 2.303 20 0 GEADLO CS[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)C[C@@H]1[NH+](C)C ZINC000450265074 650063284 /nfs/dbraw/zinc/06/32/84/650063284.db2.gz ICLPWEBJCUMZPH-WCQYABFASA-N 1 2 377.279 2.411 20 0 GEADLO Cc1cc2c(Br)ccnc2cc1N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000450372808 650064404 /nfs/dbraw/zinc/06/44/04/650064404.db2.gz AWETVWZQOAHGKK-CQSZACIVSA-N 1 2 394.313 2.435 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC[N@H+](CCc3cscn3)CC2)cc1 ZINC000450503177 650066299 /nfs/dbraw/zinc/06/62/99/650066299.db2.gz RIAWFXHCQDWXGO-UHFFFAOYSA-N 1 2 381.523 2.091 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC[N@@H+](CCc3cscn3)CC2)cc1 ZINC000450503177 650066300 /nfs/dbraw/zinc/06/63/00/650066300.db2.gz RIAWFXHCQDWXGO-UHFFFAOYSA-N 1 2 381.523 2.091 20 0 GEADLO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000450960500 650076365 /nfs/dbraw/zinc/07/63/65/650076365.db2.gz MUKYDXIOLILCIY-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000450960500 650076366 /nfs/dbraw/zinc/07/63/66/650076366.db2.gz MUKYDXIOLILCIY-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO COc1ccccc1[C@@H](CNS(=O)(=O)CCc1scnc1C)[NH+](C)C ZINC000450990084 650078344 /nfs/dbraw/zinc/07/83/44/650078344.db2.gz SGCXFPJDNRKUAY-OAHLLOKOSA-N 1 2 383.539 2.225 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)C[C@@H]1CCCC1(F)F)[NH+]1CCOCC1 ZINC000451026857 650080966 /nfs/dbraw/zinc/08/09/66/650080966.db2.gz GNLSHFCSJINCPW-HOTGVXAUSA-N 1 2 382.517 2.478 20 0 GEADLO CCOCC[N@@H+]1CCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)C[C@H]1C ZINC000451208056 650096606 /nfs/dbraw/zinc/09/66/06/650096606.db2.gz MTFKXJIYSHSMHE-WLYUNCDWSA-N 1 2 386.480 2.480 20 0 GEADLO CCOCC[N@H+]1CCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)C[C@H]1C ZINC000451208056 650096609 /nfs/dbraw/zinc/09/66/09/650096609.db2.gz MTFKXJIYSHSMHE-WLYUNCDWSA-N 1 2 386.480 2.480 20 0 GEADLO COC(=O)[C@H]1Cc2c(Br)cccc2CN1CC[N@@H+]1CCOC[C@H]1C ZINC000451274149 650099955 /nfs/dbraw/zinc/09/99/55/650099955.db2.gz FZIYSZHDXVHMGB-CXAGYDPISA-N 1 2 397.313 2.070 20 0 GEADLO COC(=O)[C@H]1Cc2c(Br)cccc2CN1CC[N@H+]1CCOC[C@H]1C ZINC000451274149 650099957 /nfs/dbraw/zinc/09/99/57/650099957.db2.gz FZIYSZHDXVHMGB-CXAGYDPISA-N 1 2 397.313 2.070 20 0 GEADLO O=S(=O)(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1sccc1Cl ZINC000451358083 650106848 /nfs/dbraw/zinc/10/68/48/650106848.db2.gz ZSEXCAOFFWXYJU-UONOGXRCSA-N 1 2 386.926 2.315 20 0 GEADLO O=S(=O)(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1sccc1Cl ZINC000451358083 650106850 /nfs/dbraw/zinc/10/68/50/650106850.db2.gz ZSEXCAOFFWXYJU-UONOGXRCSA-N 1 2 386.926 2.315 20 0 GEADLO O=C(C[NH2+][C@H]1CCn2ccnc21)Nc1ccc(I)cc1 ZINC000453208013 650207070 /nfs/dbraw/zinc/20/70/70/650207070.db2.gz IYTHHKJTKOMXRZ-LBPRGKRZSA-N 1 2 382.205 2.161 20 0 GEADLO Cc1nc(CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)sc1Br ZINC000454549099 650269022 /nfs/dbraw/zinc/26/90/22/650269022.db2.gz PXXDPBZEIHGKLO-ONGXEEELSA-N 1 2 391.335 2.122 20 0 GEADLO Cc1nc(CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)sc1Br ZINC000454549093 650269029 /nfs/dbraw/zinc/26/90/29/650269029.db2.gz PXXDPBZEIHGKLO-GXSJLCMTSA-N 1 2 391.335 2.122 20 0 GEADLO C[C@H](CS(C)(=O)=O)N(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455109863 650291068 /nfs/dbraw/zinc/29/10/68/650291068.db2.gz OSWQAUKJSWFHRJ-GFCCVEGCSA-N 1 2 384.889 2.100 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)CCc2c[nH]c[nH+]2)c1 ZINC000456104823 650330779 /nfs/dbraw/zinc/33/07/79/650330779.db2.gz KWWSCSXXGMRKNT-OAHLLOKOSA-N 1 2 382.258 2.305 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)CCc2c[nH+]c[nH]2)c1 ZINC000456104823 650330781 /nfs/dbraw/zinc/33/07/81/650330781.db2.gz KWWSCSXXGMRKNT-OAHLLOKOSA-N 1 2 382.258 2.305 20 0 GEADLO COc1cc(Br)c(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000456199473 650333402 /nfs/dbraw/zinc/33/34/02/650333402.db2.gz GYFFIDSVPCIFMP-TXEJJXNPSA-N 1 2 399.285 2.059 20 0 GEADLO COc1cc(Br)c(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000456199473 650333405 /nfs/dbraw/zinc/33/34/05/650333405.db2.gz GYFFIDSVPCIFMP-TXEJJXNPSA-N 1 2 399.285 2.059 20 0 GEADLO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NCCn1cc[nH+]c1 ZINC000457477413 650379517 /nfs/dbraw/zinc/37/95/17/650379517.db2.gz XSAPJFRHARFCKV-CQSZACIVSA-N 1 2 395.301 2.104 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)c2ncc(Br)cc2Br)c1 ZINC000457857502 650386831 /nfs/dbraw/zinc/38/68/31/650386831.db2.gz MLAGGDZOQGZPOI-UHFFFAOYSA-N 1 2 388.063 2.313 20 0 GEADLO Cc1ncc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c(Cl)c1Cl ZINC000457973873 650391284 /nfs/dbraw/zinc/39/12/84/650391284.db2.gz AUUDIYNTKZTMSC-UHFFFAOYSA-N 1 2 388.295 2.308 20 0 GEADLO CCOC1CN(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000458666361 650406650 /nfs/dbraw/zinc/40/66/50/650406650.db2.gz OQZADAVGYSGOBY-UHFFFAOYSA-N 1 2 381.274 2.378 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCC[C@@H]3CO)[nH+]c12 ZINC000458678050 650407033 /nfs/dbraw/zinc/40/70/33/650407033.db2.gz VFGYYGXPFSYWAY-IUODEOHRSA-N 1 2 395.301 2.408 20 0 GEADLO CSc1ccc([C@H](CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)[NH+](C)C)cc1 ZINC000458894351 650413498 /nfs/dbraw/zinc/41/34/98/650413498.db2.gz MZTVUZDSAVDBMC-BBRMVZONSA-N 1 2 387.571 2.086 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCCc2cccc(Br)c2)CCO1 ZINC000459155308 650420062 /nfs/dbraw/zinc/42/00/62/650420062.db2.gz VNHYLORNVYRQTQ-INIZCTEOSA-N 1 2 384.318 2.402 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCCc2cccc(Br)c2)CCO1 ZINC000459155308 650420065 /nfs/dbraw/zinc/42/00/65/650420065.db2.gz VNHYLORNVYRQTQ-INIZCTEOSA-N 1 2 384.318 2.402 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000459163097 650420379 /nfs/dbraw/zinc/42/03/79/650420379.db2.gz AYCHCFUJHPMNBG-LBPRGKRZSA-N 1 2 387.267 2.009 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000503852787 650423462 /nfs/dbraw/zinc/42/34/62/650423462.db2.gz FLKTZOTWHVYTLZ-UHFFFAOYSA-N 1 2 395.294 2.312 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000503852787 650423465 /nfs/dbraw/zinc/42/34/65/650423465.db2.gz FLKTZOTWHVYTLZ-UHFFFAOYSA-N 1 2 395.294 2.312 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1)c1cccc(F)c1 ZINC000459377933 650423615 /nfs/dbraw/zinc/42/36/15/650423615.db2.gz YHLDDQXPJTWMNV-HNNXBMFYSA-N 1 2 386.880 2.119 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+](CCn2cc(Cl)cn2)C1)c1cccc(F)c1 ZINC000459377933 650423616 /nfs/dbraw/zinc/42/36/16/650423616.db2.gz YHLDDQXPJTWMNV-HNNXBMFYSA-N 1 2 386.880 2.119 20 0 GEADLO COCc1cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)no1 ZINC000459540691 650428077 /nfs/dbraw/zinc/42/80/77/650428077.db2.gz GVRVYFSWZPKFCF-UHFFFAOYSA-N 1 2 394.280 2.196 20 0 GEADLO CCOc1cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc(Br)c1OC(F)F ZINC000459705812 650430158 /nfs/dbraw/zinc/43/01/58/650430158.db2.gz NGCHAMQHHNLVIC-CMPLNLGQSA-N 1 2 396.228 2.234 20 0 GEADLO CCOc1cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)cc(Br)c1OC(F)F ZINC000459705812 650430159 /nfs/dbraw/zinc/43/01/59/650430159.db2.gz NGCHAMQHHNLVIC-CMPLNLGQSA-N 1 2 396.228 2.234 20 0 GEADLO OC[C@@H]1C[N@H+](Cc2cc(Br)ccc2OCc2ccccn2)C[C@@H]1O ZINC000459716817 650431297 /nfs/dbraw/zinc/43/12/97/650431297.db2.gz VZGXPDMOKYJMAS-YOEHRIQHSA-N 1 2 393.281 2.208 20 0 GEADLO OC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)C[C@@H]1O ZINC000459716817 650431299 /nfs/dbraw/zinc/43/12/99/650431299.db2.gz VZGXPDMOKYJMAS-YOEHRIQHSA-N 1 2 393.281 2.208 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000462022301 650464242 /nfs/dbraw/zinc/46/42/42/650464242.db2.gz ZRMSKXHOIUQZNE-VXGBXAGGSA-N 1 2 399.285 2.075 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000462022299 650464293 /nfs/dbraw/zinc/46/42/93/650464293.db2.gz ZRMSKXHOIUQZNE-RYUDHWBXSA-N 1 2 399.285 2.075 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(I)cc1 ZINC000507966437 650470863 /nfs/dbraw/zinc/47/08/63/650470863.db2.gz MUQAHQVRXVZHOT-QWRGUYRKSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(I)cc1 ZINC000507966437 650470865 /nfs/dbraw/zinc/47/08/65/650470865.db2.gz MUQAHQVRXVZHOT-QWRGUYRKSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000507932480 650469849 /nfs/dbraw/zinc/46/98/49/650469849.db2.gz DKTBCTGIFJMOBS-NWDGAFQWSA-N 1 2 390.347 2.228 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000507932480 650469850 /nfs/dbraw/zinc/46/98/50/650469850.db2.gz DKTBCTGIFJMOBS-NWDGAFQWSA-N 1 2 390.347 2.228 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1Br ZINC000507950774 650470391 /nfs/dbraw/zinc/47/03/91/650470391.db2.gz QZWQWSFXBLPJAB-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1Br ZINC000507950774 650470393 /nfs/dbraw/zinc/47/03/93/650470393.db2.gz QZWQWSFXBLPJAB-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COC(=O)C[C@@](C)([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccccn1 ZINC000509138726 650487861 /nfs/dbraw/zinc/48/78/61/650487861.db2.gz MNLFWQXNHPUOCA-QGZVFWFLSA-N 1 2 381.885 2.481 20 0 GEADLO O=C(NCc1cc(Br)cc2c1OCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000462833476 650490760 /nfs/dbraw/zinc/49/07/60/650490760.db2.gz IYEIDDKTJDJTCP-LBPRGKRZSA-N 1 2 376.254 2.459 20 0 GEADLO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)CCc1[nH]cc[nH+]1 ZINC000510109254 650506779 /nfs/dbraw/zinc/50/67/79/650506779.db2.gz KROIIKLYRIJBLB-UHFFFAOYSA-N 1 2 399.314 2.331 20 0 GEADLO CCOc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2C)cc1Br ZINC000470601673 650513400 /nfs/dbraw/zinc/51/34/00/650513400.db2.gz QLRIHQJRBFEMKG-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CCOc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000470601673 650513403 /nfs/dbraw/zinc/51/34/03/650513403.db2.gz QLRIHQJRBFEMKG-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CS(=O)(=O)CCCN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510890401 650520660 /nfs/dbraw/zinc/52/06/60/650520660.db2.gz QPUUVJXMYDKNGX-UHFFFAOYSA-N 1 2 390.303 2.176 20 0 GEADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000474097664 650527146 /nfs/dbraw/zinc/52/71/46/650527146.db2.gz RUKVSILWTYLYBO-MFKMUULPSA-N 1 2 389.315 2.124 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(c2ccccc2Br)CC1 ZINC000476329803 650548596 /nfs/dbraw/zinc/54/85/96/650548596.db2.gz WXXXWRAVFFQDKC-AWEZNQCLSA-N 1 2 392.253 2.104 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(c2ccccc2Br)CC1 ZINC000476329803 650548599 /nfs/dbraw/zinc/54/85/99/650548599.db2.gz WXXXWRAVFFQDKC-AWEZNQCLSA-N 1 2 392.253 2.104 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)COc1ccc(F)cc1Br ZINC000476382174 650549410 /nfs/dbraw/zinc/54/94/10/650549410.db2.gz OVBBKHFMNRCVEG-UHFFFAOYSA-N 1 2 389.265 2.194 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)COc1ccc(F)cc1Br ZINC000476382174 650549411 /nfs/dbraw/zinc/54/94/11/650549411.db2.gz OVBBKHFMNRCVEG-UHFFFAOYSA-N 1 2 389.265 2.194 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)c2c(C)nc3ccc(Br)cn32)CCO1 ZINC000477090581 650568091 /nfs/dbraw/zinc/56/80/91/650568091.db2.gz QVYYDTCQJYQCEC-CQSZACIVSA-N 1 2 395.301 2.246 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2c(C)nc3ccc(Br)cn32)CCO1 ZINC000477090581 650568095 /nfs/dbraw/zinc/56/80/95/650568095.db2.gz QVYYDTCQJYQCEC-CQSZACIVSA-N 1 2 395.301 2.246 20 0 GEADLO CS[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)C(C)(C)C ZINC000478874070 650592085 /nfs/dbraw/zinc/59/20/85/650592085.db2.gz XFFBSKXUYSMRCG-HNNXBMFYSA-N 1 2 383.583 2.116 20 0 GEADLO CS[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)C(C)(C)C ZINC000478874070 650592086 /nfs/dbraw/zinc/59/20/86/650592086.db2.gz XFFBSKXUYSMRCG-HNNXBMFYSA-N 1 2 383.583 2.116 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000520611930 650615499 /nfs/dbraw/zinc/61/54/99/650615499.db2.gz WAXRQQKKDAYTJN-NXEZZACHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000520611930 650615502 /nfs/dbraw/zinc/61/55/02/650615502.db2.gz WAXRQQKKDAYTJN-NXEZZACHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000520611933 650615523 /nfs/dbraw/zinc/61/55/23/650615523.db2.gz WAXRQQKKDAYTJN-ZJUUUORDSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000520611933 650615525 /nfs/dbraw/zinc/61/55/25/650615525.db2.gz WAXRQQKKDAYTJN-ZJUUUORDSA-N 1 2 395.294 2.310 20 0 GEADLO C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CCS1(=O)=O ZINC000521742063 650619468 /nfs/dbraw/zinc/61/94/68/650619468.db2.gz KPWLLUSOVIQTQO-BBRMVZONSA-N 1 2 387.933 2.161 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000480470417 650622858 /nfs/dbraw/zinc/62/28/58/650622858.db2.gz RAWINJPKLJLJJL-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO CN(C)c1ccc(Br)c(S(=O)(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000480769110 650631626 /nfs/dbraw/zinc/63/16/26/650631626.db2.gz LKQUJNQSGBRIFK-UHFFFAOYSA-N 1 2 388.331 2.055 20 0 GEADLO CN(C)c1ccc(Br)c(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000480769110 650631629 /nfs/dbraw/zinc/63/16/29/650631629.db2.gz LKQUJNQSGBRIFK-UHFFFAOYSA-N 1 2 388.331 2.055 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(Br)c1 ZINC000480905492 650637167 /nfs/dbraw/zinc/63/71/67/650637167.db2.gz YTKDYBRGLPYGLE-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(Br)c1 ZINC000480905492 650637168 /nfs/dbraw/zinc/63/71/68/650637168.db2.gz YTKDYBRGLPYGLE-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CC(n2cc[nH+]c2)C1 ZINC000524374350 650640678 /nfs/dbraw/zinc/64/06/78/650640678.db2.gz QMWWMCNROYUODF-GFCCVEGCSA-N 1 2 389.253 2.082 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1F)Cn1cc[nH+]c1 ZINC000481467686 650646977 /nfs/dbraw/zinc/64/69/77/650646977.db2.gz VGOYOSOARFNEJY-JTQLQIEISA-N 1 2 376.251 2.399 20 0 GEADLO Cc1nccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1Br ZINC000525847311 650659341 /nfs/dbraw/zinc/65/93/41/650659341.db2.gz ZWIRDZFGZBMSSW-LBPRGKRZSA-N 1 2 376.258 2.370 20 0 GEADLO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000526220536 650664410 /nfs/dbraw/zinc/66/44/10/650664410.db2.gz QFHRYTKWBWHOOH-GFCCVEGCSA-N 1 2 392.253 2.091 20 0 GEADLO CC(C)[C@@H](CC(F)(F)F)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000527335588 650673186 /nfs/dbraw/zinc/67/31/86/650673186.db2.gz KWZIVWSNGGBYMZ-UKRRQHHQSA-N 1 2 383.480 2.471 20 0 GEADLO Cn1cc(-c2nc(C[NH2+]CCS(=O)(=O)c3ccc(F)cc3)cs2)cn1 ZINC000527678263 650681890 /nfs/dbraw/zinc/68/18/90/650681890.db2.gz YIPLHOYXHZHTLX-UHFFFAOYSA-N 1 2 380.470 2.246 20 0 GEADLO CNC(=O)NC[C@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CCO1 ZINC000528122071 650685412 /nfs/dbraw/zinc/68/54/12/650685412.db2.gz LJGXIFBGAMPSIN-JTQLQIEISA-N 1 2 397.248 2.271 20 0 GEADLO CNC(=O)NC[C@H]1CN(c2cc[nH+]c3cc(F)c(Br)cc32)CCO1 ZINC000528122885 650685444 /nfs/dbraw/zinc/68/54/44/650685444.db2.gz SUSGJKNEWKNLMY-JTQLQIEISA-N 1 2 397.248 2.271 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000528539339 650695598 /nfs/dbraw/zinc/69/55/98/650695598.db2.gz WDTKZZWBPNTPGM-UHFFFAOYSA-N 1 2 376.881 2.355 20 0 GEADLO CC(C)[C@H](CNC(=O)c1cc(O)cc(Br)c1)N1CC[NH+](C)CC1 ZINC000528556311 650696702 /nfs/dbraw/zinc/69/67/02/650696702.db2.gz WICGMHJWNAODAP-INIZCTEOSA-N 1 2 384.318 2.157 20 0 GEADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[C@@]3(C)Br)c2)CC1 ZINC000529122176 650701541 /nfs/dbraw/zinc/70/15/41/650701541.db2.gz WJEFVWULTLFILY-FUHWJXTLSA-N 1 2 394.313 2.463 20 0 GEADLO Cc1cc(Br)cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC000529754372 650706855 /nfs/dbraw/zinc/70/68/55/650706855.db2.gz VMCBVIGUUDNDRZ-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1cc(Br)cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC000529754372 650706858 /nfs/dbraw/zinc/70/68/58/650706858.db2.gz VMCBVIGUUDNDRZ-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC)CC[N@@H+]1CCOC ZINC000486094065 650707293 /nfs/dbraw/zinc/70/72/93/650707293.db2.gz LODFBVFILYEBIA-HNNXBMFYSA-N 1 2 390.933 2.470 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC)CC[N@H+]1CCOC ZINC000486094065 650707296 /nfs/dbraw/zinc/70/72/96/650707296.db2.gz LODFBVFILYEBIA-HNNXBMFYSA-N 1 2 390.933 2.470 20 0 GEADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)c3ccoc3Br)ccn2)CC1 ZINC000486159374 650707561 /nfs/dbraw/zinc/70/75/61/650707561.db2.gz SHNNNLBWQAQBOQ-UHFFFAOYSA-N 1 2 393.241 2.077 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000530031211 650710566 /nfs/dbraw/zinc/71/05/66/650710566.db2.gz CHUSGNIKEGGUHB-FZMZJTMJSA-N 1 2 379.309 2.147 20 0 GEADLO COC[C@H](C)S(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486580788 650716413 /nfs/dbraw/zinc/71/64/13/650716413.db2.gz XXMRSCLHAQWGSA-VUCTXSBTSA-N 1 2 376.469 2.443 20 0 GEADLO COC[C@H](C)S(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486580788 650716416 /nfs/dbraw/zinc/71/64/16/650716416.db2.gz XXMRSCLHAQWGSA-VUCTXSBTSA-N 1 2 376.469 2.443 20 0 GEADLO CC(=O)N1CCC[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000011419747 642368452 /nfs/dbraw/zinc/36/84/52/642368452.db2.gz YZOCOYSGAGUOPG-CYBMUJFWSA-N 1 2 382.302 2.181 20 0 GEADLO CC(=O)N1CCC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000011419747 642368454 /nfs/dbraw/zinc/36/84/54/642368454.db2.gz YZOCOYSGAGUOPG-CYBMUJFWSA-N 1 2 382.302 2.181 20 0 GEADLO Cc1cc(N)nc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[nH+]1 ZINC000011396816 642368626 /nfs/dbraw/zinc/36/86/26/642368626.db2.gz ZYGGCSKBRHTVEE-UHFFFAOYSA-N 1 2 377.495 2.137 20 0 GEADLO Cc1nc(CN2CCN(C(=O)C[N@@H+]3CCc4sccc4C3)CC2)cs1 ZINC000022550083 642408303 /nfs/dbraw/zinc/40/83/03/642408303.db2.gz CVBZULUGYCIFTB-UHFFFAOYSA-N 1 2 376.551 2.216 20 0 GEADLO Cc1nc(CN2CCN(C(=O)C[N@H+]3CCc4sccc4C3)CC2)cs1 ZINC000022550083 642408308 /nfs/dbraw/zinc/40/83/08/642408308.db2.gz CVBZULUGYCIFTB-UHFFFAOYSA-N 1 2 376.551 2.216 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)c1cc(F)cc(F)c1)[NH+]1CCOCC1 ZINC000028049680 642444355 /nfs/dbraw/zinc/44/43/55/642444355.db2.gz SZTRJXDJBDXXAH-KRWDZBQOSA-N 1 2 376.469 2.380 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000533116634 650757715 /nfs/dbraw/zinc/75/77/15/650757715.db2.gz XTHUNGZCUFULNL-INIZCTEOSA-N 1 2 383.279 2.449 20 0 GEADLO CC(=O)c1ccc(NC(=S)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000041746089 642531413 /nfs/dbraw/zinc/53/14/13/642531413.db2.gz QYRPXXAOOTXLCR-SFHVURJKSA-N 1 2 379.551 2.384 20 0 GEADLO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000041993011 642537742 /nfs/dbraw/zinc/53/77/42/642537742.db2.gz YSWXXHMVYALTHI-GFCCVEGCSA-N 1 2 379.258 2.406 20 0 GEADLO CC(C)([NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1)c1nccs1 ZINC000533382173 650760499 /nfs/dbraw/zinc/76/04/99/650760499.db2.gz DJGGIMGYEMCING-UHFFFAOYSA-N 1 2 378.523 2.014 20 0 GEADLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000042641492 642554381 /nfs/dbraw/zinc/55/43/81/642554381.db2.gz COCMTEDTLZOJOD-ZDUSSCGKSA-N 1 2 387.571 2.184 20 0 GEADLO O=C(NNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cc(Br)c[nH]1 ZINC000044956253 642584531 /nfs/dbraw/zinc/58/45/31/642584531.db2.gz OBFPSHJCAAKKFQ-UHFFFAOYSA-N 1 2 388.225 2.097 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2Br)CC1 ZINC000046052052 642602569 /nfs/dbraw/zinc/60/25/69/642602569.db2.gz RZNYXMBYKMOFDG-UHFFFAOYSA-N 1 2 396.329 2.465 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccccc2Br)CC1 ZINC000046052052 642602579 /nfs/dbraw/zinc/60/25/79/642602579.db2.gz RZNYXMBYKMOFDG-UHFFFAOYSA-N 1 2 396.329 2.465 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)COc1ccc(Br)cc1Cl ZINC000046887523 642618836 /nfs/dbraw/zinc/61/88/36/642618836.db2.gz SRZQLZZOAUGSCX-NSHDSACASA-N 1 2 391.693 2.318 20 0 GEADLO COc1ccc(CCC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1Br ZINC000046889351 642618964 /nfs/dbraw/zinc/61/89/64/642618964.db2.gz BUOIFVFDECOHGD-ZDUSSCGKSA-N 1 2 385.302 2.227 20 0 GEADLO C[C@H](NC(=O)C[N@H+](CC(N)=O)C1CCCC1)c1ccc(Br)cc1 ZINC000047274205 642626968 /nfs/dbraw/zinc/62/69/68/642626968.db2.gz LUOUFFMCQCWECO-LBPRGKRZSA-N 1 2 382.302 2.356 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](CC(N)=O)C1CCCC1)c1ccc(Br)cc1 ZINC000047274205 642626973 /nfs/dbraw/zinc/62/69/73/642626973.db2.gz LUOUFFMCQCWECO-LBPRGKRZSA-N 1 2 382.302 2.356 20 0 GEADLO C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000047302675 642627976 /nfs/dbraw/zinc/62/79/76/642627976.db2.gz QHHFQBRWSWQNDP-SWLSCSKDSA-N 1 2 384.498 2.469 20 0 GEADLO CC(C)C[NH+]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000049970056 642673231 /nfs/dbraw/zinc/67/32/31/642673231.db2.gz ASLGXOMDHUNHTI-UHFFFAOYSA-N 1 2 389.359 2.496 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000052749906 642726768 /nfs/dbraw/zinc/72/67/68/642726768.db2.gz VMULVWPVLMRXBV-STQMWFEESA-N 1 2 391.269 2.203 20 0 GEADLO CN(CCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC(F)(F)F ZINC000535256647 650786473 /nfs/dbraw/zinc/78/64/73/650786473.db2.gz QBURLSJFIZCDDD-UHFFFAOYSA-N 1 2 378.464 2.460 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCc1ccc(F)c(Br)c1 ZINC000057128930 642806330 /nfs/dbraw/zinc/80/63/30/642806330.db2.gz YKMVGCPCBIVKPH-LBPRGKRZSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000057843116 642818969 /nfs/dbraw/zinc/81/89/69/642818969.db2.gz XKZMYYSFLHXWDU-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000057843116 642818973 /nfs/dbraw/zinc/81/89/73/642818973.db2.gz XKZMYYSFLHXWDU-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000065167826 642878648 /nfs/dbraw/zinc/87/86/48/642878648.db2.gz INHPOBCELRZVME-UHFFFAOYSA-N 1 2 378.947 2.403 20 0 GEADLO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000536004335 650794019 /nfs/dbraw/zinc/79/40/19/650794019.db2.gz RXCWFMNOUZAVMW-SECBINFHSA-N 1 2 383.258 2.347 20 0 GEADLO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000536004335 650794022 /nfs/dbraw/zinc/79/40/22/650794022.db2.gz RXCWFMNOUZAVMW-SECBINFHSA-N 1 2 383.258 2.347 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc2nn(C[N@H+](C)CC(C)C)c(=S)n2c1 ZINC000065943557 642892897 /nfs/dbraw/zinc/89/28/97/642892897.db2.gz KESCEJQXMJLALZ-UHFFFAOYSA-N 1 2 385.559 2.441 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc2nn(C[N@@H+](C)CC(C)C)c(=S)n2c1 ZINC000065943557 642892900 /nfs/dbraw/zinc/89/29/00/642892900.db2.gz KESCEJQXMJLALZ-UHFFFAOYSA-N 1 2 385.559 2.441 20 0 GEADLO CC[C@H]([NH2+]Cc1nc(Br)c(Br)n1CC)C(=O)NC ZINC000922169820 654373058 /nfs/dbraw/zinc/37/30/58/654373058.db2.gz GHRCQWQMJCDWJZ-ZETCQYMHSA-N 1 2 382.100 2.042 20 0 GEADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCOC)Cc1ccc(Br)s1 ZINC000494274673 650803431 /nfs/dbraw/zinc/80/34/31/650803431.db2.gz RYVMHSDEYGMANU-SNVBAGLBSA-N 1 2 392.319 2.193 20 0 GEADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCOC)Cc1ccc(Br)s1 ZINC000494274673 650803433 /nfs/dbraw/zinc/80/34/33/650803433.db2.gz RYVMHSDEYGMANU-SNVBAGLBSA-N 1 2 392.319 2.193 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000068506583 643004148 /nfs/dbraw/zinc/00/41/48/643004148.db2.gz ZLKWYUCNRYZVQR-UHFFFAOYSA-N 1 2 384.885 2.325 20 0 GEADLO C[C@@H]1CCC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000068837750 643012545 /nfs/dbraw/zinc/01/25/45/643012545.db2.gz YEIAGVVFFIWFBO-HZPDHXFCSA-N 1 2 384.567 2.386 20 0 GEADLO C[C@@H]1CCC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000068837750 643012551 /nfs/dbraw/zinc/01/25/51/643012551.db2.gz YEIAGVVFFIWFBO-HZPDHXFCSA-N 1 2 384.567 2.386 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCc2c1cccc2Br ZINC000069769410 643040007 /nfs/dbraw/zinc/04/00/07/643040007.db2.gz FNNQACWMWXPATA-WBMJQRKESA-N 1 2 382.302 2.456 20 0 GEADLO C[C@@H]1CN(CCS(=O)(=O)CC[N@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@H](C)S1 ZINC000072769033 643063421 /nfs/dbraw/zinc/06/34/21/643063421.db2.gz NUSARBDVGJONLS-GEEKYZPCSA-N 1 2 380.645 2.053 20 0 GEADLO C[C@@H]1CN(CCS(=O)(=O)CC[N@@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@H](C)S1 ZINC000072769033 643063424 /nfs/dbraw/zinc/06/34/24/643063424.db2.gz NUSARBDVGJONLS-GEEKYZPCSA-N 1 2 380.645 2.053 20 0 GEADLO COc1cccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1OC(F)F ZINC000092530230 643071572 /nfs/dbraw/zinc/07/15/72/643071572.db2.gz WXKVYVRFKGQICY-UHFFFAOYSA-N 1 2 378.441 2.152 20 0 GEADLO O=C(CNC(=O)c1cccc(Br)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101950729 643118863 /nfs/dbraw/zinc/11/88/63/643118863.db2.gz MTGULZUBQOVAQO-UHFFFAOYSA-N 1 2 391.269 2.239 20 0 GEADLO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000494792852 650816650 /nfs/dbraw/zinc/81/66/50/650816650.db2.gz SHTIGCSJWPAOIP-JTQLQIEISA-N 1 2 399.236 2.017 20 0 GEADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000103494222 643168697 /nfs/dbraw/zinc/16/86/97/643168697.db2.gz STHYUYFLBCQAIM-OAHLLOKOSA-N 1 2 398.345 2.108 20 0 GEADLO CSc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000537629449 650818995 /nfs/dbraw/zinc/81/89/95/650818995.db2.gz HKORZXWBJRJBTR-GFCCVEGCSA-N 1 2 379.345 2.424 20 0 GEADLO CSc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000537629449 650818999 /nfs/dbraw/zinc/81/89/99/650818999.db2.gz HKORZXWBJRJBTR-GFCCVEGCSA-N 1 2 379.345 2.424 20 0 GEADLO O=[S@](CC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000104664403 643187443 /nfs/dbraw/zinc/18/74/43/643187443.db2.gz SYTNBEAAZRGLLS-DEOSSOPVSA-N 1 2 398.575 2.299 20 0 GEADLO C[C@@H](NC(=O)NCc1cc(F)cc(Br)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000105170964 643200629 /nfs/dbraw/zinc/20/06/29/643200629.db2.gz BXBXDJMOWBKEIS-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](C)CCNC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000537708187 650821694 /nfs/dbraw/zinc/82/16/94/650821694.db2.gz UOPJEQMKVCVARG-LLVKDONJSA-N 1 2 375.300 2.374 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](C)CCNC(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000537708187 650821696 /nfs/dbraw/zinc/82/16/96/650821696.db2.gz UOPJEQMKVCVARG-LLVKDONJSA-N 1 2 375.300 2.374 20 0 GEADLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000106241918 643226717 /nfs/dbraw/zinc/22/67/17/643226717.db2.gz FHRQIFLARSGPGO-RYUDHWBXSA-N 1 2 382.511 2.071 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000537747698 650822956 /nfs/dbraw/zinc/82/29/56/650822956.db2.gz FIZVZQVYYVHVEH-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000537747698 650822958 /nfs/dbraw/zinc/82/29/58/650822958.db2.gz FIZVZQVYYVHVEH-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000537749581 650823048 /nfs/dbraw/zinc/82/30/48/650823048.db2.gz MRGWHZVJYOPSCO-DTWKUNHWSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000537749581 650823051 /nfs/dbraw/zinc/82/30/51/650823051.db2.gz MRGWHZVJYOPSCO-DTWKUNHWSA-N 1 2 383.258 2.440 20 0 GEADLO CCOc1ccc(Br)cc1C[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000107303734 643253881 /nfs/dbraw/zinc/25/38/81/643253881.db2.gz JKJZMHPMOKBQRF-UHFFFAOYSA-N 1 2 391.331 2.361 20 0 GEADLO CCOc1ccc(Br)cc1C[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000107303734 643253885 /nfs/dbraw/zinc/25/38/85/643253885.db2.gz JKJZMHPMOKBQRF-UHFFFAOYSA-N 1 2 391.331 2.361 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1csc(I)c1)[NH+]1CCOCC1 ZINC000107595643 643258433 /nfs/dbraw/zinc/25/84/33/643258433.db2.gz SEYUAEMIMAFCFS-VHSXEESVSA-N 1 2 394.278 2.192 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)o1 ZINC000107698369 643260185 /nfs/dbraw/zinc/26/01/85/643260185.db2.gz BPURPIUGWAOETC-GFCCVEGCSA-N 1 2 384.479 2.243 20 0 GEADLO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000110266294 643309305 /nfs/dbraw/zinc/30/93/05/643309305.db2.gz ZZBPMNUJSGNBRK-ZDUSSCGKSA-N 1 2 397.317 2.267 20 0 GEADLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000110266294 643309307 /nfs/dbraw/zinc/30/93/07/643309307.db2.gz ZZBPMNUJSGNBRK-ZDUSSCGKSA-N 1 2 397.317 2.267 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2OC)C[C@@H]1C ZINC000110694170 643318179 /nfs/dbraw/zinc/31/81/79/643318179.db2.gz UMUXBIWVHYGORR-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2OC)C[C@@H]1C ZINC000110694170 643318181 /nfs/dbraw/zinc/31/81/81/643318181.db2.gz UMUXBIWVHYGORR-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2ccc(I)cc2)CC1 ZINC000110924129 643322702 /nfs/dbraw/zinc/32/27/02/643322702.db2.gz DYQQWPOVZUVDTD-UHFFFAOYSA-N 1 2 388.249 2.086 20 0 GEADLO COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000111217175 643329419 /nfs/dbraw/zinc/32/94/19/643329419.db2.gz FWWMUYITYDHFMN-OAHLLOKOSA-N 1 2 389.279 2.388 20 0 GEADLO COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000111217175 643329422 /nfs/dbraw/zinc/32/94/22/643329422.db2.gz FWWMUYITYDHFMN-OAHLLOKOSA-N 1 2 389.279 2.388 20 0 GEADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)N3CCC[C@H](C)C3)CC2)cs1 ZINC000111357700 643337680 /nfs/dbraw/zinc/33/76/80/643337680.db2.gz UZCXDSMJTHIDRQ-AWEZNQCLSA-N 1 2 386.587 2.230 20 0 GEADLO COc1cc(S(=O)(=O)NCCCCn2cc[nH+]c2)ccc1Br ZINC000538277210 650833473 /nfs/dbraw/zinc/83/34/73/650833473.db2.gz ZCKUTIXYPLUWSR-UHFFFAOYSA-N 1 2 388.287 2.413 20 0 GEADLO C[C@H](NC(=O)C[N@H+](C)CCN1CCCC1=O)c1ccc(Br)cc1 ZINC000112703771 643369289 /nfs/dbraw/zinc/36/92/89/643369289.db2.gz GAYQESLCJAPILA-ZDUSSCGKSA-N 1 2 382.302 2.181 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](C)CCN1CCCC1=O)c1ccc(Br)cc1 ZINC000112703771 643369294 /nfs/dbraw/zinc/36/92/94/643369294.db2.gz GAYQESLCJAPILA-ZDUSSCGKSA-N 1 2 382.302 2.181 20 0 GEADLO CCCC[C@@H](C(=O)OC)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000112731964 643371983 /nfs/dbraw/zinc/37/19/83/643371983.db2.gz PBBVNODBPOABHX-ZDUSSCGKSA-N 1 2 388.452 2.007 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cn2c1 ZINC000113458879 643398495 /nfs/dbraw/zinc/39/84/95/643398495.db2.gz XJEVGUAVAKJTBA-UONOGXRCSA-N 1 2 383.539 2.156 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)CS(=O)(=O)CC)c1ccsc1 ZINC000113590852 643401030 /nfs/dbraw/zinc/40/10/30/643401030.db2.gz ZQAPSKUZHSDMME-HIFRSBDPSA-N 1 2 375.560 2.253 20 0 GEADLO CCN(CC)c1ncc(C[N@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)s1 ZINC000120114801 643592879 /nfs/dbraw/zinc/59/28/79/643592879.db2.gz OBRUBLMDIYQGPJ-AWEZNQCLSA-N 1 2 375.560 2.015 20 0 GEADLO CCN(CC)c1ncc(C[N@@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)s1 ZINC000120114801 643592882 /nfs/dbraw/zinc/59/28/82/643592882.db2.gz OBRUBLMDIYQGPJ-AWEZNQCLSA-N 1 2 375.560 2.015 20 0 GEADLO CC(=O)N[C@H](CC(=O)NCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000125052691 643699247 /nfs/dbraw/zinc/69/92/47/643699247.db2.gz VDBGBWJPDTUONU-MRXNPFEDSA-N 1 2 393.285 2.419 20 0 GEADLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(Br)c(F)c3)C2)CC1 ZINC000127155784 643759795 /nfs/dbraw/zinc/75/97/95/643759795.db2.gz MAZRCTDKNOTUPH-HNNXBMFYSA-N 1 2 398.320 2.369 20 0 GEADLO O=S(=O)(NCC[NH2+]Cc1cnn(-c2ccccc2)n1)c1ccc(Cl)s1 ZINC000127920782 643788673 /nfs/dbraw/zinc/78/86/73/643788673.db2.gz SUEMZCNCMGVDHO-UHFFFAOYSA-N 1 2 397.913 2.050 20 0 GEADLO NC(=O)c1csc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000130379131 643837279 /nfs/dbraw/zinc/83/72/79/643837279.db2.gz XTVBASAQZDLPGU-UHFFFAOYSA-N 1 2 381.299 2.327 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000130748705 643849211 /nfs/dbraw/zinc/84/92/11/643849211.db2.gz CFGMCOPSHXSOTH-CQSZACIVSA-N 1 2 380.794 2.124 20 0 GEADLO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(OC)c(Br)s2)CC1 ZINC000131022345 643859972 /nfs/dbraw/zinc/85/99/72/643859972.db2.gz UCJAZOMRIBFFGY-SNVBAGLBSA-N 1 2 377.304 2.048 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](Cc3ccc(-c4cccc(Br)c4)o3)C[C@@H]12 ZINC000499228782 650876384 /nfs/dbraw/zinc/87/63/84/650876384.db2.gz NONTUTDSEVZWGZ-AWEZNQCLSA-N 1 2 390.237 2.445 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](Cc3ccc(-c4cccc(Br)c4)o3)C[C@@H]12 ZINC000499228782 650876386 /nfs/dbraw/zinc/87/63/86/650876386.db2.gz NONTUTDSEVZWGZ-AWEZNQCLSA-N 1 2 390.237 2.445 20 0 GEADLO Cc1nn(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)c(C)c1Br ZINC000133943952 643898942 /nfs/dbraw/zinc/89/89/42/643898942.db2.gz VPZINJMRGLWBPV-UHFFFAOYSA-N 1 2 391.269 2.448 20 0 GEADLO Cc1nn(C[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)c(C)c1Br ZINC000133943952 643898944 /nfs/dbraw/zinc/89/89/44/643898944.db2.gz VPZINJMRGLWBPV-UHFFFAOYSA-N 1 2 391.269 2.448 20 0 GEADLO CCOC(=O)C[C@@H](C)[N@H+](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000541334220 650874686 /nfs/dbraw/zinc/87/46/86/650874686.db2.gz RDTPIMSDGUJSTB-GFCCVEGCSA-N 1 2 392.315 2.496 20 0 GEADLO CCOC(=O)C[C@@H](C)[N@@H+](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000541334220 650874689 /nfs/dbraw/zinc/87/46/89/650874689.db2.gz RDTPIMSDGUJSTB-GFCCVEGCSA-N 1 2 392.315 2.496 20 0 GEADLO CCOCCO[C@H]1CC[N@H+](Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000138420309 643922944 /nfs/dbraw/zinc/92/29/44/643922944.db2.gz RDXVOKQODFZJLR-ZDUSSCGKSA-N 1 2 385.258 2.442 20 0 GEADLO CCOCCO[C@H]1CC[N@@H+](Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000138420309 643922947 /nfs/dbraw/zinc/92/29/47/643922947.db2.gz RDXVOKQODFZJLR-ZDUSSCGKSA-N 1 2 385.258 2.442 20 0 GEADLO COCCc1noc(C[N@H+](C)CCC(=O)Nc2cccc(Br)c2)n1 ZINC000151084335 643930087 /nfs/dbraw/zinc/93/00/87/643930087.db2.gz HUPVBFKFWSAEFQ-UHFFFAOYSA-N 1 2 397.273 2.482 20 0 GEADLO COCCc1noc(C[N@@H+](C)CCC(=O)Nc2cccc(Br)c2)n1 ZINC000151084335 643930091 /nfs/dbraw/zinc/93/00/91/643930091.db2.gz HUPVBFKFWSAEFQ-UHFFFAOYSA-N 1 2 397.273 2.482 20 0 GEADLO C[N@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000151742336 643952860 /nfs/dbraw/zinc/95/28/60/643952860.db2.gz FCGBXBBUMKTCFR-YOEHRIQHSA-N 1 2 396.285 2.284 20 0 GEADLO C[N@@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000151742336 643952866 /nfs/dbraw/zinc/95/28/66/643952866.db2.gz FCGBXBBUMKTCFR-YOEHRIQHSA-N 1 2 396.285 2.284 20 0 GEADLO CCOCCNC(=O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153297004 643983472 /nfs/dbraw/zinc/98/34/72/643983472.db2.gz SZTSTFSPQDKMSF-UHFFFAOYSA-N 1 2 388.339 2.306 20 0 GEADLO C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)Cn1cc[nH+]c1 ZINC000153669200 643999197 /nfs/dbraw/zinc/99/91/97/643999197.db2.gz SNDYMAHDJAFSGC-QWRGUYRKSA-N 1 2 399.314 2.278 20 0 GEADLO C[C@H](CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1)Cn1cc[nH+]c1 ZINC000153669081 643999349 /nfs/dbraw/zinc/99/93/49/643999349.db2.gz SNDYMAHDJAFSGC-GHMZBOCLSA-N 1 2 399.314 2.278 20 0 GEADLO C[C@H](CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)Cn1cc[nH+]c1 ZINC000153787004 644006183 /nfs/dbraw/zinc/00/61/83/644006183.db2.gz ZIJOAPCLLZJQMU-LLVKDONJSA-N 1 2 375.372 2.243 20 0 GEADLO CN(CC(=O)NNc1cc[nH+]cc1Cl)C(=O)c1ccc(Br)o1 ZINC000154528819 644049412 /nfs/dbraw/zinc/04/94/12/644049412.db2.gz JIDHLJBEMNGOEP-UHFFFAOYSA-N 1 2 387.621 2.306 20 0 GEADLO CSc1cc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(Cl)cc1Cl ZINC000154639591 644057184 /nfs/dbraw/zinc/05/71/84/644057184.db2.gz NHJLHMKYTIBSIN-NSHDSACASA-N 1 2 393.336 2.480 20 0 GEADLO Cc1ccc(S(=O)(=O)N(C)CC(=O)NNc2cc[nH+]cc2Cl)cc1C ZINC000154633653 644057249 /nfs/dbraw/zinc/05/72/49/644057249.db2.gz RYRFBTVTRZDNBF-UHFFFAOYSA-N 1 2 382.873 2.116 20 0 GEADLO C[C@H](CNC(=O)Cc1c[nH]c2cccc(Br)c12)[NH+]1CCN(C)CC1 ZINC000154660496 644058589 /nfs/dbraw/zinc/05/85/89/644058589.db2.gz FCMRJPXPTQVNBX-CYBMUJFWSA-N 1 2 393.329 2.225 20 0 GEADLO C[C@H](OC[C@@H](O)C[N@H+](CCS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000156863959 644122018 /nfs/dbraw/zinc/12/20/18/644122018.db2.gz RYBGTOFVHFRIEL-GUYCJALGSA-N 1 2 375.918 2.288 20 0 GEADLO C[C@H](OC[C@@H](O)C[N@@H+](CCS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000156863959 644122020 /nfs/dbraw/zinc/12/20/20/644122020.db2.gz RYBGTOFVHFRIEL-GUYCJALGSA-N 1 2 375.918 2.288 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000542985134 650896946 /nfs/dbraw/zinc/89/69/46/650896946.db2.gz ZPQQISLDDUOXGR-UHFFFAOYSA-N 1 2 386.271 2.208 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1ncc(Br)s1)NCc1ccccc1 ZINC000542946883 650895674 /nfs/dbraw/zinc/89/56/74/650895674.db2.gz CNDNTTZCBZUZFN-UHFFFAOYSA-N 1 2 390.328 2.115 20 0 GEADLO COc1cc(C[N@@H+]2CCC[C@H](O)C2)cc(I)c1OC ZINC000158785114 644159567 /nfs/dbraw/zinc/15/95/67/644159567.db2.gz QIPZOWYSBCTXJE-NSHDSACASA-N 1 2 377.222 2.265 20 0 GEADLO COc1cc(C[N@H+]2CCC[C@H](O)C2)cc(I)c1OC ZINC000158785114 644159571 /nfs/dbraw/zinc/15/95/71/644159571.db2.gz QIPZOWYSBCTXJE-NSHDSACASA-N 1 2 377.222 2.265 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000158944747 644169266 /nfs/dbraw/zinc/16/92/66/644169266.db2.gz PPEWZZURQPARQJ-JTQLQIEISA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000158944747 644169275 /nfs/dbraw/zinc/16/92/75/644169275.db2.gz PPEWZZURQPARQJ-JTQLQIEISA-N 1 2 396.738 2.108 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cs1 ZINC000159196039 644180050 /nfs/dbraw/zinc/18/00/50/644180050.db2.gz XHWOBRDIHPECSF-UHFFFAOYSA-N 1 2 379.507 2.467 20 0 GEADLO CC[N@H+](Cc1cc2c(c(Br)c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000170835332 644290925 /nfs/dbraw/zinc/29/09/25/644290925.db2.gz BSYVFQJOOOIFRH-NSHDSACASA-N 1 2 376.272 2.187 20 0 GEADLO CC[N@@H+](Cc1cc2c(c(Br)c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000170835332 644290927 /nfs/dbraw/zinc/29/09/27/644290927.db2.gz BSYVFQJOOOIFRH-NSHDSACASA-N 1 2 376.272 2.187 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccccc1I ZINC000170866126 644293890 /nfs/dbraw/zinc/29/38/90/644293890.db2.gz NVWUIWDTTZLIBL-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccccc1I ZINC000170866126 644293894 /nfs/dbraw/zinc/29/38/94/644293894.db2.gz NVWUIWDTTZLIBL-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)COc1ccc(Br)cc1F ZINC000170866598 644293943 /nfs/dbraw/zinc/29/39/43/644293943.db2.gz UKOSPRQZEKRMMF-UHFFFAOYSA-N 1 2 389.265 2.194 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)COc1ccc(Br)cc1F ZINC000170866598 644293950 /nfs/dbraw/zinc/29/39/50/644293950.db2.gz UKOSPRQZEKRMMF-UHFFFAOYSA-N 1 2 389.265 2.194 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cc2c(c(Br)c1)OCO2)[NH+]1CCOCC1 ZINC000170887242 644295457 /nfs/dbraw/zinc/29/54/57/644295457.db2.gz FEWATJVXOZCPFM-WDEREUQCSA-N 1 2 385.258 2.017 20 0 GEADLO COC(=O)c1coc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000171108882 644310970 /nfs/dbraw/zinc/31/09/70/644310970.db2.gz GVKVALSPWZBJOM-UHFFFAOYSA-N 1 2 384.479 2.071 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000171906251 644334132 /nfs/dbraw/zinc/33/41/32/644334132.db2.gz JAPNFLSXKBVPAF-HNNXBMFYSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000171906251 644334136 /nfs/dbraw/zinc/33/41/36/644334136.db2.gz JAPNFLSXKBVPAF-HNNXBMFYSA-N 1 2 390.311 2.437 20 0 GEADLO Cc1cc2c(cc1Br)N(C[C@H](O)C[NH+]1CCOCC1)C[C@H](C)O2 ZINC000175598403 644392143 /nfs/dbraw/zinc/39/21/43/644392143.db2.gz WRIRKBPUZJIKSV-UONOGXRCSA-N 1 2 385.302 2.038 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)NCC[NH+]2CCCCC2)ccc1Br ZINC000180182595 644493680 /nfs/dbraw/zinc/49/36/80/644493680.db2.gz MNSFLALQDVLEGL-UHFFFAOYSA-N 1 2 389.315 2.416 20 0 GEADLO Cc1cc[nH+]c(NNC(=O)c2cc3c(cc2Br)NC(=O)CO3)c1 ZINC000180826543 644515461 /nfs/dbraw/zinc/51/54/61/644515461.db2.gz VRNSKXSCOXTYIF-UHFFFAOYSA-N 1 2 377.198 2.240 20 0 GEADLO Cc1csc(=O)n1CC[N@@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181062572 644522966 /nfs/dbraw/zinc/52/29/66/644522966.db2.gz AFSUBBFBQXOLSI-CYBMUJFWSA-N 1 2 384.299 2.139 20 0 GEADLO Cc1csc(=O)n1CC[N@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181062572 644522967 /nfs/dbraw/zinc/52/29/67/644522967.db2.gz AFSUBBFBQXOLSI-CYBMUJFWSA-N 1 2 384.299 2.139 20 0 GEADLO NC(=O)c1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cn1 ZINC000544176673 650936501 /nfs/dbraw/zinc/93/65/01/650936501.db2.gz OOCYTIBSVTVXAF-UHFFFAOYSA-N 1 2 377.235 2.358 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(I)c(O)c1 ZINC000544829223 650954922 /nfs/dbraw/zinc/95/49/22/650954922.db2.gz INESIVMXDPUHJG-UHFFFAOYSA-N 1 2 385.205 2.356 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)/C=C/c1ccc(I)o1 ZINC000181647782 644942905 /nfs/dbraw/zinc/94/29/05/644942905.db2.gz WSFOVVBLXAGWFM-TZNOJPMFSA-N 1 2 391.205 2.161 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3C[C@@]34CCOC4)[nH+]c12 ZINC000545184610 650964272 /nfs/dbraw/zinc/96/42/72/650964272.db2.gz ZYCBPQKOQMNLFY-RHSMWYFYSA-N 1 2 378.270 2.491 20 0 GEADLO C[C@H](NC(=O)NCCNc1cccc(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000182709960 644968478 /nfs/dbraw/zinc/96/84/78/644968478.db2.gz IQCDYKVVEOKPMH-KBPBESRZSA-N 1 2 399.333 2.269 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000184020739 645007073 /nfs/dbraw/zinc/00/70/73/645007073.db2.gz CCOWILWBJDBNMD-UHFFFAOYSA-N 1 2 393.241 2.139 20 0 GEADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cs1 ZINC000184739785 645024955 /nfs/dbraw/zinc/02/49/55/645024955.db2.gz XNSKCJARTGPNIR-QWRGUYRKSA-N 1 2 382.511 2.031 20 0 GEADLO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cc(Br)cc(F)c1O ZINC000184964175 645029784 /nfs/dbraw/zinc/02/97/84/645029784.db2.gz CFOGYYRDDXPEHW-SECBINFHSA-N 1 2 395.294 2.368 20 0 GEADLO CCn1cc(Br)c(=O)c(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000545450075 650975006 /nfs/dbraw/zinc/97/50/06/650975006.db2.gz SRYYTKWRZMEWIO-UHFFFAOYSA-N 1 2 388.225 2.464 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000186766099 645075629 /nfs/dbraw/zinc/07/56/29/645075629.db2.gz SUMYIBUMFPUXBQ-OAHLLOKOSA-N 1 2 388.555 2.023 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000188056662 645105866 /nfs/dbraw/zinc/10/58/66/645105866.db2.gz JQZPUTJSGIFGJW-LLVKDONJSA-N 1 2 397.299 2.475 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000188805754 645126647 /nfs/dbraw/zinc/12/66/47/645126647.db2.gz XATGNHQLVVSEDF-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@H+]1CC(C)(C)O ZINC000188805754 645126649 /nfs/dbraw/zinc/12/66/49/645126649.db2.gz XATGNHQLVVSEDF-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO Cc1cc[nH+]c(NNC(=O)C(=O)Nc2ccc(I)cc2)c1 ZINC000190046764 645147150 /nfs/dbraw/zinc/14/71/50/645147150.db2.gz YCANTNDWQUDMQY-UHFFFAOYSA-N 1 2 396.188 2.076 20 0 GEADLO CNS(=O)(=O)CC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000190300900 645150238 /nfs/dbraw/zinc/15/02/38/645150238.db2.gz RYJPTQLIZZGYDZ-UHFFFAOYSA-N 1 2 375.903 2.014 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000190377030 645155551 /nfs/dbraw/zinc/15/55/51/645155551.db2.gz CKTVXQLFSYRJTK-MRXNPFEDSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000190377030 645155553 /nfs/dbraw/zinc/15/55/53/645155553.db2.gz CKTVXQLFSYRJTK-MRXNPFEDSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000190835485 645166317 /nfs/dbraw/zinc/16/63/17/645166317.db2.gz RHZYXUGUGCVXHA-LBPRGKRZSA-N 1 2 394.896 2.057 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000190835485 645166322 /nfs/dbraw/zinc/16/63/22/645166322.db2.gz RHZYXUGUGCVXHA-LBPRGKRZSA-N 1 2 394.896 2.057 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000191993478 645188846 /nfs/dbraw/zinc/18/88/46/645188846.db2.gz APARRUXLYKBKMM-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000191993478 645188851 /nfs/dbraw/zinc/18/88/51/645188851.db2.gz APARRUXLYKBKMM-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191995964 645189259 /nfs/dbraw/zinc/18/92/59/645189259.db2.gz ZXDALXYMEZRTRH-LBPRGKRZSA-N 1 2 382.258 2.200 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191995964 645189264 /nfs/dbraw/zinc/18/92/64/645189264.db2.gz ZXDALXYMEZRTRH-LBPRGKRZSA-N 1 2 382.258 2.200 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000546008856 650987654 /nfs/dbraw/zinc/98/76/54/650987654.db2.gz YNIXJELFKYRNIM-UHFFFAOYSA-N 1 2 395.276 2.209 20 0 GEADLO C[C@H]1CSCC[N@H+](Cn2nc3n(c2=S)c2ccccc2c(=O)n3C)C1 ZINC000192177123 645197746 /nfs/dbraw/zinc/19/77/46/645197746.db2.gz JZCXCBOUEDASCU-GFCCVEGCSA-N 1 2 375.523 2.360 20 0 GEADLO C[C@H]1CSCC[N@@H+](Cn2nc3n(c2=S)c2ccccc2c(=O)n3C)C1 ZINC000192177123 645197750 /nfs/dbraw/zinc/19/77/50/645197750.db2.gz JZCXCBOUEDASCU-GFCCVEGCSA-N 1 2 375.523 2.360 20 0 GEADLO CC(C)OC[C@H]1C[N@H+](C[C@H](O)COc2ccc(Br)cc2)CCO1 ZINC000546030984 650988347 /nfs/dbraw/zinc/98/83/47/650988347.db2.gz JHZWPRACSYKTBP-DOTOQJQBSA-N 1 2 388.302 2.315 20 0 GEADLO CC(C)OC[C@H]1C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)CCO1 ZINC000546030984 650988349 /nfs/dbraw/zinc/98/83/49/650988349.db2.gz JHZWPRACSYKTBP-DOTOQJQBSA-N 1 2 388.302 2.315 20 0 GEADLO Cc1nc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1I ZINC000192687842 645221342 /nfs/dbraw/zinc/22/13/42/645221342.db2.gz FZRRZXWQNLPOIO-SNVBAGLBSA-N 1 2 382.205 2.392 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000546211607 650996184 /nfs/dbraw/zinc/99/61/84/650996184.db2.gz UWKNIBBYQOICJS-IAQYHMDHSA-N 1 2 395.301 2.312 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000546211607 650996188 /nfs/dbraw/zinc/99/61/88/650996188.db2.gz UWKNIBBYQOICJS-IAQYHMDHSA-N 1 2 395.301 2.312 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)ncc1Br ZINC000193565401 645284641 /nfs/dbraw/zinc/28/46/41/645284641.db2.gz NVPJFZBQKNOPIP-UHFFFAOYSA-N 1 2 388.225 2.055 20 0 GEADLO CC(C)Cn1nnnc1SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000193726586 645294145 /nfs/dbraw/zinc/29/41/45/645294145.db2.gz NHXMOVDVLUNCLO-UHFFFAOYSA-N 1 2 381.531 2.112 20 0 GEADLO Cc1cnc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c(Br)c1 ZINC000194318334 645321497 /nfs/dbraw/zinc/32/14/97/645321497.db2.gz GVMOVCXRZKHBAE-UHFFFAOYSA-N 1 2 376.320 2.073 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2Cc3cc(Br)ccc3O2)C[C@H](C)O1 ZINC000194732841 645345800 /nfs/dbraw/zinc/34/58/00/645345800.db2.gz JIMOMAOXTKOSGP-IIYDPXPESA-N 1 2 397.313 2.320 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2Cc3cc(Br)ccc3O2)C[C@H](C)O1 ZINC000194732841 645345805 /nfs/dbraw/zinc/34/58/05/645345805.db2.gz JIMOMAOXTKOSGP-IIYDPXPESA-N 1 2 397.313 2.320 20 0 GEADLO CCc1ncc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000546598357 651003757 /nfs/dbraw/zinc/00/37/57/651003757.db2.gz FJGFMVXUEPDART-UHFFFAOYSA-N 1 2 381.523 2.016 20 0 GEADLO O=S(=O)(c1ccc(Br)c(F)c1)N1CC[NH+](CC2CC2)CC1 ZINC000230600825 645399173 /nfs/dbraw/zinc/39/91/73/645399173.db2.gz JVOSJISUWIJCFS-UHFFFAOYSA-N 1 2 377.279 2.305 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c(Br)c1 ZINC000261641497 645592334 /nfs/dbraw/zinc/59/23/34/645592334.db2.gz GKEZTAKGGWCTOT-OAHLLOKOSA-N 1 2 396.310 2.488 20 0 GEADLO O=S(=O)(c1cn2c(n1)CCCC2)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261771801 645598706 /nfs/dbraw/zinc/59/87/06/645598706.db2.gz ZENFYGLRAQBTRH-OAHLLOKOSA-N 1 2 380.901 2.208 20 0 GEADLO O=C(CC[C@H]1CC[NH2+]C1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000261805659 645601511 /nfs/dbraw/zinc/60/15/11/645601511.db2.gz GEUKEIVVQWKJHD-LBPRGKRZSA-N 1 2 380.495 2.272 20 0 GEADLO Cc1c(Br)scc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000547473972 651027867 /nfs/dbraw/zinc/02/78/67/651027867.db2.gz QTLURQHONXHEMK-UHFFFAOYSA-N 1 2 399.314 2.600 20 0 GEADLO COc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000264678202 645701353 /nfs/dbraw/zinc/70/13/53/645701353.db2.gz BHZVYCANDWZEKX-OAHLLOKOSA-N 1 2 393.285 2.429 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000264678202 645701357 /nfs/dbraw/zinc/70/13/57/645701357.db2.gz BHZVYCANDWZEKX-OAHLLOKOSA-N 1 2 393.285 2.429 20 0 GEADLO C[NH+]1CCN(Cc2cccc(NS(=O)(=O)c3cncc(Cl)c3)c2)CC1 ZINC000547711681 651042390 /nfs/dbraw/zinc/04/23/90/651042390.db2.gz FDHPSFPVGNLHFQ-UHFFFAOYSA-N 1 2 380.901 2.283 20 0 GEADLO Cc1cc(Br)c(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)s1 ZINC000266180841 645831140 /nfs/dbraw/zinc/83/11/40/645831140.db2.gz LFUAPFJFNXQIEA-NSHDSACASA-N 1 2 377.329 2.454 20 0 GEADLO O=C(NCCn1cc[nH+]c1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000266278482 645834870 /nfs/dbraw/zinc/83/48/70/645834870.db2.gz SYHJCOANFSRUKC-MRXNPFEDSA-N 1 2 383.279 2.380 20 0 GEADLO Cc1ccc(NC(=O)CN2CCC[C@H]2C[NH+]2CCOCC2)c(Br)c1 ZINC000266639625 645855018 /nfs/dbraw/zinc/85/50/18/645855018.db2.gz ACXQKCFGFKUUOD-HNNXBMFYSA-N 1 2 396.329 2.493 20 0 GEADLO CSc1ccc(OCC[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000266729194 645860909 /nfs/dbraw/zinc/86/09/09/645860909.db2.gz KEFQWBRKMAOUPJ-RDJZCZTQSA-N 1 2 385.551 2.455 20 0 GEADLO CSc1ccc(OCC[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000266729194 645860914 /nfs/dbraw/zinc/86/09/14/645860914.db2.gz KEFQWBRKMAOUPJ-RDJZCZTQSA-N 1 2 385.551 2.455 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000267015304 645873939 /nfs/dbraw/zinc/87/39/39/645873939.db2.gz ITBJFXIMOQHQCY-NSHDSACASA-N 1 2 388.287 2.330 20 0 GEADLO COc1ccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000547954353 651058549 /nfs/dbraw/zinc/05/85/49/651058549.db2.gz ARDNTCPLOUXKPM-LBPRGKRZSA-N 1 2 379.258 2.468 20 0 GEADLO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ncc(Br)cc1F ZINC000547984313 651059666 /nfs/dbraw/zinc/05/96/66/651059666.db2.gz GLZUTCAXBCTVOL-SECBINFHSA-N 1 2 382.299 2.352 20 0 GEADLO CCOc1cc(C[NH2+]Cc2cc(C(N)=O)no2)cc(Br)c1OC ZINC000268149491 645948109 /nfs/dbraw/zinc/94/81/09/645948109.db2.gz KKPXHGBXXPNGGG-UHFFFAOYSA-N 1 2 384.230 2.233 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000268678428 645988184 /nfs/dbraw/zinc/98/81/84/645988184.db2.gz DGXUAONQUWBHJO-NSHDSACASA-N 1 2 395.257 2.188 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000268920316 646006448 /nfs/dbraw/zinc/00/64/48/646006448.db2.gz OWOREFRQUSRQLG-UHFFFAOYSA-N 1 2 377.388 2.360 20 0 GEADLO COc1ccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1Br ZINC000269099879 646015112 /nfs/dbraw/zinc/01/51/12/646015112.db2.gz NQQFLYAQMANCLA-UHFFFAOYSA-N 1 2 395.257 2.141 20 0 GEADLO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCSCC2)c1 ZINC000269644865 646046990 /nfs/dbraw/zinc/04/69/90/646046990.db2.gz AEPMIDUFTFUBKZ-KBPBESRZSA-N 1 2 385.555 2.139 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269816221 646063541 /nfs/dbraw/zinc/06/35/41/646063541.db2.gz MZTUGUFJZMQOEE-LLVKDONJSA-N 1 2 383.857 2.418 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269867290 646070032 /nfs/dbraw/zinc/07/00/32/646070032.db2.gz SWWDPRJXRKZVGK-UHFFFAOYSA-N 1 2 383.857 2.418 20 0 GEADLO Cc1cc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)ncc1Br ZINC000270238414 646095031 /nfs/dbraw/zinc/09/50/31/646095031.db2.gz QIYXLESXGWSNMW-UHFFFAOYSA-N 1 2 388.273 2.156 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)Cn2cc(Br)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000270706869 646130269 /nfs/dbraw/zinc/13/02/69/646130269.db2.gz NMFMRMWLQCRCKC-GDBMZVCRSA-N 1 2 399.239 2.485 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)Cn2cc(Br)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000270706869 646130276 /nfs/dbraw/zinc/13/02/76/646130276.db2.gz NMFMRMWLQCRCKC-GDBMZVCRSA-N 1 2 399.239 2.485 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270775352 646137528 /nfs/dbraw/zinc/13/75/28/646137528.db2.gz SNHCNRNJQQUWIU-PSASIEDQSA-N 1 2 378.782 2.428 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270775352 646137531 /nfs/dbraw/zinc/13/75/31/646137531.db2.gz SNHCNRNJQQUWIU-PSASIEDQSA-N 1 2 378.782 2.428 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000270885503 646147617 /nfs/dbraw/zinc/14/76/17/646147617.db2.gz GLKKOODLRPEBSG-NSHDSACASA-N 1 2 387.303 2.079 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000271112593 646174674 /nfs/dbraw/zinc/17/46/74/646174674.db2.gz MNRCKUKRWRZQNJ-YGRLFVJLSA-N 1 2 380.242 2.176 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000271112593 646174679 /nfs/dbraw/zinc/17/46/79/646174679.db2.gz MNRCKUKRWRZQNJ-YGRLFVJLSA-N 1 2 380.242 2.176 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1cc(F)ccc1Br ZINC000273213169 646309916 /nfs/dbraw/zinc/30/99/16/646309916.db2.gz JXXSZBCGOSAICU-AWEZNQCLSA-N 1 2 398.232 2.144 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1cc(F)ccc1Br ZINC000273213169 646309919 /nfs/dbraw/zinc/30/99/19/646309919.db2.gz JXXSZBCGOSAICU-AWEZNQCLSA-N 1 2 398.232 2.144 20 0 GEADLO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCCCS1(=O)=O ZINC000273398160 646315440 /nfs/dbraw/zinc/31/54/40/646315440.db2.gz UEPYVLTWRCDBKR-KRWDZBQOSA-N 1 2 382.551 2.450 20 0 GEADLO Cc1cc(Br)cn2cc(CCN3C(=O)CN(C4CC4)C3=O)[nH+]c12 ZINC000277231868 646391784 /nfs/dbraw/zinc/39/17/84/646391784.db2.gz KPOSDMJQUGROGS-UHFFFAOYSA-N 1 2 377.242 2.374 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(=O)n1C ZINC000277432411 646418948 /nfs/dbraw/zinc/41/89/48/646418948.db2.gz MMBSFCYJKUBSMY-ABAIWWIYSA-N 1 2 393.285 2.376 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000277989684 646486786 /nfs/dbraw/zinc/48/67/86/646486786.db2.gz PLUGEVDTDBEPPR-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000279062383 646575109 /nfs/dbraw/zinc/57/51/09/646575109.db2.gz DJKQHKYCRDJJOU-GFCCVEGCSA-N 1 2 399.285 2.013 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000279357015 646594768 /nfs/dbraw/zinc/59/47/68/646594768.db2.gz RKFJYPOUMZCBIR-LBPRGKRZSA-N 1 2 385.295 2.363 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000279393623 646597971 /nfs/dbraw/zinc/59/79/71/646597971.db2.gz KJZLZERTVRYNRC-CQSZACIVSA-N 1 2 380.539 2.273 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000279393623 646597973 /nfs/dbraw/zinc/59/79/73/646597973.db2.gz KJZLZERTVRYNRC-CQSZACIVSA-N 1 2 380.539 2.273 20 0 GEADLO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Br)cn1 ZINC000279578631 646613199 /nfs/dbraw/zinc/61/31/99/646613199.db2.gz GQRHHBGIFFDGIS-GFCCVEGCSA-N 1 2 385.306 2.315 20 0 GEADLO COC(=O)c1nc([C@@H]2CCCN2C(=O)[C@H](C)[NH+]2CCSCC2)sc1C ZINC000279656463 646619159 /nfs/dbraw/zinc/61/91/59/646619159.db2.gz KFCZUDNWVIYCNH-AAEUAGOBSA-N 1 2 383.539 2.339 20 0 GEADLO CS(=O)(=O)C1(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCC1 ZINC000279844628 646632782 /nfs/dbraw/zinc/63/27/82/646632782.db2.gz HTSHWURWTRHBGA-UHFFFAOYSA-N 1 2 386.543 2.218 20 0 GEADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279968259 646641126 /nfs/dbraw/zinc/64/11/26/646641126.db2.gz CUUFPMZCXNZKAF-RKDXNWHRSA-N 1 2 382.313 2.158 20 0 GEADLO C[C@@H](Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)c1ccc(Br)cn1 ZINC000280297317 646668875 /nfs/dbraw/zinc/66/88/75/646668875.db2.gz RDNDMQFORMJXCD-LLVKDONJSA-N 1 2 391.273 2.086 20 0 GEADLO C[C@@H](Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)c1ccc(Br)cn1 ZINC000280297317 646668882 /nfs/dbraw/zinc/66/88/82/646668882.db2.gz RDNDMQFORMJXCD-LLVKDONJSA-N 1 2 391.273 2.086 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000280496874 646688030 /nfs/dbraw/zinc/68/80/30/646688030.db2.gz KOOSWDFTSRWWDG-UHFFFAOYSA-N 1 2 395.301 2.200 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000280850560 646725488 /nfs/dbraw/zinc/72/54/88/646725488.db2.gz VARADUCHQIZXGB-GFCCVEGCSA-N 1 2 395.301 2.198 20 0 GEADLO COC(=O)CN(Cc1cccc(Br)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC000281915797 646802662 /nfs/dbraw/zinc/80/26/62/646802662.db2.gz QPVPDAIMFPRNMN-UHFFFAOYSA-N 1 2 380.242 2.307 20 0 GEADLO COC(=O)CN(Cc1cccc(Br)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC000281915797 646802665 /nfs/dbraw/zinc/80/26/65/646802665.db2.gz QPVPDAIMFPRNMN-UHFFFAOYSA-N 1 2 380.242 2.307 20 0 GEADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NCc1cccc(Cl)c1 ZINC000283234642 646821954 /nfs/dbraw/zinc/82/19/54/646821954.db2.gz KORPGDIRKIDVLA-UHFFFAOYSA-N 1 2 377.897 2.192 20 0 GEADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NCc1cccc(Cl)c1 ZINC000283234642 646821958 /nfs/dbraw/zinc/82/19/58/646821958.db2.gz KORPGDIRKIDVLA-UHFFFAOYSA-N 1 2 377.897 2.192 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C(=O)NCC1CCSCC1)c1ccccc1Cl ZINC000283245386 646823209 /nfs/dbraw/zinc/82/32/09/646823209.db2.gz DCNMGQAODHBFOH-MRXNPFEDSA-N 1 2 383.945 2.318 20 0 GEADLO NC(=O)[C@@H]1CCC[N@H+](Cc2c(Br)cncc2Br)C1 ZINC000284051476 646831282 /nfs/dbraw/zinc/83/12/82/646831282.db2.gz MGHUALQGTVEKAN-MRVPVSSYSA-N 1 2 377.080 2.304 20 0 GEADLO NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Br)cncc2Br)C1 ZINC000284051476 646831283 /nfs/dbraw/zinc/83/12/83/646831283.db2.gz MGHUALQGTVEKAN-MRVPVSSYSA-N 1 2 377.080 2.304 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000284114056 646834687 /nfs/dbraw/zinc/83/46/87/646834687.db2.gz WWXAIJKCEJHBLT-SNVBAGLBSA-N 1 2 399.676 2.120 20 0 GEADLO CN(C[C@@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1)S(C)(=O)=O ZINC000285601985 646858659 /nfs/dbraw/zinc/85/86/59/646858659.db2.gz MCUKOXVEZDMUOL-AWEZNQCLSA-N 1 2 380.539 2.309 20 0 GEADLO CN(C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1)S(C)(=O)=O ZINC000285601985 646858662 /nfs/dbraw/zinc/85/86/62/646858662.db2.gz MCUKOXVEZDMUOL-AWEZNQCLSA-N 1 2 380.539 2.309 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000285646458 646860886 /nfs/dbraw/zinc/86/08/86/646860886.db2.gz DLXWKFPVAUTJPC-JSGCOSHPSA-N 1 2 385.277 2.452 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000289179995 646927086 /nfs/dbraw/zinc/92/70/86/646927086.db2.gz AKUMFEIJQODZLO-UHFFFAOYSA-N 1 2 379.295 2.492 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cnc(Br)s2)C1 ZINC000295566787 647234659 /nfs/dbraw/zinc/23/46/59/647234659.db2.gz QUOSSOIVQCGDLG-QWRGUYRKSA-N 1 2 376.320 2.269 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cnc(Br)s2)C1 ZINC000295566787 647234663 /nfs/dbraw/zinc/23/46/63/647234663.db2.gz QUOSSOIVQCGDLG-QWRGUYRKSA-N 1 2 376.320 2.269 20 0 GEADLO CCOc1cc(C[N@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)cc(Cl)c1O ZINC000297967623 647268427 /nfs/dbraw/zinc/26/84/27/647268427.db2.gz WYIWNOSGUIVMIK-AWEZNQCLSA-N 1 2 391.917 2.470 20 0 GEADLO CCOc1cc(C[N@@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)cc(Cl)c1O ZINC000297967623 647268429 /nfs/dbraw/zinc/26/84/29/647268429.db2.gz WYIWNOSGUIVMIK-AWEZNQCLSA-N 1 2 391.917 2.470 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc1Cl ZINC000332526122 647442009 /nfs/dbraw/zinc/44/20/09/647442009.db2.gz OUMAAOQOCTWAIJ-CHWSQXEVSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc1Cl ZINC000332526122 647442013 /nfs/dbraw/zinc/44/20/13/647442013.db2.gz OUMAAOQOCTWAIJ-CHWSQXEVSA-N 1 2 386.901 2.374 20 0 GEADLO C[C@H]1C[NH+](CCCCNS(=O)(=O)c2ccc(Br)o2)C[C@H](C)O1 ZINC000332558303 647445297 /nfs/dbraw/zinc/44/52/97/647445297.db2.gz PHSOZMNLLOHFEQ-RYUDHWBXSA-N 1 2 395.319 2.210 20 0 GEADLO COc1cc(Br)cc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000332629447 647449682 /nfs/dbraw/zinc/44/96/82/647449682.db2.gz DKLAOBDMKQYGOE-CQSZACIVSA-N 1 2 384.274 2.396 20 0 GEADLO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1nc(C(F)(F)F)cs1 ZINC000333012997 647458899 /nfs/dbraw/zinc/45/88/99/647458899.db2.gz VABLWZOGKCCTLE-GHMZBOCLSA-N 1 2 378.420 2.339 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1C[C@H]1c1ccccc1Br ZINC000348395705 647493362 /nfs/dbraw/zinc/49/33/62/647493362.db2.gz UUEOUKBVOYLWNO-FPMFFAJLSA-N 1 2 375.226 2.191 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1C[C@H]1c1ccccc1Br ZINC000348395705 647493364 /nfs/dbraw/zinc/49/33/64/647493364.db2.gz UUEOUKBVOYLWNO-FPMFFAJLSA-N 1 2 375.226 2.191 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2cccc(Br)c2C)CC1 ZINC000362969988 647577272 /nfs/dbraw/zinc/57/72/72/647577272.db2.gz GYUMSVYHAIYNGO-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2cccc(Br)c2C)CC1 ZINC000362969988 647577276 /nfs/dbraw/zinc/57/72/76/647577276.db2.gz GYUMSVYHAIYNGO-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1C[C@H](c2ccsc2)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000363259749 647589695 /nfs/dbraw/zinc/58/96/95/647589695.db2.gz QKRLSEFZCZDKOX-DIECFANBSA-N 1 2 384.567 2.350 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1C[C@H](c2ccsc2)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000363259749 647589698 /nfs/dbraw/zinc/58/96/98/647589698.db2.gz QKRLSEFZCZDKOX-DIECFANBSA-N 1 2 384.567 2.350 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000363496300 647597130 /nfs/dbraw/zinc/59/71/30/647597130.db2.gz MQPZKODZFZPOTE-CYBMUJFWSA-N 1 2 386.323 2.452 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000363496300 647597136 /nfs/dbraw/zinc/59/71/36/647597136.db2.gz MQPZKODZFZPOTE-CYBMUJFWSA-N 1 2 386.323 2.452 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000363498093 647597776 /nfs/dbraw/zinc/59/77/76/647597776.db2.gz WPWUEDQAVOMXJJ-HUUCEWRRSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000363498093 647597780 /nfs/dbraw/zinc/59/77/80/647597780.db2.gz WPWUEDQAVOMXJJ-HUUCEWRRSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000363515994 647598666 /nfs/dbraw/zinc/59/86/66/647598666.db2.gz ODFPMXZJDWIVLS-ZIAGYGMSSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000363515994 647598669 /nfs/dbraw/zinc/59/86/69/647598669.db2.gz ODFPMXZJDWIVLS-ZIAGYGMSSA-N 1 2 384.307 2.377 20 0 GEADLO Cc1nn(C)c(C[NH2+]CC(=O)N2CCc3sccc3C2)c1Br ZINC000364000787 647616659 /nfs/dbraw/zinc/61/66/59/647616659.db2.gz KJLNXDCHLMHKGG-UHFFFAOYSA-N 1 2 383.315 2.227 20 0 GEADLO O=C(c1cnn2cc(Br)cnc12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364073999 647617891 /nfs/dbraw/zinc/61/78/91/647617891.db2.gz OCSIQJWTHRCGCD-CYBMUJFWSA-N 1 2 388.225 2.180 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000364329115 647621589 /nfs/dbraw/zinc/62/15/89/647621589.db2.gz PVNPYYNJQXXTFK-IRXDYDNUSA-N 1 2 386.945 2.165 20 0 GEADLO CCc1nc2cc(S(=O)(=O)N3CC[NH+]([C@@H]4CCSC4)CC3)ccc2o1 ZINC000364511086 647631232 /nfs/dbraw/zinc/63/12/32/647631232.db2.gz KYLDITXWMQLKRF-CYBMUJFWSA-N 1 2 381.523 2.202 20 0 GEADLO O=S(=O)(c1ccccc1OC(F)F)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000364757183 647640915 /nfs/dbraw/zinc/64/09/15/647640915.db2.gz PLGGLUUEXROFLG-GFCCVEGCSA-N 1 2 378.466 2.100 20 0 GEADLO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365665158 647680378 /nfs/dbraw/zinc/68/03/78/647680378.db2.gz AAWOQXWJCKALKI-CORIIIEPSA-N 1 2 383.286 2.038 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)c(Cl)c1Cl ZINC000368572509 647759232 /nfs/dbraw/zinc/75/92/32/647759232.db2.gz BZJVTXBOASJYMM-SSDOTTSWSA-N 1 2 375.224 2.230 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1)c1ccc(Br)cc1 ZINC000372616249 647810079 /nfs/dbraw/zinc/81/00/79/647810079.db2.gz FAJBBOPILMOTIP-YVEFUNNKSA-N 1 2 396.285 2.201 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1)c1ccc(Br)cc1 ZINC000372616249 647810081 /nfs/dbraw/zinc/81/00/81/647810081.db2.gz FAJBBOPILMOTIP-YVEFUNNKSA-N 1 2 396.285 2.201 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(Br)c1 ZINC000374340240 647822137 /nfs/dbraw/zinc/82/21/37/647822137.db2.gz JJSGPIYBTAARKW-LBPRGKRZSA-N 1 2 391.269 2.446 20 0 GEADLO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000374343821 647822187 /nfs/dbraw/zinc/82/21/87/647822187.db2.gz ZICLAWNEGRASEP-GFCCVEGCSA-N 1 2 381.885 2.497 20 0 GEADLO CN(C)c1noc([C@H]2CCC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)n1 ZINC000374636974 647823807 /nfs/dbraw/zinc/82/38/07/647823807.db2.gz PHSGQTVNDRLIFP-NSHDSACASA-N 1 2 383.905 2.346 20 0 GEADLO CN(C)c1noc([C@H]2CCC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)n1 ZINC000374636974 647823811 /nfs/dbraw/zinc/82/38/11/647823811.db2.gz PHSGQTVNDRLIFP-NSHDSACASA-N 1 2 383.905 2.346 20 0 GEADLO CN1CCC[C@@]2(CC[N@H+](Cc3ncc(I)s3)C2)C1=O ZINC000377684915 647864855 /nfs/dbraw/zinc/86/48/55/647864855.db2.gz YRADWDVESBNMCZ-ZDUSSCGKSA-N 1 2 391.278 2.192 20 0 GEADLO CN1CCC[C@@]2(CC[N@@H+](Cc3ncc(I)s3)C2)C1=O ZINC000377684915 647864867 /nfs/dbraw/zinc/86/48/67/647864867.db2.gz YRADWDVESBNMCZ-ZDUSSCGKSA-N 1 2 391.278 2.192 20 0 GEADLO CN1C(=O)[C@H]2CN(c3cc[nH+]c4c(Br)cccc34)CCN2C1=O ZINC000378028585 647876708 /nfs/dbraw/zinc/87/67/08/647876708.db2.gz DDMAGGYDQJMYAR-CYBMUJFWSA-N 1 2 375.226 2.080 20 0 GEADLO CNS(=O)(=O)c1ccc(NC2CC[NH+](Cc3cscn3)CC2)c(F)c1 ZINC000378337210 647878811 /nfs/dbraw/zinc/87/88/11/647878811.db2.gz ZDMXUURKDBGWRQ-UHFFFAOYSA-N 1 2 384.502 2.267 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000378482597 647882124 /nfs/dbraw/zinc/88/21/24/647882124.db2.gz FDLQGIQIWDZDRG-YDHLFZDLSA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000378482597 647882128 /nfs/dbraw/zinc/88/21/28/647882128.db2.gz FDLQGIQIWDZDRG-YDHLFZDLSA-N 1 2 392.279 2.386 20 0 GEADLO C[C@H]([C@H](C)NC(=O)Nc1cc2ccc(Br)cn2n1)[NH+]1CCOCC1 ZINC000482189439 647896504 /nfs/dbraw/zinc/89/65/04/647896504.db2.gz XLGNUVIBVPRQFW-NWDGAFQWSA-N 1 2 396.289 2.328 20 0 GEADLO O=C(c1cc(I)ccc1O)N1CC[NH+](CCCF)CC1 ZINC000402866634 647905075 /nfs/dbraw/zinc/90/50/75/647905075.db2.gz WWICZXKHSPDUCS-UHFFFAOYSA-N 1 2 392.212 2.114 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)[C@H](C)Oc2ccc(Br)cc2)CCO1 ZINC000410000963 647990822 /nfs/dbraw/zinc/99/08/22/647990822.db2.gz VNPZCZVROWOFJR-ZFWWWQNUSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)[C@H](C)Oc2ccc(Br)cc2)CCO1 ZINC000410000963 647990832 /nfs/dbraw/zinc/99/08/32/647990832.db2.gz VNPZCZVROWOFJR-ZFWWWQNUSA-N 1 2 385.302 2.443 20 0 GEADLO CC(C)(CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)S(C)(=O)=O ZINC000413053423 648059366 /nfs/dbraw/zinc/05/93/66/648059366.db2.gz NPOVHOIGZUXBMK-AWEZNQCLSA-N 1 2 387.571 2.398 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCSC2(CCC2)CC1 ZINC000413159973 648061039 /nfs/dbraw/zinc/06/10/39/648061039.db2.gz LOIMZTGYXRXYDF-QGZVFWFLSA-N 1 2 385.599 2.266 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCO[C@H](CF)C3)[nH+]c12 ZINC000413461681 648065254 /nfs/dbraw/zinc/06/52/54/648065254.db2.gz WBJRKQYAAPWUMW-CQSZACIVSA-N 1 2 399.264 2.328 20 0 GEADLO C[C@@H]1CN(c2cnn(C)c(=O)c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000413536981 648071001 /nfs/dbraw/zinc/07/10/01/648071001.db2.gz WDSIDNXTRSDVIT-CYBMUJFWSA-N 1 2 377.286 2.254 20 0 GEADLO C[C@@H]1CN(c2cnn(C)c(=O)c2Br)CC[N@H+]1Cc1ccccc1 ZINC000413536981 648071008 /nfs/dbraw/zinc/07/10/08/648071008.db2.gz WDSIDNXTRSDVIT-CYBMUJFWSA-N 1 2 377.286 2.254 20 0 GEADLO CCS(=O)(=O)CCCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000413563014 648072713 /nfs/dbraw/zinc/07/27/13/648072713.db2.gz BQCZRIJFZXPFRG-UHFFFAOYSA-N 1 2 384.889 2.150 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413954263 648088017 /nfs/dbraw/zinc/08/80/17/648088017.db2.gz IHJYXPJEBUAKGK-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc1 ZINC000414270056 648088832 /nfs/dbraw/zinc/08/88/32/648088832.db2.gz YMEVXVTVPCJFMX-OAHLLOKOSA-N 1 2 381.519 2.351 20 0 GEADLO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000414344864 648097438 /nfs/dbraw/zinc/09/74/38/648097438.db2.gz OJCPBLHBZUURDD-ZWNOBZJWSA-N 1 2 389.315 2.170 20 0 GEADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000416422613 648122926 /nfs/dbraw/zinc/12/29/26/648122926.db2.gz NBOZOCMIMFOTEA-NSHDSACASA-N 1 2 383.857 2.418 20 0 GEADLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416496731 648149704 /nfs/dbraw/zinc/14/97/04/648149704.db2.gz PWSGXQONOIFGTC-GFCCVEGCSA-N 1 2 376.906 2.462 20 0 GEADLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416496731 648149709 /nfs/dbraw/zinc/14/97/09/648149709.db2.gz PWSGXQONOIFGTC-GFCCVEGCSA-N 1 2 376.906 2.462 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000416649553 648202045 /nfs/dbraw/zinc/20/20/45/648202045.db2.gz ACJVCKNNOHFBTB-WDEREUQCSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000416649553 648202049 /nfs/dbraw/zinc/20/20/49/648202049.db2.gz ACJVCKNNOHFBTB-WDEREUQCSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000416663001 648205470 /nfs/dbraw/zinc/20/54/70/648205470.db2.gz LHHIGSQTLWLIFF-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000416663001 648205472 /nfs/dbraw/zinc/20/54/72/648205472.db2.gz LHHIGSQTLWLIFF-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO CC[C@@H](C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)OC ZINC000419178883 648339834 /nfs/dbraw/zinc/33/98/34/648339834.db2.gz CLLXLGLGWFCPLO-AWEZNQCLSA-N 1 2 391.331 2.180 20 0 GEADLO COC(=O)CNC(=O)C[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421044672 648463072 /nfs/dbraw/zinc/46/30/72/648463072.db2.gz SZGSXTVQPQDSSG-HNNXBMFYSA-N 1 2 383.286 2.135 20 0 GEADLO COC(=O)CNC(=O)C[N@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421044672 648463078 /nfs/dbraw/zinc/46/30/78/648463078.db2.gz SZGSXTVQPQDSSG-HNNXBMFYSA-N 1 2 383.286 2.135 20 0 GEADLO CC(C)[N@@H+](Cc1ncc(Br)cc1Br)C[C@@H](O)CO ZINC000421407298 648490541 /nfs/dbraw/zinc/49/05/41/648490541.db2.gz IXWFYIVQTPOSJG-SNVBAGLBSA-N 1 2 382.096 2.170 20 0 GEADLO CC(C)[N@H+](Cc1ncc(Br)cc1Br)C[C@@H](O)CO ZINC000421407298 648490546 /nfs/dbraw/zinc/49/05/46/648490546.db2.gz IXWFYIVQTPOSJG-SNVBAGLBSA-N 1 2 382.096 2.170 20 0 GEADLO Cc1cc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)cc(C)[nH+]1 ZINC000421552292 648496987 /nfs/dbraw/zinc/49/69/87/648496987.db2.gz BKJUZJPBSYPUNB-UHFFFAOYSA-N 1 2 379.507 2.474 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCc2c1cccc2Br ZINC000422206010 648529107 /nfs/dbraw/zinc/52/91/07/648529107.db2.gz PMUVHPSINDBSPB-ZDUSSCGKSA-N 1 2 380.286 2.384 20 0 GEADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCc2c1cccc2Br ZINC000422206010 648529111 /nfs/dbraw/zinc/52/91/11/648529111.db2.gz PMUVHPSINDBSPB-ZDUSSCGKSA-N 1 2 380.286 2.384 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CS1 ZINC000422384533 648542018 /nfs/dbraw/zinc/54/20/18/648542018.db2.gz GFPDPZNLDXIIBR-CAPXZKIUSA-N 1 2 381.929 2.212 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CS1 ZINC000422384533 648542022 /nfs/dbraw/zinc/54/20/22/648542022.db2.gz GFPDPZNLDXIIBR-CAPXZKIUSA-N 1 2 381.929 2.212 20 0 GEADLO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]([NH3+])c2cscn2)ccc1C ZINC000422912629 648577389 /nfs/dbraw/zinc/57/73/89/648577389.db2.gz NSMZVUMQZFNNMD-HNNXBMFYSA-N 1 2 382.511 2.121 20 0 GEADLO Cc1cc[nH+]c(N2CCN(Cc3ccc(S(=O)(=O)N(C)C)s3)CC2)c1 ZINC000425426078 648676506 /nfs/dbraw/zinc/67/65/06/648676506.db2.gz QATZAVPFVBDJIB-UHFFFAOYSA-N 1 2 380.539 2.024 20 0 GEADLO CS(=O)(=O)CCCCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000425539470 648684212 /nfs/dbraw/zinc/68/42/12/648684212.db2.gz KBWPNOYLRFKOFT-UHFFFAOYSA-N 1 2 384.889 2.150 20 0 GEADLO CCN1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C(C)(C)C1=O ZINC000426113729 648703763 /nfs/dbraw/zinc/70/37/63/648703763.db2.gz KUGBLTPLACBMJZ-CQSZACIVSA-N 1 2 385.302 2.132 20 0 GEADLO CCN1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C(C)(C)C1=O ZINC000426113729 648703768 /nfs/dbraw/zinc/70/37/68/648703768.db2.gz KUGBLTPLACBMJZ-CQSZACIVSA-N 1 2 385.302 2.132 20 0 GEADLO CCN(CC)S(=O)(=O)CC[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000427717725 648725923 /nfs/dbraw/zinc/72/59/23/648725923.db2.gz DELYOSLSMWICAT-SNVBAGLBSA-N 1 2 382.299 2.305 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000429269329 648748316 /nfs/dbraw/zinc/74/83/16/648748316.db2.gz BJKLGARONZMBRG-ZDUSSCGKSA-N 1 2 396.336 2.490 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435664200 648785034 /nfs/dbraw/zinc/78/50/34/648785034.db2.gz LRNXGRDJORZMOA-GWCFXTLKSA-N 1 2 377.242 2.276 20 0 GEADLO CNc1[nH+]cnc2c1cnn2C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000435706113 648786041 /nfs/dbraw/zinc/78/60/41/648786041.db2.gz PZRNXKVPNDYPFE-LLVKDONJSA-N 1 2 396.220 2.210 20 0 GEADLO COCC[N@@H+]1CCCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436845835 648795703 /nfs/dbraw/zinc/79/57/03/648795703.db2.gz AICRSMUFHJVINR-UHFFFAOYSA-N 1 2 375.238 2.088 20 0 GEADLO COCC[N@H+]1CCCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436845835 648795708 /nfs/dbraw/zinc/79/57/08/648795708.db2.gz AICRSMUFHJVINR-UHFFFAOYSA-N 1 2 375.238 2.088 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)cc(Br)c2O)C1 ZINC000436852353 648796734 /nfs/dbraw/zinc/79/67/34/648796734.db2.gz PFOLTWQAFQQIIK-LBPRGKRZSA-N 1 2 389.265 2.380 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)cc(Br)c2O)C1 ZINC000436852353 648796740 /nfs/dbraw/zinc/79/67/40/648796740.db2.gz PFOLTWQAFQQIIK-LBPRGKRZSA-N 1 2 389.265 2.380 20 0 GEADLO O=C(c1cc(F)cc(Br)c1O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000436860123 648797833 /nfs/dbraw/zinc/79/78/33/648797833.db2.gz VLSMVUXCDDTHCK-NSHDSACASA-N 1 2 387.249 2.088 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000443045799 648857002 /nfs/dbraw/zinc/85/70/02/648857002.db2.gz MGDJMRHWJNIFOZ-NVXWUHKLSA-N 1 2 381.885 2.467 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000443045799 648857004 /nfs/dbraw/zinc/85/70/04/648857004.db2.gz MGDJMRHWJNIFOZ-NVXWUHKLSA-N 1 2 381.885 2.467 20 0 GEADLO CO[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000443046213 648857344 /nfs/dbraw/zinc/85/73/44/648857344.db2.gz SRIVGSNWCDMMPN-JLZZUVOBSA-N 1 2 376.469 2.443 20 0 GEADLO CO[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000443046213 648857348 /nfs/dbraw/zinc/85/73/48/648857348.db2.gz SRIVGSNWCDMMPN-JLZZUVOBSA-N 1 2 376.469 2.443 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000548281848 651075673 /nfs/dbraw/zinc/07/56/73/651075673.db2.gz SXDRTQUAMFRUCO-ZDUSSCGKSA-N 1 2 379.917 2.440 20 0 GEADLO O=C(N[C@H](CCO)c1ccccc1Br)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548661393 651082734 /nfs/dbraw/zinc/08/27/34/651082734.db2.gz RDNNRLOKHPZELT-IUODEOHRSA-N 1 2 393.285 2.383 20 0 GEADLO Cc1cc(NC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)c(C)c[nH+]1 ZINC000548745959 651084523 /nfs/dbraw/zinc/08/45/23/651084523.db2.gz BJRRPJIZZLVXHB-CQSZACIVSA-N 1 2 377.242 2.231 20 0 GEADLO CCC[N@H+](Cc1cnc2ccc(Br)cn12)[C@H]1CC(=O)N(C)C1=O ZINC000549826090 651101717 /nfs/dbraw/zinc/10/17/17/651101717.db2.gz ZNJQPUFASQPEFT-ZDUSSCGKSA-N 1 2 379.258 2.066 20 0 GEADLO CCC[N@@H+](Cc1cnc2ccc(Br)cn12)[C@H]1CC(=O)N(C)C1=O ZINC000549826090 651101718 /nfs/dbraw/zinc/10/17/18/651101718.db2.gz ZNJQPUFASQPEFT-ZDUSSCGKSA-N 1 2 379.258 2.066 20 0 GEADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)[C@H]1n1cccn1 ZINC000550326218 651109496 /nfs/dbraw/zinc/10/94/96/651109496.db2.gz WCRAQGGWOAZGRV-BFYDXBDKSA-N 1 2 383.901 2.448 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H]1SCCc3sccc31)C2 ZINC000552007157 651137628 /nfs/dbraw/zinc/13/76/28/651137628.db2.gz LJYHCLFBHIUWLZ-YVEFUNNKSA-N 1 2 377.535 2.249 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccccc1Br)C2 ZINC000552007261 651137631 /nfs/dbraw/zinc/13/76/31/651137631.db2.gz RSZNNZWKJBWIOX-GFCCVEGCSA-N 1 2 378.270 2.234 20 0 GEADLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](CC[S@](=O)c1ccccc1)C2 ZINC000552528427 651151841 /nfs/dbraw/zinc/15/18/41/651151841.db2.gz TZQNAMFYGUUNSW-DEOSSOPVSA-N 1 2 378.519 2.224 20 0 GEADLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](CC[S@](=O)c1ccccc1)C2 ZINC000552528427 651151842 /nfs/dbraw/zinc/15/18/42/651151842.db2.gz TZQNAMFYGUUNSW-DEOSSOPVSA-N 1 2 378.519 2.224 20 0 GEADLO CCOC(=O)CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000553154375 651166252 /nfs/dbraw/zinc/16/62/52/651166252.db2.gz AUZPEBLMQVOZMQ-UHFFFAOYSA-N 1 2 384.230 2.221 20 0 GEADLO Cc1cccc(CCCNc2ncc(Br)cc2S(N)(=O)=O)[nH+]1 ZINC000553578480 651182083 /nfs/dbraw/zinc/18/20/83/651182083.db2.gz VAOCIEXQCATYIU-UHFFFAOYSA-N 1 2 385.287 2.240 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1)C1CC1 ZINC000554744885 651212349 /nfs/dbraw/zinc/21/23/49/651212349.db2.gz AMAOZBJNROTJAB-ZDUSSCGKSA-N 1 2 382.917 2.282 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1)C1CC1 ZINC000554744885 651212352 /nfs/dbraw/zinc/21/23/52/651212352.db2.gz AMAOZBJNROTJAB-ZDUSSCGKSA-N 1 2 382.917 2.282 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000555816394 651230948 /nfs/dbraw/zinc/23/09/48/651230948.db2.gz ZHWHJZXWODRUFD-UHOFOFEASA-N 1 2 382.302 2.325 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000555816394 651230955 /nfs/dbraw/zinc/23/09/55/651230955.db2.gz ZHWHJZXWODRUFD-UHOFOFEASA-N 1 2 382.302 2.325 20 0 GEADLO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)C1=O ZINC000556106259 651236725 /nfs/dbraw/zinc/23/67/25/651236725.db2.gz DTOVNTZVIZZQFY-CYBMUJFWSA-N 1 2 381.274 2.311 20 0 GEADLO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)C1=O ZINC000556106259 651236730 /nfs/dbraw/zinc/23/67/30/651236730.db2.gz DTOVNTZVIZZQFY-CYBMUJFWSA-N 1 2 381.274 2.311 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(Br)c1 ZINC000556598499 651247424 /nfs/dbraw/zinc/24/74/24/651247424.db2.gz PRZXLFQFDGUFKR-CORIIIEPSA-N 1 2 381.270 2.322 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(Br)c1 ZINC000556598499 651247428 /nfs/dbraw/zinc/24/74/28/651247428.db2.gz PRZXLFQFDGUFKR-CORIIIEPSA-N 1 2 381.270 2.322 20 0 GEADLO COc1ccc(OCc2nc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)cs2)cc1 ZINC000557830462 651274409 /nfs/dbraw/zinc/27/44/09/651274409.db2.gz FATHDTHWAPYQEQ-CYBMUJFWSA-N 1 2 382.507 2.398 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000559012372 651289639 /nfs/dbraw/zinc/28/96/39/651289639.db2.gz WKSRBKJRXLBEEX-LLVKDONJSA-N 1 2 391.269 2.098 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000559012372 651289641 /nfs/dbraw/zinc/28/96/41/651289641.db2.gz WKSRBKJRXLBEEX-LLVKDONJSA-N 1 2 391.269 2.098 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@H](C)[N@H+]1C ZINC000559148099 651291552 /nfs/dbraw/zinc/29/15/52/651291552.db2.gz PYCKNGNIOZEAGR-TXEJJXNPSA-N 1 2 390.347 2.228 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@H](C)[N@@H+]1C ZINC000559148099 651291558 /nfs/dbraw/zinc/29/15/58/651291558.db2.gz PYCKNGNIOZEAGR-TXEJJXNPSA-N 1 2 390.347 2.228 20 0 GEADLO O=S(=O)(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)N1CCCCCC1 ZINC000559246521 651293612 /nfs/dbraw/zinc/29/36/12/651293612.db2.gz PBWSIIRCZUFLEM-GOSISDBHSA-N 1 2 383.583 2.314 20 0 GEADLO O=S(=O)(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)N1CCCCCC1 ZINC000559246521 651293617 /nfs/dbraw/zinc/29/36/17/651293617.db2.gz PBWSIIRCZUFLEM-GOSISDBHSA-N 1 2 383.583 2.314 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cs2)C1 ZINC000560644759 651313190 /nfs/dbraw/zinc/31/31/90/651313190.db2.gz IYRYVCAGEKAYFZ-JTQLQIEISA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cs2)C1 ZINC000560644759 651313192 /nfs/dbraw/zinc/31/31/92/651313192.db2.gz IYRYVCAGEKAYFZ-JTQLQIEISA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)c1ccc(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)s1 ZINC000603365576 651485454 /nfs/dbraw/zinc/48/54/54/651485454.db2.gz JUSAYUMPQMWOLS-UHFFFAOYSA-N 1 2 380.491 2.001 20 0 GEADLO COC(=O)c1ccc(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)s1 ZINC000603365576 651485456 /nfs/dbraw/zinc/48/54/56/651485456.db2.gz JUSAYUMPQMWOLS-UHFFFAOYSA-N 1 2 380.491 2.001 20 0 GEADLO C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1(S(C)(=O)=O)CC1 ZINC000561921952 651485597 /nfs/dbraw/zinc/48/55/97/651485597.db2.gz CNPMWVDFBKEMOW-SWLSCSKDSA-N 1 2 387.933 2.208 20 0 GEADLO C[C@H]1CN(C(=O)c2nc3ccccc3cc2Br)CC[N@@H+]1CCO ZINC000561987207 651486021 /nfs/dbraw/zinc/48/60/21/651486021.db2.gz FPTLLKRTRUZTLV-LBPRGKRZSA-N 1 2 378.270 2.136 20 0 GEADLO C[C@H]1CN(C(=O)c2nc3ccccc3cc2Br)CC[N@H+]1CCO ZINC000561987207 651486025 /nfs/dbraw/zinc/48/60/25/651486025.db2.gz FPTLLKRTRUZTLV-LBPRGKRZSA-N 1 2 378.270 2.136 20 0 GEADLO CN(C)C(=O)[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000563518385 651528477 /nfs/dbraw/zinc/52/84/77/651528477.db2.gz CUYDGCCPGOWUNP-MFKMUULPSA-N 1 2 384.263 2.035 20 0 GEADLO CN(C)C(=O)[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000563518385 651528479 /nfs/dbraw/zinc/52/84/79/651528479.db2.gz CUYDGCCPGOWUNP-MFKMUULPSA-N 1 2 384.263 2.035 20 0 GEADLO Fc1ccc(I)c(F)c1CNCC[N@@H+]1CCCOCC1 ZINC000563655182 651535396 /nfs/dbraw/zinc/53/53/96/651535396.db2.gz HHKYVJUNOWNOCG-UHFFFAOYSA-N 1 2 396.219 2.381 20 0 GEADLO Fc1ccc(I)c(F)c1CNCC[N@H+]1CCCOCC1 ZINC000563655182 651535402 /nfs/dbraw/zinc/53/54/02/651535402.db2.gz HHKYVJUNOWNOCG-UHFFFAOYSA-N 1 2 396.219 2.381 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000563655142 651535477 /nfs/dbraw/zinc/53/54/77/651535477.db2.gz GDIBMKGIUDMALE-CQSZACIVSA-N 1 2 378.274 2.086 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000563655142 651535482 /nfs/dbraw/zinc/53/54/82/651535482.db2.gz GDIBMKGIUDMALE-CQSZACIVSA-N 1 2 378.274 2.086 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2ccccc2C1)c1c(Cl)nc2sccn21 ZINC000728579429 651546602 /nfs/dbraw/zinc/54/66/02/651546602.db2.gz FHWKZWWEQJVBMS-UHFFFAOYSA-N 1 2 396.925 2.386 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2ccccc2C1)c1c(Cl)nc2sccn21 ZINC000728579429 651546605 /nfs/dbraw/zinc/54/66/05/651546605.db2.gz FHWKZWWEQJVBMS-UHFFFAOYSA-N 1 2 396.925 2.386 20 0 GEADLO CC(C)CCN(CCC(C)C)S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000606465971 651555418 /nfs/dbraw/zinc/55/54/18/651555418.db2.gz ZDANTVSYZVOYBV-GOSISDBHSA-N 1 2 377.595 2.183 20 0 GEADLO CC(C)CCN(CCC(C)C)S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000606465972 651555529 /nfs/dbraw/zinc/55/55/29/651555529.db2.gz ZDANTVSYZVOYBV-SFHVURJKSA-N 1 2 377.595 2.183 20 0 GEADLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)CCOCC(F)(F)F)CC2)c1 ZINC000564333677 651561726 /nfs/dbraw/zinc/56/17/26/651561726.db2.gz KYXDKKVLSGRQOO-UHFFFAOYSA-N 1 2 380.432 2.021 20 0 GEADLO NC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000729676825 651574314 /nfs/dbraw/zinc/57/43/14/651574314.db2.gz UNZYTEODTAKIRY-HNNXBMFYSA-N 1 2 398.207 2.482 20 0 GEADLO O=C(COc1ccc(Cl)c(F)c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000645123583 651589220 /nfs/dbraw/zinc/58/92/20/651589220.db2.gz ZHFJHTFGCAAZGV-QGZVFWFLSA-N 1 2 388.892 2.182 20 0 GEADLO C[N@H+](CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O)[C@@H]1CCOC1 ZINC000730257976 651593137 /nfs/dbraw/zinc/59/31/37/651593137.db2.gz CQDUMGZWOBQSHU-RHSMWYFYSA-N 1 2 381.270 2.144 20 0 GEADLO C[N@@H+](CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O)[C@@H]1CCOC1 ZINC000730257976 651593142 /nfs/dbraw/zinc/59/31/42/651593142.db2.gz CQDUMGZWOBQSHU-RHSMWYFYSA-N 1 2 381.270 2.144 20 0 GEADLO COc1ncc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1Br ZINC000565653597 651596052 /nfs/dbraw/zinc/59/60/52/651596052.db2.gz FVCUCUGOWLTONT-AWEZNQCLSA-N 1 2 377.242 2.034 20 0 GEADLO O=S1(=O)CC[C@@]2(C1)CN(c1[nH+]ccc3cc(Br)ccc31)CCO2 ZINC000645343888 651597794 /nfs/dbraw/zinc/59/77/94/651597794.db2.gz OSFXOYTYRMSBRY-INIZCTEOSA-N 1 2 397.294 2.391 20 0 GEADLO Cc1c[nH+]c(CCSc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)c(C)c1 ZINC000566210188 651602951 /nfs/dbraw/zinc/60/29/51/651602951.db2.gz PIYGYTCOJZGEOW-CQSZACIVSA-N 1 2 380.539 2.139 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000609134667 651611191 /nfs/dbraw/zinc/61/11/91/651611191.db2.gz FWGLNSDYNFEQRV-ZDUSSCGKSA-N 1 2 383.857 2.349 20 0 GEADLO Cn1c[nH+]cc1[C@H]1C[C@H](NS(=O)(=O)CCc2ccc(Cl)cc2)CCO1 ZINC000566791342 651613156 /nfs/dbraw/zinc/61/31/56/651613156.db2.gz YOMUISHRTPLTQR-NVXWUHKLSA-N 1 2 383.901 2.456 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccccc1I ZINC000609205257 651613215 /nfs/dbraw/zinc/61/32/15/651613215.db2.gz MZSKKOGICMQSPE-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccccc1I ZINC000609205257 651613221 /nfs/dbraw/zinc/61/32/21/651613221.db2.gz MZSKKOGICMQSPE-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO CCCCNc1cc(N[C@H](CO)c2cccc(Br)c2)nc(N)[nH+]1 ZINC000566803689 651614212 /nfs/dbraw/zinc/61/42/12/651614212.db2.gz QFQVBTZRVDJLDP-CYBMUJFWSA-N 1 2 380.290 2.601 20 0 GEADLO CCCCNc1cc(N[C@H](CO)c2cccc(Br)c2)[nH+]c(N)n1 ZINC000566803689 651614216 /nfs/dbraw/zinc/61/42/16/651614216.db2.gz QFQVBTZRVDJLDP-CYBMUJFWSA-N 1 2 380.290 2.601 20 0 GEADLO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000731005411 651615306 /nfs/dbraw/zinc/61/53/06/651615306.db2.gz MWEUPSYCIIRNEX-UHFFFAOYSA-N 1 2 375.422 2.487 20 0 GEADLO O=C(c1cc(I)ccc1O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609354480 651617442 /nfs/dbraw/zinc/61/74/42/651617442.db2.gz OTERVOLRKFGRRF-UHFFFAOYSA-N 1 2 396.184 2.295 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCCc2ccc(Br)cc2F)CCO1 ZINC000731117136 651618769 /nfs/dbraw/zinc/61/87/69/651618769.db2.gz UPZGQHUOLHWCII-LBPRGKRZSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCc2ccc(Br)cc2F)CCO1 ZINC000731117136 651618774 /nfs/dbraw/zinc/61/87/74/651618774.db2.gz UPZGQHUOLHWCII-LBPRGKRZSA-N 1 2 388.281 2.151 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cn2nc(C)c(Br)c2C)C1 ZINC000731659009 651630410 /nfs/dbraw/zinc/63/04/10/651630410.db2.gz LHEVBSQXFXKBGN-BXUZGUMPSA-N 1 2 387.322 2.083 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cn2nc(C)c(Br)c2C)C1 ZINC000731659009 651630414 /nfs/dbraw/zinc/63/04/14/651630414.db2.gz LHEVBSQXFXKBGN-BXUZGUMPSA-N 1 2 387.322 2.083 20 0 GEADLO CC(C)(C)c1csc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)n1 ZINC000731678693 651631418 /nfs/dbraw/zinc/63/14/18/651631418.db2.gz ZGGFWQLHQQCCPU-UHFFFAOYSA-N 1 2 388.559 2.071 20 0 GEADLO COCC(=O)NC1CC[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000609798303 651632159 /nfs/dbraw/zinc/63/21/59/651632159.db2.gz PUHKYNMCYUYEPB-XMMPIXPASA-N 1 2 393.336 2.328 20 0 GEADLO CN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732036325 651642325 /nfs/dbraw/zinc/64/23/25/651642325.db2.gz PRNQJEQDFNFSOA-CYBMUJFWSA-N 1 2 376.400 2.289 20 0 GEADLO CN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732036325 651642328 /nfs/dbraw/zinc/64/23/28/651642328.db2.gz PRNQJEQDFNFSOA-CYBMUJFWSA-N 1 2 376.400 2.289 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccccc1Br)[C@H]1CCc2c[nH+]cn2C1 ZINC000568094552 651650867 /nfs/dbraw/zinc/65/08/67/651650867.db2.gz JCENEXRPXNZNRU-HIFRSBDPSA-N 1 2 392.297 2.175 20 0 GEADLO C[C@H](SCc1nn(C)cc1Cl)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000568876832 651686216 /nfs/dbraw/zinc/68/62/16/651686216.db2.gz RAMLHLZBTOURAA-ZDUSSCGKSA-N 1 2 379.917 2.439 20 0 GEADLO O=C(CCc1cscn1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000733528823 651712398 /nfs/dbraw/zinc/71/23/98/651712398.db2.gz WPIQBVFJFVBQIS-UHFFFAOYSA-N 1 2 379.507 2.025 20 0 GEADLO CCOC(=O)C[C@H](O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000611237604 651715275 /nfs/dbraw/zinc/71/52/75/651715275.db2.gz PTVQFEKOQSKZLP-HNNXBMFYSA-N 1 2 389.323 2.468 20 0 GEADLO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000569753193 651722313 /nfs/dbraw/zinc/72/23/13/651722313.db2.gz UDJSLEHMZXVLQC-UHFFFAOYSA-N 1 2 398.282 2.014 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000611501172 651726652 /nfs/dbraw/zinc/72/66/52/651726652.db2.gz WMDWZNVTLCEJIV-WQGACYEGSA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000611501172 651726656 /nfs/dbraw/zinc/72/66/56/651726656.db2.gz WMDWZNVTLCEJIV-WQGACYEGSA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c(Br)c1 ZINC000569832808 651728016 /nfs/dbraw/zinc/72/80/16/651728016.db2.gz OXEPIWGFFLEYGT-ZDUSSCGKSA-N 1 2 385.302 2.388 20 0 GEADLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c(Br)c1 ZINC000569832808 651728019 /nfs/dbraw/zinc/72/80/19/651728019.db2.gz OXEPIWGFFLEYGT-ZDUSSCGKSA-N 1 2 385.302 2.388 20 0 GEADLO C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CCS(=O)(=O)C1 ZINC000569887795 651731283 /nfs/dbraw/zinc/73/12/83/651731283.db2.gz ORCXHQJRQREEKN-CJNGLKHVSA-N 1 2 387.933 2.019 20 0 GEADLO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(F)cc(F)cc1F ZINC000734242993 651740324 /nfs/dbraw/zinc/74/03/24/651740324.db2.gz CPIKXNDIAZMKKR-ZDUSSCGKSA-N 1 2 378.416 2.026 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000648009312 651769757 /nfs/dbraw/zinc/76/97/57/651769757.db2.gz BFJBQIOZPNANCF-JTQLQIEISA-N 1 2 399.257 2.174 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000648009312 651769764 /nfs/dbraw/zinc/76/97/64/651769764.db2.gz BFJBQIOZPNANCF-JTQLQIEISA-N 1 2 399.257 2.174 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)c1cnc(Cl)c(C)c1)[NH+]1CCOCC1 ZINC000735312120 651776577 /nfs/dbraw/zinc/77/65/77/651776577.db2.gz RKMCZKMJAZTLEL-INIZCTEOSA-N 1 2 389.949 2.459 20 0 GEADLO C[C@H](CC(=O)N1CCN(c2cccc[nH+]2)CC1)n1cc(Br)cn1 ZINC000648215536 651776704 /nfs/dbraw/zinc/77/67/04/651776704.db2.gz UIEWSVMJIIGHHK-CYBMUJFWSA-N 1 2 378.274 2.341 20 0 GEADLO CO[C@@H](C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)[C@H]1CCOC1 ZINC000613478121 651788126 /nfs/dbraw/zinc/78/81/26/651788126.db2.gz ASGBVEYDYRANFA-SWLSCSKDSA-N 1 2 396.285 2.115 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000570826642 651793961 /nfs/dbraw/zinc/79/39/61/651793961.db2.gz DFRFFEIOQZJWKJ-UHFFFAOYSA-N 1 2 393.278 2.137 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000570826642 651793965 /nfs/dbraw/zinc/79/39/65/651793965.db2.gz DFRFFEIOQZJWKJ-UHFFFAOYSA-N 1 2 393.278 2.137 20 0 GEADLO COC(=O)C(C)(C)CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000571241717 651820296 /nfs/dbraw/zinc/82/02/96/651820296.db2.gz ZJBYYBIKQQNOMA-LSDHHAIUSA-N 1 2 388.917 2.204 20 0 GEADLO COC(=O)C(C)(C)CS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000571241717 651820298 /nfs/dbraw/zinc/82/02/98/651820298.db2.gz ZJBYYBIKQQNOMA-LSDHHAIUSA-N 1 2 388.917 2.204 20 0 GEADLO O=C(C[N@@H+]1C[C@@H]2C[C@H]1CS2)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000571262129 651821565 /nfs/dbraw/zinc/82/15/65/651821565.db2.gz ZALLVPAGJDGWNO-HOTGVXAUSA-N 1 2 377.535 2.004 20 0 GEADLO O=C(C[N@H+]1C[C@@H]2C[C@H]1CS2)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000571262129 651821567 /nfs/dbraw/zinc/82/15/67/651821567.db2.gz ZALLVPAGJDGWNO-HOTGVXAUSA-N 1 2 377.535 2.004 20 0 GEADLO C[C@@H]1CN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC[S@](=O)C1 ZINC000571286376 651823246 /nfs/dbraw/zinc/82/32/46/651823246.db2.gz JTUNOEGMOVHLJW-SHZVTRLKSA-N 1 2 380.901 2.436 20 0 GEADLO Cc1nccc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)C2)n1 ZINC000649490917 651827661 /nfs/dbraw/zinc/82/76/61/651827661.db2.gz VKGYDNQPZIROOC-AWEZNQCLSA-N 1 2 380.901 2.465 20 0 GEADLO Cc1nccc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)C2)n1 ZINC000649490917 651827665 /nfs/dbraw/zinc/82/76/65/651827665.db2.gz VKGYDNQPZIROOC-AWEZNQCLSA-N 1 2 380.901 2.465 20 0 GEADLO O=C(Cn1cc(Br)cn1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614674504 651832112 /nfs/dbraw/zinc/83/21/12/651832112.db2.gz SHGFADVIKYVSLT-UHFFFAOYSA-N 1 2 398.330 2.267 20 0 GEADLO C[C@H](CC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1)n1cc[nH+]c1 ZINC000649880885 651836102 /nfs/dbraw/zinc/83/61/02/651836102.db2.gz PCZXNZVGWZXQRJ-MLGOLLRUSA-N 1 2 391.269 2.296 20 0 GEADLO C[C@H]1CC[C@@H]([N@H+](CCO)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000571569412 651841164 /nfs/dbraw/zinc/84/11/64/651841164.db2.gz BXDYAGMMNRTKNI-QWHCGFSZSA-N 1 2 388.917 2.165 20 0 GEADLO C[C@H]1CC[C@@H]([N@@H+](CCO)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000571569412 651841166 /nfs/dbraw/zinc/84/11/66/651841166.db2.gz BXDYAGMMNRTKNI-QWHCGFSZSA-N 1 2 388.917 2.165 20 0 GEADLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000614924978 651845680 /nfs/dbraw/zinc/84/56/80/651845680.db2.gz QIHMVEKMWVMXOH-AWEZNQCLSA-N 1 2 379.404 2.117 20 0 GEADLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000614924978 651845682 /nfs/dbraw/zinc/84/56/82/651845682.db2.gz QIHMVEKMWVMXOH-AWEZNQCLSA-N 1 2 379.404 2.117 20 0 GEADLO O=C(Cc1ccc(Br)cc1F)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000614960530 651846710 /nfs/dbraw/zinc/84/67/10/651846710.db2.gz YHALYLHBMDKZNT-HNNXBMFYSA-N 1 2 385.277 2.454 20 0 GEADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615127794 651850803 /nfs/dbraw/zinc/85/08/03/651850803.db2.gz SZKZCHGXYQJPQJ-TZMCWYRMSA-N 1 2 391.269 2.283 20 0 GEADLO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615545892 651866637 /nfs/dbraw/zinc/86/66/37/651866637.db2.gz XSFJTQYASQVEMS-GDBMZVCRSA-N 1 2 395.297 2.248 20 0 GEADLO COCCN1CC[N@H+](CCCc2ccc(Br)cc2OC)CC1=O ZINC000572520138 651897511 /nfs/dbraw/zinc/89/75/11/651897511.db2.gz YGZSOLBYPWNQBW-UHFFFAOYSA-N 1 2 385.302 2.181 20 0 GEADLO COCCN1CC[N@@H+](CCCc2ccc(Br)cc2OC)CC1=O ZINC000572520138 651897513 /nfs/dbraw/zinc/89/75/13/651897513.db2.gz YGZSOLBYPWNQBW-UHFFFAOYSA-N 1 2 385.302 2.181 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)C(C)(C)C1 ZINC000651900393 651899634 /nfs/dbraw/zinc/89/96/34/651899634.db2.gz PODDJHXJNYOESH-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)C(C)(C)C1 ZINC000651900393 651899640 /nfs/dbraw/zinc/89/96/40/651899640.db2.gz PODDJHXJNYOESH-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)NCCCCn1cc(Br)cn1 ZINC000651945727 651907536 /nfs/dbraw/zinc/90/75/36/651907536.db2.gz IJBACDNNSKNFHU-UHFFFAOYSA-N 1 2 380.290 2.318 20 0 GEADLO COC(=O)[C@@H](C)[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CCC1 ZINC000616804525 651910283 /nfs/dbraw/zinc/91/02/83/651910283.db2.gz RRLGPINLZOECFY-LLVKDONJSA-N 1 2 394.269 2.373 20 0 GEADLO COC(=O)[C@@H](C)[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CCC1 ZINC000616804525 651910289 /nfs/dbraw/zinc/91/02/89/651910289.db2.gz RRLGPINLZOECFY-LLVKDONJSA-N 1 2 394.269 2.373 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000653001560 651931854 /nfs/dbraw/zinc/93/18/54/651931854.db2.gz XRMOOAIQOUEJMS-UHFFFAOYSA-N 1 2 391.295 2.179 20 0 GEADLO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000741256381 651942797 /nfs/dbraw/zinc/94/27/97/651942797.db2.gz QYVDEBDHVBFFRW-DLBZAZTESA-N 1 2 387.929 2.366 20 0 GEADLO CO[C@@H](C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccccc1Br ZINC000653769564 651953230 /nfs/dbraw/zinc/95/32/30/651953230.db2.gz LPQUDXXTUYDGBZ-CZUORRHYSA-N 1 2 385.302 2.316 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1csc(Br)c1 ZINC000573540844 651962863 /nfs/dbraw/zinc/96/28/63/651962863.db2.gz OKQHHWHRFDSBRA-UHFFFAOYSA-N 1 2 389.315 2.122 20 0 GEADLO O=S(=O)(NC[C@H]1CC[NH2+]CC1(F)F)c1cc(C(F)(F)F)ccc1F ZINC000573563841 651964941 /nfs/dbraw/zinc/96/49/41/651964941.db2.gz JGUXPKHSRAHLBE-SECBINFHSA-N 1 2 376.322 2.368 20 0 GEADLO O=S(=O)(NC[C@@H]1CC[NH2+]CC1(F)F)c1cc(C(F)(F)F)ccc1F ZINC000573563845 651965127 /nfs/dbraw/zinc/96/51/27/651965127.db2.gz JGUXPKHSRAHLBE-VIFPVBQESA-N 1 2 376.322 2.368 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cc(N(C)C)c2)[C@H](C)CO1 ZINC000617722767 651966852 /nfs/dbraw/zinc/96/68/52/651966852.db2.gz DQYMHYMLEYJKCD-CHWSQXEVSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc(N(C)C)c2)[C@H](C)CO1 ZINC000617722767 651966859 /nfs/dbraw/zinc/96/68/59/651966859.db2.gz DQYMHYMLEYJKCD-CHWSQXEVSA-N 1 2 384.318 2.354 20 0 GEADLO COc1ccc(Br)c(CC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000617730496 651967849 /nfs/dbraw/zinc/96/78/49/651967849.db2.gz NKBALLVCQKPGKA-CHWSQXEVSA-N 1 2 385.302 2.226 20 0 GEADLO COc1ccc(Br)c(CC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000617730496 651967857 /nfs/dbraw/zinc/96/78/57/651967857.db2.gz NKBALLVCQKPGKA-CHWSQXEVSA-N 1 2 385.302 2.226 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2[nH]nc3ccc(Br)cc32)[C@@H](C)CO1 ZINC000617732335 651968093 /nfs/dbraw/zinc/96/80/93/651968093.db2.gz DJIZXCMGMRDCGI-QWRGUYRKSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2[nH]nc3ccc(Br)cc32)[C@@H](C)CO1 ZINC000617732335 651968104 /nfs/dbraw/zinc/96/81/04/651968104.db2.gz DJIZXCMGMRDCGI-QWRGUYRKSA-N 1 2 381.274 2.164 20 0 GEADLO COc1ccc(Br)cc1CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617734051 651968875 /nfs/dbraw/zinc/96/88/75/651968875.db2.gz ZNFMUZJSZZFYMT-OLZOCXBDSA-N 1 2 385.302 2.226 20 0 GEADLO COc1ccc(Br)cc1CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617734051 651968883 /nfs/dbraw/zinc/96/88/83/651968883.db2.gz ZNFMUZJSZZFYMT-OLZOCXBDSA-N 1 2 385.302 2.226 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617733968 651969311 /nfs/dbraw/zinc/96/93/11/651969311.db2.gz YFZSIUZGHALTDW-MGPQQGTHSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617733968 651969317 /nfs/dbraw/zinc/96/93/17/651969317.db2.gz YFZSIUZGHALTDW-MGPQQGTHSA-N 1 2 385.302 2.442 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)c1 ZINC000574161781 652005246 /nfs/dbraw/zinc/00/52/46/652005246.db2.gz JHYBURMIHCNSPZ-ZDUSSCGKSA-N 1 2 381.263 2.439 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000574218202 652009006 /nfs/dbraw/zinc/00/90/06/652009006.db2.gz UVMQZNQZJFKEBL-LLVKDONJSA-N 1 2 379.258 2.448 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000574218202 652009009 /nfs/dbraw/zinc/00/90/09/652009009.db2.gz UVMQZNQZJFKEBL-LLVKDONJSA-N 1 2 379.258 2.448 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000656251476 652027722 /nfs/dbraw/zinc/02/77/22/652027722.db2.gz HWJJFDZVHXSRSU-OAHLLOKOSA-N 1 2 382.917 2.348 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000656251476 652027737 /nfs/dbraw/zinc/02/77/37/652027737.db2.gz HWJJFDZVHXSRSU-OAHLLOKOSA-N 1 2 382.917 2.348 20 0 GEADLO O=C(N[C@@H](CCO)c1ccccc1Br)[C@H]1CCn2cc[nH+]c2C1 ZINC000574715629 652037869 /nfs/dbraw/zinc/03/78/69/652037869.db2.gz GHHCLMJWEMWDGQ-WFASDCNBSA-N 1 2 378.270 2.448 20 0 GEADLO CC1CC[NH+](Cc2csc(NC(=O)CS(=O)(=O)NC(C)(C)C)n2)CC1 ZINC000619155700 652046111 /nfs/dbraw/zinc/04/61/11/652046111.db2.gz OBHWATJFYLVRPO-UHFFFAOYSA-N 1 2 388.559 2.031 20 0 GEADLO COC(=O)C[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CNc2ccnn2C1 ZINC000619266093 652050823 /nfs/dbraw/zinc/05/08/23/652050823.db2.gz LUVHMSPSBUQIPJ-AWEZNQCLSA-N 1 2 393.285 2.363 20 0 GEADLO COC(=O)C[N@H+](Cc1cccc(Br)c1)C[C@@H]1CNc2ccnn2C1 ZINC000619266093 652050830 /nfs/dbraw/zinc/05/08/30/652050830.db2.gz LUVHMSPSBUQIPJ-AWEZNQCLSA-N 1 2 393.285 2.363 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Br)NCCCn1cc[nH+]c1 ZINC000656859104 652059409 /nfs/dbraw/zinc/05/94/09/652059409.db2.gz MCTQIYPLQRAHJH-UHFFFAOYSA-N 1 2 376.251 2.294 20 0 GEADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1nnnn1-c1ccccc1Br ZINC000745082660 652068342 /nfs/dbraw/zinc/06/83/42/652068342.db2.gz HOUKYUFQWCTVPI-AWEZNQCLSA-N 1 2 394.273 2.342 20 0 GEADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1nnnn1-c1ccccc1Br ZINC000745082660 652068349 /nfs/dbraw/zinc/06/83/49/652068349.db2.gz HOUKYUFQWCTVPI-AWEZNQCLSA-N 1 2 394.273 2.342 20 0 GEADLO CCCOc1ccc(Br)cc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000656941671 652070621 /nfs/dbraw/zinc/07/06/21/652070621.db2.gz OUCBJVXXIZQGSQ-UHFFFAOYSA-N 1 2 377.304 2.222 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656950004 652073207 /nfs/dbraw/zinc/07/32/07/652073207.db2.gz XSKGUDWACOBYBF-GHMZBOCLSA-N 1 2 379.295 2.442 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656950004 652073216 /nfs/dbraw/zinc/07/32/16/652073216.db2.gz XSKGUDWACOBYBF-GHMZBOCLSA-N 1 2 379.295 2.442 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Br)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000656963951 652076386 /nfs/dbraw/zinc/07/63/86/652076386.db2.gz DPIDUJPNTNVJHT-GFCCVEGCSA-N 1 2 388.262 2.219 20 0 GEADLO Cc1ccc(Br)c(CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)c1 ZINC000575849511 652081794 /nfs/dbraw/zinc/08/17/94/652081794.db2.gz LZXUACYFUNCMAT-UHFFFAOYSA-N 1 2 390.285 2.438 20 0 GEADLO Cc1ccc(Br)c(CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)c1 ZINC000575849511 652081810 /nfs/dbraw/zinc/08/18/10/652081810.db2.gz LZXUACYFUNCMAT-UHFFFAOYSA-N 1 2 390.285 2.438 20 0 GEADLO O=C(COC(=O)c1ccncc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000745771963 652086084 /nfs/dbraw/zinc/08/60/84/652086084.db2.gz QJBVRQZBHMVEON-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO CC(=O)N1CCc2sc(S(=O)(=O)NCc3cc(C)[nH+]c(C)c3)cc2C1 ZINC000657017537 652088423 /nfs/dbraw/zinc/08/84/23/652088423.db2.gz WOHOETYVDQYVJF-UHFFFAOYSA-N 1 2 379.507 2.143 20 0 GEADLO COCC(C)(C)[NH+]1CCN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CC1 ZINC000576341365 652108094 /nfs/dbraw/zinc/10/80/94/652108094.db2.gz GVOCZTZQSUVYGU-UHFFFAOYSA-N 1 2 381.527 2.263 20 0 GEADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746465618 652108290 /nfs/dbraw/zinc/10/82/90/652108290.db2.gz YQSDLWHJAWTTPK-YYUOZPCZSA-N 1 2 392.352 2.317 20 0 GEADLO COc1ccccc1-c1nc(CN2CC[NH+](CC[S@@](C)=O)CC2)cs1 ZINC000746472269 652109827 /nfs/dbraw/zinc/10/98/27/652109827.db2.gz DBTCXYYMQUGVOV-RUZDIDTESA-N 1 2 379.551 2.315 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000746472868 652109997 /nfs/dbraw/zinc/10/99/97/652109997.db2.gz HGBBYYYXNQUXMK-HSZRJFAPSA-N 1 2 375.325 2.137 20 0 GEADLO COc1cc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc(OC)c1O ZINC000576387430 652112579 /nfs/dbraw/zinc/11/25/79/652112579.db2.gz QUBMHSVCRLMYNQ-OAHLLOKOSA-N 1 2 395.253 2.488 20 0 GEADLO CCSc1nnc(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)s1 ZINC000576692347 652138318 /nfs/dbraw/zinc/13/83/18/652138318.db2.gz BJNDZKSFOWXZHJ-LLVKDONJSA-N 1 2 382.515 2.085 20 0 GEADLO CCSc1nnc(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)s1 ZINC000576692347 652138323 /nfs/dbraw/zinc/13/83/23/652138323.db2.gz BJNDZKSFOWXZHJ-LLVKDONJSA-N 1 2 382.515 2.085 20 0 GEADLO O=C(CSc1n[nH]c(=S)s1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000747204460 652147986 /nfs/dbraw/zinc/14/79/86/652147986.db2.gz GUNLNQOHYFKSMQ-UHFFFAOYSA-N 1 2 377.520 2.480 20 0 GEADLO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc1 ZINC000621353525 652151406 /nfs/dbraw/zinc/15/14/06/652151406.db2.gz XCNXCQCWPAZYQY-SFHVURJKSA-N 1 2 379.503 2.240 20 0 GEADLO CN1CC[N@H+](C)C[C@@H]1c1noc(Cc2ccc(I)cc2)n1 ZINC000577143896 652165510 /nfs/dbraw/zinc/16/55/10/652165510.db2.gz NQIYCPSZUVSYJS-CYBMUJFWSA-N 1 2 398.248 2.183 20 0 GEADLO CN1CC[N@@H+](C)C[C@@H]1c1noc(Cc2ccc(I)cc2)n1 ZINC000577143896 652165519 /nfs/dbraw/zinc/16/55/19/652165519.db2.gz NQIYCPSZUVSYJS-CYBMUJFWSA-N 1 2 398.248 2.183 20 0 GEADLO C[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1nc(C(F)(F)F)cs1 ZINC000577833000 652220130 /nfs/dbraw/zinc/22/01/30/652220130.db2.gz CKYVVMCOFLTZBE-GARJFASQSA-N 1 2 378.420 2.385 20 0 GEADLO C[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1nc(C(F)(F)F)cs1 ZINC000577833000 652220139 /nfs/dbraw/zinc/22/01/39/652220139.db2.gz CKYVVMCOFLTZBE-GARJFASQSA-N 1 2 378.420 2.385 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CO[C@@H](C)C3)[nH+]c12 ZINC000577844351 652221092 /nfs/dbraw/zinc/22/10/92/652221092.db2.gz NXCIYCMESHHRKR-FZMZJTMJSA-N 1 2 381.274 2.424 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000623270587 652229834 /nfs/dbraw/zinc/22/98/34/652229834.db2.gz JSEFAEKSONUBGL-GWCFXTLKSA-N 1 2 379.247 2.284 20 0 GEADLO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[NH2+]C[C@@H]1C(F)F ZINC000577952720 652231204 /nfs/dbraw/zinc/23/12/04/652231204.db2.gz XTTPZGFJGHLLFJ-SECBINFHSA-N 1 2 389.649 2.330 20 0 GEADLO COCc1n[nH]c(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)n1 ZINC000658161543 652240734 /nfs/dbraw/zinc/24/07/34/652240734.db2.gz MPBMWRQMFAMKPE-SNVBAGLBSA-N 1 2 382.262 2.221 20 0 GEADLO C[C@@H]1CN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C[C@@H](C)S1(=O)=O ZINC000578106940 652243941 /nfs/dbraw/zinc/24/39/41/652243941.db2.gz XKGVJUMMAMYQPR-XJKCOSOUSA-N 1 2 387.933 2.160 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000749535636 652257438 /nfs/dbraw/zinc/25/74/38/652257438.db2.gz XBIHHGCWPMWQKK-VWLOTQADSA-N 1 2 379.404 2.110 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000749968021 652276437 /nfs/dbraw/zinc/27/64/37/652276437.db2.gz DGUZPXZGBDUPAT-CYBMUJFWSA-N 1 2 386.880 2.314 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000749968021 652276439 /nfs/dbraw/zinc/27/64/39/652276439.db2.gz DGUZPXZGBDUPAT-CYBMUJFWSA-N 1 2 386.880 2.314 20 0 GEADLO COc1ccc(Br)cc1CNC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000578618491 652283056 /nfs/dbraw/zinc/28/30/56/652283056.db2.gz BLKYVRJGWAWTHG-XEZPLFJOSA-N 1 2 387.318 2.017 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000578885045 652301526 /nfs/dbraw/zinc/30/15/26/652301526.db2.gz ZXLDHXPEONOKOC-ZDUSSCGKSA-N 1 2 388.917 2.222 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000578885045 652301532 /nfs/dbraw/zinc/30/15/32/652301532.db2.gz ZXLDHXPEONOKOC-ZDUSSCGKSA-N 1 2 388.917 2.222 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000750626333 652302877 /nfs/dbraw/zinc/30/28/77/652302877.db2.gz UHZQACAHSVUJIO-JPQMIFPKSA-N 1 2 379.404 2.156 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000750626333 652302884 /nfs/dbraw/zinc/30/28/84/652302884.db2.gz UHZQACAHSVUJIO-JPQMIFPKSA-N 1 2 379.404 2.156 20 0 GEADLO O=S(=O)(NCC1(C[NH+]2CCOCC2)CCCCC1)c1ccc(Cl)nc1 ZINC000751256881 652335504 /nfs/dbraw/zinc/33/55/04/652335504.db2.gz LSWBTJPXUMKQEN-UHFFFAOYSA-N 1 2 387.933 2.296 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000579422990 652336500 /nfs/dbraw/zinc/33/65/00/652336500.db2.gz JFDREJGOZNMCBV-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccccc1SC(F)(F)F ZINC000751431481 652348870 /nfs/dbraw/zinc/34/88/70/652348870.db2.gz PXTIBNBGASKCPX-GFCCVEGCSA-N 1 2 378.416 2.064 20 0 GEADLO CC[C@@H](NC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl)C(=O)N1CCOCC1 ZINC000659250598 652350729 /nfs/dbraw/zinc/35/07/29/652350729.db2.gz MGKJMIPXRLPTEE-UKRRQHHQSA-N 1 2 388.295 2.008 20 0 GEADLO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000659261955 652351818 /nfs/dbraw/zinc/35/18/18/652351818.db2.gz FDGPNEYSFORLBO-GFCCVEGCSA-N 1 2 395.257 2.061 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000579776397 652353862 /nfs/dbraw/zinc/35/38/62/652353862.db2.gz LHRZFGKCWLQZIA-QGZVFWFLSA-N 1 2 382.917 2.382 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000579776397 652353865 /nfs/dbraw/zinc/35/38/65/652353865.db2.gz LHRZFGKCWLQZIA-QGZVFWFLSA-N 1 2 382.917 2.382 20 0 GEADLO O=S(=O)(c1ccccc1C(F)(F)F)N1CCC([NH+]2CCOCC2)CC1 ZINC000625606310 652361188 /nfs/dbraw/zinc/36/11/88/652361188.db2.gz OFPFAJDMJMFLFS-UHFFFAOYSA-N 1 2 378.416 2.191 20 0 GEADLO CCc1nc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cn1CC1CC1 ZINC000659886416 652369169 /nfs/dbraw/zinc/36/91/69/652369169.db2.gz CXBKPUTUPMVDJP-HNNXBMFYSA-N 1 2 382.555 2.498 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000626169207 652383215 /nfs/dbraw/zinc/38/32/15/652383215.db2.gz IBQGFLBDKLZSBK-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000626169207 652383223 /nfs/dbraw/zinc/38/32/23/652383223.db2.gz IBQGFLBDKLZSBK-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000626169493 652383382 /nfs/dbraw/zinc/38/33/82/652383382.db2.gz MFFWYBLBDCRXHR-NEPJUHHUSA-N 1 2 391.896 2.067 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000626169493 652383385 /nfs/dbraw/zinc/38/33/85/652383385.db2.gz MFFWYBLBDCRXHR-NEPJUHHUSA-N 1 2 391.896 2.067 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cccc(Br)c1 ZINC000626183890 652384644 /nfs/dbraw/zinc/38/46/44/652384644.db2.gz XGXXVKOZDXWYBU-QGZVFWFLSA-N 1 2 398.301 2.186 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cccc(Br)c1 ZINC000626183890 652384647 /nfs/dbraw/zinc/38/46/47/652384647.db2.gz XGXXVKOZDXWYBU-QGZVFWFLSA-N 1 2 398.301 2.186 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000580649764 652387345 /nfs/dbraw/zinc/38/73/45/652387345.db2.gz SFYHVMAIZQOBMU-UHFFFAOYSA-N 1 2 376.931 2.085 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000580649764 652387346 /nfs/dbraw/zinc/38/73/46/652387346.db2.gz SFYHVMAIZQOBMU-UHFFFAOYSA-N 1 2 376.931 2.085 20 0 GEADLO COc1cccc(SCC[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000660134059 652389567 /nfs/dbraw/zinc/38/95/67/652389567.db2.gz FLYQHGCFCQMIHF-RDJZCZTQSA-N 1 2 385.551 2.455 20 0 GEADLO COc1cccc(SCC[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000660134059 652389572 /nfs/dbraw/zinc/38/95/72/652389572.db2.gz FLYQHGCFCQMIHF-RDJZCZTQSA-N 1 2 385.551 2.455 20 0 GEADLO OCCOC1CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000580746560 652390572 /nfs/dbraw/zinc/39/05/72/652390572.db2.gz RKJIJMYGJPGQOD-UHFFFAOYSA-N 1 2 381.274 2.003 20 0 GEADLO O=S(=O)(Cc1ccc(Br)c(F)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000580756031 652391160 /nfs/dbraw/zinc/39/11/60/652391160.db2.gz YGUMUEAQVNHXQG-NSHDSACASA-N 1 2 388.262 2.219 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000752866144 652395027 /nfs/dbraw/zinc/39/50/27/652395027.db2.gz OHOBMMRCUUWCPV-WQGACYEGSA-N 1 2 390.311 2.435 20 0 GEADLO CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2c[nH+]cn2C)ccc1Cl ZINC000753146156 652400537 /nfs/dbraw/zinc/40/05/37/652400537.db2.gz KDNNVDGKQFSSMP-UHFFFAOYSA-N 1 2 385.873 2.461 20 0 GEADLO Cn1cc([C@@H]2C[N@H+](Cc3ncc(Br)cc3Cl)C[C@H]2CO)cn1 ZINC000660421403 652401706 /nfs/dbraw/zinc/40/17/06/652401706.db2.gz SNEFDUMFBFXVDG-AAEUAGOBSA-N 1 2 385.693 2.439 20 0 GEADLO Cn1cc([C@@H]2C[N@@H+](Cc3ncc(Br)cc3Cl)C[C@H]2CO)cn1 ZINC000660421403 652401709 /nfs/dbraw/zinc/40/17/09/652401709.db2.gz SNEFDUMFBFXVDG-AAEUAGOBSA-N 1 2 385.693 2.439 20 0 GEADLO Cc1cc(Br)ccc1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660635818 652408496 /nfs/dbraw/zinc/40/84/96/652408496.db2.gz MLXDKXWTFGEAKK-MRXNPFEDSA-N 1 2 382.302 2.374 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCOCCF)[nH+]c12 ZINC000661018057 652417194 /nfs/dbraw/zinc/41/71/94/652417194.db2.gz SIXCVLBWPRXPDO-UHFFFAOYSA-N 1 2 387.253 2.233 20 0 GEADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000581616034 652418663 /nfs/dbraw/zinc/41/86/63/652418663.db2.gz AMKPPNWZBAAFQX-KGLIPLIRSA-N 1 2 384.307 2.192 20 0 GEADLO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661087719 652419085 /nfs/dbraw/zinc/41/90/85/652419085.db2.gz LINCNWPXMZFCNH-YESZJQIVSA-N 1 2 394.313 2.421 20 0 GEADLO C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000661085161 652419142 /nfs/dbraw/zinc/41/91/42/652419142.db2.gz HXBLIEZOQZUZSY-MNOVXSKESA-N 1 2 378.420 2.339 20 0 GEADLO C[C@H]1COCC[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000753988616 652422394 /nfs/dbraw/zinc/42/23/94/652422394.db2.gz YKGDLJLUOXSAQW-PXAZEXFGSA-N 1 2 396.285 2.142 20 0 GEADLO C[C@H]1COCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000753988616 652422396 /nfs/dbraw/zinc/42/23/96/652422396.db2.gz YKGDLJLUOXSAQW-PXAZEXFGSA-N 1 2 396.285 2.142 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)C[N@@H+]2CCSC3(CCC3)CC2)cc1 ZINC000581722317 652423477 /nfs/dbraw/zinc/42/34/77/652423477.db2.gz BCBQRUVTQQFHCC-UHFFFAOYSA-N 1 2 382.551 2.068 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)C[N@H+]2CCSC3(CCC3)CC2)cc1 ZINC000581722317 652423481 /nfs/dbraw/zinc/42/34/81/652423481.db2.gz BCBQRUVTQQFHCC-UHFFFAOYSA-N 1 2 382.551 2.068 20 0 GEADLO O=C(NCCOc1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661258247 652424958 /nfs/dbraw/zinc/42/49/58/652424958.db2.gz HSPCVYZJZPZWDM-CYBMUJFWSA-N 1 2 388.295 2.488 20 0 GEADLO Cc1c(Br)cccc1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661360879 652428584 /nfs/dbraw/zinc/42/85/84/652428584.db2.gz IOBAZVXRWNHDDE-HNNXBMFYSA-N 1 2 382.302 2.374 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000627636690 652436566 /nfs/dbraw/zinc/43/65/66/652436566.db2.gz AMOIFNVWAJRMNV-RHGTVDNUSA-N 1 2 391.309 2.314 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000627636690 652436569 /nfs/dbraw/zinc/43/65/69/652436569.db2.gz AMOIFNVWAJRMNV-RHGTVDNUSA-N 1 2 391.309 2.314 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C[C@H]21 ZINC000661882333 652442082 /nfs/dbraw/zinc/44/20/82/652442082.db2.gz NSSWVTWPWWFTGT-UAGQMJEPSA-N 1 2 382.869 2.239 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C[C@H]21 ZINC000661882333 652442085 /nfs/dbraw/zinc/44/20/85/652442085.db2.gz NSSWVTWPWWFTGT-UAGQMJEPSA-N 1 2 382.869 2.239 20 0 GEADLO O=C(NC1CC([NH+]2CCOCC2)C1)c1c(F)cc(Br)cc1F ZINC000627935042 652443760 /nfs/dbraw/zinc/44/37/60/652443760.db2.gz LHRACYNTMSFUMV-UHFFFAOYSA-N 1 2 375.213 2.320 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000662017069 652445369 /nfs/dbraw/zinc/44/53/69/652445369.db2.gz MXZQAEVLCXBHKP-JTQLQIEISA-N 1 2 398.261 2.280 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000662017069 652445373 /nfs/dbraw/zinc/44/53/73/652445373.db2.gz MXZQAEVLCXBHKP-JTQLQIEISA-N 1 2 398.261 2.280 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000582362771 652447440 /nfs/dbraw/zinc/44/74/40/652447440.db2.gz VENRRNPHKNFRHZ-GJZGRUSLSA-N 1 2 392.253 2.103 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000582362771 652447444 /nfs/dbraw/zinc/44/74/44/652447444.db2.gz VENRRNPHKNFRHZ-GJZGRUSLSA-N 1 2 392.253 2.103 20 0 GEADLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@]1(C)CO ZINC000662140232 652448659 /nfs/dbraw/zinc/44/86/59/652448659.db2.gz URIJANOJAISGER-WFASDCNBSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@]1(C)CO ZINC000662140232 652448663 /nfs/dbraw/zinc/44/86/63/652448663.db2.gz URIJANOJAISGER-WFASDCNBSA-N 1 2 376.316 2.173 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C2 ZINC000662227915 652453864 /nfs/dbraw/zinc/45/38/64/652453864.db2.gz XIHODHRNQRMHHC-CQSZACIVSA-N 1 2 386.926 2.011 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)C2 ZINC000662227915 652453867 /nfs/dbraw/zinc/45/38/67/652453867.db2.gz XIHODHRNQRMHHC-CQSZACIVSA-N 1 2 386.926 2.011 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1OCC(F)(F)F ZINC000628187567 652454481 /nfs/dbraw/zinc/45/44/81/652454481.db2.gz UEQMFXOCFQWGDJ-LBPRGKRZSA-N 1 2 384.395 2.280 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(F)c1OCC(F)(F)F ZINC000628187567 652454484 /nfs/dbraw/zinc/45/44/84/652454484.db2.gz UEQMFXOCFQWGDJ-LBPRGKRZSA-N 1 2 384.395 2.280 20 0 GEADLO COCC(C)(C)[NH+]1CCN(C(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000662522235 652466203 /nfs/dbraw/zinc/46/62/03/652466203.db2.gz RDBAFZHETWAMQD-OAHLLOKOSA-N 1 2 384.318 2.018 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCSC2)[C@@H]1c1ccc(Cl)cc1 ZINC000582926274 652467443 /nfs/dbraw/zinc/46/74/43/652467443.db2.gz JJKRSHLJMJEOCG-RCBQFDQVSA-N 1 2 381.929 2.071 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCSC2)[C@@H]1c1ccc(Cl)cc1 ZINC000582926274 652467446 /nfs/dbraw/zinc/46/74/46/652467446.db2.gz JJKRSHLJMJEOCG-RCBQFDQVSA-N 1 2 381.929 2.071 20 0 GEADLO COCc1nsc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)n1 ZINC000662548239 652467725 /nfs/dbraw/zinc/46/77/25/652467725.db2.gz DKNSSCKOTGPSDE-UHFFFAOYSA-N 1 2 375.273 2.364 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000582980386 652469384 /nfs/dbraw/zinc/46/93/84/652469384.db2.gz CPJLRFQUIXXLFK-CQSZACIVSA-N 1 2 388.917 2.357 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000582980386 652469389 /nfs/dbraw/zinc/46/93/89/652469389.db2.gz CPJLRFQUIXXLFK-CQSZACIVSA-N 1 2 388.917 2.357 20 0 GEADLO COc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2CSCCS2)CC1 ZINC000756062542 652486507 /nfs/dbraw/zinc/48/65/07/652486507.db2.gz YKVBOFQEOOZVRQ-INIZCTEOSA-N 1 2 381.567 2.371 20 0 GEADLO C[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CS1(=O)=O ZINC000663450681 652501067 /nfs/dbraw/zinc/50/10/67/652501067.db2.gz LICYBQIMRBCMBT-ILXRZTDVSA-N 1 2 385.555 2.150 20 0 GEADLO O=S(=O)(CCc1cccc(Cl)c1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000583887720 652501402 /nfs/dbraw/zinc/50/14/02/652501402.db2.gz BNHNTLWYYQZDNS-ROUUACIJSA-N 1 2 386.945 2.445 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000663637810 652507390 /nfs/dbraw/zinc/50/73/90/652507390.db2.gz DYAGZFCQVMRGRG-LBPRGKRZSA-N 1 2 388.295 2.487 20 0 GEADLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1cc(Br)cnn1 ZINC000663832054 652512567 /nfs/dbraw/zinc/51/25/67/652512567.db2.gz YJKUGSXOZAADMH-KBPBESRZSA-N 1 2 383.269 2.021 20 0 GEADLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1cc(Br)cnn1 ZINC000663832054 652512571 /nfs/dbraw/zinc/51/25/71/652512571.db2.gz YJKUGSXOZAADMH-KBPBESRZSA-N 1 2 383.269 2.021 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2ccc(Br)c(F)c2)[C@@H](C)CO1 ZINC000663862695 652513650 /nfs/dbraw/zinc/51/36/50/652513650.db2.gz CUOUYIFWULBPKP-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(Br)c(F)c2)[C@@H](C)CO1 ZINC000663862695 652513654 /nfs/dbraw/zinc/51/36/54/652513654.db2.gz CUOUYIFWULBPKP-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO Cc1nc(NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Br)c(C)[nH+]1 ZINC000663905633 652515889 /nfs/dbraw/zinc/51/58/89/652515889.db2.gz ISJABJAKUNJTAJ-NEPJUHHUSA-N 1 2 391.335 2.376 20 0 GEADLO Cc1cc(N2CCS(=O)(=O)CC2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631095657 652519984 /nfs/dbraw/zinc/51/99/84/652519984.db2.gz GMISHZWCAJETBN-UHFFFAOYSA-N 1 2 382.283 2.449 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cn(-c2ccccc2Br)nn1 ZINC000584501628 652523231 /nfs/dbraw/zinc/52/32/31/652523231.db2.gz MHQNOQVJKVAZQC-AWEZNQCLSA-N 1 2 394.317 2.182 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000584705741 652526171 /nfs/dbraw/zinc/52/61/71/652526171.db2.gz OLOMSMNAFFNHTE-GASCZTMLSA-N 1 2 398.301 2.120 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000584705741 652526174 /nfs/dbraw/zinc/52/61/74/652526174.db2.gz OLOMSMNAFFNHTE-GASCZTMLSA-N 1 2 398.301 2.120 20 0 GEADLO O=C(c1cccnc1I)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000758062550 652529866 /nfs/dbraw/zinc/52/98/66/652529866.db2.gz KKKREMJPUUVWDL-LLVKDONJSA-N 1 2 382.205 2.360 20 0 GEADLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2cscc2Br)C[C@H](C)O1 ZINC000631702574 652531466 /nfs/dbraw/zinc/53/14/66/652531466.db2.gz OZKAUFZJUKPVCW-QWRGUYRKSA-N 1 2 397.360 2.288 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@@H]2CCC(F)(F)C2)C[C@H](C)O1 ZINC000631797675 652534779 /nfs/dbraw/zinc/53/47/79/652534779.db2.gz DNYPPTGEMONMEW-QXSJWSMHSA-N 1 2 380.501 2.325 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@@H]2CCC(F)(F)C2)C[C@H](C)O1 ZINC000631797675 652534782 /nfs/dbraw/zinc/53/47/82/652534782.db2.gz DNYPPTGEMONMEW-QXSJWSMHSA-N 1 2 380.501 2.325 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccsc2Br)[C@H](C)CO1 ZINC000664837420 652540552 /nfs/dbraw/zinc/54/05/52/652540552.db2.gz HHQDKPUIYXWCFU-GHMZBOCLSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccsc2Br)[C@H](C)CO1 ZINC000664837420 652540553 /nfs/dbraw/zinc/54/05/53/652540553.db2.gz HHQDKPUIYXWCFU-GHMZBOCLSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCCSCc1ccnc(Cl)c1)[NH+]1CCOCC1 ZINC000758456604 652542649 /nfs/dbraw/zinc/54/26/49/652542649.db2.gz VBSXVJKXMJCETF-UONOGXRCSA-N 1 2 386.949 2.377 20 0 GEADLO O=C(Cc1ccc(I)cc1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587051272 652544277 /nfs/dbraw/zinc/54/42/77/652544277.db2.gz IECKVZHVVLCHGS-ZDUSSCGKSA-N 1 2 381.217 2.161 20 0 GEADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632050484 652546840 /nfs/dbraw/zinc/54/68/40/652546840.db2.gz JSRNGWHPJUOQSN-UHFFFAOYSA-N 1 2 382.511 2.171 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000758580991 652547652 /nfs/dbraw/zinc/54/76/52/652547652.db2.gz XTRUQSIITZTUTA-LRDDRELGSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000758580991 652547655 /nfs/dbraw/zinc/54/76/55/652547655.db2.gz XTRUQSIITZTUTA-LRDDRELGSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000588278356 652551456 /nfs/dbraw/zinc/55/14/56/652551456.db2.gz XDTKIHDVKDSAFN-KCXAZCMYSA-N 1 2 382.302 2.325 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cnc(Cl)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000759102147 652563077 /nfs/dbraw/zinc/56/30/77/652563077.db2.gz FBTSJKDILDVHQS-OAHLLOKOSA-N 1 2 382.917 2.359 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cnc(Cl)n2C)CC[N@H+]1Cc1ccccc1 ZINC000759102147 652563080 /nfs/dbraw/zinc/56/30/80/652563080.db2.gz FBTSJKDILDVHQS-OAHLLOKOSA-N 1 2 382.917 2.359 20 0 GEADLO COc1cc(Br)c(N)c(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000759318646 652569190 /nfs/dbraw/zinc/56/91/90/652569190.db2.gz YHCHMNBUZSUGGW-PHIMTYICSA-N 1 2 385.258 2.060 20 0 GEADLO COc1cc(Br)c(N)c(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000759318646 652569193 /nfs/dbraw/zinc/56/91/93/652569193.db2.gz YHCHMNBUZSUGGW-PHIMTYICSA-N 1 2 385.258 2.060 20 0 GEADLO C[C@@H]1CC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CS1(=O)=O ZINC000666374910 652573810 /nfs/dbraw/zinc/57/38/10/652573810.db2.gz OYBUCRZBEJXEDS-WQVCFCJDSA-N 1 2 387.933 2.208 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1c(Cl)cccc1Br ZINC000666429878 652577067 /nfs/dbraw/zinc/57/70/67/652577067.db2.gz QAGMHQSCLMUMRX-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO COC(=O)[C@@]1(C)CC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000759754797 652585206 /nfs/dbraw/zinc/58/52/06/652585206.db2.gz JGFRKJJDKFQMMT-JKSUJKDBSA-N 1 2 385.873 2.011 20 0 GEADLO COC(=O)[C@@]1(C)CC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000759754797 652585207 /nfs/dbraw/zinc/58/52/07/652585207.db2.gz JGFRKJJDKFQMMT-JKSUJKDBSA-N 1 2 385.873 2.011 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000633092531 652585971 /nfs/dbraw/zinc/58/59/71/652585971.db2.gz PJLZDWHJBXCYCC-IAOMBJDPSA-N 1 2 394.313 2.107 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000633092531 652585976 /nfs/dbraw/zinc/58/59/76/652585976.db2.gz PJLZDWHJBXCYCC-IAOMBJDPSA-N 1 2 394.313 2.107 20 0 GEADLO COCCC[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000759850395 652589045 /nfs/dbraw/zinc/58/90/45/652589045.db2.gz HFIISILBIPJXNF-CZUORRHYSA-N 1 2 379.881 2.038 20 0 GEADLO COCCC[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000759850395 652589046 /nfs/dbraw/zinc/58/90/46/652589046.db2.gz HFIISILBIPJXNF-CZUORRHYSA-N 1 2 379.881 2.038 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000592197054 652590519 /nfs/dbraw/zinc/59/05/19/652590519.db2.gz LOIGIBRAUZKDPE-VXGBXAGGSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000592197054 652590520 /nfs/dbraw/zinc/59/05/20/652590520.db2.gz LOIGIBRAUZKDPE-VXGBXAGGSA-N 1 2 395.253 2.460 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000633427219 652596366 /nfs/dbraw/zinc/59/63/66/652596366.db2.gz IXRKAZCBWOYPPG-UHFFFAOYSA-N 1 2 379.448 2.408 20 0 GEADLO Cn1ncc(Br)c1CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000633428267 652596570 /nfs/dbraw/zinc/59/65/70/652596570.db2.gz YCYGECZBHSURNN-UHFFFAOYSA-N 1 2 398.330 2.272 20 0 GEADLO Cc1nnc(CN(C)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000633487426 652600399 /nfs/dbraw/zinc/60/03/99/652600399.db2.gz VYRWPNMLTSEHQM-UHFFFAOYSA-N 1 2 378.527 2.136 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)CC1CS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000633686219 652606941 /nfs/dbraw/zinc/60/69/41/652606941.db2.gz ICVXLDAWDPYDHL-CQSZACIVSA-N 1 2 379.309 2.147 20 0 GEADLO O=C(CNC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Br)c(F)c1 ZINC000633709939 652608440 /nfs/dbraw/zinc/60/84/40/652608440.db2.gz UJVGYOOCUIAZHB-NSHDSACASA-N 1 2 380.217 2.346 20 0 GEADLO CN(C)[C@@H](C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)c1c[nH+]cn1C ZINC000633732073 652609162 /nfs/dbraw/zinc/60/91/62/652609162.db2.gz UIBPBJQXTGFGOM-SSDOTTSWSA-N 1 2 384.334 2.167 20 0 GEADLO OC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2I)C[C@@H]1O ZINC000593026952 652612247 /nfs/dbraw/zinc/61/22/47/652612247.db2.gz ICGCEWOVLYNKBD-ZANVPECISA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2I)C[C@@H]1O ZINC000593026952 652612252 /nfs/dbraw/zinc/61/22/52/652612252.db2.gz ICGCEWOVLYNKBD-ZANVPECISA-N 1 2 381.641 2.120 20 0 GEADLO CN1C(=O)N(C[C@H]2CN(C)CC[N@@H+]2C)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000761277669 652640806 /nfs/dbraw/zinc/64/08/06/652640806.db2.gz IKFVCEDGRMIMLA-DOMZBBRYSA-N 1 2 385.295 2.174 20 0 GEADLO CN1C(=O)N(C[C@H]2CN(C)CC[N@H+]2C)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000761277669 652640808 /nfs/dbraw/zinc/64/08/08/652640808.db2.gz IKFVCEDGRMIMLA-DOMZBBRYSA-N 1 2 385.295 2.174 20 0 GEADLO O=C(Cc1ccc(Br)s1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634511394 652641972 /nfs/dbraw/zinc/64/19/72/652641972.db2.gz MQQRJAVMKJNFRN-UHFFFAOYSA-N 1 2 395.326 2.230 20 0 GEADLO Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000634660866 652651590 /nfs/dbraw/zinc/65/15/90/652651590.db2.gz DOKMZYBDXMQICV-SECBINFHSA-N 1 2 376.301 2.309 20 0 GEADLO O=S(=O)(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(F)c(Br)cc1F ZINC000634660984 652651751 /nfs/dbraw/zinc/65/17/51/652651751.db2.gz HFDPEXBILLHDLT-MRVPVSSYSA-N 1 2 392.225 2.217 20 0 GEADLO COc1ncc(S(=O)(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc1Cl ZINC000634795490 652667206 /nfs/dbraw/zinc/66/72/06/652667206.db2.gz ZIXRNKOSPWLKGV-UHFFFAOYSA-N 1 2 385.877 2.008 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H]4COC[C@@H]4C3)[nH+]c12 ZINC000634913715 652675641 /nfs/dbraw/zinc/67/56/41/652675641.db2.gz ACBRYQLGOARUNR-BETUJISGSA-N 1 2 393.285 2.236 20 0 GEADLO C[C@]1(c2cccc(Br)c2)NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000762189816 652679942 /nfs/dbraw/zinc/67/99/42/652679942.db2.gz STLRCYXNXUAOHJ-SUMWQHHRSA-N 1 2 389.253 2.428 20 0 GEADLO CS(=O)(=O)Nc1ccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000635171133 652698018 /nfs/dbraw/zinc/69/80/18/652698018.db2.gz PEIXAHNDMQNROC-LBPRGKRZSA-N 1 2 376.360 2.387 20 0 GEADLO C[C@H](C(=O)Nc1cccc(I)c1)N1CCn2c[nH+]cc2C1 ZINC000595494607 652730860 /nfs/dbraw/zinc/73/08/60/652730860.db2.gz LAIDSEMNFCJLFE-LLVKDONJSA-N 1 2 396.232 2.331 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000635779062 652754323 /nfs/dbraw/zinc/75/43/23/652754323.db2.gz OVJIJQHXEFFEMT-JTQLQIEISA-N 1 2 393.163 2.477 20 0 GEADLO O=C(NCc1ccc(Br)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000670832459 652766557 /nfs/dbraw/zinc/76/65/57/652766557.db2.gz HBSQDSMOPHYREF-HNNXBMFYSA-N 1 2 391.269 2.126 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636007016 652773290 /nfs/dbraw/zinc/77/32/90/652773290.db2.gz JSMJTZVWFJLMAY-JHJVBQTASA-N 1 2 396.260 2.382 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccc(F)c(Br)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636007016 652773296 /nfs/dbraw/zinc/77/32/96/652773296.db2.gz JSMJTZVWFJLMAY-JHJVBQTASA-N 1 2 396.260 2.382 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cncc(Br)c3C)C2)nn1 ZINC000597086946 652774624 /nfs/dbraw/zinc/77/46/24/652774624.db2.gz PEUKMCUMQMRSEA-CYBMUJFWSA-N 1 2 394.273 2.368 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cncc(Br)c3C)C2)nn1 ZINC000597086946 652774628 /nfs/dbraw/zinc/77/46/28/652774628.db2.gz PEUKMCUMQMRSEA-CYBMUJFWSA-N 1 2 394.273 2.368 20 0 GEADLO CS(=O)(=O)C1(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCCCC1 ZINC000636200646 652785434 /nfs/dbraw/zinc/78/54/34/652785434.db2.gz QOSDLEBCIWAPCK-LBPRGKRZSA-N 1 2 381.420 2.240 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1Br ZINC000598185445 652802974 /nfs/dbraw/zinc/80/29/74/652802974.db2.gz PDCNHBAXQOZNBC-IAQYHMDHSA-N 1 2 392.253 2.239 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1Br ZINC000598185447 652803041 /nfs/dbraw/zinc/80/30/41/652803041.db2.gz PDCNHBAXQOZNBC-NHYWBVRUSA-N 1 2 392.253 2.239 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000636557871 652808480 /nfs/dbraw/zinc/80/84/80/652808480.db2.gz DFBUEHMNFOUOTA-BLLLJJGKSA-N 1 2 390.311 2.437 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2Cc3ccc(Br)cc3C2)C1 ZINC000764951205 652816515 /nfs/dbraw/zinc/81/65/15/652816515.db2.gz PPFZMVMSZQFGAW-CQSZACIVSA-N 1 2 375.270 2.472 20 0 GEADLO CC[C@@H]1CN(C(=O)c2[nH]nc3ccc(I)cc32)C[C@H](C)[NH2+]1 ZINC000598530994 652819740 /nfs/dbraw/zinc/81/97/40/652819740.db2.gz CUTPZAIPCWOACD-GXSJLCMTSA-N 1 2 398.248 2.380 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC000598545879 652821294 /nfs/dbraw/zinc/82/12/94/652821294.db2.gz XCHVHIDNYBINMX-UHFFFAOYSA-N 1 2 384.255 2.414 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000636769831 652821842 /nfs/dbraw/zinc/82/18/42/652821842.db2.gz OISAJMWVJLAVGR-QWHCGFSZSA-N 1 2 390.285 2.148 20 0 GEADLO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636769830 652821939 /nfs/dbraw/zinc/82/19/39/652821939.db2.gz OISAJMWVJLAVGR-OLZOCXBDSA-N 1 2 390.285 2.148 20 0 GEADLO C[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)Oc1cccc(Br)c1 ZINC000636864331 652827289 /nfs/dbraw/zinc/82/72/89/652827289.db2.gz LWJBWPSRYJCULA-DGCLKSJQSA-N 1 2 379.258 2.337 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(-c3ccco3)s2)CC1 ZINC000765475456 652840745 /nfs/dbraw/zinc/84/07/45/652840745.db2.gz UPANLQDSLYMGCF-UHFFFAOYSA-N 1 2 382.507 2.247 20 0 GEADLO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637131031 652841229 /nfs/dbraw/zinc/84/12/29/652841229.db2.gz SBROQWBULHBPMI-UKRRQHHQSA-N 1 2 376.258 2.416 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1I ZINC000598950555 652842529 /nfs/dbraw/zinc/84/25/29/652842529.db2.gz RQJSCHZZFWSRTL-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=S)NCc2ccon2)c2ccc(Cl)cc2)C1 ZINC000765520084 652842564 /nfs/dbraw/zinc/84/25/64/652842564.db2.gz KMGUQSSEZZMLRV-HZPDHXFCSA-N 1 2 380.901 2.364 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@H](NC(=S)NCc2ccon2)c2ccc(Cl)cc2)C1 ZINC000765520084 652842569 /nfs/dbraw/zinc/84/25/69/652842569.db2.gz KMGUQSSEZZMLRV-HZPDHXFCSA-N 1 2 380.901 2.364 20 0 GEADLO COC(=O)CCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000599256176 652856127 /nfs/dbraw/zinc/85/61/27/652856127.db2.gz VSBFGKDDXRZYAC-UHFFFAOYSA-N 1 2 392.880 2.129 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000673572136 652870699 /nfs/dbraw/zinc/87/06/99/652870699.db2.gz VBUIZFAYMPFDHV-MNOVXSKESA-N 1 2 389.905 2.020 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000673572136 652870701 /nfs/dbraw/zinc/87/07/01/652870701.db2.gz VBUIZFAYMPFDHV-MNOVXSKESA-N 1 2 389.905 2.020 20 0 GEADLO C[N@H+](Cc1ccc(S(N)(=O)=O)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000637944804 652878223 /nfs/dbraw/zinc/87/82/23/652878223.db2.gz NGWZYBSYBXCBQI-HIFRSBDPSA-N 1 2 391.276 2.324 20 0 GEADLO C[N@@H+](Cc1ccc(S(N)(=O)=O)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000637944804 652878226 /nfs/dbraw/zinc/87/82/26/652878226.db2.gz NGWZYBSYBXCBQI-HIFRSBDPSA-N 1 2 391.276 2.324 20 0 GEADLO COC(=O)[C@@]1([NH2+]CCc2cn[nH]c2)CCc2cc(Br)ccc2C1 ZINC000599595494 652878806 /nfs/dbraw/zinc/87/88/06/652878806.db2.gz VABSQEVPYCUGKA-QGZVFWFLSA-N 1 2 378.270 2.405 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)s1 ZINC000637975080 652879618 /nfs/dbraw/zinc/87/96/18/652879618.db2.gz ZPYCWPFLJHWVGW-UHFFFAOYSA-N 1 2 385.555 2.056 20 0 GEADLO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000637980314 652880172 /nfs/dbraw/zinc/88/01/72/652880172.db2.gz ZXBFUXXUDPDZAL-UHFFFAOYSA-N 1 2 387.933 2.068 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)[C@@H]2CCC[C@H]21 ZINC000599651666 652881826 /nfs/dbraw/zinc/88/18/26/652881826.db2.gz ZTFUORBTNLGFQD-RRFJBIMHSA-N 1 2 386.539 2.162 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)[C@@H]2CCC[C@H]21 ZINC000599651666 652881829 /nfs/dbraw/zinc/88/18/29/652881829.db2.gz ZTFUORBTNLGFQD-RRFJBIMHSA-N 1 2 386.539 2.162 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)s1 ZINC000674333284 652894794 /nfs/dbraw/zinc/89/47/94/652894794.db2.gz UMJTWTBLBFWUPV-LLVKDONJSA-N 1 2 382.511 2.231 20 0 GEADLO O=C(NCCS(=O)(=O)CC1CC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000766846558 652900212 /nfs/dbraw/zinc/90/02/12/652900212.db2.gz PZJSIKJQDBCFQX-HNNXBMFYSA-N 1 2 385.555 2.009 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000766851445 652900901 /nfs/dbraw/zinc/90/09/01/652900901.db2.gz ROWCSRZSMUZRGM-UONOGXRCSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000766851445 652900906 /nfs/dbraw/zinc/90/09/06/652900906.db2.gz ROWCSRZSMUZRGM-UONOGXRCSA-N 1 2 382.917 2.357 20 0 GEADLO CN1C[C@H]([N@H+](C)Cc2ccc(F)cc2I)CCC1=O ZINC000600179021 652906378 /nfs/dbraw/zinc/90/63/78/652906378.db2.gz QXOXBDSYOHVTCG-GFCCVEGCSA-N 1 2 376.213 2.483 20 0 GEADLO CN1C[C@H]([N@@H+](C)Cc2ccc(F)cc2I)CCC1=O ZINC000600179021 652906383 /nfs/dbraw/zinc/90/63/83/652906383.db2.gz QXOXBDSYOHVTCG-GFCCVEGCSA-N 1 2 376.213 2.483 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cccc(I)c2)C1 ZINC000600193351 652907561 /nfs/dbraw/zinc/90/75/61/652907561.db2.gz UWFGFUFCUBALDS-CQSZACIVSA-N 1 2 375.206 2.055 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cccc(I)c2)C1 ZINC000600193351 652907565 /nfs/dbraw/zinc/90/75/65/652907565.db2.gz UWFGFUFCUBALDS-CQSZACIVSA-N 1 2 375.206 2.055 20 0 GEADLO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)c1ccc(Br)cn1 ZINC000639124884 652920950 /nfs/dbraw/zinc/92/09/50/652920950.db2.gz NJHSTEBISJYKMO-QMMMGPOBSA-N 1 2 376.301 2.404 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)o1 ZINC000639147027 652923240 /nfs/dbraw/zinc/92/32/40/652923240.db2.gz OWAIFMORMDWQRT-AWEZNQCLSA-N 1 2 386.271 2.325 20 0 GEADLO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639257230 652929275 /nfs/dbraw/zinc/92/92/75/652929275.db2.gz KREVCNIBONLIFK-CYBMUJFWSA-N 1 2 391.331 2.488 20 0 GEADLO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639257230 652929278 /nfs/dbraw/zinc/92/92/78/652929278.db2.gz KREVCNIBONLIFK-CYBMUJFWSA-N 1 2 391.331 2.488 20 0 GEADLO CS(=O)(=O)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000675509446 652931549 /nfs/dbraw/zinc/93/15/49/652931549.db2.gz RONIGULTPIVLCE-LLVKDONJSA-N 1 2 382.309 2.242 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)COc3ccc(Br)cn3)sc2C1 ZINC000639452073 652936983 /nfs/dbraw/zinc/93/69/83/652936983.db2.gz OSFMGLBJFNNURR-UHFFFAOYSA-N 1 2 383.271 2.306 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)COc3ccc(Br)cn3)sc2C1 ZINC000639452073 652936986 /nfs/dbraw/zinc/93/69/86/652936986.db2.gz OSFMGLBJFNNURR-UHFFFAOYSA-N 1 2 383.271 2.306 20 0 GEADLO CCCN(C)S(=O)(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000675754000 652940049 /nfs/dbraw/zinc/94/00/49/652940049.db2.gz QNBWJCVMLPVXOA-UHFFFAOYSA-N 1 2 379.448 2.410 20 0 GEADLO Cn1[nH]c([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2cc(Cl)cc(Cl)c2)nc1=N ZINC000639625348 652945114 /nfs/dbraw/zinc/94/51/14/652945114.db2.gz TYJKXBFPYAJXTO-OCCSQVGLSA-N 1 2 386.283 2.111 20 0 GEADLO Cn1[nH]c([C@@H]2CCC[N@H+]2C[C@@H](O)COc2cc(Cl)cc(Cl)c2)nc1=N ZINC000639625348 652945118 /nfs/dbraw/zinc/94/51/18/652945118.db2.gz TYJKXBFPYAJXTO-OCCSQVGLSA-N 1 2 386.283 2.111 20 0 GEADLO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000600988052 652947331 /nfs/dbraw/zinc/94/73/31/652947331.db2.gz OZWSNGNJPYJYSY-CYBMUJFWSA-N 1 2 378.274 2.335 20 0 GEADLO C[N@H+]1CCCC[C@@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000600988052 652947336 /nfs/dbraw/zinc/94/73/36/652947336.db2.gz OZWSNGNJPYJYSY-CYBMUJFWSA-N 1 2 378.274 2.335 20 0 GEADLO CN(c1nc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)cs1)C1CC1 ZINC000639776265 652954645 /nfs/dbraw/zinc/95/46/45/652954645.db2.gz PRTRNDJEQBTKEQ-QGZVFWFLSA-N 1 2 382.599 2.381 20 0 GEADLO CN(c1nc(C[N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)cs1)C1CC1 ZINC000639776265 652954648 /nfs/dbraw/zinc/95/46/48/652954648.db2.gz PRTRNDJEQBTKEQ-QGZVFWFLSA-N 1 2 382.599 2.381 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639821116 652957674 /nfs/dbraw/zinc/95/76/74/652957674.db2.gz JYBKTIAQFFVCFL-NSHDSACASA-N 1 2 394.273 2.541 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639821116 652957680 /nfs/dbraw/zinc/95/76/80/652957680.db2.gz JYBKTIAQFFVCFL-NSHDSACASA-N 1 2 394.273 2.541 20 0 GEADLO O[C@H](C[N@@H+]1CCc2ccc(F)c(Br)c2C1)CC1(O)CCOCC1 ZINC000639891018 653087523 /nfs/dbraw/zinc/08/75/23/653087523.db2.gz VXSDHEIZNYMMTP-ZDUSSCGKSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@H](C[N@H+]1CCc2ccc(F)c(Br)c2C1)CC1(O)CCOCC1 ZINC000639891018 653087525 /nfs/dbraw/zinc/08/75/25/653087525.db2.gz VXSDHEIZNYMMTP-ZDUSSCGKSA-N 1 2 388.277 2.239 20 0 GEADLO CSC1(CNS(=O)(=O)c2onc(C3CC3)c2Cl)CC[NH+](C)CC1 ZINC000601415748 653093227 /nfs/dbraw/zinc/09/32/27/653093227.db2.gz JYYWYJBHSRAEJC-UHFFFAOYSA-N 1 2 379.935 2.311 20 0 GEADLO Cc1cc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)c(C)s1 ZINC000676496393 653098498 /nfs/dbraw/zinc/09/84/98/653098498.db2.gz ZMNNUDDBHNIDKK-UHFFFAOYSA-N 1 2 380.539 2.454 20 0 GEADLO CSc1nc2ncnc(Nc3ccn(CC[NH+]4CCOCC4)n3)c2s1 ZINC000771204136 653100499 /nfs/dbraw/zinc/10/04/99/653100499.db2.gz GVYILIMXUCQULL-UHFFFAOYSA-N 1 2 377.499 2.081 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000805471102 653118253 /nfs/dbraw/zinc/11/82/53/653118253.db2.gz ZSXMGCYECGVXMI-OAHLLOKOSA-N 1 2 389.279 2.216 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000805471102 653118260 /nfs/dbraw/zinc/11/82/60/653118260.db2.gz ZSXMGCYECGVXMI-OAHLLOKOSA-N 1 2 389.279 2.216 20 0 GEADLO O=C(C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)N1CCOC[C@@H]1C1CC1 ZINC000678088560 653126319 /nfs/dbraw/zinc/12/63/19/653126319.db2.gz CCJNRVOMJRHQHF-QGZVFWFLSA-N 1 2 387.307 2.425 20 0 GEADLO O=C(C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1)N1CCOC[C@@H]1C1CC1 ZINC000678088560 653126327 /nfs/dbraw/zinc/12/63/27/653126327.db2.gz CCJNRVOMJRHQHF-QGZVFWFLSA-N 1 2 387.307 2.425 20 0 GEADLO COC(=O)C[C@H]1CCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000771862058 653130128 /nfs/dbraw/zinc/13/01/28/653130128.db2.gz JNDBSTXJGSBAOE-QLJPJBMISA-N 1 2 385.873 2.154 20 0 GEADLO COC(=O)C[C@H]1CCC[N@H+]1CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000771862058 653130131 /nfs/dbraw/zinc/13/01/31/653130131.db2.gz JNDBSTXJGSBAOE-QLJPJBMISA-N 1 2 385.873 2.154 20 0 GEADLO Cc1c(C(=O)OCCn2cc[nH+]c2)nnn1-c1cccc(Br)c1 ZINC000771924911 653132109 /nfs/dbraw/zinc/13/21/09/653132109.db2.gz HKAHCNMSYMWZBO-UHFFFAOYSA-N 1 2 376.214 2.392 20 0 GEADLO CS(=O)(=O)c1cc(Br)cc(C(=O)OCCn2cc[nH+]c2)c1F ZINC000771940179 653133273 /nfs/dbraw/zinc/13/32/73/653133273.db2.gz XXNSJHUIOMHTPH-UHFFFAOYSA-N 1 2 391.218 2.045 20 0 GEADLO C[N@H+](CC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl)[C@@H]1CCSC1 ZINC000772050103 653138132 /nfs/dbraw/zinc/13/81/32/653138132.db2.gz UNAGZUUIDFIQEM-SNVBAGLBSA-N 1 2 378.281 2.307 20 0 GEADLO C[N@@H+](CC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl)[C@@H]1CCSC1 ZINC000772050103 653138139 /nfs/dbraw/zinc/13/81/39/653138139.db2.gz UNAGZUUIDFIQEM-SNVBAGLBSA-N 1 2 378.281 2.307 20 0 GEADLO CCC[N@H+](Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)CC(C)(C)O ZINC000769326875 653148934 /nfs/dbraw/zinc/14/89/34/653148934.db2.gz QEGIGOUKASLVAE-ZDUSSCGKSA-N 1 2 377.938 2.187 20 0 GEADLO CCC[N@@H+](Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)CC(C)(C)O ZINC000769326875 653148939 /nfs/dbraw/zinc/14/89/39/653148939.db2.gz QEGIGOUKASLVAE-ZDUSSCGKSA-N 1 2 377.938 2.187 20 0 GEADLO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2cnc(Cl)n2C)CC1 ZINC000769392524 653151474 /nfs/dbraw/zinc/15/14/74/653151474.db2.gz OCGORTWZHUAMGV-UHFFFAOYSA-N 1 2 383.905 2.016 20 0 GEADLO CCOc1ccc(Br)cc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000679852990 653155645 /nfs/dbraw/zinc/15/56/45/653155645.db2.gz WNOXPGCIARRWCC-UHFFFAOYSA-N 1 2 386.271 2.290 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000769481795 653159136 /nfs/dbraw/zinc/15/91/36/653159136.db2.gz VTKSIZMDFXYLQP-QHCPKHFHSA-N 1 2 399.354 2.221 20 0 GEADLO C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O)[N@@H+]1CCc2sccc2C1 ZINC000602236014 653160163 /nfs/dbraw/zinc/16/01/63/653160163.db2.gz OVZAHBZWZGHYKF-PGFQFVBMSA-N 1 2 381.567 2.190 20 0 GEADLO C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O)[N@H+]1CCc2sccc2C1 ZINC000602236014 653160167 /nfs/dbraw/zinc/16/01/67/653160167.db2.gz OVZAHBZWZGHYKF-PGFQFVBMSA-N 1 2 381.567 2.190 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000806344197 653160195 /nfs/dbraw/zinc/16/01/95/653160195.db2.gz XDNVXVBRWYUCDT-CHWSQXEVSA-N 1 2 383.290 2.479 20 0 GEADLO Cc1cnc(Br)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000806435134 653162396 /nfs/dbraw/zinc/16/23/96/653162396.db2.gz FTZLSMGTFNSLFU-OLZOCXBDSA-N 1 2 383.290 2.479 20 0 GEADLO COCC[N@H+](C)Cc1cn(C[C@@H](O)COc2cc(Cl)ccc2Cl)nn1 ZINC000641202725 653169713 /nfs/dbraw/zinc/16/97/13/653169713.db2.gz NVXZRENARDQOJN-CQSZACIVSA-N 1 2 389.283 2.103 20 0 GEADLO COCC[N@@H+](C)Cc1cn(C[C@@H](O)COc2cc(Cl)ccc2Cl)nn1 ZINC000641202725 653169719 /nfs/dbraw/zinc/16/97/19/653169719.db2.gz NVXZRENARDQOJN-CQSZACIVSA-N 1 2 389.283 2.103 20 0 GEADLO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCCc1c[nH+]cn1C ZINC000772941835 653172597 /nfs/dbraw/zinc/17/25/97/653172597.db2.gz PYONTBPWJBVWDT-UHFFFAOYSA-N 1 2 380.857 2.151 20 0 GEADLO COc1ccc(Br)cc1CN(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641254703 653172690 /nfs/dbraw/zinc/17/26/90/653172690.db2.gz SGIXXCUNYLZHOY-UHFFFAOYSA-N 1 2 388.287 2.116 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)C[C@H]2C(C)(C)C2(F)F)C[C@@H](C)O1 ZINC000641294146 653180656 /nfs/dbraw/zinc/18/06/56/653180656.db2.gz GURUBDNNCVINST-KBXIAJHMSA-N 1 2 380.501 2.181 20 0 GEADLO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(I)s2)CC1 ZINC000602481099 653185521 /nfs/dbraw/zinc/18/55/21/653185521.db2.gz BVNISZRNPBSKMN-LBPRGKRZSA-N 1 2 395.262 2.099 20 0 GEADLO COC(=O)[C@@H](O)C1CC[NH+](Cc2cc(OC)c(Br)cc2F)CC1 ZINC000602488377 653186015 /nfs/dbraw/zinc/18/60/15/653186015.db2.gz WGLRWERZMFJEEX-HNNXBMFYSA-N 1 2 390.249 2.343 20 0 GEADLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000602486942 653186108 /nfs/dbraw/zinc/18/61/08/653186108.db2.gz RSDWDXSVAWLHPB-QHCPKHFHSA-N 1 2 386.926 2.357 20 0 GEADLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000602486942 653186112 /nfs/dbraw/zinc/18/61/12/653186112.db2.gz RSDWDXSVAWLHPB-QHCPKHFHSA-N 1 2 386.926 2.357 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]c2cccc(Br)c21 ZINC000807279667 653188311 /nfs/dbraw/zinc/18/83/11/653188311.db2.gz FFYVFFZCOWFKIG-ZDUSSCGKSA-N 1 2 391.225 2.099 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000807281386 653188751 /nfs/dbraw/zinc/18/87/51/653188751.db2.gz SMZLDFITPNVDRM-DOMZBBRYSA-N 1 2 394.269 2.497 20 0 GEADLO Cc1cnc(C[NH2+]C[C@@H](O)COc2ccc(I)cc2)o1 ZINC000602536173 653189002 /nfs/dbraw/zinc/18/90/02/653189002.db2.gz ZZZCOTACBUQMMA-GFCCVEGCSA-N 1 2 388.205 2.117 20 0 GEADLO COC(=O)C[C@H]1CCC[N@@H+]1Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773314028 653192840 /nfs/dbraw/zinc/19/28/40/653192840.db2.gz SUJXOCIOCKGXAS-SECBINFHSA-N 1 2 387.205 2.481 20 0 GEADLO COC(=O)C[C@H]1CCC[N@H+]1Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773314028 653192846 /nfs/dbraw/zinc/19/28/46/653192846.db2.gz SUJXOCIOCKGXAS-SECBINFHSA-N 1 2 387.205 2.481 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C[C@@H](C(F)(F)F)O1 ZINC000641365209 653193049 /nfs/dbraw/zinc/19/30/49/653193049.db2.gz WTLQSRINWDCXDR-ABAIWWIYSA-N 1 2 378.416 2.015 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C[C@@H](C(F)(F)F)O1 ZINC000641365209 653193053 /nfs/dbraw/zinc/19/30/53/653193053.db2.gz WTLQSRINWDCXDR-ABAIWWIYSA-N 1 2 378.416 2.015 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCN(c3cccs3)CC2)C1 ZINC000641378904 653195704 /nfs/dbraw/zinc/19/57/04/653195704.db2.gz UABPKFQABBEZOR-UHFFFAOYSA-N 1 2 377.535 2.247 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCN(c3cccs3)CC2)C1 ZINC000641378904 653195712 /nfs/dbraw/zinc/19/57/12/653195712.db2.gz UABPKFQABBEZOR-UHFFFAOYSA-N 1 2 377.535 2.247 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000641386836 653196713 /nfs/dbraw/zinc/19/67/13/653196713.db2.gz LKFQMDQLBDLUJJ-AWEZNQCLSA-N 1 2 380.539 2.428 20 0 GEADLO COc1nsc(C[NH2+][C@@H](CCSC)C(=O)N(C)C)c1Br ZINC000602665844 653199617 /nfs/dbraw/zinc/19/96/17/653199617.db2.gz WTKHSHJCNCJARO-QMMMGPOBSA-N 1 2 382.349 2.214 20 0 GEADLO C[C@@H]1Cc2ccc(Br)cc2CN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641404103 653200130 /nfs/dbraw/zinc/20/01/30/653200130.db2.gz GDRXTQWUZHYCCB-GFCCVEGCSA-N 1 2 384.299 2.422 20 0 GEADLO O=C(/C=C\c1cc(Br)ccc1F)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000773534026 653204485 /nfs/dbraw/zinc/20/44/85/653204485.db2.gz RLZIOBGUBJDTMT-ZSQCLPQSSA-N 1 2 382.277 2.108 20 0 GEADLO O=C(/C=C\c1cc(Br)ccc1F)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000773534026 653204493 /nfs/dbraw/zinc/20/44/93/653204493.db2.gz RLZIOBGUBJDTMT-ZSQCLPQSSA-N 1 2 382.277 2.108 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000641490609 653212991 /nfs/dbraw/zinc/21/29/91/653212991.db2.gz HHWMSGIYMWPPGB-AWEZNQCLSA-N 1 2 378.281 2.233 20 0 GEADLO COc1cc(/C=C\C(=O)NCCc2c[nH+]cn2C)cc(Br)c1O ZINC000773828752 653214832 /nfs/dbraw/zinc/21/48/32/653214832.db2.gz DXAACJNINBZAJT-ARJAWSKDSA-N 1 2 380.242 2.269 20 0 GEADLO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000773854675 653215252 /nfs/dbraw/zinc/21/52/52/653215252.db2.gz VGHXHGKPQPBMNO-HNNXBMFYSA-N 1 2 390.285 2.375 20 0 GEADLO OCCNc1nc(N2CCn3c(Br)cnc3C2)[nH+]c2ccccc21 ZINC000808048798 653215692 /nfs/dbraw/zinc/21/56/92/653215692.db2.gz KODGOEIJCJFPMD-UHFFFAOYSA-N 1 2 389.257 2.013 20 0 GEADLO O=C(N[C@H](CCO)c1ccccc1Br)[C@H]1CCc2[nH+]ccn2C1 ZINC000682528454 653217390 /nfs/dbraw/zinc/21/73/90/653217390.db2.gz BMRRYRMQCFWHDR-SWLSCSKDSA-N 1 2 378.270 2.448 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[NH+]2CCC3(CCSCC3)CC2)n1 ZINC000602952266 653217471 /nfs/dbraw/zinc/21/74/71/653217471.db2.gz UCXXMLGRJHMGLD-UHFFFAOYSA-N 1 2 383.539 2.406 20 0 GEADLO COC(=O)c1cc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc(Br)c1F ZINC000602990860 653219722 /nfs/dbraw/zinc/21/97/22/653219722.db2.gz HIUVEGHZWUKNEW-VIFPVBQESA-N 1 2 397.204 2.318 20 0 GEADLO COC(=O)c1cccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1Br ZINC000602990987 653219727 /nfs/dbraw/zinc/21/97/27/653219727.db2.gz PGYGJHMTQNJQBB-SECBINFHSA-N 1 2 379.214 2.179 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000641550115 653220655 /nfs/dbraw/zinc/22/06/55/653220655.db2.gz LPFRIBZEBJLXQB-CYBMUJFWSA-N 1 2 378.885 2.495 20 0 GEADLO O=C([C@@H]1CC[N@@H+](Cn2c(=O)oc3cccc(Br)c32)C1)N1CCCC1 ZINC000808206100 653222497 /nfs/dbraw/zinc/22/24/97/653222497.db2.gz AQAKKGAXXNRAQL-GFCCVEGCSA-N 1 2 394.269 2.259 20 0 GEADLO O=C([C@@H]1CC[N@H+](Cn2c(=O)oc3cccc(Br)c32)C1)N1CCCC1 ZINC000808206100 653222506 /nfs/dbraw/zinc/22/25/06/653222506.db2.gz AQAKKGAXXNRAQL-GFCCVEGCSA-N 1 2 394.269 2.259 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000682730001 653222566 /nfs/dbraw/zinc/22/25/66/653222566.db2.gz ZYIVIMUKAYIKQF-VXGBXAGGSA-N 1 2 397.299 2.352 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cn2ccc(-c3ccsc3)n2)C1)C1CC1 ZINC000808224423 653223229 /nfs/dbraw/zinc/22/32/29/653223229.db2.gz CVAYZGZQGJFELI-CQSZACIVSA-N 1 2 380.539 2.363 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cn2ccc(-c3ccsc3)n2)C1)C1CC1 ZINC000808224423 653223232 /nfs/dbraw/zinc/22/32/32/653223232.db2.gz CVAYZGZQGJFELI-CQSZACIVSA-N 1 2 380.539 2.363 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000774291836 653233052 /nfs/dbraw/zinc/23/30/52/653233052.db2.gz RICDHRNMGGAAGP-LLVKDONJSA-N 1 2 392.257 2.220 20 0 GEADLO C[C@@H]1CCOCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000774648643 653246504 /nfs/dbraw/zinc/24/65/04/653246504.db2.gz KNRNPSQKCGRCQQ-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1CCOCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000774648643 653246507 /nfs/dbraw/zinc/24/65/07/653246507.db2.gz KNRNPSQKCGRCQQ-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO O=C([O-])C[NH+]1CCC([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000874050023 653254186 /nfs/dbraw/zinc/25/41/86/653254186.db2.gz NTRREIJLMKIGQL-UHFFFAOYSA-N 1 2 393.285 2.478 20 0 GEADLO CSCC[C@H]([NH2+]Cc1nc2ccccn2c1Br)C(=O)N(C)C ZINC000809785273 653295745 /nfs/dbraw/zinc/29/57/45/653295745.db2.gz UOTOUTGTPFESSA-NSHDSACASA-N 1 2 385.331 2.396 20 0 GEADLO Cc1ccc(Br)cc1CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000685102657 653295952 /nfs/dbraw/zinc/29/59/52/653295952.db2.gz HTGKKEIRUPAXLV-UHFFFAOYSA-N 1 2 393.285 2.119 20 0 GEADLO CO[C@H](CNc1nc(C)[nH+]c(NC[C@H](OC)C(F)(F)F)n1)C(F)(F)F ZINC000775478412 653314793 /nfs/dbraw/zinc/31/47/93/653314793.db2.gz PHGKBBSHIFRNDS-OCAPTIKFSA-N 1 2 377.289 2.158 20 0 GEADLO CO[C@H](CNc1nc(NC[C@H](OC)C(F)(F)F)nc(C)[nH+]1)C(F)(F)F ZINC000775478412 653314804 /nfs/dbraw/zinc/31/48/04/653314804.db2.gz PHGKBBSHIFRNDS-OCAPTIKFSA-N 1 2 377.289 2.158 20 0 GEADLO NS(=O)(=O)c1cc(F)c(NCc2ccn3cc[nH+]c3c2)c(Br)c1 ZINC000685911369 653317304 /nfs/dbraw/zinc/31/73/04/653317304.db2.gz RJVRBSRUTNVFTJ-UHFFFAOYSA-N 1 2 399.245 2.495 20 0 GEADLO Cc1cnc(Br)c(NC(=O)C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000836038624 653326275 /nfs/dbraw/zinc/32/62/75/653326275.db2.gz VKLGPSAZCKFBKC-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCCc2ccccc2Cl)CC1 ZINC000810376070 653337039 /nfs/dbraw/zinc/33/70/39/653337039.db2.gz KEKFAGMZVQALJD-UHFFFAOYSA-N 1 2 386.945 2.288 20 0 GEADLO O=C(CCn1cc(Br)cn1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874896564 653341433 /nfs/dbraw/zinc/34/14/33/653341433.db2.gz NCHWSLNNXLFEID-HNNXBMFYSA-N 1 2 381.249 2.348 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CCSC1)c1ccccc1Cl ZINC000874998792 653346115 /nfs/dbraw/zinc/34/61/15/653346115.db2.gz WDCSAECSTAISKA-BBRMVZONSA-N 1 2 383.945 2.318 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccnc(Cl)c1I ZINC000857980018 653346201 /nfs/dbraw/zinc/34/62/01/653346201.db2.gz IEWVOBBDJPACIV-QMMMGPOBSA-N 1 2 388.596 2.411 20 0 GEADLO O=C(COc1ccc(I)cc1)N[C@H]1CCn2c[nH+]cc21 ZINC000857991465 653346653 /nfs/dbraw/zinc/34/66/53/653346653.db2.gz YOPYIUWIQGYNGM-LBPRGKRZSA-N 1 2 383.189 2.128 20 0 GEADLO C[C@@H](O)C[N@H+](C)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000776521534 653353428 /nfs/dbraw/zinc/35/34/28/653353428.db2.gz RYVHESNUXJAXOL-LLVKDONJSA-N 1 2 396.372 2.398 20 0 GEADLO C[C@@H](O)C[N@@H+](C)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000776521534 653353436 /nfs/dbraw/zinc/35/34/36/653353436.db2.gz RYVHESNUXJAXOL-LLVKDONJSA-N 1 2 396.372 2.398 20 0 GEADLO CS(=O)(=O)c1ccc(/C=C\C(=O)N2CC[NH+](Cc3ccsc3)CC2)o1 ZINC000858191153 653353875 /nfs/dbraw/zinc/35/38/75/653353875.db2.gz VNHGUSAYHNVMMQ-RQOWECAXSA-N 1 2 380.491 2.102 20 0 GEADLO CC(C)[NH+]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 ZINC000858373920 653361264 /nfs/dbraw/zinc/36/12/64/653361264.db2.gz RRDJUYHAKXXHAO-UHFFFAOYSA-N 1 2 379.258 2.076 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)c1ccnc(Cl)c1I ZINC000811588599 653398467 /nfs/dbraw/zinc/39/84/67/653398467.db2.gz PLPBVXOANOYRHQ-UHFFFAOYSA-N 1 2 376.585 2.003 20 0 GEADLO CCNC(=O)C[NH+]1CCN(c2ccc3ccc(Br)cc3n2)CC1 ZINC000811723157 653403386 /nfs/dbraw/zinc/40/33/86/653403386.db2.gz BJZJVLXBOHAASB-UHFFFAOYSA-N 1 2 377.286 2.255 20 0 GEADLO C[C@H](CSC(C)(C)C)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000777705501 653405843 /nfs/dbraw/zinc/40/58/43/653405843.db2.gz RLXCDVNFPRGKSW-CQSZACIVSA-N 1 2 386.587 2.495 20 0 GEADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)C(F)(F)c1ccccc1Br ZINC000837185945 653408727 /nfs/dbraw/zinc/40/87/27/653408727.db2.gz IQAKBWUALVCDMG-LLVKDONJSA-N 1 2 377.229 2.066 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C(F)(F)c1ccccc1Br ZINC000837185945 653408732 /nfs/dbraw/zinc/40/87/32/653408732.db2.gz IQAKBWUALVCDMG-LLVKDONJSA-N 1 2 377.229 2.066 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000859172888 653416692 /nfs/dbraw/zinc/41/66/92/653416692.db2.gz RBERBBOENXJZGJ-PHIMTYICSA-N 1 2 375.878 2.231 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000859172888 653416699 /nfs/dbraw/zinc/41/66/99/653416699.db2.gz RBERBBOENXJZGJ-PHIMTYICSA-N 1 2 375.878 2.231 20 0 GEADLO CC(C)N1C(=O)C(=O)N(C[N@H+](C)CCc2cccc(Br)c2)C1=O ZINC000812301256 653420983 /nfs/dbraw/zinc/42/09/83/653420983.db2.gz FCQATZACZARSAG-UHFFFAOYSA-N 1 2 382.258 2.080 20 0 GEADLO CC(C)N1C(=O)C(=O)N(C[N@@H+](C)CCc2cccc(Br)c2)C1=O ZINC000812301256 653420992 /nfs/dbraw/zinc/42/09/92/653420992.db2.gz FCQATZACZARSAG-UHFFFAOYSA-N 1 2 382.258 2.080 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000812489175 653428474 /nfs/dbraw/zinc/42/84/74/653428474.db2.gz NRMGXGHOYORBLN-CQSZACIVSA-N 1 2 376.766 2.323 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)c1cccc(Br)c1 ZINC000812552489 653435316 /nfs/dbraw/zinc/43/53/16/653435316.db2.gz RBIWKFJGUXDAJC-BXUZGUMPSA-N 1 2 380.242 2.107 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2nccc(C)c2Br)CC1 ZINC000876722817 653444106 /nfs/dbraw/zinc/44/41/06/653444106.db2.gz FQWLKJOBPPZSGW-UHFFFAOYSA-N 1 2 390.347 2.398 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000812829918 653444406 /nfs/dbraw/zinc/44/44/06/653444406.db2.gz SDCRSXORNJXNPG-QFIPXVFZSA-N 1 2 386.315 2.086 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000779027375 653465445 /nfs/dbraw/zinc/46/54/45/653465445.db2.gz RJNXXFBWVAOFKA-QHCPKHFHSA-N 1 2 396.354 2.493 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C2SCCS2)cc1 ZINC000779568163 653498301 /nfs/dbraw/zinc/49/83/01/653498301.db2.gz ZGFYHOASVXOEKK-AWEZNQCLSA-N 1 2 377.491 2.333 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCOc2ccc(Cl)c(Cl)c2)CCO1 ZINC000838112295 653609276 /nfs/dbraw/zinc/60/92/76/653609276.db2.gz JICABFGGUNBFCW-GFCCVEGCSA-N 1 2 376.284 2.392 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCOc2ccc(Cl)c(Cl)c2)CCO1 ZINC000838112295 653609287 /nfs/dbraw/zinc/60/92/87/653609287.db2.gz JICABFGGUNBFCW-GFCCVEGCSA-N 1 2 376.284 2.392 20 0 GEADLO COc1nsc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c1Br ZINC000877554986 653611930 /nfs/dbraw/zinc/61/19/30/653611930.db2.gz QKAVKQPRTJBCOF-VIFPVBQESA-N 1 2 376.276 2.188 20 0 GEADLO COc1nsc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c1Br ZINC000877554986 653611934 /nfs/dbraw/zinc/61/19/34/653611934.db2.gz QKAVKQPRTJBCOF-VIFPVBQESA-N 1 2 376.276 2.188 20 0 GEADLO C[N@@H+](Cc1cn(C[C@H]2CCCO2)nn1)C[C@H](O)c1ccccc1Br ZINC000877577270 653612721 /nfs/dbraw/zinc/61/27/21/653612721.db2.gz VBVCHNYFZJWKGX-PBHICJAKSA-N 1 2 395.301 2.385 20 0 GEADLO C[N@H+](Cc1cn(C[C@H]2CCCO2)nn1)C[C@H](O)c1ccccc1Br ZINC000877577270 653612726 /nfs/dbraw/zinc/61/27/26/653612726.db2.gz VBVCHNYFZJWKGX-PBHICJAKSA-N 1 2 395.301 2.385 20 0 GEADLO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000877943389 653624092 /nfs/dbraw/zinc/62/40/92/653624092.db2.gz GGDFEIASGGIPLD-JONQDZQNSA-N 1 2 382.551 2.357 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ncccc1Br ZINC000877975949 653624973 /nfs/dbraw/zinc/62/49/73/653624973.db2.gz MXMPHGXXSUFNKX-LBPRGKRZSA-N 1 2 376.320 2.138 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ncccc1Br ZINC000877975949 653624976 /nfs/dbraw/zinc/62/49/76/653624976.db2.gz MXMPHGXXSUFNKX-LBPRGKRZSA-N 1 2 376.320 2.138 20 0 GEADLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H](O)c2cc(Br)no2)C[C@@H](C)O1 ZINC000877998352 653625832 /nfs/dbraw/zinc/62/58/32/653625832.db2.gz QQWWBIFICGGKKP-YIYPIFLZSA-N 1 2 388.306 2.044 20 0 GEADLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@@H](O)c2cc(Br)no2)C[C@@H](C)O1 ZINC000877998352 653625835 /nfs/dbraw/zinc/62/58/35/653625835.db2.gz QQWWBIFICGGKKP-YIYPIFLZSA-N 1 2 388.306 2.044 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3C[C@H](S(C)(=O)=O)C3)n2)C1 ZINC000878012543 653626249 /nfs/dbraw/zinc/62/62/49/653626249.db2.gz PKXLJVWCWIYXIH-OBJOEFQTSA-N 1 2 386.543 2.072 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3C[C@H](S(C)(=O)=O)C3)n2)C1 ZINC000878012543 653626254 /nfs/dbraw/zinc/62/62/54/653626254.db2.gz PKXLJVWCWIYXIH-OBJOEFQTSA-N 1 2 386.543 2.072 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c3nonc32)C[C@@H]1n1cc[nH+]c1 ZINC000814387454 653629091 /nfs/dbraw/zinc/62/90/91/653629091.db2.gz YOQCEMDFVFHORL-PWSUYJOCSA-N 1 2 381.845 2.345 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@@H](O)c2cc(Br)no2)CC1 ZINC000878129833 653629478 /nfs/dbraw/zinc/62/94/78/653629478.db2.gz BYRSQULFLSFUND-GXTWGEPZSA-N 1 2 381.274 2.244 20 0 GEADLO Cc1nsc(N2CCC[N@@H+](Cc3csc(-c4ccn(C)n4)n3)CC2)n1 ZINC000878141860 653629980 /nfs/dbraw/zinc/62/99/80/653629980.db2.gz NCPPQENOLUUIOZ-UHFFFAOYSA-N 1 2 375.527 2.416 20 0 GEADLO Cc1nsc(N2CCC[N@H+](Cc3csc(-c4ccn(C)n4)n3)CC2)n1 ZINC000878141860 653629982 /nfs/dbraw/zinc/62/99/82/653629982.db2.gz NCPPQENOLUUIOZ-UHFFFAOYSA-N 1 2 375.527 2.416 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878149658 653630212 /nfs/dbraw/zinc/63/02/12/653630212.db2.gz RTECDZNPBMLADB-MNOVXSKESA-N 1 2 390.278 2.460 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878149658 653630213 /nfs/dbraw/zinc/63/02/13/653630213.db2.gz RTECDZNPBMLADB-MNOVXSKESA-N 1 2 390.278 2.460 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878149657 653630269 /nfs/dbraw/zinc/63/02/69/653630269.db2.gz RTECDZNPBMLADB-GHMZBOCLSA-N 1 2 390.278 2.460 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878149657 653630270 /nfs/dbraw/zinc/63/02/70/653630270.db2.gz RTECDZNPBMLADB-GHMZBOCLSA-N 1 2 390.278 2.460 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000838848045 653631955 /nfs/dbraw/zinc/63/19/55/653631955.db2.gz PKTHZVDNAWGPMT-VWLOTQADSA-N 1 2 390.908 2.021 20 0 GEADLO CS(=O)(=O)CC[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000878297059 653633988 /nfs/dbraw/zinc/63/39/88/653633988.db2.gz UJOGHCBVNKDFFN-AWEZNQCLSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)CC[N@@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000878297059 653633991 /nfs/dbraw/zinc/63/39/91/653633991.db2.gz UJOGHCBVNKDFFN-AWEZNQCLSA-N 1 2 382.309 2.242 20 0 GEADLO COCC[N@H+](CCc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000878310435 653634254 /nfs/dbraw/zinc/63/42/54/653634254.db2.gz ZCCODUQOSUYPAK-AWEZNQCLSA-N 1 2 376.316 2.127 20 0 GEADLO COCC[N@@H+](CCc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000878310435 653634256 /nfs/dbraw/zinc/63/42/56/653634256.db2.gz ZCCODUQOSUYPAK-AWEZNQCLSA-N 1 2 376.316 2.127 20 0 GEADLO C[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1ccc(F)c(Br)c1 ZINC000878363009 653635755 /nfs/dbraw/zinc/63/57/55/653635755.db2.gz OCDQEDJGEJGQIO-SECBINFHSA-N 1 2 380.221 2.180 20 0 GEADLO CN(C)C(=O)CC1CC[NH+](CN2C(=S)N=NC2Cc2cccs2)CC1 ZINC000781144439 653638406 /nfs/dbraw/zinc/63/84/06/653638406.db2.gz LLCPTOUGYCYOCC-UHFFFAOYSA-N 1 2 379.555 2.367 20 0 GEADLO COCc1noc(CN2CC[NH+](CCc3ccccc3Br)CC2)n1 ZINC000878477711 653638623 /nfs/dbraw/zinc/63/86/23/653638623.db2.gz QTVDAIQLJWFPKH-UHFFFAOYSA-N 1 2 395.301 2.339 20 0 GEADLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878599972 653641993 /nfs/dbraw/zinc/64/19/93/653641993.db2.gz AEHIIQRRAZCBAZ-GHMZBOCLSA-N 1 2 376.251 2.071 20 0 GEADLO CCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878599972 653641996 /nfs/dbraw/zinc/64/19/96/653641996.db2.gz AEHIIQRRAZCBAZ-GHMZBOCLSA-N 1 2 376.251 2.071 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878600641 653642158 /nfs/dbraw/zinc/64/21/58/653642158.db2.gz GXNNEXXPLSFQQT-DOMZBBRYSA-N 1 2 381.325 2.383 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878600641 653642159 /nfs/dbraw/zinc/64/21/59/653642159.db2.gz GXNNEXXPLSFQQT-DOMZBBRYSA-N 1 2 381.325 2.383 20 0 GEADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccnc(Br)c2)CC1 ZINC000815008445 653642743 /nfs/dbraw/zinc/64/27/43/653642743.db2.gz WXWJOCAHOYDFFM-OAHLLOKOSA-N 1 2 395.345 2.363 20 0 GEADLO C[N@@H+](Cc1nc2c(c(=O)[nH]1)COCC2)C[C@H](O)c1cccc(Br)c1 ZINC000878709993 653645312 /nfs/dbraw/zinc/64/53/12/653645312.db2.gz YRFXVQLJCJJIHH-HNNXBMFYSA-N 1 2 394.269 2.183 20 0 GEADLO C[N@H+](Cc1nc2c(c(=O)[nH]1)COCC2)C[C@H](O)c1cccc(Br)c1 ZINC000878709993 653645314 /nfs/dbraw/zinc/64/53/14/653645314.db2.gz YRFXVQLJCJJIHH-HNNXBMFYSA-N 1 2 394.269 2.183 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)COCC(F)F)cc2Br)CC1 ZINC000861238605 653650890 /nfs/dbraw/zinc/65/08/90/653650890.db2.gz VIYWMODLDROFFR-UHFFFAOYSA-N 1 2 392.244 2.421 20 0 GEADLO C[C@](O)(C[N@@H+]1C[C@@H]2COC[C@H](C1)O2)c1ccc(Br)cc1Cl ZINC000815111989 653652650 /nfs/dbraw/zinc/65/26/50/653652650.db2.gz JHXPKDWUCVNRJS-ZOWXZIJZSA-N 1 2 376.678 2.410 20 0 GEADLO C[C@](O)(C[N@H+]1C[C@@H]2COC[C@H](C1)O2)c1ccc(Br)cc1Cl ZINC000815111989 653652651 /nfs/dbraw/zinc/65/26/51/653652651.db2.gz JHXPKDWUCVNRJS-ZOWXZIJZSA-N 1 2 376.678 2.410 20 0 GEADLO Cc1cc(NC(=O)C[NH+]2CCC([C@@H](F)C(N)=O)CC2)ccc1Br ZINC000879045638 653656480 /nfs/dbraw/zinc/65/64/80/653656480.db2.gz KZTHZWYRCHGMLF-OAHLLOKOSA-N 1 2 386.265 2.231 20 0 GEADLO O=C(OCCCn1cc[nH+]c1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000782231998 653657331 /nfs/dbraw/zinc/65/73/31/653657331.db2.gz ZRVNAQANKASBIT-UHFFFAOYSA-N 1 2 383.495 2.366 20 0 GEADLO O=C1CCCN1CCC[N@H+]1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000879099873 653658773 /nfs/dbraw/zinc/65/87/73/653658773.db2.gz SQYZGKLRDWZVGQ-UHFFFAOYSA-N 1 2 394.313 2.106 20 0 GEADLO O=C1CCCN1CCC[N@@H+]1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000879099873 653658776 /nfs/dbraw/zinc/65/87/76/653658776.db2.gz SQYZGKLRDWZVGQ-UHFFFAOYSA-N 1 2 394.313 2.106 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(OCCO[NH+]=C(N)Cc2cccs2)cc1 ZINC000782329820 653659485 /nfs/dbraw/zinc/65/94/85/653659485.db2.gz SWORXRBMRVUKLJ-UHFFFAOYSA-N 1 2 383.495 2.118 20 0 GEADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)c1ccc(Br)s1 ZINC000839713686 653661036 /nfs/dbraw/zinc/66/10/36/653661036.db2.gz TUPAZNFOFYWOBR-JTQLQIEISA-N 1 2 380.267 2.483 20 0 GEADLO COC(=O)C1=NO[C@@]2(CC[N@H+](CCOc3ccccc3Br)C2)C1 ZINC000879483942 653670052 /nfs/dbraw/zinc/67/00/52/653670052.db2.gz OCPWCFHBTJOYRI-INIZCTEOSA-N 1 2 383.242 2.222 20 0 GEADLO COC(=O)C1=NO[C@@]2(CC[N@@H+](CCOc3ccccc3Br)C2)C1 ZINC000879483942 653670054 /nfs/dbraw/zinc/67/00/54/653670054.db2.gz OCPWCFHBTJOYRI-INIZCTEOSA-N 1 2 383.242 2.222 20 0 GEADLO COCC[NH+](CCOC)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000839956421 653670414 /nfs/dbraw/zinc/67/04/14/653670414.db2.gz AEWNMOMXMPBRAQ-INIZCTEOSA-N 1 2 385.302 2.317 20 0 GEADLO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861915430 653670729 /nfs/dbraw/zinc/67/07/29/653670729.db2.gz GRCICXIXSQVQLD-ZDUSSCGKSA-N 1 2 393.285 2.466 20 0 GEADLO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861915430 653670732 /nfs/dbraw/zinc/67/07/32/653670732.db2.gz GRCICXIXSQVQLD-ZDUSSCGKSA-N 1 2 393.285 2.466 20 0 GEADLO CO[C@@H]1C[N@H+](CN2CC[C@H](c3cccc(Br)c3)C2=O)C[C@@H]1OC ZINC000840056400 653672811 /nfs/dbraw/zinc/67/28/11/653672811.db2.gz UVTAWAAZGVMHLT-OAGGEKHMSA-N 1 2 383.286 2.068 20 0 GEADLO CO[C@@H]1C[N@@H+](CN2CC[C@H](c3cccc(Br)c3)C2=O)C[C@@H]1OC ZINC000840056400 653672816 /nfs/dbraw/zinc/67/28/16/653672816.db2.gz UVTAWAAZGVMHLT-OAGGEKHMSA-N 1 2 383.286 2.068 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CN3CC[C@H](c4cccc(Br)c4)C3=O)C[C@@H]21 ZINC000840074202 653673693 /nfs/dbraw/zinc/67/36/93/653673693.db2.gz DWOLPHPOIDOWOY-WCVJEAGWSA-N 1 2 393.281 2.073 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@H+](CN3CC[C@H](c4cccc(Br)c4)C3=O)C[C@@H]21 ZINC000840074202 653673697 /nfs/dbraw/zinc/67/36/97/653673697.db2.gz DWOLPHPOIDOWOY-WCVJEAGWSA-N 1 2 393.281 2.073 20 0 GEADLO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cn1cc(I)cn1 ZINC000840115352 653674954 /nfs/dbraw/zinc/67/49/54/653674954.db2.gz KQLCDIULPRGUFM-HZSPNIEDSA-N 1 2 375.254 2.461 20 0 GEADLO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cn1cc(I)cn1 ZINC000840115352 653674956 /nfs/dbraw/zinc/67/49/56/653674956.db2.gz KQLCDIULPRGUFM-HZSPNIEDSA-N 1 2 375.254 2.461 20 0 GEADLO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000840116792 653675174 /nfs/dbraw/zinc/67/51/74/653675174.db2.gz DPQWNPXKRPGYEK-CJNGLKHVSA-N 1 2 389.240 2.424 20 0 GEADLO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000840116792 653675177 /nfs/dbraw/zinc/67/51/77/653675177.db2.gz DPQWNPXKRPGYEK-CJNGLKHVSA-N 1 2 389.240 2.424 20 0 GEADLO COc1ccc(-c2noc(=O)n2CCc2c[nH+]cn2C)cc1Br ZINC000840202962 653679545 /nfs/dbraw/zinc/67/95/45/653679545.db2.gz AOLIZQHRCBTOAZ-UHFFFAOYSA-N 1 2 379.214 2.251 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000783532608 653680275 /nfs/dbraw/zinc/68/02/75/653680275.db2.gz INJAPYDOIXLELX-SNVBAGLBSA-N 1 2 375.252 2.408 20 0 GEADLO Cc1cc(Br)cn2c(C[NH+]3CCC4(CNC(=O)O4)CC3)cnc12 ZINC000783721711 653683024 /nfs/dbraw/zinc/68/30/24/653683024.db2.gz KQUCESAJICOGAE-UHFFFAOYSA-N 1 2 379.258 2.480 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000840353387 653683554 /nfs/dbraw/zinc/68/35/54/653683554.db2.gz ZZMWUSMDJDSOLZ-GJZGRUSLSA-N 1 2 393.285 2.335 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)n1 ZINC000880009021 653691864 /nfs/dbraw/zinc/69/18/64/653691864.db2.gz IOSDJCBLKUJUEX-NSHDSACASA-N 1 2 380.495 2.052 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CC[C@H](c3nc(C)cs3)C2)n1 ZINC000880009021 653691866 /nfs/dbraw/zinc/69/18/66/653691866.db2.gz IOSDJCBLKUJUEX-NSHDSACASA-N 1 2 380.495 2.052 20 0 GEADLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1 ZINC000880014915 653692077 /nfs/dbraw/zinc/69/20/77/653692077.db2.gz TZSVLFHBTZCDJC-JCGIZDLHSA-N 1 2 387.929 2.145 20 0 GEADLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1 ZINC000880014915 653692078 /nfs/dbraw/zinc/69/20/78/653692078.db2.gz TZSVLFHBTZCDJC-JCGIZDLHSA-N 1 2 387.929 2.145 20 0 GEADLO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000880129465 653698664 /nfs/dbraw/zinc/69/86/64/653698664.db2.gz JNUDTCYQFGUEOF-HZPDHXFCSA-N 1 2 387.343 2.391 20 0 GEADLO CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000880129465 653698665 /nfs/dbraw/zinc/69/86/65/653698665.db2.gz JNUDTCYQFGUEOF-HZPDHXFCSA-N 1 2 387.343 2.391 20 0 GEADLO CN1CCC[C@H]2[C@H]1CC[N@@H+]2CCS(=O)(=O)c1cccc(Br)c1 ZINC000880135057 653699029 /nfs/dbraw/zinc/69/90/29/653699029.db2.gz ZFYDAIXFZCCVPY-CVEARBPZSA-N 1 2 387.343 2.391 20 0 GEADLO CN1CCC[C@H]2[C@H]1CC[N@H+]2CCS(=O)(=O)c1cccc(Br)c1 ZINC000880135057 653699032 /nfs/dbraw/zinc/69/90/32/653699032.db2.gz ZFYDAIXFZCCVPY-CVEARBPZSA-N 1 2 387.343 2.391 20 0 GEADLO COc1ccc(CCS(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000784737557 653699153 /nfs/dbraw/zinc/69/91/53/653699153.db2.gz QKOYTTCGFZLGDQ-UHFFFAOYSA-N 1 2 380.535 2.277 20 0 GEADLO COc1ccc(CCS(=O)(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000784737557 653699155 /nfs/dbraw/zinc/69/91/55/653699155.db2.gz QKOYTTCGFZLGDQ-UHFFFAOYSA-N 1 2 380.535 2.277 20 0 GEADLO COC(=O)[C@]12CCC[C@H]1[N@@H+]([C@@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000880183138 653700087 /nfs/dbraw/zinc/70/00/87/653700087.db2.gz MUZBDNIQKTXKQH-CPUCHLNUSA-N 1 2 381.270 2.393 20 0 GEADLO COC(=O)[C@]12CCC[C@H]1[N@H+]([C@@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000880183138 653700089 /nfs/dbraw/zinc/70/00/89/653700089.db2.gz MUZBDNIQKTXKQH-CPUCHLNUSA-N 1 2 381.270 2.393 20 0 GEADLO COC(=O)[C@]12CCC[C@H]1[N@@H+]([C@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000880183139 653700129 /nfs/dbraw/zinc/70/01/29/653700129.db2.gz MUZBDNIQKTXKQH-KEYYUXOJSA-N 1 2 381.270 2.393 20 0 GEADLO COC(=O)[C@]12CCC[C@H]1[N@H+]([C@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000880183139 653700131 /nfs/dbraw/zinc/70/01/31/653700131.db2.gz MUZBDNIQKTXKQH-KEYYUXOJSA-N 1 2 381.270 2.393 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000784915455 653701365 /nfs/dbraw/zinc/70/13/65/653701365.db2.gz VBSHQCAFSNZZML-LBPRGKRZSA-N 1 2 382.254 2.489 20 0 GEADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000880561120 653708080 /nfs/dbraw/zinc/70/80/80/653708080.db2.gz JAGGBBMOQIDNGY-MRXNPFEDSA-N 1 2 381.226 2.214 20 0 GEADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000880561120 653708082 /nfs/dbraw/zinc/70/80/82/653708082.db2.gz JAGGBBMOQIDNGY-MRXNPFEDSA-N 1 2 381.226 2.214 20 0 GEADLO Cc1cc(CNC(=O)C(=O)Nc2cnc(Br)cc2C)cc(C)[nH+]1 ZINC000817391830 653709921 /nfs/dbraw/zinc/70/99/21/653709921.db2.gz FLIZMGIWLZGKQY-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO COC(=O)c1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000785851647 653715909 /nfs/dbraw/zinc/71/59/09/653715909.db2.gz FGKCELRORUVQCB-NSHDSACASA-N 1 2 392.253 2.311 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000880893482 653717134 /nfs/dbraw/zinc/71/71/34/653717134.db2.gz PDCWXTNBUWVQTI-NSHDSACASA-N 1 2 380.247 2.289 20 0 GEADLO O=C(Nc1cnc2ccccc2c1Br)N1CC[NH+](CCO)CC1 ZINC000880942717 653717748 /nfs/dbraw/zinc/71/77/48/653717748.db2.gz KXRCTJDCMZHKDL-UHFFFAOYSA-N 1 2 379.258 2.139 20 0 GEADLO COC(=O)c1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c(Br)c1 ZINC000787318696 653737126 /nfs/dbraw/zinc/73/71/26/653737126.db2.gz IBHQGYIXKSZFGM-ZDUSSCGKSA-N 1 2 392.253 2.311 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1cccnc1Br ZINC000787421433 653738357 /nfs/dbraw/zinc/73/83/57/653738357.db2.gz QGFCIHFXFUFQAC-UHFFFAOYSA-N 1 2 395.261 2.017 20 0 GEADLO O[C@@H](C[NH2+]Cc1nc(C2CC2)no1)COc1cc(F)cc(Br)c1 ZINC000818965854 653739667 /nfs/dbraw/zinc/73/96/67/653739667.db2.gz LGYIURGBDDPBBY-LBPRGKRZSA-N 1 2 386.221 2.378 20 0 GEADLO COc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)on1 ZINC000787669150 653741798 /nfs/dbraw/zinc/74/17/98/653741798.db2.gz KBSYOMFCEKOFNJ-UHFFFAOYSA-N 1 2 395.257 2.450 20 0 GEADLO CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787875282 653745130 /nfs/dbraw/zinc/74/51/30/653745130.db2.gz WEFGPHIHAVYSJH-GFCCVEGCSA-N 1 2 397.317 2.054 20 0 GEADLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864827252 653746167 /nfs/dbraw/zinc/74/61/67/653746167.db2.gz FFCCCSQPTTVURQ-ZIAGYGMSSA-N 1 2 383.235 2.380 20 0 GEADLO Cn1cc(I)c(C[NH2+]C[C@H](O)c2cc(F)ccc2F)n1 ZINC000819354502 653749787 /nfs/dbraw/zinc/74/97/87/653749787.db2.gz HOLTYHXXEBHVOW-ZDUSSCGKSA-N 1 2 393.175 2.126 20 0 GEADLO Cn1c[nH+]c(CCN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)c1 ZINC000842259050 653749901 /nfs/dbraw/zinc/74/99/01/653749901.db2.gz RKUDYRJJGWHRTB-INIZCTEOSA-N 1 2 377.242 2.192 20 0 GEADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000864990536 653750621 /nfs/dbraw/zinc/75/06/21/653750621.db2.gz UQKUSLOTQXFFFR-OAHLLOKOSA-N 1 2 375.226 2.272 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000788152861 653750768 /nfs/dbraw/zinc/75/07/68/653750768.db2.gz CBCOAKLNPIEPEL-SWLSCSKDSA-N 1 2 394.269 2.182 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000788156062 653751026 /nfs/dbraw/zinc/75/10/26/653751026.db2.gz XJVFWCICSTXNKQ-YGRLFVJLSA-N 1 2 386.235 2.315 20 0 GEADLO COc1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cnc1Br ZINC000788214525 653752477 /nfs/dbraw/zinc/75/24/77/653752477.db2.gz RXJLVLDAHRFWDL-AWEZNQCLSA-N 1 2 398.301 2.180 20 0 GEADLO O=c1oc2cc(Br)ccc2n1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000842616300 653760517 /nfs/dbraw/zinc/76/05/17/653760517.db2.gz QOAKGUVMSJSQPZ-GFCCVEGCSA-N 1 2 390.241 2.291 20 0 GEADLO O=c1oc2cc(Br)ccc2n1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000842616300 653760522 /nfs/dbraw/zinc/76/05/22/653760522.db2.gz QOAKGUVMSJSQPZ-GFCCVEGCSA-N 1 2 390.241 2.291 20 0 GEADLO CCCNc1cc(N2CCC(NS(=O)(=O)c3cccs3)CC2)nc[nH+]1 ZINC000865423306 653764844 /nfs/dbraw/zinc/76/48/44/653764844.db2.gz HYHBDWGGXSBUPI-UHFFFAOYSA-N 1 2 381.527 2.307 20 0 GEADLO CCCNc1cc(N2CCC(NS(=O)(=O)c3cccs3)CC2)[nH+]cn1 ZINC000865423306 653764846 /nfs/dbraw/zinc/76/48/46/653764846.db2.gz HYHBDWGGXSBUPI-UHFFFAOYSA-N 1 2 381.527 2.307 20 0 GEADLO Cc1ccnc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c1Br ZINC000865431097 653765170 /nfs/dbraw/zinc/76/51/70/653765170.db2.gz BRGWPBAOCZHGRH-UHFFFAOYSA-N 1 2 398.326 2.362 20 0 GEADLO Cc1ccnc(C[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)c1Br ZINC000865476186 653766407 /nfs/dbraw/zinc/76/64/07/653766407.db2.gz BXBWHVPIPLYMAC-GFCCVEGCSA-N 1 2 378.274 2.171 20 0 GEADLO CCN(OC)C(=O)C[NH2+]Cc1c(F)ccc(I)c1F ZINC000842770039 653766486 /nfs/dbraw/zinc/76/64/86/653766486.db2.gz XDNGXFLZCWZXQE-UHFFFAOYSA-N 1 2 384.164 2.069 20 0 GEADLO Cc1ccnc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1Br ZINC000865482502 653766612 /nfs/dbraw/zinc/76/66/12/653766612.db2.gz YKSXXKBZORMVAP-DGCLKSJQSA-N 1 2 378.274 2.170 20 0 GEADLO OC[C@@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1cccc(Br)c1 ZINC000865496870 653766777 /nfs/dbraw/zinc/76/67/77/653766777.db2.gz WPAWGKFKURAQBT-JKSUJKDBSA-N 1 2 381.274 2.043 20 0 GEADLO Cc1c(Br)cc(C(=O)OCC2CN(c3cccc[nH+]3)C2)c(=O)n1C ZINC000842886053 653771968 /nfs/dbraw/zinc/77/19/68/653771968.db2.gz HBIBGNKOQCLPAY-UHFFFAOYSA-N 1 2 392.253 2.144 20 0 GEADLO Cc1cc(C)c(CNS(=O)(=O)N=[S@@](=O)(c2ccccc2)N(C)C)c[nH+]1 ZINC000882240670 653771938 /nfs/dbraw/zinc/77/19/38/653771938.db2.gz AUTOIXZXKDLLSU-DEOSSOPVSA-N 1 2 382.511 2.037 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2nc(Br)sc2Cl)CC1 ZINC000865686930 653772035 /nfs/dbraw/zinc/77/20/35/653772035.db2.gz JZGSFWBLCNFJSA-UHFFFAOYSA-N 1 2 382.711 2.353 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)OCC2CN(c3cccc[nH+]3)C2)ccc1Cl ZINC000842892170 653772379 /nfs/dbraw/zinc/77/23/79/653772379.db2.gz GDUDCHYXQGNHMV-UHFFFAOYSA-N 1 2 380.853 2.432 20 0 GEADLO COc1nc(Br)ccc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000789373983 653772665 /nfs/dbraw/zinc/77/26/65/653772665.db2.gz SDKLZOBPNDGWCJ-MNOVXSKESA-N 1 2 387.278 2.083 20 0 GEADLO COc1nc(Br)ccc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000789373985 653772734 /nfs/dbraw/zinc/77/27/34/653772734.db2.gz SDKLZOBPNDGWCJ-WDEREUQCSA-N 1 2 387.278 2.083 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cscc1Br ZINC000842964202 653775093 /nfs/dbraw/zinc/77/50/93/653775093.db2.gz KRGKEDYVNWTJNP-GHMZBOCLSA-N 1 2 378.288 2.403 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cscc1Br ZINC000842964202 653775096 /nfs/dbraw/zinc/77/50/96/653775096.db2.gz KRGKEDYVNWTJNP-GHMZBOCLSA-N 1 2 378.288 2.403 20 0 GEADLO CC[N@@H+]1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)[C@H](C)C1 ZINC000882350705 653777347 /nfs/dbraw/zinc/77/73/47/653777347.db2.gz PJUAWNFVPXDJKK-SECBINFHSA-N 1 2 383.212 2.099 20 0 GEADLO CC[N@H+]1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)[C@H](C)C1 ZINC000882350705 653777349 /nfs/dbraw/zinc/77/73/49/653777349.db2.gz PJUAWNFVPXDJKK-SECBINFHSA-N 1 2 383.212 2.099 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC000882350244 653777441 /nfs/dbraw/zinc/77/74/41/653777441.db2.gz JJFFXPJNFJSMKR-UHFFFAOYSA-N 1 2 375.878 2.233 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000882350244 653777442 /nfs/dbraw/zinc/77/74/42/653777442.db2.gz JJFFXPJNFJSMKR-UHFFFAOYSA-N 1 2 375.878 2.233 20 0 GEADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]1c1ccccc1I ZINC000865862444 653777676 /nfs/dbraw/zinc/77/76/76/653777676.db2.gz HKAXTXHZXJPJCG-KBPBESRZSA-N 1 2 397.216 2.411 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000865867812 653777915 /nfs/dbraw/zinc/77/79/15/653777915.db2.gz CMMRYIJAPSXHAO-UHFFFAOYSA-N 1 2 385.131 2.056 20 0 GEADLO CC[NH2+]Cc1noc([C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000843140742 653780377 /nfs/dbraw/zinc/78/03/77/653780377.db2.gz CLURCNDYUNALFC-MRVPVSSYSA-N 1 2 379.214 2.299 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCCc2[nH+]ccn2C)c1 ZINC000789788923 653781453 /nfs/dbraw/zinc/78/14/53/653781453.db2.gz QHVZDPHCZNMKKN-UHFFFAOYSA-N 1 2 385.873 2.113 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+]Cc3nc(Cl)ccc3Br)C2=O)n(C)n1 ZINC000820874414 653785593 /nfs/dbraw/zinc/78/55/93/653785593.db2.gz HPXHOJRHNHHJER-NSHDSACASA-N 1 2 398.692 2.435 20 0 GEADLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(Br)cn3)[nH+]cn2)C1 ZINC000866193443 653788494 /nfs/dbraw/zinc/78/84/94/653788494.db2.gz MHGGSTRECUUVNU-NWDGAFQWSA-N 1 2 378.274 2.453 20 0 GEADLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(Br)cn3)nc[nH+]2)C1 ZINC000866193443 653788496 /nfs/dbraw/zinc/78/84/96/653788496.db2.gz MHGGSTRECUUVNU-NWDGAFQWSA-N 1 2 378.274 2.453 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc(Br)cnc1Br ZINC000821386516 653796784 /nfs/dbraw/zinc/79/67/84/653796784.db2.gz TYVWABYTYKBSRO-MRVPVSSYSA-N 1 2 386.047 2.158 20 0 GEADLO Cn1ncc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1C(F)(F)F ZINC000866469739 653797453 /nfs/dbraw/zinc/79/74/53/653797453.db2.gz WYSXUWIXLZGUTO-JTQLQIEISA-N 1 2 382.433 2.082 20 0 GEADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1csc(S(N)(=O)=O)c1 ZINC000791310370 653808284 /nfs/dbraw/zinc/80/82/84/653808284.db2.gz UUZIWIRUWCXVGM-UHFFFAOYSA-N 1 2 377.447 2.247 20 0 GEADLO COCC[N@H+](CN1CC(c2ccc(Br)cc2)=CC1=O)[C@H]1CCOC1 ZINC000844703087 653814548 /nfs/dbraw/zinc/81/45/48/653814548.db2.gz BQKSKPFOIUSJQM-KRWDZBQOSA-N 1 2 395.297 2.370 20 0 GEADLO COCC[N@@H+](CN1CC(c2ccc(Br)cc2)=CC1=O)[C@H]1CCOC1 ZINC000844703087 653814550 /nfs/dbraw/zinc/81/45/50/653814550.db2.gz BQKSKPFOIUSJQM-KRWDZBQOSA-N 1 2 395.297 2.370 20 0 GEADLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1nc(Br)ccc1F ZINC000791646581 653820194 /nfs/dbraw/zinc/82/01/94/653820194.db2.gz MJBIKHRQLBINIQ-OLZOCXBDSA-N 1 2 386.265 2.356 20 0 GEADLO COC(=O)c1ccoc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000866761963 653820724 /nfs/dbraw/zinc/82/07/24/653820724.db2.gz DIQAHIXLKCSVDB-CQSZACIVSA-N 1 2 384.841 2.055 20 0 GEADLO COC(=O)c1ccoc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000866761962 653820847 /nfs/dbraw/zinc/82/08/47/653820847.db2.gz DIQAHIXLKCSVDB-AWEZNQCLSA-N 1 2 384.841 2.055 20 0 GEADLO C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C1N=NC(=O)N1C ZINC000895183030 653821735 /nfs/dbraw/zinc/82/17/35/653821735.db2.gz GSCFITBFOQUPBB-SECBINFHSA-N 1 2 383.246 2.295 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791754321 653822922 /nfs/dbraw/zinc/82/29/22/653822922.db2.gz KZSTVGMUOYDTSE-QMMMGPOBSA-N 1 2 384.255 2.350 20 0 GEADLO COc1cc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)cc(Br)c1OC(F)F ZINC000895332672 653827781 /nfs/dbraw/zinc/82/77/81/653827781.db2.gz YKUSFYXRYJCEKX-BMIGLBTASA-N 1 2 396.228 2.377 20 0 GEADLO COc1cc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)cc(Br)c1OC(F)F ZINC000895332672 653827783 /nfs/dbraw/zinc/82/77/83/653827783.db2.gz YKUSFYXRYJCEKX-BMIGLBTASA-N 1 2 396.228 2.377 20 0 GEADLO O=C1NCCn2c(C[NH2+][C@H]3CCSc4ccc(Br)cc43)nnc21 ZINC000883303267 653834843 /nfs/dbraw/zinc/83/48/43/653834843.db2.gz TWOIABIMILUPBR-NSHDSACASA-N 1 2 394.298 2.111 20 0 GEADLO CSc1cc(Br)ccc1C[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC000883332672 653835795 /nfs/dbraw/zinc/83/57/95/653835795.db2.gz ACFHTDGVGZXIFM-UHFFFAOYSA-N 1 2 394.298 2.202 20 0 GEADLO Cc1nc(NCc2cn(C(C)(C)C)c(=O)[nH]c2=O)c(Br)c(C)[nH+]1 ZINC000895486028 653837656 /nfs/dbraw/zinc/83/76/56/653837656.db2.gz SHDQCEBPLLBKLO-UHFFFAOYSA-N 1 2 382.262 2.485 20 0 GEADLO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1cnc(Br)cn1 ZINC000895643767 653844605 /nfs/dbraw/zinc/84/46/05/653844605.db2.gz VBQJNQHYJMTBGX-NSHDSACASA-N 1 2 380.242 2.469 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCCn2cc(Br)cn2)cc1 ZINC000822894692 653845289 /nfs/dbraw/zinc/84/52/89/653845289.db2.gz FNBVCUGIXHOSEX-MRXNPFEDSA-N 1 2 393.285 2.045 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCCn2cc(Br)cn2)cc1 ZINC000822894692 653845292 /nfs/dbraw/zinc/84/52/92/653845292.db2.gz FNBVCUGIXHOSEX-MRXNPFEDSA-N 1 2 393.285 2.045 20 0 GEADLO Cn1ncc(Br)c1C[NH2+]Cc1ncc(Br)cc1O ZINC000895738196 653848028 /nfs/dbraw/zinc/84/80/28/653848028.db2.gz HLRYEDQKJSLUKH-UHFFFAOYSA-N 1 2 376.052 2.336 20 0 GEADLO Cc1cn(C(C)(C)C(=O)NCC(=O)Nc2ccc(Br)cc2)c[nH+]1 ZINC000895786982 653850423 /nfs/dbraw/zinc/85/04/23/653850423.db2.gz ILMHGLAPLVWDPA-UHFFFAOYSA-N 1 2 379.258 2.444 20 0 GEADLO COC(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000895849245 653852576 /nfs/dbraw/zinc/85/25/76/653852576.db2.gz VGAUYTRKMNJKIL-HNNXBMFYSA-N 1 2 398.301 2.216 20 0 GEADLO COC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000895849245 653852580 /nfs/dbraw/zinc/85/25/80/653852580.db2.gz VGAUYTRKMNJKIL-HNNXBMFYSA-N 1 2 398.301 2.216 20 0 GEADLO C[C@@H]1C[C@@H](NS(=O)(=O)c2nc[nH]c2Br)C[N@@H+]1Cc1ccccc1 ZINC000866953183 653854172 /nfs/dbraw/zinc/85/41/72/653854172.db2.gz NXOJCOOFXQIPAU-DGCLKSJQSA-N 1 2 399.314 2.114 20 0 GEADLO C[C@@H]1C[C@@H](NS(=O)(=O)c2nc[nH]c2Br)C[N@H+]1Cc1ccccc1 ZINC000866953183 653854173 /nfs/dbraw/zinc/85/41/73/653854173.db2.gz NXOJCOOFXQIPAU-DGCLKSJQSA-N 1 2 399.314 2.114 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)n1 ZINC000823223829 653858506 /nfs/dbraw/zinc/85/85/06/653858506.db2.gz AFWKWSDWPFJHBR-CQSZACIVSA-N 1 2 388.559 2.030 20 0 GEADLO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)cc(F)c2O)ccc1=O ZINC000866976620 653858884 /nfs/dbraw/zinc/85/88/84/653858884.db2.gz VGOACPRNJALAGH-UHFFFAOYSA-N 1 2 398.232 2.269 20 0 GEADLO Brc1cc2ncnc(N3CC[NH+](Cc4cn[nH]c4)CC3)c2s1 ZINC000895959832 653858915 /nfs/dbraw/zinc/85/89/15/653858915.db2.gz JHEBMKKNFQLOFM-UHFFFAOYSA-N 1 2 379.287 2.499 20 0 GEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000823312598 653862287 /nfs/dbraw/zinc/86/22/87/653862287.db2.gz ZPZMWAKXSLMYQP-CYBMUJFWSA-N 1 2 384.889 2.180 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N[C@H]1CCn2c[nH+]cc2C1 ZINC000823628513 653874655 /nfs/dbraw/zinc/87/46/55/653874655.db2.gz VPBZREFGPATSKY-GXFFZTMASA-N 1 2 389.253 2.203 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000793456034 653878717 /nfs/dbraw/zinc/87/87/17/653878717.db2.gz KAJWBDAJRXESDE-JTQLQIEISA-N 1 2 378.514 2.061 20 0 GEADLO CCn1nc(C)c(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)n1 ZINC000824011880 653883753 /nfs/dbraw/zinc/88/37/53/653883753.db2.gz FWMHTEURDLEFCO-UHFFFAOYSA-N 1 2 394.317 2.495 20 0 GEADLO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC000824454949 653895979 /nfs/dbraw/zinc/89/59/79/653895979.db2.gz MAWUGZDBKUPSRP-LBPRGKRZSA-N 1 2 379.258 2.371 20 0 GEADLO O=C1OCCN1C[C@H]1CC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC000824454949 653895983 /nfs/dbraw/zinc/89/59/83/653895983.db2.gz MAWUGZDBKUPSRP-LBPRGKRZSA-N 1 2 379.258 2.371 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000867223820 653897907 /nfs/dbraw/zinc/89/79/07/653897907.db2.gz WGIYIBLBQRILFA-QGZVFWFLSA-N 1 2 387.571 2.241 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000867223820 653897910 /nfs/dbraw/zinc/89/79/10/653897910.db2.gz WGIYIBLBQRILFA-QGZVFWFLSA-N 1 2 387.571 2.241 20 0 GEADLO N=C1NC(=O)C(CC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)S1 ZINC000846481289 653900277 /nfs/dbraw/zinc/90/02/77/653900277.db2.gz ICZRJBDOZCUSJV-AWEZNQCLSA-N 1 2 378.523 2.369 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3ncc(C4OCCO4)s3)C2)s1 ZINC000896971478 653901051 /nfs/dbraw/zinc/90/10/51/653901051.db2.gz UVUUUVQRAWWZQU-JTQLQIEISA-N 1 2 381.479 2.421 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3ncc(C4OCCO4)s3)C2)s1 ZINC000896971478 653901055 /nfs/dbraw/zinc/90/10/55/653901055.db2.gz UVUUUVQRAWWZQU-JTQLQIEISA-N 1 2 381.479 2.421 20 0 GEADLO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC000897052087 653904991 /nfs/dbraw/zinc/90/49/91/653904991.db2.gz HQYCMHLMGCYJQY-SECBINFHSA-N 1 2 390.278 2.180 20 0 GEADLO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC000897052087 653904995 /nfs/dbraw/zinc/90/49/95/653904995.db2.gz HQYCMHLMGCYJQY-SECBINFHSA-N 1 2 390.278 2.180 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000846913898 653912616 /nfs/dbraw/zinc/91/26/16/653912616.db2.gz VUKPBAZPNGHRKZ-HNNXBMFYSA-N 1 2 386.945 2.299 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000846913898 653912618 /nfs/dbraw/zinc/91/26/18/653912618.db2.gz VUKPBAZPNGHRKZ-HNNXBMFYSA-N 1 2 386.945 2.299 20 0 GEADLO Ic1cnn2c1C[N@H+](Cc1cnc(C3CC3)nc1)CC2 ZINC000897289185 653914439 /nfs/dbraw/zinc/91/44/39/653914439.db2.gz KAFLKUHSMGYEDR-UHFFFAOYSA-N 1 2 381.221 2.171 20 0 GEADLO Ic1cnn2c1C[N@@H+](Cc1cnc(C3CC3)nc1)CC2 ZINC000897289185 653914440 /nfs/dbraw/zinc/91/44/40/653914440.db2.gz KAFLKUHSMGYEDR-UHFFFAOYSA-N 1 2 381.221 2.171 20 0 GEADLO O=c1oc2cccc(Br)c2n1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000794630220 653914483 /nfs/dbraw/zinc/91/44/83/653914483.db2.gz DYIXVYWMFHDKLV-LLVKDONJSA-N 1 2 383.242 2.399 20 0 GEADLO O=c1oc2cccc(Br)c2n1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000794630220 653914485 /nfs/dbraw/zinc/91/44/85/653914485.db2.gz DYIXVYWMFHDKLV-LLVKDONJSA-N 1 2 383.242 2.399 20 0 GEADLO O=C(c1cnc(F)c(Br)c1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825099796 653917546 /nfs/dbraw/zinc/91/75/46/653917546.db2.gz IJAAVTPVNBBCLH-UHFFFAOYSA-N 1 2 393.260 2.379 20 0 GEADLO O=C(Cc1[nH]cc[nH+]1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000847116782 653918208 /nfs/dbraw/zinc/91/82/08/653918208.db2.gz QUNUTFHGHLMFRE-UHFFFAOYSA-N 1 2 381.249 2.198 20 0 GEADLO CCn1ncc(C(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)c1Br ZINC000825208748 653921039 /nfs/dbraw/zinc/92/10/39/653921039.db2.gz PVGMMHWQXMTLLK-OAHLLOKOSA-N 1 2 393.285 2.461 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCOc3cccc(Br)c3C2)CCO1 ZINC000847304904 653923954 /nfs/dbraw/zinc/92/39/54/653923954.db2.gz FKOUPYFDMLCBCO-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCOc3cccc(Br)c3C2)CCO1 ZINC000847304904 653923956 /nfs/dbraw/zinc/92/39/56/653923956.db2.gz FKOUPYFDMLCBCO-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1ccnc(Cl)c1F ZINC000825284605 653923883 /nfs/dbraw/zinc/92/38/83/653923883.db2.gz SKMIUXLZINVBIU-UHFFFAOYSA-N 1 2 391.827 2.171 20 0 GEADLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1ccnc(Cl)c1F ZINC000825284605 653923889 /nfs/dbraw/zinc/92/38/89/653923889.db2.gz SKMIUXLZINVBIU-UHFFFAOYSA-N 1 2 391.827 2.171 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3nnc(-c4ccccc4Br)o3)C[C@@H]21 ZINC000794968082 653925490 /nfs/dbraw/zinc/92/54/90/653925490.db2.gz GZGHOXUSBWNFRS-YABSGUDNSA-N 1 2 378.226 2.350 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3nnc(-c4ccccc4Br)o3)C[C@@H]21 ZINC000794968082 653925495 /nfs/dbraw/zinc/92/54/95/653925495.db2.gz GZGHOXUSBWNFRS-YABSGUDNSA-N 1 2 378.226 2.350 20 0 GEADLO O=S(=O)(NCCCn1cc[nH+]c1)C1=Cc2cc(Br)ccc2OC1 ZINC000795052632 653927381 /nfs/dbraw/zinc/92/73/81/653927381.db2.gz PZPNBWVLBJYSGX-UHFFFAOYSA-N 1 2 398.282 2.389 20 0 GEADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1c(Br)nc2n1CCC2 ZINC000825404851 653928291 /nfs/dbraw/zinc/92/82/91/653928291.db2.gz BIWHYOFXTLLQIB-UHFFFAOYSA-N 1 2 375.270 2.337 20 0 GEADLO C[C@@H](NC(=O)c1cnc(Cl)c(Br)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000847447767 653929083 /nfs/dbraw/zinc/92/90/83/653929083.db2.gz UGIMRNCKZNTTQT-NXEZZACHSA-N 1 2 376.682 2.337 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c(C)c1Cl ZINC000867423327 653930730 /nfs/dbraw/zinc/93/07/30/653930730.db2.gz CHWRWCGSHLKYHU-LLVKDONJSA-N 1 2 392.930 2.211 20 0 GEADLO C[C@H](NC(=O)[C@]1(C)CC1(Br)Br)[C@H](C)[NH+]1CCOCC1 ZINC000826572245 653953533 /nfs/dbraw/zinc/95/35/33/653953533.db2.gz OFINADMULCMETB-NHCYSSNCSA-N 1 2 398.139 2.108 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N[C@H]1CCn2c[nH+]cc21 ZINC000825512455 653932079 /nfs/dbraw/zinc/93/20/79/653932079.db2.gz FFPIESZHABGGTI-AAEUAGOBSA-N 1 2 375.226 2.333 20 0 GEADLO Cc1ccc(Br)c2[nH]c(C(=O)N[C@H](CO)c3c[nH+]cn3C)cc21 ZINC000825532443 653932583 /nfs/dbraw/zinc/93/25/83/653932583.db2.gz WBITZLXXWVJSDX-CYBMUJFWSA-N 1 2 377.242 2.436 20 0 GEADLO O=C(C[NH+]1CCN(c2nccc3ccc(Br)cc32)CC1)NC1CC1 ZINC000825534134 653932714 /nfs/dbraw/zinc/93/27/14/653932714.db2.gz GMKMOCANGSUBIF-UHFFFAOYSA-N 1 2 389.297 2.398 20 0 GEADLO C[C@]1(NS(=O)(=O)c2nc[nH]c2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000867466223 653936609 /nfs/dbraw/zinc/93/66/09/653936609.db2.gz LOBQJBQFWXETNM-HNNXBMFYSA-N 1 2 399.314 2.115 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1F ZINC000867487352 653939196 /nfs/dbraw/zinc/93/91/96/653939196.db2.gz IJFCAEGBIRBWBI-KAEOHJDDSA-N 1 2 389.518 2.134 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1F ZINC000867487352 653939199 /nfs/dbraw/zinc/93/91/99/653939199.db2.gz IJFCAEGBIRBWBI-KAEOHJDDSA-N 1 2 389.518 2.134 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1nc(Cl)ccc1Br)N1CCCC1 ZINC000897830250 653939554 /nfs/dbraw/zinc/93/95/54/653939554.db2.gz PMVQFTDIYUWGMA-UHFFFAOYSA-N 1 2 382.711 2.013 20 0 GEADLO Cc1ccc(Br)c(OS(=O)(=O)CCC[NH+]2CCOCC2)c1F ZINC000795239868 653940304 /nfs/dbraw/zinc/94/03/04/653940304.db2.gz ZUQWQSYCNNVLAV-UHFFFAOYSA-N 1 2 396.278 2.328 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000795252402 653941041 /nfs/dbraw/zinc/94/10/41/653941041.db2.gz IUTSCWRXJJAMQI-HNNXBMFYSA-N 1 2 376.316 2.239 20 0 GEADLO Cc1nn(C)c(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)c1Cl ZINC000897977130 653946726 /nfs/dbraw/zinc/94/67/26/653946726.db2.gz BNUMJTIIDYLUPW-JTQLQIEISA-N 1 2 384.665 2.192 20 0 GEADLO COc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1-c1nn[nH]n1 ZINC000826203304 653948212 /nfs/dbraw/zinc/94/82/12/653948212.db2.gz IPQPWEWLVWFUHP-UHFFFAOYSA-N 1 2 381.259 2.384 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)n1 ZINC000898312946 653962373 /nfs/dbraw/zinc/96/23/73/653962373.db2.gz PYLUBNYYUVLVER-WDEREUQCSA-N 1 2 378.420 2.238 20 0 GEADLO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cn1c(=O)oc2cc(Br)ccc21 ZINC000795690091 653963039 /nfs/dbraw/zinc/96/30/39/653963039.db2.gz JLXMXLADHNFCAP-OCCSQVGLSA-N 1 2 396.285 2.110 20 0 GEADLO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cn1c(=O)oc2cc(Br)ccc21 ZINC000795690091 653963041 /nfs/dbraw/zinc/96/30/41/653963041.db2.gz JLXMXLADHNFCAP-OCCSQVGLSA-N 1 2 396.285 2.110 20 0 GEADLO C[C@](O)(C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C(F)F ZINC000885975471 653964695 /nfs/dbraw/zinc/96/46/95/653964695.db2.gz SAVIDRVHPNQDSG-ZDUSSCGKSA-N 1 2 388.889 2.114 20 0 GEADLO C[C@](O)(C[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C(F)F ZINC000885975471 653964699 /nfs/dbraw/zinc/96/46/99/653964699.db2.gz SAVIDRVHPNQDSG-ZDUSSCGKSA-N 1 2 388.889 2.114 20 0 GEADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)cc(F)c1O ZINC000867639798 653966299 /nfs/dbraw/zinc/96/62/99/653966299.db2.gz DJAGWIWBWANYHN-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)cc(F)c1O ZINC000867639798 653966302 /nfs/dbraw/zinc/96/63/02/653966302.db2.gz DJAGWIWBWANYHN-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO C[C@@H](CNC(=O)c1c(Br)nc2n1CCCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848292362 653969037 /nfs/dbraw/zinc/96/90/37/653969037.db2.gz FAIYKRNVAJFZQX-RWMBFGLXSA-N 1 2 399.333 2.209 20 0 GEADLO C[C@@H](CNC(=O)c1c(Br)nc2n1CCCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848292362 653969039 /nfs/dbraw/zinc/96/90/39/653969039.db2.gz FAIYKRNVAJFZQX-RWMBFGLXSA-N 1 2 399.333 2.209 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Br)cc(F)c2O)CC[N@@H+]1CC(C)(C)O ZINC000867654258 653969070 /nfs/dbraw/zinc/96/90/70/653969070.db2.gz IANFEGAVPDGFSL-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Br)cc(F)c2O)CC[N@H+]1CC(C)(C)O ZINC000867654258 653969075 /nfs/dbraw/zinc/96/90/75/653969075.db2.gz IANFEGAVPDGFSL-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)nn1 ZINC000827028227 653971307 /nfs/dbraw/zinc/97/13/07/653971307.db2.gz SUGWEFRGSYEMRC-UHFFFAOYSA-N 1 2 380.279 2.335 20 0 GEADLO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898488875 653973425 /nfs/dbraw/zinc/97/34/25/653973425.db2.gz JSPWOUYFTFSRIS-KBPBESRZSA-N 1 2 377.526 2.183 20 0 GEADLO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898488875 653973429 /nfs/dbraw/zinc/97/34/29/653973429.db2.gz JSPWOUYFTFSRIS-KBPBESRZSA-N 1 2 377.526 2.183 20 0 GEADLO Cc1cnc(Cl)c(S(=O)(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1 ZINC000886397376 653980818 /nfs/dbraw/zinc/98/08/18/653980818.db2.gz GEDJWJABSOLVSK-UHFFFAOYSA-N 1 2 382.873 2.344 20 0 GEADLO CN(C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000827292602 653984983 /nfs/dbraw/zinc/98/49/83/653984983.db2.gz QYMLATKFPSDCPZ-ZDUSSCGKSA-N 1 2 376.400 2.289 20 0 GEADLO CN(C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000827292602 653984985 /nfs/dbraw/zinc/98/49/85/653984985.db2.gz QYMLATKFPSDCPZ-ZDUSSCGKSA-N 1 2 376.400 2.289 20 0 GEADLO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848513382 653985794 /nfs/dbraw/zinc/98/57/94/653985794.db2.gz LOHINUFSJUJRFW-GFCCVEGCSA-N 1 2 394.324 2.264 20 0 GEADLO COc1ccc(Br)c2[nH]c(C(=O)N[C@H](CO)c3c[nH+]cn3C)cc21 ZINC000898884079 653990652 /nfs/dbraw/zinc/99/06/52/653990652.db2.gz OEVZQMPNSXLYKN-GFCCVEGCSA-N 1 2 393.241 2.136 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CSCc1ccc(Br)cc1 ZINC000898891743 653990942 /nfs/dbraw/zinc/99/09/42/653990942.db2.gz KYDHUFQHUWZRIR-CYBMUJFWSA-N 1 2 384.299 2.266 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000898895146 653991384 /nfs/dbraw/zinc/99/13/84/653991384.db2.gz NPCIKFWZHQBVNL-CQSZACIVSA-N 1 2 394.269 2.385 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1(Cc2ccccc2Br)CC1 ZINC000898892692 653991403 /nfs/dbraw/zinc/99/14/03/653991403.db2.gz SVBZLTWKSYHAKT-CQSZACIVSA-N 1 2 378.270 2.355 20 0 GEADLO CC(=O)N[C@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1cccc(Br)c1 ZINC000898911360 653991819 /nfs/dbraw/zinc/99/18/19/653991819.db2.gz PTWDPTBJGASJMP-HNNXBMFYSA-N 1 2 393.285 2.374 20 0 GEADLO O=c1[nH]ccn2c(C[NH2+][C@@H]3CCCOc4ccc(Br)cc43)nnc12 ZINC000886703186 653995298 /nfs/dbraw/zinc/99/52/98/653995298.db2.gz OKDUVDSMHWQYQJ-GFCCVEGCSA-N 1 2 390.241 2.184 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cc2cc(Br)ccc2[nH]1 ZINC000899055494 653997244 /nfs/dbraw/zinc/99/72/44/653997244.db2.gz MYPZFQBZPAPGST-UHFFFAOYSA-N 1 2 394.269 2.109 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cc2cc(Br)ccc2[nH]1 ZINC000899055494 653997246 /nfs/dbraw/zinc/99/72/46/653997246.db2.gz MYPZFQBZPAPGST-UHFFFAOYSA-N 1 2 394.269 2.109 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)COc2ccc(Br)cn2)C1 ZINC000867844316 653997558 /nfs/dbraw/zinc/99/75/58/653997558.db2.gz YWVVUDMMRVYFOC-LBPRGKRZSA-N 1 2 379.258 2.363 20 0 GEADLO COc1ncc(Br)cc1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000899135785 654000981 /nfs/dbraw/zinc/00/09/81/654000981.db2.gz JYZZOAQHQOEUJI-AWEZNQCLSA-N 1 2 394.273 2.273 20 0 GEADLO COc1ncc(Br)cc1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000899135785 654000985 /nfs/dbraw/zinc/00/09/85/654000985.db2.gz JYZZOAQHQOEUJI-AWEZNQCLSA-N 1 2 394.273 2.273 20 0 GEADLO CC(C)n1ncc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000867904432 654005882 /nfs/dbraw/zinc/00/58/82/654005882.db2.gz QMGAHADZPKRURP-BETUJISGSA-N 1 2 387.322 2.408 20 0 GEADLO CC(C)n1ncc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000867904432 654005887 /nfs/dbraw/zinc/00/58/87/654005887.db2.gz QMGAHADZPKRURP-BETUJISGSA-N 1 2 387.322 2.408 20 0 GEADLO COc1nc(N2CC[NH+](CCC(=O)CC(C)C)CC2)ncc1Br ZINC000827979724 654014900 /nfs/dbraw/zinc/01/49/00/654014900.db2.gz DMTWMIKVJVQIFF-UHFFFAOYSA-N 1 2 385.306 2.375 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)NCc1nc2cc(Br)ccc2o1 ZINC000868373973 654032782 /nfs/dbraw/zinc/03/27/82/654032782.db2.gz XITKDCAWZKPKES-OWOJBTEDSA-N 1 2 380.242 2.095 20 0 GEADLO C[C@@H](CNC(=O)c1csc(I)n1)Cn1cc[nH+]c1 ZINC000828404720 654035281 /nfs/dbraw/zinc/03/52/81/654035281.db2.gz SJSJZBZMYXLSRN-QMMMGPOBSA-N 1 2 376.223 2.010 20 0 GEADLO Cn1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c(Br)n1 ZINC000887721793 654046459 /nfs/dbraw/zinc/04/64/59/654046459.db2.gz BODGVBHBZXEELW-UHFFFAOYSA-N 1 2 393.285 2.019 20 0 GEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1ccsc1Cl ZINC000849769637 654055729 /nfs/dbraw/zinc/05/57/29/654055729.db2.gz LRFYCZHAAYJFJD-AWEZNQCLSA-N 1 2 386.901 2.158 20 0 GEADLO COc1cc(I)ccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000868838958 654058492 /nfs/dbraw/zinc/05/84/92/654058492.db2.gz UYORYINIWIYCJZ-UHFFFAOYSA-N 1 2 385.205 2.006 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2c(Br)cnn2C)C1 ZINC000868878053 654060408 /nfs/dbraw/zinc/06/04/08/654060408.db2.gz ZLSZPXUJZCEGQS-LLVKDONJSA-N 1 2 381.278 2.005 20 0 GEADLO CC(C)n1ncc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000869190309 654075808 /nfs/dbraw/zinc/07/58/08/654075808.db2.gz PQPLVGYURWWZIT-UPJWGTAASA-N 1 2 387.322 2.454 20 0 GEADLO CC(C)n1ncc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000869190309 654075811 /nfs/dbraw/zinc/07/58/11/654075811.db2.gz PQPLVGYURWWZIT-UPJWGTAASA-N 1 2 387.322 2.454 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(SC(F)(F)F)c1 ZINC000829806928 654080888 /nfs/dbraw/zinc/08/08/88/654080888.db2.gz UWAIPDYRVIKJJC-ZDUSSCGKSA-N 1 2 378.416 2.064 20 0 GEADLO CCOC(=O)C1([S@@](C)=O)CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000830543960 654125204 /nfs/dbraw/zinc/12/52/04/654125204.db2.gz AZUNXLQPKJUCCS-SGANQWHYSA-N 1 2 391.892 2.289 20 0 GEADLO Cn1nc(C(F)(F)F)c(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1Cl ZINC000889188734 654127524 /nfs/dbraw/zinc/12/75/24/654127524.db2.gz RVDHKTPYVOTNQQ-UHFFFAOYSA-N 1 2 383.802 2.325 20 0 GEADLO Cn1nc(C(F)(F)F)c(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1Cl ZINC000889206923 654131397 /nfs/dbraw/zinc/13/13/97/654131397.db2.gz NCMDGYFOMDZEPK-DTORHVGOSA-N 1 2 381.786 2.077 20 0 GEADLO Cn1nc(C(F)(F)F)c(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1Cl ZINC000889206923 654131401 /nfs/dbraw/zinc/13/14/01/654131401.db2.gz NCMDGYFOMDZEPK-DTORHVGOSA-N 1 2 381.786 2.077 20 0 GEADLO CC(C)n1ncc(C(=O)OCc2cc[nH+]c(N)c2)c1I ZINC000869978990 654135747 /nfs/dbraw/zinc/13/57/47/654135747.db2.gz HZCJHSMFJPJZCI-UHFFFAOYSA-N 1 2 386.193 2.403 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)Cc2cccc(I)c2)CCO1 ZINC000800182730 654135752 /nfs/dbraw/zinc/13/57/52/654135752.db2.gz KSXAHXVYWDSNKW-LBPRGKRZSA-N 1 2 389.233 2.098 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)Cc2cccc(I)c2)CCO1 ZINC000800182730 654135758 /nfs/dbraw/zinc/13/57/58/654135758.db2.gz KSXAHXVYWDSNKW-LBPRGKRZSA-N 1 2 389.233 2.098 20 0 GEADLO C[NH+]1CCC(Oc2ccc(Cl)cc2NS(=O)(=O)N=S(C)(C)=O)CC1 ZINC000901681810 654139725 /nfs/dbraw/zinc/13/97/25/654139725.db2.gz LPXQZHJQYCKRCS-UHFFFAOYSA-N 1 2 395.934 2.197 20 0 GEADLO O=C(CSCc1cccc(Cl)c1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870075824 654142502 /nfs/dbraw/zinc/14/25/02/654142502.db2.gz VATYFEUCEGUWIM-KRWDZBQOSA-N 1 2 384.929 2.133 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)c1cn(-c2ccccc2Br)nn1 ZINC000918382575 654150285 /nfs/dbraw/zinc/15/02/85/654150285.db2.gz JQIYEHPXGVZYCF-UHFFFAOYSA-N 1 2 389.257 2.437 20 0 GEADLO O=C(C=CC[NH+]1CCOCC1)Nc1nc2cc(F)c(Br)cc2[nH]1 ZINC000889648027 654155715 /nfs/dbraw/zinc/15/57/15/654155715.db2.gz LAXFMTLFHWHLFL-OWOJBTEDSA-N 1 2 383.221 2.291 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831010814 654155877 /nfs/dbraw/zinc/15/58/77/654155877.db2.gz ZEAYWNZEDGKMTL-DTWKUNHWSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831010814 654155882 /nfs/dbraw/zinc/15/58/82/654155882.db2.gz ZEAYWNZEDGKMTL-DTWKUNHWSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H](C(=O)Nc1nc2cc(Br)c(F)cc2[nH]1)N1CC[NH+](C)CC1 ZINC000889648557 654156375 /nfs/dbraw/zinc/15/63/75/654156375.db2.gz YCNMCYVENNTNNP-VIFPVBQESA-N 1 2 384.253 2.039 20 0 GEADLO CC(C)n1ncc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c1I ZINC000870330992 654163560 /nfs/dbraw/zinc/16/35/60/654163560.db2.gz QSJOIPLFPUWWEE-SNVBAGLBSA-N 1 2 395.216 2.269 20 0 GEADLO CC(C)n1ncc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c1I ZINC000870330992 654163563 /nfs/dbraw/zinc/16/35/63/654163563.db2.gz QSJOIPLFPUWWEE-SNVBAGLBSA-N 1 2 395.216 2.269 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)c2ncccc2Br)C[C@@H]1C(C)(C)C ZINC000919604550 654186900 /nfs/dbraw/zinc/18/69/00/654186900.db2.gz XOFXYXFQAGBLGL-GFCCVEGCSA-N 1 2 376.320 2.195 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)c2ncccc2Br)C[C@@H]1C(C)(C)C ZINC000919604550 654186905 /nfs/dbraw/zinc/18/69/05/654186905.db2.gz XOFXYXFQAGBLGL-GFCCVEGCSA-N 1 2 376.320 2.195 20 0 GEADLO Cc1cc(Br)cc2c1CN(C(=O)c1n[nH]c3c1C[NH2+]CC3)CC2 ZINC000831511656 654188887 /nfs/dbraw/zinc/18/88/87/654188887.db2.gz RBZUVHRODYYHRS-UHFFFAOYSA-N 1 2 375.270 2.325 20 0 GEADLO CCCn1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)nn1 ZINC000902987672 654207590 /nfs/dbraw/zinc/20/75/90/654207590.db2.gz JQWZMOVHGJFROT-CYBMUJFWSA-N 1 2 385.921 2.279 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)CC1 ZINC000903005688 654208827 /nfs/dbraw/zinc/20/88/27/654208827.db2.gz ZUNSQHRHZLMKMG-ZDUSSCGKSA-N 1 2 385.555 2.139 20 0 GEADLO CC(C)(C)SCC[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000801930683 654212697 /nfs/dbraw/zinc/21/26/97/654212697.db2.gz VBJVQPJFKBLFAD-UHFFFAOYSA-N 1 2 382.555 2.401 20 0 GEADLO O=C(OCCn1cc[nH+]c1)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000802227397 654222792 /nfs/dbraw/zinc/22/27/92/654222792.db2.gz BXXVZYYUWRVOMD-UHFFFAOYSA-N 1 2 397.503 2.342 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@@H+](Cc1cccc(Cl)c1F)C[C@@H](O)CO ZINC000852180784 654223938 /nfs/dbraw/zinc/22/39/38/654223938.db2.gz YREBWOPWJLFQNU-CYBMUJFWSA-N 1 2 376.856 2.159 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@H+](Cc1cccc(Cl)c1F)C[C@@H](O)CO ZINC000852180784 654223945 /nfs/dbraw/zinc/22/39/45/654223945.db2.gz YREBWOPWJLFQNU-CYBMUJFWSA-N 1 2 376.856 2.159 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852190716 654224686 /nfs/dbraw/zinc/22/46/86/654224686.db2.gz FEYPOPCLBMASSJ-NHYWBVRUSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852190716 654224691 /nfs/dbraw/zinc/22/46/91/654224691.db2.gz FEYPOPCLBMASSJ-NHYWBVRUSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@]12CC[N@H+](CC(=O)NCC3CC3)C[C@H]1C2(Br)Br ZINC000852335419 654233050 /nfs/dbraw/zinc/23/30/50/654233050.db2.gz FXWGYADEZIQQJS-PWSUYJOCSA-N 1 2 380.124 2.341 20 0 GEADLO C[C@]12CC[N@@H+](CC(=O)NCC3CC3)C[C@H]1C2(Br)Br ZINC000852335419 654233055 /nfs/dbraw/zinc/23/30/55/654233055.db2.gz FXWGYADEZIQQJS-PWSUYJOCSA-N 1 2 380.124 2.341 20 0 GEADLO CN(CCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000852340419 654234099 /nfs/dbraw/zinc/23/40/99/654234099.db2.gz GOSRPKKVBVBJND-RYUDHWBXSA-N 1 2 388.452 2.151 20 0 GEADLO CN(CCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000852340419 654234104 /nfs/dbraw/zinc/23/41/04/654234104.db2.gz GOSRPKKVBVBJND-RYUDHWBXSA-N 1 2 388.452 2.151 20 0 GEADLO COC(=O)c1coc([C@H](C)[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000903324076 654234345 /nfs/dbraw/zinc/23/43/45/654234345.db2.gz GVGDBNZTPIULSZ-UFBFGSQYSA-N 1 2 394.225 2.438 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccccc2OC(F)F)n1 ZINC000921104201 654236293 /nfs/dbraw/zinc/23/62/93/654236293.db2.gz IPBGDWUZPCAKDA-UHFFFAOYSA-N 1 2 377.438 2.285 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2ncccc2Br)CC1 ZINC000871543626 654241834 /nfs/dbraw/zinc/24/18/34/654241834.db2.gz PWQNDLSZIFJEDV-UHFFFAOYSA-N 1 2 398.301 2.380 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2ccc(Br)cn2)CC1 ZINC000871541970 654242093 /nfs/dbraw/zinc/24/20/93/654242093.db2.gz RQPWGSLRIZXVPK-UHFFFAOYSA-N 1 2 398.301 2.380 20 0 GEADLO Cn1cc[nH+]c1CCCOC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000802783448 654242083 /nfs/dbraw/zinc/24/20/83/654242083.db2.gz SGNSMZHTXMYFJM-UHFFFAOYSA-N 1 2 383.495 2.056 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@H+](C[C@@H](O)c1cc3ccccc3o1)C2 ZINC000852733504 654256872 /nfs/dbraw/zinc/25/68/72/654256872.db2.gz QGYFJRDCWHBNOU-CYBMUJFWSA-N 1 2 378.475 2.233 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@@H+](C[C@@H](O)c1cc3ccccc3o1)C2 ZINC000852733504 654256874 /nfs/dbraw/zinc/25/68/74/654256874.db2.gz QGYFJRDCWHBNOU-CYBMUJFWSA-N 1 2 378.475 2.233 20 0 GEADLO CC(C)CC[N@@H+]1Cc2cccc(NS(=O)(=O)N=[S@](C)(=O)N(C)C)c2C1 ZINC000903619656 654268724 /nfs/dbraw/zinc/26/87/24/654268724.db2.gz KVQZROGHQNSHPU-DEOSSOPVSA-N 1 2 388.559 2.279 20 0 GEADLO CC(C)CC[N@H+]1Cc2cccc(NS(=O)(=O)N=[S@](C)(=O)N(C)C)c2C1 ZINC000903619656 654268726 /nfs/dbraw/zinc/26/87/26/654268726.db2.gz KVQZROGHQNSHPU-DEOSSOPVSA-N 1 2 388.559 2.279 20 0 GEADLO C[C@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1(Br)Br ZINC000832518074 654271208 /nfs/dbraw/zinc/27/12/08/654271208.db2.gz VVZXARDZIWHKEL-LDYMZIIASA-N 1 2 377.080 2.210 20 0 GEADLO CC[NH+]1CCC(NC(=O)c2ccc(S(C)(=O)=O)s2)(C(F)(F)F)CC1 ZINC000891212037 654271865 /nfs/dbraw/zinc/27/18/65/654271865.db2.gz NNIBTJQQMUSMIW-UHFFFAOYSA-N 1 2 384.445 2.298 20 0 GEADLO c1ccc(C[N@@H+]2CCO[C@@H](c3nnn(CCC4SCCS4)n3)C2)cc1 ZINC000853017050 654272238 /nfs/dbraw/zinc/27/22/38/654272238.db2.gz AKJWUEYUGUGYEG-OAHLLOKOSA-N 1 2 377.539 2.443 20 0 GEADLO c1ccc(C[N@H+]2CCO[C@@H](c3nnn(CCC4SCCS4)n3)C2)cc1 ZINC000853017050 654272242 /nfs/dbraw/zinc/27/22/42/654272242.db2.gz AKJWUEYUGUGYEG-OAHLLOKOSA-N 1 2 377.539 2.443 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)NCC1(n2cc(Br)cn2)CC1 ZINC000921488166 654273905 /nfs/dbraw/zinc/27/39/05/654273905.db2.gz KQDDILXDHALYNF-UHFFFAOYSA-N 1 2 389.257 2.282 20 0 GEADLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000871936008 654284767 /nfs/dbraw/zinc/28/47/67/654284767.db2.gz XGCLHBRGHITQNU-CVGRLMLNSA-N 1 2 385.913 2.370 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000832673215 654286339 /nfs/dbraw/zinc/28/63/39/654286339.db2.gz PPPJSBXIFGQALF-AWEZNQCLSA-N 1 2 381.274 2.393 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000832673215 654286341 /nfs/dbraw/zinc/28/63/41/654286341.db2.gz PPPJSBXIFGQALF-AWEZNQCLSA-N 1 2 381.274 2.393 20 0 GEADLO C[N@H+](C[C@@H](O)c1ccccc1Br)CC1(CS(C)(=O)=O)CC1 ZINC000832680999 654287120 /nfs/dbraw/zinc/28/71/20/654287120.db2.gz YRADFISBWQSARW-CQSZACIVSA-N 1 2 376.316 2.239 20 0 GEADLO C[N@@H+](C[C@@H](O)c1ccccc1Br)CC1(CS(C)(=O)=O)CC1 ZINC000832680999 654287125 /nfs/dbraw/zinc/28/71/25/654287125.db2.gz YRADFISBWQSARW-CQSZACIVSA-N 1 2 376.316 2.239 20 0 GEADLO C[N@@H+](CC(=O)NCc1ccccn1)C[C@@H](O)c1ccccc1Br ZINC000832680810 654287319 /nfs/dbraw/zinc/28/73/19/654287319.db2.gz WYJWWANHWDEYIU-MRXNPFEDSA-N 1 2 378.270 2.126 20 0 GEADLO C[N@H+](CC(=O)NCc1ccccn1)C[C@@H](O)c1ccccc1Br ZINC000832680810 654287322 /nfs/dbraw/zinc/28/73/22/654287322.db2.gz WYJWWANHWDEYIU-MRXNPFEDSA-N 1 2 378.270 2.126 20 0 GEADLO C[N@H+](C[C@H](O)c1ccccc1Br)CC1(CS(C)(=O)=O)CC1 ZINC000832680998 654287357 /nfs/dbraw/zinc/28/73/57/654287357.db2.gz YRADFISBWQSARW-AWEZNQCLSA-N 1 2 376.316 2.239 20 0 GEADLO C[N@@H+](C[C@H](O)c1ccccc1Br)CC1(CS(C)(=O)=O)CC1 ZINC000832680998 654287363 /nfs/dbraw/zinc/28/73/63/654287363.db2.gz YRADFISBWQSARW-AWEZNQCLSA-N 1 2 376.316 2.239 20 0 GEADLO CCc1nn(CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)c(=S)s1 ZINC000853490487 654299153 /nfs/dbraw/zinc/29/91/53/654299153.db2.gz VNCNUVXEKDJQGQ-AWEZNQCLSA-N 1 2 383.587 2.213 20 0 GEADLO Brc1cnn(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000853531724 654301335 /nfs/dbraw/zinc/30/13/35/654301335.db2.gz IKUKBRZSBTUVHM-SJORKVTESA-N 1 2 377.286 2.188 20 0 GEADLO Brc1cnn(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000853531724 654301340 /nfs/dbraw/zinc/30/13/40/654301340.db2.gz IKUKBRZSBTUVHM-SJORKVTESA-N 1 2 377.286 2.188 20 0 GEADLO CC(C)(O)C[NH+]1CCN(c2cc(Br)cnc2Br)CC1 ZINC000804415182 654308754 /nfs/dbraw/zinc/30/87/54/654308754.db2.gz DNNZRKXADMINPG-UHFFFAOYSA-N 1 2 393.123 2.500 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1ccc(Br)cc1F ZINC000853718280 654317483 /nfs/dbraw/zinc/31/74/83/654317483.db2.gz DDUZJBMXGSWASF-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1ccc(Br)cc1F ZINC000853718280 654317491 /nfs/dbraw/zinc/31/74/91/654317491.db2.gz DDUZJBMXGSWASF-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO O=S1(=O)N=C(Cl)c2ccc(N3CCC[C@H]([NH+]4CCOCC4)CC3)cc21 ZINC000853719606 654317656 /nfs/dbraw/zinc/31/76/56/654317656.db2.gz OALYMTYHRIDHGS-ZDUSSCGKSA-N 1 2 383.901 2.065 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(Br)cc2F)[C@@H](C)CO1 ZINC000853718282 654317777 /nfs/dbraw/zinc/31/77/77/654317777.db2.gz DDUZJBMXGSWASF-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(Br)cc2F)[C@@H](C)CO1 ZINC000853718282 654317779 /nfs/dbraw/zinc/31/77/79/654317779.db2.gz DDUZJBMXGSWASF-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO OC[C@@]1([NH2+]Cc2nc(Br)c[nH]2)CCCN(Cc2ccccc2)C1 ZINC000921750209 654318123 /nfs/dbraw/zinc/31/81/23/654318123.db2.gz OYONWUHLMMLANW-QGZVFWFLSA-N 1 2 379.302 2.289 20 0 GEADLO OC[C@]1([NH2+]Cc2nc(Br)c[nH]2)CCCN(Cc2ccccc2)C1 ZINC000921750207 654318182 /nfs/dbraw/zinc/31/81/82/654318182.db2.gz OYONWUHLMMLANW-KRWDZBQOSA-N 1 2 379.302 2.289 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cnc(Br)s3)cc2C1 ZINC000904946259 654325666 /nfs/dbraw/zinc/32/56/66/654325666.db2.gz APBLDFFXMCTSRX-UHFFFAOYSA-N 1 2 395.282 2.001 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cnc(Br)s3)cc2C1 ZINC000904946259 654325669 /nfs/dbraw/zinc/32/56/69/654325669.db2.gz APBLDFFXMCTSRX-UHFFFAOYSA-N 1 2 395.282 2.001 20 0 GEADLO Cc1nc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c(Br)n1C ZINC000804938525 654326194 /nfs/dbraw/zinc/32/61/94/654326194.db2.gz MZWPMFBVVCIDIG-UHFFFAOYSA-N 1 2 397.254 2.444 20 0 GEADLO O=C1[C@H]([NH2+]Cc2nc(Br)c[nH]2)CCN1CCCc1ccccc1 ZINC000921815989 654326858 /nfs/dbraw/zinc/32/68/58/654326858.db2.gz OVAACEYXVCRFRI-CQSZACIVSA-N 1 2 377.286 2.496 20 0 GEADLO CCn1c(C[NH2+]CCc2n[nH]c(C)n2)nc(Br)c1Br ZINC000921956927 654347147 /nfs/dbraw/zinc/34/71/47/654347147.db2.gz NOCNJKMHBWJUGR-UHFFFAOYSA-N 1 2 392.099 2.187 20 0 GEADLO CCn1c(C[NH2+]CCc2nnc(C)[nH]2)nc(Br)c1Br ZINC000921956927 654347152 /nfs/dbraw/zinc/34/71/52/654347152.db2.gz NOCNJKMHBWJUGR-UHFFFAOYSA-N 1 2 392.099 2.187 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892237562 654335585 /nfs/dbraw/zinc/33/55/85/654335585.db2.gz KYDNAYZPFAKYTA-NSHDSACASA-N 1 2 375.516 2.219 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892237562 654335587 /nfs/dbraw/zinc/33/55/87/654335587.db2.gz KYDNAYZPFAKYTA-NSHDSACASA-N 1 2 375.516 2.219 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3nc(Br)cs3)C2=O)n(C)n1 ZINC000834672003 654342000 /nfs/dbraw/zinc/34/20/00/654342000.db2.gz AJRCDSLCXDYTRS-NXEZZACHSA-N 1 2 384.303 2.404 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3COC[C@@H]3C)[nH+]c12 ZINC000921938459 654345169 /nfs/dbraw/zinc/34/51/69/654345169.db2.gz FVXSXALMQDBGIQ-FZMZJTMJSA-N 1 2 381.274 2.282 20 0 GEADLO COCCn1cnn(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1=S ZINC000835012703 654356825 /nfs/dbraw/zinc/35/68/25/654356825.db2.gz YZFQQYMNQGEXOW-UHFFFAOYSA-N 1 2 381.933 2.489 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)s1 ZINC000922025754 654356935 /nfs/dbraw/zinc/35/69/35/654356935.db2.gz JWMOCEVOLAACFA-DZGCQCFKSA-N 1 2 387.571 2.296 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)s1 ZINC000922025754 654356938 /nfs/dbraw/zinc/35/69/38/654356938.db2.gz JWMOCEVOLAACFA-DZGCQCFKSA-N 1 2 387.571 2.296 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cnn(C(C)(C)C)c1Br ZINC000854425225 654360287 /nfs/dbraw/zinc/36/02/87/654360287.db2.gz ZKRYHFIGTMEMCT-OLZOCXBDSA-N 1 2 399.333 2.336 20 0 GEADLO COc1cc(Br)cc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000922076471 654364057 /nfs/dbraw/zinc/36/40/57/654364057.db2.gz HAHYSJLSVBTUSU-CYBMUJFWSA-N 1 2 379.258 2.468 20 0 GEADLO O=C(NCCC[NH2+]Cc1ncc(Br)cc1O)c1cccc(O)c1 ZINC000892786140 654364195 /nfs/dbraw/zinc/36/41/95/654364195.db2.gz CNWIGVROJUPYMS-UHFFFAOYSA-N 1 2 380.242 2.165 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000922079473 654364331 /nfs/dbraw/zinc/36/43/31/654364331.db2.gz PQFVIWJWOVLJGC-CHWSQXEVSA-N 1 2 391.273 2.297 20 0 GEADLO COC(=O)N1CCN(c2ccc(NCc3nc(Br)c[nH]3)c[nH+]2)CC1 ZINC000922148487 654372383 /nfs/dbraw/zinc/37/23/83/654372383.db2.gz LBMZRILUXMCSQM-UHFFFAOYSA-N 1 2 395.261 2.068 20 0 GEADLO O[C@H](C[NH2+]Cc1ncc(Br)cn1)COc1ccc2cc[nH]c2c1 ZINC000905670140 654373082 /nfs/dbraw/zinc/37/30/82/654373082.db2.gz YKZODXRQTAJCNF-CYBMUJFWSA-N 1 2 377.242 2.250 20 0 GEADLO C[N@H+](CN1C(=O)C[C@@]2(CCc3cc(Br)ccc32)C1=O)[C@H]1CCOC1 ZINC000872578037 654374782 /nfs/dbraw/zinc/37/47/82/654374782.db2.gz YBCGJJGKKYMSFX-KBXCAEBGSA-N 1 2 393.281 2.070 20 0 GEADLO C[N@@H+](CN1C(=O)C[C@@]2(CCc3cc(Br)ccc32)C1=O)[C@H]1CCOC1 ZINC000872578037 654374784 /nfs/dbraw/zinc/37/47/84/654374784.db2.gz YBCGJJGKKYMSFX-KBXCAEBGSA-N 1 2 393.281 2.070 20 0 GEADLO C[N@H+](CN1C(=O)C[C@@]2(CCc3cc(Br)ccc32)C1=O)[C@@H]1CCOC1 ZINC000872578040 654374791 /nfs/dbraw/zinc/37/47/91/654374791.db2.gz YBCGJJGKKYMSFX-RDTXWAMCSA-N 1 2 393.281 2.070 20 0 GEADLO C[N@@H+](CN1C(=O)C[C@@]2(CCc3cc(Br)ccc32)C1=O)[C@@H]1CCOC1 ZINC000872578040 654374793 /nfs/dbraw/zinc/37/47/93/654374793.db2.gz YBCGJJGKKYMSFX-RDTXWAMCSA-N 1 2 393.281 2.070 20 0 GEADLO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854725970 654379409 /nfs/dbraw/zinc/37/94/09/654379409.db2.gz DOSNALNZGVANMQ-NVXWUHKLSA-N 1 2 395.297 2.076 20 0 GEADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNCc3nc(Br)c[nH]3)C2)c1 ZINC000922318198 654383137 /nfs/dbraw/zinc/38/31/37/654383137.db2.gz URJSSEMOWRJXJH-HNNXBMFYSA-N 1 2 379.302 2.471 20 0 GEADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNCc3nc(Br)c[nH]3)C2)c1 ZINC000922318198 654383141 /nfs/dbraw/zinc/38/31/41/654383141.db2.gz URJSSEMOWRJXJH-HNNXBMFYSA-N 1 2 379.302 2.471 20 0 GEADLO O=C(Cc1cccc(F)c1)N1CCC[N@H+](CC[S@@](=O)C(F)(F)F)CC1 ZINC000905939761 654392663 /nfs/dbraw/zinc/39/26/63/654392663.db2.gz HOEYMTNTKOSZTN-RUZDIDTESA-N 1 2 380.407 2.171 20 0 GEADLO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](CC[S@@](=O)C(F)(F)F)CC1 ZINC000905939761 654392664 /nfs/dbraw/zinc/39/26/64/654392664.db2.gz HOEYMTNTKOSZTN-RUZDIDTESA-N 1 2 380.407 2.171 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000922513419 654399137 /nfs/dbraw/zinc/39/91/37/654399137.db2.gz SAFZUQFOLZTTGJ-CYBMUJFWSA-N 1 2 377.242 2.093 20 0 GEADLO O=C(NCC[S@@](=O)CC(F)(F)F)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000855272297 654406475 /nfs/dbraw/zinc/40/64/75/654406475.db2.gz GXGZLPVXMNKESG-SGANQWHYSA-N 1 2 376.444 2.468 20 0 GEADLO O=C(NCC[S@@](=O)CC(F)(F)F)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000855272297 654406480 /nfs/dbraw/zinc/40/64/80/654406480.db2.gz GXGZLPVXMNKESG-SGANQWHYSA-N 1 2 376.444 2.468 20 0 GEADLO CN(C)[C@H](C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1)c1c[nH+]cn1C ZINC000855330843 654413042 /nfs/dbraw/zinc/41/30/42/654413042.db2.gz WLUJVMYYKQEOAJ-LBPRGKRZSA-N 1 2 379.877 2.172 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)c1 ZINC000922824598 654415298 /nfs/dbraw/zinc/41/52/98/654415298.db2.gz XVXKIJJKDZQVJJ-CYBMUJFWSA-N 1 2 379.262 2.062 20 0 GEADLO CC[NH+](CC)[C@H](C(=O)NCCS(=O)(=O)CC(F)(F)F)c1ccccc1 ZINC000855575364 654426464 /nfs/dbraw/zinc/42/64/64/654426464.db2.gz MYLNQCAIIXDLHQ-AWEZNQCLSA-N 1 2 380.432 2.163 20 0 GEADLO CCn1c(C[N@H+](CCO)CCCOC)nc(Br)c1Br ZINC000893883030 654428855 /nfs/dbraw/zinc/42/88/55/654428855.db2.gz JRSMECMBNGLLQA-UHFFFAOYSA-N 1 2 399.127 2.259 20 0 GEADLO CCn1c(C[N@@H+](CCO)CCCOC)nc(Br)c1Br ZINC000893883030 654428858 /nfs/dbraw/zinc/42/88/58/654428858.db2.gz JRSMECMBNGLLQA-UHFFFAOYSA-N 1 2 399.127 2.259 20 0 GEADLO COCCC[N@H+](Cc1ccccc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000893910390 654430744 /nfs/dbraw/zinc/43/07/44/654430744.db2.gz FTVYFBZQDRWBGR-OAHLLOKOSA-N 1 2 377.453 2.356 20 0 GEADLO COCCC[N@@H+](Cc1ccccc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000893910390 654430750 /nfs/dbraw/zinc/43/07/50/654430750.db2.gz FTVYFBZQDRWBGR-OAHLLOKOSA-N 1 2 377.453 2.356 20 0 GEADLO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000923262235 654440073 /nfs/dbraw/zinc/44/00/73/654440073.db2.gz XMYJBPQXILIZMS-QWHCGFSZSA-N 1 2 376.400 2.289 20 0 GEADLO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000923262235 654440076 /nfs/dbraw/zinc/44/00/76/654440076.db2.gz XMYJBPQXILIZMS-QWHCGFSZSA-N 1 2 376.400 2.289 20 0 GEADLO O=C(c1nscc1I)N1CCC(n2cc[nH+]c2)CC1 ZINC000906471137 654441715 /nfs/dbraw/zinc/44/17/15/654441715.db2.gz TUAZSIWXBRTXMJ-UHFFFAOYSA-N 1 2 388.234 2.422 20 0 GEADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)[nH]1 ZINC000894094157 654446136 /nfs/dbraw/zinc/44/61/36/654446136.db2.gz KDTNBDFXGMQOJE-GFCCVEGCSA-N 1 2 382.921 2.439 20 0 GEADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)[nH]1 ZINC000894094157 654446140 /nfs/dbraw/zinc/44/61/40/654446140.db2.gz KDTNBDFXGMQOJE-GFCCVEGCSA-N 1 2 382.921 2.439 20 0 GEADLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)n1 ZINC000894094157 654446141 /nfs/dbraw/zinc/44/61/41/654446141.db2.gz KDTNBDFXGMQOJE-GFCCVEGCSA-N 1 2 382.921 2.439 20 0 GEADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)n1 ZINC000894094157 654446150 /nfs/dbraw/zinc/44/61/50/654446150.db2.gz KDTNBDFXGMQOJE-GFCCVEGCSA-N 1 2 382.921 2.439 20 0 GEADLO CN(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1c(I)cnn1C ZINC000894200694 654455304 /nfs/dbraw/zinc/45/53/04/654455304.db2.gz UHJBMLBXKYDSQZ-CQSZACIVSA-N 1 2 398.292 2.287 20 0 GEADLO Cn1cc(C[NH2+]Cc2ccc(OCC3CC3)nc2)c(I)n1 ZINC000894216248 654456785 /nfs/dbraw/zinc/45/67/85/654456785.db2.gz LPPZOYBGLWAEFK-UHFFFAOYSA-N 1 2 398.248 2.498 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000894220445 654457286 /nfs/dbraw/zinc/45/72/86/654457286.db2.gz JNDPTOBVZCBSJX-UHFFFAOYSA-N 1 2 399.232 2.476 20 0 GEADLO C[C@H]1CCN(C(=O)NCc2cnc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000923536609 654464560 /nfs/dbraw/zinc/46/45/60/654464560.db2.gz QENDXIFCRFOHTD-WCQYABFASA-N 1 2 379.262 2.228 20 0 GEADLO Cn1cc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)c(I)n1 ZINC000894347678 654467709 /nfs/dbraw/zinc/46/77/09/654467709.db2.gz PVOHKVXWDAFSIK-UHFFFAOYSA-N 1 2 399.158 2.073 20 0 GEADLO Cn1cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c(I)n1 ZINC000894851795 654502254 /nfs/dbraw/zinc/50/22/54/654502254.db2.gz QPYJYBVJBNSMBF-ZDUSSCGKSA-N 1 2 375.254 2.273 20 0 GEADLO Cn1cc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c(I)n1 ZINC000894851795 654502257 /nfs/dbraw/zinc/50/22/57/654502257.db2.gz QPYJYBVJBNSMBF-ZDUSSCGKSA-N 1 2 375.254 2.273 20 0 GEADLO Cn1nc(Br)nc1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000894915602 654505104 /nfs/dbraw/zinc/50/51/04/654505104.db2.gz DUFCFTAPRIOOCI-NTZNESFSSA-N 1 2 383.294 2.061 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)oc1Cl ZINC000907154835 654515676 /nfs/dbraw/zinc/51/56/76/654515676.db2.gz GREYTALQJZVMTL-LLVKDONJSA-N 1 2 376.862 2.015 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)oc1Cl ZINC000907154835 654515678 /nfs/dbraw/zinc/51/56/78/654515678.db2.gz GREYTALQJZVMTL-LLVKDONJSA-N 1 2 376.862 2.015 20 0 GEADLO Cn1cc(CNC(=O)N2CCCC[C@H]2c2c[nH+]cn2C)c(Br)n1 ZINC000924566241 654519745 /nfs/dbraw/zinc/51/97/45/654519745.db2.gz WFWMYPPGJMFEDX-LBPRGKRZSA-N 1 2 381.278 2.353 20 0 GEADLO C[C@H]1CN(C(=O)NCc2nc(C[NH+](C)C)cs2)CC[C@H](C(F)(F)F)O1 ZINC000924790744 654524745 /nfs/dbraw/zinc/52/47/45/654524745.db2.gz JRQKKMQYIVOAMP-CMPLNLGQSA-N 1 2 380.436 2.456 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)oc1Cl ZINC000907267634 654525284 /nfs/dbraw/zinc/52/52/84/654525284.db2.gz DZYBRWQOAVUYQV-VXGBXAGGSA-N 1 2 376.862 2.015 20 0 GEADLO Cc1c(C(=O)NCCc2c[nH+]cn2C)nnn1-c1ccccc1Br ZINC000907307526 654529964 /nfs/dbraw/zinc/52/99/64/654529964.db2.gz LSJXPCLIDZALDA-UHFFFAOYSA-N 1 2 389.257 2.044 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCSC[C@H]2c2nccs2)C1 ZINC000907458255 654544977 /nfs/dbraw/zinc/54/49/77/654544977.db2.gz WPYUAZGAXGJDRS-KBPBESRZSA-N 1 2 383.539 2.035 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCSC[C@H]2c2nccs2)C1 ZINC000907458255 654544979 /nfs/dbraw/zinc/54/49/79/654544979.db2.gz WPYUAZGAXGJDRS-KBPBESRZSA-N 1 2 383.539 2.035 20 0 GEADLO O=S(=O)(C[C@@H](O)C[NH2+][C@@H]1COCc2cccc(Cl)c21)c1cccs1 ZINC000925604793 654546733 /nfs/dbraw/zinc/54/67/33/654546733.db2.gz BMBZEOCMBWUWNB-GXTWGEPZSA-N 1 2 387.910 2.397 20 0 GEADLO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000925776591 654549006 /nfs/dbraw/zinc/54/90/06/654549006.db2.gz YBVUKJWQIMMUNO-JKSUJKDBSA-N 1 2 393.285 2.018 20 0 GEADLO CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000925776591 654549008 /nfs/dbraw/zinc/54/90/08/654549008.db2.gz YBVUKJWQIMMUNO-JKSUJKDBSA-N 1 2 393.285 2.018 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cnn(C)n3)C2=O)ccc1Br ZINC000926183677 654562972 /nfs/dbraw/zinc/56/29/72/654562972.db2.gz ORDHNFYBDVDQLT-BXUZGUMPSA-N 1 2 378.274 2.342 20 0 GEADLO CC1=C(Br)CN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000907940274 654591511 /nfs/dbraw/zinc/59/15/11/654591511.db2.gz RNKLDNHQRIAWIN-UHFFFAOYSA-N 1 2 382.302 2.335 20 0 GEADLO C/C(=C\C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)C[NH+]1CCOCC1 ZINC000908020491 654597264 /nfs/dbraw/zinc/59/72/64/654597264.db2.gz ICKZTLAASPRJQZ-KDHUCADRSA-N 1 2 399.260 2.416 20 0 GEADLO COc1ccc(C(=O)NCc2nc(C[NH+](C)C)cs2)nc1Br ZINC000927767658 654613012 /nfs/dbraw/zinc/61/30/12/654613012.db2.gz CYBWDOHFIMQNPT-UHFFFAOYSA-N 1 2 385.287 2.301 20 0 GEADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928356261 654642315 /nfs/dbraw/zinc/64/23/15/654642315.db2.gz DTCOHMRWRHWUMX-RISCZKNCSA-N 1 2 376.258 2.362 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1sc(CC(F)(F)F)nc1C ZINC000928633702 654653399 /nfs/dbraw/zinc/65/33/99/654653399.db2.gz BVNFPPPHWPGUDZ-GFCCVEGCSA-N 1 2 379.448 2.326 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cn(C(C)(C)C)nc1Br ZINC000928645528 654654037 /nfs/dbraw/zinc/65/40/37/654654037.db2.gz YQGVBFOUOJLZGR-GFCCVEGCSA-N 1 2 387.322 2.241 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CCO1 ZINC000909702169 654671995 /nfs/dbraw/zinc/67/19/95/654671995.db2.gz HIDDZYDQIQJGRK-WCQYABFASA-N 1 2 397.269 2.139 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CCO1 ZINC000909702169 654671997 /nfs/dbraw/zinc/67/19/97/654671997.db2.gz HIDDZYDQIQJGRK-WCQYABFASA-N 1 2 397.269 2.139 20 0 GEADLO COC(=O)c1cc(Br)c(C[NH+]2CCC(NC(C)=O)CC2)cc1OC ZINC000929419274 654683261 /nfs/dbraw/zinc/68/32/61/654683261.db2.gz AVJSBGMPPVANHQ-UHFFFAOYSA-N 1 2 399.285 2.345 20 0 GEADLO Cc1cc(C[N@@H+]2CCCN(C(N)=O)CC2)c(C)cc1I ZINC000929481430 654685468 /nfs/dbraw/zinc/68/54/68/654685468.db2.gz FNRKYUUMVRQQPG-UHFFFAOYSA-N 1 2 387.265 2.494 20 0 GEADLO Cc1cc(C[N@H+]2CCCN(C(N)=O)CC2)c(C)cc1I ZINC000929481430 654685470 /nfs/dbraw/zinc/68/54/70/654685470.db2.gz FNRKYUUMVRQQPG-UHFFFAOYSA-N 1 2 387.265 2.494 20 0 GEADLO Cn1cc(Br)c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1=O ZINC000929500097 654685793 /nfs/dbraw/zinc/68/57/93/654685793.db2.gz BQAUXMLYCWKHOX-UHFFFAOYSA-N 1 2 396.310 2.167 20 0 GEADLO COC(=O)c1ccc(Br)c(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000929648335 654689331 /nfs/dbraw/zinc/68/93/31/654689331.db2.gz FFECHPVFFZDNIH-CQSZACIVSA-N 1 2 396.285 2.225 20 0 GEADLO COC(=O)c1ccc(Br)c(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000929648335 654689333 /nfs/dbraw/zinc/68/93/33/654689333.db2.gz FFECHPVFFZDNIH-CQSZACIVSA-N 1 2 396.285 2.225 20 0 GEADLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000929697667 654690375 /nfs/dbraw/zinc/69/03/75/654690375.db2.gz BAFCJVVQTALMQW-LBPRGKRZSA-N 1 2 375.359 2.471 20 0 GEADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000929697667 654690377 /nfs/dbraw/zinc/69/03/77/654690377.db2.gz BAFCJVVQTALMQW-LBPRGKRZSA-N 1 2 375.359 2.471 20 0 GEADLO CCCN1C(=O)CC[C@@H](C(=O)NCC2(Br)CC2)[C@@H]1c1c[nH+]cn1C ZINC000910215640 654692399 /nfs/dbraw/zinc/69/23/99/654692399.db2.gz UVKWFXROIRTBKM-IUODEOHRSA-N 1 2 397.317 2.154 20 0 GEADLO CCCC[N@H+](Cc1ccc(Br)nc1N)[C@H]1CCS(=O)(=O)C1 ZINC000929970856 654696351 /nfs/dbraw/zinc/69/63/51/654696351.db2.gz LJRBUQIGIYAZCH-LBPRGKRZSA-N 1 2 376.320 2.216 20 0 GEADLO CCCC[N@@H+](Cc1ccc(Br)nc1N)[C@H]1CCS(=O)(=O)C1 ZINC000929970856 654696352 /nfs/dbraw/zinc/69/63/52/654696352.db2.gz LJRBUQIGIYAZCH-LBPRGKRZSA-N 1 2 376.320 2.216 20 0 GEADLO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)n(C)n2)cc1 ZINC000930213136 654702017 /nfs/dbraw/zinc/70/20/17/654702017.db2.gz VYZFXJJETRZZBP-SNVBAGLBSA-N 1 2 376.404 2.198 20 0 GEADLO C[N@H+](CCO[C@@H]1CCOC1)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000930299807 654705101 /nfs/dbraw/zinc/70/51/01/654705101.db2.gz JBNAILFEWBMPPS-MRXNPFEDSA-N 1 2 381.274 2.267 20 0 GEADLO C[N@@H+](CCO[C@@H]1CCOC1)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000930299807 654705104 /nfs/dbraw/zinc/70/51/04/654705104.db2.gz JBNAILFEWBMPPS-MRXNPFEDSA-N 1 2 381.274 2.267 20 0 GEADLO CCOC(=O)C1([S@](C)=O)CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000930604825 654714861 /nfs/dbraw/zinc/71/48/61/654714861.db2.gz TXDCZQAOJZVESD-DSGZJRDPSA-N 1 2 385.448 2.263 20 0 GEADLO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2ccc(Br)nc2N)CC1 ZINC000931103869 654729622 /nfs/dbraw/zinc/72/96/22/654729622.db2.gz NRRWRWFERWBJDX-HNNXBMFYSA-N 1 2 380.290 2.105 20 0 GEADLO CC[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000931226799 654734679 /nfs/dbraw/zinc/73/46/79/654734679.db2.gz XQBWSDOPTXUWSU-JKSUJKDBSA-N 1 2 387.933 2.050 20 0 GEADLO CC[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000931226799 654734683 /nfs/dbraw/zinc/73/46/83/654734683.db2.gz XQBWSDOPTXUWSU-JKSUJKDBSA-N 1 2 387.933 2.050 20 0 GEADLO COc1ccc(C[N@@H+]2CCCC[C@H]2CS(N)(=O)=O)c(Br)c1 ZINC000931233165 654735454 /nfs/dbraw/zinc/73/54/54/654735454.db2.gz XQLPZUMSYLBWAO-LBPRGKRZSA-N 1 2 377.304 2.101 20 0 GEADLO COc1ccc(C[N@H+]2CCCC[C@H]2CS(N)(=O)=O)c(Br)c1 ZINC000931233165 654735458 /nfs/dbraw/zinc/73/54/58/654735458.db2.gz XQLPZUMSYLBWAO-LBPRGKRZSA-N 1 2 377.304 2.101 20 0 GEADLO Cn1ccc([C@H]2CCC[N@H+](Cc3c(I)cnn3C)C2)n1 ZINC000932132225 654767917 /nfs/dbraw/zinc/76/79/17/654767917.db2.gz IFVDPPQDIXJYPQ-NSHDSACASA-N 1 2 385.253 2.138 20 0 GEADLO Cn1ccc([C@H]2CCC[N@@H+](Cc3c(I)cnn3C)C2)n1 ZINC000932132225 654767921 /nfs/dbraw/zinc/76/79/21/654767921.db2.gz IFVDPPQDIXJYPQ-NSHDSACASA-N 1 2 385.253 2.138 20 0 GEADLO Cc1nc(CC2CC[NH+](Cc3ccc(S(=O)(=O)N(C)C)s3)CC2)no1 ZINC000932241458 654771984 /nfs/dbraw/zinc/77/19/84/654771984.db2.gz KIYRGHQLBLOPBB-UHFFFAOYSA-N 1 2 384.527 2.145 20 0 GEADLO CCOC(=O)[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000932654528 654784469 /nfs/dbraw/zinc/78/44/69/654784469.db2.gz ZUGPOAKUYOTBQF-LBPRGKRZSA-N 1 2 390.299 2.108 20 0 GEADLO CCOC(=O)[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000932654528 654784473 /nfs/dbraw/zinc/78/44/73/654784473.db2.gz ZUGPOAKUYOTBQF-LBPRGKRZSA-N 1 2 390.299 2.108 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3cn(C)nc3Br)C2)s1 ZINC000932670583 654785308 /nfs/dbraw/zinc/78/53/08/654785308.db2.gz HDBNZCVJSZRMNG-VIFPVBQESA-N 1 2 385.287 2.415 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3cn(C)nc3Br)C2)s1 ZINC000932670583 654785311 /nfs/dbraw/zinc/78/53/11/654785311.db2.gz HDBNZCVJSZRMNG-VIFPVBQESA-N 1 2 385.287 2.415 20 0 GEADLO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913439688 654791966 /nfs/dbraw/zinc/79/19/66/654791966.db2.gz IKFIWOSKPAOFPM-WCXIOVBPSA-N 1 2 387.281 2.231 20 0 GEADLO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913439944 654792014 /nfs/dbraw/zinc/79/20/14/654792014.db2.gz OPRCZZDCRDNLLZ-MXASKKJJSA-N 1 2 387.281 2.231 20 0 GEADLO O=C(COc1ccc(Br)cc1Cl)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913441943 654792275 /nfs/dbraw/zinc/79/22/75/654792275.db2.gz VQKDTUCBEYVFIN-CYBMUJFWSA-N 1 2 399.676 2.378 20 0 GEADLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c(Br)c1 ZINC000913442060 654792341 /nfs/dbraw/zinc/79/23/41/654792341.db2.gz BMTHVAJTMMYTCM-IUODEOHRSA-N 1 2 393.285 2.421 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913447547 654792507 /nfs/dbraw/zinc/79/25/07/654792507.db2.gz MNANTYFWBKVNHC-RISCZKNCSA-N 1 2 379.258 2.113 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913447677 654792580 /nfs/dbraw/zinc/79/25/80/654792580.db2.gz SGWMRTBBTDQRLY-NHYWBVRUSA-N 1 2 379.258 2.113 20 0 GEADLO O=C1NC[C@H](O)CC12CC[NH+](Cc1cn3cc(Cl)cc(Cl)c3n1)CC2 ZINC000932840628 654792885 /nfs/dbraw/zinc/79/28/85/654792885.db2.gz ZESRVVVUGQESAX-CYBMUJFWSA-N 1 2 383.279 2.104 20 0 GEADLO O=C(CCc1cccc(F)c1Br)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913452972 654792917 /nfs/dbraw/zinc/79/29/17/654792917.db2.gz HLWSEVNFFBSKJA-AWEZNQCLSA-N 1 2 381.249 2.417 20 0 GEADLO CO[C@@H](C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)c1ccccc1Br ZINC000913458743 654793342 /nfs/dbraw/zinc/79/33/42/654793342.db2.gz UJNSGNHHVQBHKZ-HUUCEWRRSA-N 1 2 379.258 2.033 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3cn4cc(Cl)cc(Cl)c4n3)CC[NH2+]2)cn1 ZINC000913461328 654793573 /nfs/dbraw/zinc/79/35/73/654793573.db2.gz RJYBKTNONBRPEJ-CYBMUJFWSA-N 1 2 379.251 2.161 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)CC[NH2+]2)cn1 ZINC000913462695 654793946 /nfs/dbraw/zinc/79/39/46/654793946.db2.gz MYKSGIIMVNLHLS-GFCCVEGCSA-N 1 2 376.873 2.312 20 0 GEADLO Cc1ccc(CC(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)cc1Br ZINC000913463814 654794028 /nfs/dbraw/zinc/79/40/28/654794028.db2.gz XPDYVMMUUPECFA-MRXNPFEDSA-N 1 2 377.286 2.207 20 0 GEADLO C/C(=C/c1ccc(Br)o1)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913475522 654794539 /nfs/dbraw/zinc/79/45/39/654794539.db2.gz UNMJMZOYXFETGN-JOHMGYAOSA-N 1 2 379.258 2.352 20 0 GEADLO CO[C@H](C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1)c1ccc(Br)s1 ZINC000913476467 654794837 /nfs/dbraw/zinc/79/48/37/654794837.db2.gz YEKYGRMJSXINGS-RISCZKNCSA-N 1 2 399.314 2.105 20 0 GEADLO Cn1ncc(Br)c1CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000913817545 654810707 /nfs/dbraw/zinc/81/07/07/654810707.db2.gz UTEHMSUUIZQUPM-CQSZACIVSA-N 1 2 381.249 2.037 20 0 GEADLO CC(F)(F)CCCS(=O)(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000913905659 654815276 /nfs/dbraw/zinc/81/52/76/654815276.db2.gz SSDGJFAHBWIYJL-UHFFFAOYSA-N 1 2 375.485 2.163 20 0 GEADLO CC[NH+]1CCC(NS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)CC1 ZINC000913908930 654815557 /nfs/dbraw/zinc/81/55/57/654815557.db2.gz MBYUZTAAFDBMOC-XMMPIXPASA-N 1 2 399.460 2.352 20 0 GEADLO O=C(c1cnn2cccc(Br)c12)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000933661736 654819363 /nfs/dbraw/zinc/81/93/63/654819363.db2.gz VJEWPEMJATZVOR-CYBMUJFWSA-N 1 2 393.285 2.034 20 0 GEADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c(Cl)c1 ZINC000933700030 654820538 /nfs/dbraw/zinc/82/05/38/654820538.db2.gz TXHYOVMYNXTVKZ-MCIONIFRSA-N 1 2 387.933 2.140 20 0 GEADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c(Cl)c1 ZINC000933700030 654820540 /nfs/dbraw/zinc/82/05/40/654820540.db2.gz TXHYOVMYNXTVKZ-MCIONIFRSA-N 1 2 387.933 2.140 20 0 GEADLO C[C@@H]1C[N@H+](Cc2c(F)ccc(Br)c2F)C[C@H]1CS(N)(=O)=O ZINC000933700347 654820812 /nfs/dbraw/zinc/82/08/12/654820812.db2.gz OPLCXMOUJHXWHY-BDAKNGLRSA-N 1 2 383.258 2.084 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2c(F)ccc(Br)c2F)C[C@H]1CS(N)(=O)=O ZINC000933700347 654820814 /nfs/dbraw/zinc/82/08/14/654820814.db2.gz OPLCXMOUJHXWHY-BDAKNGLRSA-N 1 2 383.258 2.084 20 0 GEADLO O=S1(=O)C[C@H]2C[N@H+](Cc3ccc(Br)c4cccnc34)C[C@H]2C1 ZINC000933721262 654821358 /nfs/dbraw/zinc/82/13/58/654821358.db2.gz BBMSJJHHNSUESS-BETUJISGSA-N 1 2 381.295 2.474 20 0 GEADLO O=S1(=O)C[C@H]2C[N@@H+](Cc3ccc(Br)c4cccnc34)C[C@H]2C1 ZINC000933721262 654821360 /nfs/dbraw/zinc/82/13/60/654821360.db2.gz BBMSJJHHNSUESS-BETUJISGSA-N 1 2 381.295 2.474 20 0 GEADLO Cc1cc(CNC(=O)Nc2cnn(C)c2I)cc(C)[nH+]1 ZINC000933739719 654824305 /nfs/dbraw/zinc/82/43/05/654824305.db2.gz BVXBDCUSUFMYMO-UHFFFAOYSA-N 1 2 385.209 2.358 20 0 GEADLO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000914081247 654825339 /nfs/dbraw/zinc/82/53/39/654825339.db2.gz SHAANDMMXUCMFZ-MCFWBGNESA-N 1 2 399.460 2.210 20 0 GEADLO C[N@H+]1CCC[C@@H](CNS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000914081247 654825341 /nfs/dbraw/zinc/82/53/41/654825341.db2.gz SHAANDMMXUCMFZ-MCFWBGNESA-N 1 2 399.460 2.210 20 0 GEADLO Cc1cn2c(nc(C[N@H+]3CCCSC[C@H]3c3cnn(C)c3)cc2=O)s1 ZINC000933972863 654832077 /nfs/dbraw/zinc/83/20/77/654832077.db2.gz CYSUPBAQIKKHCY-HNNXBMFYSA-N 1 2 375.523 2.478 20 0 GEADLO Cc1cn2c(nc(C[N@@H+]3CCCSC[C@H]3c3cnn(C)c3)cc2=O)s1 ZINC000933972863 654832079 /nfs/dbraw/zinc/83/20/79/654832079.db2.gz CYSUPBAQIKKHCY-HNNXBMFYSA-N 1 2 375.523 2.478 20 0 GEADLO Cc1csc2nc(C[N@H+]3CCCSC[C@@H]3c3cnn(C)c3)cc(=O)n12 ZINC000933987416 654833168 /nfs/dbraw/zinc/83/31/68/654833168.db2.gz ZXTDZRAGKTYQEX-OAHLLOKOSA-N 1 2 375.523 2.478 20 0 GEADLO Cc1csc2nc(C[N@@H+]3CCCSC[C@@H]3c3cnn(C)c3)cc(=O)n12 ZINC000933987416 654833169 /nfs/dbraw/zinc/83/31/69/654833169.db2.gz ZXTDZRAGKTYQEX-OAHLLOKOSA-N 1 2 375.523 2.478 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000914197908 654834514 /nfs/dbraw/zinc/83/45/14/654834514.db2.gz OGAAKZXSCQBYLI-NSHDSACASA-N 1 2 379.262 2.203 20 0 GEADLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000914244121 654838356 /nfs/dbraw/zinc/83/83/56/654838356.db2.gz AYGBOSFHPPLSGV-KOLCDFICSA-N 1 2 380.388 2.052 20 0 GEADLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000914244121 654838361 /nfs/dbraw/zinc/83/83/61/654838361.db2.gz AYGBOSFHPPLSGV-KOLCDFICSA-N 1 2 380.388 2.052 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2c(Br)cnn2C2CC2)[C@H](C)CO1 ZINC000934368420 654846361 /nfs/dbraw/zinc/84/63/61/654846361.db2.gz FMVOULBLXGEXOB-GHMZBOCLSA-N 1 2 386.294 2.211 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2c(Br)cnn2C2CC2)[C@H](C)CO1 ZINC000934368420 654846362 /nfs/dbraw/zinc/84/63/62/654846362.db2.gz FMVOULBLXGEXOB-GHMZBOCLSA-N 1 2 386.294 2.211 20 0 GEADLO C[C@@H]1CCN(C(=O)c2cc(Br)cn3ncnc23)C[C@@H]1n1cc[nH+]c1 ZINC000934655495 654854934 /nfs/dbraw/zinc/85/49/34/654854934.db2.gz XKBKMRUJSMAXPM-RISCZKNCSA-N 1 2 389.257 2.412 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)n1 ZINC000914840387 654858213 /nfs/dbraw/zinc/85/82/13/654858213.db2.gz ZMAXESUQTXJDCT-UHFFFAOYSA-N 1 2 386.499 2.081 20 0 GEADLO CCCCCNC(=O)C[NH2+][C@@H](CO)c1ccccc1I ZINC000934829729 654863024 /nfs/dbraw/zinc/86/30/24/654863024.db2.gz PAYYOLFRXXRAGO-AWEZNQCLSA-N 1 2 390.265 2.221 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1Cl ZINC001164707167 719841245 /nfs/dbraw/zinc/84/12/45/719841245.db2.gz ZTFPKBLKLIJFCO-BDJLRTHQSA-N 1 2 389.283 2.016 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1Cl ZINC001164707168 719841611 /nfs/dbraw/zinc/84/16/11/719841611.db2.gz ZTFPKBLKLIJFCO-BZNIZROVSA-N 1 2 389.283 2.016 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccncc2)cn1 ZINC001164701178 719866403 /nfs/dbraw/zinc/86/64/03/719866403.db2.gz FRTGWIVWQHVMAB-UGKGYDQZSA-N 1 2 396.491 2.376 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(SC(C)C)nn1 ZINC001164702843 719873171 /nfs/dbraw/zinc/87/31/71/719873171.db2.gz JADZYDNIUFMIDB-BEFAXECRSA-N 1 2 394.541 2.210 20 0 GEADLO Cc1cnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1N1CCCC1 ZINC001165011187 721693475 /nfs/dbraw/zinc/69/34/75/721693475.db2.gz YTQQQBBOBNKGSY-UHFFFAOYSA-N 1 2 384.532 2.227 20 0 GEADLO Cc1cnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1N1CCCC1 ZINC001165011187 721693487 /nfs/dbraw/zinc/69/34/87/721693487.db2.gz YTQQQBBOBNKGSY-UHFFFAOYSA-N 1 2 384.532 2.227 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(N3CCCCC3)nn1)C2 ZINC001165007148 721694855 /nfs/dbraw/zinc/69/48/55/721694855.db2.gz BJTMMNWSDJEUBP-UHFFFAOYSA-N 1 2 384.532 2.309 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(N3CCCCC3)nn1)C2 ZINC001165007148 721694859 /nfs/dbraw/zinc/69/48/59/721694859.db2.gz BJTMMNWSDJEUBP-UHFFFAOYSA-N 1 2 384.532 2.309 20 0 GEADLO CCOc1c(Cl)ncnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165011742 721706396 /nfs/dbraw/zinc/70/63/96/721706396.db2.gz XSKCYBGVHOFARE-UHFFFAOYSA-N 1 2 379.896 2.371 20 0 GEADLO CCOc1c(Cl)ncnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165011742 721706398 /nfs/dbraw/zinc/70/63/98/721706398.db2.gz XSKCYBGVHOFARE-UHFFFAOYSA-N 1 2 379.896 2.371 20 0 GEADLO CCOC(=O)c1cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)ncc1C ZINC001165010202 721706483 /nfs/dbraw/zinc/70/64/83/721706483.db2.gz FOIWMSWOSSUJAW-UHFFFAOYSA-N 1 2 386.500 2.409 20 0 GEADLO CCOC(=O)c1cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)ncc1C ZINC001165010202 721706486 /nfs/dbraw/zinc/70/64/86/721706486.db2.gz FOIWMSWOSSUJAW-UHFFFAOYSA-N 1 2 386.500 2.409 20 0 GEADLO COC(=O)/C=C\c1cc(C)cnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008340 721710467 /nfs/dbraw/zinc/71/04/67/721710467.db2.gz FGUGPSFPFDKONA-FPLPWBNLSA-N 1 2 398.511 2.418 20 0 GEADLO COC(=O)/C=C\c1cc(C)cnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008340 721710470 /nfs/dbraw/zinc/71/04/70/721710470.db2.gz FGUGPSFPFDKONA-FPLPWBNLSA-N 1 2 398.511 2.418 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3c1ncn3C1CC1)C2 ZINC001165010046 721715147 /nfs/dbraw/zinc/71/51/47/721715147.db2.gz YBQBSAQCRVJMIF-UHFFFAOYSA-N 1 2 381.488 2.003 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3c1ncn3C1CC1)C2 ZINC001165010046 721715151 /nfs/dbraw/zinc/71/51/51/721715151.db2.gz YBQBSAQCRVJMIF-UHFFFAOYSA-N 1 2 381.488 2.003 20 0 GEADLO Fc1cc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912978 721771192 /nfs/dbraw/zinc/77/11/92/721771192.db2.gz SMGHGYLDUHEDNX-IBGZPJMESA-N 1 2 392.862 2.377 20 0 GEADLO Fc1cc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912978 721771198 /nfs/dbraw/zinc/77/11/98/721771198.db2.gz SMGHGYLDUHEDNX-IBGZPJMESA-N 1 2 392.862 2.377 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cncc(N3CCCCC3)n2)CC1 ZINC001164919023 721817540 /nfs/dbraw/zinc/81/75/40/721817540.db2.gz YSDADSCTGSINKE-UHFFFAOYSA-N 1 2 381.528 2.413 20 0 GEADLO Cc1cnc2n1CC[N@@H+](C)C21CCN([C@H](F)Oc2cncc(Cl)n2)CC1 ZINC001164919734 721821329 /nfs/dbraw/zinc/82/13/29/721821329.db2.gz VHNIQBFWLUOIKM-INIZCTEOSA-N 1 2 380.855 2.204 20 0 GEADLO Cc1cnc2n1CC[N@H+](C)C21CCN([C@H](F)Oc2cncc(Cl)n2)CC1 ZINC001164919734 721821331 /nfs/dbraw/zinc/82/13/31/721821331.db2.gz VHNIQBFWLUOIKM-INIZCTEOSA-N 1 2 380.855 2.204 20 0 GEADLO COC(=O)c1ccc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1Cl ZINC001165038803 721905387 /nfs/dbraw/zinc/90/53/87/721905387.db2.gz OWULYMXPXQXAAS-LBPRGKRZSA-N 1 2 389.830 2.368 20 0 GEADLO CCN(CC)c1cc(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)nc[nH+]1 ZINC001164950939 721951352 /nfs/dbraw/zinc/95/13/52/721951352.db2.gz YDSILOZNSFKCLD-QZTJIDSGSA-N 1 2 386.500 2.017 20 0 GEADLO CCCc1cncnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945052 721973296 /nfs/dbraw/zinc/97/32/96/721973296.db2.gz NYLWBBBYIXDHSD-UHFFFAOYSA-N 1 2 379.508 2.400 20 0 GEADLO CCCc1cncnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945052 721973297 /nfs/dbraw/zinc/97/32/97/721973297.db2.gz NYLWBBBYIXDHSD-UHFFFAOYSA-N 1 2 379.508 2.400 20 0 GEADLO CCCc1nccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164951048 721981560 /nfs/dbraw/zinc/98/15/60/721981560.db2.gz XAZWCOSULFOSJJ-UHFFFAOYSA-N 1 2 379.508 2.400 20 0 GEADLO CCCc1nccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164951048 721981563 /nfs/dbraw/zinc/98/15/63/721981563.db2.gz XAZWCOSULFOSJJ-UHFFFAOYSA-N 1 2 379.508 2.400 20 0 GEADLO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)[C@H]2COC[C@@H]21 ZINC001164957578 722038329 /nfs/dbraw/zinc/03/83/29/722038329.db2.gz AIUREKZDPAWBKO-INMHGKMJSA-N 1 2 388.899 2.438 20 0 GEADLO Cn1cccc1C(=O)N[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)[C@H]2COC[C@@H]21 ZINC001164957578 722038332 /nfs/dbraw/zinc/03/83/32/722038332.db2.gz AIUREKZDPAWBKO-INMHGKMJSA-N 1 2 388.899 2.438 20 0 GEADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N(C)C)[nH+]cn4)CC[C@@H]32)cs1 ZINC001164988436 722174201 /nfs/dbraw/zinc/17/42/01/722174201.db2.gz RAFGMIIRNKVYTH-IRXDYDNUSA-N 1 2 388.541 2.177 20 0 GEADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N(C)C)nc[nH+]4)CC[C@@H]32)cs1 ZINC001164988436 722174204 /nfs/dbraw/zinc/17/42/04/722174204.db2.gz RAFGMIIRNKVYTH-IRXDYDNUSA-N 1 2 388.541 2.177 20 0 GEADLO C[C@H]1C[NH+](CCCCNS(=O)(=O)c2ccc(F)c(F)c2F)C[C@H](C)O1 ZINC000151803048 531519933 /nfs/dbraw/zinc/51/99/33/531519933.db2.gz QXZLUELLRHYGLJ-RYUDHWBXSA-N 1 2 380.432 2.272 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)C[C@@H]21 ZINC000152243426 531538531 /nfs/dbraw/zinc/53/85/31/531538531.db2.gz SSCNNZIXICPCKS-JKSUJKDBSA-N 1 2 381.263 2.334 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)C[C@@H]21 ZINC000152243426 531538540 /nfs/dbraw/zinc/53/85/40/531538540.db2.gz SSCNNZIXICPCKS-JKSUJKDBSA-N 1 2 381.263 2.334 20 0 GEADLO Cn1cnnc1C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000152321885 531541856 /nfs/dbraw/zinc/54/18/56/531541856.db2.gz WMIVVEAOIPAKBD-LBPRGKRZSA-N 1 2 384.221 2.423 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000152355347 531544828 /nfs/dbraw/zinc/54/48/28/531544828.db2.gz DDEAMTYKFOZELM-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N(CCO)CC[NH+]1CCOCC1 ZINC000152404473 531549783 /nfs/dbraw/zinc/54/97/83/531549783.db2.gz RBTZSFDIVNREJG-JKSUJKDBSA-N 1 2 387.307 2.250 20 0 GEADLO CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152476000 531554181 /nfs/dbraw/zinc/55/41/81/531554181.db2.gz QWNAPYWLUUXLRQ-BZUAXINKSA-N 1 2 385.892 2.262 20 0 GEADLO CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152476000 531554186 /nfs/dbraw/zinc/55/41/86/531554186.db2.gz QWNAPYWLUUXLRQ-BZUAXINKSA-N 1 2 385.892 2.262 20 0 GEADLO Cc1nc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000152821720 531572939 /nfs/dbraw/zinc/57/29/39/531572939.db2.gz OPJSFSPPPRTHFK-UHFFFAOYSA-N 1 2 390.285 2.308 20 0 GEADLO Cc1cc(=O)n2nc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)sc2n1 ZINC000020962185 531583758 /nfs/dbraw/zinc/58/37/58/531583758.db2.gz INHQKWFXGIYPJY-UHFFFAOYSA-N 1 2 375.885 2.435 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(Br)cc1F ZINC000153074905 531588252 /nfs/dbraw/zinc/58/82/52/531588252.db2.gz VEXCYLBPWHXHHV-LRDDRELGSA-N 1 2 393.260 2.378 20 0 GEADLO O=C(CNC(=O)c1cccs1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000023639803 531597679 /nfs/dbraw/zinc/59/76/79/531597679.db2.gz LEKKGAPPDYYGDZ-UHFFFAOYSA-N 1 2 377.897 2.476 20 0 GEADLO CCCN(C(=O)[C@@H](C)Sc1[nH+]cc2ccccn21)[C@H]1CCS(=O)(=O)C1 ZINC000024311262 531603376 /nfs/dbraw/zinc/60/33/76/531603376.db2.gz VUAUMLGFYOISCT-HIFRSBDPSA-N 1 2 381.523 2.241 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000024243955 531602010 /nfs/dbraw/zinc/60/20/10/531602010.db2.gz OOVAWLZHYPCFLJ-LBPRGKRZSA-N 1 2 384.293 2.373 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)o3)cc2)CC1 ZINC000026787449 531620100 /nfs/dbraw/zinc/62/01/00/531620100.db2.gz SEDLCTLSJMYMBP-UHFFFAOYSA-N 1 2 383.857 2.121 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000026958075 531621258 /nfs/dbraw/zinc/62/12/58/531621258.db2.gz GWHTZVOYTLQTFD-AWEZNQCLSA-N 1 2 380.432 2.341 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000026958075 531621267 /nfs/dbraw/zinc/62/12/67/531621267.db2.gz GWHTZVOYTLQTFD-AWEZNQCLSA-N 1 2 380.432 2.341 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(Br)c2)C1 ZINC000026958339 531620799 /nfs/dbraw/zinc/62/07/99/531620799.db2.gz NSLXECAEFCKJFF-CQSZACIVSA-N 1 2 391.331 2.084 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(Br)c2)C1 ZINC000026958339 531620807 /nfs/dbraw/zinc/62/08/07/531620807.db2.gz NSLXECAEFCKJFF-CQSZACIVSA-N 1 2 391.331 2.084 20 0 GEADLO CS(=O)(=O)c1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000031960903 531647644 /nfs/dbraw/zinc/64/76/44/531647644.db2.gz LDNCNTZXEJANKC-UHFFFAOYSA-N 1 2 382.551 2.182 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000041625242 531665069 /nfs/dbraw/zinc/66/50/69/531665069.db2.gz HGEIKALLYBIATA-LLVKDONJSA-N 1 2 394.324 2.193 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000041625242 531665074 /nfs/dbraw/zinc/66/50/74/531665074.db2.gz HGEIKALLYBIATA-LLVKDONJSA-N 1 2 394.324 2.193 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)c(Br)c1 ZINC000041637739 531666735 /nfs/dbraw/zinc/66/67/35/531666735.db2.gz ZFXSZQZUVNSIAI-UHFFFAOYSA-N 1 2 391.269 2.473 20 0 GEADLO CC(C)[C@H](Sc1[nH+]cc2ccccn21)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000042992172 531676800 /nfs/dbraw/zinc/67/68/00/531676800.db2.gz NCXWCCQYMTXAOY-YOEHRIQHSA-N 1 2 381.523 2.144 20 0 GEADLO CS(=O)(=O)Cc1ccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000042799230 531671926 /nfs/dbraw/zinc/67/19/26/531671926.db2.gz OTHOKRDWBKCJLF-UHFFFAOYSA-N 1 2 377.853 2.462 20 0 GEADLO CC(C)[NH+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000045429771 531692664 /nfs/dbraw/zinc/69/26/64/531692664.db2.gz NNXHDVGRUXJLPP-UHFFFAOYSA-N 1 2 385.555 2.089 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000155863902 531702718 /nfs/dbraw/zinc/70/27/18/531702718.db2.gz UGEBRGYGZFIYNB-SNVBAGLBSA-N 1 2 391.280 2.167 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000155863902 531702724 /nfs/dbraw/zinc/70/27/24/531702724.db2.gz UGEBRGYGZFIYNB-SNVBAGLBSA-N 1 2 391.280 2.167 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2csc(-c3ccsc3)n2)CC1 ZINC000046406655 531703027 /nfs/dbraw/zinc/70/30/27/531703027.db2.gz VYYPRPREKSULIB-UHFFFAOYSA-N 1 2 378.523 2.156 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2csc(-c3ccsc3)n2)CC1 ZINC000046406655 531703038 /nfs/dbraw/zinc/70/30/38/531703038.db2.gz VYYPRPREKSULIB-UHFFFAOYSA-N 1 2 378.523 2.156 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(Br)s1 ZINC000046480271 531703274 /nfs/dbraw/zinc/70/32/74/531703274.db2.gz BNOHTNYEOBJAJA-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO C[C@@H]1CN(c2ccc(CNC(=O)c3cncc(Br)c3)c[nH+]2)CCO1 ZINC000046716039 531707679 /nfs/dbraw/zinc/70/76/79/531707679.db2.gz IKRZJCZCOHNEPV-GFCCVEGCSA-N 1 2 391.269 2.394 20 0 GEADLO Cc1csc(N2CC[NH+](Cc3cccc(S(=O)(=O)N(C)C)c3)CC2)n1 ZINC000048008438 531726472 /nfs/dbraw/zinc/72/64/72/531726472.db2.gz LBRFMJPVBJHCAX-UHFFFAOYSA-N 1 2 380.539 2.024 20 0 GEADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000157003726 531729548 /nfs/dbraw/zinc/72/95/48/531729548.db2.gz ZHNYOOARLTVDHH-TZMCWYRMSA-N 1 2 375.296 2.124 20 0 GEADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000157003726 531729552 /nfs/dbraw/zinc/72/95/52/531729552.db2.gz ZHNYOOARLTVDHH-TZMCWYRMSA-N 1 2 375.296 2.124 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047894316 531722106 /nfs/dbraw/zinc/72/21/06/531722106.db2.gz NARIZHRWELNWDS-LBPRGKRZSA-N 1 2 394.273 2.280 20 0 GEADLO Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1C ZINC000157243902 531736622 /nfs/dbraw/zinc/73/66/22/531736622.db2.gz WZRUARPWWCCOHC-UHFFFAOYSA-N 1 2 379.507 2.404 20 0 GEADLO Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1C ZINC000157243902 531736631 /nfs/dbraw/zinc/73/66/31/531736631.db2.gz WZRUARPWWCCOHC-UHFFFAOYSA-N 1 2 379.507 2.404 20 0 GEADLO COc1cc(Br)c(C[NH2+]CC(=O)NCc2ccco2)c(OC)c1 ZINC000157306339 531737678 /nfs/dbraw/zinc/73/76/78/531737678.db2.gz NKQINNXWIVRVBS-UHFFFAOYSA-N 1 2 383.242 2.465 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000157541008 531744561 /nfs/dbraw/zinc/74/45/61/531744561.db2.gz ROGVWYWBFOGDJJ-UHFFFAOYSA-N 1 2 383.495 2.139 20 0 GEADLO C[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)Cc1ccc(Cl)s1 ZINC000051679843 531744636 /nfs/dbraw/zinc/74/46/36/531744636.db2.gz YOUJYBJRGSILIN-UHFFFAOYSA-N 1 2 381.885 2.014 20 0 GEADLO C[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)Cc1ccc(Cl)s1 ZINC000051679843 531744642 /nfs/dbraw/zinc/74/46/42/531744642.db2.gz YOUJYBJRGSILIN-UHFFFAOYSA-N 1 2 381.885 2.014 20 0 GEADLO COCCCNC(=O)C[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000053142144 531756344 /nfs/dbraw/zinc/75/63/44/531756344.db2.gz PIXWBRFYAZYKMA-UHFFFAOYSA-N 1 2 390.311 2.036 20 0 GEADLO COCCCNC(=O)C[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000053142144 531756348 /nfs/dbraw/zinc/75/63/48/531756348.db2.gz PIXWBRFYAZYKMA-UHFFFAOYSA-N 1 2 390.311 2.036 20 0 GEADLO CSc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000053219074 531757496 /nfs/dbraw/zinc/75/74/96/531757496.db2.gz FFJQXZSJUXYUDG-OAHLLOKOSA-N 1 2 385.555 2.141 20 0 GEADLO CSc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000053219074 531757503 /nfs/dbraw/zinc/75/75/03/531757503.db2.gz FFJQXZSJUXYUDG-OAHLLOKOSA-N 1 2 385.555 2.141 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1Cl ZINC000053217675 531758525 /nfs/dbraw/zinc/75/85/25/531758525.db2.gz PFUZKUDPASTMHU-HNNXBMFYSA-N 1 2 387.933 2.381 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1Cl ZINC000053217675 531758536 /nfs/dbraw/zinc/75/85/36/531758536.db2.gz PFUZKUDPASTMHU-HNNXBMFYSA-N 1 2 387.933 2.381 20 0 GEADLO O=C(CNC(=O)c1ccsc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000055109970 531781550 /nfs/dbraw/zinc/78/15/50/531781550.db2.gz IKJSIUZFZQKTKV-UHFFFAOYSA-N 1 2 377.897 2.476 20 0 GEADLO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000158265338 531773033 /nfs/dbraw/zinc/77/30/33/531773033.db2.gz VWYJJGQGPZAFKD-JQWIXIFHSA-N 1 2 376.404 2.400 20 0 GEADLO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000158265629 531773463 /nfs/dbraw/zinc/77/34/63/531773463.db2.gz VWYJJGQGPZAFKD-CMPLNLGQSA-N 1 2 376.404 2.400 20 0 GEADLO O=C(C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)Nc1nccs1 ZINC000054216013 531775466 /nfs/dbraw/zinc/77/54/66/531775466.db2.gz VBVPVOSLDREEGM-UHFFFAOYSA-N 1 2 379.873 2.481 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)NC1(c2cccc(Br)c2)CCC1 ZINC000158386703 531778256 /nfs/dbraw/zinc/77/82/56/531778256.db2.gz BEICNNBZNLUXLE-UHFFFAOYSA-N 1 2 382.302 2.460 20 0 GEADLO C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)c[nH+]2)CCO1 ZINC000056064849 531803197 /nfs/dbraw/zinc/80/31/97/531803197.db2.gz XHJWLORHNAOLBK-CYBMUJFWSA-N 1 2 381.885 2.439 20 0 GEADLO C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccccc3Cl)c[nH+]2)CCO1 ZINC000056064818 531803239 /nfs/dbraw/zinc/80/32/39/531803239.db2.gz LIWHZZJPPKBRLA-ZDUSSCGKSA-N 1 2 381.885 2.439 20 0 GEADLO O=S(=O)(NC1CCN(c2cccc[nH+]2)CC1)c1cccc2nsnc21 ZINC000056060254 531803700 /nfs/dbraw/zinc/80/37/00/531803700.db2.gz OKNKICINGUTNRI-UHFFFAOYSA-N 1 2 375.479 2.034 20 0 GEADLO CCN(Cc1cc(Br)ccc1F)C(=O)NCC[NH+]1CCOCC1 ZINC000058216652 531827750 /nfs/dbraw/zinc/82/77/50/531827750.db2.gz WIFSWCHEKZYDCV-UHFFFAOYSA-N 1 2 388.281 2.452 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)NC1(c2ccc(Br)cc2)CCC1 ZINC000058219461 531828737 /nfs/dbraw/zinc/82/87/37/531828737.db2.gz ISTAXICCKLGRSU-UHFFFAOYSA-N 1 2 382.302 2.460 20 0 GEADLO C[C@H](CCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[S@](C)=O ZINC000163851308 531865340 /nfs/dbraw/zinc/86/53/40/531865340.db2.gz RVNMQFSIWYZJKO-ZQJOYCHOSA-N 1 2 387.303 2.053 20 0 GEADLO CCOC(=O)CCCNC(=O)C[N@H+](C)Cc1csc(Br)c1 ZINC000064994179 531872898 /nfs/dbraw/zinc/87/28/98/531872898.db2.gz DNFHQRZQKHIBEZ-UHFFFAOYSA-N 1 2 377.304 2.402 20 0 GEADLO CCOC(=O)CCCNC(=O)C[N@@H+](C)Cc1csc(Br)c1 ZINC000064994179 531872903 /nfs/dbraw/zinc/87/29/03/531872903.db2.gz DNFHQRZQKHIBEZ-UHFFFAOYSA-N 1 2 377.304 2.402 20 0 GEADLO CCOC(=O)CCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167924035 531881438 /nfs/dbraw/zinc/88/14/38/531881438.db2.gz YXEKLOLPKOPFFJ-GDBMZVCRSA-N 1 2 392.880 2.097 20 0 GEADLO CCOC(=O)CCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167924035 531881449 /nfs/dbraw/zinc/88/14/49/531881449.db2.gz YXEKLOLPKOPFFJ-GDBMZVCRSA-N 1 2 392.880 2.097 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067358126 531883232 /nfs/dbraw/zinc/88/32/32/531883232.db2.gz CBFUTTJXETXLRC-MRXNPFEDSA-N 1 2 388.295 2.409 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000068037581 531893842 /nfs/dbraw/zinc/89/38/42/531893842.db2.gz JXNIESQRSYVSKK-LBPRGKRZSA-N 1 2 379.309 2.479 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1 ZINC000068951410 531907133 /nfs/dbraw/zinc/90/71/33/531907133.db2.gz MJOWEQXGOHKPTO-HOTGVXAUSA-N 1 2 388.265 2.371 20 0 GEADLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cncc(Br)c2)CC1 ZINC000171684021 531911437 /nfs/dbraw/zinc/91/14/37/531911437.db2.gz DHTLGTYYRJFBFH-AWEZNQCLSA-N 1 2 395.345 2.409 20 0 GEADLO O=S(=O)(c1ccc(F)cc1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069868265 531913847 /nfs/dbraw/zinc/91/38/47/531913847.db2.gz GGYPPFSDZIUUMI-ZDUSSCGKSA-N 1 2 376.881 2.212 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Br)cc1 ZINC000171758835 531914889 /nfs/dbraw/zinc/91/48/89/531914889.db2.gz UOCCVAUYTPIOKO-YOEHRIQHSA-N 1 2 388.265 2.371 20 0 GEADLO CCC[N@H+](CC(=O)N1CCNC(=O)C1)[C@H](C)c1ccccc1Br ZINC000071954077 531915656 /nfs/dbraw/zinc/91/56/56/531915656.db2.gz MUMARNILOBBPKU-CYBMUJFWSA-N 1 2 382.302 2.181 20 0 GEADLO CCC[N@@H+](CC(=O)N1CCNC(=O)C1)[C@H](C)c1ccccc1Br ZINC000071954077 531915665 /nfs/dbraw/zinc/91/56/65/531915665.db2.gz MUMARNILOBBPKU-CYBMUJFWSA-N 1 2 382.302 2.181 20 0 GEADLO C[N@H+](CC(=O)N1CCOCC1)Cc1cc(Br)ccc1OC(F)F ZINC000071959368 531916267 /nfs/dbraw/zinc/91/62/67/531916267.db2.gz KQGSSGBJEIFVIS-UHFFFAOYSA-N 1 2 393.228 2.341 20 0 GEADLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cc(Br)ccc1OC(F)F ZINC000071959368 531916276 /nfs/dbraw/zinc/91/62/76/531916276.db2.gz KQGSSGBJEIFVIS-UHFFFAOYSA-N 1 2 393.228 2.341 20 0 GEADLO NC(=O)c1cccnc1N1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000172013014 531929108 /nfs/dbraw/zinc/92/91/08/531929108.db2.gz FLLZTOUONJHJCR-UHFFFAOYSA-N 1 2 381.299 2.327 20 0 GEADLO C[C@@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC000172141391 531935859 /nfs/dbraw/zinc/93/58/59/531935859.db2.gz VIQJCPOVPHILPO-ZDUSSCGKSA-N 1 2 387.571 2.007 20 0 GEADLO C[C@@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)[N@H+]1CCc2sccc2C1 ZINC000172141391 531935867 /nfs/dbraw/zinc/93/58/67/531935867.db2.gz VIQJCPOVPHILPO-ZDUSSCGKSA-N 1 2 387.571 2.007 20 0 GEADLO O=C(C[N@@H+]1CCc2cccc(Br)c2C1)N1CCC2(CC1)OCCO2 ZINC000172405003 531951742 /nfs/dbraw/zinc/95/17/42/531951742.db2.gz JTTHHORHICFPOZ-UHFFFAOYSA-N 1 2 395.297 2.173 20 0 GEADLO O=C(C[N@H+]1CCc2cccc(Br)c2C1)N1CCC2(CC1)OCCO2 ZINC000172405003 531951748 /nfs/dbraw/zinc/95/17/48/531951748.db2.gz JTTHHORHICFPOZ-UHFFFAOYSA-N 1 2 395.297 2.173 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000112229363 531946311 /nfs/dbraw/zinc/94/63/11/531946311.db2.gz SSBQLQHRZOQMQE-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114855702 531957979 /nfs/dbraw/zinc/95/79/79/531957979.db2.gz GALPROBXMLNESY-WBMJQRKESA-N 1 2 383.286 2.196 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114855702 531957986 /nfs/dbraw/zinc/95/79/86/531957986.db2.gz GALPROBXMLNESY-WBMJQRKESA-N 1 2 383.286 2.196 20 0 GEADLO COCCCC[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000114205468 531956016 /nfs/dbraw/zinc/95/60/16/531956016.db2.gz GMEIOZCHTPHBFD-UHFFFAOYSA-N 1 2 391.331 2.182 20 0 GEADLO Cc1ncsc1CC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000172522044 531956593 /nfs/dbraw/zinc/95/65/93/531956593.db2.gz SRNLGXXKIVRLNW-UHFFFAOYSA-N 1 2 387.477 2.279 20 0 GEADLO COC[C@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000172895024 531971727 /nfs/dbraw/zinc/97/17/27/531971727.db2.gz PJTGWRKQFNNNFG-QWHCGFSZSA-N 1 2 394.693 2.189 20 0 GEADLO COC[C@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000172895024 531971733 /nfs/dbraw/zinc/97/17/33/531971733.db2.gz PJTGWRKQFNNNFG-QWHCGFSZSA-N 1 2 394.693 2.189 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000120151569 531974833 /nfs/dbraw/zinc/97/48/33/531974833.db2.gz NEBAMRTZOOKVGR-UHFFFAOYSA-N 1 2 389.308 2.196 20 0 GEADLO Cn1cc(Br)cc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000120191494 531977386 /nfs/dbraw/zinc/97/73/86/531977386.db2.gz PAJLAPOABQQJRH-INIZCTEOSA-N 1 2 392.297 2.418 20 0 GEADLO Cn1cc(Br)cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000120191494 531977394 /nfs/dbraw/zinc/97/73/94/531977394.db2.gz PAJLAPOABQQJRH-INIZCTEOSA-N 1 2 392.297 2.418 20 0 GEADLO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCc1[nH]cc[nH+]1 ZINC000172993008 531978569 /nfs/dbraw/zinc/97/85/69/531978569.db2.gz YHHLDYIQHALYNA-AWEZNQCLSA-N 1 2 380.901 2.274 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)s2)cs1 ZINC000120731566 531992886 /nfs/dbraw/zinc/99/28/86/531992886.db2.gz CXSPCKMWKLOHBV-ZDUSSCGKSA-N 1 2 399.563 2.322 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)s2)cs1 ZINC000120731566 531992896 /nfs/dbraw/zinc/99/28/96/531992896.db2.gz CXSPCKMWKLOHBV-ZDUSSCGKSA-N 1 2 399.563 2.322 20 0 GEADLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1c[nH]c(=O)c(Br)c1 ZINC000173049745 531983543 /nfs/dbraw/zinc/98/35/43/531983543.db2.gz WQKYRZPQVUVLSW-UHFFFAOYSA-N 1 2 377.242 2.063 20 0 GEADLO C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)Cc1cccc(F)c1 ZINC000121084797 532011245 /nfs/dbraw/zinc/01/12/45/532011245.db2.gz JXHKQFNVUNCHAS-UHFFFAOYSA-N 1 2 385.848 2.197 20 0 GEADLO C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)Cc1cccc(F)c1 ZINC000121084797 532011254 /nfs/dbraw/zinc/01/12/54/532011254.db2.gz JXHKQFNVUNCHAS-UHFFFAOYSA-N 1 2 385.848 2.197 20 0 GEADLO CCCCN(C(=O)C[NH2+][C@@](C)(CC)c1nccs1)[C@H]1CCS(=O)(=O)C1 ZINC000173496647 532014875 /nfs/dbraw/zinc/01/48/75/532014875.db2.gz SNGYQNPLVYBLQM-YOEHRIQHSA-N 1 2 387.571 2.174 20 0 GEADLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1cccc(Br)c1 ZINC000173634833 532023807 /nfs/dbraw/zinc/02/38/07/532023807.db2.gz HDHKELGFBQKTND-LLVKDONJSA-N 1 2 378.274 2.494 20 0 GEADLO O=C(CN1CCC[C@@H]1C[NH+]1CCOCC1)Nc1ccc(Br)cc1 ZINC000173685057 532026245 /nfs/dbraw/zinc/02/62/45/532026245.db2.gz JWWFSULTMQRGRI-MRXNPFEDSA-N 1 2 382.302 2.184 20 0 GEADLO CC(=O)N[C@H](CC(=O)NCCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000121541692 532034668 /nfs/dbraw/zinc/03/46/68/532034668.db2.gz WIMGKXHJASASGK-MRXNPFEDSA-N 1 2 393.285 2.109 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000121597851 532036953 /nfs/dbraw/zinc/03/69/53/532036953.db2.gz NRIOPFXTRFICBS-QGZVFWFLSA-N 1 2 376.869 2.361 20 0 GEADLO COCC[N@H+](CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000121619048 532038372 /nfs/dbraw/zinc/03/83/72/532038372.db2.gz DZWUJMRXPHDWSY-CQSZACIVSA-N 1 2 381.416 2.263 20 0 GEADLO COCC[N@@H+](CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000121619048 532038380 /nfs/dbraw/zinc/03/83/80/532038380.db2.gz DZWUJMRXPHDWSY-CQSZACIVSA-N 1 2 381.416 2.263 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[S@@](=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000121659315 532040619 /nfs/dbraw/zinc/04/06/19/532040619.db2.gz OUWCVCWVDQEVSC-DEOSSOPVSA-N 1 2 377.491 2.034 20 0 GEADLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000173878788 532041051 /nfs/dbraw/zinc/04/10/51/532041051.db2.gz AWJZUQNUVAYMLS-FZMZJTMJSA-N 1 2 384.889 2.465 20 0 GEADLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000173878788 532041058 /nfs/dbraw/zinc/04/10/58/532041058.db2.gz AWJZUQNUVAYMLS-FZMZJTMJSA-N 1 2 384.889 2.465 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)nc1Cl ZINC000122091978 532057225 /nfs/dbraw/zinc/05/72/25/532057225.db2.gz XXEUMUHRBMKPCE-TZMCWYRMSA-N 1 2 390.843 2.075 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)nc1Cl ZINC000122091978 532057234 /nfs/dbraw/zinc/05/72/34/532057234.db2.gz XXEUMUHRBMKPCE-TZMCWYRMSA-N 1 2 390.843 2.075 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)nc1Cl ZINC000122092196 532056293 /nfs/dbraw/zinc/05/62/93/532056293.db2.gz XXEUMUHRBMKPCE-GXTWGEPZSA-N 1 2 390.843 2.075 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)nc1Cl ZINC000122092196 532056299 /nfs/dbraw/zinc/05/62/99/532056299.db2.gz XXEUMUHRBMKPCE-GXTWGEPZSA-N 1 2 390.843 2.075 20 0 GEADLO C[C@@H](NC(=O)N(C)Cc1nc(C(F)(F)F)cs1)[C@@H](C)[NH+]1CCOCC1 ZINC000174243187 532058154 /nfs/dbraw/zinc/05/81/54/532058154.db2.gz SVGIIGIGLOXRFG-GHMZBOCLSA-N 1 2 380.436 2.413 20 0 GEADLO O=c1cc(CN2CC[NH+](Cc3ccncc3Cl)CC2)nc2sccn21 ZINC000174812772 532079254 /nfs/dbraw/zinc/07/92/54/532079254.db2.gz MPWIEUCTGPDZRG-UHFFFAOYSA-N 1 2 375.885 2.122 20 0 GEADLO CNC(=O)CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000175003620 532086666 /nfs/dbraw/zinc/08/66/66/532086666.db2.gz VLVXYNJIQXXIMN-UHFFFAOYSA-N 1 2 386.265 2.375 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCCOC(C)C)CC1 ZINC000123349606 532099160 /nfs/dbraw/zinc/09/91/60/532099160.db2.gz HFAMEULPHRGRCV-UHFFFAOYSA-N 1 2 390.933 2.470 20 0 GEADLO COCCCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000123784004 532107325 /nfs/dbraw/zinc/10/73/25/532107325.db2.gz WZVCWOUDERWOKS-UHFFFAOYSA-N 1 2 376.906 2.082 20 0 GEADLO C[C@@H]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123831088 532108602 /nfs/dbraw/zinc/10/86/02/532108602.db2.gz QKXVSLWKFSLOSH-CJNGLKHVSA-N 1 2 381.885 2.420 20 0 GEADLO Cc1csc([C@@H](C)NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)n1 ZINC000123872422 532110127 /nfs/dbraw/zinc/11/01/27/532110127.db2.gz HNDKFIORVUMWOK-CYBMUJFWSA-N 1 2 381.523 2.278 20 0 GEADLO Cc1cc(CCC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)ccc1Br ZINC000176072500 532124770 /nfs/dbraw/zinc/12/47/70/532124770.db2.gz RSIZJYIPHDJFEZ-OAHLLOKOSA-N 1 2 382.346 2.442 20 0 GEADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000124429363 532121101 /nfs/dbraw/zinc/12/11/01/532121101.db2.gz XTXXJOLHCCZDCQ-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO CNC(=O)C1(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000124440568 532122393 /nfs/dbraw/zinc/12/23/93/532122393.db2.gz FYECJAZOTNMOIS-UHFFFAOYSA-N 1 2 384.307 2.206 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000124075744 532114138 /nfs/dbraw/zinc/11/41/38/532114138.db2.gz DSLCZSXRIAOUTN-AWEZNQCLSA-N 1 2 390.908 2.353 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2cn3ccccc3n2)CC1)c1cccs1 ZINC000124098301 532114573 /nfs/dbraw/zinc/11/45/73/532114573.db2.gz JCDOSFGTFCXWMR-UHFFFAOYSA-N 1 2 376.507 2.339 20 0 GEADLO C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000175794211 532115132 /nfs/dbraw/zinc/11/51/32/532115132.db2.gz YYQCXFNXAIKUDY-STQMWFEESA-N 1 2 390.311 2.389 20 0 GEADLO CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000125545535 532138438 /nfs/dbraw/zinc/13/84/38/532138438.db2.gz OVGQJLRDXKRXLF-UHFFFAOYSA-N 1 2 377.447 2.077 20 0 GEADLO O=C(CSc1nncn1-c1cccc(Cl)c1)N1CC[NH+](C2CC2)CC1 ZINC000124775381 532128819 /nfs/dbraw/zinc/12/88/19/532128819.db2.gz YXYHTDFVXHEDCD-UHFFFAOYSA-N 1 2 377.901 2.319 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc(Cl)cc(Br)c1O ZINC000176296056 532133251 /nfs/dbraw/zinc/13/32/51/532133251.db2.gz WKTULWOLDZJEQF-NSHDSACASA-N 1 2 389.677 2.401 20 0 GEADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc(Cl)cc(Br)c1O ZINC000176296056 532133254 /nfs/dbraw/zinc/13/32/54/532133254.db2.gz WKTULWOLDZJEQF-NSHDSACASA-N 1 2 389.677 2.401 20 0 GEADLO CC(C)(O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000176291372 532133335 /nfs/dbraw/zinc/13/33/35/532133335.db2.gz AQUKMYLCUBRLRT-UHFFFAOYSA-N 1 2 391.693 2.337 20 0 GEADLO CNC(=O)[C@H](C)C[N@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000176362458 532135064 /nfs/dbraw/zinc/13/50/64/532135064.db2.gz JOBBOUKUQQGSQK-GFCCVEGCSA-N 1 2 381.523 2.028 20 0 GEADLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000176362458 532135069 /nfs/dbraw/zinc/13/50/69/532135069.db2.gz JOBBOUKUQQGSQK-GFCCVEGCSA-N 1 2 381.523 2.028 20 0 GEADLO C[N@@H+]1CCC[C@H](CNC(=O)NCCS(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 ZINC000126264624 532147824 /nfs/dbraw/zinc/14/78/24/532147824.db2.gz HJEALXAZBVVEPV-ZBFHGGJFSA-N 1 2 387.933 2.067 20 0 GEADLO C[N@H+]1CCC[C@H](CNC(=O)NCCS(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 ZINC000126264624 532147826 /nfs/dbraw/zinc/14/78/26/532147826.db2.gz HJEALXAZBVVEPV-ZBFHGGJFSA-N 1 2 387.933 2.067 20 0 GEADLO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NCCn2cc[nH+]c2)c1 ZINC000176931763 532156120 /nfs/dbraw/zinc/15/61/20/532156120.db2.gz LXMNYYOCTWZVJQ-UHFFFAOYSA-N 1 2 395.257 2.188 20 0 GEADLO C[C@@H](Cn1cncn1)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000127691646 532157248 /nfs/dbraw/zinc/15/72/48/532157248.db2.gz HEGVJMNCODGLIR-XJKSGUPXSA-N 1 2 392.301 2.382 20 0 GEADLO C[C@H](CNC(=O)c1cc(Cl)cc(Br)c1O)N1CC[NH+](C)CC1 ZINC000177168096 532163611 /nfs/dbraw/zinc/16/36/11/532163611.db2.gz HSYNNBPCFRDIPU-SNVBAGLBSA-N 1 2 390.709 2.174 20 0 GEADLO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)NCc1ccc(Cl)s1 ZINC000177677845 532178766 /nfs/dbraw/zinc/17/87/66/532178766.db2.gz SEZFEWGQCYFORJ-UHFFFAOYSA-N 1 2 375.903 2.410 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000129811797 532184797 /nfs/dbraw/zinc/18/47/97/532184797.db2.gz QSLKKTNPMNTEAO-UHFFFAOYSA-N 1 2 379.258 2.441 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CCCSCC(C)C)CC1 ZINC000178569095 532205872 /nfs/dbraw/zinc/20/58/72/532205872.db2.gz YSDYPSOWVKWERQ-UHFFFAOYSA-N 1 2 375.560 2.377 20 0 GEADLO O=C(CCSc1ccc(Br)cc1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178636848 532208032 /nfs/dbraw/zinc/20/80/32/532208032.db2.gz OCQQRBJGKNMKKO-CQSZACIVSA-N 1 2 384.343 2.047 20 0 GEADLO O=C(CCCCOc1ccc(Br)cc1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178656506 532209037 /nfs/dbraw/zinc/20/90/37/532209037.db2.gz STMLYTZWFFAYFP-MRXNPFEDSA-N 1 2 396.329 2.114 20 0 GEADLO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178654386 532209141 /nfs/dbraw/zinc/20/91/41/532209141.db2.gz ODXWCXTXCYDMDV-ZBFHGGJFSA-N 1 2 380.330 2.134 20 0 GEADLO O=C(CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)Nc1ccc(Br)cc1 ZINC000178776316 532211820 /nfs/dbraw/zinc/21/18/20/532211820.db2.gz HZDQOMIOGLGZJR-LBPRGKRZSA-N 1 2 391.269 2.353 20 0 GEADLO CN(C(=O)[C@@H]1CCCn2cc[nH+]c21)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000178756995 532211880 /nfs/dbraw/zinc/21/18/80/532211880.db2.gz HEQYHCRAIQSOOS-TZMCWYRMSA-N 1 2 379.869 2.401 20 0 GEADLO Cc1cc(C[NH+]2CCN([C@H](C(N)=O)c3cccc(Br)c3)CC2)on1 ZINC000131714922 532202025 /nfs/dbraw/zinc/20/20/25/532202025.db2.gz UEYOGADMEDTRBJ-INIZCTEOSA-N 1 2 393.285 2.090 20 0 GEADLO COc1ccc(OCc2nc(C[NH2+]C[C@H]3CCCS3(=O)=O)cs2)cc1 ZINC000131759457 532203157 /nfs/dbraw/zinc/20/31/57/532203157.db2.gz ZIKDVPFCUKSDTC-MRXNPFEDSA-N 1 2 382.507 2.398 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000131759776 532203719 /nfs/dbraw/zinc/20/37/19/532203719.db2.gz OYXNGSVVTITKNE-HNNXBMFYSA-N 1 2 391.331 2.152 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000131759776 532203720 /nfs/dbraw/zinc/20/37/20/532203720.db2.gz OYXNGSVVTITKNE-HNNXBMFYSA-N 1 2 391.331 2.152 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000179323633 532228373 /nfs/dbraw/zinc/22/83/73/532228373.db2.gz UUJOQHQPCAKHOS-AWEZNQCLSA-N 1 2 383.286 2.152 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000179323633 532228376 /nfs/dbraw/zinc/22/83/76/532228376.db2.gz UUJOQHQPCAKHOS-AWEZNQCLSA-N 1 2 383.286 2.152 20 0 GEADLO COC[C@](C)(CCO)[NH2+]Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000133269608 532230234 /nfs/dbraw/zinc/23/02/34/532230234.db2.gz SHJYOHZZBDMRHR-INIZCTEOSA-N 1 2 384.274 2.300 20 0 GEADLO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C1 ZINC000178997148 532219591 /nfs/dbraw/zinc/21/95/91/532219591.db2.gz DYYRGKJUEGTLLY-ZDUSSCGKSA-N 1 2 379.507 2.230 20 0 GEADLO CCCNC(=O)C1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000179187710 532224728 /nfs/dbraw/zinc/22/47/28/532224728.db2.gz WVNLEWBIQAWKHN-HNNXBMFYSA-N 1 2 382.302 2.214 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(Br)c1 ZINC000179219932 532225423 /nfs/dbraw/zinc/22/54/23/532225423.db2.gz PINBSCJNLXBQTQ-YOEHRIQHSA-N 1 2 388.265 2.371 20 0 GEADLO C[C@H](Cn1cc(Br)cn1)Nc1cccc(CN2CCOCC2)[nH+]1 ZINC000179766269 532243036 /nfs/dbraw/zinc/24/30/36/532243036.db2.gz NNPSFZAOMQLUTE-CYBMUJFWSA-N 1 2 380.290 2.373 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)sc1Br ZINC000180107366 532257844 /nfs/dbraw/zinc/25/78/44/532257844.db2.gz DQLKSKXTLOGJNN-VXNVDRBHSA-N 1 2 380.333 2.118 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)sc1Br ZINC000180107366 532257848 /nfs/dbraw/zinc/25/78/48/532257848.db2.gz DQLKSKXTLOGJNN-VXNVDRBHSA-N 1 2 380.333 2.118 20 0 GEADLO C[C@@H](NC(=O)NCCOc1ncc(Cl)cc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000134767501 532262945 /nfs/dbraw/zinc/26/29/45/532262945.db2.gz IXDHQUAEBKRTQL-VXGBXAGGSA-N 1 2 391.299 2.176 20 0 GEADLO O=C(CCc1cc(Cl)cs1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000135390405 532272310 /nfs/dbraw/zinc/27/23/10/532272310.db2.gz AADJULJNGPZEHP-UHFFFAOYSA-N 1 2 379.917 2.063 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)[C@H]3CCO[C@H]3C)CC2)cs1 ZINC000135615784 532276780 /nfs/dbraw/zinc/27/67/80/532276780.db2.gz DFMMXNRPNBUXBE-BBRMVZONSA-N 1 2 387.571 2.014 20 0 GEADLO Cc1cc(N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2=O)ccc1Br ZINC000135961903 532280578 /nfs/dbraw/zinc/28/05/78/532280578.db2.gz RSIRFGNBRSAFMN-OAHLLOKOSA-N 1 2 391.269 2.266 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2OC(C)C)CC1 ZINC000135896115 532280778 /nfs/dbraw/zinc/28/07/78/532280778.db2.gz JIUZINUZQSZFDF-UHFFFAOYSA-N 1 2 398.301 2.339 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000136567693 532285222 /nfs/dbraw/zinc/28/52/22/532285222.db2.gz CVZQWTWFXZYLMJ-WFASDCNBSA-N 1 2 381.325 2.429 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000136567693 532285226 /nfs/dbraw/zinc/28/52/26/532285226.db2.gz CVZQWTWFXZYLMJ-WFASDCNBSA-N 1 2 381.325 2.429 20 0 GEADLO CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000135435130 532274119 /nfs/dbraw/zinc/27/41/19/532274119.db2.gz ZJBODHHGKROQNW-GFCCVEGCSA-N 1 2 378.466 2.449 20 0 GEADLO CSC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000135435130 532274121 /nfs/dbraw/zinc/27/41/21/532274121.db2.gz ZJBODHHGKROQNW-GFCCVEGCSA-N 1 2 378.466 2.449 20 0 GEADLO CC[C@@H](C)CS(=O)(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000181403351 532298133 /nfs/dbraw/zinc/29/81/33/532298133.db2.gz CNFFXMUHWLMWRW-CQSZACIVSA-N 1 2 384.933 2.481 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(OCC)c(OC)c2)C1 ZINC000181556476 532301333 /nfs/dbraw/zinc/30/13/33/532301333.db2.gz WIBZIOXJNRHLLA-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(OCC)c(OC)c2)C1 ZINC000181556476 532301336 /nfs/dbraw/zinc/30/13/36/532301336.db2.gz WIBZIOXJNRHLLA-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CC(=O)NCC(F)(F)F)n2)C1 ZINC000181915904 532307390 /nfs/dbraw/zinc/30/73/90/532307390.db2.gz JUSMEDHJSLBFGF-JTQLQIEISA-N 1 2 378.420 2.382 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CC(=O)NCC(F)(F)F)n2)C1 ZINC000181915904 532307393 /nfs/dbraw/zinc/30/73/93/532307393.db2.gz JUSMEDHJSLBFGF-JTQLQIEISA-N 1 2 378.420 2.382 20 0 GEADLO CC(C)(CNC(=O)NCCNc1cccc(Br)c1)[NH+]1CCOCC1 ZINC000182200336 532310147 /nfs/dbraw/zinc/31/01/47/532310147.db2.gz KTDZTYUPSGHICH-UHFFFAOYSA-N 1 2 399.333 2.271 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCCNc2cccc(Br)c2)CCO1 ZINC000182592086 532315052 /nfs/dbraw/zinc/31/50/52/532315052.db2.gz IDBXRTCRNZMZQG-UHFFFAOYSA-N 1 2 399.333 2.271 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCCNc2cccc(Br)c2)CCO1 ZINC000182592086 532315053 /nfs/dbraw/zinc/31/50/53/532315053.db2.gz IDBXRTCRNZMZQG-UHFFFAOYSA-N 1 2 399.333 2.271 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)[N@@H+]1CCc2sccc2C1 ZINC000182632430 532315722 /nfs/dbraw/zinc/31/57/22/532315722.db2.gz LOKFNLCGOWSZMT-LBPRGKRZSA-N 1 2 380.491 2.202 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)[N@H+]1CCc2sccc2C1 ZINC000182632430 532315724 /nfs/dbraw/zinc/31/57/24/532315724.db2.gz LOKFNLCGOWSZMT-LBPRGKRZSA-N 1 2 380.491 2.202 20 0 GEADLO C[C@@H](C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[NH+]1CCSCC1 ZINC000183031593 532321234 /nfs/dbraw/zinc/32/12/34/532321234.db2.gz MOVOWJMYBAKWAP-NHYWBVRUSA-N 1 2 385.892 2.138 20 0 GEADLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183266743 532322624 /nfs/dbraw/zinc/32/26/24/532322624.db2.gz MVDZULXKYOCYAL-LBPRGKRZSA-N 1 2 384.395 2.280 20 0 GEADLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183266743 532322625 /nfs/dbraw/zinc/32/26/25/532322625.db2.gz MVDZULXKYOCYAL-LBPRGKRZSA-N 1 2 384.395 2.280 20 0 GEADLO Cn1ncc(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)c1N ZINC000185795886 532338768 /nfs/dbraw/zinc/33/87/68/532338768.db2.gz XJFMFCIVIPLPPV-UHFFFAOYSA-N 1 2 382.295 2.310 20 0 GEADLO O=S(=O)(c1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)o1)N1CCCC1 ZINC000186817901 532342021 /nfs/dbraw/zinc/34/20/21/532342021.db2.gz MVHKIIYFDSBKTI-UHFFFAOYSA-N 1 2 386.539 2.162 20 0 GEADLO O=S(=O)(c1ccc(C[N@H+]2CCSC3(CCOCC3)C2)o1)N1CCCC1 ZINC000186817901 532342022 /nfs/dbraw/zinc/34/20/22/532342022.db2.gz MVHKIIYFDSBKTI-UHFFFAOYSA-N 1 2 386.539 2.162 20 0 GEADLO COc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)sc1Br ZINC000186954133 532342890 /nfs/dbraw/zinc/34/28/90/532342890.db2.gz HGYGZJSXMSTBFW-NXEZZACHSA-N 1 2 377.304 2.046 20 0 GEADLO COc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)sc1Br ZINC000186954133 532342891 /nfs/dbraw/zinc/34/28/91/532342891.db2.gz HGYGZJSXMSTBFW-NXEZZACHSA-N 1 2 377.304 2.046 20 0 GEADLO Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000187120094 532343232 /nfs/dbraw/zinc/34/32/32/532343232.db2.gz HHTVSHIWJVFJIJ-UHFFFAOYSA-N 1 2 380.539 2.387 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)s1 ZINC000183745167 532328897 /nfs/dbraw/zinc/32/88/97/532328897.db2.gz BDIBZELSKOIJOB-OAHLLOKOSA-N 1 2 386.539 2.361 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)s1 ZINC000183745167 532328899 /nfs/dbraw/zinc/32/88/99/532328899.db2.gz BDIBZELSKOIJOB-OAHLLOKOSA-N 1 2 386.539 2.361 20 0 GEADLO CN(C(=O)c1ccc2[nH+]ccn2c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000183745857 532328994 /nfs/dbraw/zinc/32/89/94/532328994.db2.gz BSZBNAGTWHGHBC-HNNXBMFYSA-N 1 2 387.237 2.395 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCCN(CC(F)F)CC1 ZINC000184291350 532331545 /nfs/dbraw/zinc/33/15/45/532331545.db2.gz XISKZSLGIKFSOS-UHFFFAOYSA-N 1 2 376.469 2.132 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCCN(CC(F)F)CC1 ZINC000184291350 532331547 /nfs/dbraw/zinc/33/15/47/532331547.db2.gz XISKZSLGIKFSOS-UHFFFAOYSA-N 1 2 376.469 2.132 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CSc2nnnn2C2CC2)CC1 ZINC000184362109 532332229 /nfs/dbraw/zinc/33/22/29/532332229.db2.gz IYMRJGWRWMYNIA-GFCCVEGCSA-N 1 2 378.527 2.067 20 0 GEADLO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1nnnn1-c1ccccc1 ZINC000184820026 532334997 /nfs/dbraw/zinc/33/49/97/532334997.db2.gz CUNOETNYFPUKGX-NSHDSACASA-N 1 2 376.873 2.344 20 0 GEADLO Cc1nc(N2CCN(C(=O)c3ccc(Br)cc3O)CC2)cc[nH+]1 ZINC000184945820 532336079 /nfs/dbraw/zinc/33/60/79/532336079.db2.gz XUUIEOZLHFTRSU-UHFFFAOYSA-N 1 2 377.242 2.216 20 0 GEADLO Cn1cc(N2CC[NH+](C[C@@H](O)c3ccc(F)c(Br)c3)CC2)cn1 ZINC000185016690 532336554 /nfs/dbraw/zinc/33/65/54/532336554.db2.gz HIHAWAZCXLNMOR-MRXNPFEDSA-N 1 2 383.265 2.177 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000188064000 532346499 /nfs/dbraw/zinc/34/64/99/532346499.db2.gz BTKJSAGESJQASB-JTQLQIEISA-N 1 2 385.288 2.210 20 0 GEADLO Cc1cc(Br)cc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000188137003 532346858 /nfs/dbraw/zinc/34/68/58/532346858.db2.gz LGQNAMYCESYPNA-UHFFFAOYSA-N 1 2 379.258 2.441 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)CCc1c[nH+]cn1C ZINC000188441961 532348148 /nfs/dbraw/zinc/34/81/48/532348148.db2.gz CGUORHICAKHHHU-UHFFFAOYSA-N 1 2 379.258 2.179 20 0 GEADLO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188708017 532349215 /nfs/dbraw/zinc/34/92/15/532349215.db2.gz QOYDUNIIZMEHBS-UONOGXRCSA-N 1 2 397.313 2.183 20 0 GEADLO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188708017 532349216 /nfs/dbraw/zinc/34/92/16/532349216.db2.gz QOYDUNIIZMEHBS-UONOGXRCSA-N 1 2 397.313 2.183 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](CCOCC(F)F)CC1 ZINC000188970903 532350339 /nfs/dbraw/zinc/35/03/39/532350339.db2.gz IVOYBHMBRSJUQT-UHFFFAOYSA-N 1 2 388.889 2.380 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](CCOCC(F)F)CC1 ZINC000188970903 532350340 /nfs/dbraw/zinc/35/03/40/532350340.db2.gz IVOYBHMBRSJUQT-UHFFFAOYSA-N 1 2 388.889 2.380 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000189087951 532350779 /nfs/dbraw/zinc/35/07/79/532350779.db2.gz QDUMWKWOHHQXQN-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000189087951 532350780 /nfs/dbraw/zinc/35/07/80/532350780.db2.gz QDUMWKWOHHQXQN-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000189082997 532350846 /nfs/dbraw/zinc/35/08/46/532350846.db2.gz VOQPIFQFIODARP-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000189082997 532350847 /nfs/dbraw/zinc/35/08/47/532350847.db2.gz VOQPIFQFIODARP-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)c2csc(Cl)c2)CC1 ZINC000189249505 532351564 /nfs/dbraw/zinc/35/15/64/532351564.db2.gz OMFUYEQQLCGOSW-UHFFFAOYSA-N 1 2 378.885 2.428 20 0 GEADLO CCCN1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)CC1=O ZINC000189372178 532351860 /nfs/dbraw/zinc/35/18/60/532351860.db2.gz GZTHASUOLWWKHB-UHFFFAOYSA-N 1 2 396.329 2.352 20 0 GEADLO CCCN1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)CC1=O ZINC000189372178 532351861 /nfs/dbraw/zinc/35/18/61/532351861.db2.gz GZTHASUOLWWKHB-UHFFFAOYSA-N 1 2 396.329 2.352 20 0 GEADLO C[C@H](c1nnnn1C)N1CC[NH+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC000189424052 532352071 /nfs/dbraw/zinc/35/20/71/532352071.db2.gz BLXBSCDTPIPHPG-CHWSQXEVSA-N 1 2 379.306 2.412 20 0 GEADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCCc1ccc(Br)cc1OC ZINC000189567657 532352743 /nfs/dbraw/zinc/35/27/43/532352743.db2.gz KBKCHRSDYZVAPX-GOEBONIOSA-N 1 2 386.286 2.389 20 0 GEADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCCc1ccc(Br)cc1OC ZINC000189567657 532352744 /nfs/dbraw/zinc/35/27/44/532352744.db2.gz KBKCHRSDYZVAPX-GOEBONIOSA-N 1 2 386.286 2.389 20 0 GEADLO C[C@@H](c1nnnn1C)[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000189648510 532353169 /nfs/dbraw/zinc/35/31/69/532353169.db2.gz RYGUZOSSDYCGMZ-NSHDSACASA-N 1 2 393.289 2.384 20 0 GEADLO O=C(CN1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1)Nc1ccc(Cl)cc1 ZINC000189759680 532353601 /nfs/dbraw/zinc/35/36/01/532353601.db2.gz JBXAXTHXJDACDP-AWEZNQCLSA-N 1 2 379.810 2.209 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H](CO)O1 ZINC000190106506 532354980 /nfs/dbraw/zinc/35/49/80/532354980.db2.gz VINZNCFHBHSORV-MLGOLLRUSA-N 1 2 378.270 2.488 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H](CO)O1 ZINC000190106506 532354981 /nfs/dbraw/zinc/35/49/81/532354981.db2.gz VINZNCFHBHSORV-MLGOLLRUSA-N 1 2 378.270 2.488 20 0 GEADLO CC1(C)C[N@H+](CCNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)CCO1 ZINC000190176219 532355181 /nfs/dbraw/zinc/35/51/81/532355181.db2.gz VMKMOCUCYDFNTQ-UHFFFAOYSA-N 1 2 380.432 2.181 20 0 GEADLO CC1(C)C[N@@H+](CCNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)CCO1 ZINC000190176219 532355182 /nfs/dbraw/zinc/35/51/82/532355182.db2.gz VMKMOCUCYDFNTQ-UHFFFAOYSA-N 1 2 380.432 2.181 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000190379227 532355859 /nfs/dbraw/zinc/35/58/59/532355859.db2.gz QFBMMGTWTQCHDW-HIFRSBDPSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000190379227 532355860 /nfs/dbraw/zinc/35/58/60/532355860.db2.gz QFBMMGTWTQCHDW-HIFRSBDPSA-N 1 2 376.469 2.398 20 0 GEADLO FC(F)(F)Cn1nnnc1CN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000190792982 532357920 /nfs/dbraw/zinc/35/79/20/532357920.db2.gz PQSYLWHZKMDCCG-UHFFFAOYSA-N 1 2 380.827 2.268 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)N1Cc2cccc(Br)c2C1 ZINC000187380932 532344309 /nfs/dbraw/zinc/34/43/09/532344309.db2.gz DZINPZMXFXRWJO-UHFFFAOYSA-N 1 2 376.210 2.334 20 0 GEADLO CCc1c(NC(=O)[C@H]2C[NH2+]CCO2)[nH]nc1-c1ccc(Br)cc1 ZINC000187761887 532345452 /nfs/dbraw/zinc/34/54/52/532345452.db2.gz HYGOYXLNKMZASN-CYBMUJFWSA-N 1 2 379.258 2.329 20 0 GEADLO CCN(C(=O)C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000463444353 532372749 /nfs/dbraw/zinc/37/27/49/532372749.db2.gz RGWZOOMATZNQDN-MCIONIFRSA-N 1 2 384.464 2.075 20 0 GEADLO CCN(C(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000463444353 532372759 /nfs/dbraw/zinc/37/27/59/532372759.db2.gz RGWZOOMATZNQDN-MCIONIFRSA-N 1 2 384.464 2.075 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000294674275 532376013 /nfs/dbraw/zinc/37/60/13/532376013.db2.gz SLWMRBJUWZOOFM-AWEZNQCLSA-N 1 2 375.372 2.312 20 0 GEADLO Cn1cc(Br)cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c1=O ZINC000371918638 532361899 /nfs/dbraw/zinc/36/18/99/532361899.db2.gz ODQOULIFMBYZCY-OAHLLOKOSA-N 1 2 376.254 2.361 20 0 GEADLO Cn1cc(Br)cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c1=O ZINC000371918638 532361901 /nfs/dbraw/zinc/36/19/01/532361901.db2.gz ODQOULIFMBYZCY-OAHLLOKOSA-N 1 2 376.254 2.361 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000557423792 532364727 /nfs/dbraw/zinc/36/47/27/532364727.db2.gz AJCJVMKPUZTZTJ-GFCCVEGCSA-N 1 2 391.269 2.271 20 0 GEADLO Cc1sccc1C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000294571418 532367280 /nfs/dbraw/zinc/36/72/80/532367280.db2.gz PFSBCOFDRQVAAR-UHFFFAOYSA-N 1 2 379.507 2.245 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)[C@@H](C)C1 ZINC000557537639 532367762 /nfs/dbraw/zinc/36/77/62/532367762.db2.gz QVKMRZTVDVLYKL-AWEZNQCLSA-N 1 2 385.555 2.089 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)[C@@H](C)C1 ZINC000557537639 532367768 /nfs/dbraw/zinc/36/77/68/532367768.db2.gz QVKMRZTVDVLYKL-AWEZNQCLSA-N 1 2 385.555 2.089 20 0 GEADLO CS(=O)(=O)CC1(CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000294574196 532368003 /nfs/dbraw/zinc/36/80/03/532368003.db2.gz YFDPRWKKYLDOLD-UHFFFAOYSA-N 1 2 381.885 2.357 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000278006316 532368937 /nfs/dbraw/zinc/36/89/37/532368937.db2.gz SCNOUAOBRKGDNF-ZDUSSCGKSA-N 1 2 383.286 2.197 20 0 GEADLO O=S(=O)(Nc1nccs1)c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000647147994 532370684 /nfs/dbraw/zinc/37/06/84/532370684.db2.gz CVXKXSXNAMCYQV-GFCCVEGCSA-N 1 2 377.451 2.418 20 0 GEADLO CN(C)c1nccc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)n1 ZINC000558015924 532380653 /nfs/dbraw/zinc/38/06/53/532380653.db2.gz YRGASWCAGXDQET-UHFFFAOYSA-N 1 2 388.273 2.176 20 0 GEADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1cccc2cccc(Br)c21 ZINC000425288438 532380923 /nfs/dbraw/zinc/38/09/23/532380923.db2.gz BGBUQUTVPCZVKW-CQSZACIVSA-N 1 2 393.281 2.025 20 0 GEADLO CC[C@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)Oc1cccc(Cl)c1 ZINC000463843940 532383300 /nfs/dbraw/zinc/38/33/00/532383300.db2.gz AGPMCCHVSNDIKA-MRXNPFEDSA-N 1 2 390.933 2.139 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000516306996 532384462 /nfs/dbraw/zinc/38/44/62/532384462.db2.gz HXCRWESVFFXLBE-UHFFFAOYSA-N 1 2 396.738 2.121 20 0 GEADLO O=C1[C@H]([N@@H+]2CCO[C@]3(CCOC3)C2)CCN1c1cccc(Br)c1 ZINC000192077134 532384644 /nfs/dbraw/zinc/38/46/44/532384644.db2.gz LQBQDZYJYMWOEO-NVXWUHKLSA-N 1 2 381.270 2.046 20 0 GEADLO O=C1[C@H]([N@H+]2CCO[C@]3(CCOC3)C2)CCN1c1cccc(Br)c1 ZINC000192077134 532384649 /nfs/dbraw/zinc/38/46/49/532384649.db2.gz LQBQDZYJYMWOEO-NVXWUHKLSA-N 1 2 381.270 2.046 20 0 GEADLO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC000425408964 532385256 /nfs/dbraw/zinc/38/52/56/532385256.db2.gz UCIKXOCKTZDXOP-UHFFFAOYSA-N 1 2 387.571 2.077 20 0 GEADLO COc1ccccc1C[N@H+](CCO)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425396669 532385427 /nfs/dbraw/zinc/38/54/27/532385427.db2.gz PULGMOCHLVJUMQ-UHFFFAOYSA-N 1 2 384.523 2.002 20 0 GEADLO COc1ccccc1C[N@@H+](CCO)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425396669 532385435 /nfs/dbraw/zinc/38/54/35/532385435.db2.gz PULGMOCHLVJUMQ-UHFFFAOYSA-N 1 2 384.523 2.002 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000463868517 532385582 /nfs/dbraw/zinc/38/55/82/532385582.db2.gz DWCOSRAENOIFLL-UHFFFAOYSA-N 1 2 393.336 2.404 20 0 GEADLO CO[C@@H](C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CC1 ZINC000425388387 532385695 /nfs/dbraw/zinc/38/56/95/532385695.db2.gz WVLUFJFWQHSWNV-INIZCTEOSA-N 1 2 376.881 2.210 20 0 GEADLO CCC1(CC)CN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CCS1(=O)=O ZINC000464008752 532387465 /nfs/dbraw/zinc/38/74/65/532387465.db2.gz WFTHJQPCMFPKCH-OAHLLOKOSA-N 1 2 387.571 2.350 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2nc(-c3ccsc3)no2)C1)C1CC1 ZINC000558174462 532388632 /nfs/dbraw/zinc/38/86/32/532388632.db2.gz PWVUJVQHOYVQBZ-GFCCVEGCSA-N 1 2 382.511 2.092 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)C1)C1CC1 ZINC000558174462 532388638 /nfs/dbraw/zinc/38/86/38/532388638.db2.gz PWVUJVQHOYVQBZ-GFCCVEGCSA-N 1 2 382.511 2.092 20 0 GEADLO O=C(C[N@H+]1CCc2c(Br)cccc2C1)N1CCOC[C@H]1C1CC1 ZINC000677982414 532390316 /nfs/dbraw/zinc/39/03/16/532390316.db2.gz PZPTVTBIDBUSSK-KRWDZBQOSA-N 1 2 379.298 2.445 20 0 GEADLO O=C(C[N@@H+]1CCc2c(Br)cccc2C1)N1CCOC[C@H]1C1CC1 ZINC000677982414 532390322 /nfs/dbraw/zinc/39/03/22/532390322.db2.gz PZPTVTBIDBUSSK-KRWDZBQOSA-N 1 2 379.298 2.445 20 0 GEADLO Cc1nc(N2CC[NH+](Cc3cccc(NS(C)(=O)=O)c3)CC2)sc1C ZINC000678282197 532392342 /nfs/dbraw/zinc/39/23/42/532392342.db2.gz PMENKZZLXOLYDC-UHFFFAOYSA-N 1 2 380.539 2.454 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)Cn2cncn2)CC1 ZINC000590912248 532393172 /nfs/dbraw/zinc/39/31/72/532393172.db2.gz CLGLKVKJMSTLRT-INIZCTEOSA-N 1 2 392.301 2.336 20 0 GEADLO CCC1(CC)C[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)CC[S@@]1=O ZINC000192192741 532393612 /nfs/dbraw/zinc/39/36/12/532393612.db2.gz UOAAKLZCXXDNCS-DEOSSOPVSA-N 1 2 386.583 2.071 20 0 GEADLO CCC1(CC)C[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)CC[S@@]1=O ZINC000192192741 532393619 /nfs/dbraw/zinc/39/36/19/532393619.db2.gz UOAAKLZCXXDNCS-DEOSSOPVSA-N 1 2 386.583 2.071 20 0 GEADLO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1nc(C)c(Br)s1 ZINC000678487627 532396246 /nfs/dbraw/zinc/39/62/46/532396246.db2.gz HSUNLCNOXDSOGC-SNVBAGLBSA-N 1 2 382.349 2.367 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccc(F)cc1Br)C2 ZINC000372627289 532398857 /nfs/dbraw/zinc/39/88/57/532398857.db2.gz YJSIMOWCCNUIJM-NSHDSACASA-N 1 2 388.262 2.386 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C)S(=O)(=O)CC1)c1ccsc1 ZINC000192304247 532400805 /nfs/dbraw/zinc/40/08/05/532400805.db2.gz SPNXBFAFKGHZLQ-GOEBONIOSA-N 1 2 387.571 2.350 20 0 GEADLO COC(=O)CNC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000559480438 532403394 /nfs/dbraw/zinc/40/33/94/532403394.db2.gz WKLKINSUFMVOSJ-AWEZNQCLSA-N 1 2 383.286 2.135 20 0 GEADLO COC(=O)CNC(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000559480438 532403398 /nfs/dbraw/zinc/40/33/98/532403398.db2.gz WKLKINSUFMVOSJ-AWEZNQCLSA-N 1 2 383.286 2.135 20 0 GEADLO CCc1nc(C[N@@H+]2CCCN(C(=O)NCCOCC(F)F)CC2)cs1 ZINC000372715040 532403499 /nfs/dbraw/zinc/40/34/99/532403499.db2.gz LYDDSQMFOFEJBE-UHFFFAOYSA-N 1 2 376.473 2.205 20 0 GEADLO CCc1nc(C[N@H+]2CCCN(C(=O)NCCOCC(F)F)CC2)cs1 ZINC000372715040 532403505 /nfs/dbraw/zinc/40/35/05/532403505.db2.gz LYDDSQMFOFEJBE-UHFFFAOYSA-N 1 2 376.473 2.205 20 0 GEADLO CSc1cc(Br)ccc1C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000372742990 532405971 /nfs/dbraw/zinc/40/59/71/532405971.db2.gz RJVSRJNLUUHKAA-LBPRGKRZSA-N 1 2 379.345 2.424 20 0 GEADLO CSc1cc(Br)ccc1C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000372742990 532405975 /nfs/dbraw/zinc/40/59/75/532405975.db2.gz RJVSRJNLUUHKAA-LBPRGKRZSA-N 1 2 379.345 2.424 20 0 GEADLO CCC(F)(F)C(C)(C)CS(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000625016947 532404022 /nfs/dbraw/zinc/40/40/22/532404022.db2.gz IODKWNNWTNWXIX-HNNXBMFYSA-N 1 2 383.549 2.249 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000679473367 532404833 /nfs/dbraw/zinc/40/48/33/532404833.db2.gz XGNAPKKZHHXMFJ-HZPDHXFCSA-N 1 2 393.336 2.354 20 0 GEADLO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000464767662 532405048 /nfs/dbraw/zinc/40/50/48/532405048.db2.gz AAAXBNRRJNNJRB-JKSUJKDBSA-N 1 2 384.567 2.312 20 0 GEADLO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000464767662 532405054 /nfs/dbraw/zinc/40/50/54/532405054.db2.gz AAAXBNRRJNNJRB-JKSUJKDBSA-N 1 2 384.567 2.312 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000679473366 532405585 /nfs/dbraw/zinc/40/55/85/532405585.db2.gz XGNAPKKZHHXMFJ-HOTGVXAUSA-N 1 2 393.336 2.354 20 0 GEADLO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000372742823 532406723 /nfs/dbraw/zinc/40/67/23/532406723.db2.gz QXBYFDXNZYBHKS-AWEZNQCLSA-N 1 2 386.880 2.226 20 0 GEADLO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000372742823 532406727 /nfs/dbraw/zinc/40/67/27/532406727.db2.gz QXBYFDXNZYBHKS-AWEZNQCLSA-N 1 2 386.880 2.226 20 0 GEADLO Cc1nc(N)c(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)c[nH+]1 ZINC000517191111 532407528 /nfs/dbraw/zinc/40/75/28/532407528.db2.gz PAGLISFJXDKOSL-UHFFFAOYSA-N 1 2 387.241 2.245 20 0 GEADLO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000680132878 532409238 /nfs/dbraw/zinc/40/92/38/532409238.db2.gz XPTYPBRTQQLXSV-LBPRGKRZSA-N 1 2 375.281 2.241 20 0 GEADLO C[C@H](NCc1ccc(F)cc1I)[C@@H]1C[N@H+](C)CCO1 ZINC000591356026 532409493 /nfs/dbraw/zinc/40/94/93/532409493.db2.gz IKCCXLUTXNIIDC-HZMBPMFUSA-N 1 2 378.229 2.239 20 0 GEADLO C[C@H](NCc1ccc(F)cc1I)[C@@H]1C[N@@H+](C)CCO1 ZINC000591356026 532409502 /nfs/dbraw/zinc/40/95/02/532409502.db2.gz IKCCXLUTXNIIDC-HZMBPMFUSA-N 1 2 378.229 2.239 20 0 GEADLO CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)n1 ZINC000517229153 532410242 /nfs/dbraw/zinc/41/02/42/532410242.db2.gz HBHDEUCEWUTLOP-CYBMUJFWSA-N 1 2 391.317 2.489 20 0 GEADLO CN(C)c1nc(N)nc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)n1 ZINC000517229153 532410247 /nfs/dbraw/zinc/41/02/47/532410247.db2.gz HBHDEUCEWUTLOP-CYBMUJFWSA-N 1 2 391.317 2.489 20 0 GEADLO CN(C(=O)C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000464990145 532408889 /nfs/dbraw/zinc/40/88/89/532408889.db2.gz YTUDKVBBGMUFIX-INIZCTEOSA-N 1 2 382.302 2.356 20 0 GEADLO CN(C)c1cc[nH+]c(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)c1 ZINC000680260346 532411393 /nfs/dbraw/zinc/41/13/93/532411393.db2.gz VATAEUOFPDKGSE-UHFFFAOYSA-N 1 2 391.225 2.493 20 0 GEADLO CC1(C)C[C@@H](S(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CO1 ZINC000625153201 532414464 /nfs/dbraw/zinc/41/44/64/532414464.db2.gz PVDXWXJANIPCLV-IAGOWNOFSA-N 1 2 384.567 2.091 20 0 GEADLO CC1(C)C[C@@H](S(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CO1 ZINC000625153201 532414467 /nfs/dbraw/zinc/41/44/67/532414467.db2.gz PVDXWXJANIPCLV-IAGOWNOFSA-N 1 2 384.567 2.091 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427121369 532413492 /nfs/dbraw/zinc/41/34/92/532413492.db2.gz XRHFQNLBKIVNQM-QMMMGPOBSA-N 1 2 387.184 2.067 20 0 GEADLO NC(=O)[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)c1ccccn1 ZINC000295190071 532416673 /nfs/dbraw/zinc/41/66/73/532416673.db2.gz XCYOWGZVMIOLFB-OAHLLOKOSA-N 1 2 392.253 2.322 20 0 GEADLO Cc1ncsc1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000591541673 532415067 /nfs/dbraw/zinc/41/50/67/532415067.db2.gz DHHBVOUOKWHYOS-CQSZACIVSA-N 1 2 379.555 2.301 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2ccc(SCC[C@H]3CCCCO3)nc2)CC1 ZINC000680498765 532415144 /nfs/dbraw/zinc/41/51/44/532415144.db2.gz JGQCBKURKGZBFU-OAHLLOKOSA-N 1 2 385.555 2.069 20 0 GEADLO C[C@@H](NC(=O)c1c[nH]c2ncc(Br)cc12)[C@@H](C)[NH+]1CCOCC1 ZINC000280920846 532415455 /nfs/dbraw/zinc/41/54/55/532415455.db2.gz ODNSVPPUDOWUAV-GHMZBOCLSA-N 1 2 381.274 2.164 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccccc1Br)[C@@H]1CCn2c[nH+]cc2C1 ZINC000372868809 532415964 /nfs/dbraw/zinc/41/59/64/532415964.db2.gz AFPNKZSHFONGCR-DZGCQCFKSA-N 1 2 392.297 2.175 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C[C@H]1C ZINC000680507453 532416617 /nfs/dbraw/zinc/41/66/17/532416617.db2.gz GRAGLOYTOGOFLQ-LLVKDONJSA-N 1 2 389.315 2.099 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C[C@H]1C ZINC000680507453 532416618 /nfs/dbraw/zinc/41/66/18/532416618.db2.gz GRAGLOYTOGOFLQ-LLVKDONJSA-N 1 2 389.315 2.099 20 0 GEADLO C[C@H](c1ccc(C[NH+]2CCN(S(=O)(=O)N(C)C)CC2)cc1)C(F)(F)F ZINC000649242699 532418461 /nfs/dbraw/zinc/41/84/61/532418461.db2.gz RJFKEFACTQWBQM-CYBMUJFWSA-N 1 2 379.448 2.276 20 0 GEADLO CCn1nc2c(cc1=O)C[N@H+](Cc1ccc(OC)c(O)c1Br)CC2 ZINC000680651425 532418965 /nfs/dbraw/zinc/41/89/65/532418965.db2.gz VUBQRDXTKYJLJW-UHFFFAOYSA-N 1 2 394.269 2.298 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)n1 ZINC000295216753 532418896 /nfs/dbraw/zinc/41/88/96/532418896.db2.gz XIKOFODBYTUAKD-VHSXEESVSA-N 1 2 379.404 2.460 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)n1 ZINC000295216753 532418899 /nfs/dbraw/zinc/41/88/99/532418899.db2.gz XIKOFODBYTUAKD-VHSXEESVSA-N 1 2 379.404 2.460 20 0 GEADLO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(OC)c(O)c1Br)CC2 ZINC000680651425 532418962 /nfs/dbraw/zinc/41/89/62/532418962.db2.gz VUBQRDXTKYJLJW-UHFFFAOYSA-N 1 2 394.269 2.298 20 0 GEADLO Cc1nnc(CNC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)o1 ZINC000680603659 532419254 /nfs/dbraw/zinc/41/92/54/532419254.db2.gz KXCAKRGWEQYQMG-UHFFFAOYSA-N 1 2 379.218 2.096 20 0 GEADLO CCN1CCC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1=O ZINC000625363430 532421183 /nfs/dbraw/zinc/42/11/83/532421183.db2.gz YXOHLMCKPWVWCE-HNNXBMFYSA-N 1 2 380.286 2.257 20 0 GEADLO CCN1CCC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1=O ZINC000625363430 532421187 /nfs/dbraw/zinc/42/11/87/532421187.db2.gz YXOHLMCKPWVWCE-HNNXBMFYSA-N 1 2 380.286 2.257 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000295224452 532420665 /nfs/dbraw/zinc/42/06/65/532420665.db2.gz CAXJZQWIYKQDQF-UHFFFAOYSA-N 1 2 382.302 2.110 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000466216718 532423825 /nfs/dbraw/zinc/42/38/25/532423825.db2.gz NRBMCWGKVYGEHE-QGZVFWFLSA-N 1 2 382.917 2.428 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000466216718 532423831 /nfs/dbraw/zinc/42/38/31/532423831.db2.gz NRBMCWGKVYGEHE-QGZVFWFLSA-N 1 2 382.917 2.428 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000591808726 532424479 /nfs/dbraw/zinc/42/44/79/532424479.db2.gz LAKKBEUGNWOFJG-CQSZACIVSA-N 1 2 378.274 2.086 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000591808726 532424482 /nfs/dbraw/zinc/42/44/82/532424482.db2.gz LAKKBEUGNWOFJG-CQSZACIVSA-N 1 2 378.274 2.086 20 0 GEADLO Cc1ccc(Br)c(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)c1 ZINC000295247055 532426335 /nfs/dbraw/zinc/42/63/35/532426335.db2.gz VZACEESDAGILHQ-UHFFFAOYSA-N 1 2 387.303 2.316 20 0 GEADLO C[C@@H](C(=O)N(CCO)Cc1cc(Br)cs1)[NH+]1CCSCC1 ZINC000427539546 532426402 /nfs/dbraw/zinc/42/64/02/532426402.db2.gz IKQVSQLHYYIHHI-NSHDSACASA-N 1 2 393.372 2.269 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CC1 ZINC000373028611 532426702 /nfs/dbraw/zinc/42/67/02/532426702.db2.gz YVYDNIUCBUFBSM-UHFFFAOYSA-N 1 2 381.527 2.263 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000517829286 532428708 /nfs/dbraw/zinc/42/87/08/532428708.db2.gz BSNAXMJXOQTHCY-LBPRGKRZSA-N 1 2 393.285 2.290 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000517829286 532428716 /nfs/dbraw/zinc/42/87/16/532428716.db2.gz BSNAXMJXOQTHCY-LBPRGKRZSA-N 1 2 393.285 2.290 20 0 GEADLO COCCOc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cn1 ZINC000517934177 532430883 /nfs/dbraw/zinc/43/08/83/532430883.db2.gz PHLMDNWGEAFCKT-MRXNPFEDSA-N 1 2 394.269 2.186 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000518091368 532435240 /nfs/dbraw/zinc/43/52/40/532435240.db2.gz LGCLPKAZPMMGCA-GASCZTMLSA-N 1 2 388.555 2.021 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000518091369 532435468 /nfs/dbraw/zinc/43/54/68/532435468.db2.gz LGCLPKAZPMMGCA-GJZGRUSLSA-N 1 2 388.555 2.021 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)CN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000592002928 532432674 /nfs/dbraw/zinc/43/26/74/532432674.db2.gz OIUBAFWNHAJWBL-ZJUUUORDSA-N 1 2 383.217 2.497 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132591 532433174 /nfs/dbraw/zinc/43/31/74/532433174.db2.gz PTRYARIDQJPQCG-RISCZKNCSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132591 532433180 /nfs/dbraw/zinc/43/31/80/532433180.db2.gz PTRYARIDQJPQCG-RISCZKNCSA-N 1 2 376.266 2.359 20 0 GEADLO CC1(C)NC(=O)N(CC[N@@H+]2CCc3cc(F)cc(Br)c3C2)C1=O ZINC000626132063 532433717 /nfs/dbraw/zinc/43/37/17/532433717.db2.gz TUISFQYXPAOJOE-UHFFFAOYSA-N 1 2 384.249 2.277 20 0 GEADLO CC1(C)NC(=O)N(CC[N@H+]2CCc3cc(F)cc(Br)c3C2)C1=O ZINC000626132063 532433724 /nfs/dbraw/zinc/43/37/24/532433724.db2.gz TUISFQYXPAOJOE-UHFFFAOYSA-N 1 2 384.249 2.277 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000518091368 532435236 /nfs/dbraw/zinc/43/52/36/532435236.db2.gz LGCLPKAZPMMGCA-GASCZTMLSA-N 1 2 388.555 2.021 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc3sc(N4CCCC4)nc3s2)CC1 ZINC000282063670 532441291 /nfs/dbraw/zinc/44/12/91/532441291.db2.gz ZPRSWCBIQWCGPC-GFCCVEGCSA-N 1 2 380.539 2.097 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)COc3c(Cl)cccc3Cl)CC2)cn1 ZINC000592065494 532437950 /nfs/dbraw/zinc/43/79/50/532437950.db2.gz GXPFZWGXQBTMMD-UHFFFAOYSA-N 1 2 383.279 2.450 20 0 GEADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000373262491 532438776 /nfs/dbraw/zinc/43/87/76/532438776.db2.gz XJHWFXBQUYFMAV-MGPQQGTHSA-N 1 2 381.929 2.318 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1c(F)cccc1I ZINC000427991237 532439078 /nfs/dbraw/zinc/43/90/78/532439078.db2.gz JXFBELHYKYUAMA-SECBINFHSA-N 1 2 385.180 2.372 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000592208792 532441439 /nfs/dbraw/zinc/44/14/39/532441439.db2.gz PIYXMHMFZUMIEN-PWSUYJOCSA-N 1 2 392.677 2.337 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000592208792 532441444 /nfs/dbraw/zinc/44/14/44/532441444.db2.gz PIYXMHMFZUMIEN-PWSUYJOCSA-N 1 2 392.677 2.337 20 0 GEADLO O=S(=O)(NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1Br ZINC000281856546 532440107 /nfs/dbraw/zinc/44/01/07/532440107.db2.gz MKPKQPVBZWWOHS-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO Cc1cn2c([nH+]1)CN(C[C@H](O)COc1cc(F)cc(Br)c1)CC2 ZINC000682219185 532444178 /nfs/dbraw/zinc/44/41/78/532444178.db2.gz PAZRLBKDZUTIBD-AWEZNQCLSA-N 1 2 384.249 2.349 20 0 GEADLO Cn1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2cc(Cl)ccc2Cl)nc1N ZINC000295426410 532445388 /nfs/dbraw/zinc/44/53/88/532445388.db2.gz UOSSYRLSWQRCKX-YPMHNXCESA-N 1 2 386.283 2.281 20 0 GEADLO Cn1nc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2cc(Cl)ccc2Cl)nc1N ZINC000295426410 532445393 /nfs/dbraw/zinc/44/53/93/532445393.db2.gz UOSSYRLSWQRCKX-YPMHNXCESA-N 1 2 386.283 2.281 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000518846567 532446984 /nfs/dbraw/zinc/44/69/84/532446984.db2.gz ARQUIODQKFKHLP-LBPRGKRZSA-N 1 2 381.278 2.277 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000518848967 532447401 /nfs/dbraw/zinc/44/74/01/532447401.db2.gz KJVPECRQGLNAFA-UHFFFAOYSA-N 1 2 396.310 2.181 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000518848967 532447405 /nfs/dbraw/zinc/44/74/05/532447405.db2.gz KJVPECRQGLNAFA-UHFFFAOYSA-N 1 2 396.310 2.181 20 0 GEADLO CNc1[nH+]cnc2c1cnn2CC(=O)Nc1ccc(Br)cc1F ZINC000194422056 532448712 /nfs/dbraw/zinc/44/87/12/532448712.db2.gz HRAYQCJZEAHUIE-UHFFFAOYSA-N 1 2 379.193 2.408 20 0 GEADLO CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000592371455 532452040 /nfs/dbraw/zinc/45/20/40/532452040.db2.gz PWVZZHHXLZCBBR-ZBFHGGJFSA-N 1 2 381.567 2.340 20 0 GEADLO O=C([C@H]1CCc2[nH+]ccn2C1)N(CCO)Cc1ccc(Br)s1 ZINC000682992648 532452215 /nfs/dbraw/zinc/45/22/15/532452215.db2.gz GBUKNDCYDPXVGW-NSHDSACASA-N 1 2 384.299 2.291 20 0 GEADLO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000561774680 532452336 /nfs/dbraw/zinc/45/23/36/532452336.db2.gz YWLNUJVLRFFZGH-FZMZJTMJSA-N 1 2 382.233 2.197 20 0 GEADLO O=C(CO)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000518989147 532452671 /nfs/dbraw/zinc/45/26/71/532452671.db2.gz IAJHSNBCMMCVLV-UHFFFAOYSA-N 1 2 379.254 2.346 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cc(F)c(Br)cc1C)CC2 ZINC000373512291 532454632 /nfs/dbraw/zinc/45/46/32/532454632.db2.gz JDXOWLAJWAMWNK-UHFFFAOYSA-N 1 2 395.232 2.382 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)CSCc2ccc(Br)cc2)CC1 ZINC000428505084 532454759 /nfs/dbraw/zinc/45/47/59/532454759.db2.gz YNZLEXHJBLQUPE-ZDUSSCGKSA-N 1 2 387.343 2.207 20 0 GEADLO O=C(CCOc1cccc(I)c1)N1CC(n2cc[nH+]c2)C1 ZINC000562342919 532462374 /nfs/dbraw/zinc/46/23/74/532462374.db2.gz GMFHYQLUVYIBTA-UHFFFAOYSA-N 1 2 397.216 2.340 20 0 GEADLO CC1(CNC(=O)c2cc(S(C)(=O)=O)cs2)C[NH+](Cc2ccccc2)C1 ZINC000373588400 532458345 /nfs/dbraw/zinc/45/83/45/532458345.db2.gz LTRCVOLHBKGAHQ-UHFFFAOYSA-N 1 2 378.519 2.404 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000295592454 532460758 /nfs/dbraw/zinc/46/07/58/532460758.db2.gz HVACPDSKIXDPPL-GFCCVEGCSA-N 1 2 391.269 2.335 20 0 GEADLO Cc1c(NC(=O)[C@H]([NH3+])c2cscn2)cccc1C(=O)N1CCSCC1 ZINC000519385025 532461540 /nfs/dbraw/zinc/46/15/40/532461540.db2.gz HYVQBYHJYMHKRA-OAHLLOKOSA-N 1 2 376.507 2.279 20 0 GEADLO C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ncc(Br)cn1 ZINC000562407835 532464602 /nfs/dbraw/zinc/46/46/02/532464602.db2.gz HNPVLHVMNZTMOZ-WDEREUQCSA-N 1 2 379.262 2.233 20 0 GEADLO C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ncc(Br)cn1 ZINC000562400072 532464792 /nfs/dbraw/zinc/46/47/92/532464792.db2.gz CNJRAOWUCADLDH-LLVKDONJSA-N 1 2 393.289 2.375 20 0 GEADLO CN1C[C@H]([N@H+](C)Cc2cn(-c3ccccc3Br)nn2)CCC1=O ZINC000628368814 532465269 /nfs/dbraw/zinc/46/52/69/532465269.db2.gz AELJMTGFSSKTFC-CYBMUJFWSA-N 1 2 378.274 2.082 20 0 GEADLO CN1C[C@H]([N@@H+](C)Cc2cn(-c3ccccc3Br)nn2)CCC1=O ZINC000628368814 532465273 /nfs/dbraw/zinc/46/52/73/532465273.db2.gz AELJMTGFSSKTFC-CYBMUJFWSA-N 1 2 378.274 2.082 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ncc(Br)c2ccc(F)cc21 ZINC000651326053 532465737 /nfs/dbraw/zinc/46/57/37/532465737.db2.gz YHULVVPIYQGISL-ZDUSSCGKSA-N 1 2 398.276 2.266 20 0 GEADLO C[C@@H](c1nnnn1C)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000373739205 532466060 /nfs/dbraw/zinc/46/60/60/532466060.db2.gz VHDSZAVASSPOJI-NSHDSACASA-N 1 2 393.289 2.384 20 0 GEADLO O=S(=O)(C1CC[NH+](Cc2cncc(Br)c2)CC1)N1CCCC1 ZINC000282422479 532466869 /nfs/dbraw/zinc/46/68/69/532466869.db2.gz YQSHALWKTJVCGV-UHFFFAOYSA-N 1 2 388.331 2.234 20 0 GEADLO Cn1cc(C[N@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)c(C(F)(F)F)n1 ZINC000562444027 532466911 /nfs/dbraw/zinc/46/69/11/532466911.db2.gz OCGDLAQOFGGMTA-UHFFFAOYSA-N 1 2 396.822 2.372 20 0 GEADLO Cn1cc(C[N@@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)c(C(F)(F)F)n1 ZINC000562444027 532466918 /nfs/dbraw/zinc/46/69/18/532466918.db2.gz OCGDLAQOFGGMTA-UHFFFAOYSA-N 1 2 396.822 2.372 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)NCC(F)(F)F)C1 ZINC000195100891 532469753 /nfs/dbraw/zinc/46/97/53/532469753.db2.gz NSBPCKOMWVYKAZ-ZDUSSCGKSA-N 1 2 379.448 2.405 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2ccccc2CNS(=O)(=O)NCC(F)(F)F)C1 ZINC000195100891 532469755 /nfs/dbraw/zinc/46/97/55/532469755.db2.gz NSBPCKOMWVYKAZ-ZDUSSCGKSA-N 1 2 379.448 2.405 20 0 GEADLO C[C@H](CCNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)[S@](C)=O ZINC000429047242 532470239 /nfs/dbraw/zinc/47/02/39/532470239.db2.gz YLCIVHMHPDKRGY-FZXICVGQSA-N 1 2 383.583 2.060 20 0 GEADLO C[C@H](CCNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)[S@](C)=O ZINC000429047242 532470242 /nfs/dbraw/zinc/47/02/42/532470242.db2.gz YLCIVHMHPDKRGY-FZXICVGQSA-N 1 2 383.583 2.060 20 0 GEADLO CC1(C)NC(=O)N(CCC[N@@H+]2CCOc3c(Br)cccc3C2)C1=O ZINC000684207855 532470958 /nfs/dbraw/zinc/47/09/58/532470958.db2.gz ANEGNKHAGXFOGO-UHFFFAOYSA-N 1 2 396.285 2.364 20 0 GEADLO CC1(C)NC(=O)N(CCC[N@H+]2CCOc3c(Br)cccc3C2)C1=O ZINC000684207855 532470965 /nfs/dbraw/zinc/47/09/65/532470965.db2.gz ANEGNKHAGXFOGO-UHFFFAOYSA-N 1 2 396.285 2.364 20 0 GEADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000562556328 532472253 /nfs/dbraw/zinc/47/22/53/532472253.db2.gz AJUQWUARIODGCH-GFCCVEGCSA-N 1 2 380.495 2.073 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)COc1ccc2ccccc2c1Br ZINC000628922751 532476710 /nfs/dbraw/zinc/47/67/10/532476710.db2.gz OJALIWKEQZOADS-AWEZNQCLSA-N 1 2 393.281 2.428 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)COc1ccc2ccccc2c1Br ZINC000628922751 532476713 /nfs/dbraw/zinc/47/67/13/532476713.db2.gz OJALIWKEQZOADS-AWEZNQCLSA-N 1 2 393.281 2.428 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)C(C)(C)CO ZINC000295813946 532479586 /nfs/dbraw/zinc/47/95/86/532479586.db2.gz UILPLJLETCXBPD-CQSZACIVSA-N 1 2 389.880 2.392 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3C[C@H](O)C3(C)C)[nH+]c12 ZINC000430327850 532496901 /nfs/dbraw/zinc/49/69/01/532496901.db2.gz XVNIJBMXJXXZTQ-KBPBESRZSA-N 1 2 395.301 2.406 20 0 GEADLO O=C(NC[C@H]1CCCOC1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000562926347 532487717 /nfs/dbraw/zinc/48/77/17/532487717.db2.gz BQYJOKKYWHDZNM-GFCCVEGCSA-N 1 2 399.289 2.229 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CSc2n[nH]c(=S)s2)C[C@@H](C)O1 ZINC000374095847 532489195 /nfs/dbraw/zinc/48/91/95/532489195.db2.gz VZBWEAANNOZAQB-UTUOFQBUSA-N 1 2 388.584 2.019 20 0 GEADLO Cc1sc(Br)cc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000228787492 532489949 /nfs/dbraw/zinc/48/99/49/532489949.db2.gz QSNPZRGSGKCFLQ-UHFFFAOYSA-N 1 2 385.374 2.146 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3C[C@@H](O)C3(C)C)[nH+]c12 ZINC000430308710 532495716 /nfs/dbraw/zinc/49/57/16/532495716.db2.gz UMEMNLQKBUVQMD-QWHCGFSZSA-N 1 2 381.274 2.364 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@H]3CCO)[nH+]c12 ZINC000430301336 532496338 /nfs/dbraw/zinc/49/63/38/532496338.db2.gz FLCOZWNGQZFLFD-AWEZNQCLSA-N 1 2 381.274 2.462 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ncsc1C(F)(F)F ZINC000684262972 532474125 /nfs/dbraw/zinc/47/41/25/532474125.db2.gz OIAYEYJNCNXECN-ZDUSSCGKSA-N 1 2 381.445 2.100 20 0 GEADLO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628919463 532476508 /nfs/dbraw/zinc/47/65/08/532476508.db2.gz UHAPXRZMBNUZPU-DOTOQJQBSA-N 1 2 399.329 2.091 20 0 GEADLO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628919463 532476513 /nfs/dbraw/zinc/47/65/13/532476513.db2.gz UHAPXRZMBNUZPU-DOTOQJQBSA-N 1 2 399.329 2.091 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000431097719 532504197 /nfs/dbraw/zinc/50/41/97/532504197.db2.gz AUSFRARLZFYBKR-NXEZZACHSA-N 1 2 381.278 2.267 20 0 GEADLO CC(C)(NC(=O)CCNC(=O)c1ccc(Br)cc1)c1[nH]cc[nH+]1 ZINC000521055959 532504855 /nfs/dbraw/zinc/50/48/55/532504855.db2.gz KHIVKFSELQEYNT-UHFFFAOYSA-N 1 2 379.258 2.344 20 0 GEADLO Cc1ncc2c(n1)CC[N@@H+](C[C@H](O)COc1cccc(Br)c1)C2 ZINC000521185038 532507702 /nfs/dbraw/zinc/50/77/02/532507702.db2.gz ZYEXSWTXWFOTOA-HNNXBMFYSA-N 1 2 378.270 2.346 20 0 GEADLO Cc1ncc2c(n1)CC[N@H+](C[C@H](O)COc1cccc(Br)c1)C2 ZINC000521185038 532507709 /nfs/dbraw/zinc/50/77/09/532507709.db2.gz ZYEXSWTXWFOTOA-HNNXBMFYSA-N 1 2 378.270 2.346 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1C ZINC000469865147 532513532 /nfs/dbraw/zinc/51/35/32/532513532.db2.gz UTIYHLFKMHLZMF-BXUZGUMPSA-N 1 2 390.299 2.106 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1C ZINC000469865147 532513539 /nfs/dbraw/zinc/51/35/39/532513539.db2.gz UTIYHLFKMHLZMF-BXUZGUMPSA-N 1 2 390.299 2.106 20 0 GEADLO COC(=O)[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1C ZINC000469841300 532513870 /nfs/dbraw/zinc/51/38/70/532513870.db2.gz LEVMACQJHJNIRA-FZMZJTMJSA-N 1 2 390.299 2.106 20 0 GEADLO COC(=O)[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1C ZINC000469841300 532513875 /nfs/dbraw/zinc/51/38/75/532513875.db2.gz LEVMACQJHJNIRA-FZMZJTMJSA-N 1 2 390.299 2.106 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000630397381 532516002 /nfs/dbraw/zinc/51/60/02/532516002.db2.gz PRXWSZSLSZBIRH-HNNXBMFYSA-N 1 2 376.284 2.048 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000469979623 532516595 /nfs/dbraw/zinc/51/65/95/532516595.db2.gz YYBJIWVLNWFJGW-UHFFFAOYSA-N 1 2 391.295 2.179 20 0 GEADLO COC(=O)CCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000469985801 532517206 /nfs/dbraw/zinc/51/72/06/532517206.db2.gz YRSBJOPBFOUVMY-UHFFFAOYSA-N 1 2 389.279 2.470 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C(=O)Nc2cccnc2Br)CC1(C)C ZINC000296041205 532497640 /nfs/dbraw/zinc/49/76/40/532497640.db2.gz HYJJOZODZUAGHM-NSHDSACASA-N 1 2 392.257 2.126 20 0 GEADLO O=C(NC[C@H](O)c1cccc(Br)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000374309151 532497718 /nfs/dbraw/zinc/49/77/18/532497718.db2.gz XMHJHEDDWGFVKL-INIZCTEOSA-N 1 2 397.313 2.244 20 0 GEADLO C[C@H](C(=O)N1CC(Cc2ccccc2Br)C1)[NH+]1CCN(C)CC1 ZINC000629607967 532497945 /nfs/dbraw/zinc/49/79/45/532497945.db2.gz TWJYUOKKUAHIGV-CQSZACIVSA-N 1 2 380.330 2.086 20 0 GEADLO CO[C@H](CCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1)C(F)(F)F ZINC000469298631 532499332 /nfs/dbraw/zinc/49/93/32/532499332.db2.gz VKOFXHRARQRVAJ-CYBMUJFWSA-N 1 2 380.436 2.328 20 0 GEADLO CO[C@H](CCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)C(F)(F)F ZINC000469298631 532499336 /nfs/dbraw/zinc/49/93/36/532499336.db2.gz VKOFXHRARQRVAJ-CYBMUJFWSA-N 1 2 380.436 2.328 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000469319452 532500794 /nfs/dbraw/zinc/50/07/94/532500794.db2.gz ZAQUDBFQHRPACQ-OLZOCXBDSA-N 1 2 376.906 2.078 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000469319452 532500797 /nfs/dbraw/zinc/50/07/97/532500797.db2.gz ZAQUDBFQHRPACQ-OLZOCXBDSA-N 1 2 376.906 2.078 20 0 GEADLO COC[C@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000653698518 532540558 /nfs/dbraw/zinc/54/05/58/532540558.db2.gz MBXSYSGKGIGBTO-LBPRGKRZSA-N 1 2 399.289 2.181 20 0 GEADLO CC[C@H]([NH2+]Cc1ncc(Br)cc1Cl)C(=O)N1CCOCC1 ZINC000631086210 532542477 /nfs/dbraw/zinc/54/24/77/532542477.db2.gz OZAUVGRSTFNZMO-LBPRGKRZSA-N 1 2 376.682 2.225 20 0 GEADLO COC(=O)C(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000526970145 532542940 /nfs/dbraw/zinc/54/29/40/532542940.db2.gz VECCQEAUGAQYAY-UHFFFAOYSA-N 1 2 388.917 2.236 20 0 GEADLO NS(=O)(=O)c1cc(C[NH2+]Cc2nccn2CC(F)(F)F)ccc1Cl ZINC000631061795 532542873 /nfs/dbraw/zinc/54/28/73/532542873.db2.gz HPTBMKOGNCTHPE-UHFFFAOYSA-N 1 2 382.795 2.036 20 0 GEADLO C[C@](CO)([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1ccc(Br)cc1 ZINC000631133546 532543708 /nfs/dbraw/zinc/54/37/08/532543708.db2.gz KCLSJCXQEFWFGI-SUMWQHHRSA-N 1 2 395.301 2.074 20 0 GEADLO CCN1CCN(C(=O)Nc2cncc(Br)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000432699270 532544084 /nfs/dbraw/zinc/54/40/84/532544084.db2.gz NPLLGBVGIAFZSC-ZDUSSCGKSA-N 1 2 379.262 2.478 20 0 GEADLO Fc1cc2c(cc1Br)[C@@H]([NH2+]Cc1cn(C[C@H]3CCOC3)nn1)CO2 ZINC000631128672 532544574 /nfs/dbraw/zinc/54/45/74/532544574.db2.gz OEXJZSKHASFKLY-BMIGLBTASA-N 1 2 397.248 2.440 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000630444184 532520112 /nfs/dbraw/zinc/52/01/12/532520112.db2.gz VJMFRAGENIYYIP-ZDUSSCGKSA-N 1 2 379.265 2.082 20 0 GEADLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@H]21)N(Cc1ccco1)CC(F)(F)F ZINC000246900170 532544853 /nfs/dbraw/zinc/54/48/53/532544853.db2.gz MHXBYWGXVYIDIZ-KGLIPLIRSA-N 1 2 378.416 2.377 20 0 GEADLO O=C(C[N@H+]1CCS[C@H]2COCC[C@H]21)N(Cc1ccco1)CC(F)(F)F ZINC000246900170 532544858 /nfs/dbraw/zinc/54/48/58/532544858.db2.gz MHXBYWGXVYIDIZ-KGLIPLIRSA-N 1 2 378.416 2.377 20 0 GEADLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CCSC[C@@H]3CCO)sc2c1 ZINC000470213777 532523492 /nfs/dbraw/zinc/52/34/92/532523492.db2.gz KMASISKONJGHKH-LBPRGKRZSA-N 1 2 381.523 2.433 20 0 GEADLO CCOc1ccc2nc(NC(=O)C[N@H+]3CCSC[C@@H]3CCO)sc2c1 ZINC000470213777 532523497 /nfs/dbraw/zinc/52/34/97/532523497.db2.gz KMASISKONJGHKH-LBPRGKRZSA-N 1 2 381.523 2.433 20 0 GEADLO COCCc1ncc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)s1 ZINC000631125065 532544998 /nfs/dbraw/zinc/54/49/98/532544998.db2.gz XNGFRKPOEBZWNP-CQSZACIVSA-N 1 2 384.299 2.411 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(C)c(Br)cc1F ZINC000296530789 532525886 /nfs/dbraw/zinc/52/58/86/532525886.db2.gz NSPJSPGKEAFIFO-UHFFFAOYSA-N 1 2 383.221 2.368 20 0 GEADLO CCNC(=O)[C@@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)C(C)C ZINC000432070906 532526630 /nfs/dbraw/zinc/52/66/30/532526630.db2.gz CXMCOCSGKYDGQG-AWEZNQCLSA-N 1 2 396.289 2.057 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000246093383 532530321 /nfs/dbraw/zinc/53/03/21/532530321.db2.gz KNSDTWDQMZWPAL-STQMWFEESA-N 1 2 378.897 2.253 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2Cl)CC[N@H+]1C[C@H](C)O ZINC000246093383 532530324 /nfs/dbraw/zinc/53/03/24/532530324.db2.gz KNSDTWDQMZWPAL-STQMWFEESA-N 1 2 378.897 2.253 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[N@@H+]1C[C@H](C)O ZINC000246082863 532530512 /nfs/dbraw/zinc/53/05/12/532530512.db2.gz HMXXANWTMXTCEW-NWDGAFQWSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[N@H+]1C[C@H](C)O ZINC000246082863 532530519 /nfs/dbraw/zinc/53/05/19/532530519.db2.gz HMXXANWTMXTCEW-NWDGAFQWSA-N 1 2 381.325 2.459 20 0 GEADLO Cn1cc(Br)c(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000653080192 532530903 /nfs/dbraw/zinc/53/09/03/532530903.db2.gz IMEMBVDFOKFWNU-UHFFFAOYSA-N 1 2 398.330 2.272 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)cs1 ZINC000594804286 532532029 /nfs/dbraw/zinc/53/20/29/532532029.db2.gz VTGBPKDQJWTIFS-UHFFFAOYSA-N 1 2 381.479 2.008 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000470594713 532532981 /nfs/dbraw/zinc/53/29/81/532532981.db2.gz GZGPLYDCPFTKNK-CYBMUJFWSA-N 1 2 380.432 2.248 20 0 GEADLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246250101 532534594 /nfs/dbraw/zinc/53/45/94/532534594.db2.gz FIPMXWUPJYHXQK-GWCFXTLKSA-N 1 2 377.794 2.444 20 0 GEADLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246250101 532534600 /nfs/dbraw/zinc/53/46/00/532534600.db2.gz FIPMXWUPJYHXQK-GWCFXTLKSA-N 1 2 377.794 2.444 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cc(C)cc(Br)c1)CC2 ZINC000375340464 532549992 /nfs/dbraw/zinc/54/99/92/532549992.db2.gz IEARZUHEUKNHJI-UHFFFAOYSA-N 1 2 377.242 2.243 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000248252190 532550931 /nfs/dbraw/zinc/55/09/31/532550931.db2.gz SQUMUIJHCBAMKM-ZDUSSCGKSA-N 1 2 380.432 2.341 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000248252190 532550937 /nfs/dbraw/zinc/55/09/37/532550937.db2.gz SQUMUIJHCBAMKM-ZDUSSCGKSA-N 1 2 380.432 2.341 20 0 GEADLO O=c1[nH]ccnc1N1CCC[C@@H]([NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527694951 532551185 /nfs/dbraw/zinc/55/11/85/532551185.db2.gz FCZFQWOCQFUSQA-LLVKDONJSA-N 1 2 398.692 2.339 20 0 GEADLO O=C(c1cccc(Cl)c1)N1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000375355328 532551366 /nfs/dbraw/zinc/55/13/66/532551366.db2.gz ONKLEAAQZGIDGS-HNNXBMFYSA-N 1 2 384.929 2.313 20 0 GEADLO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000375355328 532551374 /nfs/dbraw/zinc/55/13/74/532551374.db2.gz ONKLEAAQZGIDGS-HNNXBMFYSA-N 1 2 384.929 2.313 20 0 GEADLO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000432994416 532551513 /nfs/dbraw/zinc/55/15/13/532551513.db2.gz UYNKBSGQLGCRKR-JTQLQIEISA-N 1 2 392.257 2.487 20 0 GEADLO Cc1cc(N2CC[C@H](CO)[C@H](O)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631242958 532551514 /nfs/dbraw/zinc/55/15/14/532551514.db2.gz XVYSFDSZDDAWAY-UKRRQHHQSA-N 1 2 378.270 2.394 20 0 GEADLO Clc1ccc(-n2cc(C[NH2+]C3CN(c4ccncn4)C3)nn2)cc1Cl ZINC000631256301 532551529 /nfs/dbraw/zinc/55/15/29/532551529.db2.gz DFIVHCBBGOTTGC-UHFFFAOYSA-N 1 2 376.251 2.343 20 0 GEADLO COCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000432997137 532552164 /nfs/dbraw/zinc/55/21/64/532552164.db2.gz VWWIRNXPSVFHOC-GFCCVEGCSA-N 1 2 393.285 2.353 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2cccc(NCc3ccncc3Cl)c2)CC1 ZINC000527705985 532552191 /nfs/dbraw/zinc/55/21/91/532552191.db2.gz UETOWIWQVAVFOX-UHFFFAOYSA-N 1 2 380.901 2.283 20 0 GEADLO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ncc(Br)cc2F)C1=O ZINC000527699259 532552371 /nfs/dbraw/zinc/55/23/71/532552371.db2.gz IQXJUDPMBPZUNL-CYBMUJFWSA-N 1 2 396.264 2.485 20 0 GEADLO C[C@H](CNC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000631289117 532552683 /nfs/dbraw/zinc/55/26/83/532552683.db2.gz OLYPOHSSGXAGGZ-BJZITVGISA-N 1 2 394.357 2.479 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000375374494 532552784 /nfs/dbraw/zinc/55/27/84/532552784.db2.gz XSAQNVMFXJGPBY-CYBMUJFWSA-N 1 2 389.253 2.086 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000375374494 532552788 /nfs/dbraw/zinc/55/27/88/532552788.db2.gz XSAQNVMFXJGPBY-CYBMUJFWSA-N 1 2 389.253 2.086 20 0 GEADLO COC(=O)CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)ccc2OC)C1=O ZINC000595292000 532553737 /nfs/dbraw/zinc/55/37/37/532553737.db2.gz NVHWDKIEVAYPOS-CQSZACIVSA-N 1 2 399.285 2.054 20 0 GEADLO COC(=O)CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)ccc2OC)C1=O ZINC000595292000 532553742 /nfs/dbraw/zinc/55/37/42/532553742.db2.gz NVHWDKIEVAYPOS-CQSZACIVSA-N 1 2 399.285 2.054 20 0 GEADLO C[C@]1(Br)C[C@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000527714695 532553889 /nfs/dbraw/zinc/55/38/89/532553889.db2.gz ZYOPSUWQLXYWFK-KSSFIOAISA-N 1 2 395.297 2.276 20 0 GEADLO COC(=O)c1cc(NC(=O)NCCn2cc[nH+]c2)cc(Br)c1F ZINC000433118082 532554979 /nfs/dbraw/zinc/55/49/79/532554979.db2.gz VVVVZTGCXAWKJS-UHFFFAOYSA-N 1 2 385.193 2.393 20 0 GEADLO CC(C)OC[C@@H](CO)[N@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000433174525 532556747 /nfs/dbraw/zinc/55/67/47/532556747.db2.gz JPIFLKVRLVLYTP-CYBMUJFWSA-N 1 2 384.325 2.485 20 0 GEADLO CC(C)OC[C@@H](CO)[N@@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000433174525 532556752 /nfs/dbraw/zinc/55/67/52/532556752.db2.gz JPIFLKVRLVLYTP-CYBMUJFWSA-N 1 2 384.325 2.485 20 0 GEADLO Cc1c[nH]c(C(C)(C)NC(=O)CNC(=O)c2ccc(Br)cc2)[nH+]1 ZINC000565366134 532558586 /nfs/dbraw/zinc/55/85/86/532558586.db2.gz QAIXUYBRMOLVPK-UHFFFAOYSA-N 1 2 379.258 2.262 20 0 GEADLO CCn1nncc1CNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000528064237 532559681 /nfs/dbraw/zinc/55/96/81/532559681.db2.gz MESLXGIODVXNQD-UHFFFAOYSA-N 1 2 392.261 2.016 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)c1cccc(=O)[nH]1 ZINC000654484007 532562949 /nfs/dbraw/zinc/56/29/49/532562949.db2.gz MFBXRKXOCQLXGA-UHFFFAOYSA-N 1 2 379.214 2.034 20 0 GEADLO O=C(NCCOc1ncccc1Cl)NCc1[nH+]ccn1CC(F)(F)F ZINC000471993669 532563529 /nfs/dbraw/zinc/56/35/29/532563529.db2.gz WAMLCCYLGMDEGN-UHFFFAOYSA-N 1 2 377.754 2.372 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000433359731 532565303 /nfs/dbraw/zinc/56/53/03/532565303.db2.gz DCBWUMCSKWXCAC-GFCCVEGCSA-N 1 2 381.325 2.476 20 0 GEADLO COC(=O)CCN1CCC[C@H]([N@@H+]2CCc3cc(Br)ccc3C2)C1=O ZINC000595452582 532566018 /nfs/dbraw/zinc/56/60/18/532566018.db2.gz BRAKWVLHHDBCQO-INIZCTEOSA-N 1 2 395.297 2.361 20 0 GEADLO COC(=O)CCN1CCC[C@H]([N@H+]2CCc3cc(Br)ccc3C2)C1=O ZINC000595452582 532566021 /nfs/dbraw/zinc/56/60/21/532566021.db2.gz BRAKWVLHHDBCQO-INIZCTEOSA-N 1 2 395.297 2.361 20 0 GEADLO O=C(CCc1c(Cl)cccc1Cl)N1CC[NH+](CCn2cncn2)CC1 ZINC000654824094 532570248 /nfs/dbraw/zinc/57/02/48/532570248.db2.gz QHZHLCOYCHZVFL-UHFFFAOYSA-N 1 2 382.295 2.362 20 0 GEADLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000249611912 532568382 /nfs/dbraw/zinc/56/83/82/532568382.db2.gz SGBCIXMZAWLLDG-WQVCFCJDSA-N 1 2 394.313 2.227 20 0 GEADLO C[C@H]1CC[S@@](=O)CCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000432860155 532546825 /nfs/dbraw/zinc/54/68/25/532546825.db2.gz QUTNVOOVPFCOPG-BSNNYGBQSA-N 1 2 399.314 2.149 20 0 GEADLO NS(=O)(=O)c1c(NCCCCn2cc[nH+]c2)cccc1OC(F)(F)F ZINC000631194176 532547512 /nfs/dbraw/zinc/54/75/12/532547512.db2.gz VPCBWPDSHFUMBI-UHFFFAOYSA-N 1 2 378.376 2.321 20 0 GEADLO C[C@H](CNC(=O)c1cc(Br)cnc1N(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654057913 532547718 /nfs/dbraw/zinc/54/77/18/532547718.db2.gz RVAWILRNUKKLFB-UPJWGTAASA-N 1 2 399.333 2.138 20 0 GEADLO C[C@H](CNC(=O)c1cc(Br)cnc1N(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654057913 532547722 /nfs/dbraw/zinc/54/77/22/532547722.db2.gz RVAWILRNUKKLFB-UPJWGTAASA-N 1 2 399.333 2.138 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000471311837 532548054 /nfs/dbraw/zinc/54/80/54/532548054.db2.gz MPHOFMCLCSAQNQ-GJZGRUSLSA-N 1 2 388.555 2.021 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000471311837 532548058 /nfs/dbraw/zinc/54/80/58/532548058.db2.gz MPHOFMCLCSAQNQ-GJZGRUSLSA-N 1 2 388.555 2.021 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000631213167 532548052 /nfs/dbraw/zinc/54/80/52/532548052.db2.gz JSZXDOUYAUPVEB-UHFFFAOYSA-N 1 2 393.285 2.187 20 0 GEADLO COC(=O)c1cccc(Br)c1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000432929206 532548625 /nfs/dbraw/zinc/54/86/25/532548625.db2.gz WLAWIJMPGRGMIP-UHFFFAOYSA-N 1 2 396.285 2.225 20 0 GEADLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2c[nH]c(=O)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000632143765 532582478 /nfs/dbraw/zinc/58/24/78/532582478.db2.gz ZTCZSWKUFJRILN-DGCLKSJQSA-N 1 2 391.877 2.365 20 0 GEADLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2c[nH]c(=O)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000632143765 532582483 /nfs/dbraw/zinc/58/24/83/532582483.db2.gz ZTCZSWKUFJRILN-DGCLKSJQSA-N 1 2 391.877 2.365 20 0 GEADLO CSc1cc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)nc(SC)n1 ZINC000565903451 532584610 /nfs/dbraw/zinc/58/46/10/532584610.db2.gz GUHPBNUYRLAQKR-UHFFFAOYSA-N 1 2 381.571 2.055 20 0 GEADLO C[N@@H+]1CC[C@@H](CNC(=O)CC2CS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000632200386 532588553 /nfs/dbraw/zinc/58/85/53/532588553.db2.gz GFKZKVOQVIWSCQ-GUYCJALGSA-N 1 2 388.892 2.023 20 0 GEADLO C[N@H+]1CC[C@@H](CNC(=O)CC2CS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000632200386 532588559 /nfs/dbraw/zinc/58/85/59/532588559.db2.gz GFKZKVOQVIWSCQ-GUYCJALGSA-N 1 2 388.892 2.023 20 0 GEADLO COCCc1noc(C[N@H+](C)Cc2cccc(I)c2)n1 ZINC000284438763 532591693 /nfs/dbraw/zinc/59/16/93/532591693.db2.gz SOIUTQDMCIUNHA-UHFFFAOYSA-N 1 2 387.221 2.495 20 0 GEADLO COCCc1noc(C[N@@H+](C)Cc2cccc(I)c2)n1 ZINC000284438763 532591701 /nfs/dbraw/zinc/59/17/01/532591701.db2.gz SOIUTQDMCIUNHA-UHFFFAOYSA-N 1 2 387.221 2.495 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH+]1CC(C(C)(C)O)C1 ZINC000297515350 532594693 /nfs/dbraw/zinc/59/46/93/532594693.db2.gz XQEFEGALXYPCNT-NSHDSACASA-N 1 2 385.302 2.165 20 0 GEADLO OCC1(CO)CC[N@H+](Cc2cc(Cl)ccc2I)C1 ZINC000595808837 532575213 /nfs/dbraw/zinc/57/52/13/532575213.db2.gz XVGWXAGTBHVAJY-UHFFFAOYSA-N 1 2 381.641 2.121 20 0 GEADLO OCC1(CO)CC[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC000595808837 532575215 /nfs/dbraw/zinc/57/52/15/532575215.db2.gz XVGWXAGTBHVAJY-UHFFFAOYSA-N 1 2 381.641 2.121 20 0 GEADLO CCOC[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000528725880 532577488 /nfs/dbraw/zinc/57/74/88/532577488.db2.gz VXZIGPGZNRRXQF-ZBFHGGJFSA-N 1 2 392.265 2.065 20 0 GEADLO CCOC[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000528725880 532577491 /nfs/dbraw/zinc/57/74/91/532577491.db2.gz VXZIGPGZNRRXQF-ZBFHGGJFSA-N 1 2 392.265 2.065 20 0 GEADLO Cc1nc(NC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)nn1C ZINC000297287379 532577999 /nfs/dbraw/zinc/57/79/99/532577999.db2.gz FMMHEJUWLPKZSC-UHFFFAOYSA-N 1 2 392.261 2.206 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528749050 532578292 /nfs/dbraw/zinc/57/82/92/532578292.db2.gz KHZVZJNUCCULDG-AFAVFJNCSA-N 1 2 385.302 2.089 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528749050 532578297 /nfs/dbraw/zinc/57/82/97/532578297.db2.gz KHZVZJNUCCULDG-AFAVFJNCSA-N 1 2 385.302 2.089 20 0 GEADLO CN(Cc1cscn1)C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000284141291 532578619 /nfs/dbraw/zinc/57/86/19/532578619.db2.gz XLYLSSABLAFDFX-OAHLLOKOSA-N 1 2 380.901 2.174 20 0 GEADLO Ic1cnc(C[NH2+]C[C@@H]2CN3CCCC[C@H]3CO2)s1 ZINC000375761253 532580820 /nfs/dbraw/zinc/58/08/20/532580820.db2.gz HGRRQEKPGUYGLO-WDEREUQCSA-N 1 2 393.294 2.091 20 0 GEADLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528778440 532580960 /nfs/dbraw/zinc/58/09/60/532580960.db2.gz KCBNEWNJPUHBKS-XUWVNRHRSA-N 1 2 382.551 2.452 20 0 GEADLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528778440 532580970 /nfs/dbraw/zinc/58/09/70/532580970.db2.gz KCBNEWNJPUHBKS-XUWVNRHRSA-N 1 2 382.551 2.452 20 0 GEADLO Cc1nc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cncnc2)ccc1Br ZINC000376474129 532614360 /nfs/dbraw/zinc/61/43/60/532614360.db2.gz JRGANJXQAZDOGZ-KBPBESRZSA-N 1 2 380.265 2.967 20 0 GEADLO Cc1nc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cncnc2)ccc1Br ZINC000376474129 532614366 /nfs/dbraw/zinc/61/43/66/532614366.db2.gz JRGANJXQAZDOGZ-KBPBESRZSA-N 1 2 380.265 2.967 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2ccc(F)cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000632501171 532616295 /nfs/dbraw/zinc/61/62/95/532616295.db2.gz JWHYFFMPVWURHH-CABCVRRESA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2ccc(Cl)cc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000632502762 532617136 /nfs/dbraw/zinc/61/71/36/532617136.db2.gz YKUVWEOSYUUFFM-CABCVRRESA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@@H]1[NH+]1CCOCC1 ZINC000632502449 532617754 /nfs/dbraw/zinc/61/77/54/532617754.db2.gz NAZZJIKORAZUAO-OLZOCXBDSA-N 1 2 394.871 2.396 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000632502880 532617808 /nfs/dbraw/zinc/61/78/08/532617808.db2.gz ZKMKSWWXUIDVLQ-LSDHHAIUSA-N 1 2 376.881 2.257 20 0 GEADLO CNS(=O)(=O)c1cccc2c1CC[N@H+](C[C@H](O)c1cccc(Cl)c1)C2 ZINC000284787263 532620756 /nfs/dbraw/zinc/62/07/56/532620756.db2.gz NSAHRRDRDFXZKD-KRWDZBQOSA-N 1 2 380.897 2.340 20 0 GEADLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@H](O)c1cccc(Cl)c1)C2 ZINC000284787263 532620763 /nfs/dbraw/zinc/62/07/63/532620763.db2.gz NSAHRRDRDFXZKD-KRWDZBQOSA-N 1 2 380.897 2.340 20 0 GEADLO Cc1csc(-c2ccc(S(=O)(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000655539606 532596235 /nfs/dbraw/zinc/59/62/35/532596235.db2.gz RJQRKBHJYJEVJU-XJKSGUPXSA-N 1 2 381.523 2.116 20 0 GEADLO Cc1csc(-c2ccc(S(=O)(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000655539606 532596240 /nfs/dbraw/zinc/59/62/40/532596240.db2.gz RJQRKBHJYJEVJU-XJKSGUPXSA-N 1 2 381.523 2.116 20 0 GEADLO CCOc1cc(C[N@H+](CC)CCS(C)(=O)=O)cc(Br)c1O ZINC000297592422 532597689 /nfs/dbraw/zinc/59/76/89/532597689.db2.gz FGWZNNQWNGTVGH-UHFFFAOYSA-N 1 2 380.304 2.420 20 0 GEADLO CCOc1cc(C[N@@H+](CC)CCS(C)(=O)=O)cc(Br)c1O ZINC000297592422 532597694 /nfs/dbraw/zinc/59/76/94/532597694.db2.gz FGWZNNQWNGTVGH-UHFFFAOYSA-N 1 2 380.304 2.420 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(c1[nH+]cnc3c1cnn3C)C2 ZINC000596567271 532599126 /nfs/dbraw/zinc/59/91/26/532599126.db2.gz QNERTLHZHUNBPG-UHFFFAOYSA-N 1 2 394.254 2.494 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000284525562 532599120 /nfs/dbraw/zinc/59/91/20/532599120.db2.gz ZPDYREKDZAQPSO-MRXNPFEDSA-N 1 2 382.917 2.098 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000284525562 532599123 /nfs/dbraw/zinc/59/91/23/532599123.db2.gz ZPDYREKDZAQPSO-MRXNPFEDSA-N 1 2 382.917 2.098 20 0 GEADLO COc1cc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1Br ZINC000284539823 532599218 /nfs/dbraw/zinc/59/92/18/532599218.db2.gz HHUWXSOIFHISRA-ZIAGYGMSSA-N 1 2 384.274 2.395 20 0 GEADLO COc1cc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1Br ZINC000284539823 532599222 /nfs/dbraw/zinc/59/92/22/532599222.db2.gz HHUWXSOIFHISRA-ZIAGYGMSSA-N 1 2 384.274 2.395 20 0 GEADLO NC(=O)C1([NH+]2CCN(c3nc(C(Cl)(Cl)Cl)ns3)CC2)CCCC1 ZINC000376184922 532600462 /nfs/dbraw/zinc/60/04/62/532600462.db2.gz CTRKZSWOIXRCEU-UHFFFAOYSA-N 1 2 398.747 2.285 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NCc2[nH+]ccn2C)c1 ZINC000297670812 532601241 /nfs/dbraw/zinc/60/12/41/532601241.db2.gz NTWXAJMDFHIPAV-AWEZNQCLSA-N 1 2 397.273 2.066 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cn2ccc(Br)cc2n1 ZINC000376220566 532602974 /nfs/dbraw/zinc/60/29/74/532602974.db2.gz RFRQGUDKTZDCPB-JSGCOSHPSA-N 1 2 393.285 2.032 20 0 GEADLO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CC(C[NH+]2CCOCC2)C1 ZINC000632355656 532604707 /nfs/dbraw/zinc/60/47/07/532604707.db2.gz QWNZLVSRISVYHK-UHFFFAOYSA-N 1 2 385.338 2.149 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ncc(Br)cc2F)C1 ZINC000529526181 532606757 /nfs/dbraw/zinc/60/67/57/532606757.db2.gz IBVGUUWKZGKGFG-NEPJUHHUSA-N 1 2 388.281 2.346 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ncc(Br)cc2F)C1 ZINC000529526181 532606764 /nfs/dbraw/zinc/60/67/64/532606764.db2.gz IBVGUUWKZGKGFG-NEPJUHHUSA-N 1 2 388.281 2.346 20 0 GEADLO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c(Cl)cc1F ZINC000632384251 532607286 /nfs/dbraw/zinc/60/72/86/532607286.db2.gz ARJKDDAIHLXLBK-CYBMUJFWSA-N 1 2 376.881 2.273 20 0 GEADLO CC(C)N1C(=O)N[C@@H]2CN(Cc3c[nH+]c4ccc(Br)cn34)CC[C@@H]21 ZINC000284642863 532607977 /nfs/dbraw/zinc/60/79/77/532607977.db2.gz MRUPYYZUTFCIBQ-CABCVRRESA-N 1 2 392.301 2.473 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000632384428 532607983 /nfs/dbraw/zinc/60/79/83/532607983.db2.gz FZVOWZOOGGPKLQ-AWEZNQCLSA-N 1 2 378.416 2.191 20 0 GEADLO Cc1c(Br)ccc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1F ZINC000435107625 532608190 /nfs/dbraw/zinc/60/81/90/532608190.db2.gz HYTNMLLLANYZLC-SNVBAGLBSA-N 1 2 395.232 2.163 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000632394280 532609212 /nfs/dbraw/zinc/60/92/12/532609212.db2.gz MQSVJHDTEAEADF-CZUORRHYSA-N 1 2 376.881 2.180 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000632394280 532609217 /nfs/dbraw/zinc/60/92/17/532609217.db2.gz MQSVJHDTEAEADF-CZUORRHYSA-N 1 2 376.881 2.180 20 0 GEADLO Cn1ncc2c1nc(N)[nH+]c2N1CCOc2c(Br)cccc2C1 ZINC000656184248 532609648 /nfs/dbraw/zinc/60/96/48/532609648.db2.gz OAFSFCNSHMHMJP-UHFFFAOYSA-N 1 2 375.230 2.107 20 0 GEADLO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262963244 532609702 /nfs/dbraw/zinc/60/97/02/532609702.db2.gz KYSJRYFKRMRQSX-LBPRGKRZSA-N 1 2 392.233 2.275 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000596992634 532610668 /nfs/dbraw/zinc/61/06/68/532610668.db2.gz DKLXGJYTYSWOBB-NFAWXSAZSA-N 1 2 392.253 2.317 20 0 GEADLO O=C(Cn1cc(Br)cn1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000474656237 532623184 /nfs/dbraw/zinc/62/31/84/532623184.db2.gz ISGHUUXDHJFQKX-UHFFFAOYSA-N 1 2 397.704 2.474 20 0 GEADLO O=C(Cn1cc(Br)cn1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000474656237 532623188 /nfs/dbraw/zinc/62/31/88/532623188.db2.gz ISGHUUXDHJFQKX-UHFFFAOYSA-N 1 2 397.704 2.474 20 0 GEADLO CCOc1cc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc(Cl)c1O ZINC000298080540 532623764 /nfs/dbraw/zinc/62/37/64/532623764.db2.gz LVFJXKABKOOSDZ-AWEZNQCLSA-N 1 2 388.917 2.444 20 0 GEADLO CCOc1cc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc(Cl)c1O ZINC000298080540 532623766 /nfs/dbraw/zinc/62/37/66/532623766.db2.gz LVFJXKABKOOSDZ-AWEZNQCLSA-N 1 2 388.917 2.444 20 0 GEADLO CS[C@H](C)CNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284829262 532624223 /nfs/dbraw/zinc/62/42/23/532624223.db2.gz WOUCTVZRMHMTJV-BXUZGUMPSA-N 1 2 380.901 2.147 20 0 GEADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ncncc3Br)CC2)no1 ZINC000376692486 532624693 /nfs/dbraw/zinc/62/46/93/532624693.db2.gz YPHAITPBSMFVLF-GFCCVEGCSA-N 1 2 381.278 2.421 20 0 GEADLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ncncc3Br)CC2)no1 ZINC000376692486 532624694 /nfs/dbraw/zinc/62/46/94/532624694.db2.gz YPHAITPBSMFVLF-GFCCVEGCSA-N 1 2 381.278 2.421 20 0 GEADLO CS[C@@H](C)CNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284829267 532624764 /nfs/dbraw/zinc/62/47/64/532624764.db2.gz WOUCTVZRMHMTJV-SMDDNHRTSA-N 1 2 380.901 2.147 20 0 GEADLO Clc1cc(CN2CC[N@@H+]3CCOC[C@@H]3C2)ccc1I ZINC000436093706 532625291 /nfs/dbraw/zinc/62/52/91/532625291.db2.gz OYLPIIRFSIXTEX-LBPRGKRZSA-N 1 2 392.668 2.461 20 0 GEADLO Clc1cc(CN2CC[N@H+]3CCOC[C@@H]3C2)ccc1I ZINC000436093706 532625298 /nfs/dbraw/zinc/62/52/98/532625298.db2.gz OYLPIIRFSIXTEX-LBPRGKRZSA-N 1 2 392.668 2.461 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CCO1 ZINC000530687131 532625514 /nfs/dbraw/zinc/62/55/14/532625514.db2.gz HXHDFJZIAAQGSC-LLVKDONJSA-N 1 2 394.269 2.153 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CCO1 ZINC000530687131 532625517 /nfs/dbraw/zinc/62/55/17/532625517.db2.gz HXHDFJZIAAQGSC-LLVKDONJSA-N 1 2 394.269 2.153 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1nc(Br)sc1C1CC1 ZINC000376738888 532627438 /nfs/dbraw/zinc/62/74/38/532627438.db2.gz ZGBITVHAXGFUAU-LLVKDONJSA-N 1 2 386.315 2.376 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1nc(Br)sc1C1CC1 ZINC000376738888 532627445 /nfs/dbraw/zinc/62/74/45/532627445.db2.gz ZGBITVHAXGFUAU-LLVKDONJSA-N 1 2 386.315 2.376 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@](C)(O)COC)CC1 ZINC000530781386 532628910 /nfs/dbraw/zinc/62/89/10/532628910.db2.gz JRNHDCKUEYGSHO-FUHWJXTLSA-N 1 2 399.329 2.442 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000376833115 532630957 /nfs/dbraw/zinc/63/09/57/532630957.db2.gz PZIRAJZEWPYMOI-JTQLQIEISA-N 1 2 399.257 2.174 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000376833115 532630964 /nfs/dbraw/zinc/63/09/64/532630964.db2.gz PZIRAJZEWPYMOI-JTQLQIEISA-N 1 2 399.257 2.174 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)c1cccs1 ZINC000284918434 532631709 /nfs/dbraw/zinc/63/17/09/532631709.db2.gz NCEBMODRECGFLZ-GJZGRUSLSA-N 1 2 378.519 2.428 20 0 GEADLO C[C@H](CNc1nc2c(cnn2C)c(N)[nH+]1)Oc1cccc(Br)c1 ZINC000436391104 532633161 /nfs/dbraw/zinc/63/31/61/532633161.db2.gz QHMPDSMDUUAXPO-SECBINFHSA-N 1 2 377.246 2.587 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000298261173 532636432 /nfs/dbraw/zinc/63/64/32/532636432.db2.gz ZVSUFHFMFZJVGM-NSHDSACASA-N 1 2 387.267 2.449 20 0 GEADLO CCOC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000475037199 532637266 /nfs/dbraw/zinc/63/72/66/532637266.db2.gz BOJQBUNPFNIQNL-QGZVFWFLSA-N 1 2 389.279 2.065 20 0 GEADLO COc1ccc2nc(C[NH+]3CCC(N4CCCS4(=O)=O)CC3)sc2c1 ZINC000567027900 532637467 /nfs/dbraw/zinc/63/74/67/532637467.db2.gz HGSAFVCFUOBIEA-UHFFFAOYSA-N 1 2 381.523 2.305 20 0 GEADLO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1)C2 ZINC000632687151 532638809 /nfs/dbraw/zinc/63/88/09/532638809.db2.gz CPJMKIUJHJZGJV-UHFFFAOYSA-N 1 2 391.269 2.024 20 0 GEADLO Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1)C2 ZINC000632687151 532638815 /nfs/dbraw/zinc/63/88/15/532638815.db2.gz CPJMKIUJHJZGJV-UHFFFAOYSA-N 1 2 391.269 2.024 20 0 GEADLO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000475184521 532639917 /nfs/dbraw/zinc/63/99/17/532639917.db2.gz DZDAAWNOZQVASH-JTQLQIEISA-N 1 2 395.232 2.163 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000377054992 532639937 /nfs/dbraw/zinc/63/99/37/532639937.db2.gz DZEAYBDEIMHKQF-OAHLLOKOSA-N 1 2 394.273 2.294 20 0 GEADLO CCCCN(CCCC)S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531911833 532641503 /nfs/dbraw/zinc/64/15/03/532641503.db2.gz RRFTYMUGCJUTAC-ROUUACIJSA-N 1 2 375.579 2.366 20 0 GEADLO O=C(NCC1CCC(F)(F)CC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000377102593 532642531 /nfs/dbraw/zinc/64/25/31/532642531.db2.gz DORXCZRWBIRTEX-INIZCTEOSA-N 1 2 377.501 2.319 20 0 GEADLO CC[C@@]1(C)CC[N@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000532090317 532644471 /nfs/dbraw/zinc/64/44/71/532644471.db2.gz INEWCYLAXKJDEM-YJBOKZPZSA-N 1 2 384.567 2.386 20 0 GEADLO CC[C@@]1(C)CC[N@@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000532090317 532644474 /nfs/dbraw/zinc/64/44/74/532644474.db2.gz INEWCYLAXKJDEM-YJBOKZPZSA-N 1 2 384.567 2.386 20 0 GEADLO CN(C)C(=O)CN1CCC[N@H+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000377124655 532644499 /nfs/dbraw/zinc/64/44/99/532644499.db2.gz GGCQWUSRHZFCFJ-UHFFFAOYSA-N 1 2 395.301 2.186 20 0 GEADLO CN(C)C(=O)CN1CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000377124655 532644504 /nfs/dbraw/zinc/64/45/04/532644504.db2.gz GGCQWUSRHZFCFJ-UHFFFAOYSA-N 1 2 395.301 2.186 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000298355801 532645114 /nfs/dbraw/zinc/64/51/14/532645114.db2.gz SZPGQWPPQRIMSA-SWLSCSKDSA-N 1 2 381.274 2.409 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000285076698 532645217 /nfs/dbraw/zinc/64/52/17/532645217.db2.gz LSANDNZNMZZUBR-UHFFFAOYSA-N 1 2 380.539 2.387 20 0 GEADLO Cc1cccc2[nH+]c(CNC(=O)NCc3c(Br)cnn3C)cn21 ZINC000633035739 532659912 /nfs/dbraw/zinc/65/99/12/532659912.db2.gz FPEUBAAYHFXTCR-UHFFFAOYSA-N 1 2 377.246 2.138 20 0 GEADLO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCSC[C@@H]2C)c1 ZINC000532968551 532659949 /nfs/dbraw/zinc/65/99/49/532659949.db2.gz KQINENFGFHGZBN-AWEZNQCLSA-N 1 2 385.555 2.093 20 0 GEADLO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCSC[C@@H]2C)c1 ZINC000532968551 532659953 /nfs/dbraw/zinc/65/99/53/532659953.db2.gz KQINENFGFHGZBN-AWEZNQCLSA-N 1 2 385.555 2.093 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000532970904 532660246 /nfs/dbraw/zinc/66/02/46/532660246.db2.gz AHXYIEMHUNQIJR-RYUDHWBXSA-N 1 2 378.416 2.399 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000532970904 532660249 /nfs/dbraw/zinc/66/02/49/532660249.db2.gz AHXYIEMHUNQIJR-RYUDHWBXSA-N 1 2 378.416 2.399 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1C1CC1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000377547496 532660339 /nfs/dbraw/zinc/66/03/39/532660339.db2.gz YQBKJORBYBPNFU-WBVHZDCISA-N 1 2 382.551 2.138 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1C1CC1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000377547496 532660343 /nfs/dbraw/zinc/66/03/43/532660343.db2.gz YQBKJORBYBPNFU-WBVHZDCISA-N 1 2 382.551 2.138 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(F)cc1Br ZINC000478788325 532660987 /nfs/dbraw/zinc/66/09/87/532660987.db2.gz SARWZAAVJUGTME-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@H](NC(=O)NCc1csc(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000264259838 532669236 /nfs/dbraw/zinc/66/92/36/532669236.db2.gz LSVMVXDSMOTRFL-QWRGUYRKSA-N 1 2 376.320 2.419 20 0 GEADLO O=S(=O)(c1nc2ccccc2s1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000567775352 532663288 /nfs/dbraw/zinc/66/32/88/532663288.db2.gz JSNJEKCVPLPZRG-AWEZNQCLSA-N 1 2 381.523 2.029 20 0 GEADLO O=S(=O)([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1)N1CCOCC1 ZINC000437791231 532663466 /nfs/dbraw/zinc/66/34/66/532663466.db2.gz ZDAZSCAYJOVXLB-HNNXBMFYSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1)N1CCOCC1 ZINC000437791231 532663473 /nfs/dbraw/zinc/66/34/73/532663473.db2.gz ZDAZSCAYJOVXLB-HNNXBMFYSA-N 1 2 376.881 2.106 20 0 GEADLO Cc1cccc2[nH+]c(CCNC(=O)NCc3c(Br)cnn3C)cn21 ZINC000633333305 532664841 /nfs/dbraw/zinc/66/48/41/532664841.db2.gz YSXHBWFJDIGGET-UHFFFAOYSA-N 1 2 391.273 2.181 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000599567145 532666207 /nfs/dbraw/zinc/66/62/07/532666207.db2.gz MRQNOGPDIXRSDT-MEDUHNTESA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000599567145 532666213 /nfs/dbraw/zinc/66/62/13/532666213.db2.gz MRQNOGPDIXRSDT-MEDUHNTESA-N 1 2 385.258 2.040 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)NCC3([S@](C)=O)CCC3)CC2)s1 ZINC000438160966 532667225 /nfs/dbraw/zinc/66/72/25/532667225.db2.gz PLMZVKBPPHPVHG-VWLOTQADSA-N 1 2 383.583 2.439 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000567861744 532667211 /nfs/dbraw/zinc/66/72/11/532667211.db2.gz UPTQIMIIQRFLQF-LBPRGKRZSA-N 1 2 387.221 2.049 20 0 GEADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000656924882 532647961 /nfs/dbraw/zinc/64/79/61/532647961.db2.gz NPAJVZMLWDMWGR-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(Br)cc1F ZINC000632870974 532648655 /nfs/dbraw/zinc/64/86/55/532648655.db2.gz OZIJKPVKBXQJNZ-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO Ic1ccc2ncnc(N3CC(n4cc[nH+]c4)C3)c2c1 ZINC000532342361 532650160 /nfs/dbraw/zinc/65/01/60/532650160.db2.gz WUXUFIKXRSLMRU-UHFFFAOYSA-N 1 2 377.189 2.492 20 0 GEADLO CN(Cc1cccs1)C(=O)CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437246275 532652962 /nfs/dbraw/zinc/65/29/62/532652962.db2.gz MVYMMAZACTYNNM-UHFFFAOYSA-N 1 2 395.428 2.080 20 0 GEADLO Cc1nnc(CCNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000567436964 532653638 /nfs/dbraw/zinc/65/36/38/532653638.db2.gz WDTPTZMNKOLLNV-UHFFFAOYSA-N 1 2 379.917 2.400 20 0 GEADLO Cc1nnc(CCNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000567436964 532653645 /nfs/dbraw/zinc/65/36/45/532653645.db2.gz WDTPTZMNKOLLNV-UHFFFAOYSA-N 1 2 379.917 2.400 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCOCC1)c1ccc(Br)cc1 ZINC000660011266 532668937 /nfs/dbraw/zinc/66/89/37/532668937.db2.gz AALKKBZHADJYFN-AWEZNQCLSA-N 1 2 379.258 2.314 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2cc(Cl)ccc2Br)C1 ZINC000567466396 532655921 /nfs/dbraw/zinc/65/59/21/532655921.db2.gz DTHIXTCBQZIXEO-ZDUSSCGKSA-N 1 2 389.725 2.148 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2cc(Cl)ccc2Br)C1 ZINC000567466396 532655925 /nfs/dbraw/zinc/65/59/25/532655925.db2.gz DTHIXTCBQZIXEO-ZDUSSCGKSA-N 1 2 389.725 2.148 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)Nc2cc(C)nn2-c2cc[nH+]cc2)cs1 ZINC000437300766 532656743 /nfs/dbraw/zinc/65/67/43/532656743.db2.gz BMZUMFSYYXACAA-UHFFFAOYSA-N 1 2 378.435 2.225 20 0 GEADLO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCSC[C@H]2C)c1 ZINC000532968560 532659319 /nfs/dbraw/zinc/65/93/19/532659319.db2.gz KQINENFGFHGZBN-CQSZACIVSA-N 1 2 385.555 2.093 20 0 GEADLO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCSC[C@H]2C)c1 ZINC000532968560 532659323 /nfs/dbraw/zinc/65/93/23/532659323.db2.gz KQINENFGFHGZBN-CQSZACIVSA-N 1 2 385.555 2.093 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000535660180 532683967 /nfs/dbraw/zinc/68/39/67/532683967.db2.gz WKMLWAKGAIRXKV-DOMZBBRYSA-N 1 2 399.925 2.224 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000535660180 532683971 /nfs/dbraw/zinc/68/39/71/532683971.db2.gz WKMLWAKGAIRXKV-DOMZBBRYSA-N 1 2 399.925 2.224 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1sccc1Br ZINC000264314807 532669555 /nfs/dbraw/zinc/66/95/55/532669555.db2.gz OQOPJSSMQKZGIO-UHFFFAOYSA-N 1 2 385.287 2.292 20 0 GEADLO Cc1cc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c(C)c[nH+]1 ZINC000534299817 532671303 /nfs/dbraw/zinc/67/13/03/532671303.db2.gz DSQJQQSBYLWMIK-UHFFFAOYSA-N 1 2 388.221 2.118 20 0 GEADLO C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CCS1(=O)=O ZINC000377785318 532671628 /nfs/dbraw/zinc/67/16/28/532671628.db2.gz SSTXMUPSTOFQSK-LBPRGKRZSA-N 1 2 390.958 2.259 20 0 GEADLO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl)C(=O)OC ZINC000483237407 532673684 /nfs/dbraw/zinc/67/36/84/532673684.db2.gz QIRNUGZWEOLOPK-YNZJMPHRSA-N 1 2 391.295 2.320 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000298858000 532679640 /nfs/dbraw/zinc/67/96/40/532679640.db2.gz OFEBBBCBULLNRB-UHFFFAOYSA-N 1 2 379.873 2.105 20 0 GEADLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1cncc(Br)c1)C2 ZINC000264897639 532680817 /nfs/dbraw/zinc/68/08/17/532680817.db2.gz AUXQOLFOLXPIKH-UHFFFAOYSA-N 1 2 399.314 2.448 20 0 GEADLO CS(=O)(=O)CC1(C[NH+]2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC000661575716 532680959 /nfs/dbraw/zinc/68/09/59/532680959.db2.gz AXLAIVJOTMLGDC-UHFFFAOYSA-N 1 2 387.343 2.396 20 0 GEADLO O=S1(=O)CCC(O)(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)CC1 ZINC000661547921 532681017 /nfs/dbraw/zinc/68/10/17/532681017.db2.gz LOPSTFUUXMPGQX-UHFFFAOYSA-N 1 2 378.519 2.108 20 0 GEADLO O=S1(=O)CCC(O)(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)CC1 ZINC000661547921 532681024 /nfs/dbraw/zinc/68/10/24/532681024.db2.gz LOPSTFUUXMPGQX-UHFFFAOYSA-N 1 2 378.519 2.108 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000638131224 532681126 /nfs/dbraw/zinc/68/11/26/532681126.db2.gz CAWDHMXXNHQQNL-OAHLLOKOSA-N 1 2 388.917 2.224 20 0 GEADLO COCCN(C)S(=O)(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000600748030 532681127 /nfs/dbraw/zinc/68/11/27/532681127.db2.gz AHLSSJOKOZHGFI-OAHLLOKOSA-N 1 2 393.912 2.029 20 0 GEADLO Fc1cccnc1N1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000638124270 532682239 /nfs/dbraw/zinc/68/22/39/532682239.db2.gz ZVXGWJQQDOVTCF-UHFFFAOYSA-N 1 2 391.248 2.348 20 0 GEADLO CC[C@@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@@H](CC)CN1C(C)=O ZINC000638123016 532682550 /nfs/dbraw/zinc/68/25/50/532682550.db2.gz RMOQRTYQXVWBQD-LSDHHAIUSA-N 1 2 387.933 2.209 20 0 GEADLO CC[C@@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@@H](CC)CN1C(C)=O ZINC000638123016 532682557 /nfs/dbraw/zinc/68/25/57/532682557.db2.gz RMOQRTYQXVWBQD-LSDHHAIUSA-N 1 2 387.933 2.209 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285478272 532682953 /nfs/dbraw/zinc/68/29/53/532682953.db2.gz CMZHAMKASURYGK-AWEZNQCLSA-N 1 2 387.933 2.190 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285478272 532682960 /nfs/dbraw/zinc/68/29/60/532682960.db2.gz CMZHAMKASURYGK-AWEZNQCLSA-N 1 2 387.933 2.190 20 0 GEADLO COc1cccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c1OC(F)F ZINC000378371026 532693006 /nfs/dbraw/zinc/69/30/06/532693006.db2.gz NCLAXVULLYWVRI-ZDUSSCGKSA-N 1 2 378.441 2.199 20 0 GEADLO COc1cccc(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c1OC(F)F ZINC000378371026 532693010 /nfs/dbraw/zinc/69/30/10/532693010.db2.gz NCLAXVULLYWVRI-ZDUSSCGKSA-N 1 2 378.441 2.199 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NCCS(=O)(=O)c1ccccc1)c1cccs1 ZINC000299073256 532693253 /nfs/dbraw/zinc/69/32/53/532693253.db2.gz XAESXKBLASUJQQ-OAHLLOKOSA-N 1 2 381.523 2.124 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000378413544 532693861 /nfs/dbraw/zinc/69/38/61/532693861.db2.gz VPVMUMBYXSYGNT-CQSZACIVSA-N 1 2 382.873 2.291 20 0 GEADLO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000285665407 532696636 /nfs/dbraw/zinc/69/66/36/532696636.db2.gz PJZGCIYZQLOTKF-SWLSCSKDSA-N 1 2 391.331 2.102 20 0 GEADLO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CCS(=O)(=O)N(C)C ZINC000285665407 532696642 /nfs/dbraw/zinc/69/66/42/532696642.db2.gz PJZGCIYZQLOTKF-SWLSCSKDSA-N 1 2 391.331 2.102 20 0 GEADLO O=C(Cn1cc(CC[NH+]2CCOCC2)nn1)Nc1ccc(Cl)c(Cl)c1 ZINC000640760284 532696991 /nfs/dbraw/zinc/69/69/91/532696991.db2.gz QQLQPQRADONIOZ-UHFFFAOYSA-N 1 2 384.267 2.098 20 0 GEADLO O=C(NCc1cc(Br)cs1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603589637 532697089 /nfs/dbraw/zinc/69/70/89/532697089.db2.gz ACEYCBJKKKOYOJ-UHFFFAOYSA-N 1 2 384.303 2.261 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccc(Cl)o3)c2)CC1 ZINC000299143007 532698722 /nfs/dbraw/zinc/69/87/22/532698722.db2.gz IHPHYYDKLPYJEB-UHFFFAOYSA-N 1 2 383.857 2.121 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000378629494 532700135 /nfs/dbraw/zinc/70/01/35/532700135.db2.gz VGJNKPGNKLUCCU-LBPRGKRZSA-N 1 2 391.269 2.398 20 0 GEADLO Cc1ccc(F)c(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 ZINC000439764236 532701052 /nfs/dbraw/zinc/70/10/52/532701052.db2.gz GYGCTTYOUUBFOB-UHFFFAOYSA-N 1 2 383.411 2.085 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cnc(Br)c(Cl)c1 ZINC000285704121 532701349 /nfs/dbraw/zinc/70/13/49/532701349.db2.gz HPCALFBYJLCNHI-ZYHUDNBSSA-N 1 2 388.693 2.433 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Br)cn1 ZINC000382406852 532701960 /nfs/dbraw/zinc/70/19/60/532701960.db2.gz XRJIOWAGILVCSV-INIZCTEOSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Br)cn1 ZINC000382406852 532701969 /nfs/dbraw/zinc/70/19/69/532701969.db2.gz XRJIOWAGILVCSV-INIZCTEOSA-N 1 2 390.281 2.475 20 0 GEADLO O=S(=O)(CCc1cccc(Cl)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000285519775 532687742 /nfs/dbraw/zinc/68/77/42/532687742.db2.gz GIQRHUQBRZDHCA-KRWDZBQOSA-N 1 2 386.945 2.257 20 0 GEADLO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)ccc1Br ZINC000378271519 532687812 /nfs/dbraw/zinc/68/78/12/532687812.db2.gz VHLHXMUDIMWAKZ-INIZCTEOSA-N 1 2 394.313 2.184 20 0 GEADLO CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H](C)CS(=O)(=O)CC ZINC000265057744 532687851 /nfs/dbraw/zinc/68/78/51/532687851.db2.gz LDHZEMJBSDBQBM-ZFWWWQNUSA-N 1 2 375.560 2.206 20 0 GEADLO Cc1nc(N[C@@H]2CCCN(Cc3nccn3C)C2=O)c(Br)c(C)[nH+]1 ZINC000663789951 532687961 /nfs/dbraw/zinc/68/79/61/532687961.db2.gz VFNPDUVXHPHOAZ-GFCCVEGCSA-N 1 2 393.289 2.193 20 0 GEADLO Cc1cccc(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)c1Br ZINC000378263898 532688139 /nfs/dbraw/zinc/68/81/39/532688139.db2.gz BBEIWZYGTITWNZ-HNNXBMFYSA-N 1 2 394.313 2.184 20 0 GEADLO C[C@H](c1ccccc1F)[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439288713 532688229 /nfs/dbraw/zinc/68/82/29/532688229.db2.gz YCQRVQDDJIQGPA-LLVKDONJSA-N 1 2 383.411 2.337 20 0 GEADLO CC(C)CSCCC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439290364 532688908 /nfs/dbraw/zinc/68/89/08/532688908.db2.gz WNYDGDNKYQFGEJ-UHFFFAOYSA-N 1 2 391.525 2.216 20 0 GEADLO COC(=O)CC1([NH2+]Cc2csc(C3CCCC3)n2)CCS(=O)(=O)CC1 ZINC000439278090 532689044 /nfs/dbraw/zinc/68/90/44/532689044.db2.gz UAFFZUIPRCRAGF-UHFFFAOYSA-N 1 2 386.539 2.401 20 0 GEADLO CCc1ncsc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000439307773 532690095 /nfs/dbraw/zinc/69/00/95/532690095.db2.gz XSQUVHFISFHNRK-UHFFFAOYSA-N 1 2 375.376 2.061 20 0 GEADLO C[NH+](C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000641966057 532703401 /nfs/dbraw/zinc/70/34/01/532703401.db2.gz BWEQFTMLYAZGDA-UHFFFAOYSA-N 1 2 387.914 2.494 20 0 GEADLO NC(=O)c1ccc(CC(=O)NCc2cn3cc(Br)ccc3[nH+]2)cc1 ZINC000489072311 532704022 /nfs/dbraw/zinc/70/40/22/532704022.db2.gz JVLMIIFVMCFUEO-UHFFFAOYSA-N 1 2 387.237 2.055 20 0 GEADLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1Cl ZINC000440067553 532705794 /nfs/dbraw/zinc/70/57/94/532705794.db2.gz FSJQTZLUDBLSRE-GHMZBOCLSA-N 1 2 381.325 2.377 20 0 GEADLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1Cl ZINC000440067553 532705797 /nfs/dbraw/zinc/70/57/97/532705797.db2.gz FSJQTZLUDBLSRE-GHMZBOCLSA-N 1 2 381.325 2.377 20 0 GEADLO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2sc(C)cc2Br)C1 ZINC000608023571 532708080 /nfs/dbraw/zinc/70/80/80/532708080.db2.gz AIKQCVQZOPKZMD-LLVKDONJSA-N 1 2 397.360 2.208 20 0 GEADLO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2sc(C)cc2Br)C1 ZINC000608023571 532708085 /nfs/dbraw/zinc/70/80/85/532708085.db2.gz AIKQCVQZOPKZMD-LLVKDONJSA-N 1 2 397.360 2.208 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)N2CCOC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000537436316 532708387 /nfs/dbraw/zinc/70/83/87/532708387.db2.gz NWUGMDWXBFWDIN-HOTGVXAUSA-N 1 2 387.933 2.030 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)N2CCOC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000537436316 532708394 /nfs/dbraw/zinc/70/83/94/532708394.db2.gz NWUGMDWXBFWDIN-HOTGVXAUSA-N 1 2 387.933 2.030 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1csc(CCc2ccccc2)n1 ZINC000440357776 532712317 /nfs/dbraw/zinc/71/23/17/532712317.db2.gz SHVXCOJPNIHOSH-KRWDZBQOSA-N 1 2 379.551 2.442 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1csc(CCc2ccccc2)n1 ZINC000440357776 532712326 /nfs/dbraw/zinc/71/23/26/532712326.db2.gz SHVXCOJPNIHOSH-KRWDZBQOSA-N 1 2 379.551 2.442 20 0 GEADLO CN(CCc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494209231 532713935 /nfs/dbraw/zinc/71/39/35/532713935.db2.gz QAJAKEBCXAIZMN-KRWDZBQOSA-N 1 2 396.329 2.496 20 0 GEADLO CN(CCc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494209231 532713940 /nfs/dbraw/zinc/71/39/40/532713940.db2.gz QAJAKEBCXAIZMN-KRWDZBQOSA-N 1 2 396.329 2.496 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000408452934 532718389 /nfs/dbraw/zinc/71/83/89/532718389.db2.gz OSPKXZPTNQFGQE-CQSZACIVSA-N 1 2 377.457 2.423 20 0 GEADLO CNC(=O)c1cccc(NC(=O)N(C)Cc2[nH+]ccn2C)c1Br ZINC000494302174 532716819 /nfs/dbraw/zinc/71/68/19/532716819.db2.gz WQFQOBFSKSUDRH-UHFFFAOYSA-N 1 2 380.246 2.206 20 0 GEADLO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000299433934 532717379 /nfs/dbraw/zinc/71/73/79/532717379.db2.gz VLERVKAZKHTWSW-NSHDSACASA-N 1 2 382.536 2.422 20 0 GEADLO NC(=O)c1ccsc1NC(=O)CC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000299433934 532717387 /nfs/dbraw/zinc/71/73/87/532717387.db2.gz VLERVKAZKHTWSW-NSHDSACASA-N 1 2 382.536 2.422 20 0 GEADLO O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000299489887 532721816 /nfs/dbraw/zinc/72/18/16/532721816.db2.gz FSEHFKSFJGDZDP-LBPRGKRZSA-N 1 2 385.898 2.385 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)c(F)cc2F)CC[N@H+]1C ZINC000538851946 532722559 /nfs/dbraw/zinc/72/25/59/532722559.db2.gz KDEOCTDVSPRKRJ-BDAKNGLRSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)c(F)cc2F)CC[N@@H+]1C ZINC000538851946 532722563 /nfs/dbraw/zinc/72/25/63/532722563.db2.gz KDEOCTDVSPRKRJ-BDAKNGLRSA-N 1 2 383.258 2.440 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000409504022 532723528 /nfs/dbraw/zinc/72/35/28/532723528.db2.gz SULMMZHCDYXYGH-RYUDHWBXSA-N 1 2 391.331 2.312 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000409504022 532723534 /nfs/dbraw/zinc/72/35/34/532723534.db2.gz SULMMZHCDYXYGH-RYUDHWBXSA-N 1 2 391.331 2.312 20 0 GEADLO CCS(=O)(=O)N(C)CC(=O)N(Cc1[nH]cc[nH+]1)c1cc(C)ccc1Cl ZINC000440898733 532725058 /nfs/dbraw/zinc/72/50/58/532725058.db2.gz FQNVOLDITVBFFF-UHFFFAOYSA-N 1 2 384.889 2.186 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCc2ccc[nH+]c2N(C)C)cc1Cl ZINC000441983709 532727257 /nfs/dbraw/zinc/72/72/57/532727257.db2.gz UAHMRNSQAKUIKO-UHFFFAOYSA-N 1 2 383.857 2.066 20 0 GEADLO CCOC(=O)c1nc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)cs1 ZINC000539305286 532728250 /nfs/dbraw/zinc/72/82/50/532728250.db2.gz XCYQWMNRAXZEFL-NSHDSACASA-N 1 2 383.495 2.079 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000539281519 532728607 /nfs/dbraw/zinc/72/86/07/532728607.db2.gz AOJLUXKYCJETJT-UHFFFAOYSA-N 1 2 399.195 2.289 20 0 GEADLO OCCNc1nc(NCc2cc(Br)cs2)[nH+]c2ccccc21 ZINC000613540665 532730299 /nfs/dbraw/zinc/73/02/99/532730299.db2.gz HARZGUHHTHVRGI-UHFFFAOYSA-N 1 2 379.283 2.314 20 0 GEADLO O=C(Cc1c(F)ccc(Br)c1F)NCC1([NH+]2CCOCC2)CC1 ZINC000409940838 532730721 /nfs/dbraw/zinc/73/07/21/532730721.db2.gz XVNOFSCAYYHAAU-UHFFFAOYSA-N 1 2 389.240 2.251 20 0 GEADLO Cc1cc(S(=O)(=O)NCc2c[nH+]c(N(C)C)n2C)sc1Br ZINC000267506550 532743661 /nfs/dbraw/zinc/74/36/61/532743661.db2.gz ANZPKUJBLZRSCR-UHFFFAOYSA-N 1 2 393.332 2.097 20 0 GEADLO CC[NH+]1CCN(CCNc2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1 ZINC000301193459 532743738 /nfs/dbraw/zinc/74/37/38/532743738.db2.gz SPJLEWMQOYUHIZ-UHFFFAOYSA-N 1 2 383.411 2.169 20 0 GEADLO O=C(c1ccc(C(F)(F)F)[nH]1)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615096826 532745871 /nfs/dbraw/zinc/74/58/71/532745871.db2.gz RLSMDUJOPULZSY-LBPRGKRZSA-N 1 2 377.432 2.313 20 0 GEADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1occc1Br ZINC000267597238 532746689 /nfs/dbraw/zinc/74/66/89/532746689.db2.gz WFCQKQYYYDOESI-CYBMUJFWSA-N 1 2 393.285 2.378 20 0 GEADLO COc1cc(CCNc2[nH+]cnc3c2c(Br)nn3C)ccc1O ZINC000301269399 532747335 /nfs/dbraw/zinc/74/73/35/532747335.db2.gz JDLFOGIQHYPHQB-UHFFFAOYSA-N 1 2 378.230 2.495 20 0 GEADLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NCc3cnc(C)s3)c2)CC1 ZINC000286205008 532733847 /nfs/dbraw/zinc/73/38/47/532733847.db2.gz YBRKLCHIGKUKOR-UHFFFAOYSA-N 1 2 380.539 2.390 20 0 GEADLO Cc1sc2nc(C[N@H+](CCO)CCOCC(F)(F)F)nc(N)c2c1C ZINC000540066603 532735303 /nfs/dbraw/zinc/73/53/03/532735303.db2.gz QVFAHFCXHZBQJS-UHFFFAOYSA-N 1 2 378.420 2.264 20 0 GEADLO Cc1sc2nc(C[N@@H+](CCO)CCOCC(F)(F)F)nc(N)c2c1C ZINC000540066603 532735307 /nfs/dbraw/zinc/73/53/07/532735307.db2.gz QVFAHFCXHZBQJS-UHFFFAOYSA-N 1 2 378.420 2.264 20 0 GEADLO O=S(=O)([C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1)N1CCOCC1 ZINC000501114821 532736112 /nfs/dbraw/zinc/73/61/12/532736112.db2.gz XCGQEPHPNGTSOP-AWEZNQCLSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)([C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1)N1CCOCC1 ZINC000501114821 532736125 /nfs/dbraw/zinc/73/61/25/532736125.db2.gz XCGQEPHPNGTSOP-AWEZNQCLSA-N 1 2 376.881 2.106 20 0 GEADLO O=C(Cc1cc(Cl)ccc1Br)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614509049 532738732 /nfs/dbraw/zinc/73/87/32/532738732.db2.gz ZJIUALRWODKRJF-CQSZACIVSA-N 1 2 386.721 2.151 20 0 GEADLO O=C(Cc1cc(Cl)ccc1Br)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614509049 532738738 /nfs/dbraw/zinc/73/87/38/532738738.db2.gz ZJIUALRWODKRJF-CQSZACIVSA-N 1 2 386.721 2.151 20 0 GEADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000540470345 532738764 /nfs/dbraw/zinc/73/87/64/532738764.db2.gz STUKIZYFKOKDCJ-HZPDHXFCSA-N 1 2 383.286 2.070 20 0 GEADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000540470345 532738770 /nfs/dbraw/zinc/73/87/70/532738770.db2.gz STUKIZYFKOKDCJ-HZPDHXFCSA-N 1 2 383.286 2.070 20 0 GEADLO C[C@@H]1CCSCC[N@@H+]1CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000502835720 532740716 /nfs/dbraw/zinc/74/07/16/532740716.db2.gz GFCUMOJAXKNBDS-NVXWUHKLSA-N 1 2 388.599 2.162 20 0 GEADLO C[C@@H]1CCSCC[N@H+]1CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000502835720 532740721 /nfs/dbraw/zinc/74/07/21/532740721.db2.gz GFCUMOJAXKNBDS-NVXWUHKLSA-N 1 2 388.599 2.162 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1 ZINC000502834661 532740813 /nfs/dbraw/zinc/74/08/13/532740813.db2.gz XHGOUPJMDDAFOU-CQSZACIVSA-N 1 2 389.901 2.405 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)c(Cl)c1 ZINC000502834661 532740816 /nfs/dbraw/zinc/74/08/16/532740816.db2.gz XHGOUPJMDDAFOU-CQSZACIVSA-N 1 2 389.901 2.405 20 0 GEADLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ncc(Br)cn3)CC2)n1 ZINC000267355064 532740899 /nfs/dbraw/zinc/74/08/99/532740899.db2.gz HEALGPZGXOXRRP-LLVKDONJSA-N 1 2 397.277 2.042 20 0 GEADLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3ncc(Br)cn3)CC2)n1 ZINC000267355064 532740904 /nfs/dbraw/zinc/74/09/04/532740904.db2.gz HEALGPZGXOXRRP-LLVKDONJSA-N 1 2 397.277 2.042 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN(c3ccccc3S(=O)(=O)C(F)F)CC2)S1 ZINC000301583845 532755034 /nfs/dbraw/zinc/75/50/34/532755034.db2.gz OIQVLTBLAOMGOP-LLVKDONJSA-N 1 2 375.466 2.296 20 0 GEADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC[N@@H+]1CCO ZINC000581373676 532755527 /nfs/dbraw/zinc/75/55/27/532755527.db2.gz GFDJFTSGJNGPTK-VIFPVBQESA-N 1 2 394.686 2.110 20 0 GEADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC[N@H+]1CCO ZINC000581373676 532755530 /nfs/dbraw/zinc/75/55/30/532755530.db2.gz GFDJFTSGJNGPTK-VIFPVBQESA-N 1 2 394.686 2.110 20 0 GEADLO NC(=O)c1ccc(N2CC[NH+](Cc3ccc(F)cc3Br)CC2)nc1 ZINC000507689491 532757808 /nfs/dbraw/zinc/75/78/08/532757808.db2.gz VMCSNYWYNXVEMA-UHFFFAOYSA-N 1 2 393.260 2.404 20 0 GEADLO CN(C)[C@@]1(C[NH2+]Cc2ncc(I)s2)CCSC1 ZINC000286453968 532748539 /nfs/dbraw/zinc/74/85/39/532748539.db2.gz JXGHOSBSEAEKBJ-LLVKDONJSA-N 1 2 383.324 2.275 20 0 GEADLO O=S(=O)(c1ccc2c(c1)CCC2)N1CC[NH+](CCc2cncs2)CC1 ZINC000411145704 532749165 /nfs/dbraw/zinc/74/91/65/532749165.db2.gz WOKLKUZKUQAJIC-UHFFFAOYSA-N 1 2 377.535 2.181 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000443721207 532749979 /nfs/dbraw/zinc/74/99/79/532749979.db2.gz GKYDPYKGALEKAN-UHFFFAOYSA-N 1 2 380.432 2.083 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000443737524 532749989 /nfs/dbraw/zinc/74/99/89/532749989.db2.gz OIYFADYBFWVBGZ-QMMMGPOBSA-N 1 2 387.184 2.067 20 0 GEADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC000301449446 532752445 /nfs/dbraw/zinc/75/24/45/532752445.db2.gz LAGVLKBMRXSGFS-LLVKDONJSA-N 1 2 386.930 2.327 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccnc2c(Br)cccc12 ZINC000301534254 532753185 /nfs/dbraw/zinc/75/31/85/532753185.db2.gz ADVMLDUPCKWEMR-CYBMUJFWSA-N 1 2 380.286 2.127 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000301553997 532753618 /nfs/dbraw/zinc/75/36/18/532753618.db2.gz GVECWAMGBUNEDO-AWEZNQCLSA-N 1 2 387.267 2.173 20 0 GEADLO C[C@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)c1nc(N)nc(N(C)C)n1 ZINC000411776055 532775032 /nfs/dbraw/zinc/77/50/32/532775032.db2.gz YYCFISQMJBUJBQ-ZANVPECISA-N 1 2 392.305 2.479 20 0 GEADLO C[C@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)c1nc(N)nc(N(C)C)n1 ZINC000411776054 532775196 /nfs/dbraw/zinc/77/51/96/532775196.db2.gz YYCFISQMJBUJBQ-TVQRCGJNSA-N 1 2 392.305 2.479 20 0 GEADLO CSC[C@](C)(O)CNc1nc(NC[C@](C)(O)CSC)c(Cl)c[nH+]1 ZINC000269025961 532775370 /nfs/dbraw/zinc/77/53/70/532775370.db2.gz HGJJMXLWUAGZOG-UONOGXRCSA-N 1 2 380.967 2.182 20 0 GEADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000452619948 532775428 /nfs/dbraw/zinc/77/54/28/532775428.db2.gz YGVYYYINPTYJJT-SNAWJCMRSA-N 1 2 382.302 2.035 20 0 GEADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000452619948 532775429 /nfs/dbraw/zinc/77/54/29/532775429.db2.gz YGVYYYINPTYJJT-SNAWJCMRSA-N 1 2 382.302 2.035 20 0 GEADLO COC(=O)c1ccc(Cl)c(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000411835603 532776900 /nfs/dbraw/zinc/77/69/00/532776900.db2.gz TWPRBWIBVAYCDN-UHFFFAOYSA-N 1 2 386.901 2.127 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000512278836 532778141 /nfs/dbraw/zinc/77/81/41/532778141.db2.gz KYEYAQYWNMQWPW-NSHDSACASA-N 1 2 397.722 2.234 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCOc1ccc(Cl)cc1Br ZINC000512278836 532778145 /nfs/dbraw/zinc/77/81/45/532778145.db2.gz KYEYAQYWNMQWPW-NSHDSACASA-N 1 2 397.722 2.234 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)C[C@@H]1CCCCC1(F)F)[NH+]1CCN(C)CC1 ZINC000583065563 532763963 /nfs/dbraw/zinc/76/39/63/532763963.db2.gz LMDVOYRSZHNCEK-HOTGVXAUSA-N 1 2 381.533 2.003 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000286711316 532764100 /nfs/dbraw/zinc/76/41/00/532764100.db2.gz WTQQZRWPCZUJSW-HNNXBMFYSA-N 1 2 378.778 2.384 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000286711316 532764102 /nfs/dbraw/zinc/76/41/02/532764102.db2.gz WTQQZRWPCZUJSW-HNNXBMFYSA-N 1 2 378.778 2.384 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)C[C@@H]1CCCCC1(F)F)[NH+]1CCN(C)CC1 ZINC000583065565 532764549 /nfs/dbraw/zinc/76/45/49/532764549.db2.gz LMDVOYRSZHNCEK-JKSUJKDBSA-N 1 2 381.533 2.003 20 0 GEADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1)c1ccc(Cl)cc1Cl ZINC000268502980 532766857 /nfs/dbraw/zinc/76/68/57/532766857.db2.gz XTPAFYSFVKCOIB-DZHLUBAWSA-N 1 2 388.295 2.134 20 0 GEADLO C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1)c1ccc(Cl)cc1Cl ZINC000268502980 532766862 /nfs/dbraw/zinc/76/68/62/532766862.db2.gz XTPAFYSFVKCOIB-DZHLUBAWSA-N 1 2 388.295 2.134 20 0 GEADLO CC[C@@H]([NH2+]Cc1nc(N)nc(N(C)C)n1)c1cc(F)cc(Br)c1 ZINC000411565111 532767716 /nfs/dbraw/zinc/76/77/16/532767716.db2.gz VBJHALCZFYPPQC-GFCCVEGCSA-N 1 2 383.269 2.662 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000542249586 532767861 /nfs/dbraw/zinc/76/78/61/532767861.db2.gz UBYCTHQNDBPWOB-HOTGVXAUSA-N 1 2 387.933 2.209 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000542248396 532768034 /nfs/dbraw/zinc/76/80/34/532768034.db2.gz DECZSXQICCIDMN-WFBYXXMGSA-N 1 2 387.263 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000542248396 532768038 /nfs/dbraw/zinc/76/80/38/532768038.db2.gz DECZSXQICCIDMN-WFBYXXMGSA-N 1 2 387.263 2.421 20 0 GEADLO CSc1cccc(S(=O)(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000509400712 532768513 /nfs/dbraw/zinc/76/85/13/532768513.db2.gz LYXMLRBWFLZPAD-UHFFFAOYSA-N 1 2 379.507 2.119 20 0 GEADLO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(Br)c(F)cc1O ZINC000451793155 532770576 /nfs/dbraw/zinc/77/05/76/532770576.db2.gz DGHVFQQJBNDFQP-UHFFFAOYSA-N 1 2 390.297 2.249 20 0 GEADLO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc(Br)c(F)cc1O ZINC000451793155 532770581 /nfs/dbraw/zinc/77/05/81/532770581.db2.gz DGHVFQQJBNDFQP-UHFFFAOYSA-N 1 2 390.297 2.249 20 0 GEADLO CN(CCCN(C)C(=O)c1cc(Br)c(F)cc1O)CC[NH+](C)C ZINC000451793155 532770586 /nfs/dbraw/zinc/77/05/86/532770586.db2.gz DGHVFQQJBNDFQP-UHFFFAOYSA-N 1 2 390.297 2.249 20 0 GEADLO C[C@@H](CNC(=O)CCc1ccc(Br)cc1F)[NH+]1CCN(C)CC1 ZINC000588935512 532772512 /nfs/dbraw/zinc/77/25/12/532772512.db2.gz OKKWPTQRYUKWCY-ZDUSSCGKSA-N 1 2 386.309 2.273 20 0 GEADLO Cc1nnc(COCC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)s1 ZINC000286847835 532772564 /nfs/dbraw/zinc/77/25/64/532772564.db2.gz WPHFOWXJKXPECT-UHFFFAOYSA-N 1 2 380.901 2.361 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C[C@H]1C(F)(F)F ZINC000411727687 532773399 /nfs/dbraw/zinc/77/33/99/532773399.db2.gz PDUPIIDVTKMRGM-GBJTYRQASA-N 1 2 380.407 2.436 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C[C@H]1C(F)(F)F ZINC000411727687 532773401 /nfs/dbraw/zinc/77/34/01/532773401.db2.gz PDUPIIDVTKMRGM-GBJTYRQASA-N 1 2 380.407 2.436 20 0 GEADLO C[C@@H](c1cccc(Br)c1)[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411749814 532774399 /nfs/dbraw/zinc/77/43/99/532774399.db2.gz WXVGFMLPUTWGRM-ZDUSSCGKSA-N 1 2 390.347 2.324 20 0 GEADLO C[C@@H](c1cccc(Br)c1)[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411749814 532774405 /nfs/dbraw/zinc/77/44/05/532774405.db2.gz WXVGFMLPUTWGRM-ZDUSSCGKSA-N 1 2 390.347 2.324 20 0 GEADLO CC[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)c1nccs1 ZINC000542524608 532774493 /nfs/dbraw/zinc/77/44/93/532774493.db2.gz CVMXAAGMNQLLHP-NSHDSACASA-N 1 2 388.902 2.123 20 0 GEADLO COc1ccc(C[C@H](CO)CNC(=O)c2c[nH+]c(C)[nH]2)cc1Br ZINC000456492078 532782577 /nfs/dbraw/zinc/78/25/77/532782577.db2.gz LXSBDIODMLGSNO-LBPRGKRZSA-N 1 2 382.258 2.070 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000545202673 532783461 /nfs/dbraw/zinc/78/34/61/532783461.db2.gz UOTOVTQVVVFESX-OAHLLOKOSA-N 1 2 380.286 2.420 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000545202673 532783462 /nfs/dbraw/zinc/78/34/62/532783462.db2.gz UOTOVTQVVVFESX-OAHLLOKOSA-N 1 2 380.286 2.420 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000412078118 532784231 /nfs/dbraw/zinc/78/42/31/532784231.db2.gz OIFMKKHJWPVAPY-LLVKDONJSA-N 1 2 376.400 2.482 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000412078118 532784235 /nfs/dbraw/zinc/78/42/35/532784235.db2.gz OIFMKKHJWPVAPY-LLVKDONJSA-N 1 2 376.400 2.482 20 0 GEADLO CC[C@H](O)C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)CC1 ZINC000287173112 532784914 /nfs/dbraw/zinc/78/49/14/532784914.db2.gz GIBXHEGZSBADIX-LBPRGKRZSA-N 1 2 380.432 2.002 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cnc1Cl ZINC000287225371 532786906 /nfs/dbraw/zinc/78/69/06/532786906.db2.gz IWNXFBZJQUMPNW-ZYHUDNBSSA-N 1 2 388.693 2.433 20 0 GEADLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1cncc(Br)c1 ZINC000321208599 532787249 /nfs/dbraw/zinc/78/72/49/532787249.db2.gz XJVVZSLDUULPQW-UHFFFAOYSA-N 1 2 395.282 2.481 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000287248815 532788303 /nfs/dbraw/zinc/78/83/03/532788303.db2.gz JURXUIHCVSEQRB-YPMHNXCESA-N 1 2 393.285 2.261 20 0 GEADLO COC(=O)C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CCCC1 ZINC000325391947 532789151 /nfs/dbraw/zinc/78/91/51/532789151.db2.gz CULAINAYXVQKGI-UHFFFAOYSA-N 1 2 394.269 2.375 20 0 GEADLO COC(=O)C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CCCC1 ZINC000325391947 532789153 /nfs/dbraw/zinc/78/91/53/532789153.db2.gz CULAINAYXVQKGI-UHFFFAOYSA-N 1 2 394.269 2.375 20 0 GEADLO C[NH+](C)Cc1csc(NC(=O)CCn2cc(Br)ccc2=O)n1 ZINC000457319095 532789729 /nfs/dbraw/zinc/78/97/29/532789729.db2.gz VNAATKJMSGRGLQ-UHFFFAOYSA-N 1 2 385.287 2.158 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@H](C)[N@H+]1CCO ZINC000412379407 532789989 /nfs/dbraw/zinc/78/99/89/532789989.db2.gz OFAFDLQYPIGEHL-AOOOYVTPSA-N 1 2 391.693 2.335 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@H](C)[N@@H+]1CCO ZINC000412379407 532789994 /nfs/dbraw/zinc/78/99/94/532789994.db2.gz OFAFDLQYPIGEHL-AOOOYVTPSA-N 1 2 391.693 2.335 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000412421034 532791492 /nfs/dbraw/zinc/79/14/92/532791492.db2.gz BZXZGSOVEJFNMP-HYVNUMGLSA-N 1 2 397.313 2.394 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000412421034 532791495 /nfs/dbraw/zinc/79/14/95/532791495.db2.gz BZXZGSOVEJFNMP-HYVNUMGLSA-N 1 2 397.313 2.394 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(C)sc2Br)CC1 ZINC000412433127 532792505 /nfs/dbraw/zinc/79/25/05/532792505.db2.gz AZDVDMSMMPUKMQ-UHFFFAOYSA-N 1 2 391.331 2.238 20 0 GEADLO O=C(NC1CC1)[C@@H](O)C1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000548679977 532793375 /nfs/dbraw/zinc/79/33/75/532793375.db2.gz ZTGHMBAWQXFVAT-INIZCTEOSA-N 1 2 385.277 2.440 20 0 GEADLO O=C(c1cncc(I)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000270080612 532794649 /nfs/dbraw/zinc/79/46/49/532794649.db2.gz AEDXLGVXQJNITM-UHFFFAOYSA-N 1 2 397.216 2.237 20 0 GEADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c(Br)c1 ZINC000411940413 532781350 /nfs/dbraw/zinc/78/13/50/532781350.db2.gz OAQDGFAMISGCHQ-CHWSQXEVSA-N 1 2 382.302 2.495 20 0 GEADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c(Br)c1 ZINC000411940413 532781353 /nfs/dbraw/zinc/78/13/53/532781353.db2.gz OAQDGFAMISGCHQ-CHWSQXEVSA-N 1 2 382.302 2.495 20 0 GEADLO CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000411939164 532781667 /nfs/dbraw/zinc/78/16/67/532781667.db2.gz IYQMPDCAYUGJDN-JTQLQIEISA-N 1 2 388.693 2.451 20 0 GEADLO CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000411939164 532781672 /nfs/dbraw/zinc/78/16/72/532781672.db2.gz IYQMPDCAYUGJDN-JTQLQIEISA-N 1 2 388.693 2.451 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000554903157 532805739 /nfs/dbraw/zinc/80/57/39/532805739.db2.gz ZFMBJEROQJKDEW-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000554903157 532805741 /nfs/dbraw/zinc/80/57/41/532805741.db2.gz ZFMBJEROQJKDEW-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO CC[C@@H](O)CSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000412991762 532806069 /nfs/dbraw/zinc/80/60/69/532806069.db2.gz KNJHDIOUFFRCPU-CYBMUJFWSA-N 1 2 383.539 2.043 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1S(C)(=O)=O)c1ccsc1 ZINC000413100403 532806222 /nfs/dbraw/zinc/80/62/22/532806222.db2.gz IQLNOOAOBLGNGP-HNNXBMFYSA-N 1 2 381.523 2.254 20 0 GEADLO C[C@@H](c1nncn1C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000287704716 532806963 /nfs/dbraw/zinc/80/69/63/532806963.db2.gz JIZGDKGNGKDWEH-NWDGAFQWSA-N 1 2 393.289 2.384 20 0 GEADLO C[C@@H](c1nncn1C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000287704716 532806967 /nfs/dbraw/zinc/80/69/67/532806967.db2.gz JIZGDKGNGKDWEH-NWDGAFQWSA-N 1 2 393.289 2.384 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc2nccnc2c1Br ZINC000287727064 532807987 /nfs/dbraw/zinc/80/79/87/532807987.db2.gz OKCQFYYVQLSBHT-NSHDSACASA-N 1 2 394.273 2.235 20 0 GEADLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000271529912 532808281 /nfs/dbraw/zinc/80/82/81/532808281.db2.gz IHODUBHSAXCJBO-SNVBAGLBSA-N 1 2 396.232 2.400 20 0 GEADLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CCc2n[nH]cc2C1 ZINC000271529912 532808283 /nfs/dbraw/zinc/80/82/83/532808283.db2.gz IHODUBHSAXCJBO-SNVBAGLBSA-N 1 2 396.232 2.400 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2cccc(Br)c2Cl)C1 ZINC000413258805 532808583 /nfs/dbraw/zinc/80/85/83/532808583.db2.gz CSMQCYXNYFVAPK-LBPRGKRZSA-N 1 2 389.725 2.148 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2cccc(Br)c2Cl)C1 ZINC000413258805 532808586 /nfs/dbraw/zinc/80/85/86/532808586.db2.gz CSMQCYXNYFVAPK-LBPRGKRZSA-N 1 2 389.725 2.148 20 0 GEADLO O=C(C[NH+]1CCC2(CC1)CCS(=O)(=O)CC2)NCc1ccc(Cl)cc1 ZINC000555650961 532808812 /nfs/dbraw/zinc/80/88/12/532808812.db2.gz ZWUJQZWPMJSBTH-UHFFFAOYSA-N 1 2 384.929 2.247 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000555680247 532809015 /nfs/dbraw/zinc/80/90/15/532809015.db2.gz HECZGBCVJLXXIC-CABCVRRESA-N 1 2 392.297 2.175 20 0 GEADLO C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC000555703685 532809683 /nfs/dbraw/zinc/80/96/83/532809683.db2.gz JRSZDPJSPSSYAX-CZUORRHYSA-N 1 2 383.945 2.413 20 0 GEADLO COc1cccc(-c2nc(C[NH+]3CCC(CS(N)(=O)=O)CC3)cs2)c1 ZINC000270539190 532799295 /nfs/dbraw/zinc/79/92/95/532799295.db2.gz HGHPZSKXIWHOIZ-UHFFFAOYSA-N 1 2 381.523 2.319 20 0 GEADLO C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270664407 532800664 /nfs/dbraw/zinc/80/06/64/532800664.db2.gz RAPWGUKJEGBPEU-WFASDCNBSA-N 1 2 390.908 2.411 20 0 GEADLO C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270664407 532800668 /nfs/dbraw/zinc/80/06/68/532800668.db2.gz RAPWGUKJEGBPEU-WFASDCNBSA-N 1 2 390.908 2.411 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@@H](NS(=O)(=O)c2ccccn2)c2ccc(Cl)cc2)C1 ZINC000551936516 532802461 /nfs/dbraw/zinc/80/24/61/532802461.db2.gz TXNKNGILCRNPDI-WBVHZDCISA-N 1 2 381.885 2.085 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@@H](NS(=O)(=O)c2ccccn2)c2ccc(Cl)cc2)C1 ZINC000551936516 532802464 /nfs/dbraw/zinc/80/24/64/532802464.db2.gz TXNKNGILCRNPDI-WBVHZDCISA-N 1 2 381.885 2.085 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](NS(=O)(=O)c2ccccn2)c2ccc(Cl)cc2)C1 ZINC000551936515 532802658 /nfs/dbraw/zinc/80/26/58/532802658.db2.gz TXNKNGILCRNPDI-RDJZCZTQSA-N 1 2 381.885 2.085 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](NS(=O)(=O)c2ccccn2)c2ccc(Cl)cc2)C1 ZINC000551936515 532802659 /nfs/dbraw/zinc/80/26/59/532802659.db2.gz TXNKNGILCRNPDI-RDJZCZTQSA-N 1 2 381.885 2.085 20 0 GEADLO C[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)c1cscn1 ZINC000271172103 532803607 /nfs/dbraw/zinc/80/36/07/532803607.db2.gz UJORSNFINUFWCV-CQSZACIVSA-N 1 2 381.523 2.156 20 0 GEADLO Cc1ccc(Br)cc1-c1nnc(NC[C@H]2C[N@H+](C)CCO2)s1 ZINC000329876890 532812659 /nfs/dbraw/zinc/81/26/59/532812659.db2.gz IMRQLUVGBVFHCB-LBPRGKRZSA-N 1 2 383.315 3.019 20 0 GEADLO Cc1ccc(Br)cc1-c1nnc(NC[C@H]2C[N@@H+](C)CCO2)s1 ZINC000329876890 532812661 /nfs/dbraw/zinc/81/26/61/532812661.db2.gz IMRQLUVGBVFHCB-LBPRGKRZSA-N 1 2 383.315 3.019 20 0 GEADLO CC[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000329806113 532811945 /nfs/dbraw/zinc/81/19/45/532811945.db2.gz LCZJDEQRECMQON-AAEUAGOBSA-N 1 2 397.317 2.232 20 0 GEADLO O=S1(=O)CCC[C@@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000271796565 532812141 /nfs/dbraw/zinc/81/21/41/532812141.db2.gz JICDKVDXPLDDHU-SECBINFHSA-N 1 2 382.795 2.068 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)C2CC[NH+](CC(F)F)CC2)s1 ZINC000287950526 532813740 /nfs/dbraw/zinc/81/37/40/532813740.db2.gz GOOAKJMYKNVPJY-UHFFFAOYSA-N 1 2 380.482 2.135 20 0 GEADLO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000330206069 532815682 /nfs/dbraw/zinc/81/56/82/532815682.db2.gz DWZKYGHZVNTYCV-VXGBXAGGSA-N 1 2 381.889 2.349 20 0 GEADLO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000330206069 532815683 /nfs/dbraw/zinc/81/56/83/532815683.db2.gz DWZKYGHZVNTYCV-VXGBXAGGSA-N 1 2 381.889 2.349 20 0 GEADLO CCS(=O)(=O)CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000413860636 532815910 /nfs/dbraw/zinc/81/59/10/532815910.db2.gz PAEZWGAOAOSEIY-HNNXBMFYSA-N 1 2 375.922 2.067 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000413965290 532816479 /nfs/dbraw/zinc/81/64/79/532816479.db2.gz HCGJSHHWPSZUAF-UHFFFAOYSA-N 1 2 377.432 2.420 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000330226156 532816563 /nfs/dbraw/zinc/81/65/63/532816563.db2.gz BJMXXUHQKLGASL-UHFFFAOYSA-N 1 2 389.308 2.064 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000330226156 532816565 /nfs/dbraw/zinc/81/65/65/532816565.db2.gz BJMXXUHQKLGASL-UHFFFAOYSA-N 1 2 389.308 2.064 20 0 GEADLO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000414064065 532818784 /nfs/dbraw/zinc/81/87/84/532818784.db2.gz FIFSTJZCULKYGY-QWRGUYRKSA-N 1 2 383.495 2.250 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000414048995 532818107 /nfs/dbraw/zinc/81/81/07/532818107.db2.gz ZSGDRUGAKRTKEM-ZDUSSCGKSA-N 1 2 383.221 2.306 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000414048995 532818109 /nfs/dbraw/zinc/81/81/09/532818109.db2.gz ZSGDRUGAKRTKEM-ZDUSSCGKSA-N 1 2 383.221 2.306 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)C[C@@H]3COC(=O)C3)[nH+]c12 ZINC000273325934 532823066 /nfs/dbraw/zinc/82/30/66/532823066.db2.gz SSTRTIPGTDYGTA-NSHDSACASA-N 1 2 380.242 2.017 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1c[nH+]cn1C ZINC000414417732 532825401 /nfs/dbraw/zinc/82/54/01/532825401.db2.gz PWZNFKPIGBNZIS-JTQLQIEISA-N 1 2 375.372 2.381 20 0 GEADLO Cc1cc(Br)cn2cc(CCNS(=O)(=O)Cc3ccon3)[nH+]c12 ZINC000273518637 532825804 /nfs/dbraw/zinc/82/58/04/532825804.db2.gz NLXUAWNCNLCEPH-UHFFFAOYSA-N 1 2 399.270 2.055 20 0 GEADLO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330772911 532826719 /nfs/dbraw/zinc/82/67/19/532826719.db2.gz WUMOEBFOGYICFX-UHFFFAOYSA-N 1 2 375.281 2.223 20 0 GEADLO C[C@@H](CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)Oc1cccc(Br)c1 ZINC000288300992 532824081 /nfs/dbraw/zinc/82/40/81/532824081.db2.gz LNWGAXLNDGHFGU-HZMBPMFUSA-N 1 2 393.241 2.103 20 0 GEADLO C[C@@H](CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)Oc1cccc(Br)c1 ZINC000288300992 532824085 /nfs/dbraw/zinc/82/40/85/532824085.db2.gz LNWGAXLNDGHFGU-HZMBPMFUSA-N 1 2 393.241 2.103 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H](O)C3CC3)[nH+]c12 ZINC000273426235 532824190 /nfs/dbraw/zinc/82/41/90/532824190.db2.gz JIKGHBMNFVZUIQ-AWEZNQCLSA-N 1 2 381.274 2.018 20 0 GEADLO COc1ccc(S(=O)(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)c(Cl)c1 ZINC000414451238 532827418 /nfs/dbraw/zinc/82/74/18/532827418.db2.gz JBUBWWUYXKZHPK-UHFFFAOYSA-N 1 2 388.877 2.007 20 0 GEADLO CNc1nnc(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)s1 ZINC000273606405 532828044 /nfs/dbraw/zinc/82/80/44/532828044.db2.gz WQBPBPCGGVSTQY-CQSZACIVSA-N 1 2 376.873 2.415 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000330854866 532828117 /nfs/dbraw/zinc/82/81/17/532828117.db2.gz HOXAEUHOBQWULB-RYUDHWBXSA-N 1 2 389.315 2.143 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000330854866 532828118 /nfs/dbraw/zinc/82/81/18/532828118.db2.gz HOXAEUHOBQWULB-RYUDHWBXSA-N 1 2 389.315 2.143 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000414460346 532829067 /nfs/dbraw/zinc/82/90/67/532829067.db2.gz QDYXLFNLJLCDGH-GFCCVEGCSA-N 1 2 385.873 2.328 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)c(OC)cc2Cl)CC1 ZINC000330897485 532829319 /nfs/dbraw/zinc/82/93/19/532829319.db2.gz HQUFVURKQXAINU-UHFFFAOYSA-N 1 2 382.313 2.020 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000414468526 532829504 /nfs/dbraw/zinc/82/95/04/532829504.db2.gz KGVLDQNQFYEJMA-NSHDSACASA-N 1 2 388.287 2.269 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c(Br)c1O ZINC000273701025 532831718 /nfs/dbraw/zinc/83/17/18/532831718.db2.gz DIUGBDZLAYDSAB-LBPRGKRZSA-N 1 2 384.274 2.199 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c(Br)c1O ZINC000273701025 532831719 /nfs/dbraw/zinc/83/17/19/532831719.db2.gz DIUGBDZLAYDSAB-LBPRGKRZSA-N 1 2 384.274 2.199 20 0 GEADLO COc1cc(C)c(S(=O)(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000331185196 532835314 /nfs/dbraw/zinc/83/53/14/532835314.db2.gz ISOYJEACNWOIFX-CQSZACIVSA-N 1 2 390.933 2.292 20 0 GEADLO COc1cc(C)c(S(=O)(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000331185196 532835318 /nfs/dbraw/zinc/83/53/18/532835318.db2.gz ISOYJEACNWOIFX-CQSZACIVSA-N 1 2 390.933 2.292 20 0 GEADLO Cc1cnc([C@H](C)[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cn1 ZINC000331176410 532835337 /nfs/dbraw/zinc/83/53/37/532835337.db2.gz QEGLBSMAYWDTRR-LBPRGKRZSA-N 1 2 380.436 2.134 20 0 GEADLO Cc1cnc([C@@H](C)[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cn1 ZINC000331176408 532835389 /nfs/dbraw/zinc/83/53/89/532835389.db2.gz QEGLBSMAYWDTRR-GFCCVEGCSA-N 1 2 380.436 2.134 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000273955642 532838420 /nfs/dbraw/zinc/83/84/20/532838420.db2.gz FXRSHPYMGVXOIA-CABCVRRESA-N 1 2 379.507 2.179 20 0 GEADLO Cc1cccc(C)c1-n1nnnc1C[N@H+](C)CCn1cc(Br)cn1 ZINC000288813138 532839259 /nfs/dbraw/zinc/83/92/59/532839259.db2.gz MPWYKUJXKWTJQZ-UHFFFAOYSA-N 1 2 390.289 2.370 20 0 GEADLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](C)CCn1cc(Br)cn1 ZINC000288813138 532839262 /nfs/dbraw/zinc/83/92/62/532839262.db2.gz MPWYKUJXKWTJQZ-UHFFFAOYSA-N 1 2 390.289 2.370 20 0 GEADLO C[C@H](CCC[NH3+])NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000415244826 532839842 /nfs/dbraw/zinc/83/98/42/532839842.db2.gz NRTHJMKHDSCPNQ-LLVKDONJSA-N 1 2 383.499 2.193 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc(F)cc1 ZINC000012627742 206246177 /nfs/dbraw/zinc/24/61/77/206246177.db2.gz DZTMCNYPWMMYFH-IBGZPJMESA-N 1 2 391.406 2.244 20 0 GEADLO Cn1c[nH+]cc1[C@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)CCO1 ZINC000328617660 206234074 /nfs/dbraw/zinc/23/40/74/206234074.db2.gz CZASRRLAYUEVRL-HNAYVOBHSA-N 1 2 390.509 2.001 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)c(C)c1F ZINC000328634257 206236183 /nfs/dbraw/zinc/23/61/83/206236183.db2.gz TXHKPAUMEADJHI-WFASDCNBSA-N 1 2 383.445 2.075 20 0 GEADLO COC(=O)c1ccnc(N2CCC[N@@H+]([C@H](C(=O)OC)c3ccccc3)CC2)c1 ZINC000359872708 206265851 /nfs/dbraw/zinc/26/58/51/206265851.db2.gz PPYHCYCIOLHTHQ-IBGZPJMESA-N 1 2 383.448 2.295 20 0 GEADLO COC(=O)c1ccnc(N2CCC[N@H+]([C@H](C(=O)OC)c3ccccc3)CC2)c1 ZINC000359872708 206265855 /nfs/dbraw/zinc/26/58/55/206265855.db2.gz PPYHCYCIOLHTHQ-IBGZPJMESA-N 1 2 383.448 2.295 20 0 GEADLO NC(=O)N[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC000274196245 532843900 /nfs/dbraw/zinc/84/39/00/532843900.db2.gz JPGLAYMDZNBRPP-VIFPVBQESA-N 1 2 392.095 2.036 20 0 GEADLO NC(=O)N[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC000274196245 532843902 /nfs/dbraw/zinc/84/39/02/532843902.db2.gz JPGLAYMDZNBRPP-VIFPVBQESA-N 1 2 392.095 2.036 20 0 GEADLO COc1ccc(C(=O)C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)cc1Cl ZINC000274230096 532844930 /nfs/dbraw/zinc/84/49/30/532844930.db2.gz PKTOYTDSYWFTOE-NSHDSACASA-N 1 2 381.885 2.167 20 0 GEADLO COc1ccc(C(=O)C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)cc1Cl ZINC000274230093 532845026 /nfs/dbraw/zinc/84/50/26/532845026.db2.gz PKTOYTDSYWFTOE-LLVKDONJSA-N 1 2 381.885 2.167 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000274253745 532845881 /nfs/dbraw/zinc/84/58/81/532845881.db2.gz SRVANUSNGUSJHH-JTQLQIEISA-N 1 2 396.245 2.128 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000274253745 532845884 /nfs/dbraw/zinc/84/58/84/532845884.db2.gz SRVANUSNGUSJHH-JTQLQIEISA-N 1 2 396.245 2.128 20 0 GEADLO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274255017 532846599 /nfs/dbraw/zinc/84/65/99/532846599.db2.gz YIKLSQBZSHLRCP-YOEHRIQHSA-N 1 2 390.933 2.058 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N(C)Cc3nccn3C)[nH+]c12 ZINC000274277804 532847104 /nfs/dbraw/zinc/84/71/04/532847104.db2.gz YFBKXEFNPWFBQA-UHFFFAOYSA-N 1 2 391.273 2.480 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NC[C@]3(O)CCSC3)[nH+]c12 ZINC000274274842 532847185 /nfs/dbraw/zinc/84/71/85/532847185.db2.gz XQZVLKYDJAWHQA-OAHLLOKOSA-N 1 2 399.314 2.072 20 0 GEADLO COc1ccccc1S(=O)(=O)CCCSc1[nH+]cnc2c1cnn2C ZINC000274309486 532847288 /nfs/dbraw/zinc/84/72/88/532847288.db2.gz PYUJVGAZZBESBD-UHFFFAOYSA-N 1 2 378.479 2.328 20 0 GEADLO C[C@@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)[C@@H](C)[NH+]1CCOCC1 ZINC000332027151 532848126 /nfs/dbraw/zinc/84/81/26/532848126.db2.gz NHRJQYYGQSXVMN-CHWSQXEVSA-N 1 2 395.297 2.450 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1ncc(C2OCCO2)s1)c1ccc(Cl)cc1 ZINC000289348837 532852974 /nfs/dbraw/zinc/85/29/74/532852974.db2.gz XCDSICXIWVPGFP-UHFFFAOYSA-N 1 2 388.898 2.405 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000274638318 532853340 /nfs/dbraw/zinc/85/33/40/532853340.db2.gz YQXCMWQDCAMKRZ-UHFFFAOYSA-N 1 2 377.794 2.253 20 0 GEADLO COc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc(OC)c1Br ZINC000332506982 532856777 /nfs/dbraw/zinc/85/67/77/532856777.db2.gz ILXSMBTWPCYNHG-OLZOCXBDSA-N 1 2 399.285 2.011 20 0 GEADLO COc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc(OC)c1Br ZINC000332506982 532856779 /nfs/dbraw/zinc/85/67/79/532856779.db2.gz ILXSMBTWPCYNHG-OLZOCXBDSA-N 1 2 399.285 2.011 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1 ZINC000332521459 532856767 /nfs/dbraw/zinc/85/67/67/532856767.db2.gz AGZKEVQMXTVUDK-DOMZBBRYSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1 ZINC000332521459 532856770 /nfs/dbraw/zinc/85/67/70/532856770.db2.gz AGZKEVQMXTVUDK-DOMZBBRYSA-N 1 2 386.901 2.374 20 0 GEADLO O=S(=O)(NC[C@@H]1CCc2[nH+]ccn2C1)c1cc(C(F)(F)F)ccc1O ZINC000332587242 532857580 /nfs/dbraw/zinc/85/75/80/532857580.db2.gz KPBHBEHVBAGZQU-JTQLQIEISA-N 1 2 375.372 2.148 20 0 GEADLO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000274871464 532858193 /nfs/dbraw/zinc/85/81/93/532858193.db2.gz DWLYVKKZDOQJGV-CABCVRRESA-N 1 2 382.551 2.216 20 0 GEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1cccc(I)c1 ZINC000289582869 532859943 /nfs/dbraw/zinc/85/99/43/532859943.db2.gz RLWJGYGGCWTXGN-BETUJISGSA-N 1 2 384.217 2.426 20 0 GEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1cccc(I)c1 ZINC000289582869 532859945 /nfs/dbraw/zinc/85/99/45/532859945.db2.gz RLWJGYGGCWTXGN-BETUJISGSA-N 1 2 384.217 2.426 20 0 GEADLO CS(=O)(=O)C1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCC1 ZINC000289588487 532859949 /nfs/dbraw/zinc/85/99/49/532859949.db2.gz UABUZFOGYDEFKX-UHFFFAOYSA-N 1 2 399.314 2.087 20 0 GEADLO C[C@](O)(C[NH2+]Cc1cn(-c2ccccc2Br)nn1)C(F)(F)F ZINC000289622587 532860812 /nfs/dbraw/zinc/86/08/12/532860812.db2.gz WJIRQPYIRKJPNB-LBPRGKRZSA-N 1 2 379.180 2.433 20 0 GEADLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cc2c(cc1Br)OCCCO2 ZINC000332825271 532861566 /nfs/dbraw/zinc/86/15/66/532861566.db2.gz UEFVOUSPDYGLAC-OLZOCXBDSA-N 1 2 381.270 2.463 20 0 GEADLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cc2c(cc1Br)OCCCO2 ZINC000332825271 532861569 /nfs/dbraw/zinc/86/15/69/532861569.db2.gz UEFVOUSPDYGLAC-OLZOCXBDSA-N 1 2 381.270 2.463 20 0 GEADLO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CCn2cc[nH+]c2C1 ZINC000333343041 532867067 /nfs/dbraw/zinc/86/70/67/532867067.db2.gz UBCHKXJDBUEXGL-LBPRGKRZSA-N 1 2 392.253 2.296 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[NH2+]C2(c3nc(C)cs3)CCC2)n1 ZINC000275224168 532869084 /nfs/dbraw/zinc/86/90/84/532869084.db2.gz UXIZOKCVSWAQNG-UHFFFAOYSA-N 1 2 380.495 2.231 20 0 GEADLO COC(C)(C)CS(=O)(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000289978364 532869660 /nfs/dbraw/zinc/86/96/60/532869660.db2.gz UXZZWLXSZVAFAW-UHFFFAOYSA-N 1 2 390.303 2.250 20 0 GEADLO C[NH+](C)C1(CNC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC1 ZINC000416303754 532870493 /nfs/dbraw/zinc/87/04/93/532870493.db2.gz SIVIXSGGADEPRY-UHFFFAOYSA-N 1 2 379.507 2.373 20 0 GEADLO CN1C(=O)N[C@]2(CCN(c3cc[nH+]c4cc(F)c(Br)cc43)C2)C1=O ZINC000333526437 532870734 /nfs/dbraw/zinc/87/07/34/532870734.db2.gz ICEHMMPVKSTJMJ-INIZCTEOSA-N 1 2 393.216 2.267 20 0 GEADLO C[C@H]1OCC[C@]12CN(C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)CCO2 ZINC000333693824 532872009 /nfs/dbraw/zinc/87/20/09/532872009.db2.gz QSPBSLWNQGCZQY-BZNIZROVSA-N 1 2 399.289 2.322 20 0 GEADLO C[C@H]1c2nncn2CCN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000333704002 532872031 /nfs/dbraw/zinc/87/20/31/532872031.db2.gz RXGDALWGKFJZKJ-VIFPVBQESA-N 1 2 380.250 2.110 20 0 GEADLO CN(C)c1cc(NC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)[nH+]cc1Br ZINC000333746178 532873160 /nfs/dbraw/zinc/87/31/60/532873160.db2.gz YUDSLMZSGJXZAQ-MEDUHNTESA-N 1 2 399.289 2.370 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(Br)c4cccnc34)C[C@@H]2N1 ZINC000333875324 532874473 /nfs/dbraw/zinc/87/44/73/532874473.db2.gz VITBARZYHYSZLQ-GJZGRUSLSA-N 1 2 376.254 2.087 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3ccc(Br)c4cccnc34)C[C@@H]2N1 ZINC000333875324 532874475 /nfs/dbraw/zinc/87/44/75/532874475.db2.gz VITBARZYHYSZLQ-GJZGRUSLSA-N 1 2 376.254 2.087 20 0 GEADLO C[C@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[S@@]1=O ZINC000333910801 532875675 /nfs/dbraw/zinc/87/56/75/532875675.db2.gz XBHFDWUHTKMLEU-MGUXCZDKSA-N 1 2 389.319 2.285 20 0 GEADLO C[C@@H](NC(=O)c1cc(Cl)ncc1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000290246814 532876406 /nfs/dbraw/zinc/87/64/06/532876406.db2.gz MRFMZOPWUPJTCE-NXEZZACHSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000290282515 532876828 /nfs/dbraw/zinc/87/68/28/532876828.db2.gz VQUBKFIEIDFHJL-IUODEOHRSA-N 1 2 378.416 2.189 20 0 GEADLO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290325410 532878163 /nfs/dbraw/zinc/87/81/63/532878163.db2.gz LKZFCSITWMALCU-UHFFFAOYSA-N 1 2 377.242 2.243 20 0 GEADLO CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000334047570 532878292 /nfs/dbraw/zinc/87/82/92/532878292.db2.gz HHKORZRGUNRIMP-YPMHNXCESA-N 1 2 383.290 2.088 20 0 GEADLO CNC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000334047570 532878293 /nfs/dbraw/zinc/87/82/93/532878293.db2.gz HHKORZRGUNRIMP-YPMHNXCESA-N 1 2 383.290 2.088 20 0 GEADLO COCC[N@H+](Cc1ccc(C)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000275548066 532878311 /nfs/dbraw/zinc/87/83/11/532878311.db2.gz BMOMKWSMTGAHSU-CQSZACIVSA-N 1 2 376.316 2.393 20 0 GEADLO COCC[N@@H+](Cc1ccc(C)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000275548066 532878312 /nfs/dbraw/zinc/87/83/12/532878312.db2.gz BMOMKWSMTGAHSU-CQSZACIVSA-N 1 2 376.316 2.393 20 0 GEADLO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000348982257 532880031 /nfs/dbraw/zinc/88/00/31/532880031.db2.gz FYEIZTCLDWWKLE-CYBMUJFWSA-N 1 2 389.253 2.494 20 0 GEADLO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000348982257 532880033 /nfs/dbraw/zinc/88/00/33/532880033.db2.gz FYEIZTCLDWWKLE-CYBMUJFWSA-N 1 2 389.253 2.494 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000275622080 532880121 /nfs/dbraw/zinc/88/01/21/532880121.db2.gz LLDOMFSGAMZAFN-UHFFFAOYSA-N 1 2 376.507 2.496 20 0 GEADLO O=C1N[C@@H](c2ccsc2)C(=O)N1C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000349356872 532880537 /nfs/dbraw/zinc/88/05/37/532880537.db2.gz XCXRLMYNYHDAPC-HIFRSBDPSA-N 1 2 377.491 2.476 20 0 GEADLO CSc1nnc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)s1 ZINC000275928192 532886237 /nfs/dbraw/zinc/88/62/37/532886237.db2.gz VKZOXXQMJLIOOW-HNNXBMFYSA-N 1 2 378.523 2.074 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N1CC[C@]12CCOC2 ZINC000421166005 532889121 /nfs/dbraw/zinc/88/91/21/532889121.db2.gz YSBANSVHEJFZSG-MRXNPFEDSA-N 1 2 397.273 2.077 20 0 GEADLO C[C@@H]1CC[C@@H](O)CN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000421165961 532889223 /nfs/dbraw/zinc/88/92/23/532889223.db2.gz YJWXSNMEWXILNK-VXGBXAGGSA-N 1 2 399.289 2.058 20 0 GEADLO C[C@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000290849867 532890886 /nfs/dbraw/zinc/89/08/86/532890886.db2.gz JPVIJHJPKJDZJA-NSHDSACASA-N 1 2 376.404 2.407 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000290850316 532890923 /nfs/dbraw/zinc/89/09/23/532890923.db2.gz PQTVWBNPDOUAPQ-CYBMUJFWSA-N 1 2 378.274 2.261 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)n1 ZINC000276237893 532891654 /nfs/dbraw/zinc/89/16/54/532891654.db2.gz LNONMWDLBUWPRM-JTQLQIEISA-N 1 2 379.404 2.460 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)n1 ZINC000276237893 532891655 /nfs/dbraw/zinc/89/16/55/532891655.db2.gz LNONMWDLBUWPRM-JTQLQIEISA-N 1 2 379.404 2.460 20 0 GEADLO Cc1cc(Br)cn2cc(CNS(=O)(=O)[C@@H]3CCO[C@@H]3C)[nH+]c12 ZINC000276269555 532892182 /nfs/dbraw/zinc/89/21/82/532892182.db2.gz ZHCZIKGKHYWUMR-ZWNOBZJWSA-N 1 2 388.287 2.002 20 0 GEADLO C[C@H](Oc1ccc(I)cc1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290906855 532892187 /nfs/dbraw/zinc/89/21/87/532892187.db2.gz IJYFREPSTLBYJI-NSHDSACASA-N 1 2 397.216 2.297 20 0 GEADLO COCC1(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)CCOCC1 ZINC000290835742 532890509 /nfs/dbraw/zinc/89/05/09/532890509.db2.gz XLLGPMBGPZXLRA-UHFFFAOYSA-N 1 2 396.285 2.465 20 0 GEADLO O=C(CCOc1cccc(I)c1)N1CCn2c[nH+]cc2C1 ZINC000290992665 532894072 /nfs/dbraw/zinc/89/40/72/532894072.db2.gz XLYZZWYHJPADAC-UHFFFAOYSA-N 1 2 397.216 2.299 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000361954779 532894564 /nfs/dbraw/zinc/89/45/64/532894564.db2.gz GUCRPWJOJOFYDJ-DZGCQCFKSA-N 1 2 387.933 2.378 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000361954779 532894565 /nfs/dbraw/zinc/89/45/65/532894565.db2.gz GUCRPWJOJOFYDJ-DZGCQCFKSA-N 1 2 387.933 2.378 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[S@@](=O)Cc2cn3ccccc3[nH+]2)s1 ZINC000424602226 532895851 /nfs/dbraw/zinc/89/58/51/532895851.db2.gz LOTVEBRFVALWJG-QHCPKHFHSA-N 1 2 383.520 2.095 20 0 GEADLO Cc1cccc2[nH+]c(C[S@](=O)Cc3ccc(S(=O)(=O)N(C)C)s3)cn21 ZINC000424613516 532896261 /nfs/dbraw/zinc/89/62/61/532896261.db2.gz ZSDVDXDUUIUAHG-DEOSSOPVSA-N 1 2 397.547 2.403 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)C1 ZINC000362639962 532896800 /nfs/dbraw/zinc/89/68/00/532896800.db2.gz LVFDWQDQYHXJCA-CQSZACIVSA-N 1 2 386.880 2.097 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)C1 ZINC000362639962 532896801 /nfs/dbraw/zinc/89/68/01/532896801.db2.gz LVFDWQDQYHXJCA-CQSZACIVSA-N 1 2 386.880 2.097 20 0 GEADLO CC(C)[C@H](NC(=O)CNC(=O)c1cccc(Br)c1)c1[nH]cc[nH+]1 ZINC000276541964 532898051 /nfs/dbraw/zinc/89/80/51/532898051.db2.gz FFINKBVAYXGMES-AWEZNQCLSA-N 1 2 379.258 2.416 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccc(Br)o2)CCN1c1nccn2cnnc12 ZINC000276727218 532900272 /nfs/dbraw/zinc/90/02/72/532900272.db2.gz GJOLHSORQBHFAK-LLVKDONJSA-N 1 2 377.246 2.191 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccc(Br)o2)CCN1c1nccn2cnnc12 ZINC000276727218 532900274 /nfs/dbraw/zinc/90/02/74/532900274.db2.gz GJOLHSORQBHFAK-LLVKDONJSA-N 1 2 377.246 2.191 20 0 GEADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1sc2ccccc2c1Br ZINC000291204205 532898504 /nfs/dbraw/zinc/89/85/04/532898504.db2.gz GKVBFIURRJTOSD-LLVKDONJSA-N 1 2 380.311 2.393 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363928516 532901974 /nfs/dbraw/zinc/90/19/74/532901974.db2.gz CCUJOEMLSDNVEU-ZFWWWQNUSA-N 1 2 383.286 2.150 20 0 GEADLO O=C1C[C@@]2(CC[N@@H+](Cc3c(Br)cncc3Br)C2)CN1 ZINC000291446590 532902091 /nfs/dbraw/zinc/90/20/91/532902091.db2.gz CEWDDDLHJQVNTJ-ZDUSSCGKSA-N 1 2 389.091 2.319 20 0 GEADLO O=C1C[C@@]2(CC[N@H+](Cc3c(Br)cncc3Br)C2)CN1 ZINC000291446590 532902092 /nfs/dbraw/zinc/90/20/92/532902092.db2.gz CEWDDDLHJQVNTJ-ZDUSSCGKSA-N 1 2 389.091 2.319 20 0 GEADLO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000363932687 532902289 /nfs/dbraw/zinc/90/22/89/532902289.db2.gz FSAFRHLYPBRXHQ-ZDUSSCGKSA-N 1 2 381.527 2.263 20 0 GEADLO O=C1N[C@@]2(CCSC2)C(=O)N1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000364116503 532904083 /nfs/dbraw/zinc/90/40/83/532904083.db2.gz YOHXJRGVMRGBKR-CQSZACIVSA-N 1 2 381.255 2.024 20 0 GEADLO COc1cc2nc(NCCCNC(=O)c3ccccc3)[nH+]c(N)c2cc1OC ZINC000026566357 207316397 /nfs/dbraw/zinc/31/63/97/207316397.db2.gz TYQOAVKXBQENSU-UHFFFAOYSA-N 1 2 381.436 2.461 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291861009 532909811 /nfs/dbraw/zinc/90/98/11/532909811.db2.gz PIJBVOFPWCQIED-CYBMUJFWSA-N 1 2 391.256 2.357 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291861009 532909813 /nfs/dbraw/zinc/90/98/13/532909813.db2.gz PIJBVOFPWCQIED-CYBMUJFWSA-N 1 2 391.256 2.357 20 0 GEADLO CSc1nc2ncnc(NC[C@@]3([NH+]4CCOCC4)CCSC3)c2s1 ZINC000364844863 532908564 /nfs/dbraw/zinc/90/85/64/532908564.db2.gz SXIXOVXBNVGEQP-HNNXBMFYSA-N 1 2 383.568 2.428 20 0 GEADLO CS(=O)(=O)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000292289949 532915065 /nfs/dbraw/zinc/91/50/65/532915065.db2.gz RLIWENSLMMQKHC-IAQYHMDHSA-N 1 2 391.320 2.465 20 0 GEADLO CS(=O)(=O)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000292289949 532915066 /nfs/dbraw/zinc/91/50/66/532915066.db2.gz RLIWENSLMMQKHC-IAQYHMDHSA-N 1 2 391.320 2.465 20 0 GEADLO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366460392 532917426 /nfs/dbraw/zinc/91/74/26/532917426.db2.gz YSEGRGCYQXOPCQ-NSHDSACASA-N 1 2 378.420 2.167 20 0 GEADLO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366460392 532917427 /nfs/dbraw/zinc/91/74/27/532917427.db2.gz YSEGRGCYQXOPCQ-NSHDSACASA-N 1 2 378.420 2.167 20 0 GEADLO Cc1csc(NC(=O)[C@H]2CCC[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C2)n1 ZINC000366452101 532917433 /nfs/dbraw/zinc/91/74/33/532917433.db2.gz UQEUCHCWWGNQJE-QWRGUYRKSA-N 1 2 378.420 2.169 20 0 GEADLO Cc1csc(NC(=O)[C@H]2CCC[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C2)n1 ZINC000366452101 532917434 /nfs/dbraw/zinc/91/74/34/532917434.db2.gz UQEUCHCWWGNQJE-QWRGUYRKSA-N 1 2 378.420 2.169 20 0 GEADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000366910660 532922005 /nfs/dbraw/zinc/92/20/05/532922005.db2.gz KHPKWMFKPGXSCF-ZDUSSCGKSA-N 1 2 399.925 2.144 20 0 GEADLO NS(=O)(=O)c1cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)ccc1Cl ZINC000366945142 532922116 /nfs/dbraw/zinc/92/21/16/532922116.db2.gz JNRCKHPSQZEZLP-OAHLLOKOSA-N 1 2 379.869 2.200 20 0 GEADLO NS(=O)(=O)c1cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)ccc1Cl ZINC000366945142 532922118 /nfs/dbraw/zinc/92/21/18/532922118.db2.gz JNRCKHPSQZEZLP-OAHLLOKOSA-N 1 2 379.869 2.200 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000366639335 532919572 /nfs/dbraw/zinc/91/95/72/532919572.db2.gz IDYNVOPZVCKVIM-GFCCVEGCSA-N 1 2 378.274 2.315 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000366639335 532919573 /nfs/dbraw/zinc/91/95/73/532919573.db2.gz IDYNVOPZVCKVIM-GFCCVEGCSA-N 1 2 378.274 2.315 20 0 GEADLO O=C1CO[C@@H]2CC[N@@H+](Cc3ccc(Br)c4cccnc34)C[C@@H]2N1 ZINC000366773573 532921035 /nfs/dbraw/zinc/92/10/35/532921035.db2.gz VITBARZYHYSZLQ-LSDHHAIUSA-N 1 2 376.254 2.087 20 0 GEADLO O=C1CO[C@@H]2CC[N@H+](Cc3ccc(Br)c4cccnc34)C[C@@H]2N1 ZINC000366773573 532921037 /nfs/dbraw/zinc/92/10/37/532921037.db2.gz VITBARZYHYSZLQ-LSDHHAIUSA-N 1 2 376.254 2.087 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c(Br)c1 ZINC000367361302 532924417 /nfs/dbraw/zinc/92/44/17/532924417.db2.gz OQNMRUXGTXUHHF-CQSZACIVSA-N 1 2 389.315 2.114 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c(Br)c1 ZINC000367361302 532924418 /nfs/dbraw/zinc/92/44/18/532924418.db2.gz OQNMRUXGTXUHHF-CQSZACIVSA-N 1 2 389.315 2.114 20 0 GEADLO C[NH+]1CCC([N@@H+]2CC[C@H](N=c3[n-]c(C(Cl)(Cl)Cl)ns3)C2)CC1 ZINC000367429562 532924656 /nfs/dbraw/zinc/92/46/56/532924656.db2.gz JGNKLLUXOSPLIX-VIFPVBQESA-N 1 2 384.764 2.367 20 0 GEADLO C[NH+]1CCC([N@H+]2CC[C@H](N=c3[n-]c(C(Cl)(Cl)Cl)ns3)C2)CC1 ZINC000367429562 532924657 /nfs/dbraw/zinc/92/46/57/532924657.db2.gz JGNKLLUXOSPLIX-VIFPVBQESA-N 1 2 384.764 2.367 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000293420389 532926527 /nfs/dbraw/zinc/92/65/27/532926527.db2.gz SRJBHFNPIANUNI-IAQYHMDHSA-N 1 2 394.306 2.378 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000293420389 532926529 /nfs/dbraw/zinc/92/65/29/532926529.db2.gz SRJBHFNPIANUNI-IAQYHMDHSA-N 1 2 394.306 2.378 20 0 GEADLO O=S1(=O)CC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C[C@H]21 ZINC000367690810 532926556 /nfs/dbraw/zinc/92/65/56/532926556.db2.gz ZMPQEOCIMNIXBV-XJKSGUPXSA-N 1 2 396.310 2.254 20 0 GEADLO O=S1(=O)CC[C@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C[C@H]21 ZINC000367690810 532926558 /nfs/dbraw/zinc/92/65/58/532926558.db2.gz ZMPQEOCIMNIXBV-XJKSGUPXSA-N 1 2 396.310 2.254 20 0 GEADLO COCCn1nnc2c1CC[N@H+](Cc1cc(Br)ccc1OC)C2 ZINC000293516048 532927943 /nfs/dbraw/zinc/92/79/43/532927943.db2.gz IIJBJAUHGLHCJJ-UHFFFAOYSA-N 1 2 381.274 2.254 20 0 GEADLO COCCn1nnc2c1CC[N@@H+](Cc1cc(Br)ccc1OC)C2 ZINC000293516048 532927944 /nfs/dbraw/zinc/92/79/44/532927944.db2.gz IIJBJAUHGLHCJJ-UHFFFAOYSA-N 1 2 381.274 2.254 20 0 GEADLO COC(=O)C1=NOC2(C1)CC[NH+]([C@@H](C)c1ncc(Br)cn1)CC2 ZINC000367890678 532928624 /nfs/dbraw/zinc/92/86/24/532928624.db2.gz HQXXMQQUJFCROW-JTQLQIEISA-N 1 2 383.246 2.084 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC000368030959 532929589 /nfs/dbraw/zinc/92/95/89/532929589.db2.gz QTGMQAJQVJNPTB-LBPRGKRZSA-N 1 2 378.274 2.086 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC000368030959 532929591 /nfs/dbraw/zinc/92/95/91/532929591.db2.gz QTGMQAJQVJNPTB-LBPRGKRZSA-N 1 2 378.274 2.086 20 0 GEADLO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1nnc(S(C)(=O)=O)s1 ZINC000367613915 532925974 /nfs/dbraw/zinc/92/59/74/532925974.db2.gz GHXMOHVBPJHRNE-SOUVJXGZSA-N 1 2 381.523 2.383 20 0 GEADLO C[C@@H](C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1)[NH+]1CCN(C)CC1 ZINC000293816373 532931980 /nfs/dbraw/zinc/93/19/80/532931980.db2.gz DZFZIEVMLVLLRJ-RDJZCZTQSA-N 1 2 394.357 2.476 20 0 GEADLO C[C@@H](C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1)[NH+]1CCN(C)CC1 ZINC000293816370 532931995 /nfs/dbraw/zinc/93/19/95/532931995.db2.gz DZFZIEVMLVLLRJ-DOTOQJQBSA-N 1 2 394.357 2.476 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccnc(Br)c2)C[C@H]2CCCO2)C1 ZINC000293892479 532932839 /nfs/dbraw/zinc/93/28/39/532932839.db2.gz VHNNNVOWNAFARR-ZIAGYGMSSA-N 1 2 389.315 2.012 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccnc(Br)c2)C[C@H]2CCCO2)C1 ZINC000293892479 532932840 /nfs/dbraw/zinc/93/28/40/532932840.db2.gz VHNNNVOWNAFARR-ZIAGYGMSSA-N 1 2 389.315 2.012 20 0 GEADLO C[C@H]1[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CCS1(=O)=O ZINC000294006656 532934568 /nfs/dbraw/zinc/93/45/68/532934568.db2.gz TWDVNPQFKGCBTR-ZANVPECISA-N 1 2 375.281 2.239 20 0 GEADLO C[N@@H+]1CCC[C@@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@H]1c1cccc(Cl)c1 ZINC000369079747 532936781 /nfs/dbraw/zinc/93/67/81/532936781.db2.gz XNXGOJSVBJKDBO-GOEBONIOSA-N 1 2 384.929 2.416 20 0 GEADLO C[N@H+]1CCC[C@@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@H]1c1cccc(Cl)c1 ZINC000369079747 532936782 /nfs/dbraw/zinc/93/67/82/532936782.db2.gz XNXGOJSVBJKDBO-GOEBONIOSA-N 1 2 384.929 2.416 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000369210350 532937431 /nfs/dbraw/zinc/93/74/31/532937431.db2.gz WIAPRAXDTJLSAK-GFCCVEGCSA-N 1 2 378.274 2.261 20 0 GEADLO CC(C)(C)S(=O)(=O)CCNC(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000369284966 532937702 /nfs/dbraw/zinc/93/77/02/532937702.db2.gz LWIWQDYMLMCKON-UHFFFAOYSA-N 1 2 387.571 2.225 20 0 GEADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCc3nnc(N)cc3C2)ccc1Br ZINC000369270621 532937729 /nfs/dbraw/zinc/93/77/29/532937729.db2.gz ZITPSAMYKRZSOJ-LLVKDONJSA-N 1 2 390.285 2.515 20 0 GEADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCc3nnc(N)cc3C2)ccc1Br ZINC000369270621 532937730 /nfs/dbraw/zinc/93/77/30/532937730.db2.gz ZITPSAMYKRZSOJ-LLVKDONJSA-N 1 2 390.285 2.515 20 0 GEADLO CCS(=O)(=O)C[C@H](C)N(C)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000369283779 532937957 /nfs/dbraw/zinc/93/79/57/532937957.db2.gz DXJCAJIKMPNKAW-AWEZNQCLSA-N 1 2 387.571 2.177 20 0 GEADLO CCS(=O)(=O)CCNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000369339487 532938586 /nfs/dbraw/zinc/93/85/86/532938586.db2.gz XYOYUNLAJZIGGO-GDBMZVCRSA-N 1 2 387.933 2.067 20 0 GEADLO CCS(=O)(=O)CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000369339487 532938587 /nfs/dbraw/zinc/93/85/87/532938587.db2.gz XYOYUNLAJZIGGO-GDBMZVCRSA-N 1 2 387.933 2.067 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(-c2cc[nH]n2)s1 ZINC000370263480 532942782 /nfs/dbraw/zinc/94/27/82/532942782.db2.gz YBPMQEUURFVQOQ-QGZVFWFLSA-N 1 2 378.523 2.076 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000369737241 532940635 /nfs/dbraw/zinc/94/06/35/532940635.db2.gz GNDIWRFAFDNGRU-WMZOPIPTSA-N 1 2 379.298 2.101 20 0 GEADLO CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1 ZINC000370865161 532945875 /nfs/dbraw/zinc/94/58/75/532945875.db2.gz NQDLQXSYLKFICW-XJKSGUPXSA-N 1 2 385.555 2.138 20 0 GEADLO CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1 ZINC000370865161 532945876 /nfs/dbraw/zinc/94/58/76/532945876.db2.gz NQDLQXSYLKFICW-XJKSGUPXSA-N 1 2 385.555 2.138 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)c1cccc(Br)c1 ZINC000370549887 532944206 /nfs/dbraw/zinc/94/42/06/532944206.db2.gz RGBRYVRVJSDEHT-KRWDZBQOSA-N 1 2 383.286 2.060 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000371319201 532947463 /nfs/dbraw/zinc/94/74/63/532947463.db2.gz OTCKTVFPYZGWNF-NSHDSACASA-N 1 2 375.372 2.497 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C1 ZINC000371319122 532947557 /nfs/dbraw/zinc/94/75/57/532947557.db2.gz NVMJPVPDUMFBPX-LLVKDONJSA-N 1 2 377.857 2.195 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(Cl)cc1Cl ZINC000371362024 532947704 /nfs/dbraw/zinc/94/77/04/532947704.db2.gz UOAFXOMJTOAQKC-QMMMGPOBSA-N 1 2 388.276 2.407 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(Cl)cc1Cl ZINC000371362024 532947705 /nfs/dbraw/zinc/94/77/05/532947705.db2.gz UOAFXOMJTOAQKC-QMMMGPOBSA-N 1 2 388.276 2.407 20 0 GEADLO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000371056326 532946887 /nfs/dbraw/zinc/94/68/87/532946887.db2.gz RYDVGGJOOCRNTK-MNOVXSKESA-N 1 2 378.466 2.443 20 0 GEADLO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000371056326 532946888 /nfs/dbraw/zinc/94/68/88/532946888.db2.gz RYDVGGJOOCRNTK-MNOVXSKESA-N 1 2 378.466 2.443 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]2c2cccc(Br)c2)CC1 ZINC000371711877 532949350 /nfs/dbraw/zinc/94/93/50/532949350.db2.gz WTUZRPQIZGMSDY-GUYCJALGSA-N 1 2 394.313 2.275 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]2c2cccc(Br)c2)CC1 ZINC000371711877 532949351 /nfs/dbraw/zinc/94/93/51/532949351.db2.gz WTUZRPQIZGMSDY-GUYCJALGSA-N 1 2 394.313 2.275 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000737033491 598892887 /nfs/dbraw/zinc/89/28/87/598892887.db2.gz QMCDKQMALNOPRZ-UHFFFAOYSA-N 1 2 393.407 2.321 20 0 GEADLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000738207396 598917467 /nfs/dbraw/zinc/91/74/67/598917467.db2.gz HWNZQBQIPWPRSD-HNNXBMFYSA-N 1 2 399.480 2.195 20 0 GEADLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000738207396 598917468 /nfs/dbraw/zinc/91/74/68/598917468.db2.gz HWNZQBQIPWPRSD-HNNXBMFYSA-N 1 2 399.480 2.195 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(c2snc(Cl)c2-c2nn[nH]n2)CC1 ZINC000736202280 598944004 /nfs/dbraw/zinc/94/40/04/598944004.db2.gz IGUKOFSRYNGDJI-JTQLQIEISA-N 1 2 376.877 2.255 20 0 GEADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCOc1ccc(-c3nn[nH]n3)cc1OC)C2 ZINC000736948801 598985447 /nfs/dbraw/zinc/98/54/47/598985447.db2.gz PSPMANMWYZBUHP-UHFFFAOYSA-N 1 2 395.419 2.057 20 0 GEADLO COC(=O)c1ccc2c(c1)C[N@H+](CCOc1ccc(-c3nn[nH]n3)cc1OC)C2 ZINC000736948801 598985449 /nfs/dbraw/zinc/98/54/49/598985449.db2.gz PSPMANMWYZBUHP-UHFFFAOYSA-N 1 2 395.419 2.057 20 0 GEADLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccnc1 ZINC000735978175 599019379 /nfs/dbraw/zinc/01/93/79/599019379.db2.gz ZSYWJVYSJARCMX-MRXNPFEDSA-N 1 2 391.479 2.100 20 0 GEADLO COc1cc(C)c([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000737039862 599091785 /nfs/dbraw/zinc/09/17/85/599091785.db2.gz LLCKWSZBXCNMBT-KPZWWZAWSA-N 1 2 396.451 2.070 20 0 GEADLO CC(C)COc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735844946 599092307 /nfs/dbraw/zinc/09/23/07/599092307.db2.gz RCTUEPUZDYYZSG-GOSISDBHSA-N 1 2 380.452 2.218 20 0 GEADLO Cc1nc(C[N@@H+]2CCCN(c3ccc(Cl)c(-c4nn[nH]n4)n3)CC2)cs1 ZINC000737478930 599169998 /nfs/dbraw/zinc/16/99/98/599169998.db2.gz WFWPXFMGZNVEEZ-UHFFFAOYSA-N 1 2 390.904 2.392 20 0 GEADLO Cc1nc(C[N@H+]2CCCN(c3ccc(Cl)c(-c4nn[nH]n4)n3)CC2)cs1 ZINC000737478930 599170001 /nfs/dbraw/zinc/17/00/01/599170001.db2.gz WFWPXFMGZNVEEZ-UHFFFAOYSA-N 1 2 390.904 2.392 20 0 GEADLO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000823242247 599179718 /nfs/dbraw/zinc/17/97/18/599179718.db2.gz SFADKGBQGXCSCM-UHFFFAOYSA-N 1 2 377.383 2.181 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000735563886 599190924 /nfs/dbraw/zinc/19/09/24/599190924.db2.gz VDCOBFBAXDDLBC-CQSZACIVSA-N 1 2 397.508 2.073 20 0 GEADLO Cc1cccn2cc(CCNC(=O)Nc3cccc(-c4nn[nH]n4)c3C)[nH+]c12 ZINC000822103583 607288490 /nfs/dbraw/zinc/28/84/90/607288490.db2.gz HZMJARXTGWNLLQ-UHFFFAOYSA-N 1 2 376.424 2.495 20 0 GEADLO CC1CC[NH+](c2ccc(NC[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cc2)CC1 ZINC000820726931 607310561 /nfs/dbraw/zinc/31/05/61/607310561.db2.gz DGUYBZNYTVKAOF-OAHLLOKOSA-N 1 2 393.499 2.453 20 0 GEADLO Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000822478045 599280363 /nfs/dbraw/zinc/28/03/63/599280363.db2.gz PKCWFKVVFAGGAE-UHFFFAOYSA-N 1 2 393.386 2.217 20 0 GEADLO CN(C(=O)NCCCCC(=O)[O-])[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000635530167 598170631 /nfs/dbraw/zinc/17/06/31/598170631.db2.gz RRBJPYCFOSYQOO-QZTJIDSGSA-N 1 2 382.549 2.220 20 0 GEADLO CN(C(=O)NCCCCC(=O)[O-])[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000635530167 598170632 /nfs/dbraw/zinc/17/06/32/598170632.db2.gz RRBJPYCFOSYQOO-QZTJIDSGSA-N 1 2 382.549 2.220 20 0 GEADLO Fc1cccc(NCc2ccccc2OCC[NH+]2CCOCC2)c1-c1nn[nH]n1 ZINC000737663134 598243299 /nfs/dbraw/zinc/24/32/99/598243299.db2.gz GSRZYHZUWAHQTP-UHFFFAOYSA-N 1 2 398.442 2.329 20 0 GEADLO O=C(C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)NCCC1CCCCC1 ZINC000737882318 598251911 /nfs/dbraw/zinc/25/19/11/598251911.db2.gz HXUVHDOZYASGOK-UHFFFAOYSA-N 1 2 397.527 2.075 20 0 GEADLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736274328 598253381 /nfs/dbraw/zinc/25/33/81/598253381.db2.gz UKGGHOPFPGARBB-JFIYKMOQSA-N 1 2 397.527 2.072 20 0 GEADLO Cc1cc(C)cc(NC(=O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737250749 598255223 /nfs/dbraw/zinc/25/52/23/598255223.db2.gz OHXGYXAGDAYBPZ-UHFFFAOYSA-N 1 2 391.479 2.244 20 0 GEADLO Brc1ccsc1C[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000735376106 598285415 /nfs/dbraw/zinc/28/54/15/598285415.db2.gz XSRVFUKDSZRGOB-UHFFFAOYSA-N 1 2 391.258 2.023 20 0 GEADLO O=C(C[N@@H+]1CCCO[C@H](c2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737873659 598312103 /nfs/dbraw/zinc/31/21/03/598312103.db2.gz NMHLDOOGYGKYSH-SFHVURJKSA-N 1 2 378.436 2.269 20 0 GEADLO O=C(C[N@H+]1CCCO[C@H](c2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737873659 598312105 /nfs/dbraw/zinc/31/21/05/598312105.db2.gz NMHLDOOGYGKYSH-SFHVURJKSA-N 1 2 378.436 2.269 20 0 GEADLO Cc1nccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503351 598356507 /nfs/dbraw/zinc/35/65/07/598356507.db2.gz URNMQAGQDOXLGU-UKRRQHHQSA-N 1 2 380.456 2.036 20 0 GEADLO Cc1nccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503351 598356510 /nfs/dbraw/zinc/35/65/10/598356510.db2.gz URNMQAGQDOXLGU-UKRRQHHQSA-N 1 2 380.456 2.036 20 0 GEADLO Cc1nccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503350 598356769 /nfs/dbraw/zinc/35/67/69/598356769.db2.gz URNMQAGQDOXLGU-HIFRSBDPSA-N 1 2 380.456 2.036 20 0 GEADLO Cc1nccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503350 598356770 /nfs/dbraw/zinc/35/67/70/598356770.db2.gz URNMQAGQDOXLGU-HIFRSBDPSA-N 1 2 380.456 2.036 20 0 GEADLO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)C(=O)Nc1cccc(-c3nn[nH]n3)c1)C2 ZINC000735938987 598374520 /nfs/dbraw/zinc/37/45/20/598374520.db2.gz GPYKBGWVGJWZIX-CYBMUJFWSA-N 1 2 394.483 2.109 20 0 GEADLO Cc1csc(=Nc2ccccc2-c2nn[nH]n2)n1[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000737457585 598393197 /nfs/dbraw/zinc/39/31/97/598393197.db2.gz ZQEDMBHHTDKGQZ-AWEZNQCLSA-N 1 2 398.540 2.079 20 0 GEADLO CCOc1cccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)n1 ZINC000736656459 598406814 /nfs/dbraw/zinc/40/68/14/598406814.db2.gz YPBXGOVLXPYFKH-UHFFFAOYSA-N 1 2 383.431 2.122 20 0 GEADLO CSC[C@H](C)C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000737179550 598553236 /nfs/dbraw/zinc/55/32/36/598553236.db2.gz LPMKDTAJZPVHSK-ZDUSSCGKSA-N 1 2 397.508 2.063 20 0 GEADLO O=C(CSc1ccc(-c2nn[nH]n2)cc1)NCCCCNc1cccc[nH+]1 ZINC000737942274 598589650 /nfs/dbraw/zinc/58/96/50/598589650.db2.gz XKJPYCKQCKUAND-UHFFFAOYSA-N 1 2 383.481 2.362 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000735734519 598669970 /nfs/dbraw/zinc/66/99/70/598669970.db2.gz MQTJEJGGMGXZRW-MAUKXSAKSA-N 1 2 395.467 2.330 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736096442 598682884 /nfs/dbraw/zinc/68/28/84/598682884.db2.gz MGJLDKRCIXPGNZ-CYBMUJFWSA-N 1 2 390.407 2.069 20 0 GEADLO Cn1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cn1 ZINC000737606946 598685732 /nfs/dbraw/zinc/68/57/32/598685732.db2.gz UJFGDSBXEJNAJU-OAHLLOKOSA-N 1 2 386.847 2.029 20 0 GEADLO Cn1cc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cn1 ZINC000737606946 598685734 /nfs/dbraw/zinc/68/57/34/598685734.db2.gz UJFGDSBXEJNAJU-OAHLLOKOSA-N 1 2 386.847 2.029 20 0 GEADLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(-c2nn[nH]n2)cc1F ZINC000737002169 598727804 /nfs/dbraw/zinc/72/78/04/598727804.db2.gz LFERSBFRCXGKOC-UHFFFAOYSA-N 1 2 385.399 2.383 20 0 GEADLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(-c2nn[nH]n2)cc1F ZINC000737002169 598727805 /nfs/dbraw/zinc/72/78/05/598727805.db2.gz LFERSBFRCXGKOC-UHFFFAOYSA-N 1 2 385.399 2.383 20 0 GEADLO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CCS[C@@H](C)C1 ZINC000736293792 598766630 /nfs/dbraw/zinc/76/66/30/598766630.db2.gz VFOGPSUKTDDSCY-UWVGGRQHSA-N 1 2 378.527 2.181 20 0 GEADLO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1CCS[C@@H](C)C1 ZINC000736293792 598766632 /nfs/dbraw/zinc/76/66/32/598766632.db2.gz VFOGPSUKTDDSCY-UWVGGRQHSA-N 1 2 378.527 2.181 20 0 GEADLO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000736171925 598808363 /nfs/dbraw/zinc/80/83/63/598808363.db2.gz ZUCOELLGYMNTPZ-AWEZNQCLSA-N 1 2 381.440 2.038 20 0 GEADLO CCC/C=C/C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736439309 598819957 /nfs/dbraw/zinc/81/99/57/598819957.db2.gz ORPWPXYPEILCGA-RUDMXATFSA-N 1 2 377.452 2.420 20 0 GEADLO COc1ccccc1C(=O)N1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737139317 599310244 /nfs/dbraw/zinc/31/02/44/599310244.db2.gz VQLZFUQEKSWLHG-OAHLLOKOSA-N 1 2 392.463 2.394 20 0 GEADLO C[C@@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1cccc(-c2nn[nH]n2)c1 ZINC000820460799 599354732 /nfs/dbraw/zinc/35/47/32/599354732.db2.gz CBCZEXOXGMZXKE-GFCCVEGCSA-N 1 2 376.424 2.387 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000821736079 607371221 /nfs/dbraw/zinc/37/12/21/607371221.db2.gz AGEBWZCSLQPOMG-UHFFFAOYSA-N 1 2 380.452 2.320 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000821698597 599428274 /nfs/dbraw/zinc/42/82/74/599428274.db2.gz QOZRBWYIGXIWKD-CYBMUJFWSA-N 1 2 381.440 2.448 20 0 GEADLO O=C1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000823511995 599440182 /nfs/dbraw/zinc/44/01/82/599440182.db2.gz KIDBIAICLTZVFY-CYBMUJFWSA-N 1 2 392.341 2.374 20 0 GEADLO Cc1cccc2c(NCC(=O)N(C)Cc3ccccc3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822335369 599486196 /nfs/dbraw/zinc/48/61/96/599486196.db2.gz KJANAZALKJTBPQ-UHFFFAOYSA-N 1 2 387.447 2.216 20 0 GEADLO CCC(CC)[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCOCC1 ZINC000820892929 599509767 /nfs/dbraw/zinc/50/97/67/599509767.db2.gz HBDWBXNBFZJRJS-KSSFIOAISA-N 1 2 386.500 2.181 20 0 GEADLO CNc1cc(N2CCC[C@@H]2CNc2c(Cl)cccc2-c2nn[nH]n2)nc[nH+]1 ZINC000821637779 599532097 /nfs/dbraw/zinc/53/20/97/599532097.db2.gz TVJXRYYIBPSCTO-LLVKDONJSA-N 1 2 385.863 2.433 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCCN(c2cccnn2)CC1 ZINC000822331273 599532599 /nfs/dbraw/zinc/53/25/99/599532599.db2.gz BDVUQVILNDMCPH-UHFFFAOYSA-N 1 2 387.451 2.230 20 0 GEADLO Cc1cc(N2CCC[C@@H](Nc3ccc(Cl)c(-c4nn[nH]n4)n3)C2)nc(C)[nH+]1 ZINC000822206970 599535467 /nfs/dbraw/zinc/53/54/67/599535467.db2.gz GLJVVEQSRDXOJQ-GFCCVEGCSA-N 1 2 385.863 2.403 20 0 GEADLO Cc1cc(C)n(C[C@H]2CN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CCO2)n1 ZINC000822198599 599538802 /nfs/dbraw/zinc/53/88/02/599538802.db2.gz BLVRCOYZXLRJLQ-OAHLLOKOSA-N 1 2 390.451 2.134 20 0 GEADLO CCO[C@@H]1C[C@H](O)C12CCN(c1c(-c3nn[nH]n3)c[nH+]c3c(C)cccc31)CC2 ZINC000821361124 599571270 /nfs/dbraw/zinc/57/12/70/599571270.db2.gz SWWOHKDKGWIYKJ-DLBZAZTESA-N 1 2 394.479 2.480 20 0 GEADLO C[C@H](O)CN1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000736149625 599618881 /nfs/dbraw/zinc/61/88/81/599618881.db2.gz VEYSWEBURJJQFV-INIZCTEOSA-N 1 2 378.480 2.032 20 0 GEADLO Cc1cc(N2CCN(C(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000031493797 599699594 /nfs/dbraw/zinc/69/95/94/599699594.db2.gz YTRPSYSTHHTEMU-UHFFFAOYSA-N 1 2 392.467 2.051 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736785364 600285187 /nfs/dbraw/zinc/28/51/87/600285187.db2.gz SFLZIWIMASBXHC-SQNIBIBYSA-N 1 2 379.545 2.285 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736785364 600285189 /nfs/dbraw/zinc/28/51/89/600285189.db2.gz SFLZIWIMASBXHC-SQNIBIBYSA-N 1 2 379.545 2.285 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000736785364 600285191 /nfs/dbraw/zinc/28/51/91/600285191.db2.gz SFLZIWIMASBXHC-SQNIBIBYSA-N 1 2 379.545 2.285 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000736785364 600285192 /nfs/dbraw/zinc/28/51/92/600285192.db2.gz SFLZIWIMASBXHC-SQNIBIBYSA-N 1 2 379.545 2.285 20 0 GEADLO CCCc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]c(C)c1C(=O)[O-] ZINC000737041341 600429808 /nfs/dbraw/zinc/42/98/08/600429808.db2.gz LRHKSXJHDYCYLG-MRXNPFEDSA-N 1 2 390.528 2.214 20 0 GEADLO CCCc1c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]c(C)c1C(=O)[O-] ZINC000737041341 600429810 /nfs/dbraw/zinc/42/98/10/600429810.db2.gz LRHKSXJHDYCYLG-MRXNPFEDSA-N 1 2 390.528 2.214 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H](CO)c1ccccc1 ZINC000821593808 607449077 /nfs/dbraw/zinc/44/90/77/607449077.db2.gz KZPLGFZJIMXESP-MRXNPFEDSA-N 1 2 386.843 2.124 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H](CO)c1ccccc1 ZINC000821593808 607449079 /nfs/dbraw/zinc/44/90/79/607449079.db2.gz KZPLGFZJIMXESP-MRXNPFEDSA-N 1 2 386.843 2.124 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@](C)(C(=O)[O-])C3CC3)CC2)cc1 ZINC000827124024 601175362 /nfs/dbraw/zinc/17/53/62/601175362.db2.gz GGADODBCTKISTQ-QFIPXVFZSA-N 1 2 387.524 2.297 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CCN1c1nc2ccccc2o1 ZINC000824994512 607495667 /nfs/dbraw/zinc/49/56/67/607495667.db2.gz VAODMGRIOJHZMQ-CYBMUJFWSA-N 1 2 376.424 2.114 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)CCN1c1nc2ccccc2o1 ZINC000824994512 607495668 /nfs/dbraw/zinc/49/56/68/607495668.db2.gz VAODMGRIOJHZMQ-CYBMUJFWSA-N 1 2 376.424 2.114 20 0 GEADLO COc1ccccc1C[NH+]1CCN(Cc2cc(-c3nn[nH]n3)ccc2OC)CC1 ZINC000826219453 607526738 /nfs/dbraw/zinc/52/67/38/607526738.db2.gz CKDFFHWEGHHHBF-UHFFFAOYSA-N 1 2 394.479 2.202 20 0 GEADLO O=C([O-])C1CC[NH+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000263117750 601823869 /nfs/dbraw/zinc/82/38/69/601823869.db2.gz CLCBSRIETCTGBU-SFHVURJKSA-N 1 2 393.915 2.390 20 0 GEADLO Cc1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)c(C)c[nH+]1 ZINC000826271500 607539039 /nfs/dbraw/zinc/53/90/39/607539039.db2.gz UTXOFVGAWYEXCM-UHFFFAOYSA-N 1 2 398.370 2.120 20 0 GEADLO C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000739708973 602222624 /nfs/dbraw/zinc/22/26/24/602222624.db2.gz BLXWUENUXSQLDI-WOJBJXKFSA-N 1 2 375.513 2.334 20 0 GEADLO C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000739708973 602222627 /nfs/dbraw/zinc/22/26/27/602222627.db2.gz BLXWUENUXSQLDI-WOJBJXKFSA-N 1 2 375.513 2.334 20 0 GEADLO Cc1cc(Br)cc(S(=O)(=O)NCC[NH+]2CCSCC2)c1 ZINC000444075928 649935030 /nfs/dbraw/zinc/93/50/30/649935030.db2.gz PMWJVFLCLHYKMD-UHFFFAOYSA-N 1 2 379.345 2.085 20 0 GEADLO CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000830327524 604755970 /nfs/dbraw/zinc/75/59/70/604755970.db2.gz FABMZKPJTZSAKG-RBUKOAKNSA-N 1 2 396.491 2.121 20 0 GEADLO CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000830327524 604755973 /nfs/dbraw/zinc/75/59/73/604755973.db2.gz FABMZKPJTZSAKG-RBUKOAKNSA-N 1 2 396.491 2.121 20 0 GEADLO C[C@@]1([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000833569172 604819391 /nfs/dbraw/zinc/81/93/91/604819391.db2.gz JCHAFJHXVWICIT-WIYYLYMNSA-N 1 2 389.496 2.080 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000444660669 649951640 /nfs/dbraw/zinc/95/16/40/649951640.db2.gz KFGGXSFAJYPTCL-GFCCVEGCSA-N 1 2 381.885 2.497 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@H](Cn2ccnn2)C1 ZINC000826304340 607731687 /nfs/dbraw/zinc/73/16/87/607731687.db2.gz HXMRPJOEPAPLOW-AWEZNQCLSA-N 1 2 375.440 2.231 20 0 GEADLO C[C@@]1([NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCC[C@@H]1C(=O)[O-] ZINC000833573540 605063726 /nfs/dbraw/zinc/06/37/26/605063726.db2.gz SPYCMDDUAWQPJO-VQIMIIECSA-N 1 2 379.526 2.015 20 0 GEADLO O=C([O-])CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000833774169 605226622 /nfs/dbraw/zinc/22/66/22/605226622.db2.gz ZEQFCESVRNFUGD-MRXNPFEDSA-N 1 2 379.888 2.364 20 0 GEADLO CCOC(=O)Nc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1-c1nn[nH]n1 ZINC000825531435 607760027 /nfs/dbraw/zinc/76/00/27/607760027.db2.gz KHQKEDNTLFUDIN-UHFFFAOYSA-N 1 2 384.400 2.051 20 0 GEADLO O=C([O-])NC1CCC([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000834163154 605590705 /nfs/dbraw/zinc/59/07/05/605590705.db2.gz IAKPHXBVZVDCIX-UHFFFAOYSA-N 1 2 377.485 2.066 20 0 GEADLO C[C@@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000833821162 605681406 /nfs/dbraw/zinc/68/14/06/605681406.db2.gz ZBSSOLMHLZNMFI-VQIMIIECSA-N 1 2 377.485 2.018 20 0 GEADLO C[C@@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000833821162 605681409 /nfs/dbraw/zinc/68/14/09/605681409.db2.gz ZBSSOLMHLZNMFI-VQIMIIECSA-N 1 2 377.485 2.018 20 0 GEADLO Cc1cccn2cc(CCNC(=O)Nc3cc(-c4nn[nH]n4)ccc3C)[nH+]c12 ZINC000822220100 606116123 /nfs/dbraw/zinc/11/61/23/606116123.db2.gz DCEAXHXEYOATNF-UHFFFAOYSA-N 1 2 376.424 2.495 20 0 GEADLO O=C([C@@H]1C[C@@H]1C1CC1)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822916769 606239845 /nfs/dbraw/zinc/23/98/45/606239845.db2.gz CTRDURIQWARWAV-HZPDHXFCSA-N 1 2 389.463 2.110 20 0 GEADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000821651864 606318923 /nfs/dbraw/zinc/31/89/23/606318923.db2.gz HPGQAYKHMZJVMQ-QZTJIDSGSA-N 1 2 378.436 2.267 20 0 GEADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000821651864 606318925 /nfs/dbraw/zinc/31/89/25/606318925.db2.gz HPGQAYKHMZJVMQ-QZTJIDSGSA-N 1 2 378.436 2.267 20 0 GEADLO CN1CCN(C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)c2ccccc2)CC1 ZINC000821627073 606416777 /nfs/dbraw/zinc/41/67/77/606416777.db2.gz MDKHWUHSUSMWSO-KRWDZBQOSA-N 1 2 383.525 2.007 20 0 GEADLO FC(F)(F)[C@H]1CCCn2c(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)nnc21 ZINC000822714852 606424247 /nfs/dbraw/zinc/42/42/47/606424247.db2.gz VDOXZOYUCILFSO-VIFPVBQESA-N 1 2 384.391 2.249 20 0 GEADLO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000820011450 606486578 /nfs/dbraw/zinc/48/65/78/606486578.db2.gz NGPFOFTUQBWROC-AWEZNQCLSA-N 1 2 394.426 2.205 20 0 GEADLO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000820011450 606486579 /nfs/dbraw/zinc/48/65/79/606486579.db2.gz NGPFOFTUQBWROC-AWEZNQCLSA-N 1 2 394.426 2.205 20 0 GEADLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CCO1 ZINC000821660111 606520877 /nfs/dbraw/zinc/52/08/77/606520877.db2.gz GFSJLORVAZROSF-KRWDZBQOSA-N 1 2 393.447 2.298 20 0 GEADLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CCO1 ZINC000821660111 606520878 /nfs/dbraw/zinc/52/08/78/606520878.db2.gz GFSJLORVAZROSF-KRWDZBQOSA-N 1 2 393.447 2.298 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000819875636 606622835 /nfs/dbraw/zinc/62/28/35/606622835.db2.gz APAUDDUJSCDDNU-OIJAAMDRSA-N 1 2 398.492 2.063 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000819875636 606622836 /nfs/dbraw/zinc/62/28/36/606622836.db2.gz APAUDDUJSCDDNU-OIJAAMDRSA-N 1 2 398.492 2.063 20 0 GEADLO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)CCOCC1CC1 ZINC000819877190 606719642 /nfs/dbraw/zinc/71/96/42/606719642.db2.gz QRKXLEJLMWSBCP-LLVKDONJSA-N 1 2 390.513 2.102 20 0 GEADLO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+](C)CCOCC1CC1 ZINC000819877190 606719643 /nfs/dbraw/zinc/71/96/43/606719643.db2.gz QRKXLEJLMWSBCP-LLVKDONJSA-N 1 2 390.513 2.102 20 0 GEADLO CC[C@@H](Nc1cccc(-c2nn[nH]n2)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000820924911 606725447 /nfs/dbraw/zinc/72/54/47/606725447.db2.gz BTNPUJGAQVKMGN-SJLPKXTDSA-N 1 2 379.468 2.353 20 0 GEADLO CC[C@@H](Nc1cccc(-c2nn[nH]n2)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000820924911 606725448 /nfs/dbraw/zinc/72/54/48/606725448.db2.gz BTNPUJGAQVKMGN-SJLPKXTDSA-N 1 2 379.468 2.353 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000821701926 606755195 /nfs/dbraw/zinc/75/51/95/606755195.db2.gz AXFRJHCGMXLHNF-INIZCTEOSA-N 1 2 387.465 2.389 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000821701926 606755196 /nfs/dbraw/zinc/75/51/96/606755196.db2.gz AXFRJHCGMXLHNF-INIZCTEOSA-N 1 2 387.465 2.389 20 0 GEADLO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000819975779 606781955 /nfs/dbraw/zinc/78/19/55/606781955.db2.gz CLHPIBODYFQMAG-UHFFFAOYSA-N 1 2 379.428 2.393 20 0 GEADLO CC(C)Oc1cccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000820178079 606784491 /nfs/dbraw/zinc/78/44/91/606784491.db2.gz GZGLQEVZJQDHOJ-OAHLLOKOSA-N 1 2 394.483 2.155 20 0 GEADLO CC(C)Oc1cccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000820178079 606784493 /nfs/dbraw/zinc/78/44/93/606784493.db2.gz GZGLQEVZJQDHOJ-OAHLLOKOSA-N 1 2 394.483 2.155 20 0 GEADLO Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000822324226 606885710 /nfs/dbraw/zinc/88/57/10/606885710.db2.gz XSHYBHRPHTZWFB-SFHVURJKSA-N 1 2 380.452 2.087 20 0 GEADLO Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000822324226 606885711 /nfs/dbraw/zinc/88/57/11/606885711.db2.gz XSHYBHRPHTZWFB-SFHVURJKSA-N 1 2 380.452 2.087 20 0 GEADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1)c1ccco1 ZINC000823674812 606916203 /nfs/dbraw/zinc/91/62/03/606916203.db2.gz RXPHLHIQTJSTIY-DOTOQJQBSA-N 1 2 394.435 2.037 20 0 GEADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1)c1ccco1 ZINC000823674812 606916204 /nfs/dbraw/zinc/91/62/04/606916204.db2.gz RXPHLHIQTJSTIY-DOTOQJQBSA-N 1 2 394.435 2.037 20 0 GEADLO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000822194086 606919591 /nfs/dbraw/zinc/91/95/91/606919591.db2.gz ICOCZJRFSOKJFZ-GOSISDBHSA-N 1 2 394.479 2.396 20 0 GEADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000822194086 606919593 /nfs/dbraw/zinc/91/95/93/606919593.db2.gz ICOCZJRFSOKJFZ-GOSISDBHSA-N 1 2 394.479 2.396 20 0 GEADLO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ncc(-c4nn[nH]n4)s3)cc2)C[C@@H](C)O1 ZINC000820759155 607108473 /nfs/dbraw/zinc/10/84/73/607108473.db2.gz HXLBYVAGIWRRFI-VXGBXAGGSA-N 1 2 399.480 2.185 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)c(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)n1 ZINC000822215090 607226571 /nfs/dbraw/zinc/22/65/71/607226571.db2.gz LGXHHCWSMMUJSO-UHFFFAOYSA-N 1 2 392.467 2.085 20 0 GEADLO C[N@H+](CCc1nccs1)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825949924 607802134 /nfs/dbraw/zinc/80/21/34/607802134.db2.gz FJXQNFVBXYXWAH-UHFFFAOYSA-N 1 2 377.861 2.090 20 0 GEADLO C[N@@H+](CCc1nccs1)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825949924 607802135 /nfs/dbraw/zinc/80/21/35/607802135.db2.gz FJXQNFVBXYXWAH-UHFFFAOYSA-N 1 2 377.861 2.090 20 0 GEADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000825626348 607802958 /nfs/dbraw/zinc/80/29/58/607802958.db2.gz KSFQPYQPKXHABH-CQSZACIVSA-N 1 2 394.439 2.061 20 0 GEADLO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000826268118 607810966 /nfs/dbraw/zinc/81/09/66/607810966.db2.gz KMNYBLBDYPBADR-AWEZNQCLSA-N 1 2 390.426 2.370 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484639 607830108 /nfs/dbraw/zinc/83/01/08/607830108.db2.gz KEROGKHGSLAVIY-GOSISDBHSA-N 1 2 399.476 2.183 20 0 GEADLO O=C(C1CCC(F)(F)CC1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826399527 607965128 /nfs/dbraw/zinc/96/51/28/607965128.db2.gz YBVRHMBKVOCUTB-UHFFFAOYSA-N 1 2 390.438 2.336 20 0 GEADLO O[C@@H](C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)cc1F ZINC000826503067 608069061 /nfs/dbraw/zinc/06/90/61/608069061.db2.gz PXGGYPUBCTUDTO-ZWKOTPCHSA-N 1 2 387.390 2.252 20 0 GEADLO O[C@@H](C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)cc1F ZINC000826503067 608069062 /nfs/dbraw/zinc/06/90/62/608069062.db2.gz PXGGYPUBCTUDTO-ZWKOTPCHSA-N 1 2 387.390 2.252 20 0 GEADLO COc1ccc(OC)c(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826211137 608069747 /nfs/dbraw/zinc/06/97/47/608069747.db2.gz QODKKCQRUWVUCL-IBGZPJMESA-N 1 2 381.436 2.457 20 0 GEADLO COc1ccc(OC)c(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826211137 608069748 /nfs/dbraw/zinc/06/97/48/608069748.db2.gz QODKKCQRUWVUCL-IBGZPJMESA-N 1 2 381.436 2.457 20 0 GEADLO COc1ccccc1OCC[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826221318 608071850 /nfs/dbraw/zinc/07/18/50/608071850.db2.gz ZKLIOTPZEFOAJE-LJQANCHMSA-N 1 2 381.436 2.328 20 0 GEADLO COc1ccccc1OCC[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826221318 608071851 /nfs/dbraw/zinc/07/18/51/608071851.db2.gz ZKLIOTPZEFOAJE-LJQANCHMSA-N 1 2 381.436 2.328 20 0 GEADLO Fc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000826371742 608087236 /nfs/dbraw/zinc/08/72/36/608087236.db2.gz SANADKKDCQZEMA-UHFFFAOYSA-N 1 2 392.442 2.200 20 0 GEADLO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C(=O)OC)c1ccc(-c2nn[nH]n2)cc1 ZINC000825398885 608157627 /nfs/dbraw/zinc/15/76/27/608157627.db2.gz AFQNPWXKMKUFAN-OALUTQOASA-N 1 2 395.463 2.445 20 0 GEADLO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C(=O)OC)c1ccc(-c2nn[nH]n2)cc1 ZINC000825398885 608157630 /nfs/dbraw/zinc/15/76/30/608157630.db2.gz AFQNPWXKMKUFAN-OALUTQOASA-N 1 2 395.463 2.445 20 0 GEADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000826322128 608259063 /nfs/dbraw/zinc/25/90/63/608259063.db2.gz ZUAANOUEXOYADU-KRWDZBQOSA-N 1 2 383.456 2.049 20 0 GEADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000826322128 608259065 /nfs/dbraw/zinc/25/90/65/608259065.db2.gz ZUAANOUEXOYADU-KRWDZBQOSA-N 1 2 383.456 2.049 20 0 GEADLO Cc1ccc([C@@H](CNc2nc(C)ccc2-c2nn[nH]n2)[NH+]2CCOCC2)cc1 ZINC000826284326 608277569 /nfs/dbraw/zinc/27/75/69/608277569.db2.gz QHEMWDCCXXHUAX-GOSISDBHSA-N 1 2 379.468 2.364 20 0 GEADLO CCCNC(=O)C[N@H+](CCC)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825326901 608309551 /nfs/dbraw/zinc/30/95/51/608309551.db2.gz IDAHSFPJMJGBBM-UHFFFAOYSA-N 1 2 396.499 2.099 20 0 GEADLO CCCNC(=O)C[N@@H+](CCC)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825326901 608309553 /nfs/dbraw/zinc/30/95/53/608309553.db2.gz IDAHSFPJMJGBBM-UHFFFAOYSA-N 1 2 396.499 2.099 20 0 GEADLO O=C1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CN1c1ccc(Cl)c(F)c1 ZINC000826479099 608310178 /nfs/dbraw/zinc/31/01/78/608310178.db2.gz QGWOSHAYSZDKIP-VIFPVBQESA-N 1 2 376.779 2.147 20 0 GEADLO c1coc(C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@@H]2CCCO2)c1 ZINC000826526466 608626135 /nfs/dbraw/zinc/62/61/35/608626135.db2.gz ZUGNXPATMRLFBT-KRWDZBQOSA-N 1 2 379.424 2.289 20 0 GEADLO CCc1nc(CN2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)cs1 ZINC000825745166 608633791 /nfs/dbraw/zinc/63/37/91/608633791.db2.gz JCRVHHUFPRRYKC-UHFFFAOYSA-N 1 2 375.527 2.265 20 0 GEADLO Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000826372246 608641135 /nfs/dbraw/zinc/64/11/35/608641135.db2.gz OBQPSCTYURRXCX-UHFFFAOYSA-N 1 2 382.399 2.057 20 0 GEADLO C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)[C@H](CO)c1cccc(Br)c1 ZINC000825962357 608741229 /nfs/dbraw/zinc/74/12/29/608741229.db2.gz XWOVXEYLFQXFIE-CYBMUJFWSA-N 1 2 378.230 2.388 20 0 GEADLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)[C@H](CO)c1cccc(Br)c1 ZINC000825962357 608741231 /nfs/dbraw/zinc/74/12/31/608741231.db2.gz XWOVXEYLFQXFIE-CYBMUJFWSA-N 1 2 378.230 2.388 20 0 GEADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824764487 608750241 /nfs/dbraw/zinc/75/02/41/608750241.db2.gz WPDPYPJJPMWENZ-DBDZUICISA-N 1 2 395.492 2.445 20 0 GEADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824764487 608750243 /nfs/dbraw/zinc/75/02/43/608750243.db2.gz WPDPYPJJPMWENZ-DBDZUICISA-N 1 2 395.492 2.445 20 0 GEADLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc2c1OCO2 ZINC000826179160 608850253 /nfs/dbraw/zinc/85/02/53/608850253.db2.gz BTQNRRQJVIMKFY-SFHVURJKSA-N 1 2 395.419 2.178 20 0 GEADLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc2c1OCO2 ZINC000826179160 608850256 /nfs/dbraw/zinc/85/02/56/608850256.db2.gz BTQNRRQJVIMKFY-SFHVURJKSA-N 1 2 395.419 2.178 20 0 GEADLO Cc1cccc2ncc(C[N@@H+]3CCO[C@@H](c4cccc(-c5nn[nH]n5)c4)C3)n21 ZINC000826305154 608854296 /nfs/dbraw/zinc/85/42/96/608854296.db2.gz MUMUOBOMFQRCRW-GOSISDBHSA-N 1 2 375.436 2.396 20 0 GEADLO Cc1cccc2ncc(C[N@H+]3CCO[C@@H](c4cccc(-c5nn[nH]n5)c4)C3)n21 ZINC000826305154 608854299 /nfs/dbraw/zinc/85/42/99/608854299.db2.gz MUMUOBOMFQRCRW-GOSISDBHSA-N 1 2 375.436 2.396 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826030005 609230011 /nfs/dbraw/zinc/23/00/11/609230011.db2.gz ZIIBEIHIHOFODM-ZFWWWQNUSA-N 1 2 389.822 2.163 20 0 GEADLO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(C(=O)OC)ccc1F ZINC000826158910 609295024 /nfs/dbraw/zinc/29/50/24/609295024.db2.gz IJXFTEWYQCRZPN-UHFFFAOYSA-N 1 2 399.426 2.441 20 0 GEADLO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(C(=O)OC)ccc1F ZINC000826158910 609295025 /nfs/dbraw/zinc/29/50/25/609295025.db2.gz IJXFTEWYQCRZPN-UHFFFAOYSA-N 1 2 399.426 2.441 20 0 GEADLO O=C(NCCn1cc[nH+]c1)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826440628 609306653 /nfs/dbraw/zinc/30/66/53/609306653.db2.gz ULXUSTSGOXDXRV-UHFFFAOYSA-N 1 2 375.392 2.286 20 0 GEADLO Cc1nc(N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c2c([nH+]1)CCCC2 ZINC000826328609 609440651 /nfs/dbraw/zinc/44/06/51/609440651.db2.gz XFEHWLKHVKLYHA-SFHVURJKSA-N 1 2 377.452 2.422 20 0 GEADLO c1ccc(C[N@@H+]2CCO[C@H](c3noc(-c4cccc(-c5nn[nH]n5)c4)n3)C2)cc1 ZINC000826521318 609476101 /nfs/dbraw/zinc/47/61/01/609476101.db2.gz IDEOAENMSYSPNL-KRWDZBQOSA-N 1 2 389.419 2.490 20 0 GEADLO c1ccc(C[N@H+]2CCO[C@H](c3noc(-c4cccc(-c5nn[nH]n5)c4)n3)C2)cc1 ZINC000826521318 609476103 /nfs/dbraw/zinc/47/61/03/609476103.db2.gz IDEOAENMSYSPNL-KRWDZBQOSA-N 1 2 389.419 2.490 20 0 GEADLO Fc1c(Br)cccc1CNc1ccn(CC[NH+]2CCOCC2)n1 ZINC000449182454 650033569 /nfs/dbraw/zinc/03/35/69/650033569.db2.gz CEQINTDARFRYFZ-UHFFFAOYSA-N 1 2 383.265 2.729 20 0 GEADLO COc1nccnc1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000449192420 650033883 /nfs/dbraw/zinc/03/38/83/650033883.db2.gz LXQFJHBSFJYBKP-UHFFFAOYSA-N 1 2 393.285 2.374 20 0 GEADLO COC(=O)Cn1cc(C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)nn1 ZINC000449496809 650042215 /nfs/dbraw/zinc/04/22/15/650042215.db2.gz HLKMTRIDQXCXLH-ZDUSSCGKSA-N 1 2 379.258 2.203 20 0 GEADLO COC(=O)Cn1cc(C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)nn1 ZINC000449496809 650042217 /nfs/dbraw/zinc/04/22/17/650042217.db2.gz HLKMTRIDQXCXLH-ZDUSSCGKSA-N 1 2 379.258 2.203 20 0 GEADLO COC[C@H](Cc1ccccc1)[NH2+]Cc1nn(C)cc1I ZINC000449607749 650044604 /nfs/dbraw/zinc/04/46/04/650044604.db2.gz ZBVOAJYJQIQPDM-ZDUSSCGKSA-N 1 2 385.249 2.372 20 0 GEADLO CC[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@@H+]1CCOC ZINC000449885907 650054915 /nfs/dbraw/zinc/05/49/15/650054915.db2.gz VDKVWLCKKJRIQG-LLVKDONJSA-N 1 2 389.265 2.477 20 0 GEADLO CC[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@H+]1CCOC ZINC000449885907 650054916 /nfs/dbraw/zinc/05/49/16/650054916.db2.gz VDKVWLCKKJRIQG-LLVKDONJSA-N 1 2 389.265 2.477 20 0 GEADLO Cc1ccc(Br)cc1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000450218164 650062261 /nfs/dbraw/zinc/06/22/61/650062261.db2.gz WKRWDHQMGIBBTI-UHFFFAOYSA-N 1 2 380.330 2.498 20 0 GEADLO CC(C)NC(=O)C[NH+]1CCN(c2ncnc3cc(Br)ccc32)CC1 ZINC000450224829 650062442 /nfs/dbraw/zinc/06/24/42/650062442.db2.gz WPIATMISLYMFAV-UHFFFAOYSA-N 1 2 392.301 2.039 20 0 GEADLO Cc1ccn(CC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000450591236 650067762 /nfs/dbraw/zinc/06/77/62/650067762.db2.gz FXWXGDFXHWIHBH-UHFFFAOYSA-N 1 2 376.258 2.269 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1Cl ZINC000450874235 650073317 /nfs/dbraw/zinc/07/33/17/650073317.db2.gz FVHVMHGRPISRFZ-AWEZNQCLSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1Cl ZINC000450874235 650073319 /nfs/dbraw/zinc/07/33/19/650073319.db2.gz FVHVMHGRPISRFZ-AWEZNQCLSA-N 1 2 386.901 2.127 20 0 GEADLO Cc1ccc(C[C@@H](CO)CNc2nc(N(C)C)nc(C)[nH+]2)cc1Br ZINC000450847791 650072605 /nfs/dbraw/zinc/07/26/05/650072605.db2.gz QVHXWKAMRYRBKB-CQSZACIVSA-N 1 2 394.317 2.580 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450851880 650072884 /nfs/dbraw/zinc/07/28/84/650072884.db2.gz YKTUTARVXSWHPZ-HNNXBMFYSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450851880 650072886 /nfs/dbraw/zinc/07/28/86/650072886.db2.gz YKTUTARVXSWHPZ-HNNXBMFYSA-N 1 2 390.933 2.221 20 0 GEADLO Cc1nc(NCc2nn(C)cc2I)c2c([nH+]1)CCCC2 ZINC000450849977 650072950 /nfs/dbraw/zinc/07/29/50/650072950.db2.gz XWPBFLYAEMRPQU-UHFFFAOYSA-N 1 2 383.237 2.614 20 0 GEADLO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000451060186 650082803 /nfs/dbraw/zinc/08/28/03/650082803.db2.gz OWUSDIRWLYTSGB-CQSZACIVSA-N 1 2 386.901 2.294 20 0 GEADLO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000451060186 650082805 /nfs/dbraw/zinc/08/28/05/650082805.db2.gz OWUSDIRWLYTSGB-CQSZACIVSA-N 1 2 386.901 2.294 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2cccc3c(Cl)ccnc32)C[C@@H]1C ZINC000451208370 650096638 /nfs/dbraw/zinc/09/66/38/650096638.db2.gz NUSYMBMTBMPHRF-ZDUSSCGKSA-N 1 2 383.901 2.229 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2cccc3c(Cl)ccnc32)C[C@@H]1C ZINC000451208370 650096642 /nfs/dbraw/zinc/09/66/42/650096642.db2.gz NUSYMBMTBMPHRF-ZDUSSCGKSA-N 1 2 383.901 2.229 20 0 GEADLO O=S(=O)(Cc1ccc(Br)c(F)c1)NCC[NH+]1CCSCC1 ZINC000451195923 650095394 /nfs/dbraw/zinc/09/53/94/650095394.db2.gz MMJXVDLDNIVFBZ-UHFFFAOYSA-N 1 2 397.335 2.056 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000451341590 650105225 /nfs/dbraw/zinc/10/52/25/650105225.db2.gz DQEWUYDTFKPRRS-HNNXBMFYSA-N 1 2 382.517 2.432 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000451541171 650124283 /nfs/dbraw/zinc/12/42/83/650124283.db2.gz YHIMKBKBTMKKEV-NSHDSACASA-N 1 2 379.295 2.444 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000451541171 650124286 /nfs/dbraw/zinc/12/42/86/650124286.db2.gz YHIMKBKBTMKKEV-NSHDSACASA-N 1 2 379.295 2.444 20 0 GEADLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000451883648 650149906 /nfs/dbraw/zinc/14/99/06/650149906.db2.gz VHPMGIITJLVFTK-RYUDHWBXSA-N 1 2 375.357 2.356 20 0 GEADLO C[C@H]1CN(CC(F)(F)F)CC[N@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000451883648 650149909 /nfs/dbraw/zinc/14/99/09/650149909.db2.gz VHPMGIITJLVFTK-RYUDHWBXSA-N 1 2 375.357 2.356 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2CCC[C@@]3(CCSC3)C2)n1 ZINC000451988311 650161823 /nfs/dbraw/zinc/16/18/23/650161823.db2.gz ZROADKDHHUDADB-QGZVFWFLSA-N 1 2 383.539 2.406 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@H+]2CCC[C@@]3(CCSC3)C2)n1 ZINC000451988311 650161827 /nfs/dbraw/zinc/16/18/27/650161827.db2.gz ZROADKDHHUDADB-QGZVFWFLSA-N 1 2 383.539 2.406 20 0 GEADLO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000452047924 650168913 /nfs/dbraw/zinc/16/89/13/650168913.db2.gz OKZLWKPELYTPII-UHFFFAOYSA-N 1 2 382.507 2.197 20 0 GEADLO C[C@@H](CNC(=O)NC/C=C\c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000454244567 650260410 /nfs/dbraw/zinc/26/04/10/650260410.db2.gz JYZFQBRICVBRAK-SFAKSCPVSA-N 1 2 382.302 2.482 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000455530326 650307525 /nfs/dbraw/zinc/30/75/25/650307525.db2.gz YEJDUZZQSLRNOO-RRQGHBQHSA-N 1 2 380.330 2.305 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)CCO1 ZINC000455704923 650313698 /nfs/dbraw/zinc/31/36/98/650313698.db2.gz OCYWCXJJWIQLHB-RYUDHWBXSA-N 1 2 380.436 2.465 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)CCO1 ZINC000455704923 650313703 /nfs/dbraw/zinc/31/37/03/650313703.db2.gz OCYWCXJJWIQLHB-RYUDHWBXSA-N 1 2 380.436 2.465 20 0 GEADLO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000456713650 650357393 /nfs/dbraw/zinc/35/73/93/650357393.db2.gz HJAKVAJFHYUZBU-LBPRGKRZSA-N 1 2 396.285 2.081 20 0 GEADLO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000456713650 650357396 /nfs/dbraw/zinc/35/73/96/650357396.db2.gz HJAKVAJFHYUZBU-LBPRGKRZSA-N 1 2 396.285 2.081 20 0 GEADLO Cc1sc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc1CS(C)(=O)=O ZINC000457012598 650370774 /nfs/dbraw/zinc/37/07/74/650370774.db2.gz GLRAVTDYXZANOD-MRXNPFEDSA-N 1 2 378.519 2.388 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)c1 ZINC000457848694 650386403 /nfs/dbraw/zinc/38/64/03/650386403.db2.gz DQCQCUQJBLUSPE-HSZRJFAPSA-N 1 2 398.326 2.429 20 0 GEADLO O=C(CC[N@@H+]1CCN(C2CC2)C(=O)C1)Nc1ccc(Br)cc1F ZINC000501895982 650398777 /nfs/dbraw/zinc/39/87/77/650398777.db2.gz BVPMJOJTKADGIC-UHFFFAOYSA-N 1 2 384.249 2.223 20 0 GEADLO O=C(CC[N@H+]1CCN(C2CC2)C(=O)C1)Nc1ccc(Br)cc1F ZINC000501895982 650398780 /nfs/dbraw/zinc/39/87/80/650398780.db2.gz BVPMJOJTKADGIC-UHFFFAOYSA-N 1 2 384.249 2.223 20 0 GEADLO C[C@@H](NC(=O)NCCc1cccc(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000458356036 650400658 /nfs/dbraw/zinc/40/06/58/650400658.db2.gz YQRQUIVQSKRWOB-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000502275354 650404584 /nfs/dbraw/zinc/40/45/84/650404584.db2.gz WFJQNRCKEVHLDC-WDEREUQCSA-N 1 2 381.263 2.498 20 0 GEADLO CSc1ccc([C@H](CNC(=O)N(C)[C@H](C)CS(C)(=O)=O)[NH+](C)C)cc1 ZINC000458894356 650413424 /nfs/dbraw/zinc/41/34/24/650413424.db2.gz MZTVUZDSAVDBMC-CJNGLKHVSA-N 1 2 387.571 2.086 20 0 GEADLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000503699467 650421736 /nfs/dbraw/zinc/42/17/36/650421736.db2.gz DSXVEKCSXHZMDQ-LBPRGKRZSA-N 1 2 381.325 2.379 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459703787 650430141 /nfs/dbraw/zinc/43/01/41/650430141.db2.gz HGJOXWCIKOIUBC-QGZVFWFLSA-N 1 2 388.302 2.184 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000459703787 650430143 /nfs/dbraw/zinc/43/01/43/650430143.db2.gz HGJOXWCIKOIUBC-QGZVFWFLSA-N 1 2 388.302 2.184 20 0 GEADLO COc1ccccc1[C@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)CC[NH2+]1 ZINC000505498459 650438029 /nfs/dbraw/zinc/43/80/29/650438029.db2.gz KVXMLEHSTKYOBC-CYBMUJFWSA-N 1 2 392.253 2.345 20 0 GEADLO COCCC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000506032589 650442943 /nfs/dbraw/zinc/44/29/43/650442943.db2.gz YQPYMSFXHAPKBY-CQSZACIVSA-N 1 2 391.917 2.383 20 0 GEADLO COCCC[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000506032589 650442944 /nfs/dbraw/zinc/44/29/44/650442944.db2.gz YQPYMSFXHAPKBY-CQSZACIVSA-N 1 2 391.917 2.383 20 0 GEADLO COc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)c1 ZINC000507167609 650454939 /nfs/dbraw/zinc/45/49/39/650454939.db2.gz MWLSCRVXWHJRHM-ZDUSSCGKSA-N 1 2 391.331 2.361 20 0 GEADLO COc1ccc(Br)c(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)c1 ZINC000507167609 650454941 /nfs/dbraw/zinc/45/49/41/650454941.db2.gz MWLSCRVXWHJRHM-ZDUSSCGKSA-N 1 2 391.331 2.361 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c(Cl)c1 ZINC000507517063 650462080 /nfs/dbraw/zinc/46/20/80/650462080.db2.gz LFLSBOZILUPRKK-ZDUSSCGKSA-N 1 2 386.857 2.301 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)[C@@H](C)C[N@@H+]1C ZINC000507932479 650469873 /nfs/dbraw/zinc/46/98/73/650469873.db2.gz DKTBCTGIFJMOBS-NEPJUHHUSA-N 1 2 390.347 2.228 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)[C@@H](C)C[N@H+]1C ZINC000507932479 650469875 /nfs/dbraw/zinc/46/98/75/650469875.db2.gz DKTBCTGIFJMOBS-NEPJUHHUSA-N 1 2 390.347 2.228 20 0 GEADLO COc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1Br ZINC000507935074 650469980 /nfs/dbraw/zinc/46/99/80/650469980.db2.gz JABTUDQMHTUKBX-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1Br ZINC000507935074 650469982 /nfs/dbraw/zinc/46/99/82/650469982.db2.gz JABTUDQMHTUKBX-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1Br ZINC000507950773 650470368 /nfs/dbraw/zinc/47/03/68/650470368.db2.gz QZWQWSFXBLPJAB-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1Br ZINC000507950773 650470369 /nfs/dbraw/zinc/47/03/69/650470369.db2.gz QZWQWSFXBLPJAB-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000507987355 650472250 /nfs/dbraw/zinc/47/22/50/650472250.db2.gz XVXKVSCOGMXWQM-VXGBXAGGSA-N 1 2 382.507 2.401 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000507987355 650472255 /nfs/dbraw/zinc/47/22/55/650472255.db2.gz XVXKVSCOGMXWQM-VXGBXAGGSA-N 1 2 382.507 2.401 20 0 GEADLO O=C(CCNC(=O)c1sccc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000509549590 650495700 /nfs/dbraw/zinc/49/57/00/650495700.db2.gz OZAAXZATWQWQNU-UHFFFAOYSA-N 1 2 378.885 2.265 20 0 GEADLO O=S(=O)(NCC[NH2+]Cc1c(F)ccc(O)c1F)c1cccc(Cl)c1 ZINC000510254838 650509334 /nfs/dbraw/zinc/50/93/34/650509334.db2.gz KQGQFNZFCPMGBI-UHFFFAOYSA-N 1 2 376.812 2.392 20 0 GEADLO C[C@H](CNC(=O)c1c[nH]c2ccc(Br)cc12)[NH+]1CCN(C)CC1 ZINC000511049174 650524059 /nfs/dbraw/zinc/52/40/59/650524059.db2.gz SLFXYGPYZHQKKO-GFCCVEGCSA-N 1 2 379.302 2.296 20 0 GEADLO CC(C)(CNC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl)[NH+]1CCOCC1 ZINC000473973715 650525907 /nfs/dbraw/zinc/52/59/07/650525907.db2.gz GYEYMPOZFJKBTE-AWEZNQCLSA-N 1 2 390.311 2.437 20 0 GEADLO O=C(c1ccccc1Br)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000473988902 650526435 /nfs/dbraw/zinc/52/64/35/650526435.db2.gz JHIJRAFOLJDQBO-CQSZACIVSA-N 1 2 383.286 2.012 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)CCO1 ZINC000474253979 650529005 /nfs/dbraw/zinc/52/90/05/650529005.db2.gz FGFSPENPQMNYJZ-AWEZNQCLSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)CCO1 ZINC000474253979 650529008 /nfs/dbraw/zinc/52/90/08/650529008.db2.gz FGFSPENPQMNYJZ-AWEZNQCLSA-N 1 2 390.311 2.437 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc(I)c2)[C@H](C)C1 ZINC000511281788 650532066 /nfs/dbraw/zinc/53/20/66/650532066.db2.gz WDJKCHQWWJZQAU-LLVKDONJSA-N 1 2 394.278 2.006 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cccc(I)c2)[C@H](C)C1 ZINC000511281788 650532070 /nfs/dbraw/zinc/53/20/70/650532070.db2.gz WDJKCHQWWJZQAU-LLVKDONJSA-N 1 2 394.278 2.006 20 0 GEADLO Cc1nn(C)c2ncc(C[NH2+][C@@H](C(N)=O)c3cccc(Br)c3)cc12 ZINC000475430733 650533297 /nfs/dbraw/zinc/53/32/97/650533297.db2.gz LFIQWKJCYNAFOL-OAHLLOKOSA-N 1 2 388.269 2.355 20 0 GEADLO CCn1nccc1C[N@H+](CCO)Cc1cc2c(c(Br)c1)OCO2 ZINC000475501059 650534192 /nfs/dbraw/zinc/53/41/92/650534192.db2.gz IFCZLLBQTDOYDI-UHFFFAOYSA-N 1 2 382.258 2.389 20 0 GEADLO CCn1nccc1C[N@@H+](CCO)Cc1cc2c(c(Br)c1)OCO2 ZINC000475501059 650534193 /nfs/dbraw/zinc/53/41/93/650534193.db2.gz IFCZLLBQTDOYDI-UHFFFAOYSA-N 1 2 382.258 2.389 20 0 GEADLO OCCOc1ccc(C[NH2+]Cc2ncc(I)s2)cc1 ZINC000512005393 650543827 /nfs/dbraw/zinc/54/38/27/650543827.db2.gz DMXVPYXOMALPAW-UHFFFAOYSA-N 1 2 390.246 2.409 20 0 GEADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc(Br)ccn2)CC1 ZINC000476089995 650543902 /nfs/dbraw/zinc/54/39/02/650543902.db2.gz IYOHHKFOBUROBH-CQSZACIVSA-N 1 2 381.318 2.367 20 0 GEADLO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476556986 650554047 /nfs/dbraw/zinc/55/40/47/650554047.db2.gz XKBILFIUDUPQIA-LBPRGKRZSA-N 1 2 382.511 2.014 20 0 GEADLO CCC(CC)(NC(=O)C1C[NH+](Cc2ccccc2Br)C1)C(N)=O ZINC000513242866 650560276 /nfs/dbraw/zinc/56/02/76/650560276.db2.gz ZFBKGHUMXOKHCJ-UHFFFAOYSA-N 1 2 382.302 2.041 20 0 GEADLO CS[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)C(C)(C)C ZINC000478874071 650592454 /nfs/dbraw/zinc/59/24/54/650592454.db2.gz XFFBSKXUYSMRCG-OAHLLOKOSA-N 1 2 383.583 2.116 20 0 GEADLO CS[C@H](CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)C(C)(C)C ZINC000478874071 650592457 /nfs/dbraw/zinc/59/24/57/650592457.db2.gz XFFBSKXUYSMRCG-OAHLLOKOSA-N 1 2 383.583 2.116 20 0 GEADLO Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1Br ZINC000479030919 650594531 /nfs/dbraw/zinc/59/45/31/650594531.db2.gz ZEYKKRYIXSZXSA-MRXNPFEDSA-N 1 2 397.313 2.321 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000516221234 650595851 /nfs/dbraw/zinc/59/58/51/650595851.db2.gz VILYONCMKJDEAG-UHFFFAOYSA-N 1 2 378.205 2.437 20 0 GEADLO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1=O ZINC000516516663 650598048 /nfs/dbraw/zinc/59/80/48/650598048.db2.gz XYBHMNMJULEZNP-HSMVNMDESA-N 1 2 390.285 2.129 20 0 GEADLO NC(=O)[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1cccc(Br)c1 ZINC000518265585 650603825 /nfs/dbraw/zinc/60/38/25/650603825.db2.gz XHMYXJVNIXHHKW-AWEZNQCLSA-N 1 2 388.225 2.445 20 0 GEADLO C[C@H](NC(=O)COc1ccc(F)cc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000520527053 650615052 /nfs/dbraw/zinc/61/50/52/650615052.db2.gz SJMHCQLXJKLHJM-RYUDHWBXSA-N 1 2 389.265 2.192 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000520611931 650615455 /nfs/dbraw/zinc/61/54/55/650615455.db2.gz WAXRQQKKDAYTJN-UWVGGRQHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000520611931 650615459 /nfs/dbraw/zinc/61/54/59/650615459.db2.gz WAXRQQKKDAYTJN-UWVGGRQHSA-N 1 2 395.294 2.310 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c2cc(Br)ccc21 ZINC000480192729 650617505 /nfs/dbraw/zinc/61/75/05/650617505.db2.gz FTLXMJRAPBPQPK-MWLCHTKSSA-N 1 2 388.205 2.180 20 0 GEADLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cc(C(N)=O)cs2)CC1 ZINC000521742638 650619573 /nfs/dbraw/zinc/61/95/73/650619573.db2.gz GOPGGAKWUZJKKB-UHFFFAOYSA-N 1 2 378.523 2.317 20 0 GEADLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cc(C(N)=O)cs2)CC1 ZINC000521742638 650619576 /nfs/dbraw/zinc/61/95/76/650619576.db2.gz GOPGGAKWUZJKKB-UHFFFAOYSA-N 1 2 378.523 2.317 20 0 GEADLO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[N@H+](C)C[C@@H]3C)ccc2s1 ZINC000480674221 650627833 /nfs/dbraw/zinc/62/78/33/650627833.db2.gz UMKFAUQFWXYDHA-LBPRGKRZSA-N 1 2 382.507 2.403 20 0 GEADLO CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[N@@H+](C)C[C@@H]3C)ccc2s1 ZINC000480674221 650627834 /nfs/dbraw/zinc/62/78/34/650627834.db2.gz UMKFAUQFWXYDHA-LBPRGKRZSA-N 1 2 382.507 2.403 20 0 GEADLO COc1ccc(S(=O)(=O)NCCNc2cccc[nH+]2)c(Br)c1 ZINC000480810244 650633302 /nfs/dbraw/zinc/63/33/02/650633302.db2.gz HNCWPXAVBRQVEE-UHFFFAOYSA-N 1 2 386.271 2.243 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c(Br)c1 ZINC000480873247 650635842 /nfs/dbraw/zinc/63/58/42/650635842.db2.gz CACAJIYZLSRVMK-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(Br)c1 ZINC000480873247 650635844 /nfs/dbraw/zinc/63/58/44/650635844.db2.gz CACAJIYZLSRVMK-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(Br)c1 ZINC000480873249 650635869 /nfs/dbraw/zinc/63/58/69/650635869.db2.gz CACAJIYZLSRVMK-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(Br)c1 ZINC000480873249 650635871 /nfs/dbraw/zinc/63/58/71/650635871.db2.gz CACAJIYZLSRVMK-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO CCS[C@H]1CCCC[N@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000480894756 650637067 /nfs/dbraw/zinc/63/70/67/650637067.db2.gz RJCGUTXYLUAYMU-INIZCTEOSA-N 1 2 384.567 2.314 20 0 GEADLO CCS[C@H]1CCCC[N@@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000480894756 650637068 /nfs/dbraw/zinc/63/70/68/650637068.db2.gz RJCGUTXYLUAYMU-INIZCTEOSA-N 1 2 384.567 2.314 20 0 GEADLO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CC(n2cc[nH+]c2)C1 ZINC000524374351 650640706 /nfs/dbraw/zinc/64/07/06/650640706.db2.gz QMWWMCNROYUODF-LBPRGKRZSA-N 1 2 389.253 2.082 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000524595869 650643474 /nfs/dbraw/zinc/64/34/74/650643474.db2.gz XQGRXXBZJVUJNK-CQSZACIVSA-N 1 2 380.432 2.480 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000524595869 650643478 /nfs/dbraw/zinc/64/34/78/650643478.db2.gz XQGRXXBZJVUJNK-CQSZACIVSA-N 1 2 380.432 2.480 20 0 GEADLO CC(=O)N[C@H](CC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000481418216 650646114 /nfs/dbraw/zinc/64/61/14/650646114.db2.gz UGVIRMIMPKVZBR-MLGOLLRUSA-N 1 2 393.285 2.418 20 0 GEADLO CC(=O)N[C@@H](CC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000481418215 650646191 /nfs/dbraw/zinc/64/61/91/650646191.db2.gz UGVIRMIMPKVZBR-LRDDRELGSA-N 1 2 393.285 2.418 20 0 GEADLO C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(Cc2sccc2Br)C1 ZINC000481788339 650653595 /nfs/dbraw/zinc/65/35/95/650653595.db2.gz ATWWQUUKECLONW-NSHDSACASA-N 1 2 398.330 2.295 20 0 GEADLO C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(Cc2sccc2Br)C1 ZINC000481788339 650653598 /nfs/dbraw/zinc/65/35/98/650653598.db2.gz ATWWQUUKECLONW-NSHDSACASA-N 1 2 398.330 2.295 20 0 GEADLO CN(Cc1cc(=O)[nH]c(N)n1)[C@H]1CC[N@H+](Cc2sccc2Br)C1 ZINC000481788339 650653602 /nfs/dbraw/zinc/65/36/02/650653602.db2.gz ATWWQUUKECLONW-NSHDSACASA-N 1 2 398.330 2.295 20 0 GEADLO CN(Cc1cc(=O)[nH]c(N)n1)[C@H]1CC[N@@H+](Cc2sccc2Br)C1 ZINC000481788339 650653604 /nfs/dbraw/zinc/65/36/04/650653604.db2.gz ATWWQUUKECLONW-NSHDSACASA-N 1 2 398.330 2.295 20 0 GEADLO O=C(c1ccc(Br)s1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000483369313 650677417 /nfs/dbraw/zinc/67/74/17/650677417.db2.gz XTJZAXXFSOXMHO-LBPRGKRZSA-N 1 2 389.315 2.074 20 0 GEADLO O=C(Cc1cc(Cl)ccc1Cl)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000483600678 650680237 /nfs/dbraw/zinc/68/02/37/650680237.db2.gz KIWGMLUBFRXQFG-MRXNPFEDSA-N 1 2 387.307 2.486 20 0 GEADLO O=C(CCn1cc[nH+]c1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000483862214 650682588 /nfs/dbraw/zinc/68/25/88/650682588.db2.gz KSKCLFNLKRYADB-UHFFFAOYSA-N 1 2 377.286 2.380 20 0 GEADLO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000484258237 650686604 /nfs/dbraw/zinc/68/66/04/650686604.db2.gz IOKSCSOPVWXOPH-VIFPVBQESA-N 1 2 383.235 2.268 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000528284478 650687557 /nfs/dbraw/zinc/68/75/57/650687557.db2.gz ADRQIFQLPWTMSW-UHFFFAOYSA-N 1 2 379.360 2.159 20 0 GEADLO Cc1cccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1Br ZINC000529753030 650706349 /nfs/dbraw/zinc/70/63/49/650706349.db2.gz QSDOTNQZWYQHSQ-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1cccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1Br ZINC000529753030 650706353 /nfs/dbraw/zinc/70/63/53/650706353.db2.gz QSDOTNQZWYQHSQ-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO COc1cccc2c1CN(C[N@H+](C)CCn1cc(Br)cn1)C2=O ZINC000530093196 650713724 /nfs/dbraw/zinc/71/37/24/650713724.db2.gz AYMKVEYRXYXFAG-UHFFFAOYSA-N 1 2 379.258 2.200 20 0 GEADLO COc1cccc2c1CN(C[N@@H+](C)CCn1cc(Br)cn1)C2=O ZINC000530093196 650713726 /nfs/dbraw/zinc/71/37/26/650713726.db2.gz AYMKVEYRXYXFAG-UHFFFAOYSA-N 1 2 379.258 2.200 20 0 GEADLO C[C@@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1ccc(Br)cn1 ZINC000530535643 650725777 /nfs/dbraw/zinc/72/57/77/650725777.db2.gz DXDNYOBFICROON-LLVKDONJSA-N 1 2 388.269 2.208 20 0 GEADLO CCS(=O)(=O)C[C@H](C)NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840556 650729381 /nfs/dbraw/zinc/72/93/81/650729381.db2.gz JRFKNBJFPYGFQR-SWLSCSKDSA-N 1 2 375.922 2.065 20 0 GEADLO CC[N@H+](CC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)C1CC1 ZINC000487581434 650735942 /nfs/dbraw/zinc/73/59/42/650735942.db2.gz CZRDDXIAQMTBEC-UHFFFAOYSA-N 1 2 378.416 2.209 20 0 GEADLO CC[N@@H+](CC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)C1CC1 ZINC000487581434 650735951 /nfs/dbraw/zinc/73/59/51/650735951.db2.gz CZRDDXIAQMTBEC-UHFFFAOYSA-N 1 2 378.416 2.209 20 0 GEADLO COc1c(Br)cc(Cl)cc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000532181604 650745817 /nfs/dbraw/zinc/74/58/17/650745817.db2.gz UXUZQGAJQGAOTR-UHFFFAOYSA-N 1 2 392.681 2.253 20 0 GEADLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000015547122 642382054 /nfs/dbraw/zinc/38/20/54/642382054.db2.gz PBTFRPVSUMMWGZ-HNNXBMFYSA-N 1 2 379.507 2.343 20 0 GEADLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000015547122 642382060 /nfs/dbraw/zinc/38/20/60/642382060.db2.gz PBTFRPVSUMMWGZ-HNNXBMFYSA-N 1 2 379.507 2.343 20 0 GEADLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000533799049 650765646 /nfs/dbraw/zinc/76/56/46/650765646.db2.gz WKHKOGGRMVEGLF-AMIZOPFISA-N 1 2 395.269 2.488 20 0 GEADLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000533799049 650765647 /nfs/dbraw/zinc/76/56/47/650765647.db2.gz WKHKOGGRMVEGLF-AMIZOPFISA-N 1 2 395.269 2.488 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)cc2cccnc21 ZINC000533942005 650767599 /nfs/dbraw/zinc/76/75/99/650767599.db2.gz QHCQDLNHNRACMS-ZDUSSCGKSA-N 1 2 391.313 2.363 20 0 GEADLO COc1ccc(Br)cc1C(=O)CCC(=O)NCCn1cc[nH+]c1 ZINC000042720912 642555797 /nfs/dbraw/zinc/55/57/97/642555797.db2.gz KDEJFBZXGJGHKM-UHFFFAOYSA-N 1 2 380.242 2.434 20 0 GEADLO CC(C)Cc1nnc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000043373201 642558898 /nfs/dbraw/zinc/55/88/98/642558898.db2.gz IBMSNGQXXNHLLU-MRXNPFEDSA-N 1 2 385.559 2.066 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000043546457 642561785 /nfs/dbraw/zinc/56/17/85/642561785.db2.gz SZAWBFBUHSZGKZ-TZMCWYRMSA-N 1 2 386.543 2.026 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000043546457 642561792 /nfs/dbraw/zinc/56/17/92/642561792.db2.gz SZAWBFBUHSZGKZ-TZMCWYRMSA-N 1 2 386.543 2.026 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000045159020 642590248 /nfs/dbraw/zinc/59/02/48/642590248.db2.gz JWMMHHNBWOYBQY-CYBMUJFWSA-N 1 2 391.269 2.205 20 0 GEADLO Cc1nc(C)c(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000050692252 642686815 /nfs/dbraw/zinc/68/68/15/642686815.db2.gz IZIMMYUWCFSDDE-UHFFFAOYSA-N 1 2 379.507 2.323 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2c(F)cccc2Br)C1 ZINC000534502371 650776150 /nfs/dbraw/zinc/77/61/50/650776150.db2.gz KLQFFKFSXSNHKY-JTQLQIEISA-N 1 2 395.232 2.276 20 0 GEADLO O=S(=O)(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(Br)cc1F ZINC000534511357 650776248 /nfs/dbraw/zinc/77/62/48/650776248.db2.gz VKEPURSXQLPVIJ-MRVPVSSYSA-N 1 2 381.242 2.242 20 0 GEADLO O=S(=O)(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)c(Br)cc1F ZINC000534511357 650776249 /nfs/dbraw/zinc/77/62/49/650776249.db2.gz VKEPURSXQLPVIJ-MRVPVSSYSA-N 1 2 381.242 2.242 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052694030 642725458 /nfs/dbraw/zinc/72/54/58/642725458.db2.gz FSJIQOOQCXNGQN-UONOGXRCSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052694030 642725462 /nfs/dbraw/zinc/72/54/62/642725462.db2.gz FSJIQOOQCXNGQN-UONOGXRCSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1[nH]c(=S)sc1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000053638903 642734202 /nfs/dbraw/zinc/73/42/02/642734202.db2.gz HWJWLSCMAAXQDR-UHFFFAOYSA-N 1 2 377.535 2.431 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc(Br)cc3cccnc32)CCO1 ZINC000534697486 650779961 /nfs/dbraw/zinc/77/99/61/650779961.db2.gz VAMLYJDCQIIVKB-LBPRGKRZSA-N 1 2 378.270 2.448 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc3cccnc32)CCO1 ZINC000534697486 650779962 /nfs/dbraw/zinc/77/99/62/650779962.db2.gz VAMLYJDCQIIVKB-LBPRGKRZSA-N 1 2 378.270 2.448 20 0 GEADLO CN1CC[C@@H](NC(=O)NCC[NH+]2CCSCC2)[C@H]1c1ccc(Cl)cc1 ZINC000535505346 650787962 /nfs/dbraw/zinc/78/79/62/650787962.db2.gz ZTQYLKIHMMKXQP-IAGOWNOFSA-N 1 2 382.961 2.433 20 0 GEADLO CN1CC[C@@H](NC(=O)NCC[NH+]2CCSCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000535505348 650788009 /nfs/dbraw/zinc/78/80/09/650788009.db2.gz ZTQYLKIHMMKXQP-SJORKVTESA-N 1 2 382.961 2.433 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000056508194 642794955 /nfs/dbraw/zinc/79/49/55/642794955.db2.gz CXZSTPFMHXJPOW-UHFFFAOYSA-N 1 2 388.249 2.086 20 0 GEADLO CCC[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)CC(=O)N(C)C ZINC000056510972 642795047 /nfs/dbraw/zinc/79/50/47/642795047.db2.gz QMXPFVHBWUYOCY-ZDUSSCGKSA-N 1 2 384.318 2.427 20 0 GEADLO CCC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)CC(=O)N(C)C ZINC000056510972 642795050 /nfs/dbraw/zinc/79/50/50/642795050.db2.gz QMXPFVHBWUYOCY-ZDUSSCGKSA-N 1 2 384.318 2.427 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000057170160 642807733 /nfs/dbraw/zinc/80/77/33/642807733.db2.gz LBYIPQYPSFTWIB-NSHDSACASA-N 1 2 376.873 2.289 20 0 GEADLO COc1ccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)cc1Br ZINC000491308539 650785247 /nfs/dbraw/zinc/78/52/47/650785247.db2.gz UCBCGATURSVTHP-UHFFFAOYSA-N 1 2 393.241 2.020 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000535808633 650790993 /nfs/dbraw/zinc/79/09/93/650790993.db2.gz PHCXRLWSOJSFOD-CVEARBPZSA-N 1 2 388.917 2.021 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000535808633 650790994 /nfs/dbraw/zinc/79/09/94/650790994.db2.gz PHCXRLWSOJSFOD-CVEARBPZSA-N 1 2 388.917 2.021 20 0 GEADLO Cn1cnnc1C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000536352344 650800898 /nfs/dbraw/zinc/80/08/98/650800898.db2.gz CCLDAQWZTSESIK-UHFFFAOYSA-N 1 2 378.274 2.428 20 0 GEADLO COCc1c(Br)cccc1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000067551210 642971313 /nfs/dbraw/zinc/97/13/13/642971313.db2.gz WUHFKHSAAGSUKL-UHFFFAOYSA-N 1 2 386.290 2.391 20 0 GEADLO O=C(C[N@@H+](CCO)Cc1cccc(F)c1)Nc1ccc(Br)cn1 ZINC000494250040 650802886 /nfs/dbraw/zinc/80/28/86/650802886.db2.gz FVXNRVXWYYLVRJ-UHFFFAOYSA-N 1 2 382.233 2.416 20 0 GEADLO O=C(C[N@H+](CCO)Cc1cccc(F)c1)Nc1ccc(Br)cn1 ZINC000494250040 650802892 /nfs/dbraw/zinc/80/28/92/650802892.db2.gz FVXNRVXWYYLVRJ-UHFFFAOYSA-N 1 2 382.233 2.416 20 0 GEADLO COC(=O)[C@@](C)(NC(=O)CCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000068451946 642998466 /nfs/dbraw/zinc/99/84/66/642998466.db2.gz SCHBSNBWXXPTJT-INIZCTEOSA-N 1 2 380.242 2.240 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069147768 643021603 /nfs/dbraw/zinc/02/16/03/643021603.db2.gz QRRLHMAUIQXUDM-UHFFFAOYSA-N 1 2 393.962 2.052 20 0 GEADLO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(Br)c3O)C2)CC1 ZINC000536730634 650806768 /nfs/dbraw/zinc/80/67/68/650806768.db2.gz WHIZCSLTCUEBMU-AWEZNQCLSA-N 1 2 396.329 2.395 20 0 GEADLO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093925073 643084586 /nfs/dbraw/zinc/08/45/86/643084586.db2.gz VGMMUXNNDXGLTQ-GFCCVEGCSA-N 1 2 378.841 2.453 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+](CCOCC(F)(F)F)C1)c1cccc(F)c1 ZINC000104725997 643189208 /nfs/dbraw/zinc/18/92/08/643189208.db2.gz LJGBNUBAJDFQJM-ZDUSSCGKSA-N 1 2 384.395 2.147 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+](CCOCC(F)(F)F)C1)c1cccc(F)c1 ZINC000104725997 643189213 /nfs/dbraw/zinc/18/92/13/643189213.db2.gz LJGBNUBAJDFQJM-ZDUSSCGKSA-N 1 2 384.395 2.147 20 0 GEADLO CC[C@@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1nc(C)cs1 ZINC000104791440 643194057 /nfs/dbraw/zinc/19/40/57/643194057.db2.gz RXVIAPUNELYVCS-PBHICJAKSA-N 1 2 384.571 2.410 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCCc2ccccc2Br)CCO1 ZINC000495135086 650822880 /nfs/dbraw/zinc/82/28/80/650822880.db2.gz ANESCBOXTNZBAM-HNNXBMFYSA-N 1 2 384.318 2.402 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCCc2ccccc2Br)CCO1 ZINC000495135086 650822881 /nfs/dbraw/zinc/82/28/81/650822881.db2.gz ANESCBOXTNZBAM-HNNXBMFYSA-N 1 2 384.318 2.402 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCCc2ccccc2Br)CCO1 ZINC000495135087 650822906 /nfs/dbraw/zinc/82/29/06/650822906.db2.gz ANESCBOXTNZBAM-OAHLLOKOSA-N 1 2 384.318 2.402 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccccc2Br)CCO1 ZINC000495135087 650822908 /nfs/dbraw/zinc/82/29/08/650822908.db2.gz ANESCBOXTNZBAM-OAHLLOKOSA-N 1 2 384.318 2.402 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(F)c(Br)cc2F)CC[N@H+]1C ZINC000537749570 650822928 /nfs/dbraw/zinc/82/29/28/650822928.db2.gz MRGWHZVJYOPSCO-BDAKNGLRSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000537749570 650822929 /nfs/dbraw/zinc/82/29/29/650822929.db2.gz MRGWHZVJYOPSCO-BDAKNGLRSA-N 1 2 383.258 2.440 20 0 GEADLO CC(C)S(=O)(=O)CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106829711 643240234 /nfs/dbraw/zinc/24/02/34/643240234.db2.gz CVFDMASUKZVAQF-UHFFFAOYSA-N 1 2 386.945 2.491 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000107302628 643253282 /nfs/dbraw/zinc/25/32/82/643253282.db2.gz HUJATKLZKMWOHY-GFCCVEGCSA-N 1 2 384.889 2.000 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000107302628 643253290 /nfs/dbraw/zinc/25/32/90/643253290.db2.gz HUJATKLZKMWOHY-GFCCVEGCSA-N 1 2 384.889 2.000 20 0 GEADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000537897650 650825369 /nfs/dbraw/zinc/82/53/69/650825369.db2.gz XCMXUQZUPQZCKR-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000537897650 650825372 /nfs/dbraw/zinc/82/53/72/650825372.db2.gz XCMXUQZUPQZCKR-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO Cc1cc(OC[C@@H](O)C[N@@H+]2CCSC[C@@H]2C(N)=O)c(C(C)C)cc1Cl ZINC000538037142 650828312 /nfs/dbraw/zinc/82/83/12/650828312.db2.gz HRGLJXYYLGKDHC-XJKSGUPXSA-N 1 2 386.945 2.414 20 0 GEADLO Cc1cc(OC[C@@H](O)C[N@H+]2CCSC[C@@H]2C(N)=O)c(C(C)C)cc1Cl ZINC000538037142 650828318 /nfs/dbraw/zinc/82/83/18/650828318.db2.gz HRGLJXYYLGKDHC-XJKSGUPXSA-N 1 2 386.945 2.414 20 0 GEADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)N3CCC[C@@H](C)C3)CC2)cs1 ZINC000111357702 643337736 /nfs/dbraw/zinc/33/77/36/643337736.db2.gz UZCXDSMJTHIDRQ-CQSZACIVSA-N 1 2 386.587 2.230 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000497049933 650832098 /nfs/dbraw/zinc/83/20/98/650832098.db2.gz LSTISYDRILUSAT-LLVKDONJSA-N 1 2 386.279 2.240 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000115574443 643441181 /nfs/dbraw/zinc/44/11/81/643441181.db2.gz TVFSYBQHHDRGQO-CQSZACIVSA-N 1 2 387.311 2.148 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000115574443 643441182 /nfs/dbraw/zinc/44/11/82/643441182.db2.gz TVFSYBQHHDRGQO-CQSZACIVSA-N 1 2 387.311 2.148 20 0 GEADLO COC(=O)CCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000116389154 643462785 /nfs/dbraw/zinc/46/27/85/643462785.db2.gz LOGJLPWZPINXQQ-UHFFFAOYSA-N 1 2 380.919 2.051 20 0 GEADLO COC(=O)CCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000116389154 643462787 /nfs/dbraw/zinc/46/27/87/643462787.db2.gz LOGJLPWZPINXQQ-UHFFFAOYSA-N 1 2 380.919 2.051 20 0 GEADLO CC(C)(CNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)[NH+]1CCOCC1 ZINC000118461155 643513176 /nfs/dbraw/zinc/51/31/76/643513176.db2.gz IRLSSXXBSHAWEC-HNNXBMFYSA-N 1 2 390.311 2.437 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccncc1I ZINC000119154211 643538993 /nfs/dbraw/zinc/53/89/93/643538993.db2.gz MDMHYKXQFOJRAQ-UHFFFAOYSA-N 1 2 396.232 2.192 20 0 GEADLO O=S(=O)(c1ccc(C[NH2+]Cc2cccc(F)c2F)s1)N1CCOCC1 ZINC000539713125 650848439 /nfs/dbraw/zinc/84/84/39/650848439.db2.gz RBOVDJWCQHKAEM-UHFFFAOYSA-N 1 2 388.461 2.337 20 0 GEADLO CCc1noc(C)c1C[NH+]1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000119682124 643565628 /nfs/dbraw/zinc/56/56/28/643565628.db2.gz LRCYAQOHIVLXHD-UHFFFAOYSA-N 1 2 396.289 2.429 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(Br)n1 ZINC000119811461 643572481 /nfs/dbraw/zinc/57/24/81/643572481.db2.gz VLLSEYWVPCTYSC-OAHLLOKOSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(Br)n1 ZINC000119811461 643572485 /nfs/dbraw/zinc/57/24/85/643572485.db2.gz VLLSEYWVPCTYSC-OAHLLOKOSA-N 1 2 390.281 2.475 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(F)ccc2Br)C[C@H]1C ZINC000539774347 650849629 /nfs/dbraw/zinc/84/96/29/650849629.db2.gz QSUIAQRBSKJROZ-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(F)ccc2Br)C[C@H]1C ZINC000539774347 650849632 /nfs/dbraw/zinc/84/96/32/650849632.db2.gz QSUIAQRBSKJROZ-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO O=S(=O)(CCCC(F)(F)F)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000539776399 650850135 /nfs/dbraw/zinc/85/01/35/650850135.db2.gz VQFUISZNAZPRET-UHFFFAOYSA-N 1 2 379.448 2.071 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1 ZINC000121954510 643646663 /nfs/dbraw/zinc/64/66/63/643646663.db2.gz VTJQFVWYXJLNHL-UHFFFAOYSA-N 1 2 387.311 2.405 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1 ZINC000121954510 643646665 /nfs/dbraw/zinc/64/66/65/643646665.db2.gz VTJQFVWYXJLNHL-UHFFFAOYSA-N 1 2 387.311 2.405 20 0 GEADLO Cc1nc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 ZINC000126630605 643738857 /nfs/dbraw/zinc/73/88/57/643738857.db2.gz RZZVZQRTZDBXCK-ZDUSSCGKSA-N 1 2 381.523 2.323 20 0 GEADLO O=S(=O)(c1cc(Br)ccc1F)N1CC[NH+](CC2CC2)CC1 ZINC000130902900 643854948 /nfs/dbraw/zinc/85/49/48/643854948.db2.gz OXPOENNWULACST-UHFFFAOYSA-N 1 2 377.279 2.305 20 0 GEADLO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3c(F)cccc3Cl)CC2)CCO1 ZINC000131277467 643869505 /nfs/dbraw/zinc/86/95/05/643869505.db2.gz RZCAFKJLFHTQNY-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3c(F)cccc3Cl)CC2)CCO1 ZINC000131277467 643869508 /nfs/dbraw/zinc/86/95/08/643869508.db2.gz RZCAFKJLFHTQNY-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO O=S(=O)(c1ccc(Br)cc1F)N1CC[NH+](CC2CC2)CC1 ZINC000154503313 644047037 /nfs/dbraw/zinc/04/70/37/644047037.db2.gz BEFHABPOWKBQKM-UHFFFAOYSA-N 1 2 377.279 2.305 20 0 GEADLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)n1 ZINC000154550350 644051456 /nfs/dbraw/zinc/05/14/56/644051456.db2.gz LRRJZRZCWXNWJR-UHFFFAOYSA-N 1 2 385.486 2.458 20 0 GEADLO Cn1c(C(=O)N2CC[NH+](CCO)CC2)ccc1-c1ccc(Br)cc1 ZINC000154923793 644060896 /nfs/dbraw/zinc/06/08/96/644060896.db2.gz ZYMVUGVFEGZPGG-UHFFFAOYSA-N 1 2 392.297 2.205 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(F)cc1Br ZINC000499669478 650889833 /nfs/dbraw/zinc/88/98/33/650889833.db2.gz NYVLUIZHADIZBU-SNVBAGLBSA-N 1 2 395.232 2.163 20 0 GEADLO CS(=O)(=O)CC[N@H+](Cc1ccc(I)cc1)C1CC1 ZINC000157108809 644131293 /nfs/dbraw/zinc/13/12/93/644131293.db2.gz JOPQBYSFMGXMIQ-UHFFFAOYSA-N 1 2 379.263 2.300 20 0 GEADLO CS(=O)(=O)CC[N@@H+](Cc1ccc(I)cc1)C1CC1 ZINC000157108809 644131296 /nfs/dbraw/zinc/13/12/96/644131296.db2.gz JOPQBYSFMGXMIQ-UHFFFAOYSA-N 1 2 379.263 2.300 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2ccc(Br)nc2)c1C ZINC000157473951 644134918 /nfs/dbraw/zinc/13/49/18/644134918.db2.gz SYECKVZFRVMATD-UHFFFAOYSA-N 1 2 393.241 2.119 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161520036 644211163 /nfs/dbraw/zinc/21/11/63/644211163.db2.gz BVQGQTAFTUNWMK-OAHLLOKOSA-N 1 2 380.432 2.072 20 0 GEADLO NC(=O)[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cccc(Br)c1 ZINC000162094234 644231964 /nfs/dbraw/zinc/23/19/64/644231964.db2.gz RYTAKIUWLJLUNS-HZPDHXFCSA-N 1 2 388.265 2.371 20 0 GEADLO COCCn1cnn(CN2CC[NH+](Cc3ccccc3Cl)CC2)c1=S ZINC000165797834 644271397 /nfs/dbraw/zinc/27/13/97/644271397.db2.gz ATWXVOQJFBQDSM-UHFFFAOYSA-N 1 2 381.933 2.489 20 0 GEADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N2CCN(C(=O)c3cccs3)CC2)s1 ZINC000543548397 650914056 /nfs/dbraw/zinc/91/40/56/650914056.db2.gz JNCAEEZKAOWSRC-ZDUSSCGKSA-N 1 2 378.523 2.148 20 0 GEADLO O=S(=O)(Cc1ccon1)N1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000174066920 644367595 /nfs/dbraw/zinc/36/75/95/644367595.db2.gz WWNODQJWKAZMKL-UHFFFAOYSA-N 1 2 383.901 2.408 20 0 GEADLO C[NH+](C)CCCNC(=O)C[C@@H]1S/C(=N/c2ccc(F)c(Cl)c2)NC1=O ZINC000174891773 644384315 /nfs/dbraw/zinc/38/43/15/644384315.db2.gz QICANJBLRWJLAR-ZDUSSCGKSA-N 1 2 386.880 2.156 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177283294 644412736 /nfs/dbraw/zinc/41/27/36/644412736.db2.gz FQUBUJPRZNOKSD-CQSZACIVSA-N 1 2 395.219 2.407 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177283294 644412748 /nfs/dbraw/zinc/41/27/48/644412748.db2.gz FQUBUJPRZNOKSD-CQSZACIVSA-N 1 2 395.219 2.407 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)c(Br)n1 ZINC000179888768 644478703 /nfs/dbraw/zinc/47/87/03/644478703.db2.gz NSBGXXDKBBQVDU-UHFFFAOYSA-N 1 2 388.225 2.055 20 0 GEADLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000181039593 644520190 /nfs/dbraw/zinc/52/01/90/644520190.db2.gz BZPPVFOUBCAPKQ-UHFFFAOYSA-N 1 2 385.829 2.022 20 0 GEADLO C[C@H]([NH2+]Cc1csc(-c2ncccn2)n1)c1cccc(S(N)(=O)=O)c1 ZINC000543989609 650929999 /nfs/dbraw/zinc/92/99/99/650929999.db2.gz SBQKKYBGLZXONK-NSHDSACASA-N 1 2 375.479 2.098 20 0 GEADLO CC[C@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1nccs1 ZINC000544416505 650941897 /nfs/dbraw/zinc/94/18/97/650941897.db2.gz ZAUVFMJAEFBGBQ-AWEZNQCLSA-N 1 2 382.511 2.073 20 0 GEADLO CN1CC[N@H+](C)C[C@@H]1c1noc(CNC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000545088389 650961129 /nfs/dbraw/zinc/96/11/29/650961129.db2.gz RGSVAAHWAXZGHR-CYBMUJFWSA-N 1 2 384.267 2.225 20 0 GEADLO CN1CC[N@@H+](C)C[C@@H]1c1noc(CNC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000545088389 650961133 /nfs/dbraw/zinc/96/11/33/650961133.db2.gz RGSVAAHWAXZGHR-CYBMUJFWSA-N 1 2 384.267 2.225 20 0 GEADLO CCCCN(C(=O)C[NH2+][C@H](C)c1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000184734704 645024925 /nfs/dbraw/zinc/02/49/25/645024925.db2.gz GZSACCYAGQRLQT-ZIAGYGMSSA-N 1 2 387.571 2.172 20 0 GEADLO CCCCN(C(=O)C[NH2+][C@@H](C)c1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 ZINC000184734683 645024944 /nfs/dbraw/zinc/02/49/44/645024944.db2.gz GZSACCYAGQRLQT-KBPBESRZSA-N 1 2 387.571 2.172 20 0 GEADLO CC(C)(CNC(=O)NNc1ccc(Br)c(F)c1)[NH+]1CCOCC1 ZINC000185057437 645032824 /nfs/dbraw/zinc/03/28/24/645032824.db2.gz UVVPABVTUZQMQE-UHFFFAOYSA-N 1 2 389.269 2.325 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000185432886 645045152 /nfs/dbraw/zinc/04/51/52/645045152.db2.gz ASPZDOYFJAWEPE-UHFFFAOYSA-N 1 2 389.949 2.043 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000545464708 650975338 /nfs/dbraw/zinc/97/53/38/650975338.db2.gz HUUZBMBJAYOCIW-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000545464708 650975340 /nfs/dbraw/zinc/97/53/40/650975340.db2.gz HUUZBMBJAYOCIW-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000545464717 650975488 /nfs/dbraw/zinc/97/54/88/650975488.db2.gz HUUZBMBJAYOCIW-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000545464717 650975489 /nfs/dbraw/zinc/97/54/89/650975489.db2.gz HUUZBMBJAYOCIW-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO CO[C@H]1CC(=O)N(C[NH+]2CCC(Oc3cccc(Br)c3)CC2)C1 ZINC000189193492 645134384 /nfs/dbraw/zinc/13/43/84/645134384.db2.gz JPZHNXQYUWLWAF-INIZCTEOSA-N 1 2 383.286 2.497 20 0 GEADLO Cn1c[nH+]cc1Cc1noc(-c2ccc(Br)c(S(C)(=O)=O)c2)n1 ZINC000545843805 650982061 /nfs/dbraw/zinc/98/20/61/650982061.db2.gz QFDQUTLALVWXTC-UHFFFAOYSA-N 1 2 397.254 2.227 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)C(=O)Nc1ccc(Br)cc1 ZINC000190855211 645166846 /nfs/dbraw/zinc/16/68/46/645166846.db2.gz PJQCUHBMBZRMQE-VHSXEESVSA-N 1 2 379.262 2.448 20 0 GEADLO CS(=O)(=O)Cc1noc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192096544 645192749 /nfs/dbraw/zinc/19/27/49/645192749.db2.gz HZEWTWICJJOGND-WFASDCNBSA-N 1 2 389.836 2.027 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000192585623 645212512 /nfs/dbraw/zinc/21/25/12/645212512.db2.gz IFGKQOJYCJUQJC-HZPDHXFCSA-N 1 2 376.881 2.089 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000193055195 645235925 /nfs/dbraw/zinc/23/59/25/645235925.db2.gz AVJFZRGDYRVBKK-UHFFFAOYSA-N 1 2 393.285 2.052 20 0 GEADLO COc1ccc(CN2CC[NH+](Cc3cnn(C)c3)CC2)c(Br)c1O ZINC000546256586 650997243 /nfs/dbraw/zinc/99/72/43/650997243.db2.gz OQSRMPBDKCKTQY-UHFFFAOYSA-N 1 2 395.301 2.215 20 0 GEADLO Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c(Cl)n1 ZINC000193815821 645301776 /nfs/dbraw/zinc/30/17/76/645301776.db2.gz HVWGPNJPLXCCDV-UHFFFAOYSA-N 1 2 382.873 2.344 20 0 GEADLO Cn1ncc(Br)c1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000196680009 645382675 /nfs/dbraw/zinc/38/26/75/645382675.db2.gz PZWQSDIKYHOIAK-UHFFFAOYSA-N 1 2 379.258 2.267 20 0 GEADLO O=c1cc(C[NH2+][C@H](CCO)c2ccco2)nc2ccc(Br)cn12 ZINC000546682014 651006859 /nfs/dbraw/zinc/00/68/59/651006859.db2.gz XYVQSWAAJPVJHP-CYBMUJFWSA-N 1 2 378.226 2.263 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)NC[C@]2(O)CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245692958 645466998 /nfs/dbraw/zinc/46/69/98/645466998.db2.gz JWGDYTGYPRKTKV-ZMSDIMECSA-N 1 2 387.908 2.392 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)NC[C@]2(O)CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245692958 645467002 /nfs/dbraw/zinc/46/70/02/645467002.db2.gz JWGDYTGYPRKTKV-ZMSDIMECSA-N 1 2 387.908 2.392 20 0 GEADLO CCc1nsc(N2CCC[N@@H+]([C@H](C)C(=O)NCc3cccs3)CC2)n1 ZINC000246957574 645499612 /nfs/dbraw/zinc/49/96/12/645499612.db2.gz AXXSFRONIXPVGW-CYBMUJFWSA-N 1 2 379.555 2.379 20 0 GEADLO CCc1nsc(N2CCC[N@H+]([C@H](C)C(=O)NCc3cccs3)CC2)n1 ZINC000246957574 645499616 /nfs/dbraw/zinc/49/96/16/645499616.db2.gz AXXSFRONIXPVGW-CYBMUJFWSA-N 1 2 379.555 2.379 20 0 GEADLO CSCC[C@H](C)[N@H+](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000247198830 645507528 /nfs/dbraw/zinc/50/75/28/645507528.db2.gz UNIDHPLZCSIXFF-RDJZCZTQSA-N 1 2 390.615 2.408 20 0 GEADLO CSCC[C@H](C)[N@@H+](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000247198830 645507539 /nfs/dbraw/zinc/50/75/39/645507539.db2.gz UNIDHPLZCSIXFF-RDJZCZTQSA-N 1 2 390.615 2.408 20 0 GEADLO C[C@H]1C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@@H](C)CO1 ZINC000249714457 645558970 /nfs/dbraw/zinc/55/89/70/645558970.db2.gz HHMWUDTYPCKVCM-STQMWFEESA-N 1 2 387.311 2.146 20 0 GEADLO C[C@H]1C[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@@H](C)CO1 ZINC000249714457 645558975 /nfs/dbraw/zinc/55/89/75/645558975.db2.gz HHMWUDTYPCKVCM-STQMWFEESA-N 1 2 387.311 2.146 20 0 GEADLO COC(=O)c1coc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)c1 ZINC000261610024 645590033 /nfs/dbraw/zinc/59/00/33/645590033.db2.gz BWJZMUZIJBYDJE-AWEZNQCLSA-N 1 2 384.841 2.055 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000264994699 645735475 /nfs/dbraw/zinc/73/54/75/645735475.db2.gz XWIOWBBWDBMAHJ-CHWSQXEVSA-N 1 2 388.559 2.320 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000264994699 645735480 /nfs/dbraw/zinc/73/54/80/645735480.db2.gz XWIOWBBWDBMAHJ-CHWSQXEVSA-N 1 2 388.559 2.320 20 0 GEADLO CC(=O)Nc1ccc(S(=O)(=O)CCCSc2nc(N)cc(C)[nH+]2)cc1 ZINC000265145240 645745850 /nfs/dbraw/zinc/74/58/50/645745850.db2.gz OWQLJKKDYJBQQJ-UHFFFAOYSA-N 1 2 380.495 2.282 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCS(=O)(=O)[C@@H](C)C3)n2)C1 ZINC000265711194 645793249 /nfs/dbraw/zinc/79/32/49/645793249.db2.gz WAEXUCUEUVQVHD-STQMWFEESA-N 1 2 386.543 2.026 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCS(=O)(=O)[C@@H](C)C3)n2)C1 ZINC000265711194 645793260 /nfs/dbraw/zinc/79/32/60/645793260.db2.gz WAEXUCUEUVQVHD-STQMWFEESA-N 1 2 386.543 2.026 20 0 GEADLO O=C(NCCn1cc[nH+]c1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000266278481 645834939 /nfs/dbraw/zinc/83/49/39/645834939.db2.gz SYHJCOANFSRUKC-INIZCTEOSA-N 1 2 383.279 2.380 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000267083619 645879821 /nfs/dbraw/zinc/87/98/21/645879821.db2.gz COMYLTXVCYIJTO-LLVKDONJSA-N 1 2 377.242 2.150 20 0 GEADLO CC(C)Cn1cnc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000267271932 645894106 /nfs/dbraw/zinc/89/41/06/645894106.db2.gz MPRUZQWGQDHEBV-UHFFFAOYSA-N 1 2 382.555 2.150 20 0 GEADLO CN(Cc1cc(Br)cn1C)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000268147086 645948068 /nfs/dbraw/zinc/94/80/68/645948068.db2.gz AHDDEZFLEMEKKI-CYBMUJFWSA-N 1 2 394.317 2.423 20 0 GEADLO CN(Cc1cc(Br)cn1C)c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000268147086 645948075 /nfs/dbraw/zinc/94/80/75/645948075.db2.gz AHDDEZFLEMEKKI-CYBMUJFWSA-N 1 2 394.317 2.423 20 0 GEADLO CCOc1c(Br)cc(C[NH2+]Cc2cc(C(N)=O)no2)cc1OC ZINC000268185249 645950504 /nfs/dbraw/zinc/95/05/04/645950504.db2.gz UNVGPYXJARSJSU-UHFFFAOYSA-N 1 2 384.230 2.233 20 0 GEADLO Cn1cc([C@@H](CO)[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)cn1 ZINC000270158055 646088913 /nfs/dbraw/zinc/08/89/13/646088913.db2.gz FBSIUDVTTFNVKC-OAHLLOKOSA-N 1 2 376.258 2.396 20 0 GEADLO COc1sc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1Br ZINC000270974877 646160204 /nfs/dbraw/zinc/16/02/04/646160204.db2.gz AIPZWRFBNTZIBW-JTQLQIEISA-N 1 2 397.360 2.280 20 0 GEADLO COc1sc(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1Br ZINC000270974877 646160208 /nfs/dbraw/zinc/16/02/08/646160208.db2.gz AIPZWRFBNTZIBW-JTQLQIEISA-N 1 2 397.360 2.280 20 0 GEADLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000270975955 646160317 /nfs/dbraw/zinc/16/03/17/646160317.db2.gz WUSVQHJSVMQFTF-SNVBAGLBSA-N 1 2 381.230 2.289 20 0 GEADLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000270975955 646160323 /nfs/dbraw/zinc/16/03/23/646160323.db2.gz WUSVQHJSVMQFTF-SNVBAGLBSA-N 1 2 381.230 2.289 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)C(C)(C)C1 ZINC000271038816 646166728 /nfs/dbraw/zinc/16/67/28/646166728.db2.gz MOVRIRXQCXQYDC-UHFFFAOYSA-N 1 2 382.711 2.212 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)C(C)(C)C1 ZINC000271038816 646166732 /nfs/dbraw/zinc/16/67/32/646166732.db2.gz MOVRIRXQCXQYDC-UHFFFAOYSA-N 1 2 382.711 2.212 20 0 GEADLO CN(C(=O)c1csc(S(C)(=O)=O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000271201542 646178530 /nfs/dbraw/zinc/17/85/30/646178530.db2.gz IRWOBPKOPFSKNX-INIZCTEOSA-N 1 2 378.519 2.498 20 0 GEADLO CN(C(=O)c1csc(S(C)(=O)=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271201542 646178533 /nfs/dbraw/zinc/17/85/33/646178533.db2.gz IRWOBPKOPFSKNX-INIZCTEOSA-N 1 2 378.519 2.498 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCS(=O)(=O)C(C)(C)C3)c[nH+]c12 ZINC000273163628 646307760 /nfs/dbraw/zinc/30/77/60/646307760.db2.gz KYSSDKTVYLWAEW-UHFFFAOYSA-N 1 2 386.315 2.414 20 0 GEADLO CNC(=O)c1ccc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)nn1 ZINC000273341597 646311682 /nfs/dbraw/zinc/31/16/82/646311682.db2.gz SYRKVFJZSYVOMY-UHFFFAOYSA-N 1 2 389.257 2.209 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1)c1ccc(Cl)cc1Cl ZINC000274966030 646337600 /nfs/dbraw/zinc/33/76/00/646337600.db2.gz JSXZJINOCLTGDF-SNVBAGLBSA-N 1 2 381.263 2.312 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1)c1ccc(Cl)cc1Cl ZINC000274966030 646337606 /nfs/dbraw/zinc/33/76/06/646337606.db2.gz JSXZJINOCLTGDF-SNVBAGLBSA-N 1 2 381.263 2.312 20 0 GEADLO Cc1sc(Br)nc1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000278305496 646512424 /nfs/dbraw/zinc/51/24/24/646512424.db2.gz HUFIXJDOJNVGNN-UHFFFAOYSA-N 1 2 382.287 2.275 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000278368157 646517356 /nfs/dbraw/zinc/51/73/56/646517356.db2.gz SGWZSLALOWMULW-DOMZBBRYSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000278368157 646517360 /nfs/dbraw/zinc/51/73/60/646517360.db2.gz SGWZSLALOWMULW-DOMZBBRYSA-N 1 2 376.266 2.434 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000278724399 646543191 /nfs/dbraw/zinc/54/31/91/646543191.db2.gz TUJJNLOATAMGAH-UHFFFAOYSA-N 1 2 379.258 2.429 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(C)c1Cl ZINC000278729910 646543804 /nfs/dbraw/zinc/54/38/04/646543804.db2.gz JAZOUJFCIVLYSS-LLVKDONJSA-N 1 2 390.914 2.131 20 0 GEADLO C[C@@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1nc(C(F)(F)F)cs1 ZINC000278876552 646560073 /nfs/dbraw/zinc/56/00/73/646560073.db2.gz HNSFSQFWHOSESZ-SNVBAGLBSA-N 1 2 379.404 2.178 20 0 GEADLO COC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000278988268 646569124 /nfs/dbraw/zinc/56/91/24/646569124.db2.gz RVCDCCJBOLGJBL-SECBINFHSA-N 1 2 379.404 2.224 20 0 GEADLO CCc1n[nH]c(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1Br ZINC000279810147 646629108 /nfs/dbraw/zinc/62/91/08/646629108.db2.gz UEKUYJVIBJEFAS-BXKDBHETSA-N 1 2 382.262 2.118 20 0 GEADLO CCOCC[C@@H](O)C[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280836231 646722950 /nfs/dbraw/zinc/72/29/50/646722950.db2.gz WQCPUPXMVKXVOM-MRXNPFEDSA-N 1 2 383.290 2.249 20 0 GEADLO CCOCC[C@@H](O)C[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280836231 646722959 /nfs/dbraw/zinc/72/29/59/646722959.db2.gz WQCPUPXMVKXVOM-MRXNPFEDSA-N 1 2 383.290 2.249 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)C2(c3cncc(Br)c3)CC2)CCO1 ZINC000281514914 646777783 /nfs/dbraw/zinc/77/77/83/646777783.db2.gz HLSPETWALGJRJQ-UHFFFAOYSA-N 1 2 382.302 2.103 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)C2(c3cncc(Br)c3)CC2)CCO1 ZINC000281514914 646777785 /nfs/dbraw/zinc/77/77/85/646777785.db2.gz HLSPETWALGJRJQ-UHFFFAOYSA-N 1 2 382.302 2.103 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000282013149 646810191 /nfs/dbraw/zinc/81/01/91/646810191.db2.gz WVGRGVHJDIXGKI-OAHLLOKOSA-N 1 2 391.269 2.037 20 0 GEADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NCc1ccc(Cl)cc1 ZINC000283691867 646827692 /nfs/dbraw/zinc/82/76/92/646827692.db2.gz HFTQYZBXDRJDFI-UHFFFAOYSA-N 1 2 377.897 2.192 20 0 GEADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NCc1ccc(Cl)cc1 ZINC000283691867 646827695 /nfs/dbraw/zinc/82/76/95/646827695.db2.gz HFTQYZBXDRJDFI-UHFFFAOYSA-N 1 2 377.897 2.192 20 0 GEADLO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000284052412 646831308 /nfs/dbraw/zinc/83/13/08/646831308.db2.gz SWARNQOHEFHPGE-ZDUSSCGKSA-N 1 2 393.285 2.084 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000284085954 646832199 /nfs/dbraw/zinc/83/21/99/646832199.db2.gz AJRKLTFFAWHNGR-CYBMUJFWSA-N 1 2 376.881 2.212 20 0 GEADLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NCc3scnc3C)c2)CC1 ZINC000285406628 646855984 /nfs/dbraw/zinc/85/59/84/646855984.db2.gz BEBGUARKDDIXDH-UHFFFAOYSA-N 1 2 380.539 2.390 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000285646465 646861005 /nfs/dbraw/zinc/86/10/05/646861005.db2.gz DLXWKFPVAUTJPC-OCCSQVGLSA-N 1 2 385.277 2.452 20 0 GEADLO COC(=O)[C@H]1CC[C@@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000285984792 646863402 /nfs/dbraw/zinc/86/34/02/646863402.db2.gz FZUMVAQDXYOFSD-KBPBESRZSA-N 1 2 394.269 2.263 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1cc(F)ccc1Br ZINC000286026011 646865268 /nfs/dbraw/zinc/86/52/68/646865268.db2.gz ZVWOQHPCPDOKTO-IUODEOHRSA-N 1 2 385.277 2.452 20 0 GEADLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NCc3nc(C)cs3)c2)CC1 ZINC000286164762 646868474 /nfs/dbraw/zinc/86/84/74/646868474.db2.gz WNLXKMVNKOJESL-UHFFFAOYSA-N 1 2 380.539 2.390 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287350608 646884755 /nfs/dbraw/zinc/88/47/55/646884755.db2.gz NIVCBTKRQAQYLJ-DGCLKSJQSA-N 1 2 398.301 2.096 20 0 GEADLO C[C@H](Cc1ccccc1Br)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288386411 646916248 /nfs/dbraw/zinc/91/62/48/646916248.db2.gz PNPFJPALSVGHLL-YGRLFVJLSA-N 1 2 377.242 2.266 20 0 GEADLO C[C@H](Cc1ccccc1Br)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288386411 646916254 /nfs/dbraw/zinc/91/62/54/646916254.db2.gz PNPFJPALSVGHLL-YGRLFVJLSA-N 1 2 377.242 2.266 20 0 GEADLO COC(=O)C[C@@H](NC(=O)NCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000291261323 647177719 /nfs/dbraw/zinc/17/77/19/647177719.db2.gz MNMFYLNMLPVXJF-CQSZACIVSA-N 1 2 395.257 2.286 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@@H+](Cc3cc4c(cc3Br)OCCCO4)CC[C@@H]21 ZINC000329019559 647314517 /nfs/dbraw/zinc/31/45/17/647314517.db2.gz LJOIUJBGTIIHQJ-KGLIPLIRSA-N 1 2 396.285 2.413 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@H+](Cc3cc4c(cc3Br)OCCCO4)CC[C@@H]21 ZINC000329019559 647314521 /nfs/dbraw/zinc/31/45/21/647314521.db2.gz LJOIUJBGTIIHQJ-KGLIPLIRSA-N 1 2 396.285 2.413 20 0 GEADLO Cn1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(-c2ccc(Cl)s2)n1 ZINC000330013237 647329113 /nfs/dbraw/zinc/32/91/13/647329113.db2.gz LWSITHZXBIPKGS-LBPRGKRZSA-N 1 2 380.901 2.349 20 0 GEADLO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330451145 647337607 /nfs/dbraw/zinc/33/76/07/647337607.db2.gz UISAMFWAKVEUIK-JQWIXIFHSA-N 1 2 391.693 2.317 20 0 GEADLO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330451145 647337614 /nfs/dbraw/zinc/33/76/14/647337614.db2.gz UISAMFWAKVEUIK-JQWIXIFHSA-N 1 2 391.693 2.317 20 0 GEADLO COc1c(C)c[nH+]c(CSc2nnc([C@H]3CCS(=O)(=O)C3)n2C)c1C ZINC000331885266 647401684 /nfs/dbraw/zinc/40/16/84/647401684.db2.gz GWYLEUZMFYWDRP-LBPRGKRZSA-N 1 2 382.511 2.030 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)cc2s1 ZINC000332666697 647451620 /nfs/dbraw/zinc/45/16/20/647451620.db2.gz YGXIUBIOFDKEMZ-GFCCVEGCSA-N 1 2 383.539 2.070 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)cc2s1 ZINC000332666697 647451626 /nfs/dbraw/zinc/45/16/26/647451626.db2.gz YGXIUBIOFDKEMZ-GFCCVEGCSA-N 1 2 383.539 2.070 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c(F)cc1Br ZINC000333215206 647465262 /nfs/dbraw/zinc/46/52/62/647465262.db2.gz VIZCEXFLRIJCCX-JTQLQIEISA-N 1 2 388.262 2.386 20 0 GEADLO C[C@@H](CNC(=O)N1CC[S@@](=O)C(C)(C)CC1)[N@@H+]1CCc2sccc2C1 ZINC000333953786 647486681 /nfs/dbraw/zinc/48/66/81/647486681.db2.gz DRAVSVVELBAWER-HWRSSNJWSA-N 1 2 383.583 2.437 20 0 GEADLO C[C@@H](CNC(=O)N1CC[S@@](=O)C(C)(C)CC1)[N@H+]1CCc2sccc2C1 ZINC000333953786 647486684 /nfs/dbraw/zinc/48/66/84/647486684.db2.gz DRAVSVVELBAWER-HWRSSNJWSA-N 1 2 383.583 2.437 20 0 GEADLO COc1cc(Br)ccc1[C@H](C)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348589164 647494861 /nfs/dbraw/zinc/49/48/61/647494861.db2.gz PKJVBTQBRWBUAM-ZANVPECISA-N 1 2 393.241 2.405 20 0 GEADLO COc1cc(Br)ccc1[C@H](C)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348589164 647494868 /nfs/dbraw/zinc/49/48/68/647494868.db2.gz PKJVBTQBRWBUAM-ZANVPECISA-N 1 2 393.241 2.405 20 0 GEADLO O=C(Nc1nnc(C(F)(F)F)s1)NC1CC[NH+](Cc2cscn2)CC1 ZINC000361575220 647561639 /nfs/dbraw/zinc/56/16/39/647561639.db2.gz GUPDPAJHCNWFLS-UHFFFAOYSA-N 1 2 392.432 2.800 20 0 GEADLO O=C(NC1CC[NH+](Cc2cscn2)CC1)[C@@H]1CCCN1c1nccs1 ZINC000363382904 647593819 /nfs/dbraw/zinc/59/38/19/647593819.db2.gz FQDIBXWISHMPEJ-HNNXBMFYSA-N 1 2 377.539 2.349 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000363566103 647600847 /nfs/dbraw/zinc/60/08/47/647600847.db2.gz MOGMWKOPYLLCPP-HOTGVXAUSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000363566103 647600853 /nfs/dbraw/zinc/60/08/53/647600853.db2.gz MOGMWKOPYLLCPP-HOTGVXAUSA-N 1 2 384.307 2.377 20 0 GEADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000363644096 647604750 /nfs/dbraw/zinc/60/47/50/647604750.db2.gz ZQJZHOBRBNGPAO-UHFFFAOYSA-N 1 2 383.945 2.196 20 0 GEADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000363644096 647604753 /nfs/dbraw/zinc/60/47/53/647604753.db2.gz ZQJZHOBRBNGPAO-UHFFFAOYSA-N 1 2 383.945 2.196 20 0 GEADLO CNC(=O)Cc1noc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000363890202 647610241 /nfs/dbraw/zinc/61/02/41/647610241.db2.gz CBUJYZUBRLQJER-NSHDSACASA-N 1 2 385.251 2.318 20 0 GEADLO CNC(=O)Cc1noc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000363890202 647610248 /nfs/dbraw/zinc/61/02/48/647610248.db2.gz CBUJYZUBRLQJER-NSHDSACASA-N 1 2 385.251 2.318 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCC[C@]4(CNC(=O)O4)C3)c[nH+]c12 ZINC000364893329 647647595 /nfs/dbraw/zinc/64/75/95/647647595.db2.gz QMNOFXCLQAQOJS-INIZCTEOSA-N 1 2 379.258 2.480 20 0 GEADLO CCn1cc(Br)cc1C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000365113976 647659865 /nfs/dbraw/zinc/65/98/65/647659865.db2.gz BLQUIRJSZTWHRB-HNNXBMFYSA-N 1 2 397.361 2.370 20 0 GEADLO C[C@H](CS(C)(=O)=O)NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000365332750 647667792 /nfs/dbraw/zinc/66/77/92/647667792.db2.gz FRERIHUBQKGJEH-IVMMDQJWSA-N 1 2 387.933 2.065 20 0 GEADLO C[C@H](CS(C)(=O)=O)NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000365332750 647667797 /nfs/dbraw/zinc/66/77/97/647667797.db2.gz FRERIHUBQKGJEH-IVMMDQJWSA-N 1 2 387.933 2.065 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000365753537 647685860 /nfs/dbraw/zinc/68/58/60/647685860.db2.gz ZZAAPROVCNLTMR-GFCCVEGCSA-N 1 2 379.258 2.232 20 0 GEADLO COC(=O)[C@H]1C[C@H](NC(=O)C2(c3ccc(Br)cc3)CCCC2)C[NH2+]1 ZINC000365756862 647686050 /nfs/dbraw/zinc/68/60/50/647686050.db2.gz ANBVNXORIDUGJR-LSDHHAIUSA-N 1 2 395.297 2.281 20 0 GEADLO Cc1nn(C)c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1Br ZINC000365768118 647686877 /nfs/dbraw/zinc/68/68/77/647686877.db2.gz ROQBWYAAAIEITJ-UHFFFAOYSA-N 1 2 379.306 2.408 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000366792736 647704727 /nfs/dbraw/zinc/70/47/27/647704727.db2.gz AJUFBDFWPKEVDW-UONOGXRCSA-N 1 2 386.880 2.245 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000366792736 647704731 /nfs/dbraw/zinc/70/47/31/647704731.db2.gz AJUFBDFWPKEVDW-UONOGXRCSA-N 1 2 386.880 2.245 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000366792735 647704835 /nfs/dbraw/zinc/70/48/35/647704835.db2.gz AJUFBDFWPKEVDW-KGLIPLIRSA-N 1 2 386.880 2.245 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000366792735 647704838 /nfs/dbraw/zinc/70/48/38/647704838.db2.gz AJUFBDFWPKEVDW-KGLIPLIRSA-N 1 2 386.880 2.245 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000366792737 647704985 /nfs/dbraw/zinc/70/49/85/647704985.db2.gz AJUFBDFWPKEVDW-ZIAGYGMSSA-N 1 2 386.880 2.245 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000366792737 647704989 /nfs/dbraw/zinc/70/49/89/647704989.db2.gz AJUFBDFWPKEVDW-ZIAGYGMSSA-N 1 2 386.880 2.245 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(Br)cc2nc[nH]c21 ZINC000367076728 647717805 /nfs/dbraw/zinc/71/78/05/647717805.db2.gz BRLNOWNMVZQMJD-QWHCGFSZSA-N 1 2 393.285 2.309 20 0 GEADLO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(Br)cc2nc[nH]c21 ZINC000367076728 647717808 /nfs/dbraw/zinc/71/78/08/647717808.db2.gz BRLNOWNMVZQMJD-QWHCGFSZSA-N 1 2 393.285 2.309 20 0 GEADLO Ic1cnc(C[NH2+]Cc2cccnc2-n2cncn2)s1 ZINC000367532151 647735890 /nfs/dbraw/zinc/73/58/90/647735890.db2.gz XUMDMNXJMYSTMG-UHFFFAOYSA-N 1 2 398.233 2.013 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c(Br)c1 ZINC000368092335 647750675 /nfs/dbraw/zinc/75/06/75/647750675.db2.gz LESHKSYCKLGHJW-AVGNSLFASA-N 1 2 380.286 2.152 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c(Br)c1 ZINC000368092335 647750678 /nfs/dbraw/zinc/75/06/78/647750678.db2.gz LESHKSYCKLGHJW-AVGNSLFASA-N 1 2 380.286 2.152 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369042625 647767471 /nfs/dbraw/zinc/76/74/71/647767471.db2.gz VYWPNPCFISPYTA-MEDUHNTESA-N 1 2 382.258 2.351 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369042625 647767476 /nfs/dbraw/zinc/76/74/76/647767476.db2.gz VYWPNPCFISPYTA-MEDUHNTESA-N 1 2 382.258 2.351 20 0 GEADLO C[NH+]1CCN(C[C@H]2CCCN(C(=O)Cc3ccccc3Br)C2)CC1 ZINC000369039196 647767711 /nfs/dbraw/zinc/76/77/11/647767711.db2.gz WNXFFXKFVXEXIL-MRXNPFEDSA-N 1 2 394.357 2.478 20 0 GEADLO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000370201760 647782378 /nfs/dbraw/zinc/78/23/78/647782378.db2.gz OECRQLCQPOKEKL-HNNXBMFYSA-N 1 2 381.416 2.248 20 0 GEADLO CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000370201760 647782382 /nfs/dbraw/zinc/78/23/82/647782382.db2.gz OECRQLCQPOKEKL-HNNXBMFYSA-N 1 2 381.416 2.248 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC(n4cc([C@H](C)O)nn4)C3)c[nH+]c12 ZINC000371803294 647800771 /nfs/dbraw/zinc/80/07/71/647800771.db2.gz OYUVEKBNWANTGG-NSHDSACASA-N 1 2 391.273 2.107 20 0 GEADLO Cn1cnc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)c1Cl ZINC000374312477 647820996 /nfs/dbraw/zinc/82/09/96/647820996.db2.gz OJJISBVYIIATOS-GFCCVEGCSA-N 1 2 375.281 2.062 20 0 GEADLO C[NH+]1CCN(C2(C(=O)Nc3nc(Br)ccc3O)CCCC2)CC1 ZINC000377010155 647853788 /nfs/dbraw/zinc/85/37/88/647853788.db2.gz QKHFNAWQSSOOGQ-UHFFFAOYSA-N 1 2 383.290 2.048 20 0 GEADLO CN1CC[C@@H]([NH2+]Cc2nnc(S(C)(=O)=O)s2)[C@H]1c1ccc(Cl)cc1 ZINC000377672475 647864569 /nfs/dbraw/zinc/86/45/69/647864569.db2.gz RATAXTCVVXVXKL-TZMCWYRMSA-N 1 2 386.930 2.130 20 0 GEADLO CN1C(=O)[C@@H]2CN(c3cc[nH+]c4c(Br)cccc34)CCN2C1=O ZINC000378028587 647876861 /nfs/dbraw/zinc/87/68/61/647876861.db2.gz DDMAGGYDQJMYAR-ZDUSSCGKSA-N 1 2 375.226 2.080 20 0 GEADLO C[N@@H+]1CCN(C2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)C(=O)C1 ZINC000378560921 647884488 /nfs/dbraw/zinc/88/44/88/647884488.db2.gz GWZGJERMFXSKMV-UHFFFAOYSA-N 1 2 384.307 2.301 20 0 GEADLO C[N@H+]1CCN(C2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)C(=O)C1 ZINC000378560921 647884492 /nfs/dbraw/zinc/88/44/92/647884492.db2.gz GWZGJERMFXSKMV-UHFFFAOYSA-N 1 2 384.307 2.301 20 0 GEADLO CN1C[C@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)CC1=O ZINC000386153060 647889190 /nfs/dbraw/zinc/88/91/90/647889190.db2.gz PGAFIFZXYSAUTE-MRVPVSSYSA-N 1 2 378.064 2.238 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Cl)cc1Br ZINC000389897448 647892473 /nfs/dbraw/zinc/89/24/73/647892473.db2.gz QBSMBGYGQAGZFQ-LBPRGKRZSA-N 1 2 386.633 2.340 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Cl)cc1Br ZINC000389897448 647892477 /nfs/dbraw/zinc/89/24/77/647892477.db2.gz QBSMBGYGQAGZFQ-LBPRGKRZSA-N 1 2 386.633 2.340 20 0 GEADLO O=C1NC(=O)C2(CC[NH+](Cc3cc(Br)c(Cl)s3)CC2)N1 ZINC000408348596 647946720 /nfs/dbraw/zinc/94/67/20/647946720.db2.gz IMZVTIWLBNEGFN-UHFFFAOYSA-N 1 2 378.679 2.338 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H](CC(C)C)C(N)=O)[nH+]c12 ZINC000412249631 648046158 /nfs/dbraw/zinc/04/61/58/648046158.db2.gz JREYBVMXPCXZQS-AWEZNQCLSA-N 1 2 395.301 2.212 20 0 GEADLO CCNC(=O)C[NH+]1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000413046319 648058742 /nfs/dbraw/zinc/05/87/42/648058742.db2.gz NTCJEPYZEJZRJZ-UHFFFAOYSA-N 1 2 377.286 2.255 20 0 GEADLO CS(=O)(=O)c1cccnc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000413066386 648059740 /nfs/dbraw/zinc/05/97/40/648059740.db2.gz VPRRQRYSZIQAQH-ZDUSSCGKSA-N 1 2 379.507 2.114 20 0 GEADLO C[C@H](O)[C@H]1CCN(c2cc(N(C)Cc3cc(Br)cn3C)nc[nH+]2)C1 ZINC000413189899 648062693 /nfs/dbraw/zinc/06/26/93/648062693.db2.gz JGZCYBZZHQKUBG-STQMWFEESA-N 1 2 394.317 2.421 20 0 GEADLO C[C@H](O)[C@H]1CCN(c2cc(N(C)Cc3cc(Br)cn3C)[nH+]cn2)C1 ZINC000413189899 648062700 /nfs/dbraw/zinc/06/27/00/648062700.db2.gz JGZCYBZZHQKUBG-STQMWFEESA-N 1 2 394.317 2.421 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCc1ccccc1Br ZINC000413199140 648063246 /nfs/dbraw/zinc/06/32/46/648063246.db2.gz ITGJWDMZVJRTSU-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416493760 648147828 /nfs/dbraw/zinc/14/78/28/648147828.db2.gz IGWQZAWNVSEYNM-CQSZACIVSA-N 1 2 387.933 2.113 20 0 GEADLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416493760 648147831 /nfs/dbraw/zinc/14/78/31/648147831.db2.gz IGWQZAWNVSEYNM-CQSZACIVSA-N 1 2 387.933 2.113 20 0 GEADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000416659479 648204871 /nfs/dbraw/zinc/20/48/71/648204871.db2.gz HFDSLDXIJJMVDN-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000416659479 648204874 /nfs/dbraw/zinc/20/48/74/648204874.db2.gz HFDSLDXIJJMVDN-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO CC[C@H](C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1)OC ZINC000419242383 648342793 /nfs/dbraw/zinc/34/27/93/648342793.db2.gz SIJYYGXJOUMOFB-CQSZACIVSA-N 1 2 376.906 2.080 20 0 GEADLO CC(C)(CNC(=O)CN1CCc2c1cccc2Br)[NH+]1CCOCC1 ZINC000420974013 648460488 /nfs/dbraw/zinc/46/04/88/648460488.db2.gz NNTVNDRRZFDLHT-UHFFFAOYSA-N 1 2 396.329 2.039 20 0 GEADLO Cc1cc(CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)cc(C)[nH+]1 ZINC000422145452 648525854 /nfs/dbraw/zinc/52/58/54/648525854.db2.gz UMDVMQYZTBSIAO-UHFFFAOYSA-N 1 2 381.885 2.337 20 0 GEADLO Cc1cc(CNC(=O)C(=O)NCc2ccsc2Br)cc(C)[nH+]1 ZINC000422337408 648537943 /nfs/dbraw/zinc/53/79/43/648537943.db2.gz LBZFSQARJKRCJF-UHFFFAOYSA-N 1 2 382.283 2.455 20 0 GEADLO [NH3+][C@@H](C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1cscn1 ZINC000423209267 648587715 /nfs/dbraw/zinc/58/77/15/648587715.db2.gz ITSQFGDVOBNCTD-CYBMUJFWSA-N 1 2 375.845 2.288 20 0 GEADLO O=S(=O)(CCc1ccc(Cl)cc1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000425183042 648667851 /nfs/dbraw/zinc/66/78/51/648667851.db2.gz BBJPXELUGFGAQB-KRWDZBQOSA-N 1 2 386.945 2.257 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000425210264 648671254 /nfs/dbraw/zinc/67/12/54/648671254.db2.gz WDSYQPLLTKQISR-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)s1 ZINC000425436131 648677020 /nfs/dbraw/zinc/67/70/20/648677020.db2.gz VLNQUEWUDNLLOB-UHFFFAOYSA-N 1 2 376.569 2.096 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCSC3(CCOCC3)C2)s1 ZINC000425436131 648677022 /nfs/dbraw/zinc/67/70/22/648677022.db2.gz VLNQUEWUDNLLOB-UHFFFAOYSA-N 1 2 376.569 2.096 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)s1 ZINC000425464523 648678572 /nfs/dbraw/zinc/67/85/72/648678572.db2.gz ZMKWIELEMFCIIO-CYBMUJFWSA-N 1 2 386.461 2.278 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)s1 ZINC000425464523 648678576 /nfs/dbraw/zinc/67/85/76/648678576.db2.gz ZMKWIELEMFCIIO-CYBMUJFWSA-N 1 2 386.461 2.278 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2ccc(O)c(Br)c2)CCO1 ZINC000425949071 648701067 /nfs/dbraw/zinc/70/10/67/648701067.db2.gz GJRLVKMYXZKLEZ-ZDUSSCGKSA-N 1 2 386.290 2.065 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(O)c(Br)c2)CCO1 ZINC000425949071 648701070 /nfs/dbraw/zinc/70/10/70/648701070.db2.gz GJRLVKMYXZKLEZ-ZDUSSCGKSA-N 1 2 386.290 2.065 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000426181330 648706773 /nfs/dbraw/zinc/70/67/73/648706773.db2.gz ZJCZDNKYGZRYDR-SMDDNHRTSA-N 1 2 384.889 2.465 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000426181330 648706778 /nfs/dbraw/zinc/70/67/78/648706778.db2.gz ZJCZDNKYGZRYDR-SMDDNHRTSA-N 1 2 384.889 2.465 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H](CO)[C@@H]3C)[nH+]c12 ZINC000426190553 648707477 /nfs/dbraw/zinc/70/74/77/648707477.db2.gz GNQSTNKCGCMMOU-QWHCGFSZSA-N 1 2 395.301 2.360 20 0 GEADLO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000426796749 648714831 /nfs/dbraw/zinc/71/48/31/648714831.db2.gz BWASEUIJJPVDFV-HNNXBMFYSA-N 1 2 379.810 2.429 20 0 GEADLO Cc1nnc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)[nH]1 ZINC000428378397 648733665 /nfs/dbraw/zinc/73/36/65/648733665.db2.gz ZSYYSALDZDJAEF-UHFFFAOYSA-N 1 2 379.262 2.121 20 0 GEADLO C[C@H](Cn1cc(Br)ccc1=O)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000428473594 648734756 /nfs/dbraw/zinc/73/47/56/648734756.db2.gz NAYIGHKUGDUECA-CYBMUJFWSA-N 1 2 393.285 2.343 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428486670 648735733 /nfs/dbraw/zinc/73/57/33/648735733.db2.gz WREFGLDSQBKILC-ZFWWWQNUSA-N 1 2 395.301 2.185 20 0 GEADLO C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccc(Br)cc1OCCCO ZINC000428601522 648740705 /nfs/dbraw/zinc/74/07/05/648740705.db2.gz OEYGJTBDIIGMIG-LBPRGKRZSA-N 1 2 382.258 2.284 20 0 GEADLO C[N@@H+]1CCN(CCNC(=O)c2cc(F)cc(Br)c2O)CC1(C)C ZINC000443373227 648874688 /nfs/dbraw/zinc/87/46/88/648874688.db2.gz NTURGSTUDFHVFI-UHFFFAOYSA-N 1 2 388.281 2.050 20 0 GEADLO C[N@H+]1CCN(CCNC(=O)c2cc(F)cc(Br)c2O)CC1(C)C ZINC000443373227 648874693 /nfs/dbraw/zinc/87/46/93/648874693.db2.gz NTURGSTUDFHVFI-UHFFFAOYSA-N 1 2 388.281 2.050 20 0 GEADLO COc1ccc(Br)cc1C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000548351416 651077451 /nfs/dbraw/zinc/07/74/51/651077451.db2.gz RIYCUMSDSMALIY-KRWDZBQOSA-N 1 2 397.313 2.309 20 0 GEADLO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000548352406 651077462 /nfs/dbraw/zinc/07/74/62/651077462.db2.gz FBLQEHBKWSHZGA-MRXNPFEDSA-N 1 2 385.277 2.440 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cccc2c1OCO2)[N@@H+]1CCc2sccc2C1 ZINC000548975492 651089908 /nfs/dbraw/zinc/08/99/08/651089908.db2.gz WKENZYFGXATNSJ-GFCCVEGCSA-N 1 2 380.491 2.202 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cccc2c1OCO2)[N@H+]1CCc2sccc2C1 ZINC000548975492 651089911 /nfs/dbraw/zinc/08/99/11/651089911.db2.gz WKENZYFGXATNSJ-GFCCVEGCSA-N 1 2 380.491 2.202 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)Nc1cnn(-c2ccccn2)c(=O)c1Br ZINC000549109433 651092220 /nfs/dbraw/zinc/09/22/20/651092220.db2.gz RTYQQJOPBPIJNG-LLVKDONJSA-N 1 2 375.230 2.087 20 0 GEADLO CN(CC(=O)N1CCOCC1)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000549492253 651097600 /nfs/dbraw/zinc/09/76/00/651097600.db2.gz JABNDPVEZAYTQH-UHFFFAOYSA-N 1 2 382.233 2.431 20 0 GEADLO NC(=O)C[C@H]([NH2+]Cc1ncc(I)s1)c1ccccc1 ZINC000550295560 651109046 /nfs/dbraw/zinc/10/90/46/651109046.db2.gz YETZIOFIGRSJFC-JTQLQIEISA-N 1 2 387.246 2.454 20 0 GEADLO CCN1CCc2nc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)sc2C1 ZINC000551021599 651117265 /nfs/dbraw/zinc/11/72/65/651117265.db2.gz KTIFTPFDCBNLFY-UHFFFAOYSA-N 1 2 380.539 2.384 20 0 GEADLO CC(C)[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000551096455 651117975 /nfs/dbraw/zinc/11/79/75/651117975.db2.gz FTJAFDMXXAXNOQ-AWEZNQCLSA-N 1 2 381.325 2.317 20 0 GEADLO Cc1cc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)n(C)n1 ZINC000551517726 651127045 /nfs/dbraw/zinc/12/70/45/651127045.db2.gz RCHZMJCHSYRZQT-CQSZACIVSA-N 1 2 384.299 2.499 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cccc(F)c2Br)CC1 ZINC000551674312 651129575 /nfs/dbraw/zinc/12/95/75/651129575.db2.gz HCVQGFBEFKECGT-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCCOc1cccc(Br)c1 ZINC000552181496 651142483 /nfs/dbraw/zinc/14/24/83/651142483.db2.gz RGZXMTVTKXDWRO-AWEZNQCLSA-N 1 2 385.302 2.445 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)CCCOc1cccc(Br)c1 ZINC000552181496 651142485 /nfs/dbraw/zinc/14/24/85/651142485.db2.gz RGZXMTVTKXDWRO-AWEZNQCLSA-N 1 2 385.302 2.445 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cscc2Br)CC1 ZINC000552300154 651146123 /nfs/dbraw/zinc/14/61/23/651146123.db2.gz XEQBTXWEYUQKPC-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO CCCC(=O)NCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552807085 651158547 /nfs/dbraw/zinc/15/85/47/651158547.db2.gz UPFDZAARSFZDLK-UHFFFAOYSA-N 1 2 397.273 2.184 20 0 GEADLO COC(=O)[C@@H]1C[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552803145 651158594 /nfs/dbraw/zinc/15/85/94/651158594.db2.gz NSXGPWPJOXMAFF-QWHCGFSZSA-N 1 2 396.241 2.077 20 0 GEADLO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCc2c[nH+]cn2C1 ZINC000553052215 651163191 /nfs/dbraw/zinc/16/31/91/651163191.db2.gz JEPFTHQFFCJWNV-WCQYABFASA-N 1 2 384.263 2.308 20 0 GEADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCCn1cc(Br)cn1 ZINC000553586756 651182727 /nfs/dbraw/zinc/18/27/27/651182727.db2.gz MZLIBDCGICTCFC-UHFFFAOYSA-N 1 2 388.269 2.249 20 0 GEADLO CC[NH+]1CCN(S(=O)(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000553833901 651190013 /nfs/dbraw/zinc/19/00/13/651190013.db2.gz ARXGQKWXEOFRDJ-UHFFFAOYSA-N 1 2 384.299 2.324 20 0 GEADLO O=S(=O)(N[C@H]1CCn2cc[nH+]c2C1)c1c(F)cccc1OC(F)(F)F ZINC000553862437 651191364 /nfs/dbraw/zinc/19/13/64/651191364.db2.gz YTZFMDXNIMYBIH-VIFPVBQESA-N 1 2 379.335 2.214 20 0 GEADLO O=C(NCCC(=O)N1CCn2c[nH+]cc2C1)Nc1ccc(Br)cc1 ZINC000555167082 651219512 /nfs/dbraw/zinc/21/95/12/651219512.db2.gz UAVBMGOYLPLFJM-UHFFFAOYSA-N 1 2 392.257 2.200 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1cc(Br)cs1 ZINC000556724634 651250528 /nfs/dbraw/zinc/25/05/28/651250528.db2.gz FYEQVVBEPNZBII-UHFFFAOYSA-N 1 2 389.315 2.122 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)NCc2nc3c(cccc3Br)[nH]2)c1 ZINC000556766916 651251857 /nfs/dbraw/zinc/25/18/57/651251857.db2.gz WJFWQUWKZCAJHR-UHFFFAOYSA-N 1 2 377.246 2.101 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(F)cc1Br)C2 ZINC000556835457 651254640 /nfs/dbraw/zinc/25/46/40/651254640.db2.gz FGYSSXFMJNHDQM-GFCCVEGCSA-N 1 2 396.260 2.373 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1csc(Br)c1)C2 ZINC000556832916 651254779 /nfs/dbraw/zinc/25/47/79/651254779.db2.gz MZOJWJBXYHYTOC-NSHDSACASA-N 1 2 384.299 2.295 20 0 GEADLO CC(C)N1C[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1=O ZINC000558486097 651280540 /nfs/dbraw/zinc/28/05/40/651280540.db2.gz RDZGMUZHUQXZJC-GFCCVEGCSA-N 1 2 378.274 2.129 20 0 GEADLO CNC(=O)c1cccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1Br ZINC000558499146 651281097 /nfs/dbraw/zinc/28/10/97/651281097.db2.gz PTXKCBLPYNVVPQ-JTQLQIEISA-N 1 2 392.257 2.142 20 0 GEADLO O=C(c1cc2cc(Cl)sc2[nH]1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000558944339 651288635 /nfs/dbraw/zinc/28/86/35/651288635.db2.gz LSIDYSRZHMLSIT-CYBMUJFWSA-N 1 2 383.901 2.446 20 0 GEADLO O=c1c2sccc2nc(SCCCCO)n1CCC[NH+]1CCOCC1 ZINC000559982747 651302582 /nfs/dbraw/zinc/30/25/82/651302582.db2.gz NQUCOHSGGXYSOY-UHFFFAOYSA-N 1 2 383.539 2.045 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000560265263 651305789 /nfs/dbraw/zinc/30/57/89/651305789.db2.gz MLMRUGCEZAOWCG-GFCCVEGCSA-N 1 2 399.921 2.404 20 0 GEADLO C[C@H](Cc1ccsc1)NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000560312608 651306929 /nfs/dbraw/zinc/30/69/29/651306929.db2.gz GZFQRUFXUAUEDY-CYBMUJFWSA-N 1 2 377.535 2.031 20 0 GEADLO C[C@H](Cc1ccsc1)NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000560312608 651306931 /nfs/dbraw/zinc/30/69/31/651306931.db2.gz GZFQRUFXUAUEDY-CYBMUJFWSA-N 1 2 377.535 2.031 20 0 GEADLO Cc1cc(Br)oc1C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000560489975 651311374 /nfs/dbraw/zinc/31/13/74/651311374.db2.gz RTFNIKYZNIZJFF-LLVKDONJSA-N 1 2 382.258 2.135 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@H](C)C1 ZINC000561149047 651475508 /nfs/dbraw/zinc/47/55/08/651475508.db2.gz UEFZDIQOQRSDPH-LLVKDONJSA-N 1 2 378.270 2.457 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@H](C)C1 ZINC000561149047 651475509 /nfs/dbraw/zinc/47/55/09/651475509.db2.gz UEFZDIQOQRSDPH-LLVKDONJSA-N 1 2 378.270 2.457 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000643249481 651481690 /nfs/dbraw/zinc/48/16/90/651481690.db2.gz HKBAJEHDALSTCN-BJHJDKERSA-N 1 2 379.309 2.071 20 0 GEADLO C[C@@H](CO)[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CCCC1 ZINC000561893459 651484416 /nfs/dbraw/zinc/48/44/16/651484416.db2.gz MKMOTCZZLWSQBT-LBPRGKRZSA-N 1 2 388.917 2.307 20 0 GEADLO C[C@@H](CO)[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CCCC1 ZINC000561893459 651484420 /nfs/dbraw/zinc/48/44/20/651484420.db2.gz MKMOTCZZLWSQBT-LBPRGKRZSA-N 1 2 388.917 2.307 20 0 GEADLO Cc1onc(N)c1S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000561989306 651486265 /nfs/dbraw/zinc/48/62/65/651486265.db2.gz FYLYWDAUANOKDB-AWEZNQCLSA-N 1 2 384.889 2.334 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)c1ncc(I)s1 ZINC000603428879 651490412 /nfs/dbraw/zinc/49/04/12/651490412.db2.gz XTXJHEIPHCWLBH-UHFFFAOYSA-N 1 2 376.223 2.154 20 0 GEADLO O=C(c1ncc(I)s1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000603438062 651493580 /nfs/dbraw/zinc/49/35/80/651493580.db2.gz WYMRHPKIUXATCU-UHFFFAOYSA-N 1 2 388.234 2.491 20 0 GEADLO O=C(c1ncc(I)s1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000603438062 651493584 /nfs/dbraw/zinc/49/35/84/651493584.db2.gz WYMRHPKIUXATCU-UHFFFAOYSA-N 1 2 388.234 2.491 20 0 GEADLO COc1ccc(NC(=S)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1F ZINC000726477653 651494976 /nfs/dbraw/zinc/49/49/76/651494976.db2.gz UCVNSKXNXQTIPR-KRWDZBQOSA-N 1 2 385.530 2.329 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CCO1 ZINC000562574142 651497066 /nfs/dbraw/zinc/49/70/66/651497066.db2.gz JDGHOKVPDHREAD-LLVKDONJSA-N 1 2 382.814 2.091 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CCO1 ZINC000562574142 651497071 /nfs/dbraw/zinc/49/70/71/651497071.db2.gz JDGHOKVPDHREAD-LLVKDONJSA-N 1 2 382.814 2.091 20 0 GEADLO CC[N@@H+](Cc1cccc(Br)c1)CN1C(=O)NC2(CCOCC2)C1=O ZINC000727821956 651530011 /nfs/dbraw/zinc/53/00/11/651530011.db2.gz BIWVSFQIWVAQPT-UHFFFAOYSA-N 1 2 396.285 2.330 20 0 GEADLO CC[N@H+](Cc1cccc(Br)c1)CN1C(=O)NC2(CCOCC2)C1=O ZINC000727821956 651530018 /nfs/dbraw/zinc/53/00/18/651530018.db2.gz BIWVSFQIWVAQPT-UHFFFAOYSA-N 1 2 396.285 2.330 20 0 GEADLO CC(C)Cc1ncnc(N2CCn3c[nH+]cc3C2)c1I ZINC000563661983 651535838 /nfs/dbraw/zinc/53/58/38/651535838.db2.gz PBXOIKLBBRVXAF-UHFFFAOYSA-N 1 2 383.237 2.496 20 0 GEADLO C[C@@H](CC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000563959221 651547996 /nfs/dbraw/zinc/54/79/96/651547996.db2.gz GJKGFQFYYWUREP-BLLLJJGKSA-N 1 2 391.269 2.296 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000566224566 651604650 /nfs/dbraw/zinc/60/46/50/651604650.db2.gz SMIHNEQMIQCVSM-GFCCVEGCSA-N 1 2 385.686 2.425 20 0 GEADLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)CCCC2CCOCC2)C[C@@H](C)O1 ZINC000645449452 651605808 /nfs/dbraw/zinc/60/58/08/651605808.db2.gz JSNFSLWOJAWJRI-HZPDHXFCSA-N 1 2 376.563 2.000 20 0 GEADLO NC(=O)C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1CCCC1 ZINC000608756528 651606480 /nfs/dbraw/zinc/60/64/80/651606480.db2.gz JLIITYOTUYFBEC-UHFFFAOYSA-N 1 2 390.228 2.396 20 0 GEADLO NC(=O)C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1CCCC1 ZINC000608756528 651606484 /nfs/dbraw/zinc/60/64/84/651606484.db2.gz JLIITYOTUYFBEC-UHFFFAOYSA-N 1 2 390.228 2.396 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NS(=O)(=O)CCc2ccc(Cl)cc2)CCO1 ZINC000566791343 651613213 /nfs/dbraw/zinc/61/32/13/651613213.db2.gz YOMUISHRTPLTQR-RDJZCZTQSA-N 1 2 383.901 2.456 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1sccc1Br)C2 ZINC000567599647 651628642 /nfs/dbraw/zinc/62/86/42/651628642.db2.gz NXXTYMDGANQENE-SNVBAGLBSA-N 1 2 384.299 2.295 20 0 GEADLO CCCC[C@H]1NC(=O)N(C[NH+]2CCC(n3cc(Br)cn3)CC2)C1=O ZINC000731661721 651630523 /nfs/dbraw/zinc/63/05/23/651630523.db2.gz ASGDPYXZKXPJDY-CQSZACIVSA-N 1 2 398.305 2.351 20 0 GEADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(CCO)Cc1ccc(Br)s1 ZINC000567975919 651642815 /nfs/dbraw/zinc/64/28/15/651642815.db2.gz DBUWUGCLVGACIP-LLVKDONJSA-N 1 2 384.299 2.291 20 0 GEADLO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CC[S@]1=O ZINC000610081535 651644353 /nfs/dbraw/zinc/64/43/53/651644353.db2.gz FFBKSTUSCSECIS-CHNSCGDPSA-N 1 2 377.279 2.370 20 0 GEADLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)CC[S@]1=O ZINC000610081535 651644355 /nfs/dbraw/zinc/64/43/55/651644355.db2.gz FFBKSTUSCSECIS-CHNSCGDPSA-N 1 2 377.279 2.370 20 0 GEADLO O=C(NC[C@H]1CC1(Cl)Cl)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732443340 651657874 /nfs/dbraw/zinc/65/78/74/651657874.db2.gz WYUVTDOFDFJUEF-HZPDHXFCSA-N 1 2 386.323 2.423 20 0 GEADLO COCC(=O)NC1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000610367633 651657937 /nfs/dbraw/zinc/65/79/37/651657937.db2.gz JZYPJHNQUSVXTB-UHFFFAOYSA-N 1 2 388.249 2.018 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000732464486 651658380 /nfs/dbraw/zinc/65/83/80/651658380.db2.gz CFIPKJCXJPEQKY-NHYWBVRUSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000732464486 651658386 /nfs/dbraw/zinc/65/83/86/651658386.db2.gz CFIPKJCXJPEQKY-NHYWBVRUSA-N 1 2 376.284 2.047 20 0 GEADLO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000646022973 651674981 /nfs/dbraw/zinc/67/49/81/651674981.db2.gz IDDWOWXNAVTXAQ-OAHLLOKOSA-N 1 2 391.693 2.337 20 0 GEADLO O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000646392580 651693184 /nfs/dbraw/zinc/69/31/84/651693184.db2.gz ZTMVMLBWPBLJGR-LBPRGKRZSA-N 1 2 380.495 2.415 20 0 GEADLO O=C(c1c(O)cc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000569322618 651705590 /nfs/dbraw/zinc/70/55/90/651705590.db2.gz YTFOQJTWCJHTTK-LBPRGKRZSA-N 1 2 386.279 2.126 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000569463508 651715937 /nfs/dbraw/zinc/71/59/37/651715937.db2.gz OOMUCDPPAIDIBK-SNVBAGLBSA-N 1 2 397.239 2.463 20 0 GEADLO Cn1ncc(Br)c1C[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000569463508 651715941 /nfs/dbraw/zinc/71/59/41/651715941.db2.gz OOMUCDPPAIDIBK-SNVBAGLBSA-N 1 2 397.239 2.463 20 0 GEADLO CCOc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cn1 ZINC000647289506 651741638 /nfs/dbraw/zinc/74/16/38/651741638.db2.gz XONQMWPTYAREHW-INIZCTEOSA-N 1 2 381.885 2.469 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000647312360 651743531 /nfs/dbraw/zinc/74/35/31/651743531.db2.gz OVZVYFDKRIDIHW-CQSZACIVSA-N 1 2 395.294 2.088 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cs1 ZINC000647691992 651754961 /nfs/dbraw/zinc/75/49/61/651754961.db2.gz FBEQDIICSLMQDA-UHFFFAOYSA-N 1 2 399.563 2.386 20 0 GEADLO C[NH+](C)[C@@H](C(=O)N1CSC[C@@H]1C(=O)NCC1CC1)c1ccc(Cl)cc1 ZINC000570736839 651787893 /nfs/dbraw/zinc/78/78/93/651787893.db2.gz OKDPCPXSRRRTDN-HZPDHXFCSA-N 1 2 381.929 2.370 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc(Br)cc2c1OCCO2 ZINC000613675613 651791909 /nfs/dbraw/zinc/79/19/09/651791909.db2.gz OFIMTWUBWDKCLH-LLVKDONJSA-N 1 2 378.226 2.162 20 0 GEADLO CC(C)(C)N1CC[C@H]([NH2+]Cc2ncc(I)s2)C1=O ZINC000570964395 651802712 /nfs/dbraw/zinc/80/27/12/651802712.db2.gz MIJNNEXZCSBPCZ-QMMMGPOBSA-N 1 2 379.267 2.237 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)C[C@H](C)COC)CC2)cs1 ZINC000570973920 651803377 /nfs/dbraw/zinc/80/33/77/651803377.db2.gz DYKDBIVQLASABG-CQSZACIVSA-N 1 2 389.587 2.119 20 0 GEADLO COC(=O)C(C)(C)CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000571241716 651820159 /nfs/dbraw/zinc/82/01/59/651820159.db2.gz ZJBYYBIKQQNOMA-HUUCEWRRSA-N 1 2 388.917 2.204 20 0 GEADLO COC(=O)C(C)(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000571241716 651820162 /nfs/dbraw/zinc/82/01/62/651820162.db2.gz ZJBYYBIKQQNOMA-HUUCEWRRSA-N 1 2 388.917 2.204 20 0 GEADLO Cc1nnc([C@@H]2CC[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)[nH]1 ZINC000571292222 651823534 /nfs/dbraw/zinc/82/35/34/651823534.db2.gz SBHOBLPQSBMHNL-IUODEOHRSA-N 1 2 390.285 2.470 20 0 GEADLO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)n1 ZINC000571292222 651823537 /nfs/dbraw/zinc/82/35/37/651823537.db2.gz SBHOBLPQSBMHNL-IUODEOHRSA-N 1 2 390.285 2.470 20 0 GEADLO Cc1n[nH]c([C@@H]2CC[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)n1 ZINC000571292222 651823543 /nfs/dbraw/zinc/82/35/43/651823543.db2.gz SBHOBLPQSBMHNL-IUODEOHRSA-N 1 2 390.285 2.470 20 0 GEADLO C[C@@H]1[C@@H](C)[S@@](=O)CCN1CCCCCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000736628843 651829162 /nfs/dbraw/zinc/82/91/62/651829162.db2.gz KUHCYUPNKYHSHN-USCLWYGUSA-N 1 2 376.632 2.229 20 0 GEADLO C[C@@H]1[C@@H](C)[S@@](=O)CCN1CCCCCC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000736628843 651829166 /nfs/dbraw/zinc/82/91/66/651829166.db2.gz KUHCYUPNKYHSHN-USCLWYGUSA-N 1 2 376.632 2.229 20 0 GEADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCCCCCN1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000736628843 651829169 /nfs/dbraw/zinc/82/91/69/651829169.db2.gz KUHCYUPNKYHSHN-USCLWYGUSA-N 1 2 376.632 2.229 20 0 GEADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCCCCCN1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000736628843 651829172 /nfs/dbraw/zinc/82/91/72/651829172.db2.gz KUHCYUPNKYHSHN-USCLWYGUSA-N 1 2 376.632 2.229 20 0 GEADLO C[C@@H](C(=O)N(CCn1cc[nH+]c1)C1CCSCC1)N(C)CC(F)(F)F ZINC000614672199 651832085 /nfs/dbraw/zinc/83/20/85/651832085.db2.gz PLAMSUCQIQISBV-ZDUSSCGKSA-N 1 2 378.464 2.490 20 0 GEADLO C[C@@H](CC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1)n1cc[nH+]c1 ZINC000649880883 651835936 /nfs/dbraw/zinc/83/59/36/651835936.db2.gz PCZXNZVGWZXQRJ-BLLLJJGKSA-N 1 2 391.269 2.296 20 0 GEADLO OCCNc1nc(NCc2cc(Br)ccc2F)[nH+]c2ccccc21 ZINC000571503866 651836651 /nfs/dbraw/zinc/83/66/51/651836651.db2.gz BSMFOSRXRNLLTF-UHFFFAOYSA-N 1 2 391.244 2.392 20 0 GEADLO COc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(Br)c1 ZINC000571515108 651836918 /nfs/dbraw/zinc/83/69/18/651836918.db2.gz CVQUUKDHSOQVMU-BETUJISGSA-N 1 2 384.274 2.442 20 0 GEADLO COc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(Br)c1 ZINC000571515108 651836924 /nfs/dbraw/zinc/83/69/24/651836924.db2.gz CVQUUKDHSOQVMU-BETUJISGSA-N 1 2 384.274 2.442 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1cnc2c(Br)cccn12 ZINC000571791558 651854536 /nfs/dbraw/zinc/85/45/36/651854536.db2.gz BJAFQARPPAPQJK-TXEJJXNPSA-N 1 2 394.273 2.082 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1cnc2c(Br)cccn12 ZINC000571791558 651854539 /nfs/dbraw/zinc/85/45/39/651854539.db2.gz BJAFQARPPAPQJK-TXEJJXNPSA-N 1 2 394.273 2.082 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651261292 651877463 /nfs/dbraw/zinc/87/74/63/651877463.db2.gz XOHJEQNYECMNAT-OCCSQVGLSA-N 1 2 383.286 2.152 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651261292 651877464 /nfs/dbraw/zinc/87/74/64/651877464.db2.gz XOHJEQNYECMNAT-OCCSQVGLSA-N 1 2 383.286 2.152 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651261293 651877696 /nfs/dbraw/zinc/87/76/96/651877696.db2.gz XOHJEQNYECMNAT-TZMCWYRMSA-N 1 2 383.286 2.152 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651261293 651877697 /nfs/dbraw/zinc/87/76/97/651877697.db2.gz XOHJEQNYECMNAT-TZMCWYRMSA-N 1 2 383.286 2.152 20 0 GEADLO C[C@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CCCO1 ZINC000738161028 651882821 /nfs/dbraw/zinc/88/28/21/651882821.db2.gz KYZIFBFVSMYEGN-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CCCO1 ZINC000738161028 651882827 /nfs/dbraw/zinc/88/28/27/651882827.db2.gz KYZIFBFVSMYEGN-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO CC[NH+](CC)[C@H](CNS(=O)(=O)N1CCCOCC1)c1ccccc1Cl ZINC000651503202 651884099 /nfs/dbraw/zinc/88/40/99/651884099.db2.gz QFYXVFOZBUCVIX-QGZVFWFLSA-N 1 2 389.949 2.280 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H](CO)c1ccc(Br)cc1 ZINC000651641291 651892491 /nfs/dbraw/zinc/89/24/91/651892491.db2.gz MABWGBJDLLCLQV-HNNXBMFYSA-N 1 2 378.270 2.374 20 0 GEADLO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882111 651898086 /nfs/dbraw/zinc/89/80/86/651898086.db2.gz BRMLMFZKIXDUHV-CYBMUJFWSA-N 1 2 386.926 2.303 20 0 GEADLO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882111 651898092 /nfs/dbraw/zinc/89/80/92/651898092.db2.gz BRMLMFZKIXDUHV-CYBMUJFWSA-N 1 2 386.926 2.303 20 0 GEADLO CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000572562301 651899497 /nfs/dbraw/zinc/89/94/97/651899497.db2.gz FOQFWFFTVZQDLA-NSHDSACASA-N 1 2 381.263 2.280 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)cc(COC)c2)C(C)(C)C1 ZINC000651900062 651899923 /nfs/dbraw/zinc/89/99/23/651899923.db2.gz AMWWCESFEGKXMY-UHFFFAOYSA-N 1 2 390.933 2.218 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)cc(COC)c2)C(C)(C)C1 ZINC000651900062 651899925 /nfs/dbraw/zinc/89/99/25/651899925.db2.gz AMWWCESFEGKXMY-UHFFFAOYSA-N 1 2 390.933 2.218 20 0 GEADLO C[C@H](C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000652747254 651922583 /nfs/dbraw/zinc/92/25/83/651922583.db2.gz QSSSKOHGWLYXLH-CQSZACIVSA-N 1 2 385.339 2.278 20 0 GEADLO C[C@H](CC(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O)n1cc[nH+]c1 ZINC000572966787 651926189 /nfs/dbraw/zinc/92/61/89/651926189.db2.gz HKZQZIHJKWAGSS-RISCZKNCSA-N 1 2 377.242 2.128 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573018007 651929191 /nfs/dbraw/zinc/92/91/91/651929191.db2.gz WXJDGOBCMSYLPD-LLVKDONJSA-N 1 2 379.258 2.414 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573018007 651929198 /nfs/dbraw/zinc/92/91/98/651929198.db2.gz WXJDGOBCMSYLPD-LLVKDONJSA-N 1 2 379.258 2.414 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000653001756 651931872 /nfs/dbraw/zinc/93/18/72/651931872.db2.gz CPCCSBIICXNXCV-UHFFFAOYSA-N 1 2 399.329 2.189 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cc(Br)ccc2C)CC1 ZINC000653000119 651932175 /nfs/dbraw/zinc/93/21/75/651932175.db2.gz VBCVGGCFPWGEIX-UHFFFAOYSA-N 1 2 385.302 2.178 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2c3ccc(Br)cc3nn2C)[C@@H](C)CO1 ZINC000617721395 651966499 /nfs/dbraw/zinc/96/64/99/651966499.db2.gz OVVGYHPJYQCLAI-NWDGAFQWSA-N 1 2 395.301 2.175 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2c3ccc(Br)cc3nn2C)[C@@H](C)CO1 ZINC000617721395 651966503 /nfs/dbraw/zinc/96/65/03/651966503.db2.gz OVVGYHPJYQCLAI-NWDGAFQWSA-N 1 2 395.301 2.175 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617723683 651966748 /nfs/dbraw/zinc/96/67/48/651966748.db2.gz PWZLTHVJTPDFNS-MJBXVCDLSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617723683 651966758 /nfs/dbraw/zinc/96/67/58/651966758.db2.gz PWZLTHVJTPDFNS-MJBXVCDLSA-N 1 2 385.302 2.442 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617723992 651966814 /nfs/dbraw/zinc/96/68/14/651966814.db2.gz UKMNMZJBFNKBTR-ZJUUUORDSA-N 1 2 382.814 2.089 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617723992 651966825 /nfs/dbraw/zinc/96/68/25/651966825.db2.gz UKMNMZJBFNKBTR-ZJUUUORDSA-N 1 2 382.814 2.089 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000617736035 651968989 /nfs/dbraw/zinc/96/89/89/651968989.db2.gz VWOXQJXDHHSLAZ-NEPJUHHUSA-N 1 2 385.295 2.409 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000617736035 651968994 /nfs/dbraw/zinc/96/89/94/651968994.db2.gz VWOXQJXDHHSLAZ-NEPJUHHUSA-N 1 2 385.295 2.409 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000618180611 651993867 /nfs/dbraw/zinc/99/38/67/651993867.db2.gz GVKCNOVOTLJCMO-UHFFFAOYSA-N 1 2 377.286 2.464 20 0 GEADLO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC1SC(=N)NC1=O ZINC000742605178 651994010 /nfs/dbraw/zinc/99/40/10/651994010.db2.gz QCRHDBBXHJRSOI-CQSZACIVSA-N 1 2 378.523 2.039 20 0 GEADLO CC(C)(C(=O)N1CCN(c2ccc(Br)cc2)CC1)[NH+]1CCOCC1 ZINC000618180935 651994617 /nfs/dbraw/zinc/99/46/17/651994617.db2.gz STVBITBNCOXQJA-UHFFFAOYSA-N 1 2 396.329 2.209 20 0 GEADLO O=S(=O)(NCC[NH2+]Cc1cc2n(n1)CCCC2)c1ccc(Cl)cc1F ZINC000655769697 652011025 /nfs/dbraw/zinc/01/10/25/652011025.db2.gz MMRFCTBKVCVWTR-UHFFFAOYSA-N 1 2 386.880 2.080 20 0 GEADLO CN(CC[NH+]1CCOCC1)c1ncnc2cccc(I)c21 ZINC000574332954 652016801 /nfs/dbraw/zinc/01/68/01/652016801.db2.gz FORFMODPRPOJGV-UHFFFAOYSA-N 1 2 398.248 2.003 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cscn1 ZINC000656681233 652045449 /nfs/dbraw/zinc/04/54/49/652045449.db2.gz CDDVRPUWBLOTFZ-NEPJUHHUSA-N 1 2 382.511 2.071 20 0 GEADLO C[C@H]1CC[N@H+](CC(=O)Nc2cc(S(=O)(=O)NC3CC3)c(Cl)cc2F)C1 ZINC000574926239 652052451 /nfs/dbraw/zinc/05/24/51/652052451.db2.gz XTIAJDZWNDYDHH-JTQLQIEISA-N 1 2 389.880 2.200 20 0 GEADLO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(S(=O)(=O)NC3CC3)c(Cl)cc2F)C1 ZINC000574926239 652052453 /nfs/dbraw/zinc/05/24/53/652052453.db2.gz XTIAJDZWNDYDHH-JTQLQIEISA-N 1 2 389.880 2.200 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[NH+](Cc2ccsc2)CC1 ZINC000575123858 652063486 /nfs/dbraw/zinc/06/34/86/652063486.db2.gz IAQFWTNWUNTNQK-UHFFFAOYSA-N 1 2 396.310 2.498 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745085362 652068293 /nfs/dbraw/zinc/06/82/93/652068293.db2.gz MWCKWZJXBOQBID-ZDUSSCGKSA-N 1 2 389.315 2.497 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745085362 652068299 /nfs/dbraw/zinc/06/82/99/652068299.db2.gz MWCKWZJXBOQBID-ZDUSSCGKSA-N 1 2 389.315 2.497 20 0 GEADLO Cc1nc(N2CCN(S(=O)(=O)Cc3cc(F)ccc3Cl)CC2)cc[nH+]1 ZINC000656959684 652074801 /nfs/dbraw/zinc/07/48/01/652074801.db2.gz VZTZYXSQNQHTOC-UHFFFAOYSA-N 1 2 384.864 2.230 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1cc(Cl)cc(Br)c1 ZINC000656968516 652078009 /nfs/dbraw/zinc/07/80/09/652078009.db2.gz UJLFIFCWLZMKAB-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1cc(Cl)cc(Br)c1 ZINC000656968516 652078011 /nfs/dbraw/zinc/07/80/11/652078011.db2.gz UJLFIFCWLZMKAB-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c(Cl)c1 ZINC000575831191 652080805 /nfs/dbraw/zinc/08/08/05/652080805.db2.gz ILQYTSSJSJXESE-XHDPSFHLSA-N 1 2 385.873 2.281 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)c1ncccc1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000575969552 652088210 /nfs/dbraw/zinc/08/82/10/652088210.db2.gz XBPHPAIFRJMKCH-CQSZACIVSA-N 1 2 381.885 2.171 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)n1 ZINC000746152698 652096853 /nfs/dbraw/zinc/09/68/53/652096853.db2.gz QADBVJNJLCNSOM-UHFFFAOYSA-N 1 2 382.511 2.193 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000576620599 652131962 /nfs/dbraw/zinc/13/19/62/652131962.db2.gz RXRLCRYQIQQAOT-UHFFFAOYSA-N 1 2 376.218 2.085 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(OC)ncc2Br)C1 ZINC000621312407 652148273 /nfs/dbraw/zinc/14/82/73/652148273.db2.gz UDJWXKLQHRDWNK-CYBMUJFWSA-N 1 2 396.207 2.353 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(OC)ncc2Br)C1 ZINC000621312407 652148276 /nfs/dbraw/zinc/14/82/76/652148276.db2.gz UDJWXKLQHRDWNK-CYBMUJFWSA-N 1 2 396.207 2.353 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)c1cc(Br)cc2c1OCCO2 ZINC000621424063 652154307 /nfs/dbraw/zinc/15/43/07/652154307.db2.gz KZKPMCCFHFOQOP-UHFFFAOYSA-N 1 2 378.226 2.457 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000576920795 652154348 /nfs/dbraw/zinc/15/43/48/652154348.db2.gz MVOPCDVYGLJUJE-VVLHAWIVSA-N 1 2 394.313 2.467 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000576920795 652154352 /nfs/dbraw/zinc/15/43/52/652154352.db2.gz MVOPCDVYGLJUJE-VVLHAWIVSA-N 1 2 394.313 2.467 20 0 GEADLO CCC(CC)[C@@H](CNC(=O)CSc1n[nH]c(=S)s1)[NH+]1CCOCC1 ZINC000747358690 652159428 /nfs/dbraw/zinc/15/94/28/652159428.db2.gz CNWAIYPSXZJCNB-GFCCVEGCSA-N 1 2 390.600 2.172 20 0 GEADLO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2nnn(C(C)(C)C)n2)cc1Br ZINC000657484816 652166533 /nfs/dbraw/zinc/16/65/33/652166533.db2.gz UZPONTHPDTVFKX-CQSZACIVSA-N 1 2 396.333 2.440 20 0 GEADLO COC(=O)c1occc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000577247027 652173064 /nfs/dbraw/zinc/17/30/64/652173064.db2.gz CTVKXXOFNSSHLC-UHFFFAOYSA-N 1 2 386.857 2.096 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CO[C@@H](C)C3)[nH+]c12 ZINC000577844353 652220974 /nfs/dbraw/zinc/22/09/74/652220974.db2.gz NXCIYCMESHHRKR-SMDDNHRTSA-N 1 2 381.274 2.424 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000577864507 652223967 /nfs/dbraw/zinc/22/39/67/652223967.db2.gz NJYDSQOQVKKERZ-VXGBXAGGSA-N 1 2 398.276 2.457 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000577864507 652223980 /nfs/dbraw/zinc/22/39/80/652223980.db2.gz NJYDSQOQVKKERZ-VXGBXAGGSA-N 1 2 398.276 2.457 20 0 GEADLO CN(CC(=O)Nc1ccn2cc[nH+]c2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000577879065 652226013 /nfs/dbraw/zinc/22/60/13/652226013.db2.gz IVLYXRXIFIVDBN-UHFFFAOYSA-N 1 2 378.841 2.247 20 0 GEADLO CC[N@H+](CCC(F)(F)F)CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000623121829 652227057 /nfs/dbraw/zinc/22/70/57/652227057.db2.gz OBUAVWADRBCFOL-UHFFFAOYSA-N 1 2 377.432 2.307 20 0 GEADLO CC[N@@H+](CCC(F)(F)F)CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000623121829 652227068 /nfs/dbraw/zinc/22/70/68/652227068.db2.gz OBUAVWADRBCFOL-UHFFFAOYSA-N 1 2 377.432 2.307 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000623255271 652229227 /nfs/dbraw/zinc/22/92/27/652229227.db2.gz YSEZJMORXRVIIW-DGCLKSJQSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000623255271 652229233 /nfs/dbraw/zinc/22/92/33/652229233.db2.gz YSEZJMORXRVIIW-DGCLKSJQSA-N 1 2 376.266 2.359 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ncc(Br)cc1Br ZINC000623261825 652230120 /nfs/dbraw/zinc/23/01/20/652230120.db2.gz CJPBFWZJIBMFRW-MRVPVSSYSA-N 1 2 386.047 2.158 20 0 GEADLO CCOc1c(Br)cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1OC ZINC000623281341 652230909 /nfs/dbraw/zinc/23/09/09/652230909.db2.gz SLRRIWOOIYBYKK-NSHDSACASA-N 1 2 380.242 2.408 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1c(F)ccc(F)c1Cl)NC[C@@H]1CCCCO1 ZINC000623413889 652235987 /nfs/dbraw/zinc/23/59/87/652235987.db2.gz LGAZXWIRVLATNE-NSHDSACASA-N 1 2 382.860 2.196 20 0 GEADLO C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C[C@H](C)S1(=O)=O ZINC000578106941 652243763 /nfs/dbraw/zinc/24/37/63/652243763.db2.gz XKGVJUMMAMYQPR-ZENOOKHLSA-N 1 2 387.933 2.160 20 0 GEADLO C[C@@H]1CN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C[C@H](C)S1(=O)=O ZINC000578106938 652243843 /nfs/dbraw/zinc/24/38/43/652243843.db2.gz XKGVJUMMAMYQPR-DVOMOZLQSA-N 1 2 387.933 2.160 20 0 GEADLO Cc1cc(S(=O)(=O)NCCc2c[nH+]cn2C)c(F)cc1Br ZINC000578303597 652260756 /nfs/dbraw/zinc/26/07/56/652260756.db2.gz UQFRHISJSASZLR-UHFFFAOYSA-N 1 2 376.251 2.151 20 0 GEADLO COC(=O)c1cc(NC(=O)NCc2ccc(N)[nH+]c2)ccc1Br ZINC000578553046 652277186 /nfs/dbraw/zinc/27/71/86/652277186.db2.gz JBGAOABELSVNRQ-UHFFFAOYSA-N 1 2 379.214 2.535 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000750621443 652301715 /nfs/dbraw/zinc/30/17/15/652301715.db2.gz GHJAMFWXRBSMNN-SSINHNECSA-N 1 2 379.404 2.156 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000579014108 652311586 /nfs/dbraw/zinc/31/15/86/652311586.db2.gz NVSITVVHYYHXHI-CYBMUJFWSA-N 1 2 386.823 2.267 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000579014108 652311592 /nfs/dbraw/zinc/31/15/92/652311592.db2.gz NVSITVVHYYHXHI-CYBMUJFWSA-N 1 2 386.823 2.267 20 0 GEADLO O=c1[nH]c(Cc2noc(Cn3cc[nH+]c3)n2)nc2ccc(Br)cc12 ZINC000579064939 652314163 /nfs/dbraw/zinc/31/41/63/652314163.db2.gz ONKLZOHWDGHNFI-UHFFFAOYSA-N 1 2 387.197 2.317 20 0 GEADLO C[C@@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)[C@H]1OCCc2sccc21 ZINC000579189356 652323188 /nfs/dbraw/zinc/32/31/88/652323188.db2.gz DICRUFPSBJYYRF-PIGZYNQJSA-N 1 2 377.491 2.362 20 0 GEADLO NS(=O)(=O)c1ccc(N2CC[NH+](Cc3cc(O)ccc3Cl)CC2)cc1 ZINC000625075372 652324184 /nfs/dbraw/zinc/32/41/84/652324184.db2.gz CTTSTTFEQPNVGU-UHFFFAOYSA-N 1 2 381.885 2.015 20 0 GEADLO Cn1cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(-c2ccc(Cl)s2)n1 ZINC000579560463 652343732 /nfs/dbraw/zinc/34/37/32/652343732.db2.gz JTEWDRZHOQITOF-TXEJJXNPSA-N 1 2 380.901 2.395 20 0 GEADLO Cn1cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(-c2ccc(Cl)s2)n1 ZINC000579560463 652343736 /nfs/dbraw/zinc/34/37/36/652343736.db2.gz JTEWDRZHOQITOF-TXEJJXNPSA-N 1 2 380.901 2.395 20 0 GEADLO Brc1cc2c(cc1CN1CC[NH+](Cc3cn[nH]c3)CC1)OCCO2 ZINC000625478239 652348625 /nfs/dbraw/zinc/34/86/25/652348625.db2.gz DKMYHHGHEYVEFC-UHFFFAOYSA-N 1 2 393.285 2.261 20 0 GEADLO CC[C@H](NC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl)C(=O)N1CCOCC1 ZINC000659250599 652350498 /nfs/dbraw/zinc/35/04/98/652350498.db2.gz MGKJMIPXRLPTEE-ZFWWWQNUSA-N 1 2 388.295 2.008 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c(Br)c1 ZINC000579763827 652352766 /nfs/dbraw/zinc/35/27/66/652352766.db2.gz KXUMFGKPDWYCSL-CQSZACIVSA-N 1 2 391.331 2.360 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c(Br)c1 ZINC000579763827 652352770 /nfs/dbraw/zinc/35/27/70/652352770.db2.gz KXUMFGKPDWYCSL-CQSZACIVSA-N 1 2 391.331 2.360 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2ccsc2Br)CCO1 ZINC000579855878 652358088 /nfs/dbraw/zinc/35/80/88/652358088.db2.gz IBTBKJUYQXHSOR-GFCCVEGCSA-N 1 2 376.320 2.421 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2ccsc2Br)CCO1 ZINC000579855878 652358099 /nfs/dbraw/zinc/35/80/99/652358099.db2.gz IBTBKJUYQXHSOR-GFCCVEGCSA-N 1 2 376.320 2.421 20 0 GEADLO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000625583890 652358988 /nfs/dbraw/zinc/35/89/88/652358988.db2.gz YKHPSLAYOZAKNH-AWEZNQCLSA-N 1 2 378.416 2.047 20 0 GEADLO Brc1nc(Br)n(CN2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000751594711 652360896 /nfs/dbraw/zinc/36/08/96/652360896.db2.gz NBNXLEYAZCRXFR-VIFPVBQESA-N 1 2 390.083 2.294 20 0 GEADLO O=S(=O)(Cc1c(F)cccc1Cl)N1CCC([NH+]2CCOCC2)CC1 ZINC000625607147 652360918 /nfs/dbraw/zinc/36/09/18/652360918.db2.gz OELYIYKSUMNYCJ-UHFFFAOYSA-N 1 2 376.881 2.106 20 0 GEADLO Nc1nc(NC[C@@H](CO)Cc2ccc(Br)cc2)[nH+]c2ccccc12 ZINC000580060781 652365376 /nfs/dbraw/zinc/36/53/76/652365376.db2.gz ROSWXGLMXJCTBP-ZDUSSCGKSA-N 1 2 387.281 2.660 20 0 GEADLO O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000659827982 652367129 /nfs/dbraw/zinc/36/71/29/652367129.db2.gz ZXYNXAYHZIVOCX-FVQBIDKESA-N 1 2 393.329 2.413 20 0 GEADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2coc(S(N)(=O)=O)c2)CC1 ZINC000659826505 652367243 /nfs/dbraw/zinc/36/72/43/652367243.db2.gz MIXMDGLGXBWMTA-CYBMUJFWSA-N 1 2 383.901 2.459 20 0 GEADLO C[N@H+](Cc1coc(S(N)(=O)=O)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000659854634 652368073 /nfs/dbraw/zinc/36/80/73/652368073.db2.gz XKVHHGHUSZNIIR-ZFWWWQNUSA-N 1 2 391.276 2.324 20 0 GEADLO C[N@@H+](Cc1coc(S(N)(=O)=O)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000659854634 652368077 /nfs/dbraw/zinc/36/80/77/652368077.db2.gz XKVHHGHUSZNIIR-ZFWWWQNUSA-N 1 2 391.276 2.324 20 0 GEADLO CC(=O)NC1CC[NH+](CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000659862080 652368429 /nfs/dbraw/zinc/36/84/29/652368429.db2.gz NGEUPVVNEFFVKO-UHFFFAOYSA-N 1 2 379.258 2.109 20 0 GEADLO COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000625794764 652371113 /nfs/dbraw/zinc/37/11/13/652371113.db2.gz NJPPEKYGLKBRBC-CQSZACIVSA-N 1 2 391.331 2.486 20 0 GEADLO COc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCS(=O)(=O)N(C)C ZINC000625794764 652371118 /nfs/dbraw/zinc/37/11/18/652371118.db2.gz NJPPEKYGLKBRBC-CQSZACIVSA-N 1 2 391.331 2.486 20 0 GEADLO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000625794762 652371229 /nfs/dbraw/zinc/37/12/29/652371229.db2.gz NJPPEKYGLKBRBC-AWEZNQCLSA-N 1 2 391.331 2.486 20 0 GEADLO COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCS(=O)(=O)N(C)C ZINC000625794762 652371231 /nfs/dbraw/zinc/37/12/31/652371231.db2.gz NJPPEKYGLKBRBC-AWEZNQCLSA-N 1 2 391.331 2.486 20 0 GEADLO NC(=O)c1cn(C2CC[NH+](Cc3ccc(Br)cc3F)CC2)nn1 ZINC000625803318 652372296 /nfs/dbraw/zinc/37/22/96/652372296.db2.gz KIIMJINPWYUSRV-UHFFFAOYSA-N 1 2 382.237 2.116 20 0 GEADLO COC[C@H]1CCC[N@@H+]1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000751951388 652372977 /nfs/dbraw/zinc/37/29/77/652372977.db2.gz TXSDDZACJUODAK-GFCCVEGCSA-N 1 2 385.511 2.282 20 0 GEADLO COC[C@H]1CCC[N@H+]1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000751951388 652372980 /nfs/dbraw/zinc/37/29/80/652372980.db2.gz TXSDDZACJUODAK-GFCCVEGCSA-N 1 2 385.511 2.282 20 0 GEADLO COc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)ccc1Br ZINC000625868064 652373792 /nfs/dbraw/zinc/37/37/92/652373792.db2.gz NDSSSFHQZXAJKM-AWEZNQCLSA-N 1 2 383.286 2.395 20 0 GEADLO O=C(NC[C@H]1CC12CCSCC2)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000580308291 652375160 /nfs/dbraw/zinc/37/51/60/652375160.db2.gz MLSOVJWKJDJTLX-CRAIPNDOSA-N 1 2 385.599 2.027 20 0 GEADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000659976403 652375470 /nfs/dbraw/zinc/37/54/70/652375470.db2.gz ARSWWRIDHUEZLO-PHIMTYICSA-N 1 2 384.192 2.318 20 0 GEADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000659976403 652375476 /nfs/dbraw/zinc/37/54/76/652375476.db2.gz ARSWWRIDHUEZLO-PHIMTYICSA-N 1 2 384.192 2.318 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000626168809 652383287 /nfs/dbraw/zinc/38/32/87/652383287.db2.gz AELWGZRFVAUGEU-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000626168809 652383291 /nfs/dbraw/zinc/38/32/91/652383291.db2.gz AELWGZRFVAUGEU-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO Cc1ccsc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000660124910 652388466 /nfs/dbraw/zinc/38/84/66/652388466.db2.gz VLWLJQKRNKQXMR-QGZVFWFLSA-N 1 2 379.551 2.151 20 0 GEADLO Cc1ccsc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000660124910 652388469 /nfs/dbraw/zinc/38/84/69/652388469.db2.gz VLWLJQKRNKQXMR-QGZVFWFLSA-N 1 2 379.551 2.151 20 0 GEADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660388665 652400808 /nfs/dbraw/zinc/40/08/08/652400808.db2.gz CDICYIXOEFZVDJ-ZSGNIPIJSA-N 1 2 391.269 2.094 20 0 GEADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660388665 652400811 /nfs/dbraw/zinc/40/08/11/652400811.db2.gz CDICYIXOEFZVDJ-ZSGNIPIJSA-N 1 2 391.269 2.094 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2nsc3ccccc23)C1 ZINC000660407689 652401153 /nfs/dbraw/zinc/40/11/53/652401153.db2.gz BGEZFDADYOWFLB-AWEZNQCLSA-N 1 2 383.539 2.169 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2nsc3ccccc23)C1 ZINC000660407689 652401154 /nfs/dbraw/zinc/40/11/54/652401154.db2.gz BGEZFDADYOWFLB-AWEZNQCLSA-N 1 2 383.539 2.169 20 0 GEADLO O=C(NCCCc1cccc(Br)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660622446 652408202 /nfs/dbraw/zinc/40/82/02/652408202.db2.gz VLIHXZZQWLUGPV-QGZVFWFLSA-N 1 2 396.329 2.498 20 0 GEADLO Cc1cc(Br)ccc1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660635817 652408648 /nfs/dbraw/zinc/40/86/48/652408648.db2.gz MLXDKXWTFGEAKK-INIZCTEOSA-N 1 2 382.302 2.374 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2Br)C1 ZINC000581742194 652424313 /nfs/dbraw/zinc/42/43/13/652424313.db2.gz NMZUNGXFFAZPNT-JTQLQIEISA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2sccc2Br)C1 ZINC000581742194 652424316 /nfs/dbraw/zinc/42/43/16/652424316.db2.gz NMZUNGXFFAZPNT-JTQLQIEISA-N 1 2 375.288 2.125 20 0 GEADLO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000581748267 652424510 /nfs/dbraw/zinc/42/45/10/652424510.db2.gz SFYRYXCHLADRMX-ZDUSSCGKSA-N 1 2 381.885 2.079 20 0 GEADLO Cc1cc(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Br ZINC000661302731 652426450 /nfs/dbraw/zinc/42/64/50/652426450.db2.gz AAXGVWKHEAHWII-OAHLLOKOSA-N 1 2 382.302 2.374 20 0 GEADLO O=S1(=O)CCC[C@H](C[NH+]2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000661576451 652432911 /nfs/dbraw/zinc/43/29/11/652432911.db2.gz LDTDBMYHHHVCKE-CQSZACIVSA-N 1 2 387.343 2.396 20 0 GEADLO CC[N@H+](CCc1cccs1)CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000582173126 652438830 /nfs/dbraw/zinc/43/88/30/652438830.db2.gz MLHGFYGSXNGKHV-UHFFFAOYSA-N 1 2 380.535 2.332 20 0 GEADLO CC[N@@H+](CCc1cccs1)CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000582173126 652438835 /nfs/dbraw/zinc/43/88/35/652438835.db2.gz MLHGFYGSXNGKHV-UHFFFAOYSA-N 1 2 380.535 2.332 20 0 GEADLO Cn1cc(C[N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000661746870 652439224 /nfs/dbraw/zinc/43/92/24/652439224.db2.gz HYDPGCQUDMZDEI-LBPRGKRZSA-N 1 2 389.681 2.103 20 0 GEADLO Cn1cc(C[N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000661746870 652439228 /nfs/dbraw/zinc/43/92/28/652439228.db2.gz HYDPGCQUDMZDEI-LBPRGKRZSA-N 1 2 389.681 2.103 20 0 GEADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000754684152 652442693 /nfs/dbraw/zinc/44/26/93/652442693.db2.gz HCRTYVKBNBEFAO-LLVKDONJSA-N 1 2 378.226 2.279 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CCC(CO)(CO)C1 ZINC000661967746 652443911 /nfs/dbraw/zinc/44/39/11/652443911.db2.gz QXLSBINSFGCTGQ-JTQLQIEISA-N 1 2 380.794 2.363 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC(CO)(CO)C1 ZINC000661967746 652443913 /nfs/dbraw/zinc/44/39/13/652443913.db2.gz QXLSBINSFGCTGQ-JTQLQIEISA-N 1 2 380.794 2.363 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000662016351 652445296 /nfs/dbraw/zinc/44/52/96/652445296.db2.gz HZWVLPJAKLGONQ-LBPRGKRZSA-N 1 2 384.274 2.366 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000662016351 652445299 /nfs/dbraw/zinc/44/52/99/652445299.db2.gz HZWVLPJAKLGONQ-LBPRGKRZSA-N 1 2 384.274 2.366 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+][C@@H](CO)c3cccc(Cl)c3Cl)C2=O)n(C)n1 ZINC000662052960 652446658 /nfs/dbraw/zinc/44/66/58/652446658.db2.gz VUERSNSIHGMEPO-KGLIPLIRSA-N 1 2 383.279 2.464 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@H+](CCCOCCc1ccccc1)C2 ZINC000662225364 652453600 /nfs/dbraw/zinc/45/36/00/652453600.db2.gz HNNRWNCGUTZLIJ-UHFFFAOYSA-N 1 2 380.535 2.403 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@@H+](CCCOCCc1ccccc1)C2 ZINC000662225364 652453605 /nfs/dbraw/zinc/45/36/05/652453605.db2.gz HNNRWNCGUTZLIJ-UHFFFAOYSA-N 1 2 380.535 2.403 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc(Cl)cc1Cl ZINC000628578823 652463646 /nfs/dbraw/zinc/46/36/46/652463646.db2.gz MFINRTSURUBCJT-SFHVURJKSA-N 1 2 387.307 2.268 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc(Cl)cc1Cl ZINC000628578823 652463648 /nfs/dbraw/zinc/46/36/48/652463648.db2.gz MFINRTSURUBCJT-SFHVURJKSA-N 1 2 387.307 2.268 20 0 GEADLO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000628678123 652466893 /nfs/dbraw/zinc/46/68/93/652466893.db2.gz XLWOHVLVAIEPQS-GOEBONIOSA-N 1 2 383.286 2.452 20 0 GEADLO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000628678123 652466896 /nfs/dbraw/zinc/46/68/96/652466896.db2.gz XLWOHVLVAIEPQS-GOEBONIOSA-N 1 2 383.286 2.452 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000582975119 652469563 /nfs/dbraw/zinc/46/95/63/652469563.db2.gz MBSKYMOGBSBEPJ-OAHLLOKOSA-N 1 2 388.917 2.224 20 0 GEADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000755727001 652473915 /nfs/dbraw/zinc/47/39/15/652473915.db2.gz VJWUASIMONGAAH-OAHLLOKOSA-N 1 2 392.253 2.380 20 0 GEADLO CNS(=O)(=O)c1cccc(CNc2nc(C)[nH+]c(C)c2Br)c1 ZINC000663388548 652496525 /nfs/dbraw/zinc/49/65/25/652496525.db2.gz YYIJOBUEJHCEBB-UHFFFAOYSA-N 1 2 385.287 2.376 20 0 GEADLO Cc1c(NCC[C@@H](O)C(F)(F)F)nc[nH+]c1NCC[C@@H](O)C(F)(F)F ZINC000663591562 652504876 /nfs/dbraw/zinc/50/48/76/652504876.db2.gz CWXVXHJDLBXJSF-RKDXNWHRSA-N 1 2 376.301 2.235 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000584003248 652505526 /nfs/dbraw/zinc/50/55/26/652505526.db2.gz ZXHWOYYUFGTWCR-INIZCTEOSA-N 1 2 396.329 2.493 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000584003248 652505531 /nfs/dbraw/zinc/50/55/31/652505531.db2.gz ZXHWOYYUFGTWCR-INIZCTEOSA-N 1 2 396.329 2.493 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000584003248 652505536 /nfs/dbraw/zinc/50/55/36/652505536.db2.gz ZXHWOYYUFGTWCR-INIZCTEOSA-N 1 2 396.329 2.493 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1csc(Br)c1 ZINC000663705653 652509651 /nfs/dbraw/zinc/50/96/51/652509651.db2.gz UEHUXFLIIJJLQB-MNOVXSKESA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1csc(Br)c1 ZINC000663705653 652509653 /nfs/dbraw/zinc/50/96/53/652509653.db2.gz UEHUXFLIIJJLQB-MNOVXSKESA-N 1 2 376.320 2.419 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000584122260 652510179 /nfs/dbraw/zinc/51/01/79/652510179.db2.gz MHLSGKBDYRXIDD-OCCSQVGLSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000584122260 652510181 /nfs/dbraw/zinc/51/01/81/652510181.db2.gz MHLSGKBDYRXIDD-OCCSQVGLSA-N 1 2 380.286 2.318 20 0 GEADLO COc1ccc(S(=O)(=O)N(C)CCc2c[nH+]cn2C)cc1Br ZINC000664015198 652518008 /nfs/dbraw/zinc/51/80/08/652518008.db2.gz MTCABSGRZMUBDK-UHFFFAOYSA-N 1 2 388.287 2.054 20 0 GEADLO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1ncc(Br)cc1Cl ZINC000631052965 652519041 /nfs/dbraw/zinc/51/90/41/652519041.db2.gz GBWYVDIXABQBEU-UHFFFAOYSA-N 1 2 384.727 2.305 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2nc(C(F)(F)F)cs2)[C@H](C)CO1 ZINC000664266251 652524679 /nfs/dbraw/zinc/52/46/79/652524679.db2.gz FBIXNPPDGHKJOP-GHMZBOCLSA-N 1 2 380.436 2.113 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2nc(C(F)(F)F)cs2)[C@H](C)CO1 ZINC000664266251 652524682 /nfs/dbraw/zinc/52/46/82/652524682.db2.gz FBIXNPPDGHKJOP-GHMZBOCLSA-N 1 2 380.436 2.113 20 0 GEADLO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ncsc1Br)c1ccco1 ZINC000631654551 652529937 /nfs/dbraw/zinc/52/99/37/652529937.db2.gz NBCYTQXUJHFRHT-SNVBAGLBSA-N 1 2 394.316 2.221 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CCO1 ZINC000585697914 652533766 /nfs/dbraw/zinc/53/37/66/652533766.db2.gz OUDUNPRHYZZFJC-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CCO1 ZINC000585697914 652533771 /nfs/dbraw/zinc/53/37/71/652533771.db2.gz OUDUNPRHYZZFJC-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@@H](NC(=O)NCCSCc1ccnc(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000758456603 652542633 /nfs/dbraw/zinc/54/26/33/652542633.db2.gz VBSXVJKXMJCETF-KGLIPLIRSA-N 1 2 386.949 2.377 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000586832380 652543014 /nfs/dbraw/zinc/54/30/14/652543014.db2.gz FRFWLPDUKOCECY-LBPRGKRZSA-N 1 2 382.511 2.168 20 0 GEADLO CCS(=O)(=O)CCN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000758568485 652547035 /nfs/dbraw/zinc/54/70/35/652547035.db2.gz HZLGCSPFTIWQIJ-ZDUSSCGKSA-N 1 2 388.559 2.273 20 0 GEADLO CCS(=O)(=O)CCN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000758568485 652547038 /nfs/dbraw/zinc/54/70/38/652547038.db2.gz HZLGCSPFTIWQIJ-ZDUSSCGKSA-N 1 2 388.559 2.273 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1ncc[nH]1 ZINC000632462866 652564791 /nfs/dbraw/zinc/56/47/91/652564791.db2.gz YIWHAHZRRFUUCO-UHFFFAOYSA-N 1 2 399.314 2.115 20 0 GEADLO COC(=O)c1nn(CN2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1Br ZINC000759157570 652565216 /nfs/dbraw/zinc/56/52/16/652565216.db2.gz KVFNEYPXERSJGL-YPMHNXCESA-N 1 2 396.289 2.478 20 0 GEADLO O=S(=O)(c1ccc(C[NH2+]Cc2nc(Cl)cs2)cc1)N1CCOCC1 ZINC000759187329 652566101 /nfs/dbraw/zinc/56/61/01/652566101.db2.gz YZDSWFDTNNAZMM-UHFFFAOYSA-N 1 2 387.914 2.107 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680195 652574278 /nfs/dbraw/zinc/57/42/78/652574278.db2.gz FABTZYSMGWBKFD-UHFFFAOYSA-N 1 2 398.579 2.062 20 0 GEADLO O=S(=O)(NCc1cc[nH+]c(N2CCSCC2)c1)c1ccc(F)c(F)c1 ZINC000632680963 652574601 /nfs/dbraw/zinc/57/46/01/652574601.db2.gz HFMIPWYIQDTBKP-UHFFFAOYSA-N 1 2 385.461 2.392 20 0 GEADLO COC(=O)[C@]1(C)CC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000759754795 652585318 /nfs/dbraw/zinc/58/53/18/652585318.db2.gz JGFRKJJDKFQMMT-HZPDHXFCSA-N 1 2 385.873 2.011 20 0 GEADLO COC(=O)[C@]1(C)CC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000759754795 652585325 /nfs/dbraw/zinc/58/53/25/652585325.db2.gz JGFRKJJDKFQMMT-HZPDHXFCSA-N 1 2 385.873 2.011 20 0 GEADLO CCS(=O)(=O)C1(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000667018904 652589670 /nfs/dbraw/zinc/58/96/70/652589670.db2.gz HOTPOUHOTJVIQW-HNNXBMFYSA-N 1 2 387.933 2.209 20 0 GEADLO COC(=O)[C@H](NCc1c[nH+]c2c(C)cc(Br)cn12)c1ccnn1C ZINC000592527504 652598475 /nfs/dbraw/zinc/59/84/75/652598475.db2.gz HMVOTAOOGYHJEY-CQSZACIVSA-N 1 2 392.257 2.143 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000592526556 652598605 /nfs/dbraw/zinc/59/86/05/652598605.db2.gz BKJKQEHLLXFUAU-WDEREUQCSA-N 1 2 394.212 2.406 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000592526556 652598612 /nfs/dbraw/zinc/59/86/12/652598612.db2.gz BKJKQEHLLXFUAU-WDEREUQCSA-N 1 2 394.212 2.406 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000592532695 652599245 /nfs/dbraw/zinc/59/92/45/652599245.db2.gz OTRDFPSFBGGCNK-TZMCWYRMSA-N 1 2 394.269 2.195 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000592532695 652599248 /nfs/dbraw/zinc/59/92/48/652599248.db2.gz OTRDFPSFBGGCNK-TZMCWYRMSA-N 1 2 394.269 2.195 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2C[NH+](C)C)c1 ZINC000760310848 652603162 /nfs/dbraw/zinc/60/31/62/652603162.db2.gz FTWNUJYNWDJHOT-UHFFFAOYSA-N 1 2 382.507 2.343 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2ccnn2CC2CC2)CC1)c1cccs1 ZINC000667492580 652607834 /nfs/dbraw/zinc/60/78/34/652607834.db2.gz NWSVCKMMMUHKDE-UHFFFAOYSA-N 1 2 380.539 2.298 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633767266 652612519 /nfs/dbraw/zinc/61/25/19/652612519.db2.gz UNCZOIKVCHYOJE-SMDDNHRTSA-N 1 2 380.432 2.105 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000633767632 652612528 /nfs/dbraw/zinc/61/25/28/652612528.db2.gz WADGBWMMAVSBQK-KGLIPLIRSA-N 1 2 378.416 2.002 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)ccc1Br ZINC000667707418 652618987 /nfs/dbraw/zinc/61/89/87/652618987.db2.gz ZLYJUYGMOQSVLL-CHWSQXEVSA-N 1 2 391.269 2.349 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000668254395 652635293 /nfs/dbraw/zinc/63/52/93/652635293.db2.gz XXPLMXOTPGCFAV-CQSZACIVSA-N 1 2 396.329 2.500 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000668254395 652635298 /nfs/dbraw/zinc/63/52/98/652635298.db2.gz XXPLMXOTPGCFAV-CQSZACIVSA-N 1 2 396.329 2.500 20 0 GEADLO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)C1 ZINC000668284077 652636771 /nfs/dbraw/zinc/63/67/71/652636771.db2.gz BDPJFWDNBIPLCB-OCAPTIKFSA-N 1 2 378.064 2.271 20 0 GEADLO O=C(Cc1cccc(Br)c1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634511095 652641829 /nfs/dbraw/zinc/64/18/29/652641829.db2.gz AOVLBYPVIVHVOB-UHFFFAOYSA-N 1 2 389.297 2.169 20 0 GEADLO NC(=O)c1csc(C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)n1 ZINC000634649973 652647108 /nfs/dbraw/zinc/64/71/08/652647108.db2.gz YRKOIDKJCNGBLW-JTQLQIEISA-N 1 2 376.265 2.078 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)c(Cl)c1Cl ZINC000634661541 652652526 /nfs/dbraw/zinc/65/25/26/652652526.db2.gz VIUUVBIOAUJMHV-SECBINFHSA-N 1 2 376.265 2.492 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000668689102 652660766 /nfs/dbraw/zinc/66/07/66/652660766.db2.gz WKUDILDIFCMTCT-ZDUSSCGKSA-N 1 2 398.301 2.408 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000668689102 652660769 /nfs/dbraw/zinc/66/07/69/652660769.db2.gz WKUDILDIFCMTCT-ZDUSSCGKSA-N 1 2 398.301 2.408 20 0 GEADLO COc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)nc1I ZINC000761996641 652666620 /nfs/dbraw/zinc/66/66/20/652666620.db2.gz LVXYQGYRBKOZRA-UHFFFAOYSA-N 1 2 383.189 2.381 20 0 GEADLO O=S1(=O)CC[C@H](SCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000762076883 652671156 /nfs/dbraw/zinc/67/11/56/652671156.db2.gz PEAPSAKWHVHCRK-AWEZNQCLSA-N 1 2 376.463 2.343 20 0 GEADLO COc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)nc1I ZINC000762408155 652688412 /nfs/dbraw/zinc/68/84/12/652688412.db2.gz JGBJHGFFGLSDHU-UHFFFAOYSA-N 1 2 397.176 2.069 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000635288795 652711426 /nfs/dbraw/zinc/71/14/26/652711426.db2.gz NWXHFNLLDMSFNX-CYBMUJFWSA-N 1 2 375.372 2.097 20 0 GEADLO Cn1ncc2c1nc(C[NH2+][C@@H]1CCOc3c(Br)cccc31)[nH]c2=O ZINC000669694325 652714349 /nfs/dbraw/zinc/71/43/49/652714349.db2.gz JFTGPFUGEGIUHH-GFCCVEGCSA-N 1 2 390.241 2.445 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCc3sc(Br)cc3C2)C1 ZINC000669932050 652728565 /nfs/dbraw/zinc/72/85/65/652728565.db2.gz JJYRDKXEXDIZLF-JTQLQIEISA-N 1 2 379.345 2.150 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCc3sc(Br)cc3C2)C1 ZINC000669932050 652728573 /nfs/dbraw/zinc/72/85/73/652728573.db2.gz JJYRDKXEXDIZLF-JTQLQIEISA-N 1 2 379.345 2.150 20 0 GEADLO COC(=O)CCN1CCC[C@H]([NH2+][C@H](C)c2nc(C(F)(F)F)cs2)C1=O ZINC000595482608 652730392 /nfs/dbraw/zinc/73/03/92/652730392.db2.gz SLMWBFCPZQMGND-ZJUUUORDSA-N 1 2 379.404 2.367 20 0 GEADLO CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000635602255 652742886 /nfs/dbraw/zinc/74/28/86/652742886.db2.gz GIWUGCTYDVHYPS-AGIUHOORSA-N 1 2 381.420 2.191 20 0 GEADLO CC(C)Cc1ncnc(NCc2ccc[nH+]c2N)c1I ZINC000596252701 652755537 /nfs/dbraw/zinc/75/55/37/652755537.db2.gz JGVICMAYTHSOEN-UHFFFAOYSA-N 1 2 383.237 2.869 20 0 GEADLO CCC1(CC)CN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCS1(=O)=O ZINC000635843305 652758066 /nfs/dbraw/zinc/75/80/66/652758066.db2.gz UEGOMCDKSVXZTI-LBPRGKRZSA-N 1 2 381.420 2.192 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccccc1Br)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635854524 652759956 /nfs/dbraw/zinc/75/99/56/652759956.db2.gz VRVKYZZRHRWWOQ-MRVWCRGKSA-N 1 2 378.270 2.243 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccccc1Br)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635854524 652759960 /nfs/dbraw/zinc/75/99/60/652759960.db2.gz VRVKYZZRHRWWOQ-MRVWCRGKSA-N 1 2 378.270 2.243 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(Br)cc(C)c1C ZINC000597441073 652782793 /nfs/dbraw/zinc/78/27/93/652782793.db2.gz ICQNPMWMRWGBHP-AWEZNQCLSA-N 1 2 380.242 2.303 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(Br)cc(C)c1C ZINC000597441073 652782798 /nfs/dbraw/zinc/78/27/98/652782798.db2.gz ICQNPMWMRWGBHP-AWEZNQCLSA-N 1 2 380.242 2.303 20 0 GEADLO Cn1ncc2c1nc(C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)[nH]c2=O ZINC000671250415 652789765 /nfs/dbraw/zinc/78/97/65/652789765.db2.gz XTFFZRWONRSODH-CQSZACIVSA-N 1 2 389.257 2.467 20 0 GEADLO S=C(NCc1ccon1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000764453970 652801121 /nfs/dbraw/zinc/80/11/21/652801121.db2.gz WNHDXSSTPWIRTQ-UHFFFAOYSA-N 1 2 380.901 2.399 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cn2cc(Br)ccc2n1 ZINC000671719737 652811096 /nfs/dbraw/zinc/81/10/96/652811096.db2.gz ASMUUJDWDGLZAB-BBRMVZONSA-N 1 2 379.302 2.392 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NCCc1ccc(I)cc1 ZINC000598393653 652813820 /nfs/dbraw/zinc/81/38/20/652813820.db2.gz NWZMRWSKSZRXLG-UHFFFAOYSA-N 1 2 383.233 2.316 20 0 GEADLO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598942474 652841215 /nfs/dbraw/zinc/84/12/15/652841215.db2.gz BLERBVHQMZAMRA-JCQPUDPBSA-N 1 2 396.310 2.275 20 0 GEADLO CC(C)(C(=O)N[C@@H]1CCc2c[nH+]cn2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000673291497 652859758 /nfs/dbraw/zinc/85/97/58/652859758.db2.gz BAUSRPJEMWSSAM-CYBMUJFWSA-N 1 2 381.885 2.220 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)N1CC(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637472678 652862169 /nfs/dbraw/zinc/86/21/69/652862169.db2.gz HAWZOZHOVMXKPD-CQSZACIVSA-N 1 2 394.324 2.035 20 0 GEADLO COC(=O)[C@@H](C)C[N@H+](CN1C(=O)c2ccc(Br)cc2C1=O)C1CC1 ZINC000766069361 652864752 /nfs/dbraw/zinc/86/47/52/652864752.db2.gz MTMLXPFGVBHEMS-JTQLQIEISA-N 1 2 395.253 2.276 20 0 GEADLO COC(=O)[C@@H](C)C[N@@H+](CN1C(=O)c2ccc(Br)cc2C1=O)C1CC1 ZINC000766069361 652864756 /nfs/dbraw/zinc/86/47/56/652864756.db2.gz MTMLXPFGVBHEMS-JTQLQIEISA-N 1 2 395.253 2.276 20 0 GEADLO Cc1cccn2cc(CCNC(=O)CCn3cc(Br)cn3)[nH+]c12 ZINC000673724234 652875521 /nfs/dbraw/zinc/87/55/21/652875521.db2.gz KILDJFPQPFZTJO-UHFFFAOYSA-N 1 2 376.258 2.351 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC000599561865 652878182 /nfs/dbraw/zinc/87/81/82/652878182.db2.gz CVHASCMICAAEPF-INIZCTEOSA-N 1 2 382.258 2.100 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC000599561865 652878185 /nfs/dbraw/zinc/87/81/85/652878185.db2.gz CVHASCMICAAEPF-INIZCTEOSA-N 1 2 382.258 2.100 20 0 GEADLO NS(=O)(=O)c1ccc(CN2CCC[C@@H](n3cc[nH+]c3)C2)cc1Br ZINC000638017660 652881518 /nfs/dbraw/zinc/88/15/18/652881518.db2.gz ILODQEACSOOXQY-CYBMUJFWSA-N 1 2 399.314 2.130 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000638067597 652883381 /nfs/dbraw/zinc/88/33/81/652883381.db2.gz FNCHYDXVGVBWKE-UHFFFAOYSA-N 1 2 376.906 2.300 20 0 GEADLO COc1nsc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1Br ZINC000638415256 652888723 /nfs/dbraw/zinc/88/87/23/652888723.db2.gz GEWBIWVKVSFIMI-SNVBAGLBSA-N 1 2 387.303 2.270 20 0 GEADLO CN(C)C(=O)C[NH+]1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1 ZINC000674243340 652891613 /nfs/dbraw/zinc/89/16/13/652891613.db2.gz GQCXJBDONLRILF-UHFFFAOYSA-N 1 2 395.276 2.347 20 0 GEADLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000675146024 652917933 /nfs/dbraw/zinc/91/79/33/652917933.db2.gz DKGYSDGOZRSORK-LRDDRELGSA-N 1 2 382.913 2.245 20 0 GEADLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000675146024 652917937 /nfs/dbraw/zinc/91/79/37/652917937.db2.gz DKGYSDGOZRSORK-LRDDRELGSA-N 1 2 382.913 2.245 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(C)ccc2S(N)(=O)=O)n1 ZINC000767323499 652920206 /nfs/dbraw/zinc/92/02/06/652920206.db2.gz ZDKQEFWTTLJQGD-UHFFFAOYSA-N 1 2 382.511 2.193 20 0 GEADLO COc1nsc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1Br ZINC000639161860 652924368 /nfs/dbraw/zinc/92/43/68/652924368.db2.gz NWLLWFYJONXJRX-GHMZBOCLSA-N 1 2 376.320 2.209 20 0 GEADLO COc1nsc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1Br ZINC000639161860 652924373 /nfs/dbraw/zinc/92/43/73/652924373.db2.gz NWLLWFYJONXJRX-GHMZBOCLSA-N 1 2 376.320 2.209 20 0 GEADLO COc1nsc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1Br ZINC000639161863 652924454 /nfs/dbraw/zinc/92/44/54/652924454.db2.gz NWLLWFYJONXJRX-WDEREUQCSA-N 1 2 376.320 2.209 20 0 GEADLO COc1nsc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1Br ZINC000639161863 652924458 /nfs/dbraw/zinc/92/44/58/652924458.db2.gz NWLLWFYJONXJRX-WDEREUQCSA-N 1 2 376.320 2.209 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(OC)c(OC)cc2Cl)CC1 ZINC000639169076 652924662 /nfs/dbraw/zinc/92/46/62/652924662.db2.gz BLIVXQMXBJOSLM-UHFFFAOYSA-N 1 2 376.906 2.261 20 0 GEADLO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccncc2Br)c1 ZINC000639255901 652929444 /nfs/dbraw/zinc/92/94/44/652929444.db2.gz PPFDHCMXQZFJRU-UHFFFAOYSA-N 1 2 384.299 2.432 20 0 GEADLO C[N@@H+]1CCN(Cc2cc(Br)c(O)c(Br)c2)[C@@H](CO)C1 ZINC000639334488 652932879 /nfs/dbraw/zinc/93/28/79/652932879.db2.gz RYXVMOGIODUDEP-SNVBAGLBSA-N 1 2 394.107 2.026 20 0 GEADLO C[N@H+]1CCN(Cc2cc(Br)c(O)c(Br)c2)[C@@H](CO)C1 ZINC000639334488 652932885 /nfs/dbraw/zinc/93/28/85/652932885.db2.gz RYXVMOGIODUDEP-SNVBAGLBSA-N 1 2 394.107 2.026 20 0 GEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3cccc(Cl)n3)CC2)cc1 ZINC000767747293 652948190 /nfs/dbraw/zinc/94/81/90/652948190.db2.gz UDTYFFJUDWRKOL-UHFFFAOYSA-N 1 2 380.901 2.429 20 0 GEADLO Nc1nnc(C2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)o1 ZINC000639740240 652951246 /nfs/dbraw/zinc/95/12/46/652951246.db2.gz WPSVLOHWVJBJDX-UHFFFAOYSA-N 1 2 380.246 2.232 20 0 GEADLO O[C@H](C[N@@H+]1CCc2cc(F)cc(Br)c2C1)CC1(O)CCOCC1 ZINC000639896730 653087835 /nfs/dbraw/zinc/08/78/35/653087835.db2.gz JPXJONIQHJBJAR-AWEZNQCLSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@H](C[N@H+]1CCc2cc(F)cc(Br)c2C1)CC1(O)CCOCC1 ZINC000639896730 653087837 /nfs/dbraw/zinc/08/78/37/653087837.db2.gz JPXJONIQHJBJAR-AWEZNQCLSA-N 1 2 388.277 2.239 20 0 GEADLO COc1cc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc(OC)c1Br ZINC000639915097 653088531 /nfs/dbraw/zinc/08/85/31/653088531.db2.gz WJMAVKUYXBXHJK-JTQLQIEISA-N 1 2 381.230 2.409 20 0 GEADLO COc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)ncc1Br ZINC000639962576 653090270 /nfs/dbraw/zinc/09/02/70/653090270.db2.gz LQJUABSEMYPBOO-LBPRGKRZSA-N 1 2 399.289 2.181 20 0 GEADLO COc1cc(OC)c(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1Br ZINC000640018663 653093690 /nfs/dbraw/zinc/09/36/90/653093690.db2.gz AZMRQCUSVWQHCX-VIFPVBQESA-N 1 2 381.230 2.409 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(Cl)cc1Cl ZINC000768563463 653118098 /nfs/dbraw/zinc/11/80/98/653118098.db2.gz TYBZIGFWAGQPQQ-ZJUUUORDSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(Cl)cc1Cl ZINC000768563463 653118103 /nfs/dbraw/zinc/11/81/03/653118103.db2.gz TYBZIGFWAGQPQQ-ZJUUUORDSA-N 1 2 395.308 2.493 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000805472962 653118335 /nfs/dbraw/zinc/11/83/35/653118335.db2.gz BSYNDKHOEQNPOK-FZMZJTMJSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000805472962 653118343 /nfs/dbraw/zinc/11/83/43/653118343.db2.gz BSYNDKHOEQNPOK-FZMZJTMJSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000805472963 653118536 /nfs/dbraw/zinc/11/85/36/653118536.db2.gz BSYNDKHOEQNPOK-RISCZKNCSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000805472963 653118539 /nfs/dbraw/zinc/11/85/39/653118539.db2.gz BSYNDKHOEQNPOK-RISCZKNCSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(OC)c(OC)c2Br)C1 ZINC000805475586 653118683 /nfs/dbraw/zinc/11/86/83/653118683.db2.gz USJWYHROEYIUHY-ZDUSSCGKSA-N 1 2 388.258 2.230 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(OC)c(OC)c2Br)C1 ZINC000805475586 653118688 /nfs/dbraw/zinc/11/86/88/653118688.db2.gz USJWYHROEYIUHY-ZDUSSCGKSA-N 1 2 388.258 2.230 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OCCOc2cc(F)cc(Br)c2)C1 ZINC000805475638 653119171 /nfs/dbraw/zinc/11/91/71/653119171.db2.gz ADUXLZYMGHJZIJ-CQSZACIVSA-N 1 2 376.222 2.231 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OCCOc2cc(F)cc(Br)c2)C1 ZINC000805475638 653119175 /nfs/dbraw/zinc/11/91/75/653119175.db2.gz ADUXLZYMGHJZIJ-CQSZACIVSA-N 1 2 376.222 2.231 20 0 GEADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000771925280 653132250 /nfs/dbraw/zinc/13/22/50/653132250.db2.gz DXLRDWSQVKPGPU-LBPRGKRZSA-N 1 2 378.226 2.242 20 0 GEADLO C[C@@H](Cc1ccsc1)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000679149786 653138934 /nfs/dbraw/zinc/13/89/34/653138934.db2.gz UAWQBDGRQAHUPM-AWEZNQCLSA-N 1 2 380.539 2.268 20 0 GEADLO COC(=O)c1cnc([C@H](C)NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)s1 ZINC000602166176 653153413 /nfs/dbraw/zinc/15/34/13/653153413.db2.gz IRTAKVMWGLRSGN-WCBMZHEXSA-N 1 2 376.360 2.497 20 0 GEADLO C[N@H+](CCO)Cc1cn(Cc2ncc(-c3ccc(Br)cc3)o2)nn1 ZINC000641072526 653154807 /nfs/dbraw/zinc/15/48/07/653154807.db2.gz JPJXQCUFLVJWDS-UHFFFAOYSA-N 1 2 392.257 2.168 20 0 GEADLO C[N@@H+](CCO)Cc1cn(Cc2ncc(-c3ccc(Br)cc3)o2)nn1 ZINC000641072526 653154809 /nfs/dbraw/zinc/15/48/09/653154809.db2.gz JPJXQCUFLVJWDS-UHFFFAOYSA-N 1 2 392.257 2.168 20 0 GEADLO CCOC(=O)C[C@@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C(F)(F)F ZINC000602180230 653155356 /nfs/dbraw/zinc/15/53/56/653155356.db2.gz RITMZXYZMZDVGC-BDAKNGLRSA-N 1 2 375.269 2.377 20 0 GEADLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)c1cnc(Cl)n1C)c1ccccc1 ZINC000769428002 653156016 /nfs/dbraw/zinc/15/60/16/653156016.db2.gz BUCMWDHCZGKHJN-CYBMUJFWSA-N 1 2 379.873 2.069 20 0 GEADLO CCCOc1ccc(Br)cc1Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641134118 653160971 /nfs/dbraw/zinc/16/09/71/653160971.db2.gz HWRPKTBHYJDJHJ-UHFFFAOYSA-N 1 2 383.290 2.302 20 0 GEADLO CCCOc1ccc(Br)cc1Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641134118 653160974 /nfs/dbraw/zinc/16/09/74/653160974.db2.gz HWRPKTBHYJDJHJ-UHFFFAOYSA-N 1 2 383.290 2.302 20 0 GEADLO Cc1cnc(Br)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000806435136 653162354 /nfs/dbraw/zinc/16/23/54/653162354.db2.gz FTZLSMGTFNSLFU-STQMWFEESA-N 1 2 383.290 2.479 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000806667154 653172588 /nfs/dbraw/zinc/17/25/88/653172588.db2.gz UNGFXRBXSAVBCZ-MLGOLLRUSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000806667154 653172591 /nfs/dbraw/zinc/17/25/91/653172591.db2.gz UNGFXRBXSAVBCZ-MLGOLLRUSA-N 1 2 390.311 2.437 20 0 GEADLO COc1cc(CS(=O)(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)sn1 ZINC000641272233 653176237 /nfs/dbraw/zinc/17/62/37/653176237.db2.gz PWXVDCFQFURFIS-NSHDSACASA-N 1 2 387.552 2.079 20 0 GEADLO COc1cc(CS(=O)(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)sn1 ZINC000641272233 653176243 /nfs/dbraw/zinc/17/62/43/653176243.db2.gz PWXVDCFQFURFIS-NSHDSACASA-N 1 2 387.552 2.079 20 0 GEADLO CCOc1cc(CNS(=O)(=O)CCn2cc[nH+]c2)ccc1OC(F)F ZINC000641283488 653178214 /nfs/dbraw/zinc/17/82/14/653178214.db2.gz BVAJPNDXXMDRJY-UHFFFAOYSA-N 1 2 375.397 2.003 20 0 GEADLO CC(C)OC[C@H]1C[N@H+](Cn2nc(Br)c(=O)c3ccccc32)CCO1 ZINC000769817106 653179344 /nfs/dbraw/zinc/17/93/44/653179344.db2.gz VVGWMGGHAZVPAJ-CYBMUJFWSA-N 1 2 396.285 2.242 20 0 GEADLO CC(C)OC[C@H]1C[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)CCO1 ZINC000769817106 653179353 /nfs/dbraw/zinc/17/93/53/653179353.db2.gz VVGWMGGHAZVPAJ-CYBMUJFWSA-N 1 2 396.285 2.242 20 0 GEADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000602483666 653185669 /nfs/dbraw/zinc/18/56/69/653185669.db2.gz JOARCLKLRHNEDH-FNODVLLQSA-N 1 2 384.498 2.404 20 0 GEADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000602483666 653185675 /nfs/dbraw/zinc/18/56/75/653185675.db2.gz JOARCLKLRHNEDH-FNODVLLQSA-N 1 2 384.498 2.404 20 0 GEADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000602483672 653185726 /nfs/dbraw/zinc/18/57/26/653185726.db2.gz JOARCLKLRHNEDH-YYUOZPCZSA-N 1 2 384.498 2.404 20 0 GEADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000602483672 653185731 /nfs/dbraw/zinc/18/57/31/653185731.db2.gz JOARCLKLRHNEDH-YYUOZPCZSA-N 1 2 384.498 2.404 20 0 GEADLO COC[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000641334429 653189434 /nfs/dbraw/zinc/18/94/34/653189434.db2.gz GHPZYCPPWULMHM-CQSZACIVSA-N 1 2 377.388 2.209 20 0 GEADLO C[C@H](Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1)C1CCSCC1 ZINC000681740896 653190626 /nfs/dbraw/zinc/19/06/26/653190626.db2.gz CENXGGMPHFKVQC-AWEZNQCLSA-N 1 2 384.571 2.107 20 0 GEADLO CCOCCOCC[N@H+](C)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773324447 653193202 /nfs/dbraw/zinc/19/32/02/653193202.db2.gz IXAKPUITQWGXHZ-UHFFFAOYSA-N 1 2 391.237 2.439 20 0 GEADLO CCOCCOCC[N@@H+](C)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773324447 653193205 /nfs/dbraw/zinc/19/32/05/653193205.db2.gz IXAKPUITQWGXHZ-UHFFFAOYSA-N 1 2 391.237 2.439 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCc1csc(CCc2ccccc2)n1 ZINC000641372965 653194378 /nfs/dbraw/zinc/19/43/78/653194378.db2.gz LHGQWWHRQVFHEI-UHFFFAOYSA-N 1 2 376.507 2.244 20 0 GEADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cnn2cc(Br)cnc12 ZINC000602625128 653196127 /nfs/dbraw/zinc/19/61/27/653196127.db2.gz DNDVYKLVYQIFOD-HONMWMINSA-N 1 2 379.258 2.265 20 0 GEADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cnn2cc(Br)cnc12 ZINC000602625128 653196131 /nfs/dbraw/zinc/19/61/31/653196131.db2.gz DNDVYKLVYQIFOD-HONMWMINSA-N 1 2 379.258 2.265 20 0 GEADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cnn2cc(Br)cnc12 ZINC000602625126 653196195 /nfs/dbraw/zinc/19/61/95/653196195.db2.gz DNDVYKLVYQIFOD-BPNCWPANSA-N 1 2 379.258 2.265 20 0 GEADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cnn2cc(Br)cnc12 ZINC000602625126 653196199 /nfs/dbraw/zinc/19/61/99/653196199.db2.gz DNDVYKLVYQIFOD-BPNCWPANSA-N 1 2 379.258 2.265 20 0 GEADLO Cc1cc(Br)cc2c1CN(S(=O)(=O)CCn1cc[nH+]c1)CC2 ZINC000641412473 653202158 /nfs/dbraw/zinc/20/21/58/653202158.db2.gz QLVPDTBUUJOPLO-UHFFFAOYSA-N 1 2 384.299 2.342 20 0 GEADLO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1ncn(C)n1 ZINC000682033380 653204580 /nfs/dbraw/zinc/20/45/80/653204580.db2.gz FRCVJQRMTYWMQW-GXSJLCMTSA-N 1 2 389.681 2.322 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602750908 653204661 /nfs/dbraw/zinc/20/46/61/653204661.db2.gz AZMFEORFRPPNOS-JTQLQIEISA-N 1 2 375.226 2.306 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CSc2ccc(Br)cc21 ZINC000641463608 653209614 /nfs/dbraw/zinc/20/96/14/653209614.db2.gz QGHHCXXHXCOARM-GFCCVEGCSA-N 1 2 388.312 2.412 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)OCC[NH+]2CCCCC2)ccc1Br ZINC000770360397 653210277 /nfs/dbraw/zinc/21/02/77/653210277.db2.gz UCCUGCAAPYLHCN-UHFFFAOYSA-N 1 2 390.299 2.495 20 0 GEADLO C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)c1ccc(Br)cc1F ZINC000641493816 653213623 /nfs/dbraw/zinc/21/36/23/653213623.db2.gz LRXKLJCZPGVXHI-JTQLQIEISA-N 1 2 376.251 2.465 20 0 GEADLO CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641516010 653216979 /nfs/dbraw/zinc/21/69/79/653216979.db2.gz GYLZNJDJUIRBLT-CYBMUJFWSA-N 1 2 380.432 2.310 20 0 GEADLO CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641516010 653216985 /nfs/dbraw/zinc/21/69/85/653216985.db2.gz GYLZNJDJUIRBLT-CYBMUJFWSA-N 1 2 380.432 2.310 20 0 GEADLO CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641516018 653217037 /nfs/dbraw/zinc/21/70/37/653217037.db2.gz GYLZNJDJUIRBLT-ZDUSSCGKSA-N 1 2 380.432 2.310 20 0 GEADLO CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641516018 653217038 /nfs/dbraw/zinc/21/70/38/653217038.db2.gz GYLZNJDJUIRBLT-ZDUSSCGKSA-N 1 2 380.432 2.310 20 0 GEADLO CN1CC[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1=O ZINC000682691752 653221986 /nfs/dbraw/zinc/22/19/86/653221986.db2.gz OCRYXUOTWWOVAS-NVXWUHKLSA-N 1 2 394.313 2.323 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCc1cc(F)c(Br)cc1F ZINC000641630655 653225204 /nfs/dbraw/zinc/22/52/04/653225204.db2.gz AGRNLMQEXYMXCM-UHFFFAOYSA-N 1 2 380.214 2.043 20 0 GEADLO C[C@]1(CS(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1(F)F ZINC000641641667 653226736 /nfs/dbraw/zinc/22/67/36/653226736.db2.gz OJJMUIWFYOLHSX-CQSZACIVSA-N 1 2 377.482 2.100 20 0 GEADLO CC1(C)[C@H](CS(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1(F)F ZINC000641641253 653226791 /nfs/dbraw/zinc/22/67/91/653226791.db2.gz KUHZSNBBEFTXQE-ZDUSSCGKSA-N 1 2 391.509 2.346 20 0 GEADLO Cc1cn2cc(NC(=O)C(=O)N[C@@H]3CC[C@H]4SCCS[C@@H]34)ccc2[nH+]1 ZINC000774350458 653235402 /nfs/dbraw/zinc/23/54/02/653235402.db2.gz ULXGAMQOVAORHL-NFAWXSAZSA-N 1 2 376.507 2.077 20 0 GEADLO CN(C)C(=O)N1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000642252401 653241019 /nfs/dbraw/zinc/24/10/19/653241019.db2.gz KUATUCGFOSPKQH-LBPRGKRZSA-N 1 2 376.284 2.032 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000774784224 653254407 /nfs/dbraw/zinc/25/44/07/653254407.db2.gz CDLVYZVCUOQTDJ-BCNIOPEESA-N 1 2 386.901 2.210 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000774784224 653254458 /nfs/dbraw/zinc/25/44/58/653254458.db2.gz CDLVYZVCUOQTDJ-BCNIOPEESA-N 1 2 386.901 2.210 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000809556630 653281853 /nfs/dbraw/zinc/28/18/53/653281853.db2.gz MRTFTAXUJIZMND-NSHDSACASA-N 1 2 383.495 2.029 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000809556630 653281860 /nfs/dbraw/zinc/28/18/60/653281860.db2.gz MRTFTAXUJIZMND-NSHDSACASA-N 1 2 383.495 2.029 20 0 GEADLO C[C@@H]1CCN(C(=O)c2c(Br)nc3n2CCOC3)C[C@@H]1n1cc[nH+]c1 ZINC000857151496 653290957 /nfs/dbraw/zinc/29/09/57/653290957.db2.gz JOMDMLFRQQEZTN-NEPJUHHUSA-N 1 2 394.273 2.096 20 0 GEADLO CN1C(=O)NC2(CC[NH+](Cc3c(Cl)nc4cc(Cl)ccn43)CC2)C1=O ZINC000809749266 653292854 /nfs/dbraw/zinc/29/28/54/653292854.db2.gz DDCQSGIXFWYDGV-UHFFFAOYSA-N 1 2 382.251 2.157 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000685594998 653306917 /nfs/dbraw/zinc/30/69/17/653306917.db2.gz PQQMSDQZNHDPQI-OAHLLOKOSA-N 1 2 381.885 2.439 20 0 GEADLO CCOc1ccc(Br)cc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000685603337 653307353 /nfs/dbraw/zinc/30/73/53/653307353.db2.gz LFJOGURQSKZCRH-UHFFFAOYSA-N 1 2 386.271 2.249 20 0 GEADLO CSc1cccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1C ZINC000775395225 653312546 /nfs/dbraw/zinc/31/25/46/653312546.db2.gz KTANMNPAKQYCEA-UHFFFAOYSA-N 1 2 385.555 2.347 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(Cl)ncc1Br ZINC000874708260 653333477 /nfs/dbraw/zinc/33/34/77/653333477.db2.gz LCJOVBRSFNBALE-SNVBAGLBSA-N 1 2 376.682 2.338 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(Cl)ncc1Br ZINC000874708260 653333484 /nfs/dbraw/zinc/33/34/84/653333484.db2.gz LCJOVBRSFNBALE-SNVBAGLBSA-N 1 2 376.682 2.338 20 0 GEADLO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000874828311 653338907 /nfs/dbraw/zinc/33/89/07/653338907.db2.gz HBSPUCVKIMUVMN-QWHCGFSZSA-N 1 2 376.400 2.289 20 0 GEADLO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000874828311 653338912 /nfs/dbraw/zinc/33/89/12/653338912.db2.gz HBSPUCVKIMUVMN-QWHCGFSZSA-N 1 2 376.400 2.289 20 0 GEADLO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000874847210 653339590 /nfs/dbraw/zinc/33/95/90/653339590.db2.gz MWOIJUQTYVKEBP-CVEARBPZSA-N 1 2 382.913 2.341 20 0 GEADLO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000874847210 653339599 /nfs/dbraw/zinc/33/95/99/653339599.db2.gz MWOIJUQTYVKEBP-CVEARBPZSA-N 1 2 382.913 2.341 20 0 GEADLO C[C@]1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1(Br)Br ZINC000857940941 653343471 /nfs/dbraw/zinc/34/34/71/653343471.db2.gz XSYAUHLUVRTFHJ-LDYMZIIASA-N 1 2 377.080 2.210 20 0 GEADLO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1CCn2c[nH+]cc21 ZINC000857991559 653346550 /nfs/dbraw/zinc/34/65/50/653346550.db2.gz KTDFSFSVWKHCQO-LBPRGKRZSA-N 1 2 378.226 2.221 20 0 GEADLO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857988996 653346580 /nfs/dbraw/zinc/34/65/80/653346580.db2.gz DOVHILOFJNOPGY-CYBMUJFWSA-N 1 2 377.242 2.027 20 0 GEADLO CCON(CC)C(=O)C[NH2+]Cc1c(F)ccc(I)c1F ZINC000858220301 653355390 /nfs/dbraw/zinc/35/53/90/653355390.db2.gz SDXDXOQFLOIVKR-UHFFFAOYSA-N 1 2 398.191 2.459 20 0 GEADLO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000858612496 653370004 /nfs/dbraw/zinc/37/00/04/653370004.db2.gz CBUZJBXYLLUZAB-SNVBAGLBSA-N 1 2 387.221 2.124 20 0 GEADLO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Br)nc1F ZINC000858973014 653389321 /nfs/dbraw/zinc/38/93/21/653389321.db2.gz VIQVJIKTRCHHIX-JTQLQIEISA-N 1 2 380.283 2.136 20 0 GEADLO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Br)nc1F ZINC000858973014 653389331 /nfs/dbraw/zinc/38/93/31/653389331.db2.gz VIQVJIKTRCHHIX-JTQLQIEISA-N 1 2 380.283 2.136 20 0 GEADLO Cn1nnc(Br)c1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000811472858 653393846 /nfs/dbraw/zinc/39/38/46/653393846.db2.gz PMWROBKIPDAFHC-UHFFFAOYSA-N 1 2 393.289 2.130 20 0 GEADLO O=C(NC[C@@H]1CCC[N@H+](Cn2c(=O)sc3c2CCCC3)C1)C(F)(F)F ZINC000811785188 653404645 /nfs/dbraw/zinc/40/46/45/653404645.db2.gz AYHBUUBNQIKTCO-NSHDSACASA-N 1 2 377.432 2.137 20 0 GEADLO O=C(NC[C@@H]1CCC[N@@H+](Cn2c(=O)sc3c2CCCC3)C1)C(F)(F)F ZINC000811785188 653404648 /nfs/dbraw/zinc/40/46/48/653404648.db2.gz AYHBUUBNQIKTCO-NSHDSACASA-N 1 2 377.432 2.137 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000837156581 653405587 /nfs/dbraw/zinc/40/55/87/653405587.db2.gz SFTZZYVBISTFMY-WFASDCNBSA-N 1 2 378.270 2.400 20 0 GEADLO C[C@@H](CSC(C)(C)C)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000777705500 653405734 /nfs/dbraw/zinc/40/57/34/653405734.db2.gz RLXCDVNFPRGKSW-AWEZNQCLSA-N 1 2 386.587 2.495 20 0 GEADLO Cn1nnc(Br)c1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000811890972 653411472 /nfs/dbraw/zinc/41/14/72/653411472.db2.gz HXHSXOBTOGAZCQ-UHFFFAOYSA-N 1 2 391.229 2.105 20 0 GEADLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(Br)nc1F ZINC000859180562 653418227 /nfs/dbraw/zinc/41/82/27/653418227.db2.gz IMTYSGUYBRZDGQ-SNVBAGLBSA-N 1 2 380.283 2.088 20 0 GEADLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(Br)nc1F ZINC000859180562 653418235 /nfs/dbraw/zinc/41/82/35/653418235.db2.gz IMTYSGUYBRZDGQ-SNVBAGLBSA-N 1 2 380.283 2.088 20 0 GEADLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000876582336 653437118 /nfs/dbraw/zinc/43/71/18/653437118.db2.gz WQPOGBCQIRRTJQ-ZDUSSCGKSA-N 1 2 382.262 2.202 20 0 GEADLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000876582336 653437120 /nfs/dbraw/zinc/43/71/20/653437120.db2.gz WQPOGBCQIRRTJQ-ZDUSSCGKSA-N 1 2 382.262 2.202 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@@H](COC)c2ccc(Br)cc2)C1 ZINC000837548186 653448423 /nfs/dbraw/zinc/44/84/23/653448423.db2.gz XUNCGKVXLGWKRI-ZBFHGGJFSA-N 1 2 386.286 2.443 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@@H](COC)c2ccc(Br)cc2)C1 ZINC000837548186 653448427 /nfs/dbraw/zinc/44/84/27/653448427.db2.gz XUNCGKVXLGWKRI-ZBFHGGJFSA-N 1 2 386.286 2.443 20 0 GEADLO O=Cc1cnc2c(Br)cc(C(=O)NCCCCn3cc[nH+]c3)cn12 ZINC000859362018 653450151 /nfs/dbraw/zinc/45/01/51/653450151.db2.gz PASYGRYTPOWVDI-UHFFFAOYSA-N 1 2 390.241 2.316 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1nc(Cl)ccc1Br)NCC1CCC1 ZINC000877009342 653459774 /nfs/dbraw/zinc/45/97/74/653459774.db2.gz XERKEKSODIHSFY-UHFFFAOYSA-N 1 2 396.738 2.307 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000779027374 653465610 /nfs/dbraw/zinc/46/56/10/653465610.db2.gz RJNXXFBWVAOFKA-HSZRJFAPSA-N 1 2 396.354 2.493 20 0 GEADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCCn1cnc(Br)n1 ZINC000813205902 653470268 /nfs/dbraw/zinc/47/02/68/653470268.db2.gz USQABHHMJVTIPT-UHFFFAOYSA-N 1 2 390.241 2.071 20 0 GEADLO NS(=O)(=O)c1cccc(C[NH2+][C@H](CCO)c2ccccc2Br)c1 ZINC000877190921 653471862 /nfs/dbraw/zinc/47/18/62/653471862.db2.gz FBTOPJIXVSKWBN-MRXNPFEDSA-N 1 2 399.310 2.310 20 0 GEADLO COC(=O)[C@@]1([NH2+]CCC(OC)OC)CCc2cc(Br)ccc2C1 ZINC000859621330 653478490 /nfs/dbraw/zinc/47/84/90/653478490.db2.gz SJKXIVFFNJFUQV-QGZVFWFLSA-N 1 2 386.286 2.448 20 0 GEADLO NS(=O)(=O)c1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)ccc1Cl ZINC000877384714 653489041 /nfs/dbraw/zinc/48/90/41/653489041.db2.gz HHTUIVWOFZUMAS-UHFFFAOYSA-N 1 2 380.897 2.471 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000779567405 653501398 /nfs/dbraw/zinc/50/13/98/653501398.db2.gz PDCRNVPFKPLMCA-FZMZJTMJSA-N 1 2 380.242 2.107 20 0 GEADLO C[N@@H+](Cc1cn(C[C@H]2CCOC2)nn1)C[C@@H](O)c1ccccc1Br ZINC000877575772 653612737 /nfs/dbraw/zinc/61/27/37/653612737.db2.gz DFRIQIYASNMIRJ-CXAGYDPISA-N 1 2 395.301 2.243 20 0 GEADLO C[N@H+](Cc1cn(C[C@H]2CCOC2)nn1)C[C@@H](O)c1ccccc1Br ZINC000877575772 653612744 /nfs/dbraw/zinc/61/27/44/653612744.db2.gz DFRIQIYASNMIRJ-CXAGYDPISA-N 1 2 395.301 2.243 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)cc1Br ZINC000877574933 653612899 /nfs/dbraw/zinc/61/28/99/653612899.db2.gz ZSLFAYHPINMJEQ-CYBMUJFWSA-N 1 2 398.301 2.471 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)cc1Br ZINC000877574933 653612902 /nfs/dbraw/zinc/61/29/02/653612902.db2.gz ZSLFAYHPINMJEQ-CYBMUJFWSA-N 1 2 398.301 2.471 20 0 GEADLO C[N@@H+](Cc1cn(C[C@@H]2CCOC2)nn1)C[C@H](O)c1cccc(Br)c1 ZINC000877587365 653613351 /nfs/dbraw/zinc/61/33/51/653613351.db2.gz CFVDLKGFKJXIQE-GUYCJALGSA-N 1 2 395.301 2.243 20 0 GEADLO C[N@H+](Cc1cn(C[C@@H]2CCOC2)nn1)C[C@H](O)c1cccc(Br)c1 ZINC000877587365 653613355 /nfs/dbraw/zinc/61/33/55/653613355.db2.gz CFVDLKGFKJXIQE-GUYCJALGSA-N 1 2 395.301 2.243 20 0 GEADLO CCOP(=O)(CCC[N@@H+]1CCc2sc(S(N)(=O)=O)cc2C1)OCC ZINC000877639636 653614866 /nfs/dbraw/zinc/61/48/66/653614866.db2.gz NRQRMNHMKLRFQU-UHFFFAOYSA-N 1 2 396.471 2.410 20 0 GEADLO CCOP(=O)(CCC[N@H+]1CCc2sc(S(N)(=O)=O)cc2C1)OCC ZINC000877639636 653614868 /nfs/dbraw/zinc/61/48/68/653614868.db2.gz NRQRMNHMKLRFQU-UHFFFAOYSA-N 1 2 396.471 2.410 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000877658461 653615697 /nfs/dbraw/zinc/61/56/97/653615697.db2.gz RVPHXMZNQHAEAE-CQSZACIVSA-N 1 2 379.507 2.321 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)s1 ZINC000877658461 653615699 /nfs/dbraw/zinc/61/56/99/653615699.db2.gz RVPHXMZNQHAEAE-CQSZACIVSA-N 1 2 379.507 2.321 20 0 GEADLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3c(Br)cnn3C)Cc3cccnc3N2C1 ZINC000877687720 653616779 /nfs/dbraw/zinc/61/67/79/653616779.db2.gz LFXOPRBGZVYSDN-ZIAGYGMSSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3c(Br)cnn3C)Cc3cccnc3N2C1 ZINC000877687720 653616784 /nfs/dbraw/zinc/61/67/84/653616784.db2.gz LFXOPRBGZVYSDN-ZIAGYGMSSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@@H]1C[C@H]2C[N@H+](Cc3c(Br)cnn3C)Cc3cccnc3N2C1 ZINC000877687719 653616861 /nfs/dbraw/zinc/61/68/61/653616861.db2.gz LFXOPRBGZVYSDN-UONOGXRCSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@@H]1C[C@H]2C[N@@H+](Cc3c(Br)cnn3C)Cc3cccnc3N2C1 ZINC000877687719 653616866 /nfs/dbraw/zinc/61/68/66/653616866.db2.gz LFXOPRBGZVYSDN-UONOGXRCSA-N 1 2 392.301 2.187 20 0 GEADLO C[C@H](C[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1)NC(=O)OC(C)(C)C ZINC000860099878 653617440 /nfs/dbraw/zinc/61/74/40/653617440.db2.gz JFTZWRDKOSGZJC-GFCCVEGCSA-N 1 2 391.559 2.343 20 0 GEADLO C[C@H](C[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1)NC(=O)OC(C)(C)C ZINC000860099878 653617442 /nfs/dbraw/zinc/61/74/42/653617442.db2.gz JFTZWRDKOSGZJC-GFCCVEGCSA-N 1 2 391.559 2.343 20 0 GEADLO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(OC)c(Br)c3)C2)C1 ZINC000877713392 653617523 /nfs/dbraw/zinc/61/75/23/653617523.db2.gz CLLUHUVVEUVGRZ-INIZCTEOSA-N 1 2 383.242 2.352 20 0 GEADLO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc(OC)c(Br)c3)C2)C1 ZINC000877713392 653617528 /nfs/dbraw/zinc/61/75/28/653617528.db2.gz CLLUHUVVEUVGRZ-INIZCTEOSA-N 1 2 383.242 2.352 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)c[nH+]c12 ZINC000877790727 653620446 /nfs/dbraw/zinc/62/04/46/653620446.db2.gz GNFHZQQSXBPEKQ-CHWSQXEVSA-N 1 2 398.326 2.272 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCN([S@@](C)(=N)=O)CC3)c[nH+]c12 ZINC000877791402 653620702 /nfs/dbraw/zinc/62/07/02/653620702.db2.gz DIVUKSNLMQAJNC-JOCHJYFZSA-N 1 2 386.319 2.114 20 0 GEADLO CSCCCNC(=S)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000780211129 653622303 /nfs/dbraw/zinc/62/23/03/653622303.db2.gz DLMTYRMOPJOBIY-UHFFFAOYSA-N 1 2 380.583 2.390 20 0 GEADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C[C@H](O)c1cc(Br)no1 ZINC000877945967 653624300 /nfs/dbraw/zinc/62/43/00/653624300.db2.gz QALZSLNCBMVPCS-ZDUSSCGKSA-N 1 2 398.257 2.440 20 0 GEADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@H](O)c1cc(Br)no1 ZINC000877945967 653624305 /nfs/dbraw/zinc/62/43/05/653624305.db2.gz QALZSLNCBMVPCS-ZDUSSCGKSA-N 1 2 398.257 2.440 20 0 GEADLO CCOC(=O)C[N@H+](CCc1nnnn1C)[C@@H](C)c1cccc(Br)c1 ZINC000878292515 653633741 /nfs/dbraw/zinc/63/37/41/653633741.db2.gz LOPXCRRMHMTNRO-LBPRGKRZSA-N 1 2 396.289 2.141 20 0 GEADLO CCOC(=O)C[N@@H+](CCc1nnnn1C)[C@@H](C)c1cccc(Br)c1 ZINC000878292515 653633743 /nfs/dbraw/zinc/63/37/43/653633743.db2.gz LOPXCRRMHMTNRO-LBPRGKRZSA-N 1 2 396.289 2.141 20 0 GEADLO CC1(C)CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)CC[N@@H+]1CCO ZINC000780912695 653635785 /nfs/dbraw/zinc/63/57/85/653635785.db2.gz ONBZIQPDAKTPAN-UHFFFAOYSA-N 1 2 389.930 2.027 20 0 GEADLO CC1(C)CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)CC[N@H+]1CCO ZINC000780912695 653635789 /nfs/dbraw/zinc/63/57/89/653635789.db2.gz ONBZIQPDAKTPAN-UHFFFAOYSA-N 1 2 389.930 2.027 20 0 GEADLO O=C(CCc1cncs1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000814586177 653636029 /nfs/dbraw/zinc/63/60/29/653636029.db2.gz ZGYZSIDVGYAYGK-UHFFFAOYSA-N 1 2 379.507 2.025 20 0 GEADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]2CSCCS2)CC1 ZINC000781117091 653638166 /nfs/dbraw/zinc/63/81/66/653638166.db2.gz IMNNHSDWODKAQG-KRWDZBQOSA-N 1 2 379.551 2.138 20 0 GEADLO Cc1ccc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)c(Cl)n1 ZINC000839029050 653640718 /nfs/dbraw/zinc/64/07/18/653640718.db2.gz LHZJNQQKEJMJOT-UHFFFAOYSA-N 1 2 387.864 2.341 20 0 GEADLO Cc1ccc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)c(Cl)n1 ZINC000839029050 653640719 /nfs/dbraw/zinc/64/07/19/653640719.db2.gz LHZJNQQKEJMJOT-UHFFFAOYSA-N 1 2 387.864 2.341 20 0 GEADLO C[N@@H+](Cc1cccc(O)c1Br)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000839123854 653642742 /nfs/dbraw/zinc/64/27/42/653642742.db2.gz WUNBWOKFXSRWDF-LBPRGKRZSA-N 1 2 389.290 2.472 20 0 GEADLO C[N@H+](Cc1cccc(O)c1Br)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000839123854 653642746 /nfs/dbraw/zinc/64/27/46/653642746.db2.gz WUNBWOKFXSRWDF-LBPRGKRZSA-N 1 2 389.290 2.472 20 0 GEADLO Brc1cccnc1C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000878874355 653650171 /nfs/dbraw/zinc/65/01/71/653650171.db2.gz VXEQXKAFTXIMID-AWEZNQCLSA-N 1 2 386.359 2.484 20 0 GEADLO Brc1cccnc1C[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000878874355 653650172 /nfs/dbraw/zinc/65/01/72/653650172.db2.gz VXEQXKAFTXIMID-AWEZNQCLSA-N 1 2 386.359 2.484 20 0 GEADLO CCCS(=O)(=O)CC[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000878875873 653650376 /nfs/dbraw/zinc/65/03/76/653650376.db2.gz OBTUVYLGHAQGNX-CYBMUJFWSA-N 1 2 377.304 2.122 20 0 GEADLO CCCS(=O)(=O)CC[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000878875873 653650380 /nfs/dbraw/zinc/65/03/80/653650380.db2.gz OBTUVYLGHAQGNX-CYBMUJFWSA-N 1 2 377.304 2.122 20 0 GEADLO O=C1NCC2(CC[NH+](Cc3nnc(-c4ccc(Br)o4)o3)CC2)O1 ZINC000781997321 653653275 /nfs/dbraw/zinc/65/32/75/653653275.db2.gz HTDDOUWVYMKWMI-UHFFFAOYSA-N 1 2 383.202 2.167 20 0 GEADLO O=C(Nc1ccc(Br)nc1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000878959462 653653586 /nfs/dbraw/zinc/65/35/86/653653586.db2.gz POIQXTNBJOQHNC-UHFFFAOYSA-N 1 2 391.273 2.026 20 0 GEADLO CC(C)[C@H]([NH2+]CC(=O)N=[S@](C)(=O)N(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000878996430 653654568 /nfs/dbraw/zinc/65/45/68/653654568.db2.gz JGOVXUKPLRYPNH-DXMSMQRWSA-N 1 2 375.922 2.089 20 0 GEADLO NC(=O)[C@@H](F)C1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000879049483 653656775 /nfs/dbraw/zinc/65/67/75/653656775.db2.gz FLLQYDKBUCQWRE-LBPRGKRZSA-N 1 2 387.209 2.128 20 0 GEADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861841454 653668682 /nfs/dbraw/zinc/66/86/82/653668682.db2.gz URDDNXUQUDXQTA-GFCCVEGCSA-N 1 2 379.258 2.076 20 0 GEADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861841454 653668686 /nfs/dbraw/zinc/66/86/86/653668686.db2.gz URDDNXUQUDXQTA-GFCCVEGCSA-N 1 2 379.258 2.076 20 0 GEADLO O=C(CN1C(=O)COc2cc(Br)ccc21)OCCCn1cc[nH+]c1 ZINC000782892805 653671802 /nfs/dbraw/zinc/67/18/02/653671802.db2.gz BLGXDMCGXPGXTC-UHFFFAOYSA-N 1 2 394.225 2.005 20 0 GEADLO COC[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cccc(Br)c1 ZINC000879663651 653678149 /nfs/dbraw/zinc/67/81/49/653678149.db2.gz OMRZXYIOPBFVLM-HNNXBMFYSA-N 1 2 394.269 2.495 20 0 GEADLO CS(=O)(=O)c1ccc(Br)c(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000783481068 653679722 /nfs/dbraw/zinc/67/97/22/653679722.db2.gz YXJNNZCSGJBTJU-UHFFFAOYSA-N 1 2 387.255 2.296 20 0 GEADLO Cc1occc1C(=O)NC1CC[NH+](Cc2cn(C)nc2Br)CC1 ZINC000862239057 653680977 /nfs/dbraw/zinc/68/09/77/653680977.db2.gz TYXFFKFFZFVANK-UHFFFAOYSA-N 1 2 381.274 2.478 20 0 GEADLO CN(C)c1cc[nH+]c(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000783762764 653684236 /nfs/dbraw/zinc/68/42/36/653684236.db2.gz NDPHYXURCQUYOF-UHFFFAOYSA-N 1 2 379.511 2.207 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000840388401 653684497 /nfs/dbraw/zinc/68/44/97/653684497.db2.gz BGKRFVGXHZDGJY-HNNXBMFYSA-N 1 2 381.274 2.100 20 0 GEADLO O=C(OCCCn1cc[nH+]c1)c1ccc2ncc(I)n2c1 ZINC000783998291 653687872 /nfs/dbraw/zinc/68/78/72/653687872.db2.gz OEOCYIBSNRGXQA-UHFFFAOYSA-N 1 2 396.188 2.383 20 0 GEADLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1occc1Br ZINC000816625201 653689117 /nfs/dbraw/zinc/68/91/17/653689117.db2.gz WKKZWFQXEJGTBF-UHFFFAOYSA-N 1 2 389.271 2.200 20 0 GEADLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1occc1Br ZINC000816625201 653689118 /nfs/dbraw/zinc/68/91/18/653689118.db2.gz WKKZWFQXEJGTBF-UHFFFAOYSA-N 1 2 389.271 2.200 20 0 GEADLO O=S1(=O)C[C@@H]2CC[N@@H+](CCc3cc(Cl)c4c(c3)OCCCO4)C[C@H]2C1 ZINC000879938874 653689219 /nfs/dbraw/zinc/68/92/19/653689219.db2.gz GBJRKVZAWDOCSW-GJZGRUSLSA-N 1 2 385.913 2.410 20 0 GEADLO O=S1(=O)C[C@@H]2CC[N@H+](CCc3cc(Cl)c4c(c3)OCCCO4)C[C@H]2C1 ZINC000879938874 653689222 /nfs/dbraw/zinc/68/92/22/653689222.db2.gz GBJRKVZAWDOCSW-GJZGRUSLSA-N 1 2 385.913 2.410 20 0 GEADLO OCC1(CO)CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000879967427 653690314 /nfs/dbraw/zinc/69/03/14/653690314.db2.gz VBVSJISTXGNQHA-UHFFFAOYSA-N 1 2 382.258 2.066 20 0 GEADLO C[C@H](NC(=S)NC[C@H]1CN(C)CC[N@@H+]1C)c1ccc(Br)cc1 ZINC000840729439 653692132 /nfs/dbraw/zinc/69/21/32/653692132.db2.gz ORMXNBRDMFVCFO-WFASDCNBSA-N 1 2 385.375 2.220 20 0 GEADLO C[C@H](NC(=S)NC[C@H]1CN(C)CC[N@H+]1C)c1ccc(Br)cc1 ZINC000840729439 653692135 /nfs/dbraw/zinc/69/21/35/653692135.db2.gz ORMXNBRDMFVCFO-WFASDCNBSA-N 1 2 385.375 2.220 20 0 GEADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2snc(Cl)c2Cl)CC1 ZINC000816837204 653694281 /nfs/dbraw/zinc/69/42/81/653694281.db2.gz MZAFCVGTYVBRCK-UHFFFAOYSA-N 1 2 398.279 2.089 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H](C(F)(F)F)O1 ZINC000880054326 653695251 /nfs/dbraw/zinc/69/52/51/653695251.db2.gz DDBDCJJPBAWSOC-DOMZBBRYSA-N 1 2 380.432 2.479 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H](C(F)(F)F)O1 ZINC000880054326 653695252 /nfs/dbraw/zinc/69/52/52/653695252.db2.gz DDBDCJJPBAWSOC-DOMZBBRYSA-N 1 2 380.432 2.479 20 0 GEADLO CS(=O)(=O)c1ccc(C(=O)OCCCn2cc[nH+]c2)cc1Br ZINC000784486224 653695727 /nfs/dbraw/zinc/69/57/27/653695727.db2.gz LZINFIUQXVGFQH-UHFFFAOYSA-N 1 2 387.255 2.296 20 0 GEADLO CCCS(=O)(=O)CC[NH+]1CCC(Cc2nc(C(=O)OCC)cs2)CC1 ZINC000880263098 653702327 /nfs/dbraw/zinc/70/23/27/653702327.db2.gz GLCAMCXYXBKVPP-UHFFFAOYSA-N 1 2 388.555 2.399 20 0 GEADLO COc1cc(Br)c(C[NH2+]CCS(=O)(=O)C2CC2)c(OC)c1 ZINC000840964761 653704103 /nfs/dbraw/zinc/70/41/03/653704103.db2.gz PNDSRZCBMYKEBF-UHFFFAOYSA-N 1 2 378.288 2.133 20 0 GEADLO Cn1ncc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)c1Br ZINC000817186207 653705705 /nfs/dbraw/zinc/70/57/05/653705705.db2.gz RHERIJWKYBPCIL-UHFFFAOYSA-N 1 2 394.269 2.372 20 0 GEADLO CN(CCOCC[N@H+](C)Cn1ccc(Br)n1)C(=O)OC(C)(C)C ZINC000863306672 653706163 /nfs/dbraw/zinc/70/61/63/653706163.db2.gz HQXAKMKMZLTNIR-UHFFFAOYSA-N 1 2 391.310 2.418 20 0 GEADLO CN(CCOCC[N@@H+](C)Cn1ccc(Br)n1)C(=O)OC(C)(C)C ZINC000863306672 653706164 /nfs/dbraw/zinc/70/61/64/653706164.db2.gz HQXAKMKMZLTNIR-UHFFFAOYSA-N 1 2 391.310 2.418 20 0 GEADLO C[C@H](C[N@H+](C)Cn1cc(I)cn1)NC(=O)OC(C)(C)C ZINC000863333439 653706947 /nfs/dbraw/zinc/70/69/47/653706947.db2.gz SIQSOZPTAZRGGV-SNVBAGLBSA-N 1 2 394.257 2.290 20 0 GEADLO C[C@H](C[N@@H+](C)Cn1cc(I)cn1)NC(=O)OC(C)(C)C ZINC000863333439 653706951 /nfs/dbraw/zinc/70/69/51/653706951.db2.gz SIQSOZPTAZRGGV-SNVBAGLBSA-N 1 2 394.257 2.290 20 0 GEADLO Cc1cc(CNC(=O)C(=O)Nc2ccc(C)c(Br)n2)cc(C)[nH+]1 ZINC000817392530 653710201 /nfs/dbraw/zinc/71/02/01/653710201.db2.gz WDWQXQSFWJNRTE-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)C(F)F)c3)sc2C1 ZINC000817521990 653713327 /nfs/dbraw/zinc/71/33/27/653713327.db2.gz UZCKFDBCQIJPQU-UHFFFAOYSA-N 1 2 387.433 2.380 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)C(F)F)c3)sc2C1 ZINC000817521990 653713329 /nfs/dbraw/zinc/71/33/29/653713329.db2.gz UZCKFDBCQIJPQU-UHFFFAOYSA-N 1 2 387.433 2.380 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1c2c(ccc1Br)OCC2 ZINC000880801135 653714035 /nfs/dbraw/zinc/71/40/35/653714035.db2.gz FTTUKMAJXPZVBM-LLVKDONJSA-N 1 2 384.274 2.226 20 0 GEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C1SCCCS1 ZINC000841386387 653714561 /nfs/dbraw/zinc/71/45/61/653714561.db2.gz LCLOPCROFFKSTI-UHFFFAOYSA-N 1 2 382.551 2.210 20 0 GEADLO C[C@H](Cc1ccccc1)NC(=S)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000786069121 653718392 /nfs/dbraw/zinc/71/83/92/653718392.db2.gz PPFOKMVGCQUFJG-VQIMIIECSA-N 1 2 379.595 2.290 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c(F)cc1Cl ZINC000841508917 653723333 /nfs/dbraw/zinc/72/33/33/653723333.db2.gz HBUPLPVATOMFHA-QWRGUYRKSA-N 1 2 392.880 2.369 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(F)cc1Cl ZINC000841508917 653723335 /nfs/dbraw/zinc/72/33/35/653723335.db2.gz HBUPLPVATOMFHA-QWRGUYRKSA-N 1 2 392.880 2.369 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c(F)cc1Cl ZINC000841508915 653723408 /nfs/dbraw/zinc/72/34/08/653723408.db2.gz HBUPLPVATOMFHA-GHMZBOCLSA-N 1 2 392.880 2.369 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(F)cc1Cl ZINC000841508915 653723409 /nfs/dbraw/zinc/72/34/09/653723409.db2.gz HBUPLPVATOMFHA-GHMZBOCLSA-N 1 2 392.880 2.369 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000864424289 653735692 /nfs/dbraw/zinc/73/56/92/653735692.db2.gz UPSQITSEYXSTPD-RYUDHWBXSA-N 1 2 379.258 2.337 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)[C@H]1C ZINC000787248272 653736026 /nfs/dbraw/zinc/73/60/26/653736026.db2.gz XIPXVCYMCPCEOW-IEVXNVSRSA-N 1 2 385.873 2.009 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)[C@H]1C ZINC000787248272 653736028 /nfs/dbraw/zinc/73/60/28/653736028.db2.gz XIPXVCYMCPCEOW-IEVXNVSRSA-N 1 2 385.873 2.009 20 0 GEADLO CCOC(=O)CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787391080 653738066 /nfs/dbraw/zinc/73/80/66/653738066.db2.gz YAUIUGBDXGUCHS-UHFFFAOYSA-N 1 2 398.301 2.483 20 0 GEADLO Cc1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)cc1I ZINC000864491167 653738763 /nfs/dbraw/zinc/73/87/63/653738763.db2.gz SOXTUBNIVXLZDT-IHWYPQMZSA-N 1 2 386.233 2.427 20 0 GEADLO COc1nc(Br)ccc1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000841701457 653739375 /nfs/dbraw/zinc/73/93/75/653739375.db2.gz RICAGOSTQJYPTE-UHFFFAOYSA-N 1 2 387.278 2.085 20 0 GEADLO CN(C)[C@@H](C(=O)Nc1cc2c(cc1Br)OCCO2)c1c[nH+]cn1C ZINC000864657424 653742884 /nfs/dbraw/zinc/74/28/84/653742884.db2.gz OTNHERNLTYGDSP-OAHLLOKOSA-N 1 2 395.257 2.195 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc(Br)cnc1Br ZINC000842045957 653744264 /nfs/dbraw/zinc/74/42/64/653744264.db2.gz NBYWIOWWKXIZPB-VHSXEESVSA-N 1 2 393.123 2.498 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc(Br)cnc1Br ZINC000842045957 653744265 /nfs/dbraw/zinc/74/42/65/653744265.db2.gz NBYWIOWWKXIZPB-VHSXEESVSA-N 1 2 393.123 2.498 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+]Cc3nc(C)c(Br)s3)C2=O)n(C)n1 ZINC000842149762 653746864 /nfs/dbraw/zinc/74/68/64/653746864.db2.gz DRNLQSZYRJHICJ-SNVBAGLBSA-N 1 2 384.303 2.151 20 0 GEADLO O=C1CCc2cc(OC[C@H](O)C[N@@H+]3CCC=C(Br)C3)ccc2N1 ZINC000842158912 653746904 /nfs/dbraw/zinc/74/69/04/653746904.db2.gz MABLOGYJBOHIFF-CQSZACIVSA-N 1 2 381.270 2.296 20 0 GEADLO O=C1CCc2cc(OC[C@H](O)C[N@H+]3CCC=C(Br)C3)ccc2N1 ZINC000842158912 653746905 /nfs/dbraw/zinc/74/69/05/653746905.db2.gz MABLOGYJBOHIFF-CQSZACIVSA-N 1 2 381.270 2.296 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000788156059 653750992 /nfs/dbraw/zinc/75/09/92/653750992.db2.gz XJVFWCICSTXNKQ-HZMBPMFUSA-N 1 2 386.235 2.315 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000788152862 653751032 /nfs/dbraw/zinc/75/10/32/653751032.db2.gz CBCOAKLNPIEPEL-WFASDCNBSA-N 1 2 394.269 2.182 20 0 GEADLO CC(C)OC[C@@H](O)CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000819475396 653751290 /nfs/dbraw/zinc/75/12/90/653751290.db2.gz NTAVPJROAAQXON-HNNXBMFYSA-N 1 2 386.334 2.399 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(c2ccc3nnc(Br)n3n2)CC1 ZINC000882058026 653759685 /nfs/dbraw/zinc/75/96/85/653759685.db2.gz LZMHJOWBRFYVCJ-UHFFFAOYSA-N 1 2 375.221 2.053 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(c2ccc3nnc(Br)n3n2)CC1 ZINC000882058026 653759686 /nfs/dbraw/zinc/75/96/86/653759686.db2.gz LZMHJOWBRFYVCJ-UHFFFAOYSA-N 1 2 375.221 2.053 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1Cl ZINC000788649635 653761991 /nfs/dbraw/zinc/76/19/91/653761991.db2.gz LFLIUYMUWKSTOD-WPRPVWTQSA-N 1 2 392.930 2.400 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1Cl ZINC000788649635 653761992 /nfs/dbraw/zinc/76/19/92/653761992.db2.gz LFLIUYMUWKSTOD-WPRPVWTQSA-N 1 2 392.930 2.400 20 0 GEADLO C[C@@H](CNC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)[NH+]1CCN(C)CC1 ZINC000788661207 653762563 /nfs/dbraw/zinc/76/25/63/653762563.db2.gz JHWZEJAXNKIKCW-NSHDSACASA-N 1 2 378.826 2.048 20 0 GEADLO OC[C@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1cccc(Br)c1 ZINC000865496635 653766765 /nfs/dbraw/zinc/76/67/65/653766765.db2.gz WPAWGKFKURAQBT-HOTGVXAUSA-N 1 2 381.274 2.043 20 0 GEADLO C[C@@](CO)([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1ccc(Br)cc1 ZINC000865564497 653768611 /nfs/dbraw/zinc/76/86/11/653768611.db2.gz GAHZVNRIVYGDJW-SJORKVTESA-N 1 2 395.301 2.217 20 0 GEADLO C[C@H]1CCN(c2ccc(Br)cc2S(N)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000865611297 653770032 /nfs/dbraw/zinc/77/00/32/653770032.db2.gz IIHWRKLVHAERJL-SMDDNHRTSA-N 1 2 399.314 2.381 20 0 GEADLO O=C(COC(=O)c1nc(Cl)cs1)N1CC[NH+](Cc2cccs2)CC1 ZINC000789217557 653770365 /nfs/dbraw/zinc/77/03/65/653770365.db2.gz AWHQXCHKDIPLBM-UHFFFAOYSA-N 1 2 385.898 2.359 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)/C=C\c2ccc(Br)cc2)C1 ZINC000842881275 653771714 /nfs/dbraw/zinc/77/17/14/653771714.db2.gz LEYZZUGJJHYPDQ-DEBLGDTFSA-N 1 2 377.279 2.383 20 0 GEADLO O=C(OCC1CN(c2cccc[nH+]2)C1)c1sccc1S(=O)(=O)C(F)F ZINC000842890329 653772175 /nfs/dbraw/zinc/77/21/75/653772175.db2.gz IAUNPDGZTFTMNV-UHFFFAOYSA-N 1 2 388.417 2.433 20 0 GEADLO Cc1cc(CNS(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)cc(C)[nH+]1 ZINC000882271423 653774083 /nfs/dbraw/zinc/77/40/83/653774083.db2.gz WKAQAWGWXGYWQW-XMMPIXPASA-N 1 2 382.511 2.037 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(F)c(Cl)c1 ZINC000842963301 653774868 /nfs/dbraw/zinc/77/48/68/653774868.db2.gz KPOXJFVKOBLZBG-TZMCWYRMSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(F)c(Cl)c1 ZINC000842963301 653774869 /nfs/dbraw/zinc/77/48/69/653774869.db2.gz KPOXJFVKOBLZBG-TZMCWYRMSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)Cc1sccc1Br ZINC000842965671 653775369 /nfs/dbraw/zinc/77/53/69/653775369.db2.gz NWFWAJMNMKLBKC-VXGBXAGGSA-N 1 2 392.315 2.332 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)Cc1sccc1Br ZINC000842965671 653775370 /nfs/dbraw/zinc/77/53/70/653775370.db2.gz NWFWAJMNMKLBKC-VXGBXAGGSA-N 1 2 392.315 2.332 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)/C=C\c1ccc(Br)o1 ZINC000842965466 653775374 /nfs/dbraw/zinc/77/53/74/653775374.db2.gz OLPIAMIFGXKCEO-LJXYTEIVSA-N 1 2 388.258 2.334 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)/C=C\c1ccc(Br)o1 ZINC000842965466 653775376 /nfs/dbraw/zinc/77/53/76/653775376.db2.gz OLPIAMIFGXKCEO-LJXYTEIVSA-N 1 2 388.258 2.334 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cccc(Br)c1F ZINC000842970154 653775806 /nfs/dbraw/zinc/77/58/06/653775806.db2.gz YMVHVGUBRBMSTD-NEPJUHHUSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cccc(Br)c1F ZINC000842970154 653775809 /nfs/dbraw/zinc/77/58/09/653775809.db2.gz YMVHVGUBRBMSTD-NEPJUHHUSA-N 1 2 390.249 2.481 20 0 GEADLO CN(C)C(=O)c1ccccc1C[NH2+]Cc1c(I)cnn1C ZINC000865867773 653777919 /nfs/dbraw/zinc/77/79/19/653777919.db2.gz BXZJVMISUJJMLJ-UHFFFAOYSA-N 1 2 398.248 2.016 20 0 GEADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccccc2SC(F)F)[nH+]1 ZINC000789598982 653778626 /nfs/dbraw/zinc/77/86/26/653778626.db2.gz KCSCVXONSINNQM-UHFFFAOYSA-N 1 2 388.787 2.308 20 0 GEADLO CC[NH2+]Cc1noc(CCCN2C(=O)c3ccc(Br)cc3C2=O)n1 ZINC000843141962 653780409 /nfs/dbraw/zinc/78/04/09/653780409.db2.gz ADSNIELJEOFECR-UHFFFAOYSA-N 1 2 393.241 2.170 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C3(Br)CC3)C2)cc(OC)c1 ZINC000820751137 653781902 /nfs/dbraw/zinc/78/19/02/653781902.db2.gz KDFDUUZNTUYAHT-ZDUSSCGKSA-N 1 2 383.286 2.322 20 0 GEADLO COc1cc(C[N@H+]2CC[C@H](NC(=O)C3(Br)CC3)C2)cc(OC)c1 ZINC000820751137 653781904 /nfs/dbraw/zinc/78/19/04/653781904.db2.gz KDFDUUZNTUYAHT-ZDUSSCGKSA-N 1 2 383.286 2.322 20 0 GEADLO Cc1cc(Cc2noc([C@@H]([NH3+])CCS(C)(=O)=O)n2)ccc1Br ZINC000843234983 653782026 /nfs/dbraw/zinc/78/20/26/653782026.db2.gz ZTZUQTIYWUUMDN-LBPRGKRZSA-N 1 2 388.287 2.166 20 0 GEADLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2cccc3scnc32)C[C@@H](C)O1 ZINC000820782501 653782763 /nfs/dbraw/zinc/78/27/63/653782763.db2.gz MRJWIWPBHBUOKB-CHWSQXEVSA-N 1 2 383.539 2.462 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000843433486 653787042 /nfs/dbraw/zinc/78/70/42/653787042.db2.gz BAEIXJSDYOIKKP-GXSJLCMTSA-N 1 2 385.283 2.415 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000843433486 653787044 /nfs/dbraw/zinc/78/70/44/653787044.db2.gz BAEIXJSDYOIKKP-GXSJLCMTSA-N 1 2 385.283 2.415 20 0 GEADLO CCn1ncc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1Br ZINC000820975520 653787835 /nfs/dbraw/zinc/78/78/35/653787835.db2.gz RBIOWWXDGAZGSI-KGLIPLIRSA-N 1 2 385.306 2.039 20 0 GEADLO C[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)Oc1cccc(Br)c1 ZINC000866169628 653787846 /nfs/dbraw/zinc/78/78/46/653787846.db2.gz YRRFPTGGNVHZFV-JHAQOBCDSA-N 1 2 383.286 2.221 20 0 GEADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000866204446 653788817 /nfs/dbraw/zinc/78/88/17/653788817.db2.gz DBWMTDYJSZXEMT-KBPBESRZSA-N 1 2 397.216 2.411 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)nc1F ZINC000866526848 653800851 /nfs/dbraw/zinc/80/08/51/653800851.db2.gz QACQXWVVEUOYEE-UHFFFAOYSA-N 1 2 384.864 2.212 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Nc1cc(Br)nn1C ZINC000821564979 653801187 /nfs/dbraw/zinc/80/11/87/653801187.db2.gz YXXZXQHBTVGHGJ-UHFFFAOYSA-N 1 2 395.261 2.367 20 0 GEADLO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000866545993 653801575 /nfs/dbraw/zinc/80/15/75/653801575.db2.gz RHDKMFKCJJMTEI-NRSFXHEJSA-N 1 2 391.309 2.268 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844146094 653802554 /nfs/dbraw/zinc/80/25/54/653802554.db2.gz HNTAFKPRAQZAKK-XJKSGUPXSA-N 1 2 378.270 2.400 20 0 GEADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(S(N)(=O)=O)s1 ZINC000791355307 653810443 /nfs/dbraw/zinc/81/04/43/653810443.db2.gz PHTLNGABTBNAKC-UHFFFAOYSA-N 1 2 377.447 2.247 20 0 GEADLO COCc1cc[nH+]c(NCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)c1 ZINC000844707045 653815188 /nfs/dbraw/zinc/81/51/88/653815188.db2.gz HOJXNJJYRRXXJE-ZDUSSCGKSA-N 1 2 384.889 2.358 20 0 GEADLO Cn1ncc(I)c1C[NH2+][C@@H](CCO)c1ccccc1F ZINC000895086277 653816699 /nfs/dbraw/zinc/81/66/99/653816699.db2.gz UPMHCXAKCZELBS-ZDUSSCGKSA-N 1 2 389.212 2.377 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1F ZINC000866750802 653819184 /nfs/dbraw/zinc/81/91/84/653819184.db2.gz QQRXOUXJFBBKBS-JBEBIEQOSA-N 1 2 389.518 2.087 20 0 GEADLO CSc1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1C ZINC000844841218 653822422 /nfs/dbraw/zinc/82/24/22/653822422.db2.gz JKHOCXSWTJBJKV-UHFFFAOYSA-N 1 2 385.555 2.347 20 0 GEADLO Cn1cc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)c(I)n1 ZINC000895229942 653823943 /nfs/dbraw/zinc/82/39/43/653823943.db2.gz ZEIHYTUSFAAYHZ-UHFFFAOYSA-N 1 2 397.142 2.123 20 0 GEADLO C[C@@H](Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000895246103 653824640 /nfs/dbraw/zinc/82/46/40/653824640.db2.gz LEQFMSJHMDQPCK-ZWNOBZJWSA-N 1 2 383.411 2.165 20 0 GEADLO C[C@@H](Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F)[C@H]1C[N@@H+](C)CCN1C ZINC000895246103 653824642 /nfs/dbraw/zinc/82/46/42/653824642.db2.gz LEQFMSJHMDQPCK-ZWNOBZJWSA-N 1 2 383.411 2.165 20 0 GEADLO C[C@H](C(=O)NCCc1cn(C)c[nH+]1)c1ccc(I)cc1 ZINC000822365221 653825412 /nfs/dbraw/zinc/82/54/12/653825412.db2.gz QGNZRVKKILQFSQ-NSHDSACASA-N 1 2 383.233 2.487 20 0 GEADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc[nH+]c(N)c2)c1Cl ZINC000791996594 653831327 /nfs/dbraw/zinc/83/13/27/653831327.db2.gz YCKQYJQMQNOEKF-UHFFFAOYSA-N 1 2 390.248 2.236 20 0 GEADLO Cc1ccc(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c(Cl)n1 ZINC000883184482 653831659 /nfs/dbraw/zinc/83/16/59/653831659.db2.gz YEIVUYKYMFLLDI-QGZVFWFLSA-N 1 2 384.933 2.051 20 0 GEADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N(CCO)Cc1cccnc1Cl ZINC000822606695 653833558 /nfs/dbraw/zinc/83/35/58/653833558.db2.gz KXPINALJRKOLRK-GFCCVEGCSA-N 1 2 376.766 2.446 20 0 GEADLO C[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1ccc(Br)c(Cl)c1 ZINC000883304929 653835135 /nfs/dbraw/zinc/83/51/35/653835135.db2.gz KOCWCJPPEDUHCE-QMMMGPOBSA-N 1 2 384.665 2.288 20 0 GEADLO CC[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cc(F)cc(Br)c1 ZINC000883304569 653835173 /nfs/dbraw/zinc/83/51/73/653835173.db2.gz ZTBCDLNVERIFJT-GFCCVEGCSA-N 1 2 382.237 2.164 20 0 GEADLO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000792133915 653835666 /nfs/dbraw/zinc/83/56/66/653835666.db2.gz REYHTWUTECTTSD-INIZCTEOSA-N 1 2 375.222 2.437 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(N(C)CC(F)F)CC2)s1 ZINC000822755959 653839083 /nfs/dbraw/zinc/83/90/83/653839083.db2.gz OGAASPNAIPBEOV-UHFFFAOYSA-N 1 2 381.514 2.160 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(CN2CCC([N@H+](C)CC(F)F)CC2)s1 ZINC000822755959 653839086 /nfs/dbraw/zinc/83/90/86/653839086.db2.gz OGAASPNAIPBEOV-UHFFFAOYSA-N 1 2 381.514 2.160 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(CN2CCC([N@@H+](C)CC(F)F)CC2)s1 ZINC000822755959 653839088 /nfs/dbraw/zinc/83/90/88/653839088.db2.gz OGAASPNAIPBEOV-UHFFFAOYSA-N 1 2 381.514 2.160 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCCn2cc(Br)cn2)cc1 ZINC000822894691 653845245 /nfs/dbraw/zinc/84/52/45/653845245.db2.gz FNBVCUGIXHOSEX-INIZCTEOSA-N 1 2 393.285 2.045 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCCn2cc(Br)cn2)cc1 ZINC000822894691 653845253 /nfs/dbraw/zinc/84/52/53/653845253.db2.gz FNBVCUGIXHOSEX-INIZCTEOSA-N 1 2 393.285 2.045 20 0 GEADLO CC(C)(C)OC(=O)NCc1cn(C2C[NH+](C[C@H]3CC3(Cl)Cl)C2)nn1 ZINC000895702871 653846700 /nfs/dbraw/zinc/84/67/00/653846700.db2.gz WUBJVWKLTVIZKT-SNVBAGLBSA-N 1 2 376.288 2.353 20 0 GEADLO NC(=O)Cc1cccc2c1CC[N@H+](Cc1ncc(Br)cc1O)C2 ZINC000895745087 653848421 /nfs/dbraw/zinc/84/84/21/653848421.db2.gz LYSDPHMQGWXCEE-UHFFFAOYSA-N 1 2 376.254 2.136 20 0 GEADLO NC(=O)Cc1cccc2c1CC[N@@H+](Cc1ncc(Br)cc1O)C2 ZINC000895745087 653848425 /nfs/dbraw/zinc/84/84/25/653848425.db2.gz LYSDPHMQGWXCEE-UHFFFAOYSA-N 1 2 376.254 2.136 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000866931144 653851398 /nfs/dbraw/zinc/85/13/98/653851398.db2.gz ZKGFSOPWRIPWJE-RDJZCZTQSA-N 1 2 387.571 2.382 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000866931144 653851399 /nfs/dbraw/zinc/85/13/99/653851399.db2.gz ZKGFSOPWRIPWJE-RDJZCZTQSA-N 1 2 387.571 2.382 20 0 GEADLO O=C1NCCN1CC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000895815259 653851431 /nfs/dbraw/zinc/85/14/31/653851431.db2.gz ZEJZXJNPJKILFF-UHFFFAOYSA-N 1 2 393.079 2.032 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895846927 653852589 /nfs/dbraw/zinc/85/25/89/653852589.db2.gz RXSYYJVAPNYJKV-IIAWOOMASA-N 1 2 387.933 2.205 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895846927 653852592 /nfs/dbraw/zinc/85/25/92/653852592.db2.gz RXSYYJVAPNYJKV-IIAWOOMASA-N 1 2 387.933 2.205 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)C(=O)N1CCCCC1 ZINC000792895586 653854902 /nfs/dbraw/zinc/85/49/02/653854902.db2.gz AZDJGKPFMFSBKP-HEHGZKQESA-N 1 2 376.328 2.019 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)C(=O)N1CCCCC1 ZINC000792895586 653854903 /nfs/dbraw/zinc/85/49/03/653854903.db2.gz AZDJGKPFMFSBKP-HEHGZKQESA-N 1 2 376.328 2.019 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000867014709 653866115 /nfs/dbraw/zinc/86/61/15/653866115.db2.gz KGDDSKSHFUNFTC-SECBINFHSA-N 1 2 383.886 2.256 20 0 GEADLO CN(CC(=O)OCCc1c[nH+]cn1C)C(=O)c1ccc(Br)s1 ZINC000793254632 653872626 /nfs/dbraw/zinc/87/26/26/653872626.db2.gz VXNDAJLSTOACAW-UHFFFAOYSA-N 1 2 386.271 2.102 20 0 GEADLO COC(=O)N[C@H]1CC[N@H+](CN2CC[C@@H](c3cccc(Br)c3)C2=O)C1 ZINC000884484182 653878329 /nfs/dbraw/zinc/87/83/29/653878329.db2.gz KXESQNNKESGCKV-GJZGRUSLSA-N 1 2 396.285 2.153 20 0 GEADLO COC(=O)N[C@H]1CC[N@@H+](CN2CC[C@@H](c3cccc(Br)c3)C2=O)C1 ZINC000884484182 653878331 /nfs/dbraw/zinc/87/83/31/653878331.db2.gz KXESQNNKESGCKV-GJZGRUSLSA-N 1 2 396.285 2.153 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc2ccc(Br)cc2c(=O)[nH]1 ZINC000884505431 653879379 /nfs/dbraw/zinc/87/93/79/653879379.db2.gz HLPOIMFWEVWPIH-AAEUAGOBSA-N 1 2 393.285 2.397 20 0 GEADLO COCC[N@H+](C)CCNS(=O)(=O)c1oc2ccccc2c1Br ZINC000867145851 653886343 /nfs/dbraw/zinc/88/63/43/653886343.db2.gz JTJYLBRMGKKFPM-UHFFFAOYSA-N 1 2 391.287 2.052 20 0 GEADLO COCC[N@@H+](C)CCNS(=O)(=O)c1oc2ccccc2c1Br ZINC000867145851 653886348 /nfs/dbraw/zinc/88/63/48/653886348.db2.gz JTJYLBRMGKKFPM-UHFFFAOYSA-N 1 2 391.287 2.052 20 0 GEADLO CC[C@](O)(CCC(F)(F)F)CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000896597555 653887080 /nfs/dbraw/zinc/88/70/80/653887080.db2.gz SVWBELXYVQTCIB-AWEZNQCLSA-N 1 2 382.452 2.488 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H](O)c1ccccc1Br ZINC000846252795 653893490 /nfs/dbraw/zinc/89/34/90/653893490.db2.gz DFTCRKQEEJUOJU-HNNXBMFYSA-N 1 2 378.270 2.374 20 0 GEADLO C[C@@H]1CN(c2[nH+]ccc3cc(Br)ccc32)C[C@H]1CS(N)(=O)=O ZINC000896894054 653898692 /nfs/dbraw/zinc/89/86/92/653898692.db2.gz GISJCGUMJVLEFF-PWSUYJOCSA-N 1 2 384.299 2.358 20 0 GEADLO COc1cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)cc(I)c1OC ZINC000897684423 653933108 /nfs/dbraw/zinc/93/31/08/653933108.db2.gz OISHTFQVMZPOJT-SKDRFNHKSA-N 1 2 377.222 2.121 20 0 GEADLO O=C(c1csc(I)n1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000824829130 653909702 /nfs/dbraw/zinc/90/97/02/653909702.db2.gz FZBRGTUZMAGICP-UHFFFAOYSA-N 1 2 388.234 2.491 20 0 GEADLO O=C1[C@H](N2CC[NH+](CC3(Br)CC3)CC2)CCN1c1ccccc1 ZINC000846804063 653910616 /nfs/dbraw/zinc/91/06/16/653910616.db2.gz HTCJSFPWIXVRRF-MRXNPFEDSA-N 1 2 378.314 2.337 20 0 GEADLO Cn1ncc(C[N@@H+]2CCn3ncc(I)c3C2)c1C1CC1 ZINC000897289390 653914700 /nfs/dbraw/zinc/91/47/00/653914700.db2.gz UMWJJZCBEIQLJV-UHFFFAOYSA-N 1 2 383.237 2.114 20 0 GEADLO Cn1ncc(C[N@H+]2CCn3ncc(I)c3C2)c1C1CC1 ZINC000897289390 653914704 /nfs/dbraw/zinc/91/47/04/653914704.db2.gz UMWJJZCBEIQLJV-UHFFFAOYSA-N 1 2 383.237 2.114 20 0 GEADLO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794816010 653921471 /nfs/dbraw/zinc/92/14/71/653921471.db2.gz IZKJKOLAZHKTQP-MRVPVSSYSA-N 1 2 383.297 2.443 20 0 GEADLO Cn1nc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1Br ZINC000825290289 653924119 /nfs/dbraw/zinc/92/41/19/653924119.db2.gz UCHNIBXNLRSDJP-UHFFFAOYSA-N 1 2 378.274 2.498 20 0 GEADLO CN1CC[NH+](CCCS(=O)(=O)Oc2cc(C(F)(F)F)ccc2F)CC1 ZINC000867406263 653928542 /nfs/dbraw/zinc/92/85/42/653928542.db2.gz GAJJYYTWDRQSJU-UHFFFAOYSA-N 1 2 384.395 2.191 20 0 GEADLO O=C(c1cnc(F)c(Br)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000847480058 653930510 /nfs/dbraw/zinc/93/05/10/653930510.db2.gz IOEXETOILHGXLX-CYBMUJFWSA-N 1 2 386.265 2.310 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)s1 ZINC000897614062 653930533 /nfs/dbraw/zinc/93/05/33/653930533.db2.gz MIMIDOSFWWUJIX-VIFPVBQESA-N 1 2 392.428 2.194 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)s1 ZINC000897614062 653930534 /nfs/dbraw/zinc/93/05/34/653930534.db2.gz MIMIDOSFWWUJIX-VIFPVBQESA-N 1 2 392.428 2.194 20 0 GEADLO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)cc(I)c1OC ZINC000897684423 653933104 /nfs/dbraw/zinc/93/31/04/653933104.db2.gz OISHTFQVMZPOJT-SKDRFNHKSA-N 1 2 377.222 2.121 20 0 GEADLO CCOC(=O)C1([C@@H](C)[NH2+]Cc2ncc(Br)cc2O)CCOCC1 ZINC000897738031 653935244 /nfs/dbraw/zinc/93/52/44/653935244.db2.gz YAPJHLUQHVUYEF-LLVKDONJSA-N 1 2 387.274 2.388 20 0 GEADLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1nc(F)ccc1Br ZINC000847581622 653935694 /nfs/dbraw/zinc/93/56/94/653935694.db2.gz LAMDQEXOOJBNKD-OLZOCXBDSA-N 1 2 386.265 2.356 20 0 GEADLO COC(=O)c1sccc1C[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897978015 653947357 /nfs/dbraw/zinc/94/73/57/653947357.db2.gz KIKYQGLCBNUTSW-NSHDSACASA-N 1 2 396.266 2.345 20 0 GEADLO Cc1cc(CNC(=O)C(=O)NCCc2sccc2Br)cc(C)[nH+]1 ZINC000898091207 653953560 /nfs/dbraw/zinc/95/35/60/653953560.db2.gz YGOCWLADRPOOEC-UHFFFAOYSA-N 1 2 396.310 2.498 20 0 GEADLO C[C@@H](NC(=O)c1ccc(C(F)(F)Br)nc1)[C@H](C)[NH+]1CCOCC1 ZINC000826571965 653953634 /nfs/dbraw/zinc/95/36/34/653953634.db2.gz MOHBEPLSYQXAPQ-MNOVXSKESA-N 1 2 392.244 2.365 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(Cl)c(Cl)nc1C)C2 ZINC000848057368 653957489 /nfs/dbraw/zinc/95/74/89/653957489.db2.gz UIPPINNVWSYUGK-NSHDSACASA-N 1 2 383.279 2.481 20 0 GEADLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cn1c(=O)oc2cc(Br)ccc21 ZINC000795690092 653962951 /nfs/dbraw/zinc/96/29/51/653962951.db2.gz JLXMXLADHNFCAP-TZMCWYRMSA-N 1 2 396.285 2.110 20 0 GEADLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cn1c(=O)oc2cc(Br)ccc21 ZINC000795690092 653962955 /nfs/dbraw/zinc/96/29/55/653962955.db2.gz JLXMXLADHNFCAP-TZMCWYRMSA-N 1 2 396.285 2.110 20 0 GEADLO CO[C@@H](C)C[N@H+](C)Cn1c2ccc(I)cc2oc1=O ZINC000795744953 653965069 /nfs/dbraw/zinc/96/50/69/653965069.db2.gz AYTBENYKFPULNL-VIFPVBQESA-N 1 2 376.194 2.123 20 0 GEADLO CO[C@@H](C)C[N@@H+](C)Cn1c2ccc(I)cc2oc1=O ZINC000795744953 653965073 /nfs/dbraw/zinc/96/50/73/653965073.db2.gz AYTBENYKFPULNL-VIFPVBQESA-N 1 2 376.194 2.123 20 0 GEADLO CO[C@@H](C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000795749078 653965096 /nfs/dbraw/zinc/96/50/96/653965096.db2.gz FAFVKSGTGLAZCH-XPTSAGLGSA-N 1 2 390.303 2.202 20 0 GEADLO CO[C@@H](C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000795749078 653965098 /nfs/dbraw/zinc/96/50/98/653965098.db2.gz FAFVKSGTGLAZCH-XPTSAGLGSA-N 1 2 390.303 2.202 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1nc(Cl)sc1Cl ZINC000848221145 653965222 /nfs/dbraw/zinc/96/52/22/653965222.db2.gz PSSDTAWZVPSGBG-UHFFFAOYSA-N 1 2 380.297 2.061 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(-c3cccnc3)cc2Cl)C1 ZINC000867633639 653965534 /nfs/dbraw/zinc/96/55/34/653965534.db2.gz YJONYBOFTGSSBF-HNNXBMFYSA-N 1 2 382.869 2.441 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(-c3cccnc3)cc2Cl)C1 ZINC000867633639 653965535 /nfs/dbraw/zinc/96/55/35/653965535.db2.gz YJONYBOFTGSSBF-HNNXBMFYSA-N 1 2 382.869 2.441 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCCNc2cccc[nH+]2)c(F)cc1Cl ZINC000795880916 653974740 /nfs/dbraw/zinc/97/47/40/653974740.db2.gz LFGRBOUBDKZITN-UHFFFAOYSA-N 1 2 387.820 2.051 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)C[C@@H]1C ZINC000795903893 653976622 /nfs/dbraw/zinc/97/66/22/653976622.db2.gz PFBHZJAYHPKYBZ-WDEREUQCSA-N 1 2 392.880 2.369 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)C[C@@H]1C ZINC000795903893 653976624 /nfs/dbraw/zinc/97/66/24/653976624.db2.gz PFBHZJAYHPKYBZ-WDEREUQCSA-N 1 2 392.880 2.369 20 0 GEADLO Oc1cccc(C[NH+]2CCC(n3nncc3I)CC2)c1 ZINC000827280228 653984075 /nfs/dbraw/zinc/98/40/75/653984075.db2.gz DPXYUXIBIPPEMV-UHFFFAOYSA-N 1 2 384.221 2.425 20 0 GEADLO CC(C)(C)n1ncc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1I ZINC000898811933 653987303 /nfs/dbraw/zinc/98/73/03/653987303.db2.gz YGTLQYFHYUHQBD-JTQLQIEISA-N 1 2 399.236 2.314 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CCCOc1ccccc1Br ZINC000898882824 653990553 /nfs/dbraw/zinc/99/05/53/653990553.db2.gz DLZSKNSXJYQKED-ZDUSSCGKSA-N 1 2 382.258 2.191 20 0 GEADLO CC(C)Oc1cc(Br)cc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)c1 ZINC000898885515 653990630 /nfs/dbraw/zinc/99/06/30/653990630.db2.gz AARVFEXYQFJIDK-AWEZNQCLSA-N 1 2 382.258 2.433 20 0 GEADLO Cc1cc(C)c(C(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1I ZINC000898896831 653991315 /nfs/dbraw/zinc/99/13/15/653991315.db2.gz WZHOEPYBUOMDOK-ZDUSSCGKSA-N 1 2 399.232 2.105 20 0 GEADLO CC(C)(CNC(=O)COc1cccc(I)c1)n1cc[nH+]c1 ZINC000898906887 653991692 /nfs/dbraw/zinc/99/16/92/653991692.db2.gz JKSSEUWVULHVRH-UHFFFAOYSA-N 1 2 399.232 2.418 20 0 GEADLO OCCOCC1(O)CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000886751052 653998001 /nfs/dbraw/zinc/99/80/01/653998001.db2.gz GMQVVELULLTMJI-UHFFFAOYSA-N 1 2 378.694 2.438 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)C1(c2ccccc2Br)CC1 ZINC000899062724 653997983 /nfs/dbraw/zinc/99/79/83/653997983.db2.gz YGNBUDUAHRMECJ-UHFFFAOYSA-N 1 2 395.297 2.046 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)C1(c2ccccc2Br)CC1 ZINC000899062724 653997985 /nfs/dbraw/zinc/99/79/85/653997985.db2.gz YGNBUDUAHRMECJ-UHFFFAOYSA-N 1 2 395.297 2.046 20 0 GEADLO Cn1c(Cl)cnc1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000796468710 653998777 /nfs/dbraw/zinc/99/87/77/653998777.db2.gz DJCXXONTLZOBFR-UHFFFAOYSA-N 1 2 397.715 2.448 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886809346 654001009 /nfs/dbraw/zinc/00/10/09/654001009.db2.gz ZMHJEBMETRMNFG-HNNXBMFYSA-N 1 2 381.416 2.106 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886809346 654001014 /nfs/dbraw/zinc/00/10/14/654001014.db2.gz ZMHJEBMETRMNFG-HNNXBMFYSA-N 1 2 381.416 2.106 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000867875370 654002216 /nfs/dbraw/zinc/00/22/16/654002216.db2.gz FOSANWOKFATVNK-OUGHUQCRSA-N 1 2 394.313 2.032 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000899180100 654002829 /nfs/dbraw/zinc/00/28/29/654002829.db2.gz SVOCZSUQDUCAOR-GFCCVEGCSA-N 1 2 396.232 2.239 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000899180100 654002837 /nfs/dbraw/zinc/00/28/37/654002837.db2.gz SVOCZSUQDUCAOR-GFCCVEGCSA-N 1 2 396.232 2.239 20 0 GEADLO C/C(=C\C(=O)NC1(c2ncc(Br)cn2)CCC1)C[NH+]1CCOCC1 ZINC000886842155 654004896 /nfs/dbraw/zinc/00/48/96/654004896.db2.gz JKMSVOSJKIWGNH-UKTHLTGXSA-N 1 2 395.301 2.013 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)NCc1nc2cc(Br)ccc2o1 ZINC000868373974 654032770 /nfs/dbraw/zinc/03/27/70/654032770.db2.gz XITKDCAWZKPKES-UPHRSURJSA-N 1 2 380.242 2.095 20 0 GEADLO CC1=C(Br)C[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000797528965 654035065 /nfs/dbraw/zinc/03/50/65/654035065.db2.gz BVODOIMOHFOVKI-CQSZACIVSA-N 1 2 394.269 2.239 20 0 GEADLO CC1=C(Br)C[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000797528965 654035072 /nfs/dbraw/zinc/03/50/72/654035072.db2.gz BVODOIMOHFOVKI-CQSZACIVSA-N 1 2 394.269 2.239 20 0 GEADLO [NH3+][C@H](c1nc(C[C@H]2CCCO2)no1)c1ccccc1I ZINC000899997719 654046450 /nfs/dbraw/zinc/04/64/50/654046450.db2.gz FCWUSRFRVUHVIB-RNCFNFMXSA-N 1 2 385.205 2.444 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CCO1 ZINC000798108449 654050750 /nfs/dbraw/zinc/05/07/50/654050750.db2.gz XCPRKBHVFPYNNS-UHOFOFEASA-N 1 2 382.302 2.325 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CCO1 ZINC000798108449 654050753 /nfs/dbraw/zinc/05/07/53/654050753.db2.gz XCPRKBHVFPYNNS-UHOFOFEASA-N 1 2 382.302 2.325 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@H]2COc3cccc(Br)c3C2)c1 ZINC000868693427 654050757 /nfs/dbraw/zinc/05/07/57/654050757.db2.gz OFDHOVRJTLJYGL-GFCCVEGCSA-N 1 2 379.258 2.028 20 0 GEADLO Cn1cc(Br)c(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1=O ZINC000828981168 654056905 /nfs/dbraw/zinc/05/69/05/654056905.db2.gz VQWYVSDHESNAIM-HNNXBMFYSA-N 1 2 394.244 2.074 20 0 GEADLO C[C@@H]1CN(c2cc(Br)cnc2Br)C[C@H](C)[N@H+]1CCO ZINC000829019340 654057856 /nfs/dbraw/zinc/05/78/56/654057856.db2.gz FURIDMGLCWMHJA-AOOOYVTPSA-N 1 2 393.123 2.498 20 0 GEADLO C[C@@H]1CN(c2cc(Br)cnc2Br)C[C@H](C)[N@@H+]1CCO ZINC000829019340 654057859 /nfs/dbraw/zinc/05/78/59/654057859.db2.gz FURIDMGLCWMHJA-AOOOYVTPSA-N 1 2 393.123 2.498 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(SC(F)(F)F)o2)CC1 ZINC000868862799 654059408 /nfs/dbraw/zinc/05/94/08/654059408.db2.gz PEPANUAXFITNEJ-UHFFFAOYSA-N 1 2 382.404 2.311 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)[C@]2(C)CC2(Br)Br)CCO1 ZINC000849965492 654063041 /nfs/dbraw/zinc/06/30/41/654063041.db2.gz AYMRFXHGKJPDLL-KOLCDFICSA-N 1 2 385.096 2.146 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)[C@]2(C)CC2(Br)Br)CCO1 ZINC000849965492 654063047 /nfs/dbraw/zinc/06/30/47/654063047.db2.gz AYMRFXHGKJPDLL-KOLCDFICSA-N 1 2 385.096 2.146 20 0 GEADLO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000900564495 654070008 /nfs/dbraw/zinc/07/00/08/654070008.db2.gz XCCPFWKZQOAXDA-LBPRGKRZSA-N 1 2 382.251 2.178 20 0 GEADLO C[NH+](C)[C@H](C(=O)OCc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccccc1 ZINC000798648903 654071948 /nfs/dbraw/zinc/07/19/48/654071948.db2.gz NZCHEZKMVXUZHQ-INIZCTEOSA-N 1 2 382.869 2.334 20 0 GEADLO O[C@@H](CNc1cc(N2CCOCC2)nc[nH+]1)c1ccccc1Br ZINC000829584766 654073419 /nfs/dbraw/zinc/07/34/19/654073419.db2.gz NMADPOKDQNMGJL-AWEZNQCLSA-N 1 2 379.258 2.221 20 0 GEADLO O[C@@H](CNc1cc(N2CCOCC2)[nH+]cn1)c1ccccc1Br ZINC000829584766 654073423 /nfs/dbraw/zinc/07/34/23/654073423.db2.gz NMADPOKDQNMGJL-AWEZNQCLSA-N 1 2 379.258 2.221 20 0 GEADLO COc1ccccc1[C@@H](CNS(=O)(=O)c1c[nH]nc1Cl)[NH+]1CCCC1 ZINC000829724672 654077982 /nfs/dbraw/zinc/07/79/82/654077982.db2.gz TWCQJZRSMMREGK-CYBMUJFWSA-N 1 2 384.889 2.187 20 0 GEADLO Cc1c([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)nnn1-c1ccccc1 ZINC000850518464 654081147 /nfs/dbraw/zinc/08/11/47/654081147.db2.gz ACLLPKBGHYHIKR-LLVKDONJSA-N 1 2 376.404 2.203 20 0 GEADLO Cc1c([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)nnn1-c1ccccc1 ZINC000850518467 654081216 /nfs/dbraw/zinc/08/12/16/654081216.db2.gz ACLLPKBGHYHIKR-NSHDSACASA-N 1 2 376.404 2.203 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000850588069 654083832 /nfs/dbraw/zinc/08/38/32/654083832.db2.gz RZJVVVISGPPTOU-NSHDSACASA-N 1 2 387.221 2.005 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799120470 654084723 /nfs/dbraw/zinc/08/47/23/654084723.db2.gz LGZDCZXECVLCNA-JKSUJKDBSA-N 1 2 394.313 2.323 20 0 GEADLO O=C(NCC1CC[NH+](Cn2c(=O)sc3c2CCCC3)CC1)C(F)(F)F ZINC000799140474 654085689 /nfs/dbraw/zinc/08/56/89/654085689.db2.gz ZLRCEQAGWDPPPH-UHFFFAOYSA-N 1 2 377.432 2.137 20 0 GEADLO Cn1cc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Br)n1 ZINC000869412641 654094728 /nfs/dbraw/zinc/09/47/28/654094728.db2.gz NCNQQKICYIGCAT-HNNXBMFYSA-N 1 2 394.269 2.127 20 0 GEADLO Cn1cc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Br)n1 ZINC000869412641 654094733 /nfs/dbraw/zinc/09/47/33/654094733.db2.gz NCNQQKICYIGCAT-HNNXBMFYSA-N 1 2 394.269 2.127 20 0 GEADLO CN(Cc1ncc(Cl)n1C)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000799797111 654114080 /nfs/dbraw/zinc/11/40/80/654114080.db2.gz HFUMFOGFDBQFAL-UHFFFAOYSA-N 1 2 379.873 2.139 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)NC[C@H](O)c1cccc(Br)c1 ZINC000799887692 654118992 /nfs/dbraw/zinc/11/89/92/654118992.db2.gz AJLKAUGYFCBPQH-HNNXBMFYSA-N 1 2 381.274 2.459 20 0 GEADLO CCOC(=O)[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc(OC)c(Br)c1 ZINC000901355729 654122078 /nfs/dbraw/zinc/12/20/78/654122078.db2.gz HCFBHRCGVKDKEP-OAHLLOKOSA-N 1 2 396.241 2.144 20 0 GEADLO O=S(=O)(C1CC[NH+](Cn2ccc(-c3cccs3)n2)CC1)N1CCCC1 ZINC000799957917 654122949 /nfs/dbraw/zinc/12/29/49/654122949.db2.gz ZXTVWAIYZVSGMV-UHFFFAOYSA-N 1 2 380.539 2.459 20 0 GEADLO O[C@@H](CNc1cc(N2CCOCC2)nc[nH+]1)c1cccc(Br)c1 ZINC000799971726 654123718 /nfs/dbraw/zinc/12/37/18/654123718.db2.gz TZGOEFLIBJOLCJ-AWEZNQCLSA-N 1 2 379.258 2.221 20 0 GEADLO O[C@@H](CNc1cc(N2CCOCC2)[nH+]cn1)c1cccc(Br)c1 ZINC000799971726 654123722 /nfs/dbraw/zinc/12/37/22/654123722.db2.gz TZGOEFLIBJOLCJ-AWEZNQCLSA-N 1 2 379.258 2.221 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)/C=C\c2ccc(I)o2)CCO1 ZINC000800085014 654128260 /nfs/dbraw/zinc/12/82/60/654128260.db2.gz SFKMJOQULSSVCH-MZBZXASESA-N 1 2 391.205 2.161 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)/C=C\c2ccc(I)o2)CCO1 ZINC000800085014 654128265 /nfs/dbraw/zinc/12/82/65/654128265.db2.gz SFKMJOQULSSVCH-MZBZXASESA-N 1 2 391.205 2.161 20 0 GEADLO O=S(=O)(NCCc1cn2c([nH+]1)CCCC2)c1c(Cl)nc2ccccn21 ZINC000917650375 654129764 /nfs/dbraw/zinc/12/97/64/654129764.db2.gz AHRSHESJVDYURC-UHFFFAOYSA-N 1 2 379.873 2.042 20 0 GEADLO C/C(=C/c1ccc(Br)o1)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870056448 654141497 /nfs/dbraw/zinc/14/14/97/654141497.db2.gz IXVQOGFDFIXHPQ-WVUXNXBLSA-N 1 2 399.285 2.005 20 0 GEADLO C[C@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000870059909 654141526 /nfs/dbraw/zinc/14/15/26/654141526.db2.gz NRWZLAXMBWAORI-YOEHRIQHSA-N 1 2 397.313 2.112 20 0 GEADLO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870070011 654142109 /nfs/dbraw/zinc/14/21/09/654142109.db2.gz OLMWDQFEEDENKK-CABCVRRESA-N 1 2 384.929 2.380 20 0 GEADLO O=C(CSCc1ccc(Cl)cc1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870076024 654142432 /nfs/dbraw/zinc/14/24/32/654142432.db2.gz VXSXUPQQXQAWOQ-QGZVFWFLSA-N 1 2 384.929 2.133 20 0 GEADLO COc1cccc([C@H]2CN(C(=O)c3[nH]nc(C)c3Br)CC[NH2+]2)c1 ZINC000870150397 654146447 /nfs/dbraw/zinc/14/64/47/654146447.db2.gz UTADGXCANAWNLI-CYBMUJFWSA-N 1 2 379.258 2.276 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000800513778 654147558 /nfs/dbraw/zinc/14/75/58/654147558.db2.gz ZLGYZBCVYYUHKX-NSHDSACASA-N 1 2 390.531 2.004 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000800513778 654147561 /nfs/dbraw/zinc/14/75/61/654147561.db2.gz ZLGYZBCVYYUHKX-NSHDSACASA-N 1 2 390.531 2.004 20 0 GEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831020726 654156231 /nfs/dbraw/zinc/15/62/31/654156231.db2.gz UYGHFDDRBWURHP-IUCAKERBSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831020726 654156235 /nfs/dbraw/zinc/15/62/35/654156235.db2.gz UYGHFDDRBWURHP-IUCAKERBSA-N 1 2 382.711 2.211 20 0 GEADLO CC1(C)OC[C@H](CC[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)O1 ZINC000851715422 654171819 /nfs/dbraw/zinc/17/18/19/654171819.db2.gz UDRAYUJUHQZZNS-HNNXBMFYSA-N 1 2 388.917 2.188 20 0 GEADLO CC1(C)OC[C@@H](C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)O1 ZINC000851743490 654173874 /nfs/dbraw/zinc/17/38/74/654173874.db2.gz URKSDKFMNZYHSI-GFCCVEGCSA-N 1 2 394.946 2.249 20 0 GEADLO CC1(C)OC[C@@H](C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)O1 ZINC000851743490 654173877 /nfs/dbraw/zinc/17/38/77/654173877.db2.gz URKSDKFMNZYHSI-GFCCVEGCSA-N 1 2 394.946 2.249 20 0 GEADLO O=C(COc1ccc(Br)cn1)OCC1CN(c2cccc[nH+]2)C1 ZINC000870442226 654174644 /nfs/dbraw/zinc/17/46/44/654174644.db2.gz HKALPCRMURZMSD-UHFFFAOYSA-N 1 2 378.226 2.298 20 0 GEADLO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000919288225 654176862 /nfs/dbraw/zinc/17/68/62/654176862.db2.gz OMOABWRLXJZHLX-QWRGUYRKSA-N 1 2 380.388 2.148 20 0 GEADLO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000919288225 654176868 /nfs/dbraw/zinc/17/68/68/654176868.db2.gz OMOABWRLXJZHLX-QWRGUYRKSA-N 1 2 380.388 2.148 20 0 GEADLO O=C1N[C@@H](C2CC[NH+](CN3Cc4ccc(Br)cc4C3=O)CC2)CO1 ZINC000902522440 654181349 /nfs/dbraw/zinc/18/13/49/654181349.db2.gz XCBRZYURUOGGTB-OAHLLOKOSA-N 1 2 394.269 2.183 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(S(=O)(=O)NC)cc2)n1 ZINC000919756715 654191629 /nfs/dbraw/zinc/19/16/29/654191629.db2.gz NNLRHMWFTPAPDR-UHFFFAOYSA-N 1 2 382.511 2.145 20 0 GEADLO C[C@@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000919999599 654198489 /nfs/dbraw/zinc/19/84/89/654198489.db2.gz KNVDDBGCUYQMPH-MFKMUULPSA-N 1 2 399.866 2.271 20 0 GEADLO C[C@@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCN1C ZINC000919999599 654198494 /nfs/dbraw/zinc/19/84/94/654198494.db2.gz KNVDDBGCUYQMPH-MFKMUULPSA-N 1 2 399.866 2.271 20 0 GEADLO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cn(C)nn1 ZINC000902882981 654202177 /nfs/dbraw/zinc/20/21/77/654202177.db2.gz ZPFWFLBHCXYJSP-LBPRGKRZSA-N 1 2 380.290 2.265 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000890200162 654206418 /nfs/dbraw/zinc/20/64/18/654206418.db2.gz GNLKRUDFLYJRAZ-UHFFFAOYSA-N 1 2 392.179 2.363 20 0 GEADLO NS(=O)(=O)c1cc(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)co1 ZINC000851993191 654211026 /nfs/dbraw/zinc/21/10/26/654211026.db2.gz HEUJPPHVLHUWNQ-UHFFFAOYSA-N 1 2 385.873 2.266 20 0 GEADLO CCOC(=O)[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc(OC)c(Br)c1 ZINC000831817294 654211801 /nfs/dbraw/zinc/21/18/01/654211801.db2.gz SFIDOIPDZQSYON-OAHLLOKOSA-N 1 2 396.241 2.144 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@](C)(CO)Cc1ccc(Br)cc1 ZINC000870944046 654212022 /nfs/dbraw/zinc/21/20/22/654212022.db2.gz ATCMDUZYXZNTQZ-RKVPGOIHSA-N 1 2 392.297 2.396 20 0 GEADLO Cc1nn(CC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c(C)c1Cl ZINC000870994915 654215320 /nfs/dbraw/zinc/21/53/20/654215320.db2.gz YDHAMZIWIHMHMY-UHFFFAOYSA-N 1 2 379.917 2.418 20 0 GEADLO COc1ncc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1Cl ZINC000920616751 654217242 /nfs/dbraw/zinc/21/72/42/654217242.db2.gz WXOIDYJZBRRGGS-UHFFFAOYSA-N 1 2 382.873 2.404 20 0 GEADLO O=C(NCC[C@H]1CNC(=O)C1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000831963308 654219985 /nfs/dbraw/zinc/21/99/85/654219985.db2.gz YLJIPPBWGNZVBU-CXAGYDPISA-N 1 2 394.313 2.228 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802242755 654224368 /nfs/dbraw/zinc/22/43/68/654224368.db2.gz PVEVOSPVQBETRL-NXEZZACHSA-N 1 2 393.278 2.216 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802242755 654224373 /nfs/dbraw/zinc/22/43/73/654224373.db2.gz PVEVOSPVQBETRL-NXEZZACHSA-N 1 2 393.278 2.216 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)c(F)c1Cl ZINC000903214809 654227691 /nfs/dbraw/zinc/22/76/91/654227691.db2.gz VVPILPRWWQOJCS-JTQLQIEISA-N 1 2 393.843 2.045 20 0 GEADLO C[C@@](CO)(NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000890630868 654233547 /nfs/dbraw/zinc/23/35/47/654233547.db2.gz VTGTVSHYTMASNL-SJCJKPOMSA-N 1 2 378.270 2.232 20 0 GEADLO C[C@@](CO)(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000890630867 654233811 /nfs/dbraw/zinc/23/38/11/654233811.db2.gz VTGTVSHYTMASNL-PXAZEXFGSA-N 1 2 378.270 2.232 20 0 GEADLO Cc1ccc(-n2c(Cl)c(C[NH2+]C[C@@H](C)S(C)(=O)=O)nc2N(C)C)cc1 ZINC000802647597 654235084 /nfs/dbraw/zinc/23/50/84/654235084.db2.gz OEFMZBGFMVTMOW-CYBMUJFWSA-N 1 2 384.933 2.423 20 0 GEADLO CO[C@H](CS(=O)(=O)NCc1nc(C[NH+](C)C)cs1)C1CCCCC1 ZINC000921084133 654235207 /nfs/dbraw/zinc/23/52/07/654235207.db2.gz UHKBSUSJPRZRIC-OAHLLOKOSA-N 1 2 375.560 2.219 20 0 GEADLO O=C1c2cc(Br)ccc2CN1CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000802735555 654238439 /nfs/dbraw/zinc/23/84/39/654238439.db2.gz QUHLHILKOCRKFK-MRXNPFEDSA-N 1 2 394.313 2.159 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000802735555 654238447 /nfs/dbraw/zinc/23/84/47/654238447.db2.gz QUHLHILKOCRKFK-MRXNPFEDSA-N 1 2 394.313 2.159 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000802735555 654238456 /nfs/dbraw/zinc/23/84/56/654238456.db2.gz QUHLHILKOCRKFK-MRXNPFEDSA-N 1 2 394.313 2.159 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852431195 654238532 /nfs/dbraw/zinc/23/85/32/654238532.db2.gz GIIZNZLRHNKBEY-FZMZJTMJSA-N 1 2 382.258 2.303 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852431195 654238539 /nfs/dbraw/zinc/23/85/39/654238539.db2.gz GIIZNZLRHNKBEY-FZMZJTMJSA-N 1 2 382.258 2.303 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc(F)ccc1OC(F)F ZINC000921322511 654247733 /nfs/dbraw/zinc/24/77/33/654247733.db2.gz UDLIKAWOPUMTQF-RYUDHWBXSA-N 1 2 396.456 2.285 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1cc(F)ccc1OC(F)F ZINC000921322511 654247738 /nfs/dbraw/zinc/24/77/38/654247738.db2.gz UDLIKAWOPUMTQF-RYUDHWBXSA-N 1 2 396.456 2.285 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1OC(F)F ZINC000921324429 654248792 /nfs/dbraw/zinc/24/87/92/654248792.db2.gz YWBXKZYDRJSLSZ-NEPJUHHUSA-N 1 2 378.466 2.146 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccccc1OC(F)F ZINC000921324429 654248802 /nfs/dbraw/zinc/24/88/02/654248802.db2.gz YWBXKZYDRJSLSZ-NEPJUHHUSA-N 1 2 378.466 2.146 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCS[C@H](C(F)(F)F)C2)C1 ZINC000921333607 654249816 /nfs/dbraw/zinc/24/98/16/654249816.db2.gz UQGCINVQEYLEJL-AWEZNQCLSA-N 1 2 380.457 2.343 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCS[C@H](C(F)(F)F)C2)C1 ZINC000921333607 654249819 /nfs/dbraw/zinc/24/98/19/654249819.db2.gz UQGCINVQEYLEJL-AWEZNQCLSA-N 1 2 380.457 2.343 20 0 GEADLO O=C1O[C@@H](C[N@@H+]2CCn3ncc(Br)c3C2)CN1c1ccccc1 ZINC000852626974 654251928 /nfs/dbraw/zinc/25/19/28/654251928.db2.gz ZXXSCVZDFYRSSK-ZDUSSCGKSA-N 1 2 377.242 2.487 20 0 GEADLO O=C1O[C@@H](C[N@H+]2CCn3ncc(Br)c3C2)CN1c1ccccc1 ZINC000852626974 654251937 /nfs/dbraw/zinc/25/19/37/654251937.db2.gz ZXXSCVZDFYRSSK-ZDUSSCGKSA-N 1 2 377.242 2.487 20 0 GEADLO COc1ccc(CC(N)=[NH+]OCc2c(Br)cnn2C)cc1OC ZINC000871729174 654254159 /nfs/dbraw/zinc/25/41/59/654254159.db2.gz DLBZALCLSRHRSR-UHFFFAOYSA-N 1 2 383.246 2.441 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000852846922 654263130 /nfs/dbraw/zinc/26/31/30/654263130.db2.gz HUVNMDBPZMGYJZ-UHFFFAOYSA-N 1 2 380.279 2.325 20 0 GEADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000921414846 654265390 /nfs/dbraw/zinc/26/53/90/654265390.db2.gz YHRDHQJZUBUFNM-LBPRGKRZSA-N 1 2 384.395 2.086 20 0 GEADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000921414846 654265394 /nfs/dbraw/zinc/26/53/94/654265394.db2.gz YHRDHQJZUBUFNM-LBPRGKRZSA-N 1 2 384.395 2.086 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000832491734 654269923 /nfs/dbraw/zinc/26/99/23/654269923.db2.gz ZWXGVMAOPKLOPP-NWDGAFQWSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000832491734 654269926 /nfs/dbraw/zinc/26/99/26/654269926.db2.gz ZWXGVMAOPKLOPP-NWDGAFQWSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cn(C(C)(C)C)nc1Br ZINC000803514880 654282450 /nfs/dbraw/zinc/28/24/50/654282450.db2.gz IHLZUAVBRDTTDL-OLZOCXBDSA-N 1 2 399.333 2.336 20 0 GEADLO CNS(=O)(=O)c1cccc(C[NH2+]Cc2nc(C)c(Br)s2)c1 ZINC000921579580 654285292 /nfs/dbraw/zinc/28/52/92/654285292.db2.gz WCUXQILFDSLQPJ-UHFFFAOYSA-N 1 2 390.328 2.412 20 0 GEADLO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC000921596301 654289687 /nfs/dbraw/zinc/28/96/87/654289687.db2.gz MQOSLFKQMHEFRG-AWEZNQCLSA-N 1 2 393.285 2.371 20 0 GEADLO CCCC[N@H+](Cc1ncc(Br)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000891478187 654295897 /nfs/dbraw/zinc/29/58/97/654295897.db2.gz VGHCZDDQEFWFGS-GFCCVEGCSA-N 1 2 377.304 2.339 20 0 GEADLO CCCC[N@@H+](Cc1ncc(Br)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000891478187 654295905 /nfs/dbraw/zinc/29/59/05/654295905.db2.gz VGHCZDDQEFWFGS-GFCCVEGCSA-N 1 2 377.304 2.339 20 0 GEADLO CC(C)(O)C[C@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000871971239 654296389 /nfs/dbraw/zinc/29/63/89/654296389.db2.gz KYNOEVPMWGKMCL-HNNXBMFYSA-N 1 2 375.296 2.273 20 0 GEADLO CC(C)NC(=O)[C@H]1CCC[N@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000853602346 654309011 /nfs/dbraw/zinc/30/90/11/654309011.db2.gz FTFAZFKDJNIZLZ-ZDUSSCGKSA-N 1 2 379.555 2.413 20 0 GEADLO CC(C)NC(=O)[C@H]1CCC[N@@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000853602346 654309013 /nfs/dbraw/zinc/30/90/13/654309013.db2.gz FTFAZFKDJNIZLZ-ZDUSSCGKSA-N 1 2 379.555 2.413 20 0 GEADLO Cc1nc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)sc1Br ZINC000921800373 654325574 /nfs/dbraw/zinc/32/55/74/654325574.db2.gz CMDSFGCBEKYREB-KCJUWKMLSA-N 1 2 384.303 2.231 20 0 GEADLO O=S(=O)(c1cnc(Cl)c(F)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000804944122 654326738 /nfs/dbraw/zinc/32/67/38/654326738.db2.gz SMFZVUXSSITCDP-UHFFFAOYSA-N 1 2 383.876 2.423 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000921907260 654340322 /nfs/dbraw/zinc/34/03/22/654340322.db2.gz FCYJLHINTCVMQB-HNNXBMFYSA-N 1 2 386.901 2.074 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000921907260 654340328 /nfs/dbraw/zinc/34/03/28/654340328.db2.gz FCYJLHINTCVMQB-HNNXBMFYSA-N 1 2 386.901 2.074 20 0 GEADLO COC(OC)[C@@H](C)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000921938312 654344734 /nfs/dbraw/zinc/34/47/34/654344734.db2.gz FKKSBTMYWVKLMS-LLVKDONJSA-N 1 2 399.289 2.254 20 0 GEADLO COC[C@H](CCO)Nc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC000892631521 654354793 /nfs/dbraw/zinc/35/47/93/654354793.db2.gz HOORDLKPHSWUAK-LBPRGKRZSA-N 1 2 392.257 2.387 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)NC1(c2ncc(Br)cn2)CCC1 ZINC000922075431 654363451 /nfs/dbraw/zinc/36/34/51/654363451.db2.gz CLEFEWZLVGGFIO-LBPRGKRZSA-N 1 2 391.273 2.129 20 0 GEADLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc(Br)cc1OCCCO ZINC000854573576 654367428 /nfs/dbraw/zinc/36/74/28/654367428.db2.gz BFNODHRUPAKUDZ-LLVKDONJSA-N 1 2 382.258 2.353 20 0 GEADLO Cc1nnc([C@@H]2C[C@@H](O)[C@@H](C[NH2+]Cc3nc(C)c(Br)s3)C2)[nH]1 ZINC000922268659 654380301 /nfs/dbraw/zinc/38/03/01/654380301.db2.gz QITXYNMOMLDELP-HBNTYKKESA-N 1 2 386.319 2.285 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000922291310 654381885 /nfs/dbraw/zinc/38/18/85/654381885.db2.gz XEMZQXSSYDZFAB-TZMCWYRMSA-N 1 2 385.306 2.315 20 0 GEADLO NS(=O)(=O)c1ccc(Cl)nc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000893125237 654383913 /nfs/dbraw/zinc/38/39/13/654383913.db2.gz HRDPTHWDGCDUHU-UHFFFAOYSA-N 1 2 383.905 2.276 20 0 GEADLO CC(C)(C)n1cc(C[NH2+]Cc2ncc(Br)cc2F)c(=O)[nH]c1=O ZINC000922497812 654398151 /nfs/dbraw/zinc/39/81/51/654398151.db2.gz QFNSHNHRWXPJKK-UHFFFAOYSA-N 1 2 385.237 2.290 20 0 GEADLO C[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000872848600 654400463 /nfs/dbraw/zinc/40/04/63/654400463.db2.gz HYRMSUACZXAXSU-CABCVRRESA-N 1 2 381.464 2.178 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000906066007 654412567 /nfs/dbraw/zinc/41/25/67/654412567.db2.gz WVQKQJAONAIGFG-JOCHJYFZSA-N 1 2 377.557 2.010 20 0 GEADLO OC1(c2scnc2Br)CCN(c2nccn3c[nH+]cc23)CC1 ZINC000893649766 654413770 /nfs/dbraw/zinc/41/37/70/654413770.db2.gz CYZWPNDQKHUILD-UHFFFAOYSA-N 1 2 380.271 2.436 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc(Br)ncc2Cl)[C@@H](C)CO1 ZINC000855412325 654417709 /nfs/dbraw/zinc/41/77/09/654417709.db2.gz STYTVQSJKGIZFU-UWVGGRQHSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)ncc2Cl)[C@@H](C)CO1 ZINC000855412325 654417714 /nfs/dbraw/zinc/41/77/14/654417714.db2.gz STYTVQSJKGIZFU-UWVGGRQHSA-N 1 2 376.682 2.337 20 0 GEADLO Cn1ccc(-n2cc(C[NH2+][C@@H]3CCOc4c(Br)cccc43)nn2)n1 ZINC000906301091 654426268 /nfs/dbraw/zinc/42/62/68/654426268.db2.gz SEJADZGBASMKPU-CQSZACIVSA-N 1 2 389.257 2.377 20 0 GEADLO Cn1nc(Br)nc1C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000893962655 654433825 /nfs/dbraw/zinc/43/38/25/654433825.db2.gz QQYOCHYQIPQZHD-UHFFFAOYSA-N 1 2 388.310 2.409 20 0 GEADLO Cn1nc(Br)nc1C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000893962655 654433828 /nfs/dbraw/zinc/43/38/28/654433828.db2.gz QQYOCHYQIPQZHD-UHFFFAOYSA-N 1 2 388.310 2.409 20 0 GEADLO C[N@H+](CC(=O)[O-])C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923230028 654435583 /nfs/dbraw/zinc/43/55/83/654435583.db2.gz ISVZIYKYLPQMDO-AWEZNQCLSA-N 1 2 391.295 2.214 20 0 GEADLO C[N@@H+](CC(=O)[O-])C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923230028 654435589 /nfs/dbraw/zinc/43/55/89/654435589.db2.gz ISVZIYKYLPQMDO-AWEZNQCLSA-N 1 2 391.295 2.214 20 0 GEADLO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2nc(Br)nn2C)cc1 ZINC000894154466 654451182 /nfs/dbraw/zinc/45/11/82/654451182.db2.gz YZVQFGROWDLLMI-OAHLLOKOSA-N 1 2 394.317 2.049 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H](O)[C@H](F)C3)[nH+]c12 ZINC000894167210 654452257 /nfs/dbraw/zinc/45/22/57/654452257.db2.gz MTDSMAZLIRYXAT-ZIAGYGMSSA-N 1 2 399.264 2.062 20 0 GEADLO CC(C)Oc1ccc(C[NH2+]Cc2c(I)cnn2C)cn1 ZINC000894185727 654453805 /nfs/dbraw/zinc/45/38/05/654453805.db2.gz MSLDPXNCENXUCY-UHFFFAOYSA-N 1 2 386.237 2.497 20 0 GEADLO Cn1ncc(I)c1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000894445578 654476275 /nfs/dbraw/zinc/47/62/75/654476275.db2.gz QVJIXRXDYCGWHM-GFCCVEGCSA-N 1 2 375.254 2.273 20 0 GEADLO COc1ccccc1[C@@H](CO)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894261258 654460602 /nfs/dbraw/zinc/46/06/02/654460602.db2.gz QFWBFDHMFZONGK-CYBMUJFWSA-N 1 2 383.901 2.465 20 0 GEADLO C[C@H](CNC(=O)c1cnnn1-c1ccccc1Br)Cn1cc[nH+]c1 ZINC000906765905 654469534 /nfs/dbraw/zinc/46/95/34/654469534.db2.gz KOFXDIJSKWRQKM-GFCCVEGCSA-N 1 2 389.257 2.292 20 0 GEADLO C[C@@H](CNC(=O)c1cc(Br)cn(C2CC2)c1=O)Cn1cc[nH+]c1 ZINC000906765316 654469548 /nfs/dbraw/zinc/46/95/48/654469548.db2.gz DHSQNQZAOJBFAZ-NSHDSACASA-N 1 2 379.258 2.208 20 0 GEADLO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2nc(Br)nn2C)cc1 ZINC000894385004 654471680 /nfs/dbraw/zinc/47/16/80/654471680.db2.gz JTLBGXVSQXTABZ-UHFFFAOYSA-N 1 2 381.278 2.397 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)oc1Cl ZINC000906803985 654473866 /nfs/dbraw/zinc/47/38/66/654473866.db2.gz OBTGREIBELWFFP-SNVBAGLBSA-N 1 2 392.886 2.362 20 0 GEADLO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ncc(Br)cc2O)cc1O ZINC000894472442 654478887 /nfs/dbraw/zinc/47/88/87/654478887.db2.gz MFAWITHVFXZOJE-GFCCVEGCSA-N 1 2 397.269 2.205 20 0 GEADLO O=S1(=O)CCC([NH2+]Cc2noc(-c3cccc(Br)c3)n2)CC1 ZINC000894597283 654489170 /nfs/dbraw/zinc/48/91/70/654489170.db2.gz XHHIEIPOUOPJPG-UHFFFAOYSA-N 1 2 386.271 2.166 20 0 GEADLO O=C(NCC1CC[NH+](CCS(=O)(=O)C2CCCCC2)CC1)C(F)(F)F ZINC000856741116 654489286 /nfs/dbraw/zinc/48/92/86/654489286.db2.gz YERHYMXLZZTBST-UHFFFAOYSA-N 1 2 384.464 2.124 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000894666882 654493190 /nfs/dbraw/zinc/49/31/90/654493190.db2.gz KNBBYOPMRPBOHS-CHWSQXEVSA-N 1 2 384.489 2.434 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000894666882 654493195 /nfs/dbraw/zinc/49/31/95/654493195.db2.gz KNBBYOPMRPBOHS-CHWSQXEVSA-N 1 2 384.489 2.434 20 0 GEADLO O=C(NCC[C@H]1CC1(Cl)Cl)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000856826978 654496399 /nfs/dbraw/zinc/49/63/99/654496399.db2.gz NUWWKIXNYOCLIR-GXTWGEPZSA-N 1 2 382.357 2.077 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000894852880 654502359 /nfs/dbraw/zinc/50/23/59/654502359.db2.gz WTHQAKZOTYYMPM-QWHCGFSZSA-N 1 2 384.489 2.292 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000894852880 654502362 /nfs/dbraw/zinc/50/23/62/654502362.db2.gz WTHQAKZOTYYMPM-QWHCGFSZSA-N 1 2 384.489 2.292 20 0 GEADLO Cn1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c(I)n1 ZINC000894863309 654502640 /nfs/dbraw/zinc/50/26/40/654502640.db2.gz XONSDCIQSFPLJK-ZDUSSCGKSA-N 1 2 387.265 2.416 20 0 GEADLO Cn1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c(I)n1 ZINC000894863309 654502645 /nfs/dbraw/zinc/50/26/45/654502645.db2.gz XONSDCIQSFPLJK-ZDUSSCGKSA-N 1 2 387.265 2.416 20 0 GEADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1nccnc1Cl ZINC000907044587 654503385 /nfs/dbraw/zinc/50/33/85/654503385.db2.gz FDLYQIKMACOXRX-UHFFFAOYSA-N 1 2 380.279 2.335 20 0 GEADLO CO[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2I)C12CCC2 ZINC000894917569 654505286 /nfs/dbraw/zinc/50/52/86/654505286.db2.gz NOLRYZZQIUEHSK-NWDGAFQWSA-N 1 2 375.254 2.414 20 0 GEADLO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2I)C12CCC2 ZINC000894917569 654505290 /nfs/dbraw/zinc/50/52/90/654505290.db2.gz NOLRYZZQIUEHSK-NWDGAFQWSA-N 1 2 375.254 2.414 20 0 GEADLO Cc1csc([C@@H]2CN(C(=O)NCc3nc(C[NH+](C)C)cs3)CCO2)n1 ZINC000924782350 654524559 /nfs/dbraw/zinc/52/45/59/654524559.db2.gz MMDABHXEWHACDX-ZDUSSCGKSA-N 1 2 381.527 2.253 20 0 GEADLO O=S(=O)(NC1CC[NH+](C2CCOCC2)CC1)c1onc(C2CC2)c1Cl ZINC000907330055 654532544 /nfs/dbraw/zinc/53/25/44/654532544.db2.gz QSPSSINICXVGIO-UHFFFAOYSA-N 1 2 389.905 2.127 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1cc(Br)cn1C ZINC000925601007 654546639 /nfs/dbraw/zinc/54/66/39/654546639.db2.gz JFCCAYHWVYOORF-CQSZACIVSA-N 1 2 387.322 2.040 20 0 GEADLO CN(C)[C@H](C(=O)Nc1nc2c(cccc2Br)[nH]1)c1c[nH+]cn1C ZINC000925627059 654547164 /nfs/dbraw/zinc/54/71/64/654547164.db2.gz VYFKVTSZNHIMEA-ZDUSSCGKSA-N 1 2 377.246 2.300 20 0 GEADLO C[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)c2ncnn21 ZINC000926377618 654569827 /nfs/dbraw/zinc/56/98/27/654569827.db2.gz JWTVXPNWTIWZFQ-CABZTGNLSA-N 1 2 397.220 2.117 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000907782092 654578648 /nfs/dbraw/zinc/57/86/48/654578648.db2.gz WCLCGHUOGPTFHR-LLVKDONJSA-N 1 2 389.257 2.245 20 0 GEADLO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926784978 654582108 /nfs/dbraw/zinc/58/21/08/654582108.db2.gz HAGCRYQZBCRTOM-CIUDSAMLSA-N 1 2 381.782 2.471 20 0 GEADLO CN(C)[C@H](CCNC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(F)(F)F ZINC000926807890 654582367 /nfs/dbraw/zinc/58/23/67/654582367.db2.gz GWDBNHFVBNQVOS-CQSZACIVSA-N 1 2 378.464 2.458 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)COc2ccc(Br)cn2)n1 ZINC000927761533 654612646 /nfs/dbraw/zinc/61/26/46/654612646.db2.gz PDUAAXGCKKCCGN-UHFFFAOYSA-N 1 2 385.287 2.057 20 0 GEADLO C[C@@H](Sc1ccccc1C(=O)NCc1nc(C[NH+](C)C)cs1)C(N)=O ZINC000927763211 654612689 /nfs/dbraw/zinc/61/26/89/654612689.db2.gz DGZKWRICNCSQOB-LLVKDONJSA-N 1 2 378.523 2.101 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)n1 ZINC000927765278 654612902 /nfs/dbraw/zinc/61/29/02/654612902.db2.gz QDGPDRPSZMNBNT-LBPRGKRZSA-N 1 2 386.543 2.131 20 0 GEADLO Cc1c(C(=O)NCc2nc(C[NH+](C)C)cs2)sc2nc(C)nc(N)c12 ZINC000927767446 654612959 /nfs/dbraw/zinc/61/29/59/654612959.db2.gz ANCXWUJBWVQHFT-UHFFFAOYSA-N 1 2 376.511 2.338 20 0 GEADLO Cc1nc(-c2ncccn2)sc1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928097314 654630520 /nfs/dbraw/zinc/63/05/20/654630520.db2.gz ZRHJJCZHGMNJEW-STQMWFEESA-N 1 2 375.523 2.218 20 0 GEADLO Cc1nc(-c2ncccn2)sc1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928097314 654630524 /nfs/dbraw/zinc/63/05/24/654630524.db2.gz ZRHJJCZHGMNJEW-STQMWFEESA-N 1 2 375.523 2.218 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](OC)c1ccc(Br)s1 ZINC000928635692 654653654 /nfs/dbraw/zinc/65/36/54/654653654.db2.gz NPWNGJQQILBBTJ-RISCZKNCSA-N 1 2 391.331 2.425 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000928635077 654653700 /nfs/dbraw/zinc/65/37/00/654653700.db2.gz IKZSMIJEGREFMT-GFCCVEGCSA-N 1 2 379.448 2.408 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1c2ccc(Br)cc2nn1C ZINC000928648013 654654029 /nfs/dbraw/zinc/65/40/29/654654029.db2.gz SUDXYSGDJGBBOH-CYBMUJFWSA-N 1 2 395.301 2.176 20 0 GEADLO C[C@H]1C[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCS1(=O)=O ZINC000929321814 654679363 /nfs/dbraw/zinc/67/93/63/654679363.db2.gz TVXQLKQXKYFGOA-STQMWFEESA-N 1 2 386.543 2.216 20 0 GEADLO C[C@@H]1CS(=O)(=O)CCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000929321860 654679389 /nfs/dbraw/zinc/67/93/89/654679389.db2.gz VCQVQESSHKEREK-CYBMUJFWSA-N 1 2 386.543 2.170 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCS1(=O)=O ZINC000929321812 654679416 /nfs/dbraw/zinc/67/94/16/654679416.db2.gz TVXQLKQXKYFGOA-OLZOCXBDSA-N 1 2 386.543 2.216 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)c2ccc(Cn3cc(Br)cn3)s2)c1 ZINC000909857499 654680290 /nfs/dbraw/zinc/68/02/90/654680290.db2.gz VHHVQHJYBQQZDY-UHFFFAOYSA-N 1 2 394.298 2.461 20 0 GEADLO CC[C@@](O)(C[N@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1)C(F)(F)F ZINC000929347539 654680631 /nfs/dbraw/zinc/68/06/31/654680631.db2.gz HECHCLZOTNGXIO-OAHLLOKOSA-N 1 2 383.432 2.494 20 0 GEADLO CC[C@@](O)(C[N@@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1)C(F)(F)F ZINC000929347539 654680634 /nfs/dbraw/zinc/68/06/34/654680634.db2.gz HECHCLZOTNGXIO-OAHLLOKOSA-N 1 2 383.432 2.494 20 0 GEADLO O=C(c1nc(Br)c2ccccn21)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000929367318 654681468 /nfs/dbraw/zinc/68/14/68/654681468.db2.gz YTDIAOXJEIPODF-ZDUSSCGKSA-N 1 2 393.285 2.034 20 0 GEADLO Cn1cc(Br)c(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1=O ZINC000929393306 654682422 /nfs/dbraw/zinc/68/24/22/654682422.db2.gz HSMKEJOFWPKBKT-UHFFFAOYSA-N 1 2 396.310 2.167 20 0 GEADLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)CC[S@@](=O)C(F)(F)F ZINC000929416220 654683219 /nfs/dbraw/zinc/68/32/19/654683219.db2.gz GYZGXDCIDHHTGM-HSZRJFAPSA-N 1 2 387.445 2.059 20 0 GEADLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)CC[S@@](=O)C(F)(F)F ZINC000929416220 654683221 /nfs/dbraw/zinc/68/32/21/654683221.db2.gz GYZGXDCIDHHTGM-HSZRJFAPSA-N 1 2 387.445 2.059 20 0 GEADLO CC[C@@](O)(C[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1)C(F)(F)F ZINC000929416326 654683295 /nfs/dbraw/zinc/68/32/95/654683295.db2.gz JORZEBWEJCHMBS-OAHLLOKOSA-N 1 2 383.432 2.494 20 0 GEADLO CC[C@@](O)(C[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1)C(F)(F)F ZINC000929416326 654683296 /nfs/dbraw/zinc/68/32/96/654683296.db2.gz JORZEBWEJCHMBS-OAHLLOKOSA-N 1 2 383.432 2.494 20 0 GEADLO Nc1nc(Br)ccc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000929482397 654685479 /nfs/dbraw/zinc/68/54/79/654685479.db2.gz XWRLJKRAMRGJHZ-UHFFFAOYSA-N 1 2 377.290 2.344 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC2)cs1 ZINC000929963651 654696113 /nfs/dbraw/zinc/69/61/13/654696113.db2.gz QJCFRNWSNZILPC-CLLJXQQHSA-N 1 2 377.482 2.049 20 0 GEADLO C/C(=C/C(=O)N(C)C[C@H](O)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000910424988 654699768 /nfs/dbraw/zinc/69/97/68/654699768.db2.gz SYMYMCIWHLLRKW-QXSWTLKVSA-N 1 2 397.313 2.219 20 0 GEADLO CS(=O)(=O)c1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cn1 ZINC000930472496 654711250 /nfs/dbraw/zinc/71/12/50/654711250.db2.gz MGFBONMCYYFVMY-UHFFFAOYSA-N 1 2 380.495 2.180 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@@H]2C[C@H]3COC[C@@H]3O2)c1 ZINC000930623498 654715447 /nfs/dbraw/zinc/71/54/47/654715447.db2.gz FQROBJGDQMCGLQ-SCTFDZSOSA-N 1 2 386.286 2.227 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@@H]2C[C@H]3COC[C@@H]3O2)c1 ZINC000930623498 654715451 /nfs/dbraw/zinc/71/54/51/654715451.db2.gz FQROBJGDQMCGLQ-SCTFDZSOSA-N 1 2 386.286 2.227 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(Br)cn3ncnc23)c1C ZINC000931216176 654734067 /nfs/dbraw/zinc/73/40/67/654734067.db2.gz RENBYTGGTPULLD-UHFFFAOYSA-N 1 2 390.241 2.442 20 0 GEADLO Cc1c(Cl)c(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)sc1S(N)(=O)=O ZINC000912033637 654740267 /nfs/dbraw/zinc/74/02/67/654740267.db2.gz PZKURFXNSORTNR-JTQLQIEISA-N 1 2 393.962 2.160 20 0 GEADLO Cc1c(Cl)c(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)sc1S(N)(=O)=O ZINC000912033637 654740271 /nfs/dbraw/zinc/74/02/71/654740271.db2.gz PZKURFXNSORTNR-JTQLQIEISA-N 1 2 393.962 2.160 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000931505784 654744601 /nfs/dbraw/zinc/74/46/01/654744601.db2.gz RFTFCHBVLGPAOL-SUHUHFCYSA-N 1 2 375.254 2.150 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000931505784 654744604 /nfs/dbraw/zinc/74/46/04/654744604.db2.gz RFTFCHBVLGPAOL-SUHUHFCYSA-N 1 2 375.254 2.150 20 0 GEADLO CCOC(=O)c1nc(NC(=O)NCCn2cc[nH+]c2)sc1C(F)(F)F ZINC000931590088 654748100 /nfs/dbraw/zinc/74/81/00/654748100.db2.gz XHNPYEPZZYGHBJ-UHFFFAOYSA-N 1 2 377.348 2.357 20 0 GEADLO [NH3+][C@H](CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)C(F)F ZINC000912289736 654748910 /nfs/dbraw/zinc/74/89/10/654748910.db2.gz ORFFKQBVNDYYTM-GFCCVEGCSA-N 1 2 380.222 2.260 20 0 GEADLO COC1(OC)CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C[C@H]1O ZINC000931643830 654750565 /nfs/dbraw/zinc/75/05/65/654750565.db2.gz CHEYFEHEYGLDAB-CYBMUJFWSA-N 1 2 398.257 2.055 20 0 GEADLO COC1(OC)CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C[C@H]1O ZINC000931643830 654750566 /nfs/dbraw/zinc/75/05/66/654750566.db2.gz CHEYFEHEYGLDAB-CYBMUJFWSA-N 1 2 398.257 2.055 20 0 GEADLO [NH3+][C@H](CC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)C(F)F ZINC000912380568 654751750 /nfs/dbraw/zinc/75/17/50/654751750.db2.gz IXXHLTVIMGIESR-LLVKDONJSA-N 1 2 380.222 2.260 20 0 GEADLO COc1cc(Br)c(C[NH2+][C@H]2COCCC2(OC)OC)cc1OC ZINC000931668653 654752287 /nfs/dbraw/zinc/75/22/87/654752287.db2.gz PNBNPXHJBUWAPC-HNNXBMFYSA-N 1 2 390.274 2.334 20 0 GEADLO COC1(OC)CCOC[C@H]1[NH2+]CC(=O)Nc1ccccc1SC(F)F ZINC000931668549 654752302 /nfs/dbraw/zinc/75/23/02/654752302.db2.gz XRXWKPJYUXVKDO-CYBMUJFWSA-N 1 2 376.425 2.307 20 0 GEADLO COC(=O)c1ccc(C[NH2+][C@H]2COCCC2(OC)OC)c(Br)c1 ZINC000931676372 654752944 /nfs/dbraw/zinc/75/29/44/654752944.db2.gz VRHJIKJWCQTYIN-AWEZNQCLSA-N 1 2 388.258 2.103 20 0 GEADLO Cc1c(C(=O)N[C@H]2CCn3c[nH+]cc32)nnn1-c1ccccc1Br ZINC000912583266 654760175 /nfs/dbraw/zinc/76/01/75/654760175.db2.gz CWEQZQPLNGMWIN-LBPRGKRZSA-N 1 2 387.241 2.410 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912615675 654760962 /nfs/dbraw/zinc/76/09/62/654760962.db2.gz UHCLBFONYLKPKX-MRVPVSSYSA-N 1 2 380.417 2.189 20 0 GEADLO CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931915563 654761872 /nfs/dbraw/zinc/76/18/72/654761872.db2.gz HYOZSFYDGPRNCW-ZIAGYGMSSA-N 1 2 381.391 2.490 20 0 GEADLO CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931915563 654761876 /nfs/dbraw/zinc/76/18/76/654761876.db2.gz HYOZSFYDGPRNCW-ZIAGYGMSSA-N 1 2 381.391 2.490 20 0 GEADLO C[C@]1([C@H]2CCC[N@@H+]([C@@H](C(N)=O)c3cccc(Br)c3)C2)COC(=O)N1 ZINC000932018618 654764245 /nfs/dbraw/zinc/76/42/45/654764245.db2.gz BAINLYXOZSXUHF-DXCKQFNASA-N 1 2 396.285 2.186 20 0 GEADLO C[C@]1([C@H]2CCC[N@H+]([C@@H](C(N)=O)c3cccc(Br)c3)C2)COC(=O)N1 ZINC000932018618 654764248 /nfs/dbraw/zinc/76/42/48/654764248.db2.gz BAINLYXOZSXUHF-DXCKQFNASA-N 1 2 396.285 2.186 20 0 GEADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCS[C@@H](C(F)(F)F)C2)CC1 ZINC000932087723 654766579 /nfs/dbraw/zinc/76/65/79/654766579.db2.gz WNUGJOHHMSSUST-WCQYABFASA-N 1 2 382.448 2.156 20 0 GEADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCS[C@@H](C(F)(F)F)C2)CC1 ZINC000932087723 654766581 /nfs/dbraw/zinc/76/65/81/654766581.db2.gz WNUGJOHHMSSUST-WCQYABFASA-N 1 2 382.448 2.156 20 0 GEADLO NS(=O)(=O)c1cc(C[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)co1 ZINC000932623757 654783912 /nfs/dbraw/zinc/78/39/12/654783912.db2.gz ZPESHIASAQAVNY-UHFFFAOYSA-N 1 2 381.523 2.327 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3c(Cl)ncnc3N(C)C)C2)s1 ZINC000932671005 654785240 /nfs/dbraw/zinc/78/52/40/654785240.db2.gz DWEJFOITJPMQBV-SNVBAGLBSA-N 1 2 381.889 2.429 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3c(Cl)ncnc3N(C)C)C2)s1 ZINC000932671005 654785243 /nfs/dbraw/zinc/78/52/43/654785243.db2.gz DWEJFOITJPMQBV-SNVBAGLBSA-N 1 2 381.889 2.429 20 0 GEADLO O[C@H](C[N@@H+]1CCc2c(Cl)ccc(Br)c2C1)C[C@]1(O)CCOC1 ZINC000932754395 654788455 /nfs/dbraw/zinc/78/84/55/654788455.db2.gz PFPBLANASBJNPH-MEDUHNTESA-N 1 2 390.705 2.363 20 0 GEADLO O[C@H](C[N@H+]1CCc2c(Cl)ccc(Br)c2C1)C[C@]1(O)CCOC1 ZINC000932754395 654788459 /nfs/dbraw/zinc/78/84/59/654788459.db2.gz PFPBLANASBJNPH-MEDUHNTESA-N 1 2 390.705 2.363 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000932793934 654790981 /nfs/dbraw/zinc/79/09/81/654790981.db2.gz WDJMQTJMAIHLOD-SMDDNHRTSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000932793934 654790983 /nfs/dbraw/zinc/79/09/83/654790983.db2.gz WDJMQTJMAIHLOD-SMDDNHRTSA-N 1 2 376.266 2.359 20 0 GEADLO O=C(C[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)Nc1cccnn1 ZINC000932815484 654791913 /nfs/dbraw/zinc/79/19/13/654791913.db2.gz NIAUYSQPQZVSIC-KRWDZBQOSA-N 1 2 391.269 2.161 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)Nc1cccnn1 ZINC000932815484 654791914 /nfs/dbraw/zinc/79/19/14/654791914.db2.gz NIAUYSQPQZVSIC-KRWDZBQOSA-N 1 2 391.269 2.161 20 0 GEADLO O=C(N1CC[NH2+][C@@H](c2cn[nH]c2)C1)C1(c2cccc(Br)c2)CC1 ZINC000913443235 654792337 /nfs/dbraw/zinc/79/23/37/654792337.db2.gz NMOQYTJBNUEZMM-OAHLLOKOSA-N 1 2 375.270 2.377 20 0 GEADLO O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913448033 654792485 /nfs/dbraw/zinc/79/24/85/654792485.db2.gz WYZCRYFRUYHRPG-MRXNPFEDSA-N 1 2 388.269 2.369 20 0 GEADLO O=C(CCc1cc(F)ccc1Br)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913451110 654792810 /nfs/dbraw/zinc/79/28/10/654792810.db2.gz IZQMGGNXPLEBFW-HNNXBMFYSA-N 1 2 381.249 2.417 20 0 GEADLO O=C(Cc1c(F)ccc(Br)c1F)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913453271 654792859 /nfs/dbraw/zinc/79/28/59/654792859.db2.gz PLYIHTWSYNQPKQ-ZDUSSCGKSA-N 1 2 385.212 2.166 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)CC[NH2+]2)cn1 ZINC000913459469 654793474 /nfs/dbraw/zinc/79/34/74/654793474.db2.gz CFDPZSYITPKLBZ-GVDBMIGSSA-N 1 2 389.297 2.459 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3cnc(Cl)c(Br)c3)CC[NH2+]2)cn1 ZINC000913460486 654793694 /nfs/dbraw/zinc/79/36/94/654793694.db2.gz JSBWBVFYQFNXIN-LBPRGKRZSA-N 1 2 384.665 2.018 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)CCOc3ccccc3Br)CC[NH2+]2)cn1 ZINC000913468746 654794279 /nfs/dbraw/zinc/79/42/79/654794279.db2.gz PLAMXVPBGGUQSY-OAHLLOKOSA-N 1 2 393.285 2.125 20 0 GEADLO CC(C)n1cc(Br)cc1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913470752 654794523 /nfs/dbraw/zinc/79/45/23/654794523.db2.gz YXEYSOIFMBLNLB-AWEZNQCLSA-N 1 2 380.290 2.352 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3cc(F)c(Br)cc3F)CC[NH2+]2)cn1 ZINC000913474696 654794624 /nfs/dbraw/zinc/79/46/24/654794624.db2.gz OPGAKLPEIBLUMM-CQSZACIVSA-N 1 2 385.212 2.248 20 0 GEADLO Cc1cc(Br)c(F)c(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)c1 ZINC000913475840 654794848 /nfs/dbraw/zinc/79/48/48/654794848.db2.gz OEHLCJCULWPXBD-CQSZACIVSA-N 1 2 381.249 2.417 20 0 GEADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000913533562 654797263 /nfs/dbraw/zinc/79/72/63/654797263.db2.gz RPWQVAVUVNISSN-TXEJJXNPSA-N 1 2 377.238 2.474 20 0 GEADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000913533562 654797266 /nfs/dbraw/zinc/79/72/66/654797266.db2.gz RPWQVAVUVNISSN-TXEJJXNPSA-N 1 2 377.238 2.474 20 0 GEADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000913536801 654797372 /nfs/dbraw/zinc/79/73/72/654797372.db2.gz MLTWVRXTQIFXLY-TXEJJXNPSA-N 1 2 376.254 2.209 20 0 GEADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000913536801 654797376 /nfs/dbraw/zinc/79/73/76/654797376.db2.gz MLTWVRXTQIFXLY-TXEJJXNPSA-N 1 2 376.254 2.209 20 0 GEADLO Cn1cc(C[N@@H+]2CCn3ncc(I)c3C2)c(C(F)F)n1 ZINC000933109336 654802105 /nfs/dbraw/zinc/80/21/05/654802105.db2.gz BTTIBJBCXYHAIV-UHFFFAOYSA-N 1 2 393.179 2.175 20 0 GEADLO Cn1cc(C[N@H+]2CCn3ncc(I)c3C2)c(C(F)F)n1 ZINC000933109336 654802109 /nfs/dbraw/zinc/80/21/09/654802109.db2.gz BTTIBJBCXYHAIV-UHFFFAOYSA-N 1 2 393.179 2.175 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCc2cc(F)c(Br)cc2C1 ZINC000933138497 654803539 /nfs/dbraw/zinc/80/35/39/654803539.db2.gz PUFDKCTUPBNMFE-FZMZJTMJSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCc2cc(F)c(Br)cc2C1 ZINC000933138497 654803540 /nfs/dbraw/zinc/80/35/40/654803540.db2.gz PUFDKCTUPBNMFE-FZMZJTMJSA-N 1 2 376.266 2.359 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](CCCS(=O)(=O)C(C)(C)C)[C@H]([C@@H]2CCCO2)C1 ZINC000933187994 654804357 /nfs/dbraw/zinc/80/43/57/654804357.db2.gz JDUPQCWWQCCIBD-PMPSAXMXSA-N 1 2 375.531 2.022 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)[C@H]([C@@H]2CCCO2)C1 ZINC000933187994 654804360 /nfs/dbraw/zinc/80/43/60/654804360.db2.gz JDUPQCWWQCCIBD-PMPSAXMXSA-N 1 2 375.531 2.022 20 0 GEADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000913688375 654804441 /nfs/dbraw/zinc/80/44/41/654804441.db2.gz BMUIDMUVXIVFDP-LLVKDONJSA-N 1 2 379.258 2.172 20 0 GEADLO COC[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000933332558 654809161 /nfs/dbraw/zinc/80/91/61/654809161.db2.gz JMRZNKWHYGXSFA-QWHCGFSZSA-N 1 2 394.693 2.189 20 0 GEADLO COC[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000933332558 654809162 /nfs/dbraw/zinc/80/91/62/654809162.db2.gz JMRZNKWHYGXSFA-QWHCGFSZSA-N 1 2 394.693 2.189 20 0 GEADLO C[C@H](NC(=O)c1nccc2c(Br)cccc21)[C@H]1CN(C)CC[N@@H+]1C ZINC000933387847 654811247 /nfs/dbraw/zinc/81/12/47/654811247.db2.gz PNOQWABNBDMNIY-BLLLJJGKSA-N 1 2 391.313 2.361 20 0 GEADLO C[C@H](NC(=O)c1nccc2c(Br)cccc21)[C@H]1CN(C)CC[N@H+]1C ZINC000933387847 654811248 /nfs/dbraw/zinc/81/12/48/654811248.db2.gz PNOQWABNBDMNIY-BLLLJJGKSA-N 1 2 391.313 2.361 20 0 GEADLO COCCc1nc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)no1 ZINC000933442514 654813688 /nfs/dbraw/zinc/81/36/88/654813688.db2.gz SHZIVZPQJDZXSH-INIZCTEOSA-N 1 2 384.274 2.104 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cnn(C2CCC2)c1)[N@@H+]1CCc2sccc2C1 ZINC000913906180 654815299 /nfs/dbraw/zinc/81/52/99/654815299.db2.gz KAKZIOSSKHCCLO-ZDUSSCGKSA-N 1 2 380.539 2.395 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cnn(C2CCC2)c1)[N@H+]1CCc2sccc2C1 ZINC000913906180 654815300 /nfs/dbraw/zinc/81/53/00/654815300.db2.gz KAKZIOSSKHCCLO-ZDUSSCGKSA-N 1 2 380.539 2.395 20 0 GEADLO CS(=O)(=O)CC1(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000933639039 654818689 /nfs/dbraw/zinc/81/86/89/654818689.db2.gz RUGGOSVMEUWRHC-MRXNPFEDSA-N 1 2 384.929 2.359 20 0 GEADLO CS(=O)(=O)CC1(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000933639039 654818690 /nfs/dbraw/zinc/81/86/90/654818690.db2.gz RUGGOSVMEUWRHC-MRXNPFEDSA-N 1 2 384.929 2.359 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C1OCCO1)c1ccc(Br)cc1 ZINC000933909018 654829675 /nfs/dbraw/zinc/82/96/75/654829675.db2.gz YOAGNONAQUOALI-IUODEOHRSA-N 1 2 383.286 2.464 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C1OCCO1)c1ccc(Br)cc1 ZINC000933909018 654829678 /nfs/dbraw/zinc/82/96/78/654829678.db2.gz YOAGNONAQUOALI-IUODEOHRSA-N 1 2 383.286 2.464 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000933917121 654829873 /nfs/dbraw/zinc/82/98/73/654829873.db2.gz ZPHLIOZGBGZCFP-GFCCVEGCSA-N 1 2 383.905 2.489 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)N2CCC[C@@H](OCC(F)(F)F)C2)n1 ZINC000914259877 654839629 /nfs/dbraw/zinc/83/96/29/654839629.db2.gz DLXYVARNMSNKDO-GFCCVEGCSA-N 1 2 380.436 2.458 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C/C=C\c1ccc(Br)cc1 ZINC000934323490 654844080 /nfs/dbraw/zinc/84/40/80/654844080.db2.gz ZOMMEYUOERCVMZ-BAHPRDJBSA-N 1 2 397.313 2.004 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1c(Br)cnn1C1CC1 ZINC000934363071 654845721 /nfs/dbraw/zinc/84/57/21/654845721.db2.gz KCWDCHQJHKUDOV-LLVKDONJSA-N 1 2 386.294 2.165 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1c(Br)cnn1C1CC1 ZINC000934371976 654847390 /nfs/dbraw/zinc/84/73/90/654847390.db2.gz QFZNNWIRTOMDEO-DGCLKSJQSA-N 1 2 398.305 2.307 20 0 GEADLO C[C@](CO)([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1cccc(Br)c1 ZINC000934493964 654850698 /nfs/dbraw/zinc/85/06/98/654850698.db2.gz MSGNCXPWZFCWLY-SUMWQHHRSA-N 1 2 395.301 2.074 20 0 GEADLO COC(=O)c1sc2[nH]c(C[N@@H+]3C[C@@H]4CSC[C@]4(C)C3)nc(=O)c2c1C ZINC000934774016 654859059 /nfs/dbraw/zinc/85/90/59/654859059.db2.gz OPYVBVXCHHTKFR-QGHHPUGFSA-N 1 2 379.507 2.265 20 0 GEADLO COC(=O)c1sc2[nH]c(C[N@H+]3C[C@@H]4CSC[C@]4(C)C3)nc(=O)c2c1C ZINC000934774016 654859061 /nfs/dbraw/zinc/85/90/61/654859061.db2.gz OPYVBVXCHHTKFR-QGHHPUGFSA-N 1 2 379.507 2.265 20 0 GEADLO Cc1ccc([C@@H](O)C[N@@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)cc1 ZINC000934786533 654859834 /nfs/dbraw/zinc/85/98/34/654859834.db2.gz WOYHNQVOFYSWHS-ARFHVFGLSA-N 1 2 377.428 2.470 20 0 GEADLO Cc1ccc([C@@H](O)C[N@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)cc1 ZINC000934786533 654859837 /nfs/dbraw/zinc/85/98/37/654859837.db2.gz WOYHNQVOFYSWHS-ARFHVFGLSA-N 1 2 377.428 2.470 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC[C@@H]2c2cncc(Br)c2)CCO1 ZINC000915826956 654880200 /nfs/dbraw/zinc/88/02/00/654880200.db2.gz GBMPHBAQVYEFHU-CZUORRHYSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H]2c2cncc(Br)c2)CCO1 ZINC000915826956 654880202 /nfs/dbraw/zinc/88/02/02/654880202.db2.gz GBMPHBAQVYEFHU-CZUORRHYSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935931781 654928117 /nfs/dbraw/zinc/92/81/17/654928117.db2.gz FBHMKASQMKTUCH-OCCSQVGLSA-N 1 2 393.285 2.032 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ccoc21 ZINC001164698076 719843431 /nfs/dbraw/zinc/84/34/31/719843431.db2.gz FCNSISCFWAXRQY-KPZWWZAWSA-N 1 2 394.859 2.109 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cc(OC)ccc2n1 ZINC001164706762 719849094 /nfs/dbraw/zinc/84/90/94/719849094.db2.gz YKIYIYMYKGLZIH-HTAPYJJXSA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)c2ccccc2n1 ZINC001164698751 719851246 /nfs/dbraw/zinc/85/12/46/719851246.db2.gz DNBDBWIYYAQGIS-KKSFZXQISA-N 1 2 384.480 2.171 20 0 GEADLO CCOc1ccc(Cl)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164698770 719858329 /nfs/dbraw/zinc/85/83/29/719858329.db2.gz DPAAZBWQPRURLZ-IFXJQAMLSA-N 1 2 397.903 2.366 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2[nH]ccc2cc1Cl ZINC001164701108 719859804 /nfs/dbraw/zinc/85/98/04/719859804.db2.gz JILRRCCXOQTWMO-LIRRHRJNSA-N 1 2 392.887 2.401 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(-c2ccccc2)cn1 ZINC001164707870 719867788 /nfs/dbraw/zinc/86/77/88/719867788.db2.gz WPIDYEHEGIJHKK-XMSQKQJNSA-N 1 2 396.491 2.376 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(SC(C)C)nn1 ZINC001164702845 719873464 /nfs/dbraw/zinc/87/34/64/719873464.db2.gz JADZYDNIUFMIDB-DNVCBOLYSA-N 1 2 394.541 2.210 20 0 GEADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1[C@@H](F)Oc1ccc(Cl)nn1 ZINC001164720860 720317007 /nfs/dbraw/zinc/31/70/07/720317007.db2.gz BMWRUOGPAJKXBU-CXAGYDPISA-N 1 2 396.854 2.275 20 0 GEADLO Cc1cc(Cl)nc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)n1 ZINC001164828767 720397205 /nfs/dbraw/zinc/39/72/05/720397205.db2.gz KYSODZHTCMSGNA-UHFFFAOYSA-N 1 2 394.817 2.230 20 0 GEADLO F[C@H](Oc1ccnc(Cl)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164826020 720397613 /nfs/dbraw/zinc/39/76/13/720397613.db2.gz APHHEKCQKJZOQB-INIZCTEOSA-N 1 2 377.811 2.109 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)nc(N(C)C)n1)C2 ZINC001165008023 721694575 /nfs/dbraw/zinc/69/45/75/721694575.db2.gz IBBDFVYUCHLJAT-UHFFFAOYSA-N 1 2 378.912 2.038 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)nc(N(C)C)n1)C2 ZINC001165008023 721694584 /nfs/dbraw/zinc/69/45/84/721694584.db2.gz IBBDFVYUCHLJAT-UHFFFAOYSA-N 1 2 378.912 2.038 20 0 GEADLO COc1cnc(SC)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010378 721695503 /nfs/dbraw/zinc/69/55/03/721695503.db2.gz WAMWQKGWALVQHF-UHFFFAOYSA-N 1 2 377.518 2.049 20 0 GEADLO COc1cnc(SC)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010378 721695505 /nfs/dbraw/zinc/69/55/05/721695505.db2.gz WAMWQKGWALVQHF-UHFFFAOYSA-N 1 2 377.518 2.049 20 0 GEADLO COc1cccc2c1ncnc2N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008507 721698293 /nfs/dbraw/zinc/69/82/93/721698293.db2.gz KESSLQVKIPUCJU-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO COc1cccc2c1ncnc2N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008507 721698295 /nfs/dbraw/zinc/69/82/95/721698295.db2.gz KESSLQVKIPUCJU-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nccc3c1C(=O)OC3(C)C)C2 ZINC001165011352 721700956 /nfs/dbraw/zinc/70/09/56/721700956.db2.gz RJNXAAZIWQPKHV-UHFFFAOYSA-N 1 2 384.484 2.329 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nccc3c1C(=O)OC3(C)C)C2 ZINC001165011352 721700963 /nfs/dbraw/zinc/70/09/63/721700963.db2.gz RJNXAAZIWQPKHV-UHFFFAOYSA-N 1 2 384.484 2.329 20 0 GEADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc5cccnc5n4)CCO3)C2)c1 ZINC001164917112 721780013 /nfs/dbraw/zinc/78/00/13/721780013.db2.gz WVOYCKIWBVDBFD-JOCHJYFZSA-N 1 2 391.475 2.133 20 0 GEADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc5cccnc5n4)CCO3)C2)c1 ZINC001164917112 721780020 /nfs/dbraw/zinc/78/00/20/721780020.db2.gz WVOYCKIWBVDBFD-JOCHJYFZSA-N 1 2 391.475 2.133 20 0 GEADLO CC(C)c1nccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915523 721785100 /nfs/dbraw/zinc/78/51/00/721785100.db2.gz KWAIUEFMMDTGIK-NRFANRHFSA-N 1 2 383.496 2.103 20 0 GEADLO CC(C)c1nccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915523 721785107 /nfs/dbraw/zinc/78/51/07/721785107.db2.gz KWAIUEFMMDTGIK-NRFANRHFSA-N 1 2 383.496 2.103 20 0 GEADLO CSc1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916696 721786306 /nfs/dbraw/zinc/78/63/06/721786306.db2.gz SOEFPOGHXPOGTB-FQEVSTJZSA-N 1 2 386.521 2.306 20 0 GEADLO CSc1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916696 721786311 /nfs/dbraw/zinc/78/63/11/721786311.db2.gz SOEFPOGHXPOGTB-FQEVSTJZSA-N 1 2 386.521 2.306 20 0 GEADLO COC(=O)c1ccc(Cl)c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164917901 721816180 /nfs/dbraw/zinc/81/61/80/721816180.db2.gz PYZXZXCZOMBJOJ-UHFFFAOYSA-N 1 2 389.887 2.468 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc3ncn(C(C)C)c3n2)CC1 ZINC001164918317 721819336 /nfs/dbraw/zinc/81/93/36/721819336.db2.gz NMVSJVMSIUGCLF-UHFFFAOYSA-N 1 2 380.500 2.353 20 0 GEADLO CCCc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nn1 ZINC001164949398 721978971 /nfs/dbraw/zinc/97/89/71/721978971.db2.gz PGOHSSWOEQJESA-UHFFFAOYSA-N 1 2 379.508 2.400 20 0 GEADLO CCCc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nn1 ZINC001164949398 721978973 /nfs/dbraw/zinc/97/89/73/721978973.db2.gz PGOHSSWOEQJESA-UHFFFAOYSA-N 1 2 379.508 2.400 20 0 GEADLO COC[C@]12COC[C@@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164951980 721992092 /nfs/dbraw/zinc/99/20/92/721992092.db2.gz NWKGINHQEWLMCF-PGRDOPGGSA-N 1 2 380.492 2.134 20 0 GEADLO COC[C@]12COC[C@@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164951980 721992094 /nfs/dbraw/zinc/99/20/94/721992094.db2.gz NWKGINHQEWLMCF-PGRDOPGGSA-N 1 2 380.492 2.134 20 0 GEADLO Cn1cc(Br)cc1C[N@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000151459885 531502323 /nfs/dbraw/zinc/50/23/23/531502323.db2.gz ZPWXTDOGYZBOIR-UHFFFAOYSA-N 1 2 386.315 2.198 20 0 GEADLO Cn1cc(Br)cc1C[N@@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000151459885 531502327 /nfs/dbraw/zinc/50/23/27/531502327.db2.gz ZPWXTDOGYZBOIR-UHFFFAOYSA-N 1 2 386.315 2.198 20 0 GEADLO COC(=O)C1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000007636562 531541392 /nfs/dbraw/zinc/54/13/92/531541392.db2.gz PXNMWRCUUIRHHY-UHFFFAOYSA-N 1 2 390.299 2.108 20 0 GEADLO CC(C)(CNC(=O)c1cccc(I)c1)[NH+]1CCOCC1 ZINC000016010843 531570382 /nfs/dbraw/zinc/57/03/82/531570382.db2.gz SXHNRKHDHLVOQS-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO [NH2+]=C1Nc2nc3ccccc3n2[C@]2(N1)C(=O)Nc1ccc(Br)cc12 ZINC000017078240 531572206 /nfs/dbraw/zinc/57/22/06/531572206.db2.gz TWOSYCFWHPZYFZ-INIZCTEOSA-N 1 2 383.209 2.402 20 0 GEADLO COCC[N@H+](Cc1cccc(Br)c1OC(F)F)[C@H](C)C(N)=O ZINC000153057330 531586092 /nfs/dbraw/zinc/58/60/92/531586092.db2.gz XMILLLDZLNJIBL-SECBINFHSA-N 1 2 381.217 2.373 20 0 GEADLO COCC[N@@H+](Cc1cccc(Br)c1OC(F)F)[C@H](C)C(N)=O ZINC000153057330 531586102 /nfs/dbraw/zinc/58/61/02/531586102.db2.gz XMILLLDZLNJIBL-SECBINFHSA-N 1 2 381.217 2.373 20 0 GEADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000023820564 531600239 /nfs/dbraw/zinc/60/02/39/531600239.db2.gz OJAPZYLYJBXHGP-SECBINFHSA-N 1 2 375.256 2.098 20 0 GEADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000023820564 531600242 /nfs/dbraw/zinc/60/02/42/531600242.db2.gz OJAPZYLYJBXHGP-SECBINFHSA-N 1 2 375.256 2.098 20 0 GEADLO C[C@@H](CNC(=O)COc1ccc(I)cc1)Cn1cc[nH+]c1 ZINC000153715835 531607143 /nfs/dbraw/zinc/60/71/43/531607143.db2.gz WRDLSOVGXNVUHN-LBPRGKRZSA-N 1 2 399.232 2.319 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccccc2Br)C1 ZINC000026958217 531620935 /nfs/dbraw/zinc/62/09/35/531620935.db2.gz RCDOZEWTFYWSIG-ZDUSSCGKSA-N 1 2 391.331 2.084 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccccc2Br)C1 ZINC000026958217 531620942 /nfs/dbraw/zinc/62/09/42/531620942.db2.gz RCDOZEWTFYWSIG-ZDUSSCGKSA-N 1 2 391.331 2.084 20 0 GEADLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cncc(Br)c1 ZINC000032017508 531646500 /nfs/dbraw/zinc/64/65/00/531646500.db2.gz XXZBANQEGVFLRP-UHFFFAOYSA-N 1 2 377.242 2.006 20 0 GEADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000030972078 531641608 /nfs/dbraw/zinc/64/16/08/531641608.db2.gz AVDXBITUBHDJLM-HUUCEWRRSA-N 1 2 395.345 2.471 20 0 GEADLO O=C(CCNC(=O)Nc1ccc(Br)cc1)NCCCn1cc[nH+]c1 ZINC000042566503 531669279 /nfs/dbraw/zinc/66/92/79/531669279.db2.gz JSLOVIFHHYBFQY-UHFFFAOYSA-N 1 2 394.273 2.364 20 0 GEADLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccncc2Br)CC1 ZINC000155015104 531650125 /nfs/dbraw/zinc/65/01/25/531650125.db2.gz PWHLIUAXYGRNTK-UHFFFAOYSA-N 1 2 392.301 2.152 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCc2ccc[nH+]c2N(C)C)ccc1Br ZINC000041638922 531666674 /nfs/dbraw/zinc/66/66/74/531666674.db2.gz XWFDDQZJSLEJRO-UHFFFAOYSA-N 1 2 391.269 2.473 20 0 GEADLO C[C@H](CNC(=O)Nc1ccccc1I)[NH+]1CCOCC1 ZINC000043157759 531677670 /nfs/dbraw/zinc/67/76/70/531677670.db2.gz PSDFZCLPGJYLQR-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO C[C@@H](CNC(=O)Nc1ccccc1I)[NH+]1CCOCC1 ZINC000043157758 531678151 /nfs/dbraw/zinc/67/81/51/531678151.db2.gz PSDFZCLPGJYLQR-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000044535007 531682465 /nfs/dbraw/zinc/68/24/65/531682465.db2.gz COTJXJKXGZPXDP-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)c(Br)c1 ZINC000044535582 531683418 /nfs/dbraw/zinc/68/34/18/531683418.db2.gz KLIQTXRDNXZPKM-UONOGXRCSA-N 1 2 385.302 2.362 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000045203458 531690993 /nfs/dbraw/zinc/69/09/93/531690993.db2.gz ZPRVLBNPGACTBN-LBPRGKRZSA-N 1 2 391.269 2.194 20 0 GEADLO CC[C@H]1CCC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000048058617 531726619 /nfs/dbraw/zinc/72/66/19/531726619.db2.gz DILKGLUOKOFQQF-JKSUJKDBSA-N 1 2 384.567 2.386 20 0 GEADLO CC[C@H]1CCC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000048058617 531726623 /nfs/dbraw/zinc/72/66/23/531726623.db2.gz DILKGLUOKOFQQF-JKSUJKDBSA-N 1 2 384.567 2.386 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000156292931 531727273 /nfs/dbraw/zinc/72/72/73/531727273.db2.gz NYPWWFGBVDEECW-BXKDBHETSA-N 1 2 386.823 2.356 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000156292931 531727282 /nfs/dbraw/zinc/72/72/82/531727282.db2.gz NYPWWFGBVDEECW-BXKDBHETSA-N 1 2 386.823 2.356 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)COc1ccc(I)cc1 ZINC000048375661 531729534 /nfs/dbraw/zinc/72/95/34/531729534.db2.gz CQZILVXJAGRWIO-UHFFFAOYSA-N 1 2 385.205 2.062 20 0 GEADLO C[C@H](O)C[C@H]1COCC[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000157494704 531744016 /nfs/dbraw/zinc/74/40/16/531744016.db2.gz LGINJQNRFZWXML-JSGCOSHPSA-N 1 2 375.296 2.424 20 0 GEADLO C[C@H](O)C[C@H]1COCC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000157494704 531744026 /nfs/dbraw/zinc/74/40/26/531744026.db2.gz LGINJQNRFZWXML-JSGCOSHPSA-N 1 2 375.296 2.424 20 0 GEADLO Cc1cc(NC(=O)CN(C)Cc2cn3cc(Br)ccc3[nH+]2)no1 ZINC000051593657 531744835 /nfs/dbraw/zinc/74/48/35/531744835.db2.gz KFICKNNPTGXGOS-UHFFFAOYSA-N 1 2 378.230 2.464 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000051906245 531746464 /nfs/dbraw/zinc/74/64/64/531746464.db2.gz KODKBURYOPPJPS-UHFFFAOYSA-N 1 2 390.347 2.316 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000051906245 531746472 /nfs/dbraw/zinc/74/64/72/531746472.db2.gz KODKBURYOPPJPS-UHFFFAOYSA-N 1 2 390.347 2.316 20 0 GEADLO Cc1nc(N2CC[NH+]([C@H]3CCCN(CC(F)(F)F)C3=O)CC2)sc1C ZINC000157612719 531749398 /nfs/dbraw/zinc/74/93/98/531749398.db2.gz PDCKUKIJVSCHME-ZDUSSCGKSA-N 1 2 376.448 2.435 20 0 GEADLO CCc1nc(CN2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)no1 ZINC000157735144 531754082 /nfs/dbraw/zinc/75/40/82/531754082.db2.gz AYDPXLJLNGFWEJ-OAHLLOKOSA-N 1 2 395.301 2.246 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000157798985 531755518 /nfs/dbraw/zinc/75/55/18/531755518.db2.gz IRQIBINEVGJVLB-XNJGSVPQSA-N 1 2 397.313 2.493 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000157798985 531755526 /nfs/dbraw/zinc/75/55/26/531755526.db2.gz IRQIBINEVGJVLB-XNJGSVPQSA-N 1 2 397.313 2.493 20 0 GEADLO CSc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000053219075 531757772 /nfs/dbraw/zinc/75/77/72/531757772.db2.gz FFJQXZSJUXYUDG-HNNXBMFYSA-N 1 2 385.555 2.141 20 0 GEADLO CSc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000053219075 531757779 /nfs/dbraw/zinc/75/77/79/531757779.db2.gz FFJQXZSJUXYUDG-HNNXBMFYSA-N 1 2 385.555 2.141 20 0 GEADLO O=C(C[NH+]1CCC(N2CCNC2=O)CC1)Nc1ccc(Br)cc1F ZINC000053281783 531759691 /nfs/dbraw/zinc/75/96/91/531759691.db2.gz CALUUNUEOABINO-UHFFFAOYSA-N 1 2 399.264 2.016 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1sccc1Br ZINC000052845310 531750920 /nfs/dbraw/zinc/75/09/20/531750920.db2.gz MDMJIRQZTPVABT-CQSZACIVSA-N 1 2 391.356 2.448 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)c(C)c2)CC1 ZINC000158273372 531773834 /nfs/dbraw/zinc/77/38/34/531773834.db2.gz YGBZCNONENIPAZ-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)c(C)c2)CC1 ZINC000158273372 531773841 /nfs/dbraw/zinc/77/38/41/531773841.db2.gz YGBZCNONENIPAZ-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO COC(=O)C(C)(C)CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000158340445 531775393 /nfs/dbraw/zinc/77/53/93/531775393.db2.gz HVCVHTQINZANHO-UHFFFAOYSA-N 1 2 383.246 2.095 20 0 GEADLO O=C(NCCCO[C@H]1CCOC1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000158340284 531776454 /nfs/dbraw/zinc/77/64/54/531776454.db2.gz MBWGLNWKTVRWFK-AWEZNQCLSA-N 1 2 397.273 2.092 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCCCn1cc[nH+]c1 ZINC000054375337 531776736 /nfs/dbraw/zinc/77/67/36/531776736.db2.gz AFRZMLKZMYEWCQ-UHFFFAOYSA-N 1 2 394.273 2.282 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000055244540 531786407 /nfs/dbraw/zinc/78/64/07/531786407.db2.gz YUDCOQKIJBYTEI-SNVBAGLBSA-N 1 2 388.946 2.169 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000055244540 531786414 /nfs/dbraw/zinc/78/64/14/531786414.db2.gz YUDCOQKIJBYTEI-SNVBAGLBSA-N 1 2 388.946 2.169 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)c1ccccc1C(F)(F)F)[NH+]1CCOCC1 ZINC000055527031 531791533 /nfs/dbraw/zinc/79/15/33/531791533.db2.gz LBBUWHFYGYSNKS-CQSZACIVSA-N 1 2 380.432 2.341 20 0 GEADLO C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)c[nH+]2)CCO1 ZINC000056064896 531802888 /nfs/dbraw/zinc/80/28/88/531802888.db2.gz PXSQWUKSQIGQJU-CYBMUJFWSA-N 1 2 381.885 2.439 20 0 GEADLO COc1cc(C(F)(F)F)nc(NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000623885224 531826984 /nfs/dbraw/zinc/82/69/84/531826984.db2.gz UFBXAVPVOWZGEN-AWEZNQCLSA-N 1 2 378.420 2.124 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1cc(Br)ccc1F ZINC000057612818 531821317 /nfs/dbraw/zinc/82/13/17/531821317.db2.gz DSVDZOJROBGNDB-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)c(Br)c1 ZINC000058773379 531837338 /nfs/dbraw/zinc/83/73/38/531837338.db2.gz YDXDXYFHNVAATP-UHFFFAOYSA-N 1 2 382.302 2.496 20 0 GEADLO C[N@H+](CC(=O)NCCCN1CCCC1=O)Cc1cc(Br)cs1 ZINC000061042030 531849631 /nfs/dbraw/zinc/84/96/31/531849631.db2.gz PDYPNRKGMWCAFC-UHFFFAOYSA-N 1 2 388.331 2.071 20 0 GEADLO C[N@@H+](CC(=O)NCCCN1CCCC1=O)Cc1cc(Br)cs1 ZINC000061042030 531849635 /nfs/dbraw/zinc/84/96/35/531849635.db2.gz PDYPNRKGMWCAFC-UHFFFAOYSA-N 1 2 388.331 2.071 20 0 GEADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)c3coc(Br)c3)CC2)cc1 ZINC000060476221 531843127 /nfs/dbraw/zinc/84/31/27/531843127.db2.gz IYERFZRJDZAAME-UHFFFAOYSA-N 1 2 392.253 2.099 20 0 GEADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCOCC1(C)C ZINC000064517910 531866421 /nfs/dbraw/zinc/86/64/21/531866421.db2.gz WRCJCCOGMHQZEW-UHFFFAOYSA-N 1 2 385.302 2.397 20 0 GEADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCOCC1(C)C ZINC000064517910 531866428 /nfs/dbraw/zinc/86/64/28/531866428.db2.gz WRCJCCOGMHQZEW-UHFFFAOYSA-N 1 2 385.302 2.397 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000063616090 531859207 /nfs/dbraw/zinc/85/92/07/531859207.db2.gz CWZPKKDDHNJEOA-JTQLQIEISA-N 1 2 381.230 2.262 20 0 GEADLO CN(C)c1nc2sc(C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)cc2s1 ZINC000063662802 531859459 /nfs/dbraw/zinc/85/94/59/531859459.db2.gz FHVVVABFSKXIFK-LBPRGKRZSA-N 1 2 380.539 2.361 20 0 GEADLO CN(CC1CC1)C(=O)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163865800 531864425 /nfs/dbraw/zinc/86/44/25/531864425.db2.gz DVNWILOZSGFBAC-UHFFFAOYSA-N 1 2 380.330 2.435 20 0 GEADLO C[C@@H](CCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[S@@](C)=O ZINC000163851423 531865263 /nfs/dbraw/zinc/86/52/63/531865263.db2.gz RVNMQFSIWYZJKO-MGUXCZDKSA-N 1 2 387.303 2.053 20 0 GEADLO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000066406644 531874226 /nfs/dbraw/zinc/87/42/26/531874226.db2.gz IUALGXCKICARRC-OWCLPIDISA-N 1 2 384.567 2.242 20 0 GEADLO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000066406644 531874232 /nfs/dbraw/zinc/87/42/32/531874232.db2.gz IUALGXCKICARRC-OWCLPIDISA-N 1 2 384.567 2.242 20 0 GEADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000067130976 531876004 /nfs/dbraw/zinc/87/60/04/531876004.db2.gz OORVJWLANGSQMY-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO O[C@@H](CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)C[NH+]1CCOCC1 ZINC000067228228 531879268 /nfs/dbraw/zinc/87/92/68/531879268.db2.gz AYOQOUYKKOHTPV-PBHICJAKSA-N 1 2 375.296 2.060 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1C ZINC000167925462 531880492 /nfs/dbraw/zinc/88/04/92/531880492.db2.gz HYPMLVRFHGBWLL-GDBMZVCRSA-N 1 2 386.880 2.245 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1C ZINC000167925462 531880498 /nfs/dbraw/zinc/88/04/98/531880498.db2.gz HYPMLVRFHGBWLL-GDBMZVCRSA-N 1 2 386.880 2.245 20 0 GEADLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Br)cn3)c[nH+]2)CCO1 ZINC000170756962 531892013 /nfs/dbraw/zinc/89/20/13/531892013.db2.gz JCVGEILQZPZNSX-GFCCVEGCSA-N 1 2 391.269 2.394 20 0 GEADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000067403506 531885426 /nfs/dbraw/zinc/88/54/26/531885426.db2.gz YVDYVCHDLDHFRA-AWEZNQCLSA-N 1 2 386.323 2.358 20 0 GEADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000170723664 531890636 /nfs/dbraw/zinc/89/06/36/531890636.db2.gz AHPOPCGPSAIZFV-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO Cn1cnc(S(=O)(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000069098465 531911504 /nfs/dbraw/zinc/91/15/04/531911504.db2.gz VYIKNFYRCBRJOT-CQSZACIVSA-N 1 2 386.880 2.328 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1F)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069868739 531913041 /nfs/dbraw/zinc/91/30/41/531913041.db2.gz UDUPRFASUSBERG-ZDUSSCGKSA-N 1 2 376.881 2.212 20 0 GEADLO CCO[C@@H](C)c1nc(C[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)cs1 ZINC000076729127 531917031 /nfs/dbraw/zinc/91/70/31/531917031.db2.gz ZDUATVTYFDTABH-ZDUSSCGKSA-N 1 2 375.560 2.487 20 0 GEADLO CC[C@@H](CSC)[N@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000091098222 531923642 /nfs/dbraw/zinc/92/36/42/531923642.db2.gz ABVOMYNMPKGXMT-GOEBONIOSA-N 1 2 376.588 2.018 20 0 GEADLO CC[C@@H](CSC)[N@@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000091098222 531923644 /nfs/dbraw/zinc/92/36/44/531923644.db2.gz ABVOMYNMPKGXMT-GOEBONIOSA-N 1 2 376.588 2.018 20 0 GEADLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2ccc(Br)cn2)CC1 ZINC000171972769 531928649 /nfs/dbraw/zinc/92/86/49/531928649.db2.gz NRCMZAPRGLYSGF-UHFFFAOYSA-N 1 2 398.301 2.078 20 0 GEADLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2ccc(Br)cn2)CC1 ZINC000171972769 531928656 /nfs/dbraw/zinc/92/86/56/531928656.db2.gz NRCMZAPRGLYSGF-UHFFFAOYSA-N 1 2 398.301 2.078 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1Cl ZINC000105739597 531941249 /nfs/dbraw/zinc/94/12/49/531941249.db2.gz OQAAGVYALQKAKE-VXGBXAGGSA-N 1 2 388.295 2.466 20 0 GEADLO NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CC=C(c3cccs3)CC2)cc1 ZINC000117893778 531961826 /nfs/dbraw/zinc/96/18/26/531961826.db2.gz ZOODNLYFQAFQOU-UHFFFAOYSA-N 1 2 377.491 2.123 20 0 GEADLO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CC=C(c3cccs3)CC2)cc1 ZINC000117893778 531961831 /nfs/dbraw/zinc/96/18/31/531961831.db2.gz ZOODNLYFQAFQOU-UHFFFAOYSA-N 1 2 377.491 2.123 20 0 GEADLO COC[C@@H](C)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000117921431 531962243 /nfs/dbraw/zinc/96/22/43/531962243.db2.gz CHWLBZROSOEBRW-DOMZBBRYSA-N 1 2 378.897 2.398 20 0 GEADLO COC[C@@H](C)S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000117921431 531962246 /nfs/dbraw/zinc/96/22/46/531962246.db2.gz CHWLBZROSOEBRW-DOMZBBRYSA-N 1 2 378.897 2.398 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000113931699 531953113 /nfs/dbraw/zinc/95/31/13/531953113.db2.gz YVQAMSRWGCPVFT-JTQLQIEISA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000113931699 531953120 /nfs/dbraw/zinc/95/31/20/531953120.db2.gz YVQAMSRWGCPVFT-JTQLQIEISA-N 1 2 396.738 2.108 20 0 GEADLO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172759543 531967825 /nfs/dbraw/zinc/96/78/25/531967825.db2.gz COBVVXDQEHZYKR-YESZJQIVSA-N 1 2 379.298 2.486 20 0 GEADLO Cc1cccn2cc(CS(=O)(=O)CC(=O)N[C@@H](C)c3cccs3)[nH+]c12 ZINC000120761176 531993974 /nfs/dbraw/zinc/99/39/74/531993974.db2.gz XLQSXYOUXWTPKU-ZDUSSCGKSA-N 1 2 377.491 2.496 20 0 GEADLO Cc1c(C(=O)NCCc2[nH]cc[nH+]2)nnn1-c1cccc(Br)c1 ZINC000172992704 531979313 /nfs/dbraw/zinc/97/93/13/531979313.db2.gz PWGMDTCPGXFHMA-UHFFFAOYSA-N 1 2 375.230 2.034 20 0 GEADLO Cc1cc(NCCNC(=O)c2nn(C)cc2Br)nc(C(C)C)[nH+]1 ZINC000628824701 531979545 /nfs/dbraw/zinc/97/95/45/531979545.db2.gz HFANGYXHFWITQD-UHFFFAOYSA-N 1 2 381.278 2.246 20 0 GEADLO C[C@@H](O)[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000120690735 531990854 /nfs/dbraw/zinc/99/08/54/531990854.db2.gz SCTRMTDTDBSYPQ-CHWSQXEVSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H](O)[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000120690735 531990859 /nfs/dbraw/zinc/99/08/59/531990859.db2.gz SCTRMTDTDBSYPQ-CHWSQXEVSA-N 1 2 376.316 2.316 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000120799812 531996328 /nfs/dbraw/zinc/99/63/28/531996328.db2.gz IVNDRINXUDIZNV-AWEZNQCLSA-N 1 2 382.873 2.046 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000120799812 531996334 /nfs/dbraw/zinc/99/63/34/531996334.db2.gz IVNDRINXUDIZNV-AWEZNQCLSA-N 1 2 382.873 2.046 20 0 GEADLO Cc1nc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cn1C ZINC000121013170 532008459 /nfs/dbraw/zinc/00/84/59/532008459.db2.gz HWNDOTLMZNHDBR-UHFFFAOYSA-N 1 2 382.917 2.279 20 0 GEADLO Cc1nc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cn1C ZINC000121013170 532008464 /nfs/dbraw/zinc/00/84/64/532008464.db2.gz HWNDOTLMZNHDBR-UHFFFAOYSA-N 1 2 382.917 2.279 20 0 GEADLO O=C(CCn1cc(Br)ccc1=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121086199 532010835 /nfs/dbraw/zinc/01/08/35/532010835.db2.gz ZMMVVGPTWDCHHP-OAHLLOKOSA-N 1 2 392.253 2.076 20 0 GEADLO O=S(=O)(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(Cl)s1 ZINC000121357568 532024627 /nfs/dbraw/zinc/02/46/27/532024627.db2.gz QIFNFHZFHRZHTC-ZIAGYGMSSA-N 1 2 386.926 2.315 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000121397982 532027513 /nfs/dbraw/zinc/02/75/13/532027513.db2.gz HXDWNPLGZDEZEV-ZDUSSCGKSA-N 1 2 381.263 2.439 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000121440996 532028857 /nfs/dbraw/zinc/02/88/57/532028857.db2.gz SPPQGOSMYQPSHB-OAHLLOKOSA-N 1 2 383.495 2.119 20 0 GEADLO NC(=O)c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)cc1 ZINC000173812269 532035806 /nfs/dbraw/zinc/03/58/06/532035806.db2.gz JRBNCBRQOIWCFZ-AWEZNQCLSA-N 1 2 380.217 2.003 20 0 GEADLO O=C(CC1CS(=O)(=O)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000632849041 532042362 /nfs/dbraw/zinc/04/23/62/532042362.db2.gz PFGPJJLOQXUJAT-UHFFFAOYSA-N 1 2 381.885 2.000 20 0 GEADLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)C(=O)NCc1ccco1 ZINC000174011318 532045948 /nfs/dbraw/zinc/04/59/48/532045948.db2.gz KFUAKBKEMIYRMS-OTYXRUKQSA-N 1 2 398.232 2.002 20 0 GEADLO CCC[N@H+](CC(=O)NC)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000174160995 532053903 /nfs/dbraw/zinc/05/39/03/532053903.db2.gz BKLIMMBSFHQFOW-UHFFFAOYSA-N 1 2 378.217 2.124 20 0 GEADLO CCC[N@@H+](CC(=O)NC)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000174160995 532053908 /nfs/dbraw/zinc/05/39/08/532053908.db2.gz BKLIMMBSFHQFOW-UHFFFAOYSA-N 1 2 378.217 2.124 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000174128316 532051957 /nfs/dbraw/zinc/05/19/57/532051957.db2.gz IBRTZOKKRIOPEE-CQSZACIVSA-N 1 2 395.352 2.156 20 0 GEADLO OC[C@@H](O)C[N@H+](CCC(F)(F)F)Cc1nnc(-c2ccccc2Cl)o1 ZINC000122170926 532060020 /nfs/dbraw/zinc/06/00/20/532060020.db2.gz KRFVIIFEOGYXCC-JTQLQIEISA-N 1 2 379.766 2.498 20 0 GEADLO OC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1nnc(-c2ccccc2Cl)o1 ZINC000122170926 532060025 /nfs/dbraw/zinc/06/00/25/532060025.db2.gz KRFVIIFEOGYXCC-JTQLQIEISA-N 1 2 379.766 2.498 20 0 GEADLO C[C@@H](NS(=O)(=O)Cc1ccc(Cl)nc1)C1([NH+]2CCOCC2)CCCC1 ZINC000122448511 532070163 /nfs/dbraw/zinc/07/01/63/532070163.db2.gz DCCNDHWREIKZMW-CQSZACIVSA-N 1 2 387.933 2.188 20 0 GEADLO C[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccc(Cl)nc1 ZINC000174581961 532071186 /nfs/dbraw/zinc/07/11/86/532071186.db2.gz ZXJUWDVOVVWZGF-UHFFFAOYSA-N 1 2 378.885 2.455 20 0 GEADLO C[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccc(Cl)nc1 ZINC000174581961 532071195 /nfs/dbraw/zinc/07/11/95/532071195.db2.gz ZXJUWDVOVVWZGF-UHFFFAOYSA-N 1 2 378.885 2.455 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174920346 532084603 /nfs/dbraw/zinc/08/46/03/532084603.db2.gz HVTLSZNKTSOLMQ-ZDUSSCGKSA-N 1 2 392.301 2.332 20 0 GEADLO CC[C@](C)(O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000123026341 532090773 /nfs/dbraw/zinc/09/07/73/532090773.db2.gz JFDLBDZUUXPWRE-HNNXBMFYSA-N 1 2 381.325 2.461 20 0 GEADLO COc1ccc(Br)c(CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000123319397 532097860 /nfs/dbraw/zinc/09/78/60/532097860.db2.gz MOKIBZQOEDFKFP-ZDUSSCGKSA-N 1 2 396.329 2.242 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cn(C)c(Cl)n1)c1cccc(F)c1 ZINC000123549060 532101509 /nfs/dbraw/zinc/10/15/09/532101509.db2.gz KPKCUTAQSZULMF-CYBMUJFWSA-N 1 2 383.836 2.014 20 0 GEADLO O=S(=O)(c1ccccc1C(F)(F)F)N1CC[NH+](C2CCOCC2)CC1 ZINC000175464900 532104319 /nfs/dbraw/zinc/10/43/19/532104319.db2.gz CLFPQLXOYLGHRK-UHFFFAOYSA-N 1 2 378.416 2.191 20 0 GEADLO CC(C)S(=O)(=O)CC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123775683 532107850 /nfs/dbraw/zinc/10/78/50/532107850.db2.gz NMLJJVZGIIRABL-CXAGYDPISA-N 1 2 390.908 2.411 20 0 GEADLO CC(C)S(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123775683 532107852 /nfs/dbraw/zinc/10/78/52/532107852.db2.gz NMLJJVZGIIRABL-CXAGYDPISA-N 1 2 390.908 2.411 20 0 GEADLO C[C@@H](O)C1CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000175666108 532111285 /nfs/dbraw/zinc/11/12/85/532111285.db2.gz NAUOWOUGGBOQHY-GFCCVEGCSA-N 1 2 376.316 2.316 20 0 GEADLO CCS(=O)(=O)CC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123964895 532111463 /nfs/dbraw/zinc/11/14/63/532111463.db2.gz CWCUGWCJBOJOND-MLGOLLRUSA-N 1 2 376.881 2.023 20 0 GEADLO CCS(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123964895 532111466 /nfs/dbraw/zinc/11/14/66/532111466.db2.gz CWCUGWCJBOJOND-MLGOLLRUSA-N 1 2 376.881 2.023 20 0 GEADLO COc1nc(N2CC[NH+](Cc3c(C)noc3C)CC2)ncc1Br ZINC000175867530 532117732 /nfs/dbraw/zinc/11/77/32/532117732.db2.gz LDZLTPIRPCFPPJ-UHFFFAOYSA-N 1 2 382.262 2.175 20 0 GEADLO O=C([C@@H]1CCNC(=O)C1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000124456755 532121642 /nfs/dbraw/zinc/12/16/42/532121642.db2.gz MOJSROHVGGKURX-CQSZACIVSA-N 1 2 384.307 2.206 20 0 GEADLO CCS(=O)(=O)CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123964631 532111903 /nfs/dbraw/zinc/11/19/03/532111903.db2.gz CWCUGWCJBOJOND-BLLLJJGKSA-N 1 2 376.881 2.023 20 0 GEADLO CCS(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123964631 532111906 /nfs/dbraw/zinc/11/19/06/532111906.db2.gz CWCUGWCJBOJOND-BLLLJJGKSA-N 1 2 376.881 2.023 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH+]1CCC(CO)CC1 ZINC000124022187 532112822 /nfs/dbraw/zinc/11/28/22/532112822.db2.gz CMLUQVHSZFHMFY-UHFFFAOYSA-N 1 2 375.252 2.423 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC(C(F)(F)F)CC1 ZINC000175804870 532115256 /nfs/dbraw/zinc/11/52/56/532115256.db2.gz CVEAVKPXOQYCQC-OAHLLOKOSA-N 1 2 381.464 2.178 20 0 GEADLO Cc1nc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)sc1Br ZINC000125550466 532138622 /nfs/dbraw/zinc/13/86/22/532138622.db2.gz ZJSJLUNRQDRBJH-UHFFFAOYSA-N 1 2 391.316 2.436 20 0 GEADLO CCOC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000176243178 532131628 /nfs/dbraw/zinc/13/16/28/532131628.db2.gz LJTGAIKFSLDKKO-UHFFFAOYSA-N 1 2 397.313 2.479 20 0 GEADLO CCOC(=O)C[N@H+]1CCCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000176243178 532131631 /nfs/dbraw/zinc/13/16/31/532131631.db2.gz LJTGAIKFSLDKKO-UHFFFAOYSA-N 1 2 397.313 2.479 20 0 GEADLO CCN(CC)C(=O)CCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000125000732 532131807 /nfs/dbraw/zinc/13/18/07/532131807.db2.gz CLJFRMFDUHQBOE-UHFFFAOYSA-N 1 2 381.274 2.362 20 0 GEADLO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)cc(Br)c1O ZINC000176291621 532133376 /nfs/dbraw/zinc/13/33/76/532133376.db2.gz RHJCPFUEACUCOY-SNVBAGLBSA-N 1 2 390.709 2.174 20 0 GEADLO CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000176451880 532138085 /nfs/dbraw/zinc/13/80/85/532138085.db2.gz BFOFWOPDFVEUTO-NWLBTCKQSA-N 1 2 383.583 2.485 20 0 GEADLO CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000176451880 532138087 /nfs/dbraw/zinc/13/80/87/532138087.db2.gz BFOFWOPDFVEUTO-NWLBTCKQSA-N 1 2 383.583 2.485 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)Cc1cnn(C)c1 ZINC000126921140 532151279 /nfs/dbraw/zinc/15/12/79/532151279.db2.gz YKCHWHLCKCDXLN-NSHDSACASA-N 1 2 398.248 2.484 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)Cc1cnn(C)c1 ZINC000126921140 532151280 /nfs/dbraw/zinc/15/12/80/532151280.db2.gz YKCHWHLCKCDXLN-NSHDSACASA-N 1 2 398.248 2.484 20 0 GEADLO Cn1cc[nH+]c1CS(=O)(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000176904353 532154729 /nfs/dbraw/zinc/15/47/29/532154729.db2.gz QBVIRFWQKSAFRI-UHFFFAOYSA-N 1 2 375.372 2.383 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000125743172 532141820 /nfs/dbraw/zinc/14/18/20/532141820.db2.gz UXCFWKIZKKHDFL-BXKDBHETSA-N 1 2 386.823 2.356 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000125743172 532141825 /nfs/dbraw/zinc/14/18/25/532141825.db2.gz UXCFWKIZKKHDFL-BXKDBHETSA-N 1 2 386.823 2.356 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000176569610 532142012 /nfs/dbraw/zinc/14/20/12/532142012.db2.gz SXLVBWJSBSZXMT-ZDUSSCGKSA-N 1 2 378.416 2.064 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)s2)cs1 ZINC000125946099 532144178 /nfs/dbraw/zinc/14/41/78/532144178.db2.gz MPHOLXVALLPGCR-ZWNOBZJWSA-N 1 2 387.552 2.177 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)s2)cs1 ZINC000125946099 532144181 /nfs/dbraw/zinc/14/41/81/532144181.db2.gz MPHOLXVALLPGCR-ZWNOBZJWSA-N 1 2 387.552 2.177 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(Br)cc(Cl)c2O)C[C@H]1C ZINC000176663681 532144647 /nfs/dbraw/zinc/14/46/47/532144647.db2.gz XKMJCZSCEFIYGY-NXEZZACHSA-N 1 2 391.693 2.335 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(Br)cc(Cl)c2O)C[C@H]1C ZINC000176663681 532144652 /nfs/dbraw/zinc/14/46/52/532144652.db2.gz XKMJCZSCEFIYGY-NXEZZACHSA-N 1 2 391.693 2.335 20 0 GEADLO COC(=O)CC1(CS(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000176638794 532144812 /nfs/dbraw/zinc/14/48/12/532144812.db2.gz VKZQCKRNBAEONY-OAHLLOKOSA-N 1 2 388.917 2.205 20 0 GEADLO CCOC(=O)c1c(NC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)sc(C)c1CC ZINC000126526047 532149753 /nfs/dbraw/zinc/14/97/53/532149753.db2.gz MYGHWAJTWLCJNH-JPQMIFPKSA-N 1 2 388.555 2.433 20 0 GEADLO CCOC(=O)c1c(NC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)sc(C)c1CC ZINC000126526047 532149757 /nfs/dbraw/zinc/14/97/57/532149757.db2.gz MYGHWAJTWLCJNH-JPQMIFPKSA-N 1 2 388.555 2.433 20 0 GEADLO CCS(=O)(=O)CC[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000128685857 532166792 /nfs/dbraw/zinc/16/67/92/532166792.db2.gz WTSYUEQLMKCQDF-UHFFFAOYSA-N 1 2 377.304 2.144 20 0 GEADLO CCS(=O)(=O)CC[N@@H+](C)CCC(=O)Nc1ccccc1Br ZINC000128685857 532166797 /nfs/dbraw/zinc/16/67/97/532166797.db2.gz WTSYUEQLMKCQDF-UHFFFAOYSA-N 1 2 377.304 2.144 20 0 GEADLO Cc1nc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1Br ZINC000128798947 532168613 /nfs/dbraw/zinc/16/86/13/532168613.db2.gz DFSREJVAGCSOGU-CYBMUJFWSA-N 1 2 383.290 2.481 20 0 GEADLO CC(=O)NCCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000177367803 532169749 /nfs/dbraw/zinc/16/97/49/532169749.db2.gz URRSMXJOSWZRLJ-MRXNPFEDSA-N 1 2 382.302 2.228 20 0 GEADLO CC(C)N1CCC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Br)cn2)C1=O ZINC000177702597 532179956 /nfs/dbraw/zinc/17/99/56/532179956.db2.gz YCYUZMUDOMJBLL-CYBMUJFWSA-N 1 2 383.290 2.114 20 0 GEADLO CC(C)N1CCC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Br)cn2)C1=O ZINC000177702597 532179960 /nfs/dbraw/zinc/17/99/60/532179960.db2.gz YCYUZMUDOMJBLL-CYBMUJFWSA-N 1 2 383.290 2.114 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCc2cc(Br)cc(F)c21 ZINC000177846749 532185017 /nfs/dbraw/zinc/18/50/17/532185017.db2.gz SNIQLDTUCSZAKD-NSHDSACASA-N 1 2 386.265 2.381 20 0 GEADLO NS(=O)(=O)CC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000129867746 532185499 /nfs/dbraw/zinc/18/54/99/532185499.db2.gz MESLFLGTJCGOSS-UHFFFAOYSA-N 1 2 377.388 2.347 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000129855695 532185534 /nfs/dbraw/zinc/18/55/34/532185534.db2.gz NZWMUWIPQOTVPZ-UHFFFAOYSA-N 1 2 383.221 2.272 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c(Cl)c1 ZINC000178405375 532201035 /nfs/dbraw/zinc/20/10/35/532201035.db2.gz WBHFFBOHBRAXTB-UHFFFAOYSA-N 1 2 379.825 2.253 20 0 GEADLO Cc1ccc(I)cc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000131512339 532198882 /nfs/dbraw/zinc/19/88/82/532198882.db2.gz RGQIYINDKNIROO-LBPRGKRZSA-N 1 2 388.249 2.050 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)Nc1ccc(Br)cc1F ZINC000178029113 532190951 /nfs/dbraw/zinc/19/09/51/532190951.db2.gz HPNDBZVAFSNSHE-UHFFFAOYSA-N 1 2 391.200 2.491 20 0 GEADLO O=S(=O)(NCC(F)(F)F)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000131935051 532206497 /nfs/dbraw/zinc/20/64/97/532206497.db2.gz DKLDVZSJYKCKJN-UHFFFAOYSA-N 1 2 385.839 2.291 20 0 GEADLO Cc1cc(S(=O)(=O)NCCNC(=O)Nc2ccc(C)[nH+]c2C)c(C)s1 ZINC000178959387 532218961 /nfs/dbraw/zinc/21/89/61/532218961.db2.gz ZWMRLAIXLKNFFR-UHFFFAOYSA-N 1 2 382.511 2.477 20 0 GEADLO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178611632 532207546 /nfs/dbraw/zinc/20/75/46/532207546.db2.gz IEWVWVGDJXCAEI-ZDUSSCGKSA-N 1 2 378.270 2.233 20 0 GEADLO O=C(CCc1cc(Cl)ccc1Br)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178629869 532208506 /nfs/dbraw/zinc/20/85/06/532208506.db2.gz KSABNFCPQCGQNO-CQSZACIVSA-N 1 2 386.721 2.151 20 0 GEADLO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178735268 532211022 /nfs/dbraw/zinc/21/10/22/532211022.db2.gz IUHDVTSVJVVOQE-NVXWUHKLSA-N 1 2 380.330 2.134 20 0 GEADLO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178735280 532211297 /nfs/dbraw/zinc/21/12/97/532211297.db2.gz IUHDVTSVJVVOQE-RDJZCZTQSA-N 1 2 380.330 2.134 20 0 GEADLO CS(=O)(=O)CC1(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000178448742 532202006 /nfs/dbraw/zinc/20/20/06/532202006.db2.gz MOVCNALQLWXJEJ-AWEZNQCLSA-N 1 2 385.555 2.009 20 0 GEADLO CC(C)[NH+]1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC1 ZINC000179395534 532229797 /nfs/dbraw/zinc/22/97/97/532229797.db2.gz KCYULAKEVXKPEU-UHFFFAOYSA-N 1 2 389.315 2.019 20 0 GEADLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2C)CC1 ZINC000133325926 532231646 /nfs/dbraw/zinc/23/16/46/532231646.db2.gz CYXKOZNNRYKIGD-UHFFFAOYSA-N 1 2 391.331 2.100 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000179539902 532234339 /nfs/dbraw/zinc/23/43/39/532234339.db2.gz IAEVPEPKCWKZRE-UHFFFAOYSA-N 1 2 375.281 2.223 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179539902 532234343 /nfs/dbraw/zinc/23/43/43/532234343.db2.gz IAEVPEPKCWKZRE-UHFFFAOYSA-N 1 2 375.281 2.223 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000179124788 532222276 /nfs/dbraw/zinc/22/22/76/532222276.db2.gz GIWFTFKSGZIIGI-HNNXBMFYSA-N 1 2 378.897 2.255 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1Br ZINC000134321086 532254170 /nfs/dbraw/zinc/25/41/70/532254170.db2.gz JZDHUAJXWADCFP-CYBMUJFWSA-N 1 2 391.331 2.360 20 0 GEADLO CCCNC(=O)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000133725287 532241123 /nfs/dbraw/zinc/24/11/23/532241123.db2.gz DYGKVFFZBHTXHR-MRXNPFEDSA-N 1 2 382.302 2.228 20 0 GEADLO C[N@H+](CC(=O)N1CCOCC1)CC1=Cc2cc(Br)ccc2OC1 ZINC000179676955 532241285 /nfs/dbraw/zinc/24/12/85/532241285.db2.gz NGWYEMONNFSXCE-UHFFFAOYSA-N 1 2 381.270 2.016 20 0 GEADLO C[N@@H+](CC(=O)N1CCOCC1)CC1=Cc2cc(Br)ccc2OC1 ZINC000179676955 532241287 /nfs/dbraw/zinc/24/12/87/532241287.db2.gz NGWYEMONNFSXCE-UHFFFAOYSA-N 1 2 381.270 2.016 20 0 GEADLO Cc1cc(Br)ccc1CN1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000179731848 532241854 /nfs/dbraw/zinc/24/18/54/532241854.db2.gz WMOQPSPUISYSHW-INIZCTEOSA-N 1 2 387.343 2.062 20 0 GEADLO CCNC(=O)N1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179772823 532244025 /nfs/dbraw/zinc/24/40/25/532244025.db2.gz JLXKXXXCXNOJLX-UHFFFAOYSA-N 1 2 392.301 2.482 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1Br ZINC000134321086 532254166 /nfs/dbraw/zinc/25/41/66/532254166.db2.gz JZDHUAJXWADCFP-CYBMUJFWSA-N 1 2 391.331 2.360 20 0 GEADLO O=S(=O)(NCCCn1cc[nH+]c1)c1cc(F)c(Br)cc1F ZINC000179585635 532237151 /nfs/dbraw/zinc/23/71/51/532237151.db2.gz QEWGUURRYYVYPP-UHFFFAOYSA-N 1 2 380.214 2.292 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000179633073 532239193 /nfs/dbraw/zinc/23/91/93/532239193.db2.gz XPKULGIITMKHSU-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)c1cc(Br)cc(Br)c1 ZINC000179627200 532239350 /nfs/dbraw/zinc/23/93/50/532239350.db2.gz JXMHSJBCDXQCLE-UHFFFAOYSA-N 1 2 392.091 2.274 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000134322561 532253818 /nfs/dbraw/zinc/25/38/18/532253818.db2.gz IWAQIUXIFROLAC-AWEZNQCLSA-N 1 2 384.889 2.292 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000134322561 532253822 /nfs/dbraw/zinc/25/38/22/532253822.db2.gz IWAQIUXIFROLAC-AWEZNQCLSA-N 1 2 384.889 2.292 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCCC2(C1)OCCO2)c1ccc(Br)cc1 ZINC000133622114 532239793 /nfs/dbraw/zinc/23/97/93/532239793.db2.gz BSBOMFCNCKQFJL-ZDUSSCGKSA-N 1 2 383.286 2.465 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCCC2(C1)OCCO2)c1ccc(Br)cc1 ZINC000133622114 532239796 /nfs/dbraw/zinc/23/97/96/532239796.db2.gz BSBOMFCNCKQFJL-ZDUSSCGKSA-N 1 2 383.286 2.465 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134355537 532255325 /nfs/dbraw/zinc/25/53/25/532255325.db2.gz OIVDTVAISZPNHW-KBPBESRZSA-N 1 2 387.933 2.378 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134355537 532255327 /nfs/dbraw/zinc/25/53/27/532255327.db2.gz OIVDTVAISZPNHW-KBPBESRZSA-N 1 2 387.933 2.378 20 0 GEADLO O=C(N[C@H]1CCCCNC1=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000134518395 532257206 /nfs/dbraw/zinc/25/72/06/532257206.db2.gz CIHWLTSVJANWDF-JKSUJKDBSA-N 1 2 394.313 2.371 20 0 GEADLO O=C(N[C@@H]1CCCCNC1=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000134518327 532257602 /nfs/dbraw/zinc/25/76/02/532257602.db2.gz CIHWLTSVJANWDF-CVEARBPZSA-N 1 2 394.313 2.371 20 0 GEADLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000134537332 532258559 /nfs/dbraw/zinc/25/85/59/532258559.db2.gz OIDSYSAOUVNJPY-UHFFFAOYSA-N 1 2 376.251 2.496 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCCC[C@H](SC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000134588388 532258647 /nfs/dbraw/zinc/25/86/47/532258647.db2.gz MFCDLYPJACWDJR-XHSDSOJGSA-N 1 2 376.588 2.018 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCCC[C@H](SC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000134588388 532258652 /nfs/dbraw/zinc/25/86/52/532258652.db2.gz MFCDLYPJACWDJR-XHSDSOJGSA-N 1 2 376.588 2.018 20 0 GEADLO COc1cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)sc1Br ZINC000134813544 532263684 /nfs/dbraw/zinc/26/36/84/532263684.db2.gz NZSYRIXJRWVFPW-SNVBAGLBSA-N 1 2 375.288 2.112 20 0 GEADLO COc1cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)sc1Br ZINC000134813544 532263686 /nfs/dbraw/zinc/26/36/86/532263686.db2.gz NZSYRIXJRWVFPW-SNVBAGLBSA-N 1 2 375.288 2.112 20 0 GEADLO O=C1NC[C@H]2C[N@H+](Cc3ccc(-c4ccc(Cl)cc4)s3)CCN2C1=O ZINC000180485576 532272368 /nfs/dbraw/zinc/27/23/68/532272368.db2.gz DAGKTZCOOIOUQX-AWEZNQCLSA-N 1 2 375.881 2.211 20 0 GEADLO O=C1NC[C@H]2C[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)s3)CCN2C1=O ZINC000180485576 532272370 /nfs/dbraw/zinc/27/23/70/532272370.db2.gz DAGKTZCOOIOUQX-AWEZNQCLSA-N 1 2 375.881 2.211 20 0 GEADLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135742717 532278543 /nfs/dbraw/zinc/27/85/43/532278543.db2.gz OIIVPPKGCOLIHJ-OLZOCXBDSA-N 1 2 382.511 2.359 20 0 GEADLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135742717 532278548 /nfs/dbraw/zinc/27/85/48/532278548.db2.gz OIIVPPKGCOLIHJ-OLZOCXBDSA-N 1 2 382.511 2.359 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cccnc1C(F)(F)F ZINC000136600979 532285473 /nfs/dbraw/zinc/28/54/73/532285473.db2.gz CATZFPQUQSQPFY-HNNXBMFYSA-N 1 2 375.416 2.038 20 0 GEADLO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000136820544 532287557 /nfs/dbraw/zinc/28/75/57/532287557.db2.gz DBFLRJGXUFAIEL-HNNXBMFYSA-N 1 2 393.285 2.443 20 0 GEADLO Cc1c([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)nnn1-c1ccc(Cl)cc1 ZINC000180466267 532272623 /nfs/dbraw/zinc/27/26/23/532272623.db2.gz IKTPRFGGNTXQIV-GFCCVEGCSA-N 1 2 385.921 2.208 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1)Nc1ccc(Br)cc1F ZINC000138984206 532291895 /nfs/dbraw/zinc/29/18/95/532291895.db2.gz BBGCSZTUYCRXQR-GFCCVEGCSA-N 1 2 399.264 2.016 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](N2CCNC2=O)C1)Nc1ccc(Br)cc1F ZINC000138984206 532291898 /nfs/dbraw/zinc/29/18/98/532291898.db2.gz BBGCSZTUYCRXQR-GFCCVEGCSA-N 1 2 399.264 2.016 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ncc(Br)s3)C2=O)n(C)n1 ZINC000181190364 532293114 /nfs/dbraw/zinc/29/31/14/532293114.db2.gz POGPSXMDQAXRKN-NXEZZACHSA-N 1 2 384.303 2.404 20 0 GEADLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000141046518 532294450 /nfs/dbraw/zinc/29/44/50/532294450.db2.gz XCSYNYJBGDBKMK-DGCLKSJQSA-N 1 2 376.341 2.423 20 0 GEADLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)Nc1ccc(Br)cn1 ZINC000140890947 532294742 /nfs/dbraw/zinc/29/47/42/532294742.db2.gz JFXDMLQDUHJOSK-CYBMUJFWSA-N 1 2 396.207 2.418 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000141780502 532295501 /nfs/dbraw/zinc/29/55/01/532295501.db2.gz FFAZXKPTIIVISU-GFCCVEGCSA-N 1 2 376.463 2.239 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000181517516 532300032 /nfs/dbraw/zinc/30/00/32/532300032.db2.gz YVRPWBHJZFNLDG-NSHDSACASA-N 1 2 395.308 2.251 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000181517516 532300034 /nfs/dbraw/zinc/30/00/34/532300034.db2.gz YVRPWBHJZFNLDG-NSHDSACASA-N 1 2 395.308 2.251 20 0 GEADLO C[N@H+](Cc1ccc(C(N)=O)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181073028 532290299 /nfs/dbraw/zinc/29/02/99/532290299.db2.gz KSXPTQBRQVOCKZ-HNNXBMFYSA-N 1 2 376.254 2.206 20 0 GEADLO C[N@@H+](Cc1ccc(C(N)=O)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181073028 532290300 /nfs/dbraw/zinc/29/03/00/532290300.db2.gz KSXPTQBRQVOCKZ-HNNXBMFYSA-N 1 2 376.254 2.206 20 0 GEADLO CC[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000137730077 532291086 /nfs/dbraw/zinc/29/10/86/532291086.db2.gz GKJXZWXAENRHHM-GARJFASQSA-N 1 2 378.420 2.337 20 0 GEADLO CC[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000137730077 532291088 /nfs/dbraw/zinc/29/10/88/532291088.db2.gz GKJXZWXAENRHHM-GARJFASQSA-N 1 2 378.420 2.337 20 0 GEADLO O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CC[NH+](CCCO)CC1 ZINC000182446556 532313263 /nfs/dbraw/zinc/31/32/63/532313263.db2.gz RVVPIBDABZYJJA-UHFFFAOYSA-N 1 2 387.716 2.336 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CC[NH+](CCCO)CC1 ZINC000182441722 532313409 /nfs/dbraw/zinc/31/34/09/532313409.db2.gz WRPUPFKWGMYTDD-UHFFFAOYSA-N 1 2 386.823 2.048 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182590517 532315175 /nfs/dbraw/zinc/31/51/75/532315175.db2.gz CTNAYHRTPMWJGZ-HNNXBMFYSA-N 1 2 380.432 2.408 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182590517 532315177 /nfs/dbraw/zinc/31/51/77/532315177.db2.gz CTNAYHRTPMWJGZ-HNNXBMFYSA-N 1 2 380.432 2.408 20 0 GEADLO C[C@H](C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[NH+]1CCSCC1 ZINC000183031571 532321318 /nfs/dbraw/zinc/32/13/18/532321318.db2.gz MOVOWJMYBAKWAP-IAQYHMDHSA-N 1 2 385.892 2.138 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)n1 ZINC000185475581 532337947 /nfs/dbraw/zinc/33/79/47/532337947.db2.gz CDPFDLMLRIKXII-QLFBSQMISA-N 1 2 387.933 2.306 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)n1 ZINC000185475581 532337948 /nfs/dbraw/zinc/33/79/48/532337948.db2.gz CDPFDLMLRIKXII-QLFBSQMISA-N 1 2 387.933 2.306 20 0 GEADLO Cn1c(=O)cc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)n(C)c1=O ZINC000185638909 532338211 /nfs/dbraw/zinc/33/82/11/532338211.db2.gz PRLKWGYIOZVVKI-OAHLLOKOSA-N 1 2 396.260 2.323 20 0 GEADLO Cn1c(=O)cc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)n(C)c1=O ZINC000185638909 532338212 /nfs/dbraw/zinc/33/82/12/532338212.db2.gz PRLKWGYIOZVVKI-OAHLLOKOSA-N 1 2 396.260 2.323 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1Cc2cccc(Br)c2C1 ZINC000185827253 532338937 /nfs/dbraw/zinc/33/89/37/532338937.db2.gz FEIIRCDDODZVCL-CYBMUJFWSA-N 1 2 381.318 2.110 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O)c1ccc(Br)cc1 ZINC000185907356 532339015 /nfs/dbraw/zinc/33/90/15/532339015.db2.gz WLZHBBZVEKMIMY-SJCJKPOMSA-N 1 2 382.302 2.356 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O)c1ccc(Br)cc1 ZINC000185907356 532339016 /nfs/dbraw/zinc/33/90/16/532339016.db2.gz WLZHBBZVEKMIMY-SJCJKPOMSA-N 1 2 382.302 2.356 20 0 GEADLO CC[C@@H]([NH2+]CC(=O)NC(=O)N[C@H](C)COC)c1nc(C(F)(F)F)cs1 ZINC000185927265 532339143 /nfs/dbraw/zinc/33/91/43/532339143.db2.gz KBLOOHAYEOMNMN-RKDXNWHRSA-N 1 2 382.408 2.063 20 0 GEADLO NC(=O)C1CC[NH+](Cc2cc(Br)cc(Br)c2N)CC1 ZINC000186249767 532340284 /nfs/dbraw/zinc/34/02/84/532340284.db2.gz YDKDMVNWYBBLEZ-UHFFFAOYSA-N 1 2 391.107 2.491 20 0 GEADLO COc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)sc1Br ZINC000186954150 532342751 /nfs/dbraw/zinc/34/27/51/532342751.db2.gz HGYGZJSXMSTBFW-VHSXEESVSA-N 1 2 377.304 2.046 20 0 GEADLO COc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)sc1Br ZINC000186954150 532342752 /nfs/dbraw/zinc/34/27/52/532342752.db2.gz HGYGZJSXMSTBFW-VHSXEESVSA-N 1 2 377.304 2.046 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NOCc1ccc(F)cc1Br ZINC000187134329 532343319 /nfs/dbraw/zinc/34/33/19/532343319.db2.gz ZTAKRLCPDYJTKV-NSHDSACASA-N 1 2 390.253 2.040 20 0 GEADLO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)s1 ZINC000183607824 532326535 /nfs/dbraw/zinc/32/65/35/532326535.db2.gz JHRALQRLYOAFFP-LLVKDONJSA-N 1 2 383.461 2.470 20 0 GEADLO Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)s1 ZINC000183607824 532326537 /nfs/dbraw/zinc/32/65/37/532326537.db2.gz JHRALQRLYOAFFP-LLVKDONJSA-N 1 2 383.461 2.470 20 0 GEADLO C[C@@H](CNC(=O)c1cc2c(cc1Br)NC(=O)CO2)Cn1cc[nH+]c1 ZINC000183653142 532327168 /nfs/dbraw/zinc/32/71/68/532327168.db2.gz YEAYSPXCAOIWLW-JTQLQIEISA-N 1 2 393.241 2.043 20 0 GEADLO CCCN(C(=O)[C@H](C)[NH2+]C(C)(C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000183955255 532330293 /nfs/dbraw/zinc/33/02/93/532330293.db2.gz FIOVZOIOWSQJSC-UONOGXRCSA-N 1 2 387.571 2.090 20 0 GEADLO Cc1nc(N2CCN(C(=O)Nc3cccnc3Br)CC2)cc[nH+]1 ZINC000184097514 532330806 /nfs/dbraw/zinc/33/08/06/532330806.db2.gz IDPMHQGTJQZXJS-UHFFFAOYSA-N 1 2 377.246 2.297 20 0 GEADLO CCCCN(C(=O)C[NH2+][C@H](CC)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000184414167 532332539 /nfs/dbraw/zinc/33/25/39/532332539.db2.gz WNSXTMAZUQBLLL-LSDHHAIUSA-N 1 2 387.571 2.308 20 0 GEADLO CCN(C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000184496212 532333222 /nfs/dbraw/zinc/33/32/22/532333222.db2.gz UTHUTVYXTJJXAG-QWHCGFSZSA-N 1 2 387.571 2.127 20 0 GEADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CC(F)(F)CO ZINC000184694012 532334699 /nfs/dbraw/zinc/33/46/99/532334699.db2.gz HMXKQQOQYPGTLC-VIFPVBQESA-N 1 2 378.441 2.476 20 0 GEADLO C[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C[C@H](CO)O1 ZINC000187998987 532346268 /nfs/dbraw/zinc/34/62/68/532346268.db2.gz GWDHJUXNJVBHKH-KBRIMQKVSA-N 1 2 397.313 2.194 20 0 GEADLO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](CC)CC(N)=O ZINC000188072575 532346561 /nfs/dbraw/zinc/34/65/61/532346561.db2.gz MMRBWUYKSMOFNJ-UHFFFAOYSA-N 1 2 387.274 2.007 20 0 GEADLO CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+](CC)CC(N)=O ZINC000188072575 532346562 /nfs/dbraw/zinc/34/65/62/532346562.db2.gz MMRBWUYKSMOFNJ-UHFFFAOYSA-N 1 2 387.274 2.007 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CCNC(=O)Cc1c[nH+]cn1C ZINC000188334396 532347811 /nfs/dbraw/zinc/34/78/11/532347811.db2.gz ZYMPIPYJPSHNHY-UHFFFAOYSA-N 1 2 379.258 2.179 20 0 GEADLO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c(C)cc1Br ZINC000189085658 532350826 /nfs/dbraw/zinc/35/08/26/532350826.db2.gz GMNFYZHANGSIGT-UHFFFAOYSA-N 1 2 391.331 2.067 20 0 GEADLO Cc1cc(S(=O)(=O)NCC[N@H+]2CCCOCC2)c(C)cc1Br ZINC000189085658 532350827 /nfs/dbraw/zinc/35/08/27/532350827.db2.gz GMNFYZHANGSIGT-UHFFFAOYSA-N 1 2 391.331 2.067 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000189095492 532350926 /nfs/dbraw/zinc/35/09/26/532350926.db2.gz GQQFALIGCNBOSK-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000189095492 532350927 /nfs/dbraw/zinc/35/09/27/532350927.db2.gz GQQFALIGCNBOSK-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000189571624 532352730 /nfs/dbraw/zinc/35/27/30/532352730.db2.gz FLEOJWUIIAHSLG-HIFRSBDPSA-N 1 2 375.252 2.320 20 0 GEADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000189571624 532352731 /nfs/dbraw/zinc/35/27/31/532352731.db2.gz FLEOJWUIIAHSLG-HIFRSBDPSA-N 1 2 375.252 2.320 20 0 GEADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000189571642 532352807 /nfs/dbraw/zinc/35/28/07/532352807.db2.gz FLEOJWUIIAHSLG-UKRRQHHQSA-N 1 2 375.252 2.320 20 0 GEADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000189571642 532352808 /nfs/dbraw/zinc/35/28/08/532352808.db2.gz FLEOJWUIIAHSLG-UKRRQHHQSA-N 1 2 375.252 2.320 20 0 GEADLO C[C@H](NC(=O)C[NH+]1CCC(c2ccccc2Br)CC1)C(=O)N(C)C ZINC000189807113 532353652 /nfs/dbraw/zinc/35/36/52/532353652.db2.gz WTROCJOBAWXORS-ZDUSSCGKSA-N 1 2 396.329 2.221 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCO1 ZINC000190437522 532356013 /nfs/dbraw/zinc/35/60/13/532356013.db2.gz ZETZFRTWAHCYDM-UHFFFAOYSA-N 1 2 392.258 2.298 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCO1 ZINC000190437522 532356014 /nfs/dbraw/zinc/35/60/14/532356014.db2.gz ZETZFRTWAHCYDM-UHFFFAOYSA-N 1 2 392.258 2.298 20 0 GEADLO O=S(=O)(NCCn1cc[nH+]c1)c1cc(Cl)c(Br)cc1F ZINC000190636202 532357172 /nfs/dbraw/zinc/35/71/72/532357172.db2.gz XZALFEYWGHTUTP-UHFFFAOYSA-N 1 2 382.642 2.417 20 0 GEADLO O=C(C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1)N1CCCCC1 ZINC000191310283 532360288 /nfs/dbraw/zinc/36/02/88/532360288.db2.gz OUHRUBYHVHSGSW-UHFFFAOYSA-N 1 2 377.436 2.082 20 0 GEADLO O=C(C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1)N1CCCCC1 ZINC000191310283 532360289 /nfs/dbraw/zinc/36/02/89/532360289.db2.gz OUHRUBYHVHSGSW-UHFFFAOYSA-N 1 2 377.436 2.082 20 0 GEADLO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ncc(Br)cc1F ZINC000187346326 532344007 /nfs/dbraw/zinc/34/40/07/532344007.db2.gz VCZRVQQGAZOCNT-NOZJJQNGSA-N 1 2 382.237 2.173 20 0 GEADLO O=C(NCCc1nc(C(F)(F)F)cs1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000187369197 532344142 /nfs/dbraw/zinc/34/41/42/532344142.db2.gz AFZIDMGJZBWFNK-GFCCVEGCSA-N 1 2 377.432 2.322 20 0 GEADLO O=C(NCCc1nc(C(F)(F)F)cs1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000187369197 532344143 /nfs/dbraw/zinc/34/41/43/532344143.db2.gz AFZIDMGJZBWFNK-GFCCVEGCSA-N 1 2 377.432 2.322 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ncc(Br)cc3F)C2=O)n(C)n1 ZINC000187356930 532344210 /nfs/dbraw/zinc/34/42/10/532344210.db2.gz HQMVVPGTNWKRTN-GXFFZTMASA-N 1 2 396.264 2.481 20 0 GEADLO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](O)CSC)CC2)cc1 ZINC000187741281 532345353 /nfs/dbraw/zinc/34/53/53/532345353.db2.gz ILFHTPYPLJITKX-NVXWUHKLSA-N 1 2 386.583 2.230 20 0 GEADLO OCC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C(F)F ZINC000647536385 532375229 /nfs/dbraw/zinc/37/52/29/532375229.db2.gz JKSVZCNSYQMVNC-GXSJLCMTSA-N 1 2 388.636 2.448 20 0 GEADLO COCCn1cc(C[N@H+](C)[C@H](CO)c2cc(OC)ccc2Br)cn1 ZINC000294687770 532376021 /nfs/dbraw/zinc/37/60/21/532376021.db2.gz AIQZRLGTPKMTCC-QGZVFWFLSA-N 1 2 398.301 2.466 20 0 GEADLO COCCn1cc(C[N@@H+](C)[C@H](CO)c2cc(OC)ccc2Br)cn1 ZINC000294687770 532376023 /nfs/dbraw/zinc/37/60/23/532376023.db2.gz AIQZRLGTPKMTCC-QGZVFWFLSA-N 1 2 398.301 2.466 20 0 GEADLO NC(=O)c1cc(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)n[nH]1 ZINC000677491617 532376050 /nfs/dbraw/zinc/37/60/50/532376050.db2.gz ROIDHHBJKBGKHH-AWEZNQCLSA-N 1 2 392.257 2.047 20 0 GEADLO O=C(CSCC(=O)N1CC(C[NH+]2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000590558837 532376554 /nfs/dbraw/zinc/37/65/54/532376554.db2.gz WYDDZCVBSLUIPO-UHFFFAOYSA-N 1 2 382.913 2.047 20 0 GEADLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cc(Br)cc3c1OCC3)CC2 ZINC000371949579 532363142 /nfs/dbraw/zinc/36/31/42/532363142.db2.gz SOOHLQUAYKHMNJ-UHFFFAOYSA-N 1 2 398.282 2.093 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000557423793 532363794 /nfs/dbraw/zinc/36/37/94/532363794.db2.gz AJCJVMKPUZTZTJ-LBPRGKRZSA-N 1 2 391.269 2.271 20 0 GEADLO COC[C@@]1(CNC(=O)c2cc(Cl)cc(Br)c2O)CCC[NH2+]1 ZINC000647042005 532365122 /nfs/dbraw/zinc/36/51/22/532365122.db2.gz DHNDZDBITORTLQ-AWEZNQCLSA-N 1 2 377.666 2.307 20 0 GEADLO O=C(C[S@@](=O)Cc1[nH+]ccn1CC(F)(F)F)NCc1ccc(F)cc1 ZINC000462997833 532365293 /nfs/dbraw/zinc/36/52/93/532365293.db2.gz UTQSCEPYAQEBSF-VWLOTQADSA-N 1 2 377.363 2.150 20 0 GEADLO CCOC1CC(CNC(=O)c2ccoc2Br)([NH+]2CCOCC2)C1 ZINC000278012490 532369419 /nfs/dbraw/zinc/36/94/19/532369419.db2.gz IOERPBGTAKZEOF-UHFFFAOYSA-N 1 2 387.274 2.042 20 0 GEADLO Cc1ccc(Br)nc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000191828183 532369668 /nfs/dbraw/zinc/36/96/68/532369668.db2.gz QSMHVIXYOHTJEG-UHFFFAOYSA-N 1 2 391.269 2.314 20 0 GEADLO Brc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(N2CCOCC2)c1 ZINC000191872723 532371677 /nfs/dbraw/zinc/37/16/77/532371677.db2.gz PRJNSBLIKRJYIQ-SFHVURJKSA-N 1 2 397.313 2.277 20 0 GEADLO Brc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c(N2CCOCC2)c1 ZINC000191872723 532371684 /nfs/dbraw/zinc/37/16/84/532371684.db2.gz PRJNSBLIKRJYIQ-SFHVURJKSA-N 1 2 397.313 2.277 20 0 GEADLO COCC[C@H]1COCCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000464242535 532395279 /nfs/dbraw/zinc/39/52/79/532395279.db2.gz LJVQNUHUOCZHGQ-AWEZNQCLSA-N 1 2 397.273 2.044 20 0 GEADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N(CCO)Cc1cccc(Br)c1 ZINC000558647717 532395417 /nfs/dbraw/zinc/39/54/17/532395417.db2.gz AAEWAZZSKZVHHM-AWEZNQCLSA-N 1 2 393.285 2.234 20 0 GEADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N(CCO)Cc1cccc(Br)c1 ZINC000558647717 532395421 /nfs/dbraw/zinc/39/54/21/532395421.db2.gz AAEWAZZSKZVHHM-AWEZNQCLSA-N 1 2 393.285 2.234 20 0 GEADLO Cn1ncc(Br)c1CNC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000278404421 532378791 /nfs/dbraw/zinc/37/87/91/532378791.db2.gz OGRAEXPAPLEWTB-HNNXBMFYSA-N 1 2 379.302 2.173 20 0 GEADLO Cn1ncc(Br)c1CNC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000278404421 532378797 /nfs/dbraw/zinc/37/87/97/532378797.db2.gz OGRAEXPAPLEWTB-HNNXBMFYSA-N 1 2 379.302 2.173 20 0 GEADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C(=O)Nc2cnns2)CC1 ZINC000192033350 532379269 /nfs/dbraw/zinc/37/92/69/532379269.db2.gz VLVCJUCUVXTNSC-LLVKDONJSA-N 1 2 379.873 2.035 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCSCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000558018580 532380058 /nfs/dbraw/zinc/38/00/58/532380058.db2.gz AWZLWNIAIGOMSB-CVEARBPZSA-N 1 2 381.929 2.167 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCSCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000558018580 532380062 /nfs/dbraw/zinc/38/00/62/532380062.db2.gz AWZLWNIAIGOMSB-CVEARBPZSA-N 1 2 381.929 2.167 20 0 GEADLO O=S1(=O)CC[C@@H](CC[NH+]2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC000677677292 532381169 /nfs/dbraw/zinc/38/11/69/532381169.db2.gz VDXLOHXZCXBSEP-MRXNPFEDSA-N 1 2 386.945 2.161 20 0 GEADLO CC[S@@](=O)CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000425289350 532381662 /nfs/dbraw/zinc/38/16/62/532381662.db2.gz CZOXOAHUSUZSHZ-HSZRJFAPSA-N 1 2 398.326 2.443 20 0 GEADLO CC(=O)N1CCC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192060010 532382644 /nfs/dbraw/zinc/38/26/44/532382644.db2.gz OKPOOSQLSLTOEU-INIZCTEOSA-N 1 2 380.286 2.109 20 0 GEADLO CC(=O)N1CCC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192060010 532382646 /nfs/dbraw/zinc/38/26/46/532382646.db2.gz OKPOOSQLSLTOEU-INIZCTEOSA-N 1 2 380.286 2.109 20 0 GEADLO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000425391893 532384263 /nfs/dbraw/zinc/38/42/63/532384263.db2.gz FINFXAVJTBJJER-CQSZACIVSA-N 1 2 387.571 2.127 20 0 GEADLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000425391893 532384274 /nfs/dbraw/zinc/38/42/74/532384274.db2.gz FINFXAVJTBJJER-CQSZACIVSA-N 1 2 387.571 2.127 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)c2cccc(Cl)c2O1 ZINC000463860521 532384775 /nfs/dbraw/zinc/38/47/75/532384775.db2.gz QISDHCJFIJFUOI-AWEZNQCLSA-N 1 2 388.917 2.370 20 0 GEADLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000425391892 532385132 /nfs/dbraw/zinc/38/51/32/532385132.db2.gz FINFXAVJTBJJER-AWEZNQCLSA-N 1 2 387.571 2.127 20 0 GEADLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000425391892 532385138 /nfs/dbraw/zinc/38/51/38/532385138.db2.gz FINFXAVJTBJJER-AWEZNQCLSA-N 1 2 387.571 2.127 20 0 GEADLO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCc2[nH+]ccn2C1 ZINC000372323784 532386179 /nfs/dbraw/zinc/38/61/79/532386179.db2.gz DXHXGSLFKLWMQM-NWDGAFQWSA-N 1 2 384.263 2.308 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)s1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590816062 532386945 /nfs/dbraw/zinc/38/69/45/532386945.db2.gz GBAZCDXVZZLRJS-LLVKDONJSA-N 1 2 397.298 2.301 20 0 GEADLO CCOC(=O)C1([S@](C)=O)CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000294846648 532388050 /nfs/dbraw/zinc/38/80/50/532388050.db2.gz RSGCECRZORIHGE-VWLOTQADSA-N 1 2 383.901 2.264 20 0 GEADLO CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)cc1OC ZINC000372405374 532390035 /nfs/dbraw/zinc/39/00/35/532390035.db2.gz UZBAHSONTWKQIA-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)cc1OC ZINC000372405374 532390038 /nfs/dbraw/zinc/39/00/38/532390038.db2.gz UZBAHSONTWKQIA-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO CCC(CC)(CO)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000516936912 532397643 /nfs/dbraw/zinc/39/76/43/532397643.db2.gz RGLMXVZIRFHFLA-UHFFFAOYSA-N 1 2 386.290 2.418 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1Cl ZINC000464400010 532398010 /nfs/dbraw/zinc/39/80/10/532398010.db2.gz FOKXPOKLACABCP-UHFFFAOYSA-N 1 2 386.930 2.292 20 0 GEADLO Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000516921565 532397225 /nfs/dbraw/zinc/39/72/25/532397225.db2.gz VFGPAJTZUXRYLY-HNNXBMFYSA-N 1 2 376.507 2.279 20 0 GEADLO O=C1CSc2ncnc(NC[C@H](c3cccs3)[NH+]3CCOCC3)c2N1 ZINC000372672652 532400005 /nfs/dbraw/zinc/40/00/05/532400005.db2.gz GYDZITHURLJHJA-LLVKDONJSA-N 1 2 377.495 2.068 20 0 GEADLO C[C@H](COC1CCCC1)CS(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000559068478 532400133 /nfs/dbraw/zinc/40/01/33/532400133.db2.gz AVYHZNDJZOKKFY-GFCCVEGCSA-N 1 2 383.436 2.460 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C)S(=O)(=O)CC1)c1ccsc1 ZINC000192304256 532400937 /nfs/dbraw/zinc/40/09/37/532400937.db2.gz SPNXBFAFKGHZLQ-GDBMZVCRSA-N 1 2 387.571 2.350 20 0 GEADLO Cn1cc(-c2nc(C[NH2+][C@H](CS(C)(=O)=O)c3ccccc3)cs2)cn1 ZINC000678797344 532400971 /nfs/dbraw/zinc/40/09/71/532400971.db2.gz QZCGADPYKSIGKN-MRXNPFEDSA-N 1 2 376.507 2.419 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000559750948 532404822 /nfs/dbraw/zinc/40/48/22/532404822.db2.gz ANSKTDANAIXCTN-HNNXBMFYSA-N 1 2 378.479 2.028 20 0 GEADLO Cn1cc(Br)c(C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)n1 ZINC000517231003 532409430 /nfs/dbraw/zinc/40/94/30/532409430.db2.gz MQOZESUIQSYEEE-NSHDSACASA-N 1 2 379.258 2.193 20 0 GEADLO O=C(Nc1ccc(Br)cc1Cl)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427038500 532410288 /nfs/dbraw/zinc/41/02/88/532410288.db2.gz NNPQPFMJNKWULA-JTQLQIEISA-N 1 2 397.660 2.369 20 0 GEADLO C[C@@H](NC(=O)COc1ccc(Br)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000591340325 532408824 /nfs/dbraw/zinc/40/88/24/532408824.db2.gz WDUQSQKYLUQEJO-NEPJUHHUSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H]1C[C@H]1CNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000591433173 532411795 /nfs/dbraw/zinc/41/17/95/532411795.db2.gz MOEKFOFKKHHRLJ-HIFRSBDPSA-N 1 2 398.320 2.478 20 0 GEADLO CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000591399553 532411826 /nfs/dbraw/zinc/41/18/26/532411826.db2.gz PCVYBXPPLHLRPS-ROUUACIJSA-N 1 2 377.595 2.324 20 0 GEADLO CN(C)c1cc[nH+]c(NC(=O)c2cc(Cn3cc(Br)cn3)on2)c1 ZINC000680254947 532412062 /nfs/dbraw/zinc/41/20/62/532412062.db2.gz HGOHBEPJJXAJJS-UHFFFAOYSA-N 1 2 391.229 2.395 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000372835701 532412870 /nfs/dbraw/zinc/41/28/70/532412870.db2.gz DJGGUSPHGUYIRB-SECBINFHSA-N 1 2 380.297 2.073 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccc3nc(Cl)cnc3c1)C2 ZINC000372838014 532413026 /nfs/dbraw/zinc/41/30/26/532413026.db2.gz KLYIYVHYDVRGLX-NSHDSACASA-N 1 2 377.857 2.081 20 0 GEADLO CN(C)c1cc[nH+]c(NC(=O)CS(=O)(=O)c2cccc(Br)c2)c1 ZINC000680256115 532411101 /nfs/dbraw/zinc/41/11/01/532411101.db2.gz WDNLMXBORGPQDS-UHFFFAOYSA-N 1 2 398.282 2.323 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000591588729 532414070 /nfs/dbraw/zinc/41/40/70/532414070.db2.gz MOVZGGFFBWOKOX-HZPDHXFCSA-N 1 2 382.302 2.279 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1cc(Br)ccc1F ZINC000591599976 532414225 /nfs/dbraw/zinc/41/42/25/532414225.db2.gz DFXBKLLMKWQVDN-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1cc(Br)ccc1F ZINC000591599976 532414236 /nfs/dbraw/zinc/41/42/36/532414236.db2.gz DFXBKLLMKWQVDN-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@@H](NC(=O)c1c[nH]c2ncc(Br)cc12)[C@H](C)[NH+]1CCOCC1 ZINC000280920848 532416726 /nfs/dbraw/zinc/41/67/26/532416726.db2.gz ODNSVPPUDOWUAV-MNOVXSKESA-N 1 2 381.274 2.164 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1cc(Br)cs1 ZINC000591601019 532415118 /nfs/dbraw/zinc/41/51/18/532415118.db2.gz QKBZGLAQCMMCAT-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1cc(Br)cs1 ZINC000591601019 532415123 /nfs/dbraw/zinc/41/51/23/532415123.db2.gz QKBZGLAQCMMCAT-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C[C@@H]1C ZINC000680507454 532415940 /nfs/dbraw/zinc/41/59/40/532415940.db2.gz GRAGLOYTOGOFLQ-NSHDSACASA-N 1 2 389.315 2.099 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C[C@@H]1C ZINC000680507454 532415947 /nfs/dbraw/zinc/41/59/47/532415947.db2.gz GRAGLOYTOGOFLQ-NSHDSACASA-N 1 2 389.315 2.099 20 0 GEADLO C[C@@H](Cc1ccsc1)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000517484321 532418700 /nfs/dbraw/zinc/41/87/00/532418700.db2.gz SHRXGBQNWYRTHW-AWEZNQCLSA-N 1 2 380.539 2.122 20 0 GEADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(CCO)Cc1cc(Br)cs1 ZINC000649217408 532417577 /nfs/dbraw/zinc/41/75/77/532417577.db2.gz LCYYVTKJYRLVAU-LLVKDONJSA-N 1 2 384.299 2.291 20 0 GEADLO CCCn1cc(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)nn1 ZINC000680550935 532418289 /nfs/dbraw/zinc/41/82/89/532418289.db2.gz JPPGZBZFBWKVAT-UHFFFAOYSA-N 1 2 377.246 2.337 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000680977691 532421125 /nfs/dbraw/zinc/42/11/25/532421125.db2.gz WCROFDANFLGNMF-CABCVRRESA-N 1 2 390.958 2.282 20 0 GEADLO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000372931941 532420651 /nfs/dbraw/zinc/42/06/51/532420651.db2.gz AXHSKKLQRAQFIT-GJZGRUSLSA-N 1 2 392.297 2.175 20 0 GEADLO Cc1cc(NC(=O)C[N@H+](C)C[C@@H](O)c2ccccc2Br)n(C)n1 ZINC000295231328 532423240 /nfs/dbraw/zinc/42/32/40/532423240.db2.gz COEVWHJGFDKUBJ-CQSZACIVSA-N 1 2 381.274 2.095 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+](C)C[C@@H](O)c2ccccc2Br)n(C)n1 ZINC000295231328 532423244 /nfs/dbraw/zinc/42/32/44/532423244.db2.gz COEVWHJGFDKUBJ-CQSZACIVSA-N 1 2 381.274 2.095 20 0 GEADLO Cn1ncc2c1nc(N1CCOc3c(Br)cccc3C1)[nH+]c2N ZINC000373024785 532426888 /nfs/dbraw/zinc/42/68/88/532426888.db2.gz NGDOMXHRYFBFFI-UHFFFAOYSA-N 1 2 375.230 2.107 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@H](O)c3ccc(F)c(Br)c3)C2)o1 ZINC000295262103 532427980 /nfs/dbraw/zinc/42/79/80/532427980.db2.gz HBLPPCTZZZRIDQ-GWCFXTLKSA-N 1 2 386.221 2.178 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@H](O)c3ccc(F)c(Br)c3)C2)o1 ZINC000295262103 532427985 /nfs/dbraw/zinc/42/79/85/532427985.db2.gz HBLPPCTZZZRIDQ-GWCFXTLKSA-N 1 2 386.221 2.178 20 0 GEADLO CN(CCOc1ccc(Br)cc1)C(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625440101 532429099 /nfs/dbraw/zinc/42/90/99/532429099.db2.gz KVTJNSAKJFVKJO-UHFFFAOYSA-N 1 2 393.285 2.068 20 0 GEADLO COC(=O)[C@H](C)CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561045872 532427584 /nfs/dbraw/zinc/42/75/84/532427584.db2.gz YIZINJXHFOOMEC-GFCCVEGCSA-N 1 2 398.257 2.467 20 0 GEADLO CC(C)CCO[C@H]1CC[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000625453000 532429802 /nfs/dbraw/zinc/42/98/02/532429802.db2.gz CEUWLLFIUFKVCG-IYARVYRRSA-N 1 2 376.563 2.002 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(=O)n1C ZINC000373063915 532429871 /nfs/dbraw/zinc/42/98/71/532429871.db2.gz RFZZZFSGSNOBKO-LBPRGKRZSA-N 1 2 393.285 2.210 20 0 GEADLO COc1cccc2c(N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc[nH+]c12 ZINC000561356445 532435314 /nfs/dbraw/zinc/43/53/14/532435314.db2.gz OGKMVBOADBZGCI-CYBMUJFWSA-N 1 2 377.388 2.478 20 0 GEADLO CCSCC[C@H](C)N(C)C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000561336080 532435358 /nfs/dbraw/zinc/43/53/58/532435358.db2.gz VTXHOUKAYXXIDL-NSHDSACASA-N 1 2 380.436 2.052 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000626166046 532436079 /nfs/dbraw/zinc/43/60/79/532436079.db2.gz LRFCLFNPGNCVBM-JTQLQIEISA-N 1 2 397.285 2.489 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000626166046 532436087 /nfs/dbraw/zinc/43/60/87/532436087.db2.gz LRFCLFNPGNCVBM-JTQLQIEISA-N 1 2 397.285 2.489 20 0 GEADLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccccc1Cl ZINC000193868537 532432948 /nfs/dbraw/zinc/43/29/48/532432948.db2.gz FIZDZEOYEHMHEP-INIZCTEOSA-N 1 2 381.885 2.020 20 0 GEADLO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccccc1Cl ZINC000193868550 532433003 /nfs/dbraw/zinc/43/30/03/532433003.db2.gz FIZDZEOYEHMHEP-MRXNPFEDSA-N 1 2 381.885 2.020 20 0 GEADLO Cc1cc(C2([NH2+]Cc3ccc(S(=O)(=O)N(C)C)s3)CCOCC2)on1 ZINC000626127573 532433966 /nfs/dbraw/zinc/43/39/66/532433966.db2.gz QSAURHDPZTWHPW-UHFFFAOYSA-N 1 2 385.511 2.090 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000518091370 532434781 /nfs/dbraw/zinc/43/47/81/532434781.db2.gz LGCLPKAZPMMGCA-HUUCEWRRSA-N 1 2 388.555 2.021 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1I ZINC000428001248 532438828 /nfs/dbraw/zinc/43/88/28/532438828.db2.gz PFIXCNGXFIXKRT-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc(F)ccc1I ZINC000427990326 532439580 /nfs/dbraw/zinc/43/95/80/532439580.db2.gz CJKJQPIYNYDKDW-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO O=C(Cc1ccccc1I)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427994875 532439629 /nfs/dbraw/zinc/43/96/29/532439629.db2.gz UNVSVHGCBDZYFJ-LBPRGKRZSA-N 1 2 381.217 2.161 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN(C)Cc1[nH+]ccn1C ZINC000295383206 532439972 /nfs/dbraw/zinc/43/99/72/532439972.db2.gz KQSVTEBBTCLTCD-LBPRGKRZSA-N 1 2 395.301 2.328 20 0 GEADLO C[C@H]1CN(C(=O)CSCc2cc(-c3cccs3)on2)CC[N@@H+]1CCO ZINC000428155028 532445598 /nfs/dbraw/zinc/44/55/98/532445598.db2.gz LEYXQXDBTFOKKZ-ZDUSSCGKSA-N 1 2 381.523 2.161 20 0 GEADLO C[C@H]1CN(C(=O)CSCc2cc(-c3cccs3)on2)CC[N@H+]1CCO ZINC000428155028 532445606 /nfs/dbraw/zinc/44/56/06/532445606.db2.gz LEYXQXDBTFOKKZ-ZDUSSCGKSA-N 1 2 381.523 2.161 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC1 ZINC000682419565 532445360 /nfs/dbraw/zinc/44/53/60/532445360.db2.gz AOBFUVFLKYSCCR-JTQLQIEISA-N 1 2 386.283 2.205 20 0 GEADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)n1 ZINC000561788529 532452403 /nfs/dbraw/zinc/45/24/03/532452403.db2.gz ZKCAYLMKEBDJNS-CHWSQXEVSA-N 1 2 388.559 2.178 20 0 GEADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)n1 ZINC000561788529 532452409 /nfs/dbraw/zinc/45/24/09/532452409.db2.gz ZKCAYLMKEBDJNS-CHWSQXEVSA-N 1 2 388.559 2.178 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000282244759 532451542 /nfs/dbraw/zinc/45/15/42/532451542.db2.gz NYJJOYSHLYNISA-NSHDSACASA-N 1 2 381.274 2.118 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000295533782 532456718 /nfs/dbraw/zinc/45/67/18/532456718.db2.gz BXGMYYVFEALZHI-GFCCVEGCSA-N 1 2 391.269 2.335 20 0 GEADLO COc1cc(Br)ccc1CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000683386509 532457087 /nfs/dbraw/zinc/45/70/87/532457087.db2.gz RLARGZLJVBEHLI-UHFFFAOYSA-N 1 2 398.301 2.122 20 0 GEADLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2CCCNC(=O)C(F)(F)F)sc1C ZINC000373503050 532454467 /nfs/dbraw/zinc/45/44/67/532454467.db2.gz QIVNSXQQJTWIJQ-JTQLQIEISA-N 1 2 379.404 2.444 20 0 GEADLO COC(=O)c1nc([C@@H]2CCC[N@H+]2CCCNC(=O)C(F)(F)F)sc1C ZINC000373503050 532454471 /nfs/dbraw/zinc/45/44/71/532454471.db2.gz QIVNSXQQJTWIJQ-JTQLQIEISA-N 1 2 379.404 2.444 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000650786113 532454894 /nfs/dbraw/zinc/45/48/94/532454894.db2.gz ICFQOFDHFKAFCB-UHFFFAOYSA-N 1 2 390.311 2.484 20 0 GEADLO CC(C)[C@H]1C[C@H](Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)CS1 ZINC000683111268 532455392 /nfs/dbraw/zinc/45/53/92/532455392.db2.gz SGXYICZBSMBXLH-JKSUJKDBSA-N 1 2 384.571 2.105 20 0 GEADLO Cn1ccc(NC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000562140488 532457637 /nfs/dbraw/zinc/45/76/37/532457637.db2.gz UWVIIPIWSXBTIM-UHFFFAOYSA-N 1 2 393.245 2.706 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000282393127 532462106 /nfs/dbraw/zinc/46/21/06/532462106.db2.gz DRLAGHSNKSLOLD-RISCZKNCSA-N 1 2 383.242 2.166 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000282393127 532462109 /nfs/dbraw/zinc/46/21/09/532462109.db2.gz DRLAGHSNKSLOLD-RISCZKNCSA-N 1 2 383.242 2.166 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)COc1cccc(I)c1 ZINC000295540381 532457806 /nfs/dbraw/zinc/45/78/06/532457806.db2.gz COJQGPQXDKCIFM-UHFFFAOYSA-N 1 2 385.205 2.203 20 0 GEADLO CCOC(=O)[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccc(OC)c(Br)c1 ZINC000562280197 532460228 /nfs/dbraw/zinc/46/02/28/532460228.db2.gz BNCAXIOMVDPIRW-HNNXBMFYSA-N 1 2 396.241 2.075 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000592760215 532460616 /nfs/dbraw/zinc/46/06/16/532460616.db2.gz XDOSCCGWUPJWME-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000592760215 532460619 /nfs/dbraw/zinc/46/06/19/532460619.db2.gz XDOSCCGWUPJWME-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO CNS(=O)(=O)CCC[N@@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428925018 532465701 /nfs/dbraw/zinc/46/57/01/532465701.db2.gz RANBJEDTCSUWPR-DOMZBBRYSA-N 1 2 380.432 2.407 20 0 GEADLO CNS(=O)(=O)CCC[N@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428925018 532465710 /nfs/dbraw/zinc/46/57/10/532465710.db2.gz RANBJEDTCSUWPR-DOMZBBRYSA-N 1 2 380.432 2.407 20 0 GEADLO Cn1c[nH+]c(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1 ZINC000683897734 532466978 /nfs/dbraw/zinc/46/69/78/532466978.db2.gz BEVKXCRXJRCBKB-UHFFFAOYSA-N 1 2 389.308 2.233 20 0 GEADLO O=C(C[NH+]1CCC(c2ncccc2Cl)CC1)NC(=O)NCC(F)(F)F ZINC000373776440 532468402 /nfs/dbraw/zinc/46/84/02/532468402.db2.gz VAQIHKQWKRFNNB-UHFFFAOYSA-N 1 2 378.782 2.303 20 0 GEADLO COc1ccc(Br)c(C[N@H+](C)Cc2cc(=O)n3nccc3[nH]2)c1 ZINC000429318665 532473694 /nfs/dbraw/zinc/47/36/94/532473694.db2.gz RWFDQDFLROTINX-UHFFFAOYSA-N 1 2 377.242 2.426 20 0 GEADLO COc1ccc(Br)c(C[N@@H+](C)Cc2cc(=O)n3nccc3[nH]2)c1 ZINC000429318665 532473700 /nfs/dbraw/zinc/47/37/00/532473700.db2.gz RWFDQDFLROTINX-UHFFFAOYSA-N 1 2 377.242 2.426 20 0 GEADLO O=S(=O)(c1ccccc1Cl)N1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000195233281 532472506 /nfs/dbraw/zinc/47/25/06/532472506.db2.gz NHHPETCKCAGRQN-KRWDZBQOSA-N 1 2 388.917 2.190 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)c1ccc(OC)cc1I ZINC000295731940 532472844 /nfs/dbraw/zinc/47/28/44/532472844.db2.gz LPHGDZXNLFSSIQ-UHFFFAOYSA-N 1 2 385.205 2.446 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000519645309 532472994 /nfs/dbraw/zinc/47/29/94/532472994.db2.gz DPZDHYDLXKROOL-ZDUSSCGKSA-N 1 2 388.917 2.005 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Br)ccc1OC(F)F ZINC000628912821 532476760 /nfs/dbraw/zinc/47/67/60/532476760.db2.gz JJAILRIWNZUECG-JTQLQIEISA-N 1 2 379.201 2.111 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Br)ccc1OC(F)F ZINC000628912821 532476766 /nfs/dbraw/zinc/47/67/66/532476766.db2.gz JJAILRIWNZUECG-JTQLQIEISA-N 1 2 379.201 2.111 20 0 GEADLO Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2C)c2ccc(Br)cc2n1 ZINC000628921708 532477286 /nfs/dbraw/zinc/47/72/86/532477286.db2.gz RXWAYVLBCVZORK-ZDUSSCGKSA-N 1 2 378.270 2.366 20 0 GEADLO Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)c2ccc(Br)cc2n1 ZINC000628921708 532477298 /nfs/dbraw/zinc/47/72/98/532477298.db2.gz RXWAYVLBCVZORK-ZDUSSCGKSA-N 1 2 378.270 2.366 20 0 GEADLO C[C@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)[NH+]1CCSCC1 ZINC000628906685 532477582 /nfs/dbraw/zinc/47/75/82/532477582.db2.gz KNLYBHOQGKUEOG-BXUZGUMPSA-N 1 2 385.892 2.138 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCSC2(CCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000562705849 532478000 /nfs/dbraw/zinc/47/80/00/532478000.db2.gz SJFSBPINTJWHLD-JKSUJKDBSA-N 1 2 388.599 2.162 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCSC2(CCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000562705849 532478006 /nfs/dbraw/zinc/47/80/06/532478006.db2.gz SJFSBPINTJWHLD-JKSUJKDBSA-N 1 2 388.599 2.162 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CCc2ccc(Cl)cc21 ZINC000651836304 532496768 /nfs/dbraw/zinc/49/67/68/532496768.db2.gz ODHVMQXXMLMJEJ-OAHLLOKOSA-N 1 2 386.945 2.354 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000519832350 532479770 /nfs/dbraw/zinc/47/97/70/532479770.db2.gz HFGDPSBJMANHDW-ZIAGYGMSSA-N 1 2 378.416 2.002 20 0 GEADLO O=S(=O)(c1ccc2ncsc2c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282599935 532480885 /nfs/dbraw/zinc/48/08/85/532480885.db2.gz JQVUHYXUIIPKKQ-CQSZACIVSA-N 1 2 381.523 2.029 20 0 GEADLO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H](C)S(C)(=O)=O ZINC000468944006 532482533 /nfs/dbraw/zinc/48/25/33/532482533.db2.gz NXPMKXRNFLAUSR-KGLIPLIRSA-N 1 2 386.945 2.490 20 0 GEADLO Cn1cc[nH+]c1[C@H]1N(C(=O)Cc2cc[nH]c(=O)c2Br)CC1(C)C ZINC000295877403 532484305 /nfs/dbraw/zinc/48/43/05/532484305.db2.gz LVJSIEVVPSNSQA-CYBMUJFWSA-N 1 2 379.258 2.435 20 0 GEADLO CN(C)c1ccc(CNC(=O)Nc2cc3ccc(Br)cn3n2)c[nH+]1 ZINC000429967327 532486222 /nfs/dbraw/zinc/48/62/22/532486222.db2.gz GCRDBVRWMGNFTE-UHFFFAOYSA-N 1 2 389.257 2.880 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c(=O)n1C ZINC000295945295 532488869 /nfs/dbraw/zinc/48/88/69/532488869.db2.gz QLEBPCUTNJFSRR-CYBMUJFWSA-N 1 2 393.285 2.413 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000282695140 532489819 /nfs/dbraw/zinc/48/98/19/532489819.db2.gz XKTLAWJMIXPKSK-DOMZBBRYSA-N 1 2 398.301 2.293 20 0 GEADLO Cc1oc(Br)cc1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629431191 532492237 /nfs/dbraw/zinc/49/22/37/532492237.db2.gz CZVSTZGJODSDFS-AWEZNQCLSA-N 1 2 394.269 2.376 20 0 GEADLO Cc1oc(Br)cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629431191 532492238 /nfs/dbraw/zinc/49/22/38/532492238.db2.gz CZVSTZGJODSDFS-AWEZNQCLSA-N 1 2 394.269 2.376 20 0 GEADLO Brc1ccc2c(c1)CN(c1cc(N3CCOCC3)[nH+]cn1)CCO2 ZINC000282762459 532493955 /nfs/dbraw/zinc/49/39/55/532493955.db2.gz CTQWUVWAVHWKPL-UHFFFAOYSA-N 1 2 391.269 2.475 20 0 GEADLO Brc1ccc2c(c1)CN(c1cc(N3CCOCC3)nc[nH+]1)CCO2 ZINC000282762459 532493963 /nfs/dbraw/zinc/49/39/63/532493963.db2.gz CTQWUVWAVHWKPL-UHFFFAOYSA-N 1 2 391.269 2.475 20 0 GEADLO O=S(=O)(c1cncc(Br)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469157430 532494042 /nfs/dbraw/zinc/49/40/42/532494042.db2.gz WKLZTFYCKUZSFL-CYBMUJFWSA-N 1 2 384.255 2.081 20 0 GEADLO COc1ccc(Br)c(C[N@H+](C)CCn2nc3ccccn3c2=O)c1 ZINC000429298914 532473987 /nfs/dbraw/zinc/47/39/87/532473987.db2.gz WUJXOPLTCGQMHS-UHFFFAOYSA-N 1 2 391.269 2.399 20 0 GEADLO COc1ccc(Br)c(C[N@@H+](C)CCn2nc3ccccn3c2=O)c1 ZINC000429298914 532473991 /nfs/dbraw/zinc/47/39/91/532473991.db2.gz WUJXOPLTCGQMHS-UHFFFAOYSA-N 1 2 391.269 2.399 20 0 GEADLO Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920380 532475998 /nfs/dbraw/zinc/47/59/98/532475998.db2.gz WOTKGGNNSLFEOA-AWEZNQCLSA-N 1 2 394.269 2.473 20 0 GEADLO Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920380 532476006 /nfs/dbraw/zinc/47/60/06/532476006.db2.gz WOTKGGNNSLFEOA-AWEZNQCLSA-N 1 2 394.269 2.473 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000684289092 532476465 /nfs/dbraw/zinc/47/64/65/532476465.db2.gz LSJATCXJGIKBOV-CYBMUJFWSA-N 1 2 382.511 2.285 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1 ZINC000296202220 532505375 /nfs/dbraw/zinc/50/53/75/532505375.db2.gz WCOBVHVPHYDAPK-HNNXBMFYSA-N 1 2 385.511 2.269 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000521110918 532506583 /nfs/dbraw/zinc/50/65/83/532506583.db2.gz FYDBQIYFRCWYQH-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO COC(=O)CNC(=O)C[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000521196563 532507954 /nfs/dbraw/zinc/50/79/54/532507954.db2.gz NFUBSOFGEGMVOY-UHFFFAOYSA-N 1 2 375.238 2.088 20 0 GEADLO COC(=O)CNC(=O)C[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000521196563 532507960 /nfs/dbraw/zinc/50/79/60/532507960.db2.gz NFUBSOFGEGMVOY-UHFFFAOYSA-N 1 2 375.238 2.088 20 0 GEADLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cnc(N2CCOCC2)s1 ZINC000282956812 532508503 /nfs/dbraw/zinc/50/85/03/532508503.db2.gz HQICGKOXBYJZAG-UHFFFAOYSA-N 1 2 380.539 2.180 20 0 GEADLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cnc(N2CCOCC2)s1 ZINC000282956812 532508508 /nfs/dbraw/zinc/50/85/08/532508508.db2.gz HQICGKOXBYJZAG-UHFFFAOYSA-N 1 2 380.539 2.180 20 0 GEADLO CC[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000296262376 532509371 /nfs/dbraw/zinc/50/93/71/532509371.db2.gz DJCZXJAMAGZOSY-ZDUSSCGKSA-N 1 2 383.905 2.485 20 0 GEADLO Cc1csc(CNC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000282968381 532510277 /nfs/dbraw/zinc/51/02/77/532510277.db2.gz CLKKIQHESNWQMY-CQSZACIVSA-N 1 2 380.901 2.140 20 0 GEADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CC(=O)NCc2ccc(Cl)s2)O1 ZINC000374570632 532511315 /nfs/dbraw/zinc/51/13/15/532511315.db2.gz CEEKJMWNYMQTEB-ZZVYKPCYSA-N 1 2 386.901 2.201 20 0 GEADLO O=C(CN1CC[NH2+]CC1=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000237715551 532511271 /nfs/dbraw/zinc/51/12/71/532511271.db2.gz NBYWSACYDWNDKB-UHFFFAOYSA-N 1 2 399.303 2.411 20 0 GEADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CC(=O)NCc2ccc(Cl)s2)O1 ZINC000374570632 532511321 /nfs/dbraw/zinc/51/13/21/532511321.db2.gz CEEKJMWNYMQTEB-ZZVYKPCYSA-N 1 2 386.901 2.201 20 0 GEADLO O=C(NC[C@@H]1CCCC[NH2+]1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000237922298 532513758 /nfs/dbraw/zinc/51/37/58/532513758.db2.gz UPQMVFHSRIWVGL-HNNXBMFYSA-N 1 2 379.507 2.421 20 0 GEADLO CNc1[nH+]cnc2c1cnn2Cc1c(Br)cccc1C(=O)OC ZINC000431506365 532514129 /nfs/dbraw/zinc/51/41/29/532514129.db2.gz NDRBNARYVMAQEI-UHFFFAOYSA-N 1 2 376.214 2.465 20 0 GEADLO C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ncc(Br)cn1 ZINC000431507510 532514280 /nfs/dbraw/zinc/51/42/80/532514280.db2.gz SXENKVFGZOGZSO-VXGBXAGGSA-N 1 2 393.289 2.411 20 0 GEADLO C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ncc(Br)cn1 ZINC000431507510 532514290 /nfs/dbraw/zinc/51/42/90/532514290.db2.gz SXENKVFGZOGZSO-VXGBXAGGSA-N 1 2 393.289 2.411 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000564086912 532515841 /nfs/dbraw/zinc/51/58/41/532515841.db2.gz WHFQOMYGQRJMAE-QWRGUYRKSA-N 1 2 389.905 2.020 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000564086912 532515845 /nfs/dbraw/zinc/51/58/45/532515845.db2.gz WHFQOMYGQRJMAE-QWRGUYRKSA-N 1 2 389.905 2.020 20 0 GEADLO Cc1cc(C)c(S(=O)(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)s1 ZINC000431537088 532516490 /nfs/dbraw/zinc/51/64/90/532516490.db2.gz NKNSNDFBOHYZKV-OAHLLOKOSA-N 1 2 384.523 2.467 20 0 GEADLO COc1cc[nH+]cc1CNS(=O)(=O)c1cc(F)ccc1Br ZINC000431589205 532517304 /nfs/dbraw/zinc/51/73/04/532517304.db2.gz JMNVXJMZUZXKIF-UHFFFAOYSA-N 1 2 375.219 2.470 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000296058024 532498801 /nfs/dbraw/zinc/49/88/01/532498801.db2.gz CQIQAPQBYCZLOU-AWEZNQCLSA-N 1 2 388.917 2.058 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000296058024 532498804 /nfs/dbraw/zinc/49/88/04/532498804.db2.gz CQIQAPQBYCZLOU-AWEZNQCLSA-N 1 2 388.917 2.058 20 0 GEADLO O=C(c1cccc(I)c1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374374696 532499515 /nfs/dbraw/zinc/49/95/15/532499515.db2.gz XIFUMHFJNLINMH-OAHLLOKOSA-N 1 2 393.228 2.473 20 0 GEADLO O=C(Cc1cccc(Cl)c1Cl)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000469305196 532500683 /nfs/dbraw/zinc/50/06/83/532500683.db2.gz UNEKBGOHDHUYFU-UHFFFAOYSA-N 1 2 383.279 2.703 20 0 GEADLO O=C([C@H]1COc2ccc(Br)cc21)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374383471 532501377 /nfs/dbraw/zinc/50/13/77/532501377.db2.gz FEYODQXIDATLBP-JKSUJKDBSA-N 1 2 388.265 2.493 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000375142411 532537581 /nfs/dbraw/zinc/53/75/81/532537581.db2.gz KYHRIXWFQMBTSI-NSHDSACASA-N 1 2 383.857 2.418 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000296736409 532537793 /nfs/dbraw/zinc/53/77/93/532537793.db2.gz CRPGJXBXDHFOAG-IJLUTSLNSA-N 1 2 378.420 2.251 20 0 GEADLO O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000283414778 532539009 /nfs/dbraw/zinc/53/90/09/532539009.db2.gz BBIMCFJSABVLNL-UHFFFAOYSA-N 1 2 381.885 2.191 20 0 GEADLO Cn1cc(Br)c(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)n1 ZINC000432552563 532541223 /nfs/dbraw/zinc/54/12/23/532541223.db2.gz DZSRZYWURDPDCE-UHFFFAOYSA-N 1 2 388.269 2.400 20 0 GEADLO Cc1csc(CNC(=O)C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1 ZINC000283486255 532541434 /nfs/dbraw/zinc/54/14/34/532541434.db2.gz NWRUKPUNBYJDJW-CYBMUJFWSA-N 1 2 378.523 2.035 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000375194887 532542656 /nfs/dbraw/zinc/54/26/56/532542656.db2.gz NGEFOSBYDMYJAO-QWHCGFSZSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000375194887 532542660 /nfs/dbraw/zinc/54/26/60/532542660.db2.gz NGEFOSBYDMYJAO-QWHCGFSZSA-N 1 2 386.901 2.374 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[NH+]2CCC(Oc3ccccn3)CC2)c1 ZINC000565049094 532544711 /nfs/dbraw/zinc/54/47/11/532544711.db2.gz YIOFDHZMOHAHJX-UHFFFAOYSA-N 1 2 381.885 2.426 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000630444182 532520076 /nfs/dbraw/zinc/52/00/76/532520076.db2.gz VJMFRAGENIYYIP-CYBMUJFWSA-N 1 2 379.265 2.082 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000431776699 532522205 /nfs/dbraw/zinc/52/22/05/532522205.db2.gz SKOKZYNZCVDOHO-CQSZACIVSA-N 1 2 396.329 2.223 20 0 GEADLO CCOC(=O)C[N@H+](CC)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000527135293 532544996 /nfs/dbraw/zinc/54/49/96/532544996.db2.gz HDYZFWBWCFXDHE-CYBMUJFWSA-N 1 2 378.238 2.213 20 0 GEADLO CCOC(=O)C[N@@H+](CC)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000527135293 532545002 /nfs/dbraw/zinc/54/50/02/532545002.db2.gz HDYZFWBWCFXDHE-CYBMUJFWSA-N 1 2 378.238 2.213 20 0 GEADLO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245915824 532525155 /nfs/dbraw/zinc/52/51/55/532525155.db2.gz RGWFIIRDYDAWHY-UKRRQHHQSA-N 1 2 382.302 2.214 20 0 GEADLO CCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245915824 532525162 /nfs/dbraw/zinc/52/51/62/532525162.db2.gz RGWFIIRDYDAWHY-UKRRQHHQSA-N 1 2 382.302 2.214 20 0 GEADLO C[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ncc(Br)cn1 ZINC000431955349 532525878 /nfs/dbraw/zinc/52/58/78/532525878.db2.gz UMRQOMXQWBCRGI-NSHDSACASA-N 1 2 379.262 2.497 20 0 GEADLO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245893836 532525871 /nfs/dbraw/zinc/52/58/71/532525871.db2.gz SDBKRBZHOZZVPE-DZGCQCFKSA-N 1 2 382.302 2.214 20 0 GEADLO CCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245893836 532525876 /nfs/dbraw/zinc/52/58/76/532525876.db2.gz SDBKRBZHOZZVPE-DZGCQCFKSA-N 1 2 382.302 2.214 20 0 GEADLO O=S(=O)(CC[N@H+]1CCSC[C@H]1CCO)c1ccc(Br)cc1 ZINC000470362188 532525923 /nfs/dbraw/zinc/52/59/23/532525923.db2.gz CTGNKVMKEYCGHN-CYBMUJFWSA-N 1 2 394.356 2.023 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCSC[C@H]1CCO)c1ccc(Br)cc1 ZINC000470362188 532525929 /nfs/dbraw/zinc/52/59/29/532525929.db2.gz CTGNKVMKEYCGHN-CYBMUJFWSA-N 1 2 394.356 2.023 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)c(C)nc2OC)CCO1 ZINC000470438465 532529195 /nfs/dbraw/zinc/52/91/95/532529195.db2.gz OEUJMJVNKMXAKP-GFCCVEGCSA-N 1 2 386.290 2.002 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)c(C)nc2OC)CCO1 ZINC000470438465 532529198 /nfs/dbraw/zinc/52/91/98/532529198.db2.gz OEUJMJVNKMXAKP-GFCCVEGCSA-N 1 2 386.290 2.002 20 0 GEADLO O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000564740288 532530867 /nfs/dbraw/zinc/53/08/67/532530867.db2.gz LBLUODMWGIRDTL-GFCCVEGCSA-N 1 2 394.871 2.494 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000246075229 532531306 /nfs/dbraw/zinc/53/13/06/532531306.db2.gz FITFVCZOPKZGAD-WCQYABFASA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@H+]1C[C@H](C)O ZINC000246075229 532531310 /nfs/dbraw/zinc/53/13/10/532531310.db2.gz FITFVCZOPKZGAD-WCQYABFASA-N 1 2 381.325 2.459 20 0 GEADLO O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000653099957 532532816 /nfs/dbraw/zinc/53/28/16/532532816.db2.gz DSKQMXBTQGJRLM-GFCCVEGCSA-N 1 2 380.495 2.272 20 0 GEADLO COC(=O)[C@@]1(C)CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000471183387 532545303 /nfs/dbraw/zinc/54/53/03/532545303.db2.gz XLCZPHIEACLOEL-INIZCTEOSA-N 1 2 395.257 2.191 20 0 GEADLO C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246210806 532533950 /nfs/dbraw/zinc/53/39/50/532533950.db2.gz YIJMJGWSDVBQCR-MELADBBJSA-N 1 2 384.464 2.075 20 0 GEADLO C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246210806 532533954 /nfs/dbraw/zinc/53/39/54/532533954.db2.gz YIJMJGWSDVBQCR-MELADBBJSA-N 1 2 384.464 2.075 20 0 GEADLO CN(C)c1cc(NC(=O)[C@@H]2CCCN2c2ncccn2)[nH+]cc1Br ZINC000654183586 532552065 /nfs/dbraw/zinc/55/20/65/532552065.db2.gz KNTGWFFETQEBCE-LBPRGKRZSA-N 1 2 391.273 2.308 20 0 GEADLO C[C@H](CNC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000631289120 532552344 /nfs/dbraw/zinc/55/23/44/532552344.db2.gz OLYPOHSSGXAGGZ-LSBZLQRGSA-N 1 2 394.357 2.479 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000375371826 532553587 /nfs/dbraw/zinc/55/35/87/532553587.db2.gz XBFZNADHZMCKLA-JTQLQIEISA-N 1 2 388.262 2.500 20 0 GEADLO C[C@@]1(Br)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000527714696 532554174 /nfs/dbraw/zinc/55/41/74/532554174.db2.gz ZYOPSUWQLXYWFK-RDTXWAMCSA-N 1 2 395.297 2.276 20 0 GEADLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1CC1CCS(=O)(=O)CC1)C(=O)OC(C)(C)C ZINC000375395198 532554379 /nfs/dbraw/zinc/55/43/79/532554379.db2.gz WSEWKPVHMLBOGX-GJZGRUSLSA-N 1 2 378.510 2.091 20 0 GEADLO CN(C[C@@H]1C[C@H](F)C[N@H+]1CC1CCS(=O)(=O)CC1)C(=O)OC(C)(C)C ZINC000375395198 532554383 /nfs/dbraw/zinc/55/43/83/532554383.db2.gz WSEWKPVHMLBOGX-GJZGRUSLSA-N 1 2 378.510 2.091 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000631689245 532555189 /nfs/dbraw/zinc/55/51/89/532555189.db2.gz YPYRDJLIIDVCBX-JSGCOSHPSA-N 1 2 376.931 2.127 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000631689245 532555196 /nfs/dbraw/zinc/55/51/96/532555196.db2.gz YPYRDJLIIDVCBX-JSGCOSHPSA-N 1 2 376.931 2.127 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]C[C@@H](n2cncn2)C(F)(F)F)c2cc(F)ccc21 ZINC000631687513 532556085 /nfs/dbraw/zinc/55/60/85/532556085.db2.gz FOJREHCVBOTMCQ-WCQYABFASA-N 1 2 378.351 2.029 20 0 GEADLO CN(C)c1ccc(CNS(=O)(=O)c2cscc2Br)c[nH+]1 ZINC000631726872 532557583 /nfs/dbraw/zinc/55/75/83/532557583.db2.gz SBJSQWPNKMFYCB-UHFFFAOYSA-N 1 2 376.301 2.450 20 0 GEADLO COCCN(C(C)=O)c1nc(C[N@H+](CCOC)[C@H]2CCCSC2)cs1 ZINC000433194144 532557889 /nfs/dbraw/zinc/55/78/89/532557889.db2.gz VCSYLILDJVRUGF-INIZCTEOSA-N 1 2 387.571 2.486 20 0 GEADLO COCCN(C(C)=O)c1nc(C[N@@H+](CCOC)[C@H]2CCCSC2)cs1 ZINC000433194144 532557891 /nfs/dbraw/zinc/55/78/91/532557891.db2.gz VCSYLILDJVRUGF-INIZCTEOSA-N 1 2 387.571 2.486 20 0 GEADLO COC[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)O1 ZINC000433236452 532559625 /nfs/dbraw/zinc/55/96/25/532559625.db2.gz RACPVVIUGHYAPI-RCBQFDQVSA-N 1 2 383.286 2.290 20 0 GEADLO COC[C@@H]1C[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)O1 ZINC000433236452 532559627 /nfs/dbraw/zinc/55/96/27/532559627.db2.gz RACPVVIUGHYAPI-RCBQFDQVSA-N 1 2 383.286 2.290 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000471916907 532562075 /nfs/dbraw/zinc/56/20/75/532562075.db2.gz DIPXABQAASHJOO-LLVKDONJSA-N 1 2 382.873 2.498 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cccc(I)c1)c1[nH+]ccn1C ZINC000595384577 532562502 /nfs/dbraw/zinc/56/25/02/532562502.db2.gz YGUVEXOYKUFTQT-SECBINFHSA-N 1 2 391.234 2.064 20 0 GEADLO NC(=O)[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1C(F)(F)F ZINC000375514502 532563543 /nfs/dbraw/zinc/56/35/43/532563543.db2.gz YFBXOGAHYRQXLE-BREBYQMCSA-N 1 2 375.778 2.041 20 0 GEADLO NC(=O)[C@@H]1C[N@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1C(F)(F)F ZINC000375514502 532563549 /nfs/dbraw/zinc/56/35/49/532563549.db2.gz YFBXOGAHYRQXLE-BREBYQMCSA-N 1 2 375.778 2.041 20 0 GEADLO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000433358592 532564644 /nfs/dbraw/zinc/56/46/44/532564644.db2.gz CCTRTBAFDJMMTK-RYUDHWBXSA-N 1 2 386.901 2.470 20 0 GEADLO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000433358592 532564647 /nfs/dbraw/zinc/56/46/47/532564647.db2.gz CCTRTBAFDJMMTK-RYUDHWBXSA-N 1 2 386.901 2.470 20 0 GEADLO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000433358591 532564917 /nfs/dbraw/zinc/56/49/17/532564917.db2.gz CCTRTBAFDJMMTK-NWDGAFQWSA-N 1 2 386.901 2.470 20 0 GEADLO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000433358591 532564922 /nfs/dbraw/zinc/56/49/22/532564922.db2.gz CCTRTBAFDJMMTK-NWDGAFQWSA-N 1 2 386.901 2.470 20 0 GEADLO C[C@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1nc(-c2ccccc2)cs1 ZINC000631918418 532566630 /nfs/dbraw/zinc/56/66/30/532566630.db2.gz BWTBGRJIPXJGNJ-ZFWWWQNUSA-N 1 2 381.523 2.121 20 0 GEADLO C[C@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1nc(-c2ccccc2)cs1 ZINC000631918418 532566632 /nfs/dbraw/zinc/56/66/32/532566632.db2.gz BWTBGRJIPXJGNJ-ZFWWWQNUSA-N 1 2 381.523 2.121 20 0 GEADLO Cc1cc(S(=O)(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)sn1 ZINC000631947062 532567918 /nfs/dbraw/zinc/56/79/18/532567918.db2.gz STKPNWRVOQFWLY-UHFFFAOYSA-N 1 2 384.527 2.247 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000528534492 532570232 /nfs/dbraw/zinc/57/02/32/532570232.db2.gz BWBBSKIOKIKGBA-UHFFFAOYSA-N 1 2 376.881 2.355 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H]2CNS(=O)(=O)c2sc(C)nc2C)cc1 ZINC000528503470 532568306 /nfs/dbraw/zinc/56/83/06/532568306.db2.gz SLJUQKHGESSPCC-HNNXBMFYSA-N 1 2 381.523 2.321 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H]2CNS(=O)(=O)c2sc(C)nc2C)cc1 ZINC000528503470 532568310 /nfs/dbraw/zinc/56/83/10/532568310.db2.gz SLJUQKHGESSPCC-HNNXBMFYSA-N 1 2 381.523 2.321 20 0 GEADLO O=S(=O)(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cnc2n1CCC2 ZINC000565580347 532569442 /nfs/dbraw/zinc/56/94/42/532569442.db2.gz BDDODNHMLBUQNK-UHFFFAOYSA-N 1 2 377.857 2.147 20 0 GEADLO O=C(NCC1CC[NH2+]CC1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000296831833 532546659 /nfs/dbraw/zinc/54/66/59/532546659.db2.gz BFNJISINWXYNIW-UHFFFAOYSA-N 1 2 379.507 2.278 20 0 GEADLO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(NS(C)(=O)=O)c1 ZINC000432868855 532546782 /nfs/dbraw/zinc/54/67/82/532546782.db2.gz SWAVGFQUENQPIT-SNVBAGLBSA-N 1 2 387.303 2.405 20 0 GEADLO Cn1c[nH+]cc1CC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000527273821 532547084 /nfs/dbraw/zinc/54/70/84/532547084.db2.gz ZLBSLQIHWQRSGD-UHFFFAOYSA-N 1 2 376.214 2.092 20 0 GEADLO O=C(CC1CS(=O)(=O)C1)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000631200741 532547315 /nfs/dbraw/zinc/54/73/15/532547315.db2.gz IQGUECZNRSTSJJ-KRWDZBQOSA-N 1 2 384.929 2.245 20 0 GEADLO O=C(CC1CS(=O)(=O)C1)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000631200741 532547325 /nfs/dbraw/zinc/54/73/25/532547325.db2.gz IQGUECZNRSTSJJ-KRWDZBQOSA-N 1 2 384.929 2.245 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(Cl)c(N)c1Cl)C2 ZINC000565086066 532548148 /nfs/dbraw/zinc/54/81/48/532548148.db2.gz JEPPTINMTFDVDY-SNVBAGLBSA-N 1 2 383.279 2.360 20 0 GEADLO CCCN(C(=O)[C@H](C)[NH2+][C@H](C)c1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 ZINC000247372604 532548500 /nfs/dbraw/zinc/54/85/00/532548500.db2.gz FGHPOZMEJQCTHQ-RDBSUJKOSA-N 1 2 387.571 2.170 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3occc3Br)cc2C1 ZINC000433971300 532583652 /nfs/dbraw/zinc/58/36/52/532583652.db2.gz XDSLKTNJXLDRQP-UHFFFAOYSA-N 1 2 378.226 2.138 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3occc3Br)cc2C1 ZINC000433971300 532583660 /nfs/dbraw/zinc/58/36/60/532583660.db2.gz XDSLKTNJXLDRQP-UHFFFAOYSA-N 1 2 378.226 2.138 20 0 GEADLO O=C(NCCOCC(F)(F)C(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000433941962 532584413 /nfs/dbraw/zinc/58/44/13/532584413.db2.gz ORVHRFOLPCSKBP-UHFFFAOYSA-N 1 2 383.411 2.492 20 0 GEADLO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000473124559 532585615 /nfs/dbraw/zinc/58/56/15/532585615.db2.gz QEKIOBWHDIRPPY-UHFFFAOYSA-N 1 2 392.257 2.297 20 0 GEADLO CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000284309715 532586439 /nfs/dbraw/zinc/58/64/39/532586439.db2.gz IVZCGHRIYIYOEK-GFCCVEGCSA-N 1 2 387.933 2.196 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000297392390 532587259 /nfs/dbraw/zinc/58/72/59/532587259.db2.gz WNKZYHWAWZCDST-CZUORRHYSA-N 1 2 387.571 2.134 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000284335282 532587315 /nfs/dbraw/zinc/58/73/15/532587315.db2.gz BUKLAZSQVRPOQB-VXGBXAGGSA-N 1 2 399.314 2.466 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000284335282 532587320 /nfs/dbraw/zinc/58/73/20/532587320.db2.gz BUKLAZSQVRPOQB-VXGBXAGGSA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@@H]2CC[N@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000284335282 532587325 /nfs/dbraw/zinc/58/73/25/532587325.db2.gz BUKLAZSQVRPOQB-VXGBXAGGSA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@@H]2CC[N@@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000284335282 532587329 /nfs/dbraw/zinc/58/73/29/532587329.db2.gz BUKLAZSQVRPOQB-VXGBXAGGSA-N 1 2 399.314 2.466 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1ccccc1Br ZINC000434094438 532587402 /nfs/dbraw/zinc/58/74/02/532587402.db2.gz WFHJIRMSWNCSNA-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO COC(=O)Cc1cc[nH+]c(NC[C@@H](O)COc2ccccc2Br)c1 ZINC000596168500 532589970 /nfs/dbraw/zinc/58/99/70/532589970.db2.gz NIWGIIBKFHQQTN-CYBMUJFWSA-N 1 2 395.253 2.411 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000250095273 532570640 /nfs/dbraw/zinc/57/06/40/532570640.db2.gz QOYDUNIIZMEHBS-ZIAGYGMSSA-N 1 2 397.313 2.183 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000250095273 532570650 /nfs/dbraw/zinc/57/06/50/532570650.db2.gz QOYDUNIIZMEHBS-ZIAGYGMSSA-N 1 2 397.313 2.183 20 0 GEADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000595776881 532573719 /nfs/dbraw/zinc/57/37/19/532573719.db2.gz WKUYBQSJOHGMNJ-SWLSCSKDSA-N 1 2 396.228 2.209 20 0 GEADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000595772956 532573827 /nfs/dbraw/zinc/57/38/27/532573827.db2.gz KXUYVZGSXLSXJZ-WFASDCNBSA-N 1 2 378.238 2.070 20 0 GEADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000595776879 532573889 /nfs/dbraw/zinc/57/38/89/532573889.db2.gz WKUYBQSJOHGMNJ-DOMZBBRYSA-N 1 2 396.228 2.209 20 0 GEADLO Cc1csc([C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C(F)(F)F)n1 ZINC000297217214 532574480 /nfs/dbraw/zinc/57/44/80/532574480.db2.gz VWNCRIKEVLUBEO-TUAOUCFPSA-N 1 2 380.436 2.463 20 0 GEADLO CNC(=O)NC[C@H]1C[N@H+](CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000528626216 532576435 /nfs/dbraw/zinc/57/64/35/532576435.db2.gz DLSVBFJVISKTSQ-HNNXBMFYSA-N 1 2 398.301 2.042 20 0 GEADLO CNC(=O)NC[C@H]1C[N@@H+](CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000528626216 532576438 /nfs/dbraw/zinc/57/64/38/532576438.db2.gz DLSVBFJVISKTSQ-HNNXBMFYSA-N 1 2 398.301 2.042 20 0 GEADLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000528731218 532578592 /nfs/dbraw/zinc/57/85/92/532578592.db2.gz TYQHRQCXXQKLQC-UHFFFAOYSA-N 1 2 378.523 2.042 20 0 GEADLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000528731218 532578599 /nfs/dbraw/zinc/57/85/99/532578599.db2.gz TYQHRQCXXQKLQC-UHFFFAOYSA-N 1 2 378.523 2.042 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000297312868 532580385 /nfs/dbraw/zinc/58/03/85/532580385.db2.gz YOOXKSMYJHQXGN-HNNXBMFYSA-N 1 2 385.302 2.052 20 0 GEADLO CC(C)S(=O)(=O)CC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435336774 532613890 /nfs/dbraw/zinc/61/38/90/532613890.db2.gz QYLCUTBPJGRQJO-UHFFFAOYSA-N 1 2 383.901 2.389 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc[nH]c(=O)c1Br ZINC000435395869 532614864 /nfs/dbraw/zinc/61/48/64/532614864.db2.gz VMJHKKOTAVFAJE-UHFFFAOYSA-N 1 2 377.242 2.475 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)sc1Cl ZINC000632501097 532615770 /nfs/dbraw/zinc/61/57/70/532615770.db2.gz IVRYJRHUQLMJMB-NEPJUHHUSA-N 1 2 378.947 2.488 20 0 GEADLO O=C(NCc1cc(Br)cc2c1OCC2)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000566568429 532617726 /nfs/dbraw/zinc/61/77/26/532617726.db2.gz QMVLUWXVVPYLML-CYBMUJFWSA-N 1 2 391.269 2.464 20 0 GEADLO O=C(NCc1cc(Br)cc2c1OCC2)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000566568429 532617731 /nfs/dbraw/zinc/61/77/31/532617731.db2.gz QMVLUWXVVPYLML-CYBMUJFWSA-N 1 2 391.269 2.464 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000376164265 532598582 /nfs/dbraw/zinc/59/85/82/532598582.db2.gz DYRDTUROSHTETA-LBPRGKRZSA-N 1 2 384.299 2.121 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000376164265 532598590 /nfs/dbraw/zinc/59/85/90/532598590.db2.gz DYRDTUROSHTETA-LBPRGKRZSA-N 1 2 384.299 2.121 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000376203029 532601876 /nfs/dbraw/zinc/60/18/76/532601876.db2.gz INTIHGKWWKPVCO-SNVBAGLBSA-N 1 2 395.232 2.276 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](Nc2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000566329334 532605127 /nfs/dbraw/zinc/60/51/27/532605127.db2.gz FJPBFVKGLDEWIN-SECBINFHSA-N 1 2 388.262 2.004 20 0 GEADLO CCn1cnc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1 ZINC000474026918 532605158 /nfs/dbraw/zinc/60/51/58/532605158.db2.gz AJUKONWDOSYSCV-OAHLLOKOSA-N 1 2 379.873 2.358 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000474034277 532605584 /nfs/dbraw/zinc/60/55/84/532605584.db2.gz PFUPODWFINAMOF-SMDDNHRTSA-N 1 2 376.284 2.047 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(O)cc(Br)c1)C(C)(C)CO ZINC000529520176 532607130 /nfs/dbraw/zinc/60/71/30/532607130.db2.gz OKOFTVXBIWRYKP-CYBMUJFWSA-N 1 2 382.258 2.378 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Cl)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000632385687 532607239 /nfs/dbraw/zinc/60/72/39/532607239.db2.gz OXTSERHAXCDCQV-HNNXBMFYSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)(Cc1c(F)cccc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000632385435 532607953 /nfs/dbraw/zinc/60/79/53/532607953.db2.gz IJPCPFGCJPIIDA-CYBMUJFWSA-N 1 2 376.881 2.106 20 0 GEADLO Cc1c(Br)ccc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1F ZINC000435107623 532608321 /nfs/dbraw/zinc/60/83/21/532608321.db2.gz HYTNMLLLANYZLC-JTQLQIEISA-N 1 2 395.232 2.163 20 0 GEADLO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H]1c1cccc(Br)c1 ZINC000376340347 532608414 /nfs/dbraw/zinc/60/84/14/532608414.db2.gz KONDNVKSJHCALA-HNNXBMFYSA-N 1 2 391.331 2.152 20 0 GEADLO COCCCS(=O)(=O)NCC[N@H+]1CC[C@H]1c1cccc(Br)c1 ZINC000376340347 532608416 /nfs/dbraw/zinc/60/84/16/532608416.db2.gz KONDNVKSJHCALA-HNNXBMFYSA-N 1 2 391.331 2.152 20 0 GEADLO COC(=O)c1oc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1C ZINC000597117342 532612471 /nfs/dbraw/zinc/61/24/71/532612471.db2.gz OKFMXEIGXZWONW-CYBMUJFWSA-N 1 2 381.226 2.453 20 0 GEADLO C[C@@H](CC[NH+]1CCOCC1)NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000474688561 532626244 /nfs/dbraw/zinc/62/62/44/532626244.db2.gz ATLUDRFDKXLNIJ-AWEZNQCLSA-N 1 2 384.929 2.483 20 0 GEADLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1ccc(Br)s1 ZINC000436141021 532626746 /nfs/dbraw/zinc/62/67/46/532626746.db2.gz UVDLAXISFZOYNH-WDEREUQCSA-N 1 2 375.336 2.117 20 0 GEADLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1ccc(Br)s1 ZINC000436141021 532626753 /nfs/dbraw/zinc/62/67/53/532626753.db2.gz UVDLAXISFZOYNH-WDEREUQCSA-N 1 2 375.336 2.117 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1nc(Br)sc1C1CC1 ZINC000376738890 532627425 /nfs/dbraw/zinc/62/74/25/532627425.db2.gz ZGBITVHAXGFUAU-NSHDSACASA-N 1 2 386.315 2.376 20 0 GEADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1nc(Br)sc1C1CC1 ZINC000376738890 532627429 /nfs/dbraw/zinc/62/74/29/532627429.db2.gz ZGBITVHAXGFUAU-NSHDSACASA-N 1 2 386.315 2.376 20 0 GEADLO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)Nc1ccccc1Br ZINC000566896540 532629512 /nfs/dbraw/zinc/62/95/12/532629512.db2.gz YTHMSHPCQPRWPF-WOSRLPQWSA-N 1 2 383.286 2.249 20 0 GEADLO O=C(C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)Nc1ccccc1Br ZINC000566896540 532629519 /nfs/dbraw/zinc/62/95/19/532629519.db2.gz YTHMSHPCQPRWPF-WOSRLPQWSA-N 1 2 383.286 2.249 20 0 GEADLO Cn1nccc1S(=O)(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000656738744 532630188 /nfs/dbraw/zinc/63/01/88/532630188.db2.gz MLUSGWZFTFZHAZ-UHFFFAOYSA-N 1 2 377.495 2.425 20 0 GEADLO Cn1nccc1S(=O)(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000656738744 532630196 /nfs/dbraw/zinc/63/01/96/532630196.db2.gz MLUSGWZFTFZHAZ-UHFFFAOYSA-N 1 2 377.495 2.425 20 0 GEADLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)Cc2ccc(Cl)nc2)C[C@H](C)O1 ZINC000263656557 532631146 /nfs/dbraw/zinc/63/11/46/532631146.db2.gz COLBBFITFVNFIT-BETUJISGSA-N 1 2 375.922 2.042 20 0 GEADLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)Cc2ccc(Cl)nc2)C[C@H](C)O1 ZINC000263656557 532631155 /nfs/dbraw/zinc/63/11/55/532631155.db2.gz COLBBFITFVNFIT-BETUJISGSA-N 1 2 375.922 2.042 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000376822296 532632093 /nfs/dbraw/zinc/63/20/93/532632093.db2.gz IJPXWGWPNZXJBU-KBPBESRZSA-N 1 2 382.258 2.249 20 0 GEADLO COCc1cc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)no1 ZINC000298175372 532632902 /nfs/dbraw/zinc/63/29/02/532632902.db2.gz UVMKADQWACBXBK-HNNXBMFYSA-N 1 2 380.242 2.479 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)Cc1cc(F)ccc1Cl)[NH+]1CCOCC1 ZINC000656869492 532634164 /nfs/dbraw/zinc/63/41/64/532634164.db2.gz SDAMTWXQECLDCW-MRXNPFEDSA-N 1 2 378.897 2.255 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(C)c(Br)c2)C1 ZINC000567027394 532636476 /nfs/dbraw/zinc/63/64/76/532636476.db2.gz OUMLDQMKWPFYOI-OAHLLOKOSA-N 1 2 397.313 2.301 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(C)c(Br)c2)C1 ZINC000567027394 532636483 /nfs/dbraw/zinc/63/64/83/532636483.db2.gz OUMLDQMKWPFYOI-OAHLLOKOSA-N 1 2 397.313 2.301 20 0 GEADLO C[C@H](O)CCC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000475055674 532636620 /nfs/dbraw/zinc/63/66/20/532636620.db2.gz XAASKUVQWOLQCP-LBPRGKRZSA-N 1 2 381.325 2.461 20 0 GEADLO C[C@H](O)CCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000475046615 532637165 /nfs/dbraw/zinc/63/71/65/532637165.db2.gz IGNVJDDARCQLJD-LBPRGKRZSA-N 1 2 381.325 2.461 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000436518395 532637315 /nfs/dbraw/zinc/63/73/15/532637315.db2.gz RCEWGAFJIFHWQC-UHFFFAOYSA-N 1 2 391.229 2.232 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000298261172 532637337 /nfs/dbraw/zinc/63/73/37/532637337.db2.gz ZVSUFHFMFZJVGM-LLVKDONJSA-N 1 2 387.267 2.449 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000263746041 532638745 /nfs/dbraw/zinc/63/87/45/532638745.db2.gz WEILGTNEFKSHAS-AWEZNQCLSA-N 1 2 394.313 2.218 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000476428141 532644132 /nfs/dbraw/zinc/64/41/32/532644132.db2.gz NQFMCWYAKMUQSZ-GFCCVEGCSA-N 1 2 381.933 2.168 20 0 GEADLO O=C(C[N@@H+]1CCc2sccc2C1)NCCCn1cc(Br)cn1 ZINC000377138113 532645307 /nfs/dbraw/zinc/64/53/07/532645307.db2.gz ILVUSQSLRJZSDH-UHFFFAOYSA-N 1 2 383.315 2.272 20 0 GEADLO O=C(C[N@H+]1CCc2sccc2C1)NCCCn1cc(Br)cn1 ZINC000377138113 532645311 /nfs/dbraw/zinc/64/53/11/532645311.db2.gz ILVUSQSLRJZSDH-UHFFFAOYSA-N 1 2 383.315 2.272 20 0 GEADLO Cn1nc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2Br)nc1N ZINC000298556547 532659965 /nfs/dbraw/zinc/65/99/65/532659965.db2.gz OUAICNOPXQUJRZ-ZDUSSCGKSA-N 1 2 393.289 2.326 20 0 GEADLO Cn1nc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2Br)nc1N ZINC000298556547 532659969 /nfs/dbraw/zinc/65/99/69/532659969.db2.gz OUAICNOPXQUJRZ-ZDUSSCGKSA-N 1 2 393.289 2.326 20 0 GEADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@H](C)C2)cc1 ZINC000264093061 532661225 /nfs/dbraw/zinc/66/12/25/532661225.db2.gz GWFPRCYEMYQBMX-ZIAGYGMSSA-N 1 2 385.555 2.138 20 0 GEADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCS[C@H](C)C2)cc1 ZINC000264093061 532661231 /nfs/dbraw/zinc/66/12/31/532661231.db2.gz GWFPRCYEMYQBMX-ZIAGYGMSSA-N 1 2 385.555 2.138 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)c2cncc(Br)c2)c2ccccc2C1 ZINC000264109227 532661306 /nfs/dbraw/zinc/66/13/06/532661306.db2.gz JZFYXFBQLCNFQU-UHFFFAOYSA-N 1 2 382.283 2.485 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)c2cncc(Br)c2)c2ccccc2C1 ZINC000264109227 532661316 /nfs/dbraw/zinc/66/13/16/532661316.db2.gz JZFYXFBQLCNFQU-UHFFFAOYSA-N 1 2 382.283 2.485 20 0 GEADLO COc1cc(CNC(=O)NCc2[nH+]ccn2C)cc(Br)c1OC ZINC000264137968 532663068 /nfs/dbraw/zinc/66/30/68/532663068.db2.gz IMVVTCJRUDSMLX-UHFFFAOYSA-N 1 2 383.246 2.199 20 0 GEADLO CCCCn1c(SCCN2CCCS2(=O)=O)nnc1[C@H](CC)[NH+](C)C ZINC000533447766 532664895 /nfs/dbraw/zinc/66/48/95/532664895.db2.gz IJKNVXKNFPOIGY-AWEZNQCLSA-N 1 2 389.591 2.219 20 0 GEADLO CN(C1CC[NH+](Cc2cc(F)ccc2Br)CC1)S(C)(=O)=O ZINC000264188364 532666264 /nfs/dbraw/zinc/66/62/64/532666264.db2.gz MALLMFONVJHZTH-UHFFFAOYSA-N 1 2 379.295 2.444 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000481168292 532666274 /nfs/dbraw/zinc/66/62/74/532666274.db2.gz HSELBIYRALZLBL-LBPRGKRZSA-N 1 2 378.274 2.361 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000481168292 532666279 /nfs/dbraw/zinc/66/62/79/532666279.db2.gz HSELBIYRALZLBL-LBPRGKRZSA-N 1 2 378.274 2.361 20 0 GEADLO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000567862199 532667042 /nfs/dbraw/zinc/66/70/42/532667042.db2.gz SUPXAGFRWUSFJM-AWEZNQCLSA-N 1 2 379.295 2.388 20 0 GEADLO C[NH+](C)[C@@H](C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Cl)c1 ZINC000481163815 532667193 /nfs/dbraw/zinc/66/71/93/532667193.db2.gz JKLQXHVQXWZQJI-QWHCGFSZSA-N 1 2 377.794 2.222 20 0 GEADLO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2[nH+]ccn2C)c1 ZINC000264280043 532668464 /nfs/dbraw/zinc/66/84/64/532668464.db2.gz IBEOAHHGVNKZOJ-UHFFFAOYSA-N 1 2 384.889 2.032 20 0 GEADLO CCCSc1nsc(NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000532160052 532646827 /nfs/dbraw/zinc/64/68/27/532646827.db2.gz XTFVBUHPKIECJT-UHFFFAOYSA-N 1 2 381.531 2.123 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCc2cccc(Br)c2C1 ZINC000532301964 532648419 /nfs/dbraw/zinc/64/84/19/532648419.db2.gz FPFKAUPJPTYAKU-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCc2cccc(Br)c2C1 ZINC000532301964 532648423 /nfs/dbraw/zinc/64/84/23/532648423.db2.gz FPFKAUPJPTYAKU-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000263918453 532650064 /nfs/dbraw/zinc/65/00/64/532650064.db2.gz AWGQKSYICNWQTO-ZANVPECISA-N 1 2 386.235 2.384 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000263918453 532650067 /nfs/dbraw/zinc/65/00/67/532650067.db2.gz AWGQKSYICNWQTO-ZANVPECISA-N 1 2 386.235 2.384 20 0 GEADLO Cc1c(Br)cccc1S(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000437225124 532652349 /nfs/dbraw/zinc/65/23/49/532652349.db2.gz IQRFKMGBCQDGGD-UHFFFAOYSA-N 1 2 382.239 2.300 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)s1 ZINC000567385957 532652387 /nfs/dbraw/zinc/65/23/87/532652387.db2.gz YJSNKQODJWBXMM-UHFFFAOYSA-N 1 2 380.495 2.180 20 0 GEADLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(S(=O)(=O)c1ccncc1)CC2 ZINC000656982204 532653373 /nfs/dbraw/zinc/65/33/73/532653373.db2.gz JZBLBIRRIFNAKR-OAHLLOKOSA-N 1 2 378.523 2.213 20 0 GEADLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(S(=O)(=O)c1ccncc1)CC2 ZINC000656982204 532653379 /nfs/dbraw/zinc/65/33/79/532653379.db2.gz JZBLBIRRIFNAKR-OAHLLOKOSA-N 1 2 378.523 2.213 20 0 GEADLO O=C(CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F)NCC1CCCCC1 ZINC000437247723 532653520 /nfs/dbraw/zinc/65/35/20/532653520.db2.gz PJPQWQCADMVMHR-UHFFFAOYSA-N 1 2 381.420 2.057 20 0 GEADLO Cn1cccc(NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1=O ZINC000438293870 532668968 /nfs/dbraw/zinc/66/89/68/532668968.db2.gz IDOYGQDAPRMKPS-UHFFFAOYSA-N 1 2 376.214 2.117 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000567461136 532654110 /nfs/dbraw/zinc/65/41/10/532654110.db2.gz PRKBAZZXRFVBKQ-UHFFFAOYSA-N 1 2 379.262 2.225 20 0 GEADLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ncccc2Br)CC1(C)C ZINC000657000685 532657412 /nfs/dbraw/zinc/65/74/12/532657412.db2.gz WXUNTGMOONGWSR-LLVKDONJSA-N 1 2 385.287 2.349 20 0 GEADLO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)n2)C[C@@H]1n1cc[nH+]c1 ZINC000285211870 532658466 /nfs/dbraw/zinc/65/84/66/532658466.db2.gz MCDNDIYWUZQJQC-NEPJUHHUSA-N 1 2 392.257 2.089 20 0 GEADLO CCOC(=O)C[C@@H](O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000599372529 532658777 /nfs/dbraw/zinc/65/87/77/532658777.db2.gz VYGIFGVWYMRGCC-ZWNOBZJWSA-N 1 2 398.257 2.464 20 0 GEADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCS[C@@H](C)C2)cc1 ZINC000264093058 532659732 /nfs/dbraw/zinc/65/97/32/532659732.db2.gz GWFPRCYEMYQBMX-KBPBESRZSA-N 1 2 385.555 2.138 20 0 GEADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCS[C@@H](C)C2)cc1 ZINC000264093058 532659742 /nfs/dbraw/zinc/65/97/42/532659742.db2.gz GWFPRCYEMYQBMX-KBPBESRZSA-N 1 2 385.555 2.138 20 0 GEADLO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000638174003 532684390 /nfs/dbraw/zinc/68/43/90/532684390.db2.gz MOGVVLAUTWNRSS-UHFFFAOYSA-N 1 2 390.278 2.206 20 0 GEADLO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000638174003 532684398 /nfs/dbraw/zinc/68/43/98/532684398.db2.gz MOGVVLAUTWNRSS-UHFFFAOYSA-N 1 2 390.278 2.206 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000285478930 532685235 /nfs/dbraw/zinc/68/52/35/532685235.db2.gz OLBSYWLFOONMHK-CYBMUJFWSA-N 1 2 398.320 2.372 20 0 GEADLO O=S(=O)(c1ccc(F)c(Br)c1)N1CC[NH+](CC2CC2)CC1 ZINC000439245645 532685713 /nfs/dbraw/zinc/68/57/13/532685713.db2.gz JMHWDMCROZTDAT-UHFFFAOYSA-N 1 2 377.279 2.305 20 0 GEADLO CCN1CC[C@@H]([NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)C1=O ZINC000660010513 532669698 /nfs/dbraw/zinc/66/96/98/532669698.db2.gz BMSGCQXEOWKVMI-MRXNPFEDSA-N 1 2 384.293 2.327 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000264305901 532670313 /nfs/dbraw/zinc/67/03/13/532670313.db2.gz MSMNVDJOAVGQGI-UHFFFAOYSA-N 1 2 384.889 2.080 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298726495 532671357 /nfs/dbraw/zinc/67/13/57/532671357.db2.gz FSJIQOOQCXNGQN-KBPBESRZSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298726495 532671362 /nfs/dbraw/zinc/67/13/62/532671362.db2.gz FSJIQOOQCXNGQN-KBPBESRZSA-N 1 2 387.933 2.237 20 0 GEADLO CCN1CCN(S(=O)(=O)c2ccc(OC)cc2Cl)C[C@@H]1c1[nH]cc[nH+]1 ZINC000568132256 532672107 /nfs/dbraw/zinc/67/21/07/532672107.db2.gz RONBRKULJOYWCU-CQSZACIVSA-N 1 2 384.889 2.139 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000568118784 532672205 /nfs/dbraw/zinc/67/22/05/532672205.db2.gz LNPBFJVOHHURSQ-UHFFFAOYSA-N 1 2 389.612 2.230 20 0 GEADLO CSc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cc1 ZINC000660034303 532672382 /nfs/dbraw/zinc/67/23/82/532672382.db2.gz ISLLAZDSVPXLCO-IAGOWNOFSA-N 1 2 382.551 2.330 20 0 GEADLO O=C(Nc1scnc1C1CC1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534990308 532675662 /nfs/dbraw/zinc/67/56/62/532675662.db2.gz LQMIBHHCBMTWSD-UHFFFAOYSA-N 1 2 376.507 2.365 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3F)C[C@@H]21 ZINC000285371864 532676456 /nfs/dbraw/zinc/67/64/56/532676456.db2.gz UZPFGSMPTGMHFU-KBPBESRZSA-N 1 2 390.242 2.003 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3F)C[C@@H]21 ZINC000285371864 532676458 /nfs/dbraw/zinc/67/64/58/532676458.db2.gz UZPFGSMPTGMHFU-KBPBESRZSA-N 1 2 390.242 2.003 20 0 GEADLO Cc1ccc(F)c(NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)c1Br ZINC000484303392 532677207 /nfs/dbraw/zinc/67/72/07/532677207.db2.gz CEUYBRNYPKLSFG-UHFFFAOYSA-N 1 2 383.221 2.227 20 0 GEADLO C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cn1 ZINC000661108984 532678902 /nfs/dbraw/zinc/67/89/02/532678902.db2.gz SFHQLDGGICYOJT-OCCSQVGLSA-N 1 2 383.290 2.021 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000438951414 532680512 /nfs/dbraw/zinc/68/05/12/532680512.db2.gz SNKAMVVOUIWVCI-CYBMUJFWSA-N 1 2 388.555 2.304 20 0 GEADLO CN(C)c1ccc(CNS(=O)(=O)c2sccc2Br)c[nH+]1 ZINC000298880103 532682084 /nfs/dbraw/zinc/68/20/84/532682084.db2.gz ZIZVJVZOARXSGT-UHFFFAOYSA-N 1 2 376.301 2.450 20 0 GEADLO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000638174811 532683380 /nfs/dbraw/zinc/68/33/80/532683380.db2.gz ROKCBKBNROSLQR-ZDUSSCGKSA-N 1 2 391.331 2.343 20 0 GEADLO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000638174811 532683384 /nfs/dbraw/zinc/68/33/84/532683384.db2.gz ROKCBKBNROSLQR-ZDUSSCGKSA-N 1 2 391.331 2.343 20 0 GEADLO COC(C[N@H+](CCCO)CC(=O)Nc1nc(-c2cccs2)cs1)OC ZINC000299029884 532691478 /nfs/dbraw/zinc/69/14/78/532691478.db2.gz RKNUBEJOYCRUNW-UHFFFAOYSA-N 1 2 385.511 2.113 20 0 GEADLO COC(C[N@@H+](CCCO)CC(=O)Nc1nc(-c2cccs2)cs1)OC ZINC000299029884 532691483 /nfs/dbraw/zinc/69/14/83/532691483.db2.gz RKNUBEJOYCRUNW-UHFFFAOYSA-N 1 2 385.511 2.113 20 0 GEADLO CCOC(=O)C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000439457583 532693335 /nfs/dbraw/zinc/69/33/35/532693335.db2.gz BVJLWMMTCQFMKQ-CQSZACIVSA-N 1 2 390.249 2.355 20 0 GEADLO CCOC(=O)C[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000439457583 532693343 /nfs/dbraw/zinc/69/33/43/532693343.db2.gz BVJLWMMTCQFMKQ-CQSZACIVSA-N 1 2 390.249 2.355 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NCCS(=O)(=O)c1ccccc1)c1cccs1 ZINC000299073251 532693524 /nfs/dbraw/zinc/69/35/24/532693524.db2.gz XAESXKBLASUJQQ-HNNXBMFYSA-N 1 2 381.523 2.124 20 0 GEADLO O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CCN(CC(F)F)CC1 ZINC000439459494 532694230 /nfs/dbraw/zinc/69/42/30/532694230.db2.gz VXVJGKFWBSXBCG-ZDUSSCGKSA-N 1 2 397.235 2.211 20 0 GEADLO CC(C)N1C(=S)N=NC1CCNc1[nH+]cnc2c1c(Br)nn2C ZINC000265397252 532694951 /nfs/dbraw/zinc/69/49/51/532694951.db2.gz GTYYLMKZOONMRY-UHFFFAOYSA-N 1 2 397.306 2.242 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665318849 532695365 /nfs/dbraw/zinc/69/53/65/532695365.db2.gz FGBZYWZAYHLKFT-VXGBXAGGSA-N 1 2 391.269 2.383 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000569490272 532696946 /nfs/dbraw/zinc/69/69/46/532696946.db2.gz WTVHSXSPXPBBSN-VIFPVBQESA-N 1 2 383.258 2.228 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000569490272 532696949 /nfs/dbraw/zinc/69/69/49/532696949.db2.gz WTVHSXSPXPBBSN-VIFPVBQESA-N 1 2 383.258 2.228 20 0 GEADLO COC(=O)C[N@H+](CCN1CCOCC1)C[C@@H](C)c1cccc(Br)c1 ZINC000536674348 532698253 /nfs/dbraw/zinc/69/82/53/532698253.db2.gz NRMNJNOCVKVTEN-OAHLLOKOSA-N 1 2 399.329 2.360 20 0 GEADLO COC(=O)C[N@@H+](CCN1CCOCC1)C[C@@H](C)c1cccc(Br)c1 ZINC000536674348 532698260 /nfs/dbraw/zinc/69/82/60/532698260.db2.gz NRMNJNOCVKVTEN-OAHLLOKOSA-N 1 2 399.329 2.360 20 0 GEADLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@@H](C)c1cccc(Br)c1 ZINC000536674348 532698264 /nfs/dbraw/zinc/69/82/64/532698264.db2.gz NRMNJNOCVKVTEN-OAHLLOKOSA-N 1 2 399.329 2.360 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000569550083 532698714 /nfs/dbraw/zinc/69/87/14/532698714.db2.gz RFMFQIOMTPNZAP-OLZOCXBDSA-N 1 2 378.947 2.259 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000378629493 532700386 /nfs/dbraw/zinc/70/03/86/532700386.db2.gz VGJNKPGNKLUCCU-GFCCVEGCSA-N 1 2 391.269 2.398 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000666691114 532700579 /nfs/dbraw/zinc/70/05/79/532700579.db2.gz VXZVDANEAKSUHQ-JTQLQIEISA-N 1 2 380.246 2.282 20 0 GEADLO COc1ccc(NC(=O)C[NH+]2CCC3(CC2)SCC(=O)N3C)cc1Cl ZINC000378622177 532700692 /nfs/dbraw/zinc/70/06/92/532700692.db2.gz MUAODPUGZPDTRQ-UHFFFAOYSA-N 1 2 383.901 2.284 20 0 GEADLO Cc1cccc(C(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1Br ZINC000378263900 532687231 /nfs/dbraw/zinc/68/72/31/532687231.db2.gz BBEIWZYGTITWNZ-OAHLLOKOSA-N 1 2 394.313 2.184 20 0 GEADLO C[C@H](c1ccc(F)cc1)[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439279898 532687455 /nfs/dbraw/zinc/68/74/55/532687455.db2.gz BTWUOTRCWRGPIH-LLVKDONJSA-N 1 2 383.411 2.337 20 0 GEADLO Cc1cc(F)ccc1C[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439282968 532687775 /nfs/dbraw/zinc/68/77/75/532687775.db2.gz YTGYPFCQLFPKCK-UHFFFAOYSA-N 1 2 383.411 2.085 20 0 GEADLO O=S(=O)(NCC(F)(F)F)NC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000439276849 532687916 /nfs/dbraw/zinc/68/79/16/532687916.db2.gz VABDSRXCFNVZBA-UHFFFAOYSA-N 1 2 385.839 2.291 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000378267294 532688227 /nfs/dbraw/zinc/68/82/27/532688227.db2.gz KVWNNANLLQDMSC-NSHDSACASA-N 1 2 377.242 2.137 20 0 GEADLO O[C@@H](CNc1nc[nH+]c(NC[C@@H](O)C2CCC2)c1Br)C1CCC1 ZINC000663986934 532689185 /nfs/dbraw/zinc/68/91/85/532689185.db2.gz MLJHCLYJSFCXFP-BETUJISGSA-N 1 2 385.306 2.385 20 0 GEADLO O[C@@H](CNc1[nH+]cnc(NC[C@@H](O)C2CCC2)c1Br)C1CCC1 ZINC000663986934 532689189 /nfs/dbraw/zinc/68/91/89/532689189.db2.gz MLJHCLYJSFCXFP-BETUJISGSA-N 1 2 385.306 2.385 20 0 GEADLO O=C(c1c[nH]c2cccc(Br)c12)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000378311461 532689731 /nfs/dbraw/zinc/68/97/31/532689731.db2.gz DKOGTNDVJDBBNE-GFCCVEGCSA-N 1 2 378.270 2.477 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1Cl ZINC000486615262 532690816 /nfs/dbraw/zinc/69/08/16/532690816.db2.gz CNLQSQGZVLIYMV-OAHLLOKOSA-N 1 2 391.896 2.398 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1Cl ZINC000486615262 532690822 /nfs/dbraw/zinc/69/08/22/532690822.db2.gz CNLQSQGZVLIYMV-OAHLLOKOSA-N 1 2 391.896 2.398 20 0 GEADLO CC(C)[C@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCO1 ZINC000639212285 532691102 /nfs/dbraw/zinc/69/11/02/532691102.db2.gz CFOHZFSIONJBPK-CQSZACIVSA-N 1 2 391.331 2.343 20 0 GEADLO CC(C)[C@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCO1 ZINC000639212285 532691103 /nfs/dbraw/zinc/69/11/03/532691103.db2.gz CFOHZFSIONJBPK-CQSZACIVSA-N 1 2 391.331 2.343 20 0 GEADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(CCO)Cc1cccc(Br)c1 ZINC000489089452 532705253 /nfs/dbraw/zinc/70/52/53/532705253.db2.gz RACBPCOBESOHNX-AWEZNQCLSA-N 1 2 378.270 2.229 20 0 GEADLO C[C@H](CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)Cn1cc[nH+]c1 ZINC000669019887 532712755 /nfs/dbraw/zinc/71/27/55/532712755.db2.gz ZEBCAKBMIOBNMG-SECBINFHSA-N 1 2 378.230 2.294 20 0 GEADLO COC(=O)c1ccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)cn1 ZINC000492195592 532713232 /nfs/dbraw/zinc/71/32/32/532713232.db2.gz QPGJBFUJDIIUEQ-UHFFFAOYSA-N 1 2 389.209 2.208 20 0 GEADLO Cn1cnnc1C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000574576450 532714575 /nfs/dbraw/zinc/71/45/75/532714575.db2.gz FUVOEUFXBVRNJK-NSHDSACASA-N 1 2 379.180 2.420 20 0 GEADLO COCCN1C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)c(Br)s3)CC[C@@H]21 ZINC000495285667 532720602 /nfs/dbraw/zinc/72/06/02/532720602.db2.gz VXIYVGYEIUZBMF-OLZOCXBDSA-N 1 2 388.331 2.434 20 0 GEADLO COCCN1C(=O)N[C@@H]2C[N@H+](Cc3cc(C)c(Br)s3)CC[C@@H]21 ZINC000495285667 532720606 /nfs/dbraw/zinc/72/06/06/532720606.db2.gz VXIYVGYEIUZBMF-OLZOCXBDSA-N 1 2 388.331 2.434 20 0 GEADLO C[N@H+](CC(=O)NCCc1ccc(Cl)cc1)CC(=O)NCc1cccs1 ZINC000497371067 532722895 /nfs/dbraw/zinc/72/28/95/532722895.db2.gz PJZYVFVIJHFJDD-UHFFFAOYSA-N 1 2 379.913 2.308 20 0 GEADLO C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)CC(=O)NCc1cccs1 ZINC000497371067 532722901 /nfs/dbraw/zinc/72/29/01/532722901.db2.gz PJZYVFVIJHFJDD-UHFFFAOYSA-N 1 2 379.913 2.308 20 0 GEADLO O=C(NCCc1ccc(Cl)s1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000267045591 532732628 /nfs/dbraw/zinc/73/26/28/532732628.db2.gz FQQWSLUTKZGKLK-UHFFFAOYSA-N 1 2 383.905 2.294 20 0 GEADLO O=C(c1cn2ccc(Br)cc2n1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671646857 532723241 /nfs/dbraw/zinc/72/32/41/532723241.db2.gz CWUAGOQMJPLTDH-CQSZACIVSA-N 1 2 393.285 2.034 20 0 GEADLO CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2cc(C)c(C)s2)nc[nH+]1 ZINC000539114444 532723391 /nfs/dbraw/zinc/72/33/91/532723391.db2.gz JTKJCJRPQWUGOA-ZDUSSCGKSA-N 1 2 381.527 2.144 20 0 GEADLO CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2cc(C)c(C)s2)[nH+]cn1 ZINC000539114444 532723397 /nfs/dbraw/zinc/72/33/97/532723397.db2.gz JTKJCJRPQWUGOA-ZDUSSCGKSA-N 1 2 381.527 2.144 20 0 GEADLO CCC[C@H](NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)C(N)=O ZINC000576144782 532725430 /nfs/dbraw/zinc/72/54/30/532725430.db2.gz GYWUNUFKOWHLPN-GJZGRUSLSA-N 1 2 382.302 2.356 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000441744838 532726015 /nfs/dbraw/zinc/72/60/15/532726015.db2.gz QYZKLSGJOBBHBA-QMMMGPOBSA-N 1 2 387.184 2.067 20 0 GEADLO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000499761274 532726887 /nfs/dbraw/zinc/72/68/87/532726887.db2.gz SBRIPOHMTBIEAM-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@@]12CCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)C[C@@H]1C2(Cl)Cl ZINC000286090382 532726909 /nfs/dbraw/zinc/72/69/09/532726909.db2.gz FFBAHQYKUCWXPX-WMLDXEAASA-N 1 2 383.323 2.246 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCN(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000499794427 532727431 /nfs/dbraw/zinc/72/74/31/532727431.db2.gz IYDSDZSDEHLXHP-AWEZNQCLSA-N 1 2 394.317 2.182 20 0 GEADLO C[C@H]1COCC[N@H+]1CCN(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000499794427 532727436 /nfs/dbraw/zinc/72/74/36/532727436.db2.gz IYDSDZSDEHLXHP-AWEZNQCLSA-N 1 2 394.317 2.182 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC(=O)Nc1ccccc1Br ZINC000286144441 532730878 /nfs/dbraw/zinc/73/08/78/532730878.db2.gz VRJWSNGYGNBUIS-KGLIPLIRSA-N 1 2 382.302 2.183 20 0 GEADLO C[C@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)Oc1ccccc1Br ZINC000500048719 532732006 /nfs/dbraw/zinc/73/20/06/532732006.db2.gz LXTVJVIHNPRUHH-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000285923749 532718830 /nfs/dbraw/zinc/71/88/30/532718830.db2.gz TUOSXRLTCQOWFG-OCCSQVGLSA-N 1 2 385.277 2.452 20 0 GEADLO O=C(NCc1ccccc1Br)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000670851763 532719752 /nfs/dbraw/zinc/71/97/52/532719752.db2.gz IGCVWVVRUJPKJK-AWEZNQCLSA-N 1 2 391.269 2.126 20 0 GEADLO O=C(c1cn2ccc(Br)cc2n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000504572094 532748005 /nfs/dbraw/zinc/74/80/05/532748005.db2.gz DLFHIPJCXXVILM-UHFFFAOYSA-N 1 2 386.253 2.454 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(c3ncc(S(N)(=O)=O)s3)CC2)cc1 ZINC000301136972 532742443 /nfs/dbraw/zinc/74/24/43/532742443.db2.gz BAKVPKVOUBHWCV-UHFFFAOYSA-N 1 2 380.539 2.236 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCCC(=O)NCc1ccccc1 ZINC000301179025 532743586 /nfs/dbraw/zinc/74/35/86/532743586.db2.gz YLLQKHXMARFGMU-UHFFFAOYSA-N 1 2 389.257 2.244 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000410910536 532743779 /nfs/dbraw/zinc/74/37/79/532743779.db2.gz AUYDMZKHHPCVDG-OAHLLOKOSA-N 1 2 398.276 2.026 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000614606739 532743854 /nfs/dbraw/zinc/74/38/54/532743854.db2.gz UOIKBKCUWUNBND-CABCVRRESA-N 1 2 388.555 2.021 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000614606739 532743855 /nfs/dbraw/zinc/74/38/55/532743855.db2.gz UOIKBKCUWUNBND-CABCVRRESA-N 1 2 388.555 2.021 20 0 GEADLO Cc1cc(N2CCN(S(=O)(=O)c3cccc4c3N=S=N4)CC2)nc[nH+]1 ZINC000301245670 532746296 /nfs/dbraw/zinc/74/62/96/532746296.db2.gz NXMCRKHEJROLNF-UHFFFAOYSA-N 1 2 376.467 2.022 20 0 GEADLO O=C(CNc1ccccc1Cl)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615098224 532746582 /nfs/dbraw/zinc/74/65/82/532746582.db2.gz MZZZPJOSCRCYIJ-OAHLLOKOSA-N 1 2 383.945 2.418 20 0 GEADLO CC[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000267610502 532746835 /nfs/dbraw/zinc/74/68/35/532746835.db2.gz OAOQOQOAYKRWFY-OLZOCXBDSA-N 1 2 375.922 2.187 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)S(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000580452725 532747646 /nfs/dbraw/zinc/74/76/46/532747646.db2.gz FMQDXAKPUJNHSN-UHFFFAOYSA-N 1 2 385.902 2.223 20 0 GEADLO CN1CCC[C@@H]([NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1=O ZINC000539802706 532733274 /nfs/dbraw/zinc/73/32/74/532733274.db2.gz JHTUJLNOWFPQEI-CYBMUJFWSA-N 1 2 376.810 2.497 20 0 GEADLO C[NH+](C)CC(=O)Nc1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000267141097 532733565 /nfs/dbraw/zinc/73/35/65/532733565.db2.gz QGLZRGDAMYZWFA-UHFFFAOYSA-N 1 2 383.524 2.058 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000267140698 532733821 /nfs/dbraw/zinc/73/38/21/532733821.db2.gz XUYPDQJISBNWJA-NSHDSACASA-N 1 2 377.242 2.150 20 0 GEADLO C[C@H](Cc1cccs1)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000301074723 532738219 /nfs/dbraw/zinc/73/82/19/532738219.db2.gz GOUUTQNLEQNZFL-CQSZACIVSA-N 1 2 380.539 2.122 20 0 GEADLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000674902302 532738529 /nfs/dbraw/zinc/73/85/29/532738529.db2.gz BEMLXDQJTCOLEC-UHFFFAOYSA-N 1 2 376.469 2.476 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000674891237 532738544 /nfs/dbraw/zinc/73/85/44/532738544.db2.gz SKMKRCIXDKPROH-DGCLKSJQSA-N 1 2 382.511 2.237 20 0 GEADLO C[C@H](CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)c1ccc(Br)cc1 ZINC000614508775 532739445 /nfs/dbraw/zinc/73/94/45/532739445.db2.gz YIHLOVCVULJMSO-PBHICJAKSA-N 1 2 380.330 2.449 20 0 GEADLO C[C@H](CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)c1ccc(Br)cc1 ZINC000614508775 532739447 /nfs/dbraw/zinc/73/94/47/532739447.db2.gz YIHLOVCVULJMSO-PBHICJAKSA-N 1 2 380.330 2.449 20 0 GEADLO CO[C@H](C)c1nc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000267339388 532739841 /nfs/dbraw/zinc/73/98/41/532739841.db2.gz CAFSNQMDWPGLFM-GFCCVEGCSA-N 1 2 385.511 2.009 20 0 GEADLO CO[C@H](C)c1nc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000267339388 532739847 /nfs/dbraw/zinc/73/98/47/532739847.db2.gz CAFSNQMDWPGLFM-GFCCVEGCSA-N 1 2 385.511 2.009 20 0 GEADLO C[C@H]1C[C@@H](CCNS(=O)(=O)NCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000443025291 532740943 /nfs/dbraw/zinc/74/09/43/532740943.db2.gz LZWZBPLXEZZCPK-DZGCQCFKSA-N 1 2 379.448 2.273 20 0 GEADLO C[C@H]1C[C@@H](CCNS(=O)(=O)NCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000443025291 532740944 /nfs/dbraw/zinc/74/09/44/532740944.db2.gz LZWZBPLXEZZCPK-DZGCQCFKSA-N 1 2 379.448 2.273 20 0 GEADLO Cc1nc(N)c(CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)c[nH+]1 ZINC000579527696 532741341 /nfs/dbraw/zinc/74/13/41/532741341.db2.gz KYOZTCMSWBBUDF-UHFFFAOYSA-N 1 2 388.225 2.314 20 0 GEADLO CSc1ccc([C@H](CNC(=O)C(C)(C)S(=O)(=O)C2CC2)[NH+](C)C)cc1 ZINC000581391980 532755538 /nfs/dbraw/zinc/75/55/38/532755538.db2.gz CNXQUQNFEYLPIU-INIZCTEOSA-N 1 2 384.567 2.483 20 0 GEADLO Nc1c(-n2cccn2)ncnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000301670361 532758084 /nfs/dbraw/zinc/75/80/84/532758084.db2.gz FBEDCULGDYTFIB-UHFFFAOYSA-N 1 2 375.889 2.282 20 0 GEADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCN3CCOC[C@H]3C2)ccc1Br ZINC000541700177 532758120 /nfs/dbraw/zinc/75/81/20/532758120.db2.gz JIKFUAUQBTWKLW-UKRRQHHQSA-N 1 2 382.302 2.101 20 0 GEADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCN3CCOC[C@H]3C2)ccc1Br ZINC000541700177 532758124 /nfs/dbraw/zinc/75/81/24/532758124.db2.gz JIKFUAUQBTWKLW-UKRRQHHQSA-N 1 2 382.302 2.101 20 0 GEADLO CCc1cc(N)nc(SCCOCCSc2nc(N)cc(CC)[nH+]2)n1 ZINC000447783487 532758174 /nfs/dbraw/zinc/75/81/74/532758174.db2.gz QXJVYBZEGSYXDR-UHFFFAOYSA-N 1 2 380.543 2.118 20 0 GEADLO COc1cnc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)s1 ZINC000411367520 532758343 /nfs/dbraw/zinc/75/83/43/532758343.db2.gz LQXSLZCBHJLLIS-NSHDSACASA-N 1 2 380.495 2.057 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)ncc1Cl ZINC000286651214 532760075 /nfs/dbraw/zinc/76/00/75/532760075.db2.gz DQPUKRPCFFBNGC-GHMZBOCLSA-N 1 2 388.693 2.433 20 0 GEADLO CC(C)(C)N1C[C@@H]([NH2+]Cc2ncc(I)s2)CC1=O ZINC000286661912 532760857 /nfs/dbraw/zinc/76/08/57/532760857.db2.gz UPNGWSXONHAOMN-QMMMGPOBSA-N 1 2 379.267 2.237 20 0 GEADLO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4nnnn4-c4ccccc4Br)[C@H]1[C@H]3C2 ZINC000286685709 532761472 /nfs/dbraw/zinc/76/14/72/532761472.db2.gz VSNCDYYKJJXTOY-UKTVDESPSA-N 1 2 390.285 2.280 20 0 GEADLO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4nnnn4-c4ccccc4Br)[C@H]1[C@H]3C2 ZINC000286685709 532761474 /nfs/dbraw/zinc/76/14/74/532761474.db2.gz VSNCDYYKJJXTOY-UKTVDESPSA-N 1 2 390.285 2.280 20 0 GEADLO O=S1(=O)CCC(O)(Cn2cc[nH+]c2-c2cccc(Br)c2)CC1 ZINC000504530742 532748149 /nfs/dbraw/zinc/74/81/49/532748149.db2.gz ZQKSBCMLFHSSJI-UHFFFAOYSA-N 1 2 385.283 2.252 20 0 GEADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)NC[C@H]1CSCCS1 ZINC000267817979 532750274 /nfs/dbraw/zinc/75/02/74/532750274.db2.gz GFGZUXVJQPQWDY-KRWDZBQOSA-N 1 2 381.567 2.167 20 0 GEADLO O[C@H](CN1CC2(CCC2)c2cc(Br)ccc21)C[NH+]1CCOCC1 ZINC000444738639 532750420 /nfs/dbraw/zinc/75/04/20/532750420.db2.gz ZAQAAAYYHJCQAR-HNNXBMFYSA-N 1 2 381.314 2.384 20 0 GEADLO COC(=O)c1cc(C[N@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)cs1 ZINC000411294613 532753865 /nfs/dbraw/zinc/75/38/65/532753865.db2.gz IKLVVUABXBNHFK-UHFFFAOYSA-N 1 2 382.507 2.253 20 0 GEADLO COC(=O)c1cc(C[N@@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)cs1 ZINC000411294613 532753869 /nfs/dbraw/zinc/75/38/69/532753869.db2.gz IKLVVUABXBNHFK-UHFFFAOYSA-N 1 2 382.507 2.253 20 0 GEADLO C[N@@H+]1CC[C@@H](Nc2ncc(S(N)(=O)=O)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302819127 532774902 /nfs/dbraw/zinc/77/49/02/532774902.db2.gz JFBBUKJIFIFGHT-YPMHNXCESA-N 1 2 390.893 2.440 20 0 GEADLO C[N@H+]1CC[C@@H](Nc2ncc(S(N)(=O)=O)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302819127 532774904 /nfs/dbraw/zinc/77/49/04/532774904.db2.gz JFBBUKJIFIFGHT-YPMHNXCESA-N 1 2 390.893 2.440 20 0 GEADLO Cn1ncc2c1nc(NCc1cc3c(c(Br)c1)OCO3)[nH+]c2N ZINC000302885120 532775543 /nfs/dbraw/zinc/77/55/43/532775543.db2.gz MEPIXPOJTOTPID-UHFFFAOYSA-N 1 2 377.202 2.049 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)NCCc1cn2ccccc2[nH+]1 ZINC000286943431 532776568 /nfs/dbraw/zinc/77/65/68/532776568.db2.gz CLUFIRJJUVQDIC-UHFFFAOYSA-N 1 2 391.273 2.225 20 0 GEADLO C[C@@H](CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccc(Br)cc1 ZINC000269247527 532777747 /nfs/dbraw/zinc/77/77/47/532777747.db2.gz CHCYHXCSFLBDGJ-ZDUSSCGKSA-N 1 2 396.329 2.351 20 0 GEADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC(=O)N1CCOCC1 ZINC000508678013 532763678 /nfs/dbraw/zinc/76/36/78/532763678.db2.gz PDLNDBQMEXREDY-INIZCTEOSA-N 1 2 389.279 2.388 20 0 GEADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000508678013 532763681 /nfs/dbraw/zinc/76/36/81/532763681.db2.gz PDLNDBQMEXREDY-INIZCTEOSA-N 1 2 389.279 2.388 20 0 GEADLO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCc2c[nH+]ccc2OC)c1 ZINC000451583738 532765198 /nfs/dbraw/zinc/76/51/98/532765198.db2.gz ZYYYEGSCFVJMEH-UHFFFAOYSA-N 1 2 384.841 2.317 20 0 GEADLO Cc1cc(N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ncc1Br ZINC000542123733 532765317 /nfs/dbraw/zinc/76/53/17/532765317.db2.gz VZLDOKJNGTYOIY-ZDUSSCGKSA-N 1 2 378.274 2.489 20 0 GEADLO Cc1nc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2c([nH+]1)CCCC2 ZINC000302056154 532766060 /nfs/dbraw/zinc/76/60/60/532766060.db2.gz AGGPAHAGAJTMTI-UHFFFAOYSA-N 1 2 378.420 2.390 20 0 GEADLO O=C(NCCc1c[nH]c2ccc(Br)cc12)NCC[NH+]1CCOCC1 ZINC000542189344 532766729 /nfs/dbraw/zinc/76/67/29/532766729.db2.gz KAGMIEFJUVWMKN-UHFFFAOYSA-N 1 2 395.301 2.104 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000542249588 532767726 /nfs/dbraw/zinc/76/77/26/532767726.db2.gz UBYCTHQNDBPWOB-HZPDHXFCSA-N 1 2 387.933 2.209 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000542249590 532768088 /nfs/dbraw/zinc/76/80/88/532768088.db2.gz UBYCTHQNDBPWOB-JKSUJKDBSA-N 1 2 387.933 2.209 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000509413529 532768107 /nfs/dbraw/zinc/76/81/07/532768107.db2.gz CTWMKNRFBNLIGY-STQMWFEESA-N 1 2 375.332 2.247 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000509413529 532768112 /nfs/dbraw/zinc/76/81/12/532768112.db2.gz CTWMKNRFBNLIGY-STQMWFEESA-N 1 2 375.332 2.247 20 0 GEADLO COCc1cnc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000509400572 532768764 /nfs/dbraw/zinc/76/87/64/532768764.db2.gz FHEMYWHFDOXSMW-UHFFFAOYSA-N 1 2 393.893 2.150 20 0 GEADLO COCC[C@@H](CO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000302311975 532769944 /nfs/dbraw/zinc/76/99/44/532769944.db2.gz OXQCRLXPIKZNMJ-VIFPVBQESA-N 1 2 383.080 2.404 20 0 GEADLO C[C@@H](C[NH+]1CCCCCC1)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000302460395 532770437 /nfs/dbraw/zinc/77/04/37/532770437.db2.gz VDSUFZGMLCGSIB-AWEZNQCLSA-N 1 2 388.555 2.170 20 0 GEADLO CC(C)n1cc(C[NH2+]CC(=O)Nc2ccc(I)cc2)nn1 ZINC000588927243 532772030 /nfs/dbraw/zinc/77/20/30/532772030.db2.gz KMLMIONPLUEASJ-UHFFFAOYSA-N 1 2 399.236 2.192 20 0 GEADLO C[C@H](CNC(=O)CCc1ccc(Br)cc1F)[NH+]1CCN(C)CC1 ZINC000588935511 532772663 /nfs/dbraw/zinc/77/26/63/532772663.db2.gz OKKWPTQRYUKWCY-CYBMUJFWSA-N 1 2 386.309 2.273 20 0 GEADLO Cc1cnn(CC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC000544711664 532782832 /nfs/dbraw/zinc/78/28/32/532782832.db2.gz FLBDYLJNXHONNX-UHFFFAOYSA-N 1 2 376.258 2.269 20 0 GEADLO C[C@H]1CN(Cc2csc(CS(C)(=O)=O)n2)CC[N@@H+]1Cc1ccccc1 ZINC000411988765 532782842 /nfs/dbraw/zinc/78/28/42/532782842.db2.gz WAVFVFXCIPSUBT-HNNXBMFYSA-N 1 2 379.551 2.394 20 0 GEADLO C[C@H]1CN(Cc2csc(CS(C)(=O)=O)n2)CC[N@H+]1Cc1ccccc1 ZINC000411988765 532782844 /nfs/dbraw/zinc/78/28/44/532782844.db2.gz WAVFVFXCIPSUBT-HNNXBMFYSA-N 1 2 379.551 2.394 20 0 GEADLO CNC(=O)NC1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000412056518 532784059 /nfs/dbraw/zinc/78/40/59/532784059.db2.gz TULXHFLWUXDNHK-UHFFFAOYSA-N 1 2 379.511 2.204 20 0 GEADLO Cn1nnc2cc(C[N@H+](C)[C@@H](C(N)=O)c3cccc(Br)c3)ccc21 ZINC000545948783 532784955 /nfs/dbraw/zinc/78/49/55/532784955.db2.gz KOPKQCUTRNMJHD-MRXNPFEDSA-N 1 2 388.269 2.389 20 0 GEADLO Cn1nnc2cc(C[N@@H+](C)[C@@H](C(N)=O)c3cccc(Br)c3)ccc21 ZINC000545948783 532784957 /nfs/dbraw/zinc/78/49/57/532784957.db2.gz KOPKQCUTRNMJHD-MRXNPFEDSA-N 1 2 388.269 2.389 20 0 GEADLO CCCCCc1nnc(NC(=O)C[N@@H+]2CCSC[C@@H](C(=O)OC)C2)s1 ZINC000412090194 532785750 /nfs/dbraw/zinc/78/57/50/532785750.db2.gz YAIHNGQNTPHCSB-LBPRGKRZSA-N 1 2 386.543 2.047 20 0 GEADLO CCCCCc1nnc(NC(=O)C[N@H+]2CCSC[C@@H](C(=O)OC)C2)s1 ZINC000412090194 532785754 /nfs/dbraw/zinc/78/57/54/532785754.db2.gz YAIHNGQNTPHCSB-LBPRGKRZSA-N 1 2 386.543 2.047 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)COC[C@@H]3CCOC3)[nH+]c12 ZINC000546823020 532786035 /nfs/dbraw/zinc/78/60/35/532786035.db2.gz GVVWNODRISXYIP-GFCCVEGCSA-N 1 2 382.258 2.075 20 0 GEADLO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457103983 532786132 /nfs/dbraw/zinc/78/61/32/532786132.db2.gz CNJGADLTVLOABY-OLZOCXBDSA-N 1 2 387.343 2.455 20 0 GEADLO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457103983 532786144 /nfs/dbraw/zinc/78/61/44/532786144.db2.gz CNJGADLTVLOABY-OLZOCXBDSA-N 1 2 387.343 2.455 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2sc(C)cc2Br)C1 ZINC000412363419 532788846 /nfs/dbraw/zinc/78/88/46/532788846.db2.gz WCWBSUYFPXBIIE-LLVKDONJSA-N 1 2 389.315 2.434 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2sc(C)cc2Br)C1 ZINC000412363419 532788849 /nfs/dbraw/zinc/78/88/49/532788849.db2.gz WCWBSUYFPXBIIE-LLVKDONJSA-N 1 2 389.315 2.434 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cnc(-c3ccsc3)s2)CC1 ZINC000412434067 532792161 /nfs/dbraw/zinc/79/21/61/532792161.db2.gz GCCYXZIHOLHUIS-UHFFFAOYSA-N 1 2 381.523 2.291 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(Br)ccc2C)CC1 ZINC000412438243 532792696 /nfs/dbraw/zinc/79/26/96/532792696.db2.gz SQVABSLXZQOYNN-UHFFFAOYSA-N 1 2 385.302 2.177 20 0 GEADLO CCC[C@H](O)[C@@H](CO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000412522267 532794122 /nfs/dbraw/zinc/79/41/22/532794122.db2.gz JKOFQGKDJFAOSB-IKGGRYGDSA-N 1 2 399.329 2.224 20 0 GEADLO O=C([C@H]1COc2ccc(Br)cc21)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000328664658 532794862 /nfs/dbraw/zinc/79/48/62/532794862.db2.gz YQCDHPDIVWVLCY-JKSUJKDBSA-N 1 2 388.265 2.493 20 0 GEADLO NC(=O)Cn1cc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2Br)nn1 ZINC000459574025 532796470 /nfs/dbraw/zinc/79/64/70/532796470.db2.gz SLMBAJIAMCNZPU-OAHLLOKOSA-N 1 2 392.301 2.123 20 0 GEADLO NC(=O)Cn1cc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2Br)nn1 ZINC000459574025 532796473 /nfs/dbraw/zinc/79/64/73/532796473.db2.gz SLMBAJIAMCNZPU-OAHLLOKOSA-N 1 2 392.301 2.123 20 0 GEADLO O=S(=O)(CC1CCC1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000329283388 532805011 /nfs/dbraw/zinc/80/50/11/532805011.db2.gz LDYBZKUFEVOVPH-UHFFFAOYSA-N 1 2 382.917 2.235 20 0 GEADLO Nc1nsc(N2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)n1 ZINC000271235883 532805672 /nfs/dbraw/zinc/80/56/72/532805672.db2.gz DLOULLVTQZBPGY-UHFFFAOYSA-N 1 2 375.889 2.486 20 0 GEADLO CC[C@H](O)CSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000412991766 532805752 /nfs/dbraw/zinc/80/57/52/532805752.db2.gz KNJHDIOUFFRCPU-ZDUSSCGKSA-N 1 2 383.539 2.043 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000554903154 532805786 /nfs/dbraw/zinc/80/57/86/532805786.db2.gz ZFMBJEROQJKDEW-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000554903154 532805792 /nfs/dbraw/zinc/80/57/92/532805792.db2.gz ZFMBJEROQJKDEW-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO C[NH+](C)[C@H](CNS(=O)(=O)CCOCC(F)(F)F)c1ccccc1Cl ZINC000554897510 532805908 /nfs/dbraw/zinc/80/59/08/532805908.db2.gz XBZSEOCOYOJABM-CYBMUJFWSA-N 1 2 388.839 2.441 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000413109107 532806756 /nfs/dbraw/zinc/80/67/56/532806756.db2.gz FOPXKGCZQNHUDZ-UHFFFAOYSA-N 1 2 390.315 2.210 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000554968129 532806766 /nfs/dbraw/zinc/80/67/66/532806766.db2.gz LQSGHZUXXOJUDZ-KBPBESRZSA-N 1 2 390.933 2.264 20 0 GEADLO C[C@H](CNC(=O)c1cnc(C2OCCO2)s1)[N@@H+]1CCc2sccc2C1 ZINC000287742206 532808392 /nfs/dbraw/zinc/80/83/92/532808392.db2.gz WKYVITGRZUYBCL-LLVKDONJSA-N 1 2 379.507 2.427 20 0 GEADLO C[C@H](CNC(=O)c1cnc(C2OCCO2)s1)[N@H+]1CCc2sccc2C1 ZINC000287742206 532808397 /nfs/dbraw/zinc/80/83/97/532808397.db2.gz WKYVITGRZUYBCL-LLVKDONJSA-N 1 2 379.507 2.427 20 0 GEADLO C[C@@H](O)CNc1cc(N[C@@H](CO)c2ccc(Br)c(F)c2)nc[nH+]1 ZINC000413295240 532809163 /nfs/dbraw/zinc/80/91/63/532809163.db2.gz BWIKPOCYIFUDGB-RNCFNFMXSA-N 1 2 385.237 2.316 20 0 GEADLO C[C@@H](O)CNc1cc(N[C@@H](CO)c2ccc(Br)c(F)c2)[nH+]cn1 ZINC000413295240 532809166 /nfs/dbraw/zinc/80/91/66/532809166.db2.gz BWIKPOCYIFUDGB-RNCFNFMXSA-N 1 2 385.237 2.316 20 0 GEADLO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CCn2cc[nH+]c2C1 ZINC000329691445 532809674 /nfs/dbraw/zinc/80/96/74/532809674.db2.gz BXDITRVVNSNULT-GFCCVEGCSA-N 1 2 389.253 2.041 20 0 GEADLO CN(CC1CC1)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328810765 532797614 /nfs/dbraw/zinc/79/76/14/532797614.db2.gz FETKGHBIUJZPPO-CVEARBPZSA-N 1 2 375.897 2.401 20 0 GEADLO CN(CC1CC1)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328810765 532797617 /nfs/dbraw/zinc/79/76/17/532797617.db2.gz FETKGHBIUJZPPO-CVEARBPZSA-N 1 2 375.897 2.401 20 0 GEADLO COCC1(O)CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000270403571 532797741 /nfs/dbraw/zinc/79/77/41/532797741.db2.gz VTUKBIJRANEKNW-UHFFFAOYSA-N 1 2 396.285 2.396 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CSc1nc2ccccc2s1 ZINC000270537674 532799547 /nfs/dbraw/zinc/79/95/47/532799547.db2.gz WQJHMRYVKFPNKJ-LBPRGKRZSA-N 1 2 376.463 2.012 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CSc1nc2ccccc2s1 ZINC000270537674 532799550 /nfs/dbraw/zinc/79/95/50/532799550.db2.gz WQJHMRYVKFPNKJ-LBPRGKRZSA-N 1 2 376.463 2.012 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000270815772 532801789 /nfs/dbraw/zinc/80/17/89/532801789.db2.gz XPTMMTZNEJMTHE-INIZCTEOSA-N 1 2 378.270 2.386 20 0 GEADLO CC(C)CN1C[C@@H](C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC1=O ZINC000556682893 532812337 /nfs/dbraw/zinc/81/23/37/532812337.db2.gz HZSBWWJHESYXAT-NSHDSACASA-N 1 2 383.290 2.353 20 0 GEADLO Cc1c(NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)cnn1C ZINC000556668998 532811646 /nfs/dbraw/zinc/81/16/46/532811646.db2.gz KMCAMIJQVDLRIN-UHFFFAOYSA-N 1 2 395.261 2.367 20 0 GEADLO O=S1(=O)CCC[C@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000271796567 532812306 /nfs/dbraw/zinc/81/23/06/532812306.db2.gz JICDKVDXPLDDHU-VIFPVBQESA-N 1 2 382.795 2.068 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)[NH+]1CCSCC1 ZINC000414032722 532817665 /nfs/dbraw/zinc/81/76/65/532817665.db2.gz JNLHROCGLIHEOC-ZDUSSCGKSA-N 1 2 385.555 2.139 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000330422656 532817987 /nfs/dbraw/zinc/81/79/87/532817987.db2.gz QRLWUNGYUZGKGT-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000330422656 532817988 /nfs/dbraw/zinc/81/79/88/532817988.db2.gz QRLWUNGYUZGKGT-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2cnc3ccsc3c2)C1 ZINC000330257606 532816221 /nfs/dbraw/zinc/81/62/21/532816221.db2.gz LRKLJCDUCTZEAE-CQSZACIVSA-N 1 2 381.523 2.028 20 0 GEADLO C[N@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2cnc3ccsc3c2)C1 ZINC000330257606 532816224 /nfs/dbraw/zinc/81/62/24/532816224.db2.gz LRKLJCDUCTZEAE-CQSZACIVSA-N 1 2 381.523 2.028 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413962347 532816383 /nfs/dbraw/zinc/81/63/83/532816383.db2.gz VHBBVXOBZKIQNP-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)NCCC(C)(C)S(C)(=O)=O)cn2c1 ZINC000414006285 532816747 /nfs/dbraw/zinc/81/67/47/532816747.db2.gz PIQBVLOGCBXEBK-UHFFFAOYSA-N 1 2 383.539 2.205 20 0 GEADLO CN(C(=O)c1cc(Br)c(F)cc1O)C(C)(C)C[NH+]1CCOCC1 ZINC000414045690 532818382 /nfs/dbraw/zinc/81/83/82/532818382.db2.gz XQQWHDSMGKKVOJ-UHFFFAOYSA-N 1 2 389.265 2.477 20 0 GEADLO Brc1cnn(CCCNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000288188321 532820461 /nfs/dbraw/zinc/82/04/61/532820461.db2.gz JQRTUUKGVPTJLZ-UHFFFAOYSA-N 1 2 383.319 2.491 20 0 GEADLO Brc1cnn(CCCNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000288188321 532820464 /nfs/dbraw/zinc/82/04/64/532820464.db2.gz JQRTUUKGVPTJLZ-UHFFFAOYSA-N 1 2 383.319 2.491 20 0 GEADLO CCOC(=O)C1(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)CC1 ZINC000273258968 532821575 /nfs/dbraw/zinc/82/15/75/532821575.db2.gz HUVCDYKOFUYRTH-UHFFFAOYSA-N 1 2 394.269 2.407 20 0 GEADLO Cc1c(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)cnn1C ZINC000273290347 532822378 /nfs/dbraw/zinc/82/23/78/532822378.db2.gz MKZCLRFGTJLMHV-UHFFFAOYSA-N 1 2 376.258 2.420 20 0 GEADLO NS(=O)(=O)c1ccc(CNc2cc(CSCCO)cc[nH+]2)cc1Cl ZINC000414371002 532822653 /nfs/dbraw/zinc/82/26/53/532822653.db2.gz XKTFBVCVJZQHTF-UHFFFAOYSA-N 1 2 387.914 2.220 20 0 GEADLO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCCS1(=O)=O ZINC000273310421 532822896 /nfs/dbraw/zinc/82/28/96/532822896.db2.gz WKEBIHRKRNNKEQ-KRWDZBQOSA-N 1 2 384.929 2.388 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@H]3CO)[nH+]c12 ZINC000273416969 532823442 /nfs/dbraw/zinc/82/34/42/532823442.db2.gz FWDUZGRPKYQHJJ-AWEZNQCLSA-N 1 2 381.274 2.114 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2nc3cc(Cl)ccc3s2)CC1 ZINC000414401336 532824825 /nfs/dbraw/zinc/82/48/25/532824825.db2.gz NRSGKJFLVJVBDH-UHFFFAOYSA-N 1 2 383.901 2.369 20 0 GEADLO CCS(=O)(=O)CCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000414421342 532826101 /nfs/dbraw/zinc/82/61/01/532826101.db2.gz ZFKCPYPDIIUCBT-CYBMUJFWSA-N 1 2 388.559 2.321 20 0 GEADLO CCS(=O)(=O)CCCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000414421342 532826102 /nfs/dbraw/zinc/82/61/02/532826102.db2.gz ZFKCPYPDIIUCBT-CYBMUJFWSA-N 1 2 388.559 2.321 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414386199 532823989 /nfs/dbraw/zinc/82/39/89/532823989.db2.gz GVQMEJSPOMFLBJ-UHFFFAOYSA-N 1 2 376.425 2.254 20 0 GEADLO CC[C@](C)(O)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273577424 532827210 /nfs/dbraw/zinc/82/72/10/532827210.db2.gz NCFIDBFPWLIXLO-INIZCTEOSA-N 1 2 383.290 2.408 20 0 GEADLO Cc1cc(Br)cn2cc(CNS(=O)(=O)C[C@H]3CCCO3)[nH+]c12 ZINC000273616505 532828512 /nfs/dbraw/zinc/82/85/12/532828512.db2.gz PTPYSNOWGQVAGW-CYBMUJFWSA-N 1 2 388.287 2.004 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cc(F)ccc1Br)Cn1cc[nH+]c1 ZINC000414468233 532829679 /nfs/dbraw/zinc/82/96/79/532829679.db2.gz KCAJGZGFXLGAMA-JTQLQIEISA-N 1 2 376.251 2.399 20 0 GEADLO Cc1nn(C)cc1S(=O)(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000288557701 532831524 /nfs/dbraw/zinc/83/15/24/532831524.db2.gz JLYNYUBWAQNXJU-UHFFFAOYSA-N 1 2 380.539 2.387 20 0 GEADLO CNC(=O)NC1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000414539398 532831885 /nfs/dbraw/zinc/83/18/85/532831885.db2.gz DFLLIMGNVXXZFA-UHFFFAOYSA-N 1 2 384.274 2.114 20 0 GEADLO CCOc1cc(C[NH+]2CCC(NC(=O)NC)CC2)cc(Br)c1O ZINC000414540559 532832088 /nfs/dbraw/zinc/83/20/88/532832088.db2.gz GVXRSUOYJAEEDI-UHFFFAOYSA-N 1 2 386.290 2.447 20 0 GEADLO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2cccc(F)c2S(C)(=O)=O)cc1 ZINC000414484659 532831214 /nfs/dbraw/zinc/83/12/14/532831214.db2.gz OKNLBBKNPPZSPJ-UHFFFAOYSA-N 1 2 386.470 2.092 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCc3cnn(C)c3)[nH+]c12 ZINC000273800250 532834656 /nfs/dbraw/zinc/83/46/56/532834656.db2.gz CNINNPKJJUOJOS-UHFFFAOYSA-N 1 2 377.246 2.138 20 0 GEADLO Ic1cncc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)c1 ZINC000273785381 532834017 /nfs/dbraw/zinc/83/40/17/532834017.db2.gz GDPILSFANPSLPX-GFCCVEGCSA-N 1 2 398.204 2.272 20 0 GEADLO Ic1cncc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)c1 ZINC000273785381 532834018 /nfs/dbraw/zinc/83/40/18/532834018.db2.gz GDPILSFANPSLPX-GFCCVEGCSA-N 1 2 398.204 2.272 20 0 GEADLO COc1cc(C)c(S(=O)(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1Cl ZINC000331190226 532835703 /nfs/dbraw/zinc/83/57/03/532835703.db2.gz LAKIJQBNKSHYEG-OAHLLOKOSA-N 1 2 390.933 2.292 20 0 GEADLO Cc1cc(CN2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)sc1Br ZINC000331225818 532836005 /nfs/dbraw/zinc/83/60/05/532836005.db2.gz FEXBFTMRVAKXEH-NSHDSACASA-N 1 2 376.320 2.487 20 0 GEADLO Cc1cc(CN2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)sc1Br ZINC000331225818 532836006 /nfs/dbraw/zinc/83/60/06/532836006.db2.gz FEXBFTMRVAKXEH-NSHDSACASA-N 1 2 376.320 2.487 20 0 GEADLO COCCOCC[N@@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000288743737 532837002 /nfs/dbraw/zinc/83/70/02/532837002.db2.gz FWTZCRRSDDTDJS-UHFFFAOYSA-N 1 2 381.217 2.261 20 0 GEADLO COCCOCC[N@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000288743737 532836999 /nfs/dbraw/zinc/83/69/99/532836999.db2.gz FWTZCRRSDDTDJS-UHFFFAOYSA-N 1 2 381.217 2.261 20 0 GEADLO Brc1cnc2c(-c3nc([C@H]4C[N@H+](C5CC5)CCO4)no3)nccn12 ZINC000273988015 532838761 /nfs/dbraw/zinc/83/87/61/532838761.db2.gz WYAQIXUDVUKNKT-SNVBAGLBSA-N 1 2 391.229 2.078 20 0 GEADLO Brc1cnc2c(-c3nc([C@H]4C[N@@H+](C5CC5)CCO4)no3)nccn12 ZINC000273988015 532838758 /nfs/dbraw/zinc/83/87/58/532838758.db2.gz WYAQIXUDVUKNKT-SNVBAGLBSA-N 1 2 391.229 2.078 20 0 GEADLO Brc1cnc2c(-c3nc([C@@H]4C[N@@H+](C5CC5)CCO4)no3)nccn12 ZINC000273988012 532838794 /nfs/dbraw/zinc/83/87/94/532838794.db2.gz WYAQIXUDVUKNKT-JTQLQIEISA-N 1 2 391.229 2.078 20 0 GEADLO Brc1cnc2c(-c3nc([C@@H]4C[N@H+](C5CC5)CCO4)no3)nccn12 ZINC000273988012 532838798 /nfs/dbraw/zinc/83/87/98/532838798.db2.gz WYAQIXUDVUKNKT-JTQLQIEISA-N 1 2 391.229 2.078 20 0 GEADLO CC(=O)c1ccc(NC(=O)C[N@H+](C)CCn2cc(Br)cn2)cc1 ZINC000288882693 532840859 /nfs/dbraw/zinc/84/08/59/532840859.db2.gz RERQJAZFEMPBLZ-UHFFFAOYSA-N 1 2 379.258 2.419 20 0 GEADLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)CCn2cc(Br)cn2)cc1 ZINC000288882693 532840860 /nfs/dbraw/zinc/84/08/60/532840860.db2.gz RERQJAZFEMPBLZ-UHFFFAOYSA-N 1 2 379.258 2.419 20 0 GEADLO CCn1nc(C)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1C ZINC000331559718 532841064 /nfs/dbraw/zinc/84/10/64/532841064.db2.gz FTBUBWLZIYWVIG-GFCCVEGCSA-N 1 2 382.555 2.306 20 0 GEADLO CCn1nc(C)c(S(=O)(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1C ZINC000331559718 532841065 /nfs/dbraw/zinc/84/10/65/532841065.db2.gz FTBUBWLZIYWVIG-GFCCVEGCSA-N 1 2 382.555 2.306 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000331607430 532841912 /nfs/dbraw/zinc/84/19/12/532841912.db2.gz ZYCSYVSSCKQSRA-NSHDSACASA-N 1 2 388.287 2.104 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000331607430 532841916 /nfs/dbraw/zinc/84/19/16/532841916.db2.gz ZYCSYVSSCKQSRA-NSHDSACASA-N 1 2 388.287 2.104 20 0 GEADLO CCN1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328622521 206233459 /nfs/dbraw/zinc/23/34/59/206233459.db2.gz ILGPJAIVTLAFFL-OAHLLOKOSA-N 1 2 386.880 2.411 20 0 GEADLO Cc1nnc2n1CCC[C@H]2[NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 ZINC000359894438 206266741 /nfs/dbraw/zinc/26/67/41/206266741.db2.gz FDRUSCORIGLIRX-OAHLLOKOSA-N 1 2 378.473 2.063 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331712938 532843270 /nfs/dbraw/zinc/84/32/70/532843270.db2.gz LWNQASWGDOYMRM-UHFFFAOYSA-N 1 2 395.301 2.246 20 0 GEADLO O=C(NCCNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)c1c(F)cccc1F ZINC000359907816 206269642 /nfs/dbraw/zinc/26/96/42/206269642.db2.gz ZMHBHZLTRVQNFI-AWEZNQCLSA-N 1 2 388.418 2.122 20 0 GEADLO COc1cccc([C@@H](NC(=O)NC[C@@H](O)Cc2ccccc2)c2[nH+]ccn2C)c1 ZINC000359926511 206270787 /nfs/dbraw/zinc/27/07/87/206270787.db2.gz HDBJVEOSIMAADI-AZUAARDMSA-N 1 2 394.475 2.421 20 0 GEADLO COC(=O)COc1c(C)cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)cc1C ZINC000359999961 206278463 /nfs/dbraw/zinc/27/84/63/206278463.db2.gz PYMKUWKLWHIHPC-DLBZAZTESA-N 1 2 379.453 2.008 20 0 GEADLO COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)cc1C ZINC000359999961 206278468 /nfs/dbraw/zinc/27/84/68/206278468.db2.gz PYMKUWKLWHIHPC-DLBZAZTESA-N 1 2 379.453 2.008 20 0 GEADLO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274255011 532846451 /nfs/dbraw/zinc/84/64/51/532846451.db2.gz YIKLSQBZSHLRCP-PBHICJAKSA-N 1 2 390.933 2.058 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCCc1cn2c(n1)SCC2 ZINC000274287357 532846863 /nfs/dbraw/zinc/84/68/63/532846863.db2.gz YKIKMBNFANUJJU-UHFFFAOYSA-N 1 2 380.275 2.083 20 0 GEADLO C[C@@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)[C@H](C)[NH+]1CCOCC1 ZINC000332027153 532847930 /nfs/dbraw/zinc/84/79/30/532847930.db2.gz NHRJQYYGQSXVMN-OLZOCXBDSA-N 1 2 395.297 2.450 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(Cc2nnnn2-c2ccccc2Br)C[C@H]1C ZINC000332023694 532848188 /nfs/dbraw/zinc/84/81/88/532848188.db2.gz YJRWDMSMQFKISP-CHWSQXEVSA-N 1 2 379.306 2.339 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(Cc2nnnn2-c2ccccc2Br)C[C@H]1C ZINC000332023694 532848189 /nfs/dbraw/zinc/84/81/89/532848189.db2.gz YJRWDMSMQFKISP-CHWSQXEVSA-N 1 2 379.306 2.339 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000289264465 532851195 /nfs/dbraw/zinc/85/11/95/532851195.db2.gz XZMWPSNHZKAMSA-ABAIWWIYSA-N 1 2 386.279 2.254 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000289337171 532852958 /nfs/dbraw/zinc/85/29/58/532852958.db2.gz YXTBNSMKVHRIQL-GXTWGEPZSA-N 1 2 398.301 2.159 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccc(Br)cn1 ZINC000332369325 532853402 /nfs/dbraw/zinc/85/34/02/532853402.db2.gz YLYYRDZHUKSSMQ-UHFFFAOYSA-N 1 2 385.287 2.198 20 0 GEADLO O=c1nc([C@@H]2CCC[N@@H+](Cc3cc4c(cc3Br)OCCO4)C2)[nH][nH]1 ZINC000289365098 532853422 /nfs/dbraw/zinc/85/34/22/532853422.db2.gz HTWFEWHYCDJBBE-SNVBAGLBSA-N 1 2 395.257 2.011 20 0 GEADLO O=c1nc([C@@H]2CCC[N@H+](Cc3cc4c(cc3Br)OCCO4)C2)[nH][nH]1 ZINC000289365098 532853423 /nfs/dbraw/zinc/85/34/23/532853423.db2.gz HTWFEWHYCDJBBE-SNVBAGLBSA-N 1 2 395.257 2.011 20 0 GEADLO Ic1cnc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)s1 ZINC000289418081 532853898 /nfs/dbraw/zinc/85/38/98/532853898.db2.gz UKLWWYVMBMIYMM-SECBINFHSA-N 1 2 380.251 2.333 20 0 GEADLO Ic1cnc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)s1 ZINC000289418081 532853900 /nfs/dbraw/zinc/85/39/00/532853900.db2.gz UKLWWYVMBMIYMM-SECBINFHSA-N 1 2 380.251 2.333 20 0 GEADLO NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2cc(Br)ccn2)CC1 ZINC000274701710 532854561 /nfs/dbraw/zinc/85/45/61/532854561.db2.gz UUPOILVELKLIOP-INIZCTEOSA-N 1 2 375.270 2.193 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cnc(Br)s2)CC1 ZINC000289502426 532856601 /nfs/dbraw/zinc/85/66/01/532856601.db2.gz DNYCUFGQLLORSZ-GFCCVEGCSA-N 1 2 387.347 2.034 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000332513265 532856916 /nfs/dbraw/zinc/85/69/16/532856916.db2.gz KZQOJNCYUXRORY-OCCSQVGLSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000332513265 532856918 /nfs/dbraw/zinc/85/69/18/532856918.db2.gz KZQOJNCYUXRORY-OCCSQVGLSA-N 1 2 386.901 2.374 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000289564061 532859414 /nfs/dbraw/zinc/85/94/14/532859414.db2.gz YZMVJOMTQXOIOF-UHFFFAOYSA-N 1 2 379.295 2.492 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000289638181 532861869 /nfs/dbraw/zinc/86/18/69/532861869.db2.gz CWVQETIXJQUSMJ-JLZZUVOBSA-N 1 2 387.293 2.417 20 0 GEADLO NC(=O)[C@H]([NH2+]Cc1cnc(C2OCCO2)s1)c1cccc(Br)c1 ZINC000289665793 532862772 /nfs/dbraw/zinc/86/27/72/532862772.db2.gz MDTYFTSCRSRATI-GFCCVEGCSA-N 1 2 398.282 2.267 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@@H+]1CCSC(C)(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000333032609 532862828 /nfs/dbraw/zinc/86/28/28/532862828.db2.gz MOVGDGVLXFXUFL-CABCVRRESA-N 1 2 376.588 2.018 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@H+]1CCSC(C)(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000333032609 532862830 /nfs/dbraw/zinc/86/28/30/532862830.db2.gz MOVGDGVLXFXUFL-CABCVRRESA-N 1 2 376.588 2.018 20 0 GEADLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000333082304 532863723 /nfs/dbraw/zinc/86/37/23/532863723.db2.gz XJMVTPBTOQAWKB-CHWSQXEVSA-N 1 2 382.511 2.359 20 0 GEADLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000333082304 532863725 /nfs/dbraw/zinc/86/37/25/532863725.db2.gz XJMVTPBTOQAWKB-CHWSQXEVSA-N 1 2 382.511 2.359 20 0 GEADLO COc1ccc(Br)cc1C1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000416126280 532864283 /nfs/dbraw/zinc/86/42/83/532864283.db2.gz DGLZHYJSVLJXLE-CYBMUJFWSA-N 1 2 397.313 2.326 20 0 GEADLO C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)[C@H](C)S(C)(=O)=O ZINC000416121044 532864545 /nfs/dbraw/zinc/86/45/45/532864545.db2.gz FTGFHNYXLFPNAO-HUBLWGQQSA-N 1 2 383.901 2.348 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1)c1nncn1C ZINC000275138446 532865731 /nfs/dbraw/zinc/86/57/31/532865731.db2.gz DBJMFGCYYYDAGJ-NEPJUHHUSA-N 1 2 380.290 2.275 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@](C)(O)C3)[nH+]c12 ZINC000275129514 532865817 /nfs/dbraw/zinc/86/58/17/532865817.db2.gz OIGWPZPKTXVSET-INIZCTEOSA-N 1 2 381.274 2.114 20 0 GEADLO Cn1cc(Br)c(CNC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)n1 ZINC000333191486 532865876 /nfs/dbraw/zinc/86/58/76/532865876.db2.gz OIUQRYZJGCSYCY-LBPRGKRZSA-N 1 2 381.278 2.209 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1(O)CCCCC1 ZINC000333518016 532869830 /nfs/dbraw/zinc/86/98/30/532869830.db2.gz NGEMKNYCDUMENN-UHFFFAOYSA-N 1 2 384.274 2.314 20 0 GEADLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000290093164 532872288 /nfs/dbraw/zinc/87/22/88/532872288.db2.gz ZSISRZQGEDFJPP-VXGBXAGGSA-N 1 2 380.290 2.423 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Br)c(C4CC4)n3)C[C@@H]21 ZINC000333734567 532873055 /nfs/dbraw/zinc/87/30/55/532873055.db2.gz XDCJWHSQPXOSLT-STQMWFEESA-N 1 2 381.274 2.268 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Br)c(C4CC4)n3)C[C@@H]21 ZINC000333734567 532873058 /nfs/dbraw/zinc/87/30/58/532873058.db2.gz XDCJWHSQPXOSLT-STQMWFEESA-N 1 2 381.274 2.268 20 0 GEADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000416371284 532872730 /nfs/dbraw/zinc/87/27/30/532872730.db2.gz LLGBEKRXZVVWKS-UHFFFAOYSA-N 1 2 383.857 2.066 20 0 GEADLO COCCOC[C@@H]1CC[N@H+](Cc2ncc(I)s2)C1 ZINC000290134286 532873467 /nfs/dbraw/zinc/87/34/67/532873467.db2.gz VHNWREADVHNHEQ-SNVBAGLBSA-N 1 2 382.267 2.233 20 0 GEADLO COCCOC[C@@H]1CC[N@@H+](Cc2ncc(I)s2)C1 ZINC000290134286 532873470 /nfs/dbraw/zinc/87/34/70/532873470.db2.gz VHNWREADVHNHEQ-SNVBAGLBSA-N 1 2 382.267 2.233 20 0 GEADLO COc1cc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1Cl ZINC000416385155 532874809 /nfs/dbraw/zinc/87/48/09/532874809.db2.gz FSEFXXDPVCCYTE-AWEZNQCLSA-N 1 2 388.917 2.082 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000290246110 532876467 /nfs/dbraw/zinc/87/64/67/532876467.db2.gz QVSQEPGYPHEHDT-MLGOLLRUSA-N 1 2 376.881 2.104 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]34)[nH+]c12 ZINC000290323453 532877850 /nfs/dbraw/zinc/87/78/50/532877850.db2.gz AYRDBODGWRXIIU-NILFDRSVSA-N 1 2 394.269 2.073 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000348444702 532879335 /nfs/dbraw/zinc/87/93/35/532879335.db2.gz OOEPAHMDXZQODI-MELADBBJSA-N 1 2 375.226 2.191 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000348444702 532879338 /nfs/dbraw/zinc/87/93/38/532879338.db2.gz OOEPAHMDXZQODI-MELADBBJSA-N 1 2 375.226 2.191 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420906014 532886863 /nfs/dbraw/zinc/88/68/63/532886863.db2.gz RKUKIJJHEPNNHH-TXEJJXNPSA-N 1 2 379.309 2.071 20 0 GEADLO FC(F)(F)COCCn1nnnc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420945015 532887426 /nfs/dbraw/zinc/88/74/26/532887426.db2.gz KBHRLUUJWFECGI-SNVBAGLBSA-N 1 2 375.317 2.416 20 0 GEADLO FC(F)(F)COCCn1nnnc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420945015 532887427 /nfs/dbraw/zinc/88/74/27/532887427.db2.gz KBHRLUUJWFECGI-SNVBAGLBSA-N 1 2 375.317 2.416 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000290571163 532884456 /nfs/dbraw/zinc/88/44/56/532884456.db2.gz YPEZCUAWBVJAHQ-HNNXBMFYSA-N 1 2 380.539 2.152 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000290571163 532884457 /nfs/dbraw/zinc/88/44/57/532884457.db2.gz YPEZCUAWBVJAHQ-HNNXBMFYSA-N 1 2 380.539 2.152 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000290781215 532889490 /nfs/dbraw/zinc/88/94/90/532889490.db2.gz CFFLXBLUQYQUNK-ZDUSSCGKSA-N 1 2 378.274 2.133 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000290781215 532889493 /nfs/dbraw/zinc/88/94/93/532889493.db2.gz CFFLXBLUQYQUNK-ZDUSSCGKSA-N 1 2 378.274 2.133 20 0 GEADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1sc2ccccc2c1Br ZINC000290774686 532888998 /nfs/dbraw/zinc/88/89/98/532888998.db2.gz BMSXMQICAIATCK-UHFFFAOYSA-N 1 2 396.310 2.216 20 0 GEADLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1sc2ccccc2c1Br ZINC000290774686 532889001 /nfs/dbraw/zinc/88/90/01/532889001.db2.gz BMSXMQICAIATCK-UHFFFAOYSA-N 1 2 396.310 2.216 20 0 GEADLO OCC[NH+]1CCN(c2nnc(-c3cc(Br)ccc3F)s2)CC1 ZINC000276123771 532889143 /nfs/dbraw/zinc/88/91/43/532889143.db2.gz YXAAJTVNLWUUPX-UHFFFAOYSA-N 1 2 387.278 2.221 20 0 GEADLO C[C@@](NC(=O)C[N@@H+]1CCc2sccc2C1)(C(N)=O)c1cccc(Cl)c1 ZINC000361026730 532891969 /nfs/dbraw/zinc/89/19/69/532891969.db2.gz BUTVXNGIDNXSLC-SFHVURJKSA-N 1 2 377.897 2.277 20 0 GEADLO C[C@@](NC(=O)C[N@H+]1CCc2sccc2C1)(C(N)=O)c1cccc(Cl)c1 ZINC000361026730 532891971 /nfs/dbraw/zinc/89/19/71/532891971.db2.gz BUTVXNGIDNXSLC-SFHVURJKSA-N 1 2 377.897 2.277 20 0 GEADLO Cc1cc(Br)cn2cc(CNS(=O)(=O)[C@H]3CCO[C@@H]3C)[nH+]c12 ZINC000276269551 532892452 /nfs/dbraw/zinc/89/24/52/532892452.db2.gz ZHCZIKGKHYWUMR-MFKMUULPSA-N 1 2 388.287 2.002 20 0 GEADLO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000360662851 532890504 /nfs/dbraw/zinc/89/05/04/532890504.db2.gz PKJBTPRHUHOHNV-VIFPVBQESA-N 1 2 375.907 2.271 20 0 GEADLO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000360662851 532890506 /nfs/dbraw/zinc/89/05/06/532890506.db2.gz PKJBTPRHUHOHNV-VIFPVBQESA-N 1 2 375.907 2.271 20 0 GEADLO [NH3+][C@H](C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)c1cscn1 ZINC000423075591 532893465 /nfs/dbraw/zinc/89/34/65/532893465.db2.gz OVUGDFABXYPIHA-SDBXPKJASA-N 1 2 376.265 2.006 20 0 GEADLO C[NH+]1CCC(Oc2ccc(NS(=O)(=O)c3cncc(Cl)c3)cn2)CC1 ZINC000361898890 532894267 /nfs/dbraw/zinc/89/42/67/532894267.db2.gz DTUIJDFAJVRPCK-UHFFFAOYSA-N 1 2 382.873 2.404 20 0 GEADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc(I)ccc1O ZINC000362406253 532895933 /nfs/dbraw/zinc/89/59/33/532895933.db2.gz APGBLDWCPYGWLO-VIFPVBQESA-N 1 2 383.189 2.007 20 0 GEADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc(I)ccc1O ZINC000362406253 532895937 /nfs/dbraw/zinc/89/59/37/532895937.db2.gz APGBLDWCPYGWLO-VIFPVBQESA-N 1 2 383.189 2.007 20 0 GEADLO C[C@H]([C@H](C)NC(=O)Cc1noc2ccc(Br)cc21)[NH+]1CCOCC1 ZINC000424647821 532896835 /nfs/dbraw/zinc/89/68/35/532896835.db2.gz LDFQDIOGBOZPMR-NWDGAFQWSA-N 1 2 396.285 2.358 20 0 GEADLO C[C@@H](NC(=O)Cc1noc2ccc(Br)cc21)[C@@H](C)[NH+]1CCOCC1 ZINC000424647828 532896843 /nfs/dbraw/zinc/89/68/43/532896843.db2.gz LDFQDIOGBOZPMR-VXGBXAGGSA-N 1 2 396.285 2.358 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)CCOc1ccccc1I ZINC000291210749 532898560 /nfs/dbraw/zinc/89/85/60/532898560.db2.gz FTGVGVZWMPVNSJ-UHFFFAOYSA-N 1 2 385.205 2.110 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000291239576 532898852 /nfs/dbraw/zinc/89/88/52/532898852.db2.gz OFCSRVAIDYQQDL-UHFFFAOYSA-N 1 2 381.217 2.373 20 0 GEADLO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)sc1Br ZINC000291454244 532901926 /nfs/dbraw/zinc/90/19/26/532901926.db2.gz NMBVTXSRVMJDJD-GHMZBOCLSA-N 1 2 389.315 2.454 20 0 GEADLO Cc1nn2c(C[N@@H+]3CCC[C@@H](CNC(=O)C(F)(F)F)C3)c(C)nc2s1 ZINC000291453264 532901990 /nfs/dbraw/zinc/90/19/90/532901990.db2.gz CPNJBEZGRQLIIK-NSHDSACASA-N 1 2 375.420 2.298 20 0 GEADLO Cc1nn2c(C[N@H+]3CCC[C@@H](CNC(=O)C(F)(F)F)C3)c(C)nc2s1 ZINC000291453264 532901993 /nfs/dbraw/zinc/90/19/93/532901993.db2.gz CPNJBEZGRQLIIK-NSHDSACASA-N 1 2 375.420 2.298 20 0 GEADLO Cc1nn2c(C[N@@H+]3CCC[C@H](CNC(=O)C(F)(F)F)C3)c(C)nc2s1 ZINC000291453261 532902105 /nfs/dbraw/zinc/90/21/05/532902105.db2.gz CPNJBEZGRQLIIK-LLVKDONJSA-N 1 2 375.420 2.298 20 0 GEADLO Cc1nn2c(C[N@H+]3CCC[C@H](CNC(=O)C(F)(F)F)C3)c(C)nc2s1 ZINC000291453261 532902107 /nfs/dbraw/zinc/90/21/07/532902107.db2.gz CPNJBEZGRQLIIK-LLVKDONJSA-N 1 2 375.420 2.298 20 0 GEADLO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363942497 532902300 /nfs/dbraw/zinc/90/23/00/532902300.db2.gz UVEYONMDQFXPGW-AWEZNQCLSA-N 1 2 378.270 2.477 20 0 GEADLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccnn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000364028351 532902778 /nfs/dbraw/zinc/90/27/78/532902778.db2.gz HLFSHVTWFNXYOQ-GDBMZVCRSA-N 1 2 386.880 2.326 20 0 GEADLO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccnn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000364028351 532902780 /nfs/dbraw/zinc/90/27/80/532902780.db2.gz HLFSHVTWFNXYOQ-GDBMZVCRSA-N 1 2 386.880 2.326 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000291500725 532903095 /nfs/dbraw/zinc/90/30/95/532903095.db2.gz HJKLODCIJZJTJZ-SECBINFHSA-N 1 2 383.212 2.073 20 0 GEADLO Cn1ncc(Br)c1C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000291500725 532903096 /nfs/dbraw/zinc/90/30/96/532903096.db2.gz HJKLODCIJZJTJZ-SECBINFHSA-N 1 2 383.212 2.073 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000291500727 532903278 /nfs/dbraw/zinc/90/32/78/532903278.db2.gz HJKLODCIJZJTJZ-VIFPVBQESA-N 1 2 383.212 2.073 20 0 GEADLO Cn1ncc(Br)c1C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000291500727 532903279 /nfs/dbraw/zinc/90/32/79/532903279.db2.gz HJKLODCIJZJTJZ-VIFPVBQESA-N 1 2 383.212 2.073 20 0 GEADLO Cc1cnc(Br)c(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000291514418 532903496 /nfs/dbraw/zinc/90/34/96/532903496.db2.gz OZMSYYPYIPYPIL-UHFFFAOYSA-N 1 2 392.257 2.151 20 0 GEADLO Cn1ncc2c1nc[nH+]c2NC[C@H](CO)Cc1ccccc1Br ZINC000276977065 532905085 /nfs/dbraw/zinc/90/50/85/532905085.db2.gz FCYMGYJEOQULHZ-LLVKDONJSA-N 1 2 376.258 2.389 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cccc(Br)c3OC)C2)nn1 ZINC000364656006 532907461 /nfs/dbraw/zinc/90/74/61/532907461.db2.gz CBEYHIREEVUEPV-GFCCVEGCSA-N 1 2 395.257 2.283 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cccc(Br)c3OC)C2)nn1 ZINC000364656006 532907463 /nfs/dbraw/zinc/90/74/63/532907463.db2.gz CBEYHIREEVUEPV-GFCCVEGCSA-N 1 2 395.257 2.283 20 0 GEADLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000291694380 532907552 /nfs/dbraw/zinc/90/75/52/532907552.db2.gz YKVZDOUKOKIABQ-AWEZNQCLSA-N 1 2 390.285 2.227 20 0 GEADLO O=C1CCCN1[C@H]1CC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000291694380 532907553 /nfs/dbraw/zinc/90/75/53/532907553.db2.gz YKVZDOUKOKIABQ-AWEZNQCLSA-N 1 2 390.285 2.227 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cccc(Br)c3OC)C2)nn1 ZINC000364656011 532907665 /nfs/dbraw/zinc/90/76/65/532907665.db2.gz CBEYHIREEVUEPV-LBPRGKRZSA-N 1 2 395.257 2.283 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cccc(Br)c3OC)C2)nn1 ZINC000364656011 532907666 /nfs/dbraw/zinc/90/76/66/532907666.db2.gz CBEYHIREEVUEPV-LBPRGKRZSA-N 1 2 395.257 2.283 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000291876446 532909878 /nfs/dbraw/zinc/90/98/78/532909878.db2.gz IMXIWALXHUOYFB-HZMBPMFUSA-N 1 2 380.242 2.176 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000291876446 532909879 /nfs/dbraw/zinc/90/98/79/532909879.db2.gz IMXIWALXHUOYFB-HZMBPMFUSA-N 1 2 380.242 2.176 20 0 GEADLO CC(C)[N@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCOC1 ZINC000291946468 532910948 /nfs/dbraw/zinc/91/09/48/532910948.db2.gz UKCVAQHMDSCYNQ-CYBMUJFWSA-N 1 2 376.425 2.121 20 0 GEADLO CC(C)[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCOC1 ZINC000291946468 532910949 /nfs/dbraw/zinc/91/09/49/532910949.db2.gz UKCVAQHMDSCYNQ-CYBMUJFWSA-N 1 2 376.425 2.121 20 0 GEADLO COC(=O)c1cn(C2CC[NH+](Cc3cnc(C(F)(F)F)s3)CC2)nn1 ZINC000365825882 532912336 /nfs/dbraw/zinc/91/23/36/532912336.db2.gz PCLXYGVEKKLELA-UHFFFAOYSA-N 1 2 375.376 2.377 20 0 GEADLO CC(C)[N@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCOC1 ZINC000291946470 532911061 /nfs/dbraw/zinc/91/10/61/532911061.db2.gz UKCVAQHMDSCYNQ-ZDUSSCGKSA-N 1 2 376.425 2.121 20 0 GEADLO CC(C)[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCOC1 ZINC000291946470 532911063 /nfs/dbraw/zinc/91/10/63/532911063.db2.gz UKCVAQHMDSCYNQ-ZDUSSCGKSA-N 1 2 376.425 2.121 20 0 GEADLO Cc1cnc(Br)c(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000292014258 532911905 /nfs/dbraw/zinc/91/19/05/532911905.db2.gz IZYHPWGDVMHSQW-OLZOCXBDSA-N 1 2 383.290 2.479 20 0 GEADLO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(Br)cn1 ZINC000366277616 532915719 /nfs/dbraw/zinc/91/57/19/532915719.db2.gz HUPPBYXCQSXZEP-BXUZGUMPSA-N 1 2 383.290 2.068 20 0 GEADLO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(Br)cn1 ZINC000366277616 532915721 /nfs/dbraw/zinc/91/57/21/532915721.db2.gz HUPPBYXCQSXZEP-BXUZGUMPSA-N 1 2 383.290 2.068 20 0 GEADLO Cn1cc(Br)c(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000292771657 532918426 /nfs/dbraw/zinc/91/84/26/532918426.db2.gz WKNIUJMJCKGEAS-UHFFFAOYSA-N 1 2 378.274 2.498 20 0 GEADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CNS(=O)(=O)c1cccs1 ZINC000366549169 532918800 /nfs/dbraw/zinc/91/88/00/532918800.db2.gz VLFSPKCJIUVLBW-UHFFFAOYSA-N 1 2 376.463 2.364 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000366577129 532919181 /nfs/dbraw/zinc/91/91/81/532919181.db2.gz HHJGQZNVGIOFJP-KBPBESRZSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000366577129 532919182 /nfs/dbraw/zinc/91/91/82/532919182.db2.gz HHJGQZNVGIOFJP-KBPBESRZSA-N 1 2 389.308 2.451 20 0 GEADLO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1n[nH]c2ccc(Br)cc21 ZINC000366596013 532919330 /nfs/dbraw/zinc/91/93/30/532919330.db2.gz YQFSHGVLLKOQRO-CYBMUJFWSA-N 1 2 393.285 2.309 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000366622065 532919429 /nfs/dbraw/zinc/91/94/29/532919429.db2.gz URBBUGRKTABQFN-CYBMUJFWSA-N 1 2 377.857 2.263 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000366642238 532919679 /nfs/dbraw/zinc/91/96/79/532919679.db2.gz NFLGXJNXTGGHPE-WFASDCNBSA-N 1 2 386.265 2.111 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000366642238 532919680 /nfs/dbraw/zinc/91/96/80/532919680.db2.gz NFLGXJNXTGGHPE-WFASDCNBSA-N 1 2 386.265 2.111 20 0 GEADLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1sc(S(N)(=O)=O)cc1C ZINC000366663787 532919867 /nfs/dbraw/zinc/91/98/67/532919867.db2.gz NLPJIJAJDUSQIX-GFCCVEGCSA-N 1 2 382.511 2.288 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000292975313 532920441 /nfs/dbraw/zinc/92/04/41/532920441.db2.gz HECDRKIYWSOPIT-JTQLQIEISA-N 1 2 392.257 2.061 20 0 GEADLO COCCOCCN(C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000292999431 532920826 /nfs/dbraw/zinc/92/08/26/532920826.db2.gz OHSXKJHLAJZIJQ-UHFFFAOYSA-N 1 2 399.289 2.210 20 0 GEADLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3nc(C(N)=O)cs3)CC2)cs1 ZINC000293033357 532921365 /nfs/dbraw/zinc/92/13/65/532921365.db2.gz LFXQETVISIWCCR-NSHDSACASA-N 1 2 381.527 2.118 20 0 GEADLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3nc(C(N)=O)cs3)CC2)cs1 ZINC000293033357 532921368 /nfs/dbraw/zinc/92/13/68/532921368.db2.gz LFXQETVISIWCCR-NSHDSACASA-N 1 2 381.527 2.118 20 0 GEADLO C[C@H]1C[C@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C[N@@H+]1C1CC1 ZINC000293122230 532922510 /nfs/dbraw/zinc/92/25/10/532922510.db2.gz RBAWQCRWSFPRHN-RYUDHWBXSA-N 1 2 390.285 2.427 20 0 GEADLO C[C@H]1C[C@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C[N@H+]1C1CC1 ZINC000293122230 532922511 /nfs/dbraw/zinc/92/25/11/532922511.db2.gz RBAWQCRWSFPRHN-RYUDHWBXSA-N 1 2 390.285 2.427 20 0 GEADLO O=C1CO[C@H]2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)C[C@@H]2N1 ZINC000367154541 532923085 /nfs/dbraw/zinc/92/30/85/532923085.db2.gz VGLGFOMIBZDETO-AAEUAGOBSA-N 1 2 380.217 2.230 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000293268284 532924560 /nfs/dbraw/zinc/92/45/60/532924560.db2.gz JDKPOWFETBYJQW-SWLSCSKDSA-N 1 2 376.316 2.239 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000293268284 532924561 /nfs/dbraw/zinc/92/45/61/532924561.db2.gz JDKPOWFETBYJQW-SWLSCSKDSA-N 1 2 376.316 2.239 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Br)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367886196 532928349 /nfs/dbraw/zinc/92/83/49/532928349.db2.gz NRPYOXHWFXBLPF-MRVPVSSYSA-N 1 2 389.649 2.330 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000368196389 532930652 /nfs/dbraw/zinc/93/06/52/532930652.db2.gz SFXGYDIQEQJTIV-HNNXBMFYSA-N 1 2 379.258 2.466 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CC[C@@H]([NH+]4CCOCC4)[C@H]3C)cc2s1 ZINC000368191707 532930728 /nfs/dbraw/zinc/93/07/28/532930728.db2.gz BDVGRNPSRWMANT-MLGOLLRUSA-N 1 2 381.523 2.088 20 0 GEADLO CN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000368735985 532933992 /nfs/dbraw/zinc/93/39/92/532933992.db2.gz KTRNBUMKBJNVQN-HNNXBMFYSA-N 1 2 398.301 2.246 20 0 GEADLO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ncc(Br)cc1F ZINC000368750965 532934097 /nfs/dbraw/zinc/93/40/97/532934097.db2.gz QDXRJUHVLXMVFG-YGRLFVJLSA-N 1 2 386.265 2.414 20 0 GEADLO Brc1cccc(-c2noc(C[N@@H+]3CCN4CCOC[C@H]4C3)n2)c1 ZINC000368813409 532934518 /nfs/dbraw/zinc/93/45/18/532934518.db2.gz GGOPAPKLZCBQFX-CQSZACIVSA-N 1 2 379.258 2.016 20 0 GEADLO Brc1cccc(-c2noc(C[N@H+]3CCN4CCOC[C@H]4C3)n2)c1 ZINC000368813409 532934519 /nfs/dbraw/zinc/93/45/19/532934519.db2.gz GGOPAPKLZCBQFX-CQSZACIVSA-N 1 2 379.258 2.016 20 0 GEADLO O=S(=O)(CC[NH+]1CCCC1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000369157639 532937154 /nfs/dbraw/zinc/93/71/54/532937154.db2.gz RRVMCQJXHYQTJQ-UHFFFAOYSA-N 1 2 380.436 2.034 20 0 GEADLO C[C@H](Sc1nncn1C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000294140809 532935970 /nfs/dbraw/zinc/93/59/70/532935970.db2.gz AJUFJPGCGJMZGU-NSHDSACASA-N 1 2 376.873 2.451 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)Cc3ccon3)CC2)cs1 ZINC000369673188 532940271 /nfs/dbraw/zinc/94/02/71/532940271.db2.gz CREFHUBVCHPGEM-UHFFFAOYSA-N 1 2 384.527 2.025 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000369350605 532938531 /nfs/dbraw/zinc/93/85/31/532938531.db2.gz VHJDWYOWUWNHLB-LBPRGKRZSA-N 1 2 379.873 2.290 20 0 GEADLO C[N@@H+]1CC[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)[C@H]1c1cccc(Cl)c1 ZINC000369363852 532938848 /nfs/dbraw/zinc/93/88/48/532938848.db2.gz ODHSUZKSMXOQHR-DOTOQJQBSA-N 1 2 384.929 2.274 20 0 GEADLO C[N@H+]1CC[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)[C@H]1c1cccc(Cl)c1 ZINC000369363852 532938849 /nfs/dbraw/zinc/93/88/49/532938849.db2.gz ODHSUZKSMXOQHR-DOTOQJQBSA-N 1 2 384.929 2.274 20 0 GEADLO CCc1nnc(NC(=O)N2CCC[N@@H+](Cc3csc(CC)n3)CC2)s1 ZINC000369403861 532939297 /nfs/dbraw/zinc/93/92/97/532939297.db2.gz NCRVOGPCGFCSGE-UHFFFAOYSA-N 1 2 380.543 2.859 20 0 GEADLO CCc1nnc(NC(=O)N2CCC[N@H+](Cc3csc(CC)n3)CC2)s1 ZINC000369403861 532939298 /nfs/dbraw/zinc/93/92/98/532939298.db2.gz NCRVOGPCGFCSGE-UHFFFAOYSA-N 1 2 380.543 2.859 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000369465603 532939476 /nfs/dbraw/zinc/93/94/76/532939476.db2.gz VHIHZJPHHGEHED-KGLIPLIRSA-N 1 2 382.258 2.168 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000369490271 532939583 /nfs/dbraw/zinc/93/95/83/532939583.db2.gz AMVSQCDNWLFINE-UHFFFAOYSA-N 1 2 378.841 2.408 20 0 GEADLO CCc1cc(N)nc(S[C@H]2CCN(c3sccc3C(=O)OC)C2=O)[nH+]1 ZINC000370508312 532943815 /nfs/dbraw/zinc/94/38/15/532943815.db2.gz OFOMWFWCAPQRCE-NSHDSACASA-N 1 2 378.479 2.367 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3[nH+]ccn3C2)c(Cl)cc1Cl ZINC000370337238 532942920 /nfs/dbraw/zinc/94/29/20/532942920.db2.gz IIXNOEQPVYFRBZ-VIFPVBQESA-N 1 2 388.276 2.338 20 0 GEADLO CNC(=O)CN1CCC[N@H+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000370469761 532943625 /nfs/dbraw/zinc/94/36/25/532943625.db2.gz CZTYJEWWJRZIRJ-UHFFFAOYSA-N 1 2 391.313 2.251 20 0 GEADLO CNC(=O)CN1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000370469761 532943626 /nfs/dbraw/zinc/94/36/26/532943626.db2.gz CZTYJEWWJRZIRJ-UHFFFAOYSA-N 1 2 391.313 2.251 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000369737238 532940606 /nfs/dbraw/zinc/94/06/06/532940606.db2.gz GNDIWRFAFDNGRU-AEFFLSMTSA-N 1 2 379.298 2.101 20 0 GEADLO Cc1c(Br)cccc1C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000369725872 532940693 /nfs/dbraw/zinc/94/06/93/532940693.db2.gz BWNBJLVDSXRWOF-UHFFFAOYSA-N 1 2 394.313 2.313 20 0 GEADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000369962580 532941510 /nfs/dbraw/zinc/94/15/10/532941510.db2.gz NWERXLQZJFOJIP-XNRPHZJLSA-N 1 2 394.313 2.308 20 0 GEADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000369962580 532941511 /nfs/dbraw/zinc/94/15/11/532941511.db2.gz NWERXLQZJFOJIP-XNRPHZJLSA-N 1 2 394.313 2.308 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCC1 ZINC000370794305 532945394 /nfs/dbraw/zinc/94/53/94/532945394.db2.gz BDOAYYVSQRJUPM-UHFFFAOYSA-N 1 2 380.286 2.005 20 0 GEADLO COc1ccc([C@H](NS(=O)(=O)c2cnc(C)s2)c2[nH+]ccn2C)cc1 ZINC000370779571 532945442 /nfs/dbraw/zinc/94/54/42/532945442.db2.gz LJASHJDEKZWHPW-HNNXBMFYSA-N 1 2 378.479 2.262 20 0 GEADLO Cc1c(Br)cccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000370556087 532944170 /nfs/dbraw/zinc/94/41/70/532944170.db2.gz JETSLUHUYSUNEC-SFHVURJKSA-N 1 2 397.313 2.369 20 0 GEADLO CN(C)c1ncc(Br)cc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000371044535 532946626 /nfs/dbraw/zinc/94/66/26/532946626.db2.gz RBUNHRMAZIVVBO-NSHDSACASA-N 1 2 378.274 2.273 20 0 GEADLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CCCOC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000371703826 532949347 /nfs/dbraw/zinc/94/93/47/532949347.db2.gz PYTWHMRICJAJCR-ZBFHGGJFSA-N 1 2 380.432 2.195 20 0 GEADLO CC[N@H+]1CC[C@@H](NS(=O)(=O)CCCOC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000371703826 532949348 /nfs/dbraw/zinc/94/93/48/532949348.db2.gz PYTWHMRICJAJCR-ZBFHGGJFSA-N 1 2 380.432 2.195 20 0 GEADLO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371734800 532949436 /nfs/dbraw/zinc/94/94/36/532949436.db2.gz PMDJNCMLBRQWBW-GFCCVEGCSA-N 1 2 391.225 2.480 20 0 GEADLO CCN1CCN(S(=O)(=O)Cc2cccc3cccnc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328631076 570995960 /nfs/dbraw/zinc/99/59/60/570995960.db2.gz QOBZOMJKFLBSBA-QGZVFWFLSA-N 1 2 385.493 2.167 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736204509 598934344 /nfs/dbraw/zinc/93/43/44/598934344.db2.gz QLYNSPSGTQYECX-MRXNPFEDSA-N 1 2 391.479 2.100 20 0 GEADLO Cc1cc[nH+]c(NC[C@H]2CCN(c3c4ccccc4nnc3-c3nn[nH]n3)C2)c1 ZINC000737437728 598963396 /nfs/dbraw/zinc/96/33/96/598963396.db2.gz PXPZYYBPSPOIPE-CQSZACIVSA-N 1 2 387.451 2.452 20 0 GEADLO COc1c(C)cc(C[N@H+](C)[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000737023784 599073402 /nfs/dbraw/zinc/07/34/02/599073402.db2.gz NKWFJAJRJNJNJC-KRWDZBQOSA-N 1 2 380.452 2.151 20 0 GEADLO COc1c(C)cc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000737023784 599073405 /nfs/dbraw/zinc/07/34/05/599073405.db2.gz NKWFJAJRJNJNJC-KRWDZBQOSA-N 1 2 380.452 2.151 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@H]1c1ccccc1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737884530 599080943 /nfs/dbraw/zinc/08/09/43/599080943.db2.gz NVBTTYMJTZOANZ-SFHVURJKSA-N 1 2 394.504 2.273 20 0 GEADLO O=C(C[N@H+]1CCSC[C@H]1c1ccccc1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737884530 599080947 /nfs/dbraw/zinc/08/09/47/599080947.db2.gz NVBTTYMJTZOANZ-SFHVURJKSA-N 1 2 394.504 2.273 20 0 GEADLO COc1ccc2ccccc2c1C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737120656 599089521 /nfs/dbraw/zinc/08/95/21/599089521.db2.gz QIMLJYALCKKVQJ-LJQANCHMSA-N 1 2 388.431 2.345 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822449668 607260721 /nfs/dbraw/zinc/26/07/21/607260721.db2.gz JOOFBLYUHLKEDC-UHFFFAOYSA-N 1 2 380.412 2.051 20 0 GEADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)Nc3cccc(-c4nn[nH]n4)c3C)C2)o1 ZINC000822389520 607285936 /nfs/dbraw/zinc/28/59/36/607285936.db2.gz ZMVGIBODWLJGJY-CQSZACIVSA-N 1 2 396.455 2.210 20 0 GEADLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)Nc3cccc(-c4nn[nH]n4)c3C)C2)o1 ZINC000822389520 607285937 /nfs/dbraw/zinc/28/59/37/607285937.db2.gz ZMVGIBODWLJGJY-CQSZACIVSA-N 1 2 396.455 2.210 20 0 GEADLO FC(F)(F)[C@@H]1CCCn2c(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)nnc21 ZINC000737626683 599285743 /nfs/dbraw/zinc/28/57/43/599285743.db2.gz JDYJXUIRDDURIV-GFCCVEGCSA-N 1 2 378.362 2.188 20 0 GEADLO O=C(C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)NCc1cccs1 ZINC000737874388 598249467 /nfs/dbraw/zinc/24/94/67/598249467.db2.gz BQMMKFPQWQFCGQ-UHFFFAOYSA-N 1 2 398.492 2.088 20 0 GEADLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737400591 598253427 /nfs/dbraw/zinc/25/34/27/598253427.db2.gz UJHILAOLSJYZAB-INIZCTEOSA-N 1 2 391.479 2.324 20 0 GEADLO Cc1ccc(N2CCC(C(=O)NCc3ccc(-c4nn[nH]n4)cc3F)CC2)[nH+]c1 ZINC000737352628 598300699 /nfs/dbraw/zinc/30/06/99/598300699.db2.gz QVGWEPFBRYJKPQ-UHFFFAOYSA-N 1 2 395.442 2.242 20 0 GEADLO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000737508503 598354125 /nfs/dbraw/zinc/35/41/25/598354125.db2.gz BYLNPRGWHUDDCL-CYBMUJFWSA-N 1 2 386.485 2.054 20 0 GEADLO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000737508503 598354127 /nfs/dbraw/zinc/35/41/27/598354127.db2.gz BYLNPRGWHUDDCL-CYBMUJFWSA-N 1 2 386.485 2.054 20 0 GEADLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737765119 598365526 /nfs/dbraw/zinc/36/55/26/598365526.db2.gz SNLXDKNMACSKTA-UHFFFAOYSA-N 1 2 385.815 2.200 20 0 GEADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000737469702 598407157 /nfs/dbraw/zinc/40/71/57/598407157.db2.gz BKMLJLSGOWPPHV-LBPRGKRZSA-N 1 2 385.497 2.249 20 0 GEADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000737469702 598407159 /nfs/dbraw/zinc/40/71/59/598407159.db2.gz BKMLJLSGOWPPHV-LBPRGKRZSA-N 1 2 385.497 2.249 20 0 GEADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)c2C1 ZINC000736479725 598451635 /nfs/dbraw/zinc/45/16/35/598451635.db2.gz FYQOHABBWYKBHJ-UHFFFAOYSA-N 1 2 384.465 2.393 20 0 GEADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)c2C1 ZINC000736479725 598451636 /nfs/dbraw/zinc/45/16/36/598451636.db2.gz FYQOHABBWYKBHJ-UHFFFAOYSA-N 1 2 384.465 2.393 20 0 GEADLO CCS[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000736663362 598452023 /nfs/dbraw/zinc/45/20/23/598452023.db2.gz FDGMXAGGYOSFBO-KRWDZBQOSA-N 1 2 388.541 2.289 20 0 GEADLO O=C(c1ccc(-c2nn[nH]n2)cn1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000738261624 598458683 /nfs/dbraw/zinc/45/86/83/598458683.db2.gz RCMVTAFURIUUSZ-UHFFFAOYSA-N 1 2 397.870 2.263 20 0 GEADLO O=C(c1ccc(-c2nn[nH]n2)cn1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000738261624 598458685 /nfs/dbraw/zinc/45/86/85/598458685.db2.gz RCMVTAFURIUUSZ-UHFFFAOYSA-N 1 2 397.870 2.263 20 0 GEADLO COc1ccccc1C[NH+]1CCN(c2snc(Cl)c2-c2nn[nH]n2)CC1 ZINC000737148994 598551304 /nfs/dbraw/zinc/55/13/04/598551304.db2.gz FFPKSRZKGQHRMB-UHFFFAOYSA-N 1 2 391.888 2.307 20 0 GEADLO COc1ccccc1C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000737150012 598553066 /nfs/dbraw/zinc/55/30/66/598553066.db2.gz JTKNXEHWMZYTQS-UHFFFAOYSA-N 1 2 382.443 2.332 20 0 GEADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000736637956 598729623 /nfs/dbraw/zinc/72/96/23/598729623.db2.gz VNJYAVZZJSBHQW-CYBMUJFWSA-N 1 2 382.428 2.400 20 0 GEADLO O=C(C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)Nc1ccc(O)cc1 ZINC000737875398 598767112 /nfs/dbraw/zinc/76/71/12/598767112.db2.gz LABKDKRYVMVSEV-UHFFFAOYSA-N 1 2 394.435 2.054 20 0 GEADLO CC(C)[C@H](C)C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000735702595 598803597 /nfs/dbraw/zinc/80/35/97/598803597.db2.gz PQDSJRRCPQIUMU-AWEZNQCLSA-N 1 2 379.468 2.356 20 0 GEADLO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCCCNc1cccc[nH+]1 ZINC000735736341 599388340 /nfs/dbraw/zinc/38/83/40/599388340.db2.gz SEWKLSHWSSDDHM-SFHVURJKSA-N 1 2 395.467 2.284 20 0 GEADLO CN1CC[NH+](CCOc2ccc(NCc3ccc(-c4nn[nH]n4)cc3)cc2)CC1 ZINC000821627117 599463089 /nfs/dbraw/zinc/46/30/89/599463089.db2.gz OCCRFJPORMBGJW-UHFFFAOYSA-N 1 2 393.495 2.105 20 0 GEADLO c1ccc(N2CCOCC2)c(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)c1 ZINC000823788114 599503047 /nfs/dbraw/zinc/50/30/47/599503047.db2.gz VONPNCSGCOJEFN-UHFFFAOYSA-N 1 2 387.447 2.286 20 0 GEADLO CNc1cc(N2CCC[C@H]2CNc2ccc(-c3nn[nH]n3)c(Cl)c2)nc[nH+]1 ZINC000821637461 599531580 /nfs/dbraw/zinc/53/15/80/599531580.db2.gz GVLWFTVNRUTPLI-LBPRGKRZSA-N 1 2 385.863 2.433 20 0 GEADLO CCO[C@H](C)c1noc(C[N@H+](C)Cc2cn3ccccc3c2-c2nn[nH]n2)n1 ZINC000821346372 599582895 /nfs/dbraw/zinc/58/28/95/599582895.db2.gz GTMGFPINCOJGHQ-GFCCVEGCSA-N 1 2 382.428 2.232 20 0 GEADLO CCO[C@H](C)c1noc(C[N@@H+](C)Cc2cn3ccccc3c2-c2nn[nH]n2)n1 ZINC000821346372 599582897 /nfs/dbraw/zinc/58/28/97/599582897.db2.gz GTMGFPINCOJGHQ-GFCCVEGCSA-N 1 2 382.428 2.232 20 0 GEADLO Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C(=O)[O-])c3ccccc3)CC2)cc1 ZINC000738598047 599781981 /nfs/dbraw/zinc/78/19/81/599781981.db2.gz OSVZRYLVHCOZOM-JOCHJYFZSA-N 1 2 395.503 2.445 20 0 GEADLO Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C(=O)[O-])c3ccccc3)CC2)cc1 ZINC000738598047 599781982 /nfs/dbraw/zinc/78/19/82/599781982.db2.gz OSVZRYLVHCOZOM-JOCHJYFZSA-N 1 2 395.503 2.445 20 0 GEADLO NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCc1occc1C(=O)[O-] ZINC000739184196 599855374 /nfs/dbraw/zinc/85/53/74/599855374.db2.gz ODKKQASWSAQEBF-UHFFFAOYSA-N 1 2 386.452 2.184 20 0 GEADLO Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3C(=O)[O-])C2)c1 ZINC000738798936 600111797 /nfs/dbraw/zinc/11/17/97/600111797.db2.gz VLMDLLKUKXXCIY-MRXNPFEDSA-N 1 2 382.464 2.485 20 0 GEADLO Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3C(=O)[O-])C2)c1 ZINC000738798936 600111799 /nfs/dbraw/zinc/11/17/99/600111799.db2.gz VLMDLLKUKXXCIY-MRXNPFEDSA-N 1 2 382.464 2.485 20 0 GEADLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC000736722388 600332434 /nfs/dbraw/zinc/33/24/34/600332434.db2.gz CHLTZLFWMKWWIW-PKOBYXMFSA-N 1 2 385.508 2.079 20 0 GEADLO C[C@@H](Sc1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000736712918 600495282 /nfs/dbraw/zinc/49/52/82/600495282.db2.gz RQWQOGVGSRHNCG-CABCVRRESA-N 1 2 391.537 2.150 20 0 GEADLO C[C@@H](Sc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000736712918 600495284 /nfs/dbraw/zinc/49/52/84/600495284.db2.gz RQWQOGVGSRHNCG-CABCVRRESA-N 1 2 391.537 2.150 20 0 GEADLO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000824255439 607461291 /nfs/dbraw/zinc/46/12/91/607461291.db2.gz JVDGBSMHWSLISF-KRWDZBQOSA-N 1 2 379.468 2.310 20 0 GEADLO CC[N@H+](Cn1cnc(C(=O)[O-])n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000737107744 600706130 /nfs/dbraw/zinc/70/61/30/600706130.db2.gz ICSCKMYEELOXCH-UHFFFAOYSA-N 1 2 387.488 2.147 20 0 GEADLO CC[N@@H+](Cn1cnc(C(=O)[O-])n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000737107744 600706131 /nfs/dbraw/zinc/70/61/31/600706131.db2.gz ICSCKMYEELOXCH-UHFFFAOYSA-N 1 2 387.488 2.147 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000826181912 607464789 /nfs/dbraw/zinc/46/47/89/607464789.db2.gz SBPZJFPQEPJBPE-KRWDZBQOSA-N 1 2 378.436 2.113 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000826181912 607464790 /nfs/dbraw/zinc/46/47/90/607464790.db2.gz SBPZJFPQEPJBPE-KRWDZBQOSA-N 1 2 378.436 2.113 20 0 GEADLO CC[C@@](C)([NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)c1nccs1 ZINC000825043397 607465945 /nfs/dbraw/zinc/46/59/45/607465945.db2.gz HAKRDCAISCYXGF-MRXNPFEDSA-N 1 2 375.458 2.387 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000825977699 601044388 /nfs/dbraw/zinc/04/43/88/601044388.db2.gz MREJLAXFMOZCEY-HKUYNNGSSA-N 1 2 387.524 2.152 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000825977699 601044391 /nfs/dbraw/zinc/04/43/91/601044391.db2.gz MREJLAXFMOZCEY-HKUYNNGSSA-N 1 2 387.524 2.152 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825977699 601044396 /nfs/dbraw/zinc/04/43/96/601044396.db2.gz MREJLAXFMOZCEY-HKUYNNGSSA-N 1 2 387.524 2.152 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000825977699 601044397 /nfs/dbraw/zinc/04/43/97/601044397.db2.gz MREJLAXFMOZCEY-HKUYNNGSSA-N 1 2 387.524 2.152 20 0 GEADLO COc1ccccc1C[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)C[C@@H]1CCCO1 ZINC000826219924 607484804 /nfs/dbraw/zinc/48/48/04/607484804.db2.gz WGOFGFHLXRPJTL-KRWDZBQOSA-N 1 2 380.452 2.452 20 0 GEADLO COc1ccccc1C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)C[C@@H]1CCCO1 ZINC000826219924 607484806 /nfs/dbraw/zinc/48/48/06/607484806.db2.gz WGOFGFHLXRPJTL-KRWDZBQOSA-N 1 2 380.452 2.452 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000830923899 601047811 /nfs/dbraw/zinc/04/78/11/601047811.db2.gz WRHJVZZJNWVWFL-UHFFFAOYSA-N 1 2 376.501 2.194 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000830923899 601047813 /nfs/dbraw/zinc/04/78/13/601047813.db2.gz WRHJVZZJNWVWFL-UHFFFAOYSA-N 1 2 376.501 2.194 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@](C)(C(=O)[O-])C3CC3)CC2)cc1 ZINC000827124023 601175317 /nfs/dbraw/zinc/17/53/17/601175317.db2.gz GGADODBCTKISTQ-JOCHJYFZSA-N 1 2 387.524 2.297 20 0 GEADLO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000825985866 607498368 /nfs/dbraw/zinc/49/83/68/607498368.db2.gz DEMFKEMYUBWVRG-MRXNPFEDSA-N 1 2 383.843 2.152 20 0 GEADLO C[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000825985866 607498369 /nfs/dbraw/zinc/49/83/69/607498369.db2.gz DEMFKEMYUBWVRG-MRXNPFEDSA-N 1 2 383.843 2.152 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000443990350 649931120 /nfs/dbraw/zinc/93/11/20/649931120.db2.gz OBRLKXRTSZXVJD-NSHDSACASA-N 1 2 385.287 2.146 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnc2ccc(Br)cc2c1O ZINC000444035306 649932255 /nfs/dbraw/zinc/93/22/55/649932255.db2.gz JJFINRLHQCBZIE-SNVBAGLBSA-N 1 2 375.226 2.306 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000826183658 607620519 /nfs/dbraw/zinc/62/05/19/607620519.db2.gz WKRGKMCOMIPZMO-UHFFFAOYSA-N 1 2 386.406 2.476 20 0 GEADLO CCc1cnc(N2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3OC)CC2)s1 ZINC000825733893 607634968 /nfs/dbraw/zinc/63/49/68/607634968.db2.gz IJKMNMXWIKKXRK-UHFFFAOYSA-N 1 2 385.497 2.216 20 0 GEADLO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C12CCC2 ZINC000825582350 607640598 /nfs/dbraw/zinc/64/05/98/607640598.db2.gz JSOGHPDSGWMZPC-UONOGXRCSA-N 1 2 388.472 2.295 20 0 GEADLO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C12CCC2 ZINC000825582350 607640599 /nfs/dbraw/zinc/64/05/99/607640599.db2.gz JSOGHPDSGWMZPC-UONOGXRCSA-N 1 2 388.472 2.295 20 0 GEADLO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(C)(C)[NH+]1CCN(C(=O)[O-])CC1 ZINC000827156980 603740431 /nfs/dbraw/zinc/74/04/31/603740431.db2.gz SNSRHMVDKGZZOF-UHFFFAOYSA-N 1 2 390.528 2.171 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000826249377 607670374 /nfs/dbraw/zinc/67/03/74/607670374.db2.gz ZSVQHLFMROXNEP-UHFFFAOYSA-N 1 2 377.383 2.430 20 0 GEADLO O=C([O-])c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c[nH]1 ZINC000833778650 604622092 /nfs/dbraw/zinc/62/20/92/604622092.db2.gz DKXNHRSNINUJGJ-QGZVFWFLSA-N 1 2 383.496 2.142 20 0 GEADLO O=C([O-])c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c[nH]1 ZINC000833778650 604622094 /nfs/dbraw/zinc/62/20/94/604622094.db2.gz DKXNHRSNINUJGJ-QGZVFWFLSA-N 1 2 383.496 2.142 20 0 GEADLO O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000248535454 604961415 /nfs/dbraw/zinc/96/14/15/604961415.db2.gz KERQWDLSNPTQLC-NXHRZFHOSA-N 1 2 391.537 2.110 20 0 GEADLO O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000248535454 604961417 /nfs/dbraw/zinc/96/14/17/604961417.db2.gz KERQWDLSNPTQLC-NXHRZFHOSA-N 1 2 391.537 2.110 20 0 GEADLO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000833627752 605135625 /nfs/dbraw/zinc/13/56/25/605135625.db2.gz ZQHRZSZSVTUCHT-RHSMWYFYSA-N 1 2 396.919 2.133 20 0 GEADLO C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000833627752 605135627 /nfs/dbraw/zinc/13/56/27/605135627.db2.gz ZQHRZSZSVTUCHT-RHSMWYFYSA-N 1 2 396.919 2.133 20 0 GEADLO O=C([O-])N1CCC[C@H]1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000834111652 605562779 /nfs/dbraw/zinc/56/27/79/605562779.db2.gz SUBPBTXKESBHLU-MOPGFXCFSA-N 1 2 387.528 2.058 20 0 GEADLO O=C([O-])N1CCC[C@H]1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000834111652 605562785 /nfs/dbraw/zinc/56/27/85/605562785.db2.gz SUBPBTXKESBHLU-MOPGFXCFSA-N 1 2 387.528 2.058 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000823229315 606019313 /nfs/dbraw/zinc/01/93/13/606019313.db2.gz LBYFJKWHUGBANJ-UHFFFAOYSA-N 1 2 389.419 2.141 20 0 GEADLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[nH]n3)c(F)c2)C1 ZINC000821628118 606027349 /nfs/dbraw/zinc/02/73/49/606027349.db2.gz AGWJGDMWRWXHAE-KRWDZBQOSA-N 1 2 398.398 2.067 20 0 GEADLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[nH]n3)c(F)c2)C1 ZINC000821628118 606027354 /nfs/dbraw/zinc/02/73/54/606027354.db2.gz AGWJGDMWRWXHAE-KRWDZBQOSA-N 1 2 398.398 2.067 20 0 GEADLO CC[N@H+](CC(=O)Nc1nc(C2CC2)no1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821164880 606099925 /nfs/dbraw/zinc/09/99/25/606099925.db2.gz LJVOTNWBRRAOQI-LLVKDONJSA-N 1 2 382.428 2.149 20 0 GEADLO CC[N@@H+](CC(=O)Nc1nc(C2CC2)no1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821164880 606099927 /nfs/dbraw/zinc/09/99/27/606099927.db2.gz LJVOTNWBRRAOQI-LLVKDONJSA-N 1 2 382.428 2.149 20 0 GEADLO Cc1cccn2cc(CCNC(=O)N(C)Cc3ccc(-c4nn[nH]n4)cc3)[nH+]c12 ZINC000822366329 606119646 /nfs/dbraw/zinc/11/96/46/606119646.db2.gz IAFMAHJBPPZBIN-UHFFFAOYSA-N 1 2 390.451 2.207 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCCN(C(=O)C(C)C)CC1 ZINC000822332299 606218589 /nfs/dbraw/zinc/21/85/89/606218589.db2.gz NFLQTBXSTYVTOJ-UHFFFAOYSA-N 1 2 379.468 2.418 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)cc1 ZINC000820192351 606245794 /nfs/dbraw/zinc/24/57/94/606245794.db2.gz KSOXNDDAEALHQT-UHFFFAOYSA-N 1 2 379.468 2.276 20 0 GEADLO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000822535106 606295863 /nfs/dbraw/zinc/29/58/63/606295863.db2.gz GQGQOMKZWAVYEG-ZDUSSCGKSA-N 1 2 395.423 2.185 20 0 GEADLO O=C1[C@@H]([N@@H+]2CCC[C@@H](C(F)(F)F)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823505029 606314916 /nfs/dbraw/zinc/31/49/16/606314916.db2.gz XCDJGEIQSDRQJK-KOLCDFICSA-N 1 2 386.403 2.308 20 0 GEADLO O=C1[C@@H]([N@H+]2CCC[C@@H](C(F)(F)F)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823505029 606314918 /nfs/dbraw/zinc/31/49/18/606314918.db2.gz XCDJGEIQSDRQJK-KOLCDFICSA-N 1 2 386.403 2.308 20 0 GEADLO O=C1[C@@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823505032 606315217 /nfs/dbraw/zinc/31/52/17/606315217.db2.gz XCDJGEIQSDRQJK-ONGXEEELSA-N 1 2 386.403 2.308 20 0 GEADLO O=C1[C@@H]([N@H+]2CCC[C@H](C(F)(F)F)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823505032 606315218 /nfs/dbraw/zinc/31/52/18/606315218.db2.gz XCDJGEIQSDRQJK-ONGXEEELSA-N 1 2 386.403 2.308 20 0 GEADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)CCc1ccccc1OC ZINC000821649737 606320293 /nfs/dbraw/zinc/32/02/93/606320293.db2.gz CGOJEJYNNDWWEX-SFHVURJKSA-N 1 2 381.436 2.264 20 0 GEADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)CCc1ccccc1OC ZINC000821649737 606320294 /nfs/dbraw/zinc/32/02/94/606320294.db2.gz CGOJEJYNNDWWEX-SFHVURJKSA-N 1 2 381.436 2.264 20 0 GEADLO O=C(C[NH2+]C1(c2nccs2)CCCC1)Nc1sccc1-c1nn[nH]n1 ZINC000823005434 606332989 /nfs/dbraw/zinc/33/29/89/606332989.db2.gz QTCMOPZRCVOJNL-UHFFFAOYSA-N 1 2 375.483 2.382 20 0 GEADLO CN1CCN(C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)c2ccccc2)CC1 ZINC000821627074 606416395 /nfs/dbraw/zinc/41/63/95/606416395.db2.gz MDKHWUHSUSMWSO-QGZVFWFLSA-N 1 2 383.525 2.007 20 0 GEADLO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+](Cc2ccccn2)CC1 ZINC000822337540 606444918 /nfs/dbraw/zinc/44/49/18/606444918.db2.gz YABNTZQDLNHSGA-UHFFFAOYSA-N 1 2 386.463 2.441 20 0 GEADLO CCN1CC[NH+]([C@H](C)CNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000821268104 606453188 /nfs/dbraw/zinc/45/31/88/606453188.db2.gz SRZFKXDIEAAMEM-GFCCVEGCSA-N 1 2 383.422 2.323 20 0 GEADLO Cc1nsc(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4c(C)cccc43)CC2)n1 ZINC000822530534 606469253 /nfs/dbraw/zinc/46/92/53/606469253.db2.gz GAZUCJRJAVWMAG-UHFFFAOYSA-N 1 2 393.480 2.210 20 0 GEADLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821000916 606487309 /nfs/dbraw/zinc/48/73/09/606487309.db2.gz LXMNXNURYUYFBX-AWEZNQCLSA-N 1 2 394.426 2.349 20 0 GEADLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821000916 606487311 /nfs/dbraw/zinc/48/73/11/606487311.db2.gz LXMNXNURYUYFBX-AWEZNQCLSA-N 1 2 394.426 2.349 20 0 GEADLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000822492522 606487550 /nfs/dbraw/zinc/48/75/50/606487550.db2.gz ZMBOAKQLVMXSTK-UHFFFAOYSA-N 1 2 377.399 2.450 20 0 GEADLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000822492522 606487552 /nfs/dbraw/zinc/48/75/52/606487552.db2.gz ZMBOAKQLVMXSTK-UHFFFAOYSA-N 1 2 377.399 2.450 20 0 GEADLO Cc1cc(N2CCN(C(=O)c3ccc(-c4nn[nH]n4)s3)CC2)nc(C(C)C)[nH+]1 ZINC000822206975 606521765 /nfs/dbraw/zinc/52/17/65/606521765.db2.gz GPOBQSJNTCBKDL-UHFFFAOYSA-N 1 2 398.496 2.112 20 0 GEADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820563832 606594600 /nfs/dbraw/zinc/59/46/00/606594600.db2.gz VWEPLMBFTPYXSY-HNNXBMFYSA-N 1 2 394.454 2.454 20 0 GEADLO CSCc1cc(F)ccc1C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821970682 606712638 /nfs/dbraw/zinc/71/26/38/606712638.db2.gz QPSZJXNWSJZFGT-INIZCTEOSA-N 1 2 386.456 2.185 20 0 GEADLO O=C(C[N@@H+]1CCc2ccccc2[C@@H]1CO)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000823002130 606720329 /nfs/dbraw/zinc/72/03/29/606720329.db2.gz TWGFBJXKYDFUGK-KRWDZBQOSA-N 1 2 398.854 2.050 20 0 GEADLO O=C(C[N@H+]1CCc2ccccc2[C@@H]1CO)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000823002130 606720331 /nfs/dbraw/zinc/72/03/31/606720331.db2.gz TWGFBJXKYDFUGK-KRWDZBQOSA-N 1 2 398.854 2.050 20 0 GEADLO CC[C@H](Nc1cccc(-c2nn[nH]n2)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000820924912 606725645 /nfs/dbraw/zinc/72/56/45/606725645.db2.gz BTNPUJGAQVKMGN-WMZOPIPTSA-N 1 2 379.468 2.353 20 0 GEADLO CC[C@H](Nc1cccc(-c2nn[nH]n2)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000820924912 606725647 /nfs/dbraw/zinc/72/56/47/606725647.db2.gz BTNPUJGAQVKMGN-WMZOPIPTSA-N 1 2 379.468 2.353 20 0 GEADLO CC(C)CC1CC[NH+](CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820067096 606752952 /nfs/dbraw/zinc/75/29/52/606752952.db2.gz CMBCKLXHTXBTKC-UHFFFAOYSA-N 1 2 377.514 2.399 20 0 GEADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000823713638 606789597 /nfs/dbraw/zinc/78/95/97/606789597.db2.gz GWEODRJFDBJSHV-KRWDZBQOSA-N 1 2 389.419 2.008 20 0 GEADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000823713638 606789598 /nfs/dbraw/zinc/78/95/98/606789598.db2.gz GWEODRJFDBJSHV-KRWDZBQOSA-N 1 2 389.419 2.008 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000819877222 606846302 /nfs/dbraw/zinc/84/63/02/606846302.db2.gz RDZOFXABHGRXAJ-GFCCVEGCSA-N 1 2 388.435 2.169 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821593685 606919342 /nfs/dbraw/zinc/91/93/42/606919342.db2.gz FJDDPKPZLVIZAY-MRXNPFEDSA-N 1 2 386.843 2.124 20 0 GEADLO C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821593685 606919344 /nfs/dbraw/zinc/91/93/44/606919344.db2.gz FJDDPKPZLVIZAY-MRXNPFEDSA-N 1 2 386.843 2.124 20 0 GEADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822294315 606919904 /nfs/dbraw/zinc/91/99/04/606919904.db2.gz WXBDELSEDRUYCE-KRWDZBQOSA-N 1 2 380.452 2.087 20 0 GEADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822294315 606919905 /nfs/dbraw/zinc/91/99/05/606919905.db2.gz WXBDELSEDRUYCE-KRWDZBQOSA-N 1 2 380.452 2.087 20 0 GEADLO Cc1nc(C2([NH2+]C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCCCCC2)no1 ZINC000822431757 606921380 /nfs/dbraw/zinc/92/13/80/606921380.db2.gz IFEGERKFJBQISZ-MRXNPFEDSA-N 1 2 383.456 2.431 20 0 GEADLO CCc1nnc(N(C)Cc2[nH+]cc(C)c(OC)c2C)c(-c2nn[nH]n2)c1CC ZINC000821520808 606925237 /nfs/dbraw/zinc/92/52/37/606925237.db2.gz ALUKZJRHXKPHSM-UHFFFAOYSA-N 1 2 382.472 2.438 20 0 GEADLO COc1ccccc1C[NH+]1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000821899379 606967925 /nfs/dbraw/zinc/96/79/25/606967925.db2.gz YARFMPZZVXPXBO-UHFFFAOYSA-N 1 2 382.443 2.332 20 0 GEADLO Fc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc1-c1nn[nH]n1 ZINC000822772191 606970902 /nfs/dbraw/zinc/97/09/02/606970902.db2.gz SRTSDHDNLGBLKU-UHFFFAOYSA-N 1 2 379.399 2.469 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCC(=O)OC(C)(C)C)c(-c2nn[nH]n2)c1C ZINC000822540414 606984351 /nfs/dbraw/zinc/98/43/51/606984351.db2.gz APQOUYAJSJQGTD-LLVKDONJSA-N 1 2 392.460 2.067 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCC(=O)OC(C)(C)C)c(-c2nn[nH]n2)c1C ZINC000822540414 606984352 /nfs/dbraw/zinc/98/43/52/606984352.db2.gz APQOUYAJSJQGTD-LLVKDONJSA-N 1 2 392.460 2.067 20 0 GEADLO Cc1sc(NC(=O)C[N@H+](C)CCC(=O)OC(C)(C)C)c(-c2nn[nH]n2)c1C ZINC000822559227 606984663 /nfs/dbraw/zinc/98/46/63/606984663.db2.gz YTMIBNNGRWTGGY-UHFFFAOYSA-N 1 2 394.501 2.147 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+](C)CCC(=O)OC(C)(C)C)c(-c2nn[nH]n2)c1C ZINC000822559227 606984664 /nfs/dbraw/zinc/98/46/64/606984664.db2.gz YTMIBNNGRWTGGY-UHFFFAOYSA-N 1 2 394.501 2.147 20 0 GEADLO C[C@H](c1nc(C2CC2)no1)N1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000820571099 607063511 /nfs/dbraw/zinc/06/35/11/607063511.db2.gz VSKRDDZMZJDDIR-GFCCVEGCSA-N 1 2 398.446 2.145 20 0 GEADLO Fc1ccc(-c2nn[nH]n2)c(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000822757983 607067329 /nfs/dbraw/zinc/06/73/29/607067329.db2.gz INIIBYYEVDOAGG-UHFFFAOYSA-N 1 2 376.333 2.024 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](OCC(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822540440 607089447 /nfs/dbraw/zinc/08/94/47/607089447.db2.gz AVWYZDSJXDRZGL-OCCSQVGLSA-N 1 2 376.461 2.150 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](OCC(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822540440 607089448 /nfs/dbraw/zinc/08/94/48/607089448.db2.gz AVWYZDSJXDRZGL-OCCSQVGLSA-N 1 2 376.461 2.150 20 0 GEADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822497022 607092349 /nfs/dbraw/zinc/09/23/49/607092349.db2.gz WLHKNMBKIWEOFL-MRXNPFEDSA-N 1 2 391.439 2.296 20 0 GEADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822497022 607092350 /nfs/dbraw/zinc/09/23/50/607092350.db2.gz WLHKNMBKIWEOFL-MRXNPFEDSA-N 1 2 391.439 2.296 20 0 GEADLO C[C@@H]1CCN(C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000820717576 607092994 /nfs/dbraw/zinc/09/29/94/607092994.db2.gz SSYYNALLOKTPIT-RHSMWYFYSA-N 1 2 397.508 2.406 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)c1cccc(-c2nn[nH]n2)c1 ZINC000826484537 607829288 /nfs/dbraw/zinc/82/92/88/607829288.db2.gz HCEQXYKQNKVOLU-JKSUJKDBSA-N 1 2 393.538 2.000 20 0 GEADLO O=S(=O)(CC[N@H+]1CCS[C@@H]2CCCC[C@@H]21)c1cccc(-c2nn[nH]n2)c1 ZINC000826484537 607829289 /nfs/dbraw/zinc/82/92/89/607829289.db2.gz HCEQXYKQNKVOLU-JKSUJKDBSA-N 1 2 393.538 2.000 20 0 GEADLO C[C@H]1COCC[N@H+](CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C1 ZINC000825006911 607832315 /nfs/dbraw/zinc/83/23/15/607832315.db2.gz SKSLRIBWTJDIDC-GFCCVEGCSA-N 1 2 390.513 2.104 20 0 GEADLO C[C@H]1COCC[N@@H+](CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C1 ZINC000825006911 607832316 /nfs/dbraw/zinc/83/23/16/607832316.db2.gz SKSLRIBWTJDIDC-GFCCVEGCSA-N 1 2 390.513 2.104 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826028780 607855706 /nfs/dbraw/zinc/85/57/06/607855706.db2.gz HYZKKMMJSYLAAA-IUODEOHRSA-N 1 2 389.822 2.163 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826028780 607855707 /nfs/dbraw/zinc/85/57/07/607855707.db2.gz HYZKKMMJSYLAAA-IUODEOHRSA-N 1 2 389.822 2.163 20 0 GEADLO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C(=O)OC)cc1F ZINC000826158743 607983352 /nfs/dbraw/zinc/98/33/52/607983352.db2.gz ARIOJLHRMGGMCH-UHFFFAOYSA-N 1 2 399.426 2.441 20 0 GEADLO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C(=O)OC)cc1F ZINC000826158743 607983353 /nfs/dbraw/zinc/98/33/53/607983353.db2.gz ARIOJLHRMGGMCH-UHFFFAOYSA-N 1 2 399.426 2.441 20 0 GEADLO Cc1oc(NC(=O)C[NH+]2CC(Cc3ccc(F)cc3)C2)c(-c2nn[nH]n2)c1C ZINC000826341445 608037430 /nfs/dbraw/zinc/03/74/30/608037430.db2.gz HWKSUHVVIIHVSD-UHFFFAOYSA-N 1 2 384.415 2.329 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)c1 ZINC000826513511 608068378 /nfs/dbraw/zinc/06/83/78/608068378.db2.gz NLHOOGQPWPTVJR-IBGZPJMESA-N 1 2 379.420 2.211 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)c1 ZINC000826513511 608068379 /nfs/dbraw/zinc/06/83/79/608068379.db2.gz NLHOOGQPWPTVJR-IBGZPJMESA-N 1 2 379.420 2.211 20 0 GEADLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826328956 608069777 /nfs/dbraw/zinc/06/97/77/608069777.db2.gz KRFGHRGESPAXBV-SFHVURJKSA-N 1 2 375.436 2.396 20 0 GEADLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826328956 608069778 /nfs/dbraw/zinc/06/97/78/608069778.db2.gz KRFGHRGESPAXBV-SFHVURJKSA-N 1 2 375.436 2.396 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](Nc2ccc(-c3nn[nH]n3)cn2)c2ccc(Cl)cc2)C1 ZINC000826044605 608235312 /nfs/dbraw/zinc/23/53/12/608235312.db2.gz IGBPZXGPAILDTM-DOTOQJQBSA-N 1 2 385.859 2.399 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](Nc2ccc(-c3nn[nH]n3)cn2)c2ccc(Cl)cc2)C1 ZINC000826044605 608235313 /nfs/dbraw/zinc/23/53/13/608235313.db2.gz IGBPZXGPAILDTM-DOTOQJQBSA-N 1 2 385.859 2.399 20 0 GEADLO Cc1cccnc1C[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826308013 608258710 /nfs/dbraw/zinc/25/87/10/608258710.db2.gz FQMQFGYIUISCDT-UHFFFAOYSA-N 1 2 392.423 2.140 20 0 GEADLO OCC[C@H]([NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1ccccc1 ZINC000826509277 608432958 /nfs/dbraw/zinc/43/29/58/608432958.db2.gz QOZREZRIBYKWEY-INIZCTEOSA-N 1 2 377.408 2.130 20 0 GEADLO Cc1[nH+]ccn1CCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[nH]n1 ZINC000826340844 608457588 /nfs/dbraw/zinc/45/75/88/608457588.db2.gz MQXCQLNAMZFELS-UHFFFAOYSA-N 1 2 381.396 2.311 20 0 GEADLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000825760359 608514526 /nfs/dbraw/zinc/51/45/26/608514526.db2.gz WCYXVYLZLPZKMJ-UHFFFAOYSA-N 1 2 386.891 2.138 20 0 GEADLO O=S(=O)(CC[NH2+]C1(c2ccccc2F)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826485597 608536026 /nfs/dbraw/zinc/53/60/26/608536026.db2.gz WVABNRDOTFXNAQ-UHFFFAOYSA-N 1 2 387.440 2.058 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc1O ZINC000826195019 608639974 /nfs/dbraw/zinc/63/99/74/608639974.db2.gz FJSVANBJEKHMPO-UHFFFAOYSA-N 1 2 384.415 2.042 20 0 GEADLO CC[N@H+](CC(=O)OC)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825399551 608677658 /nfs/dbraw/zinc/67/76/58/608677658.db2.gz XPMIWLGXPGZMBM-UHFFFAOYSA-N 1 2 381.436 2.441 20 0 GEADLO CC[N@@H+](CC(=O)OC)Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825399551 608677660 /nfs/dbraw/zinc/67/76/60/608677660.db2.gz XPMIWLGXPGZMBM-UHFFFAOYSA-N 1 2 381.436 2.441 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000824998994 608834628 /nfs/dbraw/zinc/83/46/28/608834628.db2.gz BYYRARDEDXGXSK-LBPRGKRZSA-N 1 2 394.414 2.253 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000824998994 608834632 /nfs/dbraw/zinc/83/46/32/608834632.db2.gz BYYRARDEDXGXSK-LBPRGKRZSA-N 1 2 394.414 2.253 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000825001347 608838845 /nfs/dbraw/zinc/83/88/45/608838845.db2.gz ZQGUDKNZNMMYJB-BAABZTOOSA-N 1 2 380.431 2.020 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000825001347 608838848 /nfs/dbraw/zinc/83/88/48/608838848.db2.gz ZQGUDKNZNMMYJB-BAABZTOOSA-N 1 2 380.431 2.020 20 0 GEADLO CCCOc1cccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000825342707 608839301 /nfs/dbraw/zinc/83/93/01/608839301.db2.gz WOIDGBSDUVPKKL-HNNXBMFYSA-N 1 2 394.483 2.156 20 0 GEADLO CCCOc1cccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000825342707 608839304 /nfs/dbraw/zinc/83/93/04/608839304.db2.gz WOIDGBSDUVPKKL-HNNXBMFYSA-N 1 2 394.483 2.156 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826030002 609229845 /nfs/dbraw/zinc/22/98/45/609229845.db2.gz ZIIBEIHIHOFODM-DZGCQCFKSA-N 1 2 389.822 2.163 20 0 GEADLO O=C(CC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000826407511 609268344 /nfs/dbraw/zinc/26/83/44/609268344.db2.gz POZGIOVEJJPIBU-UHFFFAOYSA-N 1 2 376.464 2.257 20 0 GEADLO Cc1nc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cs1 ZINC000826323823 609415137 /nfs/dbraw/zinc/41/51/37/609415137.db2.gz TWQAJKMKBPPTQP-NHYWBVRUSA-N 1 2 383.481 2.478 20 0 GEADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825251849 609430091 /nfs/dbraw/zinc/43/00/91/609430091.db2.gz DRIWTPNEYMGGKC-OAHLLOKOSA-N 1 2 387.488 2.483 20 0 GEADLO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825251849 609430094 /nfs/dbraw/zinc/43/00/94/609430094.db2.gz DRIWTPNEYMGGKC-OAHLLOKOSA-N 1 2 387.488 2.483 20 0 GEADLO CCc1cc(N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)nc(C)[nH+]1 ZINC000825700787 609440395 /nfs/dbraw/zinc/44/03/95/609440395.db2.gz SLILPMQONXNLNN-MRXNPFEDSA-N 1 2 378.440 2.135 20 0 GEADLO Cc1ccnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)c1-c1nn[nH]n1 ZINC000826310813 609527097 /nfs/dbraw/zinc/52/70/97/609527097.db2.gz IXJRIXZMOBCAFP-UHFFFAOYSA-N 1 2 399.886 2.425 20 0 GEADLO Cc1nnc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)s1 ZINC000826335597 609577918 /nfs/dbraw/zinc/57/79/18/609577918.db2.gz UAWCYALIBZPCHV-UHFFFAOYSA-N 1 2 390.379 2.210 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448916010 650025721 /nfs/dbraw/zinc/02/57/21/650025721.db2.gz XEBWRQMGDZVKAJ-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448916010 650025722 /nfs/dbraw/zinc/02/57/22/650025722.db2.gz XEBWRQMGDZVKAJ-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO COC(=O)Cn1cc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000449038634 650030880 /nfs/dbraw/zinc/03/08/80/650030880.db2.gz WHJBVHPTWLOHDP-ZDUSSCGKSA-N 1 2 385.251 2.411 20 0 GEADLO COC(=O)Cn1cc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000449038634 650030881 /nfs/dbraw/zinc/03/08/81/650030881.db2.gz WHJBVHPTWLOHDP-ZDUSSCGKSA-N 1 2 385.251 2.411 20 0 GEADLO C[C@H](C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449335532 650038993 /nfs/dbraw/zinc/03/89/93/650038993.db2.gz JHBSWLWRYNOORS-WBVHZDCISA-N 1 2 387.567 2.483 20 0 GEADLO C[C@H](C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449335532 650038995 /nfs/dbraw/zinc/03/89/95/650038995.db2.gz JHBSWLWRYNOORS-WBVHZDCISA-N 1 2 387.567 2.483 20 0 GEADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc2scc(Br)c2c1 ZINC000450190324 650061744 /nfs/dbraw/zinc/06/17/44/650061744.db2.gz ZHPQKPXJQGMVPF-LBPRGKRZSA-N 1 2 380.311 2.393 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1Cl ZINC000450500174 650066138 /nfs/dbraw/zinc/06/61/38/650066138.db2.gz MJKYIAISLWUKRX-CQSZACIVSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1Cl ZINC000450500174 650066139 /nfs/dbraw/zinc/06/61/39/650066139.db2.gz MJKYIAISLWUKRX-CQSZACIVSA-N 1 2 386.901 2.127 20 0 GEADLO Cc1nc(N(C)C)nc(NC[C@H](CO)Cc2cccc(Br)c2C)[nH+]1 ZINC000450889903 650074186 /nfs/dbraw/zinc/07/41/86/650074186.db2.gz SOOWLFSNRUMFEY-CYBMUJFWSA-N 1 2 394.317 2.580 20 0 GEADLO C[C@@H]1CN(C(=O)c2c(Cl)cc(F)cc2Br)CC[N@@H+]1CCO ZINC000451066016 650083131 /nfs/dbraw/zinc/08/31/31/650083131.db2.gz MKLQPYRFNAKPSK-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H]1CN(C(=O)c2c(Cl)cc(F)cc2Br)CC[N@H+]1CCO ZINC000451066016 650083135 /nfs/dbraw/zinc/08/31/35/650083135.db2.gz MKLQPYRFNAKPSK-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO Cc1ccc(Br)c(OCC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000451068410 650083290 /nfs/dbraw/zinc/08/32/90/650083290.db2.gz BVSJDXGFKRMKSS-UHFFFAOYSA-N 1 2 385.302 2.363 20 0 GEADLO O=S(=O)(CCOCc1ccccc1)NCC[N@@H+]1CCc2sccc2C1 ZINC000451106411 650087396 /nfs/dbraw/zinc/08/73/96/650087396.db2.gz PMHMBNPZVFLOJL-UHFFFAOYSA-N 1 2 380.535 2.242 20 0 GEADLO O=S(=O)(CCOCc1ccccc1)NCC[N@H+]1CCc2sccc2C1 ZINC000451106411 650087400 /nfs/dbraw/zinc/08/74/00/650087400.db2.gz PMHMBNPZVFLOJL-UHFFFAOYSA-N 1 2 380.535 2.242 20 0 GEADLO Cc1ccc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c(S(C)(=O)=O)c1 ZINC000451107416 650087439 /nfs/dbraw/zinc/08/74/39/650087439.db2.gz RBMMWFVQDGTLFS-UHFFFAOYSA-N 1 2 382.507 2.261 20 0 GEADLO O=C(C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1)NC(=O)NC1CC1 ZINC000451295301 650101851 /nfs/dbraw/zinc/10/18/51/650101851.db2.gz MHJDKRAEJVRMAE-UHFFFAOYSA-N 1 2 376.404 2.330 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)CC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000451457961 650116353 /nfs/dbraw/zinc/11/63/53/650116353.db2.gz MLZSDESLPCJSIP-SUMWQHHRSA-N 1 2 387.318 2.144 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)CC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000451457961 650116356 /nfs/dbraw/zinc/11/63/56/650116356.db2.gz MLZSDESLPCJSIP-SUMWQHHRSA-N 1 2 387.318 2.144 20 0 GEADLO CNC(=O)Cc1noc(C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)n1 ZINC000451561025 650125294 /nfs/dbraw/zinc/12/52/94/650125294.db2.gz BFHKJXGWQDVNLN-LBPRGKRZSA-N 1 2 379.258 2.110 20 0 GEADLO CNC(=O)Cc1noc(C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)n1 ZINC000451561025 650125295 /nfs/dbraw/zinc/12/52/95/650125295.db2.gz BFHKJXGWQDVNLN-LBPRGKRZSA-N 1 2 379.258 2.110 20 0 GEADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451575367 650127046 /nfs/dbraw/zinc/12/70/46/650127046.db2.gz XNDXDJJUHUBOEQ-TZMCWYRMSA-N 1 2 398.301 2.099 20 0 GEADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451575367 650127047 /nfs/dbraw/zinc/12/70/47/650127047.db2.gz XNDXDJJUHUBOEQ-TZMCWYRMSA-N 1 2 398.301 2.099 20 0 GEADLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000451883646 650149900 /nfs/dbraw/zinc/14/99/00/650149900.db2.gz VHPMGIITJLVFTK-NEPJUHHUSA-N 1 2 375.357 2.356 20 0 GEADLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000451883646 650149902 /nfs/dbraw/zinc/14/99/02/650149902.db2.gz VHPMGIITJLVFTK-NEPJUHHUSA-N 1 2 375.357 2.356 20 0 GEADLO COC[C@@]1(CO)CC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000451934656 650155279 /nfs/dbraw/zinc/15/52/79/650155279.db2.gz VOYXFKLBYVFQGB-KRWDZBQOSA-N 1 2 396.285 2.254 20 0 GEADLO COC[C@@]1(CO)CC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000451934656 650155280 /nfs/dbraw/zinc/15/52/80/650155280.db2.gz VOYXFKLBYVFQGB-KRWDZBQOSA-N 1 2 396.285 2.254 20 0 GEADLO COC[C@@](C)(O)CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000452340425 650179933 /nfs/dbraw/zinc/17/99/33/650179933.db2.gz IJKCRVCZVIOQIC-AEFFLSMTSA-N 1 2 399.329 2.490 20 0 GEADLO Cc1cc(Br)c(CNc2ccn(CC[NH+]3CCOCC3)n2)s1 ZINC000453574095 650209322 /nfs/dbraw/zinc/20/93/22/650209322.db2.gz QPFVRHIUZWBIET-UHFFFAOYSA-N 1 2 385.331 2.960 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1cc(F)cc(F)c1F ZINC000455588175 650308382 /nfs/dbraw/zinc/30/83/82/650308382.db2.gz NYJYTOLDFRGKNT-MRXNPFEDSA-N 1 2 375.416 2.433 20 0 GEADLO O=C(Cc1c(F)ccc(Br)c1F)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456199599 650333438 /nfs/dbraw/zinc/33/34/38/650333438.db2.gz HHEMMHRMHWJKCW-PHIMTYICSA-N 1 2 389.240 2.249 20 0 GEADLO O=C(Cc1c(F)ccc(Br)c1F)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456199599 650333440 /nfs/dbraw/zinc/33/34/40/650333440.db2.gz HHEMMHRMHWJKCW-PHIMTYICSA-N 1 2 389.240 2.249 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456714259 650357498 /nfs/dbraw/zinc/35/74/98/650357498.db2.gz JJTGORRKQZUVHW-ZDUSSCGKSA-N 1 2 398.276 2.222 20 0 GEADLO C[C@H]([NH2+]Cc1c(F)ccc(I)c1F)C(=O)NCCF ZINC000500421880 650376418 /nfs/dbraw/zinc/37/64/18/650376418.db2.gz HYZUPZFLUSDHFE-ZETCQYMHSA-N 1 2 386.155 2.133 20 0 GEADLO C[C@@H]([NH2+]Cc1c(F)ccc(I)c1F)C(=O)NCCF ZINC000500421879 650376470 /nfs/dbraw/zinc/37/64/70/650376470.db2.gz HYZUPZFLUSDHFE-SSDOTTSWSA-N 1 2 386.155 2.133 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)c1 ZINC000457877583 650387993 /nfs/dbraw/zinc/38/79/93/650387993.db2.gz VLRRZRWKKRFMFM-UHFFFAOYSA-N 1 2 379.251 2.339 20 0 GEADLO C[C@@]1(F)CC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000501391774 650390871 /nfs/dbraw/zinc/39/08/71/650390871.db2.gz HVNOXNKDNUYZCS-MRXNPFEDSA-N 1 2 375.275 2.471 20 0 GEADLO C[C@@]1(F)CC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000501391774 650390875 /nfs/dbraw/zinc/39/08/75/650390875.db2.gz HVNOXNKDNUYZCS-MRXNPFEDSA-N 1 2 375.275 2.471 20 0 GEADLO C[C@@H](NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000502275343 650404526 /nfs/dbraw/zinc/40/45/26/650404526.db2.gz WFJQNRCKEVHLDC-GHMZBOCLSA-N 1 2 381.263 2.498 20 0 GEADLO CC[C@H](NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)[C@H](C)O ZINC000458685824 650407539 /nfs/dbraw/zinc/40/75/39/650407539.db2.gz ZCIKVYSIJKRCLL-FZMZJTMJSA-N 1 2 383.290 2.406 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCCc2cccc(Br)c2)CCO1 ZINC000459155310 650419965 /nfs/dbraw/zinc/41/99/65/650419965.db2.gz VNHYLORNVYRQTQ-MRXNPFEDSA-N 1 2 384.318 2.402 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCc2cccc(Br)c2)CCO1 ZINC000459155310 650419969 /nfs/dbraw/zinc/41/99/69/650419969.db2.gz VNHYLORNVYRQTQ-MRXNPFEDSA-N 1 2 384.318 2.402 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000459355742 650423158 /nfs/dbraw/zinc/42/31/58/650423158.db2.gz UQPYQZKBTMNIPS-UHFFFAOYSA-N 1 2 391.331 2.401 20 0 GEADLO COC(=O)c1ccc(N2CC[NH+](CC[S@](=O)c3ccccc3)CC2)s1 ZINC000459510017 650426704 /nfs/dbraw/zinc/42/67/04/650426704.db2.gz LLNAMMLEPHIPKW-VWLOTQADSA-N 1 2 378.519 2.465 20 0 GEADLO CCOc1cc(C[NH2+]Cc2nnnn2CC2CC2)cc(Br)c1O ZINC000459538018 650427717 /nfs/dbraw/zinc/42/77/17/650427717.db2.gz RWPBVROKMKSORT-UHFFFAOYSA-N 1 2 382.262 2.240 20 0 GEADLO CN(C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2Br)C1)S(C)(=O)=O ZINC000459547002 650428140 /nfs/dbraw/zinc/42/81/40/650428140.db2.gz VDDJJYJTTIINDP-LBPRGKRZSA-N 1 2 391.331 2.258 20 0 GEADLO CCOc1cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc(Br)c1OC(F)F ZINC000459705815 650430178 /nfs/dbraw/zinc/43/01/78/650430178.db2.gz NGCHAMQHHNLVIC-JQWIXIFHSA-N 1 2 396.228 2.234 20 0 GEADLO CCOc1cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)cc(Br)c1OC(F)F ZINC000459705815 650430181 /nfs/dbraw/zinc/43/01/81/650430181.db2.gz NGCHAMQHHNLVIC-JQWIXIFHSA-N 1 2 396.228 2.234 20 0 GEADLO OC[C@@H]1C[N@H+](Cc2cc(Br)ccc2OCc2ccccn2)C[C@H]1O ZINC000459716816 650431336 /nfs/dbraw/zinc/43/13/36/650431336.db2.gz VZGXPDMOKYJMAS-WMLDXEAASA-N 1 2 393.281 2.208 20 0 GEADLO OC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)C[C@H]1O ZINC000459716816 650431339 /nfs/dbraw/zinc/43/13/39/650431339.db2.gz VZGXPDMOKYJMAS-WMLDXEAASA-N 1 2 393.281 2.208 20 0 GEADLO Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cc1NS(=O)(=O)c1ccccc1 ZINC000506660025 650448476 /nfs/dbraw/zinc/44/84/76/650448476.db2.gz HMAYZWZBQYMRMI-INIZCTEOSA-N 1 2 377.491 2.397 20 0 GEADLO Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000507961743 650470669 /nfs/dbraw/zinc/47/06/69/650470669.db2.gz MJUCGQDJTMYMQB-NSHDSACASA-N 1 2 398.330 2.217 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(I)cc2)[C@@H](C)C[N@@H+]1C ZINC000507966435 650470847 /nfs/dbraw/zinc/47/08/47/650470847.db2.gz MUQAHQVRXVZHOT-MNOVXSKESA-N 1 2 394.278 2.004 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(I)cc2)[C@@H](C)C[N@H+]1C ZINC000507966435 650470849 /nfs/dbraw/zinc/47/08/49/650470849.db2.gz MUQAHQVRXVZHOT-MNOVXSKESA-N 1 2 394.278 2.004 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1Br ZINC000507950775 650470308 /nfs/dbraw/zinc/47/03/08/650470308.db2.gz QZWQWSFXBLPJAB-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1Br ZINC000507950775 650470311 /nfs/dbraw/zinc/47/03/11/650470311.db2.gz QZWQWSFXBLPJAB-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000462468829 650480969 /nfs/dbraw/zinc/48/09/69/650480969.db2.gz PEPFQRVWKVNSQT-CQSZACIVSA-N 1 2 386.857 2.301 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2C1 ZINC000509227864 650490721 /nfs/dbraw/zinc/49/07/21/650490721.db2.gz UKLVBGPATVZOEU-UHFFFAOYSA-N 1 2 379.247 2.484 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2C1 ZINC000509227864 650490722 /nfs/dbraw/zinc/49/07/22/650490722.db2.gz UKLVBGPATVZOEU-UHFFFAOYSA-N 1 2 379.247 2.484 20 0 GEADLO CC(C)(CNS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000463411702 650495129 /nfs/dbraw/zinc/49/51/29/650495129.db2.gz GBCDPAIDZLRDSH-UHFFFAOYSA-N 1 2 392.924 2.398 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000510035645 650505546 /nfs/dbraw/zinc/50/55/46/650505546.db2.gz ODMJCVZPMCKVRT-ZJUUUORDSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000510035645 650505550 /nfs/dbraw/zinc/50/55/50/650505550.db2.gz ODMJCVZPMCKVRT-ZJUUUORDSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cs1 ZINC000510490397 650512334 /nfs/dbraw/zinc/51/23/34/650512334.db2.gz LFJRTPFWNLFWJM-UHFFFAOYSA-N 1 2 380.491 2.040 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cs1 ZINC000510490397 650512338 /nfs/dbraw/zinc/51/23/38/650512338.db2.gz LFJRTPFWNLFWJM-UHFFFAOYSA-N 1 2 380.491 2.040 20 0 GEADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510901778 650520928 /nfs/dbraw/zinc/52/09/28/650520928.db2.gz ISYMGGIIDDWXBQ-MNOVXSKESA-N 1 2 378.420 2.251 20 0 GEADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510901778 650520930 /nfs/dbraw/zinc/52/09/30/650520930.db2.gz ISYMGGIIDDWXBQ-MNOVXSKESA-N 1 2 378.420 2.251 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)N[C@H](CO)c2c(Cl)cccc2Cl)CCO1 ZINC000474253981 650528955 /nfs/dbraw/zinc/52/89/55/650528955.db2.gz FGFSPENPQMNYJZ-CQSZACIVSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)N[C@H](CO)c2c(Cl)cccc2Cl)CCO1 ZINC000474253981 650528962 /nfs/dbraw/zinc/52/89/62/650528962.db2.gz FGFSPENPQMNYJZ-CQSZACIVSA-N 1 2 390.311 2.437 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2OC)[C@H](C)C1 ZINC000511222298 650529713 /nfs/dbraw/zinc/52/97/13/650529713.db2.gz OCEFXOPCSNWHLA-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2OC)[C@H](C)C1 ZINC000511222298 650529716 /nfs/dbraw/zinc/52/97/16/650529716.db2.gz OCEFXOPCSNWHLA-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)[C@H](C)C1 ZINC000511310964 650533125 /nfs/dbraw/zinc/53/31/25/650533125.db2.gz YOGHCVFJUSMGED-ZIAGYGMSSA-N 1 2 390.933 2.468 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)[C@H](C)C1 ZINC000511310964 650533126 /nfs/dbraw/zinc/53/31/26/650533126.db2.gz YOGHCVFJUSMGED-ZIAGYGMSSA-N 1 2 390.933 2.468 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)[C@H](C)C1 ZINC000511334501 650534097 /nfs/dbraw/zinc/53/40/97/650534097.db2.gz PHCOCOYGUBRFFY-GFCCVEGCSA-N 1 2 390.347 2.230 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)[C@H](C)C1 ZINC000511334501 650534099 /nfs/dbraw/zinc/53/40/99/650534099.db2.gz PHCOCOYGUBRFFY-GFCCVEGCSA-N 1 2 390.347 2.230 20 0 GEADLO Cc1cc(N2CCC[C@@H]([N@@H+](C)[C@@H]3CCN(C)C3=O)C2=O)ccc1Br ZINC000511593899 650539016 /nfs/dbraw/zinc/53/90/16/650539016.db2.gz MPOUWNLMTAAHQR-HZPDHXFCSA-N 1 2 394.313 2.415 20 0 GEADLO Cc1cc(N2CCC[C@@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2=O)ccc1Br ZINC000511593899 650539019 /nfs/dbraw/zinc/53/90/19/650539019.db2.gz MPOUWNLMTAAHQR-HZPDHXFCSA-N 1 2 394.313 2.415 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@@H+](C)[C@H]3CCN(C)C3=O)C2=O)ccc1Br ZINC000511593896 650539193 /nfs/dbraw/zinc/53/91/93/650539193.db2.gz MPOUWNLMTAAHQR-HOTGVXAUSA-N 1 2 394.313 2.415 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2=O)ccc1Br ZINC000511593896 650539195 /nfs/dbraw/zinc/53/91/95/650539195.db2.gz MPOUWNLMTAAHQR-HOTGVXAUSA-N 1 2 394.313 2.415 20 0 GEADLO O=C1CC[C@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN12 ZINC000512419916 650548036 /nfs/dbraw/zinc/54/80/36/650548036.db2.gz FCGLNQGNRKDOJP-INIZCTEOSA-N 1 2 375.270 2.441 20 0 GEADLO O=C1CC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN12 ZINC000512419916 650548041 /nfs/dbraw/zinc/54/80/41/650548041.db2.gz FCGLNQGNRKDOJP-INIZCTEOSA-N 1 2 375.270 2.441 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512428082 650548543 /nfs/dbraw/zinc/54/85/43/650548543.db2.gz PAIJLRPWJROWLG-XYPHTWIQSA-N 1 2 397.313 2.458 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000476541471 650553336 /nfs/dbraw/zinc/55/33/36/650553336.db2.gz UQLADEWLFRBRSP-KGLIPLIRSA-N 1 2 390.933 2.468 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000476541471 650553337 /nfs/dbraw/zinc/55/33/37/650553337.db2.gz UQLADEWLFRBRSP-KGLIPLIRSA-N 1 2 390.933 2.468 20 0 GEADLO OCCNc1nc(NCCc2ccc(Br)cc2)[nH+]c2ccccc21 ZINC000514754568 650578342 /nfs/dbraw/zinc/57/83/42/650578342.db2.gz XNLYWRURANKBMD-UHFFFAOYSA-N 1 2 387.281 2.295 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cncc(Br)c2)C1)C1CC1 ZINC000515015776 650584720 /nfs/dbraw/zinc/58/47/20/650584720.db2.gz XVVGAYXPDKKRHY-LBPRGKRZSA-N 1 2 388.331 2.138 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cncc(Br)c2)C1)C1CC1 ZINC000515015776 650584721 /nfs/dbraw/zinc/58/47/21/650584721.db2.gz XVVGAYXPDKKRHY-LBPRGKRZSA-N 1 2 388.331 2.138 20 0 GEADLO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1=O ZINC000516516662 650598215 /nfs/dbraw/zinc/59/82/15/650598215.db2.gz XYBHMNMJULEZNP-BFQNTYOBSA-N 1 2 390.285 2.129 20 0 GEADLO C[C@]([NH3+])(C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)cc1 ZINC000518529640 650605528 /nfs/dbraw/zinc/60/55/28/650605528.db2.gz PYNQFGURVSYPRC-QLJPJBMISA-N 1 2 395.257 2.118 20 0 GEADLO COCc1cnc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)s1 ZINC000479609123 650607541 /nfs/dbraw/zinc/60/75/41/650607541.db2.gz QMLZRURMCFAEFF-UHFFFAOYSA-N 1 2 385.486 2.258 20 0 GEADLO COc1c(C)c[nH+]c(CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c1C ZINC000522254237 650624001 /nfs/dbraw/zinc/62/40/01/650624001.db2.gz NTPOOZZGKCYPPJ-LBPRGKRZSA-N 1 2 383.495 2.360 20 0 GEADLO Cc1cccc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1I ZINC000523054306 650631249 /nfs/dbraw/zinc/63/12/49/650631249.db2.gz MGPYZBLPIKHATF-GFCCVEGCSA-N 1 2 388.249 2.050 20 0 GEADLO Cc1cccc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)c1I ZINC000523054306 650631251 /nfs/dbraw/zinc/63/12/51/650631251.db2.gz MGPYZBLPIKHATF-GFCCVEGCSA-N 1 2 388.249 2.050 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000524600937 650643522 /nfs/dbraw/zinc/64/35/22/650643522.db2.gz XNJMYLBEAVLCAU-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000524600937 650643524 /nfs/dbraw/zinc/64/35/24/650643524.db2.gz XNJMYLBEAVLCAU-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000525400756 650654388 /nfs/dbraw/zinc/65/43/88/650654388.db2.gz YTKOLVINNIWNCU-GOEBONIOSA-N 1 2 387.571 2.207 20 0 GEADLO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1CCn2cc[nH+]c2C1 ZINC000526220538 650664377 /nfs/dbraw/zinc/66/43/77/650664377.db2.gz QFHRYTKWBWHOOH-LBPRGKRZSA-N 1 2 392.253 2.091 20 0 GEADLO CN1c2cc(Br)ccc2N(C[C@H](O)C[NH+]2CCOCC2)CC1(C)C ZINC000482965575 650671938 /nfs/dbraw/zinc/67/19/38/650671938.db2.gz SRZQAJQTELADFQ-OAHLLOKOSA-N 1 2 398.345 2.177 20 0 GEADLO CCn1nncc1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000527918647 650683034 /nfs/dbraw/zinc/68/30/34/650683034.db2.gz CIBRJZPONQJEDO-ZDUSSCGKSA-N 1 2 385.287 2.069 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000528534667 650694858 /nfs/dbraw/zinc/69/48/58/650694858.db2.gz DWYLZKQVAZIHPF-UHFFFAOYSA-N 1 2 388.917 2.224 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000529911315 650709238 /nfs/dbraw/zinc/70/92/38/650709238.db2.gz OINJSOASDRCRFZ-UHFFFAOYSA-N 1 2 383.286 2.482 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000530031212 650710689 /nfs/dbraw/zinc/71/06/89/650710689.db2.gz CHUSGNIKEGGUHB-RISCZKNCSA-N 1 2 379.309 2.147 20 0 GEADLO C[C@]1(c2ccc(Br)cc2)C[C@]12NC(=O)N(CCn1cc[nH+]c1)C2=O ZINC000530190965 650717222 /nfs/dbraw/zinc/71/72/22/650717222.db2.gz WYEAKDAAOCRDME-IAGOWNOFSA-N 1 2 389.253 2.298 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Cc2c[nH]c3cc(Br)ccc23)CCO1 ZINC000531699278 650742946 /nfs/dbraw/zinc/74/29/46/650742946.db2.gz SFNZMLVFEOLKCD-LBPRGKRZSA-N 1 2 380.286 2.310 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Cc2c[nH]c3cc(Br)ccc23)CCO1 ZINC000531699278 650742950 /nfs/dbraw/zinc/74/29/50/650742950.db2.gz SFNZMLVFEOLKCD-LBPRGKRZSA-N 1 2 380.286 2.310 20 0 GEADLO C[C@H]1C[C@H]1C[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000488357708 650745020 /nfs/dbraw/zinc/74/50/20/650745020.db2.gz QAHPHRKDDJWWMQ-QWRGUYRKSA-N 1 2 379.345 2.473 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccc(Br)o3)cc2C1 ZINC000011990195 642371676 /nfs/dbraw/zinc/37/16/76/642371676.db2.gz GTEMMOZBOSSZQN-UHFFFAOYSA-N 1 2 378.226 2.138 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccc(Br)o3)cc2C1 ZINC000011990195 642371679 /nfs/dbraw/zinc/37/16/79/642371679.db2.gz GTEMMOZBOSSZQN-UHFFFAOYSA-N 1 2 378.226 2.138 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000012953292 642374035 /nfs/dbraw/zinc/37/40/35/642374035.db2.gz JHUIPMDLWALJQT-AWEZNQCLSA-N 1 2 389.901 2.257 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000012953292 642374037 /nfs/dbraw/zinc/37/40/37/642374037.db2.gz JHUIPMDLWALJQT-AWEZNQCLSA-N 1 2 389.901 2.257 20 0 GEADLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC000025795633 642427988 /nfs/dbraw/zinc/42/79/88/642427988.db2.gz KERLMAWWZCJYIY-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)Nc1cccnc1Cl ZINC000025795633 642427991 /nfs/dbraw/zinc/42/79/91/642427991.db2.gz KERLMAWWZCJYIY-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO COc1ccccc1Nc1nnc(SCC(=O)N2CC[NH+](C)CC2)s1 ZINC000025784356 642428055 /nfs/dbraw/zinc/42/80/55/642428055.db2.gz RIFKXWCXGNXVOX-UHFFFAOYSA-N 1 2 379.511 2.156 20 0 GEADLO O=S(=O)(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cncc(Cl)c1 ZINC000532856519 650754240 /nfs/dbraw/zinc/75/42/40/650754240.db2.gz SFIDTSDRRCQCAU-UHFFFAOYSA-N 1 2 387.933 2.296 20 0 GEADLO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000028081484 642445058 /nfs/dbraw/zinc/44/50/58/642445058.db2.gz YIRDTTQUASFJGD-UHFFFAOYSA-N 1 2 387.267 2.194 20 0 GEADLO C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000028081484 642445063 /nfs/dbraw/zinc/44/50/63/642445063.db2.gz YIRDTTQUASFJGD-UHFFFAOYSA-N 1 2 387.267 2.194 20 0 GEADLO C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031936181 642492564 /nfs/dbraw/zinc/49/25/64/642492564.db2.gz PHZXXVJUDKHMRP-RDTXWAMCSA-N 1 2 384.929 2.431 20 0 GEADLO O=S(=O)(NCC[NH+]1CCCCC1)c1cc(F)c(Br)cc1F ZINC000034193965 642505518 /nfs/dbraw/zinc/50/55/18/642505518.db2.gz MZCVGHIDQYKCLP-UHFFFAOYSA-N 1 2 383.258 2.492 20 0 GEADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCOCC1 ZINC000041280825 642528256 /nfs/dbraw/zinc/52/82/56/642528256.db2.gz FWYOZTDPLBNBOE-HNNXBMFYSA-N 1 2 388.295 2.405 20 0 GEADLO S=C(NCCSc1ccccc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000041746059 642531677 /nfs/dbraw/zinc/53/16/77/642531677.db2.gz XDGHRFKWHDPYDB-SFHVURJKSA-N 1 2 397.635 2.451 20 0 GEADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccc(Br)s1 ZINC000042385670 642552306 /nfs/dbraw/zinc/55/23/06/642552306.db2.gz NNIJXXCEODEEHD-GHMZBOCLSA-N 1 2 388.331 2.055 20 0 GEADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000042385670 642552309 /nfs/dbraw/zinc/55/23/09/642552309.db2.gz NNIJXXCEODEEHD-GHMZBOCLSA-N 1 2 388.331 2.055 20 0 GEADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)Cc1ccc(Br)s1 ZINC000042385682 642552391 /nfs/dbraw/zinc/55/23/91/642552391.db2.gz VKQUJQZTIQQSOC-SNVBAGLBSA-N 1 2 388.331 2.068 20 0 GEADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000042385682 642552395 /nfs/dbraw/zinc/55/23/95/642552395.db2.gz VKQUJQZTIQQSOC-SNVBAGLBSA-N 1 2 388.331 2.068 20 0 GEADLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000042641481 642554342 /nfs/dbraw/zinc/55/43/42/642554342.db2.gz GAHHONBMDAIHAR-CQSZACIVSA-N 1 2 387.571 2.042 20 0 GEADLO Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](C)[NH+]2CCSCC2)cc1 ZINC000533547807 650761976 /nfs/dbraw/zinc/76/19/76/650761976.db2.gz CWCRFCUXNDIZEP-GOEBONIOSA-N 1 2 379.551 2.272 20 0 GEADLO O=S(=O)(NCCCCn1cc[nH+]c1)c1cc(Br)cnc1Cl ZINC000044353337 642576869 /nfs/dbraw/zinc/57/68/69/642576869.db2.gz OGRNINBAWXQYOQ-UHFFFAOYSA-N 1 2 393.694 2.453 20 0 GEADLO O=C(NCCn1cc[nH+]c1)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000533578571 650762894 /nfs/dbraw/zinc/76/28/94/650762894.db2.gz RGVVUPGPFVRPSS-MRXNPFEDSA-N 1 2 383.279 2.380 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052694856 642725130 /nfs/dbraw/zinc/72/51/30/642725130.db2.gz PHLBZQCWVCWOJE-ZIAGYGMSSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052694856 642725138 /nfs/dbraw/zinc/72/51/38/642725138.db2.gz PHLBZQCWVCWOJE-ZIAGYGMSSA-N 1 2 387.933 2.237 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)c1cccc2nsnc21 ZINC000053685886 642735206 /nfs/dbraw/zinc/73/52/06/642735206.db2.gz QNTNQRIUGGIWMY-UHFFFAOYSA-N 1 2 380.520 2.089 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2sccc2C1)c1cccc2nsnc21 ZINC000053685886 642735211 /nfs/dbraw/zinc/73/52/11/642735211.db2.gz QNTNQRIUGGIWMY-UHFFFAOYSA-N 1 2 380.520 2.089 20 0 GEADLO Cc1c(C(=O)NCCCn2cc[nH+]c2)nnn1-c1cccc(Br)c1 ZINC000054852467 642762502 /nfs/dbraw/zinc/76/25/02/642762502.db2.gz QAZMYYKOVNVAOG-UHFFFAOYSA-N 1 2 389.257 2.355 20 0 GEADLO O=C(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000056511941 642795174 /nfs/dbraw/zinc/79/51/74/642795174.db2.gz WMDNMFYKYBKEQI-CYBMUJFWSA-N 1 2 383.279 2.009 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000063293882 642856316 /nfs/dbraw/zinc/85/63/16/642856316.db2.gz MBGIOUDKWGWQRZ-LBPRGKRZSA-N 1 2 387.267 2.319 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C[C@H]12 ZINC000492781264 650791771 /nfs/dbraw/zinc/79/17/71/650791771.db2.gz BGLQEJNBWBQBSD-CQSZACIVSA-N 1 2 390.237 2.445 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C[C@H]12 ZINC000492781264 650791778 /nfs/dbraw/zinc/79/17/78/650791778.db2.gz BGLQEJNBWBQBSD-CQSZACIVSA-N 1 2 390.237 2.445 20 0 GEADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1nc2ncc(Br)cn2n1 ZINC000065633370 642882571 /nfs/dbraw/zinc/88/25/71/642882571.db2.gz GBLKFTVPLQTGRG-UHFFFAOYSA-N 1 2 384.197 2.325 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000493764209 650796710 /nfs/dbraw/zinc/79/67/10/650796710.db2.gz JMRTVPZAGFSMMB-UHFFFAOYSA-N 1 2 391.269 2.089 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000066880723 642944703 /nfs/dbraw/zinc/94/47/03/642944703.db2.gz UBIMMGBIOJPBMG-ZDUSSCGKSA-N 1 2 387.933 2.413 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000067920496 642981162 /nfs/dbraw/zinc/98/11/62/642981162.db2.gz MBGIOUDKWGWQRZ-GFCCVEGCSA-N 1 2 387.267 2.319 20 0 GEADLO C/C(=C/C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1Cl ZINC000068508155 643004516 /nfs/dbraw/zinc/00/45/16/643004516.db2.gz DDWJLUQIMBGKIE-YPKPFQOOSA-N 1 2 384.929 2.369 20 0 GEADLO O=C(c1ccc(Br)cc1O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069971074 643046313 /nfs/dbraw/zinc/04/63/13/643046313.db2.gz RAGAFOKBAWNGFN-CYBMUJFWSA-N 1 2 383.286 2.339 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000494533503 650810462 /nfs/dbraw/zinc/81/04/62/650810462.db2.gz WKRHDTVEHCYKDB-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO CN(C)c1ncc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)s1 ZINC000092453943 643071075 /nfs/dbraw/zinc/07/10/75/643071075.db2.gz CTVDLZHNIOBGSN-UHFFFAOYSA-N 1 2 380.539 2.106 20 0 GEADLO CN(C)c1ncc(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)s1 ZINC000092453943 643071081 /nfs/dbraw/zinc/07/10/81/643071081.db2.gz CTVDLZHNIOBGSN-UHFFFAOYSA-N 1 2 380.539 2.106 20 0 GEADLO CN(Cc1cc(Cl)ccc1Br)C[C@H](O)C[NH+]1CCOCC1 ZINC000093583333 643078593 /nfs/dbraw/zinc/07/85/93/643078593.db2.gz MQIHTKRDOQTJEJ-AWEZNQCLSA-N 1 2 377.710 2.227 20 0 GEADLO C[N@@H+](Cc1cc(Cl)ccc1Br)C[C@H](O)CN1CCOCC1 ZINC000093583333 643078607 /nfs/dbraw/zinc/07/86/07/643078607.db2.gz MQIHTKRDOQTJEJ-AWEZNQCLSA-N 1 2 377.710 2.227 20 0 GEADLO C[N@H+](Cc1cc(Cl)ccc1Br)C[C@H](O)CN1CCOCC1 ZINC000093583333 643078613 /nfs/dbraw/zinc/07/86/13/643078613.db2.gz MQIHTKRDOQTJEJ-AWEZNQCLSA-N 1 2 377.710 2.227 20 0 GEADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)c3occc3Br)ccn2)CC1 ZINC000537322450 650812960 /nfs/dbraw/zinc/81/29/60/650812960.db2.gz MXOUMYCKBSRFOS-UHFFFAOYSA-N 1 2 393.241 2.077 20 0 GEADLO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](C)c1nncn1C ZINC000494792854 650816524 /nfs/dbraw/zinc/81/65/24/650816524.db2.gz SHTIGCSJWPAOIP-SNVBAGLBSA-N 1 2 399.236 2.017 20 0 GEADLO CS(=O)(=O)c1ccc(Br)c(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000103430605 643164928 /nfs/dbraw/zinc/16/49/28/643164928.db2.gz MSWXWNGWHKRANQ-UHFFFAOYSA-N 1 2 389.315 2.068 20 0 GEADLO CCOc1ccc(Br)cc1C[N@H+](CC(=O)N1CCNC1=O)C1CC1 ZINC000103491490 643168502 /nfs/dbraw/zinc/16/85/02/643168502.db2.gz YGVXXWZGYJACGH-UHFFFAOYSA-N 1 2 396.285 2.364 20 0 GEADLO CCOc1ccc(Br)cc1C[N@@H+](CC(=O)N1CCNC1=O)C1CC1 ZINC000103491490 643168506 /nfs/dbraw/zinc/16/85/06/643168506.db2.gz YGVXXWZGYJACGH-UHFFFAOYSA-N 1 2 396.285 2.364 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cc(=O)n2nccc2[nH]1 ZINC000104095674 643177082 /nfs/dbraw/zinc/17/70/82/643177082.db2.gz FAHVYXDBWNSIMS-UHFFFAOYSA-N 1 2 380.235 2.400 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cc(=O)n2nccc2[nH]1 ZINC000104095674 643177086 /nfs/dbraw/zinc/17/70/86/643177086.db2.gz FAHVYXDBWNSIMS-UHFFFAOYSA-N 1 2 380.235 2.400 20 0 GEADLO C[C@H](NC(=O)NCCNc1ncc(Cl)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000105139020 643200009 /nfs/dbraw/zinc/20/00/09/643200009.db2.gz WMLPLULCGKFVNG-RYUDHWBXSA-N 1 2 390.315 2.209 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000105240082 643202089 /nfs/dbraw/zinc/20/20/89/643202089.db2.gz NNXBRZCPFWVXQS-INIZCTEOSA-N 1 2 382.302 2.410 20 0 GEADLO O=C(CCn1cc(Br)ccc1=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000105337041 643203225 /nfs/dbraw/zinc/20/32/25/643203225.db2.gz RYNZNFZAYVMIQP-UHFFFAOYSA-N 1 2 379.258 2.061 20 0 GEADLO COC(=O)C1(O)CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000537684605 650821157 /nfs/dbraw/zinc/82/11/57/650821157.db2.gz NVGYEKMIPNFKQR-UHFFFAOYSA-N 1 2 392.677 2.481 20 0 GEADLO C[C@@H]1Cc2cc(S(=O)(=O)NCC[N@@H+]3CCc4sccc4C3)ccc2O1 ZINC000106228419 643226081 /nfs/dbraw/zinc/22/60/81/643226081.db2.gz LUCFFDLHBJIHHQ-CYBMUJFWSA-N 1 2 378.519 2.408 20 0 GEADLO C[C@@H]1Cc2cc(S(=O)(=O)NCC[N@H+]3CCc4sccc4C3)ccc2O1 ZINC000106228419 643226082 /nfs/dbraw/zinc/22/60/82/643226082.db2.gz LUCFFDLHBJIHHQ-CYBMUJFWSA-N 1 2 378.519 2.408 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1Cl ZINC000537746464 650822816 /nfs/dbraw/zinc/82/28/16/650822816.db2.gz CXLDKDJOVRMACO-NXEZZACHSA-N 1 2 377.869 2.151 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1Cl ZINC000537746464 650822817 /nfs/dbraw/zinc/82/28/17/650822817.db2.gz CXLDKDJOVRMACO-NXEZZACHSA-N 1 2 377.869 2.151 20 0 GEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000537749583 650822963 /nfs/dbraw/zinc/82/29/63/650822963.db2.gz MRGWHZVJYOPSCO-IUCAKERBSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000537749583 650822964 /nfs/dbraw/zinc/82/29/64/650822964.db2.gz MRGWHZVJYOPSCO-IUCAKERBSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1ccc(Br)cc1 ZINC000106580732 643234430 /nfs/dbraw/zinc/23/44/30/643234430.db2.gz JEOUEGYUQJYDKH-CQSZACIVSA-N 1 2 383.334 2.226 20 0 GEADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000106805579 643239624 /nfs/dbraw/zinc/23/96/24/643239624.db2.gz IOHUBCBJSPPBBS-QGZVFWFLSA-N 1 2 380.330 2.230 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCc1cccc(Br)c1 ZINC000108883388 643284572 /nfs/dbraw/zinc/28/45/72/643284572.db2.gz QGPPIFZWSHBNKF-CQSZACIVSA-N 1 2 384.318 2.402 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000496987309 650831713 /nfs/dbraw/zinc/83/17/13/650831713.db2.gz GFYRQHIRCVDART-ILXRZTDVSA-N 1 2 392.253 2.176 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000496987309 650831715 /nfs/dbraw/zinc/83/17/15/650831715.db2.gz GFYRQHIRCVDART-ILXRZTDVSA-N 1 2 392.253 2.176 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000497047965 650831941 /nfs/dbraw/zinc/83/19/41/650831941.db2.gz AWIQUKXCASROQV-GFCCVEGCSA-N 1 2 383.901 2.162 20 0 GEADLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000112997071 643379227 /nfs/dbraw/zinc/37/92/27/643379227.db2.gz ZEAIJFDGJUWVFN-OAHLLOKOSA-N 1 2 394.269 2.457 20 0 GEADLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000112997071 643379234 /nfs/dbraw/zinc/37/92/34/643379234.db2.gz ZEAIJFDGJUWVFN-OAHLLOKOSA-N 1 2 394.269 2.457 20 0 GEADLO O=C(C[N@H+](CCO)CCOCC(F)(F)F)Nc1nc2ccccc2s1 ZINC000112982770 643379255 /nfs/dbraw/zinc/37/92/55/643379255.db2.gz BWCMEDVTKDJMBG-UHFFFAOYSA-N 1 2 377.388 2.108 20 0 GEADLO O=C(C[N@@H+](CCO)CCOCC(F)(F)F)Nc1nc2ccccc2s1 ZINC000112982770 643379262 /nfs/dbraw/zinc/37/92/62/643379262.db2.gz BWCMEDVTKDJMBG-UHFFFAOYSA-N 1 2 377.388 2.108 20 0 GEADLO COCC[N@H+](CCC(=O)OC)CC(=O)Nc1ccc(C)cc1Br ZINC000113255596 643386365 /nfs/dbraw/zinc/38/63/65/643386365.db2.gz CYSLUJZWPGOGMD-UHFFFAOYSA-N 1 2 387.274 2.208 20 0 GEADLO COCC[N@@H+](CCC(=O)OC)CC(=O)Nc1ccc(C)cc1Br ZINC000113255596 643386371 /nfs/dbraw/zinc/38/63/71/643386371.db2.gz CYSLUJZWPGOGMD-UHFFFAOYSA-N 1 2 387.274 2.208 20 0 GEADLO CN1CC[N@H+](C)C[C@H]1CNC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000497768318 650840072 /nfs/dbraw/zinc/84/00/72/650840072.db2.gz KHIMKNMJLPDPEA-MRXNPFEDSA-N 1 2 396.329 2.164 20 0 GEADLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000497768318 650840075 /nfs/dbraw/zinc/84/00/75/650840075.db2.gz KHIMKNMJLPDPEA-MRXNPFEDSA-N 1 2 396.329 2.164 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000115676961 643444716 /nfs/dbraw/zinc/44/47/16/643444716.db2.gz CIWOSEFUJBGBMN-OAHLLOKOSA-N 1 2 382.302 2.111 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000115676961 643444723 /nfs/dbraw/zinc/44/47/23/643444723.db2.gz CIWOSEFUJBGBMN-OAHLLOKOSA-N 1 2 382.302 2.111 20 0 GEADLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000116401365 643462617 /nfs/dbraw/zinc/46/26/17/643462617.db2.gz RFRNXLFSQVAQTL-UONOGXRCSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000116401365 643462624 /nfs/dbraw/zinc/46/26/24/643462624.db2.gz RFRNXLFSQVAQTL-UONOGXRCSA-N 1 2 385.258 2.040 20 0 GEADLO CS(=O)(=O)N1CCN(c2ccc(NCc3ccccc3Cl)c[nH+]2)CC1 ZINC000119663117 643563909 /nfs/dbraw/zinc/56/39/09/643563909.db2.gz FKZFHASQPKQFGI-UHFFFAOYSA-N 1 2 380.901 2.429 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(Br)n1 ZINC000119811601 643572504 /nfs/dbraw/zinc/57/25/04/643572504.db2.gz VLLSEYWVPCTYSC-HNNXBMFYSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(Br)n1 ZINC000119811601 643572515 /nfs/dbraw/zinc/57/25/15/643572515.db2.gz VLLSEYWVPCTYSC-HNNXBMFYSA-N 1 2 390.281 2.475 20 0 GEADLO Cc1cc[nH+]c(N2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)c1 ZINC000119921715 643579834 /nfs/dbraw/zinc/57/98/34/643579834.db2.gz IRYYEOSMSKJTEH-UHFFFAOYSA-N 1 2 390.285 2.308 20 0 GEADLO CCCN(C)S(=O)(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000119938698 643580457 /nfs/dbraw/zinc/58/04/57/643580457.db2.gz VMLPAYSHRYNALC-UHFFFAOYSA-N 1 2 388.965 2.028 20 0 GEADLO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000120002789 643584665 /nfs/dbraw/zinc/58/46/65/643584665.db2.gz JAPHTPKXXSNDCO-SJORKVTESA-N 1 2 380.535 2.218 20 0 GEADLO Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000120002789 643584670 /nfs/dbraw/zinc/58/46/70/643584670.db2.gz JAPHTPKXXSNDCO-SJORKVTESA-N 1 2 380.535 2.218 20 0 GEADLO CCOc1cc(C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)cc(Cl)c1OC ZINC000539863357 650852250 /nfs/dbraw/zinc/85/22/50/650852250.db2.gz XMVWNCCZYZAHRD-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO CCOc1cc(C[N@H+]2CCC[C@H]2CS(=O)(=O)NC)cc(Cl)c1OC ZINC000539863357 650852251 /nfs/dbraw/zinc/85/22/51/650852251.db2.gz XMVWNCCZYZAHRD-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CCN(CCO)CC1 ZINC000120512622 643613860 /nfs/dbraw/zinc/61/38/60/643613860.db2.gz LPRTUEJRJGMUMO-UHFFFAOYSA-N 1 2 393.329 2.362 20 0 GEADLO COC(=O)c1nn(CN2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1Br ZINC000121645314 643637273 /nfs/dbraw/zinc/63/72/73/643637273.db2.gz KVFNEYPXERSJGL-DGCLKSJQSA-N 1 2 396.289 2.478 20 0 GEADLO Cn1cnc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1Cl ZINC000121749379 643639400 /nfs/dbraw/zinc/63/94/00/643639400.db2.gz FYDUTLOHMJDRGV-QWHCGFSZSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1cnc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1Cl ZINC000121749379 643639406 /nfs/dbraw/zinc/63/94/06/643639406.db2.gz FYDUTLOHMJDRGV-QWHCGFSZSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)nc1Cl ZINC000121748323 643639728 /nfs/dbraw/zinc/63/97/28/643639728.db2.gz WWBRJCJAONBMBM-GXTWGEPZSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)nc1Cl ZINC000121748323 643639733 /nfs/dbraw/zinc/63/97/33/643639733.db2.gz WWBRJCJAONBMBM-GXTWGEPZSA-N 1 2 389.308 2.451 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000539950502 650854789 /nfs/dbraw/zinc/85/47/89/650854789.db2.gz IEOOSKQJLKLQBL-NEPJUHHUSA-N 1 2 391.331 2.479 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000539950502 650854792 /nfs/dbraw/zinc/85/47/92/650854792.db2.gz IEOOSKQJLKLQBL-NEPJUHHUSA-N 1 2 391.331 2.479 20 0 GEADLO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cn1 ZINC000122058977 643650587 /nfs/dbraw/zinc/65/05/87/643650587.db2.gz JLISQEYQQAPCJR-UHFFFAOYSA-N 1 2 386.239 2.034 20 0 GEADLO COCCCCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000123402547 643667933 /nfs/dbraw/zinc/66/79/33/643667933.db2.gz ZSJNLJMVZVMYNC-UHFFFAOYSA-N 1 2 390.933 2.472 20 0 GEADLO Cn1nnc2cc(C[N@H+](C)CC(=O)Nc3ccc(Br)cn3)ccc21 ZINC000539841011 650850870 /nfs/dbraw/zinc/85/08/70/650850870.db2.gz VGDIRNUFELURKG-UHFFFAOYSA-N 1 2 389.257 2.196 20 0 GEADLO Cn1nnc2cc(C[N@@H+](C)CC(=O)Nc3ccc(Br)cn3)ccc21 ZINC000539841011 650850872 /nfs/dbraw/zinc/85/08/72/650850872.db2.gz VGDIRNUFELURKG-UHFFFAOYSA-N 1 2 389.257 2.196 20 0 GEADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc(-c3cc(F)cc(Br)c3)[nH]n2)C1 ZINC000124882773 643692076 /nfs/dbraw/zinc/69/20/76/643692076.db2.gz SMQUGKOYUIABEK-ZDUSSCGKSA-N 1 2 383.221 2.247 20 0 GEADLO C[N@H+]1CCO[C@H](C(=O)Nc2cc(-c3cc(F)cc(Br)c3)[nH]n2)C1 ZINC000124882773 643692078 /nfs/dbraw/zinc/69/20/78/643692078.db2.gz SMQUGKOYUIABEK-ZDUSSCGKSA-N 1 2 383.221 2.247 20 0 GEADLO O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000126131946 643721801 /nfs/dbraw/zinc/72/18/01/643721801.db2.gz KWJBXSSVISEDHK-AWEZNQCLSA-N 1 2 398.301 2.161 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)Cc1ccsc1 ZINC000128413831 643802176 /nfs/dbraw/zinc/80/21/76/643802176.db2.gz BGTLBQOVHWMPJF-ZDUSSCGKSA-N 1 2 381.523 2.457 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)Cc1ccsc1 ZINC000128413831 643802179 /nfs/dbraw/zinc/80/21/79/643802179.db2.gz BGTLBQOVHWMPJF-ZDUSSCGKSA-N 1 2 381.523 2.457 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000541328608 650874301 /nfs/dbraw/zinc/87/43/01/650874301.db2.gz YVTKBJACTRMTCE-AWEZNQCLSA-N 1 2 395.301 2.103 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)NCCc2c[nH]c3ccc(Br)cc23)C1 ZINC000541328608 650874303 /nfs/dbraw/zinc/87/43/03/650874303.db2.gz YVTKBJACTRMTCE-AWEZNQCLSA-N 1 2 395.301 2.103 20 0 GEADLO C[C@H](C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)[NH+]1CCSCC1 ZINC000151362135 643939410 /nfs/dbraw/zinc/93/94/10/643939410.db2.gz VYCSEFYQZHPURX-LLVKDONJSA-N 1 2 375.416 2.355 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000499310293 650879561 /nfs/dbraw/zinc/87/95/61/650879561.db2.gz NMQLVNYTWPNQFD-QMTHXVAHSA-N 1 2 383.239 2.263 20 0 GEADLO C[C@@H](CNC(=O)CSc1nnc(-c2cccs2)n1C)Cn1cc[nH+]c1 ZINC000153576325 643994178 /nfs/dbraw/zinc/99/41/78/643994178.db2.gz FTBVOOVWRZCXQH-LBPRGKRZSA-N 1 2 376.511 2.285 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000153668951 643999231 /nfs/dbraw/zinc/99/92/31/643999231.db2.gz SNDYMAHDJAFSGC-WDEREUQCSA-N 1 2 399.314 2.278 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155103160 644064180 /nfs/dbraw/zinc/06/41/80/644064180.db2.gz BXBQOBTXZGNRFY-LLVKDONJSA-N 1 2 399.314 2.374 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CC1 ZINC000155330218 644069722 /nfs/dbraw/zinc/06/97/22/644069722.db2.gz ZVXBFWYRPYXCSZ-UHFFFAOYSA-N 1 2 376.254 2.315 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000159002737 644171876 /nfs/dbraw/zinc/17/18/76/644171876.db2.gz LWDMMWNEYWKYKZ-UHFFFAOYSA-N 1 2 377.447 2.338 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000543026129 650897810 /nfs/dbraw/zinc/89/78/10/650897810.db2.gz JDJCBLJSQFFRJU-UHFFFAOYSA-N 1 2 391.225 2.017 20 0 GEADLO CC(=O)N1CC[C@@H](C[N@@H+](C)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1 ZINC000165137170 644270695 /nfs/dbraw/zinc/27/06/95/644270695.db2.gz ZSYHTDMPOJKJHA-NSHDSACASA-N 1 2 384.263 2.347 20 0 GEADLO CC(=O)N1CC[C@@H](C[N@H+](C)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1 ZINC000165137170 644270699 /nfs/dbraw/zinc/27/06/99/644270699.db2.gz ZSYHTDMPOJKJHA-NSHDSACASA-N 1 2 384.263 2.347 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(C)c2)CC[N@@H+]1CCOC ZINC000166049159 644271661 /nfs/dbraw/zinc/27/16/61/644271661.db2.gz GHPQUULZRFEHJD-CQSZACIVSA-N 1 2 375.922 2.165 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(C)c2)CC[N@H+]1CCOC ZINC000166049159 644271663 /nfs/dbraw/zinc/27/16/63/644271663.db2.gz GHPQUULZRFEHJD-CQSZACIVSA-N 1 2 375.922 2.165 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000171001955 644300478 /nfs/dbraw/zinc/30/04/78/644300478.db2.gz WTXVDYWDEUOSQV-HNNXBMFYSA-N 1 2 379.258 2.429 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000171101186 644309010 /nfs/dbraw/zinc/30/90/10/644309010.db2.gz PPTBZNYWUKRKFU-UHFFFAOYSA-N 1 2 390.315 2.210 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000171101186 644309013 /nfs/dbraw/zinc/30/90/13/644309013.db2.gz PPTBZNYWUKRKFU-UHFFFAOYSA-N 1 2 390.315 2.210 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc(Br)s1 ZINC000171102158 644309248 /nfs/dbraw/zinc/30/92/48/644309248.db2.gz DOOSXAUVHGBURE-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc(Br)s1 ZINC000171102158 644309256 /nfs/dbraw/zinc/30/92/56/644309256.db2.gz DOOSXAUVHGBURE-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO Cn1ncc2c1nc[nH+]c2N(CCO)Cc1cc(Br)ccc1F ZINC000172774864 644342597 /nfs/dbraw/zinc/34/25/97/644342597.db2.gz JLJTZLLINCGRDR-UHFFFAOYSA-N 1 2 380.221 2.264 20 0 GEADLO CC[C@@H]([NH2+]CC(=O)N(CC)CC(=O)NCc1cccs1)c1nccs1 ZINC000543452380 650912343 /nfs/dbraw/zinc/91/23/43/650912343.db2.gz VXMBOHDQNGIPOY-CQSZACIVSA-N 1 2 380.539 2.410 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CCCCCCO)CC1 ZINC000175740637 644392996 /nfs/dbraw/zinc/39/29/96/644392996.db2.gz PQSSJBADMBLQFU-UHFFFAOYSA-N 1 2 378.897 2.338 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCc3ccn(C)n3)[nH+]c12 ZINC000543697976 650920356 /nfs/dbraw/zinc/92/03/56/650920356.db2.gz YSCJJOSCJFGSEF-UHFFFAOYSA-N 1 2 391.273 2.181 20 0 GEADLO Nc1ncc(Cl)cc1S(=O)(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000178945463 644446901 /nfs/dbraw/zinc/44/69/01/644446901.db2.gz RHAHYYVRXMGXIK-UHFFFAOYSA-N 1 2 377.857 2.041 20 0 GEADLO NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1ccc(Br)cc1F ZINC000179921631 644480235 /nfs/dbraw/zinc/48/02/35/644480235.db2.gz XMJDSZRSCMEGNE-UHFFFAOYSA-N 1 2 381.205 2.453 20 0 GEADLO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000181042711 644520019 /nfs/dbraw/zinc/52/00/19/644520019.db2.gz QMOROIFUDGIVJQ-UHFFFAOYSA-N 1 2 385.829 2.022 20 0 GEADLO COc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1Br ZINC000181483127 644538571 /nfs/dbraw/zinc/53/85/71/644538571.db2.gz KGDBTVVSODHQRC-LLVKDONJSA-N 1 2 377.242 2.256 20 0 GEADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000184267846 645014320 /nfs/dbraw/zinc/01/43/20/645014320.db2.gz IXCBALXOWKHGOT-HIFRSBDPSA-N 1 2 385.555 2.060 20 0 GEADLO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000185434671 645045590 /nfs/dbraw/zinc/04/55/90/645045590.db2.gz DSXOWAQZBZPGMR-UHFFFAOYSA-N 1 2 377.913 2.174 20 0 GEADLO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185970929 645057356 /nfs/dbraw/zinc/05/73/56/645057356.db2.gz ALQZDWKGBYSPNT-VIFPVBQESA-N 1 2 383.283 2.272 20 0 GEADLO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000187015237 645078763 /nfs/dbraw/zinc/07/87/63/645078763.db2.gz UGEFGAYWRARGBO-AWEZNQCLSA-N 1 2 376.507 2.361 20 0 GEADLO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000187015237 645078767 /nfs/dbraw/zinc/07/87/67/645078767.db2.gz UGEFGAYWRARGBO-AWEZNQCLSA-N 1 2 376.507 2.361 20 0 GEADLO C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000188048073 645105347 /nfs/dbraw/zinc/10/53/47/645105347.db2.gz KJDJFXGVBMEMFN-JSGCOSHPSA-N 1 2 390.311 2.389 20 0 GEADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cccc(Cl)c2Cl)[nH+]1 ZINC000188126998 645109504 /nfs/dbraw/zinc/10/95/04/645109504.db2.gz IEJSSJBZAVBHAT-UHFFFAOYSA-N 1 2 375.603 2.300 20 0 GEADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000188307151 645112687 /nfs/dbraw/zinc/11/26/87/645112687.db2.gz JBCVWPUGYCEBRS-GFCCVEGCSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000188307151 645112692 /nfs/dbraw/zinc/11/26/92/645112692.db2.gz JBCVWPUGYCEBRS-GFCCVEGCSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000188315468 645113441 /nfs/dbraw/zinc/11/34/41/645113441.db2.gz BPDLZNOIXMSNDQ-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000188315468 645113445 /nfs/dbraw/zinc/11/34/45/645113445.db2.gz BPDLZNOIXMSNDQ-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000190835467 645166103 /nfs/dbraw/zinc/16/61/03/645166103.db2.gz RHZYXUGUGCVXHA-GFCCVEGCSA-N 1 2 394.896 2.057 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000190835467 645166107 /nfs/dbraw/zinc/16/61/07/645166107.db2.gz RHZYXUGUGCVXHA-GFCCVEGCSA-N 1 2 394.896 2.057 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3[C@@H]4CCCO[C@H]34)[nH+]c12 ZINC000546062903 650989902 /nfs/dbraw/zinc/98/99/02/650989902.db2.gz CZXSEDMGQYIYGE-ZNMIVQPWSA-N 1 2 378.270 2.489 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000546170655 650993866 /nfs/dbraw/zinc/99/38/66/650993866.db2.gz LTCXGEGFEXCISM-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000546170655 650993872 /nfs/dbraw/zinc/99/38/72/650993872.db2.gz LTCXGEGFEXCISM-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO C[N@H+](CCCc1c(Cl)cccc1Cl)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000193240183 645254870 /nfs/dbraw/zinc/25/48/70/645254870.db2.gz CWVSAPAMMATLCY-GFCCVEGCSA-N 1 2 393.336 2.161 20 0 GEADLO C[N@@H+](CCCc1c(Cl)cccc1Cl)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000193240183 645254878 /nfs/dbraw/zinc/25/48/78/645254878.db2.gz CWVSAPAMMATLCY-GFCCVEGCSA-N 1 2 393.336 2.161 20 0 GEADLO O=C(NCc1ccc(O)c(Br)c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000193597815 645288498 /nfs/dbraw/zinc/28/84/98/645288498.db2.gz SLLYWLJMAMEHFI-HNNXBMFYSA-N 1 2 383.286 2.414 20 0 GEADLO O=C(NCc1ccc(O)c(Br)c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000193597815 645288503 /nfs/dbraw/zinc/28/85/03/645288503.db2.gz SLLYWLJMAMEHFI-HNNXBMFYSA-N 1 2 383.286 2.414 20 0 GEADLO CN1CC[N@H+](C)C[C@H]1c1noc(Cc2cccc(I)c2)n1 ZINC000546501269 651000884 /nfs/dbraw/zinc/00/08/84/651000884.db2.gz RZCQNWBNRIOFAX-ZDUSSCGKSA-N 1 2 398.248 2.183 20 0 GEADLO CN1CC[N@@H+](C)C[C@H]1c1noc(Cc2cccc(I)c2)n1 ZINC000546501269 651000890 /nfs/dbraw/zinc/00/08/90/651000890.db2.gz RZCQNWBNRIOFAX-ZDUSSCGKSA-N 1 2 398.248 2.183 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2sccc2Br)C1 ZINC000194136428 645314832 /nfs/dbraw/zinc/31/48/32/645314832.db2.gz MPVBELGROXZUDE-NSHDSACASA-N 1 2 397.360 2.146 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2sccc2Br)C1 ZINC000194136428 645314834 /nfs/dbraw/zinc/31/48/34/645314834.db2.gz MPVBELGROXZUDE-NSHDSACASA-N 1 2 397.360 2.146 20 0 GEADLO COc1ccc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc1Br ZINC000194731285 645345984 /nfs/dbraw/zinc/34/59/84/645345984.db2.gz DLNPSPZMXKEIPO-TXEJJXNPSA-N 1 2 386.290 2.034 20 0 GEADLO COc1ccc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc1Br ZINC000194731285 645345990 /nfs/dbraw/zinc/34/59/90/645345990.db2.gz DLNPSPZMXKEIPO-TXEJJXNPSA-N 1 2 386.290 2.034 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)C[C@@H](C)O)[nH+]c12 ZINC000546861214 651011677 /nfs/dbraw/zinc/01/16/77/651011677.db2.gz DYZSGOKRHCWMTF-NWDGAFQWSA-N 1 2 383.290 2.406 20 0 GEADLO CC[C@H]1CN(CCS(=O)(=O)CC[N@@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000245433117 645454943 /nfs/dbraw/zinc/45/49/43/645454943.db2.gz BROMLWKCOXOWDS-HOTGVXAUSA-N 1 2 380.645 2.056 20 0 GEADLO CC[C@H]1CN(CCS(=O)(=O)CC[N@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000245433117 645454949 /nfs/dbraw/zinc/45/49/49/645454949.db2.gz BROMLWKCOXOWDS-HOTGVXAUSA-N 1 2 380.645 2.056 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245692963 645466794 /nfs/dbraw/zinc/46/67/94/645466794.db2.gz JWGDYTGYPRKTKV-ZOBUZTSGSA-N 1 2 387.908 2.392 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245692963 645466805 /nfs/dbraw/zinc/46/68/05/645466805.db2.gz JWGDYTGYPRKTKV-ZOBUZTSGSA-N 1 2 387.908 2.392 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000245774719 645468672 /nfs/dbraw/zinc/46/86/72/645468672.db2.gz SLULXIULZUOSPR-HZPDHXFCSA-N 1 2 388.917 2.021 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000245774719 645468677 /nfs/dbraw/zinc/46/86/77/645468677.db2.gz SLULXIULZUOSPR-HZPDHXFCSA-N 1 2 388.917 2.021 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000246418929 645483464 /nfs/dbraw/zinc/48/34/64/645483464.db2.gz KLIRTCCQZPNMQC-KKUMJFAQSA-N 1 2 387.307 2.248 20 0 GEADLO O=C(C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1)N1CCCC1 ZINC000247804442 645519072 /nfs/dbraw/zinc/51/90/72/645519072.db2.gz YBMUTBOGIWFUBS-UHFFFAOYSA-N 1 2 384.293 2.328 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1C(F)(F)F ZINC000249189460 645548731 /nfs/dbraw/zinc/54/87/31/645548731.db2.gz OYCWOSPSPDATEB-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1C(F)(F)F ZINC000249189460 645548736 /nfs/dbraw/zinc/54/87/36/645548736.db2.gz OYCWOSPSPDATEB-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000249206963 645550119 /nfs/dbraw/zinc/55/01/19/645550119.db2.gz RYOJTJMSWWLBMD-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000249206963 645550123 /nfs/dbraw/zinc/55/01/23/645550123.db2.gz RYOJTJMSWWLBMD-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H]1CCC[N@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000249842702 645561708 /nfs/dbraw/zinc/56/17/08/645561708.db2.gz YEIAGVVFFIWFBO-HOTGVXAUSA-N 1 2 384.567 2.386 20 0 GEADLO C[C@H]1CCC[N@@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000249842702 645561723 /nfs/dbraw/zinc/56/17/23/645561723.db2.gz YEIAGVVFFIWFBO-HOTGVXAUSA-N 1 2 384.567 2.386 20 0 GEADLO O=C(/C=C\c1ccc(Cl)s1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000255075789 645575927 /nfs/dbraw/zinc/57/59/27/645575927.db2.gz OKGNJCZUSGBGPS-HYXAFXHYSA-N 1 2 377.901 2.143 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1Br ZINC000261707213 645595011 /nfs/dbraw/zinc/59/50/11/645595011.db2.gz MEMKCQVFGYQASB-MRXNPFEDSA-N 1 2 396.310 2.488 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000264227877 645671332 /nfs/dbraw/zinc/67/13/32/645671332.db2.gz XTXPKPGGIHBROG-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000264227877 645671337 /nfs/dbraw/zinc/67/13/37/645671337.db2.gz XTXPKPGGIHBROG-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1coc(Br)c1 ZINC000265462893 645761012 /nfs/dbraw/zinc/76/10/12/645761012.db2.gz NOQZUPMWXYOJSU-ZDUSSCGKSA-N 1 2 393.285 2.378 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000266945502 645866333 /nfs/dbraw/zinc/86/63/33/645866333.db2.gz CPPSEVXHEBVVDI-LLVKDONJSA-N 1 2 377.242 2.150 20 0 GEADLO CC1N=NC(=S)N1CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000267066729 645877834 /nfs/dbraw/zinc/87/78/34/645877834.db2.gz NCJSYRJXVUHDGO-UHFFFAOYSA-N 1 2 381.531 2.139 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000267090327 645880816 /nfs/dbraw/zinc/88/08/16/645880816.db2.gz LZBXWBVFZUAWMM-CYBMUJFWSA-N 1 2 377.242 2.150 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[S@@](=O)Cc1c[nH+]cn1C ZINC000268124180 645946052 /nfs/dbraw/zinc/94/60/52/645946052.db2.gz CROBJHNTRQRPGE-QFIPXVFZSA-N 1 2 384.299 2.090 20 0 GEADLO COc1cc(NC(=O)CC[S@](=O)Cc2c[nH+]cn2C)c(OC)cc1Cl ZINC000268132846 645946663 /nfs/dbraw/zinc/94/66/63/645946663.db2.gz FXUKZWSGJUQBKJ-VWLOTQADSA-N 1 2 385.873 2.368 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(F)c1I ZINC000547983467 651059754 /nfs/dbraw/zinc/05/97/54/651059754.db2.gz DFBLUZRXSKPOEU-SECBINFHSA-N 1 2 385.180 2.372 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1Cl ZINC000268185372 645950607 /nfs/dbraw/zinc/95/06/07/645950607.db2.gz OBQYRDAUWLNWCZ-UHFFFAOYSA-N 1 2 383.857 2.418 20 0 GEADLO Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@@H](O)C(=O)NC3CC3)CC2)s1 ZINC000548024046 651061256 /nfs/dbraw/zinc/06/12/56/651061256.db2.gz GKHSBDAVJURWMI-CYBMUJFWSA-N 1 2 377.432 2.322 20 0 GEADLO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000268669103 645986950 /nfs/dbraw/zinc/98/69/50/645986950.db2.gz AFINWGSCFSWHBC-NSHDSACASA-N 1 2 379.258 2.351 20 0 GEADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C(F)F)ccc2Cl)CC1 ZINC000269072360 646013357 /nfs/dbraw/zinc/01/33/57/646013357.db2.gz FSTWHYGLVUPZJD-UHFFFAOYSA-N 1 2 375.803 2.007 20 0 GEADLO Cc1ncc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)s1 ZINC000269285967 646025321 /nfs/dbraw/zinc/02/53/21/646025321.db2.gz IIGPPJPPAFGCTC-UHFFFAOYSA-N 1 2 381.527 2.184 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000270203336 646091210 /nfs/dbraw/zinc/09/12/10/646091210.db2.gz ZBWVJLVYOOINSX-SNVBAGLBSA-N 1 2 377.297 2.487 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000272084016 646253602 /nfs/dbraw/zinc/25/36/02/646253602.db2.gz HVMVQOFCDVTYFW-CYBMUJFWSA-N 1 2 387.860 2.412 20 0 GEADLO C[C@@H](CCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)[NH+]1CCCCC1 ZINC000273211330 646309790 /nfs/dbraw/zinc/30/97/90/646309790.db2.gz UCOYEVROGGWTCO-AWEZNQCLSA-N 1 2 388.555 2.170 20 0 GEADLO Cn1cc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c(C(F)F)n1 ZINC000274533658 646325012 /nfs/dbraw/zinc/32/50/12/646325012.db2.gz DXCYKDKKZDCSEW-UHFFFAOYSA-N 1 2 390.481 2.362 20 0 GEADLO C[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCS(=O)(=O)C1 ZINC000277331027 646403158 /nfs/dbraw/zinc/40/31/58/646403158.db2.gz YGRJIONOCZICLG-CYBMUJFWSA-N 1 2 386.543 2.027 20 0 GEADLO CS(=O)(=O)Nc1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000277445887 646421600 /nfs/dbraw/zinc/42/16/00/646421600.db2.gz MYIRLFRSNUKHFK-UHFFFAOYSA-N 1 2 379.511 2.013 20 0 GEADLO CS(=O)(=O)Nc1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000277445887 646421604 /nfs/dbraw/zinc/42/16/04/646421604.db2.gz MYIRLFRSNUKHFK-UHFFFAOYSA-N 1 2 379.511 2.013 20 0 GEADLO NC(=O)c1csc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000277481394 646428834 /nfs/dbraw/zinc/42/88/34/646428834.db2.gz ZZOGAGYNAGLAEU-OAHLLOKOSA-N 1 2 375.519 2.194 20 0 GEADLO NC(=O)c1csc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000277481394 646428838 /nfs/dbraw/zinc/42/88/38/646428838.db2.gz ZZOGAGYNAGLAEU-OAHLLOKOSA-N 1 2 375.519 2.194 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000278442477 646519811 /nfs/dbraw/zinc/51/98/11/646519811.db2.gz WKLQUBJIVALLTN-NWDGAFQWSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000278442477 646519817 /nfs/dbraw/zinc/51/98/17/646519817.db2.gz WKLQUBJIVALLTN-NWDGAFQWSA-N 1 2 376.266 2.359 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)c(C)c1Cl ZINC000278968037 646567574 /nfs/dbraw/zinc/56/75/74/646567574.db2.gz BVSASYBFIJMYED-QMMMGPOBSA-N 1 2 377.875 2.060 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1I ZINC000279045598 646573498 /nfs/dbraw/zinc/57/34/98/646573498.db2.gz BYMMFKYFLKOQTJ-GFCCVEGCSA-N 1 2 388.249 2.084 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1ccc(Br)s1 ZINC000279311452 646589512 /nfs/dbraw/zinc/58/95/12/646589512.db2.gz XFKAGWRONYNAMH-LBPRGKRZSA-N 1 2 390.347 2.415 20 0 GEADLO CSc1cc(Br)ccc1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279352911 646594249 /nfs/dbraw/zinc/59/42/49/646594249.db2.gz GJDHAFBCGHLPEN-OAHLLOKOSA-N 1 2 384.299 2.345 20 0 GEADLO CSc1cc(Br)ccc1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279352911 646594256 /nfs/dbraw/zinc/59/42/56/646594256.db2.gz GJDHAFBCGHLPEN-OAHLLOKOSA-N 1 2 384.299 2.345 20 0 GEADLO Cc1nn(C)c(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c1Br ZINC000279822354 646630342 /nfs/dbraw/zinc/63/03/42/646630342.db2.gz MHOOXPYFLXJZQH-OAHLLOKOSA-N 1 2 382.306 2.170 20 0 GEADLO CCS(=O)(=O)c1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)s1 ZINC000281540173 646779811 /nfs/dbraw/zinc/77/98/11/646779811.db2.gz RXGGMYBPIOZHCJ-UHFFFAOYSA-N 1 2 384.552 2.497 20 0 GEADLO CCS(=O)(=O)c1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)s1 ZINC000281540173 646779833 /nfs/dbraw/zinc/77/98/33/646779833.db2.gz RXGGMYBPIOZHCJ-UHFFFAOYSA-N 1 2 384.552 2.497 20 0 GEADLO CNS(=O)(=O)c1cccc2c1CC[N@H+](C[C@@H](O)c1ccccc1Cl)C2 ZINC000284943818 646846747 /nfs/dbraw/zinc/84/67/47/646846747.db2.gz WRVPEXWOFZKJBI-QGZVFWFLSA-N 1 2 380.897 2.340 20 0 GEADLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@@H](O)c1ccccc1Cl)C2 ZINC000284943818 646846748 /nfs/dbraw/zinc/84/67/48/646846748.db2.gz WRVPEXWOFZKJBI-QGZVFWFLSA-N 1 2 380.897 2.340 20 0 GEADLO CN(C)S(=O)(=O)CCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000285598442 646858673 /nfs/dbraw/zinc/85/86/73/646858673.db2.gz LHEHWHHHFWDFTJ-UHFFFAOYSA-N 1 2 394.368 2.045 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1cc(F)ccc1Br ZINC000286026009 646865380 /nfs/dbraw/zinc/86/53/80/646865380.db2.gz ZVWOQHPCPDOKTO-DOMZBBRYSA-N 1 2 385.277 2.452 20 0 GEADLO C[C@@H](Cc1ccccc1Br)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288386408 646916216 /nfs/dbraw/zinc/91/62/16/646916216.db2.gz PNPFJPALSVGHLL-HZMBPMFUSA-N 1 2 377.242 2.266 20 0 GEADLO C[C@@H](Cc1ccccc1Br)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288386408 646916218 /nfs/dbraw/zinc/91/62/18/646916218.db2.gz PNPFJPALSVGHLL-HZMBPMFUSA-N 1 2 377.242 2.266 20 0 GEADLO C[C@@H](CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)Oc1ccccc1Br ZINC000288498378 646918030 /nfs/dbraw/zinc/91/80/30/646918030.db2.gz WKUGGROLNZXMQS-GWCFXTLKSA-N 1 2 393.241 2.103 20 0 GEADLO C[C@@H](CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)Oc1ccccc1Br ZINC000288498378 646918034 /nfs/dbraw/zinc/91/80/34/646918034.db2.gz WKUGGROLNZXMQS-GWCFXTLKSA-N 1 2 393.241 2.103 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000292155658 647182337 /nfs/dbraw/zinc/18/23/37/647182337.db2.gz OBWBNZOEBUAUEJ-CQSZACIVSA-N 1 2 396.336 2.490 20 0 GEADLO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCc2c[nH+]cn2C)cc1 ZINC000292517340 647196679 /nfs/dbraw/zinc/19/66/79/647196679.db2.gz BLDPPFVDSSWQQK-CQSZACIVSA-N 1 2 376.258 2.332 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)o1 ZINC000294879739 647224904 /nfs/dbraw/zinc/22/49/04/647224904.db2.gz ACSSLTIRBYRTOE-CMPLNLGQSA-N 1 2 388.251 2.289 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)o1 ZINC000294879739 647224916 /nfs/dbraw/zinc/22/49/16/647224916.db2.gz ACSSLTIRBYRTOE-CMPLNLGQSA-N 1 2 388.251 2.289 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(C)Cc1cccc(Br)c1 ZINC000297779392 647263621 /nfs/dbraw/zinc/26/36/21/647263621.db2.gz IURRBGHZEPYLEH-UHFFFAOYSA-N 1 2 393.285 2.153 20 0 GEADLO Nc1nc(NCCNS(=O)(=O)c2ccc(Cl)s2)[nH+]c2ccccc12 ZINC000301889391 647275901 /nfs/dbraw/zinc/27/59/01/647275901.db2.gz LHLDAEWCSHGBNE-UHFFFAOYSA-N 1 2 383.886 2.317 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)Nc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000319354743 647289880 /nfs/dbraw/zinc/28/98/80/647289880.db2.gz WEEXVGXIXIFQID-MRVPVSSYSA-N 1 2 380.168 2.265 20 0 GEADLO O=C(c1nc2ccc(Br)cn2n1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329631390 647321822 /nfs/dbraw/zinc/32/18/22/647321822.db2.gz WOGIBVUQWRUIRI-UHFFFAOYSA-N 1 2 375.230 2.166 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(Br)o2)CC[N@@H+]1CCOC ZINC000330822731 647353814 /nfs/dbraw/zinc/35/38/14/647353814.db2.gz PPAZFEMRMOCJIH-GFCCVEGCSA-N 1 2 395.319 2.164 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(Br)o2)CC[N@H+]1CCOC ZINC000330822731 647353817 /nfs/dbraw/zinc/35/38/17/647353817.db2.gz PPAZFEMRMOCJIH-GFCCVEGCSA-N 1 2 395.319 2.164 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000330919609 647358858 /nfs/dbraw/zinc/35/88/58/647358858.db2.gz OHPBUIFWJAMSQC-UHFFFAOYSA-N 1 2 396.738 2.121 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c(Cl)c1Cl ZINC000331218937 647372413 /nfs/dbraw/zinc/37/24/13/647372413.db2.gz XMFPDQXYAMFFQS-GHMZBOCLSA-N 1 2 397.324 2.078 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(Cl)c1Cl ZINC000331218937 647372416 /nfs/dbraw/zinc/37/24/16/647372416.db2.gz XMFPDQXYAMFFQS-GHMZBOCLSA-N 1 2 397.324 2.078 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000331261865 647374717 /nfs/dbraw/zinc/37/47/17/647374717.db2.gz CYSDMJHTQKYNLE-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000331261865 647374723 /nfs/dbraw/zinc/37/47/23/647374723.db2.gz CYSDMJHTQKYNLE-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO CC(C)NS(=O)(=O)N1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000331350119 647380821 /nfs/dbraw/zinc/38/08/21/647380821.db2.gz YGISWLBKYJSYGU-UHFFFAOYSA-N 1 2 377.963 2.293 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000332058177 647408893 /nfs/dbraw/zinc/40/88/93/647408893.db2.gz WLQHSGOONMCJEK-LBPRGKRZSA-N 1 2 381.270 2.062 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000332523581 647441281 /nfs/dbraw/zinc/44/12/81/647441281.db2.gz NNVQSVCWHGEDNE-OCCSQVGLSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000332523581 647441286 /nfs/dbraw/zinc/44/12/86/647441286.db2.gz NNVQSVCWHGEDNE-OCCSQVGLSA-N 1 2 386.901 2.374 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000332552926 647444728 /nfs/dbraw/zinc/44/47/28/647444728.db2.gz LOZGMPGDHUHORC-LLVKDONJSA-N 1 2 397.360 2.213 20 0 GEADLO O=S1(=O)CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)C2 ZINC000333613224 647476231 /nfs/dbraw/zinc/47/62/31/647476231.db2.gz XAUHFZITIYAWEC-KRWDZBQOSA-N 1 2 380.901 2.321 20 0 GEADLO O=S1(=O)CC[C@@]2(C1)CCC[N@H+](Cc1ccc(Cl)cc1-n1cncn1)C2 ZINC000333613224 647476233 /nfs/dbraw/zinc/47/62/33/647476233.db2.gz XAUHFZITIYAWEC-KRWDZBQOSA-N 1 2 380.901 2.321 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CCc1nc2cc(Cl)ccc2s1 ZINC000348590739 647494974 /nfs/dbraw/zinc/49/49/74/647494974.db2.gz HEUOAZHYUVXKPA-LBPRGKRZSA-N 1 2 375.841 2.378 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CCc1nc2cc(Cl)ccc2s1 ZINC000348590739 647494983 /nfs/dbraw/zinc/49/49/83/647494983.db2.gz HEUOAZHYUVXKPA-LBPRGKRZSA-N 1 2 375.841 2.378 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000361789652 647564484 /nfs/dbraw/zinc/56/44/84/647564484.db2.gz QPLMMIRUAWQDAB-SNVBAGLBSA-N 1 2 388.262 2.500 20 0 GEADLO CN(C)c1nc2sc(C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2s1 ZINC000363027775 647580328 /nfs/dbraw/zinc/58/03/28/647580328.db2.gz HMDJLURFWGWWLG-RYUDHWBXSA-N 1 2 380.539 2.095 20 0 GEADLO O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000363100547 647584484 /nfs/dbraw/zinc/58/44/84/647584484.db2.gz HWNVGWWHXSHYPA-ZDUSSCGKSA-N 1 2 391.269 2.308 20 0 GEADLO O=C(Nc1ccc(Br)cc1)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000363407702 647594767 /nfs/dbraw/zinc/59/47/67/647594767.db2.gz DFWOPOOOQXFYFD-UHFFFAOYSA-N 1 2 379.258 2.230 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000363496301 647597324 /nfs/dbraw/zinc/59/73/24/647597324.db2.gz MQPZKODZFZPOTE-ZDUSSCGKSA-N 1 2 386.323 2.452 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000363496301 647597332 /nfs/dbraw/zinc/59/73/32/647597332.db2.gz MQPZKODZFZPOTE-ZDUSSCGKSA-N 1 2 386.323 2.452 20 0 GEADLO Cc1csc(NC(=O)C2CC[NH+]([C@H](C)C(=O)NCC(F)(F)F)CC2)n1 ZINC000363503957 647597941 /nfs/dbraw/zinc/59/79/41/647597941.db2.gz ATKQGJDBENSOHY-SNVBAGLBSA-N 1 2 378.420 2.169 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000363566105 647601083 /nfs/dbraw/zinc/60/10/83/647601083.db2.gz MOGMWKOPYLLCPP-JKSUJKDBSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000363566105 647601088 /nfs/dbraw/zinc/60/10/88/647601088.db2.gz MOGMWKOPYLLCPP-JKSUJKDBSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)Cc1noc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000363890201 647610291 /nfs/dbraw/zinc/61/02/91/647610291.db2.gz CBUJYZUBRLQJER-LLVKDONJSA-N 1 2 385.251 2.318 20 0 GEADLO CNC(=O)Cc1noc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000363890201 647610295 /nfs/dbraw/zinc/61/02/95/647610295.db2.gz CBUJYZUBRLQJER-LLVKDONJSA-N 1 2 385.251 2.318 20 0 GEADLO CC[C@@H](Cc1ccccc1Br)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000363962356 647613871 /nfs/dbraw/zinc/61/38/71/647613871.db2.gz QCYJLIGNVOVAKW-AWEZNQCLSA-N 1 2 396.329 2.037 20 0 GEADLO CC[C@@H](Cc1ccccc1Br)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000363962356 647613876 /nfs/dbraw/zinc/61/38/76/647613876.db2.gz QCYJLIGNVOVAKW-AWEZNQCLSA-N 1 2 396.329 2.037 20 0 GEADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000364391645 647623916 /nfs/dbraw/zinc/62/39/16/647623916.db2.gz VGBVHSITNAPQJN-CQSZACIVSA-N 1 2 383.539 2.282 20 0 GEADLO O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)C1(c2ccccc2Br)CC1 ZINC000364969545 647653063 /nfs/dbraw/zinc/65/30/63/647653063.db2.gz ATSXQKKPEFAELI-CQSZACIVSA-N 1 2 379.298 2.414 20 0 GEADLO CC(C)(NC(=O)C(F)(F)F)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000365472939 647671987 /nfs/dbraw/zinc/67/19/87/647671987.db2.gz LCAAQQAKPZSXFU-UHFFFAOYSA-N 1 2 377.432 2.286 20 0 GEADLO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)[C@H]1c1cccc(Cl)c1 ZINC000365477301 647672535 /nfs/dbraw/zinc/67/25/35/647672535.db2.gz HXEFKJGJSLTDFL-HLLBOEOZSA-N 1 2 384.929 2.274 20 0 GEADLO C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)[C@H]1c1cccc(Cl)c1 ZINC000365477301 647672539 /nfs/dbraw/zinc/67/25/39/647672539.db2.gz HXEFKJGJSLTDFL-HLLBOEOZSA-N 1 2 384.929 2.274 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000365634459 647678236 /nfs/dbraw/zinc/67/82/36/647678236.db2.gz AKKZEFCVWDEGKP-LBPRGKRZSA-N 1 2 384.889 2.000 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000365634459 647678239 /nfs/dbraw/zinc/67/82/39/647678239.db2.gz AKKZEFCVWDEGKP-LBPRGKRZSA-N 1 2 384.889 2.000 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000365634458 647678426 /nfs/dbraw/zinc/67/84/26/647678426.db2.gz AKKZEFCVWDEGKP-GFCCVEGCSA-N 1 2 384.889 2.000 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000365634458 647678429 /nfs/dbraw/zinc/67/84/29/647678429.db2.gz AKKZEFCVWDEGKP-GFCCVEGCSA-N 1 2 384.889 2.000 20 0 GEADLO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366053917 647692634 /nfs/dbraw/zinc/69/26/34/647692634.db2.gz UQSDLJGKLMKWPC-IXDOHACOSA-N 1 2 379.298 2.486 20 0 GEADLO O=C(NCc1ccc(Br)c(F)c1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366130754 647695293 /nfs/dbraw/zinc/69/52/93/647695293.db2.gz AKWQSAYFMNVEFW-CYBMUJFWSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(NCc1ccc(Br)c(F)c1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366130754 647695298 /nfs/dbraw/zinc/69/52/98/647695298.db2.gz AKWQSAYFMNVEFW-CYBMUJFWSA-N 1 2 386.265 2.251 20 0 GEADLO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000366991753 647713659 /nfs/dbraw/zinc/71/36/59/647713659.db2.gz ZQYQGBMTQQJIKO-OAHLLOKOSA-N 1 2 381.885 2.220 20 0 GEADLO O=C(c1ccc(I)cc1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367083136 647718653 /nfs/dbraw/zinc/71/86/53/647718653.db2.gz DESYMLQROXNJAW-HNNXBMFYSA-N 1 2 393.228 2.473 20 0 GEADLO O=C(COc1cccc(Br)c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367085214 647718803 /nfs/dbraw/zinc/71/88/03/647718803.db2.gz PGQXYBICYZLPGD-MRXNPFEDSA-N 1 2 376.254 2.396 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000367529730 647735785 /nfs/dbraw/zinc/73/57/85/647735785.db2.gz TZITYTXIWCUBPR-HOTGVXAUSA-N 1 2 385.917 2.235 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000367529730 647735792 /nfs/dbraw/zinc/73/57/92/647735792.db2.gz TZITYTXIWCUBPR-HOTGVXAUSA-N 1 2 385.917 2.235 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c(Br)c1 ZINC000368092338 647750651 /nfs/dbraw/zinc/75/06/51/647750651.db2.gz LESHKSYCKLGHJW-YNEHKIRRSA-N 1 2 380.286 2.152 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c(Br)c1 ZINC000368092338 647750654 /nfs/dbraw/zinc/75/06/54/647750654.db2.gz LESHKSYCKLGHJW-YNEHKIRRSA-N 1 2 380.286 2.152 20 0 GEADLO O=C1NC[C@]2(CCC[N@@H+](Cc3cc4c(cc3Br)OCCO4)C2)O1 ZINC000369047391 647768312 /nfs/dbraw/zinc/76/83/12/647768312.db2.gz JXPSPRUPCCLQJZ-INIZCTEOSA-N 1 2 383.242 2.295 20 0 GEADLO O=C1NC[C@]2(CCC[N@H+](Cc3cc4c(cc3Br)OCCO4)C2)O1 ZINC000369047391 647768314 /nfs/dbraw/zinc/76/83/14/647768314.db2.gz JXPSPRUPCCLQJZ-INIZCTEOSA-N 1 2 383.242 2.295 20 0 GEADLO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)cs2)c2ccccc2O1 ZINC000371330295 647791489 /nfs/dbraw/zinc/79/14/89/647791489.db2.gz TZWZJXKYNFYBGP-GFCCVEGCSA-N 1 2 380.491 2.121 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374341992 647822085 /nfs/dbraw/zinc/82/20/85/647822085.db2.gz RMBQVPPUDFWTKJ-LBPRGKRZSA-N 1 2 391.269 2.446 20 0 GEADLO C[N@@H+]1CCN(C2CCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)C(=O)C1 ZINC000378560734 647884650 /nfs/dbraw/zinc/88/46/50/647884650.db2.gz SUFGSADNUSBYTM-UHFFFAOYSA-N 1 2 384.307 2.301 20 0 GEADLO C[N@H+]1CCN(C2CCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)C(=O)C1 ZINC000378560734 647884653 /nfs/dbraw/zinc/88/46/53/647884653.db2.gz SUFGSADNUSBYTM-UHFFFAOYSA-N 1 2 384.307 2.301 20 0 GEADLO CC(C)(CNC(=O)Nc1cc2ccc(Br)cn2n1)[NH+]1CCOCC1 ZINC000482187959 647895964 /nfs/dbraw/zinc/89/59/64/647895964.db2.gz PXCISOPSLCHHTG-UHFFFAOYSA-N 1 2 396.289 2.329 20 0 GEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000408090000 647924798 /nfs/dbraw/zinc/92/47/98/647924798.db2.gz UEJKVKUGNANAJI-VHSXEESVSA-N 1 2 398.248 2.332 20 0 GEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000408090000 647924804 /nfs/dbraw/zinc/92/48/04/647924804.db2.gz UEJKVKUGNANAJI-VHSXEESVSA-N 1 2 398.248 2.332 20 0 GEADLO Cc1nc(N(C)C)nc(NCCCNC(=O)c2ccc(Br)cc2)[nH+]1 ZINC000488366520 647959143 /nfs/dbraw/zinc/95/91/43/647959143.db2.gz LHNJWAMHEUIBNC-UHFFFAOYSA-N 1 2 393.289 2.241 20 0 GEADLO COCC(COC)N1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000411865200 648037125 /nfs/dbraw/zinc/03/71/25/648037125.db2.gz UEBDSVQKKPSCOK-UHFFFAOYSA-N 1 2 387.318 2.107 20 0 GEADLO CN(C)C(=O)[C@@H]1CC[N@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000411949244 648038707 /nfs/dbraw/zinc/03/87/07/648038707.db2.gz VJQHJWWSMWJEOW-LLVKDONJSA-N 1 2 379.309 2.177 20 0 GEADLO CN(C)C(=O)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000411949244 648038711 /nfs/dbraw/zinc/03/87/11/648038711.db2.gz VJQHJWWSMWJEOW-LLVKDONJSA-N 1 2 379.309 2.177 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412117255 648043937 /nfs/dbraw/zinc/04/39/37/648043937.db2.gz YZEGGLINLJYFEJ-ISTVAULSSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412117255 648043944 /nfs/dbraw/zinc/04/39/44/648043944.db2.gz YZEGGLINLJYFEJ-ISTVAULSSA-N 1 2 380.794 2.361 20 0 GEADLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000416496272 648148953 /nfs/dbraw/zinc/14/89/53/648148953.db2.gz OSAHEWLMRAZEIF-LBPRGKRZSA-N 1 2 376.906 2.462 20 0 GEADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000416649550 648201977 /nfs/dbraw/zinc/20/19/77/648201977.db2.gz ACJVCKNNOHFBTB-QWRGUYRKSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000416649550 648201979 /nfs/dbraw/zinc/20/19/79/648201979.db2.gz ACJVCKNNOHFBTB-QWRGUYRKSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000416650329 648202014 /nfs/dbraw/zinc/20/20/14/648202014.db2.gz AQFOBCAPOYIXKI-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000416650329 648202018 /nfs/dbraw/zinc/20/20/18/648202018.db2.gz AQFOBCAPOYIXKI-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO CN(C(C)(C)C[NH+]1CCOCC1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000416653952 648203165 /nfs/dbraw/zinc/20/31/65/648203165.db2.gz VJKPDJMBCVMMII-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1C(F)(F)F ZINC000416665556 648206514 /nfs/dbraw/zinc/20/65/14/648206514.db2.gz ODJQBLFRCRBQIZ-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1C(F)(F)F ZINC000416665556 648206516 /nfs/dbraw/zinc/20/65/16/648206516.db2.gz ODJQBLFRCRBQIZ-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO COc1ccc(Br)c([C@@H]2C(=O)N(Cc3c[nH+]cn3C)C(=O)N2C)c1 ZINC000419943759 648390771 /nfs/dbraw/zinc/39/07/71/648390771.db2.gz QGIIDPJJPYCDFJ-CQSZACIVSA-N 1 2 393.241 2.327 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OC(F)F)C[NH+]1CCOCC1 ZINC000420669130 648431145 /nfs/dbraw/zinc/43/11/45/648431145.db2.gz FTKKZXLPOQBSES-NSHDSACASA-N 1 2 398.859 2.188 20 0 GEADLO CNC(=O)Cc1noc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)n1 ZINC000420973795 648460407 /nfs/dbraw/zinc/46/04/07/648460407.db2.gz NOQFXYTVLAJHSL-ZDUSSCGKSA-N 1 2 393.285 2.328 20 0 GEADLO CNC(=O)Cc1noc(C[N@H+]2CCC[C@H]2Cc2ccccc2Br)n1 ZINC000420973795 648460414 /nfs/dbraw/zinc/46/04/14/648460414.db2.gz NOQFXYTVLAJHSL-ZDUSSCGKSA-N 1 2 393.285 2.328 20 0 GEADLO CS(=O)(=O)c1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000421437390 648492846 /nfs/dbraw/zinc/49/28/46/648492846.db2.gz SAUDKBQIJUBZQD-UHFFFAOYSA-N 1 2 379.507 2.467 20 0 GEADLO Cc1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc(C)[nH+]1 ZINC000421576152 648497270 /nfs/dbraw/zinc/49/72/70/648497270.db2.gz LXNFRSQZPSDDSL-HNNXBMFYSA-N 1 2 379.507 2.229 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CS1 ZINC000422384537 648541964 /nfs/dbraw/zinc/54/19/64/648541964.db2.gz GFPDPZNLDXIIBR-MEYUZBJRSA-N 1 2 381.929 2.212 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CS1 ZINC000422384537 648541967 /nfs/dbraw/zinc/54/19/67/648541967.db2.gz GFPDPZNLDXIIBR-MEYUZBJRSA-N 1 2 381.929 2.212 20 0 GEADLO CCOC(=O)CSc1nnc(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)s1 ZINC000422920172 648577299 /nfs/dbraw/zinc/57/72/99/648577299.db2.gz LSKKZJKFEAZOHJ-LLVKDONJSA-N 1 2 388.421 2.110 20 0 GEADLO C[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1c[nH+]ccc1N ZINC000423113855 648582090 /nfs/dbraw/zinc/58/20/90/648582090.db2.gz ZKEMJSSIOBPBTM-SNVBAGLBSA-N 1 2 389.308 2.430 20 0 GEADLO CCN1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C(C)(C)C1=O ZINC000426113721 648703813 /nfs/dbraw/zinc/70/38/13/648703813.db2.gz KUGBLTPLACBMJZ-AWEZNQCLSA-N 1 2 385.302 2.132 20 0 GEADLO CCN1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C(C)(C)C1=O ZINC000426113721 648703820 /nfs/dbraw/zinc/70/38/20/648703820.db2.gz KUGBLTPLACBMJZ-AWEZNQCLSA-N 1 2 385.302 2.132 20 0 GEADLO COc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000427059315 648721925 /nfs/dbraw/zinc/72/19/25/648721925.db2.gz LOWHTXHUBKBOER-VIFPVBQESA-N 1 2 383.235 2.268 20 0 GEADLO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccc(Br)cc1OCCCO ZINC000428601520 648740476 /nfs/dbraw/zinc/74/04/76/648740476.db2.gz OEYGJTBDIIGMIG-GFCCVEGCSA-N 1 2 382.258 2.284 20 0 GEADLO COC(=O)CN1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000429669785 648750429 /nfs/dbraw/zinc/75/04/29/648750429.db2.gz HINPUWUNHZESHM-UHFFFAOYSA-N 1 2 378.270 2.288 20 0 GEADLO COc1ccccc1CCNC(=O)C[NH2+]Cc1ncc(Br)s1 ZINC000435750057 648786954 /nfs/dbraw/zinc/78/69/54/648786954.db2.gz WJQGICUYFXLGEK-UHFFFAOYSA-N 1 2 384.299 2.363 20 0 GEADLO CCc1nc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)sc1C(=O)OC ZINC000551019561 651117259 /nfs/dbraw/zinc/11/72/59/651117259.db2.gz NMPWFJIIOMRQBC-UHFFFAOYSA-N 1 2 383.495 2.355 20 0 GEADLO Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)s1 ZINC000551384819 651123387 /nfs/dbraw/zinc/12/33/87/651123387.db2.gz AWRRRZHHMXNVQZ-UHFFFAOYSA-N 1 2 378.483 2.099 20 0 GEADLO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000551399013 651123897 /nfs/dbraw/zinc/12/38/97/651123897.db2.gz ISZATFQGASXWAR-VXGBXAGGSA-N 1 2 383.279 2.442 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cccc(F)c2Br)CC1 ZINC000551674311 651129561 /nfs/dbraw/zinc/12/95/61/651129561.db2.gz HCVQGFBEFKECGT-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000552110930 651140717 /nfs/dbraw/zinc/14/07/17/651140717.db2.gz IFECFIZUPMURGJ-OAHLLOKOSA-N 1 2 381.274 2.379 20 0 GEADLO COc1cc(Br)ccc1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000552110930 651140719 /nfs/dbraw/zinc/14/07/19/651140719.db2.gz IFECFIZUPMURGJ-OAHLLOKOSA-N 1 2 381.274 2.379 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCc2ccccc2Br)C1 ZINC000552167759 651142390 /nfs/dbraw/zinc/14/23/90/651142390.db2.gz HXKGQIKTLOCRJV-CQSZACIVSA-N 1 2 397.313 2.383 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCc2ccccc2Br)C1 ZINC000552167759 651142394 /nfs/dbraw/zinc/14/23/94/651142394.db2.gz HXKGQIKTLOCRJV-CQSZACIVSA-N 1 2 397.313 2.383 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cncc(O)c3)[nH+]c12 ZINC000552161874 651142408 /nfs/dbraw/zinc/14/24/08/651142408.db2.gz ZDBSDEYNQLWDME-UHFFFAOYSA-N 1 2 375.226 2.478 20 0 GEADLO CS(=O)(=O)c1cc(CNC(=O)CCc2[nH]cc[nH+]2)cc(C(F)(F)F)c1 ZINC000552661670 651154712 /nfs/dbraw/zinc/15/47/12/651154712.db2.gz ZSSWUMXIYAPING-UHFFFAOYSA-N 1 2 375.372 2.081 20 0 GEADLO CC(C)c1cc(N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)nc(C(C)C)[nH+]1 ZINC000553267623 651170192 /nfs/dbraw/zinc/17/01/92/651170192.db2.gz AYAKKDQKYHHRAE-LBPRGKRZSA-N 1 2 382.452 2.958 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccc(Br)cc1 ZINC000553922472 651194335 /nfs/dbraw/zinc/19/43/35/651194335.db2.gz VQZQPCRBFARPET-WMLDXEAASA-N 1 2 396.329 2.496 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccc(Br)cc1 ZINC000553922476 651194355 /nfs/dbraw/zinc/19/43/55/651194355.db2.gz VQZQPCRBFARPET-YOEHRIQHSA-N 1 2 396.329 2.496 20 0 GEADLO CCOC(=O)C[C@H](NC(=O)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000554778929 651212905 /nfs/dbraw/zinc/21/29/05/651212905.db2.gz KXNYUKOQFVKVCO-AWEZNQCLSA-N 1 2 380.242 2.456 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)C2(c3cc(F)cc(Br)c3)CC2)CCO1 ZINC000556811171 651253711 /nfs/dbraw/zinc/25/37/11/651253711.db2.gz RVGRXKJLCAIWLX-LBPRGKRZSA-N 1 2 385.277 2.457 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)C2(c3cc(F)cc(Br)c3)CC2)CCO1 ZINC000556811171 651253712 /nfs/dbraw/zinc/25/37/12/651253712.db2.gz RVGRXKJLCAIWLX-LBPRGKRZSA-N 1 2 385.277 2.457 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(F)cc1Br)C2 ZINC000556835458 651254735 /nfs/dbraw/zinc/25/47/35/651254735.db2.gz FGYSSXFMJNHDQM-LBPRGKRZSA-N 1 2 396.260 2.373 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000559148017 651291590 /nfs/dbraw/zinc/29/15/90/651291590.db2.gz MNWNKBGAXGDUHG-HZSPNIEDSA-N 1 2 390.933 2.467 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000559148017 651291594 /nfs/dbraw/zinc/29/15/94/651291594.db2.gz MNWNKBGAXGDUHG-HZSPNIEDSA-N 1 2 390.933 2.467 20 0 GEADLO O=S1(=O)CCC[C@@H](C[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000560155488 651304256 /nfs/dbraw/zinc/30/42/56/651304256.db2.gz DZMBRWMAVQXMKD-INIZCTEOSA-N 1 2 386.945 2.161 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2csc(-c3cccs3)n2)C1 ZINC000560648249 651313336 /nfs/dbraw/zinc/31/33/36/651313336.db2.gz WJSXKSGWSAUIPK-GFCCVEGCSA-N 1 2 379.507 2.486 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2csc(-c3cccs3)n2)C1 ZINC000560648249 651313337 /nfs/dbraw/zinc/31/33/37/651313337.db2.gz WJSXKSGWSAUIPK-GFCCVEGCSA-N 1 2 379.507 2.486 20 0 GEADLO COC(=O)[C@@H]([NH3+])Cc1cn(CC/C=C\c2ccc(Br)cc2)nn1 ZINC000603227665 651472774 /nfs/dbraw/zinc/47/27/74/651472774.db2.gz NROPWUTZUJPNQI-HKLWWIALSA-N 1 2 379.258 2.187 20 0 GEADLO COC(=O)c1cnc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)nc1 ZINC000561263083 651476924 /nfs/dbraw/zinc/47/69/24/651476924.db2.gz PAIUYRHUYLQEAP-UHFFFAOYSA-N 1 2 390.241 2.636 20 0 GEADLO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000725825287 651480371 /nfs/dbraw/zinc/48/03/71/651480371.db2.gz WKKQDQHGJHPPKE-LLVKDONJSA-N 1 2 380.857 2.460 20 0 GEADLO O=S(=O)(N[C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)ccc1OC(F)F ZINC000643212228 651480385 /nfs/dbraw/zinc/48/03/85/651480385.db2.gz LFGUMCNPXWIWAD-JTQLQIEISA-N 1 2 377.800 2.431 20 0 GEADLO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)s2)c2ccccc2O1 ZINC000643309615 651483130 /nfs/dbraw/zinc/48/31/30/651483130.db2.gz RKZDSJCZLHMHOT-LBPRGKRZSA-N 1 2 380.491 2.121 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+][C@H](CCc2ccccc2)C(F)F)C1 ZINC000562055060 651487550 /nfs/dbraw/zinc/48/75/50/651487550.db2.gz LFHSZMUOYPANTP-HZPDHXFCSA-N 1 2 375.485 2.113 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCc3c(Br)cccc3C2)CCO1 ZINC000726260954 651488739 /nfs/dbraw/zinc/48/87/39/651488739.db2.gz YZJBPNVYWZZBTH-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCc3c(Br)cccc3C2)CCO1 ZINC000726260954 651488745 /nfs/dbraw/zinc/48/87/45/651488745.db2.gz YZJBPNVYWZZBTH-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@H](Cc1cccc(Br)c1)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726256161 651488858 /nfs/dbraw/zinc/48/88/58/651488858.db2.gz KNNJEZMEUBIMKE-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](Cc1cccc(Br)c1)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726256161 651488860 /nfs/dbraw/zinc/48/88/60/651488860.db2.gz KNNJEZMEUBIMKE-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H]1C[N@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC[S@](=O)C1 ZINC000562426489 651495346 /nfs/dbraw/zinc/49/53/46/651495346.db2.gz MBGDEVONFWNNDA-YDBLSZJJSA-N 1 2 378.567 2.395 20 0 GEADLO C[C@@H]1C[N@@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC[S@](=O)C1 ZINC000562426489 651495348 /nfs/dbraw/zinc/49/53/48/651495348.db2.gz MBGDEVONFWNNDA-YDBLSZJJSA-N 1 2 378.567 2.395 20 0 GEADLO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3nc4cccc(Br)c4[nH]3)C[C@@H]21 ZINC000562675309 651499244 /nfs/dbraw/zinc/49/92/44/651499244.db2.gz GPTPQCWXSSDQIK-MFKMUULPSA-N 1 2 378.274 2.171 20 0 GEADLO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3nc4cccc(Br)c4[nH]3)C[C@@H]21 ZINC000562675309 651499252 /nfs/dbraw/zinc/49/92/52/651499252.db2.gz GPTPQCWXSSDQIK-MFKMUULPSA-N 1 2 378.274 2.171 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCO[C@H]4C[C@H]43)[nH+]c12 ZINC000644227515 651526495 /nfs/dbraw/zinc/52/64/95/651526495.db2.gz REMQUFUEZOPTGT-KGLIPLIRSA-N 1 2 379.258 2.130 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCc3c2cccc3Br)CCO1 ZINC000727941932 651533621 /nfs/dbraw/zinc/53/36/21/651533621.db2.gz MLGSEACQHSRZSN-WBMJQRKESA-N 1 2 382.302 2.456 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCc3c2cccc3Br)CCO1 ZINC000727941932 651533627 /nfs/dbraw/zinc/53/36/27/651533627.db2.gz MLGSEACQHSRZSN-WBMJQRKESA-N 1 2 382.302 2.456 20 0 GEADLO C[C@H](CC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000563959223 651547924 /nfs/dbraw/zinc/54/79/24/651547924.db2.gz GJKGFQFYYWUREP-MLGOLLRUSA-N 1 2 391.269 2.296 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)C(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000563972892 651548954 /nfs/dbraw/zinc/54/89/54/651548954.db2.gz OXXRLDCDPPVGNV-HNNXBMFYSA-N 1 2 385.302 2.291 20 0 GEADLO O=C(c1ccccn1)N1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000728912833 651554963 /nfs/dbraw/zinc/55/49/63/651554963.db2.gz ZOPJITNIQATJLY-KRWDZBQOSA-N 1 2 390.281 2.336 20 0 GEADLO CS(=O)(=O)Nc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1Cl ZINC000607215661 651570525 /nfs/dbraw/zinc/57/05/25/651570525.db2.gz LNSZFXPVQRDFMY-UHFFFAOYSA-N 1 2 383.861 2.340 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2OC)CC1 ZINC000644866843 651573139 /nfs/dbraw/zinc/57/31/39/651573139.db2.gz BFLLGPNYJLIDLH-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO CC[NH+](CC)Cc1nc(C2(NS(=O)(=O)c3cscn3)CCCC2)no1 ZINC000564905039 651584005 /nfs/dbraw/zinc/58/40/05/651584005.db2.gz IARIOBWECIMUSW-UHFFFAOYSA-N 1 2 385.515 2.116 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2Cl)CC[N@@H+]1CCOC ZINC000565297865 651591936 /nfs/dbraw/zinc/59/19/36/651591936.db2.gz UCTNRXQCPPXWNK-CQSZACIVSA-N 1 2 390.933 2.470 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2Cl)CC[N@H+]1CCOC ZINC000565297865 651591939 /nfs/dbraw/zinc/59/19/39/651591939.db2.gz UCTNRXQCPPXWNK-CQSZACIVSA-N 1 2 390.933 2.470 20 0 GEADLO COc1ccc(Cl)cc1CN1CCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000645398212 651601641 /nfs/dbraw/zinc/60/16/41/651601641.db2.gz ZUXPFLMFXPWIKF-MRXNPFEDSA-N 1 2 380.901 2.149 20 0 GEADLO Cc1cccc2cc(S(=O)(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)sc21 ZINC000645564982 651621285 /nfs/dbraw/zinc/62/12/85/651621285.db2.gz LVOFSAPNHXIGIH-CQSZACIVSA-N 1 2 381.567 2.372 20 0 GEADLO COC(=O)CCSCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000609613019 651627051 /nfs/dbraw/zinc/62/70/51/651627051.db2.gz ZMFVHANPFJVFDW-QGZVFWFLSA-N 1 2 382.551 2.189 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cn2nc(C)c(Br)c2C)C1 ZINC000731659013 651630426 /nfs/dbraw/zinc/63/04/26/651630426.db2.gz LHEVBSQXFXKBGN-SMDDNHRTSA-N 1 2 387.322 2.083 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cn2nc(C)c(Br)c2C)C1 ZINC000731659013 651630430 /nfs/dbraw/zinc/63/04/30/651630430.db2.gz LHEVBSQXFXKBGN-SMDDNHRTSA-N 1 2 387.322 2.083 20 0 GEADLO CCCC[C@@H]1NC(=O)N(C[NH+]2CCC(n3cc(Br)cn3)CC2)C1=O ZINC000731661720 651630447 /nfs/dbraw/zinc/63/04/47/651630447.db2.gz ASGDPYXZKXPJDY-AWEZNQCLSA-N 1 2 398.305 2.351 20 0 GEADLO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CC[S@@]1=O ZINC000610081533 651644414 /nfs/dbraw/zinc/64/44/14/651644414.db2.gz FFBKSTUSCSECIS-CWKPULSASA-N 1 2 377.279 2.370 20 0 GEADLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)CC[S@@]1=O ZINC000610081533 651644416 /nfs/dbraw/zinc/64/44/16/651644416.db2.gz FFBKSTUSCSECIS-CWKPULSASA-N 1 2 377.279 2.370 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C2CC2)C1 ZINC000732203218 651648402 /nfs/dbraw/zinc/64/84/02/651648402.db2.gz QEFYJWAHWBAZFA-UONOGXRCSA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C2CC2)C1 ZINC000732203218 651648406 /nfs/dbraw/zinc/64/84/06/651648406.db2.gz QEFYJWAHWBAZFA-UONOGXRCSA-N 1 2 394.320 2.385 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000733298584 651698781 /nfs/dbraw/zinc/69/87/81/651698781.db2.gz CEBOLXNABSYUHW-LLVKDONJSA-N 1 2 390.481 2.322 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000733298584 651698786 /nfs/dbraw/zinc/69/87/86/651698786.db2.gz CEBOLXNABSYUHW-LLVKDONJSA-N 1 2 390.481 2.322 20 0 GEADLO OCCNc1nc(NCc2sccc2Br)[nH+]c2ccccc21 ZINC000569952541 651736199 /nfs/dbraw/zinc/73/61/99/651736199.db2.gz NVCLMWJEYOROGU-UHFFFAOYSA-N 1 2 379.283 2.314 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000570003174 651739467 /nfs/dbraw/zinc/73/94/67/651739467.db2.gz OVRYPAZGXPOQIM-UHFFFAOYSA-N 1 2 389.905 2.022 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000570003174 651739471 /nfs/dbraw/zinc/73/94/71/651739471.db2.gz OVRYPAZGXPOQIM-UHFFFAOYSA-N 1 2 389.905 2.022 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000647312404 651743360 /nfs/dbraw/zinc/74/33/60/651743360.db2.gz ZTZDMQYTCWEWCL-WBMJQRKESA-N 1 2 394.896 2.076 20 0 GEADLO O=C([C@H]1CCCS1(=O)=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000570107342 651747463 /nfs/dbraw/zinc/74/74/63/651747463.db2.gz RGFQPCQOPZYZJU-MRXNPFEDSA-N 1 2 381.885 2.143 20 0 GEADLO O=C(CCCOc1cccc(Br)c1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000647679089 651754127 /nfs/dbraw/zinc/75/41/27/651754127.db2.gz NKWVYRIUJWMRAZ-INIZCTEOSA-N 1 2 396.329 2.114 20 0 GEADLO O=C(CCCOc1cccc(Br)c1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000647679089 651754130 /nfs/dbraw/zinc/75/41/30/651754130.db2.gz NKWVYRIUJWMRAZ-INIZCTEOSA-N 1 2 396.329 2.114 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ncc(Br)c2ccsc21 ZINC000647871497 651763906 /nfs/dbraw/zinc/76/39/06/651763906.db2.gz CZIGAVWXBHNLOB-NSHDSACASA-N 1 2 386.315 2.188 20 0 GEADLO C[C@@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@@H]1C[N@H+](C)CCO1 ZINC000612669070 651764811 /nfs/dbraw/zinc/76/48/11/651764811.db2.gz DWQDPISEVPSIRT-RQJHMYQMSA-N 1 2 399.182 2.454 20 0 GEADLO C[C@@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000612669070 651764813 /nfs/dbraw/zinc/76/48/13/651764813.db2.gz DWQDPISEVPSIRT-RQJHMYQMSA-N 1 2 399.182 2.454 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCc2ccc(Br)cc2C1 ZINC000570646363 651780600 /nfs/dbraw/zinc/78/06/00/651780600.db2.gz HGBPIHCLUZPRIA-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCO1 ZINC000735385753 651780776 /nfs/dbraw/zinc/78/07/76/651780776.db2.gz SQTFVHBVZHIJRE-JTQLQIEISA-N 1 2 377.329 2.233 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCO1 ZINC000735385753 651780782 /nfs/dbraw/zinc/78/07/82/651780782.db2.gz SQTFVHBVZHIJRE-JTQLQIEISA-N 1 2 377.329 2.233 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000735626864 651789173 /nfs/dbraw/zinc/78/91/73/651789173.db2.gz JJZZHHDGHNAWBN-LLVKDONJSA-N 1 2 378.876 2.474 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000735626864 651789176 /nfs/dbraw/zinc/78/91/76/651789176.db2.gz JJZZHHDGHNAWBN-LLVKDONJSA-N 1 2 378.876 2.474 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc(-c2cccs2)n[nH]1 ZINC000613682288 651792543 /nfs/dbraw/zinc/79/25/43/651792543.db2.gz JCBMGICABLTMPE-QGZVFWFLSA-N 1 2 378.523 2.076 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC000570849009 651795344 /nfs/dbraw/zinc/79/53/44/651795344.db2.gz OKNUEGZQWBFKTQ-ZDUSSCGKSA-N 1 2 384.527 2.243 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000571299481 651824919 /nfs/dbraw/zinc/82/49/19/651824919.db2.gz SJWBEQBHBWYWJV-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000571299481 651824923 /nfs/dbraw/zinc/82/49/23/651824923.db2.gz SJWBEQBHBWYWJV-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@@H]1[C@H](C)[S@](=O)CCN1CCCCCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000736628836 651829122 /nfs/dbraw/zinc/82/91/22/651829122.db2.gz KUHCYUPNKYHSHN-CNVIAFHXSA-N 1 2 376.632 2.229 20 0 GEADLO C[C@@H]1[C@H](C)[S@](=O)CCN1CCCCCC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000736628836 651829124 /nfs/dbraw/zinc/82/91/24/651829124.db2.gz KUHCYUPNKYHSHN-CNVIAFHXSA-N 1 2 376.632 2.229 20 0 GEADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCCCCCN1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000736628836 651829128 /nfs/dbraw/zinc/82/91/28/651829128.db2.gz KUHCYUPNKYHSHN-CNVIAFHXSA-N 1 2 376.632 2.229 20 0 GEADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCCCCCN1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000736628836 651829130 /nfs/dbraw/zinc/82/91/30/651829130.db2.gz KUHCYUPNKYHSHN-CNVIAFHXSA-N 1 2 376.632 2.229 20 0 GEADLO [NH3+][C@@H](C(=O)N1CCN(CCOc2ccccc2Cl)CC1)c1cscn1 ZINC000571401177 651830751 /nfs/dbraw/zinc/83/07/51/651830751.db2.gz RZXZIXRCSTXUID-MRXNPFEDSA-N 1 2 380.901 2.020 20 0 GEADLO O=C1[C@H]2Cc3c(Br)cccc3CN2C(=O)N1CCn1cc[nH+]c1 ZINC000571506786 651836508 /nfs/dbraw/zinc/83/65/08/651836508.db2.gz AZQJTWWGMBROPS-CQSZACIVSA-N 1 2 375.226 2.035 20 0 GEADLO CC(C)NC(=O)NCC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000571637833 651844941 /nfs/dbraw/zinc/84/49/41/651844941.db2.gz WCCUDZKPWPNPLO-UHFFFAOYSA-N 1 2 376.270 2.090 20 0 GEADLO CC(C)NC(=O)NCC[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000571637833 651844946 /nfs/dbraw/zinc/84/49/46/651844946.db2.gz WCCUDZKPWPNPLO-UHFFFAOYSA-N 1 2 376.270 2.090 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615127739 651850696 /nfs/dbraw/zinc/85/06/96/651850696.db2.gz JTTILYDTHFKRAT-BXUZGUMPSA-N 1 2 379.258 2.426 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615127739 651850699 /nfs/dbraw/zinc/85/06/99/651850699.db2.gz JTTILYDTHFKRAT-BXUZGUMPSA-N 1 2 379.258 2.426 20 0 GEADLO CO[C@@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)c1ccccc1Br ZINC000615557436 651867545 /nfs/dbraw/zinc/86/75/45/651867545.db2.gz HUUFNSKBDQETJQ-WMLDXEAASA-N 1 2 397.313 2.460 20 0 GEADLO CN(C)S(=O)(=O)c1cnn(C[N@H+](C)CCCOc2cccc(Cl)c2)c1 ZINC000738028809 651876504 /nfs/dbraw/zinc/87/65/04/651876504.db2.gz JMCMDCPHWLHVAR-UHFFFAOYSA-N 1 2 386.905 2.145 20 0 GEADLO CN(C)S(=O)(=O)c1cnn(C[N@@H+](C)CCCOc2cccc(Cl)c2)c1 ZINC000738028809 651876508 /nfs/dbraw/zinc/87/65/08/651876508.db2.gz JMCMDCPHWLHVAR-UHFFFAOYSA-N 1 2 386.905 2.145 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000572182792 651877940 /nfs/dbraw/zinc/87/79/40/651877940.db2.gz PJLZOXQVDGVBBY-PHIMTYICSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000572182792 651877942 /nfs/dbraw/zinc/87/79/42/651877942.db2.gz PJLZOXQVDGVBBY-PHIMTYICSA-N 1 2 377.304 2.171 20 0 GEADLO Cn1c[nH+]cc1[C@H]1C[C@@H](NS(=O)(=O)c2cnc3ccsc3c2)CCO1 ZINC000572223428 651879634 /nfs/dbraw/zinc/87/96/34/651879634.db2.gz GLGSEVZIPGYLTM-XHDPSFHLSA-N 1 2 378.479 2.228 20 0 GEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)CCCO1 ZINC000738160443 651882752 /nfs/dbraw/zinc/88/27/52/651882752.db2.gz JJGMFTMDZWLKEX-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)CCCO1 ZINC000738160443 651882759 /nfs/dbraw/zinc/88/27/59/651882759.db2.gz JJGMFTMDZWLKEX-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000572342675 651886173 /nfs/dbraw/zinc/88/61/73/651886173.db2.gz KDTAXXZELLXIQU-UHFFFAOYSA-N 1 2 399.929 2.277 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000572342675 651886176 /nfs/dbraw/zinc/88/61/76/651886176.db2.gz KDTAXXZELLXIQU-UHFFFAOYSA-N 1 2 399.929 2.277 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C)c(Br)c1C ZINC000616406455 651898399 /nfs/dbraw/zinc/89/83/99/651898399.db2.gz ALQXOUYZOBZVHZ-ZDUSSCGKSA-N 1 2 380.242 2.303 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C)c(Br)c1C ZINC000616406455 651898402 /nfs/dbraw/zinc/89/84/02/651898402.db2.gz ALQXOUYZOBZVHZ-ZDUSSCGKSA-N 1 2 380.242 2.303 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000572779551 651911992 /nfs/dbraw/zinc/91/19/92/651911992.db2.gz OLESYSRPEFZVAJ-XHDPSFHLSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000572779551 651911997 /nfs/dbraw/zinc/91/19/97/651911997.db2.gz OLESYSRPEFZVAJ-XHDPSFHLSA-N 1 2 391.269 2.051 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573018008 651928944 /nfs/dbraw/zinc/92/89/44/651928944.db2.gz WXJDGOBCMSYLPD-NSHDSACASA-N 1 2 379.258 2.414 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573018008 651928956 /nfs/dbraw/zinc/92/89/56/651928956.db2.gz WXJDGOBCMSYLPD-NSHDSACASA-N 1 2 379.258 2.414 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cc(C)c(Br)cc2C)CC1 ZINC000652999016 651931405 /nfs/dbraw/zinc/93/14/05/651931405.db2.gz HXDZFXHGSWLAQD-UHFFFAOYSA-N 1 2 399.329 2.487 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000653001886 651931723 /nfs/dbraw/zinc/93/17/23/651931723.db2.gz IASLZJDZCAKMOJ-UHFFFAOYSA-N 1 2 391.295 2.179 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000653001156 651932192 /nfs/dbraw/zinc/93/21/92/651932192.db2.gz FGLYJVQIZZEMIH-UHFFFAOYSA-N 1 2 389.265 2.009 20 0 GEADLO CCOC(=O)[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)CCO1 ZINC000741253151 651942495 /nfs/dbraw/zinc/94/24/95/651942495.db2.gz ZPJVPESKIKDVMS-CQSZACIVSA-N 1 2 385.258 2.042 20 0 GEADLO CCOC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)CCO1 ZINC000741253151 651942504 /nfs/dbraw/zinc/94/25/04/651942504.db2.gz ZPJVPESKIKDVMS-CQSZACIVSA-N 1 2 385.258 2.042 20 0 GEADLO CCOC(=O)[C@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000741255150 651942696 /nfs/dbraw/zinc/94/26/96/651942696.db2.gz QBVSWZVAUZBGLU-CQSZACIVSA-N 1 2 385.258 2.042 20 0 GEADLO CCOC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000741255150 651942710 /nfs/dbraw/zinc/94/27/10/651942710.db2.gz QBVSWZVAUZBGLU-CQSZACIVSA-N 1 2 385.258 2.042 20 0 GEADLO O=C(NC[C@H]1CCCCC1(F)F)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000573418494 651953732 /nfs/dbraw/zinc/95/37/32/651953732.db2.gz BRRXKNMFCOJPFF-GDBMZVCRSA-N 1 2 377.501 2.319 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)[C@H](C)CO1 ZINC000617720836 651966218 /nfs/dbraw/zinc/96/62/18/651966218.db2.gz IDHHJROJZOQWKB-VXGBXAGGSA-N 1 2 396.285 2.358 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)[C@H](C)CO1 ZINC000617720836 651966227 /nfs/dbraw/zinc/96/62/27/651966227.db2.gz IDHHJROJZOQWKB-VXGBXAGGSA-N 1 2 396.285 2.358 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)[C@@H](C)CO1 ZINC000617724352 651967909 /nfs/dbraw/zinc/96/79/09/651967909.db2.gz YRUHIDFKYYRDCZ-WDEREUQCSA-N 1 2 391.256 2.495 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)[C@@H](C)CO1 ZINC000617724352 651967911 /nfs/dbraw/zinc/96/79/11/651967911.db2.gz YRUHIDFKYYRDCZ-WDEREUQCSA-N 1 2 391.256 2.495 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617724844 651968307 /nfs/dbraw/zinc/96/83/07/651968307.db2.gz CNEOSXUJXVKQIF-WDEREUQCSA-N 1 2 386.290 2.000 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617724844 651968313 /nfs/dbraw/zinc/96/83/13/651968313.db2.gz CNEOSXUJXVKQIF-WDEREUQCSA-N 1 2 386.290 2.000 20 0 GEADLO O=C(NCCc1ccc(Br)s1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000654977203 651968671 /nfs/dbraw/zinc/96/86/71/651968671.db2.gz XLIALFRVAUJTMK-TXEJJXNPSA-N 1 2 388.331 2.216 20 0 GEADLO O=C(NCCc1ccc(Br)s1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000654977203 651968673 /nfs/dbraw/zinc/96/86/73/651968673.db2.gz XLIALFRVAUJTMK-TXEJJXNPSA-N 1 2 388.331 2.216 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=S)NCc1ccc(OC(F)(F)F)cc1 ZINC000742994800 652007741 /nfs/dbraw/zinc/00/77/41/652007741.db2.gz JNTCMFYTKPOBNY-GFCCVEGCSA-N 1 2 377.432 2.270 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=S)NCc1ccc(OC(F)(F)F)cc1 ZINC000742994800 652007745 /nfs/dbraw/zinc/00/77/45/652007745.db2.gz JNTCMFYTKPOBNY-GFCCVEGCSA-N 1 2 377.432 2.270 20 0 GEADLO O=C(NCCCc1c(Cl)cccc1Cl)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000656062763 652020002 /nfs/dbraw/zinc/02/00/02/652020002.db2.gz PIQFGJLWQPUGPQ-UHFFFAOYSA-N 1 2 384.307 2.349 20 0 GEADLO Cn1ncc2c1nc(C[N@H+](C)CCOc1ccc(Br)cc1)[nH]c2=O ZINC000618609920 652024902 /nfs/dbraw/zinc/02/49/02/652024902.db2.gz MZAPVPXQSLWOJN-UHFFFAOYSA-N 1 2 392.257 2.342 20 0 GEADLO Cn1ncc2c1nc(C[N@@H+](C)CCOc1ccc(Br)cc1)[nH]c2=O ZINC000618609920 652024908 /nfs/dbraw/zinc/02/49/08/652024908.db2.gz MZAPVPXQSLWOJN-UHFFFAOYSA-N 1 2 392.257 2.342 20 0 GEADLO OCC[N@H+](CCN1CCOCC1)Cc1oc2ccccc2c1Br ZINC000656250500 652028008 /nfs/dbraw/zinc/02/80/08/652028008.db2.gz UPOZWJCCDOHQOL-UHFFFAOYSA-N 1 2 383.286 2.322 20 0 GEADLO OCC[N@@H+](CCN1CCOCC1)Cc1oc2ccccc2c1Br ZINC000656250500 652028010 /nfs/dbraw/zinc/02/80/10/652028010.db2.gz UPOZWJCCDOHQOL-UHFFFAOYSA-N 1 2 383.286 2.322 20 0 GEADLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000656681235 652046094 /nfs/dbraw/zinc/04/60/94/652046094.db2.gz CDDVRPUWBLOTFZ-RYUDHWBXSA-N 1 2 382.511 2.071 20 0 GEADLO C[C@H](Oc1ccc(I)cc1)C(=O)NCCc1c[nH+]cn1C ZINC000619615755 652068965 /nfs/dbraw/zinc/06/89/65/652068965.db2.gz QSYZRSCZFDLALC-NSHDSACASA-N 1 2 399.232 2.151 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2OC)C[C@@H]1C ZINC000656942206 652070382 /nfs/dbraw/zinc/07/03/82/652070382.db2.gz GEGOUVWFZNOEKD-JTQLQIEISA-N 1 2 395.294 2.312 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2OC)C[C@@H]1C ZINC000656942206 652070387 /nfs/dbraw/zinc/07/03/87/652070387.db2.gz GEGOUVWFZNOEKD-JTQLQIEISA-N 1 2 395.294 2.312 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000746320898 652099799 /nfs/dbraw/zinc/09/97/99/652099799.db2.gz VLMIGJVBMTYMAT-UHFFFAOYSA-N 1 2 397.207 2.421 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000746320898 652099793 /nfs/dbraw/zinc/09/97/93/652099793.db2.gz VLMIGJVBMTYMAT-UHFFFAOYSA-N 1 2 397.207 2.421 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000576289393 652103644 /nfs/dbraw/zinc/10/36/44/652103644.db2.gz CFRMANOLCLYVEX-GFCCVEGCSA-N 1 2 393.285 2.287 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000576289393 652103653 /nfs/dbraw/zinc/10/36/53/652103653.db2.gz CFRMANOLCLYVEX-GFCCVEGCSA-N 1 2 393.285 2.287 20 0 GEADLO Cc1cc(C)c(NC(=O)[C@H](C)N2CC[NH+](CC[S@](C)=O)CC2)c(Cl)c1 ZINC000746469740 652108893 /nfs/dbraw/zinc/10/88/93/652108893.db2.gz SYEHPHNZUVMLMX-MQNRADLISA-N 1 2 385.961 2.280 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000746467431 652109053 /nfs/dbraw/zinc/10/90/53/652109053.db2.gz KLMCMLBAPYQWIY-DEOSSOPVSA-N 1 2 392.352 2.318 20 0 GEADLO Cc1cc(C)c(NC(=O)[C@H](C)N2CC[NH+](CC[S@@](C)=O)CC2)c(Cl)c1 ZINC000746469742 652109277 /nfs/dbraw/zinc/10/92/77/652109277.db2.gz SYEHPHNZUVMLMX-ODCWNRFASA-N 1 2 385.961 2.280 20 0 GEADLO O=S(=O)(NCC[NH+]1CCSCC1)c1ccc2nc(Cl)sc2c1 ZINC000746664031 652120396 /nfs/dbraw/zinc/12/03/96/652120396.db2.gz FDWFHIZUJKGSRP-UHFFFAOYSA-N 1 2 377.944 2.277 20 0 GEADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000621253479 652138371 /nfs/dbraw/zinc/13/83/71/652138371.db2.gz HYUSDDJUEZBZLE-CYBMUJFWSA-N 1 2 377.304 2.144 20 0 GEADLO CNS(=O)(=O)CC[N@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000621253479 652138377 /nfs/dbraw/zinc/13/83/77/652138377.db2.gz HYUSDDJUEZBZLE-CYBMUJFWSA-N 1 2 377.304 2.144 20 0 GEADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21)NCc1cccc(Cl)c1 ZINC000621357241 652151483 /nfs/dbraw/zinc/15/14/83/652151483.db2.gz IODLVDOJRLGLFW-QGZVFWFLSA-N 1 2 378.881 2.216 20 0 GEADLO CCC(CC)[C@H](CNC(=O)CSc1n[nH]c(=S)s1)[NH+]1CCOCC1 ZINC000747358700 652159477 /nfs/dbraw/zinc/15/94/77/652159477.db2.gz CNWAIYPSXZJCNB-LBPRGKRZSA-N 1 2 390.600 2.172 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2ccccc2CSC2=NCCS2)CCO1 ZINC000747375952 652160249 /nfs/dbraw/zinc/16/02/49/652160249.db2.gz TUVZSUXKKVDZGT-AWEZNQCLSA-N 1 2 379.551 2.473 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccccc2CSC2=NCCS2)CCO1 ZINC000747375952 652160257 /nfs/dbraw/zinc/16/02/57/652160257.db2.gz TUVZSUXKKVDZGT-AWEZNQCLSA-N 1 2 379.551 2.473 20 0 GEADLO C[C@@H](NC(=O)c1cc2c(cc1Br)OCO2)[C@H](C)[NH+]1CCOCC1 ZINC000621856793 652169316 /nfs/dbraw/zinc/16/93/16/652169316.db2.gz DRQUYBVMCJQQGJ-MNOVXSKESA-N 1 2 385.258 2.017 20 0 GEADLO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Br)c(F)cc1O ZINC000577504792 652193923 /nfs/dbraw/zinc/19/39/23/652193923.db2.gz ONQKEXXPVPUBNW-SNVBAGLBSA-N 1 2 377.254 2.116 20 0 GEADLO S=C1N=NC(Cc2cccs2)N1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000748269099 652197372 /nfs/dbraw/zinc/19/73/72/652197372.db2.gz WYSOHSQUHAIQAH-AWEZNQCLSA-N 1 2 380.539 2.447 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000748405809 652202028 /nfs/dbraw/zinc/20/20/28/652202028.db2.gz LWGXYPQQOITHSL-UHFFFAOYSA-N 1 2 382.873 2.086 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000748456383 652203642 /nfs/dbraw/zinc/20/36/42/652203642.db2.gz AXNWWKQIISOTMT-CYBMUJFWSA-N 1 2 396.241 2.263 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000748456383 652203645 /nfs/dbraw/zinc/20/36/45/652203645.db2.gz AXNWWKQIISOTMT-CYBMUJFWSA-N 1 2 396.241 2.263 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000623255273 652229312 /nfs/dbraw/zinc/22/93/12/652229312.db2.gz YSEZJMORXRVIIW-YPMHNXCESA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000623255273 652229321 /nfs/dbraw/zinc/22/93/21/652229321.db2.gz YSEZJMORXRVIIW-YPMHNXCESA-N 1 2 376.266 2.359 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000623256199 652229383 /nfs/dbraw/zinc/22/93/83/652229383.db2.gz APUUHUAOOLBIQY-GFCCVEGCSA-N 1 2 377.235 2.184 20 0 GEADLO Cc1c(NC(=O)[C@@H]([NH3+])c2cscn2)cccc1S(=O)(=O)NC(C)(C)C ZINC000578126908 652246119 /nfs/dbraw/zinc/24/61/19/652246119.db2.gz COMADFJPYJZMFR-AWEZNQCLSA-N 1 2 382.511 2.167 20 0 GEADLO O=S1(=O)C[C@@H](CNc2cc(N3CCSCC3)nc[nH+]2)c2ccccc21 ZINC000578149616 652247599 /nfs/dbraw/zinc/24/75/99/652247599.db2.gz UEDXDEDHSJAIBA-CYBMUJFWSA-N 1 2 376.507 2.013 20 0 GEADLO O=S1(=O)C[C@@H](CNc2cc(N3CCSCC3)[nH+]cn2)c2ccccc21 ZINC000578149616 652247610 /nfs/dbraw/zinc/24/76/10/652247610.db2.gz UEDXDEDHSJAIBA-CYBMUJFWSA-N 1 2 376.507 2.013 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658338857 652254264 /nfs/dbraw/zinc/25/42/64/652254264.db2.gz MGOIOWQLRZHMEG-ZJUUUORDSA-N 1 2 387.303 2.242 20 0 GEADLO Cc1csc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 ZINC000623860854 652264965 /nfs/dbraw/zinc/26/49/65/652264965.db2.gz HCMIUDJQWQYKSM-GFCCVEGCSA-N 1 2 387.552 2.385 20 0 GEADLO COc1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c(Br)c1 ZINC000578920308 652303554 /nfs/dbraw/zinc/30/35/54/652303554.db2.gz ZSZDJFNAKQCPAJ-UHFFFAOYSA-N 1 2 391.331 2.314 20 0 GEADLO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000625328829 652343266 /nfs/dbraw/zinc/34/32/66/652343266.db2.gz ZKTGSKSUNILDLJ-NVXWUHKLSA-N 1 2 381.270 2.194 20 0 GEADLO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000625328829 652343269 /nfs/dbraw/zinc/34/32/69/652343269.db2.gz ZKTGSKSUNILDLJ-NVXWUHKLSA-N 1 2 381.270 2.194 20 0 GEADLO C[C@@H]1CN(CC[NH+]2CCN(c3ccc(Br)cn3)CC2)C[C@@H](C)O1 ZINC000659825633 652367264 /nfs/dbraw/zinc/36/72/64/652367264.db2.gz CPGLBSSDXBDDHL-HUUCEWRRSA-N 1 2 383.334 2.075 20 0 GEADLO CNC(=O)CCOC1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000751954044 652372862 /nfs/dbraw/zinc/37/28/62/652372862.db2.gz LKYLFTJYNDRMNY-UHFFFAOYSA-N 1 2 395.301 2.373 20 0 GEADLO CO[C@@H](C[NH+]1CCN(S(=O)(=O)c2csc(C)n2)CC1)C1CCCCC1 ZINC000660063755 652381942 /nfs/dbraw/zinc/38/19/42/652381942.db2.gz GTZWRMZCYPWVNR-INIZCTEOSA-N 1 2 387.571 2.353 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000626169496 652383271 /nfs/dbraw/zinc/38/32/71/652383271.db2.gz MFFWYBLBDCRXHR-VXGBXAGGSA-N 1 2 391.896 2.067 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000626169496 652383277 /nfs/dbraw/zinc/38/32/77/652383277.db2.gz MFFWYBLBDCRXHR-VXGBXAGGSA-N 1 2 391.896 2.067 20 0 GEADLO CSCC[C@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C(=O)N(C)C ZINC000580597658 652385372 /nfs/dbraw/zinc/38/53/72/652385372.db2.gz YDOPLTRBURHNNZ-HNNXBMFYSA-N 1 2 385.896 2.359 20 0 GEADLO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)s1 ZINC000660121743 652388583 /nfs/dbraw/zinc/38/85/83/652388583.db2.gz ADSKNULXYLXYOD-KRWDZBQOSA-N 1 2 379.551 2.151 20 0 GEADLO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)s1 ZINC000660121743 652388596 /nfs/dbraw/zinc/38/85/96/652388596.db2.gz ADSKNULXYLXYOD-KRWDZBQOSA-N 1 2 379.551 2.151 20 0 GEADLO COc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000660534298 652405966 /nfs/dbraw/zinc/40/59/66/652405966.db2.gz GDQRRPCYJXTULD-AWEZNQCLSA-N 1 2 398.301 2.074 20 0 GEADLO CCOC(=O)[C@H]1CN(Cc2c[nH+]c3c(C)cc(Br)cn23)CCO1 ZINC000753546833 652410046 /nfs/dbraw/zinc/41/00/46/652410046.db2.gz LKDRUIXLQBQSDQ-CQSZACIVSA-N 1 2 382.258 2.169 20 0 GEADLO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCN(c2ncns2)CC1 ZINC000660712319 652411557 /nfs/dbraw/zinc/41/15/57/652411557.db2.gz ITRDMMHWHVNEJE-GFCCVEGCSA-N 1 2 389.308 2.407 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](CO)C3CCC3)[nH+]c12 ZINC000661016230 652417173 /nfs/dbraw/zinc/41/71/73/652417173.db2.gz KVMOTJMYALMQNA-OAHLLOKOSA-N 1 2 395.301 2.408 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(SC)c(Br)c2)CC1 ZINC000627213552 652419132 /nfs/dbraw/zinc/41/91/32/652419132.db2.gz JQPQBFKDPWBEAU-UHFFFAOYSA-N 1 2 386.315 2.274 20 0 GEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(I)c1 ZINC000753895761 652420209 /nfs/dbraw/zinc/42/02/09/652420209.db2.gz MWCGHJHRXBTFSV-OKILXGFUSA-N 1 2 387.217 2.311 20 0 GEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(I)c1 ZINC000753895761 652420215 /nfs/dbraw/zinc/42/02/15/652420215.db2.gz MWCGHJHRXBTFSV-OKILXGFUSA-N 1 2 387.217 2.311 20 0 GEADLO C[C@H]1COCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753984945 652421996 /nfs/dbraw/zinc/42/19/96/652421996.db2.gz GYDHMHTZKZKRLU-PXAZEXFGSA-N 1 2 396.285 2.142 20 0 GEADLO C[C@H]1COCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753984945 652422001 /nfs/dbraw/zinc/42/20/01/652422001.db2.gz GYDHMHTZKZKRLU-PXAZEXFGSA-N 1 2 396.285 2.142 20 0 GEADLO CS(=O)(=O)[C@@H]1C[N@H+](CCN2CCCc3ccccc32)C[C@H]1C(F)(F)F ZINC000661188220 652422842 /nfs/dbraw/zinc/42/28/42/652422842.db2.gz XSXMHBACTAGJCM-GDBMZVCRSA-N 1 2 376.444 2.347 20 0 GEADLO CS(=O)(=O)[C@@H]1C[N@@H+](CCN2CCCc3ccccc32)C[C@H]1C(F)(F)F ZINC000661188220 652422844 /nfs/dbraw/zinc/42/28/44/652422844.db2.gz XSXMHBACTAGJCM-GDBMZVCRSA-N 1 2 376.444 2.347 20 0 GEADLO CCN(CCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)CC(F)(F)F ZINC000661191779 652423482 /nfs/dbraw/zinc/42/34/82/652423482.db2.gz SRPNZJSBUUCYDQ-QWRGUYRKSA-N 1 2 384.386 2.168 20 0 GEADLO CCN(CCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)CC(F)(F)F ZINC000661191779 652423485 /nfs/dbraw/zinc/42/34/85/652423485.db2.gz SRPNZJSBUUCYDQ-QWRGUYRKSA-N 1 2 384.386 2.168 20 0 GEADLO O=S1(=O)CC[C@@H](CC[NH+]2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000661576276 652432936 /nfs/dbraw/zinc/43/29/36/652432936.db2.gz IOEIFRLYVGSEJG-CQSZACIVSA-N 1 2 387.343 2.396 20 0 GEADLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661576931 652433380 /nfs/dbraw/zinc/43/33/80/652433380.db2.gz RZSSHCMBOCSPKK-RHSMWYFYSA-N 1 2 396.329 2.255 20 0 GEADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661577011 652433400 /nfs/dbraw/zinc/43/34/00/652433400.db2.gz UDIGGHXHMMYRRH-AWEZNQCLSA-N 1 2 384.318 2.112 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000661603642 652434929 /nfs/dbraw/zinc/43/49/29/652434929.db2.gz XQXHFFZWOIVBNL-ZWNOBZJWSA-N 1 2 384.249 2.127 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000661603642 652434931 /nfs/dbraw/zinc/43/49/31/652434931.db2.gz XQXHFFZWOIVBNL-ZWNOBZJWSA-N 1 2 384.249 2.127 20 0 GEADLO O=Cc1cc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cs1 ZINC000754568931 652438920 /nfs/dbraw/zinc/43/89/20/652438920.db2.gz GZYXDVCQZYAIJF-UHFFFAOYSA-N 1 2 378.475 2.123 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000628130645 652452909 /nfs/dbraw/zinc/45/29/09/652452909.db2.gz GNPNEXPMZIHWSH-UHFFFAOYSA-N 1 2 375.485 2.325 20 0 GEADLO COc1ncc(Br)cc1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000628792760 652471095 /nfs/dbraw/zinc/47/10/95/652471095.db2.gz HMULASPIJHIGOR-UHFFFAOYSA-N 1 2 379.258 2.244 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)CS(=O)(=O)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000628969594 652476950 /nfs/dbraw/zinc/47/69/50/652476950.db2.gz VLJLWXPOXNFBFI-AWEZNQCLSA-N 1 2 379.309 2.290 20 0 GEADLO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755951654 652481931 /nfs/dbraw/zinc/48/19/31/652481931.db2.gz FCAVYBYOAXNYPO-OWJWWREXSA-N 1 2 393.336 2.204 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)C3(O)CCSCC3)[nH+]c12 ZINC000756326915 652496426 /nfs/dbraw/zinc/49/64/26/652496426.db2.gz NZZMOSIWNYHDOB-UHFFFAOYSA-N 1 2 398.326 2.322 20 0 GEADLO NC(=O)Cn1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000583857677 652499744 /nfs/dbraw/zinc/49/97/44/652499744.db2.gz YUMOFRUBYVCDQR-CYBMUJFWSA-N 1 2 384.267 2.114 20 0 GEADLO NC(=O)Cn1cc(C[N@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000583857677 652499746 /nfs/dbraw/zinc/49/97/46/652499746.db2.gz YUMOFRUBYVCDQR-CYBMUJFWSA-N 1 2 384.267 2.114 20 0 GEADLO Brc1ccc(-c2nc(CN[C@@H](C3CC3)[C@H]3C[NH2+]CCO3)n[nH]2)cc1 ZINC000583865858 652500468 /nfs/dbraw/zinc/50/04/68/652500468.db2.gz JUBJASJBBGFOFZ-ZBFHGGJFSA-N 1 2 392.301 2.091 20 0 GEADLO Brc1ccc(-c2n[nH]c(CN[C@@H](C3CC3)[C@H]3C[NH2+]CCO3)n2)cc1 ZINC000583865858 652500473 /nfs/dbraw/zinc/50/04/73/652500473.db2.gz JUBJASJBBGFOFZ-ZBFHGGJFSA-N 1 2 392.301 2.091 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(Br)s2)[C@@H](C)CO1 ZINC000663693206 652508948 /nfs/dbraw/zinc/50/89/48/652508948.db2.gz LYPPSIQQYYBLRB-WDEREUQCSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(Br)s2)[C@@H](C)CO1 ZINC000663693206 652508947 /nfs/dbraw/zinc/50/89/47/652508947.db2.gz LYPPSIQQYYBLRB-WDEREUQCSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000584122258 652510187 /nfs/dbraw/zinc/51/01/87/652510187.db2.gz MHLSGKBDYRXIDD-GXTWGEPZSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000584122258 652510188 /nfs/dbraw/zinc/51/01/88/652510188.db2.gz MHLSGKBDYRXIDD-GXTWGEPZSA-N 1 2 380.286 2.318 20 0 GEADLO COc1cc(Br)c(NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)cc1OC ZINC000630808016 652516919 /nfs/dbraw/zinc/51/69/19/652516919.db2.gz NGLSVHUTCNOOOM-HNNXBMFYSA-N 1 2 397.273 2.441 20 0 GEADLO CC1(C)C[NH+](CC(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)C1 ZINC000584419023 652520414 /nfs/dbraw/zinc/52/04/14/652520414.db2.gz SJTORMXQJRJYLI-UHFFFAOYSA-N 1 2 375.782 2.360 20 0 GEADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2cscc2Br)C[C@@H](C)O1 ZINC000631702572 652531653 /nfs/dbraw/zinc/53/16/53/652531653.db2.gz OZKAUFZJUKPVCW-GHMZBOCLSA-N 1 2 397.360 2.288 20 0 GEADLO Cn1ncc(C(F)(F)F)c1S(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000631719811 652532970 /nfs/dbraw/zinc/53/29/70/652532970.db2.gz ALWQBXVBSHEEIS-LLVKDONJSA-N 1 2 382.433 2.082 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)C[C@H]2CCC(F)(F)C2)C[C@@H](C)O1 ZINC000631797676 652534699 /nfs/dbraw/zinc/53/46/99/652534699.db2.gz DNYPPTGEMONMEW-WCVJEAGWSA-N 1 2 380.501 2.325 20 0 GEADLO NS(=O)(=O)c1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000586766559 652540341 /nfs/dbraw/zinc/54/03/41/652540341.db2.gz SJWPSJKFZQAXTG-UHFFFAOYSA-N 1 2 399.925 2.007 20 0 GEADLO O=C(Cc1cccc(I)c1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587044878 652544253 /nfs/dbraw/zinc/54/42/53/652544253.db2.gz AOCMUCDYMHLBGA-ZDUSSCGKSA-N 1 2 381.217 2.161 20 0 GEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cccc(F)c1I ZINC000587066682 652544305 /nfs/dbraw/zinc/54/43/05/652544305.db2.gz YAUQZGJWYXENRJ-SECBINFHSA-N 1 2 385.180 2.372 20 0 GEADLO C[C@H](NS(=O)(=O)C[C@@H]1CCC(F)(F)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000632086696 652550562 /nfs/dbraw/zinc/55/05/62/652550562.db2.gz RGIIGSPYJGXXJW-LSDHHAIUSA-N 1 2 380.501 2.375 20 0 GEADLO Cc1nc(C)c(S(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000632681081 652574830 /nfs/dbraw/zinc/57/48/30/652574830.db2.gz JCSSPYCXNLTBHP-UHFFFAOYSA-N 1 2 384.552 2.187 20 0 GEADLO COc1cc(Br)cc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000666479020 652577818 /nfs/dbraw/zinc/57/78/18/652577818.db2.gz JPJHNUUTTOUJRQ-AWEZNQCLSA-N 1 2 384.274 2.396 20 0 GEADLO CSc1nnc(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000633179805 652588660 /nfs/dbraw/zinc/58/86/60/652588660.db2.gz HDBHPOBRMZVJQS-UHFFFAOYSA-N 1 2 396.567 2.208 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000592202118 652591299 /nfs/dbraw/zinc/59/12/99/652591299.db2.gz ZBJCDRDEZYFFAM-CKYFFXLPSA-N 1 2 375.252 2.176 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000592202118 652591304 /nfs/dbraw/zinc/59/13/04/652591304.db2.gz ZBJCDRDEZYFFAM-CKYFFXLPSA-N 1 2 375.252 2.176 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760431248 652609051 /nfs/dbraw/zinc/60/90/51/652609051.db2.gz WHAOCYMAIOVQEB-GXTWGEPZSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760431248 652609054 /nfs/dbraw/zinc/60/90/54/652609054.db2.gz WHAOCYMAIOVQEB-GXTWGEPZSA-N 1 2 389.308 2.451 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000633767633 652612613 /nfs/dbraw/zinc/61/26/13/652612613.db2.gz WADGBWMMAVSBQK-UONOGXRCSA-N 1 2 378.416 2.002 20 0 GEADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)C1 ZINC000633847597 652615923 /nfs/dbraw/zinc/61/59/23/652615923.db2.gz QFHRQWJUXLNRDE-MRXNPFEDSA-N 1 2 395.297 2.175 20 0 GEADLO C[N@H+]1CCO[C@@H](C(=O)N2CC3(CCOCC3)c3ccc(Br)cc32)C1 ZINC000633847597 652615926 /nfs/dbraw/zinc/61/59/26/652615926.db2.gz QFHRQWJUXLNRDE-MRXNPFEDSA-N 1 2 395.297 2.175 20 0 GEADLO COc1ccc(CCC(=O)N(C)CC[NH+]2CCOCC2)c(Br)c1 ZINC000667999430 652624239 /nfs/dbraw/zinc/62/42/39/652624239.db2.gz FYFSHXAJRAQCEH-UHFFFAOYSA-N 1 2 385.302 2.181 20 0 GEADLO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2c(F)cncc2Br)C1 ZINC000668011471 652624868 /nfs/dbraw/zinc/62/48/68/652624868.db2.gz CBULCOVYFXPDMY-MRVPVSSYSA-N 1 2 384.171 2.484 20 0 GEADLO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2c(F)cncc2Br)C1 ZINC000668011471 652624872 /nfs/dbraw/zinc/62/48/72/652624872.db2.gz CBULCOVYFXPDMY-MRVPVSSYSA-N 1 2 384.171 2.484 20 0 GEADLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)c1ccco1 ZINC000760852307 652626075 /nfs/dbraw/zinc/62/60/75/652626075.db2.gz YBUXCIBLPGQZJT-CQSZACIVSA-N 1 2 380.857 2.457 20 0 GEADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000760955713 652628365 /nfs/dbraw/zinc/62/83/65/652628365.db2.gz MAWHLDITZNPGLU-YDRQLGOLSA-N 1 2 382.507 2.101 20 0 GEADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000760955713 652628370 /nfs/dbraw/zinc/62/83/70/652628370.db2.gz MAWHLDITZNPGLU-YDRQLGOLSA-N 1 2 382.507 2.101 20 0 GEADLO C[C@H]([NH2+]Cc1cc(Br)c(O)c(Br)c1)C(=O)NCCF ZINC000668105630 652629078 /nfs/dbraw/zinc/62/90/78/652629078.db2.gz BZZVCLYEXFQAKZ-ZETCQYMHSA-N 1 2 398.070 2.481 20 0 GEADLO CC(C)(C)n1cc(Br)c(C(=O)NCC[N@@H+]2CCOCC2(C)C)n1 ZINC000668169148 652631265 /nfs/dbraw/zinc/63/12/65/652631265.db2.gz JSEJLWLTVIWBAH-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO CC(C)(C)n1cc(Br)c(C(=O)NCC[N@H+]2CCOCC2(C)C)n1 ZINC000668169148 652631268 /nfs/dbraw/zinc/63/12/68/652631268.db2.gz JSEJLWLTVIWBAH-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO COC(=O)[C@@H]1CN(Cc2c[nH+]c3c(C)cc(Br)cn23)C[C@H](C)O1 ZINC000593682377 652631658 /nfs/dbraw/zinc/63/16/58/652631658.db2.gz PUIHNKJLINFHTN-FZMZJTMJSA-N 1 2 382.258 2.168 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)cc2c1OCCO2)[C@H](C)[NH+]1CCOCC1 ZINC000668320415 652638313 /nfs/dbraw/zinc/63/83/13/652638313.db2.gz ZUAWSYZIPPRHMX-RYUDHWBXSA-N 1 2 399.285 2.059 20 0 GEADLO Cn1c[nH+]cc1CCN1C(=O)C[C@]2(CCc3cc(Br)ccc32)C1=O ZINC000634557921 652643337 /nfs/dbraw/zinc/64/33/37/652643337.db2.gz JPSXBQFVIPZLGW-SFHVURJKSA-N 1 2 388.265 2.368 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000668569698 652648469 /nfs/dbraw/zinc/64/84/69/652648469.db2.gz FXDUHYVTTULFBK-WFASDCNBSA-N 1 2 391.269 2.124 20 0 GEADLO Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000634660793 652650706 /nfs/dbraw/zinc/65/07/06/652650706.db2.gz BHIBYMQZKHVRLB-JTQLQIEISA-N 1 2 388.262 2.386 20 0 GEADLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)CC1 ZINC000594465181 652658419 /nfs/dbraw/zinc/65/84/19/652658419.db2.gz XOFOIJJSMAYDGN-NSHDSACASA-N 1 2 392.880 2.371 20 0 GEADLO C[C@H]([C@H]1C[N@H+](C)CCO1)N1C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000762171463 652678652 /nfs/dbraw/zinc/67/86/52/652678652.db2.gz OIGWEFQQLLHBGU-WKPIXPDZSA-N 1 2 386.279 2.175 20 0 GEADLO C[C@H]([C@H]1C[N@@H+](C)CCO1)N1C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000762171463 652678657 /nfs/dbraw/zinc/67/86/57/652678657.db2.gz OIGWEFQQLLHBGU-WKPIXPDZSA-N 1 2 386.279 2.175 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(-n2cc(Br)cn2)nn1 ZINC000762260941 652683373 /nfs/dbraw/zinc/68/33/73/652683373.db2.gz WZDBYIFLIFKIFG-UHFFFAOYSA-N 1 2 398.224 2.003 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635113616 652692111 /nfs/dbraw/zinc/69/21/11/652692111.db2.gz WKFJMVGURIJRTC-VXGBXAGGSA-N 1 2 377.242 2.339 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635113616 652692119 /nfs/dbraw/zinc/69/21/19/652692119.db2.gz WKFJMVGURIJRTC-VXGBXAGGSA-N 1 2 377.242 2.339 20 0 GEADLO COC(=O)CCN1CCC[C@@H]([NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)C1=O ZINC000595482606 652730337 /nfs/dbraw/zinc/73/03/37/652730337.db2.gz SLMWBFCPZQMGND-VHSXEESVSA-N 1 2 379.404 2.367 20 0 GEADLO O=C(CCc1cc(F)ccc1Br)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670409051 652746774 /nfs/dbraw/zinc/74/67/74/652746774.db2.gz DFSFFNBIZGOYAW-OAHLLOKOSA-N 1 2 384.293 2.027 20 0 GEADLO O=C(CCc1cc(F)ccc1Br)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670409051 652746780 /nfs/dbraw/zinc/74/67/80/652746780.db2.gz DFSFFNBIZGOYAW-OAHLLOKOSA-N 1 2 384.293 2.027 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)s1 ZINC000635842056 652758222 /nfs/dbraw/zinc/75/82/22/652758222.db2.gz FLEOFHBGDCCTOM-SNVBAGLBSA-N 1 2 381.401 2.158 20 0 GEADLO Cc1nc(CNC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cs1 ZINC000670633966 652759383 /nfs/dbraw/zinc/75/93/83/652759383.db2.gz KJRLVMGOPGSOKP-OAHLLOKOSA-N 1 2 380.901 2.140 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)c1cc(Br)cnc1OCC1CC1 ZINC000671793623 652813722 /nfs/dbraw/zinc/81/37/22/652813722.db2.gz FKHVNQLPIWWMKX-UHFFFAOYSA-N 1 2 379.258 2.339 20 0 GEADLO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672152749 652828285 /nfs/dbraw/zinc/82/82/85/652828285.db2.gz MMLLKRABGSMQPN-CQSZACIVSA-N 1 2 381.885 2.222 20 0 GEADLO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000672876912 652848358 /nfs/dbraw/zinc/84/83/58/652848358.db2.gz OQSHMXXUCXRIMH-HNNXBMFYSA-N 1 2 384.929 2.493 20 0 GEADLO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000672876912 652848363 /nfs/dbraw/zinc/84/83/63/652848363.db2.gz OQSHMXXUCXRIMH-HNNXBMFYSA-N 1 2 384.929 2.493 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NCCS(=O)(=O)CC1CC1)c1ccc(Cl)cc1 ZINC000765960215 652860218 /nfs/dbraw/zinc/86/02/18/652860218.db2.gz WCJUVONXCZPVIX-INIZCTEOSA-N 1 2 387.933 2.067 20 0 GEADLO CNS(=O)(=O)c1csc(C(=O)OC[C@H]2CCC[N@@H+]2Cc2ccco2)c1 ZINC000765971993 652860612 /nfs/dbraw/zinc/86/06/12/652860612.db2.gz PMNFDIUBFJOJOP-GFCCVEGCSA-N 1 2 384.479 2.071 20 0 GEADLO CNS(=O)(=O)c1csc(C(=O)OC[C@H]2CCC[N@H+]2Cc2ccco2)c1 ZINC000765971993 652860616 /nfs/dbraw/zinc/86/06/16/652860616.db2.gz PMNFDIUBFJOJOP-GFCCVEGCSA-N 1 2 384.479 2.071 20 0 GEADLO Cc1csc(=O)n1CCC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673471157 652864802 /nfs/dbraw/zinc/86/48/02/652864802.db2.gz LMHYYCLMVPRFGQ-UHFFFAOYSA-N 1 2 380.539 2.229 20 0 GEADLO Cc1cc(Br)ccc1C[N@@H+](C)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000766089492 652866277 /nfs/dbraw/zinc/86/62/77/652866277.db2.gz RCMBWDKFCIAZQA-UHFFFAOYSA-N 1 2 382.258 2.346 20 0 GEADLO Cc1cc(Br)ccc1C[N@H+](C)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000766089492 652866284 /nfs/dbraw/zinc/86/62/84/652866284.db2.gz RCMBWDKFCIAZQA-UHFFFAOYSA-N 1 2 382.258 2.346 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000673572137 652870578 /nfs/dbraw/zinc/87/05/78/652870578.db2.gz VBUIZFAYMPFDHV-QWRGUYRKSA-N 1 2 389.905 2.020 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000673572137 652870584 /nfs/dbraw/zinc/87/05/84/652870584.db2.gz VBUIZFAYMPFDHV-QWRGUYRKSA-N 1 2 389.905 2.020 20 0 GEADLO CN(C(=O)c1cccc2[nH+]ccn21)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000766563593 652887276 /nfs/dbraw/zinc/88/72/76/652887276.db2.gz HCWLYFQPQQCUHY-OAHLLOKOSA-N 1 2 387.237 2.395 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000674367967 652896872 /nfs/dbraw/zinc/89/68/72/652896872.db2.gz DZWMASARIRRHOW-YESZJQIVSA-N 1 2 387.307 2.248 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674626123 652906681 /nfs/dbraw/zinc/90/66/81/652906681.db2.gz LJPOYFTUQQXMSI-MXWKQRLJSA-N 1 2 377.329 2.089 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674626123 652906684 /nfs/dbraw/zinc/90/66/84/652906684.db2.gz LJPOYFTUQQXMSI-MXWKQRLJSA-N 1 2 377.329 2.089 20 0 GEADLO CO[C@@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1CCOC1 ZINC000638886901 652910053 /nfs/dbraw/zinc/91/00/53/652910053.db2.gz MCCHKIQIGIDUSU-OCCSQVGLSA-N 1 2 381.274 2.375 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)s1 ZINC000638914172 652912559 /nfs/dbraw/zinc/91/25/59/652912559.db2.gz ODDLAFHWZMFGNC-UHFFFAOYSA-N 1 2 394.444 2.448 20 0 GEADLO COCCc1ncc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)s1 ZINC000638972110 652915143 /nfs/dbraw/zinc/91/51/43/652915143.db2.gz SWEFCPAVTNQZKV-INIZCTEOSA-N 1 2 387.571 2.158 20 0 GEADLO COCCc1ncc(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)s1 ZINC000638972110 652915147 /nfs/dbraw/zinc/91/51/47/652915147.db2.gz SWEFCPAVTNQZKV-INIZCTEOSA-N 1 2 387.571 2.158 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1Cl ZINC000639163177 652924352 /nfs/dbraw/zinc/92/43/52/652924352.db2.gz UQTAQFDOZGOWKY-ZDUSSCGKSA-N 1 2 386.823 2.267 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1Cl ZINC000639163177 652924355 /nfs/dbraw/zinc/92/43/55/652924355.db2.gz UQTAQFDOZGOWKY-ZDUSSCGKSA-N 1 2 386.823 2.267 20 0 GEADLO COC[C@H]1CCCC[N@@H+]1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639253063 652928732 /nfs/dbraw/zinc/92/87/32/652928732.db2.gz JYWYLNPJZSUEGA-GFCCVEGCSA-N 1 2 377.304 2.097 20 0 GEADLO COC[C@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639253063 652928743 /nfs/dbraw/zinc/92/87/43/652928743.db2.gz JYWYLNPJZSUEGA-GFCCVEGCSA-N 1 2 377.304 2.097 20 0 GEADLO C[N@@H+]1CCN(Cc2cc(Br)c(O)c(Br)c2)[C@H](CO)C1 ZINC000639334483 652933162 /nfs/dbraw/zinc/93/31/62/652933162.db2.gz RYXVMOGIODUDEP-JTQLQIEISA-N 1 2 394.107 2.026 20 0 GEADLO C[N@H+]1CCN(Cc2cc(Br)c(O)c(Br)c2)[C@H](CO)C1 ZINC000639334483 652933166 /nfs/dbraw/zinc/93/31/66/652933166.db2.gz RYXVMOGIODUDEP-JTQLQIEISA-N 1 2 394.107 2.026 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C2CC2)C1 ZINC000639531614 652940236 /nfs/dbraw/zinc/94/02/36/652940236.db2.gz LCSAUVLBWWLYGM-GJZGRUSLSA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C2CC2)C1 ZINC000639531614 652940242 /nfs/dbraw/zinc/94/02/42/652940242.db2.gz LCSAUVLBWWLYGM-GJZGRUSLSA-N 1 2 394.320 2.385 20 0 GEADLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@H]1CCc2ncnn21 ZINC000639619954 652944185 /nfs/dbraw/zinc/94/41/85/652944185.db2.gz JTAGMGFAAKSWGG-OAHLLOKOSA-N 1 2 388.273 2.241 20 0 GEADLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@H]1CCc2ncnn21 ZINC000639619954 652944188 /nfs/dbraw/zinc/94/41/88/652944188.db2.gz JTAGMGFAAKSWGG-OAHLLOKOSA-N 1 2 388.273 2.241 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C2)[nH]1 ZINC000639645115 652945513 /nfs/dbraw/zinc/94/55/13/652945513.db2.gz GQPPRYNOGXQJIK-GWCFXTLKSA-N 1 2 387.267 2.436 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C2)[nH]1 ZINC000639645115 652945521 /nfs/dbraw/zinc/94/55/21/652945521.db2.gz GQPPRYNOGXQJIK-GWCFXTLKSA-N 1 2 387.267 2.436 20 0 GEADLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639774259 652953948 /nfs/dbraw/zinc/95/39/48/652953948.db2.gz TYFCZGHYWUUKGW-YPMHNXCESA-N 1 2 392.257 2.114 20 0 GEADLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639774259 652953953 /nfs/dbraw/zinc/95/39/53/652953953.db2.gz TYFCZGHYWUUKGW-YPMHNXCESA-N 1 2 392.257 2.114 20 0 GEADLO CCN(CC(F)(F)F)C(=O)C[NH+]1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639810702 652956446 /nfs/dbraw/zinc/95/64/46/652956446.db2.gz KAUYYDABPSFDHF-UHFFFAOYSA-N 1 2 379.448 2.232 20 0 GEADLO Nc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)o1 ZINC000639820108 652957707 /nfs/dbraw/zinc/95/77/07/652957707.db2.gz FINYDBUKVJVFQL-JTQLQIEISA-N 1 2 380.246 2.232 20 0 GEADLO Nc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cc3)C2)o1 ZINC000639820108 652957711 /nfs/dbraw/zinc/95/77/11/652957711.db2.gz FINYDBUKVJVFQL-JTQLQIEISA-N 1 2 380.246 2.232 20 0 GEADLO Cc1cc(CNc2ccn(CC[NH+]3CCOCC3)n2)ncc1Br ZINC000623450389 653004586 /nfs/dbraw/zinc/00/45/86/653004586.db2.gz FNPWWTWTHRGDLF-UHFFFAOYSA-N 1 2 380.290 2.293 20 0 GEADLO COc1cc(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)ncc1Br ZINC000639966524 653091241 /nfs/dbraw/zinc/09/12/41/653091241.db2.gz IKTWFUDPANSDBL-QWRGUYRKSA-N 1 2 387.278 2.083 20 0 GEADLO CSc1cccc(C)c1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000771288580 653103636 /nfs/dbraw/zinc/10/36/36/653103636.db2.gz UDCICSWFWOODFP-UHFFFAOYSA-N 1 2 385.555 2.347 20 0 GEADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000771899562 653131771 /nfs/dbraw/zinc/13/17/71/653131771.db2.gz XBZLXPPDSUKONO-GFCCVEGCSA-N 1 2 378.226 2.242 20 0 GEADLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)c1cnc(Cl)n1C)c1ccccc1 ZINC000769428006 653155974 /nfs/dbraw/zinc/15/59/74/653155974.db2.gz BUCMWDHCZGKHJN-ZDUSSCGKSA-N 1 2 379.873 2.069 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000806344203 653160121 /nfs/dbraw/zinc/16/01/21/653160121.db2.gz XDNVXVBRWYUCDT-OLZOCXBDSA-N 1 2 383.290 2.479 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000769513619 653160114 /nfs/dbraw/zinc/16/01/14/653160114.db2.gz DBMJWSYRZDPONB-RBSFLKMASA-N 1 2 387.933 2.063 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000769513619 653160116 /nfs/dbraw/zinc/16/01/16/653160116.db2.gz DBMJWSYRZDPONB-RBSFLKMASA-N 1 2 387.933 2.063 20 0 GEADLO Cn1ncc(Br)c1Cn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000641162497 653163927 /nfs/dbraw/zinc/16/39/27/653163927.db2.gz PKGGUGCPJHYZOS-UHFFFAOYSA-N 1 2 379.237 2.251 20 0 GEADLO O=C1Nc2ccc(Br)cc2CC[C@H]1n1cc(Cn2cc[nH+]c2)nn1 ZINC000641164275 653164371 /nfs/dbraw/zinc/16/43/71/653164371.db2.gz FVYXLDDYKBBPOJ-OAHLLOKOSA-N 1 2 387.241 2.411 20 0 GEADLO Fc1c(Br)ccc(Cn2cc(CC[NH+]3CCOCC3)nn2)c1F ZINC000641168734 653164953 /nfs/dbraw/zinc/16/49/53/653164953.db2.gz IJLWSWNSUFEOJO-UHFFFAOYSA-N 1 2 387.228 2.242 20 0 GEADLO Fc1cc(Br)cc(OCCn2cc(CC[NH+]3CCOCC3)nn2)c1 ZINC000641179093 653166568 /nfs/dbraw/zinc/16/65/68/653166568.db2.gz ZYGYHIHZSTUIHA-UHFFFAOYSA-N 1 2 399.264 2.133 20 0 GEADLO CNC(=O)N[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000681036909 653175831 /nfs/dbraw/zinc/17/58/31/653175831.db2.gz GPLMOJWIGPIOQS-LBPRGKRZSA-N 1 2 384.274 2.114 20 0 GEADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000681036909 653175835 /nfs/dbraw/zinc/17/58/35/653175835.db2.gz GPLMOJWIGPIOQS-LBPRGKRZSA-N 1 2 384.274 2.114 20 0 GEADLO CN1CCc2c(cccc2S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000641271099 653176005 /nfs/dbraw/zinc/17/60/05/653176005.db2.gz VMGNRZDPLQWLHX-QGZVFWFLSA-N 1 2 379.551 2.317 20 0 GEADLO O=C(c1nccn2c(Br)cnc12)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000769763664 653176568 /nfs/dbraw/zinc/17/65/68/653176568.db2.gz ZQPAEJKNOSGLKE-NSHDSACASA-N 1 2 375.230 2.166 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2Cc3cccc(Br)c3C2)C1 ZINC000769780465 653176948 /nfs/dbraw/zinc/17/69/48/653176948.db2.gz WLNPXCWMJLSKJC-CYBMUJFWSA-N 1 2 375.270 2.472 20 0 GEADLO C[N@@H+](Cc1ccc(I)s1)C[C@H]1CCS(=O)(=O)C1 ZINC000602470787 653184048 /nfs/dbraw/zinc/18/40/48/653184048.db2.gz HFTSULJEFABYAY-SECBINFHSA-N 1 2 385.292 2.219 20 0 GEADLO C[N@H+](Cc1ccc(I)s1)C[C@H]1CCS(=O)(=O)C1 ZINC000602470787 653184062 /nfs/dbraw/zinc/18/40/62/653184062.db2.gz HFTSULJEFABYAY-SECBINFHSA-N 1 2 385.292 2.219 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1cc(Br)ccc1F ZINC000807280366 653188207 /nfs/dbraw/zinc/18/82/07/653188207.db2.gz JFLOGGXZNPJMOO-CQSZACIVSA-N 1 2 398.232 2.075 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)c(C)c1F ZINC000807281790 653188833 /nfs/dbraw/zinc/18/88/33/653188833.db2.gz WNADBYHUTADMOU-GFCCVEGCSA-N 1 2 384.205 2.065 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Cl)c(Br)c1 ZINC000807280391 653188925 /nfs/dbraw/zinc/18/89/25/653188925.db2.gz GJFXBFLQVUULPH-LBPRGKRZSA-N 1 2 386.633 2.271 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000807281388 653188935 /nfs/dbraw/zinc/18/89/35/653188935.db2.gz SMZLDFITPNVDRM-SWLSCSKDSA-N 1 2 394.269 2.497 20 0 GEADLO C[C@H](CNS(=O)(=O)CCn1cc[nH+]c1)Oc1cccc(Br)c1 ZINC000641359138 653191957 /nfs/dbraw/zinc/19/19/57/653191957.db2.gz HMOSPYWUOGOZGE-GFCCVEGCSA-N 1 2 388.287 2.033 20 0 GEADLO C[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)Oc1ccccc1Br ZINC000641368710 653193926 /nfs/dbraw/zinc/19/39/26/653193926.db2.gz XPFVFEXWVBRCMY-LBPRGKRZSA-N 1 2 388.287 2.033 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000641386826 653196602 /nfs/dbraw/zinc/19/66/02/653196602.db2.gz LEYJHDAABOCFHB-CRAIPNDOSA-N 1 2 382.551 2.008 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000641386826 653196608 /nfs/dbraw/zinc/19/66/08/653196608.db2.gz LEYJHDAABOCFHB-CRAIPNDOSA-N 1 2 382.551 2.008 20 0 GEADLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000682036739 653204832 /nfs/dbraw/zinc/20/48/32/653204832.db2.gz FHRABHCZJFYMGO-OAHLLOKOSA-N 1 2 380.432 2.480 20 0 GEADLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000682036739 653204863 /nfs/dbraw/zinc/20/48/63/653204863.db2.gz FHRABHCZJFYMGO-OAHLLOKOSA-N 1 2 380.432 2.480 20 0 GEADLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000682036738 653205334 /nfs/dbraw/zinc/20/53/34/653205334.db2.gz FHRABHCZJFYMGO-HNNXBMFYSA-N 1 2 380.432 2.480 20 0 GEADLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000682036738 653205336 /nfs/dbraw/zinc/20/53/36/653205336.db2.gz FHRABHCZJFYMGO-HNNXBMFYSA-N 1 2 380.432 2.480 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000641467937 653210080 /nfs/dbraw/zinc/21/00/80/653210080.db2.gz NHPHGJFGHDDNOY-SMDDNHRTSA-N 1 2 388.262 2.260 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Cc2ccc(Br)c(Cl)c2)CCO1 ZINC000682486641 653213475 /nfs/dbraw/zinc/21/34/75/653213475.db2.gz ZHRSTPLJXUONJV-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Cc2ccc(Br)c(Cl)c2)CCO1 ZINC000682486641 653213481 /nfs/dbraw/zinc/21/34/81/653213481.db2.gz ZHRSTPLJXUONJV-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCCc1ccc(Br)cc1Cl ZINC000641511696 653216324 /nfs/dbraw/zinc/21/63/24/653216324.db2.gz BHEIONKGIITUGT-UHFFFAOYSA-N 1 2 392.706 2.461 20 0 GEADLO C[C@](CO)(NS(=O)(=O)CCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1 ZINC000641525914 653218252 /nfs/dbraw/zinc/21/82/52/653218252.db2.gz DVCSEGVCSZERHY-CQSZACIVSA-N 1 2 378.281 2.017 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCc2cc(F)cc(Br)c2C1 ZINC000641638407 653226596 /nfs/dbraw/zinc/22/65/96/653226596.db2.gz PQAQZXPDDATUAK-UHFFFAOYSA-N 1 2 388.262 2.173 20 0 GEADLO COc1cc(C[NH2+]Cc2cnn(C)n2)cc(Br)c1OC(F)F ZINC000808418618 653229169 /nfs/dbraw/zinc/22/91/69/653229169.db2.gz YIBOIHCRPQBGAJ-UHFFFAOYSA-N 1 2 377.189 2.477 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000683254827 653232545 /nfs/dbraw/zinc/23/25/45/653232545.db2.gz DJUXUJDLGXGTAY-GJZGRUSLSA-N 1 2 392.297 2.175 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000808757181 653234563 /nfs/dbraw/zinc/23/45/63/653234563.db2.gz FZXCJLWIJZJVBV-RISCZKNCSA-N 1 2 386.341 2.259 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000808757181 653234565 /nfs/dbraw/zinc/23/45/65/653234565.db2.gz FZXCJLWIJZJVBV-RISCZKNCSA-N 1 2 386.341 2.259 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCCSCCC(F)(F)F)c(N(C)C)[nH+]1 ZINC000874147579 653270864 /nfs/dbraw/zinc/27/08/64/653270864.db2.gz WUOBKOCVOHSFGV-UHFFFAOYSA-N 1 2 378.420 2.196 20 0 GEADLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000809540142 653280341 /nfs/dbraw/zinc/28/03/41/653280341.db2.gz LSEDPGBNFRPBFY-NSHDSACASA-N 1 2 383.495 2.029 20 0 GEADLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000809540142 653280346 /nfs/dbraw/zinc/28/03/46/653280346.db2.gz LSEDPGBNFRPBFY-NSHDSACASA-N 1 2 383.495 2.029 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000684659673 653285355 /nfs/dbraw/zinc/28/53/55/653285355.db2.gz OCYYOJAMBJCECA-KBPBESRZSA-N 1 2 379.309 2.213 20 0 GEADLO CC1(C)OCC([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CO1 ZINC000775550819 653316537 /nfs/dbraw/zinc/31/65/37/653316537.db2.gz CDQKTVKRNBDSHZ-ZDUSSCGKSA-N 1 2 390.299 2.409 20 0 GEADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000857384197 653318799 /nfs/dbraw/zinc/31/87/99/653318799.db2.gz VYQCZFRJMFNHTA-AAEUAGOBSA-N 1 2 375.300 2.183 20 0 GEADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000857384197 653318804 /nfs/dbraw/zinc/31/88/04/653318804.db2.gz VYQCZFRJMFNHTA-AAEUAGOBSA-N 1 2 375.300 2.183 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1I ZINC000874698319 653332955 /nfs/dbraw/zinc/33/29/55/653332955.db2.gz AWWWBDDEAYPUSS-GFCCVEGCSA-N 1 2 388.249 2.132 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccccc1I ZINC000874698319 653332959 /nfs/dbraw/zinc/33/29/59/653332959.db2.gz AWWWBDDEAYPUSS-GFCCVEGCSA-N 1 2 388.249 2.132 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000874703170 653333279 /nfs/dbraw/zinc/33/32/79/653333279.db2.gz OAXRKSGQTJODDJ-AWEZNQCLSA-N 1 2 385.295 2.411 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000874703170 653333283 /nfs/dbraw/zinc/33/32/83/653333283.db2.gz OAXRKSGQTJODDJ-AWEZNQCLSA-N 1 2 385.295 2.411 20 0 GEADLO C[C@H](c1cccc(NC(=O)c2c(Br)nnn2C)c1)[NH+]1CCOCC1 ZINC000810351590 653335846 /nfs/dbraw/zinc/33/58/46/653335846.db2.gz PITJMRGNKQGGDP-LLVKDONJSA-N 1 2 394.273 2.223 20 0 GEADLO C[C@@]1(CCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1(Cl)Cl ZINC000836249287 653340951 /nfs/dbraw/zinc/34/09/51/653340951.db2.gz IROMKEUKBWLIIX-CABCVRRESA-N 1 2 396.384 2.468 20 0 GEADLO Nc1cc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc(Br)n1 ZINC000874889923 653341293 /nfs/dbraw/zinc/34/12/93/653341293.db2.gz YZYZLFLFXSJLSL-ZDUSSCGKSA-N 1 2 379.233 2.352 20 0 GEADLO C[C@]1(CCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1(Cl)Cl ZINC000836440400 653352100 /nfs/dbraw/zinc/35/21/00/653352100.db2.gz ACBIOWOAQGYKGL-HNNXBMFYSA-N 1 2 390.315 2.311 20 0 GEADLO CC1=C(Br)CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000811487227 653394105 /nfs/dbraw/zinc/39/41/05/653394105.db2.gz MUVPOHWEGJXQMC-HNNXBMFYSA-N 1 2 397.317 2.384 20 0 GEADLO CC1=C(Br)CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000811487227 653394112 /nfs/dbraw/zinc/39/41/12/653394112.db2.gz MUVPOHWEGJXQMC-HNNXBMFYSA-N 1 2 397.317 2.384 20 0 GEADLO Cc1cc(Br)cc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000811516035 653395655 /nfs/dbraw/zinc/39/56/55/653395655.db2.gz BYBBMROASQFOOD-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO Cc1cc(Br)cc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000811516035 653395663 /nfs/dbraw/zinc/39/56/63/653395663.db2.gz BYBBMROASQFOOD-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO CC1=NO[C@@H](CNC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000875964151 653398339 /nfs/dbraw/zinc/39/83/39/653398339.db2.gz CJEZFGKZFJNFAT-CQSZACIVSA-N 1 2 394.273 2.412 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)C[C@H]1C ZINC000859079168 653402168 /nfs/dbraw/zinc/40/21/68/653402168.db2.gz ODWVKGKMZJHFTN-LLVKDONJSA-N 1 2 375.878 2.233 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)C[C@H]1C ZINC000859079168 653402176 /nfs/dbraw/zinc/40/21/76/653402176.db2.gz ODWVKGKMZJHFTN-LLVKDONJSA-N 1 2 375.878 2.233 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1Cl ZINC000859092803 653404107 /nfs/dbraw/zinc/40/41/07/653404107.db2.gz UHAYCIRLHJZDGZ-QWRGUYRKSA-N 1 2 375.878 2.231 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1Cl ZINC000859092803 653404112 /nfs/dbraw/zinc/40/41/12/653404112.db2.gz UHAYCIRLHJZDGZ-QWRGUYRKSA-N 1 2 375.878 2.231 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000837156579 653405615 /nfs/dbraw/zinc/40/56/15/653405615.db2.gz SFTZZYVBISTFMY-SWLSCSKDSA-N 1 2 378.270 2.400 20 0 GEADLO O=C(NC[C@H](O)c1ccccc1Br)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000837197817 653411003 /nfs/dbraw/zinc/41/10/03/653411003.db2.gz FHZCQKFGHVGLLD-SJORKVTESA-N 1 2 397.313 2.242 20 0 GEADLO O=C(NC[C@H](O)c1ccccc1Br)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000837197817 653411006 /nfs/dbraw/zinc/41/10/06/653411006.db2.gz FHZCQKFGHVGLLD-SJORKVTESA-N 1 2 397.313 2.242 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000876261431 653415942 /nfs/dbraw/zinc/41/59/42/653415942.db2.gz GVRFCZDNZJODKX-GVDBMIGSSA-N 1 2 394.313 2.061 20 0 GEADLO CON(C)C(=O)C1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000812293754 653420474 /nfs/dbraw/zinc/42/04/74/653420474.db2.gz YBCVPRPZBFETCN-UHFFFAOYSA-N 1 2 381.274 2.488 20 0 GEADLO COCCNC(=O)C1CC[NH+](Cc2nc(Cl)ccc2Br)CC1 ZINC000876561797 653436115 /nfs/dbraw/zinc/43/61/15/653436115.db2.gz SXPLRKOXVIMKAD-UHFFFAOYSA-N 1 2 390.709 2.472 20 0 GEADLO OCCO[C@H]1CCC[N@H+](Cc2cccc(F)c2I)C1 ZINC000876721462 653444167 /nfs/dbraw/zinc/44/41/67/653444167.db2.gz PBSWJCQDAIHXOE-LBPRGKRZSA-N 1 2 379.213 2.404 20 0 GEADLO OCCO[C@H]1CCC[N@@H+](Cc2cccc(F)c2I)C1 ZINC000876721462 653444169 /nfs/dbraw/zinc/44/41/69/653444169.db2.gz PBSWJCQDAIHXOE-LBPRGKRZSA-N 1 2 379.213 2.404 20 0 GEADLO CC[N@H+](Cc1ccc(C(=O)OC)c(Br)c1)[C@H](C)CS(C)(=O)=O ZINC000876736237 653445177 /nfs/dbraw/zinc/44/51/77/653445177.db2.gz KCAQPICJMWFPQX-LLVKDONJSA-N 1 2 392.315 2.491 20 0 GEADLO CC[N@@H+](Cc1ccc(C(=O)OC)c(Br)c1)[C@H](C)CS(C)(=O)=O ZINC000876736237 653445182 /nfs/dbraw/zinc/44/51/82/653445182.db2.gz KCAQPICJMWFPQX-LLVKDONJSA-N 1 2 392.315 2.491 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OC[C@H](COC)c2ccc(Br)cc2)C1 ZINC000837548179 653448470 /nfs/dbraw/zinc/44/84/70/653448470.db2.gz XUNCGKVXLGWKRI-GOEBONIOSA-N 1 2 386.286 2.443 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OC[C@H](COC)c2ccc(Br)cc2)C1 ZINC000837548179 653448476 /nfs/dbraw/zinc/44/84/76/653448476.db2.gz XUNCGKVXLGWKRI-GOEBONIOSA-N 1 2 386.286 2.443 20 0 GEADLO COC1CC[NH+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)CC1 ZINC000813090908 653460463 /nfs/dbraw/zinc/46/04/63/653460463.db2.gz CRUKEIAWQVMFIU-UHFFFAOYSA-N 1 2 385.511 2.282 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000779567404 653496912 /nfs/dbraw/zinc/49/69/12/653496912.db2.gz PDCRNVPFKPLMCA-BXUZGUMPSA-N 1 2 380.242 2.107 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1Br ZINC000877466959 653518994 /nfs/dbraw/zinc/51/89/94/653518994.db2.gz UOHQLWQKWCXUCY-HUBLWGQQSA-N 1 2 381.270 2.322 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1Br ZINC000877466959 653519018 /nfs/dbraw/zinc/51/90/18/653519018.db2.gz UOHQLWQKWCXUCY-HUBLWGQQSA-N 1 2 381.270 2.322 20 0 GEADLO C[N@@H+](Cc1cn(C[C@H]2CCCO2)nn1)C[C@H](O)c1cccc(Br)c1 ZINC000877588472 653613435 /nfs/dbraw/zinc/61/34/35/653613435.db2.gz QOTCXRKORVMEFK-SJORKVTESA-N 1 2 395.301 2.385 20 0 GEADLO C[N@H+](Cc1cn(C[C@H]2CCCO2)nn1)C[C@H](O)c1cccc(Br)c1 ZINC000877588472 653613436 /nfs/dbraw/zinc/61/34/36/653613436.db2.gz QOTCXRKORVMEFK-SJORKVTESA-N 1 2 395.301 2.385 20 0 GEADLO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc(Br)nn2C)C1 ZINC000877685623 653616638 /nfs/dbraw/zinc/61/66/38/653616638.db2.gz CVAXMGOWLPCWOJ-INIZCTEOSA-N 1 2 388.306 2.363 20 0 GEADLO COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cc(Br)nn2C)C1 ZINC000877685623 653616642 /nfs/dbraw/zinc/61/66/42/653616642.db2.gz CVAXMGOWLPCWOJ-INIZCTEOSA-N 1 2 388.306 2.363 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877737550 653618257 /nfs/dbraw/zinc/61/82/57/653618257.db2.gz HFZOUDQFVLJFGU-BFHYXJOUSA-N 1 2 389.974 2.389 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877737550 653618259 /nfs/dbraw/zinc/61/82/59/653618259.db2.gz HFZOUDQFVLJFGU-BFHYXJOUSA-N 1 2 389.974 2.389 20 0 GEADLO COC(=O)c1cccc(C[NH2+]Cc2c(I)cnn2C)c1 ZINC000877776550 653619351 /nfs/dbraw/zinc/61/93/51/653619351.db2.gz OYSGUTWHBJRNMD-UHFFFAOYSA-N 1 2 385.205 2.101 20 0 GEADLO CONC(=O)C1CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000877786736 653620114 /nfs/dbraw/zinc/62/01/14/653620114.db2.gz VYUYJVRFFNTVBJ-UHFFFAOYSA-N 1 2 384.267 2.464 20 0 GEADLO O=C(C[NH+]1CCN(CCc2ccccc2Br)CC1)N1CCCC1 ZINC000877904272 653622842 /nfs/dbraw/zinc/62/28/42/653622842.db2.gz NIJDJPYVQCVUQU-UHFFFAOYSA-N 1 2 380.330 2.232 20 0 GEADLO O=C1C[C@H](c2ccccc2)[N@H+](C[C@@H](O)c2cc(Br)no2)CCN1 ZINC000878032133 653626764 /nfs/dbraw/zinc/62/67/64/653626764.db2.gz MAQZUDLOIYKJFY-CHWSQXEVSA-N 1 2 380.242 2.034 20 0 GEADLO O=C1C[C@H](c2ccccc2)[N@@H+](C[C@@H](O)c2cc(Br)no2)CCN1 ZINC000878032133 653626765 /nfs/dbraw/zinc/62/67/65/653626765.db2.gz MAQZUDLOIYKJFY-CHWSQXEVSA-N 1 2 380.242 2.034 20 0 GEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860564799 653630872 /nfs/dbraw/zinc/63/08/72/653630872.db2.gz VXGHQWCIBWPDPW-WDEREUQCSA-N 1 2 379.258 2.074 20 0 GEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860564799 653630874 /nfs/dbraw/zinc/63/08/74/653630874.db2.gz VXGHQWCIBWPDPW-WDEREUQCSA-N 1 2 379.258 2.074 20 0 GEADLO CC(C)(C)OC(=O)NC1CC[NH+](C[C@H](O)c2cc(Br)no2)CC1 ZINC000878210822 653631705 /nfs/dbraw/zinc/63/17/05/653631705.db2.gz AGBCNUGMXBPZAC-NSHDSACASA-N 1 2 390.278 2.460 20 0 GEADLO Cn1cc(Br)c(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000814456939 653632801 /nfs/dbraw/zinc/63/28/01/653632801.db2.gz KZBCDPHBTZXCFI-INIZCTEOSA-N 1 2 394.269 2.127 20 0 GEADLO Cn1cc(Br)c(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000814456939 653632804 /nfs/dbraw/zinc/63/28/04/653632804.db2.gz KZBCDPHBTZXCFI-INIZCTEOSA-N 1 2 394.269 2.127 20 0 GEADLO COc1ccc([C@H](C)[NH2+]Cc2nnc3c(=O)n(C)ccn23)cc1Br ZINC000878347219 653635341 /nfs/dbraw/zinc/63/53/41/653635341.db2.gz DKSTYZSHZAOXKF-JTQLQIEISA-N 1 2 392.257 2.050 20 0 GEADLO Cn1ncc(Br)c1CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000878403175 653636806 /nfs/dbraw/zinc/63/68/06/653636806.db2.gz WRDXVBCWBQSUSP-UHFFFAOYSA-N 1 2 393.285 2.196 20 0 GEADLO O=C(COC(=O)c1csc(Cl)n1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000781211600 653639199 /nfs/dbraw/zinc/63/91/99/653639199.db2.gz BFVTZJYBRPPYJB-UHFFFAOYSA-N 1 2 385.898 2.359 20 0 GEADLO OCC[N@@H+](Cc1cccnc1Cl)C[C@H](O)c1cc(Br)no1 ZINC000878543871 653640536 /nfs/dbraw/zinc/64/05/36/653640536.db2.gz DOCRCZHQGVMIOK-JTQLQIEISA-N 1 2 376.638 2.013 20 0 GEADLO OCC[N@H+](Cc1cccnc1Cl)C[C@H](O)c1cc(Br)no1 ZINC000878543871 653640539 /nfs/dbraw/zinc/64/05/39/653640539.db2.gz DOCRCZHQGVMIOK-JTQLQIEISA-N 1 2 376.638 2.013 20 0 GEADLO CCN(CC)S(=O)(=O)N1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000839265945 653645665 /nfs/dbraw/zinc/64/56/65/653645665.db2.gz BKHWGLIIMIUKKJ-UHFFFAOYSA-N 1 2 375.535 2.122 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2c(Br)cnn2C)CC1 ZINC000878854884 653649696 /nfs/dbraw/zinc/64/96/96/653649696.db2.gz OMVJDSJERGZGED-CYBMUJFWSA-N 1 2 392.301 2.026 20 0 GEADLO CCc1noc(C)c1C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000815146249 653653431 /nfs/dbraw/zinc/65/34/31/653653431.db2.gz OVHZGLVOZWYZIT-GFCCVEGCSA-N 1 2 386.905 2.353 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000839824217 653665937 /nfs/dbraw/zinc/66/59/37/653665937.db2.gz HPIXZSJBRQDWBD-HIFRSBDPSA-N 1 2 378.270 2.400 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000839826247 653666098 /nfs/dbraw/zinc/66/60/98/653666098.db2.gz SGXZRRDXGZFSER-CZUORRHYSA-N 1 2 378.270 2.400 20 0 GEADLO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000840046323 653672448 /nfs/dbraw/zinc/67/24/48/653672448.db2.gz DMSVSWPRNSRGEP-HZPDHXFCSA-N 1 2 390.285 2.261 20 0 GEADLO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000840046323 653672451 /nfs/dbraw/zinc/67/24/51/653672451.db2.gz DMSVSWPRNSRGEP-HZPDHXFCSA-N 1 2 390.285 2.261 20 0 GEADLO C[C@]12CC[N@H+](CN3C[C@@](CO)(c4ccccn4)CC3=O)C[C@H]1C2(Cl)Cl ZINC000840067045 653673013 /nfs/dbraw/zinc/67/30/13/653673013.db2.gz MRAACKAWNSSZMH-COXVUDFISA-N 1 2 384.307 2.017 20 0 GEADLO C[C@]12CC[N@@H+](CN3C[C@@](CO)(c4ccccn4)CC3=O)C[C@H]1C2(Cl)Cl ZINC000840067045 653673018 /nfs/dbraw/zinc/67/30/18/653673018.db2.gz MRAACKAWNSSZMH-COXVUDFISA-N 1 2 384.307 2.017 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000840188250 653679108 /nfs/dbraw/zinc/67/91/08/653679108.db2.gz ZTNGHWNFFBBXIE-GFCCVEGCSA-N 1 2 399.310 2.200 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000840188250 653679112 /nfs/dbraw/zinc/67/91/12/653679112.db2.gz ZTNGHWNFFBBXIE-GFCCVEGCSA-N 1 2 399.310 2.200 20 0 GEADLO Cc1cc(C[NH+]2CCC(NS(C)(=O)=O)CC2)c(Br)cc1F ZINC000862215306 653679665 /nfs/dbraw/zinc/67/96/65/653679665.db2.gz KQSYKRIOMHOORL-UHFFFAOYSA-N 1 2 379.295 2.410 20 0 GEADLO Cc1cc(CN2CC[NH+](CC[S@@](C)=O)CC2)c(Br)cc1F ZINC000862248678 653681839 /nfs/dbraw/zinc/68/18/39/653681839.db2.gz PJFDGCIYLQLVFJ-OAQYLSRUSA-N 1 2 377.323 2.393 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(C)c(F)cc1Br ZINC000862250370 653682154 /nfs/dbraw/zinc/68/21/54/653682154.db2.gz JFBOUVOPVUHZRJ-GFCCVEGCSA-N 1 2 379.295 2.410 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(C)c(F)cc1Br ZINC000862250370 653682155 /nfs/dbraw/zinc/68/21/55/653682155.db2.gz JFBOUVOPVUHZRJ-GFCCVEGCSA-N 1 2 379.295 2.410 20 0 GEADLO COCO[C@H](C)c1cc(F)c(C[NH2+]C2(C(N)=O)CC2)cc1Br ZINC000862324235 653682942 /nfs/dbraw/zinc/68/29/42/653682942.db2.gz GWKRTPSOROBQHO-SECBINFHSA-N 1 2 375.238 2.377 20 0 GEADLO COc1cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc(I)c1OC ZINC000783740560 653683612 /nfs/dbraw/zinc/68/36/12/653683612.db2.gz JPKNREZBEJITCH-XHDPSFHLSA-N 1 2 389.233 2.123 20 0 GEADLO COc1cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc(I)c1OC ZINC000783740560 653683615 /nfs/dbraw/zinc/68/36/15/653683615.db2.gz JPKNREZBEJITCH-XHDPSFHLSA-N 1 2 389.233 2.123 20 0 GEADLO Cc1nc(Cl)c(Cl)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000862643308 653690675 /nfs/dbraw/zinc/69/06/75/653690675.db2.gz PFNXEUQQXDUKKO-QGZVFWFLSA-N 1 2 388.295 2.042 20 0 GEADLO Cc1nc(Cl)c(Cl)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000862643308 653690679 /nfs/dbraw/zinc/69/06/79/653690679.db2.gz PFNXEUQQXDUKKO-QGZVFWFLSA-N 1 2 388.295 2.042 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1cc(Cl)ccc1Cl ZINC000862644497 653690860 /nfs/dbraw/zinc/69/08/60/653690860.db2.gz NLPNNMBFDIWCGO-SFHVURJKSA-N 1 2 387.307 2.268 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1cc(Cl)ccc1Cl ZINC000862644497 653690863 /nfs/dbraw/zinc/69/08/63/653690863.db2.gz NLPNNMBFDIWCGO-SFHVURJKSA-N 1 2 387.307 2.268 20 0 GEADLO CS(=O)(=O)N(CC[N@@H+]1CCO[C@H](C(F)(F)F)CC1)Cc1ccccc1 ZINC000880051042 653694600 /nfs/dbraw/zinc/69/46/00/653694600.db2.gz HGGQMBABNOBVFO-HNNXBMFYSA-N 1 2 380.432 2.101 20 0 GEADLO CS(=O)(=O)N(CC[N@H+]1CCO[C@H](C(F)(F)F)CC1)Cc1ccccc1 ZINC000880051042 653694603 /nfs/dbraw/zinc/69/46/03/653694603.db2.gz HGGQMBABNOBVFO-HNNXBMFYSA-N 1 2 380.432 2.101 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000784468913 653695143 /nfs/dbraw/zinc/69/51/43/653695143.db2.gz IYFLAEOUJNEXTP-UHFFFAOYSA-N 1 2 382.258 2.270 20 0 GEADLO C[C@@H]1C[N@H+](CC(=O)NC(=O)NCc2cccs2)CC[C@@H](C(F)(F)F)O1 ZINC000880056121 653695356 /nfs/dbraw/zinc/69/53/56/653695356.db2.gz KXKISQNNNGZVEJ-PWSUYJOCSA-N 1 2 379.404 2.116 20 0 GEADLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)NCc2cccs2)CC[C@@H](C(F)(F)F)O1 ZINC000880056121 653695359 /nfs/dbraw/zinc/69/53/59/653695359.db2.gz KXKISQNNNGZVEJ-PWSUYJOCSA-N 1 2 379.404 2.116 20 0 GEADLO COc1ccc(C(=O)OCCCn2cc[nH+]c2)nc1I ZINC000784487699 653695863 /nfs/dbraw/zinc/69/58/63/653695863.db2.gz DOABKGHNWFPHMU-UHFFFAOYSA-N 1 2 387.177 2.138 20 0 GEADLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cn1cc(I)cn1 ZINC000863293410 653705578 /nfs/dbraw/zinc/70/55/78/653705578.db2.gz BKPUJYRQUSXXDO-UHFFFAOYSA-N 1 2 394.257 2.292 20 0 GEADLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cn1cc(I)cn1 ZINC000863293410 653705582 /nfs/dbraw/zinc/70/55/82/653705582.db2.gz BKPUJYRQUSXXDO-UHFFFAOYSA-N 1 2 394.257 2.292 20 0 GEADLO COc1nc(Br)ccc1NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817392404 653710104 /nfs/dbraw/zinc/71/01/04/653710104.db2.gz QJJFAZBXMVASFY-UHFFFAOYSA-N 1 2 393.241 2.119 20 0 GEADLO O=C(Nc1c2c(ccc1Br)OCC2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000880798062 653713226 /nfs/dbraw/zinc/71/32/26/653713226.db2.gz JCNLBYXEJDILPI-LBPRGKRZSA-N 1 2 396.285 2.322 20 0 GEADLO O=C(Nc1c2c(ccc1Br)OCC2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000880798061 653713264 /nfs/dbraw/zinc/71/32/64/653713264.db2.gz JCNLBYXEJDILPI-GFCCVEGCSA-N 1 2 396.285 2.322 20 0 GEADLO O=C(NCC[N@@H+]1CCCOCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841427576 653716741 /nfs/dbraw/zinc/71/67/41/653716741.db2.gz SMOFAZUMQBHMJC-UHFFFAOYSA-N 1 2 395.253 2.008 20 0 GEADLO O=C(NCC[N@H+]1CCCOCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841427576 653716745 /nfs/dbraw/zinc/71/67/45/653716745.db2.gz SMOFAZUMQBHMJC-UHFFFAOYSA-N 1 2 395.253 2.008 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc2sc(Cl)nc2c1)C[NH+]1CCOCC1 ZINC000841491363 653720595 /nfs/dbraw/zinc/72/05/95/653720595.db2.gz VNAZENPLSZQYRA-LLVKDONJSA-N 1 2 389.930 2.196 20 0 GEADLO O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccc2scnc21 ZINC000841505466 653722876 /nfs/dbraw/zinc/72/28/76/653722876.db2.gz HMHVKGUDAKDESH-KGLIPLIRSA-N 1 2 381.523 2.218 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)[C@H](C)C1 ZINC000841516202 653724972 /nfs/dbraw/zinc/72/49/72/653724972.db2.gz QASKMYANELXAKN-MNOVXSKESA-N 1 2 389.930 2.025 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)[C@H](C)C1 ZINC000841516202 653724974 /nfs/dbraw/zinc/72/49/74/653724974.db2.gz QASKMYANELXAKN-MNOVXSKESA-N 1 2 389.930 2.025 20 0 GEADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ncc(Br)cn1 ZINC000786998026 653732876 /nfs/dbraw/zinc/73/28/76/653732876.db2.gz YSSYMRGFACWYLX-UHFFFAOYSA-N 1 2 391.269 2.001 20 0 GEADLO Cc1cc(I)ccc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864411628 653735277 /nfs/dbraw/zinc/73/52/77/653735277.db2.gz BBHKRYREKPARSN-NSCUHMNNSA-N 1 2 386.233 2.427 20 0 GEADLO Cn1cc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cn1 ZINC000787389319 653738050 /nfs/dbraw/zinc/73/80/50/653738050.db2.gz JTYQPCGCBXPYFD-UHFFFAOYSA-N 1 2 392.301 2.116 20 0 GEADLO CC(C)[C@@H](CNC(=O)c1cnn(C(C)C)c1Br)[NH+]1CCOCC1 ZINC000864669818 653743350 /nfs/dbraw/zinc/74/33/50/653743350.db2.gz NFULWRDJMZQBKK-CQSZACIVSA-N 1 2 387.322 2.313 20 0 GEADLO Cc1nc(C[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)sc1Br ZINC000842150723 653746876 /nfs/dbraw/zinc/74/68/76/653746876.db2.gz WYQXQYDZEXZIGJ-JTQLQIEISA-N 1 2 384.303 2.233 20 0 GEADLO CS(=O)(=O)c1cccnc1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000819271993 653747690 /nfs/dbraw/zinc/74/76/90/653747690.db2.gz ZFOSEGLCBQEZBB-CQSZACIVSA-N 1 2 385.283 2.071 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC[C@@H](O)c2ccccc2Cl)C1 ZINC000881927821 653750736 /nfs/dbraw/zinc/75/07/36/653750736.db2.gz FOHREWLLYXUUBC-QGZVFWFLSA-N 1 2 380.897 2.340 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NC[C@@H](O)c2ccccc2Cl)C1 ZINC000881927821 653750737 /nfs/dbraw/zinc/75/07/37/653750737.db2.gz FOHREWLLYXUUBC-QGZVFWFLSA-N 1 2 380.897 2.340 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000788152860 653750854 /nfs/dbraw/zinc/75/08/54/653750854.db2.gz CBCOAKLNPIEPEL-IUODEOHRSA-N 1 2 394.269 2.182 20 0 GEADLO CCOCC[C@H](O)CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000819476251 653751279 /nfs/dbraw/zinc/75/12/79/653751279.db2.gz YCLCDOCDHNGKLR-HNNXBMFYSA-N 1 2 386.334 2.400 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000882137648 653765261 /nfs/dbraw/zinc/76/52/61/653765261.db2.gz QPCYCRMGVVRULL-OYLFLEFRSA-N 1 2 387.527 2.210 20 0 GEADLO O=S(=O)(C[C@@H](O)C[NH2+]Cc1c(Cl)cncc1Cl)c1cccs1 ZINC000865508286 653767003 /nfs/dbraw/zinc/76/70/03/653767003.db2.gz NFUMDYFMYOSUFY-VIFPVBQESA-N 1 2 381.306 2.374 20 0 GEADLO OC[C@H]([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1ccc(Br)cc1 ZINC000865517963 653767356 /nfs/dbraw/zinc/76/73/56/653767356.db2.gz HQRJZWPVGKBDQM-CVEARBPZSA-N 1 2 381.274 2.043 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)/C=C\c2cccc(Br)c2)C1 ZINC000842878524 653771542 /nfs/dbraw/zinc/77/15/42/653771542.db2.gz CGYBPYJJEZLWBK-BMWLXYDHSA-N 1 2 377.279 2.383 20 0 GEADLO O=C(OCC1CN(c2cccc[nH+]2)C1)c1nccn2c(Br)cnc12 ZINC000842888828 653772007 /nfs/dbraw/zinc/77/20/07/653772007.db2.gz SHTWXOXDSKIBJS-UHFFFAOYSA-N 1 2 388.225 2.180 20 0 GEADLO Cc1cc(CNS(=O)(=O)N=[S@@](=O)(c2ccccc2)N(C)C)cc(C)[nH+]1 ZINC000882271422 653774035 /nfs/dbraw/zinc/77/40/35/653774035.db2.gz WKAQAWGWXGYWQW-DEOSSOPVSA-N 1 2 382.511 2.037 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(Br)c(F)c1 ZINC000842965569 653775188 /nfs/dbraw/zinc/77/51/88/653775188.db2.gz IQCUEXRXIUBUTR-YPMHNXCESA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(Br)c(F)c1 ZINC000842965569 653775190 /nfs/dbraw/zinc/77/51/90/653775190.db2.gz IQCUEXRXIUBUTR-YPMHNXCESA-N 1 2 390.249 2.481 20 0 GEADLO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000865791984 653775266 /nfs/dbraw/zinc/77/52/66/653775266.db2.gz OJCCUOPYKZSPJL-LLVKDONJSA-N 1 2 388.281 2.050 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)COc1ccc(Cl)c(F)c1 ZINC000842968197 653775531 /nfs/dbraw/zinc/77/55/31/653775531.db2.gz UTQRRNOKJQUFDV-JSGCOSHPSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)COc1ccc(Cl)c(F)c1 ZINC000842968197 653775533 /nfs/dbraw/zinc/77/55/33/653775533.db2.gz UTQRRNOKJQUFDV-JSGCOSHPSA-N 1 2 375.824 2.137 20 0 GEADLO F[C@@]1(c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)CC[NH2+]C1 ZINC000843228670 653782132 /nfs/dbraw/zinc/78/21/32/653782132.db2.gz LDSLMQIYLUXAAK-AWEZNQCLSA-N 1 2 379.193 2.442 20 0 GEADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2nc(Cl)cs2)CC1 ZINC000789899463 653782610 /nfs/dbraw/zinc/78/26/10/653782610.db2.gz ULAKIRDSZAYRHH-UHFFFAOYSA-N 1 2 388.921 2.469 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC000882454858 653782800 /nfs/dbraw/zinc/78/28/00/653782800.db2.gz NHZPEIQJZZHFDU-NPMXOYFQSA-N 1 2 377.576 2.268 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)C1CCCCC1 ZINC000882454858 653782805 /nfs/dbraw/zinc/78/28/05/653782805.db2.gz NHZPEIQJZZHFDU-NPMXOYFQSA-N 1 2 377.576 2.268 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(Br)no2)cc1 ZINC000866025285 653783802 /nfs/dbraw/zinc/78/38/02/653783802.db2.gz IGINAMCKUUJPHV-GFCCVEGCSA-N 1 2 380.242 2.450 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(Br)no2)cc1 ZINC000866025285 653783804 /nfs/dbraw/zinc/78/38/04/653783804.db2.gz IGINAMCKUUJPHV-GFCCVEGCSA-N 1 2 380.242 2.450 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000820820774 653784603 /nfs/dbraw/zinc/78/46/03/653784603.db2.gz BJVBHWDQOCSMKT-LLVKDONJSA-N 1 2 379.507 2.130 20 0 GEADLO CCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)cs1 ZINC000820810087 653784613 /nfs/dbraw/zinc/78/46/13/653784613.db2.gz OKMIAGIRLPYDJN-VXGBXAGGSA-N 1 2 381.523 2.376 20 0 GEADLO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866101460 653785932 /nfs/dbraw/zinc/78/59/32/653785932.db2.gz MVJJAUOYMDQLKA-WBMJQRKESA-N 1 2 393.285 2.111 20 0 GEADLO O=C(c1cc(Br)cn2ccnc12)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000866126839 653786513 /nfs/dbraw/zinc/78/65/13/653786513.db2.gz IZHYCQLYJOFUED-CQSZACIVSA-N 1 2 393.285 2.034 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000843433487 653787002 /nfs/dbraw/zinc/78/70/02/653787002.db2.gz BAEIXJSDYOIKKP-KOLCDFICSA-N 1 2 385.283 2.415 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000843433487 653787004 /nfs/dbraw/zinc/78/70/04/653787004.db2.gz BAEIXJSDYOIKKP-KOLCDFICSA-N 1 2 385.283 2.415 20 0 GEADLO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncccc1I ZINC000866256620 653789546 /nfs/dbraw/zinc/78/95/46/653789546.db2.gz QWRILUWVTHSKNV-UHFFFAOYSA-N 1 2 387.265 2.235 20 0 GEADLO O=C1CCCN1[C@H]1CC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000790455248 653792290 /nfs/dbraw/zinc/79/22/90/653792290.db2.gz AEMMNIYRFKICAX-LBPRGKRZSA-N 1 2 380.242 2.011 20 0 GEADLO O=C1CCCN1[C@H]1CC[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000790455248 653792293 /nfs/dbraw/zinc/79/22/93/653792293.db2.gz AEMMNIYRFKICAX-LBPRGKRZSA-N 1 2 380.242 2.011 20 0 GEADLO O=C(Nc1cscc1Br)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000821298900 653794036 /nfs/dbraw/zinc/79/40/36/653794036.db2.gz JVFOKKJFOIGFKK-MFKMUULPSA-N 1 2 375.288 2.329 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCn2cnc(Br)n2)C1 ZINC000821367514 653796175 /nfs/dbraw/zinc/79/61/75/653796175.db2.gz AYGNUZLUDMQFQS-GFCCVEGCSA-N 1 2 388.310 2.372 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCn2cnc(Br)n2)C1 ZINC000821367514 653796177 /nfs/dbraw/zinc/79/61/77/653796177.db2.gz AYGNUZLUDMQFQS-GFCCVEGCSA-N 1 2 388.310 2.372 20 0 GEADLO Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC000866483016 653797852 /nfs/dbraw/zinc/79/78/52/653797852.db2.gz BHHZYFTZCWLVBW-UHFFFAOYSA-N 1 2 385.555 2.009 20 0 GEADLO Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC000866483016 653797854 /nfs/dbraw/zinc/79/78/54/653797854.db2.gz BHHZYFTZCWLVBW-UHFFFAOYSA-N 1 2 385.555 2.009 20 0 GEADLO CC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)C(=O)OC ZINC000790956483 653801754 /nfs/dbraw/zinc/80/17/54/653801754.db2.gz QBFDPDCICLDLKE-CYBMUJFWSA-N 1 2 398.301 2.339 20 0 GEADLO COCCOCC[NH+]1CCN(C(=S)Nc2cc(Cl)ccc2OC)CC1 ZINC000844598018 653809964 /nfs/dbraw/zinc/80/99/64/653809964.db2.gz UTUVTXKJAUHIGR-UHFFFAOYSA-N 1 2 387.933 2.326 20 0 GEADLO O=C1C=C(c2ccc(Br)cc2)CN1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000844709100 653815508 /nfs/dbraw/zinc/81/55/08/653815508.db2.gz QCKWWQSVZFEFHI-MRXNPFEDSA-N 1 2 387.224 2.334 20 0 GEADLO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000844709100 653815509 /nfs/dbraw/zinc/81/55/09/653815509.db2.gz QCKWWQSVZFEFHI-MRXNPFEDSA-N 1 2 387.224 2.334 20 0 GEADLO C[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1N=NC(=O)N1C ZINC000895183866 653821801 /nfs/dbraw/zinc/82/18/01/653821801.db2.gz LAIRFFZRGAXZRQ-SNVBAGLBSA-N 1 2 377.246 2.320 20 0 GEADLO O=C1N(CC[NH2+]Cc2nc3ccccn3c2Br)C[C@H]2CCCCN12 ZINC000895343098 653829153 /nfs/dbraw/zinc/82/91/53/653829153.db2.gz JYIDNROZIVVUBM-CYBMUJFWSA-N 1 2 392.301 2.477 20 0 GEADLO Cn1nc(Br)nc1CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000895410895 653833148 /nfs/dbraw/zinc/83/31/48/653833148.db2.gz JQVHDCIQIGASGY-UHFFFAOYSA-N 1 2 389.301 2.377 20 0 GEADLO OCC1(CO)CC[N@H+](Cc2cc(Br)ccc2Br)C1 ZINC000895434825 653834261 /nfs/dbraw/zinc/83/42/61/653834261.db2.gz WWDCLYZBKCURLB-UHFFFAOYSA-N 1 2 379.092 2.388 20 0 GEADLO OCC1(CO)CC[N@@H+](Cc2cc(Br)ccc2Br)C1 ZINC000895434825 653834263 /nfs/dbraw/zinc/83/42/63/653834263.db2.gz WWDCLYZBKCURLB-UHFFFAOYSA-N 1 2 379.092 2.388 20 0 GEADLO CC1(C)C[C@H]([NH2+]Cc2nnc3n2CCNC3=O)c2cc(Br)ccc21 ZINC000883303987 653834813 /nfs/dbraw/zinc/83/48/13/653834813.db2.gz KOWIBRRYCDVCOV-ZDUSSCGKSA-N 1 2 390.285 2.296 20 0 GEADLO CC[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cc(F)cc(Br)c1 ZINC000883304570 653835169 /nfs/dbraw/zinc/83/51/69/653835169.db2.gz ZTBCDLNVERIFJT-LBPRGKRZSA-N 1 2 382.237 2.164 20 0 GEADLO COc1nccnc1C[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000883386620 653838445 /nfs/dbraw/zinc/83/84/45/653838445.db2.gz JRTKMTTXOMGTHW-ZDUSSCGKSA-N 1 2 377.242 2.291 20 0 GEADLO C[C@H](O)CNc1cc(N2CCC[C@@H]2c2ncc(Br)cn2)nc[nH+]1 ZINC000895712566 653847388 /nfs/dbraw/zinc/84/73/88/653847388.db2.gz FAQMLHDIKLAPBX-CMPLNLGQSA-N 1 2 379.262 2.163 20 0 GEADLO C[C@H](O)CNc1cc(N2CCC[C@@H]2c2ncc(Br)cn2)[nH+]cn1 ZINC000895712566 653847392 /nfs/dbraw/zinc/84/73/92/653847392.db2.gz FAQMLHDIKLAPBX-CMPLNLGQSA-N 1 2 379.262 2.163 20 0 GEADLO Cc1cn(C(C)(C)C(=O)NCCNC(=O)c2ccc(Br)cc2)c[nH+]1 ZINC000895828499 653851803 /nfs/dbraw/zinc/85/18/03/653851803.db2.gz VOWXGZMNSYUPGU-UHFFFAOYSA-N 1 2 393.285 2.235 20 0 GEADLO CCOC(=O)C1=C(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)NC(=O)N[C@H]1C ZINC000792900240 653855197 /nfs/dbraw/zinc/85/51/97/653855197.db2.gz FDTNJZBXNCVWOX-CCUNJIBTSA-N 1 2 376.284 2.021 20 0 GEADLO CCOC(=O)C1=C(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)NC(=O)N[C@H]1C ZINC000792900240 653855199 /nfs/dbraw/zinc/85/51/99/653855199.db2.gz FDTNJZBXNCVWOX-CCUNJIBTSA-N 1 2 376.284 2.021 20 0 GEADLO COC(=O)C1(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CCCCC1 ZINC000792901932 653855271 /nfs/dbraw/zinc/85/52/71/653855271.db2.gz GYFWHJRCCODEDM-DOMZBBRYSA-N 1 2 377.312 2.494 20 0 GEADLO COC(=O)C1(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CCCCC1 ZINC000792901932 653855274 /nfs/dbraw/zinc/85/52/74/653855274.db2.gz GYFWHJRCCODEDM-DOMZBBRYSA-N 1 2 377.312 2.494 20 0 GEADLO CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=S(=O)(CC)CC ZINC000867107210 653879816 /nfs/dbraw/zinc/87/98/16/653879816.db2.gz RZYVRCPWPUAIQT-KRWDZBQOSA-N 1 2 387.571 2.335 20 0 GEADLO CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N=S(=O)(CC)CC ZINC000867107210 653879818 /nfs/dbraw/zinc/87/98/18/653879818.db2.gz RZYVRCPWPUAIQT-KRWDZBQOSA-N 1 2 387.571 2.335 20 0 GEADLO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@H]1CN(C)CC[N@@H+]1C ZINC000896526029 653882181 /nfs/dbraw/zinc/88/21/81/653882181.db2.gz FHDRUTXLOBFYEV-XOYXNHQRSA-N 1 2 392.341 2.085 20 0 GEADLO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@H]1CN(C)CC[N@H+]1C ZINC000896526029 653882182 /nfs/dbraw/zinc/88/21/82/653882182.db2.gz FHDRUTXLOBFYEV-XOYXNHQRSA-N 1 2 392.341 2.085 20 0 GEADLO CC(C)n1cnnc1C[N@H+](C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000793808413 653885534 /nfs/dbraw/zinc/88/55/34/653885534.db2.gz FRKPIPZXJDDOCI-UHFFFAOYSA-N 1 2 391.273 2.421 20 0 GEADLO CC(C)n1cnnc1C[N@@H+](C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000793808413 653885539 /nfs/dbraw/zinc/88/55/39/653885539.db2.gz FRKPIPZXJDDOCI-UHFFFAOYSA-N 1 2 391.273 2.421 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)/C=C\c1ccc(Br)o1)C2 ZINC000846125530 653887929 /nfs/dbraw/zinc/88/79/29/653887929.db2.gz QACWGIAOMBMYKJ-KMSCOEIWSA-N 1 2 394.269 2.226 20 0 GEADLO CCOC(=O)c1ncc(Br)c(N2CCc3c([nH+]cn3CC)C2)n1 ZINC000896655076 653889634 /nfs/dbraw/zinc/88/96/34/653889634.db2.gz UJTFUUHYNGHOLG-UHFFFAOYSA-N 1 2 380.246 2.195 20 0 GEADLO O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896721317 653892654 /nfs/dbraw/zinc/89/26/54/653892654.db2.gz MRMOLLGURVLYGG-AWEZNQCLSA-N 1 2 378.885 2.442 20 0 GEADLO CC(C)(C)OC(=O)NCC[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C(F)F ZINC000824677867 653905002 /nfs/dbraw/zinc/90/50/02/653905002.db2.gz KIFTUDHCLIORFX-UPJWGTAASA-N 1 2 384.489 2.480 20 0 GEADLO C[C@@]1(CCNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@]1(F)Cl ZINC000846728982 653908073 /nfs/dbraw/zinc/90/80/73/653908073.db2.gz MTMOZNBAJKBLEY-IAGOWNOFSA-N 1 2 387.908 2.043 20 0 GEADLO C[C@@]1(CCNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@]1(F)Cl ZINC000846728982 653908075 /nfs/dbraw/zinc/90/80/75/653908075.db2.gz MTMOZNBAJKBLEY-IAGOWNOFSA-N 1 2 387.908 2.043 20 0 GEADLO O=C1Nc2ncc(Br)cc2C[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000897225154 653911962 /nfs/dbraw/zinc/91/19/62/653911962.db2.gz ZHFUHVLXIPVTCW-NSHDSACASA-N 1 2 375.230 2.184 20 0 GEADLO O=C1Nc2ncc(Br)cc2C[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000897225154 653911964 /nfs/dbraw/zinc/91/19/64/653911964.db2.gz ZHFUHVLXIPVTCW-NSHDSACASA-N 1 2 375.230 2.184 20 0 GEADLO O=c1oc2cccc(Br)c2n1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000794630221 653914408 /nfs/dbraw/zinc/91/44/08/653914408.db2.gz DYIXVYWMFHDKLV-NSHDSACASA-N 1 2 383.242 2.399 20 0 GEADLO O=c1oc2cccc(Br)c2n1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000794630221 653914413 /nfs/dbraw/zinc/91/44/13/653914413.db2.gz DYIXVYWMFHDKLV-NSHDSACASA-N 1 2 383.242 2.399 20 0 GEADLO FC(F)(F)CCCCNC(=S)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000794973222 653925908 /nfs/dbraw/zinc/92/59/08/653925908.db2.gz SRORNYBLRAYYGT-AWEZNQCLSA-N 1 2 385.521 2.391 20 0 GEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000847381562 653926410 /nfs/dbraw/zinc/92/64/10/653926410.db2.gz ANDYGCLWXKMSLB-AWEZNQCLSA-N 1 2 384.889 2.029 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N[C@@H]1CCn2c[nH+]cc21 ZINC000825513443 653931962 /nfs/dbraw/zinc/93/19/62/653931962.db2.gz UDJOMTPHTWHFQU-ZYHUDNBSSA-N 1 2 375.226 2.333 20 0 GEADLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000847568108 653935062 /nfs/dbraw/zinc/93/50/62/653935062.db2.gz VXAYJAGDBXYQIW-ZWNOBZJWSA-N 1 2 376.400 2.193 20 0 GEADLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000847568108 653935065 /nfs/dbraw/zinc/93/50/65/653935065.db2.gz VXAYJAGDBXYQIW-ZWNOBZJWSA-N 1 2 376.400 2.193 20 0 GEADLO C[C@@]1(NS(=O)(=O)c2nc[nH]c2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000867466224 653936634 /nfs/dbraw/zinc/93/66/34/653936634.db2.gz LOBQJBQFWXETNM-OAHLLOKOSA-N 1 2 399.314 2.115 20 0 GEADLO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]Cc1nc2c(s1)CCC2 ZINC000897976549 653946631 /nfs/dbraw/zinc/94/66/31/653946631.db2.gz BDUSDWQEFZJNNB-NSHDSACASA-N 1 2 379.283 2.442 20 0 GEADLO COc1nccc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)c1F ZINC000897979309 653948295 /nfs/dbraw/zinc/94/82/95/653948295.db2.gz ZWBDVKMDVGJKQS-LLVKDONJSA-N 1 2 381.205 2.040 20 0 GEADLO CCn1c2ccccc2n(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1=S ZINC000795668500 653962645 /nfs/dbraw/zinc/96/26/45/653962645.db2.gz BIWIZHPMVCRIBH-UHFFFAOYSA-N 1 2 382.555 2.411 20 0 GEADLO CO[C@H]1C[C@@H]([N@H+](C)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000795675161 653962789 /nfs/dbraw/zinc/96/27/89/653962789.db2.gz PVNYADBINOVQTJ-JKIFEVAISA-N 1 2 396.285 2.283 20 0 GEADLO CO[C@H]1C[C@@H]([N@@H+](C)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000795675161 653962792 /nfs/dbraw/zinc/96/27/92/653962792.db2.gz PVNYADBINOVQTJ-JKIFEVAISA-N 1 2 396.285 2.283 20 0 GEADLO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2nc(Cl)ccc2Br)C1 ZINC000898349726 653964149 /nfs/dbraw/zinc/96/41/49/653964149.db2.gz CGHGBMBXZXRGMM-BXKDBHETSA-N 1 2 392.681 2.036 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC[C@H](N4CCOC4=O)C3)c[nH+]c12 ZINC000827000172 653970022 /nfs/dbraw/zinc/97/00/22/653970022.db2.gz IEIFWLSIBOLLIH-ZDUSSCGKSA-N 1 2 379.258 2.432 20 0 GEADLO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898488876 653973372 /nfs/dbraw/zinc/97/33/72/653973372.db2.gz JSPWOUYFTFSRIS-KGLIPLIRSA-N 1 2 377.526 2.183 20 0 GEADLO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898488876 653973378 /nfs/dbraw/zinc/97/33/78/653973378.db2.gz JSPWOUYFTFSRIS-KGLIPLIRSA-N 1 2 377.526 2.183 20 0 GEADLO Cc1ccc(C[N@@H+]2CC[C@@H](NS(=O)(=O)c3nc[nH]c3Br)C2)cc1 ZINC000867690679 653973641 /nfs/dbraw/zinc/97/36/41/653973641.db2.gz WQRGDBLXNPMYKC-CYBMUJFWSA-N 1 2 399.314 2.033 20 0 GEADLO Cc1ccc(C[N@H+]2CC[C@@H](NS(=O)(=O)c3nc[nH]c3Br)C2)cc1 ZINC000867690679 653973645 /nfs/dbraw/zinc/97/36/45/653973645.db2.gz WQRGDBLXNPMYKC-CYBMUJFWSA-N 1 2 399.314 2.033 20 0 GEADLO CCc1nn(C)cc1S(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000886396042 653980387 /nfs/dbraw/zinc/98/03/87/653980387.db2.gz ZCGBBVHYVHGULC-UHFFFAOYSA-N 1 2 386.905 2.377 20 0 GEADLO Cc1cnccc1C[NH+]1CCC(n2nncc2I)CC1 ZINC000827284465 653984445 /nfs/dbraw/zinc/98/44/45/653984445.db2.gz UQFZXXVXZUSVRY-UHFFFAOYSA-N 1 2 383.237 2.423 20 0 GEADLO COC(=O)c1ncsc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000867793257 653987598 /nfs/dbraw/zinc/98/75/98/653987598.db2.gz GIGUXDNNCCBACZ-ZDUSSCGKSA-N 1 2 387.527 2.005 20 0 GEADLO COC(=O)c1ncsc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000867793257 653987603 /nfs/dbraw/zinc/98/76/03/653987603.db2.gz GIGUXDNNCCBACZ-ZDUSSCGKSA-N 1 2 387.527 2.005 20 0 GEADLO COC(=O)c1ncsc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000867793256 653987709 /nfs/dbraw/zinc/98/77/09/653987709.db2.gz GIGUXDNNCCBACZ-CYBMUJFWSA-N 1 2 387.527 2.005 20 0 GEADLO COC(=O)c1ncsc1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000867793256 653987712 /nfs/dbraw/zinc/98/77/12/653987712.db2.gz GIGUXDNNCCBACZ-CYBMUJFWSA-N 1 2 387.527 2.005 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000898892158 653991334 /nfs/dbraw/zinc/99/13/34/653991334.db2.gz NYYZIJQLVBLPPZ-HNNXBMFYSA-N 1 2 393.285 2.246 20 0 GEADLO CN1CC[NH+](C2CCN(C(=O)c3cccc(Br)c3O)CC2)CC1 ZINC000827445827 653992022 /nfs/dbraw/zinc/99/20/22/653992022.db2.gz YXEBHFMXQZZSSZ-UHFFFAOYSA-N 1 2 382.302 2.007 20 0 GEADLO Cc1c(Cl)c(C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)sc1S(N)(=O)=O ZINC000886597970 653993095 /nfs/dbraw/zinc/99/30/95/653993095.db2.gz QMWYHDPYLSZFNN-NSHDSACASA-N 1 2 393.962 2.160 20 0 GEADLO Cc1c(Cl)c(C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)sc1S(N)(=O)=O ZINC000886597970 653993097 /nfs/dbraw/zinc/99/30/97/653993097.db2.gz QMWYHDPYLSZFNN-NSHDSACASA-N 1 2 393.962 2.160 20 0 GEADLO OCCOCC1(O)CC[NH+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000886751514 653997929 /nfs/dbraw/zinc/99/79/29/653997929.db2.gz SMAAWLLHQOBZPX-UHFFFAOYSA-N 1 2 378.694 2.438 20 0 GEADLO CCOC(=O)C1=C(C[NH2+][C@H](C)c2ccc(Br)cn2)NC(=O)N[C@@H]1C ZINC000796497938 653999125 /nfs/dbraw/zinc/99/91/25/653999125.db2.gz HNVZBCJDDSNKAG-NXEZZACHSA-N 1 2 397.273 2.013 20 0 GEADLO O=C(NCc1csc(C(F)(F)F)c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000827619671 654000655 /nfs/dbraw/zinc/00/06/55/654000655.db2.gz BLCFEQDIIBECQR-OLZOCXBDSA-N 1 2 378.416 2.263 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886800695 654000697 /nfs/dbraw/zinc/00/06/97/654000697.db2.gz AYLMEHLAIQTDPU-HNNXBMFYSA-N 1 2 380.794 2.212 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886800695 654000702 /nfs/dbraw/zinc/00/07/02/654000702.db2.gz AYLMEHLAIQTDPU-HNNXBMFYSA-N 1 2 380.794 2.212 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000867875369 654002209 /nfs/dbraw/zinc/00/22/09/654002209.db2.gz FOSANWOKFATVNK-AUYOJAJCSA-N 1 2 394.313 2.032 20 0 GEADLO O=C(NC1(c2ncc(Br)cn2)CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000886839153 654004424 /nfs/dbraw/zinc/00/44/24/654004424.db2.gz VWLXNNOYUGEQAS-NSHDSACASA-N 1 2 376.258 2.194 20 0 GEADLO O=C(N[C@@H]1COc2cccc(Br)c2C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000828027410 654016952 /nfs/dbraw/zinc/01/69/52/654016952.db2.gz QZBFJBZGPCTCQR-NEPJUHHUSA-N 1 2 376.254 2.328 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cccc3scnc32)CC1 ZINC000849406759 654025331 /nfs/dbraw/zinc/02/53/31/654025331.db2.gz BTIZKFHOJBQVFH-CYBMUJFWSA-N 1 2 381.523 2.170 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cccc3scnc32)CC1 ZINC000849406759 654025333 /nfs/dbraw/zinc/02/53/33/654025333.db2.gz BTIZKFHOJBQVFH-CYBMUJFWSA-N 1 2 381.523 2.170 20 0 GEADLO Brc1ccc2c(c1)[C@H](n1cc(CC[NH+]3CCOCC3)nn1)CCO2 ZINC000899739576 654031370 /nfs/dbraw/zinc/03/13/70/654031370.db2.gz NGGCONULHQFMLA-MRXNPFEDSA-N 1 2 393.285 2.287 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)Nc1ccc(I)cc1F ZINC000869250093 654081102 /nfs/dbraw/zinc/08/11/02/654081102.db2.gz MUELMDAFQYEIBX-OWOJBTEDSA-N 1 2 390.196 2.257 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(C(=O)C(F)(F)c2ccccc2Br)[C@H](C)C1 ZINC000829910107 654083950 /nfs/dbraw/zinc/08/39/50/654083950.db2.gz CCNPWZYIENFZSU-NEPJUHHUSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(C(=O)C(F)(F)c2ccccc2Br)[C@H](C)C1 ZINC000829910107 654083953 /nfs/dbraw/zinc/08/39/53/654083953.db2.gz CCNPWZYIENFZSU-NEPJUHHUSA-N 1 2 391.256 2.454 20 0 GEADLO O=C(CN1CCC=C(Br)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000799328044 654092614 /nfs/dbraw/zinc/09/26/14/654092614.db2.gz DOLUXCCGUUTWBP-UHFFFAOYSA-N 1 2 384.343 2.377 20 0 GEADLO C[C@H]1CCN(C(=O)c2cc3ncc(Br)cn3n2)C[C@@H]1n1cc[nH+]c1 ZINC000901040014 654104440 /nfs/dbraw/zinc/10/44/40/654104440.db2.gz IWGWFMZBTRAWIN-FZMZJTMJSA-N 1 2 389.257 2.412 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000916882196 654110300 /nfs/dbraw/zinc/11/03/00/654110300.db2.gz FYGGZLVOKZJLQC-GJZGRUSLSA-N 1 2 383.290 2.021 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2c2cncc(Br)c2)C1 ZINC000916882196 654110308 /nfs/dbraw/zinc/11/03/08/654110308.db2.gz FYGGZLVOKZJLQC-GJZGRUSLSA-N 1 2 383.290 2.021 20 0 GEADLO C/C(=C/C(=O)NCCNc1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000901358958 654122548 /nfs/dbraw/zinc/12/25/48/654122548.db2.gz DQTABGRSAULKGP-KAMYIIQDSA-N 1 2 382.302 2.256 20 0 GEADLO CCOC(=O)C1([S@@](C)=O)CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000830543959 654125288 /nfs/dbraw/zinc/12/52/88/654125288.db2.gz AZUNXLQPKJUCCS-ODCWNRFASA-N 1 2 391.892 2.289 20 0 GEADLO CC1CC[NH+]([C@H](CNC(=O)[C@]2(F)CCS(=O)(=O)C2)c2cccs2)CC1 ZINC000901457194 654126038 /nfs/dbraw/zinc/12/60/38/654126038.db2.gz UAEFYBWJGMYEQQ-PBHICJAKSA-N 1 2 388.530 2.164 20 0 GEADLO Cn1nc(C(F)(F)F)c(NC(=O)NCC[N@@H+]2CCOCC2(C)C)c1Cl ZINC000889192213 654128029 /nfs/dbraw/zinc/12/80/29/654128029.db2.gz RNSMWXGNLMRFHJ-UHFFFAOYSA-N 1 2 383.802 2.325 20 0 GEADLO Cn1nc(C(F)(F)F)c(NC(=O)NCC[N@H+]2CCOCC2(C)C)c1Cl ZINC000889192213 654128034 /nfs/dbraw/zinc/12/80/34/654128034.db2.gz RNSMWXGNLMRFHJ-UHFFFAOYSA-N 1 2 383.802 2.325 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)C2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000800107502 654129751 /nfs/dbraw/zinc/12/97/51/654129751.db2.gz RDCZGQYUCYYBMD-GFCCVEGCSA-N 1 2 382.254 2.489 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)C2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000800107502 654129753 /nfs/dbraw/zinc/12/97/53/654129753.db2.gz RDCZGQYUCYYBMD-GFCCVEGCSA-N 1 2 382.254 2.489 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)[C@H](C)CO1 ZINC000889210350 654131769 /nfs/dbraw/zinc/13/17/69/654131769.db2.gz GXCGXQRBEBXVRF-RKDXNWHRSA-N 1 2 383.802 2.323 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)[C@H](C)CO1 ZINC000889210350 654131772 /nfs/dbraw/zinc/13/17/72/654131772.db2.gz GXCGXQRBEBXVRF-RKDXNWHRSA-N 1 2 383.802 2.323 20 0 GEADLO Cn1nc2cc(Br)ccc2c1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000830673220 654134860 /nfs/dbraw/zinc/13/48/60/654134860.db2.gz AQRYILRQBKXBHF-BETUJISGSA-N 1 2 394.269 2.356 20 0 GEADLO Cn1nc2cc(Br)ccc2c1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000830673220 654134865 /nfs/dbraw/zinc/13/48/65/654134865.db2.gz AQRYILRQBKXBHF-BETUJISGSA-N 1 2 394.269 2.356 20 0 GEADLO C/C(=C/c1ccc(Br)o1)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870056446 654141537 /nfs/dbraw/zinc/14/15/37/654141537.db2.gz IXVQOGFDFIXHPQ-VSKPTYQZSA-N 1 2 399.285 2.005 20 0 GEADLO C[C@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000870065402 654141944 /nfs/dbraw/zinc/14/19/44/654141944.db2.gz NOFPLABBARDNPJ-YOEHRIQHSA-N 1 2 397.313 2.112 20 0 GEADLO C[C@H](Sc1ccccc1Cl)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870070012 654142030 /nfs/dbraw/zinc/14/20/30/654142030.db2.gz OLMWDQFEEDENKK-GJZGRUSLSA-N 1 2 384.929 2.380 20 0 GEADLO C[C@@H](C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000870065400 654142091 /nfs/dbraw/zinc/14/20/91/654142091.db2.gz NOFPLABBARDNPJ-RHSMWYFYSA-N 1 2 397.313 2.112 20 0 GEADLO COc1cccc([C@@H]2CN(C(=O)CCn3cc(Br)cn3)CC[NH2+]2)c1 ZINC000870149434 654146511 /nfs/dbraw/zinc/14/65/11/654146511.db2.gz JJNDOMRCZVNTMI-INIZCTEOSA-N 1 2 393.285 2.217 20 0 GEADLO CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CCC(NS(C)(=O)=O)CC2)s1 ZINC000800507761 654147598 /nfs/dbraw/zinc/14/75/98/654147598.db2.gz XXGASQIKSLHQSL-UHFFFAOYSA-N 1 2 390.531 2.004 20 0 GEADLO Cc1nn(C)c(Br)c1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000800904395 654165251 /nfs/dbraw/zinc/16/52/51/654165251.db2.gz GCEGOWLFUOBQCS-UHFFFAOYSA-N 1 2 376.258 2.420 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)NCC[C@@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000889814236 654177953 /nfs/dbraw/zinc/17/79/53/654177953.db2.gz FZSNMIODKPPJMW-JKSUJKDBSA-N 1 2 387.933 2.209 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)NCC[C@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000889814233 654178026 /nfs/dbraw/zinc/17/80/26/654178026.db2.gz FZSNMIODKPPJMW-CVEARBPZSA-N 1 2 387.933 2.209 20 0 GEADLO CC[C@H](C[NH+](C)C)OC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000870549851 654181226 /nfs/dbraw/zinc/18/12/26/654181226.db2.gz IOMXCNLPSDLMLK-CYBMUJFWSA-N 1 2 383.495 2.441 20 0 GEADLO COC(=O)c1ncn(C[N@@H+]2CCC[C@H]2COc2ccc(Br)cc2)n1 ZINC000902522999 654181295 /nfs/dbraw/zinc/18/12/95/654181295.db2.gz HNFZCGIVYRNQAV-ZDUSSCGKSA-N 1 2 395.257 2.328 20 0 GEADLO COC(=O)c1ncn(C[N@H+]2CCC[C@H]2COc2ccc(Br)cc2)n1 ZINC000902522999 654181298 /nfs/dbraw/zinc/18/12/98/654181298.db2.gz HNFZCGIVYRNQAV-ZDUSSCGKSA-N 1 2 395.257 2.328 20 0 GEADLO CCn1c[nH+]c2c1CCN(Cn1nc(N(C(C)=O)C3CC3)sc1=S)C2 ZINC000902551140 654182959 /nfs/dbraw/zinc/18/29/59/654182959.db2.gz QDMAAKVQTVQSCJ-UHFFFAOYSA-N 1 2 378.527 2.422 20 0 GEADLO CCn1c[nH+]c2c1CCN(CN1C(=O)C(=O)c3ccc(Br)cc31)C2 ZINC000902551454 654183002 /nfs/dbraw/zinc/18/30/02/654183002.db2.gz RYIZMWXMKOQZHE-UHFFFAOYSA-N 1 2 389.253 2.211 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)[C@H](C)C1 ZINC000831496036 654187525 /nfs/dbraw/zinc/18/75/25/654187525.db2.gz RDMQOUVXEGHBCW-SECBINFHSA-N 1 2 382.711 2.212 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)[C@H](C)C1 ZINC000831496036 654187532 /nfs/dbraw/zinc/18/75/32/654187532.db2.gz RDMQOUVXEGHBCW-SECBINFHSA-N 1 2 382.711 2.212 20 0 GEADLO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000902625142 654189201 /nfs/dbraw/zinc/18/92/01/654189201.db2.gz WYHOUYWBMYECHQ-INIZCTEOSA-N 1 2 393.281 2.470 20 0 GEADLO O=C1C=C(c2ccc(Br)cc2)CN1C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000902625142 654189202 /nfs/dbraw/zinc/18/92/02/654189202.db2.gz WYHOUYWBMYECHQ-INIZCTEOSA-N 1 2 393.281 2.470 20 0 GEADLO CC(C)Cn1c(CCC(N)=O)nn(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)c1=S ZINC000902673748 654192560 /nfs/dbraw/zinc/19/25/60/654192560.db2.gz HEOBYCLGSQQDID-DYVFJYSZSA-N 1 2 383.587 2.130 20 0 GEADLO CC(C)Cn1c(CCC(N)=O)nn(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)c1=S ZINC000902673748 654192565 /nfs/dbraw/zinc/19/25/65/654192565.db2.gz HEOBYCLGSQQDID-DYVFJYSZSA-N 1 2 383.587 2.130 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2c(F)cccc2Cl)CC1 ZINC000831625866 654195118 /nfs/dbraw/zinc/19/51/18/654195118.db2.gz IQGHSWJUBDOZDB-UHFFFAOYSA-N 1 2 377.869 2.110 20 0 GEADLO C[C@@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000919999600 654198347 /nfs/dbraw/zinc/19/83/47/654198347.db2.gz KNVDDBGCUYQMPH-ZWNOBZJWSA-N 1 2 399.866 2.271 20 0 GEADLO C[C@@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@H]1C[N@@H+](C)CCN1C ZINC000919999600 654198351 /nfs/dbraw/zinc/19/83/51/654198351.db2.gz KNVDDBGCUYQMPH-ZWNOBZJWSA-N 1 2 399.866 2.271 20 0 GEADLO C[C@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000919999598 654198741 /nfs/dbraw/zinc/19/87/41/654198741.db2.gz KNVDDBGCUYQMPH-GXFFZTMASA-N 1 2 399.866 2.271 20 0 GEADLO C[C@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@H]1C[N@@H+](C)CCN1C ZINC000919999598 654198745 /nfs/dbraw/zinc/19/87/45/654198745.db2.gz KNVDDBGCUYQMPH-GXFFZTMASA-N 1 2 399.866 2.271 20 0 GEADLO CCCn1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)nn1 ZINC000902987673 654207558 /nfs/dbraw/zinc/20/75/58/654207558.db2.gz JQWZMOVHGJFROT-ZDUSSCGKSA-N 1 2 385.921 2.279 20 0 GEADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@H]2CC2(Cl)Cl)C1 ZINC000851970423 654209860 /nfs/dbraw/zinc/20/98/60/654209860.db2.gz WHAHQLQALFJHHD-CVEARBPZSA-N 1 2 385.339 2.296 20 0 GEADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@H]2CC2(Cl)Cl)C1 ZINC000851970423 654209865 /nfs/dbraw/zinc/20/98/65/654209865.db2.gz WHAHQLQALFJHHD-CVEARBPZSA-N 1 2 385.339 2.296 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@](C)(CO)Cc1ccc(Br)cc1 ZINC000870944090 654212005 /nfs/dbraw/zinc/21/20/05/654212005.db2.gz BEKZQINPGFZPTL-SJCJKPOMSA-N 1 2 380.286 2.461 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@](C)(CO)Cc1ccc(Br)cc1 ZINC000870944090 654212010 /nfs/dbraw/zinc/21/20/10/654212010.db2.gz BEKZQINPGFZPTL-SJCJKPOMSA-N 1 2 380.286 2.461 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000903088886 654215895 /nfs/dbraw/zinc/21/58/95/654215895.db2.gz VEKWRFNOZOPFJO-CQSZACIVSA-N 1 2 389.543 2.244 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)N1CCn2ncc(Br)c2C1 ZINC000852121021 654218909 /nfs/dbraw/zinc/21/89/09/654218909.db2.gz GOIORTTVGAUEAQ-UHFFFAOYSA-N 1 2 379.262 2.068 20 0 GEADLO O=C(NCC[C@H]1CNC(=O)C1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000831963309 654220137 /nfs/dbraw/zinc/22/01/37/654220137.db2.gz YLJIPPBWGNZVBU-DYVFJYSZSA-N 1 2 394.313 2.228 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000920923674 654227071 /nfs/dbraw/zinc/22/70/71/654227071.db2.gz DAOSEAJLLLQSMT-IUODEOHRSA-N 1 2 378.416 2.063 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000920923674 654227078 /nfs/dbraw/zinc/22/70/78/654227078.db2.gz DAOSEAJLLLQSMT-IUODEOHRSA-N 1 2 378.416 2.063 20 0 GEADLO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1sccc1Br ZINC000903229163 654229666 /nfs/dbraw/zinc/22/96/66/654229666.db2.gz FAEOHELICQBFFT-MRVPVSSYSA-N 1 2 389.362 2.219 20 0 GEADLO C[C@H]([NH2+]Cc1ncc(Br)cn1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903317572 654233920 /nfs/dbraw/zinc/23/39/20/654233920.db2.gz DNXVEZPFRUFPIG-NSHDSACASA-N 1 2 399.314 2.340 20 0 GEADLO CC(=O)N(C)C1CC[NH+](CN2Cc3ccc(Br)cc3C2=O)CC1 ZINC000802727896 654237192 /nfs/dbraw/zinc/23/71/92/654237192.db2.gz SWTSSUMYDAGXGY-UHFFFAOYSA-N 1 2 380.286 2.305 20 0 GEADLO O=C1CCCN1C1CC[NH+](CN2Cc3ccc(Br)cc3C2=O)CC1 ZINC000802730236 654237626 /nfs/dbraw/zinc/23/76/26/654237626.db2.gz UDRSBAWLVOFWMO-UHFFFAOYSA-N 1 2 392.297 2.449 20 0 GEADLO Cc1ncsc1C[NH+]1CCC(n2nncc2I)CC1 ZINC000852532288 654245982 /nfs/dbraw/zinc/24/59/82/654245982.db2.gz HDVGRAOBBGQZJN-UHFFFAOYSA-N 1 2 389.266 2.485 20 0 GEADLO C[C@H]1CN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c2cc(F)ccc2C[NH2+]1 ZINC000871806175 654261292 /nfs/dbraw/zinc/26/12/92/654261292.db2.gz XTQQMINRFLYVES-RULNZOCKSA-N 1 2 377.507 2.265 20 0 GEADLO Cc1nc2sccn2c(=O)c1CC[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832389462 654263451 /nfs/dbraw/zinc/26/34/51/654263451.db2.gz HJQHZOPJXNECJP-UHFFFAOYSA-N 1 2 378.523 2.423 20 0 GEADLO Cc1nc2sccn2c(=O)c1CC[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832389462 654263454 /nfs/dbraw/zinc/26/34/54/654263454.db2.gz HJQHZOPJXNECJP-UHFFFAOYSA-N 1 2 378.523 2.423 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000832671274 654285816 /nfs/dbraw/zinc/28/58/16/654285816.db2.gz CEHKVVIRBQNVHS-HNNXBMFYSA-N 1 2 395.301 2.403 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000832671274 654285819 /nfs/dbraw/zinc/28/58/19/654285819.db2.gz CEHKVVIRBQNVHS-HNNXBMFYSA-N 1 2 395.301 2.403 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000891405997 654291910 /nfs/dbraw/zinc/29/19/10/654291910.db2.gz HQTVPWATFGYXQY-UHFFFAOYSA-N 1 2 395.301 2.397 20 0 GEADLO [NH3+][C@@H](c1nc([C@H]2CC(=O)N(C3CC3)C2)no1)c1ccc(Br)cc1 ZINC000904095208 654301148 /nfs/dbraw/zinc/30/11/48/654301148.db2.gz YJBJBRZYGKYEBB-IINYFYTJSA-N 1 2 377.242 2.359 20 0 GEADLO Cc1nonc1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804268924 654303751 /nfs/dbraw/zinc/30/37/51/654303751.db2.gz NGWQPGADCBXKTD-UHFFFAOYSA-N 1 2 380.202 2.273 20 0 GEADLO FCCn1cc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)cn1 ZINC000921695157 654306374 /nfs/dbraw/zinc/30/63/74/654306374.db2.gz QLFCYALQRDROLF-UHFFFAOYSA-N 1 2 379.237 2.486 20 0 GEADLO Cc1nc(NC[C@H](O)CNC(=O)OC(C)(C)C)c(Br)c(C)[nH+]1 ZINC000853651740 654313248 /nfs/dbraw/zinc/31/32/48/654313248.db2.gz NMOHYXKJZYMSGB-JTQLQIEISA-N 1 2 375.267 2.153 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(c2cc(Br)cnc2Br)[C@H](C)C1 ZINC000804624111 654315466 /nfs/dbraw/zinc/31/54/66/654315466.db2.gz JYGADDLVYHRUDZ-ZJUUUORDSA-N 1 2 393.123 2.498 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(c2cc(Br)cnc2Br)[C@H](C)C1 ZINC000804624111 654315474 /nfs/dbraw/zinc/31/54/74/654315474.db2.gz JYGADDLVYHRUDZ-ZJUUUORDSA-N 1 2 393.123 2.498 20 0 GEADLO O=C(NCC1SCCS1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000853718393 654317532 /nfs/dbraw/zinc/31/75/32/654317532.db2.gz HNHVRRBTXQWHBX-INIZCTEOSA-N 1 2 381.567 2.035 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000854067342 654339409 /nfs/dbraw/zinc/33/94/09/654339409.db2.gz ZDOJVLMPVSOGNH-OAHLLOKOSA-N 1 2 379.258 2.466 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCSCc1ccnc(Cl)c1 ZINC000921940085 654345219 /nfs/dbraw/zinc/34/52/19/654345219.db2.gz KVALSNZBOMUMNR-HNNXBMFYSA-N 1 2 386.949 2.378 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3COC[C@@H]3C)[nH+]c12 ZINC000921938463 654345429 /nfs/dbraw/zinc/34/54/29/654345429.db2.gz FVXSXALMQDBGIQ-SMDDNHRTSA-N 1 2 381.274 2.282 20 0 GEADLO Cn1cc(Br)c(C[NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)n1 ZINC000905274938 654347416 /nfs/dbraw/zinc/34/74/16/654347416.db2.gz VCQIYMNQCKHNOA-GFCCVEGCSA-N 1 2 379.258 2.193 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)NCc2ncc(Br)cn2)c1C ZINC000892517331 654349718 /nfs/dbraw/zinc/34/97/18/654349718.db2.gz HJYZNYKPVFWMFA-UHFFFAOYSA-N 1 2 380.246 2.259 20 0 GEADLO Cc1ccc(/C=C\C(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)c(Br)c1 ZINC000854353830 654354842 /nfs/dbraw/zinc/35/48/42/654354842.db2.gz HAKYQOWIDUIORP-OGZRUICASA-N 1 2 378.314 2.277 20 0 GEADLO Cc1ccc(/C=C\C(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)c(Br)c1 ZINC000854353830 654354847 /nfs/dbraw/zinc/35/48/47/654354847.db2.gz HAKYQOWIDUIORP-OGZRUICASA-N 1 2 378.314 2.277 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)s1 ZINC000922025758 654356842 /nfs/dbraw/zinc/35/68/42/654356842.db2.gz JWMOCEVOLAACFA-UKRRQHHQSA-N 1 2 387.571 2.296 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)s1 ZINC000922025758 654356845 /nfs/dbraw/zinc/35/68/45/654356845.db2.gz JWMOCEVOLAACFA-UKRRQHHQSA-N 1 2 387.571 2.296 20 0 GEADLO C[C@@]1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1(Br)Br ZINC000854418628 654359937 /nfs/dbraw/zinc/35/99/37/654359937.db2.gz AALUQHRZRFORHX-KWQFWETISA-N 1 2 377.080 2.210 20 0 GEADLO Cc1cncc(Br)c1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000892700209 654360065 /nfs/dbraw/zinc/36/00/65/654360065.db2.gz GDSOSUQOYDWLGI-INIZCTEOSA-N 1 2 390.281 2.414 20 0 GEADLO Cc1cncc(Br)c1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000892700209 654360071 /nfs/dbraw/zinc/36/00/71/654360071.db2.gz GDSOSUQOYDWLGI-INIZCTEOSA-N 1 2 390.281 2.414 20 0 GEADLO CCN1C[C@@H]([NH2+]Cc2nc(Br)c(Br)n2CC)CC1=O ZINC000922159243 654372835 /nfs/dbraw/zinc/37/28/35/654372835.db2.gz MGXWZKDXZIPARQ-QMMMGPOBSA-N 1 2 394.111 2.138 20 0 GEADLO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854725971 654379501 /nfs/dbraw/zinc/37/95/01/654379501.db2.gz DOSNALNZGVANMQ-RDJZCZTQSA-N 1 2 395.297 2.076 20 0 GEADLO O=C(c1cc(Br)ncc1Cl)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854726244 654379535 /nfs/dbraw/zinc/37/95/35/654379535.db2.gz AEOMNGDRXCUKEI-NSHDSACASA-N 1 2 388.693 2.434 20 0 GEADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC000872645443 654385294 /nfs/dbraw/zinc/38/52/94/654385294.db2.gz PTCYOPNITKBVBY-CQSZACIVSA-N 1 2 384.502 2.203 20 0 GEADLO C[C@@H](c1ccsc1)[NH+]1CCN(c2nc(Cl)ccc2S(N)(=O)=O)CC1 ZINC000893200178 654388668 /nfs/dbraw/zinc/38/86/68/654388668.db2.gz QKBHEYXQIJGJSO-NSHDSACASA-N 1 2 386.930 2.327 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000854933616 654389836 /nfs/dbraw/zinc/38/98/36/654389836.db2.gz CVTYKXGYOMPNBV-IIAWOOMASA-N 1 2 378.270 2.478 20 0 GEADLO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000922492453 654397361 /nfs/dbraw/zinc/39/73/61/654397361.db2.gz UEKWBDKNSSKPJD-UHFFFAOYSA-N 1 2 393.962 2.087 20 0 GEADLO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1ncc(Br)s1 ZINC000922494716 654397695 /nfs/dbraw/zinc/39/76/95/654397695.db2.gz JEDZPEMXHFSHIC-UHFFFAOYSA-N 1 2 399.192 2.020 20 0 GEADLO C[C@]12CCN(C(=O)Cn3cc[nH+]c3)C[C@H]1C2(Br)Br ZINC000855323543 654411760 /nfs/dbraw/zinc/41/17/60/654411760.db2.gz HEDGNCPWNJXIDF-KOLCDFICSA-N 1 2 377.080 2.238 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C(F)(F)Br)nc2)[C@H](C)CO1 ZINC000855405886 654417040 /nfs/dbraw/zinc/41/70/40/654417040.db2.gz AJTILFSBTWHDNJ-GHMZBOCLSA-N 1 2 392.244 2.365 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C(F)(F)Br)nc2)[C@H](C)CO1 ZINC000855405886 654417041 /nfs/dbraw/zinc/41/70/41/654417041.db2.gz AJTILFSBTWHDNJ-GHMZBOCLSA-N 1 2 392.244 2.365 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C(F)(F)Br)nc2)[C@@H](C)CO1 ZINC000855405889 654417078 /nfs/dbraw/zinc/41/70/78/654417078.db2.gz AJTILFSBTWHDNJ-WDEREUQCSA-N 1 2 392.244 2.365 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C(F)(F)Br)nc2)[C@@H](C)CO1 ZINC000855405889 654417083 /nfs/dbraw/zinc/41/70/83/654417083.db2.gz AJTILFSBTWHDNJ-WDEREUQCSA-N 1 2 392.244 2.365 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(Br)cnc1Cl ZINC000855411918 654417477 /nfs/dbraw/zinc/41/74/77/654417477.db2.gz QXBYCNSVUANPCP-ZJUUUORDSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(Br)cnc1Cl ZINC000855411918 654417480 /nfs/dbraw/zinc/41/74/80/654417480.db2.gz QXBYCNSVUANPCP-ZJUUUORDSA-N 1 2 376.682 2.337 20 0 GEADLO CC[NH+](CC)[C@@H](C(=O)NCCS(=O)(=O)CC(F)(F)F)c1ccccc1 ZINC000855575365 654426453 /nfs/dbraw/zinc/42/64/53/654426453.db2.gz MYLNQCAIIXDLHQ-CQSZACIVSA-N 1 2 380.432 2.163 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000893946047 654432936 /nfs/dbraw/zinc/43/29/36/654432936.db2.gz KFNDEVXODROCBS-DGCLKSJQSA-N 1 2 382.473 2.186 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000893946047 654432941 /nfs/dbraw/zinc/43/29/41/654432941.db2.gz KFNDEVXODROCBS-DGCLKSJQSA-N 1 2 382.473 2.186 20 0 GEADLO C[N@H+](CC(=O)[O-])C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923233764 654435550 /nfs/dbraw/zinc/43/55/50/654435550.db2.gz YWGDAVGWCNJRLP-CQSZACIVSA-N 1 2 391.295 2.214 20 0 GEADLO C[N@@H+](CC(=O)[O-])C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923233764 654435552 /nfs/dbraw/zinc/43/55/52/654435552.db2.gz YWGDAVGWCNJRLP-CQSZACIVSA-N 1 2 391.295 2.214 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NC[C@H](n2cccn2)C(F)(F)F)n1 ZINC000923386889 654448098 /nfs/dbraw/zinc/44/80/98/654448098.db2.gz BSOQZSCDEHCJIB-NSHDSACASA-N 1 2 376.408 2.004 20 0 GEADLO Cn1cc(C(=O)NCCCCNc2cccc[nH+]2)c(I)n1 ZINC000906577186 654450410 /nfs/dbraw/zinc/45/04/10/654450410.db2.gz KHNFFWFQMZXKAO-UHFFFAOYSA-N 1 2 399.236 2.042 20 0 GEADLO CO[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000906581983 654450931 /nfs/dbraw/zinc/45/09/31/654450931.db2.gz KJHZILVCUCHNFG-GYSYKLTISA-N 1 2 391.331 2.424 20 0 GEADLO O=C1C[C@H](CNc2[nH+]cnc3c2cnn3-c2cccc(Br)c2)CN1 ZINC000894184941 654453838 /nfs/dbraw/zinc/45/38/38/654453838.db2.gz HWFXITHKQOSXCG-JTQLQIEISA-N 1 2 387.241 2.126 20 0 GEADLO COC(=O)c1cnc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000894197400 654454706 /nfs/dbraw/zinc/45/47/06/654454706.db2.gz SUGIKDABROWKQW-NSHDSACASA-N 1 2 383.495 2.031 20 0 GEADLO CN(C)C[C@H](Cc1ccccc1)[NH2+]Cc1cn(C)nc1I ZINC000894201047 654455347 /nfs/dbraw/zinc/45/53/47/654455347.db2.gz ZXEPYRIXMSJEAB-HNNXBMFYSA-N 1 2 398.292 2.287 20 0 GEADLO CC(C)c1nnc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)s1 ZINC000894252082 654459195 /nfs/dbraw/zinc/45/91/95/654459195.db2.gz URGVKWDDAKLNQJ-UHFFFAOYSA-N 1 2 376.454 2.008 20 0 GEADLO CCn1c(C[N@H+](CC)CCOCCO)nc(Br)c1Br ZINC000894256033 654459892 /nfs/dbraw/zinc/45/98/92/654459892.db2.gz BJVUKTVFXSJCEF-UHFFFAOYSA-N 1 2 399.127 2.259 20 0 GEADLO CCn1c(C[N@@H+](CC)CCOCCO)nc(Br)c1Br ZINC000894256033 654459894 /nfs/dbraw/zinc/45/98/94/654459894.db2.gz BJVUKTVFXSJCEF-UHFFFAOYSA-N 1 2 399.127 2.259 20 0 GEADLO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2ncc(Br)cc2O)C1 ZINC000894405722 654473044 /nfs/dbraw/zinc/47/30/44/654473044.db2.gz LPTIMBMVRKAMHD-CYBMUJFWSA-N 1 2 383.290 2.320 20 0 GEADLO O=S(=O)(NCCCCC[NH+]1CCNCC1)c1c(Cl)cc(F)cc1Cl ZINC000923682306 654475932 /nfs/dbraw/zinc/47/59/32/654475932.db2.gz YHTYTXLXJJZHMN-UHFFFAOYSA-N 1 2 398.331 2.486 20 0 GEADLO C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1NC(=O)C(F)(F)F ZINC000856418117 654480486 /nfs/dbraw/zinc/48/04/86/654480486.db2.gz TYXSEXLWRPNWPM-PWSUYJOCSA-N 1 2 377.432 2.339 20 0 GEADLO O=C(OCc1ncc(Cl)cc1Cl)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923774890 654483248 /nfs/dbraw/zinc/48/32/48/654483248.db2.gz DDLDKCVBLBSVDK-DOMZBBRYSA-N 1 2 375.252 2.311 20 0 GEADLO Brc1cnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cn1 ZINC000856723230 654486720 /nfs/dbraw/zinc/48/67/20/654486720.db2.gz ZFKQLFNZDACEBE-UHFFFAOYSA-N 1 2 391.269 2.333 20 0 GEADLO COc1cc(Br)c(C[NH+]2CCC(N3CN=NC3=O)CC2)cc1O ZINC000894609155 654490508 /nfs/dbraw/zinc/49/05/08/654490508.db2.gz UTZDGNZEVMXOGD-UHFFFAOYSA-N 1 2 383.246 2.298 20 0 GEADLO COC(=O)c1cccc(C[NH2+]Cc2cn(C)nc2I)c1 ZINC000894765305 654497648 /nfs/dbraw/zinc/49/76/48/654497648.db2.gz YSYWYJZXBVXCQC-UHFFFAOYSA-N 1 2 385.205 2.101 20 0 GEADLO Cc1cnc(Cl)c(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)c1 ZINC000894780592 654498507 /nfs/dbraw/zinc/49/85/07/654498507.db2.gz HDODQFNIYMPSCA-UHFFFAOYSA-N 1 2 387.864 2.341 20 0 GEADLO Cc1cnc(Cl)c(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)c1 ZINC000894780592 654498509 /nfs/dbraw/zinc/49/85/09/654498509.db2.gz HDODQFNIYMPSCA-UHFFFAOYSA-N 1 2 387.864 2.341 20 0 GEADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1sc(N2CCOCC2)nc1Cl ZINC000894784756 654498911 /nfs/dbraw/zinc/49/89/11/654498911.db2.gz OHUJASHRXWDSDU-LBPRGKRZSA-N 1 2 388.921 2.344 20 0 GEADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1sc(N2CCOCC2)nc1Cl ZINC000894784756 654498914 /nfs/dbraw/zinc/49/89/14/654498914.db2.gz OHUJASHRXWDSDU-LBPRGKRZSA-N 1 2 388.921 2.344 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000924129454 654501531 /nfs/dbraw/zinc/50/15/31/654501531.db2.gz FRNVJJJFJMLRDH-FZMZJTMJSA-N 1 2 397.269 2.139 20 0 GEADLO COc1ncc(Br)c(N2CC[NH+](CCc3ccncc3)CC2)n1 ZINC000894842977 654502109 /nfs/dbraw/zinc/50/21/09/654502109.db2.gz FKEYAXFVYWULNS-UHFFFAOYSA-N 1 2 378.274 2.007 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000894852875 654502398 /nfs/dbraw/zinc/50/23/98/654502398.db2.gz WTHQAKZOTYYMPM-OLZOCXBDSA-N 1 2 384.489 2.292 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000894852875 654502400 /nfs/dbraw/zinc/50/24/00/654502400.db2.gz WTHQAKZOTYYMPM-OLZOCXBDSA-N 1 2 384.489 2.292 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000894904372 654504754 /nfs/dbraw/zinc/50/47/54/654504754.db2.gz HJZXWVDYZZQKPO-OLZOCXBDSA-N 1 2 384.489 2.434 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000894904372 654504757 /nfs/dbraw/zinc/50/47/57/654504757.db2.gz HJZXWVDYZZQKPO-OLZOCXBDSA-N 1 2 384.489 2.434 20 0 GEADLO Cc1ccc(NC(=O)c2cn(C)nc2I)c(N(C)C)[nH+]1 ZINC000907099616 654509920 /nfs/dbraw/zinc/50/99/20/654509920.db2.gz BMMRPSCANBOJOA-UHFFFAOYSA-N 1 2 385.209 2.046 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)C1 ZINC000907130245 654512886 /nfs/dbraw/zinc/51/28/86/654512886.db2.gz GMSFLTJCTXVSRQ-NSHDSACASA-N 1 2 391.269 2.309 20 0 GEADLO CN(C)Cc1csc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000924760155 654523994 /nfs/dbraw/zinc/52/39/94/654523994.db2.gz FETKTBRQUJVQFO-UHFFFAOYSA-N 1 2 379.555 2.294 20 0 GEADLO Cn1cc(S(=O)(=O)NCc2nc(C[NH+](C)C)cs2)c(C2CCCC2)n1 ZINC000907410216 654540145 /nfs/dbraw/zinc/54/01/45/654540145.db2.gz BPMMGBVXRQEBOY-UHFFFAOYSA-N 1 2 383.543 2.074 20 0 GEADLO C[NH+](C)CCn1ccc(C(=O)Nc2nc3cccc(Br)c3[nH]2)n1 ZINC000925630660 654547126 /nfs/dbraw/zinc/54/71/26/654547126.db2.gz RTAFMFNYIYBXFN-UHFFFAOYSA-N 1 2 377.246 2.336 20 0 GEADLO Cc1c(Br)cccc1CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000926342344 654568520 /nfs/dbraw/zinc/56/85/20/654568520.db2.gz KUAVSPOMQJKKIU-MRXNPFEDSA-N 1 2 396.329 2.416 20 0 GEADLO CN(C)[C@H](CCNC(=O)N1CC[NH+](Cc2cccs2)CC1)C(F)(F)F ZINC000926810575 654582411 /nfs/dbraw/zinc/58/24/11/654582411.db2.gz UDAGTFHBDZZFHN-CQSZACIVSA-N 1 2 378.464 2.458 20 0 GEADLO CO[C@@H](C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000907835924 654582488 /nfs/dbraw/zinc/58/24/88/654582488.db2.gz LBVQLPKJKUOXRC-BXUZGUMPSA-N 1 2 391.331 2.377 20 0 GEADLO CS(=O)(=O)C[C@@H](O)C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000927027593 654589812 /nfs/dbraw/zinc/58/98/12/654589812.db2.gz GKQTVOZFYHZQRE-DZGCQCFKSA-N 1 2 388.283 2.127 20 0 GEADLO C/C(=C\C(=O)N[C@H]1COc2cc(F)c(Br)cc21)C[NH+]1CCOCC1 ZINC000908020493 654597456 /nfs/dbraw/zinc/59/74/56/654597456.db2.gz ICKZTLAASPRJQZ-VQCVXAJWSA-N 1 2 399.260 2.416 20 0 GEADLO COC(=O)c1nc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cs1 ZINC000908119598 654605883 /nfs/dbraw/zinc/60/58/83/654605883.db2.gz QZVQNEWDXCBKMX-UHFFFAOYSA-N 1 2 380.495 2.164 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)n2)n1 ZINC000927766492 654613088 /nfs/dbraw/zinc/61/30/88/654613088.db2.gz QUEPLKXELDBSIX-UHFFFAOYSA-N 1 2 376.873 2.369 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)n1 ZINC000927769022 654613210 /nfs/dbraw/zinc/61/32/10/654613210.db2.gz DNXOCUGWHNQKJK-ZDUSSCGKSA-N 1 2 384.571 2.159 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)n1 ZINC000927769427 654613247 /nfs/dbraw/zinc/61/32/47/654613247.db2.gz QDGPDRPSZMNBNT-GFCCVEGCSA-N 1 2 386.543 2.131 20 0 GEADLO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927773600 654613273 /nfs/dbraw/zinc/61/32/73/654613273.db2.gz MGUBOZIOPNZQIY-HNNXBMFYSA-N 1 2 380.539 2.337 20 0 GEADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928356889 654642567 /nfs/dbraw/zinc/64/25/67/654642567.db2.gz GIUDSWYFLAXHGU-DGCLKSJQSA-N 1 2 376.258 2.362 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000928439788 654647507 /nfs/dbraw/zinc/64/75/07/654647507.db2.gz OOXOKDNTWWDRSB-HZMBPMFUSA-N 1 2 389.315 2.065 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000928439788 654647508 /nfs/dbraw/zinc/64/75/08/654647508.db2.gz OOXOKDNTWWDRSB-HZMBPMFUSA-N 1 2 389.315 2.065 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000928635078 654653851 /nfs/dbraw/zinc/65/38/51/654653851.db2.gz IKZSMIJEGREFMT-LBPRGKRZSA-N 1 2 379.448 2.408 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC000929200433 654675592 /nfs/dbraw/zinc/67/55/92/654675592.db2.gz ICWQUKFDKUTZMO-WWGRRREGSA-N 1 2 383.945 2.459 20 0 GEADLO Cc1[nH]nc(Br)c1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000929404624 654682681 /nfs/dbraw/zinc/68/26/81/654682681.db2.gz KXBLLLOIZSBJPW-UHFFFAOYSA-N 1 2 393.285 2.243 20 0 GEADLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000929697666 654690316 /nfs/dbraw/zinc/69/03/16/654690316.db2.gz BAFCJVVQTALMQW-GFCCVEGCSA-N 1 2 375.359 2.471 20 0 GEADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000929697666 654690322 /nfs/dbraw/zinc/69/03/22/654690322.db2.gz BAFCJVVQTALMQW-GFCCVEGCSA-N 1 2 375.359 2.471 20 0 GEADLO CCc1onc(C)c1C[NH+]1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000929810804 654692324 /nfs/dbraw/zinc/69/23/24/654692324.db2.gz YDAOSZPRVNWSQM-UHFFFAOYSA-N 1 2 396.289 2.429 20 0 GEADLO O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](C[C@H]2CCCS2(=O)=O)CC1 ZINC000929926045 654695320 /nfs/dbraw/zinc/69/53/20/654695320.db2.gz YCMNYNITOFKIHT-MRXNPFEDSA-N 1 2 385.917 2.457 20 0 GEADLO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](C[C@H]2CCCS2(=O)=O)CC1 ZINC000929926045 654695322 /nfs/dbraw/zinc/69/53/22/654695322.db2.gz YCMNYNITOFKIHT-MRXNPFEDSA-N 1 2 385.917 2.457 20 0 GEADLO CCCC[N@H+](Cc1ccc(Br)nc1N)[C@@H]1CCS(=O)(=O)C1 ZINC000929970855 654696295 /nfs/dbraw/zinc/69/62/95/654696295.db2.gz LJRBUQIGIYAZCH-GFCCVEGCSA-N 1 2 376.320 2.216 20 0 GEADLO CCCC[N@@H+](Cc1ccc(Br)nc1N)[C@@H]1CCS(=O)(=O)C1 ZINC000929970855 654696299 /nfs/dbraw/zinc/69/62/99/654696299.db2.gz LJRBUQIGIYAZCH-GFCCVEGCSA-N 1 2 376.320 2.216 20 0 GEADLO COCCC[N@H+](Cc1cnc(Br)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000929973155 654696568 /nfs/dbraw/zinc/69/65/68/654696568.db2.gz XBBBHBLVDGCRGV-CQSZACIVSA-N 1 2 391.331 2.178 20 0 GEADLO COCCC[N@@H+](Cc1cnc(Br)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000929973155 654696570 /nfs/dbraw/zinc/69/65/70/654696570.db2.gz XBBBHBLVDGCRGV-CQSZACIVSA-N 1 2 391.331 2.178 20 0 GEADLO O=C(NCc1csc(Br)c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000930226437 654702496 /nfs/dbraw/zinc/70/24/96/654702496.db2.gz UPTPCEKXJHHBRM-OLZOCXBDSA-N 1 2 389.315 2.007 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)C[C@H]2CCC3(COC3)O2)c1 ZINC000930625447 654715642 /nfs/dbraw/zinc/71/56/42/654715642.db2.gz WPGQAFXRFPXLBI-CZUORRHYSA-N 1 2 386.286 2.371 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)C[C@H]2CCC3(COC3)O2)c1 ZINC000930625447 654715644 /nfs/dbraw/zinc/71/56/44/654715644.db2.gz WPGQAFXRFPXLBI-CZUORRHYSA-N 1 2 386.286 2.371 20 0 GEADLO CCNc1cc(CNC(=O)Nc2cn(C)cc(Br)c2=O)cc[nH+]1 ZINC000930816517 654721103 /nfs/dbraw/zinc/72/11/03/654721103.db2.gz PKBCYNAKBPUNLV-UHFFFAOYSA-N 1 2 380.246 2.296 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Nc2cnc(Cl)c(Br)c2)CCO1 ZINC000930828226 654721354 /nfs/dbraw/zinc/72/13/54/654721354.db2.gz ZCBYKSDFJBPTRQ-VIFPVBQESA-N 1 2 377.670 2.340 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cnc(Cl)c(Br)c2)CCO1 ZINC000930828226 654721357 /nfs/dbraw/zinc/72/13/57/654721357.db2.gz ZCBYKSDFJBPTRQ-VIFPVBQESA-N 1 2 377.670 2.340 20 0 GEADLO CCOC(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2c(Br)cnn2C)C1 ZINC000931012426 654726269 /nfs/dbraw/zinc/72/62/69/654726269.db2.gz IAVYPRYHDQRRDC-JTQLQIEISA-N 1 2 382.262 2.072 20 0 GEADLO CCOC(=O)c1c[nH]nc1[C@H]1CC[N@@H+](Cc2c(Br)cnn2C)C1 ZINC000931012426 654726272 /nfs/dbraw/zinc/72/62/72/654726272.db2.gz IAVYPRYHDQRRDC-JTQLQIEISA-N 1 2 382.262 2.072 20 0 GEADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000911593561 654727394 /nfs/dbraw/zinc/72/73/94/654727394.db2.gz ICPBAPOOJBPVJB-BMIGLBTASA-N 1 2 397.298 2.361 20 0 GEADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000911593561 654727397 /nfs/dbraw/zinc/72/73/97/654727397.db2.gz ICPBAPOOJBPVJB-BMIGLBTASA-N 1 2 397.298 2.361 20 0 GEADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931232575 654735315 /nfs/dbraw/zinc/73/53/15/654735315.db2.gz RHRTVHXQJGUDAH-CZUORRHYSA-N 1 2 387.933 2.002 20 0 GEADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931232575 654735317 /nfs/dbraw/zinc/73/53/17/654735317.db2.gz RHRTVHXQJGUDAH-CZUORRHYSA-N 1 2 387.933 2.002 20 0 GEADLO Cc1nn(C)c(NC(=O)NCc2nc(C[NH+](C)C)cs2)c1Br ZINC000931577194 654747450 /nfs/dbraw/zinc/74/74/50/654747450.db2.gz RIIXDZNXJAGYKT-UHFFFAOYSA-N 1 2 387.307 2.331 20 0 GEADLO Cc1cc(C)c(C(=O)NCCNC(=O)c2ccc(Br)cn2)c(C)[nH+]1 ZINC000912294923 654749135 /nfs/dbraw/zinc/74/91/35/654749135.db2.gz CFYVJRHTZDUJTC-UHFFFAOYSA-N 1 2 391.269 2.324 20 0 GEADLO COC1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1O ZINC000931635358 654750088 /nfs/dbraw/zinc/75/00/88/654750088.db2.gz FKGWLRIFGYJRNW-IINYFYTJSA-N 1 2 377.268 2.376 20 0 GEADLO COC1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1O ZINC000931635358 654750090 /nfs/dbraw/zinc/75/00/90/654750090.db2.gz FKGWLRIFGYJRNW-IINYFYTJSA-N 1 2 377.268 2.376 20 0 GEADLO COC1(OC)CC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@@H]1O ZINC000931640376 654750324 /nfs/dbraw/zinc/75/03/24/654750324.db2.gz OPHWNQWXNMJZKU-LFVRLGFBSA-N 1 2 382.309 2.157 20 0 GEADLO COC1(OC)CC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@@H]1O ZINC000931640376 654750325 /nfs/dbraw/zinc/75/03/25/654750325.db2.gz OPHWNQWXNMJZKU-LFVRLGFBSA-N 1 2 382.309 2.157 20 0 GEADLO COc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c(Br)c1 ZINC000931644511 654750821 /nfs/dbraw/zinc/75/08/21/654750821.db2.gz BWTGIFGRGSKFEN-CJNGLKHVSA-N 1 2 399.285 2.276 20 0 GEADLO COC1(OC)CCOC[C@H]1[NH2+]CC(=O)Nc1ccc(C)cc1Br ZINC000931672537 654752471 /nfs/dbraw/zinc/75/24/71/654752471.db2.gz WXXYBNBDSUZWLI-CQSZACIVSA-N 1 2 387.274 2.064 20 0 GEADLO CN(C)[C@@H](C(=O)N1CCOc2ccc(Br)cc21)c1c[nH+]cn1C ZINC000912431663 654753733 /nfs/dbraw/zinc/75/37/33/654753733.db2.gz APSJOUSXSXJGRZ-OAHLLOKOSA-N 1 2 379.258 2.211 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000931798758 654757482 /nfs/dbraw/zinc/75/74/82/654757482.db2.gz FXHHQPAVVBAPQU-JTQLQIEISA-N 1 2 383.802 2.331 20 0 GEADLO C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ncc(Br)cn1 ZINC000931870539 654759830 /nfs/dbraw/zinc/75/98/30/654759830.db2.gz KYMYCBAYKAZIIZ-UHFFFAOYSA-N 1 2 393.241 2.428 20 0 GEADLO C[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ncc(Br)cn1 ZINC000931870539 654759834 /nfs/dbraw/zinc/75/98/34/654759834.db2.gz KYMYCBAYKAZIIZ-UHFFFAOYSA-N 1 2 393.241 2.428 20 0 GEADLO CC(C)(CNC(=O)c1ccccc1S(=O)(=O)C(F)(F)F)n1cc[nH+]c1 ZINC000912614385 654761060 /nfs/dbraw/zinc/76/10/60/654761060.db2.gz NDRWUDDLSKHRRM-UHFFFAOYSA-N 1 2 375.372 2.342 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000932086328 654766285 /nfs/dbraw/zinc/76/62/85/654766285.db2.gz BKSANVBRONYHDH-SECBINFHSA-N 1 2 383.802 2.325 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1c(Cl)cccc1Br ZINC000912896951 654773935 /nfs/dbraw/zinc/77/39/35/654773935.db2.gz HPPUVDOGJBUHPF-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1c(Cl)cccc1Br ZINC000912896951 654773936 /nfs/dbraw/zinc/77/39/36/654773936.db2.gz HPPUVDOGJBUHPF-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3c(Br)cnn3C)C2)s1 ZINC000932670072 654784921 /nfs/dbraw/zinc/78/49/21/654784921.db2.gz CBSMGVWXRAVZMR-SECBINFHSA-N 1 2 385.287 2.415 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3c(Br)cnn3C)C2)s1 ZINC000932670072 654784923 /nfs/dbraw/zinc/78/49/23/654784923.db2.gz CBSMGVWXRAVZMR-SECBINFHSA-N 1 2 385.287 2.415 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@H+](CCS(=O)(=O)C3CCCCC3)C2)s1 ZINC000932671681 654785193 /nfs/dbraw/zinc/78/51/93/654785193.db2.gz UTMPEAXYFMQIOT-ZDUSSCGKSA-N 1 2 386.539 2.467 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@@H+](CCS(=O)(=O)C3CCCCC3)C2)s1 ZINC000932671681 654785194 /nfs/dbraw/zinc/78/51/94/654785194.db2.gz UTMPEAXYFMQIOT-ZDUSSCGKSA-N 1 2 386.539 2.467 20 0 GEADLO Cc1ncc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1Br ZINC000932768255 654789094 /nfs/dbraw/zinc/78/90/94/654789094.db2.gz GXLDXPMETGFTSP-CYBMUJFWSA-N 1 2 383.290 2.399 20 0 GEADLO CCS(=O)(=O)CC[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932809842 654791257 /nfs/dbraw/zinc/79/12/57/654791257.db2.gz OXCBCMDHTIYBKI-HNNXBMFYSA-N 1 2 376.316 2.167 20 0 GEADLO CCS(=O)(=O)CC[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932809842 654791260 /nfs/dbraw/zinc/79/12/60/654791260.db2.gz OXCBCMDHTIYBKI-HNNXBMFYSA-N 1 2 376.316 2.167 20 0 GEADLO O=C(CCOc1cccc(Br)c1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913441409 654791979 /nfs/dbraw/zinc/79/19/79/654791979.db2.gz KIGSGGHCZXINTE-OAHLLOKOSA-N 1 2 379.258 2.114 20 0 GEADLO O=C(CCc1cc(Br)ccc1F)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913449370 654792530 /nfs/dbraw/zinc/79/25/30/654792530.db2.gz HXFWWABQIDKFCI-OAHLLOKOSA-N 1 2 381.249 2.417 20 0 GEADLO O=C(c1ccc(C(F)(F)Br)nc1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913454897 654792787 /nfs/dbraw/zinc/79/27/87/654792787.db2.gz BYIDDARQWKSPRQ-NSHDSACASA-N 1 2 386.200 2.036 20 0 GEADLO COc1ccc(CCC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c(Br)c1 ZINC000913455805 654793084 /nfs/dbraw/zinc/79/30/84/654793084.db2.gz JERMBZZEFJHYCS-MRXNPFEDSA-N 1 2 393.285 2.287 20 0 GEADLO Cc1cccc(CC(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)c1Br ZINC000913456839 654793105 /nfs/dbraw/zinc/79/31/05/654793105.db2.gz UBNLPFDGTMDQIT-HNNXBMFYSA-N 1 2 377.286 2.207 20 0 GEADLO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913458351 654793350 /nfs/dbraw/zinc/79/33/50/654793350.db2.gz MGBNRRAKJSOTER-CVEARBPZSA-N 1 2 375.270 2.375 20 0 GEADLO Cc1cc(Br)ccc1CC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913463256 654793983 /nfs/dbraw/zinc/79/39/83/654793983.db2.gz CDPNFXQGFICYFY-MRXNPFEDSA-N 1 2 377.286 2.207 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)CCc3cc(F)ccc3Br)CC[NH2+]2)cn1 ZINC000913464064 654794033 /nfs/dbraw/zinc/79/40/33/654794033.db2.gz LVZOMVXKYKRWCD-MRXNPFEDSA-N 1 2 395.276 2.427 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913465663 654794322 /nfs/dbraw/zinc/79/43/22/654794322.db2.gz ACSCWGKWSPZRTM-MLGOLLRUSA-N 1 2 393.285 2.123 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)Cc3ccc(F)c(Br)c3)CC[NH2+]2)cn1 ZINC000913468279 654794332 /nfs/dbraw/zinc/79/43/32/654794332.db2.gz NJCYBBHOQBREQA-OAHLLOKOSA-N 1 2 381.249 2.037 20 0 GEADLO O=C(C[C@@H](O)C(Cl)(Cl)Cl)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000913480619 654795066 /nfs/dbraw/zinc/79/50/66/654795066.db2.gz MGHACBIHJXQEFE-CYBMUJFWSA-N 1 2 381.687 2.158 20 0 GEADLO CCOc1ccc([C@@]2(C(=O)N3CC[N@H+](C)[C@@H](CO)C3)CC2(Cl)Cl)cc1 ZINC000913555973 654797721 /nfs/dbraw/zinc/79/77/21/654797721.db2.gz OUIMTPHYNGWDCA-RHSMWYFYSA-N 1 2 387.307 2.036 20 0 GEADLO CCOc1ccc([C@@]2(C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)CC2(Cl)Cl)cc1 ZINC000913555973 654797725 /nfs/dbraw/zinc/79/77/25/654797725.db2.gz OUIMTPHYNGWDCA-RHSMWYFYSA-N 1 2 387.307 2.036 20 0 GEADLO CC[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000933224978 654805464 /nfs/dbraw/zinc/80/54/64/654805464.db2.gz ZCMQZVKUEIEXBK-OAHLLOKOSA-N 1 2 382.302 2.008 20 0 GEADLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000933224978 654805467 /nfs/dbraw/zinc/80/54/67/654805467.db2.gz ZCMQZVKUEIEXBK-OAHLLOKOSA-N 1 2 382.302 2.008 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)NC1(c2ncc(Br)cn2)CCC1 ZINC000913836600 654811442 /nfs/dbraw/zinc/81/14/42/654811442.db2.gz ZAUHOTIYSVFNAH-UHFFFAOYSA-N 1 2 379.262 2.204 20 0 GEADLO O=C(NCc1cnc(Cl)s1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000913873515 654812962 /nfs/dbraw/zinc/81/29/62/654812962.db2.gz NDPIWIAILCJUSV-AWEZNQCLSA-N 1 2 380.901 2.497 20 0 GEADLO O=C(NCc1cnc(Cl)s1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000913873515 654812965 /nfs/dbraw/zinc/81/29/65/654812965.db2.gz NDPIWIAILCJUSV-AWEZNQCLSA-N 1 2 380.901 2.497 20 0 GEADLO COCCc1nc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)no1 ZINC000933442516 654813633 /nfs/dbraw/zinc/81/36/33/654813633.db2.gz SHZIVZPQJDZXSH-MRXNPFEDSA-N 1 2 384.274 2.104 20 0 GEADLO CC(C)(CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)CS(C)(=O)=O ZINC000913891548 654814120 /nfs/dbraw/zinc/81/41/20/654814120.db2.gz SDAYILGYHKQLMI-CQSZACIVSA-N 1 2 387.571 2.255 20 0 GEADLO CN(CC[NH+]1CCCC1)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914061048 654824234 /nfs/dbraw/zinc/82/42/34/654824234.db2.gz HVYQFHCJFXEZSF-XMMPIXPASA-N 1 2 399.460 2.306 20 0 GEADLO COCCOC[C@H](O)C[N@@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC000933941930 654831626 /nfs/dbraw/zinc/83/16/26/654831626.db2.gz MAOURIJZSFZVHH-CYBMUJFWSA-N 1 2 378.694 2.485 20 0 GEADLO COCCOC[C@H](O)C[N@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC000933941930 654831629 /nfs/dbraw/zinc/83/16/29/654831629.db2.gz MAOURIJZSFZVHH-CYBMUJFWSA-N 1 2 378.694 2.485 20 0 GEADLO O[C@H](C[N@@H+]1CCc2cc(Cl)cc(Br)c2C1)C[C@@]1(O)CCOC1 ZINC000933943388 654831788 /nfs/dbraw/zinc/83/17/88/654831788.db2.gz ZDNPIDCPPGGLNW-BBRMVZONSA-N 1 2 390.705 2.363 20 0 GEADLO O[C@H](C[N@H+]1CCc2cc(Cl)cc(Br)c2C1)C[C@@]1(O)CCOC1 ZINC000933943388 654831789 /nfs/dbraw/zinc/83/17/89/654831789.db2.gz ZDNPIDCPPGGLNW-BBRMVZONSA-N 1 2 390.705 2.363 20 0 GEADLO O=C(N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000914172626 654831799 /nfs/dbraw/zinc/83/17/99/654831799.db2.gz NSBNWRPOWLHNSG-XLWVJDPXSA-N 1 2 390.281 2.374 20 0 GEADLO COCCOc1ccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1Br ZINC000933988641 654833420 /nfs/dbraw/zinc/83/34/20/654833420.db2.gz FHUBWZJKACEMIN-GFCCVEGCSA-N 1 2 395.257 2.417 20 0 GEADLO C[C@H]1C[C@@H](NS(=O)(=O)c2c(O)cccc2OC(F)(F)F)C[N@@H+]1C1CC1 ZINC000914237284 654837768 /nfs/dbraw/zinc/83/77/68/654837768.db2.gz RWINTJJCHISDOR-VHSXEESVSA-N 1 2 380.388 2.194 20 0 GEADLO C[C@H]1C[C@@H](NS(=O)(=O)c2c(O)cccc2OC(F)(F)F)C[N@H+]1C1CC1 ZINC000914237284 654837770 /nfs/dbraw/zinc/83/77/70/654837770.db2.gz RWINTJJCHISDOR-VHSXEESVSA-N 1 2 380.388 2.194 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1c(Br)cnn1C1CC1 ZINC000934371975 654847430 /nfs/dbraw/zinc/84/74/30/654847430.db2.gz QFZNNWIRTOMDEO-AAEUAGOBSA-N 1 2 398.305 2.307 20 0 GEADLO C[C@@H](NC(=O)Nc1c(Br)cnn1C1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000934377691 654848385 /nfs/dbraw/zinc/84/83/85/654848385.db2.gz VZQJOTQZXSVHED-GHMZBOCLSA-N 1 2 386.294 2.211 20 0 GEADLO C[C@](CO)([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1cccc(Br)c1 ZINC000934496748 654851204 /nfs/dbraw/zinc/85/12/04/654851204.db2.gz ZMXANBTVXXBKOA-OAHLLOKOSA-N 1 2 388.283 2.443 20 0 GEADLO C[C@@](CO)([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1cccc(Br)c1 ZINC000934496747 654851231 /nfs/dbraw/zinc/85/12/31/654851231.db2.gz ZMXANBTVXXBKOA-HNNXBMFYSA-N 1 2 388.283 2.443 20 0 GEADLO C[C@@H]1CCN(C(=O)c2cc(=O)n(C)cc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000934654331 654854762 /nfs/dbraw/zinc/85/47/62/654854762.db2.gz QJRNYWLYJUXHHU-RISCZKNCSA-N 1 2 379.258 2.068 20 0 GEADLO COc1cc(Br)cc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC000935167509 654879751 /nfs/dbraw/zinc/87/97/51/654879751.db2.gz MPLADCKZJWWLDM-ZBFHGGJFSA-N 1 2 399.285 2.276 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000935488230 654896642 /nfs/dbraw/zinc/89/66/42/654896642.db2.gz LZMWFOAXCPHNGV-YPMHNXCESA-N 1 2 389.253 2.203 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1nc(Br)c2ccccn21 ZINC000935712281 654912024 /nfs/dbraw/zinc/91/20/24/654912024.db2.gz AGMOYMDJNPVHCK-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1nc(Br)c2ccccn21 ZINC000935712281 654912026 /nfs/dbraw/zinc/91/20/26/654912026.db2.gz AGMOYMDJNPVHCK-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO O=C(C/C=C/c1ccc(Br)cc1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000935843170 654921146 /nfs/dbraw/zinc/92/11/46/654921146.db2.gz OFXFELXFIRKMRV-XKKXFUJGSA-N 1 2 378.314 2.359 20 0 GEADLO O=C(C/C=C/c1ccc(Br)cc1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000935843170 654921151 /nfs/dbraw/zinc/92/11/51/654921151.db2.gz OFXFELXFIRKMRV-XKKXFUJGSA-N 1 2 378.314 2.359 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2cc(C=O)sc2Cl)cn1 ZINC000935871981 654923059 /nfs/dbraw/zinc/92/30/59/654923059.db2.gz OLIWJJFLNBISRR-UHFFFAOYSA-N 1 2 377.857 2.487 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000935923256 654927394 /nfs/dbraw/zinc/92/73/94/654927394.db2.gz BILLYHOZHDQCSY-BXUZGUMPSA-N 1 2 389.253 2.203 20 0 GEADLO C[C@](O)(C(=O)N[C@H]1CCc2c[nH+]cn2C1)c1ccc(F)c(Br)c1 ZINC000935923320 654927720 /nfs/dbraw/zinc/92/77/20/654927720.db2.gz CKRZREXODHPSGH-MEDUHNTESA-N 1 2 382.233 2.123 20 0 GEADLO COc1cc(Br)cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000935935368 654928517 /nfs/dbraw/zinc/92/85/17/654928517.db2.gz VQRASMSWZXQUJB-WFASDCNBSA-N 1 2 383.286 2.393 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(OC)cc2n1 ZINC001164701908 719859115 /nfs/dbraw/zinc/85/91/15/719859115.db2.gz LZOZBCNDPWRNPS-JTSKRJEESA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2[nH]ccc2cc1Cl ZINC001164701106 719859702 /nfs/dbraw/zinc/85/97/02/719859702.db2.gz JILRRCCXOQTWMO-KUHUBIRLSA-N 1 2 392.887 2.401 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(-c2ccccc2)cn1 ZINC001164707868 719867949 /nfs/dbraw/zinc/86/79/49/719867949.db2.gz WPIDYEHEGIJHKK-GCJKJVERSA-N 1 2 396.491 2.376 20 0 GEADLO CCCCc1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ncn1 ZINC001164703792 719875093 /nfs/dbraw/zinc/87/50/93/719875093.db2.gz KNYANYMZGFDPEL-FXAWDEMLSA-N 1 2 376.501 2.052 20 0 GEADLO Nc1cc(Cl)ncc1C(F)(F)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830945 720398378 /nfs/dbraw/zinc/39/83/78/720398378.db2.gz SPTLWMLNPUITSE-UHFFFAOYSA-N 1 2 394.817 2.109 20 0 GEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3occc31)C2 ZINC001164829083 720428890 /nfs/dbraw/zinc/42/88/90/720428890.db2.gz ZNKYERDNBJYGOW-INIZCTEOSA-N 1 2 397.479 2.014 20 0 GEADLO c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cnc2c1 ZINC001164911337 721771317 /nfs/dbraw/zinc/77/13/17/721771317.db2.gz GFNIUTFNLLRUEH-QFIPXVFZSA-N 1 2 391.475 2.133 20 0 GEADLO c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cnc2c1 ZINC001164911337 721771321 /nfs/dbraw/zinc/77/13/21/721771321.db2.gz GFNIUTFNLLRUEH-QFIPXVFZSA-N 1 2 391.475 2.133 20 0 GEADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc5ncccc5n4)CCO3)C2)c1 ZINC001164911595 721779495 /nfs/dbraw/zinc/77/94/95/721779495.db2.gz HNUBXNBMYFVPFX-JOCHJYFZSA-N 1 2 391.475 2.133 20 0 GEADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc5ncccc5n4)CCO3)C2)c1 ZINC001164911595 721779499 /nfs/dbraw/zinc/77/94/99/721779499.db2.gz HNUBXNBMYFVPFX-JOCHJYFZSA-N 1 2 391.475 2.133 20 0 GEADLO CCc1cc(CC)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914266 721800461 /nfs/dbraw/zinc/80/04/61/721800461.db2.gz LBIAHFHWFRUDQQ-QFIPXVFZSA-N 1 2 397.523 2.104 20 0 GEADLO CCc1cc(CC)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914266 721800462 /nfs/dbraw/zinc/80/04/62/721800462.db2.gz LBIAHFHWFRUDQQ-QFIPXVFZSA-N 1 2 397.523 2.104 20 0 GEADLO COC(=O)c1cc2c[nH]c(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)cc-2n1 ZINC001164918302 721818078 /nfs/dbraw/zinc/81/80/78/721818078.db2.gz MXJMRPGUGJCUPA-UHFFFAOYSA-N 1 2 394.479 2.296 20 0 GEADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165036489 721917224 /nfs/dbraw/zinc/91/72/24/721917224.db2.gz DDDWGEVYQBNDLK-LBPRGKRZSA-N 1 2 389.830 2.368 20 0 GEADLO CSc1nccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164943865 721969242 /nfs/dbraw/zinc/96/92/42/721969242.db2.gz GQHJECJWGKRSKS-UHFFFAOYSA-N 1 2 383.521 2.170 20 0 GEADLO CSc1nccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164943865 721969244 /nfs/dbraw/zinc/96/92/44/721969244.db2.gz GQHJECJWGKRSKS-UHFFFAOYSA-N 1 2 383.521 2.170 20 0 GEADLO COc1cc(OC)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164944393 721973752 /nfs/dbraw/zinc/97/37/52/721973752.db2.gz IGTNGQVMYWQHCL-UHFFFAOYSA-N 1 2 396.491 2.070 20 0 GEADLO COc1cc(OC)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164944393 721973755 /nfs/dbraw/zinc/97/37/55/721973755.db2.gz IGTNGQVMYWQHCL-UHFFFAOYSA-N 1 2 396.491 2.070 20 0 GEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc3ncsc3n1)CC2 ZINC001164948262 721975740 /nfs/dbraw/zinc/97/57/40/721975740.db2.gz VYSVZDJUEOKYNF-UHFFFAOYSA-N 1 2 394.504 2.057 20 0 GEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc3ncsc3n1)CC2 ZINC001164948262 721975744 /nfs/dbraw/zinc/97/57/44/721975744.db2.gz VYSVZDJUEOKYNF-UHFFFAOYSA-N 1 2 394.504 2.057 20 0 GEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc3c(n1)CCCC3)CC2 ZINC001164948934 721980331 /nfs/dbraw/zinc/98/03/31/721980331.db2.gz NLKXYPWZVOAQQP-UHFFFAOYSA-N 1 2 391.519 2.326 20 0 GEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc3c(n1)CCCC3)CC2 ZINC001164948934 721980334 /nfs/dbraw/zinc/98/03/34/721980334.db2.gz NLKXYPWZVOAQQP-UHFFFAOYSA-N 1 2 391.519 2.326 20 0 GEADLO C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)c2c(F)cc(F)cc2F)C[C@H](C)O1 ZINC000151790175 531521603 /nfs/dbraw/zinc/52/16/03/531521603.db2.gz NQCBXKGVBWAULR-TXEJJXNPSA-N 1 2 380.432 2.272 20 0 GEADLO C[C@@H]1C[N@H+](CCCCNS(=O)(=O)c2c(F)cc(F)cc2F)C[C@H](C)O1 ZINC000151790175 531521609 /nfs/dbraw/zinc/52/16/09/531521609.db2.gz NQCBXKGVBWAULR-TXEJJXNPSA-N 1 2 380.432 2.272 20 0 GEADLO Cc1nc(NC(=O)CN2CC[NH2+]CC2=O)sc1Cc1ccccc1Cl ZINC000152248269 531539526 /nfs/dbraw/zinc/53/95/26/531539526.db2.gz MDMQUWDQCIKONG-UHFFFAOYSA-N 1 2 378.885 2.066 20 0 GEADLO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc(Br)ccc2O)CC1 ZINC000152572402 531558735 /nfs/dbraw/zinc/55/87/35/531558735.db2.gz JXKLMXISTUAIIM-ZDUSSCGKSA-N 1 2 384.318 2.158 20 0 GEADLO CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC000152747750 531569273 /nfs/dbraw/zinc/56/92/73/531569273.db2.gz IGUBNUJYSOKAOQ-RHSMWYFYSA-N 1 2 398.345 2.015 20 0 GEADLO NC(=O)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000017286320 531572784 /nfs/dbraw/zinc/57/27/84/531572784.db2.gz CUZUXBPNDIFMMH-LLVKDONJSA-N 1 2 375.416 2.477 20 0 GEADLO NC(=O)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000017286320 531572791 /nfs/dbraw/zinc/57/27/91/531572791.db2.gz CUZUXBPNDIFMMH-LLVKDONJSA-N 1 2 375.416 2.477 20 0 GEADLO O=C(C[C@H]1CSCCS1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000153034795 531583274 /nfs/dbraw/zinc/58/32/74/531583274.db2.gz RINCSOSDMPAWCD-INIZCTEOSA-N 1 2 376.551 2.217 20 0 GEADLO O=C(NC[C@@H](O)c1ccsc1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000153366426 531596240 /nfs/dbraw/zinc/59/62/40/531596240.db2.gz IYHLCNDKHNYQRT-LSDHHAIUSA-N 1 2 381.523 2.216 20 0 GEADLO COc1ccc(CN2CC[NH+](CC(=O)NC(C)C)CC2)cc1Br ZINC000023287171 531596761 /nfs/dbraw/zinc/59/67/61/531596761.db2.gz YCVFDPQJYNMWPJ-UHFFFAOYSA-N 1 2 384.318 2.100 20 0 GEADLO O=C(CNC(=O)c1cccc(Cl)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736735 531600160 /nfs/dbraw/zinc/60/01/60/531600160.db2.gz RZZJUGOSBBTODK-UHFFFAOYSA-N 1 2 377.897 2.476 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cc(Br)ccc1O ZINC000025290299 531613184 /nfs/dbraw/zinc/61/31/84/531613184.db2.gz JBWSBRNEJKBGLQ-UHFFFAOYSA-N 1 2 392.253 2.316 20 0 GEADLO CCOc1cc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc(Cl)c1OC ZINC000154045314 531619672 /nfs/dbraw/zinc/61/96/72/531619672.db2.gz JYYAJRKEVSFHEE-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO CCOc1cc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc(Cl)c1OC ZINC000154045314 531619678 /nfs/dbraw/zinc/61/96/78/531619678.db2.gz JYYAJRKEVSFHEE-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000026840849 531620116 /nfs/dbraw/zinc/62/01/16/531620116.db2.gz WZXBBQSQEWEKBW-RWMBFGLXSA-N 1 2 380.432 2.481 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000026840849 531620123 /nfs/dbraw/zinc/62/01/23/531620123.db2.gz WZXBBQSQEWEKBW-RWMBFGLXSA-N 1 2 380.432 2.481 20 0 GEADLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)Cc1cnn(C)c1 ZINC000027215106 531623474 /nfs/dbraw/zinc/62/34/74/531623474.db2.gz GVLHECUWHVDYKW-LLVKDONJSA-N 1 2 398.248 2.484 20 0 GEADLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000027215106 531623483 /nfs/dbraw/zinc/62/34/83/531623483.db2.gz GVLHECUWHVDYKW-LLVKDONJSA-N 1 2 398.248 2.484 20 0 GEADLO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000154390242 531622888 /nfs/dbraw/zinc/62/28/88/531622888.db2.gz BSMMVBBMLCELCC-UHFFFAOYSA-N 1 2 396.329 2.454 20 0 GEADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000027353330 531623605 /nfs/dbraw/zinc/62/36/05/531623605.db2.gz BUEFDPQESJSZQQ-NSHDSACASA-N 1 2 395.305 2.354 20 0 GEADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000027353330 531623611 /nfs/dbraw/zinc/62/36/11/531623611.db2.gz BUEFDPQESJSZQQ-NSHDSACASA-N 1 2 395.305 2.354 20 0 GEADLO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(Br)n3)c[nH+]2)CCO1 ZINC000154947467 531643309 /nfs/dbraw/zinc/64/33/09/531643309.db2.gz HYJLHAXTCKHWSR-GFCCVEGCSA-N 1 2 391.269 2.394 20 0 GEADLO CC[C@@H](C)[C@@H](NC(=O)C[N@H+](C)Cc1ccc(Br)o1)C(=O)OC ZINC000030973638 531643354 /nfs/dbraw/zinc/64/33/54/531643354.db2.gz MSSQFMYKIDIYME-QMTHXVAHSA-N 1 2 375.263 2.178 20 0 GEADLO CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Br)o1)C(=O)OC ZINC000030973638 531643357 /nfs/dbraw/zinc/64/33/57/531643357.db2.gz MSSQFMYKIDIYME-QMTHXVAHSA-N 1 2 375.263 2.178 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000154970784 531645515 /nfs/dbraw/zinc/64/55/15/531645515.db2.gz ASZYJTVKHRNZLP-UHFFFAOYSA-N 1 2 378.885 2.343 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(Br)cc1 ZINC000031941868 531647423 /nfs/dbraw/zinc/64/74/23/531647423.db2.gz BCFZLNRMAVGKDG-INIZCTEOSA-N 1 2 385.327 2.387 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cc1Cl ZINC000030331831 531635787 /nfs/dbraw/zinc/63/57/87/531635787.db2.gz BSTAHSUJCQFXOX-AWEZNQCLSA-N 1 2 390.933 2.374 20 0 GEADLO O=C(C[NH+]1CCC(NC(=O)CSC(F)(F)F)CC1)Nc1ccccc1 ZINC000030563837 531638568 /nfs/dbraw/zinc/63/85/68/531638568.db2.gz GLOIEQXSGIGORC-UHFFFAOYSA-N 1 2 375.416 2.459 20 0 GEADLO Cc1ccc(Cl)c(OCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000031943199 531647855 /nfs/dbraw/zinc/64/78/55/531647855.db2.gz ZEHTVKNWZMMYPL-SFHVURJKSA-N 1 2 384.929 2.351 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cccc(Br)c1 ZINC000031941604 531648380 /nfs/dbraw/zinc/64/83/80/531648380.db2.gz GLYBDRYFXQFDTO-INIZCTEOSA-N 1 2 385.327 2.387 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000155045591 531651145 /nfs/dbraw/zinc/65/11/45/531651145.db2.gz WLHGFTKLKUNASV-UHFFFAOYSA-N 1 2 393.285 2.348 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(I)ccc1O ZINC000155032303 531651296 /nfs/dbraw/zinc/65/12/96/531651296.db2.gz YLPJPLMSIGSAFD-UHFFFAOYSA-N 1 2 385.205 2.356 20 0 GEADLO Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1Cl ZINC000032418556 531652581 /nfs/dbraw/zinc/65/25/81/531652581.db2.gz XLXUJQBKMXYCMP-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO C[N@H+](CCS(C)(=O)=O)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000155140555 531659480 /nfs/dbraw/zinc/65/94/80/531659480.db2.gz JKCFKTHVGUOAJK-UHFFFAOYSA-N 1 2 378.288 2.087 20 0 GEADLO C[N@@H+](CCS(C)(=O)=O)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000155140555 531659493 /nfs/dbraw/zinc/65/94/93/531659493.db2.gz JKCFKTHVGUOAJK-UHFFFAOYSA-N 1 2 378.288 2.087 20 0 GEADLO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2Br)c[nH+]1 ZINC000041637826 531668155 /nfs/dbraw/zinc/66/81/55/531668155.db2.gz QNIKCQFUCPWGJD-UHFFFAOYSA-N 1 2 395.232 2.304 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cccc(C)c2I)CC1 ZINC000042857395 531674239 /nfs/dbraw/zinc/67/42/39/531674239.db2.gz ZWNPRKUTRJGQHV-UHFFFAOYSA-N 1 2 388.249 2.004 20 0 GEADLO CCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000043231758 531679756 /nfs/dbraw/zinc/67/97/56/531679756.db2.gz DYVQXQORLCXOPE-LSDHHAIUSA-N 1 2 385.555 2.104 20 0 GEADLO CCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000043231749 531680661 /nfs/dbraw/zinc/68/06/61/531680661.db2.gz DYVQXQORLCXOPE-CABCVRRESA-N 1 2 385.555 2.104 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000044535009 531681997 /nfs/dbraw/zinc/68/19/97/531681997.db2.gz COTJXJKXGZPXDP-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO NC(=O)N[C@H](CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1cccs1 ZINC000042801719 531671652 /nfs/dbraw/zinc/67/16/52/531671652.db2.gz OVXNQEGRQJEQEC-GFCCVEGCSA-N 1 2 377.857 2.465 20 0 GEADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000045355844 531690711 /nfs/dbraw/zinc/69/07/11/531690711.db2.gz CFYUCPGZCVKBQV-LBPRGKRZSA-N 1 2 387.311 2.026 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000045356428 531691920 /nfs/dbraw/zinc/69/19/20/531691920.db2.gz XFONZKBGRQPOQK-GFCCVEGCSA-N 1 2 387.311 2.026 20 0 GEADLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000156251516 531724688 /nfs/dbraw/zinc/72/46/88/531724688.db2.gz SOGWDGLQCSRFRE-UHFFFAOYSA-N 1 2 390.292 2.001 20 0 GEADLO C[C@@H]1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156258608 531725835 /nfs/dbraw/zinc/72/58/35/531725835.db2.gz KFGLAXRIWKRTSH-RISCZKNCSA-N 1 2 394.273 2.459 20 0 GEADLO Brc1ccc(C[NH+]2CCN(c3ncnc4nc[nH]c43)CC2)s1 ZINC000047509530 531716225 /nfs/dbraw/zinc/71/62/25/531716225.db2.gz ZUPDFBMYXAOBCF-UHFFFAOYSA-N 1 2 379.287 2.499 20 0 GEADLO COC(=O)C1CCN(C(=O)C[N@H+](C)Cc2cc(Br)cs2)CC1 ZINC000047751666 531719823 /nfs/dbraw/zinc/71/98/23/531719823.db2.gz JRORWQYEJHCULV-UHFFFAOYSA-N 1 2 389.315 2.354 20 0 GEADLO COC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cc(Br)cs2)CC1 ZINC000047751666 531719830 /nfs/dbraw/zinc/71/98/30/531719830.db2.gz JRORWQYEJHCULV-UHFFFAOYSA-N 1 2 389.315 2.354 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)C(=O)N(C)C ZINC000051122314 531739895 /nfs/dbraw/zinc/73/98/95/531739895.db2.gz VJGOICKHMWRFNS-YVEFUNNKSA-N 1 2 377.535 2.350 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)C(=O)N(C)C ZINC000051122314 531739903 /nfs/dbraw/zinc/73/99/03/531739903.db2.gz VJGOICKHMWRFNS-YVEFUNNKSA-N 1 2 377.535 2.350 20 0 GEADLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCO1 ZINC000051737277 531744141 /nfs/dbraw/zinc/74/41/41/531744141.db2.gz APNHIBJBJBJKPO-CQSZACIVSA-N 1 2 387.311 2.148 20 0 GEADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCO1 ZINC000051737277 531744149 /nfs/dbraw/zinc/74/41/49/531744149.db2.gz APNHIBJBJBJKPO-CQSZACIVSA-N 1 2 387.311 2.148 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000053217699 531758808 /nfs/dbraw/zinc/75/88/08/531758808.db2.gz HAEFLGMTJXWKGY-ZDUSSCGKSA-N 1 2 391.896 2.211 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000053217699 531758823 /nfs/dbraw/zinc/75/88/23/531758823.db2.gz HAEFLGMTJXWKGY-ZDUSSCGKSA-N 1 2 391.896 2.211 20 0 GEADLO NC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000157988824 531760547 /nfs/dbraw/zinc/76/05/47/531760547.db2.gz GXAOVSVVVAFCAP-UHFFFAOYSA-N 1 2 375.270 2.265 20 0 GEADLO COc1ccccc1[C@@H](CNC(=O)c1csc(S(C)(=O)=O)c1)[NH+](C)C ZINC000158118743 531766326 /nfs/dbraw/zinc/76/63/26/531766326.db2.gz VIZVOJDKNDLYOT-CQSZACIVSA-N 1 2 382.507 2.193 20 0 GEADLO CC(=O)N1CCC(NC(=O)C[N@@H+](C)Cc2cc(Br)cs2)CC1 ZINC000052847839 531750179 /nfs/dbraw/zinc/75/01/79/531750179.db2.gz FGZHWCDDPYMWKP-UHFFFAOYSA-N 1 2 388.331 2.070 20 0 GEADLO CC(=O)N1CCC(NC(=O)C[N@H+](C)Cc2cc(Br)cs2)CC1 ZINC000052847839 531750183 /nfs/dbraw/zinc/75/01/83/531750183.db2.gz FGZHWCDDPYMWKP-UHFFFAOYSA-N 1 2 388.331 2.070 20 0 GEADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)Cc1cc(Br)cs1 ZINC000052848010 531750959 /nfs/dbraw/zinc/75/09/59/531750959.db2.gz NRMBXYHGYRSKMR-SNVBAGLBSA-N 1 2 388.331 2.068 20 0 GEADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052848010 531750964 /nfs/dbraw/zinc/75/09/64/531750964.db2.gz NRMBXYHGYRSKMR-SNVBAGLBSA-N 1 2 388.331 2.068 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000055041632 531781141 /nfs/dbraw/zinc/78/11/41/531781141.db2.gz VFRFWSDDTPZIDP-CQSZACIVSA-N 1 2 391.269 2.194 20 0 GEADLO COC(=O)c1ccoc1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000055256956 531785197 /nfs/dbraw/zinc/78/51/97/531785197.db2.gz BSCPOCMNGNEAHW-UHFFFAOYSA-N 1 2 384.479 2.071 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000055290479 531787785 /nfs/dbraw/zinc/78/77/85/531787785.db2.gz MFDUNIMLGOANPV-BETUJISGSA-N 1 2 391.331 2.227 20 0 GEADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000055290479 531787795 /nfs/dbraw/zinc/78/77/95/531787795.db2.gz MFDUNIMLGOANPV-BETUJISGSA-N 1 2 391.331 2.227 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000055973610 531799597 /nfs/dbraw/zinc/79/95/97/531799597.db2.gz YBVHVGLSTHNJMK-UHFFFAOYSA-N 1 2 382.917 2.197 20 0 GEADLO C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccccc3Cl)c[nH+]2)CCO1 ZINC000056064817 531804143 /nfs/dbraw/zinc/80/41/43/531804143.db2.gz LIWHZZJPPKBRLA-CYBMUJFWSA-N 1 2 381.885 2.439 20 0 GEADLO COCC[N@H+](Cc1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161640604 531834147 /nfs/dbraw/zinc/83/41/47/531834147.db2.gz WEABCDFUCKPOHQ-ZDUSSCGKSA-N 1 2 392.315 2.093 20 0 GEADLO COCC[N@@H+](Cc1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161640604 531834153 /nfs/dbraw/zinc/83/41/53/531834153.db2.gz WEABCDFUCKPOHQ-ZDUSSCGKSA-N 1 2 392.315 2.093 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)c1cc(F)ccc1F)[NH+]1CCOCC1 ZINC000058723922 531835661 /nfs/dbraw/zinc/83/56/61/531835661.db2.gz ZUPQSYJQBNCNLR-INIZCTEOSA-N 1 2 376.469 2.380 20 0 GEADLO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000162291818 531838797 /nfs/dbraw/zinc/83/87/97/531838797.db2.gz XHDWDSNCRWTLPT-NEPJUHHUSA-N 1 2 380.495 2.400 20 0 GEADLO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000162292221 531839617 /nfs/dbraw/zinc/83/96/17/531839617.db2.gz XHDWDSNCRWTLPT-NWDGAFQWSA-N 1 2 380.495 2.400 20 0 GEADLO C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]1CO ZINC000162905215 531853429 /nfs/dbraw/zinc/85/34/29/531853429.db2.gz CLYTZEBNUMCTAN-IUODEOHRSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]1CO ZINC000162905215 531853435 /nfs/dbraw/zinc/85/34/35/531853435.db2.gz CLYTZEBNUMCTAN-IUODEOHRSA-N 1 2 376.316 2.316 20 0 GEADLO O=C(C[NH+]1CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)CC1)NC1CC1 ZINC000060339628 531841481 /nfs/dbraw/zinc/84/14/81/531841481.db2.gz WMUZUZBISMTCKW-UHFFFAOYSA-N 1 2 382.295 2.037 20 0 GEADLO CN(CC(=O)NCCNc1cccc[nH+]1)C(=O)c1ccc(Br)s1 ZINC000063704231 531859041 /nfs/dbraw/zinc/85/90/41/531859041.db2.gz JBEFBQCQHPGRFQ-UHFFFAOYSA-N 1 2 397.298 2.206 20 0 GEADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000067128388 531875975 /nfs/dbraw/zinc/87/59/75/531875975.db2.gz ULIDROJDQPSOPF-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000068037583 531894561 /nfs/dbraw/zinc/89/45/61/531894561.db2.gz JXNIESQRSYVSKK-GFCCVEGCSA-N 1 2 379.309 2.479 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCc2sccc2Br)CCO1 ZINC000171211277 531898234 /nfs/dbraw/zinc/89/82/34/531898234.db2.gz OLVWDHWPCNQHMT-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCc2sccc2Br)CCO1 ZINC000171211277 531898244 /nfs/dbraw/zinc/89/82/44/531898244.db2.gz OLVWDHWPCNQHMT-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1 ZINC000068951412 531907423 /nfs/dbraw/zinc/90/74/23/531907423.db2.gz MJOWEQXGOHKPTO-CVEARBPZSA-N 1 2 388.265 2.371 20 0 GEADLO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000078922355 531920459 /nfs/dbraw/zinc/92/04/59/531920459.db2.gz RCCNPQIOHATWGD-CQSZACIVSA-N 1 2 375.252 2.046 20 0 GEADLO COC(=O)CNC(=O)CC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000078922355 531920466 /nfs/dbraw/zinc/92/04/66/531920466.db2.gz RCCNPQIOHATWGD-CQSZACIVSA-N 1 2 375.252 2.046 20 0 GEADLO CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171945585 531924398 /nfs/dbraw/zinc/92/43/98/531924398.db2.gz QKECIAAOOQGNIM-GFCCVEGCSA-N 1 2 375.416 2.442 20 0 GEADLO CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171945585 531924407 /nfs/dbraw/zinc/92/44/07/531924407.db2.gz QKECIAAOOQGNIM-GFCCVEGCSA-N 1 2 375.416 2.442 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000171959567 531926352 /nfs/dbraw/zinc/92/63/52/531926352.db2.gz HOHQLDMDOLGFDP-UHFFFAOYSA-N 1 2 376.320 2.138 20 0 GEADLO NC(=O)[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Br)cc1 ZINC000171758837 531914441 /nfs/dbraw/zinc/91/44/41/531914441.db2.gz UOCCVAUYTPIOKO-RHSMWYFYSA-N 1 2 388.265 2.371 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000071972594 531915580 /nfs/dbraw/zinc/91/55/80/531915580.db2.gz CJXOIIBBZHWIBY-LBPRGKRZSA-N 1 2 380.341 2.155 20 0 GEADLO CCN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H](C)CS(=O)(=O)CC ZINC000172234336 531940977 /nfs/dbraw/zinc/94/09/77/531940977.db2.gz RTYHQZINEVWRLM-UONOGXRCSA-N 1 2 375.560 2.206 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2Br)CC1 ZINC000109120408 531942172 /nfs/dbraw/zinc/94/21/72/531942172.db2.gz WQTHUDIOTQJSDE-UHFFFAOYSA-N 1 2 396.329 2.052 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccccc2Br)CC1 ZINC000109120408 531942184 /nfs/dbraw/zinc/94/21/84/531942184.db2.gz WQTHUDIOTQJSDE-UHFFFAOYSA-N 1 2 396.329 2.052 20 0 GEADLO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCc2cccc(Br)c2C1 ZINC000172405122 531951514 /nfs/dbraw/zinc/95/15/14/531951514.db2.gz TXKQYUQRMSDIRW-UHFFFAOYSA-N 1 2 377.286 2.199 20 0 GEADLO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCc2cccc(Br)c2C1 ZINC000172405122 531951524 /nfs/dbraw/zinc/95/15/24/531951524.db2.gz TXKQYUQRMSDIRW-UHFFFAOYSA-N 1 2 377.286 2.199 20 0 GEADLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000172562037 531958060 /nfs/dbraw/zinc/95/80/60/531958060.db2.gz MTZAYCJHXTXCOE-INIZCTEOSA-N 1 2 387.933 2.095 20 0 GEADLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000172562037 531958064 /nfs/dbraw/zinc/95/80/64/531958064.db2.gz MTZAYCJHXTXCOE-INIZCTEOSA-N 1 2 387.933 2.095 20 0 GEADLO CCn1c(C[N@@H+]2CCSC[C@H]2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000172596025 531960093 /nfs/dbraw/zinc/96/00/93/531960093.db2.gz PQZYGCPULCILKR-CYBMUJFWSA-N 1 2 382.555 2.244 20 0 GEADLO CCn1c(C[N@H+]2CCSC[C@H]2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000172596025 531960095 /nfs/dbraw/zinc/96/00/95/531960095.db2.gz PQZYGCPULCILKR-CYBMUJFWSA-N 1 2 382.555 2.244 20 0 GEADLO COC[C@@H](C)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000117921426 531961531 /nfs/dbraw/zinc/96/15/31/531961531.db2.gz CHWLBZROSOEBRW-IUODEOHRSA-N 1 2 378.897 2.398 20 0 GEADLO COC[C@@H](C)S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000117921426 531961539 /nfs/dbraw/zinc/96/15/39/531961539.db2.gz CHWLBZROSOEBRW-IUODEOHRSA-N 1 2 378.897 2.398 20 0 GEADLO CC(C)c1nc(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cs1 ZINC000120145470 531975016 /nfs/dbraw/zinc/97/50/16/531975016.db2.gz CTZRZNNRJUZSDL-UHFFFAOYSA-N 1 2 380.539 2.236 20 0 GEADLO COCCC[N@H+](Cc1cnc(-c2ccccn2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000120193539 531976776 /nfs/dbraw/zinc/97/67/76/531976776.db2.gz PUASENGPRIGJEI-AWEZNQCLSA-N 1 2 381.523 2.231 20 0 GEADLO COCCC[N@@H+](Cc1cnc(-c2ccccn2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000120193539 531976782 /nfs/dbraw/zinc/97/67/82/531976782.db2.gz PUASENGPRIGJEI-AWEZNQCLSA-N 1 2 381.523 2.231 20 0 GEADLO COCC[NH+]1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000172995726 531978185 /nfs/dbraw/zinc/97/81/85/531978185.db2.gz ZAIZWQQRYYJSKA-UHFFFAOYSA-N 1 2 397.722 2.055 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)s2)cs1 ZINC000120731434 531992813 /nfs/dbraw/zinc/99/28/13/531992813.db2.gz CXSPCKMWKLOHBV-CYBMUJFWSA-N 1 2 399.563 2.322 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)s2)cs1 ZINC000120731434 531992817 /nfs/dbraw/zinc/99/28/17/531992817.db2.gz CXSPCKMWKLOHBV-CYBMUJFWSA-N 1 2 399.563 2.322 20 0 GEADLO Cc1cc(NCCNC(=O)CCn2cc(Br)cn2)nc(C(C)C)[nH+]1 ZINC000628826294 531979989 /nfs/dbraw/zinc/97/99/89/531979989.db2.gz GLWSAZCAXZZEDR-UHFFFAOYSA-N 1 2 395.305 2.486 20 0 GEADLO CC(=O)CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000120601931 531984198 /nfs/dbraw/zinc/98/41/98/531984198.db2.gz MRLZYICNDOCJBF-UHFFFAOYSA-N 1 2 395.344 2.186 20 0 GEADLO CC(=O)CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000120601931 531984205 /nfs/dbraw/zinc/98/42/05/531984205.db2.gz MRLZYICNDOCJBF-UHFFFAOYSA-N 1 2 395.344 2.186 20 0 GEADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1c[nH]c(=O)c(Br)c1 ZINC000173244749 531997308 /nfs/dbraw/zinc/99/73/08/531997308.db2.gz QFWXTQFNSMEVAM-UHFFFAOYSA-N 1 2 391.200 2.392 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccc(I)cc2)C2CC2)C1 ZINC000173357541 532005711 /nfs/dbraw/zinc/00/57/11/532005711.db2.gz CXAWGKWGYUGIIT-CQSZACIVSA-N 1 2 391.274 2.443 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccc(I)cc2)C2CC2)C1 ZINC000173357541 532005715 /nfs/dbraw/zinc/00/57/15/532005715.db2.gz CXAWGKWGYUGIIT-CQSZACIVSA-N 1 2 391.274 2.443 20 0 GEADLO COCCCNC(=O)C[N@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000121454822 532030492 /nfs/dbraw/zinc/03/04/92/532030492.db2.gz VCJVDQMSUGECES-UHFFFAOYSA-N 1 2 383.286 2.309 20 0 GEADLO COCCCNC(=O)C[N@@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000121454822 532030495 /nfs/dbraw/zinc/03/04/95/532030495.db2.gz VCJVDQMSUGECES-UHFFFAOYSA-N 1 2 383.286 2.309 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173750469 532031099 /nfs/dbraw/zinc/03/10/99/532031099.db2.gz XMSUUETWTXJIBS-LBPRGKRZSA-N 1 2 379.309 2.479 20 0 GEADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)n1 ZINC000121504301 532032170 /nfs/dbraw/zinc/03/21/70/532032170.db2.gz GRLRJECSAHSOBG-QWHCGFSZSA-N 1 2 376.548 2.178 20 0 GEADLO CCS[C@@H](C)c1noc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)n1 ZINC000121504301 532032175 /nfs/dbraw/zinc/03/21/75/532032175.db2.gz GRLRJECSAHSOBG-QWHCGFSZSA-N 1 2 376.548 2.178 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000121546023 532033961 /nfs/dbraw/zinc/03/39/61/532033961.db2.gz CUNXSKFTAMJRSU-SUMWQHHRSA-N 1 2 397.313 2.493 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173896210 532040471 /nfs/dbraw/zinc/04/04/71/532040471.db2.gz YKIHNWYPAZBQSY-CQSZACIVSA-N 1 2 376.881 2.355 20 0 GEADLO NC(=O)c1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)c1 ZINC000173891572 532041110 /nfs/dbraw/zinc/04/11/10/532041110.db2.gz JRPZPKYRQKHEKN-CQSZACIVSA-N 1 2 380.217 2.003 20 0 GEADLO O=C(C[NH+]1CCN(Cc2cc(O)ccc2Br)CC1)N1CCCCC1 ZINC000121857259 532050555 /nfs/dbraw/zinc/05/05/55/532050555.db2.gz SJPDFDWOCDJPNX-UHFFFAOYSA-N 1 2 396.329 2.285 20 0 GEADLO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174487199 532066484 /nfs/dbraw/zinc/06/64/84/532066484.db2.gz KGLUPIVLQVVEOJ-ZDUSSCGKSA-N 1 2 397.269 2.115 20 0 GEADLO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)n(-c2cccc(Br)c2)n1 ZINC000174500334 532068106 /nfs/dbraw/zinc/06/81/06/532068106.db2.gz AHHQYWKKYAZUDD-AWEZNQCLSA-N 1 2 379.258 2.212 20 0 GEADLO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n(-c2cccc(Br)c2)n1 ZINC000174500334 532068110 /nfs/dbraw/zinc/06/81/10/532068110.db2.gz AHHQYWKKYAZUDD-AWEZNQCLSA-N 1 2 379.258 2.212 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000122559162 532075351 /nfs/dbraw/zinc/07/53/51/532075351.db2.gz XDJJGKSFIPDENU-KGLIPLIRSA-N 1 2 376.881 2.152 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000122559162 532075354 /nfs/dbraw/zinc/07/53/54/532075354.db2.gz XDJJGKSFIPDENU-KGLIPLIRSA-N 1 2 376.881 2.152 20 0 GEADLO CCS(=O)(=O)c1cccc(CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000122872773 532085710 /nfs/dbraw/zinc/08/57/10/532085710.db2.gz PFWSRTRRTFBXJO-UHFFFAOYSA-N 1 2 379.507 2.106 20 0 GEADLO CCS(=O)(=O)c1cccc(CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000122872773 532085717 /nfs/dbraw/zinc/08/57/17/532085717.db2.gz PFWSRTRRTFBXJO-UHFFFAOYSA-N 1 2 379.507 2.106 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 ZINC000123332746 532099214 /nfs/dbraw/zinc/09/92/14/532099214.db2.gz JGAZHGIYVQWDME-LLVKDONJSA-N 1 2 397.324 2.079 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000123229560 532096219 /nfs/dbraw/zinc/09/62/19/532096219.db2.gz HUOPUYPMIVWBQM-LLVKDONJSA-N 1 2 398.859 2.019 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000123318505 532097674 /nfs/dbraw/zinc/09/76/74/532097674.db2.gz PRNNTUCICDJWFP-ZDUSSCGKSA-N 1 2 381.325 2.212 20 0 GEADLO CCSCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000123288325 532097847 /nfs/dbraw/zinc/09/78/47/532097847.db2.gz CUMJXUIXFBBCCO-UHFFFAOYSA-N 1 2 378.947 2.408 20 0 GEADLO CC[C@](C)(O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000123280901 532097888 /nfs/dbraw/zinc/09/78/88/532097888.db2.gz CEQWVTKSEJCBLE-HNNXBMFYSA-N 1 2 381.325 2.461 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)CC1 ZINC000123276382 532098161 /nfs/dbraw/zinc/09/81/61/532098161.db2.gz KIARCIBUNLNXTK-CYBMUJFWSA-N 1 2 380.432 2.091 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cn(C)c(Cl)n1)c1cccc(F)c1 ZINC000123549232 532100994 /nfs/dbraw/zinc/10/09/94/532100994.db2.gz KPKCUTAQSZULMF-ZDUSSCGKSA-N 1 2 383.836 2.014 20 0 GEADLO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175463487 532103893 /nfs/dbraw/zinc/10/38/93/532103893.db2.gz OGSXFYNUOWHXSO-UHFFFAOYSA-N 1 2 379.309 2.479 20 0 GEADLO Cn1cc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3F)CC2)nc1Cl ZINC000123693569 532104658 /nfs/dbraw/zinc/10/46/58/532104658.db2.gz SQCXPSPTDGCJFB-UHFFFAOYSA-N 1 2 386.880 2.156 20 0 GEADLO Cn1cc(S(=O)(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)nc1Cl ZINC000123658528 532104756 /nfs/dbraw/zinc/10/47/56/532104756.db2.gz CAPKXSYUSKURNH-UHFFFAOYSA-N 1 2 383.905 2.327 20 0 GEADLO Cc1nc(CN2CC[NH+](Cc3cnc(N4CCOCC4)s3)CC2)cs1 ZINC000123935134 532110745 /nfs/dbraw/zinc/11/07/45/532110745.db2.gz FHXYAZQTKBDOPE-UHFFFAOYSA-N 1 2 379.555 2.062 20 0 GEADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000124282228 532118187 /nfs/dbraw/zinc/11/81/87/532118187.db2.gz CHFJUPVLBJIKSD-BXUZGUMPSA-N 1 2 379.869 2.086 20 0 GEADLO C[C@H](CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)Cc1cccs1 ZINC000175806521 532114978 /nfs/dbraw/zinc/11/49/78/532114978.db2.gz KBJGRXVINAEVHG-YJBOKZPZSA-N 1 2 383.583 2.434 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)S1 ZINC000175791205 532115389 /nfs/dbraw/zinc/11/53/89/532115389.db2.gz XDQUOUTXAINLSA-GFCCVEGCSA-N 1 2 389.493 2.292 20 0 GEADLO CCc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1S(C)(=O)=O ZINC000125546112 532138487 /nfs/dbraw/zinc/13/84/87/532138487.db2.gz GLVRNFQYWCWCHO-UHFFFAOYSA-N 1 2 379.507 2.349 20 0 GEADLO CCc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1S(C)(=O)=O ZINC000125546112 532138488 /nfs/dbraw/zinc/13/84/88/532138488.db2.gz GLVRNFQYWCWCHO-UHFFFAOYSA-N 1 2 379.507 2.349 20 0 GEADLO Cn1cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c(-c2ccccc2Cl)n1 ZINC000125110587 532132670 /nfs/dbraw/zinc/13/26/70/532132670.db2.gz BODUTIACHOWVHN-UHFFFAOYSA-N 1 2 382.917 2.208 20 0 GEADLO Cn1cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)c(-c2ccccc2Cl)n1 ZINC000125110587 532132674 /nfs/dbraw/zinc/13/26/74/532132674.db2.gz BODUTIACHOWVHN-UHFFFAOYSA-N 1 2 382.917 2.208 20 0 GEADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)C1 ZINC000125125883 532132759 /nfs/dbraw/zinc/13/27/59/532132759.db2.gz SNTPQUMTLSVOPT-CQSZACIVSA-N 1 2 393.241 2.301 20 0 GEADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)C1 ZINC000125125883 532132762 /nfs/dbraw/zinc/13/27/62/532132762.db2.gz SNTPQUMTLSVOPT-CQSZACIVSA-N 1 2 393.241 2.301 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000125477870 532135762 /nfs/dbraw/zinc/13/57/62/532135762.db2.gz XIHZIEXXMVIXNS-SMDDNHRTSA-N 1 2 376.284 2.047 20 0 GEADLO O=C(C[S@@](=O)Cc1cn2cc(Br)ccc2[nH+]1)NCC(F)(F)F ZINC000176556004 532141042 /nfs/dbraw/zinc/14/10/42/532141042.db2.gz RGNOMVTTXJDQIY-QFIPXVFZSA-N 1 2 398.204 2.024 20 0 GEADLO O=S(=O)(Cc1cn2cc(Cl)ccc2[nH+]1)c1nnc(N2CCCC2)s1 ZINC000176706324 532146444 /nfs/dbraw/zinc/14/64/44/532146444.db2.gz MQBZQQJYVIOOEU-UHFFFAOYSA-N 1 2 383.886 2.413 20 0 GEADLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(OC)c(Br)c2)CC1 ZINC000126465232 532148385 /nfs/dbraw/zinc/14/83/85/532148385.db2.gz VKWKVAOTUVOZEF-AWEZNQCLSA-N 1 2 398.345 2.490 20 0 GEADLO Cn1c[nH+]cc1CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000177245779 532166536 /nfs/dbraw/zinc/16/65/36/532166536.db2.gz PQAQUNXJGRVEQB-UHFFFAOYSA-N 1 2 389.308 2.233 20 0 GEADLO CN(CC[NH2+][C@H](c1ncc[nH]1)c1ccccc1)S(=O)(=O)c1cccs1 ZINC000128118388 532161682 /nfs/dbraw/zinc/16/16/82/532161682.db2.gz XOJSWRPTBWXLTN-INIZCTEOSA-N 1 2 376.507 2.471 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1Cl ZINC000177773576 532182264 /nfs/dbraw/zinc/18/22/64/532182264.db2.gz YJWCFHPEBJNCCP-CYBMUJFWSA-N 1 2 382.873 2.213 20 0 GEADLO Cn1ncnc1C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000177454788 532171833 /nfs/dbraw/zinc/17/18/33/532171833.db2.gz GWZQYLMJYPQNNK-UHFFFAOYSA-N 1 2 398.248 2.463 20 0 GEADLO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000177634586 532177490 /nfs/dbraw/zinc/17/74/90/532177490.db2.gz HKNGEDXKJJSHCD-OAHLLOKOSA-N 1 2 383.539 2.389 20 0 GEADLO COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000177634586 532177493 /nfs/dbraw/zinc/17/74/93/532177493.db2.gz HKNGEDXKJJSHCD-OAHLLOKOSA-N 1 2 383.539 2.389 20 0 GEADLO Clc1ccc(N2CC[NH+](Cc3cnc(N4CCOCC4)s3)CC2)nc1 ZINC000130281223 532191125 /nfs/dbraw/zinc/19/11/25/532191125.db2.gz QJVXFXAJZWXMNK-UHFFFAOYSA-N 1 2 379.917 2.350 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000131235131 532194915 /nfs/dbraw/zinc/19/49/15/532194915.db2.gz XVZLCKAMDYHEQP-UHFFFAOYSA-N 1 2 376.320 2.055 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000131235131 532194917 /nfs/dbraw/zinc/19/49/17/532194917.db2.gz XVZLCKAMDYHEQP-UHFFFAOYSA-N 1 2 376.320 2.055 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)Cc1cc(Cl)ccc1F)[NH+]1CCN(C)CC1 ZINC000131315115 532195740 /nfs/dbraw/zinc/19/57/40/532195740.db2.gz SAWDRADCGPWFSW-KRWDZBQOSA-N 1 2 391.940 2.171 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000131475684 532197847 /nfs/dbraw/zinc/19/78/47/532197847.db2.gz QDRJNYWWYDCVCV-UHFFFAOYSA-N 1 2 384.889 2.494 20 0 GEADLO C[C@H]1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000131473604 532197961 /nfs/dbraw/zinc/19/79/61/532197961.db2.gz SGXLTTURYHMEIU-SMDDNHRTSA-N 1 2 394.273 2.459 20 0 GEADLO COc1cc[nH+]cc1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000131465269 532198027 /nfs/dbraw/zinc/19/80/27/532198027.db2.gz UJCWAECGRHFWOZ-UHFFFAOYSA-N 1 2 399.266 2.406 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000129919943 532187266 /nfs/dbraw/zinc/18/72/66/532187266.db2.gz OSYDTQSLTGSGNT-UHFFFAOYSA-N 1 2 383.221 2.272 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)NCC1(CS(C)(=O)=O)CC1)c1ccsc1 ZINC000178537802 532205239 /nfs/dbraw/zinc/20/52/39/532205239.db2.gz HYHFYTIWKXCHKG-OAHLLOKOSA-N 1 2 387.571 2.255 20 0 GEADLO O=C(Cn1cc[nH+]c1)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000131943667 532206744 /nfs/dbraw/zinc/20/67/44/532206744.db2.gz DWOQFQYJVAIDJU-UHFFFAOYSA-N 1 2 381.249 2.129 20 0 GEADLO O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178658621 532209333 /nfs/dbraw/zinc/20/93/33/532209333.db2.gz YOSSFCTXFXSIKX-AWEZNQCLSA-N 1 2 376.913 2.122 20 0 GEADLO O=C(C[NH+]1CCC(OC[C@@H]2CCOC2)CC1)Nc1ccc(Br)cn1 ZINC000131604768 532201267 /nfs/dbraw/zinc/20/12/67/532201267.db2.gz YISCSTYUTKYEPN-CYBMUJFWSA-N 1 2 398.301 2.300 20 0 GEADLO CS(=O)(=O)CC1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000178448748 532201779 /nfs/dbraw/zinc/20/17/79/532201779.db2.gz MOVCNALQLWXJEJ-CQSZACIVSA-N 1 2 385.555 2.009 20 0 GEADLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c(Br)n1 ZINC000179274899 532227375 /nfs/dbraw/zinc/22/73/75/532227375.db2.gz DQVCVTDAIJOSJI-UHFFFAOYSA-N 1 2 391.269 2.314 20 0 GEADLO CCCn1c(C)nnc1SCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000179326675 532228696 /nfs/dbraw/zinc/22/86/96/532228696.db2.gz RXXXJHPWFVROID-UHFFFAOYSA-N 1 2 379.555 2.495 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NS(=O)(=O)c2ccccn2)c2ccc(Cl)cc2)C1 ZINC000133356959 532232583 /nfs/dbraw/zinc/23/25/83/532232583.db2.gz TXNKNGILCRNPDI-DOTOQJQBSA-N 1 2 381.885 2.085 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NS(=O)(=O)c2ccccn2)c2ccc(Cl)cc2)C1 ZINC000133356959 532232586 /nfs/dbraw/zinc/23/25/86/532232586.db2.gz TXNKNGILCRNPDI-DOTOQJQBSA-N 1 2 381.885 2.085 20 0 GEADLO Cn1cc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc(Br)c1=O ZINC000178966782 532219430 /nfs/dbraw/zinc/21/94/30/532219430.db2.gz PQLSANINERJXHR-UHFFFAOYSA-N 1 2 376.214 2.117 20 0 GEADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc(Br)cc(C(F)(F)F)c1 ZINC000179072735 532221387 /nfs/dbraw/zinc/22/13/87/532221387.db2.gz ZLQRQFCRVCNMSS-ZDUSSCGKSA-N 1 2 392.219 2.198 20 0 GEADLO CN(C)C(=O)CN(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000133719794 532241663 /nfs/dbraw/zinc/24/16/63/532241663.db2.gz UTWPCWYLSCLBOQ-MRXNPFEDSA-N 1 2 382.302 2.133 20 0 GEADLO O=C(C[C@H](O)c1ccc(Cl)cc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000179730591 532242290 /nfs/dbraw/zinc/24/22/90/532242290.db2.gz MULYVFUSJPBASG-WMZOPIPTSA-N 1 2 384.929 2.088 20 0 GEADLO Brc1cc(C[NH+]2CCN(c3cccnn3)CC2)cc2c1OCCO2 ZINC000179842352 532246965 /nfs/dbraw/zinc/24/69/65/532246965.db2.gz UKPUXFBCAWMKIA-UHFFFAOYSA-N 1 2 391.269 2.333 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1cc(Cl)ccc1Br ZINC000134001376 532247544 /nfs/dbraw/zinc/24/75/44/532247544.db2.gz FHTWMTPEVZOMNE-UHFFFAOYSA-N 1 2 385.649 2.444 20 0 GEADLO O=S1(=O)CCC[C@H]([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135302524 532270149 /nfs/dbraw/zinc/27/01/49/532270149.db2.gz NEBFOCZNCNEFTC-VIFPVBQESA-N 1 2 398.120 2.273 20 0 GEADLO CC[N@H+](CCS(C)(=O)=O)Cc1cc(Br)c2c(c1)OCCO2 ZINC000180088373 532257067 /nfs/dbraw/zinc/25/70/67/532257067.db2.gz QEDLVSRKVYUTER-UHFFFAOYSA-N 1 2 378.288 2.087 20 0 GEADLO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(Br)c2c(c1)OCCO2 ZINC000180088373 532257070 /nfs/dbraw/zinc/25/70/70/532257070.db2.gz QEDLVSRKVYUTER-UHFFFAOYSA-N 1 2 378.288 2.087 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@](C)(O)C2)cc(I)c1OC ZINC000180197528 532260507 /nfs/dbraw/zinc/26/05/07/532260507.db2.gz IJZVKGFKJBKESX-AWEZNQCLSA-N 1 2 377.222 2.265 20 0 GEADLO COc1cc(C[N@H+]2CC[C@](C)(O)C2)cc(I)c1OC ZINC000180197528 532260512 /nfs/dbraw/zinc/26/05/12/532260512.db2.gz IJZVKGFKJBKESX-AWEZNQCLSA-N 1 2 377.222 2.265 20 0 GEADLO COc1cc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)sc1Br ZINC000134813574 532263708 /nfs/dbraw/zinc/26/37/08/532263708.db2.gz NZSYRIXJRWVFPW-JTQLQIEISA-N 1 2 375.288 2.112 20 0 GEADLO COc1cc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)sc1Br ZINC000134813574 532263712 /nfs/dbraw/zinc/26/37/12/532263712.db2.gz NZSYRIXJRWVFPW-JTQLQIEISA-N 1 2 375.288 2.112 20 0 GEADLO CSC[C@H]1CCC[N@@H+]1CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000135478893 532274637 /nfs/dbraw/zinc/27/46/37/532274637.db2.gz BQNIPXKLHZPJDB-IAGOWNOFSA-N 1 2 388.599 2.162 20 0 GEADLO CSC[C@H]1CCC[N@H+]1CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000135478893 532274643 /nfs/dbraw/zinc/27/46/43/532274643.db2.gz BQNIPXKLHZPJDB-IAGOWNOFSA-N 1 2 388.599 2.162 20 0 GEADLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccccc1Br ZINC000180602308 532275747 /nfs/dbraw/zinc/27/57/47/532275747.db2.gz KBMGEYODGPNGAR-OAHLLOKOSA-N 1 2 384.318 2.431 20 0 GEADLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ccccc1Br ZINC000180602308 532275752 /nfs/dbraw/zinc/27/57/52/532275752.db2.gz KBMGEYODGPNGAR-OAHLLOKOSA-N 1 2 384.318 2.431 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135672008 532277708 /nfs/dbraw/zinc/27/77/08/532277708.db2.gz HOJWRCQYHXQMQO-HNNXBMFYSA-N 1 2 385.917 2.087 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135672008 532277713 /nfs/dbraw/zinc/27/77/13/532277713.db2.gz HOJWRCQYHXQMQO-HNNXBMFYSA-N 1 2 385.917 2.087 20 0 GEADLO CC[C@H](CSC)[N@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000180676584 532277703 /nfs/dbraw/zinc/27/77/03/532277703.db2.gz NIRNJMXMQCIGGI-NVXWUHKLSA-N 1 2 390.615 2.408 20 0 GEADLO CC[C@H](CSC)[N@@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000180676584 532277707 /nfs/dbraw/zinc/27/77/07/532277707.db2.gz NIRNJMXMQCIGGI-NVXWUHKLSA-N 1 2 390.615 2.408 20 0 GEADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000135384179 532272871 /nfs/dbraw/zinc/27/28/71/532272871.db2.gz NOOLLQRUZLKJRF-OAHLLOKOSA-N 1 2 375.252 2.178 20 0 GEADLO Cc1cc(Br)ccc1C[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000181187786 532293276 /nfs/dbraw/zinc/29/32/76/532293276.db2.gz VCXVZMVITWXWKH-UHFFFAOYSA-N 1 2 390.281 2.404 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCN(c2cnccn2)CC1 ZINC000144314937 532296841 /nfs/dbraw/zinc/29/68/41/532296841.db2.gz ZAMBXCGISSWOLH-ZDUSSCGKSA-N 1 2 390.285 2.388 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000181555892 532301493 /nfs/dbraw/zinc/30/14/93/532301493.db2.gz MICXRSKQKLMQPY-JTQLQIEISA-N 1 2 383.333 2.033 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000181555892 532301497 /nfs/dbraw/zinc/30/14/97/532301497.db2.gz MICXRSKQKLMQPY-JTQLQIEISA-N 1 2 383.333 2.033 20 0 GEADLO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000181692840 532305006 /nfs/dbraw/zinc/30/50/06/532305006.db2.gz SQTRHWNOQZGHLD-LBPRGKRZSA-N 1 2 375.281 2.062 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000182415330 532312659 /nfs/dbraw/zinc/31/26/59/532312659.db2.gz OTGJKTCUOXLVKV-UHFFFAOYSA-N 1 2 385.873 2.458 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[NH+](CCCO)CC1 ZINC000182442405 532313245 /nfs/dbraw/zinc/31/32/45/532313245.db2.gz FDUDCJWZAPDKMW-UHFFFAOYSA-N 1 2 386.823 2.048 20 0 GEADLO C[C@H]1C[N@H+](CCCc2ccccc2Br)CCN1S(C)(=O)=O ZINC000182473214 532313837 /nfs/dbraw/zinc/31/38/37/532313837.db2.gz FNZZTXMEEBKPTL-ZDUSSCGKSA-N 1 2 375.332 2.347 20 0 GEADLO C[C@H]1C[N@@H+](CCCc2ccccc2Br)CCN1S(C)(=O)=O ZINC000182473214 532313840 /nfs/dbraw/zinc/31/38/40/532313840.db2.gz FNZZTXMEEBKPTL-ZDUSSCGKSA-N 1 2 375.332 2.347 20 0 GEADLO Cc1nsc(N2CC[NH+](C[C@H](O)COc3cc(C)ccc3Cl)CC2)n1 ZINC000182533985 532314526 /nfs/dbraw/zinc/31/45/26/532314526.db2.gz BWVSFTZBTFZDHW-AWEZNQCLSA-N 1 2 382.917 2.370 20 0 GEADLO COc1ccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)nc1Br ZINC000183224278 532322254 /nfs/dbraw/zinc/32/22/54/532322254.db2.gz GDTOKLZPQYNJQY-UHFFFAOYSA-N 1 2 386.290 2.036 20 0 GEADLO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000185608978 532338179 /nfs/dbraw/zinc/33/81/79/532338179.db2.gz WJZCIBXHPULUKY-INMHGKMJSA-N 1 2 384.567 2.384 20 0 GEADLO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000185608978 532338180 /nfs/dbraw/zinc/33/81/80/532338180.db2.gz WJZCIBXHPULUKY-INMHGKMJSA-N 1 2 384.567 2.384 20 0 GEADLO C[C@@H](c1nccs1)N1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000185616140 532338209 /nfs/dbraw/zinc/33/82/09/532338209.db2.gz FUMWOEYNLJXXKC-AWEZNQCLSA-N 1 2 379.555 2.315 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CC1 ZINC000185797126 532338727 /nfs/dbraw/zinc/33/87/27/532338727.db2.gz DQOGHKUTINEUJI-GFCCVEGCSA-N 1 2 378.947 2.139 20 0 GEADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCCCS(C)(=O)=O)CC1 ZINC000186301068 532340518 /nfs/dbraw/zinc/34/05/18/532340518.db2.gz SEZLYWCZIWRISK-HNNXBMFYSA-N 1 2 387.571 2.351 20 0 GEADLO Cc1cc(=O)n2nc(C[NH2+][C@@H](CO)c3cccc(Br)c3)sc2n1 ZINC000183910867 532330008 /nfs/dbraw/zinc/33/00/08/532330008.db2.gz QUACCBAZUUSZLY-LBPRGKRZSA-N 1 2 395.282 2.045 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184105889 532330869 /nfs/dbraw/zinc/33/08/69/532330869.db2.gz VDPFQPWNHXTOMK-OAHLLOKOSA-N 1 2 383.286 2.105 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184105889 532330870 /nfs/dbraw/zinc/33/08/70/532330870.db2.gz VDPFQPWNHXTOMK-OAHLLOKOSA-N 1 2 383.286 2.105 20 0 GEADLO C[C@@H]1C[N@H+](CCSc2nnc(-c3ccccc3Br)n2N)CCO1 ZINC000188194687 532347299 /nfs/dbraw/zinc/34/72/99/532347299.db2.gz CAZUUTZETYXPOL-LLVKDONJSA-N 1 2 398.330 2.234 20 0 GEADLO C[C@@H]1C[N@@H+](CCSc2nnc(-c3ccccc3Br)n2N)CCO1 ZINC000188194687 532347300 /nfs/dbraw/zinc/34/73/00/532347300.db2.gz CAZUUTZETYXPOL-LLVKDONJSA-N 1 2 398.330 2.234 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)sc1Br ZINC000188216402 532347414 /nfs/dbraw/zinc/34/74/14/532347414.db2.gz KEGUFVONEPCBNB-SECBINFHSA-N 1 2 382.349 2.367 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000188280622 532347701 /nfs/dbraw/zinc/34/77/01/532347701.db2.gz KASHXVSPPOHRQW-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO CN1CC[C@H]([N@H+](C)Cc2cccc(Br)c2OCC(C)(C)O)C1=O ZINC000191354545 532360608 /nfs/dbraw/zinc/36/06/08/532360608.db2.gz AYTXHLSNCJKKNN-AWEZNQCLSA-N 1 2 385.302 2.261 20 0 GEADLO CN1CC[C@H]([N@@H+](C)Cc2cccc(Br)c2OCC(C)(C)O)C1=O ZINC000191354545 532360609 /nfs/dbraw/zinc/36/06/09/532360609.db2.gz AYTXHLSNCJKKNN-AWEZNQCLSA-N 1 2 385.302 2.261 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000188722050 532349443 /nfs/dbraw/zinc/34/94/43/532349443.db2.gz NGOJOLYKUXUESW-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@H+]1CCO ZINC000188722050 532349444 /nfs/dbraw/zinc/34/94/44/532349444.db2.gz NGOJOLYKUXUESW-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000188775385 532349526 /nfs/dbraw/zinc/34/95/26/532349526.db2.gz ZHPGJQSOIXKXEK-GDBMZVCRSA-N 1 2 382.254 2.223 20 0 GEADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000188775385 532349527 /nfs/dbraw/zinc/34/95/27/532349527.db2.gz ZHPGJQSOIXKXEK-GDBMZVCRSA-N 1 2 382.254 2.223 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1ccc(C(F)(F)F)cc1Cl ZINC000189088403 532350800 /nfs/dbraw/zinc/35/08/00/532350800.db2.gz XYURPLHZNHQPMC-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1ccc(C(F)(F)F)cc1Cl ZINC000189088403 532350801 /nfs/dbraw/zinc/35/08/01/532350801.db2.gz XYURPLHZNHQPMC-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(Cl)cc1F ZINC000189339656 532351795 /nfs/dbraw/zinc/35/17/95/532351795.db2.gz JTYZXJKOVPFYDH-UHFFFAOYSA-N 1 2 386.876 2.382 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000189407301 532352010 /nfs/dbraw/zinc/35/20/10/532352010.db2.gz YKLVDVVCKWHEAT-VIFPVBQESA-N 1 2 394.686 2.110 20 0 GEADLO C[C@@H](c1nnnn1C)N1CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000189423990 532352093 /nfs/dbraw/zinc/35/20/93/532352093.db2.gz BLXBSCDTPIPHPG-STQMWFEESA-N 1 2 379.306 2.412 20 0 GEADLO COC[C@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@@H](C)O1 ZINC000189410135 532352131 /nfs/dbraw/zinc/35/21/31/532352131.db2.gz DJUDELHAWYKGJL-UKRRQHHQSA-N 1 2 385.302 2.143 20 0 GEADLO COC[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@@H](C)O1 ZINC000189410135 532352132 /nfs/dbraw/zinc/35/21/32/532352132.db2.gz DJUDELHAWYKGJL-UKRRQHHQSA-N 1 2 385.302 2.143 20 0 GEADLO CC[N@@H+](CC(=O)NCCc1nc2ccccc2s1)C[C@@H](O)C(F)(F)F ZINC000189448711 532352271 /nfs/dbraw/zinc/35/22/71/532352271.db2.gz QCKLNUCMIUBPJM-CYBMUJFWSA-N 1 2 375.416 2.200 20 0 GEADLO CC[N@H+](CC(=O)NCCc1nc2ccccc2s1)C[C@@H](O)C(F)(F)F ZINC000189448711 532352272 /nfs/dbraw/zinc/35/22/72/532352272.db2.gz QCKLNUCMIUBPJM-CYBMUJFWSA-N 1 2 375.416 2.200 20 0 GEADLO CC[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)C[C@H](O)C(F)(F)F ZINC000189480717 532352426 /nfs/dbraw/zinc/35/24/26/532352426.db2.gz URUHFQJAYBVNNP-LBPRGKRZSA-N 1 2 376.404 2.177 20 0 GEADLO CC[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)C[C@H](O)C(F)(F)F ZINC000189480717 532352427 /nfs/dbraw/zinc/35/24/27/532352427.db2.gz URUHFQJAYBVNNP-LBPRGKRZSA-N 1 2 376.404 2.177 20 0 GEADLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)[NH+]1CCOCC1 ZINC000190455225 532356125 /nfs/dbraw/zinc/35/61/25/532356125.db2.gz LEOGAJOOPUWANB-VHSXEESVSA-N 1 2 392.258 2.296 20 0 GEADLO C[C@H]1COCCN1CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000191430581 532360846 /nfs/dbraw/zinc/36/08/46/532360846.db2.gz ZXUUZAPIIXHGFH-AWEZNQCLSA-N 1 2 386.323 2.472 20 0 GEADLO CN(C[C@H](O)C(F)(F)F)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190879121 532358571 /nfs/dbraw/zinc/35/85/71/532358571.db2.gz UWLRTIRFVWLOGX-AWEZNQCLSA-N 1 2 379.810 2.263 20 0 GEADLO CN(C[C@H](O)C(F)(F)F)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190879121 532358572 /nfs/dbraw/zinc/35/85/72/532358572.db2.gz UWLRTIRFVWLOGX-AWEZNQCLSA-N 1 2 379.810 2.263 20 0 GEADLO Cn1cc([C@H]2CSCC[N@@H+]2CC(=O)N2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000191200862 532359926 /nfs/dbraw/zinc/35/99/26/532359926.db2.gz YGMOMPXSLNCFLI-UONOGXRCSA-N 1 2 376.448 2.311 20 0 GEADLO Cn1cc([C@H]2CSCC[N@H+]2CC(=O)N2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000191200862 532359927 /nfs/dbraw/zinc/35/99/27/532359927.db2.gz YGMOMPXSLNCFLI-UONOGXRCSA-N 1 2 376.448 2.311 20 0 GEADLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191315710 532360326 /nfs/dbraw/zinc/36/03/26/532360326.db2.gz PSTPOKIRWWAWAM-LLVKDONJSA-N 1 2 379.452 2.374 20 0 GEADLO CCCCNC(=O)[C@@H](C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191315710 532360327 /nfs/dbraw/zinc/36/03/27/532360327.db2.gz PSTPOKIRWWAWAM-LLVKDONJSA-N 1 2 379.452 2.374 20 0 GEADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191317108 532360526 /nfs/dbraw/zinc/36/05/26/532360526.db2.gz OBPCRRTUGXSVOE-NSHDSACASA-N 1 2 379.452 2.324 20 0 GEADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191317108 532360527 /nfs/dbraw/zinc/36/05/27/532360527.db2.gz OBPCRRTUGXSVOE-NSHDSACASA-N 1 2 379.452 2.324 20 0 GEADLO O=C(c1cc(Br)ncc1Cl)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000187593563 532345008 /nfs/dbraw/zinc/34/50/08/532345008.db2.gz CHYAMELNNOAMSZ-NSHDSACASA-N 1 2 388.693 2.434 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1nc(C(C)(C)C)cs1 ZINC000463420876 532373378 /nfs/dbraw/zinc/37/33/78/532373378.db2.gz CMSIJTYYNLDZFR-CYBMUJFWSA-N 1 2 375.560 2.143 20 0 GEADLO OCC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C(F)F ZINC000647536386 532375175 /nfs/dbraw/zinc/37/51/75/532375175.db2.gz JKSVZCNSYQMVNC-KOLCDFICSA-N 1 2 388.636 2.448 20 0 GEADLO Cn1ncc(Br)c1CNC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000278404422 532378194 /nfs/dbraw/zinc/37/81/94/532378194.db2.gz OGRAEXPAPLEWTB-OAHLLOKOSA-N 1 2 379.302 2.173 20 0 GEADLO Cn1ncc(Br)c1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000278404422 532378200 /nfs/dbraw/zinc/37/82/00/532378200.db2.gz OGRAEXPAPLEWTB-OAHLLOKOSA-N 1 2 379.302 2.173 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000516063389 532378318 /nfs/dbraw/zinc/37/83/18/532378318.db2.gz PLFOYUHAGMRXFL-GFCCVEGCSA-N 1 2 385.686 2.425 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCN1CCOC[C@@H]1C ZINC000191419787 532360928 /nfs/dbraw/zinc/36/09/28/532360928.db2.gz RJMUOPAYWPFJPO-AWEZNQCLSA-N 1 2 384.318 2.349 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCN1CCOC[C@@H]1C ZINC000191419787 532360929 /nfs/dbraw/zinc/36/09/29/532360929.db2.gz RJMUOPAYWPFJPO-AWEZNQCLSA-N 1 2 384.318 2.349 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)CC[N@H+]1CCOC[C@@H]1C ZINC000191419787 532360930 /nfs/dbraw/zinc/36/09/30/532360930.db2.gz RJMUOPAYWPFJPO-AWEZNQCLSA-N 1 2 384.318 2.349 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)CC[N@@H+]1CCOC[C@@H]1C ZINC000191419787 532360931 /nfs/dbraw/zinc/36/09/31/532360931.db2.gz RJMUOPAYWPFJPO-AWEZNQCLSA-N 1 2 384.318 2.349 20 0 GEADLO C[C@@H]1C[N@H+](CCN(CCO)Cc2cc(Br)ccc2F)CCO1 ZINC000191478200 532361078 /nfs/dbraw/zinc/36/10/78/532361078.db2.gz JMYYXQZXYBURFP-CYBMUJFWSA-N 1 2 375.282 2.103 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(CCO)Cc2cc(Br)ccc2F)CCO1 ZINC000191478200 532361079 /nfs/dbraw/zinc/36/10/79/532361079.db2.gz JMYYXQZXYBURFP-CYBMUJFWSA-N 1 2 375.282 2.103 20 0 GEADLO Cc1csc(NC(=O)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000191490309 532361155 /nfs/dbraw/zinc/36/11/55/532361155.db2.gz QURFVTGEERWVCS-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO Cc1csc(NC(=O)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000191490309 532361156 /nfs/dbraw/zinc/36/11/56/532361156.db2.gz QURFVTGEERWVCS-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO C[C@H](NC(=O)CSc1n[nH]c(=S)s1)C1([NH+]2CCOCC2)CCCC1 ZINC000371912722 532362039 /nfs/dbraw/zinc/36/20/39/532362039.db2.gz UZUNGPMQGCTQFY-NSHDSACASA-N 1 2 388.584 2.069 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C[C@@H]1C ZINC000677147547 532365244 /nfs/dbraw/zinc/36/52/44/532365244.db2.gz FFGHIUBMJXSTTA-VIFPVBQESA-N 1 2 383.258 2.442 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C[C@@H]1C ZINC000677147547 532365252 /nfs/dbraw/zinc/36/52/52/532365252.db2.gz FFGHIUBMJXSTTA-VIFPVBQESA-N 1 2 383.258 2.442 20 0 GEADLO CS(=O)(=O)[C@@H]1CCCC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000277893486 532365699 /nfs/dbraw/zinc/36/56/99/532365699.db2.gz WCOFGKYIGUOLEV-DOMZBBRYSA-N 1 2 376.316 2.382 20 0 GEADLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000277893486 532365700 /nfs/dbraw/zinc/36/57/00/532365700.db2.gz WCOFGKYIGUOLEV-DOMZBBRYSA-N 1 2 376.316 2.382 20 0 GEADLO CS(=O)(=O)[C@@H]1CCCC[N@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000277893491 532366169 /nfs/dbraw/zinc/36/61/69/532366169.db2.gz WCOFGKYIGUOLEV-IUODEOHRSA-N 1 2 376.316 2.382 20 0 GEADLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000277893491 532366173 /nfs/dbraw/zinc/36/61/73/532366173.db2.gz WCOFGKYIGUOLEV-IUODEOHRSA-N 1 2 376.316 2.382 20 0 GEADLO C[C@@H](C(=O)NCCc1c[nH]c2ccc(Br)cc12)[NH+]1CCOCC1 ZINC000515497014 532366361 /nfs/dbraw/zinc/36/63/61/532366361.db2.gz MWVVDYNIYOIGNX-LBPRGKRZSA-N 1 2 380.286 2.310 20 0 GEADLO CN(CC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)C(=O)c1ccc(Br)o1 ZINC000557489331 532366549 /nfs/dbraw/zinc/36/65/49/532366549.db2.gz RCFJKURHLXBPKC-CQSZACIVSA-N 1 2 395.257 2.115 20 0 GEADLO CS(=O)(=O)NCC[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000463189472 532368372 /nfs/dbraw/zinc/36/83/72/532368372.db2.gz ALUFFUMMUAVICV-QFIPXVFZSA-N 1 2 399.365 2.115 20 0 GEADLO CS(=O)(=O)NCC[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000463189472 532368376 /nfs/dbraw/zinc/36/83/76/532368376.db2.gz ALUFFUMMUAVICV-QFIPXVFZSA-N 1 2 399.365 2.115 20 0 GEADLO O=S(=O)(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)c(F)cc1F ZINC000677238894 532369334 /nfs/dbraw/zinc/36/93/34/532369334.db2.gz HSMXNJDYUHFGDE-QMMMGPOBSA-N 1 2 381.242 2.242 20 0 GEADLO O=S(=O)(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)c(F)cc1F ZINC000677238894 532369342 /nfs/dbraw/zinc/36/93/42/532369342.db2.gz HSMXNJDYUHFGDE-QMMMGPOBSA-N 1 2 381.242 2.242 20 0 GEADLO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000677600846 532379034 /nfs/dbraw/zinc/37/90/34/532379034.db2.gz MABQGHCRRNXINW-OAHLLOKOSA-N 1 2 379.309 2.230 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCSCC2)[C@H]1c1ccc(Cl)cc1 ZINC000558018583 532379955 /nfs/dbraw/zinc/37/99/55/532379955.db2.gz AWZLWNIAIGOMSB-JKSUJKDBSA-N 1 2 381.929 2.167 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCSCC2)[C@H]1c1ccc(Cl)cc1 ZINC000558018583 532379959 /nfs/dbraw/zinc/37/99/59/532379959.db2.gz AWZLWNIAIGOMSB-JKSUJKDBSA-N 1 2 381.929 2.167 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000278415251 532380289 /nfs/dbraw/zinc/38/02/89/532380289.db2.gz YODZKNUIVCFVGV-WFASDCNBSA-N 1 2 388.295 2.487 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000278415251 532380291 /nfs/dbraw/zinc/38/02/91/532380291.db2.gz YODZKNUIVCFVGV-WFASDCNBSA-N 1 2 388.295 2.487 20 0 GEADLO O=C([C@H]1[C@@H]2COC[C@@H]21)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000622886386 532380645 /nfs/dbraw/zinc/38/06/45/532380645.db2.gz PAFRAIRXECPUIN-FOLVSLTJSA-N 1 2 391.269 2.356 20 0 GEADLO O=C(c1cccc(Cl)c1)N1CCC[N@H+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000677679761 532381526 /nfs/dbraw/zinc/38/15/26/532381526.db2.gz XHNXSVKUCUMYFH-HNNXBMFYSA-N 1 2 384.929 2.313 20 0 GEADLO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000677679761 532381533 /nfs/dbraw/zinc/38/15/33/532381533.db2.gz XHNXSVKUCUMYFH-HNNXBMFYSA-N 1 2 384.929 2.313 20 0 GEADLO Cc1cc(Br)cc(C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)c1 ZINC000463767114 532381959 /nfs/dbraw/zinc/38/19/59/532381959.db2.gz GYHFXUMEJAVOTG-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO Cn1cc[nH+]c1CN1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000463781493 532382004 /nfs/dbraw/zinc/38/20/04/532382004.db2.gz IXUTZCAGHWGOMS-UHFFFAOYSA-N 1 2 383.279 2.450 20 0 GEADLO CNC(=O)Cc1nc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cs1 ZINC000516189660 532382835 /nfs/dbraw/zinc/38/28/35/532382835.db2.gz DGGZCSRIBIBCAQ-DZGCQCFKSA-N 1 2 377.535 2.432 20 0 GEADLO CNC(=O)Cc1nc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cs1 ZINC000516189660 532382837 /nfs/dbraw/zinc/38/28/37/532382837.db2.gz DGGZCSRIBIBCAQ-DZGCQCFKSA-N 1 2 377.535 2.432 20 0 GEADLO O=C(C[NH+]1CCC(N2C(=O)CCCC2=O)CC1)NCc1ccc(Cl)s1 ZINC000372316748 532383531 /nfs/dbraw/zinc/38/35/31/532383531.db2.gz SKCNLNKOLYIMCX-UHFFFAOYSA-N 1 2 383.901 2.021 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNC(=O)N(C)CCn1cc(Br)cn1 ZINC000558058532 532384058 /nfs/dbraw/zinc/38/40/58/532384058.db2.gz ZOYBDBLXVUKIQA-UHFFFAOYSA-N 1 2 383.294 2.340 20 0 GEADLO Cc1occc1C(=O)NC1CC[NH+](Cc2c(Br)cnn2C)CC1 ZINC000278512231 532384446 /nfs/dbraw/zinc/38/44/46/532384446.db2.gz WUXWGKASFRXIIL-UHFFFAOYSA-N 1 2 381.274 2.478 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CCc2c1cccc2C(F)(F)F ZINC000463871046 532385118 /nfs/dbraw/zinc/38/51/18/532385118.db2.gz PFXXIFOYGGIDRL-UHFFFAOYSA-N 1 2 378.416 2.120 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000463869282 532385437 /nfs/dbraw/zinc/38/54/37/532385437.db2.gz ZQOMYTYVAMELRY-UHFFFAOYSA-N 1 2 393.336 2.404 20 0 GEADLO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302062 532385546 /nfs/dbraw/zinc/38/55/46/532385546.db2.gz ZHTQZDBWCZLKEA-AWEZNQCLSA-N 1 2 381.885 2.222 20 0 GEADLO O=C(Nc1ccc(Br)cn1)C1CC[NH+](Cc2ncccn2)CC1 ZINC000192087778 532385798 /nfs/dbraw/zinc/38/57/98/532385798.db2.gz CGQBTDRISQADJX-UHFFFAOYSA-N 1 2 376.258 2.485 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)C[C@H]2COc3ccccc3O2)s1 ZINC000425386672 532385881 /nfs/dbraw/zinc/38/58/81/532385881.db2.gz SGCPYTNMZZNERW-ZDUSSCGKSA-N 1 2 382.507 2.270 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)s1 ZINC000425386672 532385885 /nfs/dbraw/zinc/38/58/85/532385885.db2.gz SGCPYTNMZZNERW-ZDUSSCGKSA-N 1 2 382.507 2.270 20 0 GEADLO COc1cc(Br)c(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1OC ZINC000623300735 532385958 /nfs/dbraw/zinc/38/59/58/532385958.db2.gz YVQUGDRGDMZMBB-SNVBAGLBSA-N 1 2 380.242 2.408 20 0 GEADLO Cn1nc(Br)cc1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000192125029 532386663 /nfs/dbraw/zinc/38/66/63/532386663.db2.gz MNCYIMGPKFHZKB-LBPRGKRZSA-N 1 2 387.228 2.494 20 0 GEADLO CCS(=O)(=O)N1CC[N@H+](Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000558135239 532386883 /nfs/dbraw/zinc/38/68/83/532386883.db2.gz ZRLCCMWUAWLWFN-CYBMUJFWSA-N 1 2 380.432 2.484 20 0 GEADLO CCS(=O)(=O)N1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC000558135239 532386889 /nfs/dbraw/zinc/38/68/89/532386889.db2.gz ZRLCCMWUAWLWFN-CYBMUJFWSA-N 1 2 380.432 2.484 20 0 GEADLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)CSCC(F)(F)F)CC2)no1 ZINC000372535750 532395674 /nfs/dbraw/zinc/39/56/74/532395674.db2.gz XTGANKUENHVSGP-LBPRGKRZSA-N 1 2 380.436 2.486 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2nc(-c3ccsc3)no2)C1)C1CC1 ZINC000558174464 532388794 /nfs/dbraw/zinc/38/87/94/532388794.db2.gz PWVUJVQHOYVQBZ-LBPRGKRZSA-N 1 2 382.511 2.092 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)C1)C1CC1 ZINC000558174464 532388797 /nfs/dbraw/zinc/38/87/97/532388797.db2.gz PWVUJVQHOYVQBZ-LBPRGKRZSA-N 1 2 382.511 2.092 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@@H+]1CC(C)(C)O ZINC000294904706 532389190 /nfs/dbraw/zinc/38/91/90/532389190.db2.gz AWUNLUWRHBRUPY-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@H+]1CC(C)(C)O ZINC000294904706 532389193 /nfs/dbraw/zinc/38/91/93/532389193.db2.gz AWUNLUWRHBRUPY-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)CSCC(F)(F)F)CC2)no1 ZINC000372535750 532395680 /nfs/dbraw/zinc/39/56/80/532395680.db2.gz XTGANKUENHVSGP-LBPRGKRZSA-N 1 2 380.436 2.486 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000372405313 532390353 /nfs/dbraw/zinc/39/03/53/532390353.db2.gz TWYFVGOVMLSHIQ-CQSZACIVSA-N 1 2 385.921 2.179 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000372405313 532390355 /nfs/dbraw/zinc/39/03/55/532390355.db2.gz TWYFVGOVMLSHIQ-CQSZACIVSA-N 1 2 385.921 2.179 20 0 GEADLO Clc1cscc1CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000678272475 532391161 /nfs/dbraw/zinc/39/11/61/532391161.db2.gz GGKBSQKOBKPHEB-UHFFFAOYSA-N 1 2 379.917 2.350 20 0 GEADLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(NS(C)(=O)=O)c1 ZINC000678276227 532391572 /nfs/dbraw/zinc/39/15/72/532391572.db2.gz BNCVORBCGLBVJJ-UHFFFAOYSA-N 1 2 382.507 2.094 20 0 GEADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(NS(C)(=O)=O)c1 ZINC000678276227 532391578 /nfs/dbraw/zinc/39/15/78/532391578.db2.gz BNCVORBCGLBVJJ-UHFFFAOYSA-N 1 2 382.507 2.094 20 0 GEADLO NC(=O)c1csc(C[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000678260190 532391670 /nfs/dbraw/zinc/39/16/70/532391670.db2.gz AOOVFNABRFCPRC-QGZVFWFLSA-N 1 2 379.913 2.352 20 0 GEADLO NC(=O)c1csc(CN2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000678260190 532391681 /nfs/dbraw/zinc/39/16/81/532391681.db2.gz AOOVFNABRFCPRC-QGZVFWFLSA-N 1 2 379.913 2.352 20 0 GEADLO C[N@@H+]1CC[C@@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279251804 532392115 /nfs/dbraw/zinc/39/21/15/532392115.db2.gz ADRHWEQYQOSSCT-SWLSCSKDSA-N 1 2 388.892 2.165 20 0 GEADLO C[N@H+]1CC[C@@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279251804 532392117 /nfs/dbraw/zinc/39/21/17/532392117.db2.gz ADRHWEQYQOSSCT-SWLSCSKDSA-N 1 2 388.892 2.165 20 0 GEADLO COCCC[N@H+](Cc1cccc(C(=O)OC)c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000294951307 532392243 /nfs/dbraw/zinc/39/22/43/532392243.db2.gz MNYXCRBMIAEBSM-AWEZNQCLSA-N 1 2 389.901 2.152 20 0 GEADLO COCCC[N@@H+](Cc1cccc(C(=O)OC)c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000294951307 532392250 /nfs/dbraw/zinc/39/22/50/532392250.db2.gz MNYXCRBMIAEBSM-AWEZNQCLSA-N 1 2 389.901 2.152 20 0 GEADLO COCC[C@H](C)S(=O)(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000464220764 532393699 /nfs/dbraw/zinc/39/36/99/532393699.db2.gz XHLORSQXCSVCIR-NSHDSACASA-N 1 2 390.303 2.250 20 0 GEADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000591019793 532396147 /nfs/dbraw/zinc/39/61/47/532396147.db2.gz DCCOLWRXTFMEAE-CQSZACIVSA-N 1 2 387.274 2.288 20 0 GEADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000591019793 532396151 /nfs/dbraw/zinc/39/61/51/532396151.db2.gz DCCOLWRXTFMEAE-CQSZACIVSA-N 1 2 387.274 2.288 20 0 GEADLO Cn1ncc2c1nc(N1CCc3c(F)ccc(Br)c3C1)[nH+]c2N ZINC000295018326 532397377 /nfs/dbraw/zinc/39/73/77/532397377.db2.gz UOJRTZHABASTPV-UHFFFAOYSA-N 1 2 377.221 2.410 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)Cc2ccc(C(F)F)cc2)C[C@H](C)O1 ZINC000559075135 532400453 /nfs/dbraw/zinc/40/04/53/532400453.db2.gz LKWFCLJMKYMKJK-OKILXGFUSA-N 1 2 376.469 2.495 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)Cc2ccc(C(F)F)cc2)C[C@H](C)O1 ZINC000559075135 532400457 /nfs/dbraw/zinc/40/04/57/532400457.db2.gz LKWFCLJMKYMKJK-OKILXGFUSA-N 1 2 376.469 2.495 20 0 GEADLO COC(=O)CC[N@H+](Cc1cccc(Br)c1)Cc1nccc(N)n1 ZINC000192331095 532402425 /nfs/dbraw/zinc/40/24/25/532402425.db2.gz MDZNPJXCIRHSTH-UHFFFAOYSA-N 1 2 379.258 2.387 20 0 GEADLO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)Cc1nccc(N)n1 ZINC000192331095 532402431 /nfs/dbraw/zinc/40/24/31/532402431.db2.gz MDZNPJXCIRHSTH-UHFFFAOYSA-N 1 2 379.258 2.387 20 0 GEADLO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000591228596 532403709 /nfs/dbraw/zinc/40/37/09/532403709.db2.gz OKGIPZIXYLTHMA-RYUDHWBXSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000591228596 532403712 /nfs/dbraw/zinc/40/37/12/532403712.db2.gz OKGIPZIXYLTHMA-RYUDHWBXSA-N 1 2 389.265 2.192 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000679439629 532404358 /nfs/dbraw/zinc/40/43/58/532404358.db2.gz DUCPXGWDOYKOTM-CQSZACIVSA-N 1 2 379.309 2.230 20 0 GEADLO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000464770408 532404872 /nfs/dbraw/zinc/40/48/72/532404872.db2.gz KERYCGUPFWUART-GVDBMIGSSA-N 1 2 390.615 2.264 20 0 GEADLO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000464770408 532404877 /nfs/dbraw/zinc/40/48/77/532404877.db2.gz KERYCGUPFWUART-GVDBMIGSSA-N 1 2 390.615 2.264 20 0 GEADLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CC[S@](=O)c2ccccc2)cc1 ZINC000464797644 532405502 /nfs/dbraw/zinc/40/55/02/532405502.db2.gz ZZSPGYMQUMWLRD-DEOSSOPVSA-N 1 2 380.535 2.013 20 0 GEADLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)CC[S@](=O)c2ccccc2)cc1 ZINC000464797644 532405505 /nfs/dbraw/zinc/40/55/05/532405505.db2.gz ZZSPGYMQUMWLRD-DEOSSOPVSA-N 1 2 380.535 2.013 20 0 GEADLO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000517114419 532406761 /nfs/dbraw/zinc/40/67/61/532406761.db2.gz NIOOKPYPZUSIRW-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000517114419 532406764 /nfs/dbraw/zinc/40/67/64/532406764.db2.gz NIOOKPYPZUSIRW-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280069718 532407931 /nfs/dbraw/zinc/40/79/31/532407931.db2.gz KYIKXURIKGUNHG-FWOIEVBISA-N 1 2 381.203 2.215 20 0 GEADLO C[C@]1(C(N)=O)CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000280243955 532409683 /nfs/dbraw/zinc/40/96/83/532409683.db2.gz ZZLPLPIKRRYIKC-QAPCUYQASA-N 1 2 394.313 2.310 20 0 GEADLO Cc1cccc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1Br ZINC000427046063 532410208 /nfs/dbraw/zinc/41/02/08/532410208.db2.gz OAESNQZALKVMMV-NSHDSACASA-N 1 2 377.242 2.024 20 0 GEADLO C[C@@H]1C[C@@H]1CNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000591433174 532411449 /nfs/dbraw/zinc/41/14/49/532411449.db2.gz MOEKFOFKKHHRLJ-UKRRQHHQSA-N 1 2 398.320 2.478 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1c(F)cccc1Cl ZINC000372808367 532411931 /nfs/dbraw/zinc/41/19/31/532411931.db2.gz XOWLZOFBMNFCSI-WFASDCNBSA-N 1 2 376.881 2.258 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cn1 ZINC000517313524 532413580 /nfs/dbraw/zinc/41/35/80/532413580.db2.gz TUTRESZFAYAQLY-UHFFFAOYSA-N 1 2 383.279 2.450 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000591573191 532415193 /nfs/dbraw/zinc/41/51/93/532415193.db2.gz JUAJWHZDHSNEFY-WFASDCNBSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000591573191 532415196 /nfs/dbraw/zinc/41/51/96/532415196.db2.gz JUAJWHZDHSNEFY-WFASDCNBSA-N 1 2 398.301 2.293 20 0 GEADLO COc1c(Br)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1Br ZINC000680481721 532415315 /nfs/dbraw/zinc/41/53/15/532415315.db2.gz TZXXAMNMQFMJHV-ZJUUUORDSA-N 1 2 395.091 2.148 20 0 GEADLO COc1c(Br)cc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1Br ZINC000680481721 532415319 /nfs/dbraw/zinc/41/53/19/532415319.db2.gz TZXXAMNMQFMJHV-ZJUUUORDSA-N 1 2 395.091 2.148 20 0 GEADLO CCn1cc[nH+]c1CNS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000295201647 532417880 /nfs/dbraw/zinc/41/78/80/532417880.db2.gz CBYJRLVQRKPPKU-UHFFFAOYSA-N 1 2 392.250 2.292 20 0 GEADLO C[C@@H](NC(=O)C[NH2+]C1(c2ccccc2Br)CCC1)C(=O)N(C)C ZINC000649646553 532419169 /nfs/dbraw/zinc/41/91/69/532419169.db2.gz IMCAJUYLCZFTGY-GFCCVEGCSA-N 1 2 382.302 2.011 20 0 GEADLO C[C@H](NC(=O)C[NH2+]C1(c2ccccc2Br)CCC1)C(=O)N(C)C ZINC000649646554 532419581 /nfs/dbraw/zinc/41/95/81/532419581.db2.gz IMCAJUYLCZFTGY-LBPRGKRZSA-N 1 2 382.302 2.011 20 0 GEADLO CN(C)C(=O)c1cccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000591688791 532420248 /nfs/dbraw/zinc/42/02/48/532420248.db2.gz RFLDKKVLZJYABD-INIZCTEOSA-N 1 2 390.281 2.467 20 0 GEADLO COC[C@@H]1C[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@@H](C)O1 ZINC000625361283 532420407 /nfs/dbraw/zinc/42/04/07/532420407.db2.gz XKISIXAIVXOBQB-DIOULYMOSA-N 1 2 383.286 2.438 20 0 GEADLO COC[C@@H]1C[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@@H](C)O1 ZINC000625361283 532420413 /nfs/dbraw/zinc/42/04/13/532420413.db2.gz XKISIXAIVXOBQB-DIOULYMOSA-N 1 2 383.286 2.438 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000681158279 532422487 /nfs/dbraw/zinc/42/24/87/532422487.db2.gz WBHLTFXTKOTPAL-UHFFFAOYSA-N 1 2 389.949 2.043 20 0 GEADLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000295219098 532421476 /nfs/dbraw/zinc/42/14/76/532421476.db2.gz QTJALTGXEDQQPJ-UHFFFAOYSA-N 1 2 380.367 2.403 20 0 GEADLO CCN(C(=O)C[N@H+](C)[C@@H](C)CSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000649664711 532421486 /nfs/dbraw/zinc/42/14/86/532421486.db2.gz PRBPQUFFHPPZHF-JKSUJKDBSA-N 1 2 384.567 2.135 20 0 GEADLO CCN(C(=O)C[N@@H+](C)[C@@H](C)CSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000649664711 532421491 /nfs/dbraw/zinc/42/14/91/532421491.db2.gz PRBPQUFFHPPZHF-JKSUJKDBSA-N 1 2 384.567 2.135 20 0 GEADLO O=S(=O)(Nc1cnn(C2CC[NH+](C[C@H]3CCC=CO3)CC2)c1)C(F)F ZINC000373058379 532428439 /nfs/dbraw/zinc/42/84/39/532428439.db2.gz QZUGSFDCKHNZEX-CQSZACIVSA-N 1 2 376.429 2.177 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)C[C@@H]1C ZINC000649868193 532428659 /nfs/dbraw/zinc/42/86/59/532428659.db2.gz FUMXVUASXKJUML-NSHDSACASA-N 1 2 379.295 2.444 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)C[C@@H]1C ZINC000649868193 532428669 /nfs/dbraw/zinc/42/86/69/532428669.db2.gz FUMXVUASXKJUML-NSHDSACASA-N 1 2 379.295 2.444 20 0 GEADLO NC(=O)CCCCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561046397 532426964 /nfs/dbraw/zinc/42/69/64/532426964.db2.gz FLQCTCVCBCMPAQ-UHFFFAOYSA-N 1 2 397.273 2.313 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@H](Nc2ncc(Br)cc2F)C1=O ZINC000681393774 532429167 /nfs/dbraw/zinc/42/91/67/532429167.db2.gz FBFKDJMURFKEPH-LBPRGKRZSA-N 1 2 382.237 2.320 20 0 GEADLO CC1(C)C[N@H+](C[C@H](O)COc2ccc(Br)cc2)[C@@H]2COC[C@H]2O1 ZINC000649909302 532430957 /nfs/dbraw/zinc/43/09/57/532430957.db2.gz HJBJFFAKGJXVRL-NUEKZKHPSA-N 1 2 386.286 2.067 20 0 GEADLO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)[C@@H]2COC[C@H]2O1 ZINC000649909302 532430965 /nfs/dbraw/zinc/43/09/65/532430965.db2.gz HJBJFFAKGJXVRL-NUEKZKHPSA-N 1 2 386.286 2.067 20 0 GEADLO CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000626159345 532435401 /nfs/dbraw/zinc/43/54/01/532435401.db2.gz LHWKVGCQPBBXJD-CYBMUJFWSA-N 1 2 393.285 2.499 20 0 GEADLO CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000626159345 532435407 /nfs/dbraw/zinc/43/54/07/532435407.db2.gz LHWKVGCQPBBXJD-CYBMUJFWSA-N 1 2 393.285 2.499 20 0 GEADLO C[C@@](O)(C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1)C(F)(F)F ZINC000281817355 532436032 /nfs/dbraw/zinc/43/60/32/532436032.db2.gz JWLPJUHFHVXRDJ-OAHLLOKOSA-N 1 2 379.810 2.209 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000626167106 532436390 /nfs/dbraw/zinc/43/63/90/532436390.db2.gz OBKWEMQULSVPBT-AWEZNQCLSA-N 1 2 382.917 2.287 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000626167106 532436395 /nfs/dbraw/zinc/43/63/95/532436395.db2.gz OBKWEMQULSVPBT-AWEZNQCLSA-N 1 2 382.917 2.287 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(Br)cc1)C2 ZINC000517975959 532432426 /nfs/dbraw/zinc/43/24/26/532432426.db2.gz IBQLZCMFQFKHEB-AWEZNQCLSA-N 1 2 378.270 2.234 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000466735828 532433852 /nfs/dbraw/zinc/43/38/52/532433852.db2.gz MYHRFCXHBREKLP-LEWSCRJBSA-N 1 2 386.233 2.481 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000466735828 532433856 /nfs/dbraw/zinc/43/38/56/532433856.db2.gz MYHRFCXHBREKLP-LEWSCRJBSA-N 1 2 386.233 2.481 20 0 GEADLO C[C@H](C(=O)Nc1ncccn1)[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295328729 532433974 /nfs/dbraw/zinc/43/39/74/532433974.db2.gz MOXQCSKIIMRAEQ-BXUZGUMPSA-N 1 2 379.258 2.232 20 0 GEADLO C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295328729 532433977 /nfs/dbraw/zinc/43/39/77/532433977.db2.gz MOXQCSKIIMRAEQ-BXUZGUMPSA-N 1 2 379.258 2.232 20 0 GEADLO C[C@H]1C[N@@H+](C2CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)CCO1 ZINC000193928331 532437649 /nfs/dbraw/zinc/43/76/49/532437649.db2.gz SACDCROTQWSICB-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@H]1C[N@H+](C2CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)CCO1 ZINC000193928331 532437653 /nfs/dbraw/zinc/43/76/53/532437653.db2.gz SACDCROTQWSICB-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000295364881 532438838 /nfs/dbraw/zinc/43/88/38/532438838.db2.gz OWRDPOVDYZHJNW-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H]1[C@H](C)N(C(=O)CS(=O)(=O)Cc2ccc(Cl)s2)[C@@H](C)C[N@@H+]1C ZINC000650146851 532438917 /nfs/dbraw/zinc/43/89/17/532438917.db2.gz JTDIPWPMQDDOQE-TUAOUCFPSA-N 1 2 378.947 2.256 20 0 GEADLO C[C@@H]1[C@H](C)N(C(=O)CS(=O)(=O)Cc2ccc(Cl)s2)[C@@H](C)C[N@H+]1C ZINC000650146851 532438927 /nfs/dbraw/zinc/43/89/27/532438927.db2.gz JTDIPWPMQDDOQE-TUAOUCFPSA-N 1 2 378.947 2.256 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000518583575 532443095 /nfs/dbraw/zinc/44/30/95/532443095.db2.gz OWRIGVJLZXEAJE-AWEZNQCLSA-N 1 2 384.889 2.294 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000518583575 532443101 /nfs/dbraw/zinc/44/31/01/532443101.db2.gz OWRIGVJLZXEAJE-AWEZNQCLSA-N 1 2 384.889 2.294 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000373344492 532444059 /nfs/dbraw/zinc/44/40/59/532444059.db2.gz AYNSOPHQTNEBRJ-KRWDZBQOSA-N 1 2 380.901 2.182 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000373344492 532444064 /nfs/dbraw/zinc/44/40/64/532444064.db2.gz AYNSOPHQTNEBRJ-KRWDZBQOSA-N 1 2 380.901 2.182 20 0 GEADLO CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc[nH+]c(C)c1Br ZINC000682157971 532441685 /nfs/dbraw/zinc/44/16/85/532441685.db2.gz ACTLBVCBMMSMFI-UHFFFAOYSA-N 1 2 387.303 2.234 20 0 GEADLO C[C@@](O)(C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1)C(F)(F)F ZINC000282063667 532442042 /nfs/dbraw/zinc/44/20/42/532442042.db2.gz SITMWVHPSBJRJY-CQSZACIVSA-N 1 2 376.404 2.229 20 0 GEADLO CCn1cc[nH+]c1CNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000295480266 532452085 /nfs/dbraw/zinc/45/20/85/532452085.db2.gz MNUNNKNFPBWMCX-UHFFFAOYSA-N 1 2 379.667 2.192 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000282244757 532450900 /nfs/dbraw/zinc/45/09/00/532450900.db2.gz NYJJOYSHLYNISA-LLVKDONJSA-N 1 2 381.274 2.118 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)NCCOc1ccc(Cl)cc1 ZINC000561738085 532451049 /nfs/dbraw/zinc/45/10/49/532451049.db2.gz AAMQHRVEIISYFT-ZFWWWQNUSA-N 1 2 380.794 2.223 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)NCCOc1ccc(Cl)cc1 ZINC000561738085 532451056 /nfs/dbraw/zinc/45/10/56/532451056.db2.gz AAMQHRVEIISYFT-ZFWWWQNUSA-N 1 2 380.794 2.223 20 0 GEADLO OC[C@@H]1CC[N@H+](Cc2ccc(I)cc2Cl)C[C@@H]1O ZINC000561783401 532451494 /nfs/dbraw/zinc/45/14/94/532451494.db2.gz VIEJSXOLXSILBM-GWCFXTLKSA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@@H]1CC[N@@H+](Cc2ccc(I)cc2Cl)C[C@@H]1O ZINC000561783401 532451498 /nfs/dbraw/zinc/45/14/98/532451498.db2.gz VIEJSXOLXSILBM-GWCFXTLKSA-N 1 2 381.641 2.120 20 0 GEADLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000295504494 532453872 /nfs/dbraw/zinc/45/38/72/532453872.db2.gz HLYAEGZHMNPKSO-RUZDIDTESA-N 1 2 378.416 2.377 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000373525257 532455150 /nfs/dbraw/zinc/45/51/50/532455150.db2.gz YQMHRHXAZYIDJZ-UONOGXRCSA-N 1 2 386.901 2.074 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000373525257 532455153 /nfs/dbraw/zinc/45/51/53/532455153.db2.gz YQMHRHXAZYIDJZ-UONOGXRCSA-N 1 2 386.901 2.074 20 0 GEADLO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1 ZINC000428633794 532455804 /nfs/dbraw/zinc/45/58/04/532455804.db2.gz XKOPYXYVKZWJRB-ZDUSSCGKSA-N 1 2 379.507 2.360 20 0 GEADLO CN(C)c1ncnc(Cl)c1C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000282345079 532457802 /nfs/dbraw/zinc/45/78/02/532457802.db2.gz ACJFJXQLKSUQQQ-UHFFFAOYSA-N 1 2 379.814 2.087 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cccc2nsnc21)[N@@H+]1CCc2sccc2C1 ZINC000519164357 532458412 /nfs/dbraw/zinc/45/84/12/532458412.db2.gz KBPFCDVMXGJQAF-NSHDSACASA-N 1 2 394.547 2.478 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cccc2nsnc21)[N@H+]1CCc2sccc2C1 ZINC000519164357 532458415 /nfs/dbraw/zinc/45/84/15/532458415.db2.gz KBPFCDVMXGJQAF-NSHDSACASA-N 1 2 394.547 2.478 20 0 GEADLO C[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428783168 532460590 /nfs/dbraw/zinc/46/05/90/532460590.db2.gz MOKJTINMHYLLRM-IPQOISQHSA-N 1 2 399.365 2.067 20 0 GEADLO C[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428783168 532460598 /nfs/dbraw/zinc/46/05/98/532460598.db2.gz MOKJTINMHYLLRM-IPQOISQHSA-N 1 2 399.365 2.067 20 0 GEADLO COc1cc(CNC(=O)NCCn2cc[nH+]c2)cc(Br)c1OC ZINC000194853269 532461558 /nfs/dbraw/zinc/46/15/58/532461558.db2.gz ZJFFUJJADDKCSO-UHFFFAOYSA-N 1 2 383.246 2.162 20 0 GEADLO CCn1cc[nH+]c1CNS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000295598922 532461840 /nfs/dbraw/zinc/46/18/40/532461840.db2.gz XBLIXMBXNGUAIS-UHFFFAOYSA-N 1 2 388.287 2.461 20 0 GEADLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000428833217 532463994 /nfs/dbraw/zinc/46/39/94/532463994.db2.gz IXWQAZAKFYHYJF-UONOGXRCSA-N 1 2 384.464 2.077 20 0 GEADLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000428833217 532463998 /nfs/dbraw/zinc/46/39/98/532463998.db2.gz IXWQAZAKFYHYJF-UONOGXRCSA-N 1 2 384.464 2.077 20 0 GEADLO C[N@H+](Cc1ncc(Br)cc1Br)[C@]1(CO)CCOC1 ZINC000628367553 532465346 /nfs/dbraw/zinc/46/53/46/532465346.db2.gz FCSFVTLHXSEUTI-LBPRGKRZSA-N 1 2 380.080 2.190 20 0 GEADLO C[N@@H+](Cc1ncc(Br)cc1Br)[C@]1(CO)CCOC1 ZINC000628367553 532465353 /nfs/dbraw/zinc/46/53/53/532465353.db2.gz FCSFVTLHXSEUTI-LBPRGKRZSA-N 1 2 380.080 2.190 20 0 GEADLO CO[C@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1)C(F)(F)F ZINC000651327988 532465667 /nfs/dbraw/zinc/46/56/67/532465667.db2.gz NVJLPWDMNWMXBD-GXTWGEPZSA-N 1 2 379.448 2.120 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2sc3ncccc3c2Cl)CC1 ZINC000628011061 532462962 /nfs/dbraw/zinc/46/29/62/532462962.db2.gz OPHLYLMVKXFUHV-UHFFFAOYSA-N 1 2 383.901 2.371 20 0 GEADLO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000468327967 532463219 /nfs/dbraw/zinc/46/32/19/532463219.db2.gz HVEOLPUCXUHZGT-OCCSQVGLSA-N 1 2 399.333 2.064 20 0 GEADLO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000468327967 532463226 /nfs/dbraw/zinc/46/32/26/532463226.db2.gz HVEOLPUCXUHZGT-OCCSQVGLSA-N 1 2 399.333 2.064 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000683948471 532468701 /nfs/dbraw/zinc/46/87/01/532468701.db2.gz JYRVMXPOFDISBO-BETUJISGSA-N 1 2 376.906 2.078 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000683948471 532468710 /nfs/dbraw/zinc/46/87/10/532468710.db2.gz JYRVMXPOFDISBO-BETUJISGSA-N 1 2 376.906 2.078 20 0 GEADLO CO[C@H](C)CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000195243174 532472975 /nfs/dbraw/zinc/47/29/75/532472975.db2.gz IBRZNRGJXNXEPH-DOMZBBRYSA-N 1 2 378.897 2.398 20 0 GEADLO CO[C@H](C)CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000195243174 532472980 /nfs/dbraw/zinc/47/29/80/532472980.db2.gz IBRZNRGJXNXEPH-DOMZBBRYSA-N 1 2 378.897 2.398 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000373896078 532476819 /nfs/dbraw/zinc/47/68/19/532476819.db2.gz PWVFHPYPQSBBDU-NSHDSACASA-N 1 2 394.273 2.293 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000282557941 532476803 /nfs/dbraw/zinc/47/68/03/532476803.db2.gz SJTNWPVFAUUYMO-LBPRGKRZSA-N 1 2 390.531 2.004 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000282557941 532476808 /nfs/dbraw/zinc/47/68/08/532476808.db2.gz SJTNWPVFAUUYMO-LBPRGKRZSA-N 1 2 390.531 2.004 20 0 GEADLO Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)nn1-c1ccc(Br)cc1 ZINC000628920363 532477132 /nfs/dbraw/zinc/47/71/32/532477132.db2.gz VWWCRJUGOFCTKK-OAHLLOKOSA-N 1 2 393.285 2.004 20 0 GEADLO Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)nn1-c1ccc(Br)cc1 ZINC000628920363 532477136 /nfs/dbraw/zinc/47/71/36/532477136.db2.gz VWWCRJUGOFCTKK-OAHLLOKOSA-N 1 2 393.285 2.004 20 0 GEADLO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1 ZINC000429449689 532477296 /nfs/dbraw/zinc/47/72/96/532477296.db2.gz HZPVHYCVROKQPJ-ZDUSSCGKSA-N 1 2 379.507 2.230 20 0 GEADLO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cc[nH]c(=O)c1Br ZINC000468871235 532478538 /nfs/dbraw/zinc/47/85/38/532478538.db2.gz GCLBXOGGFYKGRQ-UHFFFAOYSA-N 1 2 379.136 2.239 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000519832347 532479530 /nfs/dbraw/zinc/47/95/30/532479530.db2.gz HFGDPSBJMANHDW-KBPBESRZSA-N 1 2 378.416 2.002 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)CC1 ZINC000651582778 532479873 /nfs/dbraw/zinc/47/98/73/532479873.db2.gz IVWYJEOCPXIXKG-NSHDSACASA-N 1 2 387.354 2.273 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)cc1Cl)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000562732954 532480616 /nfs/dbraw/zinc/48/06/16/532480616.db2.gz NHCJTCIUTMVPNA-OKILXGFUSA-N 1 2 379.309 2.276 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)cc1Cl)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000562732954 532480621 /nfs/dbraw/zinc/48/06/21/532480621.db2.gz NHCJTCIUTMVPNA-OKILXGFUSA-N 1 2 379.309 2.276 20 0 GEADLO O=C(N[C@@H](CCO)c1ccccc1Br)[C@H]1CCc2c[nH+]cn2C1 ZINC000519823695 532480708 /nfs/dbraw/zinc/48/07/08/532480708.db2.gz NAAMWBJPTJLMIP-LRDDRELGSA-N 1 2 378.270 2.448 20 0 GEADLO O=C(N1CCC[C@H]1C[NH+]1CCOCC1)C1(c2cncc(Br)c2)CC1 ZINC000282633378 532483318 /nfs/dbraw/zinc/48/33/18/532483318.db2.gz GHYWVFRRLGBWMT-INIZCTEOSA-N 1 2 394.313 2.199 20 0 GEADLO O=C1[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C[C@@H]2CCCCN12 ZINC000562805192 532483721 /nfs/dbraw/zinc/48/37/21/532483721.db2.gz NXVHCCDNHGUCST-DZGCQCFKSA-N 1 2 390.285 2.273 20 0 GEADLO CN(C)c1[nH+]cccc1NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000520147954 532485010 /nfs/dbraw/zinc/48/50/10/532485010.db2.gz UXHNTNUJUQOGIW-UHFFFAOYSA-N 1 2 382.873 2.108 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000282695142 532489021 /nfs/dbraw/zinc/48/90/21/532489021.db2.gz XKTLAWJMIXPKSK-IUODEOHRSA-N 1 2 398.301 2.293 20 0 GEADLO Cn1cc(Cl)c(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)n1 ZINC000562998401 532492129 /nfs/dbraw/zinc/49/21/29/532492129.db2.gz HRYBHKLBUCVELW-UHFFFAOYSA-N 1 2 392.706 2.400 20 0 GEADLO O[C@H](COC1CCOCC1)C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000282754210 532493237 /nfs/dbraw/zinc/49/32/37/532493237.db2.gz KJYNOSRNRTVKRE-HNNXBMFYSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@H](COC1CCOCC1)C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000282754210 532493242 /nfs/dbraw/zinc/49/32/42/532493242.db2.gz KJYNOSRNRTVKRE-HNNXBMFYSA-N 1 2 386.286 2.200 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000469166236 532494079 /nfs/dbraw/zinc/49/40/79/532494079.db2.gz YLFPUBOXAPTTKH-MJBXVCDLSA-N 1 2 390.933 2.467 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000469166236 532494083 /nfs/dbraw/zinc/49/40/83/532494083.db2.gz YLFPUBOXAPTTKH-MJBXVCDLSA-N 1 2 390.933 2.467 20 0 GEADLO COC[C@H](C)CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000685496619 532494612 /nfs/dbraw/zinc/49/46/12/532494612.db2.gz LVXVATPWJUZVKM-UONOGXRCSA-N 1 2 376.469 2.131 20 0 GEADLO COC[C@H](C)CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000685496619 532494615 /nfs/dbraw/zinc/49/46/15/532494615.db2.gz LVXVATPWJUZVKM-UONOGXRCSA-N 1 2 376.469 2.131 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CCOCC(F)(F)F ZINC000685497974 532495001 /nfs/dbraw/zinc/49/50/01/532495001.db2.gz JKGHMXQGZKGERR-AWEZNQCLSA-N 1 2 380.432 2.101 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CCOCC(F)(F)F ZINC000685497974 532495004 /nfs/dbraw/zinc/49/50/04/532495004.db2.gz JKGHMXQGZKGERR-AWEZNQCLSA-N 1 2 380.432 2.101 20 0 GEADLO C[NH2+]C1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 ZINC000429408137 532474875 /nfs/dbraw/zinc/47/48/75/532474875.db2.gz RVKGOURRSTUVTJ-UHFFFAOYSA-N 1 2 379.507 2.373 20 0 GEADLO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)NCC(F)(F)F ZINC000195323404 532475686 /nfs/dbraw/zinc/47/56/86/532475686.db2.gz JJBVGKUJHKAFIF-HNNXBMFYSA-N 1 2 379.448 2.227 20 0 GEADLO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)NCC(F)(F)F ZINC000195323404 532475691 /nfs/dbraw/zinc/47/56/91/532475691.db2.gz JJBVGKUJHKAFIF-HNNXBMFYSA-N 1 2 379.448 2.227 20 0 GEADLO COC(=O)[C@H]1CC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)[C@H]1C(C)C ZINC000429361663 532475708 /nfs/dbraw/zinc/47/57/08/532475708.db2.gz LEQJLRRPIJSPFR-SOUVJXGZSA-N 1 2 383.286 2.495 20 0 GEADLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)[C@H]1C(C)C ZINC000429361663 532475710 /nfs/dbraw/zinc/47/57/10/532475710.db2.gz LEQJLRRPIJSPFR-SOUVJXGZSA-N 1 2 383.286 2.495 20 0 GEADLO Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2C)nn1-c1ccc(Br)cc1 ZINC000628920362 532476282 /nfs/dbraw/zinc/47/62/82/532476282.db2.gz VWWCRJUGOFCTKK-HNNXBMFYSA-N 1 2 393.285 2.004 20 0 GEADLO Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)nn1-c1ccc(Br)cc1 ZINC000628920362 532476289 /nfs/dbraw/zinc/47/62/89/532476289.db2.gz VWWCRJUGOFCTKK-HNNXBMFYSA-N 1 2 393.285 2.004 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH+]1CC2(C1)CCOC2 ZINC000296200951 532505810 /nfs/dbraw/zinc/50/58/10/532505810.db2.gz ZDSQCJVPRUDOTB-LBPRGKRZSA-N 1 2 383.286 2.185 20 0 GEADLO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ncc(Br)cn1 ZINC000431100701 532506048 /nfs/dbraw/zinc/50/60/48/532506048.db2.gz VZAMPJWXUOTRPM-PSASIEDQSA-N 1 2 381.196 2.443 20 0 GEADLO C[C@@H]1C[C@@H](S(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000296214731 532507176 /nfs/dbraw/zinc/50/71/76/532507176.db2.gz MOGXVSBMCYYOJA-NJAFHUGGSA-N 1 2 384.567 2.091 20 0 GEADLO C[C@@H]1C[C@@H](S(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CCO1 ZINC000296214731 532507182 /nfs/dbraw/zinc/50/71/82/532507182.db2.gz MOGXVSBMCYYOJA-NJAFHUGGSA-N 1 2 384.567 2.091 20 0 GEADLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594462266 532507523 /nfs/dbraw/zinc/50/75/23/532507523.db2.gz BBUMBPJAVBEWJR-GFCCVEGCSA-N 1 2 392.880 2.371 20 0 GEADLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594462266 532507525 /nfs/dbraw/zinc/50/75/25/532507525.db2.gz BBUMBPJAVBEWJR-GFCCVEGCSA-N 1 2 392.880 2.371 20 0 GEADLO Cc1cccn2cc(CCNC(=O)NCc3nn(C)cc3Br)[nH+]c12 ZINC000652403402 532512047 /nfs/dbraw/zinc/51/20/47/532512047.db2.gz ZQIXLFBXDGFDRZ-UHFFFAOYSA-N 1 2 391.273 2.181 20 0 GEADLO COC(=O)c1cc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)c[nH]1 ZINC000431395170 532512113 /nfs/dbraw/zinc/51/21/13/532512113.db2.gz AKGREVYOPSAOFT-UHFFFAOYSA-N 1 2 377.198 2.142 20 0 GEADLO Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)c[nH+]1 ZINC000238007514 532515343 /nfs/dbraw/zinc/51/53/43/532515343.db2.gz DQYQWHKFYLSBJJ-SNVBAGLBSA-N 1 2 375.226 2.418 20 0 GEADLO COc1ccc(C(=O)N2CCn3cc(C)[nH+]c3C2)cc1I ZINC000374720187 532516176 /nfs/dbraw/zinc/51/61/76/532516176.db2.gz WKVYPMVJWSUYLU-UHFFFAOYSA-N 1 2 397.216 2.461 20 0 GEADLO COc1ccc(S(=O)(=O)NCc2c[nH+]ccc2OC)c(Br)c1 ZINC000431602246 532516764 /nfs/dbraw/zinc/51/67/64/532516764.db2.gz DXQBARPTWZWDFS-UHFFFAOYSA-N 1 2 387.255 2.340 20 0 GEADLO NC(=O)C[N@H+](Cc1cn(-c2ccccc2Br)nn1)C1CCCC1 ZINC000685833497 532499774 /nfs/dbraw/zinc/49/97/74/532499774.db2.gz AOBHQJPBGCVOEN-UHFFFAOYSA-N 1 2 378.274 2.260 20 0 GEADLO NC(=O)C[N@@H+](Cc1cn(-c2ccccc2Br)nn1)C1CCCC1 ZINC000685833497 532499782 /nfs/dbraw/zinc/49/97/82/532499782.db2.gz AOBHQJPBGCVOEN-UHFFFAOYSA-N 1 2 378.274 2.260 20 0 GEADLO O=C(COc1ccc(Br)cc1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374384196 532500451 /nfs/dbraw/zinc/50/04/51/532500451.db2.gz HQPSZNIILRAJDD-INIZCTEOSA-N 1 2 376.254 2.396 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282859437 532501541 /nfs/dbraw/zinc/50/15/41/532501541.db2.gz OULKBHAMWKDJFS-JQWIXIFHSA-N 1 2 396.289 2.105 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Cl)cc1F ZINC000374800790 532518767 /nfs/dbraw/zinc/51/87/67/532518767.db2.gz QANWRQYQTBJVRP-GJZGRUSLSA-N 1 2 376.881 2.007 20 0 GEADLO C[C@@H](NC(=O)Cc1csc(CCC(F)(F)F)n1)[C@@H](C)[NH+]1CCOCC1 ZINC000630936552 532535947 /nfs/dbraw/zinc/53/59/47/532535947.db2.gz VRGSSERWSBSTOX-VXGBXAGGSA-N 1 2 379.448 2.406 20 0 GEADLO CCOc1ccncc1S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000296736974 532538410 /nfs/dbraw/zinc/53/84/10/532538410.db2.gz OOFIVQROPAHPRY-UHFFFAOYSA-N 1 2 381.523 2.091 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C(=O)N(C)C ZINC000246445197 532538959 /nfs/dbraw/zinc/53/89/59/532538959.db2.gz LFOPOJQQEIHQDC-DGCLKSJQSA-N 1 2 388.295 2.039 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C(=O)N(C)C ZINC000246445197 532538961 /nfs/dbraw/zinc/53/89/61/532538961.db2.gz LFOPOJQQEIHQDC-DGCLKSJQSA-N 1 2 388.295 2.039 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C(=O)N(C)C ZINC000246445220 532539058 /nfs/dbraw/zinc/53/90/58/532539058.db2.gz LFOPOJQQEIHQDC-WCQYABFASA-N 1 2 388.295 2.039 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C(=O)N(C)C ZINC000246445220 532539064 /nfs/dbraw/zinc/53/90/64/532539064.db2.gz LFOPOJQQEIHQDC-WCQYABFASA-N 1 2 388.295 2.039 20 0 GEADLO CC(=O)Nc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)cn1 ZINC000432500842 532540110 /nfs/dbraw/zinc/54/01/10/532540110.db2.gz JZCJFBZJLDGLAZ-OAHLLOKOSA-N 1 2 395.232 2.258 20 0 GEADLO Cc1csc(CNC(=O)C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1 ZINC000283486260 532541787 /nfs/dbraw/zinc/54/17/87/532541787.db2.gz NWRUKPUNBYJDJW-ZDUSSCGKSA-N 1 2 378.523 2.035 20 0 GEADLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)Cc1ccnn1C ZINC000471083321 532542540 /nfs/dbraw/zinc/54/25/40/532542540.db2.gz QVXHXMXGFMWHAN-LLVKDONJSA-N 1 2 398.248 2.484 20 0 GEADLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)Cc1ccnn1C ZINC000471083321 532542545 /nfs/dbraw/zinc/54/25/45/532542545.db2.gz QVXHXMXGFMWHAN-LLVKDONJSA-N 1 2 398.248 2.484 20 0 GEADLO C[C@H]([NH3+])C[C@H](C)NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000565004045 532543178 /nfs/dbraw/zinc/54/31/78/532543178.db2.gz MSUAYZQRGUSFJT-STQMWFEESA-N 1 2 381.523 2.333 20 0 GEADLO CCN1CCN(C(=O)Nc2cncc(Br)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000432699269 532544033 /nfs/dbraw/zinc/54/40/33/532544033.db2.gz NPLLGBVGIAFZSC-CYBMUJFWSA-N 1 2 379.262 2.478 20 0 GEADLO NC(=O)[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1cccc(Br)c1 ZINC000526990812 532544170 /nfs/dbraw/zinc/54/41/70/532544170.db2.gz MROIPWYVAXCCTD-OAHLLOKOSA-N 1 2 390.285 2.156 20 0 GEADLO Cc1csc2c1C[N@H+]([C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000374841820 532520930 /nfs/dbraw/zinc/52/09/30/532520930.db2.gz ZLYXLLHSCJHQGE-LBPRGKRZSA-N 1 2 379.507 2.089 20 0 GEADLO Cc1csc2c1C[N@@H+]([C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000374841820 532520932 /nfs/dbraw/zinc/52/09/32/532520932.db2.gz ZLYXLLHSCJHQGE-LBPRGKRZSA-N 1 2 379.507 2.089 20 0 GEADLO CCc1cc(Br)ccc1NC(=O)C(=O)NCc1[nH+]ccn1CC ZINC000296453399 532521269 /nfs/dbraw/zinc/52/12/69/532521269.db2.gz ICQJKCAAJZQHTJ-UHFFFAOYSA-N 1 2 379.258 2.483 20 0 GEADLO COC(=O)[C@H](NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1cccc(Br)c1 ZINC000594711982 532522084 /nfs/dbraw/zinc/52/20/84/532522084.db2.gz OPHDGYRJZADUDV-WOSRLPQWSA-N 1 2 385.302 2.362 20 0 GEADLO COC(=O)[C@H](NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1cccc(Br)c1 ZINC000594711982 532522093 /nfs/dbraw/zinc/52/20/93/532522093.db2.gz OPHDGYRJZADUDV-WOSRLPQWSA-N 1 2 385.302 2.362 20 0 GEADLO O=C(CCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1cc(Cl)sc1Cl ZINC000652890313 532524727 /nfs/dbraw/zinc/52/47/27/532524727.db2.gz XOGHOPXGUMINGP-SNVBAGLBSA-N 1 2 377.293 2.295 20 0 GEADLO O=C(CCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1cc(Cl)sc1Cl ZINC000652890313 532524734 /nfs/dbraw/zinc/52/47/34/532524734.db2.gz XOGHOPXGUMINGP-SNVBAGLBSA-N 1 2 377.293 2.295 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NC/C=C/c2ccc(Br)cc2)C1 ZINC000296514651 532525612 /nfs/dbraw/zinc/52/56/12/532525612.db2.gz CPICKZFEXWOJBK-CWDCEQMOSA-N 1 2 381.318 2.007 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NC/C=C/c2ccc(Br)cc2)C1 ZINC000296514651 532525619 /nfs/dbraw/zinc/52/56/19/532525619.db2.gz CPICKZFEXWOJBK-CWDCEQMOSA-N 1 2 381.318 2.007 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)CC2(CS(C)(=O)=O)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000245931176 532526909 /nfs/dbraw/zinc/52/69/09/532526909.db2.gz UVMUTNOGTCVHIV-NVXWUHKLSA-N 1 2 384.929 2.416 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)CC2(CS(C)(=O)=O)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000245931176 532526915 /nfs/dbraw/zinc/52/69/15/532526915.db2.gz UVMUTNOGTCVHIV-NVXWUHKLSA-N 1 2 384.929 2.416 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)Cc2cc(Br)ccc2OC)CCO1 ZINC000470448796 532528227 /nfs/dbraw/zinc/52/82/27/532528227.db2.gz AAHCCOKAJYQMRZ-OAHLLOKOSA-N 1 2 385.302 2.227 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)Cc2cc(Br)ccc2OC)CCO1 ZINC000470448796 532528232 /nfs/dbraw/zinc/52/82/32/532528232.db2.gz AAHCCOKAJYQMRZ-OAHLLOKOSA-N 1 2 385.302 2.227 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000470442220 532528723 /nfs/dbraw/zinc/52/87/23/532528723.db2.gz MBUFCRHSQNCJTM-MRXNPFEDSA-N 1 2 395.297 2.452 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000470442220 532528729 /nfs/dbraw/zinc/52/87/29/532528729.db2.gz MBUFCRHSQNCJTM-MRXNPFEDSA-N 1 2 395.297 2.452 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)Cc2cc(OC)ccc2Br)CCO1 ZINC000470459849 532529756 /nfs/dbraw/zinc/52/97/56/532529756.db2.gz SQBPGJJNCTUVGQ-AWEZNQCLSA-N 1 2 385.302 2.227 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)Cc2cc(OC)ccc2Br)CCO1 ZINC000470459849 532529760 /nfs/dbraw/zinc/52/97/60/532529760.db2.gz SQBPGJJNCTUVGQ-AWEZNQCLSA-N 1 2 385.302 2.227 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000296594464 532530020 /nfs/dbraw/zinc/53/00/20/532530020.db2.gz USAUMURRLMAQJO-UHFFFAOYSA-N 1 2 383.221 2.368 20 0 GEADLO CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246868021 532545276 /nfs/dbraw/zinc/54/52/76/532545276.db2.gz QWNAPYWLUUXLRQ-OAGGEKHMSA-N 1 2 385.892 2.262 20 0 GEADLO CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246868021 532545281 /nfs/dbraw/zinc/54/52/81/532545281.db2.gz QWNAPYWLUUXLRQ-OAGGEKHMSA-N 1 2 385.892 2.262 20 0 GEADLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CCOCC(F)(F)F ZINC000432305623 532533776 /nfs/dbraw/zinc/53/37/76/532533776.db2.gz CXKCTDAZZZDBSE-CYBMUJFWSA-N 1 2 377.388 2.340 20 0 GEADLO Cc1ncc2c(n1)CC[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000527127894 532545313 /nfs/dbraw/zinc/54/53/13/532545313.db2.gz RZBVMTIIURLPMR-HNNXBMFYSA-N 1 2 396.260 2.485 20 0 GEADLO Cc1ncc2c(n1)CC[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000527127894 532545320 /nfs/dbraw/zinc/54/53/20/532545320.db2.gz RZBVMTIIURLPMR-HNNXBMFYSA-N 1 2 396.260 2.485 20 0 GEADLO Cc1cccc(OCCNC(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000432990080 532551723 /nfs/dbraw/zinc/55/17/23/532551723.db2.gz XKBMGDZMWMOOHM-ZDUSSCGKSA-N 1 2 393.285 2.393 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000432990104 532552193 /nfs/dbraw/zinc/55/21/93/532552193.db2.gz XOQCHRKDWGHNOM-QMMMGPOBSA-N 1 2 399.270 2.377 20 0 GEADLO COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000433004385 532553229 /nfs/dbraw/zinc/55/32/29/532553229.db2.gz FBYCEXZKLNSKFD-JTQLQIEISA-N 1 2 393.241 2.315 20 0 GEADLO C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1ncc(Br)cn1 ZINC000433004929 532553738 /nfs/dbraw/zinc/55/37/38/532553738.db2.gz INZKQZGHHZOMJF-JTQLQIEISA-N 1 2 378.230 2.238 20 0 GEADLO CN(C)c1cccc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000471621788 532553880 /nfs/dbraw/zinc/55/38/80/532553880.db2.gz UGZOFECZFKJFFQ-UHFFFAOYSA-N 1 2 376.404 2.332 20 0 GEADLO COCCNC(=O)C[NH+]1CCN(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000433026184 532554228 /nfs/dbraw/zinc/55/42/28/532554228.db2.gz OLCPVGJCEXVVTC-UHFFFAOYSA-N 1 2 387.267 2.019 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(Cl)n1 ZINC000248693803 532555680 /nfs/dbraw/zinc/55/56/80/532555680.db2.gz CDPFDLMLRIKXII-SOUVJXGZSA-N 1 2 387.933 2.306 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249058567 532558269 /nfs/dbraw/zinc/55/82/69/532558269.db2.gz YBJGPGQKOOHBAX-KDOFPFPSSA-N 1 2 397.313 2.287 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249058567 532558272 /nfs/dbraw/zinc/55/82/72/532558272.db2.gz YBJGPGQKOOHBAX-KDOFPFPSSA-N 1 2 397.313 2.287 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000249060025 532559118 /nfs/dbraw/zinc/55/91/18/532559118.db2.gz PNEBEFCYRBZGRA-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000249060025 532559122 /nfs/dbraw/zinc/55/91/22/532559122.db2.gz PNEBEFCYRBZGRA-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO Cc1csc([C@@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C(F)(F)F)n1 ZINC000297017630 532560611 /nfs/dbraw/zinc/56/06/11/532560611.db2.gz MKMGABNSLGAFOA-LLVKDONJSA-N 1 2 380.436 2.465 20 0 GEADLO Cc1csc([C@@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C(F)(F)F)n1 ZINC000297017630 532560616 /nfs/dbraw/zinc/56/06/16/532560616.db2.gz MKMGABNSLGAFOA-LLVKDONJSA-N 1 2 380.436 2.465 20 0 GEADLO CC[C@H](CSC)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000565472782 532565923 /nfs/dbraw/zinc/56/59/23/532565923.db2.gz IEIZAOGJJOJNFH-PMPSAXMXSA-N 1 2 383.945 2.459 20 0 GEADLO CC[C@H](CSC)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000565472782 532565925 /nfs/dbraw/zinc/56/59/25/532565925.db2.gz IEIZAOGJJOJNFH-PMPSAXMXSA-N 1 2 383.945 2.459 20 0 GEADLO C[C@@H]1CCNC(=O)[C@H]1NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000249611910 532568923 /nfs/dbraw/zinc/56/89/23/532568923.db2.gz SGBCIXMZAWLLDG-KCXAZCMYSA-N 1 2 394.313 2.227 20 0 GEADLO CCSC1(CNC(=O)C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CC1 ZINC000595170073 532547106 /nfs/dbraw/zinc/54/71/06/532547106.db2.gz QWNUOZNBVUDLRE-CQSZACIVSA-N 1 2 381.567 2.355 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000247343935 532547943 /nfs/dbraw/zinc/54/79/43/532547943.db2.gz XSDDYARRTUULRR-CZUORRHYSA-N 1 2 385.917 2.167 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000247343935 532547947 /nfs/dbraw/zinc/54/79/47/532547947.db2.gz XSDDYARRTUULRR-CZUORRHYSA-N 1 2 385.917 2.167 20 0 GEADLO Cc1cc(Br)cn2cc(CNS(=O)(=O)N(C)CC(C)C)[nH+]c12 ZINC000565140778 532549599 /nfs/dbraw/zinc/54/95/99/532549599.db2.gz RPSGQAMNKUMNDS-UHFFFAOYSA-N 1 2 389.319 2.327 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc(Br)c(F)c1F ZINC000529174139 532595524 /nfs/dbraw/zinc/59/55/24/532595524.db2.gz WFFPIXISGUKXTB-UHFFFAOYSA-N 1 2 375.213 2.322 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000632169203 532585193 /nfs/dbraw/zinc/58/51/93/532585193.db2.gz MFTLKWJOTKKYQO-UONOGXRCSA-N 1 2 384.395 2.069 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000632169203 532585200 /nfs/dbraw/zinc/58/52/00/532585200.db2.gz MFTLKWJOTKKYQO-UONOGXRCSA-N 1 2 384.395 2.069 20 0 GEADLO CCOC(=O)c1nn(C)cc1C[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000473130060 532586007 /nfs/dbraw/zinc/58/60/07/532586007.db2.gz YHMKFQVVZZNLFI-UHFFFAOYSA-N 1 2 395.257 2.088 20 0 GEADLO O=C(c1cn2ccc(Br)cc2n1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000375904274 532586131 /nfs/dbraw/zinc/58/61/31/532586131.db2.gz UKJMIGVIMCJXNN-CQSZACIVSA-N 1 2 386.253 2.279 20 0 GEADLO O=C(c1cn2ccc(Br)cc2n1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000375902606 532586233 /nfs/dbraw/zinc/58/62/33/532586233.db2.gz PWFRCUQKDZVXKL-CQSZACIVSA-N 1 2 386.253 2.279 20 0 GEADLO Cn1ncc2c1nc(N1CC[C@H](Nc3cccc(Br)c3)C1)[nH+]c2N ZINC000375917092 532586961 /nfs/dbraw/zinc/58/69/61/532586961.db2.gz PVEVEDNMQLTNIT-LBPRGKRZSA-N 1 2 388.273 2.399 20 0 GEADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2nc3cc(Cl)ccc3s2)CC1 ZINC000297401671 532587712 /nfs/dbraw/zinc/58/77/12/532587712.db2.gz HZELZZZGNUCVGG-UHFFFAOYSA-N 1 2 380.901 2.186 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1ccc(Br)cc1 ZINC000434129586 532588362 /nfs/dbraw/zinc/58/83/62/532588362.db2.gz ZGPPNONHXUCBOG-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO O[C@@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000473446263 532590967 /nfs/dbraw/zinc/59/09/67/532590967.db2.gz ZWXUUSDYBOGBQV-OCCSQVGLSA-N 1 2 380.491 2.402 20 0 GEADLO O[C@@H](COc1ccc2c(c1)OCO2)C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000473446263 532590973 /nfs/dbraw/zinc/59/09/73/532590973.db2.gz ZWXUUSDYBOGBQV-OCCSQVGLSA-N 1 2 380.491 2.402 20 0 GEADLO CCCc1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c1 ZINC000262380036 532592325 /nfs/dbraw/zinc/59/23/25/532592325.db2.gz XSKGYNXLKQFAQT-HNNXBMFYSA-N 1 2 382.917 2.361 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000376050153 532593810 /nfs/dbraw/zinc/59/38/10/532593810.db2.gz KAPZTIOZHLXNPF-UHFFFAOYSA-N 1 2 381.885 2.441 20 0 GEADLO COC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000251857216 532571209 /nfs/dbraw/zinc/57/12/09/532571209.db2.gz NXPLCBGTTSJHJR-WWGRRREGSA-N 1 2 385.302 2.362 20 0 GEADLO COC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000251857216 532571215 /nfs/dbraw/zinc/57/12/15/532571215.db2.gz NXPLCBGTTSJHJR-WWGRRREGSA-N 1 2 385.302 2.362 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000595736032 532572269 /nfs/dbraw/zinc/57/22/69/532572269.db2.gz LMWNIWXANORPAV-LLVKDONJSA-N 1 2 391.251 2.066 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000595736032 532572274 /nfs/dbraw/zinc/57/22/74/532572274.db2.gz LMWNIWXANORPAV-LLVKDONJSA-N 1 2 391.251 2.066 20 0 GEADLO Cn1cc(C[N@H+](C)CCCOc2cccc(I)c2)nn1 ZINC000595758179 532573689 /nfs/dbraw/zinc/57/36/89/532573689.db2.gz KOXXVYSCDLMHST-UHFFFAOYSA-N 1 2 386.237 2.321 20 0 GEADLO Cn1cc(C[N@@H+](C)CCCOc2cccc(I)c2)nn1 ZINC000595758179 532573692 /nfs/dbraw/zinc/57/36/92/532573692.db2.gz KOXXVYSCDLMHST-UHFFFAOYSA-N 1 2 386.237 2.321 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(I)cc2)C1 ZINC000595823921 532575367 /nfs/dbraw/zinc/57/53/67/532575367.db2.gz URQVWZXLKIWRMH-AWEZNQCLSA-N 1 2 387.265 2.479 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000595823921 532575370 /nfs/dbraw/zinc/57/53/70/532575370.db2.gz URQVWZXLKIWRMH-AWEZNQCLSA-N 1 2 387.265 2.479 20 0 GEADLO O=S(=O)(c1ccc(Br)cc1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261685452 532575456 /nfs/dbraw/zinc/57/54/56/532575456.db2.gz KHGNBQANRYWQED-OAHLLOKOSA-N 1 2 382.283 2.179 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)c1sc(C)nc1C)[NH+]1CCOCC1 ZINC000433637527 532575438 /nfs/dbraw/zinc/57/54/38/532575438.db2.gz FLESPEVJDZCVNN-HNNXBMFYSA-N 1 2 375.560 2.175 20 0 GEADLO O=S(=O)(c1ccc(Br)cc1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261685450 532575634 /nfs/dbraw/zinc/57/56/34/532575634.db2.gz KHGNBQANRYWQED-HNNXBMFYSA-N 1 2 382.283 2.179 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000375711964 532578401 /nfs/dbraw/zinc/57/84/01/532578401.db2.gz QDIISXISTXLWRB-HNNXBMFYSA-N 1 2 385.873 2.206 20 0 GEADLO O=C(Cc1cc(F)ccc1Br)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000433757657 532578877 /nfs/dbraw/zinc/57/88/77/532578877.db2.gz OZRFEOCDFYRRTO-UHFFFAOYSA-N 1 2 381.249 2.198 20 0 GEADLO C[C@@H]1CCCN1S(=O)(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000472661776 532580658 /nfs/dbraw/zinc/58/06/58/532580658.db2.gz UDWPPIXDQUWUNO-OAHLLOKOSA-N 1 2 387.933 2.066 20 0 GEADLO NC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cs2)cc1 ZINC000528785127 532581735 /nfs/dbraw/zinc/58/17/35/532581735.db2.gz RUNCSRACDPAKTB-ITNZAGEZSA-N 1 2 375.519 2.394 20 0 GEADLO NC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cs2)cc1 ZINC000528785127 532581743 /nfs/dbraw/zinc/58/17/43/532581743.db2.gz RUNCSRACDPAKTB-ITNZAGEZSA-N 1 2 375.519 2.394 20 0 GEADLO C[C@H](NC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000474342150 532613700 /nfs/dbraw/zinc/61/37/00/532613700.db2.gz STAGGGJLWJICCJ-HUBLWGQQSA-N 1 2 390.311 2.435 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)CCc2cccc(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632501401 532615615 /nfs/dbraw/zinc/61/56/15/532615615.db2.gz BKGBYTZYBUQDJW-IRXDYDNUSA-N 1 2 386.945 2.301 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)c2ccc(F)cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000632501172 532615674 /nfs/dbraw/zinc/61/56/74/532615674.db2.gz JWHYFFMPVWURHH-GJZGRUSLSA-N 1 2 376.881 2.257 20 0 GEADLO CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000632501636 532616049 /nfs/dbraw/zinc/61/60/49/532616049.db2.gz FENMBAVQOKFRFL-KGLIPLIRSA-N 1 2 382.517 2.477 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000632502767 532617421 /nfs/dbraw/zinc/61/74/21/532617421.db2.gz YKUVWEOSYUUFFM-LSDHHAIUSA-N 1 2 376.881 2.257 20 0 GEADLO COC[C@@]1(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CCC[NH2+]1 ZINC000566608747 532619510 /nfs/dbraw/zinc/61/95/10/532619510.db2.gz MILFBGDRYCKIKD-INIZCTEOSA-N 1 2 381.889 2.171 20 0 GEADLO COC(=O)[C@H]1C[C@H](NC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000596567986 532598427 /nfs/dbraw/zinc/59/84/27/532598427.db2.gz XPUWLWOKSGMTST-UMSPYCQHSA-N 1 2 395.257 2.156 20 0 GEADLO CCS(=O)(=O)CCN(C)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000297650073 532600315 /nfs/dbraw/zinc/60/03/15/532600315.db2.gz ZSUSXTDWFPUJGJ-MRXNPFEDSA-N 1 2 387.571 2.087 20 0 GEADLO CC1(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC[NH2+]CC1 ZINC000434678298 532600488 /nfs/dbraw/zinc/60/04/88/532600488.db2.gz FFCSIOWSNYXVIA-UHFFFAOYSA-N 1 2 379.507 2.421 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCSC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000434715295 532600581 /nfs/dbraw/zinc/60/05/81/532600581.db2.gz XMWAMVSROUCKII-OAHLLOKOSA-N 1 2 376.588 2.020 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCSC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000434715295 532600584 /nfs/dbraw/zinc/60/05/84/532600584.db2.gz XMWAMVSROUCKII-OAHLLOKOSA-N 1 2 376.588 2.020 20 0 GEADLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc2c(cc1Br)OCCO2 ZINC000434711987 532600782 /nfs/dbraw/zinc/60/07/82/532600782.db2.gz TXUVCZCYHBEGKR-ZDUSSCGKSA-N 1 2 385.302 2.373 20 0 GEADLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cc2c(cc1Br)OCCO2 ZINC000434711987 532600790 /nfs/dbraw/zinc/60/07/90/532600790.db2.gz TXUVCZCYHBEGKR-ZDUSSCGKSA-N 1 2 385.302 2.373 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000566306245 532603910 /nfs/dbraw/zinc/60/39/10/532603910.db2.gz JWURKEHWLFMJBZ-INIZCTEOSA-N 1 2 381.885 2.174 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000566306245 532603914 /nfs/dbraw/zinc/60/39/14/532603914.db2.gz JWURKEHWLFMJBZ-INIZCTEOSA-N 1 2 381.885 2.174 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ncc(Br)cc2F)CC1 ZINC000529531803 532607410 /nfs/dbraw/zinc/60/74/10/532607410.db2.gz RJTGLOYEEVKARP-CYBMUJFWSA-N 1 2 399.308 2.112 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)C[C@@H]1CCCC(F)(F)C1)C(C)(C)CO ZINC000632393047 532608743 /nfs/dbraw/zinc/60/87/43/532608743.db2.gz FGLBWNAOJDCHMD-OLZOCXBDSA-N 1 2 379.473 2.225 20 0 GEADLO Cn1c(=O)cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)n(C)c1=O ZINC000376349050 532609532 /nfs/dbraw/zinc/60/95/32/532609532.db2.gz FFORQQWKDCXTCZ-NSHDSACASA-N 1 2 384.299 2.245 20 0 GEADLO Cn1c(=O)cc(C[N@H+]2CCC[C@H]2c2ccc(Br)s2)n(C)c1=O ZINC000376349050 532609541 /nfs/dbraw/zinc/60/95/41/532609541.db2.gz FFORQQWKDCXTCZ-NSHDSACASA-N 1 2 384.299 2.245 20 0 GEADLO O=S(=O)(c1cc(F)ccc1Br)N1CC[NH+](CC2CC2)CC1 ZINC000435217722 532610938 /nfs/dbraw/zinc/61/09/38/532610938.db2.gz RFRIXRKCNGODMV-UHFFFAOYSA-N 1 2 377.279 2.305 20 0 GEADLO CN(CC[NH+]1CCOCC1)Cc1c(F)ccc(I)c1F ZINC000474286151 532611591 /nfs/dbraw/zinc/61/15/91/532611591.db2.gz XTMAPFKOXLWENU-UHFFFAOYSA-N 1 2 396.219 2.333 20 0 GEADLO COCCn1cc(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)cn1 ZINC000632454630 532612769 /nfs/dbraw/zinc/61/27/69/532612769.db2.gz HAHIRTQACODREP-UHFFFAOYSA-N 1 2 392.257 2.178 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000376450183 532613549 /nfs/dbraw/zinc/61/35/49/532613549.db2.gz PDHNJFSEUJESEX-WDEREUQCSA-N 1 2 378.466 2.443 20 0 GEADLO CN(C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C1CCC(F)(F)CC1 ZINC000376645065 532623664 /nfs/dbraw/zinc/62/36/64/532623664.db2.gz VFBAHNVITFPQNY-INIZCTEOSA-N 1 2 377.501 2.414 20 0 GEADLO CC1(C)[C@H](O)CCN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000566721914 532625439 /nfs/dbraw/zinc/62/54/39/532625439.db2.gz DFMNKPBEDWZFBG-CYBMUJFWSA-N 1 2 399.289 2.058 20 0 GEADLO C[C@H](CC[NH+]1CCOCC1)NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000474688563 532625641 /nfs/dbraw/zinc/62/56/41/532625641.db2.gz ATLUDRFDKXLNIJ-CQSZACIVSA-N 1 2 384.929 2.483 20 0 GEADLO Cc1ncc(CNC(=O)C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)s1 ZINC000284854623 532626259 /nfs/dbraw/zinc/62/62/59/532626259.db2.gz FFJLPRMJJAFILX-GFCCVEGCSA-N 1 2 378.523 2.035 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1Cl ZINC000376795183 532629927 /nfs/dbraw/zinc/62/99/27/532629927.db2.gz BLAOFIGFFCIQBH-VIFPVBQESA-N 1 2 375.224 2.230 20 0 GEADLO Cc1cc(Br)cn2cc(CNc3cncc(OCCO)n3)[nH+]c12 ZINC000436437671 532632957 /nfs/dbraw/zinc/63/29/57/532632957.db2.gz LIYDQMXOHHQKJQ-UHFFFAOYSA-N 1 2 378.230 2.178 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2ccccc2C1)c1ncccc1Br ZINC000656870809 532634767 /nfs/dbraw/zinc/63/47/67/532634767.db2.gz CVEGDLGNORKEBH-UHFFFAOYSA-N 1 2 396.310 2.181 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2ccccc2C1)c1ncccc1Br ZINC000656870809 532634773 /nfs/dbraw/zinc/63/47/73/532634773.db2.gz CVEGDLGNORKEBH-UHFFFAOYSA-N 1 2 396.310 2.181 20 0 GEADLO C[NH+](C)[C@H](CNS(=O)(=O)c1ncccc1Br)c1ccsc1 ZINC000656871668 532635544 /nfs/dbraw/zinc/63/55/44/532635544.db2.gz PJRMHXKSEMKRDI-GFCCVEGCSA-N 1 2 390.328 2.487 20 0 GEADLO C[C@@H](NC(=O)c1c(O)cc(Cl)cc1Cl)C(=O)NCC[NH+]1CCCCC1 ZINC000436555331 532637084 /nfs/dbraw/zinc/63/70/84/532637084.db2.gz MGNRCOQXFUFMEW-LLVKDONJSA-N 1 2 388.295 2.419 20 0 GEADLO C[C@H](O)CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000475058566 532637413 /nfs/dbraw/zinc/63/74/13/532637413.db2.gz ZHOMACLGMYHQOL-LBPRGKRZSA-N 1 2 381.325 2.461 20 0 GEADLO CC[C@H](CO)N(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000298322672 532641237 /nfs/dbraw/zinc/64/12/37/532641237.db2.gz OCCNZAHLNIJAEG-CQSZACIVSA-N 1 2 383.290 2.360 20 0 GEADLO COc1cc([C@H](C)[NH2+]Cc2n[nH]cc2Br)ccc1S(C)(=O)=O ZINC000531969400 532641551 /nfs/dbraw/zinc/64/15/51/532641551.db2.gz SYUCNWKHTFWEDY-VIFPVBQESA-N 1 2 388.287 2.435 20 0 GEADLO CCCCN(CCCC)S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531911832 532642285 /nfs/dbraw/zinc/64/22/85/532642285.db2.gz RRFTYMUGCJUTAC-QZTJIDSGSA-N 1 2 375.579 2.366 20 0 GEADLO CC(C)[C@H]1CC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000532038762 532643928 /nfs/dbraw/zinc/64/39/28/532643928.db2.gz UUFOPOKPJAUCNZ-JKSUJKDBSA-N 1 2 384.567 2.242 20 0 GEADLO CC(C)[C@H]1CC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000532038762 532643934 /nfs/dbraw/zinc/64/39/34/532643934.db2.gz UUFOPOKPJAUCNZ-JKSUJKDBSA-N 1 2 384.567 2.242 20 0 GEADLO O=C(CCn1cc[nH+]c1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000263848463 532644874 /nfs/dbraw/zinc/64/48/74/532644874.db2.gz YILOWNNTGGYFPG-UHFFFAOYSA-N 1 2 391.269 2.020 20 0 GEADLO Cc1cc(N2CC[NH+](CC(N)=O)CC2)c2cc(Br)cc(F)c2n1 ZINC000532095649 532645248 /nfs/dbraw/zinc/64/52/48/532645248.db2.gz LSCIHWYTSOIXCD-UHFFFAOYSA-N 1 2 381.249 2.052 20 0 GEADLO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436866302 532645401 /nfs/dbraw/zinc/64/54/01/532645401.db2.gz XXQCACFXCNCVBH-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436866302 532645405 /nfs/dbraw/zinc/64/54/05/532645405.db2.gz XXQCACFXCNCVBH-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO Cn1nc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2Br)nc1N ZINC000298556544 532659947 /nfs/dbraw/zinc/65/99/47/532659947.db2.gz OUAICNOPXQUJRZ-CYBMUJFWSA-N 1 2 393.289 2.326 20 0 GEADLO Cn1nc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2Br)nc1N ZINC000298556544 532659952 /nfs/dbraw/zinc/65/99/52/532659952.db2.gz OUAICNOPXQUJRZ-CYBMUJFWSA-N 1 2 393.289 2.326 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000478941942 532662792 /nfs/dbraw/zinc/66/27/92/532662792.db2.gz ZIJDKROGDKSNBF-LLVKDONJSA-N 1 2 387.303 2.300 20 0 GEADLO Cc1ncc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000533174817 532662744 /nfs/dbraw/zinc/66/27/44/532662744.db2.gz JKQZIWHNWLYSFA-CJNGLKHVSA-N 1 2 381.523 2.019 20 0 GEADLO Cc1ncc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000533174817 532662753 /nfs/dbraw/zinc/66/27/53/532662753.db2.gz JKQZIWHNWLYSFA-CJNGLKHVSA-N 1 2 381.523 2.019 20 0 GEADLO Cn1nc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(Br)cc2)nc1N ZINC000298629526 532663979 /nfs/dbraw/zinc/66/39/79/532663979.db2.gz VRRICUDWGHHQNU-ZDUSSCGKSA-N 1 2 393.289 2.326 20 0 GEADLO Cn1nc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(Br)cc2)nc1N ZINC000298629526 532663985 /nfs/dbraw/zinc/66/39/85/532663985.db2.gz VRRICUDWGHHQNU-ZDUSSCGKSA-N 1 2 393.289 2.326 20 0 GEADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000437896742 532664401 /nfs/dbraw/zinc/66/44/01/532664401.db2.gz PZCMNPGRYCBOSE-KBPBESRZSA-N 1 2 386.480 2.321 20 0 GEADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000437896742 532664407 /nfs/dbraw/zinc/66/44/07/532664407.db2.gz PZCMNPGRYCBOSE-KBPBESRZSA-N 1 2 386.480 2.321 20 0 GEADLO COc1ccc([C@@H](C)[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(Br)c1 ZINC000377631191 532664737 /nfs/dbraw/zinc/66/47/37/532664737.db2.gz WAPCQCGEAYPAOH-ZYHUDNBSSA-N 1 2 377.304 2.272 20 0 GEADLO COc1ccc([C@@H](C)[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(Br)c1 ZINC000377631191 532664744 /nfs/dbraw/zinc/66/47/44/532664744.db2.gz WAPCQCGEAYPAOH-ZYHUDNBSSA-N 1 2 377.304 2.272 20 0 GEADLO COc1ccc([C@@H](C)[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c(Br)c1 ZINC000377631189 532664787 /nfs/dbraw/zinc/66/47/87/532664787.db2.gz WAPCQCGEAYPAOH-PWSUYJOCSA-N 1 2 377.304 2.272 20 0 GEADLO COc1ccc([C@@H](C)[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c(Br)c1 ZINC000377631189 532664792 /nfs/dbraw/zinc/66/47/92/532664792.db2.gz WAPCQCGEAYPAOH-PWSUYJOCSA-N 1 2 377.304 2.272 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(OC)c(OC)cc2Br)C1 ZINC000599567085 532665877 /nfs/dbraw/zinc/66/58/77/532665877.db2.gz LTTGWYJPPCXDAT-MRXNPFEDSA-N 1 2 388.258 2.230 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc(OC)c(OC)cc2Br)C1 ZINC000599567085 532665880 /nfs/dbraw/zinc/66/58/80/532665880.db2.gz LTTGWYJPPCXDAT-MRXNPFEDSA-N 1 2 388.258 2.230 20 0 GEADLO Cc1ccc2[nH+]c(CNC(=O)NCc3c(Br)cnn3C)cn2c1 ZINC000633440702 532667915 /nfs/dbraw/zinc/66/79/15/532667915.db2.gz BWQNYHOWPLLGSH-UHFFFAOYSA-N 1 2 377.246 2.138 20 0 GEADLO COC(=O)CCC[NH2+][C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000599593913 532667936 /nfs/dbraw/zinc/66/79/36/532667936.db2.gz GWLFOEOSFKBCEM-QGZVFWFLSA-N 1 2 384.270 2.392 20 0 GEADLO C[C@H](COCC(F)(F)F)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000263887940 532648296 /nfs/dbraw/zinc/64/82/96/532648296.db2.gz YDKRSVRSVVXCDX-GFCCVEGCSA-N 1 2 380.436 2.328 20 0 GEADLO C[C@H](COCC(F)(F)F)NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000263887940 532648298 /nfs/dbraw/zinc/64/82/98/532648298.db2.gz YDKRSVRSVVXCDX-GFCCVEGCSA-N 1 2 380.436 2.328 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000298431561 532649190 /nfs/dbraw/zinc/64/91/90/532649190.db2.gz OVYWENOLXUDUQD-UHFFFAOYSA-N 1 2 379.258 2.407 20 0 GEADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532358767 532650539 /nfs/dbraw/zinc/65/05/39/532650539.db2.gz KGNYTNAMUZXHHA-NSHDSACASA-N 1 2 382.258 2.231 20 0 GEADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532358767 532650544 /nfs/dbraw/zinc/65/05/44/532650544.db2.gz KGNYTNAMUZXHHA-NSHDSACASA-N 1 2 382.258 2.231 20 0 GEADLO C[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437245372 532652314 /nfs/dbraw/zinc/65/23/14/532652314.db2.gz PRFRMCOKJDDEMJ-NSHDSACASA-N 1 2 381.420 2.198 20 0 GEADLO C[C@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437245370 532653042 /nfs/dbraw/zinc/65/30/42/532653042.db2.gz PRFRMCOKJDDEMJ-LLVKDONJSA-N 1 2 381.420 2.198 20 0 GEADLO C[NH+]1CCN(CCOc2ccc(NS(=O)(=O)c3ccsc3)cc2)CC1 ZINC000285153326 532653075 /nfs/dbraw/zinc/65/30/75/532653075.db2.gz RQPAJZLESFOJOE-UHFFFAOYSA-N 1 2 381.523 2.175 20 0 GEADLO CN1CC[NH+](CCOc2ccc(NS(=O)(=O)c3ccsc3)cc2)CC1 ZINC000285153326 532653085 /nfs/dbraw/zinc/65/30/85/532653085.db2.gz RQPAJZLESFOJOE-UHFFFAOYSA-N 1 2 381.523 2.175 20 0 GEADLO O=C(CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F)Nc1ccccc1F ZINC000437248395 532653170 /nfs/dbraw/zinc/65/31/70/532653170.db2.gz RGVXYTHQGHFKJI-UHFFFAOYSA-N 1 2 379.335 2.138 20 0 GEADLO C[C@H](CCS(C)(=O)=O)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532398732 532653555 /nfs/dbraw/zinc/65/35/55/532653555.db2.gz JERKAABLTWTJGL-DOMZBBRYSA-N 1 2 375.922 2.065 20 0 GEADLO Cc1ccc(C(=O)N(C)CC[NH+]2CCOCC2)cc1I ZINC000263968818 532653877 /nfs/dbraw/zinc/65/38/77/532653877.db2.gz WEQXTMBRBWKJDK-UHFFFAOYSA-N 1 2 388.249 2.004 20 0 GEADLO C[C@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437249743 532654242 /nfs/dbraw/zinc/65/42/42/532654242.db2.gz VTQRNVCTFVXREO-NWDGAFQWSA-N 1 2 381.420 2.055 20 0 GEADLO O=C(CCS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F)Nc1ccccc1 ZINC000437255588 532654361 /nfs/dbraw/zinc/65/43/61/532654361.db2.gz XSMRFEGRHYTRST-UHFFFAOYSA-N 1 2 375.372 2.389 20 0 GEADLO CC[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437249555 532654886 /nfs/dbraw/zinc/65/48/86/532654886.db2.gz IMQGDPSAGACWHP-LBPRGKRZSA-N 1 2 381.420 2.151 20 0 GEADLO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000263988671 532655260 /nfs/dbraw/zinc/65/52/60/532655260.db2.gz UIRSMBWYDFYJMA-NSHDSACASA-N 1 2 395.257 2.188 20 0 GEADLO O=C(CCc1ccc(Cl)s1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000477912350 532655563 /nfs/dbraw/zinc/65/55/63/532655563.db2.gz UKMXSICVKLPULF-UHFFFAOYSA-N 1 2 383.945 2.395 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ncccc2Br)CC1(C)C ZINC000657000686 532656976 /nfs/dbraw/zinc/65/69/76/532656976.db2.gz WXUNTGMOONGWSR-NSHDSACASA-N 1 2 385.287 2.349 20 0 GEADLO Cn1nc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(Br)c2)nc1N ZINC000298534234 532658306 /nfs/dbraw/zinc/65/83/06/532658306.db2.gz MKONDOLVNZZXBT-ZDUSSCGKSA-N 1 2 393.289 2.326 20 0 GEADLO Cn1nc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc(Br)c2)nc1N ZINC000298534234 532658314 /nfs/dbraw/zinc/65/83/14/532658314.db2.gz MKONDOLVNZZXBT-ZDUSSCGKSA-N 1 2 393.289 2.326 20 0 GEADLO COCc1cccc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000264086771 532659099 /nfs/dbraw/zinc/65/90/99/532659099.db2.gz PLPBQQKGPXGYOI-UHFFFAOYSA-N 1 2 377.388 2.413 20 0 GEADLO CCOC(=O)C[C@@H](O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000599372527 532659384 /nfs/dbraw/zinc/65/93/84/532659384.db2.gz VYGIFGVWYMRGCC-GXFFZTMASA-N 1 2 398.257 2.464 20 0 GEADLO Cc1ccc(Br)c(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000535649623 532684348 /nfs/dbraw/zinc/68/43/48/532684348.db2.gz FBTYEKUKEBOAFP-UHFFFAOYSA-N 1 2 379.258 2.489 20 0 GEADLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c(C)onc1N)c1ccccc1Cl ZINC000439208675 532685065 /nfs/dbraw/zinc/68/50/65/532685065.db2.gz AWRMEPLRMZLRPF-AWEZNQCLSA-N 1 2 386.905 2.580 20 0 GEADLO O=C(CCOc1ccccc1I)N1CC(n2cc[nH+]c2)C1 ZINC000568706678 532685136 /nfs/dbraw/zinc/68/51/36/532685136.db2.gz ZVOKJGHHSRHFNI-UHFFFAOYSA-N 1 2 397.216 2.340 20 0 GEADLO O=S(=O)(c1ccc(F)c(Br)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000439245290 532686922 /nfs/dbraw/zinc/68/69/22/532686922.db2.gz JCDMABZTDAAXSN-LLVKDONJSA-N 1 2 377.279 2.447 20 0 GEADLO O=S(=O)(c1ccc(F)c(Br)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000439245290 532686927 /nfs/dbraw/zinc/68/69/27/532686927.db2.gz JCDMABZTDAAXSN-LLVKDONJSA-N 1 2 377.279 2.447 20 0 GEADLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000663765759 532686388 /nfs/dbraw/zinc/68/63/88/532686388.db2.gz WHYPZNFAQIXPDJ-UHFFFAOYSA-N 1 2 380.246 2.342 20 0 GEADLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000663765759 532686390 /nfs/dbraw/zinc/68/63/90/532686390.db2.gz WHYPZNFAQIXPDJ-UHFFFAOYSA-N 1 2 380.246 2.342 20 0 GEADLO COc1c(Br)cccc1C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000481939144 532670043 /nfs/dbraw/zinc/67/00/43/532670043.db2.gz UZDIZBQFGKFJLF-CYBMUJFWSA-N 1 2 391.331 2.361 20 0 GEADLO COc1c(Br)cccc1C[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000481939144 532670046 /nfs/dbraw/zinc/67/00/46/532670046.db2.gz UZDIZBQFGKFJLF-CYBMUJFWSA-N 1 2 391.331 2.361 20 0 GEADLO Cc1cc(Br)oc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000264321242 532670808 /nfs/dbraw/zinc/67/08/08/532670808.db2.gz QIYOOQVOUCJWGL-UHFFFAOYSA-N 1 2 383.246 2.132 20 0 GEADLO Cc1cccc(C)c1C[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000438471097 532671826 /nfs/dbraw/zinc/67/18/26/532671826.db2.gz RCZXZMFTIDZXQY-UHFFFAOYSA-N 1 2 379.448 2.254 20 0 GEADLO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377915104 532672923 /nfs/dbraw/zinc/67/29/23/532672923.db2.gz LIAVNNVJJQUKIZ-NSHDSACASA-N 1 2 377.242 2.093 20 0 GEADLO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377915104 532672928 /nfs/dbraw/zinc/67/29/28/532672928.db2.gz LIAVNNVJJQUKIZ-NSHDSACASA-N 1 2 377.242 2.093 20 0 GEADLO COC(=O)C1CCN(C(=O)C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000483228677 532674603 /nfs/dbraw/zinc/67/46/03/532674603.db2.gz DZYWXXGMTRXPRC-CQSZACIVSA-N 1 2 389.279 2.028 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000298801301 532675210 /nfs/dbraw/zinc/67/52/10/532675210.db2.gz GGXAPTBZIKMMNO-UHFFFAOYSA-N 1 2 381.479 2.008 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000264441913 532675480 /nfs/dbraw/zinc/67/54/80/532675480.db2.gz OEKFVICGSRUGMY-CQSZACIVSA-N 1 2 382.346 2.479 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000483264485 532675839 /nfs/dbraw/zinc/67/58/39/532675839.db2.gz RETOXBFGYFAYNC-RISCZKNCSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000483264485 532675845 /nfs/dbraw/zinc/67/58/45/532675845.db2.gz RETOXBFGYFAYNC-RISCZKNCSA-N 1 2 376.266 2.359 20 0 GEADLO Cc1ccc2c(c1Br)CN(C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C2 ZINC000660853899 532676608 /nfs/dbraw/zinc/67/66/08/532676608.db2.gz KCBJYULSWVLYIJ-AWEZNQCLSA-N 1 2 395.345 2.419 20 0 GEADLO O=C(c1cc(Br)cnc1OCC1CC1)N1CCn2c[nH+]cc2C1 ZINC000378051371 532677660 /nfs/dbraw/zinc/67/76/60/532677660.db2.gz HWYKHISJJKKLAU-UHFFFAOYSA-N 1 2 377.242 2.485 20 0 GEADLO CCNC(=O)NCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000484371459 532678113 /nfs/dbraw/zinc/67/81/13/532678113.db2.gz KSPGOCNWGNBUKX-HNNXBMFYSA-N 1 2 397.317 2.021 20 0 GEADLO CC[N@H+](Cc1cnn2cc(Br)cnc12)[C@@H](C)CS(=O)(=O)CC ZINC000638081052 532679746 /nfs/dbraw/zinc/67/97/46/532679746.db2.gz HQNUFSVSJXXUDK-NSHDSACASA-N 1 2 389.319 2.137 20 0 GEADLO CC[N@@H+](Cc1cnn2cc(Br)cnc12)[C@@H](C)CS(=O)(=O)CC ZINC000638081052 532679754 /nfs/dbraw/zinc/67/97/54/532679754.db2.gz HQNUFSVSJXXUDK-NSHDSACASA-N 1 2 389.319 2.137 20 0 GEADLO C[N@H+](Cc1ccc(S(N)(=O)=O)s1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000638097324 532680024 /nfs/dbraw/zinc/68/00/24/532680024.db2.gz UEGAUASUGSKFHS-HNNXBMFYSA-N 1 2 379.507 2.023 20 0 GEADLO C[N@@H+](Cc1ccc(S(N)(=O)=O)s1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000638097324 532680031 /nfs/dbraw/zinc/68/00/31/532680031.db2.gz UEGAUASUGSKFHS-HNNXBMFYSA-N 1 2 379.507 2.023 20 0 GEADLO CSc1cc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c(Cl)cc1Cl ZINC000378141334 532682208 /nfs/dbraw/zinc/68/22/08/532682208.db2.gz WUXOFFGWMDQPKT-UHFFFAOYSA-N 1 2 376.309 2.349 20 0 GEADLO CSc1cc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c(Cl)cc1Cl ZINC000378141334 532682215 /nfs/dbraw/zinc/68/22/15/532682215.db2.gz WUXOFFGWMDQPKT-UHFFFAOYSA-N 1 2 376.309 2.349 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000536574009 532692959 /nfs/dbraw/zinc/69/29/59/532692959.db2.gz PKSWKGFBBKPHTQ-AMXDTQDGSA-N 1 2 399.365 2.115 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000536574009 532692965 /nfs/dbraw/zinc/69/29/65/532692965.db2.gz PKSWKGFBBKPHTQ-AMXDTQDGSA-N 1 2 399.365 2.115 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000569257424 532694058 /nfs/dbraw/zinc/69/40/58/532694058.db2.gz XCYJEGKGABSYBR-TZMCWYRMSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000569257424 532694062 /nfs/dbraw/zinc/69/40/62/532694062.db2.gz XCYJEGKGABSYBR-TZMCWYRMSA-N 1 2 380.286 2.318 20 0 GEADLO CC[C@@H]1C[N@H+](CCNS(=O)(=O)Cc2ccccc2C(F)(F)F)CCO1 ZINC000487335214 532694505 /nfs/dbraw/zinc/69/45/05/532694505.db2.gz GZYLQMYQKKXBES-CQSZACIVSA-N 1 2 380.432 2.236 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNS(=O)(=O)Cc2ccccc2C(F)(F)F)CCO1 ZINC000487335214 532694511 /nfs/dbraw/zinc/69/45/11/532694511.db2.gz GZYLQMYQKKXBES-CQSZACIVSA-N 1 2 380.432 2.236 20 0 GEADLO O=C(Nc1nnc([C@H]2CCCO2)s1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000640738885 532695909 /nfs/dbraw/zinc/69/59/09/532695909.db2.gz FDOGSMNRPBTJRB-CYBMUJFWSA-N 1 2 379.511 2.801 20 0 GEADLO CC(C)C(=O)NCC[N@H+](C)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000536617974 532695946 /nfs/dbraw/zinc/69/59/46/532695946.db2.gz TUDRNIGKLDKSRX-ZDUSSCGKSA-N 1 2 386.279 2.329 20 0 GEADLO CC(C)C(=O)NCC[N@@H+](C)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000536617974 532695953 /nfs/dbraw/zinc/69/59/53/532695953.db2.gz TUDRNIGKLDKSRX-ZDUSSCGKSA-N 1 2 386.279 2.329 20 0 GEADLO COc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000666064809 532696641 /nfs/dbraw/zinc/69/66/41/532696641.db2.gz VZBNHCZNFMFTMG-CYBMUJFWSA-N 1 2 384.274 2.396 20 0 GEADLO O=C(NCc1ccc(Br)cc1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603600343 532697304 /nfs/dbraw/zinc/69/73/04/532697304.db2.gz AKHCTHVIFCQMBC-UHFFFAOYSA-N 1 2 378.274 2.200 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc2c(cc1OC(F)F)OCO2 ZINC000536659943 532698124 /nfs/dbraw/zinc/69/81/24/532698124.db2.gz OQQBKLZPRQLXIK-LLVKDONJSA-N 1 2 375.393 2.497 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc2c(cc1OC(F)F)OCO2 ZINC000536659943 532698128 /nfs/dbraw/zinc/69/81/28/532698128.db2.gz OQQBKLZPRQLXIK-LLVKDONJSA-N 1 2 375.393 2.497 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000569664560 532701817 /nfs/dbraw/zinc/70/18/17/532701817.db2.gz FHWVAAQFSDNJJI-RULNRJAQSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000569664560 532701822 /nfs/dbraw/zinc/70/18/22/532701822.db2.gz FHWVAAQFSDNJJI-RULNRJAQSA-N 1 2 380.794 2.361 20 0 GEADLO OC[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc(Br)c(F)c1 ZINC000488735249 532702297 /nfs/dbraw/zinc/70/22/97/532702297.db2.gz SIASASBTASHMNW-AWEZNQCLSA-N 1 2 397.248 2.360 20 0 GEADLO OC[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc(Br)c(F)c1 ZINC000488735249 532702304 /nfs/dbraw/zinc/70/23/04/532702304.db2.gz SIASASBTASHMNW-AWEZNQCLSA-N 1 2 397.248 2.360 20 0 GEADLO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)ccc1Br ZINC000378271520 532687323 /nfs/dbraw/zinc/68/73/23/532687323.db2.gz VHLHXMUDIMWAKZ-MRXNPFEDSA-N 1 2 394.313 2.184 20 0 GEADLO CSc1ccccc1C[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439286901 532687646 /nfs/dbraw/zinc/68/76/46/532687646.db2.gz UOVQGXOGSIQITJ-UHFFFAOYSA-N 1 2 397.488 2.359 20 0 GEADLO COC[C@@H]1C[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H](C)O1 ZINC000439280052 532688620 /nfs/dbraw/zinc/68/86/20/532688620.db2.gz CQYBFRWMCYNCJG-OCCSQVGLSA-N 1 2 375.296 2.388 20 0 GEADLO COC[C@@H]1C[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H](C)O1 ZINC000439280052 532688628 /nfs/dbraw/zinc/68/86/28/532688628.db2.gz CQYBFRWMCYNCJG-OCCSQVGLSA-N 1 2 375.296 2.388 20 0 GEADLO Cc1ccc(F)cc1C[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439290012 532689067 /nfs/dbraw/zinc/68/90/67/532689067.db2.gz RYNXXVRHJCNOMI-UHFFFAOYSA-N 1 2 383.411 2.085 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000536132682 532690258 /nfs/dbraw/zinc/69/02/58/532690258.db2.gz YNGBJNOQLYJOTC-NEPJUHHUSA-N 1 2 382.507 2.401 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000536132682 532690260 /nfs/dbraw/zinc/69/02/60/532690260.db2.gz YNGBJNOQLYJOTC-NEPJUHHUSA-N 1 2 382.507 2.401 20 0 GEADLO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@]1([NH+](C)C)CCCSC1 ZINC000378313763 532690952 /nfs/dbraw/zinc/69/09/52/532690952.db2.gz NCLKASHHJXYSAZ-QAPCUYQASA-N 1 2 384.567 2.183 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@@H]21 ZINC000285747434 532704252 /nfs/dbraw/zinc/70/42/52/532704252.db2.gz LFRKXOSJHDYYNE-ILXRZTDVSA-N 1 2 383.279 2.197 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CC[C@@H]21 ZINC000285747434 532704255 /nfs/dbraw/zinc/70/42/55/532704255.db2.gz LFRKXOSJHDYYNE-ILXRZTDVSA-N 1 2 383.279 2.197 20 0 GEADLO COc1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)cc1Br ZINC000387499396 532705219 /nfs/dbraw/zinc/70/52/19/532705219.db2.gz KKXQGKKKEXDUEJ-UHFFFAOYSA-N 1 2 388.287 2.413 20 0 GEADLO Cc1cn2cc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)ccc2[nH+]1 ZINC000537267073 532705269 /nfs/dbraw/zinc/70/52/69/532705269.db2.gz QYIAIJNVMURGEY-UHFFFAOYSA-N 1 2 376.829 2.448 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000440267138 532708581 /nfs/dbraw/zinc/70/85/81/532708581.db2.gz FSZDPOSDTCGTKA-JTQLQIEISA-N 1 2 375.416 2.284 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000440267138 532708585 /nfs/dbraw/zinc/70/85/85/532708585.db2.gz FSZDPOSDTCGTKA-JTQLQIEISA-N 1 2 375.416 2.284 20 0 GEADLO Cc1ccc(NC(=O)CN2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(Br)c1 ZINC000285929726 532720732 /nfs/dbraw/zinc/72/07/32/532720732.db2.gz LQYVWUOOUBQLCC-LSDHHAIUSA-N 1 2 396.329 2.491 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000538851466 532720951 /nfs/dbraw/zinc/72/09/51/532720951.db2.gz NORHVEQTALQSRT-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000538851466 532720954 /nfs/dbraw/zinc/72/09/54/532720954.db2.gz NORHVEQTALQSRT-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000646112540 532722613 /nfs/dbraw/zinc/72/26/13/532722613.db2.gz RGTQEDMMHFQAEO-NHYWBVRUSA-N 1 2 378.416 2.152 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000646112540 532722624 /nfs/dbraw/zinc/72/26/24/532722624.db2.gz RGTQEDMMHFQAEO-NHYWBVRUSA-N 1 2 378.416 2.152 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)C1 ZINC000646112951 532722812 /nfs/dbraw/zinc/72/28/12/532722812.db2.gz WHGOJLHKZJYOAP-LKFCYVNXSA-N 1 2 378.420 2.087 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)C1 ZINC000646112951 532722814 /nfs/dbraw/zinc/72/28/14/532722814.db2.gz WHGOJLHKZJYOAP-LKFCYVNXSA-N 1 2 378.420 2.087 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000286005331 532724081 /nfs/dbraw/zinc/72/40/81/532724081.db2.gz YQAAYVUMGHULLS-INWMFGNUSA-N 1 2 395.297 2.247 20 0 GEADLO Cn1c2ccc(NC(=O)c3sccc3S(N)(=O)=O)cc2[nH+]c1C1CC1 ZINC000613104273 532726319 /nfs/dbraw/zinc/72/63/19/532726319.db2.gz WEEBAFZCLQXOST-UHFFFAOYSA-N 1 2 376.463 2.412 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000286077137 532727250 /nfs/dbraw/zinc/72/72/50/532727250.db2.gz SEOPRCQZONOTBS-HACGYAERSA-N 1 2 387.293 2.417 20 0 GEADLO CC[C@@H]1CN(Cc2cn3cc(Br)ccc3[nH+]2)C[C@@H](C)S1(=O)=O ZINC000672566123 532727769 /nfs/dbraw/zinc/72/77/69/532727769.db2.gz HDNQJINFHQCELN-BXUZGUMPSA-N 1 2 386.315 2.494 20 0 GEADLO CC(C)(CNC(=O)Cc1c(F)ccc(Br)c1F)[NH+]1CCOCC1 ZINC000499984996 532729763 /nfs/dbraw/zinc/72/97/63/532729763.db2.gz BDGCRHDCENLYRT-UHFFFAOYSA-N 1 2 391.256 2.497 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000299624107 532731919 /nfs/dbraw/zinc/73/19/19/532731919.db2.gz JYRSAHJNLYZOIK-CYBMUJFWSA-N 1 2 384.479 2.243 20 0 GEADLO COC(=O)CC[NH+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000500045900 532732237 /nfs/dbraw/zinc/73/22/37/532732237.db2.gz BGGSDDZDBYNFQS-UHFFFAOYSA-N 1 2 395.308 2.004 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2cc(F)cc(Br)c2)CCO1 ZINC000494339151 532718477 /nfs/dbraw/zinc/71/84/77/532718477.db2.gz DIRRGFWUMNMSQL-HNNXBMFYSA-N 1 2 388.281 2.498 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2cc(F)cc(Br)c2)CCO1 ZINC000494339151 532718486 /nfs/dbraw/zinc/71/84/86/532718486.db2.gz DIRRGFWUMNMSQL-HNNXBMFYSA-N 1 2 388.281 2.498 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000267489946 532742176 /nfs/dbraw/zinc/74/21/76/532742176.db2.gz WKDRDPZZDDOHJH-UHFFFAOYSA-N 1 2 387.253 2.002 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCCS(=O)(=O)c1ccccc1 ZINC000301150946 532742492 /nfs/dbraw/zinc/74/24/92/532742492.db2.gz JZIVOVMYZWUHBC-UHFFFAOYSA-N 1 2 396.270 2.012 20 0 GEADLO O[C@@H](COC1CCOCC1)C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000676410954 532743610 /nfs/dbraw/zinc/74/36/10/532743610.db2.gz KVFUQZAESQDDPP-GFCCVEGCSA-N 1 2 376.316 2.425 20 0 GEADLO O[C@@H](COC1CCOCC1)C[N@H+]1CCc2sc(Br)cc2C1 ZINC000676410954 532743617 /nfs/dbraw/zinc/74/36/17/532743617.db2.gz KVFUQZAESQDDPP-GFCCVEGCSA-N 1 2 376.316 2.425 20 0 GEADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCSC[C@H](C)C2)CC1 ZINC000410956954 532745111 /nfs/dbraw/zinc/74/51/11/532745111.db2.gz MKZJURSYSMTPRG-CABCVRRESA-N 1 2 381.567 2.165 20 0 GEADLO Cn1cc(Br)cc(NC(=O)NCc2cn3c([nH+]2)CCCC3)c1=O ZINC000267544264 532746347 /nfs/dbraw/zinc/74/63/47/532746347.db2.gz AWAACQZIZQUFBY-UHFFFAOYSA-N 1 2 380.246 2.002 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2sccc2Br)C[C@H]1C ZINC000540877737 532746747 /nfs/dbraw/zinc/74/67/47/532746747.db2.gz GTJDZNISNRSKCL-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2sccc2Br)C[C@H]1C ZINC000540877737 532746750 /nfs/dbraw/zinc/74/67/50/532746750.db2.gz GTJDZNISNRSKCL-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO CS[C@H]1CCC[C@H](Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C1 ZINC000301289781 532747345 /nfs/dbraw/zinc/74/73/45/532747345.db2.gz OJMNKVJNFUEGMP-GJZGRUSLSA-N 1 2 384.571 2.104 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000580443921 532747695 /nfs/dbraw/zinc/74/76/95/532747695.db2.gz CGKFRISMFMTXLX-JTQLQIEISA-N 1 2 399.676 2.120 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000674033155 532735448 /nfs/dbraw/zinc/73/54/48/532735448.db2.gz FUIHRXTZCLKMRC-CQSZACIVSA-N 1 2 375.922 2.065 20 0 GEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000540052049 532735482 /nfs/dbraw/zinc/73/54/82/532735482.db2.gz FIRZBVWPLGMFJE-STQMWFEESA-N 1 2 375.332 2.247 20 0 GEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000540052049 532735484 /nfs/dbraw/zinc/73/54/84/532735484.db2.gz FIRZBVWPLGMFJE-STQMWFEESA-N 1 2 375.332 2.247 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000286248443 532736294 /nfs/dbraw/zinc/73/62/94/532736294.db2.gz KLRSAPOYQBGROV-LEWSCRJBSA-N 1 2 393.216 2.330 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000286248443 532736300 /nfs/dbraw/zinc/73/63/00/532736300.db2.gz KLRSAPOYQBGROV-LEWSCRJBSA-N 1 2 393.216 2.330 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C(C)(C)C1 ZINC000501173896 532738566 /nfs/dbraw/zinc/73/85/66/532738566.db2.gz IWVYCDFFEXPSMY-UHFFFAOYSA-N 1 2 383.258 2.442 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C(C)(C)C1 ZINC000501173896 532738570 /nfs/dbraw/zinc/73/85/70/532738570.db2.gz IWVYCDFFEXPSMY-UHFFFAOYSA-N 1 2 383.258 2.442 20 0 GEADLO C[C@@H](CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2)c1ccc(Br)cc1 ZINC000614508777 532738573 /nfs/dbraw/zinc/73/85/73/532738573.db2.gz YIHLOVCVULJMSO-WMLDXEAASA-N 1 2 380.330 2.449 20 0 GEADLO C[C@@H](CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2)c1ccc(Br)cc1 ZINC000614508777 532738578 /nfs/dbraw/zinc/73/85/78/532738578.db2.gz YIHLOVCVULJMSO-WMLDXEAASA-N 1 2 380.330 2.449 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC[N@@H+]1CCOC ZINC000501180456 532738876 /nfs/dbraw/zinc/73/88/76/532738876.db2.gz TZIVJNABSNNZLZ-LBPRGKRZSA-N 1 2 380.432 2.225 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC[N@H+]1CCOC ZINC000501180456 532738880 /nfs/dbraw/zinc/73/88/80/532738880.db2.gz TZIVJNABSNNZLZ-LBPRGKRZSA-N 1 2 380.432 2.225 20 0 GEADLO OCc1cn(CCCNc2cc[nH+]c3c(Br)ccc(F)c23)nn1 ZINC000578705140 532739350 /nfs/dbraw/zinc/73/93/50/532739350.db2.gz GYQYWQOGZGVDJC-UHFFFAOYSA-N 1 2 380.221 2.144 20 0 GEADLO CO[C@@H](C)c1nc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000267339390 532739434 /nfs/dbraw/zinc/73/94/34/532739434.db2.gz CAFSNQMDWPGLFM-LBPRGKRZSA-N 1 2 385.511 2.009 20 0 GEADLO CO[C@@H](C)c1nc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000267339390 532739442 /nfs/dbraw/zinc/73/94/42/532739442.db2.gz CAFSNQMDWPGLFM-LBPRGKRZSA-N 1 2 385.511 2.009 20 0 GEADLO O=C(NC[C@@H]1CN2CC[N@@H+]1CCC2)c1cc(Br)cc2cccnc21 ZINC000614503541 532739522 /nfs/dbraw/zinc/73/95/22/532739522.db2.gz PZVMJZBXAUDCAW-OAHLLOKOSA-N 1 2 389.297 2.117 20 0 GEADLO O=C(NC[C@@H]1CN2CC[N@H+]1CCC2)c1cc(Br)cc2cccnc21 ZINC000614503541 532739527 /nfs/dbraw/zinc/73/95/27/532739527.db2.gz PZVMJZBXAUDCAW-OAHLLOKOSA-N 1 2 389.297 2.117 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000675016858 532739662 /nfs/dbraw/zinc/73/96/62/532739662.db2.gz SFQISRYTPUDJLT-LLVKDONJSA-N 1 2 382.511 2.237 20 0 GEADLO CC1(C)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCS1(=O)=O ZINC000268063387 532754989 /nfs/dbraw/zinc/75/49/89/532754989.db2.gz GAAOWFFATSQELS-UHFFFAOYSA-N 1 2 386.543 2.170 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)c1cncc(I)c1)C1CC1 ZINC000581386736 532755928 /nfs/dbraw/zinc/75/59/28/532755928.db2.gz KCLWEVXOSGMRKQ-GFCCVEGCSA-N 1 2 382.205 2.301 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000286639693 532759977 /nfs/dbraw/zinc/75/99/77/532759977.db2.gz TUCHTMDUCOPXMV-HNNXBMFYSA-N 1 2 378.778 2.384 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000286639693 532759980 /nfs/dbraw/zinc/75/99/80/532759980.db2.gz TUCHTMDUCOPXMV-HNNXBMFYSA-N 1 2 378.778 2.384 20 0 GEADLO CN(C)C(=O)Sc1ccc(C[NH+]2CCN(c3nc(N)ns3)CC2)cc1 ZINC000268292838 532760492 /nfs/dbraw/zinc/76/04/92/532760492.db2.gz JVAOYFVQHKGWBP-UHFFFAOYSA-N 1 2 378.527 2.216 20 0 GEADLO CCN(c1cc[nH+]cc1)S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000541909488 532761394 /nfs/dbraw/zinc/76/13/94/532761394.db2.gz SFKKYPOSOHLKLG-UHFFFAOYSA-N 1 2 379.869 2.416 20 0 GEADLO O=S(=O)(NCC[NH+]1CCC1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000443721388 532749807 /nfs/dbraw/zinc/74/98/07/532749807.db2.gz GRXNVUDOXGXVLT-UHFFFAOYSA-N 1 2 384.395 2.088 20 0 GEADLO C[C@@H](NC(=O)C(=O)N(C)CCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000286471276 532750035 /nfs/dbraw/zinc/75/00/35/532750035.db2.gz KUQYXHZGQFRVOW-CYBMUJFWSA-N 1 2 393.285 2.372 20 0 GEADLO CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)cs2)cc1 ZINC000541323488 532751364 /nfs/dbraw/zinc/75/13/64/532751364.db2.gz DPISUIWVBCESHP-RRQGHBQHSA-N 1 2 378.519 2.416 20 0 GEADLO CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)cs2)cc1 ZINC000541323488 532751368 /nfs/dbraw/zinc/75/13/68/532751368.db2.gz DPISUIWVBCESHP-RRQGHBQHSA-N 1 2 378.519 2.416 20 0 GEADLO C[C@@H](NC(=O)C(=O)N(C)Cc1[nH+]ccn1C)c1ccc(Br)cc1 ZINC000286508445 532751953 /nfs/dbraw/zinc/75/19/53/532751953.db2.gz OALDTFKQVSSTFE-LLVKDONJSA-N 1 2 379.258 2.018 20 0 GEADLO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2cn(C)nn2)C1=O ZINC000506220803 532751995 /nfs/dbraw/zinc/75/19/95/532751995.db2.gz RDCPQLWGIGVQEF-OAHLLOKOSA-N 1 2 392.301 2.480 20 0 GEADLO C[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)n1cncn1 ZINC000580968843 532752319 /nfs/dbraw/zinc/75/23/19/532752319.db2.gz DNBZDOMGQSSNSD-GFCCVEGCSA-N 1 2 393.245 2.120 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccc(Br)c2Cl)C1 ZINC000411270579 532752743 /nfs/dbraw/zinc/75/27/43/532752743.db2.gz GFKRAOIOOYKMJP-SNVBAGLBSA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2Cl)C1 ZINC000411270579 532752746 /nfs/dbraw/zinc/75/27/46/532752746.db2.gz GFKRAOIOOYKMJP-SNVBAGLBSA-N 1 2 396.738 2.108 20 0 GEADLO Cc1nn(C)cc1S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000286531186 532753002 /nfs/dbraw/zinc/75/30/02/532753002.db2.gz GKCHMJRFCIXFCW-HNNXBMFYSA-N 1 2 379.873 2.183 20 0 GEADLO Clc1cccnc1N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302885749 532774870 /nfs/dbraw/zinc/77/48/70/532774870.db2.gz KYDKAKGFLXTMDD-UHFFFAOYSA-N 1 2 376.917 2.405 20 0 GEADLO Clc1cccnc1N1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000302885749 532774873 /nfs/dbraw/zinc/77/48/73/532774873.db2.gz KYDKAKGFLXTMDD-UHFFFAOYSA-N 1 2 376.917 2.405 20 0 GEADLO O=C(C[NH2+]Cc1ncc(I)s1)N1Cc2ccccc2C1 ZINC000511788690 532774888 /nfs/dbraw/zinc/77/48/88/532774888.db2.gz DUDVUNYNVXQCSC-UHFFFAOYSA-N 1 2 399.257 2.380 20 0 GEADLO C[C@H](CC[S@](C)=O)Nc1nc(N[C@@H](C)CC[S@@](C)=O)c(Cl)c[nH+]1 ZINC000269019878 532775446 /nfs/dbraw/zinc/77/54/46/532775446.db2.gz DYGWUEMUJILATF-XIAWUWPKSA-N 1 2 380.967 2.268 20 0 GEADLO NC(=O)c1cc(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)on1 ZINC000542692516 532776316 /nfs/dbraw/zinc/77/63/16/532776316.db2.gz VVAAFWABIDCLCE-UHFFFAOYSA-N 1 2 376.157 2.427 20 0 GEADLO C[C@@H]1CN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC[C@@H]1[NH3+] ZINC000269172039 532776514 /nfs/dbraw/zinc/77/65/14/532776514.db2.gz AGWWELOBUVJSRJ-DOMZBBRYSA-N 1 2 379.507 2.358 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000512289531 532777979 /nfs/dbraw/zinc/77/79/79/532777979.db2.gz SSQGZDOMVBQGJM-SNVBAGLBSA-N 1 2 391.280 2.296 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000512289531 532777984 /nfs/dbraw/zinc/77/79/84/532777984.db2.gz SSQGZDOMVBQGJM-SNVBAGLBSA-N 1 2 391.280 2.296 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cn3ccc(Br)cc3n2)C[C@H](C)O1 ZINC000287013248 532779119 /nfs/dbraw/zinc/77/91/19/532779119.db2.gz JJDRTCFBBUTGCI-BETUJISGSA-N 1 2 395.301 2.278 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cn3ccc(Br)cc3n2)C[C@H](C)O1 ZINC000287013248 532779122 /nfs/dbraw/zinc/77/91/22/532779122.db2.gz JJDRTCFBBUTGCI-BETUJISGSA-N 1 2 395.301 2.278 20 0 GEADLO CC[C@@H](Cc1ccccc1Br)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000268468989 532764894 /nfs/dbraw/zinc/76/48/94/532764894.db2.gz PUYUNQPYYDJJPN-HOTGVXAUSA-N 1 2 397.361 2.315 20 0 GEADLO CC[C@@H](Cc1ccccc1Br)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000268468989 532764896 /nfs/dbraw/zinc/76/48/96/532764896.db2.gz PUYUNQPYYDJJPN-HOTGVXAUSA-N 1 2 397.361 2.315 20 0 GEADLO O=C(C[N@H+]1CCCN(Cc2ncc(Br)s2)CC1)N1CCCC1 ZINC000542131452 532765383 /nfs/dbraw/zinc/76/53/83/532765383.db2.gz ZIKKFAALWIUKHR-UHFFFAOYSA-N 1 2 387.347 2.036 20 0 GEADLO O=C(C[N@@H+]1CCCN(Cc2ncc(Br)s2)CC1)N1CCCC1 ZINC000542131452 532765390 /nfs/dbraw/zinc/76/53/90/532765390.db2.gz ZIKKFAALWIUKHR-UHFFFAOYSA-N 1 2 387.347 2.036 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2cccc(Br)c2)C1=O ZINC000542154091 532765418 /nfs/dbraw/zinc/76/54/18/532765418.db2.gz PLXCCYSTUAQQMV-CQSZACIVSA-N 1 2 391.269 2.104 20 0 GEADLO Cc1nc2sccn2c1C[N@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000268478166 532766071 /nfs/dbraw/zinc/76/60/71/532766071.db2.gz KELUAQFUYISHDS-MRXNPFEDSA-N 1 2 379.507 2.273 20 0 GEADLO Cc1nc2sccn2c1C[N@@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000268478166 532766075 /nfs/dbraw/zinc/76/60/75/532766075.db2.gz KELUAQFUYISHDS-MRXNPFEDSA-N 1 2 379.507 2.273 20 0 GEADLO CCN(CC)c1ccc(CNC(=O)NCCn2cc(Br)cn2)c[nH+]1 ZINC000286749944 532766877 /nfs/dbraw/zinc/76/68/77/532766877.db2.gz UUDAZEFHKSHKME-UHFFFAOYSA-N 1 2 395.305 2.386 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)NCc2cc(Br)ccn2)c(C)[nH+]1 ZINC000411556929 532767482 /nfs/dbraw/zinc/76/74/82/532767482.db2.gz JOGZZTGLARLMRA-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO C[C@](O)(CNc1nnc(Cc2ccc(Cl)cc2)s1)C[NH+]1CCOCC1 ZINC000302559875 532771096 /nfs/dbraw/zinc/77/10/96/532771096.db2.gz ZNBJYUYWASMJSR-KRWDZBQOSA-N 1 2 382.917 2.277 20 0 GEADLO Cn1ncc2c1nc(NC[C@H](O)COc1cccc(Cl)c1Cl)[nH+]c2N ZINC000302538211 532771516 /nfs/dbraw/zinc/77/15/16/532771516.db2.gz HAFVWWAEFKVSAT-QMMMGPOBSA-N 1 2 383.239 2.104 20 0 GEADLO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000588935354 532771787 /nfs/dbraw/zinc/77/17/87/532771787.db2.gz FQIPTXHVZNRNIT-KBRIMQKVSA-N 1 2 380.330 2.305 20 0 GEADLO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000588935355 532772294 /nfs/dbraw/zinc/77/22/94/532772294.db2.gz FQIPTXHVZNRNIT-XYPHTWIQSA-N 1 2 380.330 2.305 20 0 GEADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ncncc1Br ZINC000268818234 532772522 /nfs/dbraw/zinc/77/25/22/532772522.db2.gz OJSFGUOFCGOIJT-CYBMUJFWSA-N 1 2 377.290 2.257 20 0 GEADLO Cc1ncc(C[N@@H+](C)Cc2ccccc2S(=O)(=O)N2CCOCC2)s1 ZINC000510450840 532773136 /nfs/dbraw/zinc/77/31/36/532773136.db2.gz YDLLUKJYMADRFV-UHFFFAOYSA-N 1 2 381.523 2.104 20 0 GEADLO Cc1ncc(C[N@H+](C)Cc2ccccc2S(=O)(=O)N2CCOCC2)s1 ZINC000510450840 532773142 /nfs/dbraw/zinc/77/31/42/532773142.db2.gz YDLLUKJYMADRFV-UHFFFAOYSA-N 1 2 381.523 2.104 20 0 GEADLO Cc1cc(NC(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc[nH+]1 ZINC000287078274 532782706 /nfs/dbraw/zinc/78/27/06/532782706.db2.gz LUAQVIOPHDRDPJ-CQSZACIVSA-N 1 2 380.495 2.426 20 0 GEADLO Cn1nccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000545201948 532783818 /nfs/dbraw/zinc/78/38/18/532783818.db2.gz ONTRSGZRQHFJEO-MRXNPFEDSA-N 1 2 382.917 2.407 20 0 GEADLO Cn1nccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000545201948 532783820 /nfs/dbraw/zinc/78/38/20/532783820.db2.gz ONTRSGZRQHFJEO-MRXNPFEDSA-N 1 2 382.917 2.407 20 0 GEADLO CNC(=O)NC1CC[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000412057625 532784249 /nfs/dbraw/zinc/78/42/49/532784249.db2.gz YFMGYODZVYGWIA-HSZRJFAPSA-N 1 2 378.325 2.494 20 0 GEADLO Cc1cc(Br)ccc1SCC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457088509 532784976 /nfs/dbraw/zinc/78/49/76/532784976.db2.gz KOOICMVOJVIADX-ZDUSSCGKSA-N 1 2 387.343 2.375 20 0 GEADLO Cc1cc(Br)ccc1SCC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457088509 532784980 /nfs/dbraw/zinc/78/49/80/532784980.db2.gz KOOICMVOJVIADX-ZDUSSCGKSA-N 1 2 387.343 2.375 20 0 GEADLO CC(C)CS(=O)(=O)CCC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457083310 532785470 /nfs/dbraw/zinc/78/54/70/532785470.db2.gz JSUPEBHMSKBBRR-UHFFFAOYSA-N 1 2 386.480 2.323 20 0 GEADLO CN(CC(=O)Nc1ccc(Br)cc1)C(C)(C)C[NH+]1CCOCC1 ZINC000412095437 532785651 /nfs/dbraw/zinc/78/56/51/532785651.db2.gz RWSVIPSWWFFIGN-UHFFFAOYSA-N 1 2 384.318 2.430 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000412090955 532785776 /nfs/dbraw/zinc/78/57/76/532785776.db2.gz YLLDGDKURBBUIO-NSHDSACASA-N 1 2 387.299 2.226 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000412090955 532785778 /nfs/dbraw/zinc/78/57/78/532785778.db2.gz YLLDGDKURBBUIO-NSHDSACASA-N 1 2 387.299 2.226 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)c3ccn(C)c(=O)c3)[nH+]c12 ZINC000546821513 532786298 /nfs/dbraw/zinc/78/62/98/532786298.db2.gz XYEYVIJPLZAEFS-UHFFFAOYSA-N 1 2 375.226 2.034 20 0 GEADLO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2cnn(C)n2)C1=O ZINC000287209222 532786318 /nfs/dbraw/zinc/78/63/18/532786318.db2.gz MJSPMXUDAMZSRO-HNNXBMFYSA-N 1 2 392.301 2.480 20 0 GEADLO CNc1cc(I)ccc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000412199184 532786862 /nfs/dbraw/zinc/78/68/62/532786862.db2.gz OBDPXKXHLWKEFI-JTQLQIEISA-N 1 2 396.232 2.343 20 0 GEADLO CNc1cc(I)ccc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000412199184 532786866 /nfs/dbraw/zinc/78/68/66/532786866.db2.gz OBDPXKXHLWKEFI-JTQLQIEISA-N 1 2 396.232 2.343 20 0 GEADLO C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000287254588 532788197 /nfs/dbraw/zinc/78/81/97/532788197.db2.gz RFTGHPDMBNGVSH-ZDUSSCGKSA-N 1 2 381.523 2.158 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000269721735 532788255 /nfs/dbraw/zinc/78/82/55/532788255.db2.gz GMUFCDIHJKDQMK-LLVKDONJSA-N 1 2 383.857 2.418 20 0 GEADLO C[NH+](C)Cc1csc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)n1 ZINC000457299867 532789711 /nfs/dbraw/zinc/78/97/11/532789711.db2.gz WEJVGRXLYJGPAT-UHFFFAOYSA-N 1 2 377.861 2.150 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000548460986 532791254 /nfs/dbraw/zinc/79/12/54/532791254.db2.gz MSUYJJKETDYOPQ-UHFFFAOYSA-N 1 2 380.901 2.346 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000412437993 532792111 /nfs/dbraw/zinc/79/21/11/532792111.db2.gz RVKXSPYTQHODEF-UHFFFAOYSA-N 1 2 391.295 2.178 20 0 GEADLO COCCO[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000548683805 532793470 /nfs/dbraw/zinc/79/34/70/532793470.db2.gz CFFMZMGUNKRJRO-BXUZGUMPSA-N 1 2 387.263 2.363 20 0 GEADLO COCCO[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000548683805 532793472 /nfs/dbraw/zinc/79/34/72/532793472.db2.gz CFFMZMGUNKRJRO-BXUZGUMPSA-N 1 2 387.263 2.363 20 0 GEADLO O=C([C@H]1COc2ccc(Br)cc21)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000328664656 532794415 /nfs/dbraw/zinc/79/44/15/532794415.db2.gz YQCDHPDIVWVLCY-HOTGVXAUSA-N 1 2 388.265 2.493 20 0 GEADLO COc1cc(Br)ccc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287425897 532795202 /nfs/dbraw/zinc/79/52/02/532795202.db2.gz QLDUXBUDFAWDNB-GXTWGEPZSA-N 1 2 383.286 2.393 20 0 GEADLO COc1cc(C[NH+]2CC(CCO)C2)cc(I)c1OC ZINC000459598338 532796048 /nfs/dbraw/zinc/79/60/48/532796048.db2.gz WRPMEGUWOWTYTK-UHFFFAOYSA-N 1 2 377.222 2.123 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)s1 ZINC000328742476 532796228 /nfs/dbraw/zinc/79/62/28/532796228.db2.gz JMOXUKOVJPUNLG-UHFFFAOYSA-N 1 2 376.507 2.211 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000287035259 532780104 /nfs/dbraw/zinc/78/01/04/532780104.db2.gz HESDVZSRUQODPQ-LRDDRELGSA-N 1 2 390.311 2.437 20 0 GEADLO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CCCS(=O)(=O)C1 ZINC000287046125 532780765 /nfs/dbraw/zinc/78/07/65/532780765.db2.gz IRTIIBHBGMTJGX-HUUCEWRRSA-N 1 2 385.555 2.009 20 0 GEADLO C[C@@H](O)CNc1cc(N[C@H](CO)c2ccc(Br)c(F)c2)nc[nH+]1 ZINC000413295237 532809541 /nfs/dbraw/zinc/80/95/41/532809541.db2.gz BWIKPOCYIFUDGB-NOZJJQNGSA-N 1 2 385.237 2.316 20 0 GEADLO C[C@@H](O)CNc1cc(N[C@H](CO)c2ccc(Br)c(F)c2)[nH+]cn1 ZINC000413295237 532809543 /nfs/dbraw/zinc/80/95/43/532809543.db2.gz BWIKPOCYIFUDGB-NOZJJQNGSA-N 1 2 385.237 2.316 20 0 GEADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ncc(Br)cn3)[nH+]cn2)C1 ZINC000413307690 532809922 /nfs/dbraw/zinc/80/99/22/532809922.db2.gz YYYQISLTLHMHKP-QJPTWQEYSA-N 1 2 393.289 2.409 20 0 GEADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ncc(Br)cn3)nc[nH+]2)C1 ZINC000413307690 532809925 /nfs/dbraw/zinc/80/99/25/532809925.db2.gz YYYQISLTLHMHKP-QJPTWQEYSA-N 1 2 393.289 2.409 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@]2(O)CCOC2)CC1 ZINC000413357186 532810689 /nfs/dbraw/zinc/81/06/89/532810689.db2.gz DBRAWNCLMGITEC-SJLPKXTDSA-N 1 2 397.313 2.196 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000550010700 532797383 /nfs/dbraw/zinc/79/73/83/532797383.db2.gz TXRVTFLHQGKEFA-UHFFFAOYSA-N 1 2 384.318 2.356 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000550010700 532797385 /nfs/dbraw/zinc/79/73/85/532797385.db2.gz TXRVTFLHQGKEFA-UHFFFAOYSA-N 1 2 384.318 2.356 20 0 GEADLO CCn1cncc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328865519 532799497 /nfs/dbraw/zinc/79/94/97/532799497.db2.gz WLAGUHCLRYVHOJ-HOCLYGCPSA-N 1 2 386.880 2.419 20 0 GEADLO CCn1cncc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328865519 532799500 /nfs/dbraw/zinc/79/95/00/532799500.db2.gz WLAGUHCLRYVHOJ-HOCLYGCPSA-N 1 2 386.880 2.419 20 0 GEADLO CCn1cc[nH+]c1[C@@H](NS(=O)(=O)c1nc(C)c(C)s1)C1CCOCC1 ZINC000328993468 532801340 /nfs/dbraw/zinc/80/13/40/532801340.db2.gz TVKPRAVASFUWNN-AWEZNQCLSA-N 1 2 384.527 2.423 20 0 GEADLO O=C(c1[nH]nc2ccc(Br)cc21)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000551912441 532802188 /nfs/dbraw/zinc/80/21/88/532802188.db2.gz CIWCVBTUUGNGGJ-UHFFFAOYSA-N 1 2 375.230 2.011 20 0 GEADLO O=S(=O)(NCC[NH+]1CCSCC1)c1cccc(Br)c1Cl ZINC000556367191 532811193 /nfs/dbraw/zinc/81/11/93/532811193.db2.gz CGZKQMBOIUDGIE-UHFFFAOYSA-N 1 2 399.763 2.430 20 0 GEADLO Cc1nn2cc(S(=O)(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)cnc2c1Cl ZINC000329143961 532802947 /nfs/dbraw/zinc/80/29/47/532802947.db2.gz VYNAXALGKWUPFN-LBPRGKRZSA-N 1 2 380.861 2.330 20 0 GEADLO COc1sc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1Br ZINC000271166724 532803819 /nfs/dbraw/zinc/80/38/19/532803819.db2.gz HUUROKYLIYCCNN-SECBINFHSA-N 1 2 383.333 2.020 20 0 GEADLO COc1sc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1Br ZINC000271166724 532803822 /nfs/dbraw/zinc/80/38/22/532803822.db2.gz HUUROKYLIYCCNN-SECBINFHSA-N 1 2 383.333 2.020 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](Cc3nc(-c4cccc(Br)c4)c[nH]3)C[C@H]12 ZINC000329289217 532804897 /nfs/dbraw/zinc/80/48/97/532804897.db2.gz QBWKOQYODDINHG-CYBMUJFWSA-N 1 2 390.241 2.416 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](Cc3nc(-c4cccc(Br)c4)c[nH]3)C[C@H]12 ZINC000329289217 532804898 /nfs/dbraw/zinc/80/48/98/532804898.db2.gz QBWKOQYODDINHG-CYBMUJFWSA-N 1 2 390.241 2.416 20 0 GEADLO O=S1(=O)CCC(O)(C[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000330249333 532816510 /nfs/dbraw/zinc/81/65/10/532816510.db2.gz ZUBLZFBNRQTFSC-HNNXBMFYSA-N 1 2 375.943 2.370 20 0 GEADLO O=S1(=O)CCC(O)(C[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000330249333 532816512 /nfs/dbraw/zinc/81/65/12/532816512.db2.gz ZUBLZFBNRQTFSC-HNNXBMFYSA-N 1 2 375.943 2.370 20 0 GEADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2cnc3ccsc3c2)C1 ZINC000330257605 532816576 /nfs/dbraw/zinc/81/65/76/532816576.db2.gz LRKLJCDUCTZEAE-AWEZNQCLSA-N 1 2 381.523 2.028 20 0 GEADLO C[N@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2cnc3ccsc3c2)C1 ZINC000330257605 532816578 /nfs/dbraw/zinc/81/65/78/532816578.db2.gz LRKLJCDUCTZEAE-AWEZNQCLSA-N 1 2 381.523 2.028 20 0 GEADLO O=S(=O)(CCC1CCOCC1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000330301780 532816739 /nfs/dbraw/zinc/81/67/39/532816739.db2.gz NZCOJQGDIFUJBD-UHFFFAOYSA-N 1 2 386.945 2.434 20 0 GEADLO O=S(=O)(CCC1CCOCC1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000330301780 532816740 /nfs/dbraw/zinc/81/67/40/532816740.db2.gz NZCOJQGDIFUJBD-UHFFFAOYSA-N 1 2 386.945 2.434 20 0 GEADLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414065070 532818601 /nfs/dbraw/zinc/81/86/01/532818601.db2.gz FJWBEYLJIXTOJJ-GHMZBOCLSA-N 1 2 383.495 2.250 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[N@@H+]1C[C@@H](C)O ZINC000330478885 532818962 /nfs/dbraw/zinc/81/89/62/532818962.db2.gz NJZADCVESFTLCQ-MNOVXSKESA-N 1 2 382.860 2.084 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[N@H+]1C[C@@H](C)O ZINC000330478885 532818963 /nfs/dbraw/zinc/81/89/63/532818963.db2.gz NJZADCVESFTLCQ-MNOVXSKESA-N 1 2 382.860 2.084 20 0 GEADLO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc(Br)c1OC ZINC000330477034 532819164 /nfs/dbraw/zinc/81/91/64/532819164.db2.gz VWABLRZBLAJDLF-CYBMUJFWSA-N 1 2 399.285 2.013 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[N@@H+]1C[C@@H](C)O ZINC000330478884 532819426 /nfs/dbraw/zinc/81/94/26/532819426.db2.gz NJZADCVESFTLCQ-GHMZBOCLSA-N 1 2 382.860 2.084 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[N@H+]1C[C@@H](C)O ZINC000330478884 532819428 /nfs/dbraw/zinc/81/94/28/532819428.db2.gz NJZADCVESFTLCQ-GHMZBOCLSA-N 1 2 382.860 2.084 20 0 GEADLO CC[C@H](O)CCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273410415 532823697 /nfs/dbraw/zinc/82/36/97/532823697.db2.gz CVDIYHVSJBAYCL-AWEZNQCLSA-N 1 2 383.290 2.408 20 0 GEADLO COc1ccc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)nn1 ZINC000273271056 532821842 /nfs/dbraw/zinc/82/18/42/532821842.db2.gz JNBDSLZJKKKMPR-UHFFFAOYSA-N 1 2 390.241 2.176 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N(C)CC[C@@H](C)O)[nH+]c12 ZINC000273419498 532823516 /nfs/dbraw/zinc/82/35/16/532823516.db2.gz GPBXLKLXBIPPBG-GFCCVEGCSA-N 1 2 383.290 2.360 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@]3(C)CCOC3)[nH+]c12 ZINC000273418234 532823574 /nfs/dbraw/zinc/82/35/74/532823574.db2.gz GEFZEXDIAVUNPD-MRXNPFEDSA-N 1 2 381.274 2.426 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3C=C[C@H](CO)C3)[nH+]c12 ZINC000273438900 532824198 /nfs/dbraw/zinc/82/41/98/532824198.db2.gz VXFGSWKSWLYWBW-GXTWGEPZSA-N 1 2 393.285 2.184 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H]([C@H](C)O)C3)[nH+]c12 ZINC000273582380 532827008 /nfs/dbraw/zinc/82/70/08/532827008.db2.gz PJAZZJGVYJFRKK-STQMWFEESA-N 1 2 395.301 2.360 20 0 GEADLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(Br)o2)C[C@@H](C)O1 ZINC000330799318 532827019 /nfs/dbraw/zinc/82/70/19/532827019.db2.gz BTQWCVORSIFQDR-GHMZBOCLSA-N 1 2 395.319 2.208 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N(C)[C@@H]3CCOC3)[nH+]c12 ZINC000273596093 532827706 /nfs/dbraw/zinc/82/77/06/532827706.db2.gz WDUJLIGDWRBHJC-CQSZACIVSA-N 1 2 381.274 2.378 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC[C@H](NC(=O)NC4CC4)C3)c[nH+]c12 ZINC000273696134 532831368 /nfs/dbraw/zinc/83/13/68/532831368.db2.gz CHCKFJXPSLRWGI-AWEZNQCLSA-N 1 2 392.301 2.441 20 0 GEADLO CC(C)[N@@H+]1CCc2nc(CN3CCC4(CCC4)S(=O)(=O)CC3)sc2C1 ZINC000414530451 532831570 /nfs/dbraw/zinc/83/15/70/532831570.db2.gz XMTWJJHAWXJKCL-UHFFFAOYSA-N 1 2 383.583 2.453 20 0 GEADLO CC(C)[N@H+]1CCc2nc(CN3CCC4(CCC4)S(=O)(=O)CC3)sc2C1 ZINC000414530451 532831573 /nfs/dbraw/zinc/83/15/73/532831573.db2.gz XMTWJJHAWXJKCL-UHFFFAOYSA-N 1 2 383.583 2.453 20 0 GEADLO O=S(=O)(CC[NH+]1CCC(O)(C(F)F)CC1)c1ccc(Br)cc1 ZINC000331146958 532834301 /nfs/dbraw/zinc/83/43/01/532834301.db2.gz MJXCKFSBXJGZMH-UHFFFAOYSA-N 1 2 398.269 2.315 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000331139690 532834014 /nfs/dbraw/zinc/83/40/14/532834014.db2.gz DVBAJHYMLXTUBG-PWSUYJOCSA-N 1 2 394.324 2.334 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000331139690 532834016 /nfs/dbraw/zinc/83/40/16/532834016.db2.gz DVBAJHYMLXTUBG-PWSUYJOCSA-N 1 2 394.324 2.334 20 0 GEADLO COc1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)nc1Br ZINC000273816161 532835284 /nfs/dbraw/zinc/83/52/84/532835284.db2.gz ITUJWUPCJCBERQ-GFCCVEGCSA-N 1 2 381.230 2.438 20 0 GEADLO COc1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)nc1Br ZINC000273816161 532835288 /nfs/dbraw/zinc/83/52/88/532835288.db2.gz ITUJWUPCJCBERQ-GFCCVEGCSA-N 1 2 381.230 2.438 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000331385811 532838803 /nfs/dbraw/zinc/83/88/03/532838803.db2.gz HQCBCSGTSDYBEW-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000331385811 532838806 /nfs/dbraw/zinc/83/88/06/532838806.db2.gz HQCBCSGTSDYBEW-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCCc3cnn(C)c3)[nH+]c12 ZINC000273985366 532838897 /nfs/dbraw/zinc/83/88/97/532838897.db2.gz NZDUUYATENKQBJ-UHFFFAOYSA-N 1 2 391.273 2.181 20 0 GEADLO Cc1nnc([C@@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC000273989267 532839038 /nfs/dbraw/zinc/83/90/38/532839038.db2.gz OIALSPZLZFHKAH-YPMHNXCESA-N 1 2 381.527 2.342 20 0 GEADLO C[C@@H](CCC[NH3+])NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000415244827 532839863 /nfs/dbraw/zinc/83/98/63/532839863.db2.gz NRTHJMKHDSCPNQ-NSHDSACASA-N 1 2 383.499 2.193 20 0 GEADLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)o2)C1 ZINC000331439913 532839935 /nfs/dbraw/zinc/83/99/35/532839935.db2.gz XIADCZPJTGAUEX-LLVKDONJSA-N 1 2 388.287 2.419 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C(N)=O)C(C)(C)C)[nH+]c12 ZINC000274134350 532841701 /nfs/dbraw/zinc/84/17/01/532841701.db2.gz CZYIAIFKGJBREM-GFCCVEGCSA-N 1 2 396.289 2.104 20 0 GEADLO CN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274175420 532842862 /nfs/dbraw/zinc/84/28/62/532842862.db2.gz ACZZKRFOWUVQOC-UHFFFAOYSA-N 1 2 382.404 2.074 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c(C)c1F ZINC000328634255 206236212 /nfs/dbraw/zinc/23/62/12/206236212.db2.gz TXHKPAUMEADJHI-IUODEOHRSA-N 1 2 383.445 2.075 20 0 GEADLO CCOc1cc(CN2CCn3cc(C)[nH+]c3C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000359894296 206267033 /nfs/dbraw/zinc/26/70/33/206267033.db2.gz FWQCBCHLLUAGGT-INIZCTEOSA-N 1 2 386.496 2.462 20 0 GEADLO COC(=O)c1ccccc1-n1ncc(N2CCn3cc(C)[nH+]c3C2)c(Cl)c1=O ZINC000359992693 206276985 /nfs/dbraw/zinc/27/69/85/206276985.db2.gz ICYPHDHOPPUXLM-UHFFFAOYSA-N 1 2 399.838 2.198 20 0 GEADLO COc1cccc(N2CC[NH+](C[C@H](O)COc3cccc(C(C)=O)c3)CC2)c1 ZINC000030380423 206304092 /nfs/dbraw/zinc/30/40/92/206304092.db2.gz MGYKILFGZRQEFK-FQEVSTJZSA-N 1 2 384.476 2.460 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000289032849 532845187 /nfs/dbraw/zinc/84/51/87/532845187.db2.gz MZRIRJRAPDKMLJ-AAEUAGOBSA-N 1 2 386.279 2.254 20 0 GEADLO COc1cc(C)c(Br)cc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000274261309 532846281 /nfs/dbraw/zinc/84/62/81/532846281.db2.gz WWZOLHJIZLWFAE-GFCCVEGCSA-N 1 2 385.306 2.133 20 0 GEADLO COc1cc(C)c(Br)cc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000274261309 532846284 /nfs/dbraw/zinc/84/62/84/532846284.db2.gz WWZOLHJIZLWFAE-GFCCVEGCSA-N 1 2 385.306 2.133 20 0 GEADLO CC[C@@H](C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)N1CCCC1=O ZINC000274260313 532846721 /nfs/dbraw/zinc/84/67/21/532846721.db2.gz VBOIDUCJGNRYSX-AWEZNQCLSA-N 1 2 393.285 2.422 20 0 GEADLO CO[C@@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)[C@@H](C[NH3+])C1 ZINC000415484653 532847124 /nfs/dbraw/zinc/84/71/24/532847124.db2.gz NUUOUSGSJSWHNC-CHWSQXEVSA-N 1 2 381.889 2.250 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000289192337 532849640 /nfs/dbraw/zinc/84/96/40/532849640.db2.gz UFMWOOXXJOROJK-WCQYABFASA-N 1 2 386.279 2.254 20 0 GEADLO O=C(c1cccc(Br)c1Cl)N1CC[NH+](CCn2cncn2)CC1 ZINC000332301221 532852049 /nfs/dbraw/zinc/85/20/49/532852049.db2.gz PYWSOUOXQQCGHL-UHFFFAOYSA-N 1 2 398.692 2.152 20 0 GEADLO C[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H](C)S1(=O)=O ZINC000289445367 532855114 /nfs/dbraw/zinc/85/51/14/532855114.db2.gz GJRQNMPXNLLEJM-BETUJISGSA-N 1 2 386.543 2.168 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000289500779 532856647 /nfs/dbraw/zinc/85/66/47/532856647.db2.gz SWDIBJPMBAADQH-UHFFFAOYSA-N 1 2 379.295 2.492 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289552494 532858464 /nfs/dbraw/zinc/85/84/64/532858464.db2.gz XGQWGTNVMDAQEU-WDEREUQCSA-N 1 2 394.273 2.067 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289552494 532858467 /nfs/dbraw/zinc/85/84/67/532858467.db2.gz XGQWGTNVMDAQEU-WDEREUQCSA-N 1 2 394.273 2.067 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1ccc(C)cc1Br ZINC000274873079 532858512 /nfs/dbraw/zinc/85/85/12/532858512.db2.gz ZTTLPFQIDXZGMH-HNNXBMFYSA-N 1 2 394.269 2.314 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1ccc(C)cc1Br ZINC000274873079 532858515 /nfs/dbraw/zinc/85/85/15/532858515.db2.gz ZTTLPFQIDXZGMH-HNNXBMFYSA-N 1 2 394.269 2.314 20 0 GEADLO CN(CC[NH+]1CCOCC1)Cc1ncc(Br)cc1Br ZINC000274898022 532859214 /nfs/dbraw/zinc/85/92/14/532859214.db2.gz LYFRGHVDZLAKKJ-UHFFFAOYSA-N 1 2 393.123 2.371 20 0 GEADLO Cn1c(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)nc2ccc(Br)cc21 ZINC000275011951 532861290 /nfs/dbraw/zinc/86/12/90/532861290.db2.gz QLBGGWXZDNUHIZ-CYBMUJFWSA-N 1 2 392.301 2.372 20 0 GEADLO Cn1c(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)nc2ccc(Br)cc21 ZINC000275011951 532861291 /nfs/dbraw/zinc/86/12/91/532861291.db2.gz QLBGGWXZDNUHIZ-CYBMUJFWSA-N 1 2 392.301 2.372 20 0 GEADLO O=C1[C@@H]([NH+]2CCC(Oc3cncc(Cl)n3)CC2)CCN1CC(F)(F)F ZINC000275055351 532862574 /nfs/dbraw/zinc/86/25/74/532862574.db2.gz MZNXPJLKTMFDCG-NSHDSACASA-N 1 2 378.782 2.136 20 0 GEADLO COCC[NH+]1CCN(C(=O)C2(c3cc(Br)ccc3OC)CC2)CC1 ZINC000416157826 532865570 /nfs/dbraw/zinc/86/55/70/532865570.db2.gz JMAALTTYHRSLTP-UHFFFAOYSA-N 1 2 397.313 2.280 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(I)c1)c1nncn1C ZINC000275186331 532868072 /nfs/dbraw/zinc/86/80/72/532868072.db2.gz OCRJPRYWYQUKHB-ZJUUUORDSA-N 1 2 399.236 2.098 20 0 GEADLO O=S1(=O)CC[C@H](N2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)CC2)C1 ZINC000333532582 532870346 /nfs/dbraw/zinc/87/03/46/532870346.db2.gz JJPIHQXIXBOBNJ-LBPRGKRZSA-N 1 2 383.876 2.336 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000333662778 532871337 /nfs/dbraw/zinc/87/13/37/532871337.db2.gz MKXIDYJECMMWAU-AWEZNQCLSA-N 1 2 383.290 2.481 20 0 GEADLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000290093152 532872311 /nfs/dbraw/zinc/87/23/11/532872311.db2.gz ZSISRZQGEDFJPP-NEPJUHHUSA-N 1 2 380.290 2.423 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[nH+]c12 ZINC000290323458 532877912 /nfs/dbraw/zinc/87/79/12/532877912.db2.gz AYRDBODGWRXIIU-TUKIKUTGSA-N 1 2 394.269 2.073 20 0 GEADLO Cc1csc([C@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C(F)(F)F)n1 ZINC000417181746 532879112 /nfs/dbraw/zinc/87/91/12/532879112.db2.gz PXIWLEFXYFDSJN-NSHDSACASA-N 1 2 380.436 2.465 20 0 GEADLO O=C(NCc1[nH]cc[nH+]1)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC000417447831 532879763 /nfs/dbraw/zinc/87/97/63/532879763.db2.gz RUJDSLMLGFWVOK-UHFFFAOYSA-N 1 2 398.236 2.470 20 0 GEADLO CC(=O)NCC1CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000290420635 532880578 /nfs/dbraw/zinc/88/05/78/532880578.db2.gz MFVAQBDJFKQZPM-UHFFFAOYSA-N 1 2 392.301 2.378 20 0 GEADLO COCCC[N@H+](CCO)Cc1ncc(Br)cc1Br ZINC000275687322 532881402 /nfs/dbraw/zinc/88/14/02/532881402.db2.gz AIXOPCFPYKXVTR-UHFFFAOYSA-N 1 2 382.096 2.437 20 0 GEADLO COCCC[N@@H+](CCO)Cc1ncc(Br)cc1Br ZINC000275687322 532881403 /nfs/dbraw/zinc/88/14/03/532881403.db2.gz AIXOPCFPYKXVTR-UHFFFAOYSA-N 1 2 382.096 2.437 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000420951366 532887890 /nfs/dbraw/zinc/88/78/90/532887890.db2.gz QSCTVAAYMVQMEF-MELADBBJSA-N 1 2 384.464 2.075 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H](CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000420951366 532887894 /nfs/dbraw/zinc/88/78/94/532887894.db2.gz QSCTVAAYMVQMEF-MELADBBJSA-N 1 2 384.464 2.075 20 0 GEADLO CCOCc1nc([C@@H](C)Nc2[nH+]cnc3c2c(Br)nn3C)no1 ZINC000290581718 532884714 /nfs/dbraw/zinc/88/47/14/532884714.db2.gz CAUPLEBDWGQPSW-SSDOTTSWSA-N 1 2 382.222 2.218 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420928105 532887907 /nfs/dbraw/zinc/88/79/07/532887907.db2.gz CANGIDOXUDLNGW-BBRMVZONSA-N 1 2 399.329 2.268 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420928105 532887908 /nfs/dbraw/zinc/88/79/08/532887908.db2.gz CANGIDOXUDLNGW-BBRMVZONSA-N 1 2 399.329 2.268 20 0 GEADLO COc1nc(N2CC[NH+](Cc3ccc(F)cn3)CC2)ncc1Br ZINC000276170324 532890273 /nfs/dbraw/zinc/89/02/73/532890273.db2.gz FILSHXAALRJTOW-UHFFFAOYSA-N 1 2 382.237 2.104 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2ccncc2Br)CCN1C ZINC000276066442 532888805 /nfs/dbraw/zinc/88/88/05/532888805.db2.gz UGYJWNRVVOVLLU-CYBMUJFWSA-N 1 2 379.262 2.098 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)NCCc1ccc(I)s1 ZINC000290899222 532892233 /nfs/dbraw/zinc/89/22/33/532892233.db2.gz UZBCTGPOPDVNMT-UHFFFAOYSA-N 1 2 390.250 2.128 20 0 GEADLO COC(=O)CCCCCS(=O)(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000276178189 532890475 /nfs/dbraw/zinc/89/04/75/532890475.db2.gz ACFYGGSRASVUHK-CQSZACIVSA-N 1 2 388.555 2.148 20 0 GEADLO COC(=O)CCCCCS(=O)(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000276178189 532890477 /nfs/dbraw/zinc/89/04/77/532890477.db2.gz ACFYGGSRASVUHK-CQSZACIVSA-N 1 2 388.555 2.148 20 0 GEADLO [NH3+][C@H](C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1)c1cscn1 ZINC000423067502 532893050 /nfs/dbraw/zinc/89/30/50/532893050.db2.gz HIMWSFBMMSHAIM-HNNXBMFYSA-N 1 2 378.885 2.171 20 0 GEADLO C[C@@]1(NC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CCS(=O)(=O)C1 ZINC000361956053 532894345 /nfs/dbraw/zinc/89/43/45/532894345.db2.gz CCFZXYZIOSQJHO-MRXNPFEDSA-N 1 2 390.958 2.307 20 0 GEADLO C[C@@H]1C[N@H+](CCSc2ccc(S(=O)(=O)N3CCCCC3)cn2)CCO1 ZINC000276381265 532894641 /nfs/dbraw/zinc/89/46/41/532894641.db2.gz SNOFIGCTNKQSPQ-OAHLLOKOSA-N 1 2 385.555 2.069 20 0 GEADLO C[C@@H]1C[N@@H+](CCSc2ccc(S(=O)(=O)N3CCCCC3)cn2)CCO1 ZINC000276381265 532894643 /nfs/dbraw/zinc/89/46/43/532894643.db2.gz SNOFIGCTNKQSPQ-OAHLLOKOSA-N 1 2 385.555 2.069 20 0 GEADLO O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023732100 207281237 /nfs/dbraw/zinc/28/12/37/207281237.db2.gz VYFGYGGVTFSJLR-UHFFFAOYSA-N 1 2 392.459 2.327 20 0 GEADLO Cc1cc(N2C[C@@H](C(=O)NCc3c[nH+]cn3C)CC2=O)ccc1Br ZINC000291188575 532898140 /nfs/dbraw/zinc/89/81/40/532898140.db2.gz CQSNBIKGWIVBNY-LBPRGKRZSA-N 1 2 391.269 2.160 20 0 GEADLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)N(C)C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363692277 532900042 /nfs/dbraw/zinc/90/00/42/532900042.db2.gz VDJHXFRQLDYDOK-GDBMZVCRSA-N 1 2 379.448 2.414 20 0 GEADLO CC[N@H+]1CC[C@@H](NS(=O)(=O)N(C)C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363692277 532900043 /nfs/dbraw/zinc/90/00/43/532900043.db2.gz VDJHXFRQLDYDOK-GDBMZVCRSA-N 1 2 379.448 2.414 20 0 GEADLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cc(F)c(Br)cc1F)CC2 ZINC000363687898 532900126 /nfs/dbraw/zinc/90/01/26/532900126.db2.gz KQXRYNSSJLMPGA-UHFFFAOYSA-N 1 2 392.225 2.437 20 0 GEADLO COc1cncc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000276571865 532898510 /nfs/dbraw/zinc/89/85/10/532898510.db2.gz AWUYMGIKDCCVIB-UHFFFAOYSA-N 1 2 390.241 2.176 20 0 GEADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1sc2ccccc2c1Br ZINC000291204209 532898525 /nfs/dbraw/zinc/89/85/25/532898525.db2.gz GKVBFIURRJTOSD-NSHDSACASA-N 1 2 380.311 2.393 20 0 GEADLO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291218199 532898539 /nfs/dbraw/zinc/89/85/39/532898539.db2.gz GLKNSMYVXURPBA-CYBMUJFWSA-N 1 2 381.523 2.401 20 0 GEADLO O=C(c1ccnc(Cl)c1I)N1CCn2c[nH+]cc2C1 ZINC000291260379 532898971 /nfs/dbraw/zinc/89/89/71/532898971.db2.gz YRFZZUYGDCOIMM-UHFFFAOYSA-N 1 2 388.596 2.192 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000291467636 532902394 /nfs/dbraw/zinc/90/23/94/532902394.db2.gz OMLAFCNQASLNJA-LLVKDONJSA-N 1 2 392.880 2.038 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000291467636 532902396 /nfs/dbraw/zinc/90/23/96/532902396.db2.gz OMLAFCNQASLNJA-LLVKDONJSA-N 1 2 392.880 2.038 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000291472597 532902556 /nfs/dbraw/zinc/90/25/56/532902556.db2.gz DYUYKXQRYVLOFY-AWEZNQCLSA-N 1 2 378.416 2.411 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000291472597 532902557 /nfs/dbraw/zinc/90/25/57/532902557.db2.gz DYUYKXQRYVLOFY-AWEZNQCLSA-N 1 2 378.416 2.411 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)CSCC(=O)Nc1cccc(Br)c1 ZINC000291384553 532900809 /nfs/dbraw/zinc/90/08/09/532900809.db2.gz HHXQQIMFZBEZTB-UHFFFAOYSA-N 1 2 397.298 2.171 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)NC[C@@H](CO)Cc1ccccc1Br ZINC000276932196 532903813 /nfs/dbraw/zinc/90/38/13/532903813.db2.gz AHZRMXONMICKSV-AWEZNQCLSA-N 1 2 395.301 2.186 20 0 GEADLO COC(=O)c1sc(N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)nc1Cl ZINC000364292398 532905726 /nfs/dbraw/zinc/90/57/26/532905726.db2.gz UZDGVDQGZDODGX-UHFFFAOYSA-N 1 2 388.921 2.010 20 0 GEADLO COC(=O)c1sc(N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)nc1Cl ZINC000364292398 532905728 /nfs/dbraw/zinc/90/57/28/532905728.db2.gz UZDGVDQGZDODGX-UHFFFAOYSA-N 1 2 388.921 2.010 20 0 GEADLO Cn1cc(Br)cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1=O ZINC000364312412 532906107 /nfs/dbraw/zinc/90/61/07/532906107.db2.gz YBVRHVLDZOASSK-UHFFFAOYSA-N 1 2 380.246 2.282 20 0 GEADLO Cn1cc(Br)cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1=O ZINC000364312412 532906109 /nfs/dbraw/zinc/90/61/09/532906109.db2.gz YBVRHVLDZOASSK-UHFFFAOYSA-N 1 2 380.246 2.282 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1nc(C2CC2)ncc1Br ZINC000291673008 532906583 /nfs/dbraw/zinc/90/65/83/532906583.db2.gz CVHXUEWOOOJUMJ-DGCLKSJQSA-N 1 2 395.301 2.052 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000365406458 532910720 /nfs/dbraw/zinc/91/07/20/532910720.db2.gz ZUKQDQUAJKOCBQ-IJLUTSLNSA-N 1 2 388.331 2.386 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000291745308 532908131 /nfs/dbraw/zinc/90/81/31/532908131.db2.gz SEGCOLOSMUCHLA-NSHDSACASA-N 1 2 384.445 2.110 20 0 GEADLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000364712193 532908212 /nfs/dbraw/zinc/90/82/12/532908212.db2.gz SHPMCQOXBVQGIC-SNVBAGLBSA-N 1 2 375.288 2.327 20 0 GEADLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000364712193 532908213 /nfs/dbraw/zinc/90/82/13/532908213.db2.gz SHPMCQOXBVQGIC-SNVBAGLBSA-N 1 2 375.288 2.327 20 0 GEADLO CSc1nc2ncnc(NC[C@]3([NH+]4CCOCC4)CCSC3)c2s1 ZINC000364844865 532908443 /nfs/dbraw/zinc/90/84/43/532908443.db2.gz SXIXOVXBNVGEQP-OAHLLOKOSA-N 1 2 383.568 2.428 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000291808541 532908885 /nfs/dbraw/zinc/90/88/85/532908885.db2.gz HPRGGJOKYRYFRW-OAHLLOKOSA-N 1 2 379.258 2.466 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1c(F)ccc(Br)c1F ZINC000365507790 532911058 /nfs/dbraw/zinc/91/10/58/532911058.db2.gz JSFFCVOCNVRWDH-JTQLQIEISA-N 1 2 375.213 2.320 20 0 GEADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1c(F)ccc(Br)c1F ZINC000365507790 532911060 /nfs/dbraw/zinc/91/10/60/532911060.db2.gz JSFFCVOCNVRWDH-JTQLQIEISA-N 1 2 375.213 2.320 20 0 GEADLO C[C@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000292382791 532915863 /nfs/dbraw/zinc/91/58/63/532915863.db2.gz XMZHOOYNWXYIHI-WFASDCNBSA-N 1 2 380.432 2.359 20 0 GEADLO C[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000292382791 532915865 /nfs/dbraw/zinc/91/58/65/532915865.db2.gz XMZHOOYNWXYIHI-WFASDCNBSA-N 1 2 380.432 2.359 20 0 GEADLO Cc1ccc(Br)c(C(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)c1 ZINC000366297773 532915985 /nfs/dbraw/zinc/91/59/85/532915985.db2.gz MVVKSCUBLJYJEF-SFHVURJKSA-N 1 2 397.313 2.369 20 0 GEADLO COc1ccc(-c2nc(C[N@H+](C)[C@H]3CCN(S(C)(=O)=O)C3)cs2)cc1 ZINC000292134861 532913786 /nfs/dbraw/zinc/91/37/86/532913786.db2.gz IYNJHYPZTSQQMU-HNNXBMFYSA-N 1 2 381.523 2.284 20 0 GEADLO COc1ccc(-c2nc(C[N@@H+](C)[C@H]3CCN(S(C)(=O)=O)C3)cs2)cc1 ZINC000292134861 532913787 /nfs/dbraw/zinc/91/37/87/532913787.db2.gz IYNJHYPZTSQQMU-HNNXBMFYSA-N 1 2 381.523 2.284 20 0 GEADLO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC(CS(C)(=O)=O)CC2)c1 ZINC000292249696 532914511 /nfs/dbraw/zinc/91/45/11/532914511.db2.gz XPQLUNBDNDHQCM-OAHLLOKOSA-N 1 2 375.918 2.145 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000292279823 532914711 /nfs/dbraw/zinc/91/47/11/532914711.db2.gz JNWUDVAKQPZSPA-CQSZACIVSA-N 1 2 396.329 2.223 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000292279823 532914713 /nfs/dbraw/zinc/91/47/13/532914713.db2.gz JNWUDVAKQPZSPA-CQSZACIVSA-N 1 2 396.329 2.223 20 0 GEADLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)NCCc1ccc(Cl)cc1 ZINC000366398489 532916950 /nfs/dbraw/zinc/91/69/50/532916950.db2.gz BRNYGIKPKCQCPZ-QGZVFWFLSA-N 1 2 386.945 2.288 20 0 GEADLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CC(=O)NCCc1ccc(Cl)cc1 ZINC000366398489 532916952 /nfs/dbraw/zinc/91/69/52/532916952.db2.gz BRNYGIKPKCQCPZ-QGZVFWFLSA-N 1 2 386.945 2.288 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(C)c(Br)cc1F ZINC000292780596 532918327 /nfs/dbraw/zinc/91/83/27/532918327.db2.gz WGGJHTJUQFGUGB-AWEZNQCLSA-N 1 2 383.221 2.306 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(C)c(Br)cc1F ZINC000292780596 532918328 /nfs/dbraw/zinc/91/83/28/532918328.db2.gz WGGJHTJUQFGUGB-AWEZNQCLSA-N 1 2 383.221 2.306 20 0 GEADLO COC(=O)N1CCN(c2ccc(Nc3ncncc3Br)c[nH+]2)CC1 ZINC000292840463 532919234 /nfs/dbraw/zinc/91/92/34/532919234.db2.gz QOQOQADXDMQVAE-UHFFFAOYSA-N 1 2 393.245 2.266 20 0 GEADLO Cn1cc(Br)c(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)n1 ZINC000292862144 532919312 /nfs/dbraw/zinc/91/93/12/532919312.db2.gz GVPGHDWLAXXDDW-TXEJJXNPSA-N 1 2 385.306 2.481 20 0 GEADLO Cn1cc(Br)c(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)n1 ZINC000292862144 532919314 /nfs/dbraw/zinc/91/93/14/532919314.db2.gz GVPGHDWLAXXDDW-TXEJJXNPSA-N 1 2 385.306 2.481 20 0 GEADLO C[S@@](=O)c1ccc(CC(=O)NC2CC[NH+](Cc3cscn3)CC2)cc1 ZINC000366632599 532919691 /nfs/dbraw/zinc/91/96/91/532919691.db2.gz IKFZSWCIOFPZBU-RUZDIDTESA-N 1 2 377.535 2.204 20 0 GEADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1cc(Br)cn(C)c1=O)CCC2 ZINC000366734125 532920939 /nfs/dbraw/zinc/92/09/39/532920939.db2.gz VUBICLKTPYCAAO-NSHDSACASA-N 1 2 394.273 2.352 20 0 GEADLO O=C1CO[C@@H]2CC[N@@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@@H]2N1 ZINC000366762115 532920996 /nfs/dbraw/zinc/92/09/96/532920996.db2.gz WIOCNRDEEJBVLN-UONOGXRCSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@@H]2CC[N@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@@H]2N1 ZINC000366762115 532920997 /nfs/dbraw/zinc/92/09/97/532920997.db2.gz WIOCNRDEEJBVLN-UONOGXRCSA-N 1 2 392.253 2.193 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cccc(F)c1Br ZINC000293079713 532921657 /nfs/dbraw/zinc/92/16/57/532921657.db2.gz NARQPQMOMZGKTM-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000367213257 532923397 /nfs/dbraw/zinc/92/33/97/532923397.db2.gz MZYHRPPJKPQOPF-LBPRGKRZSA-N 1 2 379.917 2.612 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000367213257 532923399 /nfs/dbraw/zinc/92/33/99/532923399.db2.gz MZYHRPPJKPQOPF-LBPRGKRZSA-N 1 2 379.917 2.612 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000293268276 532924625 /nfs/dbraw/zinc/92/46/25/532924625.db2.gz JDKPOWFETBYJQW-DOMZBBRYSA-N 1 2 376.316 2.239 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000293268276 532924627 /nfs/dbraw/zinc/92/46/27/532924627.db2.gz JDKPOWFETBYJQW-DOMZBBRYSA-N 1 2 376.316 2.239 20 0 GEADLO Cc1nc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000367746446 532927162 /nfs/dbraw/zinc/92/71/62/532927162.db2.gz GLNKSTPCMDCARG-VNHYZAJKSA-N 1 2 387.933 2.306 20 0 GEADLO Cc1nc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000367746446 532927164 /nfs/dbraw/zinc/92/71/64/532927164.db2.gz GLNKSTPCMDCARG-VNHYZAJKSA-N 1 2 387.933 2.306 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1O ZINC000293538786 532928453 /nfs/dbraw/zinc/92/84/53/532928453.db2.gz CQAOCCCSSBEYSB-CYBMUJFWSA-N 1 2 397.273 2.084 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1O ZINC000293538786 532928455 /nfs/dbraw/zinc/92/84/55/532928455.db2.gz CQAOCCCSSBEYSB-CYBMUJFWSA-N 1 2 397.273 2.084 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1ccncc1I ZINC000368428812 532932134 /nfs/dbraw/zinc/93/21/34/532932134.db2.gz ISMRNCJAEAXKES-LBPRGKRZSA-N 1 2 382.205 2.397 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1cncc(I)c1 ZINC000368433892 532932173 /nfs/dbraw/zinc/93/21/73/532932173.db2.gz NRJYKOCWKFPLDC-GFCCVEGCSA-N 1 2 382.205 2.397 20 0 GEADLO C[C@H]1[C@@H]([NH2+]Cc2c(Br)cncc2Br)CCS1(=O)=O ZINC000293806568 532931625 /nfs/dbraw/zinc/93/16/25/532931625.db2.gz DRZQBXKHCLLKQZ-CPCISQLKSA-N 1 2 398.120 2.272 20 0 GEADLO O=C(C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1)NCc1ccc(Cl)s1 ZINC000368875935 532935122 /nfs/dbraw/zinc/93/51/22/532935122.db2.gz IMVKFVXNFTZGLQ-UHFFFAOYSA-N 1 2 380.901 2.194 20 0 GEADLO O=C(C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1)NCc1ccc(Cl)s1 ZINC000368875935 532935123 /nfs/dbraw/zinc/93/51/23/532935123.db2.gz IMVKFVXNFTZGLQ-UHFFFAOYSA-N 1 2 380.901 2.194 20 0 GEADLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)OC)s3)sc2C1 ZINC000368917803 532935474 /nfs/dbraw/zinc/93/54/74/532935474.db2.gz SXARJGCLURLOQZ-UHFFFAOYSA-N 1 2 387.508 2.170 20 0 GEADLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)OC)s3)sc2C1 ZINC000368917803 532935476 /nfs/dbraw/zinc/93/54/76/532935476.db2.gz SXARJGCLURLOQZ-UHFFFAOYSA-N 1 2 387.508 2.170 20 0 GEADLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1sccc1C[NH+](C)C ZINC000293888646 532932919 /nfs/dbraw/zinc/93/29/19/532932919.db2.gz MPWPYDLQTGAVKO-ZYHUDNBSSA-N 1 2 377.432 2.481 20 0 GEADLO CCN1C(=O)[C@H]2C[N@H+](Cc3nc4cc(Br)ccc4o3)CCN2C1=O ZINC000368509142 532932928 /nfs/dbraw/zinc/93/29/28/532932928.db2.gz YAXQSSYJOGGJPR-GFCCVEGCSA-N 1 2 393.241 2.059 20 0 GEADLO CCN1C(=O)[C@H]2C[N@@H+](Cc3nc4cc(Br)ccc4o3)CCN2C1=O ZINC000368509142 532932930 /nfs/dbraw/zinc/93/29/30/532932930.db2.gz YAXQSSYJOGGJPR-GFCCVEGCSA-N 1 2 393.241 2.059 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccnc(Br)c2)C[C@@H]2CCCO2)C1 ZINC000293892466 532933062 /nfs/dbraw/zinc/93/30/62/532933062.db2.gz VHNNNVOWNAFARR-KGLIPLIRSA-N 1 2 389.315 2.012 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccnc(Br)c2)C[C@@H]2CCCO2)C1 ZINC000293892466 532933064 /nfs/dbraw/zinc/93/30/64/532933064.db2.gz VHNNNVOWNAFARR-KGLIPLIRSA-N 1 2 389.315 2.012 20 0 GEADLO CC[C@@H]1CN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C[C@@H](C)[S@]1=O ZINC000368551657 532933184 /nfs/dbraw/zinc/93/31/84/532933184.db2.gz RIELZJPNVALMDP-GQOCTFISSA-N 1 2 383.583 2.422 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369174421 532937260 /nfs/dbraw/zinc/93/72/60/532937260.db2.gz OJYRSOFCQAEFNF-HNNXBMFYSA-N 1 2 387.864 2.478 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cc(N(C)C)c1 ZINC000294298719 532937669 /nfs/dbraw/zinc/93/76/69/532937669.db2.gz QRROMQGHFXEOAI-SUMWQHHRSA-N 1 2 396.329 2.450 20 0 GEADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000368974965 532936178 /nfs/dbraw/zinc/93/61/78/532936178.db2.gz SIQUDSYTRASEMI-ZDMBXUJBSA-N 1 2 381.230 2.178 20 0 GEADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000368974965 532936179 /nfs/dbraw/zinc/93/61/79/532936179.db2.gz SIQUDSYTRASEMI-ZDMBXUJBSA-N 1 2 381.230 2.178 20 0 GEADLO Cc1c2cccc(Br)c2oc1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000370331185 532942983 /nfs/dbraw/zinc/94/29/83/532942983.db2.gz AOLVAAZLSNHWNF-UHFFFAOYSA-N 1 2 394.269 2.137 20 0 GEADLO Cc1c2cccc(Br)c2oc1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000370331185 532942984 /nfs/dbraw/zinc/94/29/84/532942984.db2.gz AOLVAAZLSNHWNF-UHFFFAOYSA-N 1 2 394.269 2.137 20 0 GEADLO Cc1cc(N2CCC(NC(=O)c3cccnc3Br)CC2)nc[nH+]1 ZINC000370463414 532943475 /nfs/dbraw/zinc/94/34/75/532943475.db2.gz KHWXLTSCZWGTKM-UHFFFAOYSA-N 1 2 376.258 2.341 20 0 GEADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000369725286 532940559 /nfs/dbraw/zinc/94/05/59/532940559.db2.gz IIHSZXCGGXZUMN-QGZVFWFLSA-N 1 2 381.567 2.137 20 0 GEADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000369725286 532940560 /nfs/dbraw/zinc/94/05/60/532940560.db2.gz IIHSZXCGGXZUMN-QGZVFWFLSA-N 1 2 381.567 2.137 20 0 GEADLO NC(=O)c1cccc(C[NH+]2CCC(O)(c3scnc3Br)CC2)c1 ZINC000369720839 532940666 /nfs/dbraw/zinc/94/06/66/532940666.db2.gz BKWBPUYQYWWXHH-UHFFFAOYSA-N 1 2 396.310 2.488 20 0 GEADLO CN1CC[NH+](C2(C(=O)Nc3cc(Br)c[nH]c3=O)CCCC2)CC1 ZINC000369882066 532941299 /nfs/dbraw/zinc/94/12/99/532941299.db2.gz WQMFSJNLHPNVFQ-UHFFFAOYSA-N 1 2 383.290 2.048 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)Cc1cc3c(cc1Br)OCCO3)CC2 ZINC000369922178 532941352 /nfs/dbraw/zinc/94/13/52/532941352.db2.gz BSIVPDBKZNJWEO-UHFFFAOYSA-N 1 2 392.253 2.310 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000370510444 532943790 /nfs/dbraw/zinc/94/37/90/532943790.db2.gz ZHZLLRLLBIFULX-JTQLQIEISA-N 1 2 375.372 2.339 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000370510445 532943853 /nfs/dbraw/zinc/94/38/53/532943853.db2.gz ZHZLLRLLBIFULX-SNVBAGLBSA-N 1 2 375.372 2.339 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)Nc1ccccc1Br ZINC000370544953 532944127 /nfs/dbraw/zinc/94/41/27/532944127.db2.gz BBUJKTSKAKBZCB-KRWDZBQOSA-N 1 2 398.301 2.452 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(Cl)cc1Cl ZINC000371362023 532947771 /nfs/dbraw/zinc/94/77/71/532947771.db2.gz UOAFXOMJTOAQKC-MRVPVSSYSA-N 1 2 388.276 2.407 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(Cl)cc1Cl ZINC000371362023 532947772 /nfs/dbraw/zinc/94/77/72/532947772.db2.gz UOAFXOMJTOAQKC-MRVPVSSYSA-N 1 2 388.276 2.407 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000371848575 532949620 /nfs/dbraw/zinc/94/96/20/532949620.db2.gz WPCQPSSFJLZJDV-BXUZGUMPSA-N 1 2 384.889 2.465 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000371848575 532949621 /nfs/dbraw/zinc/94/96/21/532949621.db2.gz WPCQPSSFJLZJDV-BXUZGUMPSA-N 1 2 384.889 2.465 20 0 GEADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N[C@@H]2CCN(c3cnn(C)c3)C2=O)nc[nH+]1 ZINC000275709988 570699034 /nfs/dbraw/zinc/69/90/34/570699034.db2.gz NZWDWIVPLRECBD-MDZRGWNJSA-N 1 2 399.499 2.043 20 0 GEADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N[C@@H]2CCN(c3cnn(C)c3)C2=O)[nH+]cn1 ZINC000275709988 570699037 /nfs/dbraw/zinc/69/90/37/570699037.db2.gz NZWDWIVPLRECBD-MDZRGWNJSA-N 1 2 399.499 2.043 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736203904 598966327 /nfs/dbraw/zinc/96/63/27/598966327.db2.gz PCRWLPXHOISYIV-CYBMUJFWSA-N 1 2 396.430 2.312 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)c2c3ccccc3nnc2-c2nn[nH]n2)c1C ZINC000737022880 598963510 /nfs/dbraw/zinc/96/35/10/598963510.db2.gz FBAAMTIVTGZJIX-UHFFFAOYSA-N 1 2 376.424 2.467 20 0 GEADLO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738041581 598983798 /nfs/dbraw/zinc/98/37/98/598983798.db2.gz SICWOEKHYQIHBV-QGZVFWFLSA-N 1 2 397.870 2.482 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000737033223 598984693 /nfs/dbraw/zinc/98/46/93/598984693.db2.gz UHQIMOOQEBNFBB-UHFFFAOYSA-N 1 2 385.428 2.005 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCc2cnc(C(C)C)nc2C1 ZINC000737033596 598986323 /nfs/dbraw/zinc/98/63/23/598986323.db2.gz YQWIPLGKTDLMTF-UHFFFAOYSA-N 1 2 395.467 2.226 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCc2cnc(C(C)C)nc2C1 ZINC000737033596 598986325 /nfs/dbraw/zinc/98/63/25/598986325.db2.gz YQWIPLGKTDLMTF-UHFFFAOYSA-N 1 2 395.467 2.226 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000737289890 599035939 /nfs/dbraw/zinc/03/59/39/599035939.db2.gz ADKUJNNCGKDBSW-SFHVURJKSA-N 1 2 378.436 2.015 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000737289890 599035941 /nfs/dbraw/zinc/03/59/41/599035941.db2.gz ADKUJNNCGKDBSW-SFHVURJKSA-N 1 2 378.436 2.015 20 0 GEADLO OCC[C@@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000823718424 599037563 /nfs/dbraw/zinc/03/75/63/599037563.db2.gz SVMLXSNSNLVMOR-JTQLQIEISA-N 1 2 376.367 2.225 20 0 GEADLO c1nn(-c2ccccc2)c2nc[nH+]c(NCCOc3ccc(-c4nn[nH]n4)cc3)c12 ZINC000823771670 599050032 /nfs/dbraw/zinc/05/00/32/599050032.db2.gz BSZIFBKZRIAKEV-UHFFFAOYSA-N 1 2 399.418 2.487 20 0 GEADLO NC(=O)[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736725 599090163 /nfs/dbraw/zinc/09/01/63/599090163.db2.gz LKNGKOOSFZGQFO-LBPRGKRZSA-N 1 2 393.270 2.007 20 0 GEADLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)(C)C ZINC000736016847 599106102 /nfs/dbraw/zinc/10/61/02/599106102.db2.gz DVCIYEMTRPLVPA-HNNXBMFYSA-N 1 2 385.516 2.376 20 0 GEADLO O=C(/C=C\C1CC1)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822923239 599149139 /nfs/dbraw/zinc/14/91/39/599149139.db2.gz PAKNTVLLQABBLK-FPLPWBNLSA-N 1 2 375.436 2.030 20 0 GEADLO Cc1cc(N2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)nc(C2CC2)[nH+]1 ZINC000737272265 599169051 /nfs/dbraw/zinc/16/90/51/599169051.db2.gz QXKKJDUQXJKJMY-UHFFFAOYSA-N 1 2 380.431 2.308 20 0 GEADLO C[N@H+](CCOc1ccccc1Cl)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736804356 599184513 /nfs/dbraw/zinc/18/45/13/599184513.db2.gz LETDXWOMBLGGKP-UHFFFAOYSA-N 1 2 386.843 2.469 20 0 GEADLO C[N@@H+](CCOc1ccccc1Cl)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736804356 599184516 /nfs/dbraw/zinc/18/45/16/599184516.db2.gz LETDXWOMBLGGKP-UHFFFAOYSA-N 1 2 386.843 2.469 20 0 GEADLO O[C@H](C[NH+]1CCN(c2c(F)cc(-c3nn[nH]n3)cc2F)CC1)c1ccccc1 ZINC000738380889 599205453 /nfs/dbraw/zinc/20/54/53/599205453.db2.gz INAVPDYBOBNZMD-QGZVFWFLSA-N 1 2 386.406 2.001 20 0 GEADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1sccc1-c1nn[nH]n1)c1ccccc1 ZINC000822699316 599202418 /nfs/dbraw/zinc/20/24/18/599202418.db2.gz VUMPCTLPYJMJNW-AWEZNQCLSA-N 1 2 379.449 2.376 20 0 GEADLO Cc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)o1 ZINC000737333767 599211189 /nfs/dbraw/zinc/21/11/89/599211189.db2.gz VRSJWYHVIUDHGX-MRXNPFEDSA-N 1 2 382.424 2.170 20 0 GEADLO Cc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)o1 ZINC000737333767 599211190 /nfs/dbraw/zinc/21/11/90/599211190.db2.gz VRSJWYHVIUDHGX-MRXNPFEDSA-N 1 2 382.424 2.170 20 0 GEADLO Cc1cc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)nc4ccccc43)CC2)on1 ZINC000737262796 599262399 /nfs/dbraw/zinc/26/23/99/599262399.db2.gz PYERSDOHRWRLGT-UHFFFAOYSA-N 1 2 376.424 2.034 20 0 GEADLO CC1CC[NH+](c2ccc(NC[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cc2)CC1 ZINC000820726930 607310678 /nfs/dbraw/zinc/31/06/78/607310678.db2.gz DGUYBZNYTVKAOF-HNNXBMFYSA-N 1 2 393.499 2.453 20 0 GEADLO Cn1ccnc1[C@H](O)[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000822693893 607305758 /nfs/dbraw/zinc/30/57/58/607305758.db2.gz NIZFBABJNYRRSP-SCLBCKFNSA-N 1 2 390.451 2.098 20 0 GEADLO NC(=O)C1CC[NH+](c2ccc(Nc3cccc(F)c3-c3nn[nH]n3)cc2)CC1 ZINC000737747716 598243514 /nfs/dbraw/zinc/24/35/14/598243514.db2.gz WOUFBOCZBVKVAT-UHFFFAOYSA-N 1 2 381.415 2.451 20 0 GEADLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736243091 598252546 /nfs/dbraw/zinc/25/25/46/598252546.db2.gz VALCIDGPOUEFIH-CGZBRXJRSA-N 1 2 397.527 2.072 20 0 GEADLO CCCCC[C@H](C)NC(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736441847 598253217 /nfs/dbraw/zinc/25/32/17/598253217.db2.gz VHKJUARAWGHGSI-INIZCTEOSA-N 1 2 385.516 2.074 20 0 GEADLO Fc1cc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c2c(c1)COCO2 ZINC000737650361 598253870 /nfs/dbraw/zinc/25/38/70/598253870.db2.gz HQSBLQKVHRYBLV-UHFFFAOYSA-N 1 2 396.426 2.195 20 0 GEADLO O[C@@H](C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)c1ccccc1F ZINC000738381801 598256714 /nfs/dbraw/zinc/25/67/14/598256714.db2.gz MXLKRAUQGGPQKI-SFHVURJKSA-N 1 2 386.406 2.001 20 0 GEADLO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000738102659 598310012 /nfs/dbraw/zinc/31/00/12/598310012.db2.gz SUKIHZWVHLWJQK-UHFFFAOYSA-N 1 2 377.383 2.181 20 0 GEADLO Cc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503348 598356584 /nfs/dbraw/zinc/35/65/84/598356584.db2.gz URNMQAGQDOXLGU-DZGCQCFKSA-N 1 2 380.456 2.036 20 0 GEADLO Cc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503348 598356586 /nfs/dbraw/zinc/35/65/86/598356586.db2.gz URNMQAGQDOXLGU-DZGCQCFKSA-N 1 2 380.456 2.036 20 0 GEADLO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000737548368 598385312 /nfs/dbraw/zinc/38/53/12/598385312.db2.gz PDBPQXXEJIDJLX-UHFFFAOYSA-N 1 2 392.423 2.022 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(OC(C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000737547279 598429223 /nfs/dbraw/zinc/42/92/23/598429223.db2.gz JRIAEKYTIGTYGI-GFCCVEGCSA-N 1 2 376.461 2.293 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@@H](c2ccccc2F)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842343 598461485 /nfs/dbraw/zinc/46/14/85/598461485.db2.gz AMPLXYQYLRHLAQ-GOSISDBHSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(CC[N@H+]1CCO[C@@H](c2ccccc2F)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842343 598461487 /nfs/dbraw/zinc/46/14/87/598461487.db2.gz AMPLXYQYLRHLAQ-GOSISDBHSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)OCc1ccccc1 ZINC000737874784 598504594 /nfs/dbraw/zinc/50/45/94/598504594.db2.gz ZSMKEZOQVPWMAH-UHFFFAOYSA-N 1 2 392.463 2.122 20 0 GEADLO O=C(C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1)OCc1ccccc1 ZINC000737874784 598504595 /nfs/dbraw/zinc/50/45/95/598504595.db2.gz ZSMKEZOQVPWMAH-UHFFFAOYSA-N 1 2 392.463 2.122 20 0 GEADLO O=C(c1c(F)cccc1F)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738246577 598524960 /nfs/dbraw/zinc/52/49/60/598524960.db2.gz HTBCQTQHVWMWMO-UHFFFAOYSA-N 1 2 384.390 2.103 20 0 GEADLO FC(F)Oc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CC(n4cccn4)C3)c2c1 ZINC000737640066 598545902 /nfs/dbraw/zinc/54/59/02/598545902.db2.gz ZBNDUUDXWZWADP-UHFFFAOYSA-N 1 2 384.350 2.274 20 0 GEADLO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000737833674 598689241 /nfs/dbraw/zinc/68/92/41/598689241.db2.gz ZXEWEHWNLMDSDH-QGZVFWFLSA-N 1 2 395.467 2.476 20 0 GEADLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000736861079 598718411 /nfs/dbraw/zinc/71/84/11/598718411.db2.gz YFRSPPYVYLMQCN-HNNXBMFYSA-N 1 2 383.481 2.337 20 0 GEADLO C[N@H+]1CCCC[C@H]1C(=O)Nc1ncc(Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000736861079 598718412 /nfs/dbraw/zinc/71/84/12/598718412.db2.gz YFRSPPYVYLMQCN-HNNXBMFYSA-N 1 2 383.481 2.337 20 0 GEADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737120504 598754457 /nfs/dbraw/zinc/75/44/57/598754457.db2.gz CIAKNJGWFFPARP-OAHLLOKOSA-N 1 2 392.463 2.394 20 0 GEADLO Clc1ccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)c(-c2nn[nH]n2)c1 ZINC000737577122 598792313 /nfs/dbraw/zinc/79/23/13/598792313.db2.gz SRZOPDZXSKEVJX-UHFFFAOYSA-N 1 2 394.870 2.490 20 0 GEADLO CC(C)n1ccnc1C[N@@H+]1CCCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735965006 599428180 /nfs/dbraw/zinc/42/81/80/599428180.db2.gz IIEJNGYASKOXOO-UHFFFAOYSA-N 1 2 384.463 2.496 20 0 GEADLO CC(C)n1ccnc1C[N@H+]1CCCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735965006 599428181 /nfs/dbraw/zinc/42/81/81/599428181.db2.gz IIEJNGYASKOXOO-UHFFFAOYSA-N 1 2 384.463 2.496 20 0 GEADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736911024 599444765 /nfs/dbraw/zinc/44/47/65/599444765.db2.gz ZIWWNFNDXBOUNY-SFHVURJKSA-N 1 2 381.436 2.482 20 0 GEADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736911024 599444767 /nfs/dbraw/zinc/44/47/67/599444767.db2.gz ZIWWNFNDXBOUNY-SFHVURJKSA-N 1 2 381.436 2.482 20 0 GEADLO CC(C)c1noc(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)n1 ZINC000735954159 599469857 /nfs/dbraw/zinc/46/98/57/599469857.db2.gz SSQJXPGNJIZYEO-UHFFFAOYSA-N 1 2 391.439 2.248 20 0 GEADLO O=C(NCC1CC1)[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000823171073 599481631 /nfs/dbraw/zinc/48/16/31/599481631.db2.gz NXWZSOMHAXWMIA-CQSZACIVSA-N 1 2 377.452 2.158 20 0 GEADLO CC(C)C(=O)NC[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000820012185 599515695 /nfs/dbraw/zinc/51/56/95/599515695.db2.gz WBUCDMBQPLBZCR-AWEZNQCLSA-N 1 2 379.468 2.404 20 0 GEADLO Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NCc1cn2c([nH+]1)CCCC2 ZINC000822204307 599519023 /nfs/dbraw/zinc/51/90/23/599519023.db2.gz LJQLBVUISWMANO-UHFFFAOYSA-N 1 2 378.415 2.429 20 0 GEADLO CC(C)(C)n1cc(C[NH+]2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)cn1 ZINC000819976248 599532862 /nfs/dbraw/zinc/53/28/62/599532862.db2.gz RTWUYXHZQZBSSE-UHFFFAOYSA-N 1 2 384.463 2.280 20 0 GEADLO Cc1cc(N2CCC[C@@H](Nc3snc(Cl)c3-c3nn[nH]n3)C2)nc(C)[nH+]1 ZINC000822207266 599535068 /nfs/dbraw/zinc/53/50/68/599535068.db2.gz PXQSLCVFGCOGSQ-SNVBAGLBSA-N 1 2 391.892 2.464 20 0 GEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737342126 599551095 /nfs/dbraw/zinc/55/10/95/599551095.db2.gz PCVCKTSRZDZNNX-UHFFFAOYSA-N 1 2 378.436 2.260 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@@H](N2CCCC2=O)C1 ZINC000822332284 599551304 /nfs/dbraw/zinc/55/13/04/599551304.db2.gz MPIRWOJNCSCIDZ-CQSZACIVSA-N 1 2 377.452 2.315 20 0 GEADLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccs1 ZINC000735526658 599560884 /nfs/dbraw/zinc/56/08/84/599560884.db2.gz YRMHUZHCAMFAPA-AWEZNQCLSA-N 1 2 382.493 2.376 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000736693099 599573339 /nfs/dbraw/zinc/57/33/39/599573339.db2.gz XOTKWIGDKDUUOH-UHFFFAOYSA-N 1 2 382.493 2.449 20 0 GEADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000821266328 599662026 /nfs/dbraw/zinc/66/20/26/599662026.db2.gz BJXBFRGGDZJLQH-INIZCTEOSA-N 1 2 395.467 2.278 20 0 GEADLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000821266328 599662027 /nfs/dbraw/zinc/66/20/27/599662027.db2.gz BJXBFRGGDZJLQH-INIZCTEOSA-N 1 2 395.467 2.278 20 0 GEADLO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000738769398 599781951 /nfs/dbraw/zinc/78/19/51/599781951.db2.gz APXVJPICILJJPZ-QFIPXVFZSA-N 1 2 395.503 2.445 20 0 GEADLO Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000738769398 599781952 /nfs/dbraw/zinc/78/19/52/599781952.db2.gz APXVJPICILJJPZ-QFIPXVFZSA-N 1 2 395.503 2.445 20 0 GEADLO CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000737283835 599975758 /nfs/dbraw/zinc/97/57/58/599975758.db2.gz AOFOZEUQCJRHAS-QAPCUYQASA-N 1 2 384.480 2.486 20 0 GEADLO CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000737283835 599975759 /nfs/dbraw/zinc/97/57/59/599975759.db2.gz AOFOZEUQCJRHAS-QAPCUYQASA-N 1 2 384.480 2.486 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736785362 600285440 /nfs/dbraw/zinc/28/54/40/600285440.db2.gz SFLZIWIMASBXHC-KURKYZTESA-N 1 2 379.545 2.285 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736785362 600285442 /nfs/dbraw/zinc/28/54/42/600285442.db2.gz SFLZIWIMASBXHC-KURKYZTESA-N 1 2 379.545 2.285 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000736785362 600285444 /nfs/dbraw/zinc/28/54/44/600285444.db2.gz SFLZIWIMASBXHC-KURKYZTESA-N 1 2 379.545 2.285 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000736785362 600285447 /nfs/dbraw/zinc/28/54/47/600285447.db2.gz SFLZIWIMASBXHC-KURKYZTESA-N 1 2 379.545 2.285 20 0 GEADLO CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737506623 600574325 /nfs/dbraw/zinc/57/43/25/600574325.db2.gz ZNVMDPPLVFRBDO-JXFKEZNVSA-N 1 2 398.507 2.139 20 0 GEADLO CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737506623 600574326 /nfs/dbraw/zinc/57/43/26/600574326.db2.gz ZNVMDPPLVFRBDO-JXFKEZNVSA-N 1 2 398.507 2.139 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000826181913 607464706 /nfs/dbraw/zinc/46/47/06/607464706.db2.gz SBPZJFPQEPJBPE-QGZVFWFLSA-N 1 2 378.436 2.113 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000826181913 607464707 /nfs/dbraw/zinc/46/47/07/607464707.db2.gz SBPZJFPQEPJBPE-QGZVFWFLSA-N 1 2 378.436 2.113 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000826183880 607469807 /nfs/dbraw/zinc/46/98/07/607469807.db2.gz DHAJSJRLVTZZBN-GOSISDBHSA-N 1 2 386.843 2.019 20 0 GEADLO COc1ccc(Cl)cc1CN1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826208551 607477295 /nfs/dbraw/zinc/47/72/95/607477295.db2.gz PVXTXHMZRNZBLI-UHFFFAOYSA-N 1 2 399.886 2.242 20 0 GEADLO C[NH+]1CCN(C[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)c2ccccc2)CC1 ZINC000821627003 607479049 /nfs/dbraw/zinc/47/90/49/607479049.db2.gz IWHXZERDMAISGM-FQEVSTJZSA-N 1 2 395.486 2.084 20 0 GEADLO C[NH+]1CCC(CNC(=O)Nc2ccc(CC(=O)[O-])cc2)([NH+]2CCCCC2)CC1 ZINC000830923401 601031767 /nfs/dbraw/zinc/03/17/67/601031767.db2.gz IYMRWGKEUDIEQK-UHFFFAOYSA-N 1 2 388.512 2.386 20 0 GEADLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000824764324 607494517 /nfs/dbraw/zinc/49/45/17/607494517.db2.gz VKHTYZUXLFAQCN-ZDUSSCGKSA-N 1 2 385.422 2.419 20 0 GEADLO C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000827356791 601291379 /nfs/dbraw/zinc/29/13/79/601291379.db2.gz TXOXYWJAYJAUAQ-VQIMIIECSA-N 1 2 391.487 2.188 20 0 GEADLO C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000827356791 601291381 /nfs/dbraw/zinc/29/13/81/601291381.db2.gz TXOXYWJAYJAUAQ-VQIMIIECSA-N 1 2 391.487 2.188 20 0 GEADLO C[C@H](C(=O)[O-])[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000826051927 601652117 /nfs/dbraw/zinc/65/21/17/601652117.db2.gz FIJFVAUJBJQMKU-LAUBAEHRSA-N 1 2 396.491 2.172 20 0 GEADLO O=C([O-])C1CC[NH+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000263117748 601823862 /nfs/dbraw/zinc/82/38/62/601823862.db2.gz CLCBSRIETCTGBU-GOSISDBHSA-N 1 2 393.915 2.390 20 0 GEADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(-c3nn[nH]n3)cn2)c(C)c1 ZINC000826284484 607541542 /nfs/dbraw/zinc/54/15/42/607541542.db2.gz VEPXQAVDOUBPBC-GOSISDBHSA-N 1 2 388.435 2.246 20 0 GEADLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](CCC[NH+]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000738717549 603408881 /nfs/dbraw/zinc/40/88/81/603408881.db2.gz RJCJLYOVXYXHPH-CVEARBPZSA-N 1 2 384.521 2.098 20 0 GEADLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](CCC[NH+]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000738717549 603408882 /nfs/dbraw/zinc/40/88/82/603408882.db2.gz RJCJLYOVXYXHPH-CVEARBPZSA-N 1 2 384.521 2.098 20 0 GEADLO CC(C)(C)OC(=O)N[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000738717549 603408883 /nfs/dbraw/zinc/40/88/83/603408883.db2.gz RJCJLYOVXYXHPH-CVEARBPZSA-N 1 2 384.521 2.098 20 0 GEADLO CC(C)(C)OC(=O)N[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000738717549 603408885 /nfs/dbraw/zinc/40/88/85/603408885.db2.gz RJCJLYOVXYXHPH-CVEARBPZSA-N 1 2 384.521 2.098 20 0 GEADLO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc3c2N(C(=O)[O-])CC3)nc[nH+]1 ZINC000828593656 603860169 /nfs/dbraw/zinc/86/01/69/603860169.db2.gz FPZVXOGHGJZXAE-MRXNPFEDSA-N 1 2 382.468 2.317 20 0 GEADLO C[C@H]1CN(C(=O)c2ccc(Br)c(Cl)c2F)CC[N@@H+]1CCO ZINC000444353920 649947283 /nfs/dbraw/zinc/94/72/83/649947283.db2.gz SLKZPTZWCZPLNZ-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO C[C@H]1CN(C(=O)c2ccc(Br)c(Cl)c2F)CC[N@H+]1CCO ZINC000444353920 649947287 /nfs/dbraw/zinc/94/72/87/649947287.db2.gz SLKZPTZWCZPLNZ-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2F)CC[N@@H+]1CCO ZINC000444348818 649946895 /nfs/dbraw/zinc/94/68/95/649946895.db2.gz CBXHTQLLNYQUNS-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2F)CC[N@H+]1CCO ZINC000444348818 649946898 /nfs/dbraw/zinc/94/68/98/649946898.db2.gz CBXHTQLLNYQUNS-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccc(Br)c(Cl)c2F)CC[N@@H+]1CCO ZINC000444353919 649947088 /nfs/dbraw/zinc/94/70/88/649947088.db2.gz SLKZPTZWCZPLNZ-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccc(Br)c(Cl)c2F)CC[N@H+]1CCO ZINC000444353919 649947090 /nfs/dbraw/zinc/94/70/90/649947090.db2.gz SLKZPTZWCZPLNZ-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)CSCc2cc(-c3cccs3)on2)CC1 ZINC000444390051 649948098 /nfs/dbraw/zinc/94/80/98/649948098.db2.gz RNDBZAWRPVCYAT-CYBMUJFWSA-N 1 2 381.523 2.161 20 0 GEADLO C[C@@H]1CN(Cc2cccc(C[NH2+]C3CC[NH+](CCCC(=O)[O-])CC3)c2)CCO1 ZINC000833629460 605219604 /nfs/dbraw/zinc/21/96/04/605219604.db2.gz IXRNDKGTMKVHBE-GOSISDBHSA-N 1 2 389.540 2.326 20 0 GEADLO O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000834102273 605987301 /nfs/dbraw/zinc/98/73/01/605987301.db2.gz CYABQJJLYWXXIL-MXEMCNAFSA-N 1 2 387.524 2.306 20 0 GEADLO O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000834102273 605987304 /nfs/dbraw/zinc/98/73/04/605987304.db2.gz CYABQJJLYWXXIL-MXEMCNAFSA-N 1 2 387.524 2.306 20 0 GEADLO Cc1cccn2cc(CCNC(=O)N(C)Cc3cccc(-c4nn[nH]n4)c3)[nH+]c12 ZINC000822366671 606119335 /nfs/dbraw/zinc/11/93/35/606119335.db2.gz RVBOHEUJDLPUJW-UHFFFAOYSA-N 1 2 390.451 2.207 20 0 GEADLO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1-c1nn[nH]n1 ZINC000821990282 606152276 /nfs/dbraw/zinc/15/22/76/606152276.db2.gz QPBZACPGPZUKTG-LLVKDONJSA-N 1 2 398.496 2.124 20 0 GEADLO O=C(CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1F ZINC000822996332 606152720 /nfs/dbraw/zinc/15/27/20/606152720.db2.gz CMKHDTKGNMHPBZ-UHFFFAOYSA-N 1 2 380.427 2.006 20 0 GEADLO C[C@@H](C(=O)OCCOc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000819883554 606225821 /nfs/dbraw/zinc/22/58/21/606225821.db2.gz HVPHODMZYZYEQG-HNNXBMFYSA-N 1 2 381.436 2.309 20 0 GEADLO C[C@@H](C(=O)OCCOc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1ccccc1 ZINC000819883554 606225823 /nfs/dbraw/zinc/22/58/23/606225823.db2.gz HVPHODMZYZYEQG-HNNXBMFYSA-N 1 2 381.436 2.309 20 0 GEADLO CN(C[C@H](O)COCc1ccccc1)c1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000821594977 606239761 /nfs/dbraw/zinc/23/97/61/606239761.db2.gz IWUVEQZAIRQGEB-INIZCTEOSA-N 1 2 390.447 2.429 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1 ZINC000822010065 606291642 /nfs/dbraw/zinc/29/16/42/606291642.db2.gz LWDLEMGORHPCRD-UHFFFAOYSA-N 1 2 389.419 2.407 20 0 GEADLO C[N@H+](Cc1ccc(F)c(F)c1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821610726 606315785 /nfs/dbraw/zinc/31/57/85/606315785.db2.gz BYMAXVRDRAZLEZ-AWEZNQCLSA-N 1 2 390.419 2.444 20 0 GEADLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821610726 606315787 /nfs/dbraw/zinc/31/57/87/606315787.db2.gz BYMAXVRDRAZLEZ-AWEZNQCLSA-N 1 2 390.419 2.444 20 0 GEADLO CCn1cc(C2CC[NH+]([C@H](C(=O)OC)c3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000821565154 606317213 /nfs/dbraw/zinc/31/72/13/606317213.db2.gz GKJDRILKFDNJEA-SFHVURJKSA-N 1 2 395.467 2.177 20 0 GEADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000821651847 606317382 /nfs/dbraw/zinc/31/73/82/606317382.db2.gz HJZUTTMETIBXIW-IBGZPJMESA-N 1 2 392.463 2.293 20 0 GEADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000821651847 606317383 /nfs/dbraw/zinc/31/73/83/606317383.db2.gz HJZUTTMETIBXIW-IBGZPJMESA-N 1 2 392.463 2.293 20 0 GEADLO Cc1[nH+]c2cc(NS(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)ccc2n1C ZINC000822223746 606359712 /nfs/dbraw/zinc/35/97/12/606359712.db2.gz ITQAEWWWPKNXNG-UHFFFAOYSA-N 1 2 383.437 2.171 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000821595520 606483120 /nfs/dbraw/zinc/48/31/20/606483120.db2.gz ZXJUAZYVZHMYAE-UHFFFAOYSA-N 1 2 391.348 2.446 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000821595520 606483122 /nfs/dbraw/zinc/48/31/22/606483122.db2.gz ZXJUAZYVZHMYAE-UHFFFAOYSA-N 1 2 391.348 2.446 20 0 GEADLO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822477288 606617478 /nfs/dbraw/zinc/61/74/78/606617478.db2.gz KNJUQJAVAWZSNQ-MRXNPFEDSA-N 1 2 391.439 2.086 20 0 GEADLO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822477288 606617480 /nfs/dbraw/zinc/61/74/80/606617480.db2.gz KNJUQJAVAWZSNQ-MRXNPFEDSA-N 1 2 391.439 2.086 20 0 GEADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821594004 606883236 /nfs/dbraw/zinc/88/32/36/606883236.db2.gz TXVMWZPNDACAQP-INIZCTEOSA-N 1 2 386.843 2.124 20 0 GEADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821594004 606883237 /nfs/dbraw/zinc/88/32/37/606883237.db2.gz TXVMWZPNDACAQP-INIZCTEOSA-N 1 2 386.843 2.124 20 0 GEADLO CCc1ccccc1NC(=O)C[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821497719 606883395 /nfs/dbraw/zinc/88/33/95/606883395.db2.gz YFUANFXEEWHJLG-GOSISDBHSA-N 1 2 380.452 2.033 20 0 GEADLO CCc1ccccc1NC(=O)C[N@@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821497719 606883397 /nfs/dbraw/zinc/88/33/97/606883397.db2.gz YFUANFXEEWHJLG-GOSISDBHSA-N 1 2 380.452 2.033 20 0 GEADLO CC(C)c1nc(C2([NH2+]C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCCC2)no1 ZINC000820203065 606904289 /nfs/dbraw/zinc/90/42/89/606904289.db2.gz PGPYTLYWUVLKMU-OAHLLOKOSA-N 1 2 383.456 2.466 20 0 GEADLO O[C@@H](C[C@H]1COCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000823674526 606915744 /nfs/dbraw/zinc/91/57/44/606915744.db2.gz RBVRBLUWKKBQGN-WMZOPIPTSA-N 1 2 399.451 2.053 20 0 GEADLO O[C@@H](C[C@H]1COCC[N@H+]1CCCOc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000823674526 606915746 /nfs/dbraw/zinc/91/57/46/606915746.db2.gz RBVRBLUWKKBQGN-WMZOPIPTSA-N 1 2 399.451 2.053 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](Oc2ccccn2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822993172 606931996 /nfs/dbraw/zinc/93/19/96/606931996.db2.gz QANXCPHNYOBQBP-ZDUSSCGKSA-N 1 2 399.842 2.007 20 0 GEADLO O=C(C[N@H+]1CC[C@H](Oc2ccccn2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822993172 606931997 /nfs/dbraw/zinc/93/19/97/606931997.db2.gz QANXCPHNYOBQBP-ZDUSSCGKSA-N 1 2 399.842 2.007 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@H](c2ccsc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822969178 606982732 /nfs/dbraw/zinc/98/27/32/606982732.db2.gz IXAOEBOWSRQMDH-INIZCTEOSA-N 1 2 384.465 2.330 20 0 GEADLO O=C(CC[N@H+]1CCO[C@H](c2ccsc2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000822969178 606982734 /nfs/dbraw/zinc/98/27/34/606982734.db2.gz IXAOEBOWSRQMDH-INIZCTEOSA-N 1 2 384.465 2.330 20 0 GEADLO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ncc(-c4nn[nH]n4)s3)cc2)C[C@H](C)O1 ZINC000820759153 607108156 /nfs/dbraw/zinc/10/81/56/607108156.db2.gz HXLBYVAGIWRRFI-RYUDHWBXSA-N 1 2 399.480 2.185 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821601454 607121370 /nfs/dbraw/zinc/12/13/70/607121370.db2.gz IBVSGAUZENSFKW-UHFFFAOYSA-N 1 2 376.877 2.436 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822997358 607178095 /nfs/dbraw/zinc/17/80/95/607178095.db2.gz PUMAAPKTENTYON-CQSZACIVSA-N 1 2 383.481 2.443 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](Nc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822997358 607178096 /nfs/dbraw/zinc/17/80/96/607178096.db2.gz PUMAAPKTENTYON-CQSZACIVSA-N 1 2 383.481 2.443 20 0 GEADLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccncc1 ZINC000820220459 607191684 /nfs/dbraw/zinc/19/16/84/607191684.db2.gz VMXILFRFNLXXEX-MRXNPFEDSA-N 1 2 391.479 2.100 20 0 GEADLO O=S(=O)(CC[N@H+](Cc1ccccc1)C1CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484858 607814977 /nfs/dbraw/zinc/81/49/77/607814977.db2.gz RMAFAOMEFRDMAP-UHFFFAOYSA-N 1 2 383.477 2.305 20 0 GEADLO O=S(=O)(CC[N@@H+](Cc1ccccc1)C1CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484858 607814978 /nfs/dbraw/zinc/81/49/78/607814978.db2.gz RMAFAOMEFRDMAP-UHFFFAOYSA-N 1 2 383.477 2.305 20 0 GEADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)[C@H]2C1 ZINC000826145302 607858290 /nfs/dbraw/zinc/85/82/90/607858290.db2.gz CZXBBOYDFBUERM-ILXRZTDVSA-N 1 2 395.410 2.236 20 0 GEADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)[C@H]2C1 ZINC000826145302 607858291 /nfs/dbraw/zinc/85/82/91/607858291.db2.gz CZXBBOYDFBUERM-ILXRZTDVSA-N 1 2 395.410 2.236 20 0 GEADLO Brc1cc(-c2nn[nH]n2)ccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000823826907 607987532 /nfs/dbraw/zinc/98/75/32/607987532.db2.gz QTJUCXNSAZQCED-UHFFFAOYSA-N 1 2 386.257 2.351 20 0 GEADLO OC1(C(F)(F)F)CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000826505573 608040166 /nfs/dbraw/zinc/04/01/66/608040166.db2.gz ZDBIKCMAUJFHQR-UHFFFAOYSA-N 1 2 393.316 2.357 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)c1 ZINC000826513512 608068640 /nfs/dbraw/zinc/06/86/40/608068640.db2.gz NLHOOGQPWPTVJR-LJQANCHMSA-N 1 2 379.420 2.211 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)c1 ZINC000826513512 608068641 /nfs/dbraw/zinc/06/86/41/608068641.db2.gz NLHOOGQPWPTVJR-LJQANCHMSA-N 1 2 379.420 2.211 20 0 GEADLO COc1cccc(OCC[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826217209 608071949 /nfs/dbraw/zinc/07/19/49/608071949.db2.gz BVRLFWMUXJJCCX-LJQANCHMSA-N 1 2 381.436 2.328 20 0 GEADLO COc1cccc(OCC[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826217209 608071950 /nfs/dbraw/zinc/07/19/50/608071950.db2.gz BVRLFWMUXJJCCX-LJQANCHMSA-N 1 2 381.436 2.328 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028441 608121164 /nfs/dbraw/zinc/12/11/64/608121164.db2.gz AHEDWWCNLVZLBZ-IEBWSBKVSA-N 1 2 398.417 2.249 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028441 608121165 /nfs/dbraw/zinc/12/11/65/608121165.db2.gz AHEDWWCNLVZLBZ-IEBWSBKVSA-N 1 2 398.417 2.249 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028535 608121402 /nfs/dbraw/zinc/12/14/02/608121402.db2.gz BVHQGSLSFRCOGU-DLBZAZTESA-N 1 2 384.390 2.320 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028535 608121403 /nfs/dbraw/zinc/12/14/03/608121403.db2.gz BVHQGSLSFRCOGU-DLBZAZTESA-N 1 2 384.390 2.320 20 0 GEADLO O=C(Cn1nc(C(F)(F)F)c2c[nH+]ccc21)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826425763 608230774 /nfs/dbraw/zinc/23/07/74/608230774.db2.gz RZVFDSCENZNITG-UHFFFAOYSA-N 1 2 388.313 2.269 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)c(NCCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000826276818 608272762 /nfs/dbraw/zinc/27/27/62/608272762.db2.gz YRRVJMBHKKGSQA-UHFFFAOYSA-N 1 2 392.511 2.190 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000826169982 608363280 /nfs/dbraw/zinc/36/32/80/608363280.db2.gz LCNYIIUEMTZYJE-UHFFFAOYSA-N 1 2 386.406 2.476 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000826168951 608375915 /nfs/dbraw/zinc/37/59/15/608375915.db2.gz DGRQALKMPPVMKO-HNNXBMFYSA-N 1 2 380.456 2.250 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000826168951 608375917 /nfs/dbraw/zinc/37/59/17/608375917.db2.gz DGRQALKMPPVMKO-HNNXBMFYSA-N 1 2 380.456 2.250 20 0 GEADLO OCC[C@H]([NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)c1ccccc1 ZINC000826508954 608432967 /nfs/dbraw/zinc/43/29/67/608432967.db2.gz HNDPWOIKBMHARK-INIZCTEOSA-N 1 2 377.408 2.130 20 0 GEADLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1OC(F)F ZINC000824529303 608434614 /nfs/dbraw/zinc/43/46/14/608434614.db2.gz GASRCGLHWTYYCW-BONVTDFDSA-N 1 2 388.378 2.345 20 0 GEADLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(OC(F)F)c1 ZINC000824530196 608443919 /nfs/dbraw/zinc/44/39/19/608443919.db2.gz JUSKABPJEVWLJH-BONVTDFDSA-N 1 2 388.378 2.345 20 0 GEADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000825164951 608487660 /nfs/dbraw/zinc/48/76/60/608487660.db2.gz NVYMFVZADGVZQR-FQEVSTJZSA-N 1 2 380.452 2.089 20 0 GEADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000825164951 608487661 /nfs/dbraw/zinc/48/76/61/608487661.db2.gz NVYMFVZADGVZQR-FQEVSTJZSA-N 1 2 380.452 2.089 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)nc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000826280188 608544428 /nfs/dbraw/zinc/54/44/28/608544428.db2.gz QLEHWMFFASLZQU-OAHLLOKOSA-N 1 2 385.497 2.141 20 0 GEADLO COCC[N@H+](Cc1nn(C)c2ccccc12)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158791 608566706 /nfs/dbraw/zinc/56/67/06/608566706.db2.gz CRUQVAAQLSNHJI-UHFFFAOYSA-N 1 2 377.452 2.402 20 0 GEADLO COCC[N@@H+](Cc1nn(C)c2ccccc12)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158791 608566707 /nfs/dbraw/zinc/56/67/07/608566707.db2.gz CRUQVAAQLSNHJI-UHFFFAOYSA-N 1 2 377.452 2.402 20 0 GEADLO CC(C)(C)n1cc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)cn1 ZINC000824148506 608685334 /nfs/dbraw/zinc/68/53/34/608685334.db2.gz XTMQUVGCZOGIFH-UHFFFAOYSA-N 1 2 386.529 2.198 20 0 GEADLO C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000824984696 608686694 /nfs/dbraw/zinc/68/66/94/608686694.db2.gz MKXWJMRSYMXVHN-WMLDXEAASA-N 1 2 384.509 2.168 20 0 GEADLO C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000824984696 608686696 /nfs/dbraw/zinc/68/66/96/608686696.db2.gz MKXWJMRSYMXVHN-WMLDXEAASA-N 1 2 384.509 2.168 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CCN1C[C@@H](O)c1ccccc1 ZINC000824984696 608686698 /nfs/dbraw/zinc/68/66/98/608686698.db2.gz MKXWJMRSYMXVHN-WMLDXEAASA-N 1 2 384.509 2.168 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)CCN1C[C@@H](O)c1ccccc1 ZINC000824984696 608686700 /nfs/dbraw/zinc/68/67/00/608686700.db2.gz MKXWJMRSYMXVHN-WMLDXEAASA-N 1 2 384.509 2.168 20 0 GEADLO C[C@@H]1CN(Cc2cc(-c3nn[nH]n3)cs2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000824983817 608686947 /nfs/dbraw/zinc/68/69/47/608686947.db2.gz DBIAMQPGGLWGOX-RDTXWAMCSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@@H]1CN(Cc2cc(-c3nn[nH]n3)cs2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000824983817 608686948 /nfs/dbraw/zinc/68/69/48/608686948.db2.gz DBIAMQPGGLWGOX-RDTXWAMCSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)cs2)CCN1C[C@@H](O)c1ccccc1 ZINC000824983817 608686950 /nfs/dbraw/zinc/68/69/50/608686950.db2.gz DBIAMQPGGLWGOX-RDTXWAMCSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)cs2)CCN1C[C@@H](O)c1ccccc1 ZINC000824983817 608686952 /nfs/dbraw/zinc/68/69/52/608686952.db2.gz DBIAMQPGGLWGOX-RDTXWAMCSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000824984695 608686980 /nfs/dbraw/zinc/68/69/80/608686980.db2.gz MKXWJMRSYMXVHN-RHSMWYFYSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000824984695 608686981 /nfs/dbraw/zinc/68/69/81/608686981.db2.gz MKXWJMRSYMXVHN-RHSMWYFYSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CCN1C[C@@H](O)c1ccccc1 ZINC000824984695 608686983 /nfs/dbraw/zinc/68/69/83/608686983.db2.gz MKXWJMRSYMXVHN-RHSMWYFYSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)CCN1C[C@@H](O)c1ccccc1 ZINC000824984695 608686985 /nfs/dbraw/zinc/68/69/85/608686985.db2.gz MKXWJMRSYMXVHN-RHSMWYFYSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@H]1CN(Cc2cc(-c3nn[nH]n3)cs2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000824983816 608687172 /nfs/dbraw/zinc/68/71/72/608687172.db2.gz DBIAMQPGGLWGOX-KSSFIOAISA-N 1 2 384.509 2.168 20 0 GEADLO C[C@H]1CN(Cc2cc(-c3nn[nH]n3)cs2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000824983816 608687175 /nfs/dbraw/zinc/68/71/75/608687175.db2.gz DBIAMQPGGLWGOX-KSSFIOAISA-N 1 2 384.509 2.168 20 0 GEADLO C[C@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)cs2)CCN1C[C@H](O)c1ccccc1 ZINC000824983816 608687177 /nfs/dbraw/zinc/68/71/77/608687177.db2.gz DBIAMQPGGLWGOX-KSSFIOAISA-N 1 2 384.509 2.168 20 0 GEADLO C[C@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)cs2)CCN1C[C@H](O)c1ccccc1 ZINC000824983816 608687179 /nfs/dbraw/zinc/68/71/79/608687179.db2.gz DBIAMQPGGLWGOX-KSSFIOAISA-N 1 2 384.509 2.168 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cnc(C2CCC2)s1 ZINC000825001100 608840064 /nfs/dbraw/zinc/84/00/64/608840064.db2.gz WZRIOJQXJLAJEV-LBPRGKRZSA-N 1 2 397.512 2.091 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cnc(C2CCC2)s1 ZINC000825001100 608840065 /nfs/dbraw/zinc/84/00/65/608840065.db2.gz WZRIOJQXJLAJEV-LBPRGKRZSA-N 1 2 397.512 2.091 20 0 GEADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825007145 608842163 /nfs/dbraw/zinc/84/21/63/608842163.db2.gz WFODWWXUZBWSGP-DNVCBOLYSA-N 1 2 395.463 2.027 20 0 GEADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825007145 608842165 /nfs/dbraw/zinc/84/21/65/608842165.db2.gz WFODWWXUZBWSGP-DNVCBOLYSA-N 1 2 395.463 2.027 20 0 GEADLO C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000824778480 609312585 /nfs/dbraw/zinc/31/25/85/609312585.db2.gz PVGCUGGHVXSILJ-ZDUSSCGKSA-N 1 2 376.424 2.286 20 0 GEADLO Cc1ccc([C@@H](CNc2nccc(C)c2-c2nn[nH]n2)[NH+]2CCOCC2)cc1 ZINC000826284267 609537508 /nfs/dbraw/zinc/53/75/08/609537508.db2.gz OFTMDMDABWSSPI-QGZVFWFLSA-N 1 2 379.468 2.364 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCOCC2(CCOCC2)C1 ZINC000826304505 609607400 /nfs/dbraw/zinc/60/74/00/609607400.db2.gz NNNUHKDLJXDWLQ-UHFFFAOYSA-N 1 2 380.452 2.357 20 0 GEADLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000826290180 609611234 /nfs/dbraw/zinc/61/12/34/609611234.db2.gz DMGHOUTZFKYLNL-INIZCTEOSA-N 1 2 391.479 2.324 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000447254829 650004139 /nfs/dbraw/zinc/00/41/39/650004139.db2.gz CUYZJULGBRXLBX-SECBINFHSA-N 1 2 385.649 2.442 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000447397193 650006204 /nfs/dbraw/zinc/00/62/04/650006204.db2.gz ZDEWOPVQEZJVPJ-GXTWGEPZSA-N 1 2 398.301 2.171 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000447397193 650006205 /nfs/dbraw/zinc/00/62/05/650006205.db2.gz ZDEWOPVQEZJVPJ-GXTWGEPZSA-N 1 2 398.301 2.171 20 0 GEADLO C[C@@H]1C[NH+](CCCNC(=O)N=c2nc(-c3ccsc3)[nH]s2)C[C@@H](C)O1 ZINC000447999403 650012564 /nfs/dbraw/zinc/01/25/64/650012564.db2.gz MGVSAGCKUZQBGS-VXGBXAGGSA-N 1 2 381.527 2.309 20 0 GEADLO CCNC(=O)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC ZINC000449223734 650034634 /nfs/dbraw/zinc/03/46/34/650034634.db2.gz YTVGCRGUICMLDB-UHFFFAOYSA-N 1 2 385.251 2.191 20 0 GEADLO COc1cc(Br)c(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1OC ZINC000449865663 650054576 /nfs/dbraw/zinc/05/45/76/650054576.db2.gz BKNPPHDSFAODDL-LBPRGKRZSA-N 1 2 399.285 2.059 20 0 GEADLO COc1cc(Br)c(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1OC ZINC000449865663 650054578 /nfs/dbraw/zinc/05/45/78/650054578.db2.gz BKNPPHDSFAODDL-LBPRGKRZSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000450248813 650062827 /nfs/dbraw/zinc/06/28/27/650062827.db2.gz UPPANBIAQKJGSY-LLVKDONJSA-N 1 2 376.404 2.286 20 0 GEADLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000450248813 650062830 /nfs/dbraw/zinc/06/28/30/650062830.db2.gz UPPANBIAQKJGSY-LLVKDONJSA-N 1 2 376.404 2.286 20 0 GEADLO CC(=O)NC[C@H]1CN(c2cc[nH+]c3cc(F)c(Br)cc32)CCO1 ZINC000450339822 650064054 /nfs/dbraw/zinc/06/40/54/650064054.db2.gz CBKWTDAESGDVIU-NSHDSACASA-N 1 2 382.233 2.478 20 0 GEADLO O=C1CN(CCCNc2cc[nH+]c3cc(F)c(Br)cc23)CCN1 ZINC000450399566 650064637 /nfs/dbraw/zinc/06/46/37/650064637.db2.gz AKQHBFOTFKQNKM-UHFFFAOYSA-N 1 2 381.249 2.370 20 0 GEADLO CC(C)C[C@@H](CNS(=O)(=O)C[C@@H]1CCCCC1(F)F)[NH+]1CCOCC1 ZINC000451012593 650080214 /nfs/dbraw/zinc/08/02/14/650080214.db2.gz DIQXTWKUSIVCQG-HOTGVXAUSA-N 1 2 382.517 2.478 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)C3(COC)CC3)CC2)cs1 ZINC000451197620 650095788 /nfs/dbraw/zinc/09/57/88/650095788.db2.gz SBLPQFYRZOLLMQ-UHFFFAOYSA-N 1 2 387.571 2.016 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC[N@@H+]1CCOC ZINC000451206746 650096405 /nfs/dbraw/zinc/09/64/05/650096405.db2.gz HCPSDGAROLRUQT-SHARSMKWSA-N 1 2 386.480 2.480 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC[N@H+]1CCOC ZINC000451206746 650096408 /nfs/dbraw/zinc/09/64/08/650096408.db2.gz HCPSDGAROLRUQT-SHARSMKWSA-N 1 2 386.480 2.480 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2cccc3c(Cl)ccnc32)C[C@H]1C ZINC000451208369 650096628 /nfs/dbraw/zinc/09/66/28/650096628.db2.gz NUSYMBMTBMPHRF-CYBMUJFWSA-N 1 2 383.901 2.229 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2cccc3c(Cl)ccnc32)C[C@H]1C ZINC000451208369 650096631 /nfs/dbraw/zinc/09/66/31/650096631.db2.gz NUSYMBMTBMPHRF-CYBMUJFWSA-N 1 2 383.901 2.229 20 0 GEADLO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000451276142 650100202 /nfs/dbraw/zinc/10/02/02/650100202.db2.gz JWHNXHMQUWEBIR-GUYCJALGSA-N 1 2 397.313 2.070 20 0 GEADLO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000451276142 650100203 /nfs/dbraw/zinc/10/02/03/650100203.db2.gz JWHNXHMQUWEBIR-GUYCJALGSA-N 1 2 397.313 2.070 20 0 GEADLO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)c1 ZINC000451651054 650128771 /nfs/dbraw/zinc/12/87/71/650128771.db2.gz LZYGMHZBRRUQCH-LSDHHAIUSA-N 1 2 375.918 2.287 20 0 GEADLO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)c1 ZINC000451651054 650128774 /nfs/dbraw/zinc/12/87/74/650128774.db2.gz LZYGMHZBRRUQCH-LSDHHAIUSA-N 1 2 375.918 2.287 20 0 GEADLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1C(F)(F)F ZINC000451888472 650150189 /nfs/dbraw/zinc/15/01/89/650150189.db2.gz IHRFFMNSSCTQDP-BETUJISGSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1C(F)(F)F ZINC000451888472 650150191 /nfs/dbraw/zinc/15/01/91/650150191.db2.gz IHRFFMNSSCTQDP-BETUJISGSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)NCc1c(Br)cncc1Br ZINC000452803291 650198069 /nfs/dbraw/zinc/19/80/69/650198069.db2.gz ADCHZFKSVRLWML-UHFFFAOYSA-N 1 2 388.063 2.497 20 0 GEADLO COc1ccc2c(c1)C[C@H]([NH2+]Cc1nn(C)cc1I)CO2 ZINC000453352989 650208514 /nfs/dbraw/zinc/20/85/14/650208514.db2.gz HDFSKZNDGUCQSF-NSHDSACASA-N 1 2 399.232 2.127 20 0 GEADLO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454559208 650269431 /nfs/dbraw/zinc/26/94/31/650269431.db2.gz DNKVAJFPAVQXJF-HNNXBMFYSA-N 1 2 387.933 2.239 20 0 GEADLO CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454559208 650269434 /nfs/dbraw/zinc/26/94/34/650269434.db2.gz DNKVAJFPAVQXJF-HNNXBMFYSA-N 1 2 387.933 2.239 20 0 GEADLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455109866 650291175 /nfs/dbraw/zinc/29/11/75/650291175.db2.gz OSWQAUKJSWFHRJ-LBPRGKRZSA-N 1 2 384.889 2.100 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)C[C@H]21 ZINC000456072451 650329565 /nfs/dbraw/zinc/32/95/65/650329565.db2.gz SSTQMXZGPASRFE-YLFCFFPRSA-N 1 2 379.298 2.484 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)C[C@H]21 ZINC000456072451 650329568 /nfs/dbraw/zinc/32/95/68/650329568.db2.gz SSTQMXZGPASRFE-YLFCFFPRSA-N 1 2 379.298 2.484 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccnc(SCC(F)(F)F)c1 ZINC000456215610 650334227 /nfs/dbraw/zinc/33/42/27/650334227.db2.gz MGNPATIVNPPJSS-BETUJISGSA-N 1 2 375.416 2.329 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccnc(SCC(F)(F)F)c1 ZINC000456215610 650334229 /nfs/dbraw/zinc/33/42/29/650334229.db2.gz MGNPATIVNPPJSS-BETUJISGSA-N 1 2 375.416 2.329 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000456215107 650334339 /nfs/dbraw/zinc/33/43/39/650334339.db2.gz LTLITLDWFJNZJC-GASCZTMLSA-N 1 2 397.313 2.370 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000456215107 650334340 /nfs/dbraw/zinc/33/43/40/650334340.db2.gz LTLITLDWFJNZJC-GASCZTMLSA-N 1 2 397.313 2.370 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456710558 650356513 /nfs/dbraw/zinc/35/65/13/650356513.db2.gz GFDNTLOQILNXSU-LBPRGKRZSA-N 1 2 384.249 2.130 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000457390150 650377385 /nfs/dbraw/zinc/37/73/85/650377385.db2.gz SCALMPWNDINPBY-CABCVRRESA-N 1 2 394.273 2.260 20 0 GEADLO C[C@H](CNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1)[NH+]1CCOCC1 ZINC000457694338 650382971 /nfs/dbraw/zinc/38/29/71/650382971.db2.gz RHIJNOBUKHWBHH-CZUORRHYSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)Cc2cn(-c3cccc(Br)c3)nn2)CCO1 ZINC000501850951 650398244 /nfs/dbraw/zinc/39/82/44/650398244.db2.gz LNIYJEBBTDABKW-CQSZACIVSA-N 1 2 394.317 2.182 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)Cc2cn(-c3cccc(Br)c3)nn2)CCO1 ZINC000501850951 650398245 /nfs/dbraw/zinc/39/82/45/650398245.db2.gz LNIYJEBBTDABKW-CQSZACIVSA-N 1 2 394.317 2.182 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000458300395 650399772 /nfs/dbraw/zinc/39/97/72/650399772.db2.gz JCPBQAVQFCRTOG-BBRMVZONSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000458300395 650399776 /nfs/dbraw/zinc/39/97/76/650399776.db2.gz JCPBQAVQFCRTOG-BBRMVZONSA-N 1 2 397.317 2.411 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCC3(CO)CC3)[nH+]c12 ZINC000458668914 650406614 /nfs/dbraw/zinc/40/66/14/650406614.db2.gz PMVRVGYWQBNFLE-UHFFFAOYSA-N 1 2 395.301 2.410 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)COc2ccc(F)cc2Br)CCO1 ZINC000505469614 650438060 /nfs/dbraw/zinc/43/80/60/650438060.db2.gz SDXYHLXRHWVSKQ-UHFFFAOYSA-N 1 2 389.265 2.194 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)COc2ccc(F)cc2Br)CCO1 ZINC000505469614 650438062 /nfs/dbraw/zinc/43/80/62/650438062.db2.gz SDXYHLXRHWVSKQ-UHFFFAOYSA-N 1 2 389.265 2.194 20 0 GEADLO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505557084 650438925 /nfs/dbraw/zinc/43/89/25/650438925.db2.gz GIFXBAFQCJLPKD-WBVHZDCISA-N 1 2 388.265 2.321 20 0 GEADLO Cn1nc2c(c1C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)CCCC2 ZINC000461086662 650449226 /nfs/dbraw/zinc/44/92/26/650449226.db2.gz LRIAUXFPTRTYLB-MRXNPFEDSA-N 1 2 377.286 2.378 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000507986350 650472167 /nfs/dbraw/zinc/47/21/67/650472167.db2.gz SMKVNQNWXDOIMG-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000507986350 650472170 /nfs/dbraw/zinc/47/21/70/650472170.db2.gz SMKVNQNWXDOIMG-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCOc1ccccc1Br ZINC000508862921 650484116 /nfs/dbraw/zinc/48/41/16/650484116.db2.gz ZTPCZJRXDCDFKV-CYBMUJFWSA-N 1 2 391.331 2.232 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CCOc1ccccc1Br ZINC000508862921 650484117 /nfs/dbraw/zinc/48/41/17/650484117.db2.gz ZTPCZJRXDCDFKV-CYBMUJFWSA-N 1 2 391.331 2.232 20 0 GEADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)cc2)n1C ZINC000508565593 650482600 /nfs/dbraw/zinc/48/26/00/650482600.db2.gz VYZYIRJYLZFIBF-UHFFFAOYSA-N 1 2 380.290 2.013 20 0 GEADLO Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508979490 650485272 /nfs/dbraw/zinc/48/52/72/650485272.db2.gz LFVFSRCJJRZXEL-HNNXBMFYSA-N 1 2 392.301 2.156 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCc1cccc(Cl)c1Cl ZINC000463342143 650493749 /nfs/dbraw/zinc/49/37/49/650493749.db2.gz CCVWVHHKQOVOAL-UHFFFAOYSA-N 1 2 381.325 2.178 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CCc1cccc(Br)c1 ZINC000463366796 650494260 /nfs/dbraw/zinc/49/42/60/650494260.db2.gz KAKSYCYWNOFCNF-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CCc1cccc(Br)c1 ZINC000463366796 650494262 /nfs/dbraw/zinc/49/42/62/650494262.db2.gz KAKSYCYWNOFCNF-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO Cn1ncc2c1nc[nH+]c2NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000509843043 650501852 /nfs/dbraw/zinc/50/18/52/650501852.db2.gz CEQHXJUBVZPUHY-GFCCVEGCSA-N 1 2 376.258 2.389 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000468790528 650507363 /nfs/dbraw/zinc/50/73/63/650507363.db2.gz BYKUJVVHUUILGM-CYBMUJFWSA-N 1 2 395.297 2.404 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510205481 650508522 /nfs/dbraw/zinc/50/85/22/650508522.db2.gz FBHNMQOHWKLTAP-ZDUSSCGKSA-N 1 2 387.933 2.237 20 0 GEADLO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCCc1[nH]cc[nH+]1 ZINC000469339368 650509271 /nfs/dbraw/zinc/50/92/71/650509271.db2.gz WWOJLFSJDARELN-HNNXBMFYSA-N 1 2 393.285 2.286 20 0 GEADLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)n1 ZINC000510904738 650520994 /nfs/dbraw/zinc/52/09/94/650520994.db2.gz LBNCWQSNSVHTSG-LLVKDONJSA-N 1 2 378.420 2.171 20 0 GEADLO Cc1csc(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)n1 ZINC000510904738 650520997 /nfs/dbraw/zinc/52/09/97/650520997.db2.gz LBNCWQSNSVHTSG-LLVKDONJSA-N 1 2 378.420 2.171 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511134832 650527937 /nfs/dbraw/zinc/52/79/37/650527937.db2.gz CIWCQSLYLIZDTL-ZDUSSCGKSA-N 1 2 388.917 2.230 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511134832 650527940 /nfs/dbraw/zinc/52/79/40/650527940.db2.gz CIWCQSLYLIZDTL-ZDUSSCGKSA-N 1 2 388.917 2.230 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(I)cc2)[C@H](C)C1 ZINC000511280169 650532084 /nfs/dbraw/zinc/53/20/84/650532084.db2.gz LPWJNORJIVUAIN-LLVKDONJSA-N 1 2 394.278 2.006 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(I)cc2)[C@H](C)C1 ZINC000511280169 650532088 /nfs/dbraw/zinc/53/20/88/650532088.db2.gz LPWJNORJIVUAIN-LLVKDONJSA-N 1 2 394.278 2.006 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cc(Br)cnc2OCC2CC2)CC1 ZINC000512333221 650546621 /nfs/dbraw/zinc/54/66/21/650546621.db2.gz FWPZVHLDJNSWHL-UHFFFAOYSA-N 1 2 398.301 2.037 20 0 GEADLO CC(C)[C@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000512650669 650552201 /nfs/dbraw/zinc/55/22/01/650552201.db2.gz FGNUVQJWJURXJN-BBRMVZONSA-N 1 2 385.302 2.299 20 0 GEADLO CC(C)[C@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000512650669 650552203 /nfs/dbraw/zinc/55/22/03/650552203.db2.gz FGNUVQJWJURXJN-BBRMVZONSA-N 1 2 385.302 2.299 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)CCOc1ccccc1Br ZINC000476512687 650552422 /nfs/dbraw/zinc/55/24/22/650552422.db2.gz LNEIPQFTWLSKST-UHFFFAOYSA-N 1 2 385.302 2.445 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)CCOc1ccccc1Br ZINC000476512687 650552425 /nfs/dbraw/zinc/55/24/25/650552425.db2.gz LNEIPQFTWLSKST-UHFFFAOYSA-N 1 2 385.302 2.445 20 0 GEADLO CNS(=O)(=O)CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000512805058 650554449 /nfs/dbraw/zinc/55/44/49/650554449.db2.gz AHIDAQYQHHMANI-UHFFFAOYSA-N 1 2 399.866 2.420 20 0 GEADLO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000513022751 650556625 /nfs/dbraw/zinc/55/66/25/650556625.db2.gz YCUSMHPBTYPKDX-UHFFFAOYSA-N 1 2 385.921 2.063 20 0 GEADLO CCC(CC)(NC(=O)C1C[NH+](Cc2ccc(Br)cc2)C1)C(N)=O ZINC000513267833 650560662 /nfs/dbraw/zinc/56/06/62/650560662.db2.gz SAESDGPGTWWOTC-UHFFFAOYSA-N 1 2 382.302 2.041 20 0 GEADLO O=C(C[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1)N1CCNC(=O)C1 ZINC000476994227 650564923 /nfs/dbraw/zinc/56/49/23/650564923.db2.gz UOXJVWNZZNTMHW-UHFFFAOYSA-N 1 2 382.291 2.431 20 0 GEADLO COc1ccc(OC)c(S(=O)(=O)N2CC[NH+](CCSC(C)C)CC2)c1 ZINC000513970859 650572252 /nfs/dbraw/zinc/57/22/52/650572252.db2.gz YYUFWGGGGKSWOE-UHFFFAOYSA-N 1 2 388.555 2.152 20 0 GEADLO Cc1[nH]nc2ncc(C[N@H+](C)CC(=O)Nc3ccc(Br)cn3)cc12 ZINC000514086650 650573382 /nfs/dbraw/zinc/57/33/82/650573382.db2.gz BXKQPDYCNIKPMT-UHFFFAOYSA-N 1 2 389.257 2.494 20 0 GEADLO Cc1[nH]nc2ncc(C[N@@H+](C)CC(=O)Nc3ccc(Br)cn3)cc12 ZINC000514086650 650573385 /nfs/dbraw/zinc/57/33/85/650573385.db2.gz BXKQPDYCNIKPMT-UHFFFAOYSA-N 1 2 389.257 2.494 20 0 GEADLO C[C@@H](C(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F)[NH+]1CCSCC1 ZINC000478139682 650583393 /nfs/dbraw/zinc/58/33/93/650583393.db2.gz IPYFTNAIANAKRI-AAEUAGOBSA-N 1 2 378.416 2.172 20 0 GEADLO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1=O ZINC000516516664 650598060 /nfs/dbraw/zinc/59/80/60/650598060.db2.gz XYBHMNMJULEZNP-WQGACYEGSA-N 1 2 390.285 2.129 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000479277200 650600738 /nfs/dbraw/zinc/60/07/38/650600738.db2.gz GITUIAIVUDUEBI-VIFPVBQESA-N 1 2 385.649 2.442 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)CCc1scnc1C)[NH+]1CCOCC1 ZINC000517022292 650601683 /nfs/dbraw/zinc/60/16/83/650601683.db2.gz FDPGIPUVZLAURO-INIZCTEOSA-N 1 2 389.587 2.050 20 0 GEADLO C[C@]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)(C(N)=O)c1cccc(Cl)c1 ZINC000518685426 650606506 /nfs/dbraw/zinc/60/65/06/650606506.db2.gz KWKCUAXFZSOXDW-SWLSCSKDSA-N 1 2 377.794 2.183 20 0 GEADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000521441179 650617530 /nfs/dbraw/zinc/61/75/30/650617530.db2.gz FFXSBMQFNVNDET-ABAIWWIYSA-N 1 2 379.869 2.086 20 0 GEADLO COC(=O)Cn1cc(C[NH2+]Cc2cc(Br)c(Cl)s2)nn1 ZINC000480302594 650619356 /nfs/dbraw/zinc/61/93/56/650619356.db2.gz UTXKZXIHIIKGSX-UHFFFAOYSA-N 1 2 379.667 2.218 20 0 GEADLO Cc1ccc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1I ZINC000524419885 650641133 /nfs/dbraw/zinc/64/11/33/650641133.db2.gz FNEROIPEQRYXQX-LBPRGKRZSA-N 1 2 388.249 2.050 20 0 GEADLO Cc1ccc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1I ZINC000524419885 650641137 /nfs/dbraw/zinc/64/11/37/650641137.db2.gz FNEROIPEQRYXQX-LBPRGKRZSA-N 1 2 388.249 2.050 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)NCCOc1cccc(Cl)c1 ZINC000524755634 650645908 /nfs/dbraw/zinc/64/59/08/650645908.db2.gz CMHVYDRAWLHFTL-UKRRQHHQSA-N 1 2 380.794 2.223 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)NCCOc1cccc(Cl)c1 ZINC000524755634 650645912 /nfs/dbraw/zinc/64/59/12/650645912.db2.gz CMHVYDRAWLHFTL-UKRRQHHQSA-N 1 2 380.794 2.223 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000481431860 650646505 /nfs/dbraw/zinc/64/65/05/650646505.db2.gz GNLUQSTYFWRXKN-NSHDSACASA-N 1 2 388.287 2.269 20 0 GEADLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000481750720 650652257 /nfs/dbraw/zinc/65/22/57/650652257.db2.gz PFEFIBLVLNYFDT-CABCVRRESA-N 1 2 399.285 2.430 20 0 GEADLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000481750720 650652259 /nfs/dbraw/zinc/65/22/59/650652259.db2.gz PFEFIBLVLNYFDT-CABCVRRESA-N 1 2 399.285 2.430 20 0 GEADLO Cc1nccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1Br ZINC000525845514 650658607 /nfs/dbraw/zinc/65/86/07/650658607.db2.gz XJSZLEOWSKJYCT-CQSZACIVSA-N 1 2 397.317 2.293 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000526031132 650663326 /nfs/dbraw/zinc/66/33/26/650663326.db2.gz UFCUZDIXKZDZJK-AWEZNQCLSA-N 1 2 380.286 2.083 20 0 GEADLO CC(C)[C@H](CC(F)(F)F)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000527335589 650673254 /nfs/dbraw/zinc/67/32/54/650673254.db2.gz KWZIVWSNGGBYMZ-ZFWWWQNUSA-N 1 2 383.480 2.471 20 0 GEADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(CCO)Cc1ccc(Br)s1 ZINC000483015254 650673338 /nfs/dbraw/zinc/67/33/38/650673338.db2.gz JMQVTAQOLYDEFF-LLVKDONJSA-N 1 2 384.299 2.291 20 0 GEADLO CN(C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000527337206 650673701 /nfs/dbraw/zinc/67/37/01/650673701.db2.gz RGVHFYZQOFAZKB-DZGCQCFKSA-N 1 2 398.301 2.245 20 0 GEADLO CN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000527337206 650673704 /nfs/dbraw/zinc/67/37/04/650673704.db2.gz RGVHFYZQOFAZKB-DZGCQCFKSA-N 1 2 398.301 2.245 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483354721 650677297 /nfs/dbraw/zinc/67/72/97/650677297.db2.gz UOGZVXWFDVLXOD-AWEZNQCLSA-N 1 2 394.317 2.182 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000528359149 650690710 /nfs/dbraw/zinc/69/07/10/650690710.db2.gz NZDPTEZQLBTWEB-QWRGUYRKSA-N 1 2 382.404 2.307 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000528359149 650690712 /nfs/dbraw/zinc/69/07/12/650690712.db2.gz NZDPTEZQLBTWEB-QWRGUYRKSA-N 1 2 382.404 2.307 20 0 GEADLO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528342412 650689265 /nfs/dbraw/zinc/68/92/65/650689265.db2.gz QYGWFWSHLITZEW-INIZCTEOSA-N 1 2 387.307 2.417 20 0 GEADLO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528350241 650690013 /nfs/dbraw/zinc/69/00/13/650690013.db2.gz MIKQDUPRBBEUKW-AWEZNQCLSA-N 1 2 387.307 2.417 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2cnn(C)c(=O)c2Br)cc1 ZINC000528141021 650686087 /nfs/dbraw/zinc/68/60/87/650686087.db2.gz SQDYGZKXGATGFI-CYBMUJFWSA-N 1 2 393.285 2.238 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H]2CNc2cnn(C)c(=O)c2Br)cc1 ZINC000528141021 650686089 /nfs/dbraw/zinc/68/60/89/650686089.db2.gz SQDYGZKXGATGFI-CYBMUJFWSA-N 1 2 393.285 2.238 20 0 GEADLO CN(CC(F)(F)F)C(=O)C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000485112773 650693394 /nfs/dbraw/zinc/69/33/94/650693394.db2.gz IPOSPZIYVBBBEW-UHFFFAOYSA-N 1 2 389.237 2.326 20 0 GEADLO CN(CC(F)(F)F)C(=O)C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000485112773 650693397 /nfs/dbraw/zinc/69/33/97/650693397.db2.gz IPOSPZIYVBBBEW-UHFFFAOYSA-N 1 2 389.237 2.326 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000528536619 650695091 /nfs/dbraw/zinc/69/50/91/650695091.db2.gz OUXKQKRDVJEBNR-UHFFFAOYSA-N 1 2 376.881 2.355 20 0 GEADLO NS(=O)(=O)c1ccc(N2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)cc1 ZINC000485699209 650699278 /nfs/dbraw/zinc/69/92/78/650699278.db2.gz XJSYFMGIPGDPOM-UHFFFAOYSA-N 1 2 383.876 2.449 20 0 GEADLO Cn1ncc(Br)c1C[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000486933355 650725750 /nfs/dbraw/zinc/72/57/50/650725750.db2.gz XBWZNYNDAXFQCA-UHFFFAOYSA-N 1 2 377.164 2.328 20 0 GEADLO Cn1ncc(Br)c1CNc1ccc[nH+]c1N1CCC(CO)CC1 ZINC000487559438 650735602 /nfs/dbraw/zinc/73/56/02/650735602.db2.gz NGBNXALFGQHZON-UHFFFAOYSA-N 1 2 380.290 2.398 20 0 GEADLO Cn1ncc(Br)c1C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000487570481 650735896 /nfs/dbraw/zinc/73/58/96/650735896.db2.gz KMTHOERXBKENNW-UHFFFAOYSA-N 1 2 399.314 2.012 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000531212732 650736323 /nfs/dbraw/zinc/73/63/23/650736323.db2.gz ULWQNMHUABIODF-HZPDHXFCSA-N 1 2 383.583 2.453 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2sccc2C1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000531212732 650736324 /nfs/dbraw/zinc/73/63/24/650736324.db2.gz ULWQNMHUABIODF-HZPDHXFCSA-N 1 2 383.583 2.453 20 0 GEADLO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000026461482 642433199 /nfs/dbraw/zinc/43/31/99/642433199.db2.gz UWGUYDINSFPLRZ-ZDUSSCGKSA-N 1 2 387.267 2.242 20 0 GEADLO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000026461482 642433202 /nfs/dbraw/zinc/43/32/02/642433202.db2.gz UWGUYDINSFPLRZ-ZDUSSCGKSA-N 1 2 387.267 2.242 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(Cl)nc1)[NH+]1CCOCC1 ZINC000028049606 642444145 /nfs/dbraw/zinc/44/41/45/642444145.db2.gz KCHAAJUMPVYXBN-OAHLLOKOSA-N 1 2 375.922 2.150 20 0 GEADLO C[N@H+](CCC(=O)Nc1ccccc1Br)Cc1nnc2n1CCC2 ZINC000533023985 650755561 /nfs/dbraw/zinc/75/55/61/650755561.db2.gz YZIRYHWLGXBDSG-UHFFFAOYSA-N 1 2 378.274 2.447 20 0 GEADLO C[N@@H+](CCC(=O)Nc1ccccc1Br)Cc1nnc2n1CCC2 ZINC000533023985 650755563 /nfs/dbraw/zinc/75/55/63/650755563.db2.gz YZIRYHWLGXBDSG-UHFFFAOYSA-N 1 2 378.274 2.447 20 0 GEADLO C[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F)[NH+]1CCSCC1 ZINC000532759412 650752563 /nfs/dbraw/zinc/75/25/63/650752563.db2.gz HNRQNLDOYQXHCG-DOMZBBRYSA-N 1 2 383.514 2.103 20 0 GEADLO O=S(=O)(c1cc(Br)cnc1Cl)N1CC[NH+](CC2CC2)CC1 ZINC000041066432 642525417 /nfs/dbraw/zinc/52/54/17/642525417.db2.gz PNQGVBIDRVFXMW-UHFFFAOYSA-N 1 2 394.722 2.214 20 0 GEADLO CC(=O)c1ccc(NC(=S)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000041746088 642531705 /nfs/dbraw/zinc/53/17/05/642531705.db2.gz QYRPXXAOOTXLCR-GOSISDBHSA-N 1 2 379.551 2.384 20 0 GEADLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000042641485 642554225 /nfs/dbraw/zinc/55/42/25/642554225.db2.gz JECQRKQZPUIAJA-CYBMUJFWSA-N 1 2 387.571 2.184 20 0 GEADLO CC[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000046071640 642603412 /nfs/dbraw/zinc/60/34/12/642603412.db2.gz JLEJTRTZRNWLPM-OAHLLOKOSA-N 1 2 382.917 2.189 20 0 GEADLO CC[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)[N@H+]1CCc2ccccc2C1 ZINC000046071640 642603417 /nfs/dbraw/zinc/60/34/17/642603417.db2.gz JLEJTRTZRNWLPM-OAHLLOKOSA-N 1 2 382.917 2.189 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000046946096 642620342 /nfs/dbraw/zinc/62/03/42/642620342.db2.gz IRCRRGFGLQKOFJ-CABCVRRESA-N 1 2 390.596 2.168 20 0 GEADLO COCCOc1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000534261203 650771490 /nfs/dbraw/zinc/77/14/90/650771490.db2.gz MWWASPKEKJUFHZ-INIZCTEOSA-N 1 2 394.269 2.186 20 0 GEADLO Cc1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1NS(=O)(=O)c1ccccc1 ZINC000490421680 650772453 /nfs/dbraw/zinc/77/24/53/650772453.db2.gz HMAYZWZBQYMRMI-MRXNPFEDSA-N 1 2 377.491 2.397 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCCOc1ccccc1Br ZINC000048221395 642647055 /nfs/dbraw/zinc/64/70/55/642647055.db2.gz AOFIGCGTEPLBQI-CQSZACIVSA-N 1 2 385.302 2.445 20 0 GEADLO NC(=O)c1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)cn1 ZINC000534454327 650775227 /nfs/dbraw/zinc/77/52/27/650775227.db2.gz QARDSNKXNSIRHA-UHFFFAOYSA-N 1 2 377.235 2.358 20 0 GEADLO Cn1cc(Cl)cc1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000050597029 642685608 /nfs/dbraw/zinc/68/56/08/642685608.db2.gz GUWCQPOHNWLXPA-UHFFFAOYSA-N 1 2 381.885 2.241 20 0 GEADLO N#Cc1ccsc1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000052227995 642713236 /nfs/dbraw/zinc/71/32/36/642713236.db2.gz HAVCXGDKWRKJSG-UHFFFAOYSA-N 1 2 375.475 2.182 20 0 GEADLO O=C(C[N@@H+]1CCc2sccc2C1)NCCNC(=O)c1ccccc1Cl ZINC000052432856 642718704 /nfs/dbraw/zinc/71/87/04/642718704.db2.gz LAXWYOYIJHBGSZ-UHFFFAOYSA-N 1 2 377.897 2.306 20 0 GEADLO O=C(C[N@H+]1CCc2sccc2C1)NCCNC(=O)c1ccccc1Cl ZINC000052432856 642718710 /nfs/dbraw/zinc/71/87/10/642718710.db2.gz LAXWYOYIJHBGSZ-UHFFFAOYSA-N 1 2 377.897 2.306 20 0 GEADLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000052453006 642719341 /nfs/dbraw/zinc/71/93/41/642719341.db2.gz GOWBTNIFPSKKAM-KRWDZBQOSA-N 1 2 394.313 2.277 20 0 GEADLO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000052453006 642719345 /nfs/dbraw/zinc/71/93/45/642719345.db2.gz GOWBTNIFPSKKAM-KRWDZBQOSA-N 1 2 394.313 2.277 20 0 GEADLO O=S(=O)(NCC[NH+]1CCC1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000491598452 650787693 /nfs/dbraw/zinc/78/76/93/650787693.db2.gz GWBXTLVIZBHCKQ-OAHLLOKOSA-N 1 2 388.917 2.272 20 0 GEADLO O=C(CCOc1cccc(Cl)c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000057210589 642808772 /nfs/dbraw/zinc/80/87/72/642808772.db2.gz RAJGSHNDOFHPEG-GOSISDBHSA-N 1 2 384.929 2.433 20 0 GEADLO NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000060782854 642838705 /nfs/dbraw/zinc/83/87/05/642838705.db2.gz DUBHAXALNSOCHE-UHFFFAOYSA-N 1 2 399.925 2.007 20 0 GEADLO CCN(C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000066883682 642945542 /nfs/dbraw/zinc/94/55/42/642945542.db2.gz OMPMITXQASONCX-CYBMUJFWSA-N 1 2 387.933 2.413 20 0 GEADLO Cc1cc(N)nc(SCc2nnnn2-c2ccccc2Br)[nH+]1 ZINC000067952415 642985486 /nfs/dbraw/zinc/98/54/86/642985486.db2.gz HWVINACVQQGWPF-UHFFFAOYSA-N 1 2 378.259 2.398 20 0 GEADLO CN(CC(F)(F)F)C(=O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494274186 650803414 /nfs/dbraw/zinc/80/34/14/650803414.db2.gz OBXYDYWOFYGDHY-UHFFFAOYSA-N 1 2 389.237 2.326 20 0 GEADLO CN(CC(F)(F)F)C(=O)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494274186 650803417 /nfs/dbraw/zinc/80/34/17/650803417.db2.gz OBXYDYWOFYGDHY-UHFFFAOYSA-N 1 2 389.237 2.326 20 0 GEADLO CCCNC(=O)CN(C)C(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494274919 650803653 /nfs/dbraw/zinc/80/36/53/650803653.db2.gz UQIVPPYKWGMEJX-UHFFFAOYSA-N 1 2 388.281 2.005 20 0 GEADLO CCCNC(=O)CN(C)C(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494274919 650803656 /nfs/dbraw/zinc/80/36/56/650803656.db2.gz UQIVPPYKWGMEJX-UHFFFAOYSA-N 1 2 388.281 2.005 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000068505601 643003868 /nfs/dbraw/zinc/00/38/68/643003868.db2.gz QICLFVKCDOARSR-UHFFFAOYSA-N 1 2 379.309 2.232 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000069253529 643026594 /nfs/dbraw/zinc/02/65/94/643026594.db2.gz JIBDUBYIZXFTAY-UHFFFAOYSA-N 1 2 377.869 2.110 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(C(F)F)c2)CC1 ZINC000069301750 643028897 /nfs/dbraw/zinc/02/88/97/643028897.db2.gz MSTZJRDWQYESRY-UHFFFAOYSA-N 1 2 375.441 2.255 20 0 GEADLO CC1(C)CN(CCS(=O)(=O)CC[N@@H+]2CCSC(C)(C)C2)CCS1 ZINC000083419547 643065290 /nfs/dbraw/zinc/06/52/90/643065290.db2.gz ASQOAWCGTVTGGL-UHFFFAOYSA-N 1 2 380.645 2.056 20 0 GEADLO CC1(C)CN(CCS(=O)(=O)CC[N@H+]2CCSC(C)(C)C2)CCS1 ZINC000083419547 643065295 /nfs/dbraw/zinc/06/52/95/643065295.db2.gz ASQOAWCGTVTGGL-UHFFFAOYSA-N 1 2 380.645 2.056 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)c2cnn3cc(Br)cnc23)c1C ZINC000094071238 643086389 /nfs/dbraw/zinc/08/63/89/643086389.db2.gz QBDFZFUKVILLQV-UHFFFAOYSA-N 1 2 390.241 2.442 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)Cc1ccc(Cl)nc1)[NH+]1CCOCC1 ZINC000101570792 643108926 /nfs/dbraw/zinc/10/89/26/643108926.db2.gz DXQZGCSLXIAGBZ-INIZCTEOSA-N 1 2 389.949 2.291 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2cc(Br)ccc2F)CCO1 ZINC000494679444 650814188 /nfs/dbraw/zinc/81/41/88/650814188.db2.gz FCBIWSLWDFKSEX-CQSZACIVSA-N 1 2 388.281 2.498 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(Br)ccc2F)CCO1 ZINC000494679444 650814190 /nfs/dbraw/zinc/81/41/90/650814190.db2.gz FCBIWSLWDFKSEX-CQSZACIVSA-N 1 2 388.281 2.498 20 0 GEADLO CC[C@@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1nc(C)cs1 ZINC000104791436 643194217 /nfs/dbraw/zinc/19/42/17/643194217.db2.gz RXVIAPUNELYVCS-RHSMWYFYSA-N 1 2 384.571 2.410 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccccc1I ZINC000105347905 643203446 /nfs/dbraw/zinc/20/34/46/643203446.db2.gz OYHYLKBRABLGSW-UHFFFAOYSA-N 1 2 389.237 2.087 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)N(C)C1CCCCC1)[NH+]1CCOCC1 ZINC000105935612 643215578 /nfs/dbraw/zinc/21/55/78/643215578.db2.gz NQDBBFDJRGYTCX-GOSISDBHSA-N 1 2 375.579 2.222 20 0 GEADLO Cc1ccc(N2CCC[N@H+](CC(=O)NCc3ccc(Cl)s3)CC2)nn1 ZINC000106071981 643219814 /nfs/dbraw/zinc/21/98/14/643219814.db2.gz ADYDNZHNFDRCQD-UHFFFAOYSA-N 1 2 379.917 2.328 20 0 GEADLO Cc1ccc(N2CCC[N@@H+](CC(=O)NCc3ccc(Cl)s3)CC2)nn1 ZINC000106071981 643219818 /nfs/dbraw/zinc/21/98/18/643219818.db2.gz ADYDNZHNFDRCQD-UHFFFAOYSA-N 1 2 379.917 2.328 20 0 GEADLO C[C@H]1Cc2cc(S(=O)(=O)NCC[N@@H+]3CCc4sccc4C3)ccc2O1 ZINC000106228421 643226058 /nfs/dbraw/zinc/22/60/58/643226058.db2.gz LUCFFDLHBJIHHQ-ZDUSSCGKSA-N 1 2 378.519 2.408 20 0 GEADLO C[C@H]1Cc2cc(S(=O)(=O)NCC[N@H+]3CCc4sccc4C3)ccc2O1 ZINC000106228421 643226063 /nfs/dbraw/zinc/22/60/63/643226063.db2.gz LUCFFDLHBJIHHQ-ZDUSSCGKSA-N 1 2 378.519 2.408 20 0 GEADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccccc3Br)C2)CC1 ZINC000106548945 643233632 /nfs/dbraw/zinc/23/36/32/643233632.db2.gz GETOHULFNSPEQJ-MRXNPFEDSA-N 1 2 395.345 2.371 20 0 GEADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(F)c(Br)c3)C2)CC1 ZINC000106799401 643238904 /nfs/dbraw/zinc/23/89/04/643238904.db2.gz YMDHJCPNYSMLKS-OAHLLOKOSA-N 1 2 398.320 2.369 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1sccc1S(=O)(=O)C(F)F ZINC000108257220 643268714 /nfs/dbraw/zinc/26/87/14/643268714.db2.gz YSCNMCWJBGWLNH-UHFFFAOYSA-N 1 2 389.449 2.250 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000108313102 643270767 /nfs/dbraw/zinc/27/07/67/643270767.db2.gz GOQLYRRKPBJDAH-OAHLLOKOSA-N 1 2 391.269 2.205 20 0 GEADLO O=S(=O)(c1ccccc1F)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000108851354 643283983 /nfs/dbraw/zinc/28/39/83/643283983.db2.gz KVVWYUOLLMROTQ-UHFFFAOYSA-N 1 2 384.395 2.101 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1ccc(Br)cc1 ZINC000111292831 643332084 /nfs/dbraw/zinc/33/20/84/643332084.db2.gz YJXLTLKZEKTQPP-OAHLLOKOSA-N 1 2 380.286 2.474 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1ccc(Br)cc1 ZINC000111292831 643332088 /nfs/dbraw/zinc/33/20/88/643332088.db2.gz YJXLTLKZEKTQPP-OAHLLOKOSA-N 1 2 380.286 2.474 20 0 GEADLO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111305607 643332227 /nfs/dbraw/zinc/33/22/27/643332227.db2.gz QGDLBDZHICFCON-JLJPHGGASA-N 1 2 384.929 2.163 20 0 GEADLO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111305607 643332234 /nfs/dbraw/zinc/33/22/34/643332234.db2.gz QGDLBDZHICFCON-JLJPHGGASA-N 1 2 384.929 2.163 20 0 GEADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)c3c(C)noc3C)CC2)cs1 ZINC000111357688 643337769 /nfs/dbraw/zinc/33/77/69/643337769.db2.gz CBFJESGTWDHYAC-UHFFFAOYSA-N 1 2 384.527 2.247 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000111456285 643340476 /nfs/dbraw/zinc/34/04/76/643340476.db2.gz WFKFDJKYFYZBMT-IAQYHMDHSA-N 1 2 376.284 2.047 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000111788401 643346507 /nfs/dbraw/zinc/34/65/07/643346507.db2.gz QZFRYTVMBIRBHS-ZDUSSCGKSA-N 1 2 378.274 2.224 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](C)CCN1CCCC1=O)c1ccc(Br)cc1 ZINC000112703772 643369219 /nfs/dbraw/zinc/36/92/19/643369219.db2.gz GAYQESLCJAPILA-CYBMUJFWSA-N 1 2 382.302 2.181 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](C)CCN1CCCC1=O)c1ccc(Br)cc1 ZINC000112703772 643369223 /nfs/dbraw/zinc/36/92/23/643369223.db2.gz GAYQESLCJAPILA-CYBMUJFWSA-N 1 2 382.302 2.181 20 0 GEADLO CCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H](C)CS(C)(=O)=O ZINC000112740516 643372082 /nfs/dbraw/zinc/37/20/82/643372082.db2.gz RITKYEWJXYPVNW-LSDHHAIUSA-N 1 2 387.571 2.350 20 0 GEADLO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000113301017 643392909 /nfs/dbraw/zinc/39/29/09/643392909.db2.gz YQLDRDJQYXGEPW-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000113301017 643392916 /nfs/dbraw/zinc/39/29/16/643392916.db2.gz YQLDRDJQYXGEPW-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000114454964 643418647 /nfs/dbraw/zinc/41/86/47/643418647.db2.gz WGSOGBQKKOBYHT-AAEUAGOBSA-N 1 2 392.677 2.480 20 0 GEADLO COC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000114454964 643418651 /nfs/dbraw/zinc/41/86/51/643418651.db2.gz WGSOGBQKKOBYHT-AAEUAGOBSA-N 1 2 392.677 2.480 20 0 GEADLO Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)NC(=O)NCC(F)(F)F)cc1 ZINC000116326047 643457111 /nfs/dbraw/zinc/45/71/11/643457111.db2.gz TUOSGZJQBSVORX-CYBMUJFWSA-N 1 2 375.416 2.473 20 0 GEADLO Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)NC(=O)NCC(F)(F)F)cc1 ZINC000116326047 643457115 /nfs/dbraw/zinc/45/71/15/643457115.db2.gz TUOSGZJQBSVORX-CYBMUJFWSA-N 1 2 375.416 2.473 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000116401367 643462425 /nfs/dbraw/zinc/46/24/25/643462425.db2.gz RFRNXLFSQVAQTL-KGLIPLIRSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000116401367 643462430 /nfs/dbraw/zinc/46/24/30/643462430.db2.gz RFRNXLFSQVAQTL-KGLIPLIRSA-N 1 2 385.258 2.040 20 0 GEADLO Cc1csc(C(C)(C)NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000116536154 643465153 /nfs/dbraw/zinc/46/51/53/643465153.db2.gz LDHNIEXIKIMIQN-KRWDZBQOSA-N 1 2 384.571 2.194 20 0 GEADLO CC[C@]1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC[NH2+]C1 ZINC000119557165 643557005 /nfs/dbraw/zinc/55/70/05/643557005.db2.gz DXHJXAUSGNPOMN-INIZCTEOSA-N 1 2 380.495 2.272 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(F)ccc2Br)C[C@@H]1C ZINC000539774348 650849822 /nfs/dbraw/zinc/84/98/22/650849822.db2.gz QSUIAQRBSKJROZ-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(F)ccc2Br)C[C@@H]1C ZINC000539774348 650849823 /nfs/dbraw/zinc/84/98/23/650849823.db2.gz QSUIAQRBSKJROZ-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO C[C@]([NH2+]CC(=O)Nc1ccc(Br)cc1)(C(N)=O)c1ccccc1 ZINC000120007869 643584939 /nfs/dbraw/zinc/58/49/39/643584939.db2.gz FUWSRCVQHQPDFB-QGZVFWFLSA-N 1 2 376.254 2.378 20 0 GEADLO Cc1noc([C@H]([NH2+]CC(=O)NCc2ccc(Cl)s2)C2CCOCC2)n1 ZINC000498341798 650854510 /nfs/dbraw/zinc/85/45/10/650854510.db2.gz FRWQNNFHYIIKJB-OAHLLOKOSA-N 1 2 384.889 2.467 20 0 GEADLO Cn1cnc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1Cl ZINC000121749232 643639614 /nfs/dbraw/zinc/63/96/14/643639614.db2.gz FYDUTLOHMJDRGV-CHWSQXEVSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1cnc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1Cl ZINC000121749232 643639619 /nfs/dbraw/zinc/63/96/19/643639619.db2.gz FYDUTLOHMJDRGV-CHWSQXEVSA-N 1 2 389.308 2.451 20 0 GEADLO CNC(=O)Cc1nc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cs1 ZINC000541051983 650869866 /nfs/dbraw/zinc/86/98/66/650869866.db2.gz QSFBSMDFUHMDBH-ZDUSSCGKSA-N 1 2 384.299 2.017 20 0 GEADLO CN(CCCn1cc[nH+]c1)Cc1nnnn1-c1ccccc1Br ZINC000130402224 643838290 /nfs/dbraw/zinc/83/82/90/643838290.db2.gz WFNAMZAWSBWVES-UHFFFAOYSA-N 1 2 376.262 2.143 20 0 GEADLO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000130595534 643844924 /nfs/dbraw/zinc/84/49/24/643844924.db2.gz XAQJJRWXFWKDJF-OAHLLOKOSA-N 1 2 396.329 2.398 20 0 GEADLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000130595534 643844926 /nfs/dbraw/zinc/84/49/26/643844926.db2.gz XAQJJRWXFWKDJF-OAHLLOKOSA-N 1 2 396.329 2.398 20 0 GEADLO CSCC[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1nnc2ccccn21 ZINC000130795503 643851408 /nfs/dbraw/zinc/85/14/08/643851408.db2.gz DSYDBJQJQZZTCY-KBPBESRZSA-N 1 2 379.555 2.077 20 0 GEADLO O=C(NC[C@H]1CCCCS1(=O)=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000541428145 650875842 /nfs/dbraw/zinc/87/58/42/650875842.db2.gz FZCWDWFQDKMZMP-CQSZACIVSA-N 1 2 386.543 2.218 20 0 GEADLO O=C(C[C@H]1CSCCS1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000131072323 643862214 /nfs/dbraw/zinc/86/22/14/643862214.db2.gz IEOREEYYADYCHM-MSOLQXFVSA-N 1 2 380.579 2.285 20 0 GEADLO O=C(C[C@H]1CSCCS1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000131072093 643862337 /nfs/dbraw/zinc/86/23/37/643862337.db2.gz IEOREEYYADYCHM-ROUUACIJSA-N 1 2 380.579 2.285 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(C(=O)OC)co2)s1 ZINC000541770638 650879890 /nfs/dbraw/zinc/87/98/90/650879890.db2.gz PMLYOMOPKMTWDA-UHFFFAOYSA-N 1 2 386.495 2.448 20 0 GEADLO O=C1C(=O)N(CN2CCC(n3cc[nH+]c3)CC2)c2cccc(Br)c21 ZINC000152073787 643963626 /nfs/dbraw/zinc/96/36/26/643963626.db2.gz WJKGDCCZTKOJLQ-UHFFFAOYSA-N 1 2 389.253 2.470 20 0 GEADLO NC(=O)C[NH+]1CCC(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000152746375 643972303 /nfs/dbraw/zinc/97/23/03/643972303.db2.gz QXMKTFNJCBAFDR-UHFFFAOYSA-N 1 2 392.308 2.084 20 0 GEADLO C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)Cn1cc[nH+]c1 ZINC000153669309 643999175 /nfs/dbraw/zinc/99/91/75/643999175.db2.gz SNDYMAHDJAFSGC-MNOVXSKESA-N 1 2 399.314 2.278 20 0 GEADLO COc1nc(N2CC[NH+](Cc3ccc(C)nc3)CC2)ncc1Br ZINC000153847970 644008230 /nfs/dbraw/zinc/00/82/30/644008230.db2.gz PRSFVXFOPRFEJK-UHFFFAOYSA-N 1 2 378.274 2.273 20 0 GEADLO O=C(NCCC[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000154324676 644035192 /nfs/dbraw/zinc/03/51/92/644035192.db2.gz MGJPTYRZEDOBPK-UHFFFAOYSA-N 1 2 377.794 2.166 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000155103068 644063926 /nfs/dbraw/zinc/06/39/26/644063926.db2.gz BXBQOBTXZGNRFY-NSHDSACASA-N 1 2 399.314 2.374 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@H](S(=O)(=O)NC)C3)c2cc1Cl ZINC000155777606 644080807 /nfs/dbraw/zinc/08/08/07/644080807.db2.gz ZIKKEZCFUHGWMQ-ZDUSSCGKSA-N 1 2 384.885 2.132 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@H+]3CC[C@H](S(=O)(=O)NC)C3)c2cc1Cl ZINC000155777606 644080810 /nfs/dbraw/zinc/08/08/10/644080810.db2.gz ZIKKEZCFUHGWMQ-ZDUSSCGKSA-N 1 2 384.885 2.132 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cc(Br)c(=O)n(C)c2)c1C ZINC000156235968 644086955 /nfs/dbraw/zinc/08/69/55/644086955.db2.gz RAMQUVSDJQFIFI-UHFFFAOYSA-N 1 2 395.257 2.490 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000158761688 644158178 /nfs/dbraw/zinc/15/81/78/644158178.db2.gz FJEVYCRKBXJIIT-PHIMTYICSA-N 1 2 382.313 2.166 20 0 GEADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000158761688 644158183 /nfs/dbraw/zinc/15/81/83/644158183.db2.gz FJEVYCRKBXJIIT-PHIMTYICSA-N 1 2 382.313 2.166 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000159003449 644171890 /nfs/dbraw/zinc/17/18/90/644171890.db2.gz NMFCOLHEIIQBAG-LLVKDONJSA-N 1 2 385.839 2.364 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000159003449 644171892 /nfs/dbraw/zinc/17/18/92/644171892.db2.gz NMFCOLHEIIQBAG-LLVKDONJSA-N 1 2 385.839 2.364 20 0 GEADLO O=C1[C@@H]([NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)CCN1C1CC1 ZINC000161675370 644214866 /nfs/dbraw/zinc/21/48/66/644214866.db2.gz LNFRMNFNLUMFNI-KRWDZBQOSA-N 1 2 396.304 2.469 20 0 GEADLO CN(C(=O)C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1)C1CC1 ZINC000161738061 644218307 /nfs/dbraw/zinc/21/83/07/644218307.db2.gz KZQVTIXIPBQCSN-UHFFFAOYSA-N 1 2 384.293 2.327 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163408375 644255050 /nfs/dbraw/zinc/25/50/50/644255050.db2.gz VWSLFBZGHDSDHF-AWEZNQCLSA-N 1 2 384.299 2.121 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163408375 644255055 /nfs/dbraw/zinc/25/50/55/644255055.db2.gz VWSLFBZGHDSDHF-AWEZNQCLSA-N 1 2 384.299 2.121 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)NC[C@]2(O)CCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000164517327 644265965 /nfs/dbraw/zinc/26/59/65/644265965.db2.gz JWGDYTGYPRKTKV-YQQAZPJKSA-N 1 2 387.908 2.392 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)NC[C@]2(O)CCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000164517327 644265970 /nfs/dbraw/zinc/26/59/70/644265970.db2.gz JWGDYTGYPRKTKV-YQQAZPJKSA-N 1 2 387.908 2.392 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000172797538 644344179 /nfs/dbraw/zinc/34/41/79/644344179.db2.gz XDCMVVHDWLDDTB-SNVBAGLBSA-N 1 2 381.263 2.472 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000172797538 644344182 /nfs/dbraw/zinc/34/41/82/644344182.db2.gz XDCMVVHDWLDDTB-SNVBAGLBSA-N 1 2 381.263 2.472 20 0 GEADLO COCC[N@@H+]1CC[C@H](NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000543654338 650917242 /nfs/dbraw/zinc/91/72/42/650917242.db2.gz MUJSRLANODMISZ-NSHDSACASA-N 1 2 381.889 2.123 20 0 GEADLO COCC[N@H+]1CC[C@H](NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000543654338 650917251 /nfs/dbraw/zinc/91/72/51/650917251.db2.gz MUJSRLANODMISZ-NSHDSACASA-N 1 2 381.889 2.123 20 0 GEADLO COCC[C@H](C)S(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000543834690 650925525 /nfs/dbraw/zinc/92/55/25/650925525.db2.gz OYIMLRAEOKSUEN-ZDUSSCGKSA-N 1 2 376.469 2.274 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCSC[C@@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000544124459 650934939 /nfs/dbraw/zinc/93/49/39/650934939.db2.gz YJASQOVASFCOMR-AAEUAGOBSA-N 1 2 378.416 2.172 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCSC[C@@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000544124459 650934940 /nfs/dbraw/zinc/93/49/40/650934940.db2.gz YJASQOVASFCOMR-AAEUAGOBSA-N 1 2 378.416 2.172 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000544653772 650948205 /nfs/dbraw/zinc/94/82/05/650948205.db2.gz VOJUMBJHWOFSHN-GHMZBOCLSA-N 1 2 389.315 2.097 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000544653772 650948211 /nfs/dbraw/zinc/94/82/11/650948211.db2.gz VOJUMBJHWOFSHN-GHMZBOCLSA-N 1 2 389.315 2.097 20 0 GEADLO C[C@@H](NC(=O)NCCNc1cccc(Br)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000182709941 644968540 /nfs/dbraw/zinc/96/85/40/644968540.db2.gz IQCDYKVVEOKPMH-ZIAGYGMSSA-N 1 2 399.333 2.269 20 0 GEADLO CNc1nnc(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000184113699 645009795 /nfs/dbraw/zinc/00/97/95/645009795.db2.gz QBZWQMYBKCLIEL-IUODEOHRSA-N 1 2 383.880 2.476 20 0 GEADLO CNc1nnc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000184113699 645009798 /nfs/dbraw/zinc/00/97/98/645009798.db2.gz QBZWQMYBKCLIEL-IUODEOHRSA-N 1 2 383.880 2.476 20 0 GEADLO CSCC[C@H]([NH2+]CC(=O)NCc1cccs1)c1nnc2ccccn21 ZINC000184599015 645022381 /nfs/dbraw/zinc/02/23/81/645022381.db2.gz PLQPOSFOUULHAK-AWEZNQCLSA-N 1 2 375.523 2.491 20 0 GEADLO CSCC[C@H]([NH2+]CC(=O)N(C)c1nccs1)c1nnc2ccccn21 ZINC000184607411 645022495 /nfs/dbraw/zinc/02/24/95/645022495.db2.gz HGFFZDYJAACXAH-LBPRGKRZSA-N 1 2 376.511 2.233 20 0 GEADLO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2ccc(Br)o2)CC1 ZINC000545364396 650971602 /nfs/dbraw/zinc/97/16/02/650971602.db2.gz TVXDPKBMXZPNSK-UHFFFAOYSA-N 1 2 395.319 2.210 20 0 GEADLO C[C@@H](CNC(=O)c1ccc(I)c(O)c1)Cn1cc[nH+]c1 ZINC000545506044 650977456 /nfs/dbraw/zinc/97/74/56/650977456.db2.gz FQNAXPHLLZFTFJ-JTQLQIEISA-N 1 2 385.205 2.259 20 0 GEADLO Cc1cc(Br)cn2cc(CCNS(=O)(=O)CCCF)[nH+]c12 ZINC000545369022 650972244 /nfs/dbraw/zinc/97/22/44/650972244.db2.gz SFYOSCKRCLHNHB-UHFFFAOYSA-N 1 2 378.267 2.227 20 0 GEADLO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000186077832 645059821 /nfs/dbraw/zinc/05/98/21/645059821.db2.gz WYOYYKIIQUHHGB-VIFPVBQESA-N 1 2 384.267 2.006 20 0 GEADLO CCN(C)C(=O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000187676458 645097649 /nfs/dbraw/zinc/09/76/49/645097649.db2.gz JXOHULVYNYDKSK-UHFFFAOYSA-N 1 2 380.080 2.485 20 0 GEADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000188061265 645106680 /nfs/dbraw/zinc/10/66/80/645106680.db2.gz OOIVSIWVLDAAOE-UHFFFAOYSA-N 1 2 382.873 2.039 20 0 GEADLO Cc1cc(Br)ccc1SCC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188785518 645125176 /nfs/dbraw/zinc/12/51/76/645125176.db2.gz ZLIZAVAYQFJFLP-CYBMUJFWSA-N 1 2 387.343 2.375 20 0 GEADLO Cc1cc(Br)ccc1SCC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188785518 645125178 /nfs/dbraw/zinc/12/51/78/645125178.db2.gz ZLIZAVAYQFJFLP-CYBMUJFWSA-N 1 2 387.343 2.375 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1ccc(SC(F)(F)F)cc1 ZINC000189089976 645132051 /nfs/dbraw/zinc/13/20/51/645132051.db2.gz UNXJJVJNGXUUNG-UHFFFAOYSA-N 1 2 384.445 2.299 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1ccc(SC(F)(F)F)cc1 ZINC000189089976 645132056 /nfs/dbraw/zinc/13/20/56/645132056.db2.gz UNXJJVJNGXUUNG-UHFFFAOYSA-N 1 2 384.445 2.299 20 0 GEADLO Cn1c[nH+]cc1Cc1noc(-c2ccc(S(C)(=O)=O)c(Br)c2)n1 ZINC000545845994 650981924 /nfs/dbraw/zinc/98/19/24/650981924.db2.gz NIXAVLRAJKLELI-UHFFFAOYSA-N 1 2 397.254 2.227 20 0 GEADLO CCC(=O)CC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000190229051 645148436 /nfs/dbraw/zinc/14/84/36/645148436.db2.gz HKOBGGVMFYAVCH-UHFFFAOYSA-N 1 2 383.286 2.341 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)C1=Cc2ccccc2OC1 ZINC000191908644 645186231 /nfs/dbraw/zinc/18/62/31/645186231.db2.gz FMJOUIARUPZNSW-UHFFFAOYSA-N 1 2 376.503 2.459 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2sccc2C1)C1=Cc2ccccc2OC1 ZINC000191908644 645186238 /nfs/dbraw/zinc/18/62/38/645186238.db2.gz FMJOUIARUPZNSW-UHFFFAOYSA-N 1 2 376.503 2.459 20 0 GEADLO CC[NH+](CC)[C@H](CNS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1ccccc1Cl ZINC000192006175 645189971 /nfs/dbraw/zinc/18/99/71/645189971.db2.gz NCDATEXWKSUXTH-XJKSGUPXSA-N 1 2 389.949 2.119 20 0 GEADLO CS(=O)(=O)Cc1noc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192096525 645192622 /nfs/dbraw/zinc/19/26/22/645192622.db2.gz HZEWTWICJJOGND-IUODEOHRSA-N 1 2 389.836 2.027 20 0 GEADLO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ncccc3Br)CC2)cn1 ZINC000193174078 645248544 /nfs/dbraw/zinc/24/85/44/645248544.db2.gz LDLLSUYGNXLSOP-UHFFFAOYSA-N 1 2 392.301 2.409 20 0 GEADLO CCn1cc(C[N@H+]2CCCN(C(=O)c3ncccc3Br)CC2)cn1 ZINC000193174078 645248552 /nfs/dbraw/zinc/24/85/52/645248552.db2.gz LDLLSUYGNXLSOP-UHFFFAOYSA-N 1 2 392.301 2.409 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000193224019 645253034 /nfs/dbraw/zinc/25/30/34/645253034.db2.gz BKOLTKYKNCTZOB-UHFFFAOYSA-N 1 2 393.285 2.270 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000193224019 645253039 /nfs/dbraw/zinc/25/30/39/645253039.db2.gz BKOLTKYKNCTZOB-UHFFFAOYSA-N 1 2 393.285 2.270 20 0 GEADLO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCN(c2cccc[nH+]2)CC1 ZINC000193424340 645272020 /nfs/dbraw/zinc/27/20/20/645272020.db2.gz GVUNBJRYRBSOMX-MRXNPFEDSA-N 1 2 388.265 2.496 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@H](C)O1 ZINC000194020703 645308226 /nfs/dbraw/zinc/30/82/26/645308226.db2.gz UAAZYZBUHBFSGI-BETUJISGSA-N 1 2 378.897 2.350 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@H](C)O1 ZINC000194020703 645308230 /nfs/dbraw/zinc/30/82/30/645308230.db2.gz UAAZYZBUHBFSGI-BETUJISGSA-N 1 2 378.897 2.350 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194373793 645325012 /nfs/dbraw/zinc/32/50/12/645325012.db2.gz TUNJXVBGFZCVKZ-QGZVFWFLSA-N 1 2 397.313 2.322 20 0 GEADLO Oc1c(Br)cc(C[NH2+]C[C@@]2(O)CCOC2)cc1Br ZINC000227120698 645392231 /nfs/dbraw/zinc/39/22/31/645392231.db2.gz CIWKPKCZZUHPNP-LBPRGKRZSA-N 1 2 381.064 2.158 20 0 GEADLO O=c1cc(C[NH2+][C@@H](CCO)c2ccco2)nc2ccc(Br)cn12 ZINC000546682015 651006960 /nfs/dbraw/zinc/00/69/60/651006960.db2.gz XYVQSWAAJPVJHP-ZDUSSCGKSA-N 1 2 378.226 2.263 20 0 GEADLO Cn1cnc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1Cl ZINC000245548808 645461074 /nfs/dbraw/zinc/46/10/74/645461074.db2.gz FYDUTLOHMJDRGV-OLZOCXBDSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1cnc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1Cl ZINC000245548808 645461076 /nfs/dbraw/zinc/46/10/76/645461076.db2.gz FYDUTLOHMJDRGV-OLZOCXBDSA-N 1 2 389.308 2.451 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)CSc2nncs2)c2ccc(Cl)cc2)C1 ZINC000245759883 645468805 /nfs/dbraw/zinc/46/88/05/645468805.db2.gz PUMDLXHKNQQIHA-HIFRSBDPSA-N 1 2 398.941 2.472 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)CSc2nncs2)c2ccc(Cl)cc2)C1 ZINC000245759883 645468809 /nfs/dbraw/zinc/46/88/09/645468809.db2.gz PUMDLXHKNQQIHA-HIFRSBDPSA-N 1 2 398.941 2.472 20 0 GEADLO O=C1OCC[C@@H]1CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000246362052 645481374 /nfs/dbraw/zinc/48/13/74/645481374.db2.gz HEANRUBINSBFKT-LBPRGKRZSA-N 1 2 392.930 2.051 20 0 GEADLO O=C1OCC[C@@H]1CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000246362052 645481377 /nfs/dbraw/zinc/48/13/77/645481377.db2.gz HEANRUBINSBFKT-LBPRGKRZSA-N 1 2 392.930 2.051 20 0 GEADLO C[C@@H]1CCCC[N@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000248540751 645530810 /nfs/dbraw/zinc/53/08/10/645530810.db2.gz BMYXXVOFOBNEIU-CVEARBPZSA-N 1 2 384.567 2.386 20 0 GEADLO C[C@@H]1CCCC[N@@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000248540751 645530823 /nfs/dbraw/zinc/53/08/23/645530823.db2.gz BMYXXVOFOBNEIU-CVEARBPZSA-N 1 2 384.567 2.386 20 0 GEADLO O=S(=O)([C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1)N1CCCC1 ZINC000248566742 645531621 /nfs/dbraw/zinc/53/16/21/645531621.db2.gz PDNNMQNOQOHQTG-CZUORRHYSA-N 1 2 376.881 2.012 20 0 GEADLO O=S(=O)([C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1)N1CCCC1 ZINC000248566742 645531628 /nfs/dbraw/zinc/53/16/28/645531628.db2.gz PDNNMQNOQOHQTG-CZUORRHYSA-N 1 2 376.881 2.012 20 0 GEADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000249711890 645558241 /nfs/dbraw/zinc/55/82/41/645558241.db2.gz FJSFNZNEYLRQSL-DOMZBBRYSA-N 1 2 398.301 2.447 20 0 GEADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000249711890 645558244 /nfs/dbraw/zinc/55/82/44/645558244.db2.gz FJSFNZNEYLRQSL-DOMZBBRYSA-N 1 2 398.301 2.447 20 0 GEADLO Cc1cc(Br)cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261617176 645589965 /nfs/dbraw/zinc/58/99/65/645589965.db2.gz BKTWMGLSRGDWGT-MRXNPFEDSA-N 1 2 396.310 2.488 20 0 GEADLO O=S(=O)(c1cnn(CC(F)F)c1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261715785 645595848 /nfs/dbraw/zinc/59/58/48/645595848.db2.gz MXKVRYPQQBDTPG-AWEZNQCLSA-N 1 2 390.843 2.137 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)cc1 ZINC000264818062 645721279 /nfs/dbraw/zinc/72/12/79/645721279.db2.gz CJCLCHAMWPXADI-UHFFFAOYSA-N 1 2 383.495 2.221 20 0 GEADLO CCN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H](C)CS(C)(=O)=O ZINC000264828249 645723022 /nfs/dbraw/zinc/72/30/22/645723022.db2.gz PQQPMBAKNVAFRV-ZDUSSCGKSA-N 1 2 388.559 2.416 20 0 GEADLO OCC1([NH2+]Cc2noc(Cc3ccc(Br)cc3)n2)CCOCC1 ZINC000264922252 645728019 /nfs/dbraw/zinc/72/80/19/645728019.db2.gz KLTUVPHWMFHQNS-UHFFFAOYSA-N 1 2 382.258 2.054 20 0 GEADLO CN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000547857902 651048047 /nfs/dbraw/zinc/04/80/47/651048047.db2.gz URCSLVJHLJYHRQ-DOMZBBRYSA-N 1 2 383.901 2.047 20 0 GEADLO CN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000547857902 651048053 /nfs/dbraw/zinc/04/80/53/651048053.db2.gz URCSLVJHLJYHRQ-DOMZBBRYSA-N 1 2 383.901 2.047 20 0 GEADLO Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)s1 ZINC000266180838 645831031 /nfs/dbraw/zinc/83/10/31/645831031.db2.gz LFUAPFJFNXQIEA-LLVKDONJSA-N 1 2 377.329 2.454 20 0 GEADLO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1Cl ZINC000267228134 645889877 /nfs/dbraw/zinc/88/98/77/645889877.db2.gz RCFYKJJAPULWTR-HNNXBMFYSA-N 1 2 385.873 2.473 20 0 GEADLO C[C@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)C[C@H]1[NH+]1CCOCC1 ZINC000267566192 645908376 /nfs/dbraw/zinc/90/83/76/645908376.db2.gz HPJRPWVZSUJLIM-WCQYABFASA-N 1 2 379.511 2.451 20 0 GEADLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)S(=O)(=O)Cc1c[nH+]cn1C ZINC000268134851 645946639 /nfs/dbraw/zinc/94/66/39/645946639.db2.gz BIKIJOBFZUIAQA-LLVKDONJSA-N 1 2 385.873 2.333 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CS(=O)(=O)Cc1c[nH+]cn1C ZINC000268213695 645953959 /nfs/dbraw/zinc/95/39/59/645953959.db2.gz RABZUTIFPWZQHA-UHFFFAOYSA-N 1 2 390.292 2.300 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@]3(C)CCS(=O)(=O)C3)n2)C1 ZINC000268510589 645971550 /nfs/dbraw/zinc/97/15/50/645971550.db2.gz RUTFFWFFJVLKJE-MLGOLLRUSA-N 1 2 386.543 2.074 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@]3(C)CCS(=O)(=O)C3)n2)C1 ZINC000268510589 645971555 /nfs/dbraw/zinc/97/15/55/645971555.db2.gz RUTFFWFFJVLKJE-MLGOLLRUSA-N 1 2 386.543 2.074 20 0 GEADLO CSc1nsc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)n1 ZINC000268578396 645980009 /nfs/dbraw/zinc/98/00/09/645980009.db2.gz JAHRGPNVMUECSF-UHFFFAOYSA-N 1 2 379.511 2.414 20 0 GEADLO Cn1cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(Br)c1=O ZINC000268673448 645987621 /nfs/dbraw/zinc/98/76/21/645987621.db2.gz YAXUQZYQIOILHN-SNVBAGLBSA-N 1 2 380.246 2.282 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000270482538 646110544 /nfs/dbraw/zinc/11/05/44/646110544.db2.gz NKGPYWRFJNKYJC-AWEZNQCLSA-N 1 2 392.253 2.104 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000270482538 646110549 /nfs/dbraw/zinc/11/05/49/646110549.db2.gz NKGPYWRFJNKYJC-AWEZNQCLSA-N 1 2 392.253 2.104 20 0 GEADLO COC(C[N@H+](CCCO)Cc1cc2c(cc1Br)OCCO2)OC ZINC000272766786 646285451 /nfs/dbraw/zinc/28/54/51/646285451.db2.gz RUBDQQCERQILLK-UHFFFAOYSA-N 1 2 390.274 2.024 20 0 GEADLO COC(C[N@@H+](CCCO)Cc1cc2c(cc1Br)OCCO2)OC ZINC000272766786 646285455 /nfs/dbraw/zinc/28/54/55/646285455.db2.gz RUBDQQCERQILLK-UHFFFAOYSA-N 1 2 390.274 2.024 20 0 GEADLO COc1cc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)nn1C ZINC000274781784 646330865 /nfs/dbraw/zinc/33/08/65/646330865.db2.gz WMUAKYBYVAYDDR-UHFFFAOYSA-N 1 2 392.257 2.120 20 0 GEADLO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1ccc(Cl)cn1 ZINC000274864482 646333394 /nfs/dbraw/zinc/33/33/94/646333394.db2.gz DMHRUSFCEVAXSC-CYBMUJFWSA-N 1 2 383.901 2.199 20 0 GEADLO CN1C(=O)N(CCC[NH+]2CCOCC2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000277391500 646412541 /nfs/dbraw/zinc/41/25/41/646412541.db2.gz NPYMWASYTUYTQF-HNNXBMFYSA-N 1 2 396.285 2.107 20 0 GEADLO Cn1cc([C@@H]2C[N@H+](CC(=O)Nc3cc(Cl)ccc3Cl)C[C@H]2CO)cn1 ZINC000277691168 646462901 /nfs/dbraw/zinc/46/29/01/646462901.db2.gz HBKBDTINSXXGRI-JSGCOSHPSA-N 1 2 383.279 2.373 20 0 GEADLO Cn1cc([C@@H]2C[N@@H+](CC(=O)Nc3cc(Cl)ccc3Cl)C[C@H]2CO)cn1 ZINC000277691168 646462906 /nfs/dbraw/zinc/46/29/06/646462906.db2.gz HBKBDTINSXXGRI-JSGCOSHPSA-N 1 2 383.279 2.373 20 0 GEADLO Cn1c[nH+]cc1C[S@@](=O)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000278055348 646487736 /nfs/dbraw/zinc/48/77/36/646487736.db2.gz JJZQFRWFXXWDCG-RUZDIDTESA-N 1 2 383.857 2.122 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000278251993 646506054 /nfs/dbraw/zinc/50/60/54/646506054.db2.gz HJPYRUFRIFCCAP-XJKSGUPXSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000278251993 646506057 /nfs/dbraw/zinc/50/60/57/646506057.db2.gz HJPYRUFRIFCCAP-XJKSGUPXSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000278257505 646507008 /nfs/dbraw/zinc/50/70/08/646507008.db2.gz HXEOQGVSVNSUPD-UONOGXRCSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000278257505 646507011 /nfs/dbraw/zinc/50/70/11/646507011.db2.gz HXEOQGVSVNSUPD-UONOGXRCSA-N 1 2 376.266 2.434 20 0 GEADLO O=S(=O)(C[C@H](O)C[NH2+]Cc1ncc(C(F)(F)F)s1)c1cccs1 ZINC000278656530 646535890 /nfs/dbraw/zinc/53/58/90/646535890.db2.gz MWFOKTYFFNKGBF-MRVPVSSYSA-N 1 2 386.442 2.148 20 0 GEADLO O=C(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)Nc1ccc(Br)cc1Cl ZINC000278824784 646553785 /nfs/dbraw/zinc/55/37/85/646553785.db2.gz HVYSIKIIIQYEGD-HNNXBMFYSA-N 1 2 386.677 2.253 20 0 GEADLO O=C(C[N@H+]1CC[C@]2(CNC(=O)C2)C1)Nc1ccc(Br)cc1Cl ZINC000278824784 646553788 /nfs/dbraw/zinc/55/37/88/646553788.db2.gz HVYSIKIIIQYEGD-HNNXBMFYSA-N 1 2 386.677 2.253 20 0 GEADLO C[C@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1nc(C(F)(F)F)cs1 ZINC000278876548 646560039 /nfs/dbraw/zinc/56/00/39/646560039.db2.gz HNSFSQFWHOSESZ-JTQLQIEISA-N 1 2 379.404 2.178 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000279446515 646602362 /nfs/dbraw/zinc/60/23/62/646602362.db2.gz NRJBGRLXSVBJAE-UHFFFAOYSA-N 1 2 379.258 2.477 20 0 GEADLO C[C@@H](NC(=O)N[C@@H](C)c1ccc(Br)cn1)[C@H](C)[NH+]1CCOCC1 ZINC000279542185 646609483 /nfs/dbraw/zinc/60/94/83/646609483.db2.gz APMCYRQOSHIRBR-AGIUHOORSA-N 1 2 385.306 2.314 20 0 GEADLO COC(=O)c1nc([C@H]2CCCN2C(=O)[C@@H](C)[NH+]2CCSCC2)sc1C ZINC000279656466 646619199 /nfs/dbraw/zinc/61/91/99/646619199.db2.gz KFCZUDNWVIYCNH-DGCLKSJQSA-N 1 2 383.539 2.339 20 0 GEADLO Cc1nnc(CC[NH2+]Cc2c(F)ccc(I)c2F)[nH]1 ZINC000279778032 646626576 /nfs/dbraw/zinc/62/65/76/646626576.db2.gz AREDCSIMSBMGQR-UHFFFAOYSA-N 1 2 378.164 2.328 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000281185480 646752476 /nfs/dbraw/zinc/75/24/76/646752476.db2.gz MDDHSIBIMCAFGY-HNNXBMFYSA-N 1 2 380.242 2.478 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000281185480 646752480 /nfs/dbraw/zinc/75/24/80/646752480.db2.gz MDDHSIBIMCAFGY-HNNXBMFYSA-N 1 2 380.242 2.478 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281538393 646779720 /nfs/dbraw/zinc/77/97/20/646779720.db2.gz WPVHOGWPDWRJID-GYSYKLTISA-N 1 2 382.258 2.206 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281538393 646779727 /nfs/dbraw/zinc/77/97/27/646779727.db2.gz WPVHOGWPDWRJID-GYSYKLTISA-N 1 2 382.258 2.206 20 0 GEADLO CC1=C(Br)CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000281584928 646785226 /nfs/dbraw/zinc/78/52/26/646785226.db2.gz ZVYVHCFKFZJQAX-UHFFFAOYSA-N 1 2 398.305 2.122 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)NCc1ccc(Br)cc1Cl ZINC000283683460 646827116 /nfs/dbraw/zinc/82/71/16/646827116.db2.gz WNUSZOMSLVQKDG-UHFFFAOYSA-N 1 2 399.676 2.122 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c(Br)c1 ZINC000284453030 646841370 /nfs/dbraw/zinc/84/13/70/646841370.db2.gz UMAORYBIHDOYDS-OCCSQVGLSA-N 1 2 383.242 2.166 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c(Br)c1 ZINC000284453030 646841375 /nfs/dbraw/zinc/84/13/75/646841375.db2.gz UMAORYBIHDOYDS-OCCSQVGLSA-N 1 2 383.242 2.166 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000285119505 646849032 /nfs/dbraw/zinc/84/90/32/646849032.db2.gz JUVUXOOZVHPGMF-NSHDSACASA-N 1 2 380.242 2.432 20 0 GEADLO O=C(CC[N@@H+]1CCn2c(Br)cnc2C1)N1CCc2ccccc21 ZINC000285269433 646852598 /nfs/dbraw/zinc/85/25/98/646852598.db2.gz JLYJAYXHYQJNMZ-UHFFFAOYSA-N 1 2 375.270 2.441 20 0 GEADLO O=C(CC[N@H+]1CCn2c(Br)cnc2C1)N1CCc2ccccc21 ZINC000285269433 646852599 /nfs/dbraw/zinc/85/25/99/646852599.db2.gz JLYJAYXHYQJNMZ-UHFFFAOYSA-N 1 2 375.270 2.441 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(F)cc1Br ZINC000285991472 646863938 /nfs/dbraw/zinc/86/39/38/646863938.db2.gz XUKINBJUXWRDCV-IUODEOHRSA-N 1 2 385.277 2.452 20 0 GEADLO COc1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c(Br)c1O ZINC000289181655 646926981 /nfs/dbraw/zinc/92/69/81/646926981.db2.gz AIZGMSGRNWUYRR-OCCSQVGLSA-N 1 2 385.302 2.458 20 0 GEADLO COc1ccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c(Br)c1O ZINC000289181655 646926983 /nfs/dbraw/zinc/92/69/83/646926983.db2.gz AIZGMSGRNWUYRR-OCCSQVGLSA-N 1 2 385.302 2.458 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000292259674 647187293 /nfs/dbraw/zinc/18/72/93/647187293.db2.gz HUXJRVJLWFFTMK-UHFFFAOYSA-N 1 2 385.237 2.026 20 0 GEADLO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCc2c[nH+]cn2C)cc1 ZINC000292517336 647196644 /nfs/dbraw/zinc/19/66/44/647196644.db2.gz BLDPPFVDSSWQQK-AWEZNQCLSA-N 1 2 376.258 2.332 20 0 GEADLO O=C(N1CCC(n2cc(Br)cn2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000329420956 647320089 /nfs/dbraw/zinc/32/00/89/647320089.db2.gz DPFSPVBMKKNLNI-UHFFFAOYSA-N 1 2 397.317 2.064 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000330968706 647361049 /nfs/dbraw/zinc/36/10/49/647361049.db2.gz SLIQOWJZSZKAOD-IHRRRGAJSA-N 1 2 390.933 2.467 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000330968706 647361052 /nfs/dbraw/zinc/36/10/52/647361052.db2.gz SLIQOWJZSZKAOD-IHRRRGAJSA-N 1 2 390.933 2.467 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@H](C)C1 ZINC000331219057 647372330 /nfs/dbraw/zinc/37/23/30/647372330.db2.gz IFHFWGDIAWMTDH-NXEZZACHSA-N 1 2 385.288 2.208 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@H](C)C1 ZINC000331219057 647372334 /nfs/dbraw/zinc/37/23/34/647372334.db2.gz IFHFWGDIAWMTDH-NXEZZACHSA-N 1 2 385.288 2.208 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c(Cl)c1Cl ZINC000331270249 647376577 /nfs/dbraw/zinc/37/65/77/647376577.db2.gz KMGCUPCRBPQDIE-QWRGUYRKSA-N 1 2 397.324 2.078 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(Cl)c1Cl ZINC000331270249 647376582 /nfs/dbraw/zinc/37/65/82/647376582.db2.gz KMGCUPCRBPQDIE-QWRGUYRKSA-N 1 2 397.324 2.078 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000331908043 647403477 /nfs/dbraw/zinc/40/34/77/647403477.db2.gz COPOAMWKTLEHJY-UHFFFAOYSA-N 1 2 399.285 2.061 20 0 GEADLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccc3ncsc3c2)C[C@@H](C)O1 ZINC000332109430 647412345 /nfs/dbraw/zinc/41/23/45/647412345.db2.gz VFQMOZLFEBLGQQ-CHWSQXEVSA-N 1 2 383.539 2.462 20 0 GEADLO O=S(=O)(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)o1 ZINC000332168316 647418327 /nfs/dbraw/zinc/41/83/27/647418327.db2.gz VGNGGKDAYCFUMQ-UHFFFAOYSA-N 1 2 386.271 2.384 20 0 GEADLO CNC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000332192801 647420400 /nfs/dbraw/zinc/42/04/00/647420400.db2.gz YAEGKOVUCXKMQI-JTQLQIEISA-N 1 2 380.246 2.002 20 0 GEADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000332192801 647420403 /nfs/dbraw/zinc/42/04/03/647420403.db2.gz YAEGKOVUCXKMQI-JTQLQIEISA-N 1 2 380.246 2.002 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C[C@@H]1C ZINC000332865417 647454629 /nfs/dbraw/zinc/45/46/29/647454629.db2.gz HZRPQHHHNDTEFA-XFMPKHEZSA-N 1 2 385.555 2.479 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C[C@@H]1C ZINC000332865417 647454632 /nfs/dbraw/zinc/45/46/32/647454632.db2.gz HZRPQHHHNDTEFA-XFMPKHEZSA-N 1 2 385.555 2.479 20 0 GEADLO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000333114575 647463332 /nfs/dbraw/zinc/46/33/32/647463332.db2.gz SWWCSSRHQUFHQX-CYBMUJFWSA-N 1 2 387.958 2.387 20 0 GEADLO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000333114575 647463337 /nfs/dbraw/zinc/46/33/37/647463337.db2.gz SWWCSSRHQUFHQX-CYBMUJFWSA-N 1 2 387.958 2.387 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(F)cc1Br ZINC000333215208 647465431 /nfs/dbraw/zinc/46/54/31/647465431.db2.gz VIZCEXFLRIJCCX-SNVBAGLBSA-N 1 2 388.262 2.386 20 0 GEADLO C[C@H]1CCN(C(=O)c2nc3ccc(Br)cn3n2)C[C@H]1n1cc[nH+]c1 ZINC000333952256 647486649 /nfs/dbraw/zinc/48/66/49/647486649.db2.gz ZUHHYKDQKIKNMG-WCQYABFASA-N 1 2 389.257 2.412 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000360640069 647559062 /nfs/dbraw/zinc/55/90/62/647559062.db2.gz WPRBBMOJOMDOEN-KBPBESRZSA-N 1 2 379.309 2.213 20 0 GEADLO O=C(c1ccc(Br)o1)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000363014496 647579012 /nfs/dbraw/zinc/57/90/12/647579012.db2.gz XTOCHOAMNBYXCZ-UHFFFAOYSA-N 1 2 396.285 2.397 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000363104495 647585009 /nfs/dbraw/zinc/58/50/09/647585009.db2.gz OXQYAPXLWMEBEC-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000363104495 647585012 /nfs/dbraw/zinc/58/50/12/647585012.db2.gz OXQYAPXLWMEBEC-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO O=C(NC1CC[NH+](Cc2cscn2)CC1)[C@H]1CCCN1c1nccs1 ZINC000363382905 647593546 /nfs/dbraw/zinc/59/35/46/647593546.db2.gz FQDIBXWISHMPEJ-OAHLLOKOSA-N 1 2 377.539 2.349 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000363426747 647596055 /nfs/dbraw/zinc/59/60/55/647596055.db2.gz HPYVVHIVPNJTCN-KGLIPLIRSA-N 1 2 386.949 2.120 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000363515991 647598694 /nfs/dbraw/zinc/59/86/94/647598694.db2.gz ODFPMXZJDWIVLS-KBPBESRZSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000363515991 647598696 /nfs/dbraw/zinc/59/86/96/647598696.db2.gz ODFPMXZJDWIVLS-KBPBESRZSA-N 1 2 384.307 2.377 20 0 GEADLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)Nc1ccc(Br)cc1)CC2 ZINC000363992219 647616414 /nfs/dbraw/zinc/61/64/14/647616414.db2.gz KWPVRFBUAHTNRT-UHFFFAOYSA-N 1 2 391.269 2.023 20 0 GEADLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)Nc1ccc(Br)cc1)CC2 ZINC000363992219 647616420 /nfs/dbraw/zinc/61/64/20/647616420.db2.gz KWPVRFBUAHTNRT-UHFFFAOYSA-N 1 2 391.269 2.023 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[N@H+](CC(C)(C)O)CC2)c1 ZINC000364560805 647635698 /nfs/dbraw/zinc/63/56/98/647635698.db2.gz MICPRUKDZHYIBM-UHFFFAOYSA-N 1 2 388.917 2.010 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)c1 ZINC000364560805 647635701 /nfs/dbraw/zinc/63/57/01/647635701.db2.gz MICPRUKDZHYIBM-UHFFFAOYSA-N 1 2 388.917 2.010 20 0 GEADLO Brc1cnn(C2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000365464218 647671018 /nfs/dbraw/zinc/67/10/18/647671018.db2.gz MYFZZOIRFFQSPL-UHFFFAOYSA-N 1 2 393.289 2.114 20 0 GEADLO Brc1cnn(C2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000365464218 647671025 /nfs/dbraw/zinc/67/10/25/647671025.db2.gz MYFZZOIRFFQSPL-UHFFFAOYSA-N 1 2 393.289 2.114 20 0 GEADLO COC(=O)[C@H]1C[C@H](NC(=O)c2oc3ccc(Br)cc3c2C)C[NH2+]1 ZINC000365756233 647686145 /nfs/dbraw/zinc/68/61/45/647686145.db2.gz DCHMQRLBRRZSRL-CMPLNLGQSA-N 1 2 381.226 2.137 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccccc1C(F)(F)F ZINC000367089557 647719515 /nfs/dbraw/zinc/71/95/15/647719515.db2.gz MHZXKSBSFDHCQK-STQMWFEESA-N 1 2 378.416 2.237 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccccc1C(F)(F)F ZINC000367089557 647719516 /nfs/dbraw/zinc/71/95/16/647719516.db2.gz MHZXKSBSFDHCQK-STQMWFEESA-N 1 2 378.416 2.237 20 0 GEADLO C[C@@](O)(C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000368686291 647764677 /nfs/dbraw/zinc/76/46/77/647764677.db2.gz FFUNNRDFNVYTHY-NVXWUHKLSA-N 1 2 383.901 2.095 20 0 GEADLO C[C@@](O)(C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000368686291 647764680 /nfs/dbraw/zinc/76/46/80/647764680.db2.gz FFUNNRDFNVYTHY-NVXWUHKLSA-N 1 2 383.901 2.095 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000368829251 647765959 /nfs/dbraw/zinc/76/59/59/647765959.db2.gz JXNDLWZQDVISFM-LBPRGKRZSA-N 1 2 388.295 2.041 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000368829251 647765962 /nfs/dbraw/zinc/76/59/62/647765962.db2.gz JXNDLWZQDVISFM-LBPRGKRZSA-N 1 2 388.295 2.041 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000368837432 647766430 /nfs/dbraw/zinc/76/64/30/647766430.db2.gz DFIBYUQZKJHCKZ-GFCCVEGCSA-N 1 2 388.295 2.041 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000368837432 647766439 /nfs/dbraw/zinc/76/64/39/647766439.db2.gz DFIBYUQZKJHCKZ-GFCCVEGCSA-N 1 2 388.295 2.041 20 0 GEADLO NS(=O)(=O)C1CC[NH+](Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000369053006 647768298 /nfs/dbraw/zinc/76/82/98/647768298.db2.gz WXHGEVQWQLKEAQ-UHFFFAOYSA-N 1 2 399.257 2.303 20 0 GEADLO CCN(C(=O)NC1CC[NH+](Cc2cccs2)CC1)[C@H](C)CS(C)(=O)=O ZINC000369227791 647772941 /nfs/dbraw/zinc/77/29/41/647772941.db2.gz AXKWYEFBENPGCN-CQSZACIVSA-N 1 2 387.571 2.177 20 0 GEADLO CN1C(=O)CSC12CC[NH+]([C@@H]1CCN(c3ccccc3Cl)C1=O)CC2 ZINC000371793986 647799179 /nfs/dbraw/zinc/79/91/79/647799179.db2.gz CRELCRYAKSWGRF-OAHLLOKOSA-N 1 2 379.913 2.443 20 0 GEADLO C[NH+](C)C[C@@H]1CN(C(=O)c2csc(S(C)(=O)=O)c2)c2ccccc2O1 ZINC000372456678 647804741 /nfs/dbraw/zinc/80/47/41/647804741.db2.gz GTFCYPXDTVEVOX-CYBMUJFWSA-N 1 2 380.491 2.121 20 0 GEADLO C[NH+](C)C[C@H]1CN(C(=O)c2csc(S(C)(=O)=O)c2)c2ccccc2O1 ZINC000372456680 647805019 /nfs/dbraw/zinc/80/50/19/647805019.db2.gz GTFCYPXDTVEVOX-ZDUSSCGKSA-N 1 2 380.491 2.121 20 0 GEADLO CN(CCn1cc(Br)cn1)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000377478688 647859679 /nfs/dbraw/zinc/85/96/79/647859679.db2.gz RNSIDYVDLPTRPO-AWEZNQCLSA-N 1 2 392.301 2.416 20 0 GEADLO C[C@@H](NC(=O)Nc1cc2ccc(Br)cn2n1)[C@@H](C)[NH+]1CCOCC1 ZINC000482189441 647896414 /nfs/dbraw/zinc/89/64/14/647896414.db2.gz XLGNUVIBVPRQFW-VXGBXAGGSA-N 1 2 396.289 2.328 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000401684306 647903305 /nfs/dbraw/zinc/90/33/05/647903305.db2.gz VAJAMGGOTJJMFU-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409649093 647976019 /nfs/dbraw/zinc/97/60/19/647976019.db2.gz BEXQMUZBHWFEQP-OMWUSAIZSA-N 1 2 393.325 2.490 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409649093 647976023 /nfs/dbraw/zinc/97/60/23/647976023.db2.gz BEXQMUZBHWFEQP-OMWUSAIZSA-N 1 2 393.325 2.490 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409712100 647980514 /nfs/dbraw/zinc/98/05/14/647980514.db2.gz XGFINVXIPJVXJA-IUODEOHRSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409712100 647980517 /nfs/dbraw/zinc/98/05/17/647980517.db2.gz XGFINVXIPJVXJA-IUODEOHRSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@H](CN1CCOCC1)[N@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000411695959 648032178 /nfs/dbraw/zinc/03/21/78/648032178.db2.gz RZHMUBSPJOASEA-CYBMUJFWSA-N 1 2 380.539 2.463 20 0 GEADLO C[C@H](CN1CCOCC1)[N@@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000411695959 648032182 /nfs/dbraw/zinc/03/21/82/648032182.db2.gz RZHMUBSPJOASEA-CYBMUJFWSA-N 1 2 380.539 2.463 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000411695959 648032185 /nfs/dbraw/zinc/03/21/85/648032185.db2.gz RZHMUBSPJOASEA-CYBMUJFWSA-N 1 2 380.539 2.463 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCSC2(CCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000411864400 648036227 /nfs/dbraw/zinc/03/62/27/648036227.db2.gz DTKUFPHOHVLSFB-MRXNPFEDSA-N 1 2 388.599 2.164 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCSC2(CCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000411864400 648036233 /nfs/dbraw/zinc/03/62/33/648036233.db2.gz DTKUFPHOHVLSFB-MRXNPFEDSA-N 1 2 388.599 2.164 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(Br)c(C)cc2C)CC1 ZINC000412447869 648049222 /nfs/dbraw/zinc/04/92/22/648049222.db2.gz QYUVGEJCZUUCBI-UHFFFAOYSA-N 1 2 399.329 2.485 20 0 GEADLO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NCCCn2cc[nH+]c2)c1 ZINC000413041363 648058873 /nfs/dbraw/zinc/05/88/73/648058873.db2.gz XLOIPXSYBQBCQS-UHFFFAOYSA-N 1 2 384.889 2.220 20 0 GEADLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc(=O)n(C)n2)CC1 ZINC000413162210 648061159 /nfs/dbraw/zinc/06/11/59/648061159.db2.gz FGBGGAFVJJSAFR-CYBMUJFWSA-N 1 2 377.286 2.426 20 0 GEADLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc(=O)n(C)n2)CC1 ZINC000413162213 648061212 /nfs/dbraw/zinc/06/12/12/648061212.db2.gz FGBGGAFVJJSAFR-ZDUSSCGKSA-N 1 2 377.286 2.426 20 0 GEADLO Cc1nc(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)sc1Br ZINC000413574443 648073814 /nfs/dbraw/zinc/07/38/14/648073814.db2.gz DLHVAVRYXUZHII-UHFFFAOYSA-N 1 2 391.335 2.124 20 0 GEADLO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414341387 648096463 /nfs/dbraw/zinc/09/64/63/648096463.db2.gz LJEOBMNSZQYJKO-BDAKNGLRSA-N 1 2 382.313 2.205 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000416649536 648201586 /nfs/dbraw/zinc/20/15/86/648201586.db2.gz ACJVCKNNOHFBTB-GHMZBOCLSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000416649536 648201589 /nfs/dbraw/zinc/20/15/89/648201589.db2.gz ACJVCKNNOHFBTB-GHMZBOCLSA-N 1 2 398.859 2.017 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1c[nH]cn1 ZINC000416652887 648203109 /nfs/dbraw/zinc/20/31/09/648203109.db2.gz SWUNRPHNVQXLPU-UHFFFAOYSA-N 1 2 399.314 2.115 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000416663006 648205930 /nfs/dbraw/zinc/20/59/30/648205930.db2.gz LHHIGSQTLWLIFF-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000416663006 648205931 /nfs/dbraw/zinc/20/59/31/648205931.db2.gz LHHIGSQTLWLIFF-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1C(F)(F)F ZINC000416665558 648206501 /nfs/dbraw/zinc/20/65/01/648206501.db2.gz ODJQBLFRCRBQIZ-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1C(F)(F)F ZINC000416665558 648206509 /nfs/dbraw/zinc/20/65/09/648206509.db2.gz ODJQBLFRCRBQIZ-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000419729569 648371758 /nfs/dbraw/zinc/37/17/58/648371758.db2.gz OTHWCWASLKRJDD-HQJQHLMTSA-N 1 2 377.080 2.221 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br)C(=O)N(C)C ZINC000420977110 648461308 /nfs/dbraw/zinc/46/13/08/648461308.db2.gz RNVHCRGFHAOPMR-DZGCQCFKSA-N 1 2 396.329 2.049 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Br)C(=O)N(C)C ZINC000420977110 648461309 /nfs/dbraw/zinc/46/13/09/648461309.db2.gz RNVHCRGFHAOPMR-DZGCQCFKSA-N 1 2 396.329 2.049 20 0 GEADLO Cc1c(Cl)c(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)nn1C ZINC000421356859 648488203 /nfs/dbraw/zinc/48/82/03/648488203.db2.gz MIFGSKHMOHFCRF-UHFFFAOYSA-N 1 2 391.324 2.412 20 0 GEADLO CS(=O)(=O)c1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000421450740 648493235 /nfs/dbraw/zinc/49/32/35/648493235.db2.gz YGDMNBWKAUFTFU-UHFFFAOYSA-N 1 2 380.491 2.236 20 0 GEADLO CNC(=O)[C@@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000421652687 648502828 /nfs/dbraw/zinc/50/28/28/648502828.db2.gz UDDDXRIQDHQQIE-ZBFHGGJFSA-N 1 2 394.313 2.181 20 0 GEADLO Cc1cc(CNC(=O)C(=O)NCc2sccc2Br)cc(C)[nH+]1 ZINC000422282758 648533507 /nfs/dbraw/zinc/53/35/07/648533507.db2.gz LNSACPWEGYSUPV-UHFFFAOYSA-N 1 2 382.283 2.455 20 0 GEADLO Cc1ccc(NC(=O)[C@@H]([NH3+])c2cscn2)cc1S(=O)(=O)NC(C)(C)C ZINC000423212935 648587866 /nfs/dbraw/zinc/58/78/66/648587866.db2.gz JHFHWPHNHCYWTK-AWEZNQCLSA-N 1 2 382.511 2.167 20 0 GEADLO COc1c(Br)ccc(C)c1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000424663646 648637274 /nfs/dbraw/zinc/63/72/74/648637274.db2.gz IKCHNQQXZYYIQE-ZDUSSCGKSA-N 1 2 383.286 2.359 20 0 GEADLO COc1c(Br)ccc(C)c1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000424663646 648637277 /nfs/dbraw/zinc/63/72/77/648637277.db2.gz IKCHNQQXZYYIQE-ZDUSSCGKSA-N 1 2 383.286 2.359 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)CCO1 ZINC000424854866 648653341 /nfs/dbraw/zinc/65/33/41/648653341.db2.gz OCASYENISNYPMB-ZDUSSCGKSA-N 1 2 396.285 2.360 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)CCO1 ZINC000424854866 648653346 /nfs/dbraw/zinc/65/33/46/648653346.db2.gz OCASYENISNYPMB-ZDUSSCGKSA-N 1 2 396.285 2.360 20 0 GEADLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)s2)cc1 ZINC000425416670 648675254 /nfs/dbraw/zinc/67/52/54/648675254.db2.gz KWZPTIJSPWFHFF-UHFFFAOYSA-N 1 2 382.507 2.417 20 0 GEADLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)s2)cc1 ZINC000425416670 648675258 /nfs/dbraw/zinc/67/52/58/648675258.db2.gz KWZPTIJSPWFHFF-UHFFFAOYSA-N 1 2 382.507 2.417 20 0 GEADLO COCCCOC1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC000425426190 648676415 /nfs/dbraw/zinc/67/64/15/648676415.db2.gz ZWZPLLWIIRAVSU-UHFFFAOYSA-N 1 2 376.544 2.016 20 0 GEADLO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427061981 648721912 /nfs/dbraw/zinc/72/19/12/648721912.db2.gz OSLDJQBTNWRKQC-JTQLQIEISA-N 1 2 397.660 2.369 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000429869789 648756188 /nfs/dbraw/zinc/75/61/88/648756188.db2.gz QDOPQSAJXUEJOW-KBPBESRZSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000429869789 648756190 /nfs/dbraw/zinc/75/61/90/648756190.db2.gz QDOPQSAJXUEJOW-KBPBESRZSA-N 1 2 382.917 2.357 20 0 GEADLO CCNc1ncc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC000430710723 648765910 /nfs/dbraw/zinc/76/59/10/648765910.db2.gz UBDALMRGAXPCCF-OAHLLOKOSA-N 1 2 376.551 2.922 20 0 GEADLO CCNc1ncc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC000430710723 648765914 /nfs/dbraw/zinc/76/59/14/648765914.db2.gz UBDALMRGAXPCCF-OAHLLOKOSA-N 1 2 376.551 2.922 20 0 GEADLO O=C(c1cc(F)cc(Br)c1O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000436860121 648798133 /nfs/dbraw/zinc/79/81/33/648798133.db2.gz VLSMVUXCDDTHCK-LLVKDONJSA-N 1 2 387.249 2.088 20 0 GEADLO O=S(=O)(NCC[NH2+]Cc1ccn(C(F)F)n1)c1ccc(Cl)cc1F ZINC000441335139 648825336 /nfs/dbraw/zinc/82/53/36/648825336.db2.gz PWBIDZSRWCUVSJ-UHFFFAOYSA-N 1 2 382.795 2.139 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000441565475 648832392 /nfs/dbraw/zinc/83/23/92/648832392.db2.gz BIIKKKQFDCLZGN-UHFFFAOYSA-N 1 2 399.195 2.289 20 0 GEADLO CS(=O)(=O)N1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443432247 648876110 /nfs/dbraw/zinc/87/61/10/648876110.db2.gz PVHCHZYMYXTVHV-UHFFFAOYSA-N 1 2 388.262 2.218 20 0 GEADLO O=C(CCNc1cc[nH+]c2c(Br)ccc(F)c12)N1CCOCC1 ZINC000443436918 648876365 /nfs/dbraw/zinc/87/63/65/648876365.db2.gz OGGQZGNRTRLQAB-UHFFFAOYSA-N 1 2 382.233 2.219 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000548281847 651075748 /nfs/dbraw/zinc/07/57/48/651075748.db2.gz SXDRTQUAMFRUCO-CYBMUJFWSA-N 1 2 379.917 2.440 20 0 GEADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000548603579 651081583 /nfs/dbraw/zinc/08/15/83/651081583.db2.gz MHSHNZIXDMXNIM-NSHDSACASA-N 1 2 395.301 2.192 20 0 GEADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000548603579 651081587 /nfs/dbraw/zinc/08/15/87/651081587.db2.gz MHSHNZIXDMXNIM-NSHDSACASA-N 1 2 395.301 2.192 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000548623690 651082077 /nfs/dbraw/zinc/08/20/77/651082077.db2.gz WAZALADXWPHLGJ-VIFPVBQESA-N 1 2 376.265 2.492 20 0 GEADLO O=C(Nc1cccc(Br)c1Cl)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000549301597 651094849 /nfs/dbraw/zinc/09/48/49/651094849.db2.gz GADYEJUCMCMGNC-SECBINFHSA-N 1 2 397.660 2.369 20 0 GEADLO O=C(c1cn[nH]n1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000549824533 651101496 /nfs/dbraw/zinc/10/14/96/651101496.db2.gz PYKCPBIDGWOHNW-UHFFFAOYSA-N 1 2 375.230 2.106 20 0 GEADLO CN(CCC(F)(F)F)C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000550416677 651110800 /nfs/dbraw/zinc/11/08/00/651110800.db2.gz MZIYBUOLPBVPSL-CYBMUJFWSA-N 1 2 379.810 2.470 20 0 GEADLO C[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)C[C@@H]1CCCS(=O)(=O)C1 ZINC000551387215 651123328 /nfs/dbraw/zinc/12/33/28/651123328.db2.gz YSYNREYKHFUFOZ-NSHDSACASA-N 1 2 377.409 2.273 20 0 GEADLO C[N@H+](Cc1cc2c(cc1OC(F)F)OCO2)C[C@@H]1CCCS(=O)(=O)C1 ZINC000551387215 651123332 /nfs/dbraw/zinc/12/33/32/651123332.db2.gz YSYNREYKHFUFOZ-NSHDSACASA-N 1 2 377.409 2.273 20 0 GEADLO COc1ccc(OCc2nc(C[NH2+][C@H]3CCS(=O)(=O)[C@H]3C)cs2)cc1 ZINC000552311966 651146459 /nfs/dbraw/zinc/14/64/59/651146459.db2.gz KCOBFFGPAYZPPE-LRDDRELGSA-N 1 2 382.507 2.396 20 0 GEADLO Cn1nccc1CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000553153809 651166358 /nfs/dbraw/zinc/16/63/58/651166358.db2.gz KQHCOTZGNCSGRK-UHFFFAOYSA-N 1 2 392.257 2.244 20 0 GEADLO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000553796887 651189137 /nfs/dbraw/zinc/18/91/37/651189137.db2.gz ZNHFSNREOSQYMJ-XHDPSFHLSA-N 1 2 382.233 2.197 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000553853675 651190795 /nfs/dbraw/zinc/19/07/95/651190795.db2.gz ZHLZTUPNHMJBOI-UHFFFAOYSA-N 1 2 395.282 2.252 20 0 GEADLO C[C@@H](C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)[NH+]1CCSCC1 ZINC000554148310 651198933 /nfs/dbraw/zinc/19/89/33/651198933.db2.gz CVFPEBJYXQNFQM-HZMBPMFUSA-N 1 2 391.306 2.175 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@@H+](CCOc2ccc(F)cc2Cl)CC1 ZINC000555064880 651217078 /nfs/dbraw/zinc/21/70/78/651217078.db2.gz ZNSORESGDHHBRE-UHFFFAOYSA-N 1 2 376.881 2.358 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@H+](CCOc2ccc(F)cc2Cl)CC1 ZINC000555064880 651217081 /nfs/dbraw/zinc/21/70/81/651217081.db2.gz ZNSORESGDHHBRE-UHFFFAOYSA-N 1 2 376.881 2.358 20 0 GEADLO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000555417799 651224964 /nfs/dbraw/zinc/22/49/64/651224964.db2.gz NZYMEWMGGCVLEA-LLVKDONJSA-N 1 2 375.281 2.241 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000555420917 651225321 /nfs/dbraw/zinc/22/53/21/651225321.db2.gz WDHULYCGYDHDPR-TXEJJXNPSA-N 1 2 391.331 2.312 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC000555420917 651225325 /nfs/dbraw/zinc/22/53/25/651225325.db2.gz WDHULYCGYDHDPR-TXEJJXNPSA-N 1 2 391.331 2.312 20 0 GEADLO CC(C)[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000556103636 651236710 /nfs/dbraw/zinc/23/67/10/651236710.db2.gz GLNSCHLUNJETFV-OAHLLOKOSA-N 1 2 381.325 2.317 20 0 GEADLO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)c1nncn1C ZINC000556823298 651254311 /nfs/dbraw/zinc/25/43/11/651254311.db2.gz HQSXJHJQKZJNBV-OAHLLOKOSA-N 1 2 391.273 2.072 20 0 GEADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1cc2c(cc1Br)OCCO2 ZINC000558449804 651280119 /nfs/dbraw/zinc/28/01/19/651280119.db2.gz QBYOHNAYKKGYBH-SNVBAGLBSA-N 1 2 380.242 2.374 20 0 GEADLO O=C(NC[C@H]1CCCC(F)(F)C1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000558568269 651281574 /nfs/dbraw/zinc/28/15/74/651281574.db2.gz WVAAMIHXMPPXKX-HOCLYGCPSA-N 1 2 377.501 2.319 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000559284111 651294949 /nfs/dbraw/zinc/29/49/49/651294949.db2.gz WSNXQLQYHQPKNG-RULNRJAQSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000559284111 651294953 /nfs/dbraw/zinc/29/49/53/651294953.db2.gz WSNXQLQYHQPKNG-RULNRJAQSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cc(N(C)C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000559581444 651298041 /nfs/dbraw/zinc/29/80/41/651298041.db2.gz FUSQUGRFQCUHFI-OLZOCXBDSA-N 1 2 384.318 2.354 20 0 GEADLO CN1C[C@H]([N@H+](C)CC(=O)Nc2c(F)cc(F)cc2Br)CCC1=O ZINC000559636267 651299509 /nfs/dbraw/zinc/29/95/09/651299509.db2.gz IZXQVDHLONAFNH-SNVBAGLBSA-N 1 2 390.228 2.218 20 0 GEADLO CN1C[C@H]([N@@H+](C)CC(=O)Nc2c(F)cc(F)cc2Br)CCC1=O ZINC000559636267 651299511 /nfs/dbraw/zinc/29/95/11/651299511.db2.gz IZXQVDHLONAFNH-SNVBAGLBSA-N 1 2 390.228 2.218 20 0 GEADLO O=S1(=O)CCC[C@H](C[N@@H+](CCO)Cc2cc(Br)cs2)C1 ZINC000560197172 651304795 /nfs/dbraw/zinc/30/47/95/651304795.db2.gz DLUMZXQNAYGVSH-LLVKDONJSA-N 1 2 382.345 2.130 20 0 GEADLO O=S1(=O)CCC[C@H](C[N@H+](CCO)Cc2cc(Br)cs2)C1 ZINC000560197172 651304796 /nfs/dbraw/zinc/30/47/96/651304796.db2.gz DLUMZXQNAYGVSH-LLVKDONJSA-N 1 2 382.345 2.130 20 0 GEADLO C[C@@H](Cc1ccsc1)NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000560312609 651306879 /nfs/dbraw/zinc/30/68/79/651306879.db2.gz GZFQRUFXUAUEDY-ZDUSSCGKSA-N 1 2 377.535 2.031 20 0 GEADLO C[C@@H](Cc1ccsc1)NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000560312609 651306882 /nfs/dbraw/zinc/30/68/82/651306882.db2.gz GZFQRUFXUAUEDY-ZDUSSCGKSA-N 1 2 377.535 2.031 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000560470378 651310586 /nfs/dbraw/zinc/31/05/86/651310586.db2.gz SPXNBGZOTKTEPI-UHFFFAOYSA-N 1 2 390.248 2.222 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2csc(-c3cccs3)n2)C1 ZINC000560648251 651313395 /nfs/dbraw/zinc/31/33/95/651313395.db2.gz WJSXKSGWSAUIPK-LBPRGKRZSA-N 1 2 379.507 2.486 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2csc(-c3cccs3)n2)C1 ZINC000560648251 651313398 /nfs/dbraw/zinc/31/33/98/651313398.db2.gz WJSXKSGWSAUIPK-LBPRGKRZSA-N 1 2 379.507 2.486 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)Cc2csc(Br)c2)CCO1 ZINC000726253361 651488351 /nfs/dbraw/zinc/48/83/51/651488351.db2.gz MUVJMQQWKUZFTE-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)Cc2csc(Br)c2)CCO1 ZINC000726253361 651488355 /nfs/dbraw/zinc/48/83/55/651488355.db2.gz MUVJMQQWKUZFTE-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000603955953 651505129 /nfs/dbraw/zinc/50/51/29/651505129.db2.gz LGUHDWWBZDYSSH-AWEZNQCLSA-N 1 2 380.491 2.088 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000603955953 651505136 /nfs/dbraw/zinc/50/51/36/651505136.db2.gz LGUHDWWBZDYSSH-AWEZNQCLSA-N 1 2 380.491 2.088 20 0 GEADLO COCCS(=O)(=O)CCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000727828503 651529981 /nfs/dbraw/zinc/52/99/81/651529981.db2.gz RHRAZJKHIZJJRJ-CVEARBPZSA-N 1 2 396.336 2.335 20 0 GEADLO COCCS(=O)(=O)CCC[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000727828503 651529984 /nfs/dbraw/zinc/52/99/84/651529984.db2.gz RHRAZJKHIZJJRJ-CVEARBPZSA-N 1 2 396.336 2.335 20 0 GEADLO CC1(C[NH+]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)COC1 ZINC000605436048 651537104 /nfs/dbraw/zinc/53/71/04/651537104.db2.gz IOETUMKMXKPMMP-UHFFFAOYSA-N 1 2 379.309 2.336 20 0 GEADLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)n1 ZINC000563700840 651538058 /nfs/dbraw/zinc/53/80/58/651538058.db2.gz PMRXSDOLZFRRMP-UHFFFAOYSA-N 1 2 391.269 2.348 20 0 GEADLO O=S(=O)(NCCc1cn2c([nH+]1)CCCC2)c1c(Cl)nc2sccn21 ZINC000728580617 651546699 /nfs/dbraw/zinc/54/66/99/651546699.db2.gz YQGGGBDFVWJLQM-UHFFFAOYSA-N 1 2 385.902 2.103 20 0 GEADLO C[C@H](CNS(=O)(=O)c1csc(-c2ccccc2)n1)C[NH+]1CCOCC1 ZINC000606465959 651555549 /nfs/dbraw/zinc/55/55/49/651555549.db2.gz XKAJNAXDIIUCOO-CQSZACIVSA-N 1 2 381.523 2.057 20 0 GEADLO Cc1oc(Br)cc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000644636888 651560474 /nfs/dbraw/zinc/56/04/74/651560474.db2.gz FEDNIACFYLGSMJ-UHFFFAOYSA-N 1 2 398.301 2.121 20 0 GEADLO Cc1oc(Br)cc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000644636888 651560489 /nfs/dbraw/zinc/56/04/89/651560489.db2.gz FEDNIACFYLGSMJ-UHFFFAOYSA-N 1 2 398.301 2.121 20 0 GEADLO COc1c(Br)ccc(C)c1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000644674489 651562738 /nfs/dbraw/zinc/56/27/38/651562738.db2.gz BQMMEJLSQKNXPK-ZDUSSCGKSA-N 1 2 383.286 2.313 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000564435380 651566898 /nfs/dbraw/zinc/56/68/98/651566898.db2.gz GUJUVHLLVARQKW-UHFFFAOYSA-N 1 2 389.905 2.022 20 0 GEADLO CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000607170313 651568165 /nfs/dbraw/zinc/56/81/65/651568165.db2.gz ZAGJRXWFJSDFQL-ZDUSSCGKSA-N 1 2 386.543 2.027 20 0 GEADLO C[N@H+](CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O)[C@H]1CCOC1 ZINC000730257978 651593167 /nfs/dbraw/zinc/59/31/67/651593167.db2.gz CQDUMGZWOBQSHU-YOEHRIQHSA-N 1 2 381.270 2.144 20 0 GEADLO C[N@@H+](CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O)[C@H]1CCOC1 ZINC000730257978 651593170 /nfs/dbraw/zinc/59/31/70/651593170.db2.gz CQDUMGZWOBQSHU-YOEHRIQHSA-N 1 2 381.270 2.144 20 0 GEADLO COc1ccc(F)cc1S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000645488482 651611012 /nfs/dbraw/zinc/61/10/12/651611012.db2.gz YSIIUVCGRLGEBD-UHFFFAOYSA-N 1 2 384.498 2.445 20 0 GEADLO O=S(=O)(CCCC1CCOCC1)N1CC[NH+](CCc2cccs2)CC1 ZINC000645488259 651611193 /nfs/dbraw/zinc/61/11/93/651611193.db2.gz JUJYCRUGJQAZHF-UHFFFAOYSA-N 1 2 386.583 2.445 20 0 GEADLO C[C@@H](NC(=O)c1ccc(I)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000609191028 651612870 /nfs/dbraw/zinc/61/28/70/651612870.db2.gz UVZZTKQKCIXUNI-NEPJUHHUSA-N 1 2 388.249 2.130 20 0 GEADLO O=C(/C=C/c1ccc(Br)o1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731337274 651624281 /nfs/dbraw/zinc/62/42/81/651624281.db2.gz YZRUNYVQUZOZFU-DUXPYHPUSA-N 1 2 395.257 2.223 20 0 GEADLO CCCCCC[C@@H](C)NC(=O)C[NH+]1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000731355173 651624586 /nfs/dbraw/zinc/62/45/86/651624586.db2.gz SSEJJKFCSBHBOO-MRXNPFEDSA-N 1 2 375.579 2.207 20 0 GEADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CC/C=C/c1ccc(Br)cc1 ZINC000609770781 651631308 /nfs/dbraw/zinc/63/13/08/651631308.db2.gz BOMOGIRBGHBAPA-OMDKTOEGSA-N 1 2 381.270 2.216 20 0 GEADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC/C=C/c1ccc(Br)cc1 ZINC000609770781 651631314 /nfs/dbraw/zinc/63/13/14/651631314.db2.gz BOMOGIRBGHBAPA-OMDKTOEGSA-N 1 2 381.270 2.216 20 0 GEADLO COCCCOC1CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000568095934 651651580 /nfs/dbraw/zinc/65/15/80/651651580.db2.gz LOWDEBUBFKJKOL-UHFFFAOYSA-N 1 2 376.906 2.005 20 0 GEADLO C[C@H](CC(=O)NCCNC(=O)c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000568096324 651651602 /nfs/dbraw/zinc/65/16/02/651651602.db2.gz XFGHBOHCLPHLRO-GFCCVEGCSA-N 1 2 379.258 2.143 20 0 GEADLO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)C1 ZINC000568666753 651675711 /nfs/dbraw/zinc/67/57/11/651675711.db2.gz ZZSWSHVAZUZHOA-JJRVBVJISA-N 1 2 384.929 2.302 20 0 GEADLO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)C1 ZINC000568666753 651675715 /nfs/dbraw/zinc/67/57/15/651675715.db2.gz ZZSWSHVAZUZHOA-JJRVBVJISA-N 1 2 384.929 2.302 20 0 GEADLO Cc1cccc2cc(S(=O)(=O)N3CC[NH2+]C[C@H]3c3nccn3C)sc21 ZINC000647292820 651742331 /nfs/dbraw/zinc/74/23/31/651742331.db2.gz GXQNEFWMXBPKON-AWEZNQCLSA-N 1 2 376.507 2.278 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000647298856 651742947 /nfs/dbraw/zinc/74/29/47/651742947.db2.gz XHXSXHFUTYEWGM-JTQLQIEISA-N 1 2 387.221 2.124 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000647312402 651743466 /nfs/dbraw/zinc/74/34/66/651743466.db2.gz ZTZDMQYTCWEWCL-LRDDRELGSA-N 1 2 394.896 2.076 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000612417405 651756023 /nfs/dbraw/zinc/75/60/23/651756023.db2.gz BFEZFIDHWHUCEE-IJLUTSLNSA-N 1 2 384.263 2.387 20 0 GEADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000612795562 651770607 /nfs/dbraw/zinc/77/06/07/651770607.db2.gz ACSSJOVBTWZQMH-LALPHHSUSA-N 1 2 379.869 2.164 20 0 GEADLO CO[C@@H](C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)[C@@H]1CCOC1 ZINC000613478120 651787954 /nfs/dbraw/zinc/78/79/54/651787954.db2.gz ASGBVEYDYRANFA-IUODEOHRSA-N 1 2 396.285 2.115 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000613671787 651791939 /nfs/dbraw/zinc/79/19/39/651791939.db2.gz LTSACOWIPQTMHL-ZETCQYMHSA-N 1 2 399.182 2.144 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCc3cccc(Br)c3C2)CCO1 ZINC000735754960 651795253 /nfs/dbraw/zinc/79/52/53/651795253.db2.gz JQBMFFRRWAQHEH-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCc3cccc(Br)c3C2)CCO1 ZINC000735754960 651795258 /nfs/dbraw/zinc/79/52/58/651795258.db2.gz JQBMFFRRWAQHEH-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2ccccc2-n2cc(Br)cn2)CCO1 ZINC000570896926 651798388 /nfs/dbraw/zinc/79/83/88/651798388.db2.gz IXUICYPXYASSKF-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccccc2-n2cc(Br)cn2)CCO1 ZINC000570896926 651798391 /nfs/dbraw/zinc/79/83/91/651798391.db2.gz IXUICYPXYASSKF-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CCS(N)(=O)=O)CC2 ZINC000735919723 651802449 /nfs/dbraw/zinc/80/24/49/651802449.db2.gz QKLSBFHGLGIMKQ-QGZVFWFLSA-N 1 2 382.507 2.001 20 0 GEADLO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CCS(N)(=O)=O)CC2 ZINC000735919723 651802451 /nfs/dbraw/zinc/80/24/51/651802451.db2.gz QKLSBFHGLGIMKQ-QGZVFWFLSA-N 1 2 382.507 2.001 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)cc1F ZINC000614719339 651834327 /nfs/dbraw/zinc/83/43/27/651834327.db2.gz XIGDUXRZEBPXEH-SWLSCSKDSA-N 1 2 385.277 2.452 20 0 GEADLO C[C@H](CC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1)n1cc[nH+]c1 ZINC000649880886 651836159 /nfs/dbraw/zinc/83/61/59/651836159.db2.gz PCZXNZVGWZXQRJ-WBMJQRKESA-N 1 2 391.269 2.296 20 0 GEADLO O=S(=O)(c1ccc(Br)cn1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000571600582 651842778 /nfs/dbraw/zinc/84/27/78/651842778.db2.gz OQEZBSQNRCIVGQ-CYBMUJFWSA-N 1 2 384.255 2.081 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000650196628 651846628 /nfs/dbraw/zinc/84/66/28/651846628.db2.gz AUIRRZZSBOIAEZ-KGLIPLIRSA-N 1 2 380.286 2.391 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000650196628 651846631 /nfs/dbraw/zinc/84/66/31/651846631.db2.gz AUIRRZZSBOIAEZ-KGLIPLIRSA-N 1 2 380.286 2.391 20 0 GEADLO Cc1c(Br)ccnc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000571744986 651850733 /nfs/dbraw/zinc/85/07/33/651850733.db2.gz DBWOFEZSXFLXBL-WCQYABFASA-N 1 2 383.290 2.479 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000571803494 651855064 /nfs/dbraw/zinc/85/50/64/651855064.db2.gz BLCOSPCXSYNROL-GFCCVEGCSA-N 1 2 381.263 2.280 20 0 GEADLO OC[C@@H]([NH2+]Cc1noc(Cc2ccc(Br)cc2)n1)C1CCOCC1 ZINC000571833064 651856637 /nfs/dbraw/zinc/85/66/37/651856637.db2.gz FZKFKTAFMKCPEL-OAHLLOKOSA-N 1 2 396.285 2.300 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N(C)[C@H](C)CCO)[nH+]c12 ZINC000651028513 651869962 /nfs/dbraw/zinc/86/99/62/651869962.db2.gz QMTUABWNZXMGFO-GFCCVEGCSA-N 1 2 383.290 2.360 20 0 GEADLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cn1cc(I)cn1 ZINC000738016901 651875498 /nfs/dbraw/zinc/87/54/98/651875498.db2.gz KODNNLNWMCETJU-UHFFFAOYSA-N 1 2 385.205 2.348 20 0 GEADLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cn1cc(I)cn1 ZINC000738016901 651875500 /nfs/dbraw/zinc/87/55/00/651875500.db2.gz KODNNLNWMCETJU-UHFFFAOYSA-N 1 2 385.205 2.348 20 0 GEADLO Cc1cc(I)cnc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615932659 651884958 /nfs/dbraw/zinc/88/49/58/651884958.db2.gz QWLYIPGYJIAENM-SNVBAGLBSA-N 1 2 382.205 2.392 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)[C@@H](C)C1 ZINC000651651690 651893235 /nfs/dbraw/zinc/89/32/35/651893235.db2.gz HASWUWJUQUJRQU-VHSXEESVSA-N 1 2 387.354 2.272 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)[C@@H](C)C1 ZINC000651651690 651893240 /nfs/dbraw/zinc/89/32/40/651893240.db2.gz HASWUWJUQUJRQU-VHSXEESVSA-N 1 2 387.354 2.272 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C(C)(C)C1 ZINC000651901557 651900114 /nfs/dbraw/zinc/90/01/14/651900114.db2.gz RPMLMBHTDOAKEL-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C(C)(C)C1 ZINC000651901557 651900137 /nfs/dbraw/zinc/90/01/37/651900137.db2.gz RPMLMBHTDOAKEL-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cc(C)cc(C)c2Br)CC1 ZINC000652998152 651931216 /nfs/dbraw/zinc/93/12/16/651931216.db2.gz ABABLHPTURPCQF-UHFFFAOYSA-N 1 2 399.329 2.487 20 0 GEADLO O=C(NC[C@H]1CCCCC1(F)F)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000573418497 651953690 /nfs/dbraw/zinc/95/36/90/651953690.db2.gz BRRXKNMFCOJPFF-ZBFHGGJFSA-N 1 2 377.501 2.319 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000617724078 651966996 /nfs/dbraw/zinc/96/69/96/651966996.db2.gz VLXMNINENYBULD-MNOVXSKESA-N 1 2 381.274 2.164 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000617724078 651967005 /nfs/dbraw/zinc/96/70/05/651967005.db2.gz VLXMNINENYBULD-MNOVXSKESA-N 1 2 381.274 2.164 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)[C@@H](C)CO1 ZINC000617735688 651968724 /nfs/dbraw/zinc/96/87/24/651968724.db2.gz SQMVEEMOEFYERG-NWDGAFQWSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)[C@@H](C)CO1 ZINC000617735688 651968728 /nfs/dbraw/zinc/96/87/28/651968728.db2.gz SQMVEEMOEFYERG-NWDGAFQWSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc3c(c(Br)c2)OCO3)[C@@H](C)CO1 ZINC000617734731 651969079 /nfs/dbraw/zinc/96/90/79/651969079.db2.gz HDJXMFXPROCXHL-QWRGUYRKSA-N 1 2 385.258 2.017 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc3c(c(Br)c2)OCO3)[C@@H](C)CO1 ZINC000617734731 651969093 /nfs/dbraw/zinc/96/90/93/651969093.db2.gz HDJXMFXPROCXHL-QWRGUYRKSA-N 1 2 385.258 2.017 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1cc(F)ccc1Br ZINC000655121417 651979561 /nfs/dbraw/zinc/97/95/61/651979561.db2.gz IXCKNGIHSYBXBM-OKILXGFUSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1cc(F)ccc1Br ZINC000655121417 651979568 /nfs/dbraw/zinc/97/95/68/651979568.db2.gz IXCKNGIHSYBXBM-OKILXGFUSA-N 1 2 386.265 2.251 20 0 GEADLO N=C1NC(=O)[C@H](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)S1 ZINC000742481719 651989878 /nfs/dbraw/zinc/98/98/78/651989878.db2.gz ANPXJUZLAUAVES-KBPBESRZSA-N 1 2 380.901 2.150 20 0 GEADLO N=C1NC(=O)C(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)S1 ZINC000742481719 651989894 /nfs/dbraw/zinc/98/98/94/651989894.db2.gz ANPXJUZLAUAVES-KBPBESRZSA-N 1 2 380.901 2.150 20 0 GEADLO O=Cc1ccc(OCC(=O)NCCCCn2cc[nH+]c2)c(Br)c1 ZINC000742671017 651996874 /nfs/dbraw/zinc/99/68/74/651996874.db2.gz PTZLLXMRUXTKNZ-UHFFFAOYSA-N 1 2 380.242 2.434 20 0 GEADLO COc1ccc(Br)c([C@@H]2C(=O)N(CCn3cc[nH+]c3)C(=O)N2C)c1 ZINC000574167673 652004980 /nfs/dbraw/zinc/00/49/80/652004980.db2.gz OWTFMAATIMLHLX-CQSZACIVSA-N 1 2 393.241 2.290 20 0 GEADLO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000656250388 652028130 /nfs/dbraw/zinc/02/81/30/652028130.db2.gz PFGOVSNYJVELML-HNNXBMFYSA-N 1 2 382.917 2.348 20 0 GEADLO Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000656250388 652028137 /nfs/dbraw/zinc/02/81/37/652028137.db2.gz PFGOVSNYJVELML-HNNXBMFYSA-N 1 2 382.917 2.348 20 0 GEADLO O=S(=O)(CCc1ccccc1Cl)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000656936344 652067874 /nfs/dbraw/zinc/06/78/74/652067874.db2.gz KAPSBROWKJVDOB-ROUUACIJSA-N 1 2 386.945 2.445 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745078173 652068443 /nfs/dbraw/zinc/06/84/43/652068443.db2.gz BRKYRHZFYORLSR-OAHLLOKOSA-N 1 2 383.286 2.435 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745078173 652068450 /nfs/dbraw/zinc/06/84/50/652068450.db2.gz BRKYRHZFYORLSR-OAHLLOKOSA-N 1 2 383.286 2.435 20 0 GEADLO Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746469759 652108944 /nfs/dbraw/zinc/10/89/44/652108944.db2.gz SZBDVXQEGUQHBH-RUZDIDTESA-N 1 2 380.945 2.330 20 0 GEADLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746470492 652109091 /nfs/dbraw/zinc/10/90/91/652109091.db2.gz WXQRYBLYTJVHCF-ZJWNCGCPSA-N 1 2 382.917 2.447 20 0 GEADLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746470486 652109144 /nfs/dbraw/zinc/10/91/44/652109144.db2.gz WXQRYBLYTJVHCF-CANCMXDXSA-N 1 2 382.917 2.447 20 0 GEADLO Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[NH+](CC[S@](C)=O)CC2)c(Cl)c1 ZINC000746469738 652109163 /nfs/dbraw/zinc/10/91/63/652109163.db2.gz SYEHPHNZUVMLMX-BZQUYTCOSA-N 1 2 385.961 2.280 20 0 GEADLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746470488 652109173 /nfs/dbraw/zinc/10/91/73/652109173.db2.gz WXQRYBLYTJVHCF-SHZVTRLKSA-N 1 2 382.917 2.447 20 0 GEADLO COc1cccc(S(=O)(=O)CC[NH+]2CCC(N(C)CC(F)F)CC2)c1 ZINC000746480550 652109736 /nfs/dbraw/zinc/10/97/36/652109736.db2.gz AZBWASPPKBBTFY-UHFFFAOYSA-N 1 2 376.469 2.130 20 0 GEADLO CCCNC(=O)C1CC[NH+](CN2C(=S)N=NC2Cc2cccs2)CC1 ZINC000746503080 652111379 /nfs/dbraw/zinc/11/13/79/652111379.db2.gz UCQVUNLVPBQPBX-UHFFFAOYSA-N 1 2 379.555 2.415 20 0 GEADLO CCn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000576447369 652118855 /nfs/dbraw/zinc/11/88/55/652118855.db2.gz YJYQBMHWUIFZID-SSOJOUAXSA-N 1 2 375.523 2.456 20 0 GEADLO CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000576447368 652119119 /nfs/dbraw/zinc/11/91/19/652119119.db2.gz YJYQBMHWUIFZID-NSYGIPOTSA-N 1 2 375.523 2.456 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)CSCC(=O)Nc1cccc(Br)c1 ZINC000576682335 652137017 /nfs/dbraw/zinc/13/70/17/652137017.db2.gz HCQMBLALGIFXMS-UHFFFAOYSA-N 1 2 397.298 2.469 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000576715272 652139553 /nfs/dbraw/zinc/13/95/53/652139553.db2.gz HWFZJCPRZBJPQG-YPMHNXCESA-N 1 2 398.276 2.457 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000576715272 652139561 /nfs/dbraw/zinc/13/95/61/652139561.db2.gz HWFZJCPRZBJPQG-YPMHNXCESA-N 1 2 398.276 2.457 20 0 GEADLO C[N@H+](CCCNC(=O)C1CCC1)Cc1ncc(I)s1 ZINC000576864467 652149289 /nfs/dbraw/zinc/14/92/89/652149289.db2.gz SZCYFOOXPIUBTA-UHFFFAOYSA-N 1 2 393.294 2.486 20 0 GEADLO C[N@@H+](CCCNC(=O)C1CCC1)Cc1ncc(I)s1 ZINC000576864467 652149300 /nfs/dbraw/zinc/14/93/00/652149300.db2.gz SZCYFOOXPIUBTA-UHFFFAOYSA-N 1 2 393.294 2.486 20 0 GEADLO COc1ccccc1S(=O)(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000576957380 652158159 /nfs/dbraw/zinc/15/81/59/652158159.db2.gz MGWULAUSOQCMMP-UHFFFAOYSA-N 1 2 381.523 2.478 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)n1 ZINC000657341963 652161913 /nfs/dbraw/zinc/16/19/13/652161913.db2.gz DQHHVBJJJNYZQQ-UHFFFAOYSA-N 1 2 395.305 2.100 20 0 GEADLO CO[C@H](C)c1nc(CN2CCC[N@H+](CCS(=O)(=O)C(C)C)CC2)cs1 ZINC000747528772 652167586 /nfs/dbraw/zinc/16/75/86/652167586.db2.gz DHQXYNDTXSYUHQ-OAHLLOKOSA-N 1 2 389.587 2.181 20 0 GEADLO CO[C@H](C)c1nc(CN2CCC[N@@H+](CCS(=O)(=O)C(C)C)CC2)cs1 ZINC000747528772 652167594 /nfs/dbraw/zinc/16/75/94/652167594.db2.gz DHQXYNDTXSYUHQ-OAHLLOKOSA-N 1 2 389.587 2.181 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CC(F)(F)c1ccc(Br)cc1 ZINC000622006576 652173880 /nfs/dbraw/zinc/17/38/80/652173880.db2.gz BWWFHHPPGGUJDS-LBPRGKRZSA-N 1 2 399.195 2.427 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CC(F)(F)c1ccc(Br)cc1 ZINC000622006576 652173884 /nfs/dbraw/zinc/17/38/84/652173884.db2.gz BWWFHHPPGGUJDS-LBPRGKRZSA-N 1 2 399.195 2.427 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000622048590 652181181 /nfs/dbraw/zinc/18/11/81/652181181.db2.gz PMPSHNYJNMMVGN-RYUDHWBXSA-N 1 2 397.269 2.113 20 0 GEADLO C[C@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)CS1(=O)=O ZINC000657638955 652183593 /nfs/dbraw/zinc/18/35/93/652183593.db2.gz NUHQWBAKANZSQE-NWDGAFQWSA-N 1 2 399.314 2.085 20 0 GEADLO FC(F)(F)Cn1c(=S)n(C[NH+]2C3CCC2CC3)nc1N1CCOCC1 ZINC000748292828 652197489 /nfs/dbraw/zinc/19/74/89/652197489.db2.gz FYDMUJNDCUOLNT-UHFFFAOYSA-N 1 2 377.436 2.397 20 0 GEADLO CC[NH2+]CCCNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000577839103 652220503 /nfs/dbraw/zinc/22/05/03/652220503.db2.gz TXHNYPXGNCNNDO-UHFFFAOYSA-N 1 2 383.499 2.065 20 0 GEADLO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000657959402 652221386 /nfs/dbraw/zinc/22/13/86/652221386.db2.gz HSTNHXBJGJEPTK-UHFFFAOYSA-N 1 2 381.205 2.074 20 0 GEADLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000623121996 652226976 /nfs/dbraw/zinc/22/69/76/652226976.db2.gz ZCAKMXAJEIJQRL-UHFFFAOYSA-N 1 2 381.420 2.164 20 0 GEADLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000623121996 652226988 /nfs/dbraw/zinc/22/69/88/652226988.db2.gz ZCAKMXAJEIJQRL-UHFFFAOYSA-N 1 2 381.420 2.164 20 0 GEADLO COc1ccc(Br)cc1C1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623255813 652229549 /nfs/dbraw/zinc/22/95/49/652229549.db2.gz WSRCAXYDKOZIQG-LBPRGKRZSA-N 1 2 376.254 2.427 20 0 GEADLO COc1ccc(S(=O)(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1 ZINC000577963465 652232792 /nfs/dbraw/zinc/23/27/92/652232792.db2.gz AQBXUWWIYDTISK-UHFFFAOYSA-N 1 2 381.523 2.478 20 0 GEADLO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000749100371 652235183 /nfs/dbraw/zinc/23/51/83/652235183.db2.gz ZTHGVCCJHMQPLA-GFCCVEGCSA-N 1 2 383.905 2.275 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(Br)c(F)c1F ZINC000623425128 652237120 /nfs/dbraw/zinc/23/71/20/652237120.db2.gz SDTXAJBOCLRMHK-SNVBAGLBSA-N 1 2 392.244 2.247 20 0 GEADLO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2c[nH]nn2)CC1 ZINC000623578284 652248148 /nfs/dbraw/zinc/24/81/48/652248148.db2.gz AWDJQPBNHINVPE-UHFFFAOYSA-N 1 2 378.274 2.270 20 0 GEADLO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2cn[nH]n2)CC1 ZINC000623578284 652248157 /nfs/dbraw/zinc/24/81/57/652248157.db2.gz AWDJQPBNHINVPE-UHFFFAOYSA-N 1 2 378.274 2.270 20 0 GEADLO C[C@@H]1[C@H]([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCS1(=O)=O ZINC000623719851 652256062 /nfs/dbraw/zinc/25/60/62/652256062.db2.gz MSXBIZRWQXGIFT-YMTOWFKASA-N 1 2 375.281 2.239 20 0 GEADLO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000624367561 652283817 /nfs/dbraw/zinc/28/38/17/652283817.db2.gz ZAJMHQVDQIMYGQ-ZDUSSCGKSA-N 1 2 383.258 2.219 20 0 GEADLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000624380780 652285113 /nfs/dbraw/zinc/28/51/13/652285113.db2.gz RLRYEOGQKYUATF-LLVKDONJSA-N 1 2 375.230 2.179 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)C[C@@H](C)O1 ZINC000578777501 652293555 /nfs/dbraw/zinc/29/35/55/652293555.db2.gz LVGZDYCZBPYJMR-DEICHXMPSA-N 1 2 398.345 2.451 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)C[C@@H](C)O1 ZINC000578777501 652293565 /nfs/dbraw/zinc/29/35/65/652293565.db2.gz LVGZDYCZBPYJMR-DEICHXMPSA-N 1 2 398.345 2.451 20 0 GEADLO Cc1cc(C2CC[NH+](CC(=O)Nc3nn[nH]n3)CC2)ccc1Br ZINC000578964179 652307188 /nfs/dbraw/zinc/30/71/88/652307188.db2.gz VZWQFOGFGAMTRT-UHFFFAOYSA-N 1 2 379.262 2.089 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000579238736 652327887 /nfs/dbraw/zinc/32/78/87/652327887.db2.gz VGLNFICVCASPAI-LBPRGKRZSA-N 1 2 387.221 2.049 20 0 GEADLO CC(=O)N1CC([NH2+][C@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000579251965 652329148 /nfs/dbraw/zinc/32/91/48/652329148.db2.gz OQKLBYHTXLGEFS-SNVBAGLBSA-N 1 2 378.274 2.220 20 0 GEADLO Cc1[nH]c2ccc(NC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)cc2[nH+]1 ZINC000579939824 652360231 /nfs/dbraw/zinc/36/02/31/652360231.db2.gz VJSTVGUFZBBWSE-UHFFFAOYSA-N 1 2 378.841 2.442 20 0 GEADLO COc1ccc(C[N@H+](C)Cc2coc(S(N)(=O)=O)c2)cc1OC(F)F ZINC000659837531 652367688 /nfs/dbraw/zinc/36/76/88/652367688.db2.gz JFDUCJVWLBWPDM-UHFFFAOYSA-N 1 2 376.381 2.169 20 0 GEADLO COc1ccc(C[N@@H+](C)Cc2coc(S(N)(=O)=O)c2)cc1OC(F)F ZINC000659837531 652367693 /nfs/dbraw/zinc/36/76/93/652367693.db2.gz JFDUCJVWLBWPDM-UHFFFAOYSA-N 1 2 376.381 2.169 20 0 GEADLO O=S(=O)(C[C@H](O)C[NH2+]Cc1occc1Br)c1cccs1 ZINC000752099944 652378838 /nfs/dbraw/zinc/37/88/38/652378838.db2.gz FSXHLMIIUCYCNR-SECBINFHSA-N 1 2 380.285 2.028 20 0 GEADLO CCN1OC[C@@H]([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1=O ZINC000660060300 652381064 /nfs/dbraw/zinc/38/10/64/652381064.db2.gz YAYJOBISDPBFRO-OAHLLOKOSA-N 1 2 396.285 2.262 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000626171211 652383849 /nfs/dbraw/zinc/38/38/49/652383849.db2.gz WRMRCAGEKRPLER-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000626171211 652383850 /nfs/dbraw/zinc/38/38/50/652383850.db2.gz WRMRCAGEKRPLER-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO Cn1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)n1 ZINC000580642695 652386758 /nfs/dbraw/zinc/38/67/58/652386758.db2.gz GXDIXNZUAIUVJI-MRXNPFEDSA-N 1 2 382.917 2.407 20 0 GEADLO Cn1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)n1 ZINC000580642695 652386759 /nfs/dbraw/zinc/38/67/59/652386759.db2.gz GXDIXNZUAIUVJI-MRXNPFEDSA-N 1 2 382.917 2.407 20 0 GEADLO CCOC(=O)c1csc(C2CCN(C(=O)[C@@H]([NH3+])c3cscn3)CC2)n1 ZINC000580769073 652391974 /nfs/dbraw/zinc/39/19/74/652391974.db2.gz PKPBYSLGBFCFSU-ZDUSSCGKSA-N 1 2 380.495 2.182 20 0 GEADLO O=S1(=O)CCN(C2CC[NH+](CCSc3ccc(F)cc3F)CC2)CC1 ZINC000660225465 652395824 /nfs/dbraw/zinc/39/58/24/652395824.db2.gz PNTCRGBORQSGSH-UHFFFAOYSA-N 1 2 390.521 2.252 20 0 GEADLO CCOCCOCC[N@H+](C)CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660388587 652400374 /nfs/dbraw/zinc/40/03/74/652400374.db2.gz AKVYJASRXKNCGB-UHFFFAOYSA-N 1 2 384.274 2.493 20 0 GEADLO CCOCCOCC[N@@H+](C)CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660388587 652400380 /nfs/dbraw/zinc/40/03/80/652400380.db2.gz AKVYJASRXKNCGB-UHFFFAOYSA-N 1 2 384.274 2.493 20 0 GEADLO Cn1ncc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1Br ZINC000753803486 652415989 /nfs/dbraw/zinc/41/59/89/652415989.db2.gz HDKUPCWICZVENF-UHFFFAOYSA-N 1 2 378.205 2.437 20 0 GEADLO Cc1cccc(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1Br ZINC000661054876 652417816 /nfs/dbraw/zinc/41/78/16/652417816.db2.gz DMZQBXQBDZIVCB-OAHLLOKOSA-N 1 2 382.302 2.374 20 0 GEADLO CC(C)[N@@H+]1CC[C@@H](NS(=O)(=O)C2COC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581702548 652422437 /nfs/dbraw/zinc/42/24/37/652422437.db2.gz SCWKNUYXOZCMGA-HZPDHXFCSA-N 1 2 376.881 2.321 20 0 GEADLO CC(C)[N@H+]1CC[C@@H](NS(=O)(=O)C2COC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581702548 652422439 /nfs/dbraw/zinc/42/24/39/652422439.db2.gz SCWKNUYXOZCMGA-HZPDHXFCSA-N 1 2 376.881 2.321 20 0 GEADLO CS(=O)(=O)[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C(F)(F)F ZINC000661190858 652423616 /nfs/dbraw/zinc/42/36/16/652423616.db2.gz JPYWKQWWYJOCIE-BZUAXINKSA-N 1 2 376.444 2.168 20 0 GEADLO CS(=O)(=O)[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C(F)(F)F ZINC000661190858 652423619 /nfs/dbraw/zinc/42/36/19/652423619.db2.gz JPYWKQWWYJOCIE-BZUAXINKSA-N 1 2 376.444 2.168 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](CO)C3CC3)[nH+]c12 ZINC000754269868 652431778 /nfs/dbraw/zinc/43/17/78/652431778.db2.gz IOKIEBGGOHGJGK-AWEZNQCLSA-N 1 2 381.274 2.018 20 0 GEADLO COc1ncc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)cn1 ZINC000754513749 652437859 /nfs/dbraw/zinc/43/78/59/652437859.db2.gz HDQZJXFTTKFVND-UHFFFAOYSA-N 1 2 390.241 2.176 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCCc3ccccc3Br)C[C@H]21 ZINC000661883760 652442590 /nfs/dbraw/zinc/44/25/90/652442590.db2.gz NIEIOACOPKELMT-IMJJTQAJSA-N 1 2 388.327 2.126 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCCc3ccccc3Br)C[C@H]21 ZINC000661883760 652442593 /nfs/dbraw/zinc/44/25/93/652442593.db2.gz NIEIOACOPKELMT-IMJJTQAJSA-N 1 2 388.327 2.126 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CCC(CO)(CO)C1 ZINC000661967747 652443622 /nfs/dbraw/zinc/44/36/22/652443622.db2.gz QXLSBINSFGCTGQ-SNVBAGLBSA-N 1 2 380.794 2.363 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC(CO)(CO)C1 ZINC000661967747 652443633 /nfs/dbraw/zinc/44/36/33/652443633.db2.gz QXLSBINSFGCTGQ-SNVBAGLBSA-N 1 2 380.794 2.363 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662012242 652445080 /nfs/dbraw/zinc/44/50/80/652445080.db2.gz DVAPMYJXZCOLCO-IUODEOHRSA-N 1 2 397.317 2.464 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662012242 652445081 /nfs/dbraw/zinc/44/50/81/652445081.db2.gz DVAPMYJXZCOLCO-IUODEOHRSA-N 1 2 397.317 2.464 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1)Nc1ccc(Br)cc1F ZINC000662054193 652446686 /nfs/dbraw/zinc/44/66/86/652446686.db2.gz DUJZARYPJOIUDV-GFCCVEGCSA-N 1 2 398.276 2.471 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](CN2CCCC2=O)C1)Nc1ccc(Br)cc1F ZINC000662054193 652446688 /nfs/dbraw/zinc/44/66/88/652446688.db2.gz DUJZARYPJOIUDV-GFCCVEGCSA-N 1 2 398.276 2.471 20 0 GEADLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000628174958 652453978 /nfs/dbraw/zinc/45/39/78/652453978.db2.gz DQUXXAFHOKESNP-UHFFFAOYSA-N 1 2 381.420 2.340 20 0 GEADLO C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000582540508 652454549 /nfs/dbraw/zinc/45/45/49/652454549.db2.gz PKHLBPHGAHFTAI-BXUZGUMPSA-N 1 2 380.495 2.271 20 0 GEADLO CN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1Br ZINC000662271513 652454944 /nfs/dbraw/zinc/45/49/44/652454944.db2.gz VLOQOJBJYRDESV-UHFFFAOYSA-N 1 2 384.318 2.112 20 0 GEADLO C[N@H+](Cc1cccc(F)c1OCC(F)(F)F)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000628291253 652456922 /nfs/dbraw/zinc/45/69/22/652456922.db2.gz UHEPKOHPZBSBTQ-GFCCVEGCSA-N 1 2 384.395 2.233 20 0 GEADLO C[N@@H+](Cc1cccc(F)c1OCC(F)(F)F)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000628291253 652456923 /nfs/dbraw/zinc/45/69/23/652456923.db2.gz UHEPKOHPZBSBTQ-GFCCVEGCSA-N 1 2 384.395 2.233 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000628495959 652459690 /nfs/dbraw/zinc/45/96/90/652459690.db2.gz FAWPRPVPXILYOR-JTQLQIEISA-N 1 2 397.360 2.280 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000628495959 652459692 /nfs/dbraw/zinc/45/96/92/652459692.db2.gz FAWPRPVPXILYOR-JTQLQIEISA-N 1 2 397.360 2.280 20 0 GEADLO CC(C)(CNC(=O)COc1c(F)cccc1Br)[NH+]1CCOCC1 ZINC000629232247 652481596 /nfs/dbraw/zinc/48/15/96/652481596.db2.gz ICMGXWPABGHOHU-UHFFFAOYSA-N 1 2 389.265 2.194 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000583332950 652481786 /nfs/dbraw/zinc/48/17/86/652481786.db2.gz ADAYSGXVZNYQOZ-AOOOYVTPSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000583332950 652481789 /nfs/dbraw/zinc/48/17/89/652481789.db2.gz ADAYSGXVZNYQOZ-AOOOYVTPSA-N 1 2 395.294 2.310 20 0 GEADLO C[C@@H](CCSc1ccccc1)[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000583417809 652483797 /nfs/dbraw/zinc/48/37/97/652483797.db2.gz AWEFNQLOSCQLFV-HNNXBMFYSA-N 1 2 380.539 2.287 20 0 GEADLO O=C(NC[C@@H]1CSCCS1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000756062541 652486578 /nfs/dbraw/zinc/48/65/78/652486578.db2.gz YJQNSISNVRGRHQ-QGZVFWFLSA-N 1 2 381.567 2.241 20 0 GEADLO Cc1nc(NCCCn2nc3n(c2=O)CCCC3)c(Br)c(C)[nH+]1 ZINC000663394205 652496461 /nfs/dbraw/zinc/49/64/61/652496461.db2.gz TXDZRCJYJLDKHJ-UHFFFAOYSA-N 1 2 381.278 2.053 20 0 GEADLO FC(F)(F)COc1ccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)nn1 ZINC000663415914 652497341 /nfs/dbraw/zinc/49/73/41/652497341.db2.gz JHOFJGDXEXCFDH-AWEZNQCLSA-N 1 2 378.420 2.038 20 0 GEADLO O=S(=O)(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1COC1 ZINC000583880179 652501144 /nfs/dbraw/zinc/50/11/44/652501144.db2.gz PTVAPXQPWGTKBF-QGZVFWFLSA-N 1 2 378.519 2.166 20 0 GEADLO O=S(=O)(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1COC1 ZINC000583880179 652501145 /nfs/dbraw/zinc/50/11/45/652501145.db2.gz PTVAPXQPWGTKBF-QGZVFWFLSA-N 1 2 378.519 2.166 20 0 GEADLO Cc1c(NC[C@](C)(O)C(F)(F)F)nc[nH+]c1NC[C@](C)(O)C(F)(F)F ZINC000663753472 652510828 /nfs/dbraw/zinc/51/08/28/652510828.db2.gz JVKODANPKIQNEH-QWRGUYRKSA-N 1 2 376.301 2.235 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1sccc1Br ZINC000663869244 652514064 /nfs/dbraw/zinc/51/40/64/652514064.db2.gz ZRMYZNMXRDFKBX-MNOVXSKESA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1sccc1Br ZINC000663869244 652514070 /nfs/dbraw/zinc/51/40/70/652514070.db2.gz ZRMYZNMXRDFKBX-MNOVXSKESA-N 1 2 376.320 2.419 20 0 GEADLO Cn1c[nH+]cc1CCN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O ZINC000663920313 652516511 /nfs/dbraw/zinc/51/65/11/652516511.db2.gz FDHKIBYHUFEWPU-INIZCTEOSA-N 1 2 377.242 2.192 20 0 GEADLO CC1(O)CCN(c2cc(NCCCn3cc(Br)cn3)[nH+]cn2)CC1 ZINC000663913803 652516548 /nfs/dbraw/zinc/51/65/48/652516548.db2.gz YKJAYYPXMVLBFT-UHFFFAOYSA-N 1 2 395.305 2.289 20 0 GEADLO CC1(O)CCN(c2cc(NCCCn3cc(Br)cn3)nc[nH+]2)CC1 ZINC000663913803 652516550 /nfs/dbraw/zinc/51/65/50/652516550.db2.gz YKJAYYPXMVLBFT-UHFFFAOYSA-N 1 2 395.305 2.289 20 0 GEADLO Cc1nc(N2CCC(C(=O)Nc3ccccc3Br)CC2)nc(N)[nH+]1 ZINC000631095118 652519808 /nfs/dbraw/zinc/51/98/08/652519808.db2.gz SFNQKUFCIWNJSN-UHFFFAOYSA-N 1 2 391.273 2.380 20 0 GEADLO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000631470069 652525599 /nfs/dbraw/zinc/52/55/99/652525599.db2.gz WHCLTQBFHFQJDP-CYBMUJFWSA-N 1 2 395.301 2.053 20 0 GEADLO NS(=O)(=O)c1cccc(F)c1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000631506281 652525975 /nfs/dbraw/zinc/52/59/75/652525975.db2.gz ZPUSACXTGPPWOO-UHFFFAOYSA-N 1 2 382.486 2.033 20 0 GEADLO O=S(=O)(c1cscc1Br)N1CCN(c2cccc[nH+]2)CC1 ZINC000631644263 652529349 /nfs/dbraw/zinc/52/93/49/652529349.db2.gz NJRFBIKLCLASPU-UHFFFAOYSA-N 1 2 388.312 2.417 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)C[C@@H]2CCC(F)(F)C2)C[C@@H](C)O1 ZINC000631797673 652534665 /nfs/dbraw/zinc/53/46/65/652534665.db2.gz DNYPPTGEMONMEW-FPCVCCKLSA-N 1 2 380.501 2.325 20 0 GEADLO O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000631936321 652542152 /nfs/dbraw/zinc/54/21/52/652542152.db2.gz ZCRSZCGXCKFQPB-NSHDSACASA-N 1 2 394.806 2.417 20 0 GEADLO O=S(=O)(Cc1ncsc1Br)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000632087196 652550410 /nfs/dbraw/zinc/55/04/10/652550410.db2.gz ORQFAMIGKWGPOZ-SECBINFHSA-N 1 2 391.316 2.338 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000759122363 652563871 /nfs/dbraw/zinc/56/38/71/652563871.db2.gz AROVWTUBMTYNSD-SWLSCSKDSA-N 1 2 381.325 2.431 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000759122363 652563873 /nfs/dbraw/zinc/56/38/73/652563873.db2.gz AROVWTUBMTYNSD-SWLSCSKDSA-N 1 2 381.325 2.431 20 0 GEADLO CNc1cc2c(nn1)CC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000592116856 652587806 /nfs/dbraw/zinc/58/78/06/652587806.db2.gz JQKCVBCCACUXGC-LBPRGKRZSA-N 1 2 383.279 2.623 20 0 GEADLO CNc1cc2c(nn1)CC[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000592116856 652587809 /nfs/dbraw/zinc/58/78/09/652587809.db2.gz JQKCVBCCACUXGC-LBPRGKRZSA-N 1 2 383.279 2.623 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000592200358 652590840 /nfs/dbraw/zinc/59/08/40/652590840.db2.gz VZDKVMYCTVZXLX-WZRBSPASSA-N 1 2 389.279 2.026 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000592200358 652590850 /nfs/dbraw/zinc/59/08/50/652590850.db2.gz VZDKVMYCTVZXLX-WZRBSPASSA-N 1 2 389.279 2.026 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N1CCc2ncsc2C1 ZINC000633488562 652600383 /nfs/dbraw/zinc/60/03/83/652600383.db2.gz VMXZFZBPVBRHNN-UHFFFAOYSA-N 1 2 375.523 2.359 20 0 GEADLO CN(C1CCOCC1)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760429777 652608991 /nfs/dbraw/zinc/60/89/91/652608991.db2.gz GMIGWWDSAVMBNC-IRXDYDNUSA-N 1 2 387.933 2.030 20 0 GEADLO CN(C1CCOCC1)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760429777 652608994 /nfs/dbraw/zinc/60/89/94/652608994.db2.gz GMIGWWDSAVMBNC-IRXDYDNUSA-N 1 2 387.933 2.030 20 0 GEADLO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593293465 652615972 /nfs/dbraw/zinc/61/59/72/652615972.db2.gz AORBAAHZXFTLPZ-CXNWIJIJSA-N 1 2 381.929 2.392 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCCc2sccc2C1 ZINC000593355346 652618120 /nfs/dbraw/zinc/61/81/20/652618120.db2.gz LPPCZNGQTYPXNC-SFHVURJKSA-N 1 2 381.567 2.414 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2cc(Br)cc3c2OCCO3)CCO1 ZINC000667825876 652620760 /nfs/dbraw/zinc/62/07/60/652620760.db2.gz LMCDHOFYNHYVLF-UHFFFAOYSA-N 1 2 399.285 2.061 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2cc(Br)cc3c2OCCO3)CCO1 ZINC000667825876 652620764 /nfs/dbraw/zinc/62/07/64/652620764.db2.gz LMCDHOFYNHYVLF-UHFFFAOYSA-N 1 2 399.285 2.061 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@@H+]2CCOC[C@H]2C)c(Br)c1 ZINC000668253575 652635168 /nfs/dbraw/zinc/63/51/68/652635168.db2.gz GTMPREFBUANUNZ-CYBMUJFWSA-N 1 2 385.302 2.227 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@H+]2CCOC[C@H]2C)c(Br)c1 ZINC000668253575 652635176 /nfs/dbraw/zinc/63/51/76/652635176.db2.gz GTMPREFBUANUNZ-CYBMUJFWSA-N 1 2 385.302 2.227 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(Br)c1 ZINC000668253576 652635254 /nfs/dbraw/zinc/63/52/54/652635254.db2.gz GTMPREFBUANUNZ-ZDUSSCGKSA-N 1 2 385.302 2.227 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@H+]2CCOC[C@@H]2C)c(Br)c1 ZINC000668253576 652635257 /nfs/dbraw/zinc/63/52/57/652635257.db2.gz GTMPREFBUANUNZ-ZDUSSCGKSA-N 1 2 385.302 2.227 20 0 GEADLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)N(C)CC(F)(F)F ZINC000634303972 652637128 /nfs/dbraw/zinc/63/71/28/652637128.db2.gz PAAVYFWQIRAKLL-LBPRGKRZSA-N 1 2 376.448 2.134 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000594177541 652642184 /nfs/dbraw/zinc/64/21/84/652642184.db2.gz RFVOKOCZQQVJTK-UHFFFAOYSA-N 1 2 381.841 2.010 20 0 GEADLO CO[C@@]1(CO)CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000668498466 652645081 /nfs/dbraw/zinc/64/50/81/652645081.db2.gz KNXHLMMBJJUIOL-INIZCTEOSA-N 1 2 381.274 2.003 20 0 GEADLO CO[C@@]1(CO)CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000668498466 652645082 /nfs/dbraw/zinc/64/50/82/652645082.db2.gz KNXHLMMBJJUIOL-INIZCTEOSA-N 1 2 381.274 2.003 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000668569864 652648369 /nfs/dbraw/zinc/64/83/69/652648369.db2.gz IAGPEMTWVJKWSB-NSHDSACASA-N 1 2 381.263 2.280 20 0 GEADLO Cn1nnc2cc(S(=O)(=O)Nc3ccc(Cl)c(C[NH+](C)C)c3)ccc21 ZINC000634658266 652648617 /nfs/dbraw/zinc/64/86/17/652648617.db2.gz YULVKPXAGYFXQB-UHFFFAOYSA-N 1 2 379.873 2.484 20 0 GEADLO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)C2 ZINC000668569578 652648559 /nfs/dbraw/zinc/64/85/59/652648559.db2.gz BULHVWWCLGLIEP-LBPRGKRZSA-N 1 2 391.269 2.001 20 0 GEADLO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000634661284 652651787 /nfs/dbraw/zinc/65/17/87/652651787.db2.gz ODOFVEJGSBFJNB-NSHDSACASA-N 1 2 375.372 2.204 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3cnc(-c4ccccc4F)s3)C[C@H]21 ZINC000668633343 652654250 /nfs/dbraw/zinc/65/42/50/652654250.db2.gz RYXIWXHFAFPJLE-IMJJTQAJSA-N 1 2 382.482 2.193 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4F)s3)C[C@H]21 ZINC000668633343 652654252 /nfs/dbraw/zinc/65/42/52/652654252.db2.gz RYXIWXHFAFPJLE-IMJJTQAJSA-N 1 2 382.482 2.193 20 0 GEADLO Ic1ccc2[nH]c(NCc3cnn4c3CCC4)[nH+]c2c1 ZINC000594999673 652701751 /nfs/dbraw/zinc/70/17/51/652701751.db2.gz FWNBUAXHISGYCM-UHFFFAOYSA-N 1 2 379.205 2.344 20 0 GEADLO Ic1ccc2[nH+]c(NCc3cnn4c3CCC4)[nH]c2c1 ZINC000594999673 652701761 /nfs/dbraw/zinc/70/17/61/652701761.db2.gz FWNBUAXHISGYCM-UHFFFAOYSA-N 1 2 379.205 2.344 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000635288805 652711514 /nfs/dbraw/zinc/71/15/14/652711514.db2.gz NWXHFNLLDMSFNX-ZDUSSCGKSA-N 1 2 375.372 2.097 20 0 GEADLO COC(=O)CCN1CCC[C@H]([NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)C1=O ZINC000595482604 652730474 /nfs/dbraw/zinc/73/04/74/652730474.db2.gz SLMWBFCPZQMGND-UWVGGRQHSA-N 1 2 379.404 2.367 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(I)cc1)N1CCn2c[nH+]cc2C1 ZINC000595492593 652730764 /nfs/dbraw/zinc/73/07/64/652730764.db2.gz XICVGHPPXACBBL-NSHDSACASA-N 1 2 396.232 2.331 20 0 GEADLO CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459330 652730892 /nfs/dbraw/zinc/73/08/92/652730892.db2.gz AUMZFIDMTZMPAI-QJPTWQEYSA-N 1 2 378.420 2.193 20 0 GEADLO COC(=O)c1ccc2[nH]c(C[N@H+](C)CCn3cc(Br)cn3)nc2c1 ZINC000595490875 652731044 /nfs/dbraw/zinc/73/10/44/652731044.db2.gz SFSMEDDIPJTPDK-UHFFFAOYSA-N 1 2 392.257 2.441 20 0 GEADLO COC(=O)c1ccc2[nH]c(C[N@@H+](C)CCn3cc(Br)cn3)nc2c1 ZINC000595490875 652731050 /nfs/dbraw/zinc/73/10/50/652731050.db2.gz SFSMEDDIPJTPDK-UHFFFAOYSA-N 1 2 392.257 2.441 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635462600 652731840 /nfs/dbraw/zinc/73/18/40/652731840.db2.gz UBIBXFFKLZEMME-VXGBXAGGSA-N 1 2 377.242 2.339 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635462600 652731844 /nfs/dbraw/zinc/73/18/44/652731844.db2.gz UBIBXFFKLZEMME-VXGBXAGGSA-N 1 2 377.242 2.339 20 0 GEADLO COC(=O)C1CCN(C(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000595830078 652737175 /nfs/dbraw/zinc/73/71/75/652737175.db2.gz TXYNNPRTCSQNTA-AWEZNQCLSA-N 1 2 389.279 2.028 20 0 GEADLO O=C(NC[C@H]1CCCNC1=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000670430402 652747164 /nfs/dbraw/zinc/74/71/64/652747164.db2.gz XEIIMSXEGVZAHY-GDBMZVCRSA-N 1 2 394.313 2.228 20 0 GEADLO Cc1nnc(CCC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)o1 ZINC000635795830 652754877 /nfs/dbraw/zinc/75/48/77/652754877.db2.gz SPQLPHQUZZPQOW-UHFFFAOYSA-N 1 2 392.257 2.388 20 0 GEADLO CS(=O)(=O)CC1CCC(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635972798 652769887 /nfs/dbraw/zinc/76/98/87/652769887.db2.gz GYVHGFGOQBBVTR-WXRRBKDZSA-N 1 2 381.420 2.096 20 0 GEADLO CS(=O)(=O)c1cccc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000635988315 652771360 /nfs/dbraw/zinc/77/13/60/652771360.db2.gz QUISZGWMBWZDSP-CYBMUJFWSA-N 1 2 375.372 2.097 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671395663 652794269 /nfs/dbraw/zinc/79/42/69/652794269.db2.gz AYJQCPGAJZSDRK-UHFFFAOYSA-N 1 2 377.897 2.492 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1Br ZINC000598184741 652803015 /nfs/dbraw/zinc/80/30/15/652803015.db2.gz NSWHFGHXJAGIKW-IAQYHMDHSA-N 1 2 392.253 2.239 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cn2cc(Br)ccc2n1 ZINC000671719739 652811144 /nfs/dbraw/zinc/81/11/44/652811144.db2.gz ASMUUJDWDGLZAB-CZUORRHYSA-N 1 2 379.302 2.392 20 0 GEADLO COC(=O)CC[N@@H+](Cc1cc(OC)ncc1Br)C[C@H]1CCCO1 ZINC000598593300 652823600 /nfs/dbraw/zinc/82/36/00/652823600.db2.gz SGRWSEFZBQBDKD-CYBMUJFWSA-N 1 2 387.274 2.397 20 0 GEADLO COC(=O)CC[N@H+](Cc1cc(OC)ncc1Br)C[C@H]1CCCO1 ZINC000598593300 652823607 /nfs/dbraw/zinc/82/36/07/652823607.db2.gz SGRWSEFZBQBDKD-CYBMUJFWSA-N 1 2 387.274 2.397 20 0 GEADLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672150792 652828309 /nfs/dbraw/zinc/82/83/09/652828309.db2.gz HUKLUGZGRRKOJB-XHDPSFHLSA-N 1 2 380.901 2.484 20 0 GEADLO C[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)Oc1ccccc1Br ZINC000636891042 652828334 /nfs/dbraw/zinc/82/83/34/652828334.db2.gz YXLBAOUUMMKQPF-VXGBXAGGSA-N 1 2 379.258 2.337 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1Cc2ccc(Br)cc2C1 ZINC000765283399 652835277 /nfs/dbraw/zinc/83/52/77/652835277.db2.gz MECRTLTUTRCBAN-CYBMUJFWSA-N 1 2 381.318 2.110 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000637123037 652840182 /nfs/dbraw/zinc/84/01/82/652840182.db2.gz UYWBELMFQSTXOG-IINYFYTJSA-N 1 2 377.242 2.393 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cccc(F)c1I ZINC000598948496 652842286 /nfs/dbraw/zinc/84/22/86/652842286.db2.gz QTKSZWGRLNCTJG-SECBINFHSA-N 1 2 385.180 2.372 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)s1 ZINC000637875368 652876043 /nfs/dbraw/zinc/87/60/43/652876043.db2.gz FFVHGWBCTBCMRS-UHFFFAOYSA-N 1 2 379.507 2.246 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC(C)(C)S(C)(=O)=O)n2)C1 ZINC000674019652 652880838 /nfs/dbraw/zinc/88/08/38/652880838.db2.gz VPJGMVROTHKQSA-GFCCVEGCSA-N 1 2 388.559 2.320 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC(C)(C)S(C)(=O)=O)n2)C1 ZINC000674019652 652880842 /nfs/dbraw/zinc/88/08/42/652880842.db2.gz VPJGMVROTHKQSA-GFCCVEGCSA-N 1 2 388.559 2.320 20 0 GEADLO CSCC[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C(N)=O ZINC000599706969 652884255 /nfs/dbraw/zinc/88/42/55/652884255.db2.gz BNDTVTVDCABVKL-AAEUAGOBSA-N 1 2 385.559 2.104 20 0 GEADLO CSCC[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C(N)=O ZINC000599706969 652884257 /nfs/dbraw/zinc/88/42/57/652884257.db2.gz BNDTVTVDCABVKL-AAEUAGOBSA-N 1 2 385.559 2.104 20 0 GEADLO C[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1c(Cl)cccc1Cl ZINC000674369101 652896907 /nfs/dbraw/zinc/89/69/07/652896907.db2.gz XYZYPFBVNXXXTN-STQMWFEESA-N 1 2 375.296 2.248 20 0 GEADLO C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1c(Cl)cccc1Cl ZINC000674369099 652897042 /nfs/dbraw/zinc/89/70/42/652897042.db2.gz XYZYPFBVNXXXTN-OLZOCXBDSA-N 1 2 375.296 2.248 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674626125 652906949 /nfs/dbraw/zinc/90/69/49/652906949.db2.gz LJPOYFTUQQXMSI-VWYCJHECSA-N 1 2 377.329 2.089 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674626125 652906957 /nfs/dbraw/zinc/90/69/57/652906957.db2.gz LJPOYFTUQQXMSI-VWYCJHECSA-N 1 2 377.329 2.089 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000675103710 652916839 /nfs/dbraw/zinc/91/68/39/652916839.db2.gz KSGMNQJVCSQFOV-UHFFFAOYSA-N 1 2 379.463 2.319 20 0 GEADLO CNS(=O)(=O)C1CC[NH+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000600687024 652932107 /nfs/dbraw/zinc/93/21/07/652932107.db2.gz DTZXVRCQYOWFJV-NSHDSACASA-N 1 2 384.889 2.465 20 0 GEADLO CS(=O)(=O)C1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000675528718 652932129 /nfs/dbraw/zinc/93/21/29/652932129.db2.gz FWNKPWAPWZAGKK-OAHLLOKOSA-N 1 2 385.555 2.104 20 0 GEADLO COc1ccc(Br)c(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1N ZINC000767556728 652933357 /nfs/dbraw/zinc/93/33/57/652933357.db2.gz WCRNJMYZGHPZFT-PHIMTYICSA-N 1 2 385.258 2.060 20 0 GEADLO COc1ccc(Br)c(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1N ZINC000767556728 652933362 /nfs/dbraw/zinc/93/33/62/652933362.db2.gz WCRNJMYZGHPZFT-PHIMTYICSA-N 1 2 385.258 2.060 20 0 GEADLO O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000639548152 652941109 /nfs/dbraw/zinc/94/11/09/652941109.db2.gz YAEZRYKAQUCHAP-CVEARBPZSA-N 1 2 375.296 2.140 20 0 GEADLO CN(CCCn1cc[nH+]c1)CN1C(=O)C(=O)c2ccc(Br)cc21 ZINC000767755988 652948699 /nfs/dbraw/zinc/94/86/99/652948699.db2.gz QKRFJOUHTZDIBL-UHFFFAOYSA-N 1 2 377.242 2.155 20 0 GEADLO COc1ncc(Br)cc1C[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639713035 652949370 /nfs/dbraw/zinc/94/93/70/652949370.db2.gz FSBLTOUJVBSMLB-SECBINFHSA-N 1 2 381.230 2.043 20 0 GEADLO COc1ncc(Br)cc1C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639713035 652949372 /nfs/dbraw/zinc/94/93/72/652949372.db2.gz FSBLTOUJVBSMLB-SECBINFHSA-N 1 2 381.230 2.043 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639728207 652950149 /nfs/dbraw/zinc/95/01/49/652950149.db2.gz CTTVLGUUBHEBPE-SNVBAGLBSA-N 1 2 382.873 2.051 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639728207 652950151 /nfs/dbraw/zinc/95/01/51/652950151.db2.gz CTTVLGUUBHEBPE-SNVBAGLBSA-N 1 2 382.873 2.051 20 0 GEADLO Nc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)o1 ZINC000639820109 652957851 /nfs/dbraw/zinc/95/78/51/652957851.db2.gz FINYDBUKVJVFQL-SNVBAGLBSA-N 1 2 380.246 2.232 20 0 GEADLO Nc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cc3)C2)o1 ZINC000639820109 652957853 /nfs/dbraw/zinc/95/78/53/652957853.db2.gz FINYDBUKVJVFQL-SNVBAGLBSA-N 1 2 380.246 2.232 20 0 GEADLO C[N@@H+](CC(=O)Nc1cnccn1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639916822 653088514 /nfs/dbraw/zinc/08/85/14/653088514.db2.gz BBLKHWCETYNVOM-ZDUSSCGKSA-N 1 2 385.251 2.094 20 0 GEADLO C[N@H+](CC(=O)Nc1cnccn1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639916822 653088518 /nfs/dbraw/zinc/08/85/18/653088518.db2.gz BBLKHWCETYNVOM-ZDUSSCGKSA-N 1 2 385.251 2.094 20 0 GEADLO O=C(c1c(F)cc(Br)cc1F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676339933 653094634 /nfs/dbraw/zinc/09/46/34/653094634.db2.gz LFRFFFACIMWBLS-NSHDSACASA-N 1 2 375.213 2.274 20 0 GEADLO O=C(c1cccc2[nH+]ccn21)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000767991001 653097291 /nfs/dbraw/zinc/09/72/91/653097291.db2.gz MKWOFKCUDIPFAT-MRXNPFEDSA-N 1 2 399.248 2.410 20 0 GEADLO Brc1ccccc1-n1nnnc1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676478337 653097333 /nfs/dbraw/zinc/09/73/33/653097333.db2.gz SIXVKFNDPFLXPN-CYBMUJFWSA-N 1 2 388.273 2.458 20 0 GEADLO Cn1c[nH+]cc1C[S@@](=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000768319908 653110004 /nfs/dbraw/zinc/11/00/04/653110004.db2.gz OHWATFHFJBNFNJ-NRFANRHFSA-N 1 2 381.306 2.450 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000768562660 653117476 /nfs/dbraw/zinc/11/74/76/653117476.db2.gz PEQSVHWFTALADI-IUCAKERBSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000768562660 653117483 /nfs/dbraw/zinc/11/74/83/653117483.db2.gz PEQSVHWFTALADI-IUCAKERBSA-N 1 2 382.711 2.211 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000768563319 653117630 /nfs/dbraw/zinc/11/76/30/653117630.db2.gz SQEFZIWQMZFUFL-VHSXEESVSA-N 1 2 395.294 2.310 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000768563319 653117633 /nfs/dbraw/zinc/11/76/33/653117633.db2.gz SQEFZIWQMZFUFL-VHSXEESVSA-N 1 2 395.294 2.310 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000805472959 653118431 /nfs/dbraw/zinc/11/84/31/653118431.db2.gz BSYNDKHOEQNPOK-BXUZGUMPSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000805472959 653118433 /nfs/dbraw/zinc/11/84/33/653118433.db2.gz BSYNDKHOEQNPOK-BXUZGUMPSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)C1 ZINC000805479167 653118959 /nfs/dbraw/zinc/11/89/59/653118959.db2.gz LHECKFGGCLCLCH-KGLIPLIRSA-N 1 2 376.236 2.471 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)C1 ZINC000805479167 653118966 /nfs/dbraw/zinc/11/89/66/653118966.db2.gz LHECKFGGCLCLCH-KGLIPLIRSA-N 1 2 376.236 2.471 20 0 GEADLO C[S@@](=O)c1cccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601856634 653130215 /nfs/dbraw/zinc/13/02/15/653130215.db2.gz WJVVHGMHODYUBQ-RUZDIDTESA-N 1 2 375.519 2.302 20 0 GEADLO Clc1cc(Cl)c2nc(Cn3cc(CC[NH+]4CCOCC4)nn3)cn2c1 ZINC000641017897 653150742 /nfs/dbraw/zinc/15/07/42/653150742.db2.gz HXDQLJCARWSFSJ-UHFFFAOYSA-N 1 2 381.267 2.156 20 0 GEADLO C[N@H+](CCO)Cc1cn(Cc2nnc(-c3c(Cl)cccc3Cl)o2)nn1 ZINC000641024038 653151022 /nfs/dbraw/zinc/15/10/22/653151022.db2.gz ZGCGUTJMOKVGCQ-UHFFFAOYSA-N 1 2 383.239 2.107 20 0 GEADLO C[N@@H+](CCO)Cc1cn(Cc2nnc(-c3c(Cl)cccc3Cl)o2)nn1 ZINC000641024038 653151026 /nfs/dbraw/zinc/15/10/26/653151026.db2.gz ZGCGUTJMOKVGCQ-UHFFFAOYSA-N 1 2 383.239 2.107 20 0 GEADLO CC(C)n1ncc2cc(CN3CC[NH+](CC[S@@](C)=O)CC3)c(Cl)nc21 ZINC000769481189 653158881 /nfs/dbraw/zinc/15/88/81/653158881.db2.gz SRWTXSCEEZZKQX-RUZDIDTESA-N 1 2 383.949 2.162 20 0 GEADLO C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O)[N@@H+]1CCc2sccc2C1 ZINC000602236016 653160233 /nfs/dbraw/zinc/16/02/33/653160233.db2.gz OVZAHBZWZGHYKF-DEZVNKJSSA-N 1 2 381.567 2.190 20 0 GEADLO C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O)[N@H+]1CCc2sccc2C1 ZINC000602236016 653160243 /nfs/dbraw/zinc/16/02/43/653160243.db2.gz OVZAHBZWZGHYKF-DEZVNKJSSA-N 1 2 381.567 2.190 20 0 GEADLO C[C@@H](CCSc1ccccc1)n1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC000641140168 653162527 /nfs/dbraw/zinc/16/25/27/653162527.db2.gz LITKSMCPKBASRY-LSDHHAIUSA-N 1 2 380.539 2.298 20 0 GEADLO COCC[N@H+](C)Cc1cn(C[C@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000641206288 653169598 /nfs/dbraw/zinc/16/95/98/653169598.db2.gz RMNJEYXXDDSQHG-ZDUSSCGKSA-N 1 2 389.283 2.103 20 0 GEADLO COCC[N@@H+](C)Cc1cn(C[C@H](O)COc2ccc(Cl)c(Cl)c2)nn1 ZINC000641206288 653169605 /nfs/dbraw/zinc/16/96/05/653169605.db2.gz RMNJEYXXDDSQHG-ZDUSSCGKSA-N 1 2 389.283 2.103 20 0 GEADLO COc1ccc([C@@H](C)NS(=O)(=O)CCn2cc[nH+]c2)cc1Br ZINC000641262194 653174454 /nfs/dbraw/zinc/17/44/54/653174454.db2.gz SOEJVXZYJPKGOL-LLVKDONJSA-N 1 2 388.287 2.335 20 0 GEADLO O=C(Nc1cc(C(F)(F)F)cc(Br)n1)N1CC[NH+](CCO)CC1 ZINC000806800402 653175669 /nfs/dbraw/zinc/17/56/69/653175669.db2.gz IIQXQQCCYNSHLH-UHFFFAOYSA-N 1 2 397.195 2.005 20 0 GEADLO CSCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000807060527 653182956 /nfs/dbraw/zinc/18/29/56/653182956.db2.gz XNELSXJJMYUQHN-RCBQFDQVSA-N 1 2 383.945 2.459 20 0 GEADLO CSCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000807060527 653182962 /nfs/dbraw/zinc/18/29/62/653182962.db2.gz XNELSXJJMYUQHN-RCBQFDQVSA-N 1 2 383.945 2.459 20 0 GEADLO COCC(=O)NC1CC[NH+](Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000681593280 653186976 /nfs/dbraw/zinc/18/69/76/653186976.db2.gz DLSFWTAENABZTB-UHFFFAOYSA-N 1 2 395.301 2.063 20 0 GEADLO Cn1cc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nc1Cl ZINC000769898820 653187701 /nfs/dbraw/zinc/18/77/01/653187701.db2.gz QQJBCDJSBKCDPY-UHFFFAOYSA-N 1 2 382.917 2.359 20 0 GEADLO Cn1cc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc1Cl ZINC000769898820 653187707 /nfs/dbraw/zinc/18/77/07/653187707.db2.gz QQJBCDJSBKCDPY-UHFFFAOYSA-N 1 2 382.917 2.359 20 0 GEADLO O[C@@H]1CCC[C@H]1[NH+]1CCN(c2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641342881 653189678 /nfs/dbraw/zinc/18/96/78/653189678.db2.gz KCDJXUHOYORTGD-NXEZZACHSA-N 1 2 395.223 2.293 20 0 GEADLO O=C1CC2(CN1)CC[NH+](Cn1c(=O)oc3cc(Br)c(F)cc31)CC2 ZINC000773315758 653192675 /nfs/dbraw/zinc/19/26/75/653192675.db2.gz LQKPSRGJMAVAEI-UHFFFAOYSA-N 1 2 398.232 2.056 20 0 GEADLO C[N@H+](CCc1cnccn1)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773320240 653193386 /nfs/dbraw/zinc/19/33/86/653193386.db2.gz FVEVPEMVERRMND-UHFFFAOYSA-N 1 2 381.205 2.418 20 0 GEADLO C[N@@H+](CCc1cnccn1)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773320240 653193389 /nfs/dbraw/zinc/19/33/89/653193389.db2.gz FVEVPEMVERRMND-UHFFFAOYSA-N 1 2 381.205 2.418 20 0 GEADLO Ic1ccc(C[NH2+]Cc2nnnn2CC2CC2)s1 ZINC000602617288 653195211 /nfs/dbraw/zinc/19/52/11/653195211.db2.gz CGFBZVXEQAKLHT-UHFFFAOYSA-N 1 2 375.239 2.039 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)c1Br ZINC000681933853 653199474 /nfs/dbraw/zinc/19/94/74/653199474.db2.gz YFEZXKYKSUOOBZ-ZDUSSCGKSA-N 1 2 399.333 2.478 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)c1Br ZINC000681933853 653199477 /nfs/dbraw/zinc/19/94/77/653199477.db2.gz YFEZXKYKSUOOBZ-ZDUSSCGKSA-N 1 2 399.333 2.478 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000641470920 653210798 /nfs/dbraw/zinc/21/07/98/653210798.db2.gz HYBRHARDHCLPOH-CYBMUJFWSA-N 1 2 397.806 2.208 20 0 GEADLO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CCc2[nH+]ccn2C1 ZINC000682476825 653211144 /nfs/dbraw/zinc/21/11/44/653211144.db2.gz SLQUUARDMPCENF-LBPRGKRZSA-N 1 2 392.253 2.296 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682493497 653215004 /nfs/dbraw/zinc/21/50/04/653215004.db2.gz XPAYDYKDAVOXGC-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682493497 653215010 /nfs/dbraw/zinc/21/50/10/653215010.db2.gz XPAYDYKDAVOXGC-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000773854676 653215332 /nfs/dbraw/zinc/21/53/32/653215332.db2.gz VGHXHGKPQPBMNO-OAHLLOKOSA-N 1 2 390.285 2.375 20 0 GEADLO Cc1cccc(C[NH+]2CCN(c3ncc(I)cn3)CC2)n1 ZINC000602957539 653217618 /nfs/dbraw/zinc/21/76/18/653217618.db2.gz VVJFFQXTZGBPHA-UHFFFAOYSA-N 1 2 395.248 2.107 20 0 GEADLO COc1ccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c(I)c1 ZINC000602991956 653220024 /nfs/dbraw/zinc/22/00/24/653220024.db2.gz YQWUPPPQLXKQCC-SECBINFHSA-N 1 2 398.204 2.243 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cn2ccc(-c3cccs3)n2)C1)C1CC1 ZINC000808226313 653223284 /nfs/dbraw/zinc/22/32/84/653223284.db2.gz LJOZPTMFMCHSQY-CQSZACIVSA-N 1 2 380.539 2.363 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cn2ccc(-c3cccs3)n2)C1)C1CC1 ZINC000808226313 653223285 /nfs/dbraw/zinc/22/32/85/653223285.db2.gz LJOZPTMFMCHSQY-CQSZACIVSA-N 1 2 380.539 2.363 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNc1cc(CO)cc[nH+]1 ZINC000641763160 653233224 /nfs/dbraw/zinc/23/32/24/653233224.db2.gz YXQCLQDOPDPNPO-LLVKDONJSA-N 1 2 394.269 2.462 20 0 GEADLO Cc1cn2cc(NC(=O)C(=O)N[C@@H]3CC[C@@H]4SCCS[C@H]34)ccc2[nH+]1 ZINC000774350468 653235559 /nfs/dbraw/zinc/23/55/59/653235559.db2.gz ULXGAMQOVAORHL-VNHYZAJKSA-N 1 2 376.507 2.077 20 0 GEADLO COC1(CO)CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000683679591 653237853 /nfs/dbraw/zinc/23/78/53/653237853.db2.gz RRBDLJJFIDMSIJ-UHFFFAOYSA-N 1 2 378.803 2.353 20 0 GEADLO CN(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000642252400 653240912 /nfs/dbraw/zinc/24/09/12/653240912.db2.gz KUATUCGFOSPKQH-GFCCVEGCSA-N 1 2 376.284 2.032 20 0 GEADLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 ZINC000642331886 653242458 /nfs/dbraw/zinc/24/24/58/653242458.db2.gz RHMUCLDOKJEVDP-UHFFFAOYSA-N 1 2 385.917 2.187 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccnc2I)C1 ZINC000774668446 653247507 /nfs/dbraw/zinc/24/75/07/653247507.db2.gz XCKVKQOTYPGEHQ-NSHDSACASA-N 1 2 396.232 2.440 20 0 GEADLO Cc1nc(CS(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cs1 ZINC000684107347 653260485 /nfs/dbraw/zinc/26/04/85/653260485.db2.gz FLKOHMRCNSKBLH-KRWDZBQOSA-N 1 2 397.591 2.489 20 0 GEADLO Cc1nc(CS(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cs1 ZINC000684107347 653260494 /nfs/dbraw/zinc/26/04/94/653260494.db2.gz FLKOHMRCNSKBLH-KRWDZBQOSA-N 1 2 397.591 2.489 20 0 GEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cc(C)cc(Br)c1 ZINC000774880095 653265339 /nfs/dbraw/zinc/26/53/39/653265339.db2.gz FZFXGNQAGLRUDY-UHFFFAOYSA-N 1 2 385.302 2.065 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000809581092 653283613 /nfs/dbraw/zinc/28/36/13/653283613.db2.gz ITRXNNRTUZYGAQ-HSZRJFAPSA-N 1 2 375.325 2.137 20 0 GEADLO COC(=O)C[C@]1([NH2+]Cc2nc3ccccn3c2Br)CCCOC1 ZINC000809644739 653287599 /nfs/dbraw/zinc/28/75/99/653287599.db2.gz VPFAKNNTBOVYSJ-MRXNPFEDSA-N 1 2 382.258 2.299 20 0 GEADLO COCC[N@H+](Cc1cc(C)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000809763080 653293897 /nfs/dbraw/zinc/29/38/97/653293897.db2.gz IZHOSHGTDOSZCD-HNNXBMFYSA-N 1 2 376.316 2.393 20 0 GEADLO COCC[N@@H+](Cc1cc(C)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000809763080 653293916 /nfs/dbraw/zinc/29/39/16/653293916.db2.gz IZHOSHGTDOSZCD-HNNXBMFYSA-N 1 2 376.316 2.393 20 0 GEADLO O=C1CCN1C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000857234702 653301386 /nfs/dbraw/zinc/30/13/86/653301386.db2.gz MDCWRXOHMWDCRC-UHFFFAOYSA-N 1 2 386.233 2.324 20 0 GEADLO Cn1c[nH+]cc1CNS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000809850782 653310137 /nfs/dbraw/zinc/31/01/37/653310137.db2.gz HNPFRGXOMPQSDB-UHFFFAOYSA-N 1 2 384.255 2.036 20 0 GEADLO CNC(=O)c1cccc(NC(=O)N2CCn3c[nH+]cc3C2)c1Br ZINC000685655378 653311129 /nfs/dbraw/zinc/31/11/29/653311129.db2.gz ZWKUQOCSCDZWHW-UHFFFAOYSA-N 1 2 378.230 2.053 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000874706387 653333745 /nfs/dbraw/zinc/33/37/45/653333745.db2.gz PBJMXZVPRXKCKT-OAHLLOKOSA-N 1 2 393.285 2.233 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000874706387 653333746 /nfs/dbraw/zinc/33/37/46/653333746.db2.gz PBJMXZVPRXKCKT-OAHLLOKOSA-N 1 2 393.285 2.233 20 0 GEADLO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000874828306 653338270 /nfs/dbraw/zinc/33/82/70/653338270.db2.gz HBSPUCVKIMUVMN-CHWSQXEVSA-N 1 2 376.400 2.289 20 0 GEADLO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000874828306 653338280 /nfs/dbraw/zinc/33/82/80/653338280.db2.gz HBSPUCVKIMUVMN-CHWSQXEVSA-N 1 2 376.400 2.289 20 0 GEADLO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000874847213 653339662 /nfs/dbraw/zinc/33/96/62/653339662.db2.gz MWOIJUQTYVKEBP-JKSUJKDBSA-N 1 2 382.913 2.341 20 0 GEADLO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000874847213 653339668 /nfs/dbraw/zinc/33/96/68/653339668.db2.gz MWOIJUQTYVKEBP-JKSUJKDBSA-N 1 2 382.913 2.341 20 0 GEADLO C[C@@]1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1(Cl)Cl ZINC000836249151 653340822 /nfs/dbraw/zinc/34/08/22/653340822.db2.gz HTLOHPPGLHAPCM-KBPBESRZSA-N 1 2 382.357 2.077 20 0 GEADLO COc1cc(/C=C/C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc(Br)c1O ZINC000857887586 653342316 /nfs/dbraw/zinc/34/23/16/653342316.db2.gz MUOVQBBXBPVGPZ-KXMPLOMGSA-N 1 2 378.226 2.114 20 0 GEADLO C[C@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000857899389 653342834 /nfs/dbraw/zinc/34/28/34/653342834.db2.gz DJLPORMWJCVHNT-JTQLQIEISA-N 1 2 388.417 2.218 20 0 GEADLO O=C(/C=C\c1ccc(I)o1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857965786 653344511 /nfs/dbraw/zinc/34/45/11/653344511.db2.gz QMGZCBYEOTXSBI-GQPNGRKGSA-N 1 2 383.189 2.225 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000857990181 653346760 /nfs/dbraw/zinc/34/67/60/653346760.db2.gz SSQJTKARCMUHDF-DGCLKSJQSA-N 1 2 389.253 2.260 20 0 GEADLO Cc1cc(Br)nc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000836764257 653375957 /nfs/dbraw/zinc/37/59/57/653375957.db2.gz QAONUOBJEBPMHU-CYBMUJFWSA-N 1 2 383.290 2.481 20 0 GEADLO C[C@@H](O)CNc1cc(N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)nc[nH+]1 ZINC000858828360 653379743 /nfs/dbraw/zinc/37/97/43/653379743.db2.gz HXNLYSWMACLUHF-JDSLSITLSA-N 1 2 393.285 2.344 20 0 GEADLO C[C@@H](O)CNc1cc(N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)[nH+]cn1 ZINC000858828360 653379748 /nfs/dbraw/zinc/37/97/48/653379748.db2.gz HXNLYSWMACLUHF-JDSLSITLSA-N 1 2 393.285 2.344 20 0 GEADLO CN(CCS(C)(=O)=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000875872483 653395041 /nfs/dbraw/zinc/39/50/41/653395041.db2.gz ZWNYPJAIRCFBHR-AWEZNQCLSA-N 1 2 396.340 2.282 20 0 GEADLO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cn2c(=O)oc3ccc(Cl)cc32)C1 ZINC000777566028 653401566 /nfs/dbraw/zinc/40/15/66/653401566.db2.gz ZHMMCRJXPSOHFZ-SECBINFHSA-N 1 2 377.750 2.206 20 0 GEADLO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cn2c(=O)oc3ccc(Cl)cc32)C1 ZINC000777566028 653401570 /nfs/dbraw/zinc/40/15/70/653401570.db2.gz ZHMMCRJXPSOHFZ-SECBINFHSA-N 1 2 377.750 2.206 20 0 GEADLO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000777569817 653402209 /nfs/dbraw/zinc/40/22/09/653402209.db2.gz JFKXBXJZKPLKMM-SNVBAGLBSA-N 1 2 395.476 2.232 20 0 GEADLO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cn2nc(N3CCCC3)sc2=S)C1 ZINC000777569817 653402216 /nfs/dbraw/zinc/40/22/16/653402216.db2.gz JFKXBXJZKPLKMM-SNVBAGLBSA-N 1 2 395.476 2.232 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc2ccc(Br)cc2n1 ZINC000811813055 653407026 /nfs/dbraw/zinc/40/70/26/653407026.db2.gz IKTFSLCECISVOX-OAHLLOKOSA-N 1 2 380.286 2.127 20 0 GEADLO CC[C@@H](C(=O)NC[C@H](O)c1ccccc1Br)[N@@H+]1CCO[C@H](CC)C1 ZINC000837197159 653410417 /nfs/dbraw/zinc/41/04/17/653410417.db2.gz BUGJBSHKRVZHCK-COXVUDFISA-N 1 2 399.329 2.488 20 0 GEADLO CC[C@@H](C(=O)NC[C@H](O)c1ccccc1Br)[N@H+]1CCO[C@H](CC)C1 ZINC000837197159 653410424 /nfs/dbraw/zinc/41/04/24/653410424.db2.gz BUGJBSHKRVZHCK-COXVUDFISA-N 1 2 399.329 2.488 20 0 GEADLO OC1(c2scnc2Br)CC[NH+](CCOC2CCOCC2)CC1 ZINC000859289562 653434962 /nfs/dbraw/zinc/43/49/62/653434962.db2.gz FSAPFIRRNGZBBC-UHFFFAOYSA-N 1 2 391.331 2.385 20 0 GEADLO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1nc(Cl)ccc1Br ZINC000876982440 653458014 /nfs/dbraw/zinc/45/80/14/653458014.db2.gz LLOHIINQEBWAER-UHFFFAOYSA-N 1 2 384.727 2.305 20 0 GEADLO COC(=O)[C@@]1([NH2+]CCC2OCCO2)CCc2cc(Br)ccc2C1 ZINC000859620683 653478002 /nfs/dbraw/zinc/47/80/02/653478002.db2.gz FXBVUKFRBVZQRO-QGZVFWFLSA-N 1 2 384.270 2.202 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc(Br)c(C)c1 ZINC000779566250 653496589 /nfs/dbraw/zinc/49/65/89/653496589.db2.gz PPSIBBGMHVUZHK-HNNXBMFYSA-N 1 2 394.269 2.245 20 0 GEADLO O=C1N[C@H]2CC[N@@H+](Cc3ccc(I)s3)C[C@@H]2CO1 ZINC000877497129 653527981 /nfs/dbraw/zinc/52/79/81/653527981.db2.gz GIXOSBHLCHSRKL-SCZZXKLOSA-N 1 2 378.235 2.283 20 0 GEADLO O=C1N[C@H]2CC[N@H+](Cc3ccc(I)s3)C[C@@H]2CO1 ZINC000877497129 653527999 /nfs/dbraw/zinc/52/79/99/653527999.db2.gz GIXOSBHLCHSRKL-SCZZXKLOSA-N 1 2 378.235 2.283 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CCO1 ZINC000838114578 653609044 /nfs/dbraw/zinc/60/90/44/653609044.db2.gz PMNNVSCVCAXOPS-XJKSGUPXSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CCO1 ZINC000838114578 653609047 /nfs/dbraw/zinc/60/90/47/653609047.db2.gz PMNNVSCVCAXOPS-XJKSGUPXSA-N 1 2 397.317 2.411 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cccnc2Br)C1)C1CC1 ZINC000877534171 653611070 /nfs/dbraw/zinc/61/10/70/653611070.db2.gz AFXIYGWDKOUWIL-GFCCVEGCSA-N 1 2 388.331 2.138 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cccnc2Br)C1)C1CC1 ZINC000877534171 653611075 /nfs/dbraw/zinc/61/10/75/653611075.db2.gz AFXIYGWDKOUWIL-GFCCVEGCSA-N 1 2 388.331 2.138 20 0 GEADLO COc1nsc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c1Br ZINC000877554985 653611908 /nfs/dbraw/zinc/61/19/08/653611908.db2.gz QKAVKQPRTJBCOF-SECBINFHSA-N 1 2 376.276 2.188 20 0 GEADLO COc1nsc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)c1Br ZINC000877554985 653611911 /nfs/dbraw/zinc/61/19/11/653611911.db2.gz QKAVKQPRTJBCOF-SECBINFHSA-N 1 2 376.276 2.188 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cc1Br ZINC000877625032 653614514 /nfs/dbraw/zinc/61/45/14/653614514.db2.gz GUXXFEVOGAFREH-GFCCVEGCSA-N 1 2 383.242 2.262 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)cc1Br ZINC000877625032 653614521 /nfs/dbraw/zinc/61/45/21/653614521.db2.gz GUXXFEVOGAFREH-GFCCVEGCSA-N 1 2 383.242 2.262 20 0 GEADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)c(S(N)(=O)=O)c3)C2)nc1 ZINC000877657632 653615709 /nfs/dbraw/zinc/61/57/09/653615709.db2.gz GIJRKHLFRLIIBP-AWEZNQCLSA-N 1 2 381.885 2.344 20 0 GEADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)c(S(N)(=O)=O)c3)C2)nc1 ZINC000877657632 653615711 /nfs/dbraw/zinc/61/57/11/653615711.db2.gz GIJRKHLFRLIIBP-AWEZNQCLSA-N 1 2 381.885 2.344 20 0 GEADLO CO[C@H]1C[C@H]2C[N@H+](Cc3c(Br)cnn3C)Cc3cccnc3N2C1 ZINC000877687717 653616969 /nfs/dbraw/zinc/61/69/69/653616969.db2.gz LFXOPRBGZVYSDN-KBPBESRZSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@H]1C[C@H]2C[N@@H+](Cc3c(Br)cnn3C)Cc3cccnc3N2C1 ZINC000877687717 653616973 /nfs/dbraw/zinc/61/69/73/653616973.db2.gz LFXOPRBGZVYSDN-KBPBESRZSA-N 1 2 392.301 2.187 20 0 GEADLO COC[C@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)c1cccc(Br)c1 ZINC000877758964 653618527 /nfs/dbraw/zinc/61/85/27/653618527.db2.gz PBNNEFPCDYECOP-ZDUSSCGKSA-N 1 2 389.271 2.167 20 0 GEADLO O=C1C[C@H](c2ccccc2)[N@H+](C[C@H](O)c2cc(Br)no2)CCN1 ZINC000878032134 653626761 /nfs/dbraw/zinc/62/67/61/653626761.db2.gz MAQZUDLOIYKJFY-OLZOCXBDSA-N 1 2 380.242 2.034 20 0 GEADLO O=C1C[C@H](c2ccccc2)[N@@H+](C[C@H](O)c2cc(Br)no2)CCN1 ZINC000878032134 653626762 /nfs/dbraw/zinc/62/67/62/653626762.db2.gz MAQZUDLOIYKJFY-OLZOCXBDSA-N 1 2 380.242 2.034 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c3nonc32)C1 ZINC000814390786 653629728 /nfs/dbraw/zinc/62/97/28/653629728.db2.gz MXSOVUCHYPEFOJ-SNVBAGLBSA-N 1 2 381.845 2.178 20 0 GEADLO CC(C)(C)OC(=O)NC1CC[NH+](C[C@@H](O)c2cc(Br)no2)CC1 ZINC000878210818 653631860 /nfs/dbraw/zinc/63/18/60/653631860.db2.gz AGBCNUGMXBPZAC-LLVKDONJSA-N 1 2 390.278 2.460 20 0 GEADLO COC(=O)c1cn(C2CC[NH+](Cc3ncccc3Br)CC2)nn1 ZINC000878431095 653637101 /nfs/dbraw/zinc/63/71/01/653637101.db2.gz ZBXROWZZYFNXIV-UHFFFAOYSA-N 1 2 380.246 2.059 20 0 GEADLO C[C@](O)(C1CC[NH+](C[C@@H](O)c2cc(Br)no2)CC1)C(F)(F)F ZINC000878439785 653637360 /nfs/dbraw/zinc/63/73/60/653637360.db2.gz WQKPFEXCCCMKGH-SKDRFNHKSA-N 1 2 387.196 2.496 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000860963871 653641886 /nfs/dbraw/zinc/64/18/86/653641886.db2.gz FMWZTPRSDHJIFU-INIZCTEOSA-N 1 2 389.283 2.126 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000860963871 653641888 /nfs/dbraw/zinc/64/18/88/653641888.db2.gz FMWZTPRSDHJIFU-INIZCTEOSA-N 1 2 389.283 2.126 20 0 GEADLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878610071 653642510 /nfs/dbraw/zinc/64/25/10/653642510.db2.gz BQBDXOIXHAKNEE-QWRGUYRKSA-N 1 2 376.251 2.023 20 0 GEADLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878610071 653642513 /nfs/dbraw/zinc/64/25/13/653642513.db2.gz BQBDXOIXHAKNEE-QWRGUYRKSA-N 1 2 376.251 2.023 20 0 GEADLO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000861034879 653644016 /nfs/dbraw/zinc/64/40/16/653644016.db2.gz KFDMAKPYJWVCKE-LBPRGKRZSA-N 1 2 375.874 2.011 20 0 GEADLO COCC[N@H+]1CCC[C@H]1COC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000861034879 653644017 /nfs/dbraw/zinc/64/40/17/653644017.db2.gz KFDMAKPYJWVCKE-LBPRGKRZSA-N 1 2 375.874 2.011 20 0 GEADLO Cc1cnc(OC2CC[NH+](C[C@H](O)c3cc(Br)no3)CC2)nc1 ZINC000878845110 653649472 /nfs/dbraw/zinc/64/94/72/653649472.db2.gz LMLUSORZXVMSOJ-LBPRGKRZSA-N 1 2 383.246 2.112 20 0 GEADLO CN(C1CC[NH+](Cc2cccc(C(=O)C(F)(F)F)c2)CC1)S(C)(=O)=O ZINC000839511166 653653106 /nfs/dbraw/zinc/65/31/06/653653106.db2.gz TZWURYLOMOGDKM-UHFFFAOYSA-N 1 2 378.416 2.287 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782002915 653653477 /nfs/dbraw/zinc/65/34/77/653653477.db2.gz BLLHUJKKWVWZJZ-UHFFFAOYSA-N 1 2 382.258 2.270 20 0 GEADLO O=C(CCNC(=O)c1ccc(Br)cc1)OCCCn1cc[nH+]c1 ZINC000782071760 653654531 /nfs/dbraw/zinc/65/45/31/653654531.db2.gz AKPKONXSPBXRKN-UHFFFAOYSA-N 1 2 380.242 2.399 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1 ZINC000879058877 653657492 /nfs/dbraw/zinc/65/74/92/653657492.db2.gz WTFIAEQFGUWUGC-LLLHUVSDSA-N 1 2 384.929 2.415 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1cccc2nsnc21 ZINC000861594299 653662125 /nfs/dbraw/zinc/66/21/25/653662125.db2.gz NTMQTFLUYTYSGU-MRXNPFEDSA-N 1 2 379.511 2.021 20 0 GEADLO Cc1nc(CN2CC[NH+](CCc3cnccn3)CC2)sc1Br ZINC000879422396 653668756 /nfs/dbraw/zinc/66/87/56/653668756.db2.gz ZLYKPTZBBLZKTO-UHFFFAOYSA-N 1 2 382.331 2.364 20 0 GEADLO CCOC(=O)c1nn(CN2CCN(c3cc(C)cc[nH+]3)CC2)c(=S)s1 ZINC000782834543 653670744 /nfs/dbraw/zinc/67/07/44/653670744.db2.gz YWWJNTNBOXVZRP-UHFFFAOYSA-N 1 2 379.511 2.334 20 0 GEADLO O=C(CS(=O)(=O)c1cccc(Br)c1)OCCCn1cc[nH+]c1 ZINC000782931772 653672462 /nfs/dbraw/zinc/67/24/62/653672462.db2.gz TUEDUYYREUJTFA-UHFFFAOYSA-N 1 2 387.255 2.053 20 0 GEADLO C[C@]12CC[N@H+](CN3C[C@](CO)(c4ccccn4)CC3=O)C[C@H]1C2(Cl)Cl ZINC000840067055 653673450 /nfs/dbraw/zinc/67/34/50/653673450.db2.gz MRAACKAWNSSZMH-XOKHGSTOSA-N 1 2 384.307 2.017 20 0 GEADLO C[C@]12CC[N@@H+](CN3C[C@](CO)(c4ccccn4)CC3=O)C[C@H]1C2(Cl)Cl ZINC000840067055 653673453 /nfs/dbraw/zinc/67/34/53/653673453.db2.gz MRAACKAWNSSZMH-XOKHGSTOSA-N 1 2 384.307 2.017 20 0 GEADLO CCn1c(=S)n(C[N@@H+]2CCC[C@]3(CCSC3)C2)nc1N1CCOCC1 ZINC000840145050 653676444 /nfs/dbraw/zinc/67/64/44/653676444.db2.gz OQDMIMOVNAVKOP-KRWDZBQOSA-N 1 2 383.587 2.447 20 0 GEADLO CCn1c(=S)n(C[N@H+]2CCC[C@]3(CCSC3)C2)nc1N1CCOCC1 ZINC000840145050 653676449 /nfs/dbraw/zinc/67/64/49/653676449.db2.gz OQDMIMOVNAVKOP-KRWDZBQOSA-N 1 2 383.587 2.447 20 0 GEADLO Cn1nc(Br)cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000879645010 653676984 /nfs/dbraw/zinc/67/69/84/653676984.db2.gz OQIVKJQRVYUKRI-UHFFFAOYSA-N 1 2 379.262 2.368 20 0 GEADLO COC[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cccc(Br)c1 ZINC000879663652 653678166 /nfs/dbraw/zinc/67/81/66/653678166.db2.gz OMRZXYIOPBFVLM-OAHLLOKOSA-N 1 2 394.269 2.495 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](CN2C(=S)N=NC2CCC2CCCC2)C1 ZINC000840186176 653678853 /nfs/dbraw/zinc/67/88/53/653678853.db2.gz LKDFTDAJDFKAKG-AWEZNQCLSA-N 1 2 384.571 2.485 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](CN2C(=S)N=NC2CCC2CCCC2)C1 ZINC000840186176 653678855 /nfs/dbraw/zinc/67/88/55/653678855.db2.gz LKDFTDAJDFKAKG-AWEZNQCLSA-N 1 2 384.571 2.485 20 0 GEADLO COc1cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc(I)c1OC ZINC000783740557 653683639 /nfs/dbraw/zinc/68/36/39/653683639.db2.gz JPKNREZBEJITCH-ABAIWWIYSA-N 1 2 389.233 2.123 20 0 GEADLO COc1cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc(I)c1OC ZINC000783740557 653683642 /nfs/dbraw/zinc/68/36/42/653683642.db2.gz JPKNREZBEJITCH-ABAIWWIYSA-N 1 2 389.233 2.123 20 0 GEADLO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c(Br)n1 ZINC000862363991 653684405 /nfs/dbraw/zinc/68/44/05/653684405.db2.gz YKDCKBBPNDYIFJ-JTQLQIEISA-N 1 2 397.239 2.463 20 0 GEADLO Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c(Br)n1 ZINC000862363991 653684409 /nfs/dbraw/zinc/68/44/09/653684409.db2.gz YKDCKBBPNDYIFJ-JTQLQIEISA-N 1 2 397.239 2.463 20 0 GEADLO CONC(=O)C1CC[NH+](Cc2cc(Br)ccc2C(=O)OC)CC1 ZINC000879924332 653687646 /nfs/dbraw/zinc/68/76/46/653687646.db2.gz PGGHYWKEBYXGNO-UHFFFAOYSA-N 1 2 385.258 2.125 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000862754875 653694326 /nfs/dbraw/zinc/69/43/26/653694326.db2.gz GQZPIYLNFNGAFF-LBPRGKRZSA-N 1 2 396.563 2.318 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000862754875 653694329 /nfs/dbraw/zinc/69/43/29/653694329.db2.gz GQZPIYLNFNGAFF-LBPRGKRZSA-N 1 2 396.563 2.318 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCNC(=O)CC12CCC2)c1ccc(Br)cc1 ZINC000880172807 653699936 /nfs/dbraw/zinc/69/99/36/653699936.db2.gz OPWPXBQWOHCMDO-ZDUSSCGKSA-N 1 2 394.313 2.371 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCNC(=O)CC12CCC2)c1ccc(Br)cc1 ZINC000880172807 653699939 /nfs/dbraw/zinc/69/99/39/653699939.db2.gz OPWPXBQWOHCMDO-ZDUSSCGKSA-N 1 2 394.313 2.371 20 0 GEADLO NC(=O)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880314423 653703454 /nfs/dbraw/zinc/70/34/54/653703454.db2.gz OIYCFAAXFATPMR-GFCCVEGCSA-N 1 2 376.507 2.149 20 0 GEADLO NC(=O)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880314423 653703457 /nfs/dbraw/zinc/70/34/57/653703457.db2.gz OIYCFAAXFATPMR-GFCCVEGCSA-N 1 2 376.507 2.149 20 0 GEADLO NC(=O)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880314424 653703498 /nfs/dbraw/zinc/70/34/98/653703498.db2.gz OIYCFAAXFATPMR-LBPRGKRZSA-N 1 2 376.507 2.149 20 0 GEADLO NC(=O)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880314424 653703499 /nfs/dbraw/zinc/70/34/99/653703499.db2.gz OIYCFAAXFATPMR-LBPRGKRZSA-N 1 2 376.507 2.149 20 0 GEADLO O=C(CCC[N@@H+]1CCC(=O)NCC12COC2)c1ccc(Br)cc1 ZINC000880401781 653705633 /nfs/dbraw/zinc/70/56/33/653705633.db2.gz AKUPFXWHGFDEGC-UHFFFAOYSA-N 1 2 381.270 2.003 20 0 GEADLO O=C(CCC[N@H+]1CCC(=O)NCC12COC2)c1ccc(Br)cc1 ZINC000880401781 653705635 /nfs/dbraw/zinc/70/56/35/653705635.db2.gz AKUPFXWHGFDEGC-UHFFFAOYSA-N 1 2 381.270 2.003 20 0 GEADLO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cn1ccc(Br)n1 ZINC000863313089 653706167 /nfs/dbraw/zinc/70/61/67/653706167.db2.gz LMGDBFBRAVWAIE-UHFFFAOYSA-N 1 2 377.283 2.076 20 0 GEADLO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cn1ccc(Br)n1 ZINC000863313089 653706169 /nfs/dbraw/zinc/70/61/69/653706169.db2.gz LMGDBFBRAVWAIE-UHFFFAOYSA-N 1 2 377.283 2.076 20 0 GEADLO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000863385278 653708729 /nfs/dbraw/zinc/70/87/29/653708729.db2.gz BLAPACVNOFUGTO-FZMZJTMJSA-N 1 2 385.233 2.356 20 0 GEADLO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCc2ncncc2C1 ZINC000880598947 653708787 /nfs/dbraw/zinc/70/87/87/653708787.db2.gz DKCOKXNXBUXEDM-AWEZNQCLSA-N 1 2 382.233 2.176 20 0 GEADLO O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCc2ncncc2C1 ZINC000880598947 653708789 /nfs/dbraw/zinc/70/87/89/653708789.db2.gz DKCOKXNXBUXEDM-AWEZNQCLSA-N 1 2 382.233 2.176 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc2sc(Cl)nc2c1)C[NH+]1CCOCC1 ZINC000841491365 653720683 /nfs/dbraw/zinc/72/06/83/653720683.db2.gz VNAZENPLSZQYRA-NSHDSACASA-N 1 2 389.930 2.196 20 0 GEADLO CC[C@H](C(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC)c1ccc(Br)cc1 ZINC000863907150 653722038 /nfs/dbraw/zinc/72/20/38/653722038.db2.gz BQXJAZZTIDZYJF-LSDHHAIUSA-N 1 2 394.269 2.497 20 0 GEADLO C[NH+]1CCN(c2ccc(Nc3nccn4cnnc34)cc2Br)CC1 ZINC000786827312 653728529 /nfs/dbraw/zinc/72/85/29/653728529.db2.gz LNQSVEUISLFPHO-UHFFFAOYSA-N 1 2 388.273 2.382 20 0 GEADLO CC[C@H]([NH2+]Cc1nn(CC)nc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000818344433 653730289 /nfs/dbraw/zinc/73/02/89/653730289.db2.gz CSMFOEFCINYFRS-AWEZNQCLSA-N 1 2 385.921 2.409 20 0 GEADLO O=C(NCCO)C1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000787187064 653735301 /nfs/dbraw/zinc/73/53/01/653735301.db2.gz LUTIRYAQQKDWMM-UHFFFAOYSA-N 1 2 375.694 2.423 20 0 GEADLO CCC(=O)N[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787531626 653739604 /nfs/dbraw/zinc/73/96/04/653739604.db2.gz DYKZIZXMOWFVDZ-GFCCVEGCSA-N 1 2 397.317 2.054 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000787728159 653742960 /nfs/dbraw/zinc/74/29/60/653742960.db2.gz CGLJPPSIHWLMPL-MRXNPFEDSA-N 1 2 388.917 2.147 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC[C@H](O)c2ccccc2Cl)C1 ZINC000881927820 653750776 /nfs/dbraw/zinc/75/07/76/653750776.db2.gz FOHREWLLYXUUBC-KRWDZBQOSA-N 1 2 380.897 2.340 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NC[C@H](O)c2ccccc2Cl)C1 ZINC000881927820 653750778 /nfs/dbraw/zinc/75/07/78/653750778.db2.gz FOHREWLLYXUUBC-KRWDZBQOSA-N 1 2 380.897 2.340 20 0 GEADLO COc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cnc1Br ZINC000788234112 653753130 /nfs/dbraw/zinc/75/31/30/653753130.db2.gz CRIBVPPCVVTSCL-LBPRGKRZSA-N 1 2 377.242 2.256 20 0 GEADLO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1nc(Br)ccc1F ZINC000788663560 653762443 /nfs/dbraw/zinc/76/24/43/653762443.db2.gz HBUCXTXADVEFQC-GWCFXTLKSA-N 1 2 386.265 2.414 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3nc(Br)ccc3F)C2=O)n(C)n1 ZINC000788662809 653762519 /nfs/dbraw/zinc/76/25/19/653762519.db2.gz DPRKLHMJACFQMU-ZYHUDNBSSA-N 1 2 396.264 2.481 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)[C@@H](C)C1 ZINC000788671389 653762879 /nfs/dbraw/zinc/76/28/79/653762879.db2.gz IPIRQVKCFOBBGX-QWRGUYRKSA-N 1 2 389.930 2.025 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)[C@@H](C)C1 ZINC000788671389 653762881 /nfs/dbraw/zinc/76/28/81/653762881.db2.gz IPIRQVKCFOBBGX-QWRGUYRKSA-N 1 2 389.930 2.025 20 0 GEADLO Cn1ncc(C(=O)N(CCn2cc[nH+]c2)Cc2ccccc2Br)n1 ZINC000820042993 653765528 /nfs/dbraw/zinc/76/55/28/653765528.db2.gz PADGJUSUBVHHQD-UHFFFAOYSA-N 1 2 389.257 2.117 20 0 GEADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000842852224 653770654 /nfs/dbraw/zinc/77/06/54/653770654.db2.gz KTOHROYNOZJJIS-LBPRGKRZSA-N 1 2 397.913 2.018 20 0 GEADLO CCc1nn(C)cc1S(=O)(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000882225133 653770938 /nfs/dbraw/zinc/77/09/38/653770938.db2.gz OMCQPHJTIBSHSP-UHFFFAOYSA-N 1 2 379.873 2.300 20 0 GEADLO O=S(=O)(/C=C/c1cccc(Br)c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000842863531 653770994 /nfs/dbraw/zinc/77/09/94/653770994.db2.gz HOFBLDBCELSWFF-NTYUQYKDSA-N 1 2 381.242 2.289 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000842881276 653771728 /nfs/dbraw/zinc/77/17/28/653771728.db2.gz LEYZZUGJJHYPDQ-MRZGDXHCSA-N 1 2 377.279 2.383 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)/C=C\c2ccccc2Br)C1 ZINC000842881147 653771730 /nfs/dbraw/zinc/77/17/30/653771730.db2.gz JCUZTEWKPQAULX-PIZKADEWSA-N 1 2 377.279 2.383 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+]C[C@](C)(F)C2)c(Cl)cc1Cl ZINC000842881786 653771773 /nfs/dbraw/zinc/77/17/73/653771773.db2.gz SDJDCCNHIKOMIX-AWEZNQCLSA-N 1 2 399.271 2.102 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)/C=C\c2ccc(Br)cc2)C1 ZINC000842881277 653771795 /nfs/dbraw/zinc/77/17/95/653771795.db2.gz LEYZZUGJJHYPDQ-PIZKADEWSA-N 1 2 377.279 2.383 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)n1 ZINC000865715675 653772622 /nfs/dbraw/zinc/77/26/22/653772622.db2.gz XLKPHQNBVVBXMG-MRXNPFEDSA-N 1 2 382.306 2.274 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cccc(Br)c1F ZINC000842970156 653775900 /nfs/dbraw/zinc/77/59/00/653775900.db2.gz YMVHVGUBRBMSTD-RYUDHWBXSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cccc(Br)c1F ZINC000842970156 653775902 /nfs/dbraw/zinc/77/59/02/653775902.db2.gz YMVHVGUBRBMSTD-RYUDHWBXSA-N 1 2 390.249 2.481 20 0 GEADLO COc1ccc(F)cc1C[NH2+]Cc1c(I)cnn1C ZINC000865869147 653778251 /nfs/dbraw/zinc/77/82/51/653778251.db2.gz YCIVXSOXRZWIBX-UHFFFAOYSA-N 1 2 375.185 2.462 20 0 GEADLO Cc1nc2ccccn2c1C[NH2+]Cc1c(I)cnn1C ZINC000865868948 653778308 /nfs/dbraw/zinc/77/83/08/653778308.db2.gz RGWSJEXCMYTYFD-UHFFFAOYSA-N 1 2 381.221 2.271 20 0 GEADLO Cc1nn(C)c(Cl)c1CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000882488954 653784619 /nfs/dbraw/zinc/78/46/19/653784619.db2.gz YMVRUOTYJNVYNK-UHFFFAOYSA-N 1 2 382.917 2.191 20 0 GEADLO Cc1nn(C)c(Cl)c1CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000882488954 653784620 /nfs/dbraw/zinc/78/46/20/653784620.db2.gz YMVRUOTYJNVYNK-UHFFFAOYSA-N 1 2 382.917 2.191 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@](C)(C(F)(F)F)C2)C1 ZINC000882498277 653785007 /nfs/dbraw/zinc/78/50/07/653785007.db2.gz ZRJQQVHKNNUXNN-HNNXBMFYSA-N 1 2 378.416 2.016 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@](C)(C(F)(F)F)C2)C1 ZINC000882498277 653785010 /nfs/dbraw/zinc/78/50/10/653785010.db2.gz ZRJQQVHKNNUXNN-HNNXBMFYSA-N 1 2 378.416 2.016 20 0 GEADLO O=C(c1cc(Br)cc(F)c1O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000866093404 653785704 /nfs/dbraw/zinc/78/57/04/653785704.db2.gz WKDADNRCYOPVJL-LLVKDONJSA-N 1 2 387.249 2.088 20 0 GEADLO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866101459 653785994 /nfs/dbraw/zinc/78/59/94/653785994.db2.gz MVJJAUOYMDQLKA-MLGOLLRUSA-N 1 2 393.285 2.111 20 0 GEADLO CCn1ncc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1Br ZINC000820975519 653787956 /nfs/dbraw/zinc/78/79/56/653787956.db2.gz RBIOWWXDGAZGSI-KBPBESRZSA-N 1 2 385.306 2.039 20 0 GEADLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(Br)cn3)[nH+]cn2)C1 ZINC000866193440 653788462 /nfs/dbraw/zinc/78/84/62/653788462.db2.gz MHGGSTRECUUVNU-NEPJUHHUSA-N 1 2 378.274 2.453 20 0 GEADLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(Br)cn3)nc[nH+]2)C1 ZINC000866193440 653788464 /nfs/dbraw/zinc/78/84/64/653788464.db2.gz MHGGSTRECUUVNU-NEPJUHHUSA-N 1 2 378.274 2.453 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@H]1CNc1ncc(Br)cc1S(N)(=O)=O ZINC000866195046 653788487 /nfs/dbraw/zinc/78/84/87/653788487.db2.gz MDLNQKCKETZGSW-CYBMUJFWSA-N 1 2 397.298 2.090 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@H]1CNc1ncc(Br)cc1S(N)(=O)=O ZINC000866195046 653788490 /nfs/dbraw/zinc/78/84/90/653788490.db2.gz MDLNQKCKETZGSW-CYBMUJFWSA-N 1 2 397.298 2.090 20 0 GEADLO OC[C@H]1CCCN(c2cc(NCc3ccc(Br)cn3)[nH+]cn2)C1 ZINC000866195918 653788721 /nfs/dbraw/zinc/78/87/21/653788721.db2.gz MBJWFJYKNXOFNN-LBPRGKRZSA-N 1 2 378.274 2.455 20 0 GEADLO OC[C@H]1CCCN(c2cc(NCc3ccc(Br)cn3)nc[nH+]2)C1 ZINC000866195918 653788724 /nfs/dbraw/zinc/78/87/24/653788724.db2.gz MBJWFJYKNXOFNN-LBPRGKRZSA-N 1 2 378.274 2.455 20 0 GEADLO O=C(c1cnn2cccc(Br)c12)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000821015197 653788802 /nfs/dbraw/zinc/78/88/02/653788802.db2.gz IYOKEYNBGYSYMN-ZDUSSCGKSA-N 1 2 393.285 2.034 20 0 GEADLO C[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)Oc1ccccc1Br ZINC000866353227 653791385 /nfs/dbraw/zinc/79/13/85/653791385.db2.gz DYUXQXUTRQIPQA-HJHHMULASA-N 1 2 383.286 2.221 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1CCn1cnc(Br)n1 ZINC000821368604 653796228 /nfs/dbraw/zinc/79/62/28/653796228.db2.gz PJHPJDHURNAWLJ-GFCCVEGCSA-N 1 2 388.310 2.420 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CCn1cnc(Br)n1 ZINC000821368604 653796229 /nfs/dbraw/zinc/79/62/29/653796229.db2.gz PJHPJDHURNAWLJ-GFCCVEGCSA-N 1 2 388.310 2.420 20 0 GEADLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000882735600 653801609 /nfs/dbraw/zinc/80/16/09/653801609.db2.gz MUOLVWKDJSIILD-UHFFFAOYSA-N 1 2 375.922 2.247 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000882735709 653801655 /nfs/dbraw/zinc/80/16/55/653801655.db2.gz RDYLDHGJFWLGOE-AWEZNQCLSA-N 1 2 377.242 2.175 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000882735709 653801656 /nfs/dbraw/zinc/80/16/56/653801656.db2.gz RDYLDHGJFWLGOE-AWEZNQCLSA-N 1 2 377.242 2.175 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844144623 653802285 /nfs/dbraw/zinc/80/22/85/653802285.db2.gz MYRWNKLCJMSHSO-MLGOLLRUSA-N 1 2 378.270 2.400 20 0 GEADLO CC[NH+]1CCC(NC(=O)CCS(=O)(=O)C2CCCC2)(C(F)(F)F)CC1 ZINC000821654879 653802909 /nfs/dbraw/zinc/80/29/09/653802909.db2.gz ZCLDVHUDTXEMPS-UHFFFAOYSA-N 1 2 384.464 2.267 20 0 GEADLO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866672373 653809479 /nfs/dbraw/zinc/80/94/79/653809479.db2.gz INZVNGAUBUBXRF-XMMPIXPASA-N 1 2 381.523 2.456 20 0 GEADLO COCCOCC[NH+]1CCN(C(=S)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000844595589 653809826 /nfs/dbraw/zinc/80/98/26/653809826.db2.gz BORSHEFECHDRPZ-UHFFFAOYSA-N 1 2 387.933 2.326 20 0 GEADLO COCCOCC[NH+]1CCN(C(=S)Nc2cc(OC)ccc2Cl)CC1 ZINC000844596993 653809981 /nfs/dbraw/zinc/80/99/81/653809981.db2.gz NTXCBFQXPKZYRV-UHFFFAOYSA-N 1 2 387.933 2.326 20 0 GEADLO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882838236 653813263 /nfs/dbraw/zinc/81/32/63/653813263.db2.gz BJVGMNHJYMLSSY-OWJWWREXSA-N 1 2 384.527 2.355 20 0 GEADLO Cn1cc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c(I)n1 ZINC000895075901 653816012 /nfs/dbraw/zinc/81/60/12/653816012.db2.gz IRCWEKXIDDWCBR-MRXNPFEDSA-N 1 2 397.260 2.291 20 0 GEADLO Cn1cc(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)c(I)n1 ZINC000895075901 653816015 /nfs/dbraw/zinc/81/60/15/653816015.db2.gz IRCWEKXIDDWCBR-MRXNPFEDSA-N 1 2 397.260 2.291 20 0 GEADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2nc(C)ccc2Br)CC1 ZINC000822046299 653817050 /nfs/dbraw/zinc/81/70/50/653817050.db2.gz DQGALYKRHWFQLB-UHFFFAOYSA-N 1 2 383.334 2.298 20 0 GEADLO O=S(=O)(c1oc2ccccc2c1Br)N1CC[NH2+]C[C@H]1C(F)F ZINC000866765199 653821359 /nfs/dbraw/zinc/82/13/59/653821359.db2.gz VORATVJLRRQDRJ-VIFPVBQESA-N 1 2 395.225 2.423 20 0 GEADLO C[C@@H](Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000895246061 653824710 /nfs/dbraw/zinc/82/47/10/653824710.db2.gz LEQFMSJHMDQPCK-MFKMUULPSA-N 1 2 383.411 2.165 20 0 GEADLO C[C@@H](Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F)[C@@H]1C[N@@H+](C)CCN1C ZINC000895246061 653824711 /nfs/dbraw/zinc/82/47/11/653824711.db2.gz LEQFMSJHMDQPCK-MFKMUULPSA-N 1 2 383.411 2.165 20 0 GEADLO Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)sc1C ZINC000822424650 653827227 /nfs/dbraw/zinc/82/72/27/653827227.db2.gz YGEHQFASZCRQHN-UHFFFAOYSA-N 1 2 377.499 2.465 20 0 GEADLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000895324680 653827550 /nfs/dbraw/zinc/82/75/50/653827550.db2.gz RIPFZUQCPIZFKX-JTQLQIEISA-N 1 2 377.080 2.221 20 0 GEADLO O=C1N(CC[NH2+]Cc2nc3ccccn3c2Br)C[C@@H]2CCCCN12 ZINC000895343100 653829031 /nfs/dbraw/zinc/82/90/31/653829031.db2.gz JYIDNROZIVVUBM-ZDUSSCGKSA-N 1 2 392.301 2.477 20 0 GEADLO Nc1cc(COC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)cc[nH+]1 ZINC000791915950 653829227 /nfs/dbraw/zinc/82/92/27/653829227.db2.gz IBNOSHKVCCAYNC-UHFFFAOYSA-N 1 2 381.841 2.214 20 0 GEADLO C[C@](CO)([NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1cccc(O)c1 ZINC000895390280 653831730 /nfs/dbraw/zinc/83/17/30/653831730.db2.gz VTVMTDKSRZJAFZ-QGZVFWFLSA-N 1 2 383.901 2.336 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cn(C)cc(Br)c2=O)C1 ZINC000822576471 653832051 /nfs/dbraw/zinc/83/20/51/653832051.db2.gz AQOPZRYAKWABKP-LLVKDONJSA-N 1 2 394.273 2.293 20 0 GEADLO Oc1cc(Br)cnc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000895438790 653834580 /nfs/dbraw/zinc/83/45/80/653834580.db2.gz SIQPQJGSKWKGHU-HZPDHXFCSA-N 1 2 382.302 2.283 20 0 GEADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCc1cnc(Br)cn1 ZINC000822724201 653838131 /nfs/dbraw/zinc/83/81/31/653838131.db2.gz DDXUROWPAIYPON-SECBINFHSA-N 1 2 378.152 2.246 20 0 GEADLO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000883446535 653840221 /nfs/dbraw/zinc/84/02/21/653840221.db2.gz GIGGOVUFHIUZGP-CYBMUJFWSA-N 1 2 393.289 2.128 20 0 GEADLO CC[N@H+]1CC[C@@H]1CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000883446535 653840222 /nfs/dbraw/zinc/84/02/22/653840222.db2.gz GIGGOVUFHIUZGP-CYBMUJFWSA-N 1 2 393.289 2.128 20 0 GEADLO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000883446535 653840226 /nfs/dbraw/zinc/84/02/26/653840226.db2.gz GIGGOVUFHIUZGP-CYBMUJFWSA-N 1 2 393.289 2.128 20 0 GEADLO CC[N@H+]1CC[C@@H]1CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000883446535 653840228 /nfs/dbraw/zinc/84/02/28/653840228.db2.gz GIGGOVUFHIUZGP-CYBMUJFWSA-N 1 2 393.289 2.128 20 0 GEADLO COC(=O)[C@]1(O)CC[N@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000895703053 653846641 /nfs/dbraw/zinc/84/66/41/653846641.db2.gz XUSYCURSBRHCNH-AWEZNQCLSA-N 1 2 380.185 2.160 20 0 GEADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000895703053 653846645 /nfs/dbraw/zinc/84/66/45/653846645.db2.gz XUSYCURSBRHCNH-AWEZNQCLSA-N 1 2 380.185 2.160 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1sccc1Br ZINC000883952651 653858374 /nfs/dbraw/zinc/85/83/74/653858374.db2.gz QDUYKTPJNAVNTK-LBPRGKRZSA-N 1 2 390.347 2.415 20 0 GEADLO Cc1cn(C(C)(C)C(=O)NCCNC(=O)c2cccc(Br)c2)c[nH+]1 ZINC000896036855 653861485 /nfs/dbraw/zinc/86/14/85/653861485.db2.gz MVIPENXAJTWJMS-UHFFFAOYSA-N 1 2 393.285 2.235 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000866995288 653862230 /nfs/dbraw/zinc/86/22/30/653862230.db2.gz DVJIDCZMOGLNOS-FYSMJZIKSA-N 1 2 384.527 2.193 20 0 GEADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000823390049 653866572 /nfs/dbraw/zinc/86/65/72/653866572.db2.gz BEUTXUBOSAJFQK-CQSZACIVSA-N 1 2 375.485 2.273 20 0 GEADLO NS(=O)(=O)c1cc(CN2CCC(Nc3cccc[nH+]3)CC2)ccc1Cl ZINC000896193675 653868260 /nfs/dbraw/zinc/86/82/60/653868260.db2.gz CQWIFLOGTWDJBW-UHFFFAOYSA-N 1 2 380.901 2.459 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000793240112 653871769 /nfs/dbraw/zinc/87/17/69/653871769.db2.gz DFNFCLZUQLNGGP-UHFFFAOYSA-N 1 2 383.857 2.013 20 0 GEADLO O=C(NCc1nc(C(F)(F)F)no1)N1CC[NH+](Cc2cccs2)CC1 ZINC000896411189 653879061 /nfs/dbraw/zinc/87/90/61/653879061.db2.gz ABUQOGFPQKHTJV-UHFFFAOYSA-N 1 2 375.376 2.177 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000793620359 653881397 /nfs/dbraw/zinc/88/13/97/653881397.db2.gz OFVMSUGQCJRYCY-YOEHRIQHSA-N 1 2 387.933 2.207 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000793620359 653881398 /nfs/dbraw/zinc/88/13/98/653881398.db2.gz OFVMSUGQCJRYCY-YOEHRIQHSA-N 1 2 387.933 2.207 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896544871 653884010 /nfs/dbraw/zinc/88/40/10/653884010.db2.gz NBZVZGLZFOTPDD-ONGXEEELSA-N 1 2 378.514 2.059 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896544871 653884012 /nfs/dbraw/zinc/88/40/12/653884012.db2.gz NBZVZGLZFOTPDD-ONGXEEELSA-N 1 2 378.514 2.059 20 0 GEADLO C[C@@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896544467 653884071 /nfs/dbraw/zinc/88/40/71/653884071.db2.gz FPZIXCRWKFXNBG-YPMHNXCESA-N 1 2 381.933 2.166 20 0 GEADLO C[C@@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896544467 653884073 /nfs/dbraw/zinc/88/40/73/653884073.db2.gz FPZIXCRWKFXNBG-YPMHNXCESA-N 1 2 381.933 2.166 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896551368 653885019 /nfs/dbraw/zinc/88/50/19/653885019.db2.gz YOJOJQZQFYDPPV-KEYYUXOJSA-N 1 2 382.346 2.378 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896551368 653885020 /nfs/dbraw/zinc/88/50/20/653885020.db2.gz YOJOJQZQFYDPPV-KEYYUXOJSA-N 1 2 382.346 2.378 20 0 GEADLO COC[C@@]1(C)NC(=O)N(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000793793816 653885300 /nfs/dbraw/zinc/88/53/00/653885300.db2.gz WEWNPODHOXBFHW-WMLDXEAASA-N 1 2 383.901 2.421 20 0 GEADLO COC[C@@]1(C)NC(=O)N(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000793793816 653885305 /nfs/dbraw/zinc/88/53/05/653885305.db2.gz WEWNPODHOXBFHW-WMLDXEAASA-N 1 2 383.901 2.421 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3ccnc(Cl)c3F)C2)cc1 ZINC000824176563 653887490 /nfs/dbraw/zinc/88/74/90/653887490.db2.gz OPNJFOJFJPETJJ-UHFFFAOYSA-N 1 2 385.848 2.045 20 0 GEADLO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1nc(Br)ccc1O ZINC000793942620 653889368 /nfs/dbraw/zinc/88/93/68/653889368.db2.gz RUEADFCYKWYDOO-UHFFFAOYSA-N 1 2 391.229 2.338 20 0 GEADLO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1ncc(Br)cc1O ZINC000896811956 653895406 /nfs/dbraw/zinc/89/54/06/653895406.db2.gz QQQNVCBAJIMFGK-UHFFFAOYSA-N 1 2 385.283 2.286 20 0 GEADLO Cc1[nH]c(CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)[nH+]c1C ZINC000896922503 653899698 /nfs/dbraw/zinc/89/96/98/653899698.db2.gz RPMDBQAIXILCEX-GFCCVEGCSA-N 1 2 391.269 2.458 20 0 GEADLO Cc1[nH]c(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)[nH+]c1C ZINC000896927494 653899729 /nfs/dbraw/zinc/89/97/29/653899729.db2.gz MZSBYLLSUBNNQA-GFCCVEGCSA-N 1 2 391.269 2.458 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)o1 ZINC000896946345 653900091 /nfs/dbraw/zinc/90/00/91/653900091.db2.gz RSXIEKWHCGNZRW-UHFFFAOYSA-N 1 2 381.523 2.327 20 0 GEADLO C[NH+](C)C[C@H](NS(=O)(=O)N=S1(=O)CCCC1)c1ccc(Cl)cc1 ZINC000867240524 653901472 /nfs/dbraw/zinc/90/14/72/653901472.db2.gz GUDOSFQLLYHMHZ-AWEZNQCLSA-N 1 2 379.935 2.039 20 0 GEADLO C[N@@H+](Cc1cc(O)ccc1Br)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824565438 653901824 /nfs/dbraw/zinc/90/18/24/653901824.db2.gz VMMQMLFRLCYLAD-ZDUSSCGKSA-N 1 2 389.290 2.472 20 0 GEADLO C[N@H+](Cc1cc(O)ccc1Br)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824565438 653901825 /nfs/dbraw/zinc/90/18/25/653901825.db2.gz VMMQMLFRLCYLAD-ZDUSSCGKSA-N 1 2 389.290 2.472 20 0 GEADLO Brc1cnc2c(C[NH2+]Cc3nc4c(s3)COCC4)cnn2c1 ZINC000897239472 653912255 /nfs/dbraw/zinc/91/22/55/653912255.db2.gz GBDWVISXFCIWRM-UHFFFAOYSA-N 1 2 380.271 2.311 20 0 GEADLO O=C(Nc1cc(Br)cc(Cl)c1O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897253881 653912606 /nfs/dbraw/zinc/91/26/06/653912606.db2.gz LIKKRADJXBGMCU-SNVBAGLBSA-N 1 2 375.650 2.467 20 0 GEADLO C[C@H](CNC(=O)CSC(=S)N1CCC(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179390 653919420 /nfs/dbraw/zinc/91/94/20/653919420.db2.gz CBFQGJSHUJLPGV-OAGGEKHMSA-N 1 2 387.615 2.350 20 0 GEADLO C[C@H](CNC(=O)CSC(=S)N1CCC(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179390 653919427 /nfs/dbraw/zinc/91/94/27/653919427.db2.gz CBFQGJSHUJLPGV-OAGGEKHMSA-N 1 2 387.615 2.350 20 0 GEADLO CCN(CC)C(=O)C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794803117 653920982 /nfs/dbraw/zinc/92/09/82/653920982.db2.gz PQGMSDHQBCJVOA-SECBINFHSA-N 1 2 382.313 2.160 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000847490736 653931111 /nfs/dbraw/zinc/93/11/11/653931111.db2.gz AVMCBITZFDCLIT-UHFFFAOYSA-N 1 2 375.372 2.387 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@H]1CCn2c[nH+]cc21 ZINC000825513441 653932048 /nfs/dbraw/zinc/93/20/48/653932048.db2.gz UDJOMTPHTWHFQU-JQWIXIFHSA-N 1 2 375.226 2.333 20 0 GEADLO COc1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc(I)c1OC ZINC000897684422 653932938 /nfs/dbraw/zinc/93/29/38/653932938.db2.gz OISHTFQVMZPOJT-JOYOIKCWSA-N 1 2 377.222 2.121 20 0 GEADLO Cc1ccc2[nH]c(C(=O)N[C@H](CO)c3c[nH+]cn3C)cc2c1Br ZINC000825531036 653932564 /nfs/dbraw/zinc/93/25/64/653932564.db2.gz GXNUAPHOJQMOCC-CYBMUJFWSA-N 1 2 377.242 2.436 20 0 GEADLO COc1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)cc(I)c1OC ZINC000897684422 653932941 /nfs/dbraw/zinc/93/29/41/653932941.db2.gz OISHTFQVMZPOJT-JOYOIKCWSA-N 1 2 377.222 2.121 20 0 GEADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H](O)c2ccccc2Br)[nH]n1 ZINC000897942189 653945477 /nfs/dbraw/zinc/94/54/77/653945477.db2.gz GJKBISOCCOWJBX-HOTGVXAUSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H](O)c2ccccc2Br)[nH]n1 ZINC000897942189 653945479 /nfs/dbraw/zinc/94/54/79/653945479.db2.gz GJKBISOCCOWJBX-HOTGVXAUSA-N 1 2 393.285 2.402 20 0 GEADLO O=C(COCCc1ccc(Br)cc1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000898099522 653953583 /nfs/dbraw/zinc/95/35/83/653953583.db2.gz SGKGFFHOGYJMOD-OAHLLOKOSA-N 1 2 378.270 2.336 20 0 GEADLO CO[C@H](C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000795751306 653964862 /nfs/dbraw/zinc/96/48/62/653964862.db2.gz ONHJFPZGMPMJDQ-BDJLRTHQSA-N 1 2 384.274 2.140 20 0 GEADLO CO[C@H](C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000795751306 653964868 /nfs/dbraw/zinc/96/48/68/653964868.db2.gz ONHJFPZGMPMJDQ-BDJLRTHQSA-N 1 2 384.274 2.140 20 0 GEADLO CCOC(=O)CC(C)(C)C[N@@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000898455787 653971053 /nfs/dbraw/zinc/97/10/53/653971053.db2.gz AHISRJXXZAATLK-IUODEOHRSA-N 1 2 385.448 2.407 20 0 GEADLO CCOC(=O)CC(C)(C)C[N@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000898455787 653971056 /nfs/dbraw/zinc/97/10/56/653971056.db2.gz AHISRJXXZAATLK-IUODEOHRSA-N 1 2 385.448 2.407 20 0 GEADLO Cn1nc2c(c1C[NH2+][C@@H](CO)c1ccccc1I)CCC2 ZINC000898511526 653974874 /nfs/dbraw/zinc/97/48/74/653974874.db2.gz DJWKRWHMNRIPMP-HNNXBMFYSA-N 1 2 397.260 2.337 20 0 GEADLO CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000827316410 653985894 /nfs/dbraw/zinc/98/58/94/653985894.db2.gz AGFFCSCJZHEQBI-CYBMUJFWSA-N 1 2 380.432 2.173 20 0 GEADLO CC[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000886468710 653988386 /nfs/dbraw/zinc/98/83/86/653988386.db2.gz NRIYPMSFFUQPGG-SECBINFHSA-N 1 2 382.711 2.212 20 0 GEADLO CC[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000886468710 653988389 /nfs/dbraw/zinc/98/83/89/653988389.db2.gz NRIYPMSFFUQPGG-SECBINFHSA-N 1 2 382.711 2.212 20 0 GEADLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898882694 653990547 /nfs/dbraw/zinc/99/05/47/653990547.db2.gz AMKFUZQYBPGIKS-OAHLLOKOSA-N 1 2 391.269 2.365 20 0 GEADLO CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884450 653990673 /nfs/dbraw/zinc/99/06/73/653990673.db2.gz QVYFAKRZXCLCLF-ZDUSSCGKSA-N 1 2 382.258 2.433 20 0 GEADLO Cc1cc(Br)ccc1SCC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898882602 653990705 /nfs/dbraw/zinc/99/07/05/653990705.db2.gz YLTRSDFUBYLYLE-LBPRGKRZSA-N 1 2 384.299 2.433 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc(OC(F)F)c(Br)c1 ZINC000898896689 653991488 /nfs/dbraw/zinc/99/14/88/653991488.db2.gz QXTHZQCKNPAGAL-JTQLQIEISA-N 1 2 390.184 2.247 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901948 653991799 /nfs/dbraw/zinc/99/17/99/653991799.db2.gz QITSYGBBSUOMAY-JTQLQIEISA-N 1 2 399.314 2.377 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901949 653991930 /nfs/dbraw/zinc/99/19/30/653991930.db2.gz QITSYGBBSUOMAY-SNVBAGLBSA-N 1 2 399.314 2.377 20 0 GEADLO Cc1cn(C(C)(C)C(=O)N2CC(O)(c3cccc(Br)c3)C2)c[nH+]1 ZINC000899040978 653996697 /nfs/dbraw/zinc/99/66/97/653996697.db2.gz IWSVYZXHDFAKSR-UHFFFAOYSA-N 1 2 378.270 2.419 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cc(Cl)ccc1Br ZINC000899055561 653997154 /nfs/dbraw/zinc/99/71/54/653997154.db2.gz OVZGFOPHIRPNJE-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cc(Cl)ccc1Br ZINC000899055561 653997157 /nfs/dbraw/zinc/99/71/57/653997157.db2.gz OVZGFOPHIRPNJE-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cc2c(cccc2Br)[nH]1 ZINC000899056448 653997186 /nfs/dbraw/zinc/99/71/86/653997186.db2.gz CCZRZJXTBYUEEW-UHFFFAOYSA-N 1 2 394.269 2.109 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cc2c(cccc2Br)[nH]1 ZINC000899056448 653997189 /nfs/dbraw/zinc/99/71/89/653997189.db2.gz CCZRZJXTBYUEEW-UHFFFAOYSA-N 1 2 394.269 2.109 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1ccc(Br)c(Cl)c1 ZINC000899059708 653997494 /nfs/dbraw/zinc/99/74/94/653997494.db2.gz RSBRHNYEFYYCAK-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1ccc(Br)c(Cl)c1 ZINC000899059708 653997495 /nfs/dbraw/zinc/99/74/95/653997495.db2.gz RSBRHNYEFYYCAK-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO CCOC(=O)C1=C(C[NH2+][C@H](C)c2ccc(Br)cn2)NC(=O)N[C@H]1C ZINC000796497941 653999298 /nfs/dbraw/zinc/99/92/98/653999298.db2.gz HNVZBCJDDSNKAG-ZJUUUORDSA-N 1 2 397.273 2.013 20 0 GEADLO O=C(NC1(c2ncc(Br)cn2)CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000886836945 654004035 /nfs/dbraw/zinc/00/40/35/654004035.db2.gz WVTJHEFAYIKWMV-LLVKDONJSA-N 1 2 376.258 2.194 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000867941926 654009537 /nfs/dbraw/zinc/00/95/37/654009537.db2.gz XMBJNUCTLZHMMD-DDEZWNLPSA-N 1 2 383.261 2.449 20 0 GEADLO O=C(N1CC[NH2+][C@@H](c2cn[nH]c2)C1)C(F)(F)c1cccc(Br)c1 ZINC000827910181 654012471 /nfs/dbraw/zinc/01/24/71/654012471.db2.gz GQUMABCNWQEGHN-CYBMUJFWSA-N 1 2 385.212 2.437 20 0 GEADLO Cc1cc(I)cc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c1 ZINC000827911083 654012922 /nfs/dbraw/zinc/01/29/22/654012922.db2.gz QJFGOPPUQHLBCG-AWEZNQCLSA-N 1 2 396.232 2.109 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000828734568 654048632 /nfs/dbraw/zinc/04/86/32/654048632.db2.gz DPBZMYCFJIMCSO-SWYXATNDSA-N 1 2 377.282 2.092 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1nc(C(C)C)ncc1Br ZINC000828926732 654055016 /nfs/dbraw/zinc/05/50/16/654055016.db2.gz AFFARBSWCNKSSZ-GFCCVEGCSA-N 1 2 385.306 2.203 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1nc(C(C)C)ncc1Br ZINC000828926732 654055020 /nfs/dbraw/zinc/05/50/20/654055020.db2.gz AFFARBSWCNKSSZ-GFCCVEGCSA-N 1 2 385.306 2.203 20 0 GEADLO CCc1sc(C(=O)N[C@H](Cn2cc[nH+]c2)C(=O)OC)cc1Br ZINC000828983302 654056889 /nfs/dbraw/zinc/05/68/89/654056889.db2.gz KACOGHRWTLREGL-SNVBAGLBSA-N 1 2 386.271 2.241 20 0 GEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]nc1I ZINC000900339198 654059860 /nfs/dbraw/zinc/05/98/60/654059860.db2.gz DXZPFFZITHFFQO-SNVBAGLBSA-N 1 2 387.225 2.056 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Cc2c[nH]c3ccc(Br)cc23)CCO1 ZINC000900487140 654066765 /nfs/dbraw/zinc/06/67/65/654066765.db2.gz XDNNZIGXLLJAQB-LBPRGKRZSA-N 1 2 380.286 2.310 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Cc2c[nH]c3ccc(Br)cc23)CCO1 ZINC000900487140 654066766 /nfs/dbraw/zinc/06/67/66/654066766.db2.gz XDNNZIGXLLJAQB-LBPRGKRZSA-N 1 2 380.286 2.310 20 0 GEADLO CN(CCn1cc(Br)cn1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869109065 654069586 /nfs/dbraw/zinc/06/95/86/654069586.db2.gz RPHBMIRGNZVEKP-MRXNPFEDSA-N 1 2 392.301 2.474 20 0 GEADLO CN(CCn1cc(Br)cn1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869109065 654069587 /nfs/dbraw/zinc/06/95/87/654069587.db2.gz RPHBMIRGNZVEKP-MRXNPFEDSA-N 1 2 392.301 2.474 20 0 GEADLO O=C(NCc1ccc(Br)cn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000869116286 654069930 /nfs/dbraw/zinc/06/99/30/654069930.db2.gz CEVWOXHQZHLYGH-UHFFFAOYSA-N 1 2 376.258 2.271 20 0 GEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CN1CSCCSC1 ZINC000900778801 654080112 /nfs/dbraw/zinc/08/01/12/654080112.db2.gz OIOBSMQQOWNEKU-UHFFFAOYSA-N 1 2 381.567 2.463 20 0 GEADLO C[C@@H](NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900809899 654082141 /nfs/dbraw/zinc/08/21/41/654082141.db2.gz FIQUJIYUBWGZGY-ZWNOBZJWSA-N 1 2 378.826 2.047 20 0 GEADLO C[C@@H](NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)[C@H]1CN(C)CC[N@H+]1C ZINC000900809899 654082143 /nfs/dbraw/zinc/08/21/43/654082143.db2.gz FIQUJIYUBWGZGY-ZWNOBZJWSA-N 1 2 378.826 2.047 20 0 GEADLO O=C(c1cc(Br)cc(F)c1O)N1CCC([NH+]2CCOCC2)CC1 ZINC000869281608 654083799 /nfs/dbraw/zinc/08/37/99/654083799.db2.gz IVRDCWMIJNUGFQ-UHFFFAOYSA-N 1 2 387.249 2.231 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799120461 654084821 /nfs/dbraw/zinc/08/48/21/654084821.db2.gz LGZDCZXECVLCNA-CVEARBPZSA-N 1 2 394.313 2.323 20 0 GEADLO O=C1N[C@H]2CC[N@@H+](Cc3nnc(-c4ccc(Br)s4)o3)C[C@@H]2CO1 ZINC000799179981 654087145 /nfs/dbraw/zinc/08/71/45/654087145.db2.gz FTQAWNKKWDGNMS-BDAKNGLRSA-N 1 2 399.270 2.491 20 0 GEADLO O=C1N[C@H]2CC[N@H+](Cc3nnc(-c4ccc(Br)s4)o3)C[C@@H]2CO1 ZINC000799179981 654087148 /nfs/dbraw/zinc/08/71/48/654087148.db2.gz FTQAWNKKWDGNMS-BDAKNGLRSA-N 1 2 399.270 2.491 20 0 GEADLO Cn1ncc(Br)c1COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000869412795 654094909 /nfs/dbraw/zinc/09/49/09/654094909.db2.gz SDXDQQBERMIKQL-MRXNPFEDSA-N 1 2 394.269 2.127 20 0 GEADLO Cn1ncc(Br)c1COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000869412795 654094913 /nfs/dbraw/zinc/09/49/13/654094913.db2.gz SDXDQQBERMIKQL-MRXNPFEDSA-N 1 2 394.269 2.127 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)NCc1cc(F)c(Br)cc1F ZINC000869437195 654096692 /nfs/dbraw/zinc/09/66/92/654096692.db2.gz ROLLOEXSEYJVAC-OWOJBTEDSA-N 1 2 375.213 2.232 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000917108424 654113570 /nfs/dbraw/zinc/11/35/70/654113570.db2.gz MDCQYEFWWNKYOL-NSHDSACASA-N 1 2 375.230 2.045 20 0 GEADLO O=C(Cc1[nH]cc[nH+]1)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000830407252 654115332 /nfs/dbraw/zinc/11/53/32/654115332.db2.gz XMMASQMXBZJOMT-UHFFFAOYSA-N 1 2 381.249 2.198 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000830480187 654120823 /nfs/dbraw/zinc/12/08/23/654120823.db2.gz NRNCIDOAWKETMV-AWEZNQCLSA-N 1 2 398.301 2.180 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000830480187 654120825 /nfs/dbraw/zinc/12/08/25/654120825.db2.gz NRNCIDOAWKETMV-AWEZNQCLSA-N 1 2 398.301 2.180 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CCO1 ZINC000800125087 654130438 /nfs/dbraw/zinc/13/04/38/654130438.db2.gz AEYASKQBKMLSFD-XHDPSFHLSA-N 1 2 384.885 2.407 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CCO1 ZINC000800125087 654130444 /nfs/dbraw/zinc/13/04/44/654130444.db2.gz AEYASKQBKMLSFD-XHDPSFHLSA-N 1 2 384.885 2.407 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)[C@@H](C)CO1 ZINC000889210348 654131656 /nfs/dbraw/zinc/13/16/56/654131656.db2.gz GXCGXQRBEBXVRF-DTWKUNHWSA-N 1 2 383.802 2.323 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)[C@@H](C)CO1 ZINC000889210348 654131660 /nfs/dbraw/zinc/13/16/60/654131660.db2.gz GXCGXQRBEBXVRF-DTWKUNHWSA-N 1 2 383.802 2.323 20 0 GEADLO Cc1cccc(C[NH+]2CCN(C(=O)CSc3nc(CO)cs3)CC2)c1 ZINC000901686553 654140192 /nfs/dbraw/zinc/14/01/92/654140192.db2.gz UEZSNEZAWCNHID-UHFFFAOYSA-N 1 2 377.535 2.380 20 0 GEADLO Cn1c(Cl)nc(Cl)c1C[NH2+]CCS(=O)(=O)CCc1ccccc1 ZINC000800312070 654140357 /nfs/dbraw/zinc/14/03/57/654140357.db2.gz WPJCUBGIALDUGM-UHFFFAOYSA-N 1 2 376.309 2.474 20 0 GEADLO C[C@@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000870065397 654141936 /nfs/dbraw/zinc/14/19/36/654141936.db2.gz NOFPLABBARDNPJ-PBHICJAKSA-N 1 2 397.313 2.112 20 0 GEADLO Cc1cc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)c(C)cc1Br ZINC000870063815 654142001 /nfs/dbraw/zinc/14/20/01/654142001.db2.gz WRQMIMOFSOITEI-HNNXBMFYSA-N 1 2 397.313 2.239 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)[C@@H](O)C3CCC3)cc2Br)CC1 ZINC000830808791 654143541 /nfs/dbraw/zinc/14/35/41/654143541.db2.gz QHJBBDMIYZVYNY-INIZCTEOSA-N 1 2 382.302 2.300 20 0 GEADLO COc1cccc([C@@H]2CN(C(=O)c3[nH]nc(C)c3Br)CC[NH2+]2)c1 ZINC000870150399 654147015 /nfs/dbraw/zinc/14/70/15/654147015.db2.gz UTADGXCANAWNLI-ZDUSSCGKSA-N 1 2 379.258 2.276 20 0 GEADLO COCCO[C@@H]1CCC[N@H+](Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000800849442 654161724 /nfs/dbraw/zinc/16/17/24/654161724.db2.gz AQIBHVNLZRJPEQ-CYBMUJFWSA-N 1 2 385.258 2.442 20 0 GEADLO COCCO[C@@H]1CCC[N@@H+](Cn2c3ccc(Br)cc3oc2=O)C1 ZINC000800849442 654161731 /nfs/dbraw/zinc/16/17/31/654161731.db2.gz AQIBHVNLZRJPEQ-CYBMUJFWSA-N 1 2 385.258 2.442 20 0 GEADLO CC1(C)OC[C@@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)O1 ZINC000851744963 654174347 /nfs/dbraw/zinc/17/43/47/654174347.db2.gz STPYZFQTBLZFLB-OAHLLOKOSA-N 1 2 383.286 2.358 20 0 GEADLO Cc1cc(C)c(C(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)c(C)[nH+]1 ZINC000889817485 654180662 /nfs/dbraw/zinc/18/06/62/654180662.db2.gz WWUJVHQYSPHUCT-ZDUSSCGKSA-N 1 2 389.253 2.458 20 0 GEADLO Cc1nn2cc(S(=O)(=O)N3CC[N@@H+](C)[C@@H](C(C)(C)C)C3)cnc2c1Cl ZINC000919597435 654186406 /nfs/dbraw/zinc/18/64/06/654186406.db2.gz JEMPFFOOPXZANE-CYBMUJFWSA-N 1 2 385.921 2.042 20 0 GEADLO Cc1nn2cc(S(=O)(=O)N3CC[N@H+](C)[C@@H](C(C)(C)C)C3)cnc2c1Cl ZINC000919597435 654186407 /nfs/dbraw/zinc/18/64/07/654186407.db2.gz JEMPFFOOPXZANE-CYBMUJFWSA-N 1 2 385.921 2.042 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)c2ncccc2Br)C[C@H]1C(C)(C)C ZINC000919604551 654186779 /nfs/dbraw/zinc/18/67/79/654186779.db2.gz XOFXYXFQAGBLGL-LBPRGKRZSA-N 1 2 376.320 2.195 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)c2ncccc2Br)C[C@H]1C(C)(C)C ZINC000919604551 654186781 /nfs/dbraw/zinc/18/67/81/654186781.db2.gz XOFXYXFQAGBLGL-LBPRGKRZSA-N 1 2 376.320 2.195 20 0 GEADLO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000902625143 654189302 /nfs/dbraw/zinc/18/93/02/654189302.db2.gz WYHOUYWBMYECHQ-MRXNPFEDSA-N 1 2 393.281 2.470 20 0 GEADLO O=C1C=C(c2ccc(Br)cc2)CN1C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000902625143 654189308 /nfs/dbraw/zinc/18/93/08/654189308.db2.gz WYHOUYWBMYECHQ-MRXNPFEDSA-N 1 2 393.281 2.470 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000919990923 654198689 /nfs/dbraw/zinc/19/86/89/654198689.db2.gz SHWBCUVJIHIKDH-ONGXEEELSA-N 1 2 384.304 2.045 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000919990923 654198692 /nfs/dbraw/zinc/19/86/92/654198692.db2.gz SHWBCUVJIHIKDH-ONGXEEELSA-N 1 2 384.304 2.045 20 0 GEADLO C[C@H](NS(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@H]1C[N@H+](C)CCN1C ZINC000920002089 654199177 /nfs/dbraw/zinc/19/91/77/654199177.db2.gz ZUSRZIJHMMPIFQ-SMDDNHRTSA-N 1 2 387.958 2.467 20 0 GEADLO C[C@H](NS(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@H]1C[N@@H+](C)CCN1C ZINC000920002089 654199181 /nfs/dbraw/zinc/19/91/81/654199181.db2.gz ZUSRZIJHMMPIFQ-SMDDNHRTSA-N 1 2 387.958 2.467 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000870887818 654204117 /nfs/dbraw/zinc/20/41/17/654204117.db2.gz GWJATQDZJGJQEE-GFCCVEGCSA-N 1 2 393.285 2.480 20 0 GEADLO O=C(CCn1cc[nH+]c1)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000870890177 654205159 /nfs/dbraw/zinc/20/51/59/654205159.db2.gz IKLGVRBGXOLOIO-ZDUSSCGKSA-N 1 2 393.285 2.493 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335426 654233065 /nfs/dbraw/zinc/23/30/65/654233065.db2.gz GEKOEKNYZMEBPZ-XRNSZHNASA-N 1 2 380.124 2.481 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335426 654233069 /nfs/dbraw/zinc/23/30/69/654233069.db2.gz GEKOEKNYZMEBPZ-XRNSZHNASA-N 1 2 380.124 2.481 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920257676 654206344 /nfs/dbraw/zinc/20/63/44/654206344.db2.gz HCCRWVOQKHWABE-LLVKDONJSA-N 1 2 388.295 2.141 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000831805452 654211295 /nfs/dbraw/zinc/21/12/95/654211295.db2.gz XYZDAFZGFVGRRQ-CQSZACIVSA-N 1 2 388.917 2.058 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000831805452 654211297 /nfs/dbraw/zinc/21/12/97/654211297.db2.gz XYZDAFZGFVGRRQ-CQSZACIVSA-N 1 2 388.917 2.058 20 0 GEADLO C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000870943840 654211502 /nfs/dbraw/zinc/21/15/02/654211502.db2.gz WZEFPZSCJIDFPM-KBXCAEBGSA-N 1 2 392.297 2.318 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000870944094 654212061 /nfs/dbraw/zinc/21/20/61/654212061.db2.gz BEKZQINPGFZPTL-YVEFUNNKSA-N 1 2 380.286 2.461 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000870944094 654212062 /nfs/dbraw/zinc/21/20/62/654212062.db2.gz BEKZQINPGFZPTL-YVEFUNNKSA-N 1 2 380.286 2.461 20 0 GEADLO Cc1ccc(NS(=O)(=O)c2cnn(C)c2Br)c(C[NH+](C)C)c1 ZINC000903089129 654215872 /nfs/dbraw/zinc/21/58/72/654215872.db2.gz VSTBPOZMUWKKSO-UHFFFAOYSA-N 1 2 387.303 2.353 20 0 GEADLO Brc1ccc(-c2nnc(C[NH2+][C@H]3CCO[C@@]34CCOC4)[nH]2)cc1 ZINC000903125885 654218855 /nfs/dbraw/zinc/21/88/55/654218855.db2.gz PDHYRDAMCJEXKS-XJKSGUPXSA-N 1 2 379.258 2.272 20 0 GEADLO Brc1ccc(-c2n[nH]c(C[NH2+][C@H]3CCO[C@@]34CCOC4)n2)cc1 ZINC000903125885 654218861 /nfs/dbraw/zinc/21/88/61/654218861.db2.gz PDHYRDAMCJEXKS-XJKSGUPXSA-N 1 2 379.258 2.272 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852125656 654219290 /nfs/dbraw/zinc/21/92/90/654219290.db2.gz VDYYPFWYCYDRQG-HNNXBMFYSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852125656 654219296 /nfs/dbraw/zinc/21/92/96/654219296.db2.gz VDYYPFWYCYDRQG-HNNXBMFYSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)[NH+]1CCOCC1 ZINC000852126909 654219846 /nfs/dbraw/zinc/21/98/46/654219846.db2.gz IZAUCTRBIIFSQN-HWWQOWPSSA-N 1 2 390.311 2.435 20 0 GEADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1ccc(Br)cc1-n1cncn1 ZINC000802239124 654223293 /nfs/dbraw/zinc/22/32/93/654223293.db2.gz SARFYNYQGDQSNI-LBPRGKRZSA-N 1 2 383.221 2.230 20 0 GEADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1ccc(Br)cc1-n1cncn1 ZINC000802239124 654223295 /nfs/dbraw/zinc/22/32/95/654223295.db2.gz SARFYNYQGDQSNI-LBPRGKRZSA-N 1 2 383.221 2.230 20 0 GEADLO C/C(=C\C(=O)N[C@@](C)(CO)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000890631104 654234068 /nfs/dbraw/zinc/23/40/68/654234068.db2.gz ZRQRIKQNPIQXOL-MDNBWPLSSA-N 1 2 397.313 2.051 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)n1 ZINC000921093114 654235390 /nfs/dbraw/zinc/23/53/90/654235390.db2.gz KIGILUXOBXQQAT-UHFFFAOYSA-N 1 2 399.925 2.466 20 0 GEADLO CCC(=O)Nc1ccc(S(=O)(=O)NCc2nc(C[NH+](C)C)cs2)cc1 ZINC000921104930 654236263 /nfs/dbraw/zinc/23/62/63/654236263.db2.gz LWMQZRCWFJSAMM-UHFFFAOYSA-N 1 2 382.511 2.032 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852436113 654239589 /nfs/dbraw/zinc/23/95/89/654239589.db2.gz VNSVRBAHBPGEHB-SMDDNHRTSA-N 1 2 382.258 2.303 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852436113 654239591 /nfs/dbraw/zinc/23/95/91/654239591.db2.gz VNSVRBAHBPGEHB-SMDDNHRTSA-N 1 2 382.258 2.303 20 0 GEADLO O=S(=O)(c1cnc2n1CCCC2)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000903497754 654242096 /nfs/dbraw/zinc/24/20/96/654242096.db2.gz OQJMDKOABQRXOL-HNNXBMFYSA-N 1 2 380.901 2.208 20 0 GEADLO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921321552 654247025 /nfs/dbraw/zinc/24/70/25/654247025.db2.gz GQSFQKDYBYCIQK-CVEARBPZSA-N 1 2 386.587 2.014 20 0 GEADLO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921321552 654247033 /nfs/dbraw/zinc/24/70/33/654247033.db2.gz GQSFQKDYBYCIQK-CVEARBPZSA-N 1 2 386.587 2.014 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921323960 654248456 /nfs/dbraw/zinc/24/84/56/654248456.db2.gz QGMGQISTBMZMCD-STQMWFEESA-N 1 2 376.931 2.207 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921323960 654248457 /nfs/dbraw/zinc/24/84/57/654248457.db2.gz QGMGQISTBMZMCD-STQMWFEESA-N 1 2 376.931 2.207 20 0 GEADLO CN(C)C(=O)N[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000832550880 654274466 /nfs/dbraw/zinc/27/44/66/654274466.db2.gz VIHFAZHBMCSKLC-DOMZBBRYSA-N 1 2 388.281 2.357 20 0 GEADLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000832550880 654274469 /nfs/dbraw/zinc/27/44/69/654274469.db2.gz VIHFAZHBMCSKLC-DOMZBBRYSA-N 1 2 388.281 2.357 20 0 GEADLO CN1C(=O)N(C[C@@H]2CN(C)CC[N@@H+]2C)C(=O)[C@H]1c1cccc(Cl)c1Cl ZINC000853086166 654278693 /nfs/dbraw/zinc/27/86/93/654278693.db2.gz FXLUFKRHDFXCHC-XHDPSFHLSA-N 1 2 385.295 2.174 20 0 GEADLO CN1C(=O)N(C[C@@H]2CN(C)CC[N@H+]2C)C(=O)[C@H]1c1cccc(Cl)c1Cl ZINC000853086166 654278698 /nfs/dbraw/zinc/27/86/98/654278698.db2.gz FXLUFKRHDFXCHC-XHDPSFHLSA-N 1 2 385.295 2.174 20 0 GEADLO C[C@@H](CC(=O)N[C@H](CO)c1ccccc1I)n1cc[nH+]c1 ZINC000891321811 654283905 /nfs/dbraw/zinc/28/39/05/654283905.db2.gz KDKOUSUZCWQGQA-SMDDNHRTSA-N 1 2 399.232 2.289 20 0 GEADLO O=C(c1cccc[n+]1[O-])N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804269452 654304401 /nfs/dbraw/zinc/30/44/01/654304401.db2.gz WYFQKJIOEDKWLH-UHFFFAOYSA-N 1 2 391.225 2.215 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000853585172 654306793 /nfs/dbraw/zinc/30/67/93/654306793.db2.gz VTRIBTIWXDIRHX-GFCCVEGCSA-N 1 2 397.273 2.002 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000853585172 654306798 /nfs/dbraw/zinc/30/67/98/654306798.db2.gz VTRIBTIWXDIRHX-GFCCVEGCSA-N 1 2 397.273 2.002 20 0 GEADLO Cn1c[nH+]cc1CCN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000853648401 654312801 /nfs/dbraw/zinc/31/28/01/654312801.db2.gz LSXFWNKKDFBKKK-MRXNPFEDSA-N 1 2 377.242 2.192 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(c2cc(Br)cnc2Br)[C@H](C)C1 ZINC000804624108 654315500 /nfs/dbraw/zinc/31/55/00/654315500.db2.gz JYGADDLVYHRUDZ-NXEZZACHSA-N 1 2 393.123 2.498 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(c2cc(Br)cnc2Br)[C@H](C)C1 ZINC000804624108 654315495 /nfs/dbraw/zinc/31/54/95/654315495.db2.gz JYGADDLVYHRUDZ-NXEZZACHSA-N 1 2 393.123 2.498 20 0 GEADLO CCOC(=O)c1ncc(Br)c(NCCCNc2cccc[nH+]2)n1 ZINC000891870850 654316253 /nfs/dbraw/zinc/31/62/53/654316253.db2.gz SXZYFIBGKPQSOC-UHFFFAOYSA-N 1 2 380.246 2.147 20 0 GEADLO Brc1cccc(-n2ncc3c2nc[nH+]c3NC[C@H]2COCCO2)c1 ZINC000891919503 654318247 /nfs/dbraw/zinc/31/82/47/654318247.db2.gz ZBURWECMSFYSEA-ZDUSSCGKSA-N 1 2 390.241 2.405 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2csc(C(F)(F)F)n2)CC1 ZINC000892185926 654332835 /nfs/dbraw/zinc/33/28/35/654332835.db2.gz SSRYRUGHBZOOHH-GFCCVEGCSA-N 1 2 376.448 2.290 20 0 GEADLO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000872434195 654334172 /nfs/dbraw/zinc/33/41/72/654334172.db2.gz INALOXOSIRWLLU-DEOSSOPVSA-N 1 2 384.527 2.162 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCSCc2ccnc(Cl)c2)[C@H](C)CO1 ZINC000853985871 654334945 /nfs/dbraw/zinc/33/49/45/654334945.db2.gz QZJZUQNMMDYMSC-ZIAGYGMSSA-N 1 2 386.949 2.377 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCSCc2ccnc(Cl)c2)[C@H](C)CO1 ZINC000853985871 654334951 /nfs/dbraw/zinc/33/49/51/654334951.db2.gz QZJZUQNMMDYMSC-ZIAGYGMSSA-N 1 2 386.949 2.377 20 0 GEADLO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000872440705 654336455 /nfs/dbraw/zinc/33/64/55/654336455.db2.gz WFIJVDJHSBRZML-DEOSSOPVSA-N 1 2 388.490 2.242 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnn(C(C)(C)C)c1Br ZINC000834708880 654344751 /nfs/dbraw/zinc/34/47/51/654344751.db2.gz DAVBXTNHHAXBGF-LBPRGKRZSA-N 1 2 387.322 2.193 20 0 GEADLO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1nc(Br)cs1 ZINC000834726502 654345480 /nfs/dbraw/zinc/34/54/80/654345480.db2.gz RGHQNRHDERYYIQ-ATZCPNFKSA-N 1 2 384.303 2.484 20 0 GEADLO CC(C)(C)n1ncc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1Br ZINC000854250833 654346513 /nfs/dbraw/zinc/34/65/13/654346513.db2.gz UKMPDEOYBUKTNG-CYBMUJFWSA-N 1 2 399.333 2.337 20 0 GEADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000872475021 654349419 /nfs/dbraw/zinc/34/94/19/654349419.db2.gz IQZCNLWWRVCNKF-LLVKDONJSA-N 1 2 380.432 2.229 20 0 GEADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000872475021 654349423 /nfs/dbraw/zinc/34/94/23/654349423.db2.gz IQZCNLWWRVCNKF-LLVKDONJSA-N 1 2 380.432 2.229 20 0 GEADLO Oc1cc(Br)cnc1CNC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000892553892 654350949 /nfs/dbraw/zinc/35/09/49/654350949.db2.gz VAAZVQMEFSMEDC-MRXNPFEDSA-N 1 2 392.297 2.059 20 0 GEADLO Oc1cc(Br)cnc1CNC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000892553892 654350953 /nfs/dbraw/zinc/35/09/53/654350953.db2.gz VAAZVQMEFSMEDC-MRXNPFEDSA-N 1 2 392.297 2.059 20 0 GEADLO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]C[C@H](O)C(F)(F)F)sc2C1 ZINC000835035441 654358356 /nfs/dbraw/zinc/35/83/56/654358356.db2.gz ISCDZNDRLOVSIJ-NSHDSACASA-N 1 2 381.420 2.449 20 0 GEADLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000922046849 654359654 /nfs/dbraw/zinc/35/96/54/654359654.db2.gz VYNHBCKPUZAVQG-QMMMGPOBSA-N 1 2 396.127 2.384 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cnn(C(C)(C)C)c1Br ZINC000854425226 654360315 /nfs/dbraw/zinc/36/03/15/654360315.db2.gz ZKRYHFIGTMEMCT-QWHCGFSZSA-N 1 2 399.333 2.336 20 0 GEADLO CSc1ccc(OC[C@H](O)C[NH2+]Cc2ncc(Br)cn2)cc1 ZINC000905666544 654373275 /nfs/dbraw/zinc/37/32/75/654373275.db2.gz AYLYFEZXILTRHG-GFCCVEGCSA-N 1 2 384.299 2.491 20 0 GEADLO CC(C)(C)n1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c(Br)n1 ZINC000854726714 654379617 /nfs/dbraw/zinc/37/96/17/654379617.db2.gz GZZAGAZLBAYNCI-ZDUSSCGKSA-N 1 2 399.333 2.337 20 0 GEADLO O=C1COc2ccccc2N1CCC[NH2+]Cc1ncc(Br)cc1O ZINC000893093109 654381728 /nfs/dbraw/zinc/38/17/28/654381728.db2.gz UYYWHWOBUFJYBJ-UHFFFAOYSA-N 1 2 392.253 2.455 20 0 GEADLO CC(C)(C)n1ncc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1Br ZINC000854941258 654390650 /nfs/dbraw/zinc/39/06/50/654390650.db2.gz XJXKHUKPCIDBLT-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO CC[C@@](O)(C[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1)C(F)(F)F ZINC000905927203 654391533 /nfs/dbraw/zinc/39/15/33/654391533.db2.gz ZGVSTNKNTUREQS-OAHLLOKOSA-N 1 2 380.432 2.086 20 0 GEADLO CC[C@@](O)(C[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1)C(F)(F)F ZINC000905927203 654391535 /nfs/dbraw/zinc/39/15/35/654391535.db2.gz ZGVSTNKNTUREQS-OAHLLOKOSA-N 1 2 380.432 2.086 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000872826805 654399033 /nfs/dbraw/zinc/39/90/33/654399033.db2.gz CKQOJWMWGYPTQD-SNVBAGLBSA-N 1 2 380.798 2.274 20 0 GEADLO CCOc1ccc([C@@]2(C(=O)N3CC[NH+](CCO)CC3)CC2(Cl)Cl)cc1 ZINC000906043796 654407816 /nfs/dbraw/zinc/40/78/16/654407816.db2.gz DGVKVNSAQILXJX-QGZVFWFLSA-N 1 2 387.307 2.037 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)Nc1c[nH+]ccc1N1CCCC1)c1ccccc1 ZINC000906065129 654412501 /nfs/dbraw/zinc/41/25/01/654412501.db2.gz BRUUCJKUYIYVKL-XMMPIXPASA-N 1 2 380.495 2.495 20 0 GEADLO Cn1cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(I)n1 ZINC000894065226 654443488 /nfs/dbraw/zinc/44/34/88/654443488.db2.gz QIWNSBUWONQOGW-SNVBAGLBSA-N 1 2 391.253 2.188 20 0 GEADLO Cn1cc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(I)n1 ZINC000894065226 654443496 /nfs/dbraw/zinc/44/34/96/654443496.db2.gz QIWNSBUWONQOGW-SNVBAGLBSA-N 1 2 391.253 2.188 20 0 GEADLO Cn1cc(C[NH2+]Cc2cccc3c2OCCO3)c(I)n1 ZINC000894137685 654449776 /nfs/dbraw/zinc/44/97/76/654449776.db2.gz RXUOPRNVQCTNGI-UHFFFAOYSA-N 1 2 385.205 2.086 20 0 GEADLO COC(=O)N(C)CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000855939694 654449795 /nfs/dbraw/zinc/44/97/95/654449795.db2.gz BCWKYGDOQTUVCJ-OAHLLOKOSA-N 1 2 398.301 2.400 20 0 GEADLO NC(=O)[C@H]([NH2+][C@H]1CCC2(C[C@H]1F)OCCO2)c1cccc(Br)c1 ZINC000894150646 654450797 /nfs/dbraw/zinc/45/07/97/654450797.db2.gz DJEOETJNZJYCJW-HZSPNIEDSA-N 1 2 387.249 2.199 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H](O)[C@@H](F)C3)[nH+]c12 ZINC000894167206 654452317 /nfs/dbraw/zinc/45/23/17/654452317.db2.gz MTDSMAZLIRYXAT-KBPBESRZSA-N 1 2 399.264 2.062 20 0 GEADLO O=C(Nc1nnc(-c2ccsc2)s1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000894230855 654457815 /nfs/dbraw/zinc/45/78/15/654457815.db2.gz FTRSFSTYYHMUTK-OLZOCXBDSA-N 1 2 380.495 2.085 20 0 GEADLO C[C@@H](CNC(=O)Cc1cc(Br)ccc1Cl)[NH+]1CCN(C)CC1 ZINC000906684227 654459818 /nfs/dbraw/zinc/45/98/18/654459818.db2.gz YVFCVJGUKXKWJB-LBPRGKRZSA-N 1 2 388.737 2.397 20 0 GEADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCC2SCCS2)c1 ZINC000856166403 654467611 /nfs/dbraw/zinc/46/76/11/654467611.db2.gz WNLGSMCZCJNKBI-UHFFFAOYSA-N 1 2 376.507 2.448 20 0 GEADLO Cn1nc(Br)nc1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000894358995 654469333 /nfs/dbraw/zinc/46/93/33/654469333.db2.gz LKBWZKCRQHBNFH-RISCZKNCSA-N 1 2 398.692 2.293 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ncc(Br)cc2O)C1 ZINC000894406122 654473186 /nfs/dbraw/zinc/47/31/86/654473186.db2.gz NJXMGEDNOOMGQK-GFCCVEGCSA-N 1 2 383.164 2.477 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(Br)cc2O)C1 ZINC000894406122 654473187 /nfs/dbraw/zinc/47/31/87/654473187.db2.gz NJXMGEDNOOMGQK-GFCCVEGCSA-N 1 2 383.164 2.477 20 0 GEADLO C[C@H]1CN(c2ccc(NCc3nc(Br)nn3C)c[nH+]2)C[C@H](C)O1 ZINC000894413561 654473487 /nfs/dbraw/zinc/47/34/87/654473487.db2.gz SZTURVWNWHRQPA-QWRGUYRKSA-N 1 2 381.278 2.198 20 0 GEADLO Cn1ncc(I)c1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000894445580 654476383 /nfs/dbraw/zinc/47/63/83/654476383.db2.gz QVJIXRXDYCGWHM-LBPRGKRZSA-N 1 2 375.254 2.273 20 0 GEADLO Nc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc(Br)n1 ZINC000873898735 654479114 /nfs/dbraw/zinc/47/91/14/654479114.db2.gz BUBWOZDYOBEDPW-UHFFFAOYSA-N 1 2 376.258 2.352 20 0 GEADLO Cc1ccc(C[NH2+]Cc2nc(Br)nn2C)c(-n2cc(Cl)cn2)n1 ZINC000894531670 654483417 /nfs/dbraw/zinc/48/34/17/654483417.db2.gz CIBIMEQHLCXYQE-UHFFFAOYSA-N 1 2 396.680 2.410 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000894666887 654493378 /nfs/dbraw/zinc/49/33/78/654493378.db2.gz KNBBYOPMRPBOHS-QWHCGFSZSA-N 1 2 384.489 2.434 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000894666887 654493384 /nfs/dbraw/zinc/49/33/84/654493384.db2.gz KNBBYOPMRPBOHS-QWHCGFSZSA-N 1 2 384.489 2.434 20 0 GEADLO CO[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000906975015 654494790 /nfs/dbraw/zinc/49/47/90/654494790.db2.gz JLUDFRRUDDFLOP-FZMZJTMJSA-N 1 2 389.315 2.131 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNc1ncnc2c1c(Br)nn2C(C)(C)C ZINC000894761150 654497724 /nfs/dbraw/zinc/49/77/24/654497724.db2.gz RYESGNFQLDZGOT-SNVBAGLBSA-N 1 2 383.294 2.086 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNc1ncnc2c1c(Br)nn2C(C)(C)C ZINC000894761150 654497729 /nfs/dbraw/zinc/49/77/29/654497729.db2.gz RYESGNFQLDZGOT-SNVBAGLBSA-N 1 2 383.294 2.086 20 0 GEADLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894878145 654503680 /nfs/dbraw/zinc/50/36/80/654503680.db2.gz SPZPLBZVIDVCQC-LBPRGKRZSA-N 1 2 388.921 2.296 20 0 GEADLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894878145 654503681 /nfs/dbraw/zinc/50/36/81/654503681.db2.gz SPZPLBZVIDVCQC-LBPRGKRZSA-N 1 2 388.921 2.296 20 0 GEADLO Cn1nc(Br)nc1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000894915601 654505071 /nfs/dbraw/zinc/50/50/71/654505071.db2.gz DUFCFTAPRIOOCI-NQBHXWOUSA-N 1 2 383.294 2.061 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)[C@@H]2CCc3cc(Br)ccc3C2)c1 ZINC000907239895 654522723 /nfs/dbraw/zinc/52/27/23/654522723.db2.gz WNSNZEOKHCYAOW-MRXNPFEDSA-N 1 2 398.326 2.202 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)n1 ZINC000924776262 654524326 /nfs/dbraw/zinc/52/43/26/654524326.db2.gz CTOLCOCLSMJFOX-CYBMUJFWSA-N 1 2 380.436 2.050 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NC[C@H](CO)c2ccc(Cl)cc2)n1 ZINC000924780653 654524618 /nfs/dbraw/zinc/52/46/18/654524618.db2.gz LNIVBZHILWWGRD-CYBMUJFWSA-N 1 2 382.917 2.433 20 0 GEADLO COC(=O)c1cnc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000924961861 654529521 /nfs/dbraw/zinc/52/95/21/654529521.db2.gz XAGNRJIJCGVSPD-UHFFFAOYSA-N 1 2 380.495 2.019 20 0 GEADLO O=S(=O)(C[C@@H](O)C[NH2+][C@H]1COCc2cccc(Cl)c21)c1cccs1 ZINC000925604794 654546708 /nfs/dbraw/zinc/54/67/08/654546708.db2.gz BMBZEOCMBWUWNB-JSGCOSHPSA-N 1 2 387.910 2.397 20 0 GEADLO C[C@H]1COC[C@@H]1NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000926014291 654556180 /nfs/dbraw/zinc/55/61/80/654556180.db2.gz MVFVGCRJPIBSSU-JSGCOSHPSA-N 1 2 397.273 2.485 20 0 GEADLO CCn1nc(C)c([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000926371199 654569579 /nfs/dbraw/zinc/56/95/79/654569579.db2.gz XFRNFNHABUKJKB-SNVBAGLBSA-N 1 2 389.884 2.028 20 0 GEADLO CS(=O)(=O)C[C@H](O)C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000927027594 654589836 /nfs/dbraw/zinc/58/98/36/654589836.db2.gz GKQTVOZFYHZQRE-HIFRSBDPSA-N 1 2 388.283 2.127 20 0 GEADLO COc1cccc([C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c2ccccc2Cl)c1 ZINC000927035609 654590561 /nfs/dbraw/zinc/59/05/61/654590561.db2.gz ZWTODZMNYRKSCE-KSSFIOAISA-N 1 2 383.897 2.433 20 0 GEADLO CS(=O)(=O)C1CCC(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000927363136 654600061 /nfs/dbraw/zinc/60/00/61/654600061.db2.gz QMCMSVYOYISTCM-BPCQOVAHSA-N 1 2 381.420 2.096 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2cn(-c3cccc(Cl)c3)nn2)n1 ZINC000927766887 654613084 /nfs/dbraw/zinc/61/30/84/654613084.db2.gz MRGKVHBCJFYOTL-UHFFFAOYSA-N 1 2 376.873 2.369 20 0 GEADLO CC(C)S(=O)(=O)c1ccc(C(=O)NCc2nc(C[NH+](C)C)cs2)cc1 ZINC000927770845 654613337 /nfs/dbraw/zinc/61/33/37/654613337.db2.gz ARIZVXBESSEKNR-UHFFFAOYSA-N 1 2 381.523 2.317 20 0 GEADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928357972 654642805 /nfs/dbraw/zinc/64/28/05/654642805.db2.gz LASVHILOLCCXNB-SMDDNHRTSA-N 1 2 376.258 2.362 20 0 GEADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928357967 654642873 /nfs/dbraw/zinc/64/28/73/654642873.db2.gz LASVHILOLCCXNB-BXUZGUMPSA-N 1 2 376.258 2.362 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000928639420 654653845 /nfs/dbraw/zinc/65/38/45/654653845.db2.gz KTDLPBZJRCAKEV-CYBMUJFWSA-N 1 2 385.295 2.411 20 0 GEADLO Cc1nnc(CC[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)o1 ZINC000929430756 654683848 /nfs/dbraw/zinc/68/38/48/654683848.db2.gz HBFUVONVNMERCG-UHFFFAOYSA-N 1 2 390.918 2.032 20 0 GEADLO Cc1nnc(CC[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)o1 ZINC000929430756 654683849 /nfs/dbraw/zinc/68/38/49/654683849.db2.gz HBFUVONVNMERCG-UHFFFAOYSA-N 1 2 390.918 2.032 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000929469056 654685177 /nfs/dbraw/zinc/68/51/77/654685177.db2.gz HTQGXOOHCGBETE-MRXNPFEDSA-N 1 2 383.286 2.012 20 0 GEADLO COc1ccc(C[N@H+](CCO)Cc2ccc(Br)nc2N)c(OC)c1 ZINC000929623206 654688965 /nfs/dbraw/zinc/68/89/65/654688965.db2.gz HRGHHPVDEYDTNV-UHFFFAOYSA-N 1 2 396.285 2.438 20 0 GEADLO COc1ccc(C[N@@H+](CCO)Cc2ccc(Br)nc2N)c(OC)c1 ZINC000929623206 654688969 /nfs/dbraw/zinc/68/89/69/654688969.db2.gz HRGHHPVDEYDTNV-UHFFFAOYSA-N 1 2 396.285 2.438 20 0 GEADLO Cc1nnsc1[C@@H](C)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000930159189 654700738 /nfs/dbraw/zinc/70/07/38/654700738.db2.gz SWULDLRIXYPIKD-CYBMUJFWSA-N 1 2 381.527 2.101 20 0 GEADLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c1 ZINC000930213746 654702054 /nfs/dbraw/zinc/70/20/54/654702054.db2.gz OZNUBNATRSRDGF-JTQLQIEISA-N 1 2 376.404 2.198 20 0 GEADLO CCS[C@H]1CCC[C@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000930439244 654710347 /nfs/dbraw/zinc/71/03/47/654710347.db2.gz IKUDRHZHPMHLDJ-JSGCOSHPSA-N 1 2 384.571 2.001 20 0 GEADLO Nc1nc(Br)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000930518838 654712076 /nfs/dbraw/zinc/71/20/76/654712076.db2.gz DWNKEDVOAALRDT-VIFPVBQESA-N 1 2 395.223 2.317 20 0 GEADLO Nc1nc(Br)ccc1C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000930518838 654712081 /nfs/dbraw/zinc/71/20/81/654712081.db2.gz DWNKEDVOAALRDT-VIFPVBQESA-N 1 2 395.223 2.317 20 0 GEADLO COC(=O)c1ccc(Br)c(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000930967332 654725003 /nfs/dbraw/zinc/72/50/03/654725003.db2.gz VTAXWVGMJSSFTM-CYBMUJFWSA-N 1 2 383.242 2.262 20 0 GEADLO COC(=O)c1ccc(Br)c(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000930967332 654725006 /nfs/dbraw/zinc/72/50/06/654725006.db2.gz VTAXWVGMJSSFTM-CYBMUJFWSA-N 1 2 383.242 2.262 20 0 GEADLO CCOC(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2ccc(Br)nc2N)C1 ZINC000931011933 654726284 /nfs/dbraw/zinc/72/62/84/654726284.db2.gz FIZOHPSJULHXIC-JTQLQIEISA-N 1 2 394.273 2.316 20 0 GEADLO CCOC(=O)c1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccc(Br)nc2N)C1 ZINC000931011933 654726287 /nfs/dbraw/zinc/72/62/87/654726287.db2.gz FIZOHPSJULHXIC-JTQLQIEISA-N 1 2 394.273 2.316 20 0 GEADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931232576 654735388 /nfs/dbraw/zinc/73/53/88/654735388.db2.gz RHRTVHXQJGUDAH-XJKSGUPXSA-N 1 2 387.933 2.002 20 0 GEADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931232576 654735392 /nfs/dbraw/zinc/73/53/92/654735392.db2.gz RHRTVHXQJGUDAH-XJKSGUPXSA-N 1 2 387.933 2.002 20 0 GEADLO Cc1nc2c(c(=O)[nH]1)C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000931315014 654738037 /nfs/dbraw/zinc/73/80/37/654738037.db2.gz LYDALUCIHBPNPK-GFCCVEGCSA-N 1 2 398.232 2.148 20 0 GEADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000931315014 654738040 /nfs/dbraw/zinc/73/80/40/654738040.db2.gz LYDALUCIHBPNPK-GFCCVEGCSA-N 1 2 398.232 2.148 20 0 GEADLO O=C(c1cc(Br)cn2ncnc12)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000931886447 654760838 /nfs/dbraw/zinc/76/08/38/654760838.db2.gz LEAWSHZJLBWXLE-GFCCVEGCSA-N 1 2 375.230 2.166 20 0 GEADLO CC(C)(CNC(=O)c1csc(I)n1)n1cc[nH+]c1 ZINC000912615104 654760986 /nfs/dbraw/zinc/76/09/86/654760986.db2.gz WCYURQMIDIZEEJ-UHFFFAOYSA-N 1 2 376.223 2.109 20 0 GEADLO CC(C)(CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)n1cc[nH+]c1 ZINC000912615840 654761028 /nfs/dbraw/zinc/76/10/28/654761028.db2.gz RWAGWDOUKHGOEY-UHFFFAOYSA-N 1 2 378.230 2.393 20 0 GEADLO Cn1c(SCC(=O)NCC(C)(C)n2cc[nH+]c2)nnc1-c1cccs1 ZINC000912617365 654761327 /nfs/dbraw/zinc/76/13/27/654761327.db2.gz RNNKVLZJSMFINK-UHFFFAOYSA-N 1 2 376.511 2.384 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCc2ccc(Br)c(F)c2C1 ZINC000932010990 654763804 /nfs/dbraw/zinc/76/38/04/654763804.db2.gz JXAKBOIFQZHEMD-YPMHNXCESA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCc2ccc(Br)c(F)c2C1 ZINC000932010990 654763806 /nfs/dbraw/zinc/76/38/06/654763806.db2.gz JXAKBOIFQZHEMD-YPMHNXCESA-N 1 2 376.266 2.359 20 0 GEADLO Cc1csc(SCc2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3CO)cc2)n1 ZINC000912748800 654766064 /nfs/dbraw/zinc/76/60/64/654766064.db2.gz GJDMUGNBQPNYPE-MRXNPFEDSA-N 1 2 377.535 2.492 20 0 GEADLO Cc1csc(SCc2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3CO)cc2)n1 ZINC000912748800 654766066 /nfs/dbraw/zinc/76/60/66/654766066.db2.gz GJDMUGNBQPNYPE-MRXNPFEDSA-N 1 2 377.535 2.492 20 0 GEADLO Cn1ccc([C@@H]2CCC[N@H+](Cc3c(I)cnn3C)C2)n1 ZINC000932132224 654767959 /nfs/dbraw/zinc/76/79/59/654767959.db2.gz IFVDPPQDIXJYPQ-LLVKDONJSA-N 1 2 385.253 2.138 20 0 GEADLO Cn1ccc([C@@H]2CCC[N@@H+](Cc3c(I)cnn3C)C2)n1 ZINC000932132224 654767963 /nfs/dbraw/zinc/76/79/63/654767963.db2.gz IFVDPPQDIXJYPQ-LLVKDONJSA-N 1 2 385.253 2.138 20 0 GEADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)Nc1n[nH]cc1I ZINC000912886767 654772944 /nfs/dbraw/zinc/77/29/44/654772944.db2.gz HMGHKDVDNBQKNQ-ZETCQYMHSA-N 1 2 399.114 2.343 20 0 GEADLO CCCCS(=O)(=O)CC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000932592987 654783093 /nfs/dbraw/zinc/78/30/93/654783093.db2.gz GUKHSECXUDSIHD-UHFFFAOYSA-N 1 2 376.588 2.069 20 0 GEADLO O[C@@H](C[N@@H+]1CCc2c(Cl)ccc(Br)c2C1)C[C@]1(O)CCOC1 ZINC000932754393 654788371 /nfs/dbraw/zinc/78/83/71/654788371.db2.gz PFPBLANASBJNPH-BDJLRTHQSA-N 1 2 390.705 2.363 20 0 GEADLO O[C@@H](C[N@H+]1CCc2c(Cl)ccc(Br)c2C1)C[C@]1(O)CCOC1 ZINC000932754393 654788373 /nfs/dbraw/zinc/78/83/73/654788373.db2.gz PFPBLANASBJNPH-BDJLRTHQSA-N 1 2 390.705 2.363 20 0 GEADLO CO[C@@H](C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)c1ccc(Br)s1 ZINC000913441461 654792031 /nfs/dbraw/zinc/79/20/31/654792031.db2.gz MELQMQIHGWMKOZ-ZWNOBZJWSA-N 1 2 385.287 2.094 20 0 GEADLO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913443298 654792228 /nfs/dbraw/zinc/79/22/28/654792228.db2.gz PGFGXGVCZAIGDJ-QMTHXVAHSA-N 1 2 397.248 2.252 20 0 GEADLO Cc1ccc(I)c(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c1 ZINC000913444975 654792241 /nfs/dbraw/zinc/79/22/41/654792241.db2.gz ILLDFPZRIUOAIJ-CQSZACIVSA-N 1 2 396.232 2.109 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913446753 654792459 /nfs/dbraw/zinc/79/24/59/654792459.db2.gz IGCUDWDMSQTRKA-SNVBAGLBSA-N 1 2 385.287 2.337 20 0 GEADLO O=C(Cc1c[nH]c2cccc(Br)c12)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913449661 654792565 /nfs/dbraw/zinc/79/25/65/654792565.db2.gz MNTKCSFMZZTVJK-HNNXBMFYSA-N 1 2 388.269 2.369 20 0 GEADLO O=C(N1CC[NH2+][C@H](c2cn[nH]c2)C1)C(F)(F)c1ccccc1Br ZINC000913453194 654792832 /nfs/dbraw/zinc/79/28/32/654792832.db2.gz KDVCFIFBZFTATD-ZDUSSCGKSA-N 1 2 385.212 2.437 20 0 GEADLO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913454366 654792871 /nfs/dbraw/zinc/79/28/71/654792871.db2.gz UWRSBIADFDLXOB-ARFHVFGLSA-N 1 2 375.270 2.449 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)[C@H]3CCc4cc(Br)ccc43)CC[NH2+]2)cn1 ZINC000913457587 654793097 /nfs/dbraw/zinc/79/30/97/654793097.db2.gz UONNEZHFDQPEAB-DLBZAZTESA-N 1 2 389.297 2.386 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3cc(Cl)ncc3Br)CC[NH2+]2)cn1 ZINC000913459360 654793334 /nfs/dbraw/zinc/79/33/34/654793334.db2.gz ACBJTBFRGQRCCL-GFCCVEGCSA-N 1 2 384.665 2.018 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)CCc3ccc(Br)cc3F)CC[NH2+]2)cn1 ZINC000913470180 654794602 /nfs/dbraw/zinc/79/46/02/654794602.db2.gz UCBVMWFNMYHHJK-MRXNPFEDSA-N 1 2 395.276 2.427 20 0 GEADLO Cc1nc(CSc2ccc(C(=O)N3CC[N@@H+](C)[C@H](CO)C3)cc2)cs1 ZINC000913553732 654797634 /nfs/dbraw/zinc/79/76/34/654797634.db2.gz OHICKNMSCPHATO-INIZCTEOSA-N 1 2 377.535 2.492 20 0 GEADLO Cc1nc(CSc2ccc(C(=O)N3CC[N@H+](C)[C@H](CO)C3)cc2)cs1 ZINC000913553732 654797641 /nfs/dbraw/zinc/79/76/41/654797641.db2.gz OHICKNMSCPHATO-INIZCTEOSA-N 1 2 377.535 2.492 20 0 GEADLO C[N@@H+](CC(=O)NCCC1=CCCCC1)C[C@@H](O)c1cc(Br)no1 ZINC000933358314 654810126 /nfs/dbraw/zinc/81/01/26/654810126.db2.gz FPGXJTDXXFJUNX-CYBMUJFWSA-N 1 2 386.290 2.409 20 0 GEADLO C[N@H+](CC(=O)NCCC1=CCCCC1)C[C@@H](O)c1cc(Br)no1 ZINC000933358314 654810128 /nfs/dbraw/zinc/81/01/28/654810128.db2.gz FPGXJTDXXFJUNX-CYBMUJFWSA-N 1 2 386.290 2.409 20 0 GEADLO O=S(=O)(Cc1ccc(F)cc1Br)NCCCn1cc[nH+]c1 ZINC000913824649 654811083 /nfs/dbraw/zinc/81/10/83/654811083.db2.gz XRBOUUXFYCOPBP-UHFFFAOYSA-N 1 2 376.251 2.294 20 0 GEADLO O=S(=O)(c1cnn(C2CCC2)c1)N1CC[NH+](CCc2cccs2)CC1 ZINC000913963560 654818857 /nfs/dbraw/zinc/81/88/57/654818857.db2.gz FCEOTMOSMYOBDI-UHFFFAOYSA-N 1 2 380.539 2.219 20 0 GEADLO O=C(c1ccc2c(Br)cnn2c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000933659250 654819186 /nfs/dbraw/zinc/81/91/86/654819186.db2.gz IWDCZDWJYKFHSV-AWEZNQCLSA-N 1 2 393.285 2.034 20 0 GEADLO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2occc2Br)CC1 ZINC000914077634 654824816 /nfs/dbraw/zinc/82/48/16/654824816.db2.gz SVESWLUCGJUXKF-UHFFFAOYSA-N 1 2 395.319 2.210 20 0 GEADLO CC[N@H+](CCC(=O)NC)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000933866035 654828698 /nfs/dbraw/zinc/82/86/98/654828698.db2.gz IWUYOOXKRDUZTQ-UHFFFAOYSA-N 1 2 381.274 2.381 20 0 GEADLO CC[N@@H+](CCC(=O)NC)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000933866035 654828700 /nfs/dbraw/zinc/82/87/00/654828700.db2.gz IWUYOOXKRDUZTQ-UHFFFAOYSA-N 1 2 381.274 2.381 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C1OCCO1)c1ccc(Br)cc1 ZINC000933909019 654829620 /nfs/dbraw/zinc/82/96/20/654829620.db2.gz YOAGNONAQUOALI-SWLSCSKDSA-N 1 2 383.286 2.464 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C1OCCO1)c1ccc(Br)cc1 ZINC000933909019 654829622 /nfs/dbraw/zinc/82/96/22/654829622.db2.gz YOAGNONAQUOALI-SWLSCSKDSA-N 1 2 383.286 2.464 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCCSC[C@@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000933918517 654829915 /nfs/dbraw/zinc/82/99/15/654829915.db2.gz TZUDVWPYZDYVRD-DLBZAZTESA-N 1 2 388.599 2.020 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCCSC[C@@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000933918517 654829918 /nfs/dbraw/zinc/82/99/18/654829918.db2.gz TZUDVWPYZDYVRD-DLBZAZTESA-N 1 2 388.599 2.020 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934368424 654846383 /nfs/dbraw/zinc/84/63/83/654846383.db2.gz FMVOULBLXGEXOB-MNOVXSKESA-N 1 2 386.294 2.211 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934368424 654846384 /nfs/dbraw/zinc/84/63/84/654846384.db2.gz FMVOULBLXGEXOB-MNOVXSKESA-N 1 2 386.294 2.211 20 0 GEADLO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000934746467 654857465 /nfs/dbraw/zinc/85/74/65/654857465.db2.gz DETLXUBYGLRGHG-VWLOTQADSA-N 1 2 381.468 2.225 20 0 GEADLO CC(C)(C)CNC(=O)C[NH2+][C@H](CO)c1ccccc1I ZINC000934826559 654861648 /nfs/dbraw/zinc/86/16/48/654861648.db2.gz NBEQFWIXCXESON-CYBMUJFWSA-N 1 2 390.265 2.077 20 0 GEADLO CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H](CO)c1ccccc1I ZINC000934829341 654862868 /nfs/dbraw/zinc/86/28/68/654862868.db2.gz MQCRZANZHLCDJD-RISCZKNCSA-N 1 2 390.265 2.075 20 0 GEADLO C[C@](O)(C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(Br)c1 ZINC000935485774 654896402 /nfs/dbraw/zinc/89/64/02/654896402.db2.gz DPQWCFMHSJUIAK-MEDUHNTESA-N 1 2 382.233 2.123 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc2cc(Br)cnc2n1C ZINC000935713387 654912128 /nfs/dbraw/zinc/91/21/28/654912128.db2.gz RFNARNLDBPBZCE-LBPRGKRZSA-N 1 2 395.301 2.129 20 0 GEADLO C[C@@H]1[C@@H](NC(=O)c2csc(Cl)n2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000989941016 654945048 /nfs/dbraw/zinc/94/50/48/654945048.db2.gz IIAJYSFDSKMDHD-DBIOUOCHSA-N 1 2 379.873 2.043 20 0 GEADLO C[C@@H]1[C@@H](NC(=O)c2csc(Cl)n2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000989941016 654945052 /nfs/dbraw/zinc/94/50/52/654945052.db2.gz IIAJYSFDSKMDHD-DBIOUOCHSA-N 1 2 379.873 2.043 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccsc1Cl ZINC000998633359 654952587 /nfs/dbraw/zinc/95/25/87/654952587.db2.gz JTYBNMDAFQBSIO-SWHYSGLUSA-N 1 2 378.885 2.239 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(Cl)cs1)C2 ZINC000999571635 654953486 /nfs/dbraw/zinc/95/34/86/654953486.db2.gz FDDQGFUORYYCEX-VWYCJHECSA-N 1 2 379.873 2.014 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cc(OC)ccc2n1 ZINC001164706774 719849027 /nfs/dbraw/zinc/84/90/27/719849027.db2.gz YKIYIYMYKGLZIH-VGSWGCGISA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)c2ccccc2n1 ZINC001164698745 719851309 /nfs/dbraw/zinc/85/13/09/719851309.db2.gz DNBDBWIYYAQGIS-HRAATJIYSA-N 1 2 384.480 2.171 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2cc(C)ccc2n1 ZINC001164701917 719856759 /nfs/dbraw/zinc/85/67/59/719856759.db2.gz MAODRAGRKIZZJM-DYESRHJHSA-N 1 2 384.480 2.171 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccoc21 ZINC001164697808 719861745 /nfs/dbraw/zinc/86/17/45/719861745.db2.gz AXXQTSJJVIPYAB-KZULUSFZSA-N 1 2 394.859 2.109 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2ncc(F)cc2n1 ZINC001164708051 719865077 /nfs/dbraw/zinc/86/50/77/719865077.db2.gz XKCDCGTWEUWQTB-QRWLVFNGSA-N 1 2 388.443 2.002 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(C)(C)C)ncn1 ZINC001164701230 719868451 /nfs/dbraw/zinc/86/84/51/719868451.db2.gz GDYSIBJQCHJFBA-YWZLYKJASA-N 1 2 376.501 2.007 20 0 GEADLO F[C@H](Oc1ccc(Cl)nc1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164829866 720398270 /nfs/dbraw/zinc/39/82/70/720398270.db2.gz ONEKRYLAJLQVMT-INIZCTEOSA-N 1 2 377.811 2.109 20 0 GEADLO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164877368 721326643 /nfs/dbraw/zinc/32/66/43/721326643.db2.gz SYZBYQYLJKLBSF-UHFFFAOYSA-N 1 2 385.806 2.137 20 0 GEADLO COC(=O)c1nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)ccc1Cl ZINC001165010879 721702046 /nfs/dbraw/zinc/70/20/46/721702046.db2.gz OGMKPTHXKIDUSI-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO COC(=O)c1nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)ccc1Cl ZINC001165010879 721702050 /nfs/dbraw/zinc/70/20/50/721702050.db2.gz OGMKPTHXKIDUSI-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO CC(C)(C)c1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164913480 721793972 /nfs/dbraw/zinc/79/39/72/721793972.db2.gz DPGMDNQQNUHNDR-QFIPXVFZSA-N 1 2 397.523 2.277 20 0 GEADLO CC(C)(C)c1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164913480 721793973 /nfs/dbraw/zinc/79/39/73/721793973.db2.gz DPGMDNQQNUHNDR-QFIPXVFZSA-N 1 2 397.523 2.277 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(-c3nc(C)no3)ccn2)CC1 ZINC001164918314 721819959 /nfs/dbraw/zinc/81/99/59/721819959.db2.gz NJWBJEFGGWGTJF-UHFFFAOYSA-N 1 2 379.468 2.386 20 0 GEADLO Cc1cnc2n1CC[N@@H+](C)C21CCN([C@H](F)Oc2ccc(Cl)nn2)CC1 ZINC001164919741 721821506 /nfs/dbraw/zinc/82/15/06/721821506.db2.gz VKZBHGVRQIULQZ-INIZCTEOSA-N 1 2 380.855 2.204 20 0 GEADLO Cc1cnc2n1CC[N@H+](C)C21CCN([C@H](F)Oc2ccc(Cl)nn2)CC1 ZINC001164919741 721821509 /nfs/dbraw/zinc/82/15/09/721821509.db2.gz VKZBHGVRQIULQZ-INIZCTEOSA-N 1 2 380.855 2.204 20 0 GEADLO CCN(CC)c1cc(N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)nc[nH+]1 ZINC001164950940 721951393 /nfs/dbraw/zinc/95/13/93/721951393.db2.gz YDSILOZNSFKCLD-ROUUACIJSA-N 1 2 386.500 2.017 20 0 GEADLO Cc1nnc(Cl)cc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944222 721971481 /nfs/dbraw/zinc/97/14/81/721971481.db2.gz HGVIJJBVTMYRCC-UHFFFAOYSA-N 1 2 385.899 2.409 20 0 GEADLO Cc1nnc(Cl)cc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944222 721971485 /nfs/dbraw/zinc/97/14/85/721971485.db2.gz HGVIJJBVTMYRCC-UHFFFAOYSA-N 1 2 385.899 2.409 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(I)c[nH]1 ZINC000152402349 531548091 /nfs/dbraw/zinc/54/80/91/531548091.db2.gz ZUTFKYHQAKLKKE-LLVKDONJSA-N 1 2 382.205 2.023 20 0 GEADLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000015547123 531567751 /nfs/dbraw/zinc/56/77/51/531567751.db2.gz PBTFRPVSUMMWGZ-OAHLLOKOSA-N 1 2 379.507 2.343 20 0 GEADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000015547123 531567760 /nfs/dbraw/zinc/56/77/60/531567760.db2.gz PBTFRPVSUMMWGZ-OAHLLOKOSA-N 1 2 379.507 2.343 20 0 GEADLO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc(Br)ccc2O)CC1 ZINC000152572517 531558696 /nfs/dbraw/zinc/55/86/96/531558696.db2.gz JXKLMXISTUAIIM-CYBMUJFWSA-N 1 2 384.318 2.158 20 0 GEADLO O=C(/C=C/c1cc(Br)c2c(c1)OCCO2)NCCn1cc[nH+]c1 ZINC000152598338 531561330 /nfs/dbraw/zinc/56/13/30/531561330.db2.gz FUUVWEZELJQZND-OWOJBTEDSA-N 1 2 378.226 2.246 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000153011181 531583617 /nfs/dbraw/zinc/58/36/17/531583617.db2.gz CLPPGHVDDRRVJP-GJZGRUSLSA-N 1 2 382.346 2.380 20 0 GEADLO O=C(Cc1cc(F)ccc1Br)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000153080283 531588437 /nfs/dbraw/zinc/58/84/37/531588437.db2.gz FHGMKHXVQWAICI-HNNXBMFYSA-N 1 2 385.277 2.454 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(I)c1)N(C)Cc1[nH+]ccn1C ZINC000153444830 531601687 /nfs/dbraw/zinc/60/16/87/531601687.db2.gz SAVIIPINQASOPR-NSHDSACASA-N 1 2 398.248 2.484 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000024243950 531603349 /nfs/dbraw/zinc/60/33/49/531603349.db2.gz OOVAWLZHYPCFLJ-GFCCVEGCSA-N 1 2 384.293 2.373 20 0 GEADLO CCCN(C(=O)[C@H](C)Sc1[nH+]cc2ccccn21)[C@H]1CCS(=O)(=O)C1 ZINC000024311272 531601857 /nfs/dbraw/zinc/60/18/57/531601857.db2.gz VUAUMLGFYOISCT-ZFWWWQNUSA-N 1 2 381.523 2.241 20 0 GEADLO CCCN(C(=O)[C@H](C)Sc1[nH+]cc2ccccn21)[C@@H]1CCS(=O)(=O)C1 ZINC000024311267 531602177 /nfs/dbraw/zinc/60/21/77/531602177.db2.gz VUAUMLGFYOISCT-DZGCQCFKSA-N 1 2 381.523 2.241 20 0 GEADLO C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000027359157 531622941 /nfs/dbraw/zinc/62/29/41/531622941.db2.gz IWPZBSSTBJENRP-NSHDSACASA-N 1 2 381.937 2.114 20 0 GEADLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000027927631 531627466 /nfs/dbraw/zinc/62/74/66/531627466.db2.gz GOQIFGUKSBAONN-UHFFFAOYSA-N 1 2 381.274 2.350 20 0 GEADLO Cc1ccc(S(=O)(=O)NCc2ccc[nH+]c2N2CCOCC2)c(Cl)c1 ZINC000028042072 531628734 /nfs/dbraw/zinc/62/87/34/531628734.db2.gz WGLQDRYYZJOWME-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000154939048 531643886 /nfs/dbraw/zinc/64/38/86/531643886.db2.gz LHBZUHLKGUKDMO-GFCCVEGCSA-N 1 2 387.311 2.101 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000041625240 531665411 /nfs/dbraw/zinc/66/54/11/531665411.db2.gz HGEIKALLYBIATA-NSHDSACASA-N 1 2 394.324 2.193 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000041625240 531665418 /nfs/dbraw/zinc/66/54/18/531665418.db2.gz HGEIKALLYBIATA-NSHDSACASA-N 1 2 394.324 2.193 20 0 GEADLO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2Br)c[nH+]1 ZINC000041637447 531666592 /nfs/dbraw/zinc/66/65/92/531666592.db2.gz YJEJUAWJBPNNQC-UHFFFAOYSA-N 1 2 377.242 2.165 20 0 GEADLO Cc1csc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCN(C)CC2)n1 ZINC000043229158 531680424 /nfs/dbraw/zinc/68/04/24/531680424.db2.gz AFPYWXMQJNBQGZ-CQSZACIVSA-N 1 2 379.555 2.301 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000155864024 531702845 /nfs/dbraw/zinc/70/28/45/531702845.db2.gz UGEBRGYGZFIYNB-JTQLQIEISA-N 1 2 391.280 2.167 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000155864024 531702849 /nfs/dbraw/zinc/70/28/49/531702849.db2.gz UGEBRGYGZFIYNB-JTQLQIEISA-N 1 2 391.280 2.167 20 0 GEADLO CC[C@H](NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)c1nccs1 ZINC000156220384 531723576 /nfs/dbraw/zinc/72/35/76/531723576.db2.gz OVHKZRAMRFTJLL-AWEZNQCLSA-N 1 2 381.523 2.360 20 0 GEADLO Cc1csc(CCNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000047742164 531720101 /nfs/dbraw/zinc/72/01/01/531720101.db2.gz SBLRHNGZTMZZLS-CQSZACIVSA-N 1 2 380.539 2.428 20 0 GEADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cnc2n(c1=O)CCS2 ZINC000051864873 531746439 /nfs/dbraw/zinc/74/64/39/531746439.db2.gz ZQDJZTNZYQLYSY-UHFFFAOYSA-N 1 2 377.495 2.044 20 0 GEADLO O=C(NCCn1cc[nH+]c1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000052902591 531753328 /nfs/dbraw/zinc/75/33/28/531753328.db2.gz LZEMOHPXMCHHJA-UHFFFAOYSA-N 1 2 376.463 2.175 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cs1 ZINC000157859884 531757906 /nfs/dbraw/zinc/75/79/06/531757906.db2.gz PAENSSBQZFNRDC-UHFFFAOYSA-N 1 2 378.519 2.500 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cs1 ZINC000157859884 531757910 /nfs/dbraw/zinc/75/79/10/531757910.db2.gz PAENSSBQZFNRDC-UHFFFAOYSA-N 1 2 378.519 2.500 20 0 GEADLO CCN(CC)C(=O)CN1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000053431014 531764302 /nfs/dbraw/zinc/76/43/02/531764302.db2.gz XNQOLZBIWWYXBQ-UHFFFAOYSA-N 1 2 398.345 2.314 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000053431014 531764309 /nfs/dbraw/zinc/76/43/09/531764309.db2.gz XNQOLZBIWWYXBQ-UHFFFAOYSA-N 1 2 398.345 2.314 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](C[C@H](O)C(F)(F)F)CC1 ZINC000158191077 531768841 /nfs/dbraw/zinc/76/88/41/531768841.db2.gz OSDITLVHPPVOMP-VIFPVBQESA-N 1 2 392.852 2.021 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](C[C@H](O)C(F)(F)F)CC1 ZINC000158191077 531768856 /nfs/dbraw/zinc/76/88/56/531768856.db2.gz OSDITLVHPPVOMP-VIFPVBQESA-N 1 2 392.852 2.021 20 0 GEADLO O=C(Nc1nccs1)C1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000054177912 531774461 /nfs/dbraw/zinc/77/44/61/531774461.db2.gz WLKTXRMOYGSCAW-UHFFFAOYSA-N 1 2 379.507 2.268 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000054506622 531779503 /nfs/dbraw/zinc/77/95/03/531779503.db2.gz RDAGOPLMKJAYGW-UHFFFAOYSA-N 1 2 384.889 2.090 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccccc2Br)C[C@H](C)O1 ZINC000055290738 531787857 /nfs/dbraw/zinc/78/78/57/531787857.db2.gz NWOBKTSQNOYEHX-BETUJISGSA-N 1 2 391.331 2.227 20 0 GEADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccccc2Br)C[C@H](C)O1 ZINC000055290738 531787861 /nfs/dbraw/zinc/78/78/61/531787861.db2.gz NWOBKTSQNOYEHX-BETUJISGSA-N 1 2 391.331 2.227 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)c1ccccc1C(F)(F)F)[NH+]1CCOCC1 ZINC000055527032 531791721 /nfs/dbraw/zinc/79/17/21/531791721.db2.gz LBBUWHFYGYSNKS-AWEZNQCLSA-N 1 2 380.432 2.341 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCc2cnc(N)nc2C1)c1ccc(Br)cc1 ZINC000623295298 531807950 /nfs/dbraw/zinc/80/79/50/531807950.db2.gz CEILIISYYIKXBJ-NSHDSACASA-N 1 2 390.285 2.057 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCc2cnc(N)nc2C1)c1ccc(Br)cc1 ZINC000623295298 531807954 /nfs/dbraw/zinc/80/79/54/531807954.db2.gz CEILIISYYIKXBJ-NSHDSACASA-N 1 2 390.285 2.057 20 0 GEADLO C[C@H](C(=O)NCCc1cccs1)S(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000058629796 531835681 /nfs/dbraw/zinc/83/56/81/531835681.db2.gz IOYTUJWMWBQBNT-CYBMUJFWSA-N 1 2 377.491 2.058 20 0 GEADLO CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000063741956 531861353 /nfs/dbraw/zinc/86/13/53/531861353.db2.gz STIQTKRHFFWNOB-UHFFFAOYSA-N 1 2 383.265 2.412 20 0 GEADLO CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000063741956 531861357 /nfs/dbraw/zinc/86/13/57/531861357.db2.gz STIQTKRHFFWNOB-UHFFFAOYSA-N 1 2 383.265 2.412 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000063759029 531861385 /nfs/dbraw/zinc/86/13/85/531861385.db2.gz KWJWYSSXBFMSTD-UHFFFAOYSA-N 1 2 384.914 2.158 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000063759029 531861396 /nfs/dbraw/zinc/86/13/96/531861396.db2.gz KWJWYSSXBFMSTD-UHFFFAOYSA-N 1 2 384.914 2.158 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)s1 ZINC000064931630 531872817 /nfs/dbraw/zinc/87/28/17/531872817.db2.gz DRZBMHAWQIQTDS-UHFFFAOYSA-N 1 2 386.461 2.332 20 0 GEADLO O=S(=O)(c1ccc(F)cc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000064931373 531873457 /nfs/dbraw/zinc/87/34/57/531873457.db2.gz LCLBYCQENBHSPJ-UHFFFAOYSA-N 1 2 384.395 2.101 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000068009626 531892160 /nfs/dbraw/zinc/89/21/60/531892160.db2.gz XDRBPCAONSSRJT-VIFPVBQESA-N 1 2 385.287 2.021 20 0 GEADLO Cn1cc[nH+]c1-c1cccc(NC(=O)CNS(=O)(=O)c2cccs2)c1 ZINC000171184824 531895728 /nfs/dbraw/zinc/89/57/28/531895728.db2.gz GTZPVQFEJWCPMS-UHFFFAOYSA-N 1 2 376.463 2.066 20 0 GEADLO COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000171235572 531898308 /nfs/dbraw/zinc/89/83/08/531898308.db2.gz NHOZHLJGODWOSF-LBPRGKRZSA-N 1 2 382.507 2.202 20 0 GEADLO COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000171235572 531898314 /nfs/dbraw/zinc/89/83/14/531898314.db2.gz NHOZHLJGODWOSF-LBPRGKRZSA-N 1 2 382.507 2.202 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Sc2ccccc2Cl)CC1 ZINC000068104454 531898550 /nfs/dbraw/zinc/89/85/50/531898550.db2.gz RKCQTYSLBLPCER-CQSZACIVSA-N 1 2 383.945 2.491 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Sc2ccccc2Cl)CC1 ZINC000068104454 531898555 /nfs/dbraw/zinc/89/85/55/531898555.db2.gz RKCQTYSLBLPCER-CQSZACIVSA-N 1 2 383.945 2.491 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000067387134 531884679 /nfs/dbraw/zinc/88/46/79/531884679.db2.gz DTJLTDHFJQLGOR-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000067387134 531884689 /nfs/dbraw/zinc/88/46/89/531884689.db2.gz DTJLTDHFJQLGOR-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO Cc1cc(OC[C@H](O)C[N@H+](C)CCS(C)(=O)=O)c(C(C)C)cc1Cl ZINC000076492811 531917490 /nfs/dbraw/zinc/91/74/90/531917490.db2.gz GUTYZBGVPNDYIA-CQSZACIVSA-N 1 2 377.934 2.488 20 0 GEADLO Cc1cc(OC[C@H](O)C[N@@H+](C)CCS(C)(=O)=O)c(C(C)C)cc1Cl ZINC000076492811 531917498 /nfs/dbraw/zinc/91/74/98/531917498.db2.gz GUTYZBGVPNDYIA-CQSZACIVSA-N 1 2 377.934 2.488 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000171861393 531922513 /nfs/dbraw/zinc/92/25/13/531922513.db2.gz AHCKYBJTJDPDPX-UHFFFAOYSA-N 1 2 381.274 2.120 20 0 GEADLO O=C(c1ccc(Br)cc1O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000094128849 531931193 /nfs/dbraw/zinc/93/11/93/531931193.db2.gz PYSHTQLEPWZKJY-AWEZNQCLSA-N 1 2 383.286 2.482 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000626208087 531928213 /nfs/dbraw/zinc/92/82/13/531928213.db2.gz UCILPKUPQCQQRY-CYBMUJFWSA-N 1 2 379.511 2.283 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000626208087 531928224 /nfs/dbraw/zinc/92/82/24/531928224.db2.gz UCILPKUPQCQQRY-CYBMUJFWSA-N 1 2 379.511 2.283 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000115837027 531958505 /nfs/dbraw/zinc/95/85/05/531958505.db2.gz RTDIYCUOBWTTRC-UHFFFAOYSA-N 1 2 396.329 2.454 20 0 GEADLO COC[C@H](C)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000117921428 531961894 /nfs/dbraw/zinc/96/18/94/531961894.db2.gz CHWLBZROSOEBRW-WFASDCNBSA-N 1 2 378.897 2.398 20 0 GEADLO COC[C@H](C)S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000117921428 531961897 /nfs/dbraw/zinc/96/18/97/531961897.db2.gz CHWLBZROSOEBRW-WFASDCNBSA-N 1 2 378.897 2.398 20 0 GEADLO CNC(=O)c1cccc(CS(=O)(=O)Cc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000113996950 531954984 /nfs/dbraw/zinc/95/49/84/531954984.db2.gz QWAHGYGHVFBHHJ-UHFFFAOYSA-N 1 2 377.853 2.462 20 0 GEADLO O=c1cc(CN2CC[NH+](Cc3ccnc(Cl)c3)CC2)nc2sccn21 ZINC000172522996 531956062 /nfs/dbraw/zinc/95/60/62/531956062.db2.gz NQYLUPFGKJZANO-UHFFFAOYSA-N 1 2 375.885 2.122 20 0 GEADLO O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172743277 531967806 /nfs/dbraw/zinc/96/78/06/531967806.db2.gz GGHYZGPUKSYMHZ-GVDBMIGSSA-N 1 2 379.298 2.486 20 0 GEADLO O=C(c1cc(I)c[nH]1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120722257 531993025 /nfs/dbraw/zinc/99/30/25/531993025.db2.gz SFODSBAKFLFDIK-LBPRGKRZSA-N 1 2 383.189 2.308 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000120349556 531981218 /nfs/dbraw/zinc/98/12/18/531981218.db2.gz CYDYIJYWDDSUKH-LBPRGKRZSA-N 1 2 382.873 2.046 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000120349556 531981226 /nfs/dbraw/zinc/98/12/26/531981226.db2.gz CYDYIJYWDDSUKH-LBPRGKRZSA-N 1 2 382.873 2.046 20 0 GEADLO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000121050462 532008694 /nfs/dbraw/zinc/00/86/94/532008694.db2.gz GKDDQIDZHQMXCS-UONOGXRCSA-N 1 2 380.794 2.095 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)cn2C(C)C)CC1 ZINC000173432294 532011789 /nfs/dbraw/zinc/01/17/89/532011789.db2.gz RXFCIHNPNCQOBE-UHFFFAOYSA-N 1 2 399.333 2.116 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)cn2C(C)C)CC1 ZINC000173432294 532011795 /nfs/dbraw/zinc/01/17/95/532011795.db2.gz RXFCIHNPNCQOBE-UHFFFAOYSA-N 1 2 399.333 2.116 20 0 GEADLO C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)Cc1ccccc1F ZINC000121111135 532013437 /nfs/dbraw/zinc/01/34/37/532013437.db2.gz BWTBOJJCEQUGML-UHFFFAOYSA-N 1 2 385.848 2.197 20 0 GEADLO C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)Cc1ccccc1F ZINC000121111135 532013442 /nfs/dbraw/zinc/01/34/42/532013442.db2.gz BWTBOJJCEQUGML-UHFFFAOYSA-N 1 2 385.848 2.197 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000173507340 532014902 /nfs/dbraw/zinc/01/49/02/532014902.db2.gz LQVDHRADPLFYEK-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000173507340 532014906 /nfs/dbraw/zinc/01/49/06/532014906.db2.gz LQVDHRADPLFYEK-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c(C)c1C ZINC000173547669 532020274 /nfs/dbraw/zinc/02/02/74/532020274.db2.gz QELIXJONWBGCIB-HNNXBMFYSA-N 1 2 387.571 2.406 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c(C)c1C ZINC000173547669 532020277 /nfs/dbraw/zinc/02/02/77/532020277.db2.gz QELIXJONWBGCIB-HNNXBMFYSA-N 1 2 387.571 2.406 20 0 GEADLO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173753805 532030340 /nfs/dbraw/zinc/03/03/40/532030340.db2.gz RKMRGVNVYZFHNU-CQSZACIVSA-N 1 2 378.416 2.191 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1SCCc2ccccc21 ZINC000173760919 532030878 /nfs/dbraw/zinc/03/08/78/532030878.db2.gz DTVXQPJVVGRHRG-PKOBYXMFSA-N 1 2 378.563 2.341 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000121563979 532035983 /nfs/dbraw/zinc/03/59/83/532035983.db2.gz ACUSZZZIPKYXPF-UHFFFAOYSA-N 1 2 375.475 2.287 20 0 GEADLO COCC[N@H+](CCc1cccc(OC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000121619239 532038220 /nfs/dbraw/zinc/03/82/20/532038220.db2.gz DZWUJMRXPHDWSY-AWEZNQCLSA-N 1 2 381.416 2.263 20 0 GEADLO COCC[N@@H+](CCc1cccc(OC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000121619239 532038226 /nfs/dbraw/zinc/03/82/26/532038226.db2.gz DZWUJMRXPHDWSY-AWEZNQCLSA-N 1 2 381.416 2.263 20 0 GEADLO Cc1nc(CSc2ccccc2C(=O)N2CC[NH+](CCO)CC2)cs1 ZINC000121850838 532049980 /nfs/dbraw/zinc/04/99/80/532049980.db2.gz LSODECXIOVCLMV-UHFFFAOYSA-N 1 2 377.535 2.494 20 0 GEADLO CC[C@@H](CO)N1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000174137965 532052133 /nfs/dbraw/zinc/05/21/33/532052133.db2.gz KTYWXHMLVRAXGR-INIZCTEOSA-N 1 2 384.318 2.166 20 0 GEADLO C[C@H]([C@H](C)NC(=O)N(C)Cc1nc(C(F)(F)F)cs1)[NH+]1CCOCC1 ZINC000174243173 532057557 /nfs/dbraw/zinc/05/75/57/532057557.db2.gz SVGIIGIGLOXRFG-WDEREUQCSA-N 1 2 380.436 2.413 20 0 GEADLO CC(C)OC(=O)[C@H](C)C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000174281131 532059499 /nfs/dbraw/zinc/05/94/99/532059499.db2.gz MHEIREJRDZYXBY-RNCFNFMXSA-N 1 2 375.238 2.292 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2sccc2Br)CC1 ZINC000174362099 532063568 /nfs/dbraw/zinc/06/35/68/532063568.db2.gz PJMTWFYXWVWXKZ-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C ZINC000122332409 532066288 /nfs/dbraw/zinc/06/62/88/532066288.db2.gz DBLHJNMHHRUVEN-WDEREUQCSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C ZINC000122332409 532066293 /nfs/dbraw/zinc/06/62/93/532066293.db2.gz DBLHJNMHHRUVEN-WDEREUQCSA-N 1 2 398.859 2.017 20 0 GEADLO CC(C)[C@@H](CNC(=O)c1cc(Br)ccc1O)[NH+]1CCN(C)CC1 ZINC000174604784 532070619 /nfs/dbraw/zinc/07/06/19/532070619.db2.gz HQJKOBXHNWXZJZ-OAHLLOKOSA-N 1 2 384.318 2.157 20 0 GEADLO CC(C)[C@@H](CNC(=O)c1cc(Br)ccc1O)N1CC[NH+](C)CC1 ZINC000174604784 532070627 /nfs/dbraw/zinc/07/06/27/532070627.db2.gz HQJKOBXHNWXZJZ-OAHLLOKOSA-N 1 2 384.318 2.157 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000122702159 532079931 /nfs/dbraw/zinc/07/99/31/532079931.db2.gz BPZZFVRMGJVXSB-OCCSQVGLSA-N 1 2 380.432 2.171 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[N@H+]1C[C@@H](C)O ZINC000122702159 532079935 /nfs/dbraw/zinc/07/99/35/532079935.db2.gz BPZZFVRMGJVXSB-OCCSQVGLSA-N 1 2 380.432 2.171 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000122738958 532081599 /nfs/dbraw/zinc/08/15/99/532081599.db2.gz FITFVCZOPKZGAD-YPMHNXCESA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000122738958 532081604 /nfs/dbraw/zinc/08/16/04/532081604.db2.gz FITFVCZOPKZGAD-YPMHNXCESA-N 1 2 381.325 2.459 20 0 GEADLO Cn1cc(N2CC[NH+](Cc3cc4c(c(Br)c3)OCO4)CC2)cn1 ZINC000174906260 532081866 /nfs/dbraw/zinc/08/18/66/532081866.db2.gz BBRXCOODFVCQDQ-UHFFFAOYSA-N 1 2 379.258 2.234 20 0 GEADLO NC(=O)NC1CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000174910267 532082297 /nfs/dbraw/zinc/08/22/97/532082297.db2.gz ZJIVSOISOASADN-UHFFFAOYSA-N 1 2 380.246 2.132 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000123261892 532096129 /nfs/dbraw/zinc/09/61/29/532096129.db2.gz WMTBGBCFFLOENU-UHFFFAOYSA-N 1 2 385.555 2.023 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000175322771 532099627 /nfs/dbraw/zinc/09/96/27/532099627.db2.gz WODMLFQVGMZTOB-NSHDSACASA-N 1 2 395.308 2.251 20 0 GEADLO C[C@H]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000123831749 532108586 /nfs/dbraw/zinc/10/85/86/532108586.db2.gz QKXVSLWKFSLOSH-XJKSGUPXSA-N 1 2 381.885 2.420 20 0 GEADLO C[C@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C[C@@H]1n1cc[nH+]c1 ZINC000123879009 532109949 /nfs/dbraw/zinc/10/99/49/532109949.db2.gz JSFHIMMIKQWLEN-RYUDHWBXSA-N 1 2 395.257 2.078 20 0 GEADLO C[C@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C[C@H]1n1cc[nH+]c1 ZINC000123879396 532110045 /nfs/dbraw/zinc/11/00/45/532110045.db2.gz JSFHIMMIKQWLEN-NWDGAFQWSA-N 1 2 395.257 2.078 20 0 GEADLO O=S(=O)(CC[N@H+]1CCCC[C@H]1CCO)c1cccc(Br)c1 ZINC000175662482 532111032 /nfs/dbraw/zinc/11/10/32/532111032.db2.gz PWJIKEWWJWUBHU-AWEZNQCLSA-N 1 2 376.316 2.460 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCCC[C@H]1CCO)c1cccc(Br)c1 ZINC000175662482 532111034 /nfs/dbraw/zinc/11/10/34/532111034.db2.gz PWJIKEWWJWUBHU-AWEZNQCLSA-N 1 2 376.316 2.460 20 0 GEADLO C[C@H](O)[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000175657260 532111228 /nfs/dbraw/zinc/11/12/28/532111228.db2.gz XONYHMFVHXOYAE-SWLSCSKDSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@H](O)[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000175657260 532111232 /nfs/dbraw/zinc/11/12/32/532111232.db2.gz XONYHMFVHXOYAE-SWLSCSKDSA-N 1 2 376.316 2.458 20 0 GEADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)c3occc3Br)CC2)cc1 ZINC000175669382 532111247 /nfs/dbraw/zinc/11/12/47/532111247.db2.gz DFBGHYCSAIOXIE-UHFFFAOYSA-N 1 2 392.253 2.099 20 0 GEADLO O=S(=O)(CC[N@H+]1CCCC[C@@H]1CCO)c1cccc(Br)c1 ZINC000175662461 532111295 /nfs/dbraw/zinc/11/12/95/532111295.db2.gz PWJIKEWWJWUBHU-CQSZACIVSA-N 1 2 376.316 2.460 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCCC[C@@H]1CCO)c1cccc(Br)c1 ZINC000175662461 532111300 /nfs/dbraw/zinc/11/13/00/532111300.db2.gz PWJIKEWWJWUBHU-CQSZACIVSA-N 1 2 376.316 2.460 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCOc3cc[nH+]cc32)cc1Br ZINC000175663599 532111462 /nfs/dbraw/zinc/11/14/62/532111462.db2.gz CFLKJQUKMVAKEB-UHFFFAOYSA-N 1 2 385.239 2.440 20 0 GEADLO CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000175936687 532120243 /nfs/dbraw/zinc/12/02/43/532120243.db2.gz YXFBEJSHOGLYOI-CYBMUJFWSA-N 1 2 380.901 2.486 20 0 GEADLO Nc1nccnc1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000124455605 532122467 /nfs/dbraw/zinc/12/24/67/532122467.db2.gz GVMYMYGZUSGXCV-UHFFFAOYSA-N 1 2 380.279 2.366 20 0 GEADLO CCOC(C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)OCC ZINC000124039121 532113218 /nfs/dbraw/zinc/11/32/18/532113218.db2.gz MBBUNJZRBUCGMQ-UHFFFAOYSA-N 1 2 396.962 2.497 20 0 GEADLO CCOC(C[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)OCC ZINC000124039121 532113221 /nfs/dbraw/zinc/11/32/21/532113221.db2.gz MBBUNJZRBUCGMQ-UHFFFAOYSA-N 1 2 396.962 2.497 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)S1 ZINC000175791227 532114971 /nfs/dbraw/zinc/11/49/71/532114971.db2.gz XDQUOUTXAINLSA-LBPRGKRZSA-N 1 2 389.493 2.292 20 0 GEADLO Cc1nc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)sc1Br ZINC000125539656 532138376 /nfs/dbraw/zinc/13/83/76/532138376.db2.gz AEXTWCGIWWBECT-UHFFFAOYSA-N 1 2 382.349 2.224 20 0 GEADLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000176118768 532126693 /nfs/dbraw/zinc/12/66/93/532126693.db2.gz GBUDDZMYVQPSGA-UHFFFAOYSA-N 1 2 375.226 2.445 20 0 GEADLO C[C@@H](NC(=O)N(C)Cc1cc(Br)cn1C)[C@H](C)[NH+]1CCOCC1 ZINC000125271027 532133996 /nfs/dbraw/zinc/13/39/96/532133996.db2.gz HMWTTXXAMCHKJZ-OLZOCXBDSA-N 1 2 387.322 2.038 20 0 GEADLO C[C@@H](CNC(=O)CSCC(=O)c1ccc(Cl)cc1)C[NH+]1CCOCC1 ZINC000176378507 532135095 /nfs/dbraw/zinc/13/50/95/532135095.db2.gz QBIZSVHLDASFMF-AWEZNQCLSA-N 1 2 384.929 2.340 20 0 GEADLO C[C@H](CNC(=O)CSCC(=O)c1ccc(Cl)cc1)C[NH+]1CCOCC1 ZINC000176378519 532135170 /nfs/dbraw/zinc/13/51/70/532135170.db2.gz QBIZSVHLDASFMF-CQSZACIVSA-N 1 2 384.929 2.340 20 0 GEADLO C[C@@H](CNC(=O)CN(C)C(=O)c1ccc(Br)s1)Cn1cc[nH+]c1 ZINC000176389680 532135912 /nfs/dbraw/zinc/13/59/12/532135912.db2.gz DTTUWMKXIYONBY-NSHDSACASA-N 1 2 399.314 2.232 20 0 GEADLO CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000176451126 532137596 /nfs/dbraw/zinc/13/75/96/532137596.db2.gz BFOFWOPDFVEUTO-JAUXOLPYSA-N 1 2 383.583 2.485 20 0 GEADLO CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000176451126 532137599 /nfs/dbraw/zinc/13/75/99/532137599.db2.gz BFOFWOPDFVEUTO-JAUXOLPYSA-N 1 2 383.583 2.485 20 0 GEADLO CN(C)c1nc(N)nc(CSCc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000176895325 532153752 /nfs/dbraw/zinc/15/37/52/532153752.db2.gz RJALCYORIAWSAS-UHFFFAOYSA-N 1 2 394.302 2.363 20 0 GEADLO O=C(C[S@](=O)Cc1cn2cc(Br)ccc2[nH+]1)NC1CCCC1 ZINC000176554839 532140854 /nfs/dbraw/zinc/14/08/54/532140854.db2.gz YWDNUAJYSLBPDS-JOCHJYFZSA-N 1 2 384.299 2.404 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000176574610 532141340 /nfs/dbraw/zinc/14/13/40/532141340.db2.gz JLNQUMCVFWVNBF-GFCCVEGCSA-N 1 2 386.279 2.240 20 0 GEADLO CC(=O)[C@H](NC(=O)C[N@H+](C)[C@@H](CO)c1cccc(Br)c1)C(C)C ZINC000125750986 532141621 /nfs/dbraw/zinc/14/16/21/532141621.db2.gz HILZEXZIMWXQKK-DOTOQJQBSA-N 1 2 385.302 2.144 20 0 GEADLO CC(=O)[C@H](NC(=O)C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1)C(C)C ZINC000125750986 532141625 /nfs/dbraw/zinc/14/16/25/532141625.db2.gz HILZEXZIMWXQKK-DOTOQJQBSA-N 1 2 385.302 2.144 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000176575390 532141794 /nfs/dbraw/zinc/14/17/94/532141794.db2.gz GHSXPFLNADQRQJ-BMFZPTHFSA-N 1 2 387.307 2.248 20 0 GEADLO NC(=O)[C@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCO1 ZINC000125729321 532141920 /nfs/dbraw/zinc/14/19/20/532141920.db2.gz KIXJATKXNWBXOH-CQSZACIVSA-N 1 2 376.869 2.402 20 0 GEADLO NC(=O)[C@H]1C[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCO1 ZINC000125729321 532141922 /nfs/dbraw/zinc/14/19/22/532141922.db2.gz KIXJATKXNWBXOH-CQSZACIVSA-N 1 2 376.869 2.402 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000176575370 532142150 /nfs/dbraw/zinc/14/21/50/532142150.db2.gz GHSXPFLNADQRQJ-IMJJTQAJSA-N 1 2 387.307 2.248 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000125791858 532142588 /nfs/dbraw/zinc/14/25/88/532142588.db2.gz WEFBZPOBKTWLGV-BXKDBHETSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000125791858 532142593 /nfs/dbraw/zinc/14/25/93/532142593.db2.gz WEFBZPOBKTWLGV-BXKDBHETSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(Br)cc(Cl)c2O)C[C@@H]1C ZINC000176663698 532144902 /nfs/dbraw/zinc/14/49/02/532144902.db2.gz XKMJCZSCEFIYGY-VHSXEESVSA-N 1 2 391.693 2.335 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(Br)cc(Cl)c2O)C[C@@H]1C ZINC000176663698 532144905 /nfs/dbraw/zinc/14/49/05/532144905.db2.gz XKMJCZSCEFIYGY-VHSXEESVSA-N 1 2 391.693 2.335 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c1ccc(OC(F)(F)F)cc1 ZINC000126196581 532146658 /nfs/dbraw/zinc/14/66/58/532146658.db2.gz YTFIYTMAKNNGBO-VAXYEAPXSA-N 1 2 380.432 2.461 20 0 GEADLO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O)c1ccc(OC(F)(F)F)cc1 ZINC000126196581 532146663 /nfs/dbraw/zinc/14/66/63/532146663.db2.gz YTFIYTMAKNNGBO-VAXYEAPXSA-N 1 2 380.432 2.461 20 0 GEADLO C[C@@]([NH2+]CC(=O)N1CCc2sccc2C1)(C(N)=O)c1cccc(Cl)c1 ZINC000177389594 532170961 /nfs/dbraw/zinc/17/09/61/532170961.db2.gz IFQWAVZIBOZSSV-SFHVURJKSA-N 1 2 377.897 2.277 20 0 GEADLO COCC[N@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000177684466 532178595 /nfs/dbraw/zinc/17/85/95/532178595.db2.gz ZVTGWLXERVHVDY-LBPRGKRZSA-N 1 2 380.279 2.224 20 0 GEADLO COCC[N@@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000177684466 532178597 /nfs/dbraw/zinc/17/85/97/532178597.db2.gz ZVTGWLXERVHVDY-LBPRGKRZSA-N 1 2 380.279 2.224 20 0 GEADLO Cc1c(Br)cccc1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000129842532 532184886 /nfs/dbraw/zinc/18/48/86/532184886.db2.gz BKTUITCUKZVZIE-UHFFFAOYSA-N 1 2 379.258 2.441 20 0 GEADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000129143578 532173154 /nfs/dbraw/zinc/17/31/54/532173154.db2.gz BQXYFLPBSXFVEU-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000129143578 532173156 /nfs/dbraw/zinc/17/31/56/532173156.db2.gz BQXYFLPBSXFVEU-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO Nc1cc(Br)ccc1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000177588213 532176331 /nfs/dbraw/zinc/17/63/31/532176331.db2.gz CYNBRDHYQRZNEQ-UHFFFAOYSA-N 1 2 375.270 2.384 20 0 GEADLO CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000178191901 532196400 /nfs/dbraw/zinc/19/64/00/532196400.db2.gz RYSASIJOTZNINM-UHFFFAOYSA-N 1 2 377.447 2.281 20 0 GEADLO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178239942 532197133 /nfs/dbraw/zinc/19/71/33/532197133.db2.gz XSWPJHKKTRKHBG-UHFFFAOYSA-N 1 2 394.244 2.235 20 0 GEADLO O=S(=O)(NCC(F)(F)F)N1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC000131910267 532206968 /nfs/dbraw/zinc/20/69/68/532206968.db2.gz RBZOKWOBTKHFML-QPJJXVBHSA-N 1 2 377.432 2.151 20 0 GEADLO CSc1ccc(C[NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 ZINC000131988910 532207685 /nfs/dbraw/zinc/20/76/85/532207685.db2.gz MWVNYDDDGDSTEC-UHFFFAOYSA-N 1 2 397.488 2.359 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)Cc1ccc(F)c(Cl)c1)[NH+]1CCN(C)CC1 ZINC000178953071 532218991 /nfs/dbraw/zinc/21/89/91/532218991.db2.gz NHBMIHUGJNKDPK-KRWDZBQOSA-N 1 2 391.940 2.171 20 0 GEADLO CCOc1cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc(Br)c1O ZINC000132403833 532214957 /nfs/dbraw/zinc/21/49/57/532214957.db2.gz JBTGIBILPHRMRK-NSHDSACASA-N 1 2 378.288 2.172 20 0 GEADLO CCOc1cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc(Br)c1O ZINC000132403833 532214960 /nfs/dbraw/zinc/21/49/60/532214960.db2.gz JBTGIBILPHRMRK-NSHDSACASA-N 1 2 378.288 2.172 20 0 GEADLO O=C(C[N@@H+]1CCOC[C@H]1C1CC1)Nc1ccc(I)cc1 ZINC000132439272 532215608 /nfs/dbraw/zinc/21/56/08/532215608.db2.gz IPHGYPRWFHEWBU-AWEZNQCLSA-N 1 2 386.233 2.341 20 0 GEADLO O=C(C[N@H+]1CCOC[C@H]1C1CC1)Nc1ccc(I)cc1 ZINC000132439272 532215612 /nfs/dbraw/zinc/21/56/12/532215612.db2.gz IPHGYPRWFHEWBU-AWEZNQCLSA-N 1 2 386.233 2.341 20 0 GEADLO CC1(C)C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCO1 ZINC000132534028 532217171 /nfs/dbraw/zinc/21/71/71/532217171.db2.gz NYEZMHHFJLQVKF-UHFFFAOYSA-N 1 2 387.311 2.148 20 0 GEADLO CC1(C)C[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCO1 ZINC000132534028 532217176 /nfs/dbraw/zinc/21/71/76/532217176.db2.gz NYEZMHHFJLQVKF-UHFFFAOYSA-N 1 2 387.311 2.148 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CCN1CC(F)(F)F ZINC000133767618 532242836 /nfs/dbraw/zinc/24/28/36/532242836.db2.gz MDBSWHLLBPKIPQ-ZDUSSCGKSA-N 1 2 379.448 2.005 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CCN1CC(F)(F)F ZINC000133767618 532242844 /nfs/dbraw/zinc/24/28/44/532242844.db2.gz MDBSWHLLBPKIPQ-ZDUSSCGKSA-N 1 2 379.448 2.005 20 0 GEADLO C[C@@H]1CCN(C(=O)c2cnn3cc(Br)cnc23)C[C@H]1n1cc[nH+]c1 ZINC000179806206 532245343 /nfs/dbraw/zinc/24/53/43/532245343.db2.gz AIYRSGWXCCMOKB-BXUZGUMPSA-N 1 2 389.257 2.412 20 0 GEADLO CNC(=O)c1ccc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000133932464 532245529 /nfs/dbraw/zinc/24/55/29/532245529.db2.gz ZTKPBGCANVQDBS-INIZCTEOSA-N 1 2 390.281 2.467 20 0 GEADLO CNC(=O)c1ccc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000133932464 532245531 /nfs/dbraw/zinc/24/55/31/532245531.db2.gz ZTKPBGCANVQDBS-INIZCTEOSA-N 1 2 390.281 2.467 20 0 GEADLO O=C(C[NH+]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1)N1CCCC1 ZINC000134295000 532253598 /nfs/dbraw/zinc/25/35/98/532253598.db2.gz FQCGQWCBBIPKGT-KRWDZBQOSA-N 1 2 386.323 2.267 20 0 GEADLO O=S(=O)(NCCCn1cc[nH+]c1)c1cc(Br)c(F)cc1F ZINC000179586807 532236964 /nfs/dbraw/zinc/23/69/64/532236964.db2.gz YVMLIRYFFCOSLU-UHFFFAOYSA-N 1 2 380.214 2.292 20 0 GEADLO CC(C)NC(=O)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000133620244 532239617 /nfs/dbraw/zinc/23/96/17/532239617.db2.gz WFAWDZCFEQXGMD-MRXNPFEDSA-N 1 2 382.302 2.227 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c(F)cccc2Br)[C@H](C)C1 ZINC000180386442 532270610 /nfs/dbraw/zinc/27/06/10/532270610.db2.gz IGPUTVSKLQPMIR-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2c(F)cccc2Br)[C@H](C)C1 ZINC000180386442 532270613 /nfs/dbraw/zinc/27/06/13/532270613.db2.gz IGPUTVSKLQPMIR-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO CC[C@]1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCC[NH2+]1 ZINC000134540374 532258395 /nfs/dbraw/zinc/25/83/95/532258395.db2.gz NIEAFUXSUZLFBL-MRXNPFEDSA-N 1 2 380.495 2.415 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@@](C)(O)C2)cc(I)c1OC ZINC000180197646 532261011 /nfs/dbraw/zinc/26/10/11/532261011.db2.gz IJZVKGFKJBKESX-CQSZACIVSA-N 1 2 377.222 2.265 20 0 GEADLO COc1cc(C[N@H+]2CC[C@@](C)(O)C2)cc(I)c1OC ZINC000180197646 532261013 /nfs/dbraw/zinc/26/10/13/532261013.db2.gz IJZVKGFKJBKESX-CQSZACIVSA-N 1 2 377.222 2.265 20 0 GEADLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)Cc1cc(Br)cn1C ZINC000180615787 532276936 /nfs/dbraw/zinc/27/69/36/532276936.db2.gz LHRBFLHZWZSXEU-UHFFFAOYSA-N 1 2 396.333 2.298 20 0 GEADLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)Cc1cc(Br)cn1C ZINC000180615787 532276940 /nfs/dbraw/zinc/27/69/40/532276940.db2.gz LHRBFLHZWZSXEU-UHFFFAOYSA-N 1 2 396.333 2.298 20 0 GEADLO O=S(=O)([C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1)N1CCCC1 ZINC000180743058 532279526 /nfs/dbraw/zinc/27/95/26/532279526.db2.gz FQJZAMXYMQHWHP-CYBMUJFWSA-N 1 2 378.416 2.427 20 0 GEADLO O=S(=O)([C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1)N1CCCC1 ZINC000180743058 532279529 /nfs/dbraw/zinc/27/95/29/532279529.db2.gz FQJZAMXYMQHWHP-CYBMUJFWSA-N 1 2 378.416 2.427 20 0 GEADLO O=S(=O)([C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1)N1CCCC1 ZINC000180743037 532279902 /nfs/dbraw/zinc/27/99/02/532279902.db2.gz FQJZAMXYMQHWHP-ZDUSSCGKSA-N 1 2 378.416 2.427 20 0 GEADLO O=S(=O)([C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1)N1CCCC1 ZINC000180743037 532279908 /nfs/dbraw/zinc/27/99/08/532279908.db2.gz FQJZAMXYMQHWHP-ZDUSSCGKSA-N 1 2 378.416 2.427 20 0 GEADLO COc1ncncc1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000135897376 532280966 /nfs/dbraw/zinc/28/09/66/532280966.db2.gz REYJRGKIZYEUSR-UHFFFAOYSA-N 1 2 377.202 2.217 20 0 GEADLO COc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)sc1Br ZINC000136228238 532282688 /nfs/dbraw/zinc/28/26/88/532282688.db2.gz OGAIVSBVJFJNRB-NSHDSACASA-N 1 2 389.315 2.456 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000180467105 532273184 /nfs/dbraw/zinc/27/31/84/532273184.db2.gz HZOIDDOUGAXUGD-KRWDZBQOSA-N 1 2 389.297 2.188 20 0 GEADLO COc1ccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)nc1Br ZINC000181115357 532291460 /nfs/dbraw/zinc/29/14/60/532291460.db2.gz LOURFFHMXPPCHK-UHFFFAOYSA-N 1 2 388.225 2.363 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000139068370 532292337 /nfs/dbraw/zinc/29/23/37/532292337.db2.gz KNHRRNCILZHAAE-ZDUSSCGKSA-N 1 2 396.285 2.210 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000139068370 532292341 /nfs/dbraw/zinc/29/23/41/532292341.db2.gz KNHRRNCILZHAAE-ZDUSSCGKSA-N 1 2 396.285 2.210 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000139068472 532292403 /nfs/dbraw/zinc/29/24/03/532292403.db2.gz KNHRRNCILZHAAE-CYBMUJFWSA-N 1 2 396.285 2.210 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000139068472 532292405 /nfs/dbraw/zinc/29/24/05/532292405.db2.gz KNHRRNCILZHAAE-CYBMUJFWSA-N 1 2 396.285 2.210 20 0 GEADLO C[C@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCN1S(C)(=O)=O ZINC000181608858 532302878 /nfs/dbraw/zinc/30/28/78/532302878.db2.gz VJTYAXIFYLYGDM-NSHDSACASA-N 1 2 394.324 2.288 20 0 GEADLO C[C@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCN1S(C)(=O)=O ZINC000181608858 532302881 /nfs/dbraw/zinc/30/28/81/532302881.db2.gz VJTYAXIFYLYGDM-NSHDSACASA-N 1 2 394.324 2.288 20 0 GEADLO COCCc1noc(C[N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)n1 ZINC000150999692 532305850 /nfs/dbraw/zinc/30/58/50/532305850.db2.gz ACXPDAOVRVSWDE-GFCCVEGCSA-N 1 2 390.267 2.437 20 0 GEADLO COCCc1noc(C[N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)n1 ZINC000150999692 532305852 /nfs/dbraw/zinc/30/58/52/532305852.db2.gz ACXPDAOVRVSWDE-GFCCVEGCSA-N 1 2 390.267 2.437 20 0 GEADLO COCCc1noc(C[N@H+](C)Cc2ccc(I)cc2)n1 ZINC000150992529 532305975 /nfs/dbraw/zinc/30/59/75/532305975.db2.gz HMCYMPUMXNDUAS-UHFFFAOYSA-N 1 2 387.221 2.495 20 0 GEADLO COCCc1noc(C[N@@H+](C)Cc2ccc(I)cc2)n1 ZINC000150992529 532305980 /nfs/dbraw/zinc/30/59/80/532305980.db2.gz HMCYMPUMXNDUAS-UHFFFAOYSA-N 1 2 387.221 2.495 20 0 GEADLO CC[N@@H+]1CC[C@H](NC(=O)CN2CSCC2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181095784 532290726 /nfs/dbraw/zinc/29/07/26/532290726.db2.gz XWUCDUIVFBVTIH-YOEHRIQHSA-N 1 2 385.892 2.264 20 0 GEADLO CC[N@H+]1CC[C@H](NC(=O)CN2CSCC2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181095784 532290729 /nfs/dbraw/zinc/29/07/29/532290729.db2.gz XWUCDUIVFBVTIH-YOEHRIQHSA-N 1 2 385.892 2.264 20 0 GEADLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000182404243 532312831 /nfs/dbraw/zinc/31/28/31/532312831.db2.gz ORVWVAJBUMOKSH-NSHDSACASA-N 1 2 398.859 2.019 20 0 GEADLO Cc1nsc(N2CC[NH+](C[C@@H](O)COc3cc(C)ccc3Cl)CC2)n1 ZINC000182533963 532314722 /nfs/dbraw/zinc/31/47/22/532314722.db2.gz BWVSFTZBTFZDHW-CQSZACIVSA-N 1 2 382.917 2.370 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)NCCCCCS(C)(=O)=O)cn2c1 ZINC000185245036 532337313 /nfs/dbraw/zinc/33/73/13/532337313.db2.gz RMUWBJBQJPGMHO-UHFFFAOYSA-N 1 2 383.539 2.207 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N[C@H]1CS(=O)(=O)c2ccccc21)c1cccs1 ZINC000185620701 532338156 /nfs/dbraw/zinc/33/81/56/532338156.db2.gz DMQREDZRLIQCDJ-UONOGXRCSA-N 1 2 379.507 2.179 20 0 GEADLO CC[C@H]([NH2+]CC(=O)NC(=O)N[C@H](C)COC)c1nc(C(F)(F)F)cs1 ZINC000185927245 532339212 /nfs/dbraw/zinc/33/92/12/532339212.db2.gz KBLOOHAYEOMNMN-BDAKNGLRSA-N 1 2 382.408 2.063 20 0 GEADLO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000186397254 532340804 /nfs/dbraw/zinc/34/08/04/532340804.db2.gz CLJAOSNORBMOQA-UHFFFAOYSA-N 1 2 396.241 2.378 20 0 GEADLO COc1c(Br)cccc1CN1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000186838550 532342189 /nfs/dbraw/zinc/34/21/89/532342189.db2.gz NQPOCTORXKUDLB-UHFFFAOYSA-N 1 2 384.318 2.100 20 0 GEADLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ncc(Cl)cc1Cl ZINC000186876055 532342379 /nfs/dbraw/zinc/34/23/79/532342379.db2.gz PUIRSFLPZONFDF-AWEZNQCLSA-N 1 2 375.300 2.371 20 0 GEADLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1ncc(Cl)cc1Cl ZINC000186876055 532342380 /nfs/dbraw/zinc/34/23/80/532342380.db2.gz PUIRSFLPZONFDF-AWEZNQCLSA-N 1 2 375.300 2.371 20 0 GEADLO O[C@H](CN1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(F)c(Br)c1 ZINC000187087121 532343059 /nfs/dbraw/zinc/34/30/59/532343059.db2.gz QPYCUZIXVQWOKP-RHSMWYFYSA-N 1 2 387.293 2.418 20 0 GEADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2SCC(N)=O)s1 ZINC000183953163 532330230 /nfs/dbraw/zinc/33/02/30/532330230.db2.gz NNXPRDOQJNISHZ-UHFFFAOYSA-N 1 2 378.523 2.492 20 0 GEADLO Cc1ccc(Br)nc1C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000187837578 532345758 /nfs/dbraw/zinc/34/57/58/532345758.db2.gz MATVCGRIEYNVLC-NSHDSACASA-N 1 2 383.315 2.402 20 0 GEADLO Cc1ccc(Br)c(S(=O)(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000188097396 532346674 /nfs/dbraw/zinc/34/66/74/532346674.db2.gz RJTIPLKYESDHDH-UHFFFAOYSA-N 1 2 391.331 2.147 20 0 GEADLO Cc1ccc(Br)c(S(=O)(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000188097396 532346675 /nfs/dbraw/zinc/34/66/75/532346675.db2.gz RJTIPLKYESDHDH-UHFFFAOYSA-N 1 2 391.331 2.147 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)sc1Br ZINC000188216375 532347387 /nfs/dbraw/zinc/34/73/87/532347387.db2.gz KEGUFVONEPCBNB-VIFPVBQESA-N 1 2 382.349 2.367 20 0 GEADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000188317037 532347782 /nfs/dbraw/zinc/34/77/82/532347782.db2.gz LBQHFXCOTOBHTF-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000188317037 532347783 /nfs/dbraw/zinc/34/77/83/532347783.db2.gz LBQHFXCOTOBHTF-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO COc1cc(Br)ccc1[C@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000188422645 532348014 /nfs/dbraw/zinc/34/80/14/532348014.db2.gz WHZCFRPAOOMZFA-LBPRGKRZSA-N 1 2 386.290 2.150 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000188430147 532348155 /nfs/dbraw/zinc/34/81/55/532348155.db2.gz YXQOSAJFTJDGPL-OAHLLOKOSA-N 1 2 391.269 2.032 20 0 GEADLO C[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CC[N@@H+]1CC(C)(C)O ZINC000188695334 532349136 /nfs/dbraw/zinc/34/91/36/532349136.db2.gz KCDDDOJIFUFGJR-LLVKDONJSA-N 1 2 395.301 2.243 20 0 GEADLO C[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CC[N@H+]1CC(C)(C)O ZINC000188695334 532349137 /nfs/dbraw/zinc/34/91/37/532349137.db2.gz KCDDDOJIFUFGJR-LLVKDONJSA-N 1 2 395.301 2.243 20 0 GEADLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](CCOCC(F)(F)C(F)F)C2 ZINC000188908567 532350071 /nfs/dbraw/zinc/35/00/71/532350071.db2.gz CMDOBYPZVCGKPX-UHFFFAOYSA-N 1 2 384.395 2.333 20 0 GEADLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](CCOCC(F)(F)C(F)F)C2 ZINC000188908567 532350072 /nfs/dbraw/zinc/35/00/72/532350072.db2.gz CMDOBYPZVCGKPX-UHFFFAOYSA-N 1 2 384.395 2.333 20 0 GEADLO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000188930814 532350452 /nfs/dbraw/zinc/35/04/52/532350452.db2.gz GJMFIEJOMHDBQH-UHFFFAOYSA-N 1 2 376.360 2.371 20 0 GEADLO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000188930814 532350453 /nfs/dbraw/zinc/35/04/53/532350453.db2.gz GJMFIEJOMHDBQH-UHFFFAOYSA-N 1 2 376.360 2.371 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000189244999 532351551 /nfs/dbraw/zinc/35/15/51/532351551.db2.gz XXQMUUORAMSMCO-LLVKDONJSA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000189244999 532351552 /nfs/dbraw/zinc/35/15/52/532351552.db2.gz XXQMUUORAMSMCO-LLVKDONJSA-N 1 2 396.738 2.108 20 0 GEADLO C[C@H]([C@H](C)NS(=O)(=O)c1ccc(CC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000189949763 532354313 /nfs/dbraw/zinc/35/43/13/532354313.db2.gz NNRLUWLPXONGGY-QWHCGFSZSA-N 1 2 380.432 2.179 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000190834885 532358115 /nfs/dbraw/zinc/35/81/15/532358115.db2.gz LJBJSKMHKRSQJJ-OAHLLOKOSA-N 1 2 389.587 2.313 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000190834885 532358116 /nfs/dbraw/zinc/35/81/16/532358116.db2.gz LJBJSKMHKRSQJJ-OAHLLOKOSA-N 1 2 389.587 2.313 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)Cc1ccc(Cl)c(F)c1)[NH+]1CCOCC1 ZINC000190864551 532358403 /nfs/dbraw/zinc/35/84/03/532358403.db2.gz IJGDGRJIKHNJOK-INIZCTEOSA-N 1 2 378.897 2.255 20 0 GEADLO COC(=O)CCCCCS(=O)(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000190887642 532358515 /nfs/dbraw/zinc/35/85/15/532358515.db2.gz ZENZHBAXAHRPCP-HNNXBMFYSA-N 1 2 388.555 2.490 20 0 GEADLO O=C(NCCCCNc1cccc[nH+]1)C(=O)Nc1ccc(Br)cn1 ZINC000191086271 532359484 /nfs/dbraw/zinc/35/94/84/532359484.db2.gz SEMYYOASGBMKEY-UHFFFAOYSA-N 1 2 392.257 2.186 20 0 GEADLO Cc1nc(CC2CC2)sc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000191296754 532360286 /nfs/dbraw/zinc/36/02/86/532360286.db2.gz YGGDPLIQMLIDBO-SFHVURJKSA-N 1 2 381.567 2.342 20 0 GEADLO O=C(C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1)NC1CCCC1 ZINC000191307232 532360330 /nfs/dbraw/zinc/36/03/30/532360330.db2.gz KQVTUURTZPYXIK-UHFFFAOYSA-N 1 2 377.436 2.128 20 0 GEADLO O=C(C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1)NC1CCCC1 ZINC000191307232 532360331 /nfs/dbraw/zinc/36/03/31/532360331.db2.gz KQVTUURTZPYXIK-UHFFFAOYSA-N 1 2 377.436 2.128 20 0 GEADLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191303252 532360362 /nfs/dbraw/zinc/36/03/62/532360362.db2.gz NHCYVGSJFCRPLT-NSHDSACASA-N 1 2 379.452 2.326 20 0 GEADLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191303252 532360363 /nfs/dbraw/zinc/36/03/63/532360363.db2.gz NHCYVGSJFCRPLT-NSHDSACASA-N 1 2 379.452 2.326 20 0 GEADLO CCN(CC)c1nc2sc(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc2s1 ZINC000187277454 532343863 /nfs/dbraw/zinc/34/38/63/532343863.db2.gz JZBUWHPTZJDQJW-LBPRGKRZSA-N 1 2 382.555 2.343 20 0 GEADLO CCN(CC)c1nc2sc(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc2s1 ZINC000187277454 532343864 /nfs/dbraw/zinc/34/38/64/532343864.db2.gz JZBUWHPTZJDQJW-LBPRGKRZSA-N 1 2 382.555 2.343 20 0 GEADLO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ncc(Br)cc1F ZINC000187346363 532344025 /nfs/dbraw/zinc/34/40/25/532344025.db2.gz VCZRVQQGAZOCNT-RNCFNFMXSA-N 1 2 382.237 2.173 20 0 GEADLO CSC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000187744204 532345469 /nfs/dbraw/zinc/34/54/69/532345469.db2.gz AQHLSOHWGMQMJG-MRXNPFEDSA-N 1 2 386.583 2.014 20 0 GEADLO O=C(c1cscc1C(F)(F)F)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000621913207 532372304 /nfs/dbraw/zinc/37/23/04/532372304.db2.gz GJQLLMNGLRUDCE-LBPRGKRZSA-N 1 2 378.416 2.330 20 0 GEADLO [NH3+]CC(F)(F)CNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000647251101 532372319 /nfs/dbraw/zinc/37/23/19/532372319.db2.gz RJMYAZNRAVBIKL-UHFFFAOYSA-N 1 2 377.638 2.116 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccc(Br)c2F)C1 ZINC000294622741 532372816 /nfs/dbraw/zinc/37/28/16/532372816.db2.gz YUCMLGQBTGWOGG-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2F)C1 ZINC000294622741 532372821 /nfs/dbraw/zinc/37/28/21/532372821.db2.gz YUCMLGQBTGWOGG-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CC(C)[C@H]([NH2+]Cc1ccnc(Br)c1)c1nc(-c2nc[nH]n2)no1 ZINC000294649858 532374368 /nfs/dbraw/zinc/37/43/68/532374368.db2.gz QMGLQVQEDGVNFX-NSHDSACASA-N 1 2 378.234 2.499 20 0 GEADLO Cc1cnc(NC(=O)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000191490860 532361162 /nfs/dbraw/zinc/36/11/62/532361162.db2.gz UIOBAFDUABSNEM-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO Cc1cnc(NC(=O)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)s1 ZINC000191490860 532361163 /nfs/dbraw/zinc/36/11/63/532361163.db2.gz UIOBAFDUABSNEM-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO Nc1[nH+]cnc(N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1Cl ZINC000277667183 532361851 /nfs/dbraw/zinc/36/18/51/532361851.db2.gz ZRXRAFJZJULKSL-UHFFFAOYSA-N 1 2 378.267 2.336 20 0 GEADLO CN(CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(=O)c1ccc(Br)o1 ZINC000589954757 532364057 /nfs/dbraw/zinc/36/40/57/532364057.db2.gz ITOXTBJAMOYZRV-NSHDSACASA-N 1 2 395.257 2.243 20 0 GEADLO CCCc1ccc(C[NH+]2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)s1 ZINC000621718913 532366729 /nfs/dbraw/zinc/36/67/29/532366729.db2.gz WOEJZXBKKGPHGA-UHFFFAOYSA-N 1 2 382.555 2.249 20 0 GEADLO O=C(NCCCCNc1cccc[nH+]1)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000372008589 532366973 /nfs/dbraw/zinc/36/69/73/532366973.db2.gz CZIKATAUEYAGEI-UHFFFAOYSA-N 1 2 379.507 2.236 20 0 GEADLO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000621887500 532370621 /nfs/dbraw/zinc/37/06/21/532370621.db2.gz DJZPZPPRPSIDLM-GFCCVEGCSA-N 1 2 397.269 2.115 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)N2CC[NH+](C(C)(C)COC)CC2)c1 ZINC000425200089 532371924 /nfs/dbraw/zinc/37/19/24/532371924.db2.gz GZYFPZLIRLKCAZ-UHFFFAOYSA-N 1 2 390.933 2.218 20 0 GEADLO Cc1cnc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(I)c1 ZINC000425255152 532379261 /nfs/dbraw/zinc/37/92/61/532379261.db2.gz MUZGJLZHZCSUDZ-LBPRGKRZSA-N 1 2 389.281 2.276 20 0 GEADLO Cc1cnc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c(I)c1 ZINC000425255152 532379266 /nfs/dbraw/zinc/37/92/66/532379266.db2.gz MUZGJLZHZCSUDZ-LBPRGKRZSA-N 1 2 389.281 2.276 20 0 GEADLO COC(=O)C[C@]1([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CCOC1 ZINC000463730095 532380073 /nfs/dbraw/zinc/38/00/73/532380073.db2.gz PKVIGXYYKJUWGG-MRXNPFEDSA-N 1 2 385.251 2.386 20 0 GEADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)c1cccc2cccc(Br)c21 ZINC000425288436 532380280 /nfs/dbraw/zinc/38/02/80/532380280.db2.gz BGBUQUTVPCZVKW-AWEZNQCLSA-N 1 2 393.281 2.025 20 0 GEADLO O=C1C[C@@H]([N@@H+]2CC[C@@H](n3cncn3)C2)C(=O)N1c1cccc(Cl)c1Cl ZINC000372268714 532380335 /nfs/dbraw/zinc/38/03/35/532380335.db2.gz RQHHHMMEWPXXKC-ZWNOBZJWSA-N 1 2 380.235 2.164 20 0 GEADLO O=C1C[C@@H]([N@H+]2CC[C@@H](n3cncn3)C2)C(=O)N1c1cccc(Cl)c1Cl ZINC000372268714 532380339 /nfs/dbraw/zinc/38/03/39/532380339.db2.gz RQHHHMMEWPXXKC-ZWNOBZJWSA-N 1 2 380.235 2.164 20 0 GEADLO Cc1cccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)c1Br ZINC000372292657 532381201 /nfs/dbraw/zinc/38/12/01/532381201.db2.gz DHZRERYDCBLMDT-GOSISDBHSA-N 1 2 397.313 2.369 20 0 GEADLO C[NH+](C)[C@H](CNS(=O)(=O)c1c[nH]nc1C(F)(F)F)c1cccc(F)c1 ZINC000647891800 532381968 /nfs/dbraw/zinc/38/19/68/532381968.db2.gz IOBXFJNBYTXFBL-LLVKDONJSA-N 1 2 380.367 2.149 20 0 GEADLO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CC(C[NH+]2CCOCC2)C1 ZINC000647887506 532382123 /nfs/dbraw/zinc/38/21/23/532382123.db2.gz XBXSNPDBQCDMQR-UHFFFAOYSA-N 1 2 379.309 2.087 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)c2c(Cl)cccc2I)C1 ZINC000463773015 532382122 /nfs/dbraw/zinc/38/21/22/532382122.db2.gz SQQCOYARZWGGCZ-SECBINFHSA-N 1 2 394.640 2.005 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)c2c(Cl)cccc2I)C1 ZINC000463773015 532382125 /nfs/dbraw/zinc/38/21/25/532382125.db2.gz SQQCOYARZWGGCZ-SECBINFHSA-N 1 2 394.640 2.005 20 0 GEADLO CCN(CC)C(=O)C[N@H+](C)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192059979 532382385 /nfs/dbraw/zinc/38/23/85/532382385.db2.gz XSYHUTTVIKLAHU-HNNXBMFYSA-N 1 2 382.302 2.355 20 0 GEADLO CCN(CC)C(=O)C[N@@H+](C)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192059979 532382392 /nfs/dbraw/zinc/38/23/92/532382392.db2.gz XSYHUTTVIKLAHU-HNNXBMFYSA-N 1 2 382.302 2.355 20 0 GEADLO Cc1cc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)ccc1Br ZINC000372292352 532382437 /nfs/dbraw/zinc/38/24/37/532382437.db2.gz AHYOWZYJOYWQFZ-SFHVURJKSA-N 1 2 397.313 2.369 20 0 GEADLO CN(C)C(=O)[C@](C)(NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C(F)(F)F ZINC000622900911 532382557 /nfs/dbraw/zinc/38/25/57/532382557.db2.gz QJGHOWUQEKMXRL-WFASDCNBSA-N 1 2 379.810 2.468 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000590729126 532383412 /nfs/dbraw/zinc/38/34/12/532383412.db2.gz VZEPBSIXVBPFPI-ZDUSSCGKSA-N 1 2 382.873 2.385 20 0 GEADLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)c1ccncc1I ZINC000372312148 532383477 /nfs/dbraw/zinc/38/34/77/532383477.db2.gz SPHXYZPLIWJCTN-JTQLQIEISA-N 1 2 382.205 2.190 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000192213249 532395590 /nfs/dbraw/zinc/39/55/90/532395590.db2.gz AYHNMQSOOQXNAE-UHFFFAOYSA-N 1 2 390.237 2.376 20 0 GEADLO CC(C)OCCOC[C@@H](O)C[N@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000558098054 532384705 /nfs/dbraw/zinc/38/47/05/532384705.db2.gz MHYHUKBLVBMGJC-OCCSQVGLSA-N 1 2 376.295 2.034 20 0 GEADLO CC(C)OCCOC[C@@H](O)C[N@@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000558098054 532384713 /nfs/dbraw/zinc/38/47/13/532384713.db2.gz MHYHUKBLVBMGJC-OCCSQVGLSA-N 1 2 376.295 2.034 20 0 GEADLO O=C1[C@@H]([N@@H+]2CCOC3(CCOCC3)C2)CCN1c1cccc(Br)c1 ZINC000192074504 532384829 /nfs/dbraw/zinc/38/48/29/532384829.db2.gz BSINVLMEUXJITF-INIZCTEOSA-N 1 2 395.297 2.436 20 0 GEADLO O=C1[C@@H]([N@H+]2CCOC3(CCOCC3)C2)CCN1c1cccc(Br)c1 ZINC000192074504 532384831 /nfs/dbraw/zinc/38/48/31/532384831.db2.gz BSINVLMEUXJITF-INIZCTEOSA-N 1 2 395.297 2.436 20 0 GEADLO CC(C)(C)N1CC[C@H]([NH+]2CCN(c3ccc(Br)cn3)CC2)C1=O ZINC000425386586 532385121 /nfs/dbraw/zinc/38/51/21/532385121.db2.gz RWUBFKGRQKSJFD-AWEZNQCLSA-N 1 2 381.318 2.366 20 0 GEADLO O=C(C[N@H+]1CCCN(C(=O)c2c(Cl)cncc2Cl)CC1)N1CCCC1 ZINC000294839740 532386129 /nfs/dbraw/zinc/38/61/29/532386129.db2.gz RSLHPEVYAOTKFM-UHFFFAOYSA-N 1 2 385.295 2.159 20 0 GEADLO O=C(C[N@@H+]1CCCN(C(=O)c2c(Cl)cncc2Cl)CC1)N1CCCC1 ZINC000294839740 532386135 /nfs/dbraw/zinc/38/61/35/532386135.db2.gz RSLHPEVYAOTKFM-UHFFFAOYSA-N 1 2 385.295 2.159 20 0 GEADLO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590795616 532386963 /nfs/dbraw/zinc/38/69/63/532386963.db2.gz OTCKNZWJSCKJKB-LBPRGKRZSA-N 1 2 383.857 2.334 20 0 GEADLO COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000278896224 532387148 /nfs/dbraw/zinc/38/71/48/532387148.db2.gz OSXLGNGSEDBBJT-OAHLLOKOSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000278896224 532387155 /nfs/dbraw/zinc/38/71/55/532387155.db2.gz OSXLGNGSEDBBJT-OAHLLOKOSA-N 1 2 386.901 2.127 20 0 GEADLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000372384106 532389105 /nfs/dbraw/zinc/38/91/05/532389105.db2.gz KGUMGXICQYCWGJ-NSHDSACASA-N 1 2 384.889 2.128 20 0 GEADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000558412132 532390473 /nfs/dbraw/zinc/39/04/73/532390473.db2.gz RMAFHBHMXLRUQZ-QGZVFWFLSA-N 1 2 396.285 2.357 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000623932021 532390720 /nfs/dbraw/zinc/39/07/20/532390720.db2.gz VMCYXUYHHLJUKQ-UONOGXRCSA-N 1 2 387.311 2.202 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000623932021 532390724 /nfs/dbraw/zinc/39/07/24/532390724.db2.gz VMCYXUYHHLJUKQ-UONOGXRCSA-N 1 2 387.311 2.202 20 0 GEADLO CCOc1cccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)c1OC(F)F ZINC000372405543 532390784 /nfs/dbraw/zinc/39/07/84/532390784.db2.gz WAPFTFRGMHZCES-CYBMUJFWSA-N 1 2 378.441 2.200 20 0 GEADLO CCOc1cccc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)c1OC(F)F ZINC000372405543 532390790 /nfs/dbraw/zinc/39/07/90/532390790.db2.gz WAPFTFRGMHZCES-CYBMUJFWSA-N 1 2 378.441 2.200 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)Cn2cncn2)CC1 ZINC000590912251 532392817 /nfs/dbraw/zinc/39/28/17/532392817.db2.gz CLGLKVKJMSTLRT-MRXNPFEDSA-N 1 2 392.301 2.336 20 0 GEADLO COc1ccc(Br)cc1CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000279267450 532393608 /nfs/dbraw/zinc/39/36/08/532393608.db2.gz IZWVMFUODUOOMB-CYBMUJFWSA-N 1 2 385.302 2.179 20 0 GEADLO Cc1nc([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)c(C)s1 ZINC000678588712 532397703 /nfs/dbraw/zinc/39/77/03/532397703.db2.gz TTYWZJTWDBMYIM-GFCCVEGCSA-N 1 2 383.539 2.224 20 0 GEADLO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000678628261 532399538 /nfs/dbraw/zinc/39/95/38/532399538.db2.gz HSCRKRVJYBOKSQ-LSDHHAIUSA-N 1 2 375.296 2.140 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1c(F)cc(F)cc1Br ZINC000192289010 532399593 /nfs/dbraw/zinc/39/95/93/532399593.db2.gz IWUAFCJXGHNVDI-SNVBAGLBSA-N 1 2 391.260 2.485 20 0 GEADLO O=S1(=O)CCN(C2CC[NH+](Cc3cc4cc(Cl)cnc4o3)CC2)CC1 ZINC000648536314 532399949 /nfs/dbraw/zinc/39/99/49/532399949.db2.gz NTIDLTHQHGOWIS-UHFFFAOYSA-N 1 2 383.901 2.176 20 0 GEADLO O=C1CNC(=O)N1CCC[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464593748 532400099 /nfs/dbraw/zinc/40/00/99/532400099.db2.gz NZKLNEAGKWRDGJ-UHFFFAOYSA-N 1 2 386.677 2.403 20 0 GEADLO O=C1CNC(=O)N1CCC[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464593748 532400105 /nfs/dbraw/zinc/40/01/05/532400105.db2.gz NZKLNEAGKWRDGJ-UHFFFAOYSA-N 1 2 386.677 2.403 20 0 GEADLO CCN(C(=O)[C@@H](C)[N@@H+]1CCSC(CC)(CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000464586259 532400246 /nfs/dbraw/zinc/40/02/46/532400246.db2.gz GVYOXAVGZUWJFB-CABCVRRESA-N 1 2 376.588 2.018 20 0 GEADLO CCN(C(=O)[C@@H](C)[N@H+]1CCSC(CC)(CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000464586259 532400248 /nfs/dbraw/zinc/40/02/48/532400248.db2.gz GVYOXAVGZUWJFB-CABCVRRESA-N 1 2 376.588 2.018 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCSC(CC)(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000464586800 532400655 /nfs/dbraw/zinc/40/06/55/532400655.db2.gz IOWPNOMANSBFAL-MRXNPFEDSA-N 1 2 390.615 2.410 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCSC(CC)(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000464586800 532400659 /nfs/dbraw/zinc/40/06/59/532400659.db2.gz IOWPNOMANSBFAL-MRXNPFEDSA-N 1 2 390.615 2.410 20 0 GEADLO COC(=O)C[C@@]1([NH2+]Cc2nc(-c3cccc(Br)c3)no2)CCOC1 ZINC000464619825 532400888 /nfs/dbraw/zinc/40/08/88/532400888.db2.gz DWMQGVAHEJSIMR-INIZCTEOSA-N 1 2 396.241 2.311 20 0 GEADLO Cc1c(Cl)ccc2ccc(NCC[NH+]3CCN(S(C)(=O)=O)CC3)nc12 ZINC000678821491 532401198 /nfs/dbraw/zinc/40/11/98/532401198.db2.gz UKFIBWACKGCQAZ-UHFFFAOYSA-N 1 2 382.917 2.186 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@@H+]1CCSC(CC)(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000464573258 532398973 /nfs/dbraw/zinc/39/89/73/532398973.db2.gz UNVKERGTYPUBMS-HZPDHXFCSA-N 1 2 390.615 2.408 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@H+]1CCSC(CC)(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000464573258 532398978 /nfs/dbraw/zinc/39/89/78/532398978.db2.gz UNVKERGTYPUBMS-HZPDHXFCSA-N 1 2 390.615 2.408 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1Br ZINC000591227971 532403252 /nfs/dbraw/zinc/40/32/52/532403252.db2.gz FSDOMJKXABOSQK-CYBMUJFWSA-N 1 2 385.302 2.227 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@H+]2CCOC[C@H]2C)cc1Br ZINC000591227971 532403256 /nfs/dbraw/zinc/40/32/56/532403256.db2.gz FSDOMJKXABOSQK-CYBMUJFWSA-N 1 2 385.302 2.227 20 0 GEADLO O=C(NCc1cn2ccccc2[nH+]1)C(=O)NCc1ccccc1Br ZINC000559426330 532403306 /nfs/dbraw/zinc/40/33/06/532403306.db2.gz CVUUORGDIXXCPY-UHFFFAOYSA-N 1 2 387.237 2.029 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000591230367 532403425 /nfs/dbraw/zinc/40/34/25/532403425.db2.gz RUQPNDSWTQATFR-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000591230367 532403434 /nfs/dbraw/zinc/40/34/34/532403434.db2.gz RUQPNDSWTQATFR-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO O=C(c1cc(Br)c(F)cc1O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000295107547 532403438 /nfs/dbraw/zinc/40/34/38/532403438.db2.gz KYLDYNXKVLIJKT-LLVKDONJSA-N 1 2 387.249 2.088 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000591230245 532403609 /nfs/dbraw/zinc/40/36/09/532403609.db2.gz NYBNUVSCOTYMTM-LBPRGKRZSA-N 1 2 393.285 2.290 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000591230245 532403614 /nfs/dbraw/zinc/40/36/14/532403614.db2.gz NYBNUVSCOTYMTM-LBPRGKRZSA-N 1 2 393.285 2.290 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1Br ZINC000591227972 532403623 /nfs/dbraw/zinc/40/36/23/532403623.db2.gz FSDOMJKXABOSQK-ZDUSSCGKSA-N 1 2 385.302 2.227 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1Br ZINC000591227972 532403630 /nfs/dbraw/zinc/40/36/30/532403630.db2.gz FSDOMJKXABOSQK-ZDUSSCGKSA-N 1 2 385.302 2.227 20 0 GEADLO Cn1cc(-c2nc(C[NH2+][C@@H](CS(C)(=O)=O)c3ccccc3)cs2)cn1 ZINC000678797343 532401322 /nfs/dbraw/zinc/40/13/22/532401322.db2.gz QZCGADPYKSIGKN-INIZCTEOSA-N 1 2 376.507 2.419 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C)S(=O)(=O)CC1)c1ccsc1 ZINC000192304242 532401662 /nfs/dbraw/zinc/40/16/62/532401662.db2.gz SPNXBFAFKGHZLQ-HOCLYGCPSA-N 1 2 387.571 2.350 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)CCO1 ZINC000426040370 532401919 /nfs/dbraw/zinc/40/19/19/532401919.db2.gz UZELSHCSCRIBDE-ZDUSSCGKSA-N 1 2 391.299 2.177 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)CCO1 ZINC000426040370 532401922 /nfs/dbraw/zinc/40/19/22/532401922.db2.gz UZELSHCSCRIBDE-ZDUSSCGKSA-N 1 2 391.299 2.177 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCCc2nc(C(F)(F)F)cs2)CCO1 ZINC000426021287 532402164 /nfs/dbraw/zinc/40/21/64/532402164.db2.gz YXLYEELUNAYNSC-NSHDSACASA-N 1 2 380.436 2.114 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCCc2nc(C(F)(F)F)cs2)CCO1 ZINC000426021287 532402167 /nfs/dbraw/zinc/40/21/67/532402167.db2.gz YXLYEELUNAYNSC-NSHDSACASA-N 1 2 380.436 2.114 20 0 GEADLO O=S(=O)(c1cc(Cl)sc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000679471186 532405503 /nfs/dbraw/zinc/40/55/03/532405503.db2.gz DGYRJGHVSOLDQY-UWVGGRQHSA-N 1 2 385.338 2.275 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000679473368 532405578 /nfs/dbraw/zinc/40/55/78/532405578.db2.gz XGNAPKKZHHXMFJ-JKSUJKDBSA-N 1 2 393.336 2.354 20 0 GEADLO CCSCC[C@H](C)[N@H+](C)CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000464852524 532407229 /nfs/dbraw/zinc/40/72/29/532407229.db2.gz OEJNHURSCAYMPM-JKSUJKDBSA-N 1 2 378.604 2.122 20 0 GEADLO CCSCC[C@H](C)[N@@H+](C)CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000464852524 532407233 /nfs/dbraw/zinc/40/72/33/532407233.db2.gz OEJNHURSCAYMPM-JKSUJKDBSA-N 1 2 378.604 2.122 20 0 GEADLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280069728 532407865 /nfs/dbraw/zinc/40/78/65/532407865.db2.gz KYIKXURIKGUNHG-XUOSJQGZSA-N 1 2 381.203 2.215 20 0 GEADLO Cc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000427048761 532409802 /nfs/dbraw/zinc/40/98/02/532409802.db2.gz IRBVATGVCQNVSL-LLVKDONJSA-N 1 2 377.242 2.024 20 0 GEADLO O=C(Nc1ccc(Br)cc1Cl)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427038501 532410078 /nfs/dbraw/zinc/41/00/78/532410078.db2.gz NNPQPFMJNKWULA-SNVBAGLBSA-N 1 2 397.660 2.369 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000426434777 532408359 /nfs/dbraw/zinc/40/83/59/532408359.db2.gz JHETXCKABUBIHO-UHFFFAOYSA-N 1 2 383.286 2.178 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192801050 532411515 /nfs/dbraw/zinc/41/15/15/532411515.db2.gz NKIFZOHZPHPAOE-UHFFFAOYSA-N 1 2 391.269 2.279 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427137553 532412462 /nfs/dbraw/zinc/41/24/62/532412462.db2.gz SZSDXWMYNXDDOM-UHFFFAOYSA-N 1 2 399.195 2.289 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)Cc3ccn(C)n3)[nH+]c12 ZINC000680403303 532412691 /nfs/dbraw/zinc/41/26/91/532412691.db2.gz QKFSVHRHRJBYAL-UHFFFAOYSA-N 1 2 376.258 2.040 20 0 GEADLO COc1cc(Br)c(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c(OC)c1 ZINC000295169299 532413555 /nfs/dbraw/zinc/41/35/55/532413555.db2.gz UBOWEKPMXQIUFA-WBVHZDCISA-N 1 2 385.302 2.371 20 0 GEADLO COc1cc(Br)c(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c(OC)c1 ZINC000295169299 532413558 /nfs/dbraw/zinc/41/35/58/532413558.db2.gz UBOWEKPMXQIUFA-WBVHZDCISA-N 1 2 385.302 2.371 20 0 GEADLO Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[NH+](CCCO)CC2)c1Cl ZINC000680510283 532416781 /nfs/dbraw/zinc/41/67/81/532416781.db2.gz HMFKHTLXUNPZNU-UHFFFAOYSA-N 1 2 381.325 2.299 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)ccc2OC)C1 ZINC000517529203 532418139 /nfs/dbraw/zinc/41/81/39/532418139.db2.gz RUBIKMCRABFCPN-LBPRGKRZSA-N 1 2 399.285 2.073 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(Br)ccc2OC)C1 ZINC000517529203 532418150 /nfs/dbraw/zinc/41/81/50/532418150.db2.gz RUBIKMCRABFCPN-LBPRGKRZSA-N 1 2 399.285 2.073 20 0 GEADLO Cc1cnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(I)c1 ZINC000591817513 532424639 /nfs/dbraw/zinc/42/46/39/532424639.db2.gz XORYODHVFVHTFI-ZDUSSCGKSA-N 1 2 387.265 2.296 20 0 GEADLO Cc1ccc(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)c(Br)c1 ZINC000295238531 532424874 /nfs/dbraw/zinc/42/48/74/532424874.db2.gz UQDVKDGTBYVWFK-UHFFFAOYSA-N 1 2 387.303 2.316 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000295254111 532425767 /nfs/dbraw/zinc/42/57/67/532425767.db2.gz XDWSRUZHTDBNEU-LBPRGKRZSA-N 1 2 385.580 2.422 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000295254111 532425773 /nfs/dbraw/zinc/42/57/73/532425773.db2.gz XDWSRUZHTDBNEU-LBPRGKRZSA-N 1 2 385.580 2.422 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)C[C@@H]1C ZINC000681263342 532426388 /nfs/dbraw/zinc/42/63/88/532426388.db2.gz QWRXNBLUNKKCBD-AWEZNQCLSA-N 1 2 390.933 2.470 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)C[C@@H]1C ZINC000681263342 532426396 /nfs/dbraw/zinc/42/63/96/532426396.db2.gz QWRXNBLUNKKCBD-AWEZNQCLSA-N 1 2 390.933 2.470 20 0 GEADLO Brc1ccc(-c2nc([C@@H]3C[NH+]4CCN3CC4)no2)c2c1CCCO2 ZINC000517781039 532426770 /nfs/dbraw/zinc/42/67/70/532426770.db2.gz DQJXXGIKKLITLR-AWEZNQCLSA-N 1 2 391.269 2.496 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000517788971 532427562 /nfs/dbraw/zinc/42/75/62/532427562.db2.gz DVYBEJQWURYIDE-UHFFFAOYSA-N 1 2 395.356 2.078 20 0 GEADLO COCC(=O)NC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000681399681 532429520 /nfs/dbraw/zinc/42/95/20/532429520.db2.gz YGSFEZHMAGRBBR-UHFFFAOYSA-N 1 2 381.274 2.052 20 0 GEADLO COCC(=O)NC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000681399681 532429525 /nfs/dbraw/zinc/42/95/25/532429525.db2.gz YGSFEZHMAGRBBR-UHFFFAOYSA-N 1 2 381.274 2.052 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@H]1CCc2c1ccc(F)c2Br ZINC000517903075 532430337 /nfs/dbraw/zinc/43/03/37/532430337.db2.gz NESQAIRFVJICRS-STQMWFEESA-N 1 2 393.216 2.462 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@H]1CCc2c1ccc(F)c2Br ZINC000517903075 532430342 /nfs/dbraw/zinc/43/03/42/532430342.db2.gz NESQAIRFVJICRS-STQMWFEESA-N 1 2 393.216 2.462 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)CCn1cc(Br)ccc1=O)C1CC1 ZINC000561114360 532431003 /nfs/dbraw/zinc/43/10/03/532431003.db2.gz RHJQSOBYTRTIPB-OAHLLOKOSA-N 1 2 379.258 2.002 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000466828092 532435815 /nfs/dbraw/zinc/43/58/15/532435815.db2.gz HHIHRAHUNUQJPJ-MRVPVSSYSA-N 1 2 387.184 2.067 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)CCO1 ZINC000427884588 532436335 /nfs/dbraw/zinc/43/63/35/532436335.db2.gz IXNATJCLCAQNSR-GFCCVEGCSA-N 1 2 388.295 2.467 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)CCO1 ZINC000427884588 532436341 /nfs/dbraw/zinc/43/63/41/532436341.db2.gz IXNATJCLCAQNSR-GFCCVEGCSA-N 1 2 388.295 2.467 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)CN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000591997374 532432637 /nfs/dbraw/zinc/43/26/37/532432637.db2.gz BROGBODRABOFTO-NXEZZACHSA-N 1 2 383.217 2.497 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132590 532434081 /nfs/dbraw/zinc/43/40/81/532434081.db2.gz PTRYARIDQJPQCG-FZMZJTMJSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132590 532434089 /nfs/dbraw/zinc/43/40/89/532434089.db2.gz PTRYARIDQJPQCG-FZMZJTMJSA-N 1 2 376.266 2.359 20 0 GEADLO NC(=O)c1coc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 ZINC000427845266 532435206 /nfs/dbraw/zinc/43/52/06/532435206.db2.gz PIXPUAOVDQFNNX-CYBMUJFWSA-N 1 2 399.266 2.149 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000193982902 532441104 /nfs/dbraw/zinc/44/11/04/532441104.db2.gz JTMBTFZYDRXVPE-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000193982902 532441106 /nfs/dbraw/zinc/44/11/06/532441106.db2.gz JTMBTFZYDRXVPE-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO CCOc1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc(Cl)c1OC ZINC000373174640 532437323 /nfs/dbraw/zinc/43/73/23/532437323.db2.gz CADHMEOBOLJNAD-CQSZACIVSA-N 1 2 388.917 2.403 20 0 GEADLO CCOc1cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc(Cl)c1OC ZINC000373174640 532437326 /nfs/dbraw/zinc/43/73/26/532437326.db2.gz CADHMEOBOLJNAD-CQSZACIVSA-N 1 2 388.917 2.403 20 0 GEADLO Cc1cc(Br)cn2cc(CNS(=O)(=O)c3ccccc3N)[nH+]c12 ZINC000467084661 532438227 /nfs/dbraw/zinc/43/82/27/532438227.db2.gz JBWWXYJCUNHKCO-UHFFFAOYSA-N 1 2 395.282 2.466 20 0 GEADLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(Br)cn2)CC1(C)C ZINC000295357044 532438644 /nfs/dbraw/zinc/43/86/44/532438644.db2.gz RRXXSURNMSNRQY-GFCCVEGCSA-N 1 2 385.287 2.349 20 0 GEADLO O=C(Cc1cccc(I)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427991908 532439592 /nfs/dbraw/zinc/43/95/92/532439592.db2.gz AKBMTZVCYJDPHI-ZDUSSCGKSA-N 1 2 381.217 2.161 20 0 GEADLO O=C1CSc2ncnc(N3CC[NH+](Cc4ccc(Cl)cc4)CC3)c2N1 ZINC000682236355 532443555 /nfs/dbraw/zinc/44/35/55/532443555.db2.gz JCPONPKSCODSHB-UHFFFAOYSA-N 1 2 375.885 2.496 20 0 GEADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)n1 ZINC000561788530 532451718 /nfs/dbraw/zinc/45/17/18/532451718.db2.gz ZKCAYLMKEBDJNS-OLZOCXBDSA-N 1 2 388.559 2.178 20 0 GEADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)n1 ZINC000561788530 532451721 /nfs/dbraw/zinc/45/17/21/532451721.db2.gz ZKCAYLMKEBDJNS-OLZOCXBDSA-N 1 2 388.559 2.178 20 0 GEADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)n1 ZINC000561788531 532451811 /nfs/dbraw/zinc/45/18/11/532451811.db2.gz ZKCAYLMKEBDJNS-QWHCGFSZSA-N 1 2 388.559 2.178 20 0 GEADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)n1 ZINC000561788531 532451815 /nfs/dbraw/zinc/45/18/15/532451815.db2.gz ZKCAYLMKEBDJNS-QWHCGFSZSA-N 1 2 388.559 2.178 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1([S@@](C)=O)CC1)c1ccc(Cl)cc1 ZINC000282322307 532456985 /nfs/dbraw/zinc/45/69/85/532456985.db2.gz SLEZSYIPGQCOCS-DLUDVSRJSA-N 1 2 380.901 2.373 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000373512890 532453869 /nfs/dbraw/zinc/45/38/69/532453869.db2.gz CPMDCCSRSJADAJ-ZDUSSCGKSA-N 1 2 398.282 2.140 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000373512890 532453873 /nfs/dbraw/zinc/45/38/73/532453873.db2.gz CPMDCCSRSJADAJ-ZDUSSCGKSA-N 1 2 398.282 2.140 20 0 GEADLO CC(=O)NCC[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000561934038 532454249 /nfs/dbraw/zinc/45/42/49/532454249.db2.gz IHPJEMVQDVXFGZ-BBRMVZONSA-N 1 2 382.302 2.214 20 0 GEADLO CC(=O)NCC[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000561934038 532454252 /nfs/dbraw/zinc/45/42/52/532454252.db2.gz IHPJEMVQDVXFGZ-BBRMVZONSA-N 1 2 382.302 2.214 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000373501140 532454763 /nfs/dbraw/zinc/45/47/63/532454763.db2.gz HQLUSBVFUHDLBB-LLVKDONJSA-N 1 2 377.482 2.242 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000295533785 532455710 /nfs/dbraw/zinc/45/57/10/532455710.db2.gz BXGMYYVFEALZHI-LBPRGKRZSA-N 1 2 391.269 2.335 20 0 GEADLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(Cl)c(I)c2)C1 ZINC000519144225 532457838 /nfs/dbraw/zinc/45/78/38/532457838.db2.gz TYVPLLZDARKWIR-NSHDSACASA-N 1 2 380.613 2.214 20 0 GEADLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(Cl)c(I)c2)C1 ZINC000519144225 532457841 /nfs/dbraw/zinc/45/78/41/532457841.db2.gz TYVPLLZDARKWIR-NSHDSACASA-N 1 2 380.613 2.214 20 0 GEADLO CN(C)c1[nH]c2ccc(NC(=O)Cn3cc(Br)ccc3=O)cc2[nH+]1 ZINC000468030925 532458650 /nfs/dbraw/zinc/45/86/50/532458650.db2.gz SHFAWHJZERKMAU-UHFFFAOYSA-N 1 2 390.241 2.192 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)S(=O)(=O)Cc1c[nH+]cn1C ZINC000467954963 532459046 /nfs/dbraw/zinc/45/90/46/532459046.db2.gz UCVCEMHDSDFNKH-SNVBAGLBSA-N 1 2 386.271 2.125 20 0 GEADLO C[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428783164 532460503 /nfs/dbraw/zinc/46/05/03/532460503.db2.gz MOKJTINMHYLLRM-AMXDTQDGSA-N 1 2 399.365 2.067 20 0 GEADLO C[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428783164 532460507 /nfs/dbraw/zinc/46/05/07/532460507.db2.gz MOKJTINMHYLLRM-AMXDTQDGSA-N 1 2 399.365 2.067 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc(Br)cs1 ZINC000195045081 532464524 /nfs/dbraw/zinc/46/45/24/532464524.db2.gz LOFYESIOMXWHMA-CQSZACIVSA-N 1 2 391.356 2.448 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000683642441 532464701 /nfs/dbraw/zinc/46/47/01/532464701.db2.gz OIBNSGIYQSZZSV-HNNXBMFYSA-N 1 2 391.269 2.348 20 0 GEADLO CC(=O)N[C@@H](CC(=O)NCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000519488857 532466152 /nfs/dbraw/zinc/46/61/52/532466152.db2.gz VKYNYXKLNCDHHD-HNNXBMFYSA-N 1 2 379.258 2.066 20 0 GEADLO CC(=O)N1CC[NH+](CCNc2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651298167 532463307 /nfs/dbraw/zinc/46/33/07/532463307.db2.gz ZFJKEESTOQHTGO-UHFFFAOYSA-N 1 2 395.276 2.712 20 0 GEADLO COCc1cccc(C[N@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000282456304 532468489 /nfs/dbraw/zinc/46/84/89/532468489.db2.gz MEIQGCKZCXJTDP-UHFFFAOYSA-N 1 2 376.469 2.324 20 0 GEADLO COCc1cccc(C[N@@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000282456304 532468495 /nfs/dbraw/zinc/46/84/95/532468495.db2.gz MEIQGCKZCXJTDP-UHFFFAOYSA-N 1 2 376.469 2.324 20 0 GEADLO Cc1cc(=O)n2nc(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)sc2n1 ZINC000195141653 532471023 /nfs/dbraw/zinc/47/10/23/532471023.db2.gz JJPHPIAQIPSJOR-UHFFFAOYSA-N 1 2 375.885 2.435 20 0 GEADLO CCOc1cc(C[N@@H+]2CC[C@@H](NC(=O)NC)C2)cc(Br)c1OC ZINC000468680642 532471869 /nfs/dbraw/zinc/47/18/69/532471869.db2.gz FBFLFOVNFLIKMV-GFCCVEGCSA-N 1 2 386.290 2.360 20 0 GEADLO CCOc1cc(C[N@H+]2CC[C@@H](NC(=O)NC)C2)cc(Br)c1OC ZINC000468680642 532471874 /nfs/dbraw/zinc/47/18/74/532471874.db2.gz FBFLFOVNFLIKMV-GFCCVEGCSA-N 1 2 386.290 2.360 20 0 GEADLO O=S(=O)(c1ccccc1Cl)N1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000195233267 532472365 /nfs/dbraw/zinc/47/23/65/532472365.db2.gz NHHPETCKCAGRQN-QGZVFWFLSA-N 1 2 388.917 2.190 20 0 GEADLO O=C1C[C@@H](N2CC[NH+](Cc3ccc(Cl)s3)CC2)C(=O)N1CC(F)(F)F ZINC000195233380 532472526 /nfs/dbraw/zinc/47/25/26/532472526.db2.gz HPRNDZCFTAKESU-LLVKDONJSA-N 1 2 395.834 2.209 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)C(C)(C)CO ZINC000295761165 532473570 /nfs/dbraw/zinc/47/35/70/532473570.db2.gz PDXUSYZAZXLDRE-CYBMUJFWSA-N 1 2 375.853 2.251 20 0 GEADLO Cc1sc2ncnc(SCCC(=O)NC[C@@H]3COCC[N@H+]3C)c2c1C ZINC000628917826 532476614 /nfs/dbraw/zinc/47/66/14/532476614.db2.gz DQVJHVHYALGOKW-CYBMUJFWSA-N 1 2 380.539 2.237 20 0 GEADLO Cc1sc2ncnc(SCCC(=O)NC[C@@H]3COCC[N@@H+]3C)c2c1C ZINC000628917826 532476619 /nfs/dbraw/zinc/47/66/19/532476619.db2.gz DQVJHVHYALGOKW-CYBMUJFWSA-N 1 2 380.539 2.237 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000468838994 532476904 /nfs/dbraw/zinc/47/69/04/532476904.db2.gz GGXYAOHBHWJRAO-CHWSQXEVSA-N 1 2 387.889 2.317 20 0 GEADLO O=C(N1CCOc2c(Br)cccc2C1)C1([NH+]2CCOCC2)CCC1 ZINC000684333179 532477581 /nfs/dbraw/zinc/47/75/81/532477581.db2.gz NUQGOQQVVXWNNV-UHFFFAOYSA-N 1 2 395.297 2.425 20 0 GEADLO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000429519452 532478521 /nfs/dbraw/zinc/47/85/21/532478521.db2.gz WCDYIFDSNDKHOK-OAHLLOKOSA-N 1 2 379.507 2.373 20 0 GEADLO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000651578965 532479761 /nfs/dbraw/zinc/47/97/61/532479761.db2.gz KGUFMGGSEKURNE-NSHDSACASA-N 1 2 377.329 2.454 20 0 GEADLO CCn1ncnc1C[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000684607443 532479887 /nfs/dbraw/zinc/47/98/87/532479887.db2.gz SUAOBGIQXNUPDN-CQSZACIVSA-N 1 2 378.274 2.264 20 0 GEADLO C[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC[S@]1=O ZINC000429599627 532481145 /nfs/dbraw/zinc/48/11/45/532481145.db2.gz SLTXMLPGWIHVNN-GSCBBHAMSA-N 1 2 394.306 2.171 20 0 GEADLO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC[S@]1=O ZINC000429599627 532481152 /nfs/dbraw/zinc/48/11/52/532481152.db2.gz SLTXMLPGWIHVNN-GSCBBHAMSA-N 1 2 394.306 2.171 20 0 GEADLO Cn1ncc2c1nc[nH+]c2SCC(=O)NCCOc1ccc(Cl)cc1 ZINC000198655241 532481278 /nfs/dbraw/zinc/48/12/78/532481278.db2.gz IBXNXMFFXVUUNQ-UHFFFAOYSA-N 1 2 377.857 2.304 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)CCOc1ccccc1I ZINC000468893235 532481281 /nfs/dbraw/zinc/48/12/81/532481281.db2.gz HOXPXAGOEITCBW-UHFFFAOYSA-N 1 2 385.205 2.110 20 0 GEADLO COCCCNC(=O)C[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000198742907 532482014 /nfs/dbraw/zinc/48/20/14/532482014.db2.gz IPGXJEULJYVPDW-GFCCVEGCSA-N 1 2 390.311 2.255 20 0 GEADLO COCCCNC(=O)C[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000198742907 532482020 /nfs/dbraw/zinc/48/20/20/532482020.db2.gz IPGXJEULJYVPDW-GFCCVEGCSA-N 1 2 390.311 2.255 20 0 GEADLO CCc1cc(N)nc(S[C@@H]2CCN(S(=O)(=O)c3ccc(C)cc3)C2)[nH+]1 ZINC000629178729 532482507 /nfs/dbraw/zinc/48/25/07/532482507.db2.gz HWAFXWPBCAJXSL-CQSZACIVSA-N 1 2 378.523 2.485 20 0 GEADLO CN1CC[NH+](CCCCNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000684760863 532482733 /nfs/dbraw/zinc/48/27/33/532482733.db2.gz AXEIUVCOFYFDEN-UHFFFAOYSA-N 1 2 398.331 2.438 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)c1cc(I)ccc1O ZINC000219392931 532483463 /nfs/dbraw/zinc/48/34/63/532483463.db2.gz MSNQIWDXXOTRRC-UHFFFAOYSA-N 1 2 385.205 2.404 20 0 GEADLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](C)O2 ZINC000374019396 532484733 /nfs/dbraw/zinc/48/47/33/532484733.db2.gz SLGOFRZIJLFWNZ-IIYDPXPESA-N 1 2 398.301 2.441 20 0 GEADLO C[C@@H]1C[C@]2(CCO1)C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](C)O2 ZINC000374019396 532484739 /nfs/dbraw/zinc/48/47/39/532484739.db2.gz SLGOFRZIJLFWNZ-IIYDPXPESA-N 1 2 398.301 2.441 20 0 GEADLO COC(=O)CCNC(=O)C[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000520173514 532484988 /nfs/dbraw/zinc/48/49/88/532484988.db2.gz NWCXJZPNBXXGJS-UHFFFAOYSA-N 1 2 389.265 2.478 20 0 GEADLO COC(=O)CCNC(=O)C[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000520173514 532484990 /nfs/dbraw/zinc/48/49/90/532484990.db2.gz NWCXJZPNBXXGJS-UHFFFAOYSA-N 1 2 389.265 2.478 20 0 GEADLO Cn1cc[nH+]c1CN1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000469024348 532486479 /nfs/dbraw/zinc/48/64/79/532486479.db2.gz POAWGHHSZZIIHB-UHFFFAOYSA-N 1 2 381.249 2.280 20 0 GEADLO Cn1cc[nH+]c1[C@H]1N(C(=O)CNC(=O)c2ccc(Br)o2)CC1(C)C ZINC000295909987 532486597 /nfs/dbraw/zinc/48/65/97/532486597.db2.gz NYGORNDRQYHZLU-CYBMUJFWSA-N 1 2 395.257 2.115 20 0 GEADLO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CSc2n[nH]c(=S)s2)C[C@@H](C)O1 ZINC000374095843 532489262 /nfs/dbraw/zinc/48/92/62/532489262.db2.gz VZBWEAANNOZAQB-IJLUTSLNSA-N 1 2 388.584 2.019 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000469192621 532496085 /nfs/dbraw/zinc/49/60/85/532496085.db2.gz XJSVDIYMWDVLTL-ZDUSSCGKSA-N 1 2 390.933 2.468 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000469192621 532496090 /nfs/dbraw/zinc/49/60/90/532496090.db2.gz XJSVDIYMWDVLTL-ZDUSSCGKSA-N 1 2 390.933 2.468 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)[C@H](C(N)=O)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000195302309 532474338 /nfs/dbraw/zinc/47/43/38/532474338.db2.gz ICIJJQCYYDETMI-ZENOOKHLSA-N 1 2 384.318 2.017 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)[C@H](C(N)=O)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000195302309 532474345 /nfs/dbraw/zinc/47/43/45/532474345.db2.gz ICIJJQCYYDETMI-ZENOOKHLSA-N 1 2 384.318 2.017 20 0 GEADLO C[C@@H]1CN(CC[N@H+](C)[C@H](C(N)=O)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000195302309 532474351 /nfs/dbraw/zinc/47/43/51/532474351.db2.gz ICIJJQCYYDETMI-ZENOOKHLSA-N 1 2 384.318 2.017 20 0 GEADLO C[C@@H]1CN(CC[N@@H+](C)[C@H](C(N)=O)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000195302309 532474356 /nfs/dbraw/zinc/47/43/56/532474356.db2.gz ICIJJQCYYDETMI-ZENOOKHLSA-N 1 2 384.318 2.017 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Br)cc(Br)c1 ZINC000628920921 532476039 /nfs/dbraw/zinc/47/60/39/532476039.db2.gz ZIPYZUWGTUGVCQ-LBPRGKRZSA-N 1 2 392.091 2.272 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Br)cc(Br)c1 ZINC000628920921 532476046 /nfs/dbraw/zinc/47/60/46/532476046.db2.gz ZIPYZUWGTUGVCQ-LBPRGKRZSA-N 1 2 392.091 2.272 20 0 GEADLO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)NCCF)nnn1-c1cccc(Br)c1 ZINC000282898617 532504303 /nfs/dbraw/zinc/50/43/03/532504303.db2.gz WQILOUCHTDLMMF-WDEREUQCSA-N 1 2 398.280 2.463 20 0 GEADLO CCS(=O)(=O)CC[NH2+]Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl ZINC000282888107 532504562 /nfs/dbraw/zinc/50/45/62/532504562.db2.gz XOYYNOUFTXFJDF-UHFFFAOYSA-N 1 2 384.933 2.424 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000521069730 532504867 /nfs/dbraw/zinc/50/48/67/532504867.db2.gz RSTFKVDBXDJOLK-UHFFFAOYSA-N 1 2 395.294 2.312 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CCOCC(F)(F)F)c1ccccc1 ZINC000521062693 532505100 /nfs/dbraw/zinc/50/51/00/532505100.db2.gz YZSXUZLLMMWOMP-ZDUSSCGKSA-N 1 2 377.388 2.008 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c(=O)n1C ZINC000469609969 532507516 /nfs/dbraw/zinc/50/75/16/532507516.db2.gz WFMKDMGZRPKKHU-ZDUSSCGKSA-N 1 2 392.253 2.145 20 0 GEADLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CC(=O)NCc2ccc(Cl)s2)O1 ZINC000374570431 532511425 /nfs/dbraw/zinc/51/14/25/532511425.db2.gz CEEKJMWNYMQTEB-ZRJCITRHSA-N 1 2 386.901 2.201 20 0 GEADLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CC(=O)NCc2ccc(Cl)s2)O1 ZINC000374570431 532511430 /nfs/dbraw/zinc/51/14/30/532511430.db2.gz CEEKJMWNYMQTEB-ZRJCITRHSA-N 1 2 386.901 2.201 20 0 GEADLO Nc1ccc(NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)c[nH+]1 ZINC000237996626 532514454 /nfs/dbraw/zinc/51/44/54/532514454.db2.gz HLFWKKTVPMDQNJ-NSHDSACASA-N 1 2 375.226 2.418 20 0 GEADLO COC(=O)c1cc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c(C)o1 ZINC000594611970 532515107 /nfs/dbraw/zinc/51/51/07/532515107.db2.gz DUAGKMCBFBRZMR-AWEZNQCLSA-N 1 2 381.226 2.453 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000630396928 532515475 /nfs/dbraw/zinc/51/54/75/532515475.db2.gz SGSPXQPFLBNKCD-BXUZGUMPSA-N 1 2 394.324 2.082 20 0 GEADLO Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000521861056 532519261 /nfs/dbraw/zinc/51/92/61/532519261.db2.gz XVJSQMHSCSJAHJ-OAHLLOKOSA-N 1 2 382.511 2.119 20 0 GEADLO CC[C@@H](Cc1ccccc1Br)NC(=O)NCC[NH+]1CCOCC1 ZINC000469990940 532516704 /nfs/dbraw/zinc/51/67/04/532516704.db2.gz MILGMVZHDNUUFV-HNNXBMFYSA-N 1 2 384.318 2.402 20 0 GEADLO O=S(=O)(C1CCC(C(F)(F)F)CC1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000521625778 532517577 /nfs/dbraw/zinc/51/75/77/532517577.db2.gz NFEUNBVJUHMHKQ-YMAMQOFZSA-N 1 2 377.432 2.479 20 0 GEADLO C[C@@H](C(=O)N1CC(Cc2ccccc2Br)C1)[NH+]1CCN(C)CC1 ZINC000629607964 532497573 /nfs/dbraw/zinc/49/75/73/532497573.db2.gz TWJYUOKKUAHIGV-AWEZNQCLSA-N 1 2 380.330 2.086 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)c(F)cc1O ZINC000296068518 532498030 /nfs/dbraw/zinc/49/80/30/532498030.db2.gz GLRODLVNFTTZIU-SNVBAGLBSA-N 1 2 375.238 2.087 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)ccc1Cl ZINC000374367900 532499461 /nfs/dbraw/zinc/49/94/61/532499461.db2.gz SHBVLORITNDKQK-NSHDSACASA-N 1 2 383.857 2.038 20 0 GEADLO O=C(N1CC[NH2+][C@@H](c2cccnc2)C1)C1(c2cncc(Br)c2)CC1 ZINC000374375957 532499643 /nfs/dbraw/zinc/49/96/43/532499643.db2.gz VCRUIUSQDUWYJJ-MRXNPFEDSA-N 1 2 387.281 2.444 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374406316 532500345 /nfs/dbraw/zinc/50/03/45/532500345.db2.gz ZPAJDFYUUFDLFP-GFCCVEGCSA-N 1 2 383.905 2.175 20 0 GEADLO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282829564 532500612 /nfs/dbraw/zinc/50/06/12/532500612.db2.gz VFTUQMKIWMZONU-GFCCVEGCSA-N 1 2 394.324 2.121 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C(F)(F)F)n1 ZINC000296772664 532540326 /nfs/dbraw/zinc/54/03/26/532540326.db2.gz BMFFBQMSEKAQBC-NSHDSACASA-N 1 2 380.436 2.465 20 0 GEADLO Cc1cc(NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)n[nH]1 ZINC000653698479 532540965 /nfs/dbraw/zinc/54/09/65/532540965.db2.gz DWETYWSKQWUYGI-UHFFFAOYSA-N 1 2 381.234 2.356 20 0 GEADLO CCn1nc2c(cc1=O)C[N@@H+](Cc1cccc(I)c1)CC2 ZINC000375270098 532545528 /nfs/dbraw/zinc/54/55/28/532545528.db2.gz SXOVKZMIHFHFEW-UHFFFAOYSA-N 1 2 395.244 2.426 20 0 GEADLO O=C(NCC[C@H]1CCCO1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000653698515 532541348 /nfs/dbraw/zinc/54/13/48/532541348.db2.gz LIBYIOHILACCFZ-GFCCVEGCSA-N 1 2 399.289 2.371 20 0 GEADLO CCn1nc2c(cc1=O)C[N@H+](Cc1cccc(I)c1)CC2 ZINC000375270098 532545534 /nfs/dbraw/zinc/54/55/34/532545534.db2.gz SXOVKZMIHFHFEW-UHFFFAOYSA-N 1 2 395.244 2.426 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(Br)ccc3OC)C2)nn1 ZINC000375196277 532542762 /nfs/dbraw/zinc/54/27/62/532542762.db2.gz GXGCZLZFZUDMRZ-CYBMUJFWSA-N 1 2 395.257 2.283 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(Br)ccc3OC)C2)nn1 ZINC000375196277 532542769 /nfs/dbraw/zinc/54/27/69/532542769.db2.gz GXGCZLZFZUDMRZ-CYBMUJFWSA-N 1 2 395.257 2.283 20 0 GEADLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246670124 532543424 /nfs/dbraw/zinc/54/34/24/532543424.db2.gz QJCAJNZULIWPPH-CVEARBPZSA-N 1 2 384.318 2.389 20 0 GEADLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246670124 532543428 /nfs/dbraw/zinc/54/34/28/532543428.db2.gz QJCAJNZULIWPPH-CVEARBPZSA-N 1 2 384.318 2.389 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246912621 532544123 /nfs/dbraw/zinc/54/41/23/532544123.db2.gz IJWVYFPKJCOKCN-ZQIUZPCESA-N 1 2 397.313 2.396 20 0 GEADLO C[C@](CO)([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1ccc(Br)cc1 ZINC000631133537 532544336 /nfs/dbraw/zinc/54/43/36/532544336.db2.gz KCLSJCXQEFWFGI-CXAGYDPISA-N 1 2 395.301 2.074 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000630443605 532519773 /nfs/dbraw/zinc/51/97/73/532519773.db2.gz CSCSATQIJCUJIJ-LLVKDONJSA-N 1 2 379.265 2.082 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000243360917 532520194 /nfs/dbraw/zinc/52/01/94/532520194.db2.gz MAHAEZHJBGAASR-UHFFFAOYSA-N 1 2 387.311 2.157 20 0 GEADLO CCS(=O)(=O)C[C@H](C)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296407374 532520324 /nfs/dbraw/zinc/52/03/24/532520324.db2.gz KVDOFJBAJYBCAX-LBPRGKRZSA-N 1 2 384.889 2.148 20 0 GEADLO C[N@@H+]1CCN(C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C(=O)C1 ZINC000374842512 532520563 /nfs/dbraw/zinc/52/05/63/532520563.db2.gz SRBKBSOFWAAQTI-UHFFFAOYSA-N 1 2 376.810 2.497 20 0 GEADLO C[N@H+]1CCN(C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C(=O)C1 ZINC000374842512 532520567 /nfs/dbraw/zinc/52/05/67/532520567.db2.gz SRBKBSOFWAAQTI-UHFFFAOYSA-N 1 2 376.810 2.497 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000283149061 532521203 /nfs/dbraw/zinc/52/12/03/532521203.db2.gz FEFIFDYGGQVTQW-CQSZACIVSA-N 1 2 378.885 2.396 20 0 GEADLO O=C([C@H]1CC12CCS(=O)(=O)CC2)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374862183 532521953 /nfs/dbraw/zinc/52/19/53/532521953.db2.gz JUHRVAQGMSFGSE-GDBMZVCRSA-N 1 2 382.913 2.028 20 0 GEADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)CSCC(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245565376 532522309 /nfs/dbraw/zinc/52/23/09/532522309.db2.gz PEUKEBPXOORKKS-RHSMWYFYSA-N 1 2 387.908 2.338 20 0 GEADLO CC(C)[N@H+]1CC[C@@H](NC(=O)CSCC(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245565376 532522312 /nfs/dbraw/zinc/52/23/12/532522312.db2.gz PEUKEBPXOORKKS-RHSMWYFYSA-N 1 2 387.908 2.338 20 0 GEADLO CCCS(=O)(=O)CC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245732551 532522893 /nfs/dbraw/zinc/52/28/93/532522893.db2.gz UBYPTTLFEJSCNL-DYVFJYSZSA-N 1 2 390.908 2.413 20 0 GEADLO CCCS(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245732551 532522901 /nfs/dbraw/zinc/52/29/01/532522901.db2.gz UBYPTTLFEJSCNL-DYVFJYSZSA-N 1 2 390.908 2.413 20 0 GEADLO COC(=O)[C@H](NCc1c[nH+]c2c(C)cc(Br)cn12)c1ccn(C)n1 ZINC000470244695 532524509 /nfs/dbraw/zinc/52/45/09/532524509.db2.gz CHDZISCKSGIMCX-CQSZACIVSA-N 1 2 392.257 2.143 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000283201955 532525428 /nfs/dbraw/zinc/52/54/28/532525428.db2.gz RMBGPJDJVGBTBC-UHFFFAOYSA-N 1 2 381.270 2.338 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)CC2(CS(C)(=O)=O)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000245931172 532527709 /nfs/dbraw/zinc/52/77/09/532527709.db2.gz UVMUTNOGTCVHIV-DOTOQJQBSA-N 1 2 384.929 2.416 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)CC2(CS(C)(=O)=O)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000245931172 532527715 /nfs/dbraw/zinc/52/77/15/532527715.db2.gz UVMUTNOGTCVHIV-DOTOQJQBSA-N 1 2 384.929 2.416 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2COc3ccc(Br)cc32)CCO1 ZINC000470454040 532528435 /nfs/dbraw/zinc/52/84/35/532528435.db2.gz SCNGTPWSSFEARK-UKRRQHHQSA-N 1 2 383.286 2.152 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2COc3ccc(Br)cc32)CCO1 ZINC000470454040 532528442 /nfs/dbraw/zinc/52/84/42/532528442.db2.gz SCNGTPWSSFEARK-UKRRQHHQSA-N 1 2 383.286 2.152 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000246075226 532530427 /nfs/dbraw/zinc/53/04/27/532530427.db2.gz FITFVCZOPKZGAD-AAEUAGOBSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@H+]1C[C@H](C)O ZINC000246075226 532530435 /nfs/dbraw/zinc/53/04/35/532530435.db2.gz FITFVCZOPKZGAD-AAEUAGOBSA-N 1 2 381.325 2.459 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000594804330 532531288 /nfs/dbraw/zinc/53/12/88/532531288.db2.gz WYQWYJFHOFKMJN-UHFFFAOYSA-N 1 2 381.479 2.008 20 0 GEADLO CC(C)(C(=O)N1CCOc2ccc(Br)cc2C1)[NH+]1CCOCC1 ZINC000283352722 532534356 /nfs/dbraw/zinc/53/43/56/532534356.db2.gz BPEMVNKNHBGBPY-UHFFFAOYSA-N 1 2 383.286 2.281 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cc3ccc(I)cc3)CC2)cn1 ZINC000525784529 532534758 /nfs/dbraw/zinc/53/47/58/532534758.db2.gz CHRUEPDFZPDGCI-UHFFFAOYSA-N 1 2 396.276 2.343 20 0 GEADLO Cc1ncsc1-c1nc(CS(=O)(=O)Cc2cn3ccccc3[nH+]2)no1 ZINC000471516404 532552434 /nfs/dbraw/zinc/55/24/34/532552434.db2.gz ZKBCMFIKDMWKGD-UHFFFAOYSA-N 1 2 375.435 2.264 20 0 GEADLO C[C@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1ncc(Br)cn1 ZINC000432997203 532552575 /nfs/dbraw/zinc/55/25/75/532552575.db2.gz WNEWNUNNERIOMG-VIFPVBQESA-N 1 2 385.212 2.484 20 0 GEADLO CCN1C[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1=O ZINC000565287543 532554821 /nfs/dbraw/zinc/55/48/21/532554821.db2.gz KTRZPRHXAQXGOC-NVXWUHKLSA-N 1 2 394.313 2.323 20 0 GEADLO O=C(CS(=O)(=O)Cc1ccc(Cl)s1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654306036 532556482 /nfs/dbraw/zinc/55/64/82/532556482.db2.gz ZJNOXRRTQLQMLU-ZIAGYGMSSA-N 1 2 390.958 2.449 20 0 GEADLO O=C(CS(=O)(=O)Cc1ccc(Cl)s1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654306036 532556487 /nfs/dbraw/zinc/55/64/87/532556487.db2.gz ZJNOXRRTQLQMLU-ZIAGYGMSSA-N 1 2 390.958 2.449 20 0 GEADLO C[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC[S@@](=O)C1 ZINC000433244571 532559838 /nfs/dbraw/zinc/55/98/38/532559838.db2.gz GCWSGRNDDKSSAD-GSCBBHAMSA-N 1 2 394.306 2.028 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC[S@@](=O)C1 ZINC000433244571 532559843 /nfs/dbraw/zinc/55/98/43/532559843.db2.gz GCWSGRNDDKSSAD-GSCBBHAMSA-N 1 2 394.306 2.028 20 0 GEADLO O=C(NCc1[nH]cc[nH+]1)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000433489510 532570022 /nfs/dbraw/zinc/57/00/22/532570022.db2.gz YOSGSLOLXMUBKH-UHFFFAOYSA-N 1 2 379.243 3.012 20 0 GEADLO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Br)cc(Cl)c2O)CC1 ZINC000375506099 532563223 /nfs/dbraw/zinc/56/32/23/532563223.db2.gz CMGSZYDAJHRTGI-SNVBAGLBSA-N 1 2 391.693 2.337 20 0 GEADLO C[C@H](CO)[N@H+]1CCCN(C(=O)c2cc(Br)cc(Cl)c2O)CC1 ZINC000375506099 532563227 /nfs/dbraw/zinc/56/32/27/532563227.db2.gz CMGSZYDAJHRTGI-SNVBAGLBSA-N 1 2 391.693 2.337 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000433356961 532564540 /nfs/dbraw/zinc/56/45/40/532564540.db2.gz VWERERFCYMWTDX-CYBMUJFWSA-N 1 2 380.432 2.188 20 0 GEADLO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000433358593 532564548 /nfs/dbraw/zinc/56/45/48/532564548.db2.gz CCTRTBAFDJMMTK-VXGBXAGGSA-N 1 2 386.901 2.470 20 0 GEADLO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000433358593 532564551 /nfs/dbraw/zinc/56/45/51/532564551.db2.gz CCTRTBAFDJMMTK-VXGBXAGGSA-N 1 2 386.901 2.470 20 0 GEADLO CO[C@@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1Br ZINC000654704188 532565673 /nfs/dbraw/zinc/56/56/73/532565673.db2.gz SUMBEHVGWVMCQE-OAHLLOKOSA-N 1 2 385.302 2.364 20 0 GEADLO CO[C@@H](C(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1Br ZINC000654704188 532565677 /nfs/dbraw/zinc/56/56/77/532565677.db2.gz SUMBEHVGWVMCQE-OAHLLOKOSA-N 1 2 385.302 2.364 20 0 GEADLO O=S1(=O)CCC(C[NH+]2CCN(c3cccc(Br)c3)CC2)CC1 ZINC000283907127 532565952 /nfs/dbraw/zinc/56/59/52/532565952.db2.gz ABZFDSXJESXHAJ-UHFFFAOYSA-N 1 2 387.343 2.396 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2cnc3ccsc3c2)CC1 ZINC000528534036 532570168 /nfs/dbraw/zinc/57/01/68/532570168.db2.gz CUMLHZXRGZRECL-UHFFFAOYSA-N 1 2 381.523 2.172 20 0 GEADLO Cc1ccc([C@@H]([NH2+]Cc2coc(S(C)(=O)=O)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000528490197 532566925 /nfs/dbraw/zinc/56/69/25/532566925.db2.gz SRCVWCZEOKIGHV-GUYCJALGSA-N 1 2 385.507 2.256 20 0 GEADLO Cc1csc([C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C(F)(F)F)n1 ZINC000297143322 532568616 /nfs/dbraw/zinc/56/86/16/532568616.db2.gz RUSUQDHJFNYYBI-LLVKDONJSA-N 1 2 380.436 2.465 20 0 GEADLO Cc1csc([C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C(F)(F)F)n1 ZINC000297143322 532568618 /nfs/dbraw/zinc/56/86/18/532568618.db2.gz RUSUQDHJFNYYBI-LLVKDONJSA-N 1 2 380.436 2.465 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H]2CNS(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000528501430 532568628 /nfs/dbraw/zinc/56/86/28/532568628.db2.gz MAOXPDDSLIPFSC-HNNXBMFYSA-N 1 2 381.885 2.296 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H]2CNS(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000528501430 532568637 /nfs/dbraw/zinc/56/86/37/532568637.db2.gz MAOXPDDSLIPFSC-HNNXBMFYSA-N 1 2 381.885 2.296 20 0 GEADLO O=S1(=O)CCC[C@H](C[NH+]2CCN(Cc3nc4ccccc4s3)CC2)C1 ZINC000283942980 532569052 /nfs/dbraw/zinc/56/90/52/532569052.db2.gz DEJFARMMZIMMJY-OAHLLOKOSA-N 1 2 379.551 2.239 20 0 GEADLO Cc1ncc2c(n1)CC[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000527127895 532546110 /nfs/dbraw/zinc/54/61/10/532546110.db2.gz RZBVMTIIURLPMR-OAHLLOKOSA-N 1 2 396.260 2.485 20 0 GEADLO Cc1ncc2c(n1)CC[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000527127895 532546117 /nfs/dbraw/zinc/54/61/17/532546117.db2.gz RZBVMTIIURLPMR-OAHLLOKOSA-N 1 2 396.260 2.485 20 0 GEADLO Cc1csc([C@@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C(F)(F)F)n1 ZINC000296831779 532546726 /nfs/dbraw/zinc/54/67/26/532546726.db2.gz DVEGGPJQWBDOOA-LLVKDONJSA-N 1 2 378.420 2.219 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000296829453 532546898 /nfs/dbraw/zinc/54/68/98/532546898.db2.gz WJEPERVPGXRMLD-UHFFFAOYSA-N 1 2 385.580 2.246 20 0 GEADLO Cc1c(C[NH2+]Cc2c(Br)cnn2C)c(=O)n(-c2ccccc2)n1C ZINC000631210011 532548125 /nfs/dbraw/zinc/54/81/25/532548125.db2.gz SLIBRVUSCJVVBZ-UHFFFAOYSA-N 1 2 390.285 2.270 20 0 GEADLO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]Cc1n[nH]cc1Br ZINC000527282853 532548330 /nfs/dbraw/zinc/54/83/30/532548330.db2.gz CUYXFBVXHFOYSO-JTQLQIEISA-N 1 2 387.303 2.287 20 0 GEADLO O=C(N[C@H](CO)c1c(Cl)cccc1Cl)c1ccc(-n2cc[nH+]c2)nn1 ZINC000527277924 532548492 /nfs/dbraw/zinc/54/84/92/532548492.db2.gz RAHDWJUWKVPXLQ-CYBMUJFWSA-N 1 2 378.219 2.433 20 0 GEADLO Cc1c(I)cccc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000471302225 532548624 /nfs/dbraw/zinc/54/86/24/532548624.db2.gz ACPKBMJFEMYPTL-LLVKDONJSA-N 1 2 388.249 2.050 20 0 GEADLO Cc1c(I)cccc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000471302225 532548627 /nfs/dbraw/zinc/54/86/27/532548627.db2.gz ACPKBMJFEMYPTL-LLVKDONJSA-N 1 2 388.249 2.050 20 0 GEADLO C[C@H](O)CN(C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC1 ZINC000654106623 532549436 /nfs/dbraw/zinc/54/94/36/532549436.db2.gz NMXWIEUDRVDBTO-NSHDSACASA-N 1 2 399.289 2.058 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cscc2Br)C1 ZINC000632146164 532582452 /nfs/dbraw/zinc/58/24/52/532582452.db2.gz WTWXTTKMQISKPD-SECBINFHSA-N 1 2 376.301 2.422 20 0 GEADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)sc1Cl ZINC000262076805 532583904 /nfs/dbraw/zinc/58/39/04/532583904.db2.gz SRTWBSAMBRMNOY-MRVPVSSYSA-N 1 2 381.310 2.124 20 0 GEADLO COC(=O)[C@H](NCC[N@@H+]1C[C@H](C)OC[C@H]1C)c1ccccc1Br ZINC000596046839 532584269 /nfs/dbraw/zinc/58/42/69/532584269.db2.gz SDOKPTGEUAOZMM-DVOMOZLQSA-N 1 2 385.302 2.362 20 0 GEADLO COC(=O)[C@H](NCC[N@H+]1C[C@H](C)OC[C@H]1C)c1ccccc1Br ZINC000596046839 532584275 /nfs/dbraw/zinc/58/42/75/532584275.db2.gz SDOKPTGEUAOZMM-DVOMOZLQSA-N 1 2 385.302 2.362 20 0 GEADLO CN(CC[NH+]1CCOCC1)Cc1c(Br)cncc1Br ZINC000284304765 532585586 /nfs/dbraw/zinc/58/55/86/532585586.db2.gz VIUJUNAEGJEXBQ-UHFFFAOYSA-N 1 2 393.123 2.371 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@@H]21 ZINC000284320226 532586160 /nfs/dbraw/zinc/58/61/60/532586160.db2.gz BCQXIDDPJPFSEP-GJZGRUSLSA-N 1 2 383.279 2.115 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@@H]21 ZINC000284320226 532586165 /nfs/dbraw/zinc/58/61/65/532586165.db2.gz BCQXIDDPJPFSEP-GJZGRUSLSA-N 1 2 383.279 2.115 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)Cc1ncsc1Br ZINC000632181023 532586356 /nfs/dbraw/zinc/58/63/56/532586356.db2.gz SEGCLHNIOMPBGY-UHFFFAOYSA-N 1 2 393.332 2.378 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@@H]21 ZINC000284320238 532586809 /nfs/dbraw/zinc/58/68/09/532586809.db2.gz BCQXIDDPJPFSEP-LSDHHAIUSA-N 1 2 383.279 2.115 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@@H]21 ZINC000284320238 532586812 /nfs/dbraw/zinc/58/68/12/532586812.db2.gz BCQXIDDPJPFSEP-LSDHHAIUSA-N 1 2 383.279 2.115 20 0 GEADLO O=C(NCCC[NH2+]C1CC1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000566010833 532587251 /nfs/dbraw/zinc/58/72/51/532587251.db2.gz BXZIJXWFVNKFGI-UHFFFAOYSA-N 1 2 379.507 2.421 20 0 GEADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)CCC(F)(F)F ZINC000284344581 532588254 /nfs/dbraw/zinc/58/82/54/532588254.db2.gz PSZRUWYTFFTESR-UHFFFAOYSA-N 1 2 379.448 2.023 20 0 GEADLO COC[C@@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@H]1CCCO1 ZINC000434265222 532590687 /nfs/dbraw/zinc/59/06/87/532590687.db2.gz UOWHXFXFOLUFEB-ZIAGYGMSSA-N 1 2 397.273 2.090 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH+]1CC(C(C)(C)O)C1 ZINC000297515346 532593904 /nfs/dbraw/zinc/59/39/04/532593904.db2.gz XQEFEGALXYPCNT-LLVKDONJSA-N 1 2 385.302 2.165 20 0 GEADLO C[C@@H]([NH2+]Cc1ncc(Br)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000434489763 532594801 /nfs/dbraw/zinc/59/48/01/532594801.db2.gz UZZUQTMHPHKEAC-MRVPVSSYSA-N 1 2 376.301 2.404 20 0 GEADLO OCC1(O)CC[NH+](Cc2ccc(I)c(Cl)c2)CC1 ZINC000595731902 532572042 /nfs/dbraw/zinc/57/20/42/532572042.db2.gz IIABYQJTUCJJEA-UHFFFAOYSA-N 1 2 381.641 2.264 20 0 GEADLO COCC[N@@H+](Cc1cc(Br)cs1)C[C@H]1CCS(=O)(=O)C1 ZINC000434507025 532595285 /nfs/dbraw/zinc/59/52/85/532595285.db2.gz XUZXKFVLFLFNKD-LLVKDONJSA-N 1 2 382.345 2.394 20 0 GEADLO COCC[N@H+](Cc1cc(Br)cs1)C[C@H]1CCS(=O)(=O)C1 ZINC000434507025 532595291 /nfs/dbraw/zinc/59/52/91/532595291.db2.gz XUZXKFVLFLFNKD-LLVKDONJSA-N 1 2 382.345 2.394 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(I)cc2)C1 ZINC000595823922 532575318 /nfs/dbraw/zinc/57/53/18/532575318.db2.gz URQVWZXLKIWRMH-CQSZACIVSA-N 1 2 387.265 2.479 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000595823922 532575322 /nfs/dbraw/zinc/57/53/22/532575322.db2.gz URQVWZXLKIWRMH-CQSZACIVSA-N 1 2 387.265 2.479 20 0 GEADLO Cn1ccnc1[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(Cl)cc1 ZINC000565757879 532576213 /nfs/dbraw/zinc/57/62/13/532576213.db2.gz RUJZYHXLMNLAGO-OAHLLOKOSA-N 1 2 384.933 2.470 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)o1 ZINC000261669344 532576747 /nfs/dbraw/zinc/57/67/47/532576747.db2.gz IWIMJMDOCAXMLY-CYBMUJFWSA-N 1 2 384.841 2.055 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000375721951 532579267 /nfs/dbraw/zinc/57/92/67/532579267.db2.gz HGIAVRAKCQPQGX-NSHDSACASA-N 1 2 388.287 2.104 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000375721951 532579271 /nfs/dbraw/zinc/57/92/71/532579271.db2.gz HGIAVRAKCQPQGX-NSHDSACASA-N 1 2 388.287 2.104 20 0 GEADLO Cc1cc(C[NH+]2CCC(N(C)S(=O)(=O)c3sc(C)nc3C)CC2)on1 ZINC000376519752 532615657 /nfs/dbraw/zinc/61/56/57/532615657.db2.gz ZLRNEDBWROROCR-UHFFFAOYSA-N 1 2 384.527 2.341 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000632501945 532615826 /nfs/dbraw/zinc/61/58/26/532615826.db2.gz QRKVRWJWVZZCOA-JKSUJKDBSA-N 1 2 388.917 2.126 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)CCc2cccc(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000632501400 532615863 /nfs/dbraw/zinc/61/58/63/532615863.db2.gz BKGBYTZYBUQDJW-IAGOWNOFSA-N 1 2 386.945 2.301 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2ccc(Cl)c(F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632502041 532616108 /nfs/dbraw/zinc/61/61/08/532616108.db2.gz JHVXTTUBNZBMDB-CABCVRRESA-N 1 2 376.881 2.257 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000435428492 532616585 /nfs/dbraw/zinc/61/65/85/532616585.db2.gz SFZWWCVIHUTFSV-XJKSGUPXSA-N 1 2 393.336 2.491 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)CCc2ccccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000632503125 532616681 /nfs/dbraw/zinc/61/66/81/532616681.db2.gz VSRFIGABWYPBAE-SJORKVTESA-N 1 2 386.945 2.301 20 0 GEADLO CCCCN(CCCC)S(=O)(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000632502926 532617923 /nfs/dbraw/zinc/61/79/23/532617923.db2.gz ZNKXCCDJPNESRF-SJORKVTESA-N 1 2 375.579 2.222 20 0 GEADLO O=C(C[NH+]1CCN(c2cccc(Br)c2)CC1)NCc1cccnc1 ZINC000284763566 532618110 /nfs/dbraw/zinc/61/81/10/532618110.db2.gz MJTYSXKGRHEJIM-UHFFFAOYSA-N 1 2 389.297 2.283 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)CCO1 ZINC000530421849 532619551 /nfs/dbraw/zinc/61/95/51/532619551.db2.gz LPWHNCMQDZHGQH-NSHDSACASA-N 1 2 384.267 2.025 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)CCO1 ZINC000530421849 532619554 /nfs/dbraw/zinc/61/95/54/532619554.db2.gz LPWHNCMQDZHGQH-NSHDSACASA-N 1 2 384.267 2.025 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000376612225 532620322 /nfs/dbraw/zinc/62/03/22/532620322.db2.gz LIVYGGOFAGINDT-YPMHNXCESA-N 1 2 379.511 2.015 20 0 GEADLO CSc1ccc([C@H](CNC(=O)NCCS(=O)(=O)C(C)C)[NH+](C)C)cc1 ZINC000298038447 532620628 /nfs/dbraw/zinc/62/06/28/532620628.db2.gz RMDYYHZMSUROMA-INIZCTEOSA-N 1 2 387.571 2.134 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)C1 ZINC000376135272 532597093 /nfs/dbraw/zinc/59/70/93/532597093.db2.gz QRQOBMSFXQUJPL-QGPMSJSTSA-N 1 2 379.298 2.100 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)C1 ZINC000376135272 532597098 /nfs/dbraw/zinc/59/70/98/532597098.db2.gz QRQOBMSFXQUJPL-QGPMSJSTSA-N 1 2 379.298 2.100 20 0 GEADLO COC(=O)CN(CCc1cccc(Cl)c1Cl)CC[NH+]1CCOCC1 ZINC000434543934 532597127 /nfs/dbraw/zinc/59/71/27/532597127.db2.gz UHEFTTCUDLDYNB-UHFFFAOYSA-N 1 2 375.296 2.343 20 0 GEADLO Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632282311 532597455 /nfs/dbraw/zinc/59/74/55/532597455.db2.gz YGLWCFVJAGUIFO-HIFRSBDPSA-N 1 2 380.432 2.239 20 0 GEADLO Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632282311 532597460 /nfs/dbraw/zinc/59/74/60/532597460.db2.gz YGLWCFVJAGUIFO-HIFRSBDPSA-N 1 2 380.432 2.239 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](Cc2cccc(I)c2)C2CC2)C1 ZINC000284521106 532597599 /nfs/dbraw/zinc/59/75/99/532597599.db2.gz ZBZKDCMRRIGDKI-AWEZNQCLSA-N 1 2 391.274 2.443 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](Cc2cccc(I)c2)C2CC2)C1 ZINC000284521106 532597602 /nfs/dbraw/zinc/59/76/02/532597602.db2.gz ZBZKDCMRRIGDKI-AWEZNQCLSA-N 1 2 391.274 2.443 20 0 GEADLO O=c1[nH]c2ccc(S(=O)(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2s1 ZINC000632289465 532598554 /nfs/dbraw/zinc/59/85/54/532598554.db2.gz VHFMJNPEXSWBDP-GFCCVEGCSA-N 1 2 377.447 2.239 20 0 GEADLO C[C@H]1[NH2+]CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)[C@H]1C ZINC000262772444 532599517 /nfs/dbraw/zinc/59/95/17/532599517.db2.gz KGCUOPQUAPYRTN-OLZOCXBDSA-N 1 2 379.507 2.371 20 0 GEADLO CC(C)(C)c1csc(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1 ZINC000376178575 532600373 /nfs/dbraw/zinc/60/03/73/532600373.db2.gz RVEIDLKAQZQGMR-AWEZNQCLSA-N 1 2 387.571 2.067 20 0 GEADLO CC(C)(C)c1csc(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1 ZINC000376178575 532600378 /nfs/dbraw/zinc/60/03/78/532600378.db2.gz RVEIDLKAQZQGMR-AWEZNQCLSA-N 1 2 387.571 2.067 20 0 GEADLO CC(C)(C)N1CC[C@@H]([NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)C1=O ZINC000566240575 532601939 /nfs/dbraw/zinc/60/19/39/532601939.db2.gz HGTUNRYLWIWKMS-OLZOCXBDSA-N 1 2 386.265 2.104 20 0 GEADLO C[C@H](CNC(=O)c1nc(C2CC2)ncc1Br)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655906187 532602009 /nfs/dbraw/zinc/60/20/09/532602009.db2.gz AMDFXDSLYKUFMS-UTUOFQBUSA-N 1 2 397.317 2.344 20 0 GEADLO C[C@H](CNC(=O)c1nc(C2CC2)ncc1Br)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655906187 532602012 /nfs/dbraw/zinc/60/20/12/532602012.db2.gz AMDFXDSLYKUFMS-UTUOFQBUSA-N 1 2 397.317 2.344 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cn2ccc(Br)cc2n1 ZINC000376220567 532603025 /nfs/dbraw/zinc/60/30/25/532603025.db2.gz RFRQGUDKTZDCPB-OCCSQVGLSA-N 1 2 393.285 2.032 20 0 GEADLO C[C@@H](CC(=O)NCCNC(=O)c1cccc(Br)c1)n1cc[nH+]c1 ZINC000566307457 532603610 /nfs/dbraw/zinc/60/36/10/532603610.db2.gz KTJWXRVSZLQREC-LBPRGKRZSA-N 1 2 379.258 2.143 20 0 GEADLO C[C@H](CNC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl)[NH+]1CCOCC1 ZINC000474038714 532605054 /nfs/dbraw/zinc/60/50/54/532605054.db2.gz CVQFOMXHDZFVEO-RISCZKNCSA-N 1 2 376.284 2.047 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC(C[NH+]2CCOCC2)C1 ZINC000632355632 532605554 /nfs/dbraw/zinc/60/55/54/532605554.db2.gz PWEUBVFIIJBKKZ-UHFFFAOYSA-N 1 2 383.272 2.085 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000632385097 532607622 /nfs/dbraw/zinc/60/76/22/532607622.db2.gz ZZDQYOMQSYPRQU-CQSZACIVSA-N 1 2 376.881 2.106 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000632394279 532609243 /nfs/dbraw/zinc/60/92/43/532609243.db2.gz MQSVJHDTEAEADF-CJNGLKHVSA-N 1 2 376.881 2.180 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000632394279 532609249 /nfs/dbraw/zinc/60/92/49/532609249.db2.gz MQSVJHDTEAEADF-CJNGLKHVSA-N 1 2 376.881 2.180 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000566450890 532609355 /nfs/dbraw/zinc/60/93/55/532609355.db2.gz LWCXLUJUDHCLLN-YGRLFVJLSA-N 1 2 379.258 2.036 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000566450890 532609361 /nfs/dbraw/zinc/60/93/61/532609361.db2.gz LWCXLUJUDHCLLN-YGRLFVJLSA-N 1 2 379.258 2.036 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1nnc(C(F)(F)F)s1)C(C)(C)CO ZINC000297865938 532609973 /nfs/dbraw/zinc/60/99/73/532609973.db2.gz PLXTYPIOOOYLLV-SSDOTTSWSA-N 1 2 378.380 2.172 20 0 GEADLO CCC(CC)(NC(=O)C1C[NH+](Cc2ccsc2C(F)(F)F)C1)C(N)=O ZINC000529607856 532610328 /nfs/dbraw/zinc/61/03/28/532610328.db2.gz HUENWUBPTVAJBZ-UHFFFAOYSA-N 1 2 377.432 2.359 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000474341874 532613294 /nfs/dbraw/zinc/61/32/94/532613294.db2.gz MFIZVCLFRULPAZ-SMDDNHRTSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000474341874 532613300 /nfs/dbraw/zinc/61/33/00/532613300.db2.gz MFIZVCLFRULPAZ-SMDDNHRTSA-N 1 2 376.284 2.047 20 0 GEADLO CO[C@]1(CO)CCC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000597186413 532613364 /nfs/dbraw/zinc/61/33/64/532613364.db2.gz COFMABIFOVBNGQ-CQSZACIVSA-N 1 2 379.213 2.404 20 0 GEADLO CO[C@]1(CO)CCC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC000597186413 532613367 /nfs/dbraw/zinc/61/33/67/532613367.db2.gz COFMABIFOVBNGQ-CQSZACIVSA-N 1 2 379.213 2.404 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376716982 532625874 /nfs/dbraw/zinc/62/58/74/532625874.db2.gz WURBRVMFWIKKJZ-GFCCVEGCSA-N 1 2 391.269 2.271 20 0 GEADLO CN1C[C@H]([N@H+](C)Cc2nc(Cc3cccc(Br)c3)no2)CCC1=O ZINC000566745523 532625922 /nfs/dbraw/zinc/62/59/22/532625922.db2.gz AZSQQXHSCBGWDV-CQSZACIVSA-N 1 2 393.285 2.476 20 0 GEADLO CN1C[C@H]([N@@H+](C)Cc2nc(Cc3cccc(Br)c3)no2)CCC1=O ZINC000566745523 532625930 /nfs/dbraw/zinc/62/59/30/532625930.db2.gz AZSQQXHSCBGWDV-CQSZACIVSA-N 1 2 393.285 2.476 20 0 GEADLO O=C(Nc1nc2c(s1)CSCC2)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376758738 532627367 /nfs/dbraw/zinc/62/73/67/532627367.db2.gz BQPRIQGVCGYLNH-UHFFFAOYSA-N 1 2 377.495 2.000 20 0 GEADLO O=C(Nc1nc2c(s1)CSCC2)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376758738 532627374 /nfs/dbraw/zinc/62/73/74/532627374.db2.gz BQPRIQGVCGYLNH-UHFFFAOYSA-N 1 2 377.495 2.000 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000474738156 532627529 /nfs/dbraw/zinc/62/75/29/532627529.db2.gz SOSFFOFSAFALBY-INIZCTEOSA-N 1 2 384.318 2.247 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000474738156 532627533 /nfs/dbraw/zinc/62/75/33/532627533.db2.gz SOSFFOFSAFALBY-INIZCTEOSA-N 1 2 384.318 2.247 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000474773302 532629464 /nfs/dbraw/zinc/62/94/64/532629464.db2.gz MHHIHGHTVMVKKQ-UHFFFAOYSA-N 1 2 377.286 2.383 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)N3CC[NH2+]C[C@@H]3C(F)F)s2)cs1 ZINC000376796482 532630007 /nfs/dbraw/zinc/63/00/07/532630007.db2.gz CCKSJUNCTLTSOT-SNVBAGLBSA-N 1 2 379.479 2.408 20 0 GEADLO Cc1sc(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000376796314 532630462 /nfs/dbraw/zinc/63/04/62/532630462.db2.gz MBYBXSAPQLMXCE-SSDOTTSWSA-N 1 2 375.260 2.047 20 0 GEADLO Cc1nc(CSc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)sc1C ZINC000530799682 532630860 /nfs/dbraw/zinc/63/08/60/532630860.db2.gz GWODLCMVJUCERP-UHFFFAOYSA-N 1 2 398.579 2.383 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000376822297 532631642 /nfs/dbraw/zinc/63/16/42/532631642.db2.gz IJPXWGWPNZXJBU-KGLIPLIRSA-N 1 2 382.258 2.249 20 0 GEADLO O=C(Nc1nc2cc(Cl)ccn2n1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567225611 532646191 /nfs/dbraw/zinc/64/61/91/532646191.db2.gz SKOIRXJUSUPPSX-UHFFFAOYSA-N 1 2 376.873 2.794 20 0 GEADLO CCO[C@@H]1C[C@@H]1NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000566950971 532632587 /nfs/dbraw/zinc/63/25/87/532632587.db2.gz DIKZFJYYDZZHKM-UONOGXRCSA-N 1 2 381.274 2.424 20 0 GEADLO O=C(c1nc(Br)sc1C1CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000376876912 532633092 /nfs/dbraw/zinc/63/30/92/532633092.db2.gz XHOBXDWMPXVISY-LLVKDONJSA-N 1 2 386.315 2.330 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2csc(I)c2)[C@H](C)CO1 ZINC000598000468 532636317 /nfs/dbraw/zinc/63/63/17/532636317.db2.gz VCHIEEYOGQNOHZ-NXEZZACHSA-N 1 2 394.278 2.192 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2csc(I)c2)[C@H](C)CO1 ZINC000598000468 532636323 /nfs/dbraw/zinc/63/63/23/532636323.db2.gz VCHIEEYOGQNOHZ-NXEZZACHSA-N 1 2 394.278 2.192 20 0 GEADLO CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@]2([NH+](C)C)CCCSC2)cc1 ZINC000377029540 532636559 /nfs/dbraw/zinc/63/65/59/532636559.db2.gz JAHYKULMESISTI-RDTXWAMCSA-N 1 2 384.567 2.485 20 0 GEADLO Cc1sc(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)nc1C(C)C ZINC000377039798 532638324 /nfs/dbraw/zinc/63/83/24/532638324.db2.gz LEYSUUPUSDQXSK-GOSISDBHSA-N 1 2 383.583 2.442 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000377050489 532638946 /nfs/dbraw/zinc/63/89/46/532638946.db2.gz KJUCUZNMFQNWDC-AWEZNQCLSA-N 1 2 381.278 2.279 20 0 GEADLO CS(=O)(=O)c1cccnc1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000475216728 532640699 /nfs/dbraw/zinc/64/06/99/532640699.db2.gz KGNUNNSVBHEERG-UHFFFAOYSA-N 1 2 377.857 2.009 20 0 GEADLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2c(Br)cnn2C)s1 ZINC000475219523 532640768 /nfs/dbraw/zinc/64/07/68/532640768.db2.gz MILMXBZIFRRFFT-UHFFFAOYSA-N 1 2 378.317 2.328 20 0 GEADLO O=S(=O)(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000531911914 532641716 /nfs/dbraw/zinc/64/17/16/532641716.db2.gz KQOARERUEASPIO-LSDHHAIUSA-N 1 2 378.416 2.026 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)cc1S(N)(=O)=O ZINC000263838628 532643332 /nfs/dbraw/zinc/64/33/32/532643332.db2.gz HLBUAIQSYBLQPK-LBPRGKRZSA-N 1 2 379.507 2.262 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C)cc1S(N)(=O)=O ZINC000263838628 532643336 /nfs/dbraw/zinc/64/33/36/532643336.db2.gz HLBUAIQSYBLQPK-LBPRGKRZSA-N 1 2 379.507 2.262 20 0 GEADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000263839926 532643797 /nfs/dbraw/zinc/64/37/97/532643797.db2.gz RPKJAIRFXIQUHV-CQSZACIVSA-N 1 2 382.873 2.339 20 0 GEADLO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NCC[NH+]1CCOCC1 ZINC000533177308 532662104 /nfs/dbraw/zinc/66/21/04/532662104.db2.gz GJWURABQQQMKSK-LBPRGKRZSA-N 1 2 388.281 2.151 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000285242149 532662426 /nfs/dbraw/zinc/66/24/26/532662426.db2.gz CVXIPZNAIQYDPO-UHFFFAOYSA-N 1 2 378.274 2.214 20 0 GEADLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CCS1 ZINC000264169454 532663681 /nfs/dbraw/zinc/66/36/81/532663681.db2.gz YOPGLYZALMNVCF-AWEZNQCLSA-N 1 2 379.551 2.251 20 0 GEADLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CCS1 ZINC000264169454 532663687 /nfs/dbraw/zinc/66/36/87/532663687.db2.gz YOPGLYZALMNVCF-AWEZNQCLSA-N 1 2 379.551 2.251 20 0 GEADLO CC(C)[N@H+](CCS(=O)(=O)N(C)C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000285288436 532665812 /nfs/dbraw/zinc/66/58/12/532665812.db2.gz AXXOBFASCWLJLR-UHFFFAOYSA-N 1 2 386.905 2.492 20 0 GEADLO CC(C)[N@@H+](CCS(=O)(=O)N(C)C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000285288436 532665819 /nfs/dbraw/zinc/66/58/19/532665819.db2.gz AXXOBFASCWLJLR-UHFFFAOYSA-N 1 2 386.905 2.492 20 0 GEADLO O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)c(F)cc1F ZINC000567861623 532667581 /nfs/dbraw/zinc/66/75/81/532667581.db2.gz JCLLHDISEFBPHR-SNVBAGLBSA-N 1 2 391.184 2.003 20 0 GEADLO O=C(C[N@H+]1CCSC[C@H]1CCO)c1c[nH]c2ncc(Br)cc12 ZINC000660002022 532668280 /nfs/dbraw/zinc/66/82/80/532668280.db2.gz AZPHRKNSFBUSDH-LLVKDONJSA-N 1 2 384.299 2.308 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@H]1CCO)c1c[nH]c2ncc(Br)cc12 ZINC000660002022 532668286 /nfs/dbraw/zinc/66/82/86/532668286.db2.gz AZPHRKNSFBUSDH-LLVKDONJSA-N 1 2 384.299 2.308 20 0 GEADLO CCN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000263907071 532648625 /nfs/dbraw/zinc/64/86/25/532648625.db2.gz KZPYFNOLGGBOJE-CQSZACIVSA-N 1 2 386.543 2.170 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2)C1 ZINC000298458076 532650793 /nfs/dbraw/zinc/65/07/93/532650793.db2.gz SZAWBFBUHSZGKZ-OCCSQVGLSA-N 1 2 386.543 2.026 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2)C1 ZINC000298458076 532650802 /nfs/dbraw/zinc/65/08/02/532650802.db2.gz SZAWBFBUHSZGKZ-OCCSQVGLSA-N 1 2 386.543 2.026 20 0 GEADLO C[C@@H](CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br)n1cc[nH+]c1 ZINC000567392283 532651921 /nfs/dbraw/zinc/65/19/21/532651921.db2.gz LKHJDQCZVOQLOG-LRDDRELGSA-N 1 2 391.269 2.296 20 0 GEADLO O=C(CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F)Nc1cccc(F)c1 ZINC000437243142 532652669 /nfs/dbraw/zinc/65/26/69/532652669.db2.gz AAICXLNVFUFCEU-UHFFFAOYSA-N 1 2 379.335 2.138 20 0 GEADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000567490298 532655837 /nfs/dbraw/zinc/65/58/37/532655837.db2.gz GHNQSHGRGFIPHH-GOEBONIOSA-N 1 2 384.567 2.341 20 0 GEADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000567490298 532655840 /nfs/dbraw/zinc/65/58/40/532655840.db2.gz GHNQSHGRGFIPHH-GOEBONIOSA-N 1 2 384.567 2.341 20 0 GEADLO Cn1nc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(Br)c2)nc1N ZINC000298533220 532658400 /nfs/dbraw/zinc/65/84/00/532658400.db2.gz MKONDOLVNZZXBT-CYBMUJFWSA-N 1 2 393.289 2.326 20 0 GEADLO Cn1nc([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc(Br)c2)nc1N ZINC000298533220 532658407 /nfs/dbraw/zinc/65/84/07/532658407.db2.gz MKONDOLVNZZXBT-CYBMUJFWSA-N 1 2 393.289 2.326 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000285217899 532658603 /nfs/dbraw/zinc/65/86/03/532658603.db2.gz FAWDXJKLQFEEQS-JSGCOSHPSA-N 1 2 376.881 2.104 20 0 GEADLO Cc1ccc(N(C)S(=O)(=O)CCC[NH+]2CCOCC2)cc1Br ZINC000478782818 532659640 /nfs/dbraw/zinc/65/96/40/532659640.db2.gz PDZBSJVIDRRDAT-UHFFFAOYSA-N 1 2 391.331 2.246 20 0 GEADLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c(C)onc1N)c1ccccc1Cl ZINC000439208703 532684100 /nfs/dbraw/zinc/68/41/00/532684100.db2.gz AWRMEPLRMZLRPF-CQSZACIVSA-N 1 2 386.905 2.580 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000535660183 532685077 /nfs/dbraw/zinc/68/50/77/532685077.db2.gz WKMLWAKGAIRXKV-WFASDCNBSA-N 1 2 399.925 2.224 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000535660183 532685082 /nfs/dbraw/zinc/68/50/82/532685082.db2.gz WKMLWAKGAIRXKV-WFASDCNBSA-N 1 2 399.925 2.224 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000485507931 532685811 /nfs/dbraw/zinc/68/58/11/532685811.db2.gz CGVFLIBWPBGTTA-UHFFFAOYSA-N 1 2 380.246 2.011 20 0 GEADLO Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1F ZINC000438465334 532671712 /nfs/dbraw/zinc/67/17/12/532671712.db2.gz KDEZIPSCZXKGMZ-UHFFFAOYSA-N 1 2 383.411 2.085 20 0 GEADLO CCN(C1CC[NH+](Cc2c(Cl)cccc2C(=O)OC)CC1)S(C)(=O)=O ZINC000285497188 532686635 /nfs/dbraw/zinc/68/66/35/532686635.db2.gz DVNJGJZJQQOQHQ-UHFFFAOYSA-N 1 2 388.917 2.373 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000264454214 532675192 /nfs/dbraw/zinc/67/51/92/532675192.db2.gz QPKNLOLJWUQAQH-GFCCVEGCSA-N 1 2 379.302 2.296 20 0 GEADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000660850235 532677272 /nfs/dbraw/zinc/67/72/72/532677272.db2.gz SYBXPMWQWBKIAD-VIFPVBQESA-N 1 2 392.637 2.063 20 0 GEADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000660850235 532677283 /nfs/dbraw/zinc/67/72/83/532677283.db2.gz SYBXPMWQWBKIAD-VIFPVBQESA-N 1 2 392.637 2.063 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000637601141 532677746 /nfs/dbraw/zinc/67/77/46/532677746.db2.gz RGCSNEHHYYEBHN-HYVNUMGLSA-N 1 2 394.313 2.061 20 0 GEADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000378053690 532677779 /nfs/dbraw/zinc/67/77/79/532677779.db2.gz JMVZADLRFUGTSO-LBPRGKRZSA-N 1 2 393.289 2.273 20 0 GEADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000378053690 532677781 /nfs/dbraw/zinc/67/77/81/532677781.db2.gz JMVZADLRFUGTSO-LBPRGKRZSA-N 1 2 393.289 2.273 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCc2ccc(O)c(Br)c2)c(C)[nH+]1 ZINC000484526203 532679325 /nfs/dbraw/zinc/67/93/25/532679325.db2.gz KUBFKUXGSPLJFP-UHFFFAOYSA-N 1 2 378.226 2.421 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)[C@H](NC(N)=O)C(C)(C)C)[nH+]c12 ZINC000298855697 532679717 /nfs/dbraw/zinc/67/97/17/532679717.db2.gz FPXUDWAPQXZIRB-LBPRGKRZSA-N 1 2 396.289 2.104 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[NH+]1CC(C)C1 ZINC000568529612 532680143 /nfs/dbraw/zinc/68/01/43/532680143.db2.gz NJXHFSMWCCMUAD-LBPRGKRZSA-N 1 2 380.495 2.223 20 0 GEADLO CC(=O)N[C@H](CC(=O)N1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000378116809 532680718 /nfs/dbraw/zinc/68/07/18/532680718.db2.gz LVMVOJBACQPSBI-MRXNPFEDSA-N 1 2 391.269 2.255 20 0 GEADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000568588534 532682040 /nfs/dbraw/zinc/68/20/40/532682040.db2.gz QSSMMELLVSLEDM-HOCLYGCPSA-N 1 2 384.567 2.483 20 0 GEADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000568588534 532682047 /nfs/dbraw/zinc/68/20/47/532682047.db2.gz QSSMMELLVSLEDM-HOCLYGCPSA-N 1 2 384.567 2.483 20 0 GEADLO CNC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000600797391 532682801 /nfs/dbraw/zinc/68/28/01/532682801.db2.gz VCPCLZDCYNTQOO-GWCFXTLKSA-N 1 2 384.263 2.083 20 0 GEADLO CNC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000600797391 532682808 /nfs/dbraw/zinc/68/28/08/532682808.db2.gz VCPCLZDCYNTQOO-GWCFXTLKSA-N 1 2 384.263 2.083 20 0 GEADLO C[C@H](O)CNc1cc(NCCCS(=O)(=O)c2ccc(Cl)cc2)[nH+]cn1 ZINC000298885605 532683655 /nfs/dbraw/zinc/68/36/55/532683655.db2.gz LJMFVJGPSWHVSC-LBPRGKRZSA-N 1 2 384.889 2.199 20 0 GEADLO C[C@H](O)CNc1cc(NCCCS(=O)(=O)c2ccc(Cl)cc2)nc[nH+]1 ZINC000298885605 532683660 /nfs/dbraw/zinc/68/36/60/532683660.db2.gz LJMFVJGPSWHVSC-LBPRGKRZSA-N 1 2 384.889 2.199 20 0 GEADLO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000486584473 532691637 /nfs/dbraw/zinc/69/16/37/532691637.db2.gz VLABUBQLNIZYRG-RISCZKNCSA-N 1 2 380.495 2.080 20 0 GEADLO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000486584473 532691643 /nfs/dbraw/zinc/69/16/43/532691643.db2.gz VLABUBQLNIZYRG-RISCZKNCSA-N 1 2 380.495 2.080 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)cc1Br ZINC000639231584 532691832 /nfs/dbraw/zinc/69/18/32/532691832.db2.gz PQSVRVFZNJUEQX-ZDUSSCGKSA-N 1 2 391.356 2.424 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1Br ZINC000639231584 532691841 /nfs/dbraw/zinc/69/18/41/532691841.db2.gz PQSVRVFZNJUEQX-ZDUSSCGKSA-N 1 2 391.356 2.424 20 0 GEADLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000639234633 532691956 /nfs/dbraw/zinc/69/19/56/532691956.db2.gz BNCDHTZLNCAREN-LLVKDONJSA-N 1 2 399.866 2.303 20 0 GEADLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000639234633 532691960 /nfs/dbraw/zinc/69/19/60/532691960.db2.gz BNCDHTZLNCAREN-LLVKDONJSA-N 1 2 399.866 2.303 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)sc1Br ZINC000378376248 532692885 /nfs/dbraw/zinc/69/28/85/532692885.db2.gz ILRHTNRLDQHPHU-SECBINFHSA-N 1 2 391.316 2.126 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000536574010 532693720 /nfs/dbraw/zinc/69/37/20/532693720.db2.gz PKSWKGFBBKPHTQ-IPQOISQHSA-N 1 2 399.365 2.115 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000536574010 532693724 /nfs/dbraw/zinc/69/37/24/532693724.db2.gz PKSWKGFBBKPHTQ-IPQOISQHSA-N 1 2 399.365 2.115 20 0 GEADLO CN(CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000378413899 532694167 /nfs/dbraw/zinc/69/41/67/532694167.db2.gz XHXGEUOTVQBSKK-CQSZACIVSA-N 1 2 382.873 2.047 20 0 GEADLO O=C(Nc1nnc([C@@H]2CCCO2)s1)N1CC[NH+](Cc2cccs2)CC1 ZINC000640740269 532695338 /nfs/dbraw/zinc/69/53/38/532695338.db2.gz QQRKXPIBMNZLFI-ZDUSSCGKSA-N 1 2 379.511 2.801 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000285667660 532695790 /nfs/dbraw/zinc/69/57/90/532695790.db2.gz QCTDNYAADYMNRR-LBPRGKRZSA-N 1 2 384.889 2.246 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000285667660 532695797 /nfs/dbraw/zinc/69/57/97/532695797.db2.gz QCTDNYAADYMNRR-LBPRGKRZSA-N 1 2 384.889 2.246 20 0 GEADLO CC[C@@H]1C[N@H+](CCNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000487381363 532696795 /nfs/dbraw/zinc/69/67/95/532696795.db2.gz TYOQNZOWXSFDIQ-OAHLLOKOSA-N 1 2 380.432 2.236 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000487381363 532696804 /nfs/dbraw/zinc/69/68/04/532696804.db2.gz TYOQNZOWXSFDIQ-OAHLLOKOSA-N 1 2 380.432 2.236 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000285669674 532698559 /nfs/dbraw/zinc/69/85/59/532698559.db2.gz QHGSYXLZYAPCPI-SWLSCSKDSA-N 1 2 381.325 2.383 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000285669674 532698561 /nfs/dbraw/zinc/69/85/61/532698561.db2.gz QHGSYXLZYAPCPI-SWLSCSKDSA-N 1 2 381.325 2.383 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)COc1cccc(Br)c1 ZINC000285696698 532698869 /nfs/dbraw/zinc/69/88/69/532698869.db2.gz HFMDSIHKJGNTMK-UKRRQHHQSA-N 1 2 383.286 2.150 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)COc1cccc(Br)c1 ZINC000285696692 532699562 /nfs/dbraw/zinc/69/95/62/532699562.db2.gz HFMDSIHKJGNTMK-HIFRSBDPSA-N 1 2 383.286 2.150 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)COc1ccc(Br)cc1 ZINC000285696584 532699979 /nfs/dbraw/zinc/69/99/79/532699979.db2.gz HETQCKVLHSDINH-UKRRQHHQSA-N 1 2 383.286 2.150 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488718681 532701116 /nfs/dbraw/zinc/70/11/16/532701116.db2.gz MLPODPVBGDELDT-ZJUUUORDSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000488718681 532701122 /nfs/dbraw/zinc/70/11/22/532701122.db2.gz MLPODPVBGDELDT-ZJUUUORDSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)cs1 ZINC000266079459 532702223 /nfs/dbraw/zinc/70/22/23/532702223.db2.gz BKXWOGFKNYPZLJ-UHFFFAOYSA-N 1 2 381.479 2.008 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](CO)c1ccc(Br)cc1 ZINC000535773650 532687466 /nfs/dbraw/zinc/68/74/66/532687466.db2.gz HODDCCFGSHSVDJ-HNNXBMFYSA-N 1 2 381.274 2.459 20 0 GEADLO CCS(=O)(=O)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000265053812 532687780 /nfs/dbraw/zinc/68/77/80/532687780.db2.gz VDSVTRGVXLJNCG-AWEZNQCLSA-N 1 2 385.555 2.180 20 0 GEADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000378264684 532687996 /nfs/dbraw/zinc/68/79/96/532687996.db2.gz CPXDEHKSUQWXNW-LBPRGKRZSA-N 1 2 383.857 2.038 20 0 GEADLO COc1ccc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1Br ZINC000285535131 532689390 /nfs/dbraw/zinc/68/93/90/532689390.db2.gz UJLYNBNAQVRYEL-GDBMZVCRSA-N 1 2 398.301 2.072 20 0 GEADLO COc1ccc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1Br ZINC000285535131 532689396 /nfs/dbraw/zinc/68/93/96/532689396.db2.gz UJLYNBNAQVRYEL-GDBMZVCRSA-N 1 2 398.301 2.072 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000666891629 532706915 /nfs/dbraw/zinc/70/69/15/532706915.db2.gz UMZJPMHIOATKGK-ZIAGYGMSSA-N 1 2 391.269 2.431 20 0 GEADLO Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CSC[NH2+]3)cc2)cc1 ZINC000489553836 532708117 /nfs/dbraw/zinc/70/81/17/532708117.db2.gz URDRIIHNKWLLJL-MRXNPFEDSA-N 1 2 377.491 2.397 20 0 GEADLO CN(CC1=CCSC1)C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000668375756 532710155 /nfs/dbraw/zinc/71/01/55/532710155.db2.gz QJWQRRVTXTWPRF-MRXNPFEDSA-N 1 2 381.929 2.191 20 0 GEADLO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000440282064 532710290 /nfs/dbraw/zinc/71/02/90/532710290.db2.gz ZCNKIGIMWGRREU-GFCCVEGCSA-N 1 2 398.301 2.337 20 0 GEADLO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000440282064 532710295 /nfs/dbraw/zinc/71/02/95/532710295.db2.gz ZCNKIGIMWGRREU-GFCCVEGCSA-N 1 2 398.301 2.337 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1Cl ZINC000608045315 532711106 /nfs/dbraw/zinc/71/11/06/532711106.db2.gz WRHNORQDOJDHSZ-CQSZACIVSA-N 1 2 388.917 2.224 20 0 GEADLO CN(C)c1ccc2cc(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)ccc2[nH+]1 ZINC000299348598 532711840 /nfs/dbraw/zinc/71/18/40/532711840.db2.gz HADGDQGBXYURMP-CQSZACIVSA-N 1 2 379.507 2.160 20 0 GEADLO Cc1cc(Br)cc(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1C ZINC000669058528 532712640 /nfs/dbraw/zinc/71/26/40/532712640.db2.gz WGNJGDJDUUPDND-UHFFFAOYSA-N 1 2 392.301 2.115 20 0 GEADLO Cc1cc(S(=O)(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1F ZINC000440414805 532712938 /nfs/dbraw/zinc/71/29/38/532712938.db2.gz KZWJAWURKRAQHD-BETUJISGSA-N 1 2 376.469 2.439 20 0 GEADLO Cc1cc(S(=O)(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1F ZINC000440414805 532712944 /nfs/dbraw/zinc/71/29/44/532712944.db2.gz KZWJAWURKRAQHD-BETUJISGSA-N 1 2 376.469 2.439 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCc2ccc(Br)cc21 ZINC000494214462 532714251 /nfs/dbraw/zinc/71/42/51/532714251.db2.gz AQJYGKDOYUOGRO-HNNXBMFYSA-N 1 2 380.286 2.384 20 0 GEADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCc2ccc(Br)cc21 ZINC000494214462 532714259 /nfs/dbraw/zinc/71/42/59/532714259.db2.gz AQJYGKDOYUOGRO-HNNXBMFYSA-N 1 2 380.286 2.384 20 0 GEADLO CC(C)(C)c1ncc(/C=C/C(=O)NCC(C)(C)[NH+]2CCS(=O)CC2)s1 ZINC000266334450 532715278 /nfs/dbraw/zinc/71/52/78/532715278.db2.gz SRJYCDJOKGZCQR-VOTSOKGWSA-N 1 2 383.583 2.413 20 0 GEADLO COC(=O)CCNC(=O)C[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000494279961 532715388 /nfs/dbraw/zinc/71/53/88/532715388.db2.gz PWVCCPVDOXJISV-UHFFFAOYSA-N 1 2 377.666 2.214 20 0 GEADLO COC(=O)CCNC(=O)C[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000494279961 532715391 /nfs/dbraw/zinc/71/53/91/532715391.db2.gz PWVCCPVDOXJISV-UHFFFAOYSA-N 1 2 377.666 2.214 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000538732416 532717011 /nfs/dbraw/zinc/71/70/11/532717011.db2.gz LFJKGYWTLKUKKD-ZDUSSCGKSA-N 1 2 399.314 2.092 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000538732416 532717013 /nfs/dbraw/zinc/71/70/13/532717013.db2.gz LFJKGYWTLKUKKD-ZDUSSCGKSA-N 1 2 399.314 2.092 20 0 GEADLO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000299433931 532717361 /nfs/dbraw/zinc/71/73/61/532717361.db2.gz VLERVKAZKHTWSW-LLVKDONJSA-N 1 2 382.536 2.422 20 0 GEADLO NC(=O)c1ccsc1NC(=O)CC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000299433931 532717365 /nfs/dbraw/zinc/71/73/65/532717365.db2.gz VLERVKAZKHTWSW-LLVKDONJSA-N 1 2 382.536 2.422 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000495328991 532719948 /nfs/dbraw/zinc/71/99/48/532719948.db2.gz DEBXKYBQZGAYCR-UHFFFAOYSA-N 1 2 388.295 2.043 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000495314590 532720400 /nfs/dbraw/zinc/72/04/00/532720400.db2.gz LGSPGPDTZQNFSS-UHFFFAOYSA-N 1 2 375.230 2.206 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1Br ZINC000538851758 532720698 /nfs/dbraw/zinc/72/06/98/532720698.db2.gz BIEHDPHMAMPNPK-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1Br ZINC000538851758 532720702 /nfs/dbraw/zinc/72/07/02/532720702.db2.gz BIEHDPHMAMPNPK-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)ccc1Br ZINC000538851845 532721401 /nfs/dbraw/zinc/72/14/01/532721401.db2.gz FMRJBIFZGADAQJ-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)ccc1Br ZINC000538851845 532721407 /nfs/dbraw/zinc/72/14/07/532721407.db2.gz FMRJBIFZGADAQJ-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO CCOCC[N@@H+]1CCN(S(=O)(=O)c2nc3ccccc3s2)C[C@@H]1CC ZINC000575918694 532722144 /nfs/dbraw/zinc/72/21/44/532722144.db2.gz HGRFOIVEEVMAON-AWEZNQCLSA-N 1 2 383.539 2.418 20 0 GEADLO CCOCC[N@H+]1CCN(S(=O)(=O)c2nc3ccccc3s2)C[C@@H]1CC ZINC000575918694 532722148 /nfs/dbraw/zinc/72/21/48/532722148.db2.gz HGRFOIVEEVMAON-AWEZNQCLSA-N 1 2 383.539 2.418 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000409504087 532722705 /nfs/dbraw/zinc/72/27/05/532722705.db2.gz SULMMZHCDYXYGH-VXGBXAGGSA-N 1 2 391.331 2.312 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000409504087 532722714 /nfs/dbraw/zinc/72/27/14/532722714.db2.gz SULMMZHCDYXYGH-VXGBXAGGSA-N 1 2 391.331 2.312 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1)Nc1ccccc1Cl ZINC000576189480 532726856 /nfs/dbraw/zinc/72/68/56/532726856.db2.gz ICKSCXQTUHDLRV-CYBMUJFWSA-N 1 2 385.917 2.072 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1)Nc1ccccc1Cl ZINC000576189480 532726862 /nfs/dbraw/zinc/72/68/62/532726862.db2.gz ICKSCXQTUHDLRV-CYBMUJFWSA-N 1 2 385.917 2.072 20 0 GEADLO CC[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000266847280 532727089 /nfs/dbraw/zinc/72/70/89/532727089.db2.gz PSRRNTXRFHDZHE-MNOVXSKESA-N 1 2 379.452 2.158 20 0 GEADLO CC[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000266847280 532727092 /nfs/dbraw/zinc/72/70/92/532727092.db2.gz PSRRNTXRFHDZHE-MNOVXSKESA-N 1 2 379.452 2.158 20 0 GEADLO CNC(=O)C[N@H+](C)[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000286076573 532727683 /nfs/dbraw/zinc/72/76/83/532727683.db2.gz SSBWCOJBMPOBSZ-AWEZNQCLSA-N 1 2 382.302 2.239 20 0 GEADLO CNC(=O)C[N@@H+](C)[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000286076573 532727689 /nfs/dbraw/zinc/72/76/89/532727689.db2.gz SSBWCOJBMPOBSZ-AWEZNQCLSA-N 1 2 382.302 2.239 20 0 GEADLO O=C(c1cn[nH]c(=O)c1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000613155822 532728114 /nfs/dbraw/zinc/72/81/14/532728114.db2.gz TYOUCNNOZAYMJQ-UHFFFAOYSA-N 1 2 381.263 2.490 20 0 GEADLO O=C(Cn1cc(Br)cn1)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000299604331 532729771 /nfs/dbraw/zinc/72/97/71/532729771.db2.gz FPYVNMSGIZXOHW-UHFFFAOYSA-N 1 2 393.285 2.011 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1CC(=O)Nc1ccccc1Br ZINC000286144439 532731333 /nfs/dbraw/zinc/73/13/33/532731333.db2.gz VRJWSNGYGNBUIS-KBPBESRZSA-N 1 2 382.302 2.183 20 0 GEADLO COc1cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)sc1Br ZINC000285905543 532718539 /nfs/dbraw/zinc/71/85/39/532718539.db2.gz SDIRSJYNGFBXEU-QWRGUYRKSA-N 1 2 389.315 2.454 20 0 GEADLO Cn1c2ccccc2[nH+]c1NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000440655669 532719269 /nfs/dbraw/zinc/71/92/69/532719269.db2.gz PXXQVIVTAPIBHB-UHFFFAOYSA-N 1 2 382.848 2.756 20 0 GEADLO O=C(COc1ccc(C2SCCCS2)cc1)N1CC[NH+](CCO)CC1 ZINC000267495628 532742363 /nfs/dbraw/zinc/74/23/63/532742363.db2.gz HCXYGBYDCMMOEM-UHFFFAOYSA-N 1 2 382.551 2.071 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)Cn2cc(Cl)cn2)c2ccc(Cl)cc2)C1 ZINC000502855349 532742602 /nfs/dbraw/zinc/74/26/02/532742602.db2.gz KPDOGBMTZNJJCC-WBVHZDCISA-N 1 2 383.279 2.378 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)Cn2cc(Cl)cn2)c2ccc(Cl)cc2)C1 ZINC000502855349 532742609 /nfs/dbraw/zinc/74/26/09/532742609.db2.gz KPDOGBMTZNJJCC-WBVHZDCISA-N 1 2 383.279 2.378 20 0 GEADLO C[C@@H]1C[N@H+](CCCOc2cccc(I)c2)CC(=O)N1C ZINC000502895000 532743225 /nfs/dbraw/zinc/74/32/25/532743225.db2.gz XPJMPHHNKRJPPU-GFCCVEGCSA-N 1 2 388.249 2.223 20 0 GEADLO C[C@@H]1C[N@@H+](CCCOc2cccc(I)c2)CC(=O)N1C ZINC000502895000 532743228 /nfs/dbraw/zinc/74/32/28/532743228.db2.gz XPJMPHHNKRJPPU-GFCCVEGCSA-N 1 2 388.249 2.223 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000286425320 532746017 /nfs/dbraw/zinc/74/60/17/532746017.db2.gz IOIMSKSVFKTNMJ-XPTSAGLGSA-N 1 2 379.766 2.489 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000286425320 532746022 /nfs/dbraw/zinc/74/60/22/532746022.db2.gz IOIMSKSVFKTNMJ-XPTSAGLGSA-N 1 2 379.766 2.489 20 0 GEADLO C[C@H](NC(=O)Cc1c(F)ccc(Br)c1F)[C@H](C)[NH+]1CCOCC1 ZINC000503353744 532746702 /nfs/dbraw/zinc/74/67/02/532746702.db2.gz JOJREYQIOZVZII-QWRGUYRKSA-N 1 2 391.256 2.495 20 0 GEADLO CC(C)(C)c1nc(CN2CCN(C(=O)[C@@H]([NH3+])c3cscn3)CC2)cs1 ZINC000578502258 532737260 /nfs/dbraw/zinc/73/72/60/532737260.db2.gz JLLFKFICUYDWQG-AWEZNQCLSA-N 1 2 379.555 2.241 20 0 GEADLO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614506660 532739060 /nfs/dbraw/zinc/73/90/60/532739060.db2.gz HTBYTZPOZQXNRU-AWEZNQCLSA-N 1 2 378.929 2.388 20 0 GEADLO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614506660 532739065 /nfs/dbraw/zinc/73/90/65/532739065.db2.gz HTBYTZPOZQXNRU-AWEZNQCLSA-N 1 2 378.929 2.388 20 0 GEADLO C[C@H]1C[C@H](CCNS(=O)(=O)NCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000443025296 532740379 /nfs/dbraw/zinc/74/03/79/532740379.db2.gz LZWZBPLXEZZCPK-ZFWWWQNUSA-N 1 2 379.448 2.273 20 0 GEADLO C[C@H]1C[C@H](CCNS(=O)(=O)NCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000443025296 532740388 /nfs/dbraw/zinc/74/03/88/532740388.db2.gz LZWZBPLXEZZCPK-ZFWWWQNUSA-N 1 2 379.448 2.273 20 0 GEADLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ncc(Br)cn3)CC2)n1 ZINC000267355065 532740396 /nfs/dbraw/zinc/74/03/96/532740396.db2.gz HEALGPZGXOXRRP-NSHDSACASA-N 1 2 397.277 2.042 20 0 GEADLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ncc(Br)cn3)CC2)n1 ZINC000267355065 532740400 /nfs/dbraw/zinc/74/04/00/532740400.db2.gz HEALGPZGXOXRRP-NSHDSACASA-N 1 2 397.277 2.042 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000579310043 532740607 /nfs/dbraw/zinc/74/06/07/532740607.db2.gz IEPPHLDNJMXHOI-QWHCGFSZSA-N 1 2 390.237 2.464 20 0 GEADLO C[C@H]1CCSCC[N@@H+]1CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000502835719 532741040 /nfs/dbraw/zinc/74/10/40/532741040.db2.gz GFCUMOJAXKNBDS-DOTOQJQBSA-N 1 2 388.599 2.162 20 0 GEADLO C[C@H]1CCSCC[N@H+]1CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000502835719 532741046 /nfs/dbraw/zinc/74/10/46/532741046.db2.gz GFCUMOJAXKNBDS-DOTOQJQBSA-N 1 2 388.599 2.162 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCc1nncn1-c1ccccc1 ZINC000301155697 532741510 /nfs/dbraw/zinc/74/15/10/532741510.db2.gz NCUXVNHLZZGKPC-UHFFFAOYSA-N 1 2 385.229 2.319 20 0 GEADLO CCC[N@H+](Cc1cc2c(cc1OC(F)F)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000506790622 532755006 /nfs/dbraw/zinc/75/50/06/532755006.db2.gz ONNZXBRIJFMKAC-LBPRGKRZSA-N 1 2 377.409 2.416 20 0 GEADLO CCC[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000506790622 532755011 /nfs/dbraw/zinc/75/50/11/532755011.db2.gz ONNZXBRIJFMKAC-LBPRGKRZSA-N 1 2 377.409 2.416 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)NCCc2cccs2)C1 ZINC000286577004 532756591 /nfs/dbraw/zinc/75/65/91/532756591.db2.gz PZOOVXTWBIFMSB-IAQYHMDHSA-N 1 2 378.416 2.223 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)NCCc2cccs2)C1 ZINC000286577004 532756597 /nfs/dbraw/zinc/75/65/97/532756597.db2.gz PZOOVXTWBIFMSB-IAQYHMDHSA-N 1 2 378.416 2.223 20 0 GEADLO Cc1nc(N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c(C)c(C)[nH+]1 ZINC000301680625 532757646 /nfs/dbraw/zinc/75/76/46/532757646.db2.gz JLYNCZATJWFHJG-UHFFFAOYSA-N 1 2 380.436 2.195 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000286644305 532759566 /nfs/dbraw/zinc/75/95/66/532759566.db2.gz DHVCQZQWMDKBEW-YPMHNXCESA-N 1 2 393.285 2.261 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000268260239 532759642 /nfs/dbraw/zinc/75/96/42/532759642.db2.gz QTLDNKSEXKMYLP-UHFFFAOYSA-N 1 2 383.857 2.418 20 0 GEADLO Nc1c(NCCOc2cccc(Br)c2)[nH+]cnc1-n1cccn1 ZINC000301788393 532760030 /nfs/dbraw/zinc/76/00/30/532760030.db2.gz QIQYNAXXVUSAGS-UHFFFAOYSA-N 1 2 375.230 2.498 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCCS(=O)(=O)C1)c1ccsc1 ZINC000286673370 532761625 /nfs/dbraw/zinc/76/16/25/532761625.db2.gz YDRQQWFMCRFSKE-ZBFHGGJFSA-N 1 2 387.571 2.255 20 0 GEADLO CCOc1ccc(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)cc1Br ZINC000268319654 532761736 /nfs/dbraw/zinc/76/17/36/532761736.db2.gz FBZYJDJTUNDFCD-LLVKDONJSA-N 1 2 388.287 2.411 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cccc2c(Cl)ccnc21)C[NH+]1CCOCC1 ZINC000451215210 532762459 /nfs/dbraw/zinc/76/24/59/532762459.db2.gz FRRXPLTYNWZOJQ-ZDUSSCGKSA-N 1 2 383.901 2.135 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000541126944 532749482 /nfs/dbraw/zinc/74/94/82/532749482.db2.gz OEEZLLCDYUWLHN-CYBMUJFWSA-N 1 2 385.302 2.227 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000541126944 532749486 /nfs/dbraw/zinc/74/94/86/532749486.db2.gz OEEZLLCDYUWLHN-CYBMUJFWSA-N 1 2 385.302 2.227 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000443737523 532749519 /nfs/dbraw/zinc/74/95/19/532749519.db2.gz OIYFADYBFWVBGZ-MRVPVSSYSA-N 1 2 387.184 2.067 20 0 GEADLO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1ncc(I)s1 ZINC000286477818 532750239 /nfs/dbraw/zinc/75/02/39/532750239.db2.gz LDRQHRRZFCPNJB-UHFFFAOYSA-N 1 2 388.296 2.051 20 0 GEADLO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000444690705 532750483 /nfs/dbraw/zinc/75/04/83/532750483.db2.gz APFWOATZTJVKJB-HOTGVXAUSA-N 1 2 378.881 2.467 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000444709320 532750741 /nfs/dbraw/zinc/75/07/41/532750741.db2.gz QEPOVTHWRCKXHK-KBPBESRZSA-N 1 2 384.464 2.077 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CC[C@@H](CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000444709320 532750745 /nfs/dbraw/zinc/75/07/45/532750745.db2.gz QEPOVTHWRCKXHK-KBPBESRZSA-N 1 2 384.464 2.077 20 0 GEADLO COC(=O)C[N@@H+](Cc1cccc(Br)c1)Cc1ccn(C)c(=O)c1 ZINC000616131682 532750766 /nfs/dbraw/zinc/75/07/66/532750766.db2.gz SIQKBKSJPHDCKF-UHFFFAOYSA-N 1 2 379.254 2.323 20 0 GEADLO COC(=O)C[N@H+](Cc1cccc(Br)c1)Cc1ccn(C)c(=O)c1 ZINC000616131682 532750767 /nfs/dbraw/zinc/75/07/67/532750767.db2.gz SIQKBKSJPHDCKF-UHFFFAOYSA-N 1 2 379.254 2.323 20 0 GEADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc[nH]c(=O)c1Br ZINC000445208470 532752232 /nfs/dbraw/zinc/75/22/32/532752232.db2.gz KXQHXESTSOBLEM-UHFFFAOYSA-N 1 2 377.242 2.344 20 0 GEADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC000301449447 532752213 /nfs/dbraw/zinc/75/22/13/532752213.db2.gz LAGVLKBMRXSGFS-NSHDSACASA-N 1 2 386.930 2.327 20 0 GEADLO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2cn(C)nn2)C1=O ZINC000506220802 532752307 /nfs/dbraw/zinc/75/23/07/532752307.db2.gz RDCPQLWGIGVQEF-HNNXBMFYSA-N 1 2 392.301 2.480 20 0 GEADLO COc1ccc(C[N@H+](CCOCC(F)(F)F)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000511835160 532776199 /nfs/dbraw/zinc/77/61/99/532776199.db2.gz ORBMIYQPHXWKAY-AWEZNQCLSA-N 1 2 381.416 2.263 20 0 GEADLO COc1ccc(C[N@@H+](CCOCC(F)(F)F)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000511835160 532776202 /nfs/dbraw/zinc/77/62/02/532776202.db2.gz ORBMIYQPHXWKAY-AWEZNQCLSA-N 1 2 381.416 2.263 20 0 GEADLO CC[C@@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1cccc(S(N)(=O)=O)c1 ZINC000542134620 532764947 /nfs/dbraw/zinc/76/49/47/532764947.db2.gz MABKVKAMVMICTH-LLVKDONJSA-N 1 2 378.376 2.063 20 0 GEADLO CC[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000542132639 532765125 /nfs/dbraw/zinc/76/51/25/532765125.db2.gz GGFSZSFUOBXALN-CYBMUJFWSA-N 1 2 376.404 2.334 20 0 GEADLO Cc1cc(N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ncc1Br ZINC000542123731 532765350 /nfs/dbraw/zinc/76/53/50/532765350.db2.gz VZLDOKJNGTYOIY-CYBMUJFWSA-N 1 2 378.274 2.489 20 0 GEADLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268502983 532767435 /nfs/dbraw/zinc/76/74/35/532767435.db2.gz XTPAFYSFVKCOIB-RSQPEXBXSA-N 1 2 388.295 2.134 20 0 GEADLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000268502983 532767439 /nfs/dbraw/zinc/76/74/39/532767439.db2.gz XTPAFYSFVKCOIB-RSQPEXBXSA-N 1 2 388.295 2.134 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000542249578 532768169 /nfs/dbraw/zinc/76/81/69/532768169.db2.gz UBYCTHQNDBPWOB-CVEARBPZSA-N 1 2 387.933 2.209 20 0 GEADLO CN(Cc1ccccc1Br)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000302232346 532768423 /nfs/dbraw/zinc/76/84/23/532768423.db2.gz YLBWTOOJZLCSGN-UHFFFAOYSA-N 1 2 390.285 2.154 20 0 GEADLO CN(Cc1ccccc1Br)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000302232346 532768426 /nfs/dbraw/zinc/76/84/26/532768426.db2.gz YLBWTOOJZLCSGN-UHFFFAOYSA-N 1 2 390.285 2.154 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)NCCc2cn(C)c[nH+]2)cc1Br ZINC000411592542 532768659 /nfs/dbraw/zinc/76/86/59/532768659.db2.gz CXZRIWRVMNZQCQ-UHFFFAOYSA-N 1 2 379.258 2.097 20 0 GEADLO Cc1cc(Cl)cc(NC(=O)C(=O)NCCc2cn(C)c[nH+]2)c1Br ZINC000411596232 532769244 /nfs/dbraw/zinc/76/92/44/532769244.db2.gz LDEVAJKFLRZOFR-UHFFFAOYSA-N 1 2 399.676 2.442 20 0 GEADLO CN(Cc1csc(Br)c1)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000302560688 532771432 /nfs/dbraw/zinc/77/14/32/532771432.db2.gz LGEVLTDILLZACW-UHFFFAOYSA-N 1 2 396.314 2.215 20 0 GEADLO CN(Cc1csc(Br)c1)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000302560688 532771435 /nfs/dbraw/zinc/77/14/35/532771435.db2.gz LGEVLTDILLZACW-UHFFFAOYSA-N 1 2 396.314 2.215 20 0 GEADLO CN1CCN(c2cc(NCc3cc(F)ccc3Br)[nH+]cn2)CC1=O ZINC000302594615 532771636 /nfs/dbraw/zinc/77/16/36/532771636.db2.gz WXSOHTNMGAQOOH-UHFFFAOYSA-N 1 2 394.248 2.269 20 0 GEADLO CN1CCN(c2cc(NCc3cc(F)ccc3Br)nc[nH+]2)CC1=O ZINC000302594615 532771638 /nfs/dbraw/zinc/77/16/38/532771638.db2.gz WXSOHTNMGAQOOH-UHFFFAOYSA-N 1 2 394.248 2.269 20 0 GEADLO CN1CCN(c2cc(NCc3ccc(F)cc3Br)[nH+]cn2)CC1=O ZINC000302604088 532771682 /nfs/dbraw/zinc/77/16/82/532771682.db2.gz ZJONQZVOLOTRBF-UHFFFAOYSA-N 1 2 394.248 2.269 20 0 GEADLO CN1CCN(c2cc(NCc3ccc(F)cc3Br)nc[nH+]2)CC1=O ZINC000302604088 532771684 /nfs/dbraw/zinc/77/16/84/532771684.db2.gz ZJONQZVOLOTRBF-UHFFFAOYSA-N 1 2 394.248 2.269 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000510019414 532772211 /nfs/dbraw/zinc/77/22/11/532772211.db2.gz FPHDEHHDIOKGTA-ZJUUUORDSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000510019414 532772215 /nfs/dbraw/zinc/77/22/15/532772215.db2.gz FPHDEHHDIOKGTA-ZJUUUORDSA-N 1 2 395.308 2.493 20 0 GEADLO CC(C)Oc1cc[nH+]cc1COC(=O)c1nc2ncc(Br)cn2n1 ZINC000286871693 532773665 /nfs/dbraw/zinc/77/36/65/532773665.db2.gz HLYFVFVXKLIXNE-UHFFFAOYSA-N 1 2 392.213 2.426 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000286882701 532774312 /nfs/dbraw/zinc/77/43/12/532774312.db2.gz ODYFDWKNVXZLPJ-AWEZNQCLSA-N 1 2 378.885 2.006 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000545196255 532783685 /nfs/dbraw/zinc/78/36/85/532783685.db2.gz DJICCMGKSHQREO-NSHDSACASA-N 1 2 379.258 2.468 20 0 GEADLO CNC(=O)NC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000412057381 532784200 /nfs/dbraw/zinc/78/42/00/532784200.db2.gz XGQZDWCGOPAMQV-HNNXBMFYSA-N 1 2 385.295 2.492 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+]([C@@H](C)C(=O)Nc2nc3ccccc3s2)C1 ZINC000412069624 532784797 /nfs/dbraw/zinc/78/47/97/532784797.db2.gz HOVRGQJDWJZIQA-NWDGAFQWSA-N 1 2 379.507 2.461 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+]([C@@H](C)C(=O)Nc2nc3ccccc3s2)C1 ZINC000412069624 532784801 /nfs/dbraw/zinc/78/48/01/532784801.db2.gz HOVRGQJDWJZIQA-NWDGAFQWSA-N 1 2 379.507 2.461 20 0 GEADLO COC(=O)c1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000269636108 532785169 /nfs/dbraw/zinc/78/51/69/532785169.db2.gz BRCQIRADWXAAIB-AWEZNQCLSA-N 1 2 386.470 2.255 20 0 GEADLO CN(C)C(=O)Cc1nc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)cs1 ZINC000545932827 532785230 /nfs/dbraw/zinc/78/52/30/532785230.db2.gz KZGDEMUQXFFMHQ-OAHLLOKOSA-N 1 2 379.448 2.299 20 0 GEADLO O=C(Cn1cnc(Br)n1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000287198071 532786107 /nfs/dbraw/zinc/78/61/07/532786107.db2.gz LONNVRCQQSVMIU-UHFFFAOYSA-N 1 2 398.692 2.038 20 0 GEADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1nc2ccccc2cc1Br ZINC000457110131 532786850 /nfs/dbraw/zinc/78/68/50/532786850.db2.gz YQXZRWUVCWYYHM-GFCCVEGCSA-N 1 2 378.270 2.136 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1nc2ccccc2cc1Br ZINC000457110131 532786855 /nfs/dbraw/zinc/78/68/55/532786855.db2.gz YQXZRWUVCWYYHM-GFCCVEGCSA-N 1 2 378.270 2.136 20 0 GEADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)[NH+]1CCSCC1 ZINC000269717012 532787675 /nfs/dbraw/zinc/78/76/75/532787675.db2.gz QEHOAZZPQFCQIN-CYBMUJFWSA-N 1 2 385.555 2.139 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cscc2Br)C1 ZINC000412355790 532789442 /nfs/dbraw/zinc/78/94/42/532789442.db2.gz LSHKWCJGTVBIRV-SNVBAGLBSA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cscc2Br)C1 ZINC000412355790 532789444 /nfs/dbraw/zinc/78/94/44/532789444.db2.gz LSHKWCJGTVBIRV-SNVBAGLBSA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C)cc2Br)C1 ZINC000412355205 532789470 /nfs/dbraw/zinc/78/94/70/532789470.db2.gz AYBZPCSVIXKRLK-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C)cc2Br)C1 ZINC000412355205 532789472 /nfs/dbraw/zinc/78/94/72/532789472.db2.gz AYBZPCSVIXKRLK-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO COc1cc(Br)ccc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287425902 532794942 /nfs/dbraw/zinc/79/49/42/532794942.db2.gz QLDUXBUDFAWDNB-OCCSQVGLSA-N 1 2 383.286 2.393 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000455992702 532780500 /nfs/dbraw/zinc/78/05/00/532780500.db2.gz GFYRQHIRCVDART-ZNMIVQPWSA-N 1 2 392.253 2.176 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000455992702 532780505 /nfs/dbraw/zinc/78/05/05/532780505.db2.gz GFYRQHIRCVDART-ZNMIVQPWSA-N 1 2 392.253 2.176 20 0 GEADLO Cc1ccc2[nH+]c(CNC(=O)NCCCn3cc(Br)cn3)cn2c1 ZINC000287069410 532781810 /nfs/dbraw/zinc/78/18/10/532781810.db2.gz HGDNITDSOQPORC-UHFFFAOYSA-N 1 2 391.273 2.491 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000329356196 532806482 /nfs/dbraw/zinc/80/64/82/532806482.db2.gz GWOUNLYKQVYWPZ-RLCCDNCMSA-N 1 2 375.897 2.401 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000329356196 532806483 /nfs/dbraw/zinc/80/64/83/532806483.db2.gz GWOUNLYKQVYWPZ-RLCCDNCMSA-N 1 2 375.897 2.401 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000554954219 532806842 /nfs/dbraw/zinc/80/68/42/532806842.db2.gz KJLDBVSHSSTOJW-QWHCGFSZSA-N 1 2 380.432 2.401 20 0 GEADLO C[C@@H]1[C@@H](CO)CCCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000413150869 532807335 /nfs/dbraw/zinc/80/73/35/532807335.db2.gz FIOQMMCFTUPKRI-VXGBXAGGSA-N 1 2 381.274 2.399 20 0 GEADLO Cc1cc(CNc2cc(NC[C@H](C)O)[nH+]cn2)ccc1I ZINC000413264468 532808683 /nfs/dbraw/zinc/80/86/83/532808683.db2.gz IIUOGJXLGIGEOC-NSHDSACASA-N 1 2 398.248 2.794 20 0 GEADLO Cc1cc(CNc2cc(NC[C@H](C)O)nc[nH+]2)ccc1I ZINC000413264468 532808686 /nfs/dbraw/zinc/80/86/86/532808686.db2.gz IIUOGJXLGIGEOC-NSHDSACASA-N 1 2 398.248 2.794 20 0 GEADLO CC(C)(C)c1cc(CS(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)no1 ZINC000556376512 532810790 /nfs/dbraw/zinc/81/07/90/532810790.db2.gz RHTJLXZIZGOAQI-UHFFFAOYSA-N 1 2 380.392 2.351 20 0 GEADLO C[C@H](NS(=O)(=O)CCC(F)(F)F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000556376162 532810843 /nfs/dbraw/zinc/81/08/43/532810843.db2.gz XCYDSQSVUXKBPC-DZGCQCFKSA-N 1 2 380.432 2.148 20 0 GEADLO C[C@H](NS(=O)(=O)CCC(F)(F)F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000556376162 532810846 /nfs/dbraw/zinc/81/08/46/532810846.db2.gz XCYDSQSVUXKBPC-DZGCQCFKSA-N 1 2 380.432 2.148 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)Cc1ccc(I)cc1 ZINC000271638302 532811067 /nfs/dbraw/zinc/81/10/67/532811067.db2.gz QUGVBEIDGVMPSM-UHFFFAOYSA-N 1 2 376.219 2.140 20 0 GEADLO CN(C(=O)C[NH2+][C@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000270646609 532800052 /nfs/dbraw/zinc/80/00/52/532800052.db2.gz ZLHMQNFUYZHCSA-INIZCTEOSA-N 1 2 382.302 2.356 20 0 GEADLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)COc2ccsc2Cl)CC1 ZINC000328930420 532800097 /nfs/dbraw/zinc/80/00/97/532800097.db2.gz ZCHCPMTUVFFPKM-UHFFFAOYSA-N 1 2 382.917 2.475 20 0 GEADLO Cc1nc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)ccc1Br ZINC000287569954 532800112 /nfs/dbraw/zinc/80/01/12/532800112.db2.gz NBHAKWIQANJEFB-YPMHNXCESA-N 1 2 383.290 2.479 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCCCc1ccc(Cl)s1 ZINC000551554947 532800142 /nfs/dbraw/zinc/80/01/42/532800142.db2.gz KABYTZBAVWYBHL-UHFFFAOYSA-N 1 2 380.963 2.366 20 0 GEADLO CCC[N@H+](Cc1ccc(C(=O)OC)cc1Br)[C@@H]1CC(=O)N(C)C1=O ZINC000551578283 532801071 /nfs/dbraw/zinc/80/10/71/532801071.db2.gz BIVWAWMYRBWNNN-CQSZACIVSA-N 1 2 397.269 2.205 20 0 GEADLO CCC[N@@H+](Cc1ccc(C(=O)OC)cc1Br)[C@@H]1CC(=O)N(C)C1=O ZINC000551578283 532801076 /nfs/dbraw/zinc/80/10/76/532801076.db2.gz BIVWAWMYRBWNNN-CQSZACIVSA-N 1 2 397.269 2.205 20 0 GEADLO Cc1nc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)sc1Br ZINC000329143452 532803008 /nfs/dbraw/zinc/80/30/08/532803008.db2.gz MEKHOZDNLMGZOE-ONGXEEELSA-N 1 2 394.360 2.461 20 0 GEADLO Cc1nc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)sc1Br ZINC000329143452 532803010 /nfs/dbraw/zinc/80/30/10/532803010.db2.gz MEKHOZDNLMGZOE-ONGXEEELSA-N 1 2 394.360 2.461 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC1 ZINC000271180922 532803769 /nfs/dbraw/zinc/80/37/69/532803769.db2.gz MEAUTOXQCJGPSZ-UHFFFAOYSA-N 1 2 385.921 2.179 20 0 GEADLO Cc1csc(C2([NH2+]Cc3cnn([C@@]4(C)CCS(=O)(=O)C4)c3)CCC2)n1 ZINC000329256656 532804110 /nfs/dbraw/zinc/80/41/10/532804110.db2.gz DSDXBILFIGKNGJ-INIZCTEOSA-N 1 2 380.539 2.351 20 0 GEADLO CSCCCCCNC(=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000287869789 532812207 /nfs/dbraw/zinc/81/22/07/532812207.db2.gz NGQXTIQORWQBGM-UHFFFAOYSA-N 1 2 380.436 2.053 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000330419268 532817918 /nfs/dbraw/zinc/81/79/18/532817918.db2.gz QGXHBGBNVWRTHF-GFCCVEGCSA-N 1 2 380.432 2.260 20 0 GEADLO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330206063 532815722 /nfs/dbraw/zinc/81/57/22/532815722.db2.gz DWZKYGHZVNTYCV-NEPJUHHUSA-N 1 2 381.889 2.349 20 0 GEADLO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330206063 532815725 /nfs/dbraw/zinc/81/57/25/532815725.db2.gz DWZKYGHZVNTYCV-NEPJUHHUSA-N 1 2 381.889 2.349 20 0 GEADLO Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000330234558 532816293 /nfs/dbraw/zinc/81/62/93/532816293.db2.gz YJNBZKDXHDMCFZ-VIFPVBQESA-N 1 2 376.301 2.309 20 0 GEADLO CC(C)[N@@H+]1CCc2nc(NS(=O)(=O)c3cn(C)c(Cl)n3)sc2C1 ZINC000272904959 532819083 /nfs/dbraw/zinc/81/90/83/532819083.db2.gz BITTYJXZHHGLPP-UHFFFAOYSA-N 1 2 375.907 2.097 20 0 GEADLO CC(C)[N@H+]1CCc2nc(NS(=O)(=O)c3cn(C)c(Cl)n3)sc2C1 ZINC000272904959 532819087 /nfs/dbraw/zinc/81/90/87/532819087.db2.gz BITTYJXZHHGLPP-UHFFFAOYSA-N 1 2 375.907 2.097 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414368570 532822838 /nfs/dbraw/zinc/82/28/38/532822838.db2.gz HETAWCWAGVKMEO-UHFFFAOYSA-N 1 2 376.425 2.302 20 0 GEADLO COCCOCCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273310942 532823163 /nfs/dbraw/zinc/82/31/63/532823163.db2.gz PWAMSNFGDYAWCC-UHFFFAOYSA-N 1 2 384.274 2.117 20 0 GEADLO CCCN(C)S(=O)(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273546036 532826392 /nfs/dbraw/zinc/82/63/92/532826392.db2.gz VAQYSRWDKDOWJP-UHFFFAOYSA-N 1 2 389.319 2.124 20 0 GEADLO CC(C)c1n[nH]c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1Br ZINC000330653950 532823920 /nfs/dbraw/zinc/82/39/20/532823920.db2.gz MRJBFSPYUQFJMD-GFCCVEGCSA-N 1 2 387.322 2.382 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3CCOC3)[nH+]c12 ZINC000273440244 532824139 /nfs/dbraw/zinc/82/41/39/532824139.db2.gz WCQGCEHIVDRWNF-GFCCVEGCSA-N 1 2 381.274 2.283 20 0 GEADLO COc1cc(OC)c(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)cc1Cl ZINC000414448419 532827939 /nfs/dbraw/zinc/82/79/39/532827939.db2.gz ZVYOGIWLIPQSAZ-UHFFFAOYSA-N 1 2 383.857 2.397 20 0 GEADLO COc1cc(OCC[NH+](C)C)ccc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000414470273 532830351 /nfs/dbraw/zinc/83/03/51/532830351.db2.gz IIIWVFDKGQQTCU-UHFFFAOYSA-N 1 2 385.873 2.485 20 0 GEADLO O=C(c1c(F)ccc(Br)c1F)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330941282 532830354 /nfs/dbraw/zinc/83/03/54/532830354.db2.gz CVWFPSVXIWGISO-UHFFFAOYSA-N 1 2 385.212 2.408 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)[C@H](C)CO)[nH+]c12 ZINC000273676247 532830605 /nfs/dbraw/zinc/83/06/05/532830605.db2.gz YJVUOYMCSWYZHC-NEPJUHHUSA-N 1 2 383.290 2.264 20 0 GEADLO Cc1c(CNC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)cnn1C ZINC000273647177 532829363 /nfs/dbraw/zinc/82/93/63/532829363.db2.gz IDVWBRXGJVVVEQ-UHFFFAOYSA-N 1 2 391.273 2.447 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000414570994 532832687 /nfs/dbraw/zinc/83/26/87/532832687.db2.gz UCRXZMJPQWKBMV-NSHDSACASA-N 1 2 384.864 2.398 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000414570994 532832689 /nfs/dbraw/zinc/83/26/89/532832689.db2.gz UCRXZMJPQWKBMV-NSHDSACASA-N 1 2 384.864 2.398 20 0 GEADLO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000330983405 532831262 /nfs/dbraw/zinc/83/12/62/532831262.db2.gz FNYAGOQXPZEAGF-UHFFFAOYSA-N 1 2 377.913 2.174 20 0 GEADLO COc1cc(C)c(S(=O)(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000331185194 532835438 /nfs/dbraw/zinc/83/54/38/532835438.db2.gz ISOYJEACNWOIFX-AWEZNQCLSA-N 1 2 390.933 2.292 20 0 GEADLO COc1cc(C)c(S(=O)(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000331185194 532835441 /nfs/dbraw/zinc/83/54/41/532835441.db2.gz ISOYJEACNWOIFX-AWEZNQCLSA-N 1 2 390.933 2.292 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)N1CCC(n2cc[nH+]c2)CC1 ZINC000288804058 532838543 /nfs/dbraw/zinc/83/85/43/532838543.db2.gz JKKLLYKXBNEPRM-UHFFFAOYSA-N 1 2 381.278 2.279 20 0 GEADLO C[C@@H]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)C[C@H]1n1cc[nH+]c1 ZINC000331456901 532840318 /nfs/dbraw/zinc/84/03/18/532840318.db2.gz KAXIEIFBYOAVKC-TZMCWYRMSA-N 1 2 382.511 2.141 20 0 GEADLO Cc1ccc(S(=O)(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c2cccnc12 ZINC000328633329 206237795 /nfs/dbraw/zinc/23/77/95/206237795.db2.gz SMEPOOVETPJRTH-PBHICJAKSA-N 1 2 386.477 2.475 20 0 GEADLO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(=O)n3c(C)cccc3n2)n1C ZINC000328649322 206238239 /nfs/dbraw/zinc/23/82/39/206238239.db2.gz UYBAIFLEYANYSA-SFHVURJKSA-N 1 2 393.491 2.428 20 0 GEADLO CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2cc(=O)n3c(C)cccc3n2)n1C ZINC000328649322 206238244 /nfs/dbraw/zinc/23/82/44/206238244.db2.gz UYBAIFLEYANYSA-SFHVURJKSA-N 1 2 393.491 2.428 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)Oc1ccc(F)cc1Br ZINC000274166726 532843008 /nfs/dbraw/zinc/84/30/08/532843008.db2.gz GKBAIDXUYJYXBQ-UHFFFAOYSA-N 1 2 382.251 2.019 20 0 GEADLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)c1 ZINC000359939768 206272598 /nfs/dbraw/zinc/27/25/98/206272598.db2.gz BDQSQGHAQBZXNC-HNNXBMFYSA-N 1 2 397.479 2.148 20 0 GEADLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)c1 ZINC000359939768 206272601 /nfs/dbraw/zinc/27/26/01/206272601.db2.gz BDQSQGHAQBZXNC-HNNXBMFYSA-N 1 2 397.479 2.148 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000331706032 532843418 /nfs/dbraw/zinc/84/34/18/532843418.db2.gz HSGYERUZWJWXHS-AWEZNQCLSA-N 1 2 383.286 2.152 20 0 GEADLO COc1cccc(N2CC[NH+](C[C@@H](O)COc3cccc(C(C)=O)c3)CC2)c1 ZINC000030380420 206304268 /nfs/dbraw/zinc/30/42/68/206304268.db2.gz MGYKILFGZRQEFK-HXUWFJFHSA-N 1 2 384.476 2.460 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000274221595 532844826 /nfs/dbraw/zinc/84/48/26/532844826.db2.gz VGYZAJZHXYTPDJ-OLZOCXBDSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000274221595 532844829 /nfs/dbraw/zinc/84/48/29/532844829.db2.gz VGYZAJZHXYTPDJ-OLZOCXBDSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000274221597 532845167 /nfs/dbraw/zinc/84/51/67/532845167.db2.gz VGYZAJZHXYTPDJ-QWHCGFSZSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000274221597 532845170 /nfs/dbraw/zinc/84/51/70/532845170.db2.gz VGYZAJZHXYTPDJ-QWHCGFSZSA-N 1 2 382.309 2.242 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000274232641 532845456 /nfs/dbraw/zinc/84/54/56/532845456.db2.gz RECPAXAMJPJZPL-MRXNPFEDSA-N 1 2 388.917 2.195 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000331829189 532845586 /nfs/dbraw/zinc/84/55/86/532845586.db2.gz XJEJKWFKGQGUER-CYBMUJFWSA-N 1 2 379.507 2.325 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000331829189 532845588 /nfs/dbraw/zinc/84/55/88/532845588.db2.gz XJEJKWFKGQGUER-CYBMUJFWSA-N 1 2 379.507 2.325 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000331968507 532847011 /nfs/dbraw/zinc/84/70/11/532847011.db2.gz CDRIUOBJYIXWAL-UHFFFAOYSA-N 1 2 395.297 2.452 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000331968507 532847014 /nfs/dbraw/zinc/84/70/14/532847014.db2.gz CDRIUOBJYIXWAL-UHFFFAOYSA-N 1 2 395.297 2.452 20 0 GEADLO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000332083478 532848421 /nfs/dbraw/zinc/84/84/21/532848421.db2.gz BZKUFMUHLKSNAC-IMJJTQAJSA-N 1 2 386.539 2.098 20 0 GEADLO O=C(c1ccc(Cl)cc1)C1CC[NH+](CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000332098224 532848805 /nfs/dbraw/zinc/84/88/05/532848805.db2.gz CYMGKFHHBMSYBK-UHFFFAOYSA-N 1 2 385.913 2.174 20 0 GEADLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1csc(S(C)(=O)=O)c1)C2 ZINC000332183353 532849264 /nfs/dbraw/zinc/84/92/64/532849264.db2.gz AHLAJPXBTKUIKZ-LBPRGKRZSA-N 1 2 381.523 2.390 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000289192340 532849399 /nfs/dbraw/zinc/84/93/99/532849399.db2.gz UFMWOOXXJOROJK-YPMHNXCESA-N 1 2 386.279 2.254 20 0 GEADLO C[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000332187838 532849351 /nfs/dbraw/zinc/84/93/51/532849351.db2.gz OYLNIGYVJSGBNH-ABAIWWIYSA-N 1 2 391.320 2.465 20 0 GEADLO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000332187838 532849354 /nfs/dbraw/zinc/84/93/54/532849354.db2.gz OYLNIGYVJSGBNH-ABAIWWIYSA-N 1 2 391.320 2.465 20 0 GEADLO O=C(CCn1cc(Br)ccc1=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332180034 532849616 /nfs/dbraw/zinc/84/96/16/532849616.db2.gz NDWDNLGIAXSNLN-LBPRGKRZSA-N 1 2 379.258 2.130 20 0 GEADLO O=C(c1ccc(Cl)c(Br)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000332277020 532851399 /nfs/dbraw/zinc/85/13/99/532851399.db2.gz KANCXUUXTNHDGR-UHFFFAOYSA-N 1 2 398.692 2.152 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000289264468 532851448 /nfs/dbraw/zinc/85/14/48/532851448.db2.gz XZMWPSNHZKAMSA-XHDPSFHLSA-N 1 2 386.279 2.254 20 0 GEADLO Cc1cc(S(C)(=O)=O)cc(NC(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1C ZINC000415656486 532852133 /nfs/dbraw/zinc/85/21/33/532852133.db2.gz PCQJCKFVBPUKBB-GFCCVEGCSA-N 1 2 375.441 2.073 20 0 GEADLO CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000289272355 532851768 /nfs/dbraw/zinc/85/17/68/532851768.db2.gz ZRIVVWYKXVWMMS-QWRGUYRKSA-N 1 2 383.392 2.151 20 0 GEADLO CCN1CCN(S(=O)(=O)c2cc(OC)ccc2Cl)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332361806 532852773 /nfs/dbraw/zinc/85/27/73/532852773.db2.gz VBMISQRTNBRVSE-CQSZACIVSA-N 1 2 384.889 2.139 20 0 GEADLO CN1CCN(c2cc(NCc3sccc3Br)[nH+]cn2)CC1=O ZINC000274817981 532857550 /nfs/dbraw/zinc/85/75/50/532857550.db2.gz OWUOGUQIOGJALB-UHFFFAOYSA-N 1 2 382.287 2.191 20 0 GEADLO CN1CCN(c2cc(NCc3sccc3Br)nc[nH+]2)CC1=O ZINC000274817981 532857552 /nfs/dbraw/zinc/85/75/52/532857552.db2.gz OWUOGUQIOGJALB-UHFFFAOYSA-N 1 2 382.287 2.191 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2Br)C1 ZINC000289530443 532858009 /nfs/dbraw/zinc/85/80/09/532858009.db2.gz PVYPIAHYGLHBMM-CYBMUJFWSA-N 1 2 377.304 2.011 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC000289530443 532858010 /nfs/dbraw/zinc/85/80/10/532858010.db2.gz PVYPIAHYGLHBMM-CYBMUJFWSA-N 1 2 377.304 2.011 20 0 GEADLO C[C@H]1[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CCOC1(C)C ZINC000332610744 532858043 /nfs/dbraw/zinc/85/80/43/532858043.db2.gz LBJHKWZAWYJHRN-GFCCVEGCSA-N 1 2 398.301 2.003 20 0 GEADLO C[C@H]1[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CCOC1(C)C ZINC000332610744 532858046 /nfs/dbraw/zinc/85/80/46/532858046.db2.gz LBJHKWZAWYJHRN-GFCCVEGCSA-N 1 2 398.301 2.003 20 0 GEADLO Cc1c(Cl)cc(F)c(NC(=O)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1F ZINC000415804421 532858245 /nfs/dbraw/zinc/85/82/45/532858245.db2.gz KXSAXACVPVKDTR-QMMMGPOBSA-N 1 2 381.757 2.226 20 0 GEADLO Cc1cc(Br)c2c(c1)CN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC2 ZINC000332687420 532860265 /nfs/dbraw/zinc/86/02/65/532860265.db2.gz OZGAQYIJXZMSRK-UHFFFAOYSA-N 1 2 396.329 2.099 20 0 GEADLO Cc1cc(Br)c2c(c1)CN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC2 ZINC000332687420 532860268 /nfs/dbraw/zinc/86/02/68/532860268.db2.gz OZGAQYIJXZMSRK-UHFFFAOYSA-N 1 2 396.329 2.099 20 0 GEADLO C[C@H]1C[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000333053666 532863467 /nfs/dbraw/zinc/86/34/67/532863467.db2.gz CAJBUMBKAMCERF-RYUDHWBXSA-N 1 2 399.289 2.370 20 0 GEADLO COc1ccc(Br)cc1C1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000416126281 532864275 /nfs/dbraw/zinc/86/42/75/532864275.db2.gz DGLZHYJSVLJXLE-ZDUSSCGKSA-N 1 2 397.313 2.326 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000333125375 532864328 /nfs/dbraw/zinc/86/43/28/532864328.db2.gz VWZHJXILFDPHQV-KRWDZBQOSA-N 1 2 379.551 2.183 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000333125375 532864331 /nfs/dbraw/zinc/86/43/31/532864331.db2.gz VWZHJXILFDPHQV-KRWDZBQOSA-N 1 2 379.551 2.183 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)Cc2cc(Cl)c(Br)cc2F)C1 ZINC000416162716 532865836 /nfs/dbraw/zinc/86/58/36/532865836.db2.gz VXBLZFBHNWGJNI-LLVKDONJSA-N 1 2 392.700 2.146 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)Cc2cc(Cl)c(Br)cc2F)C1 ZINC000416162716 532865838 /nfs/dbraw/zinc/86/58/38/532865838.db2.gz VXBLZFBHNWGJNI-LLVKDONJSA-N 1 2 392.700 2.146 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H](C)c1nncn1C ZINC000275194110 532868236 /nfs/dbraw/zinc/86/82/36/532868236.db2.gz PJIWYMAPMYAELK-MRVPVSSYSA-N 1 2 386.239 2.198 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CCC(=O)CC1 ZINC000333487167 532869246 /nfs/dbraw/zinc/86/92/46/532869246.db2.gz IGSLXWWPILKMLY-UHFFFAOYSA-N 1 2 382.258 2.379 20 0 GEADLO C[C@@H]1CN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[S@](=O)C1 ZINC000333542904 532870254 /nfs/dbraw/zinc/87/02/54/532870254.db2.gz ASFVCZALNXXFIR-STFLBKPXSA-N 1 2 389.319 2.142 20 0 GEADLO Cc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)c(F)cc1Br ZINC000416364165 532871321 /nfs/dbraw/zinc/87/13/21/532871321.db2.gz USDPXFGKYWVZJN-UHFFFAOYSA-N 1 2 376.251 2.462 20 0 GEADLO CN(C)c1cc(NC(=O)N2CC[C@@H](N3CCCC3=O)C2)[nH+]cc1Br ZINC000333646489 532871720 /nfs/dbraw/zinc/87/17/20/532871720.db2.gz JUHIXPZAKPSYRN-LLVKDONJSA-N 1 2 396.289 2.139 20 0 GEADLO CN(C)c1cc(NC(=O)N2CC[C@H](N3CCCC3=O)C2)[nH+]cc1Br ZINC000333646491 532871512 /nfs/dbraw/zinc/87/15/12/532871512.db2.gz JUHIXPZAKPSYRN-NSHDSACASA-N 1 2 396.289 2.139 20 0 GEADLO COc1cc(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1Cl ZINC000416370199 532872592 /nfs/dbraw/zinc/87/25/92/532872592.db2.gz GYJXNFOBIJHCGX-STQMWFEESA-N 1 2 376.906 2.126 20 0 GEADLO CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3-n3cc[nH+]c3)ccc21 ZINC000019019266 207101649 /nfs/dbraw/zinc/10/16/49/207101649.db2.gz DOTRZDCDGCVQRB-UHFFFAOYSA-N 1 2 396.472 2.260 20 0 GEADLO CN(C)c1cc(NC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)[nH+]cc1Br ZINC000333746177 532872843 /nfs/dbraw/zinc/87/28/43/532872843.db2.gz YUDSLMZSGJXZAQ-BZNIZROVSA-N 1 2 399.289 2.370 20 0 GEADLO CSc1nnc(CNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)s1 ZINC000275372801 532874317 /nfs/dbraw/zinc/87/43/17/532874317.db2.gz AKMMDXFXMSOISY-UHFFFAOYSA-N 1 2 381.502 2.427 20 0 GEADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000416440536 532877566 /nfs/dbraw/zinc/87/75/66/532877566.db2.gz PFDDXPGHKWROLF-LLVKDONJSA-N 1 2 383.857 2.038 20 0 GEADLO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000348986391 532879696 /nfs/dbraw/zinc/87/96/96/532879696.db2.gz NYCHBUYEMCARHM-RISCZKNCSA-N 1 2 375.226 2.323 20 0 GEADLO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000348986391 532879698 /nfs/dbraw/zinc/87/96/98/532879698.db2.gz NYCHBUYEMCARHM-RISCZKNCSA-N 1 2 375.226 2.323 20 0 GEADLO NC(=O)CC1CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000290380886 532879732 /nfs/dbraw/zinc/87/97/32/532879732.db2.gz ILRNKKVOXKBVQQ-UHFFFAOYSA-N 1 2 378.274 2.117 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000290288658 532877383 /nfs/dbraw/zinc/87/73/83/532877383.db2.gz MPYFABWJVVVQJJ-UHFFFAOYSA-N 1 2 388.917 2.405 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)c3ncn(C)n3)[nH+]c12 ZINC000275808509 532883535 /nfs/dbraw/zinc/88/35/35/532883535.db2.gz LFJZJKNVRKKDDA-JTQLQIEISA-N 1 2 392.261 2.094 20 0 GEADLO Cc1nc(CC[N@@H+](C)Cc2cn(-c3ccccc3Br)nn2)no1 ZINC000290536594 532883828 /nfs/dbraw/zinc/88/38/28/532883828.db2.gz VSSHCQZWLMNRRJ-UHFFFAOYSA-N 1 2 377.246 2.396 20 0 GEADLO Cc1nc(CC[N@H+](C)Cc2cn(-c3ccccc3Br)nn2)no1 ZINC000290536594 532883833 /nfs/dbraw/zinc/88/38/33/532883833.db2.gz VSSHCQZWLMNRRJ-UHFFFAOYSA-N 1 2 377.246 2.396 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N(C)CC3(CO)CC3)[nH+]c12 ZINC000275668474 532881183 /nfs/dbraw/zinc/88/11/83/532881183.db2.gz RYUFHUFFSCEVGH-UHFFFAOYSA-N 1 2 395.301 2.362 20 0 GEADLO Cn1c[nH+]cc1Cc1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000350448955 532885757 /nfs/dbraw/zinc/88/57/57/532885757.db2.gz GOFMSXVUYXOLDO-UHFFFAOYSA-N 1 2 377.198 2.476 20 0 GEADLO C[C@H](NC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1nccs1 ZINC000420872753 532886831 /nfs/dbraw/zinc/88/68/31/532886831.db2.gz GRCPQKQUNOSWNA-FZMZJTMJSA-N 1 2 380.901 2.393 20 0 GEADLO Cc1ccc(Br)nc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000276107925 532889117 /nfs/dbraw/zinc/88/91/17/532889117.db2.gz HFQDRDTVBXTHMW-UHFFFAOYSA-N 1 2 391.269 2.314 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1cnc(Cl)c(Cl)c1 ZINC000360955122 532891772 /nfs/dbraw/zinc/89/17/72/532891772.db2.gz AAODRPHPSRNBPU-BXUZGUMPSA-N 1 2 394.324 2.168 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(Cl)ncc1Br ZINC000290896688 532892241 /nfs/dbraw/zinc/89/22/41/532892241.db2.gz KNHAUYOQCDASGV-ZWNOBZJWSA-N 1 2 388.693 2.433 20 0 GEADLO Cn1cc(Br)cc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1=O ZINC000361388729 532893181 /nfs/dbraw/zinc/89/31/81/532893181.db2.gz GJGCAYZGCPJJOV-GFCCVEGCSA-N 1 2 391.269 2.398 20 0 GEADLO O=C(CCOc1ccccc1I)N1CCn2c[nH+]cc2C1 ZINC000290970440 532893936 /nfs/dbraw/zinc/89/39/36/532893936.db2.gz SXDMYMCMFLZFSE-UHFFFAOYSA-N 1 2 397.216 2.299 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nnc(S(C)(=O)=O)s1 ZINC000276288146 532892733 /nfs/dbraw/zinc/89/27/33/532892733.db2.gz HGYBYTVVFXIGDG-AWEZNQCLSA-N 1 2 380.539 2.038 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1nnc(S(C)(=O)=O)s1 ZINC000276288146 532892734 /nfs/dbraw/zinc/89/27/34/532892734.db2.gz HGYBYTVVFXIGDG-AWEZNQCLSA-N 1 2 380.539 2.038 20 0 GEADLO O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCn2c[nH+]cc2C1 ZINC000291033389 532895581 /nfs/dbraw/zinc/89/55/81/532895581.db2.gz FKXZCQZKRDEBRG-LBPRGKRZSA-N 1 2 389.253 2.041 20 0 GEADLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000276483510 532896756 /nfs/dbraw/zinc/89/67/56/532896756.db2.gz SOICSQBTRLDTDN-LBPRGKRZSA-N 1 2 382.251 2.207 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000424651952 532897027 /nfs/dbraw/zinc/89/70/27/532897027.db2.gz VTKKMEFRVQVANI-UHFFFAOYSA-N 1 2 396.285 2.360 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000424651952 532897031 /nfs/dbraw/zinc/89/70/31/532897031.db2.gz VTKKMEFRVQVANI-UHFFFAOYSA-N 1 2 396.285 2.360 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000363154723 532897249 /nfs/dbraw/zinc/89/72/49/532897249.db2.gz XPKSYQYLHHEEJW-UHFFFAOYSA-N 1 2 394.269 2.089 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000363154723 532897252 /nfs/dbraw/zinc/89/72/52/532897252.db2.gz XPKSYQYLHHEEJW-UHFFFAOYSA-N 1 2 394.269 2.089 20 0 GEADLO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000291152717 532897670 /nfs/dbraw/zinc/89/76/70/532897670.db2.gz HANUQOUNDZXDPZ-ZDUSSCGKSA-N 1 2 393.285 2.262 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000363540140 532899347 /nfs/dbraw/zinc/89/93/47/532899347.db2.gz SSZALAFTGCRZCE-UHFFFAOYSA-N 1 2 379.917 2.362 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000363540140 532899348 /nfs/dbraw/zinc/89/93/48/532899348.db2.gz SSZALAFTGCRZCE-UHFFFAOYSA-N 1 2 379.917 2.362 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3CC[C@H](O)C3)[nH+]c12 ZINC000276690333 532899750 /nfs/dbraw/zinc/89/97/50/532899750.db2.gz WBWMLGBAJGVVAS-WFASDCNBSA-N 1 2 395.301 2.408 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000363692284 532900018 /nfs/dbraw/zinc/90/00/18/532900018.db2.gz VDJHXFRQLDYDOK-HOCLYGCPSA-N 1 2 379.448 2.414 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)N(C)C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000363692284 532900019 /nfs/dbraw/zinc/90/00/19/532900019.db2.gz VDJHXFRQLDYDOK-HOCLYGCPSA-N 1 2 379.448 2.414 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccc(Br)o2)CCN1c1nccn2cnnc12 ZINC000276727223 532900261 /nfs/dbraw/zinc/90/02/61/532900261.db2.gz GJOLHSORQBHFAK-NSHDSACASA-N 1 2 377.246 2.191 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccc(Br)o2)CCN1c1nccn2cnnc12 ZINC000276727223 532900262 /nfs/dbraw/zinc/90/02/62/532900262.db2.gz GJOLHSORQBHFAK-NSHDSACASA-N 1 2 377.246 2.191 20 0 GEADLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)N(C)C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000363692285 532900280 /nfs/dbraw/zinc/90/02/80/532900280.db2.gz VDJHXFRQLDYDOK-ZBFHGGJFSA-N 1 2 379.448 2.414 20 0 GEADLO CC[N@H+]1CC[C@@H](NS(=O)(=O)N(C)C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000363692285 532900282 /nfs/dbraw/zinc/90/02/82/532900282.db2.gz VDJHXFRQLDYDOK-ZBFHGGJFSA-N 1 2 379.448 2.414 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)CCNC(=O)c1ccc(Br)cc1)CC2 ZINC000363679490 532900418 /nfs/dbraw/zinc/90/04/18/532900418.db2.gz VXPNSTXNKFZGHQ-UHFFFAOYSA-N 1 2 391.269 2.116 20 0 GEADLO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000291218202 532898521 /nfs/dbraw/zinc/89/85/21/532898521.db2.gz GLKNSMYVXURPBA-ZDUSSCGKSA-N 1 2 381.523 2.401 20 0 GEADLO CN(C)c1ccc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000276857872 532902462 /nfs/dbraw/zinc/90/24/62/532902462.db2.gz FZWQQZIRTZGTMC-UHFFFAOYSA-N 1 2 376.404 2.332 20 0 GEADLO COc1cc(Cl)c(Cl)cc1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000276775672 532901033 /nfs/dbraw/zinc/90/10/33/532901033.db2.gz MBJRUMMBZWBMTK-LLVKDONJSA-N 1 2 392.283 2.159 20 0 GEADLO COc1cc(Br)ccc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000291418961 532901583 /nfs/dbraw/zinc/90/15/83/532901583.db2.gz KJJXKQAZFCSXEB-IUODEOHRSA-N 1 2 383.286 2.393 20 0 GEADLO C[C@@H](CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1ccc(F)c(Br)c1 ZINC000291608274 532905239 /nfs/dbraw/zinc/90/52/39/532905239.db2.gz DFHOODYANLZAOY-JSGCOSHPSA-N 1 2 386.309 2.444 20 0 GEADLO C[C@@H](CC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1ccc(F)c(Br)c1 ZINC000291608274 532905241 /nfs/dbraw/zinc/90/52/41/532905241.db2.gz DFHOODYANLZAOY-JSGCOSHPSA-N 1 2 386.309 2.444 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H](C)[C@H](CO)C3)[nH+]c12 ZINC000276905207 532903178 /nfs/dbraw/zinc/90/31/78/532903178.db2.gz VMLNPARRPAHYBQ-NEPJUHHUSA-N 1 2 381.274 2.175 20 0 GEADLO O=S(=O)(c1ccc(OCC(F)F)cc1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000364136166 532903776 /nfs/dbraw/zinc/90/37/76/532903776.db2.gz OMZAOTPETXVVEQ-CYBMUJFWSA-N 1 2 392.493 2.142 20 0 GEADLO C[C@@H](CNC(=O)C(C)(C)NC(=O)C(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000276956839 532904406 /nfs/dbraw/zinc/90/44/06/532904406.db2.gz CWKBTUBJBQGEEQ-JTQLQIEISA-N 1 2 377.432 2.068 20 0 GEADLO C[C@@H](CNC(=O)C(C)(C)NC(=O)C(F)(F)F)[N@H+]1CCc2sccc2C1 ZINC000276956839 532904408 /nfs/dbraw/zinc/90/44/08/532904408.db2.gz CWKBTUBJBQGEEQ-JTQLQIEISA-N 1 2 377.432 2.068 20 0 GEADLO Brc1ccc(CN2CCn3c[nH+]cc3C2)c(N2CCOCC2)c1 ZINC000291568466 532904441 /nfs/dbraw/zinc/90/44/41/532904441.db2.gz NQVQLJSQWXSDEM-UHFFFAOYSA-N 1 2 377.286 2.498 20 0 GEADLO O=S(=O)(CC[N@@H+]1CC[C@@H](n2cccn2)C1)c1cccc(Br)c1 ZINC000291636014 532906005 /nfs/dbraw/zinc/90/60/05/532906005.db2.gz DLXCOGNFGXCVCO-CQSZACIVSA-N 1 2 384.299 2.366 20 0 GEADLO O=S(=O)(CC[N@H+]1CC[C@@H](n2cccn2)C1)c1cccc(Br)c1 ZINC000291636014 532906008 /nfs/dbraw/zinc/90/60/08/532906008.db2.gz DLXCOGNFGXCVCO-CQSZACIVSA-N 1 2 384.299 2.366 20 0 GEADLO CN(C)S(=O)(=O)CCNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000291663151 532906403 /nfs/dbraw/zinc/90/64/03/532906403.db2.gz XSAAMFSMXBRAJI-UHFFFAOYSA-N 1 2 383.857 2.149 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1nc(C2CC2)ncc1Br ZINC000291673006 532906815 /nfs/dbraw/zinc/90/68/15/532906815.db2.gz CVHXUEWOOOJUMJ-AAEUAGOBSA-N 1 2 395.301 2.052 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](CS(C)(=O)=O)C1)c1ccsc1 ZINC000291699039 532907500 /nfs/dbraw/zinc/90/75/00/532907500.db2.gz UCIJKDKNSBDVGQ-GOEBONIOSA-N 1 2 387.571 2.207 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000364654188 532907694 /nfs/dbraw/zinc/90/76/94/532907694.db2.gz MLPBGZPSRHNJGC-IXDOHACOSA-N 1 2 394.313 2.451 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000364654188 532907696 /nfs/dbraw/zinc/90/76/96/532907696.db2.gz MLPBGZPSRHNJGC-IXDOHACOSA-N 1 2 394.313 2.451 20 0 GEADLO O=C(Nc1cc2ccccc2nc1Br)N1CC[NH+](CCO)CC1 ZINC000277081832 532907726 /nfs/dbraw/zinc/90/77/26/532907726.db2.gz MNYMELVBIUICLK-UHFFFAOYSA-N 1 2 379.258 2.139 20 0 GEADLO CCc1n[nH]c(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1Br ZINC000365535963 532910913 /nfs/dbraw/zinc/91/09/13/532910913.db2.gz IVUCLIOBSLKWPX-UHFFFAOYSA-N 1 2 378.274 2.482 20 0 GEADLO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000365395018 532910561 /nfs/dbraw/zinc/91/05/61/532910561.db2.gz UNGKMTOMJZAGHT-HNNXBMFYSA-N 1 2 396.329 2.037 20 0 GEADLO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000365395018 532910563 /nfs/dbraw/zinc/91/05/63/532910563.db2.gz UNGKMTOMJZAGHT-HNNXBMFYSA-N 1 2 396.329 2.037 20 0 GEADLO CCc1n[nH]c(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c1Br ZINC000365533343 532910872 /nfs/dbraw/zinc/91/08/72/532910872.db2.gz INNHUJFHLKEPNW-UHFFFAOYSA-N 1 2 375.230 2.245 20 0 GEADLO Cc1cnc(Br)c(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000292014261 532912059 /nfs/dbraw/zinc/91/20/59/532912059.db2.gz IZYHPWGDVMHSQW-QWHCGFSZSA-N 1 2 383.290 2.479 20 0 GEADLO C[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000292382771 532915659 /nfs/dbraw/zinc/91/56/59/532915659.db2.gz XMZHOOYNWXYIHI-DOMZBBRYSA-N 1 2 380.432 2.359 20 0 GEADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000292382771 532915661 /nfs/dbraw/zinc/91/56/61/532915661.db2.gz XMZHOOYNWXYIHI-DOMZBBRYSA-N 1 2 380.432 2.359 20 0 GEADLO COc1ccccc1-c1nc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cs1 ZINC000292371523 532915703 /nfs/dbraw/zinc/91/57/03/532915703.db2.gz YQKQNUJNMFVFRO-AWEZNQCLSA-N 1 2 381.523 2.284 20 0 GEADLO COc1ccccc1-c1nc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cs1 ZINC000292371523 532915705 /nfs/dbraw/zinc/91/57/05/532915705.db2.gz YQKQNUJNMFVFRO-AWEZNQCLSA-N 1 2 381.523 2.284 20 0 GEADLO O=C(c1nc(C2CC2)ncc1Br)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000366579694 532919067 /nfs/dbraw/zinc/91/90/67/532919067.db2.gz BETOKHIXJPTWCD-CYBMUJFWSA-N 1 2 395.301 2.053 20 0 GEADLO Cc1csc(NC(=O)[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C2)n1 ZINC000366452102 532917429 /nfs/dbraw/zinc/91/74/29/532917429.db2.gz UQEUCHCWWGNQJE-WDEREUQCSA-N 1 2 378.420 2.169 20 0 GEADLO Cc1csc(NC(=O)[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C2)n1 ZINC000366452102 532917430 /nfs/dbraw/zinc/91/74/30/532917430.db2.gz UQEUCHCWWGNQJE-WDEREUQCSA-N 1 2 378.420 2.169 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC[C@H](CS(C)(=O)=O)C3)c[nH+]c12 ZINC000292781191 532918283 /nfs/dbraw/zinc/91/82/83/532918283.db2.gz LKJIBASHXYIXIP-LBPRGKRZSA-N 1 2 386.315 2.272 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000366554612 532918769 /nfs/dbraw/zinc/91/87/69/532918769.db2.gz XKDCXQCJHNKJPH-MRXNPFEDSA-N 1 2 399.333 2.185 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000366554612 532918770 /nfs/dbraw/zinc/91/87/70/532918770.db2.gz XKDCXQCJHNKJPH-MRXNPFEDSA-N 1 2 399.333 2.185 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292992834 532920822 /nfs/dbraw/zinc/92/08/22/532920822.db2.gz OEVRKCIBFFEHHE-OAHLLOKOSA-N 1 2 381.274 2.379 20 0 GEADLO COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292992834 532920823 /nfs/dbraw/zinc/92/08/23/532920823.db2.gz OEVRKCIBFFEHHE-OAHLLOKOSA-N 1 2 381.274 2.379 20 0 GEADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccnc(Br)c2)C1 ZINC000293032261 532921455 /nfs/dbraw/zinc/92/14/55/532921455.db2.gz JBHZSHAYIJWPKH-AWEZNQCLSA-N 1 2 398.301 2.078 20 0 GEADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccnc(Br)c2)C1 ZINC000293032261 532921456 /nfs/dbraw/zinc/92/14/56/532921456.db2.gz JBHZSHAYIJWPKH-AWEZNQCLSA-N 1 2 398.301 2.078 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000367475267 532925411 /nfs/dbraw/zinc/92/54/11/532925411.db2.gz VQGKCSDYCILPOZ-CYBMUJFWSA-N 1 2 396.285 2.210 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000367475267 532925412 /nfs/dbraw/zinc/92/54/12/532925412.db2.gz VQGKCSDYCILPOZ-CYBMUJFWSA-N 1 2 396.285 2.210 20 0 GEADLO C[C@@H]1C[C@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C[N@@H+]1C1CC1 ZINC000293122200 532922558 /nfs/dbraw/zinc/92/25/58/532922558.db2.gz RBAWQCRWSFPRHN-NEPJUHHUSA-N 1 2 390.285 2.427 20 0 GEADLO C[C@@H]1C[C@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C[N@H+]1C1CC1 ZINC000293122200 532922559 /nfs/dbraw/zinc/92/25/59/532922559.db2.gz RBAWQCRWSFPRHN-NEPJUHHUSA-N 1 2 390.285 2.427 20 0 GEADLO CN1C(=O)[C@@H]2CN(c3cc[nH+]c4c(Br)ccc(F)c43)CCN2C1=O ZINC000367145369 532922986 /nfs/dbraw/zinc/92/29/86/532922986.db2.gz JZNPVYNSDVOWNN-LBPRGKRZSA-N 1 2 393.216 2.219 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CCc3cncnc3)[nH+]c12 ZINC000293184757 532923148 /nfs/dbraw/zinc/92/31/48/532923148.db2.gz OBGJPTAZEOLZAC-UHFFFAOYSA-N 1 2 388.269 2.487 20 0 GEADLO CCn1nc(C)c(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000293490901 532927886 /nfs/dbraw/zinc/92/78/86/532927886.db2.gz MHOUJGGQSOSMMQ-UHFFFAOYSA-N 1 2 391.273 2.298 20 0 GEADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)c3ccc(N)cc3)CC2)cs1 ZINC000368410725 532932265 /nfs/dbraw/zinc/93/22/65/532932265.db2.gz LHJXLLJCFQGRDR-UHFFFAOYSA-N 1 2 380.539 2.224 20 0 GEADLO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368153219 532930300 /nfs/dbraw/zinc/93/03/00/532930300.db2.gz RYAKCYJCDYYSIQ-QMMMGPOBSA-N 1 2 399.195 2.063 20 0 GEADLO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368153219 532930301 /nfs/dbraw/zinc/93/03/01/532930301.db2.gz RYAKCYJCDYYSIQ-QMMMGPOBSA-N 1 2 399.195 2.063 20 0 GEADLO Brc1cccc(Cc2noc(C[N@@H+]3CC[C@H](n4cncn4)C3)n2)c1 ZINC000368882253 532935154 /nfs/dbraw/zinc/93/51/54/532935154.db2.gz MNVTZVDUDKOLAO-AWEZNQCLSA-N 1 2 389.257 2.461 20 0 GEADLO Brc1cccc(Cc2noc(C[N@H+]3CC[C@H](n4cncn4)C3)n2)c1 ZINC000368882253 532935155 /nfs/dbraw/zinc/93/51/55/532935155.db2.gz MNVTZVDUDKOLAO-AWEZNQCLSA-N 1 2 389.257 2.461 20 0 GEADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCCn2nnnc21 ZINC000294093235 532935566 /nfs/dbraw/zinc/93/55/66/532935566.db2.gz ROKFUMJPKBWYEQ-AWEZNQCLSA-N 1 2 391.273 2.009 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](Cc2ccnc(Br)c2)C[C@@H]2CCCO2)C1 ZINC000293892459 532932825 /nfs/dbraw/zinc/93/28/25/532932825.db2.gz VHNNNVOWNAFARR-KBPBESRZSA-N 1 2 389.315 2.012 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccnc(Br)c2)C[C@@H]2CCCO2)C1 ZINC000293892459 532932828 /nfs/dbraw/zinc/93/28/28/532932828.db2.gz VHNNNVOWNAFARR-KBPBESRZSA-N 1 2 389.315 2.012 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(F)c1Cl ZINC000293906507 532933174 /nfs/dbraw/zinc/93/31/74/532933174.db2.gz WONAGYLMZDYJTK-DTORHVGOSA-N 1 2 395.859 2.290 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(F)c1Cl ZINC000293906507 532933175 /nfs/dbraw/zinc/93/31/75/532933175.db2.gz WONAGYLMZDYJTK-DTORHVGOSA-N 1 2 395.859 2.290 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCC[C@H](N4CCNC4=O)C3)c[nH+]c12 ZINC000368612965 532933481 /nfs/dbraw/zinc/93/34/81/532933481.db2.gz KWRUMNQHTSJKJU-AWEZNQCLSA-N 1 2 392.301 2.395 20 0 GEADLO COc1cc(C)c(Br)cc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000368608039 532933519 /nfs/dbraw/zinc/93/35/19/532933519.db2.gz KNCHEEUYGLYGNX-CYBMUJFWSA-N 1 2 383.286 2.313 20 0 GEADLO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ncc(Br)cc1F ZINC000368750964 532934079 /nfs/dbraw/zinc/93/40/79/532934079.db2.gz QDXRJUHVLXMVFG-QMTHXVAHSA-N 1 2 386.265 2.414 20 0 GEADLO C[C@@](O)(C[N@@H+]1CC[C@H](S(C)(=O)=O)C1)c1ccc(Br)cc1Cl ZINC000294014995 532934696 /nfs/dbraw/zinc/93/46/96/532934696.db2.gz GZMBBRWQXJQANE-SMDDNHRTSA-N 1 2 396.734 2.429 20 0 GEADLO C[C@@](O)(C[N@H+]1CC[C@H](S(C)(=O)=O)C1)c1ccc(Br)cc1Cl ZINC000294014995 532934697 /nfs/dbraw/zinc/93/46/97/532934697.db2.gz GZMBBRWQXJQANE-SMDDNHRTSA-N 1 2 396.734 2.429 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)NCCc3ccc(Cl)s3)CC2)CCCC1 ZINC000369097639 532937089 /nfs/dbraw/zinc/93/70/89/532937089.db2.gz NFLKNNDTUWALLN-UHFFFAOYSA-N 1 2 384.933 2.069 20 0 GEADLO Cc1nn(C)c(C[NH+]2CCC(NC(=O)c3cccn3C)CC2)c1Br ZINC000369216214 532937553 /nfs/dbraw/zinc/93/75/53/532937553.db2.gz SINPZUOIBKNPMZ-UHFFFAOYSA-N 1 2 394.317 2.224 20 0 GEADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCc3nnc(N)cc3C2)ccc1Br ZINC000369270622 532937848 /nfs/dbraw/zinc/93/78/48/532937848.db2.gz ZITPSAMYKRZSOJ-NSHDSACASA-N 1 2 390.285 2.515 20 0 GEADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCc3nnc(N)cc3C2)ccc1Br ZINC000369270622 532937850 /nfs/dbraw/zinc/93/78/50/532937850.db2.gz ZITPSAMYKRZSOJ-NSHDSACASA-N 1 2 390.285 2.515 20 0 GEADLO CC(C)COC[C@@H](O)C[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000369703135 532940429 /nfs/dbraw/zinc/94/04/29/532940429.db2.gz LTCDUMXHQWMERO-LBPRGKRZSA-N 1 2 393.347 2.223 20 0 GEADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000370343560 532942936 /nfs/dbraw/zinc/94/29/36/532942936.db2.gz PISSSXWKXBYVRQ-JTQLQIEISA-N 1 2 378.226 2.231 20 0 GEADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000370343560 532942937 /nfs/dbraw/zinc/94/29/37/532942937.db2.gz PISSSXWKXBYVRQ-JTQLQIEISA-N 1 2 378.226 2.231 20 0 GEADLO COc1c(Br)cc(Br)cc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000370384449 532943170 /nfs/dbraw/zinc/94/31/70/532943170.db2.gz DDBZBPWLANGZLV-WDEREUQCSA-N 1 2 395.091 2.148 20 0 GEADLO COc1c(Br)cc(Br)cc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000370384449 532943171 /nfs/dbraw/zinc/94/31/71/532943171.db2.gz DDBZBPWLANGZLV-WDEREUQCSA-N 1 2 395.091 2.148 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)[C@@H]3SCCc4sccc43)CC2)CCCC1 ZINC000369728024 532940639 /nfs/dbraw/zinc/94/06/39/532940639.db2.gz USUFDJXCSXBQEA-OAHLLOKOSA-N 1 2 379.551 2.021 20 0 GEADLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@]2(CCCOC2)O1 ZINC000369786679 532940847 /nfs/dbraw/zinc/94/08/47/532940847.db2.gz IUHLLKMQBTYPMF-QGZVFWFLSA-N 1 2 398.301 2.443 20 0 GEADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@]2(CCCOC2)O1 ZINC000369786679 532940848 /nfs/dbraw/zinc/94/08/48/532940848.db2.gz IUHLLKMQBTYPMF-QGZVFWFLSA-N 1 2 398.301 2.443 20 0 GEADLO O=C(c1ccc(Br)c(F)c1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000369807007 532940963 /nfs/dbraw/zinc/94/09/63/532940963.db2.gz BNLFVXQHFTUYQZ-OAHLLOKOSA-N 1 2 398.276 2.015 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369815814 532940987 /nfs/dbraw/zinc/94/09/87/532940987.db2.gz HJAIJAFWSAKLAR-KRWDZBQOSA-N 1 2 394.313 2.310 20 0 GEADLO CCSCC[C@H](C)N(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000369871337 532941156 /nfs/dbraw/zinc/94/11/56/532941156.db2.gz IACOEIFNZCUARV-DOTOQJQBSA-N 1 2 375.604 2.367 20 0 GEADLO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCCCNC1=O ZINC000369899300 532941239 /nfs/dbraw/zinc/94/12/39/532941239.db2.gz GJBNTDDQOIOSAL-LBPRGKRZSA-N 1 2 390.228 2.266 20 0 GEADLO C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCCCNC1=O ZINC000369899300 532941240 /nfs/dbraw/zinc/94/12/40/532941240.db2.gz GJBNTDDQOIOSAL-LBPRGKRZSA-N 1 2 390.228 2.266 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000370666356 532944810 /nfs/dbraw/zinc/94/48/10/532944810.db2.gz GVDKUVNTOIKBMD-OAHLLOKOSA-N 1 2 379.258 2.466 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000370755321 532945178 /nfs/dbraw/zinc/94/51/78/532945178.db2.gz DXLMWPGQAGOCFS-CQSZACIVSA-N 1 2 396.329 2.223 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000370755321 532945179 /nfs/dbraw/zinc/94/51/79/532945179.db2.gz DXLMWPGQAGOCFS-CQSZACIVSA-N 1 2 396.329 2.223 20 0 GEADLO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1nc2ccccn2c1Br ZINC000370743982 532945294 /nfs/dbraw/zinc/94/52/94/532945294.db2.gz ZNMGCGFCXWEMBG-ZDUSSCGKSA-N 1 2 390.285 2.453 20 0 GEADLO CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1 ZINC000370865160 532945889 /nfs/dbraw/zinc/94/58/89/532945889.db2.gz NQDLQXSYLKFICW-CZUORRHYSA-N 1 2 385.555 2.138 20 0 GEADLO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1 ZINC000370865160 532945890 /nfs/dbraw/zinc/94/58/90/532945890.db2.gz NQDLQXSYLKFICW-CZUORRHYSA-N 1 2 385.555 2.138 20 0 GEADLO CCc1n[nH]c(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c1Br ZINC000370507676 532943866 /nfs/dbraw/zinc/94/38/66/532943866.db2.gz JFWWYYFAVYKLBJ-UHFFFAOYSA-N 1 2 375.230 2.245 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000371319200 532947552 /nfs/dbraw/zinc/94/75/52/532947552.db2.gz OTCKTVFPYZGWNF-LLVKDONJSA-N 1 2 375.372 2.497 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)CCCOC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000371703825 532949332 /nfs/dbraw/zinc/94/93/32/532949332.db2.gz PYTWHMRICJAJCR-HOCLYGCPSA-N 1 2 380.432 2.195 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)CCCOC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000371703825 532949333 /nfs/dbraw/zinc/94/93/33/532949333.db2.gz PYTWHMRICJAJCR-HOCLYGCPSA-N 1 2 380.432 2.195 20 0 GEADLO O=C(CSc1ccccc1Cl)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000371211985 532947435 /nfs/dbraw/zinc/94/74/35/532947435.db2.gz FUSMRFRYRCCFMO-SFHVURJKSA-N 1 2 384.929 2.430 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2cccc(OC(F)F)c2)C1 ZINC000275831207 570700797 /nfs/dbraw/zinc/70/07/97/570700797.db2.gz WWXDTHSVJTZYOR-ZDUSSCGKSA-N 1 2 377.395 2.007 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2cccc(OC(F)F)c2)C1 ZINC000275831207 570700801 /nfs/dbraw/zinc/70/08/01/570700801.db2.gz WWXDTHSVJTZYOR-ZDUSSCGKSA-N 1 2 377.395 2.007 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736205740 598933940 /nfs/dbraw/zinc/93/39/40/598933940.db2.gz YHIFDYPSEGTEDM-QWGSZXSUSA-N 1 2 389.463 2.180 20 0 GEADLO c1ccc2c(c1)nnc(-c1nn[nH]n1)c2Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000738410343 598964421 /nfs/dbraw/zinc/96/44/21/598964421.db2.gz KAMSRPCWTNRIOG-UHFFFAOYSA-N 1 2 388.435 2.386 20 0 GEADLO FC(F)(F)CC[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000737626797 598981689 /nfs/dbraw/zinc/98/16/89/598981689.db2.gz LGSQSLOVSRZWDJ-UHFFFAOYSA-N 1 2 383.334 2.189 20 0 GEADLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1cccc(-c2nn[nH]n2)c1 ZINC000737817520 599059918 /nfs/dbraw/zinc/05/99/18/599059918.db2.gz AZEUACFAIPIBPQ-IBGZPJMESA-N 1 2 393.447 2.201 20 0 GEADLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1cccc(-c2nn[nH]n2)c1 ZINC000737817520 599059921 /nfs/dbraw/zinc/05/99/21/599059921.db2.gz AZEUACFAIPIBPQ-IBGZPJMESA-N 1 2 393.447 2.201 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@@H]1c1ccccc1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737883058 599081758 /nfs/dbraw/zinc/08/17/58/599081758.db2.gz CKCBVNZGXVZXGO-GOSISDBHSA-N 1 2 394.504 2.273 20 0 GEADLO O=C(C[N@H+]1CCSC[C@@H]1c1ccccc1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737883058 599081760 /nfs/dbraw/zinc/08/17/60/599081760.db2.gz CKCBVNZGXVZXGO-GOSISDBHSA-N 1 2 394.504 2.273 20 0 GEADLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)(C)C ZINC000736016849 599106288 /nfs/dbraw/zinc/10/62/88/599106288.db2.gz DVCIYEMTRPLVPA-OAHLLOKOSA-N 1 2 385.516 2.376 20 0 GEADLO Cc1ccccc1[C@@H](O)CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737421356 599131597 /nfs/dbraw/zinc/13/15/97/599131597.db2.gz MMXFZCWFQLBBFY-FQEVSTJZSA-N 1 2 378.480 2.026 20 0 GEADLO Cc1ccc([C@H](C)C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000822227397 599135392 /nfs/dbraw/zinc/13/53/92/599135392.db2.gz HCSXCJDYHACCRT-HNNXBMFYSA-N 1 2 380.452 2.216 20 0 GEADLO Fc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000737647094 599140203 /nfs/dbraw/zinc/14/02/03/599140203.db2.gz BHERKBFFGIGRHM-UHFFFAOYSA-N 1 2 396.455 2.333 20 0 GEADLO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000735873481 599203996 /nfs/dbraw/zinc/20/39/96/599203996.db2.gz FHKQOGCJPHRBGF-FQEVSTJZSA-N 1 2 384.484 2.456 20 0 GEADLO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000735873481 599203999 /nfs/dbraw/zinc/20/39/99/599203999.db2.gz FHKQOGCJPHRBGF-FQEVSTJZSA-N 1 2 384.484 2.456 20 0 GEADLO C[C@H](NC(=O)COc1ccccc1-c1nn[nH]n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820327770 599206360 /nfs/dbraw/zinc/20/63/60/599206360.db2.gz JRPPJIWEMWEVDY-AWEZNQCLSA-N 1 2 389.419 2.309 20 0 GEADLO Cn1cc[nH+]c1C[C@H](NC(=O)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000822699373 599202842 /nfs/dbraw/zinc/20/28/42/599202842.db2.gz YNAQJEGQGCYBFH-SFHVURJKSA-N 1 2 387.447 2.243 20 0 GEADLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)c1 ZINC000737066362 599239675 /nfs/dbraw/zinc/23/96/75/599239675.db2.gz NIAJQTPNSKBUEG-UHFFFAOYSA-N 1 2 392.463 2.142 20 0 GEADLO Cc1cc([NH+]2CCCC2)ccc1NC[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000822207110 607308391 /nfs/dbraw/zinc/30/83/91/607308391.db2.gz KWECCILRXYBIKO-CQSZACIVSA-N 1 2 379.472 2.126 20 0 GEADLO c1nn2c(c1-c1nn[nH]n1)NC[C@@H](CNc1ccc([NH+]3CCCCC3)cc1)C2 ZINC000823756671 607308513 /nfs/dbraw/zinc/30/85/13/607308513.db2.gz DRASKOBXQHQOEI-CQSZACIVSA-N 1 2 379.472 2.207 20 0 GEADLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735538180 598252625 /nfs/dbraw/zinc/25/26/25/598252625.db2.gz XDUJEAFDEQYNAQ-MRXNPFEDSA-N 1 2 397.527 2.074 20 0 GEADLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736274330 598252994 /nfs/dbraw/zinc/25/29/94/598252994.db2.gz UKGGHOPFPGARBB-RYRKJORJSA-N 1 2 397.527 2.072 20 0 GEADLO CCN(C(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000736505588 598253406 /nfs/dbraw/zinc/25/34/06/598253406.db2.gz OMFWCCPKOCGNIG-UHFFFAOYSA-N 1 2 391.479 2.042 20 0 GEADLO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000738102853 598302552 /nfs/dbraw/zinc/30/25/52/598302552.db2.gz UJHQAXYITXEAMZ-UHFFFAOYSA-N 1 2 377.383 2.181 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737550558 598312127 /nfs/dbraw/zinc/31/21/27/598312127.db2.gz ANFRRLBXKXFPPE-MRXNPFEDSA-N 1 2 396.451 2.479 20 0 GEADLO Cc1oc(NC(=O)C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000737550558 598312129 /nfs/dbraw/zinc/31/21/29/598312129.db2.gz ANFRRLBXKXFPPE-MRXNPFEDSA-N 1 2 396.451 2.479 20 0 GEADLO O=C(NCCCCNc1cccc[nH+]1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000738054175 598328136 /nfs/dbraw/zinc/32/81/36/598328136.db2.gz MUFZQZODLKQIIS-UHFFFAOYSA-N 1 2 384.419 2.092 20 0 GEADLO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)C(=O)Nc1cccc(-c3nn[nH]n3)c1)C2 ZINC000735938988 598374601 /nfs/dbraw/zinc/37/46/01/598374601.db2.gz GPYKBGWVGJWZIX-ZDUSSCGKSA-N 1 2 394.483 2.109 20 0 GEADLO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000735662744 598396350 /nfs/dbraw/zinc/39/63/50/598396350.db2.gz WOJOASSKSXQHLA-UHFFFAOYSA-N 1 2 383.460 2.278 20 0 GEADLO O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000738267292 598397485 /nfs/dbraw/zinc/39/74/85/598397485.db2.gz LSIFBTYMMGWDAZ-UHFFFAOYSA-N 1 2 384.390 2.103 20 0 GEADLO C[C@@H](Sc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000736190592 598413876 /nfs/dbraw/zinc/41/38/76/598413876.db2.gz FVPYLEYIFUMTTD-CQSZACIVSA-N 1 2 395.492 2.091 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737843721 598461119 /nfs/dbraw/zinc/46/11/19/598461119.db2.gz MUUGYXNVZMEQEW-SFHVURJKSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737843721 598461120 /nfs/dbraw/zinc/46/11/20/598461120.db2.gz MUUGYXNVZMEQEW-SFHVURJKSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@@H](c2ccccc2F)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737843186 598461171 /nfs/dbraw/zinc/46/11/71/598461171.db2.gz IWNCRDBUEJVOJV-GOSISDBHSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(CC[N@H+]1CCO[C@@H](c2ccccc2F)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737843186 598461172 /nfs/dbraw/zinc/46/11/72/598461172.db2.gz IWNCRDBUEJVOJV-GOSISDBHSA-N 1 2 396.426 2.408 20 0 GEADLO CCOCC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736619588 598474683 /nfs/dbraw/zinc/47/46/83/598474683.db2.gz RBQMCUWEWIQPCF-UHFFFAOYSA-N 1 2 385.424 2.285 20 0 GEADLO CCOCC[N@@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736619588 598474685 /nfs/dbraw/zinc/47/46/85/598474685.db2.gz RBQMCUWEWIQPCF-UHFFFAOYSA-N 1 2 385.424 2.285 20 0 GEADLO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000737548761 598501622 /nfs/dbraw/zinc/50/16/22/598501622.db2.gz RCESHYCCAVBUIA-ZDUSSCGKSA-N 1 2 392.423 2.302 20 0 GEADLO C[C@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000737196409 598516666 /nfs/dbraw/zinc/51/66/66/598516666.db2.gz HNCRAABHWXHRSM-RZDIXWSQSA-N 1 2 383.500 2.273 20 0 GEADLO Cn1cnc2c1CCN(c1c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc31)C2 ZINC000737618727 598545445 /nfs/dbraw/zinc/54/54/45/598545445.db2.gz KYCMVRNBONUOJZ-UHFFFAOYSA-N 1 2 398.377 2.313 20 0 GEADLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737150399 598556151 /nfs/dbraw/zinc/55/61/51/598556151.db2.gz QOJBMNUATQGZEX-UHFFFAOYSA-N 1 2 393.451 2.225 20 0 GEADLO c1csc([C@@H](CNc2nc3ccccn3c2-c2nn[nH]n2)[NH+]2CCOCC2)c1 ZINC000738453315 598567544 /nfs/dbraw/zinc/56/75/44/598567544.db2.gz XATMUQRNWSHJQM-CYBMUJFWSA-N 1 2 396.480 2.061 20 0 GEADLO c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCN(c2ncnc3c2CCC3)CC1 ZINC000738436877 598602681 /nfs/dbraw/zinc/60/26/81/598602681.db2.gz KOWMDKDCKIKVLV-UHFFFAOYSA-N 1 2 399.462 2.020 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)c1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000738094205 598625128 /nfs/dbraw/zinc/62/51/28/598625128.db2.gz DEHNTVOWJQJMCE-UHFFFAOYSA-N 1 2 389.419 2.141 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000735734518 598669947 /nfs/dbraw/zinc/66/99/47/598669947.db2.gz MQTJEJGGMGXZRW-CRAIPNDOSA-N 1 2 395.467 2.330 20 0 GEADLO Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cn1 ZINC000737606945 598685587 /nfs/dbraw/zinc/68/55/87/598685587.db2.gz UJFGDSBXEJNAJU-HNNXBMFYSA-N 1 2 386.847 2.029 20 0 GEADLO Cn1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cn1 ZINC000737606945 598685588 /nfs/dbraw/zinc/68/55/88/598685588.db2.gz UJFGDSBXEJNAJU-HNNXBMFYSA-N 1 2 386.847 2.029 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000738074379 598717755 /nfs/dbraw/zinc/71/77/55/598717755.db2.gz DNTKKHFGPWVTDF-UHFFFAOYSA-N 1 2 390.407 2.071 20 0 GEADLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000737003557 598728414 /nfs/dbraw/zinc/72/84/14/598728414.db2.gz YBDCVGJAHPIWIO-UHFFFAOYSA-N 1 2 385.399 2.383 20 0 GEADLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000737003557 598728415 /nfs/dbraw/zinc/72/84/15/598728415.db2.gz YBDCVGJAHPIWIO-UHFFFAOYSA-N 1 2 385.399 2.383 20 0 GEADLO Cc1nc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)no1 ZINC000737473593 598759534 /nfs/dbraw/zinc/75/95/34/598759534.db2.gz DQBAZTAHZSXFPZ-HNNXBMFYSA-N 1 2 382.428 2.114 20 0 GEADLO Cc1nc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)no1 ZINC000737473593 598759535 /nfs/dbraw/zinc/75/95/35/598759535.db2.gz DQBAZTAHZSXFPZ-HNNXBMFYSA-N 1 2 382.428 2.114 20 0 GEADLO CSc1nc(C2CC2)cc(C(=O)NCCCCn2cc[nH+]c2)c1-c1nn[nH]n1 ZINC000737188636 598812300 /nfs/dbraw/zinc/81/23/00/598812300.db2.gz CVNBQQLELZITPW-UHFFFAOYSA-N 1 2 398.496 2.268 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820446360 599374057 /nfs/dbraw/zinc/37/40/57/599374057.db2.gz VEYDDRLYPXJMAB-ZDUSSCGKSA-N 1 2 395.448 2.092 20 0 GEADLO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821873875 599383105 /nfs/dbraw/zinc/38/31/05/599383105.db2.gz ZOSCXKULCULGBI-MLGOLLRUSA-N 1 2 396.426 2.471 20 0 GEADLO C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820356890 599419208 /nfs/dbraw/zinc/41/92/08/599419208.db2.gz BZEDQJCKCXOVPW-CQSZACIVSA-N 1 2 392.467 2.291 20 0 GEADLO CCC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)C(=O)N1CCc2sccc2C1 ZINC000821020388 599424441 /nfs/dbraw/zinc/42/44/41/599424441.db2.gz BXPGXOCSEWRIDP-CQSZACIVSA-N 1 2 386.481 2.364 20 0 GEADLO Cc1cccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)n1 ZINC000737392908 599445450 /nfs/dbraw/zinc/44/54/50/599445450.db2.gz AAPNDHKCQGMBMG-UHFFFAOYSA-N 1 2 392.423 2.140 20 0 GEADLO Cc1cccc2c(N[C@@H](C)C(=O)NCc3ccccc3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822335746 599490974 /nfs/dbraw/zinc/49/09/74/599490974.db2.gz LJFCDZOZBHEHKS-AWEZNQCLSA-N 1 2 387.447 2.262 20 0 GEADLO CC(C)C(=O)NC[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000820012186 599515528 /nfs/dbraw/zinc/51/55/28/599515528.db2.gz WBUCDMBQPLBZCR-CQSZACIVSA-N 1 2 379.468 2.404 20 0 GEADLO Cc1cccc2c(NCC(=O)N3CCc4ccccc4C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822334239 599518770 /nfs/dbraw/zinc/51/87/70/599518770.db2.gz AJGLPEZSJPUQGC-UHFFFAOYSA-N 1 2 399.458 2.142 20 0 GEADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736306692 599591568 /nfs/dbraw/zinc/59/15/68/599591568.db2.gz ZAPAKSWSRCIJCM-CYBMUJFWSA-N 1 2 380.427 2.241 20 0 GEADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736306692 599591571 /nfs/dbraw/zinc/59/15/71/599591571.db2.gz ZAPAKSWSRCIJCM-CYBMUJFWSA-N 1 2 380.427 2.241 20 0 GEADLO O=C1[C@@H]([N@@H+]2CCOC3(CCCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504044 599642032 /nfs/dbraw/zinc/64/20/32/599642032.db2.gz LGWXNCYTEKPBBI-KRWDZBQOSA-N 1 2 382.468 2.007 20 0 GEADLO O=C1[C@@H]([N@H+]2CCOC3(CCCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504044 599642033 /nfs/dbraw/zinc/64/20/33/599642033.db2.gz LGWXNCYTEKPBBI-KRWDZBQOSA-N 1 2 382.468 2.007 20 0 GEADLO O=C(Cn1cc[nH+]c1)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823122623 599700045 /nfs/dbraw/zinc/70/00/45/599700045.db2.gz FQVHYHKIAZPTFD-UHFFFAOYSA-N 1 2 375.392 2.281 20 0 GEADLO CC(C)Oc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1-c1nn[nH]n1 ZINC000820169114 607432571 /nfs/dbraw/zinc/43/25/71/607432571.db2.gz FWNGRNLHRWEQKC-UHFFFAOYSA-N 1 2 384.444 2.452 20 0 GEADLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)[C@@H](CO)c1ccccc1 ZINC000821593628 607449386 /nfs/dbraw/zinc/44/93/86/607449386.db2.gz CKKDPGBTOLPJPW-INIZCTEOSA-N 1 2 386.843 2.124 20 0 GEADLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)[C@@H](CO)c1ccccc1 ZINC000821593628 607449387 /nfs/dbraw/zinc/44/93/87/607449387.db2.gz CKKDPGBTOLPJPW-INIZCTEOSA-N 1 2 386.843 2.124 20 0 GEADLO C[C@@H](Sc1ccccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000736711368 600592828 /nfs/dbraw/zinc/59/28/28/600592828.db2.gz AUQXTDWOKHHRIH-OAHLLOKOSA-N 1 2 393.553 2.350 20 0 GEADLO C[C@@H](Sc1ccccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000736711368 600592829 /nfs/dbraw/zinc/59/28/29/600592829.db2.gz AUQXTDWOKHHRIH-OAHLLOKOSA-N 1 2 393.553 2.350 20 0 GEADLO CC[NH+]1CCC([N@H+](C)CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CC1 ZINC000737112201 600711984 /nfs/dbraw/zinc/71/19/84/600711984.db2.gz IZEDQIPGDCGPJZ-IBGZPJMESA-N 1 2 386.496 2.138 20 0 GEADLO CC[NH+]1CCC([N@@H+](C)CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CC1 ZINC000737112201 600711987 /nfs/dbraw/zinc/71/19/87/600711987.db2.gz IZEDQIPGDCGPJZ-IBGZPJMESA-N 1 2 386.496 2.138 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000826183881 607469725 /nfs/dbraw/zinc/46/97/25/607469725.db2.gz DHAJSJRLVTZZBN-SFHVURJKSA-N 1 2 386.843 2.019 20 0 GEADLO C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000827356773 601291361 /nfs/dbraw/zinc/29/13/61/601291361.db2.gz TXOXYWJAYJAUAQ-APWZRJJASA-N 1 2 391.487 2.188 20 0 GEADLO C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000827356773 601291363 /nfs/dbraw/zinc/29/13/63/601291363.db2.gz TXOXYWJAYJAUAQ-APWZRJJASA-N 1 2 391.487 2.188 20 0 GEADLO O=C([O-])[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000262254565 601578692 /nfs/dbraw/zinc/57/86/92/601578692.db2.gz DZQQGMDXMYZFNZ-QGZVFWFLSA-N 1 2 377.510 2.113 20 0 GEADLO O=C([O-])[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000262254565 601578693 /nfs/dbraw/zinc/57/86/93/601578693.db2.gz DZQQGMDXMYZFNZ-QGZVFWFLSA-N 1 2 377.510 2.113 20 0 GEADLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2ccnc(-c3nn[nH]n3)c2)cc1 ZINC000825348088 607516784 /nfs/dbraw/zinc/51/67/84/607516784.db2.gz BXWFWCMVHVEFOV-CQSZACIVSA-N 1 2 379.468 2.263 20 0 GEADLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2ccnc(-c3nn[nH]n3)c2)cc1 ZINC000825348088 607516785 /nfs/dbraw/zinc/51/67/85/607516785.db2.gz BXWFWCMVHVEFOV-CQSZACIVSA-N 1 2 379.468 2.263 20 0 GEADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(-c3nn[nH]n3)nc2)c(C)c1 ZINC000826283882 607543194 /nfs/dbraw/zinc/54/31/94/607543194.db2.gz DJYNTGNUHTWNJV-GOSISDBHSA-N 1 2 388.435 2.246 20 0 GEADLO CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000824255466 607570718 /nfs/dbraw/zinc/57/07/18/607570718.db2.gz KVGIOZIZZNRTFI-KRWDZBQOSA-N 1 2 379.468 2.310 20 0 GEADLO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C12CCC2 ZINC000825582349 607640610 /nfs/dbraw/zinc/64/06/10/607640610.db2.gz JSOGHPDSGWMZPC-KGLIPLIRSA-N 1 2 388.472 2.295 20 0 GEADLO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C12CCC2 ZINC000825582349 607640611 /nfs/dbraw/zinc/64/06/11/607640611.db2.gz JSOGHPDSGWMZPC-KGLIPLIRSA-N 1 2 388.472 2.295 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000826183577 607641288 /nfs/dbraw/zinc/64/12/88/607641288.db2.gz UCKSCOHWTNLIDW-MOPGFXCFSA-N 1 2 395.463 2.200 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000826183577 607641290 /nfs/dbraw/zinc/64/12/90/607641290.db2.gz UCKSCOHWTNLIDW-MOPGFXCFSA-N 1 2 395.463 2.200 20 0 GEADLO O=C([O-])N1CCc2cccc(C[NH2+]C[C@H](O)C[N@@H+]3CCc4ccccc4C3)c21 ZINC000832086190 603850859 /nfs/dbraw/zinc/85/08/59/603850859.db2.gz BUVMUGMDYXRPHT-FQEVSTJZSA-N 1 2 381.476 2.236 20 0 GEADLO O=C([O-])N1CCc2cccc(C[NH2+]C[C@H](O)C[N@H+]3CCc4ccccc4C3)c21 ZINC000832086190 603850862 /nfs/dbraw/zinc/85/08/62/603850862.db2.gz BUVMUGMDYXRPHT-FQEVSTJZSA-N 1 2 381.476 2.236 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000828466537 603938650 /nfs/dbraw/zinc/93/86/50/603938650.db2.gz PGONRSGNKZTKHL-ROUUACIJSA-N 1 2 382.549 2.077 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000828466537 603938652 /nfs/dbraw/zinc/93/86/52/603938652.db2.gz PGONRSGNKZTKHL-ROUUACIJSA-N 1 2 382.549 2.077 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000444349636 649946911 /nfs/dbraw/zinc/94/69/11/649946911.db2.gz FHRUZXILVWNZLF-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000444341245 649946948 /nfs/dbraw/zinc/94/69/48/649946948.db2.gz KRQKDFQLJOBOKG-TZMCWYRMSA-N 1 2 377.794 2.112 20 0 GEADLO CC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000444341245 649946951 /nfs/dbraw/zinc/94/69/51/649946951.db2.gz KRQKDFQLJOBOKG-TZMCWYRMSA-N 1 2 377.794 2.112 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)CSCc2ccc(Br)cc2)CC1 ZINC000444387986 649948109 /nfs/dbraw/zinc/94/81/09/649948109.db2.gz YNZLEXHJBLQUPE-CYBMUJFWSA-N 1 2 387.343 2.207 20 0 GEADLO CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000833417275 604940726 /nfs/dbraw/zinc/94/07/26/604940726.db2.gz OIBHTWJQGVVNHA-LJQANCHMSA-N 1 2 387.524 2.154 20 0 GEADLO CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000833417275 604940728 /nfs/dbraw/zinc/94/07/28/604940728.db2.gz OIBHTWJQGVVNHA-LJQANCHMSA-N 1 2 387.524 2.154 20 0 GEADLO O=C([O-])N1CC[C@@]2(C1)C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1O2 ZINC000834081756 605632489 /nfs/dbraw/zinc/63/24/89/605632489.db2.gz BWBYBKMEHQSKAF-NQIIRXRSSA-N 1 2 389.496 2.069 20 0 GEADLO O=C(Nc1nc(-c2cccc(-c3nn[nH]n3)c2)cs1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000826459337 607770799 /nfs/dbraw/zinc/77/07/99/607770799.db2.gz GDHNAAOECJFSSJ-CYBMUJFWSA-N 1 2 392.448 2.388 20 0 GEADLO CCN1CC[NH+](Cc2ccc(CNc3ccc(-c4nn[nH]n4)nc3)cc2)CC1 ZINC000821277778 606045625 /nfs/dbraw/zinc/04/56/25/606045625.db2.gz YIDBOZQOOYQWLJ-UHFFFAOYSA-N 1 2 378.484 2.011 20 0 GEADLO C[N@H+](Cc1ccc(Cl)nc1)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821611069 606071104 /nfs/dbraw/zinc/07/11/04/606071104.db2.gz PLSGDVMJXCJSGP-HNNXBMFYSA-N 1 2 383.843 2.152 20 0 GEADLO C[N@@H+](Cc1ccc(Cl)nc1)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821611069 606071110 /nfs/dbraw/zinc/07/11/10/606071110.db2.gz PLSGDVMJXCJSGP-HNNXBMFYSA-N 1 2 383.843 2.152 20 0 GEADLO Cc1cccn2cc(CCNC(=O)CSc3ccc(-c4nn[nH]n4)cc3)[nH+]c12 ZINC000822366667 606106349 /nfs/dbraw/zinc/10/63/49/606106349.db2.gz RSAYINCKVLGFQJ-UHFFFAOYSA-N 1 2 393.476 2.274 20 0 GEADLO Cc1sc(NC(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)c(-c2nn[nH]n2)c1C ZINC000822559162 606110491 /nfs/dbraw/zinc/11/04/91/606110491.db2.gz WNCLQFMKKGAHFA-UHFFFAOYSA-N 1 2 386.485 2.086 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000822009696 606135696 /nfs/dbraw/zinc/13/56/96/606135696.db2.gz BTHKEYKOYJAVNP-UHFFFAOYSA-N 1 2 379.380 2.000 20 0 GEADLO C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821622116 606186060 /nfs/dbraw/zinc/18/60/60/606186060.db2.gz SHULCGDNKGWJAX-UHFFFAOYSA-N 1 2 397.571 2.495 20 0 GEADLO Cc1nnc([C@H]2CN(c3c(-c4nn[nH]n4)c[nH+]c4c(C)cc(C)cc43)CCO2)[nH]1 ZINC000822195202 606198529 /nfs/dbraw/zinc/19/85/29/606198529.db2.gz JYPFASGPPWJEND-OAHLLOKOSA-N 1 2 391.439 2.036 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc(-c3nn[nH]n3)cn2C)C[C@H](C)O1 ZINC000820758832 606231151 /nfs/dbraw/zinc/23/11/51/606231151.db2.gz DOEAZQPMBGHXCY-OKILXGFUSA-N 1 2 395.467 2.067 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc(-c3nn[nH]n3)cn2C)C[C@H](C)O1 ZINC000820758832 606231153 /nfs/dbraw/zinc/23/11/53/606231153.db2.gz DOEAZQPMBGHXCY-OKILXGFUSA-N 1 2 395.467 2.067 20 0 GEADLO O=C([C@H]1C[C@@H]1C1CC1)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822916767 606239691 /nfs/dbraw/zinc/23/96/91/606239691.db2.gz CTRDURIQWARWAV-CVEARBPZSA-N 1 2 389.463 2.110 20 0 GEADLO CCc1nc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cs1 ZINC000821504187 606306526 /nfs/dbraw/zinc/30/65/26/606306526.db2.gz CWOIVBOLSGFWGJ-GXSJLCMTSA-N 1 2 389.510 2.403 20 0 GEADLO CCc1nc([C@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cs1 ZINC000821504192 606306574 /nfs/dbraw/zinc/30/65/74/606306574.db2.gz CWOIVBOLSGFWGJ-ONGXEEELSA-N 1 2 389.510 2.403 20 0 GEADLO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821000836 606331466 /nfs/dbraw/zinc/33/14/66/606331466.db2.gz KBACLDPHOJFUPP-CVEARBPZSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821000836 606331468 /nfs/dbraw/zinc/33/14/68/606331468.db2.gz KBACLDPHOJFUPP-CVEARBPZSA-N 1 2 383.500 2.144 20 0 GEADLO C[NH+]1CCN(C[C@H](Nc2ccc(Cl)c(-c3nn[nH]n3)n2)c2ccccc2)CC1 ZINC000821627371 606464448 /nfs/dbraw/zinc/46/44/48/606464448.db2.gz YRVCWSMAWIBECR-INIZCTEOSA-N 1 2 398.902 2.316 20 0 GEADLO CN1CC[NH+](C[C@H](Nc2ccc(Cl)c(-c3nn[nH]n3)n2)c2ccccc2)CC1 ZINC000821627371 606464450 /nfs/dbraw/zinc/46/44/50/606464450.db2.gz YRVCWSMAWIBECR-INIZCTEOSA-N 1 2 398.902 2.316 20 0 GEADLO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000822731391 606489398 /nfs/dbraw/zinc/48/93/98/606489398.db2.gz CQPWHKBBCAFXMC-ZDUSSCGKSA-N 1 2 381.383 2.196 20 0 GEADLO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000822731391 606489400 /nfs/dbraw/zinc/48/94/00/606489400.db2.gz CQPWHKBBCAFXMC-ZDUSSCGKSA-N 1 2 381.383 2.196 20 0 GEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000822237341 606568612 /nfs/dbraw/zinc/56/86/12/606568612.db2.gz POUITSQGHCSMRX-UHFFFAOYSA-N 1 2 392.463 2.189 20 0 GEADLO O=C(COc1ccc(-c2nn[nH]n2)cc1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000823037192 606644017 /nfs/dbraw/zinc/64/40/17/606644017.db2.gz SXPNOIZMPZGLLT-UHFFFAOYSA-N 1 2 376.376 2.175 20 0 GEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823249978 606674945 /nfs/dbraw/zinc/67/49/45/606674945.db2.gz NOWIDQAIOIZOLO-UHFFFAOYSA-N 1 2 381.346 2.261 20 0 GEADLO CSCc1cc(F)ccc1C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821970684 606712418 /nfs/dbraw/zinc/71/24/18/606712418.db2.gz QPSZJXNWSJZFGT-MRXNPFEDSA-N 1 2 386.456 2.185 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@@H](c2cccs2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822969706 606755713 /nfs/dbraw/zinc/75/57/13/606755713.db2.gz YBYHLEPCYUTINU-GFCCVEGCSA-N 1 2 390.494 2.392 20 0 GEADLO O=C(CC[N@H+]1CCO[C@@H](c2cccs2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822969706 606755714 /nfs/dbraw/zinc/75/57/14/606755714.db2.gz YBYHLEPCYUTINU-GFCCVEGCSA-N 1 2 390.494 2.392 20 0 GEADLO CC(C)Oc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000820155477 606781590 /nfs/dbraw/zinc/78/15/90/606781590.db2.gz QMSZNARWBPIWJA-OAHLLOKOSA-N 1 2 394.483 2.155 20 0 GEADLO CC(C)Oc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000820155477 606781594 /nfs/dbraw/zinc/78/15/94/606781594.db2.gz QMSZNARWBPIWJA-OAHLLOKOSA-N 1 2 394.483 2.155 20 0 GEADLO Cc1nc(N2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)c(C)c(C)[nH+]1 ZINC000822427344 606788526 /nfs/dbraw/zinc/78/85/26/606788526.db2.gz KFPCZAGUJKWRLU-UHFFFAOYSA-N 1 2 392.467 2.437 20 0 GEADLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000823713002 606789259 /nfs/dbraw/zinc/78/92/59/606789259.db2.gz BHXZNVGJFIWCDY-KRWDZBQOSA-N 1 2 389.419 2.008 20 0 GEADLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000823713002 606789260 /nfs/dbraw/zinc/78/92/60/606789260.db2.gz BHXZNVGJFIWCDY-KRWDZBQOSA-N 1 2 389.419 2.008 20 0 GEADLO COc1ccc(CC(N)=[NH+]OCCCOc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821790494 606837321 /nfs/dbraw/zinc/83/73/21/606837321.db2.gz PAGXHLNUQAORNO-UHFFFAOYSA-N 1 2 382.424 2.385 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820570377 606901948 /nfs/dbraw/zinc/90/19/48/606901948.db2.gz IPZPCGYDRKSBGO-KRWDZBQOSA-N 1 2 393.495 2.409 20 0 GEADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821652087 606927305 /nfs/dbraw/zinc/92/73/05/606927305.db2.gz MCOZGAVQQBXKHC-GOSISDBHSA-N 1 2 381.436 2.482 20 0 GEADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821652087 606927306 /nfs/dbraw/zinc/92/73/06/606927306.db2.gz MCOZGAVQQBXKHC-GOSISDBHSA-N 1 2 381.436 2.482 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](Oc2ccccn2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822992114 606932330 /nfs/dbraw/zinc/93/23/30/606932330.db2.gz IRHYDYLHTDLZGI-CYBMUJFWSA-N 1 2 399.842 2.007 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](Oc2ccccn2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822992114 606932332 /nfs/dbraw/zinc/93/23/32/606932332.db2.gz IRHYDYLHTDLZGI-CYBMUJFWSA-N 1 2 399.842 2.007 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c(-c2nn[nH]n2)c1C ZINC000822557025 606934002 /nfs/dbraw/zinc/93/40/02/606934002.db2.gz FKIQQPHEGCYJLA-ZDUSSCGKSA-N 1 2 399.480 2.032 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](Oc3ccccn3)C2)c(-c2nn[nH]n2)c1C ZINC000822557025 606934003 /nfs/dbraw/zinc/93/40/03/606934003.db2.gz FKIQQPHEGCYJLA-ZDUSSCGKSA-N 1 2 399.480 2.032 20 0 GEADLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821593717 606968354 /nfs/dbraw/zinc/96/83/54/606968354.db2.gz GVOHLAJHKWOKDP-UHFFFAOYSA-N 1 2 376.342 2.355 20 0 GEADLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821593717 606968355 /nfs/dbraw/zinc/96/83/55/606968355.db2.gz GVOHLAJHKWOKDP-UHFFFAOYSA-N 1 2 376.342 2.355 20 0 GEADLO CC1(C)CN=C(N2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)S1 ZINC000820606958 606973939 /nfs/dbraw/zinc/97/39/39/606973939.db2.gz HBDHNBQIOBPTIB-UHFFFAOYSA-N 1 2 375.477 2.005 20 0 GEADLO CC1(C)CN=C(N2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)S1 ZINC000820607748 607067284 /nfs/dbraw/zinc/06/72/84/607067284.db2.gz YXVZKAAYIXAAOB-UHFFFAOYSA-N 1 2 375.477 2.005 20 0 GEADLO COc1cccc([C@@H]2C[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000821864164 607076965 /nfs/dbraw/zinc/07/69/65/607076965.db2.gz UKQLGHDUWAUVNT-IBGZPJMESA-N 1 2 381.436 2.328 20 0 GEADLO COc1cccc([C@@H]2C[N@@H+](CCOc3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000821864164 607076966 /nfs/dbraw/zinc/07/69/66/607076966.db2.gz UKQLGHDUWAUVNT-IBGZPJMESA-N 1 2 381.436 2.328 20 0 GEADLO CCCCc1nnc(NC(=O)C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000821082527 607101005 /nfs/dbraw/zinc/10/10/05/607101005.db2.gz MKRXBQCZUIYQME-UHFFFAOYSA-N 1 2 386.485 2.131 20 0 GEADLO CCCCc1nnc(NC(=O)C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000821082527 607101008 /nfs/dbraw/zinc/10/10/08/607101008.db2.gz MKRXBQCZUIYQME-UHFFFAOYSA-N 1 2 386.485 2.131 20 0 GEADLO CCCCc1nnc(NC(=O)C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)s1 ZINC000821083340 607101221 /nfs/dbraw/zinc/10/12/21/607101221.db2.gz YEOYWHOEVWXEJH-UHFFFAOYSA-N 1 2 386.485 2.131 20 0 GEADLO CCCCc1nnc(NC(=O)C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)s1 ZINC000821083340 607101223 /nfs/dbraw/zinc/10/12/23/607101223.db2.gz YEOYWHOEVWXEJH-UHFFFAOYSA-N 1 2 386.485 2.131 20 0 GEADLO CSc1nc(C2CC2)cc(C(=O)N(C)CCCn2cc[nH+]c2)c1-c1nn[nH]n1 ZINC000821987891 607224877 /nfs/dbraw/zinc/22/48/77/607224877.db2.gz AAYMQAXCJAXEJS-UHFFFAOYSA-N 1 2 398.496 2.220 20 0 GEADLO c1ccc(N2CCCN(c3cc(NCC4CC4)[nH+]cn3)CC2)c(-c2nn[nH]n2)c1 ZINC000826521856 607965260 /nfs/dbraw/zinc/96/52/60/607965260.db2.gz BEQSOYSLCBGIRO-UHFFFAOYSA-N 1 2 391.483 2.195 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000826029163 608041303 /nfs/dbraw/zinc/04/13/03/608041303.db2.gz PUTRXSNCXVACAE-GDBMZVCRSA-N 1 2 383.843 2.090 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000826029163 608041304 /nfs/dbraw/zinc/04/13/04/608041304.db2.gz PUTRXSNCXVACAE-GDBMZVCRSA-N 1 2 383.843 2.090 20 0 GEADLO O[C@@H](C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)c(F)c1 ZINC000826503460 608066720 /nfs/dbraw/zinc/06/67/20/608066720.db2.gz YAYJUJBBRPKDCU-ROUUACIJSA-N 1 2 387.390 2.252 20 0 GEADLO O[C@@H](C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)c(F)c1 ZINC000826503460 608066721 /nfs/dbraw/zinc/06/67/21/608066721.db2.gz YAYJUJBBRPKDCU-ROUUACIJSA-N 1 2 387.390 2.252 20 0 GEADLO c1cn(-c2ccc(C[N@@H+]3CCO[C@H](c4cccc(-c5nn[nH]n5)c4)C3)cn2)cn1 ZINC000826513368 608069133 /nfs/dbraw/zinc/06/91/33/608069133.db2.gz JTXRYCFTPITIHR-SFHVURJKSA-N 1 2 388.435 2.021 20 0 GEADLO c1cn(-c2ccc(C[N@H+]3CCO[C@H](c4cccc(-c5nn[nH]n5)c4)C3)cn2)cn1 ZINC000826513368 608069134 /nfs/dbraw/zinc/06/91/34/608069134.db2.gz JTXRYCFTPITIHR-SFHVURJKSA-N 1 2 388.435 2.021 20 0 GEADLO O[C@H](C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)cc1F ZINC000826503065 608069384 /nfs/dbraw/zinc/06/93/84/608069384.db2.gz PXGGYPUBCTUDTO-QZTJIDSGSA-N 1 2 387.390 2.252 20 0 GEADLO O[C@H](C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)cc1F ZINC000826503065 608069385 /nfs/dbraw/zinc/06/93/85/608069385.db2.gz PXGGYPUBCTUDTO-QZTJIDSGSA-N 1 2 387.390 2.252 20 0 GEADLO C[C@H](Cn1ncc2ccccc2c1=O)Nc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000824464077 608124110 /nfs/dbraw/zinc/12/41/10/608124110.db2.gz DFMQOJKJFAXBFP-CYBMUJFWSA-N 1 2 398.430 2.047 20 0 GEADLO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C(=O)OC)c1ccc(-c2nn[nH]n2)cc1 ZINC000825398887 608157502 /nfs/dbraw/zinc/15/75/02/608157502.db2.gz AFQNPWXKMKUFAN-RTBURBONSA-N 1 2 395.463 2.445 20 0 GEADLO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C(=O)OC)c1ccc(-c2nn[nH]n2)cc1 ZINC000825398887 608157503 /nfs/dbraw/zinc/15/75/03/608157503.db2.gz AFQNPWXKMKUFAN-RTBURBONSA-N 1 2 395.463 2.445 20 0 GEADLO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000824763620 608170039 /nfs/dbraw/zinc/17/00/39/608170039.db2.gz OCTHKEXNBKBVOM-AWEZNQCLSA-N 1 2 398.492 2.210 20 0 GEADLO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000824763620 608170040 /nfs/dbraw/zinc/17/00/40/608170040.db2.gz OCTHKEXNBKBVOM-AWEZNQCLSA-N 1 2 398.492 2.210 20 0 GEADLO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000825317825 608211816 /nfs/dbraw/zinc/21/18/16/608211816.db2.gz CXWXWKLGPPDNOF-UHFFFAOYSA-N 1 2 388.435 2.500 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ccc(-c3nn[nH]n3)cn2)c2ccc(Cl)cc2)C1 ZINC000826044611 608235355 /nfs/dbraw/zinc/23/53/55/608235355.db2.gz IGBPZXGPAILDTM-RDJZCZTQSA-N 1 2 385.859 2.399 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](Nc2ccc(-c3nn[nH]n3)cn2)c2ccc(Cl)cc2)C1 ZINC000826044611 608235356 /nfs/dbraw/zinc/23/53/56/608235356.db2.gz IGBPZXGPAILDTM-RDJZCZTQSA-N 1 2 385.859 2.399 20 0 GEADLO O=C(OCCn1cc[nH+]c1)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1 ZINC000826464475 608254428 /nfs/dbraw/zinc/25/44/28/608254428.db2.gz XSWGPYLVVUKECY-UHFFFAOYSA-N 1 2 390.403 2.499 20 0 GEADLO FC(F)Oc1ccc([C@@H]2C[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)CCO2)cc1 ZINC000826369620 608259028 /nfs/dbraw/zinc/25/90/28/608259028.db2.gz KMHLCQFAJQMMOR-INIZCTEOSA-N 1 2 388.378 2.437 20 0 GEADLO FC(F)Oc1ccc([C@@H]2C[N@@H+](Cc3ccnc(-c4nn[nH]n4)c3)CCO2)cc1 ZINC000826369620 608259029 /nfs/dbraw/zinc/25/90/29/608259029.db2.gz KMHLCQFAJQMMOR-INIZCTEOSA-N 1 2 388.378 2.437 20 0 GEADLO c1nc(C[N@@H+]2CCCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)CC2)cs1 ZINC000826526898 608282381 /nfs/dbraw/zinc/28/23/81/608282381.db2.gz QZZWITDRTNMLFO-UHFFFAOYSA-N 1 2 396.524 2.309 20 0 GEADLO c1nc(C[N@H+]2CCCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)CC2)cs1 ZINC000826526898 608282382 /nfs/dbraw/zinc/28/23/82/608282382.db2.gz QZZWITDRTNMLFO-UHFFFAOYSA-N 1 2 396.524 2.309 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)c(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000826273677 608284966 /nfs/dbraw/zinc/28/49/66/608284966.db2.gz PBPDISRSQHTHTF-OAHLLOKOSA-N 1 2 385.497 2.141 20 0 GEADLO CCn1cnnc1C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000825804528 608292835 /nfs/dbraw/zinc/29/28/35/608292835.db2.gz CSQZMLTVEFPBCC-UHFFFAOYSA-N 1 2 375.440 2.410 20 0 GEADLO COc1cccc([C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC)CCO2)c1 ZINC000826215194 608370929 /nfs/dbraw/zinc/37/09/29/608370929.db2.gz IZYQEMKMEPGMGA-IBGZPJMESA-N 1 2 381.436 2.457 20 0 GEADLO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC)CCO2)c1 ZINC000826215194 608370931 /nfs/dbraw/zinc/37/09/31/608370931.db2.gz IZYQEMKMEPGMGA-IBGZPJMESA-N 1 2 381.436 2.457 20 0 GEADLO CCCn1nc(C)c(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000825363189 608502261 /nfs/dbraw/zinc/50/22/61/608502261.db2.gz VKSMCEHIUQFMGR-UHFFFAOYSA-N 1 2 394.527 2.408 20 0 GEADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000826216681 608538191 /nfs/dbraw/zinc/53/81/91/608538191.db2.gz JRCIFGRRZPCEQM-VIFPVBQESA-N 1 2 376.417 2.365 20 0 GEADLO Cc1ccc([C@@H](CNc2nc(-c3nn[nH]n3)ccc2C)[NH+]2CCOCC2)s1 ZINC000826284375 608545030 /nfs/dbraw/zinc/54/50/30/608545030.db2.gz RVDSIKSAXKDNTP-OAHLLOKOSA-N 1 2 385.497 2.425 20 0 GEADLO Cc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)o1 ZINC000826287914 608548252 /nfs/dbraw/zinc/54/82/52/608548252.db2.gz JESLLQKUXMUQBW-UHFFFAOYSA-N 1 2 381.396 2.338 20 0 GEADLO COC[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC000826150304 608552077 /nfs/dbraw/zinc/55/20/77/608552077.db2.gz AUMYOIIKUXXZOP-CYBMUJFWSA-N 1 2 394.407 2.122 20 0 GEADLO C[C@@H]1CCOCC[N@@H+]1CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000824966638 608563524 /nfs/dbraw/zinc/56/35/24/608563524.db2.gz CXJMMNZEUDDCTO-GFCCVEGCSA-N 1 2 390.513 2.246 20 0 GEADLO C[C@@H]1CCOCC[N@H+]1CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000824966638 608563526 /nfs/dbraw/zinc/56/35/26/608563526.db2.gz CXJMMNZEUDDCTO-GFCCVEGCSA-N 1 2 390.513 2.246 20 0 GEADLO c1nc(C2CC2)sc1C[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826526720 608591208 /nfs/dbraw/zinc/59/12/08/608591208.db2.gz KDEMEXMCBPSGIK-UHFFFAOYSA-N 1 2 398.496 2.388 20 0 GEADLO COc1cc(F)ccc1N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826180817 608651763 /nfs/dbraw/zinc/65/17/63/608651763.db2.gz YDKYQVLIIKFBHC-UHFFFAOYSA-N 1 2 386.406 2.476 20 0 GEADLO Cc1nc2sccn2c1C[N@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826329952 608675369 /nfs/dbraw/zinc/67/53/69/608675369.db2.gz ZFLQIJUOWVQHAY-UHFFFAOYSA-N 1 2 379.453 2.164 20 0 GEADLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826329952 608675370 /nfs/dbraw/zinc/67/53/70/608675370.db2.gz ZFLQIJUOWVQHAY-UHFFFAOYSA-N 1 2 379.453 2.164 20 0 GEADLO C[C@]1(c2ccccc2)C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CCO1 ZINC000824843656 608696644 /nfs/dbraw/zinc/69/66/44/608696644.db2.gz IZEHBLBHVORMNU-HXUWFJFHSA-N 1 2 375.436 2.262 20 0 GEADLO C[C@]1(c2ccccc2)C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CCO1 ZINC000824843656 608696645 /nfs/dbraw/zinc/69/66/45/608696645.db2.gz IZEHBLBHVORMNU-HXUWFJFHSA-N 1 2 375.436 2.262 20 0 GEADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824764484 608750848 /nfs/dbraw/zinc/75/08/48/608750848.db2.gz WPDPYPJJPMWENZ-CFJPQMKISA-N 1 2 395.492 2.445 20 0 GEADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824764484 608750851 /nfs/dbraw/zinc/75/08/51/608750851.db2.gz WPDPYPJJPMWENZ-CFJPQMKISA-N 1 2 395.492 2.445 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000824999643 608835271 /nfs/dbraw/zinc/83/52/71/608835271.db2.gz IRSBHYZMTRVRGZ-NSHDSACASA-N 1 2 388.838 2.160 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000824999643 608835274 /nfs/dbraw/zinc/83/52/74/608835274.db2.gz IRSBHYZMTRVRGZ-NSHDSACASA-N 1 2 388.838 2.160 20 0 GEADLO FC(F)O[C@@H]1CCC[N@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000826369895 609281368 /nfs/dbraw/zinc/28/13/68/609281368.db2.gz VCHIRLRCNZXPPP-CQSZACIVSA-N 1 2 375.383 2.391 20 0 GEADLO FC(F)O[C@@H]1CCC[N@@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000826369895 609281370 /nfs/dbraw/zinc/28/13/70/609281370.db2.gz VCHIRLRCNZXPPP-CQSZACIVSA-N 1 2 375.383 2.391 20 0 GEADLO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824616914 609325066 /nfs/dbraw/zinc/32/50/66/609325066.db2.gz AZZAPSCQKWGWAB-CQSZACIVSA-N 1 2 396.474 2.003 20 0 GEADLO COCCCOCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000826156500 609370243 /nfs/dbraw/zinc/37/02/43/609370243.db2.gz GNRCNKMJOGYUIK-UHFFFAOYSA-N 1 2 384.278 2.114 20 0 GEADLO COCCCOCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000826156500 609370245 /nfs/dbraw/zinc/37/02/45/609370245.db2.gz GNRCNKMJOGYUIK-UHFFFAOYSA-N 1 2 384.278 2.114 20 0 GEADLO CC[C@@H]1C[C@@H](CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825181465 609375843 /nfs/dbraw/zinc/37/58/43/609375843.db2.gz DZATVMWAWXLIND-PKOBYXMFSA-N 1 2 398.511 2.106 20 0 GEADLO CC(C)(C)c1cnc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)s1 ZINC000447946217 650011948 /nfs/dbraw/zinc/01/19/48/650011948.db2.gz ZOMGREQOXUUYDQ-ZDUSSCGKSA-N 1 2 375.560 2.019 20 0 GEADLO CCOC(=O)CSc1nnc(NCc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000447953486 650011992 /nfs/dbraw/zinc/01/19/92/650011992.db2.gz JBYCQBRVAJGIKP-UHFFFAOYSA-N 1 2 381.508 3.053 20 0 GEADLO C[C@H]1C[NH+](CCCNC(=O)N=c2nc(-c3ccsc3)[nH]s2)C[C@H](C)O1 ZINC000447999401 650012462 /nfs/dbraw/zinc/01/24/62/650012462.db2.gz MGVSAGCKUZQBGS-RYUDHWBXSA-N 1 2 381.527 2.309 20 0 GEADLO C[C@@H](CNC(=O)c1ccccc1-n1cc(Br)cn1)[NH+]1CCOCC1 ZINC000448682858 650019211 /nfs/dbraw/zinc/01/92/11/650019211.db2.gz UHBVMAOBIAZWKK-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000448975185 650027814 /nfs/dbraw/zinc/02/78/14/650027814.db2.gz NYBMSZQAHRSGKE-LLVKDONJSA-N 1 2 388.281 2.050 20 0 GEADLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000449746079 650048637 /nfs/dbraw/zinc/04/86/37/650048637.db2.gz QCHDWUFQBRPFLO-CYBMUJFWSA-N 1 2 380.290 2.332 20 0 GEADLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000449746079 650048639 /nfs/dbraw/zinc/04/86/39/650048639.db2.gz QCHDWUFQBRPFLO-CYBMUJFWSA-N 1 2 380.290 2.332 20 0 GEADLO O=C(CS(=O)(=O)C1CC1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000449849670 650053739 /nfs/dbraw/zinc/05/37/39/650053739.db2.gz OAILZOYBFDDNKV-UHFFFAOYSA-N 1 2 384.929 2.245 20 0 GEADLO COc1cc(Br)c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1OC ZINC000449960811 650057211 /nfs/dbraw/zinc/05/72/11/650057211.db2.gz RNSOXBWJFJNUOJ-LBPRGKRZSA-N 1 2 399.285 2.013 20 0 GEADLO CC[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@@H+]1C[C@@H](C)O ZINC000450024908 650058277 /nfs/dbraw/zinc/05/82/77/650058277.db2.gz IQALLVWARPVZIO-MNOVXSKESA-N 1 2 389.265 2.211 20 0 GEADLO CC[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@H+]1C[C@@H](C)O ZINC000450024908 650058279 /nfs/dbraw/zinc/05/82/79/650058279.db2.gz IQALLVWARPVZIO-MNOVXSKESA-N 1 2 389.265 2.211 20 0 GEADLO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000450120144 650060482 /nfs/dbraw/zinc/06/04/82/650060482.db2.gz FLVLQASSWINBDI-UHFFFAOYSA-N 1 2 389.265 2.259 20 0 GEADLO CC(=O)NC[C@@H]1CN(c2cc[nH+]c3cc(F)c(Br)cc32)CCO1 ZINC000450339821 650064023 /nfs/dbraw/zinc/06/40/23/650064023.db2.gz CBKWTDAESGDVIU-LLVKDONJSA-N 1 2 382.233 2.478 20 0 GEADLO Cc1ccc(Br)cc1C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000450453387 650065237 /nfs/dbraw/zinc/06/52/37/650065237.db2.gz PBWZBBNFOYMGQU-UHFFFAOYSA-N 1 2 377.286 2.173 20 0 GEADLO O=S1(=O)CC[C@](O)(CNc2cc[nH+]c3cc(F)c(Br)cc23)C1 ZINC000450631817 650068414 /nfs/dbraw/zinc/06/84/14/650068414.db2.gz HRBSZUQXWHCIGW-AWEZNQCLSA-N 1 2 389.246 2.098 20 0 GEADLO CC(C)C[C@H](CNS(=O)(=O)C[C@H]1CCCCC1(F)F)[NH+]1CCOCC1 ZINC000451012594 650080221 /nfs/dbraw/zinc/08/02/21/650080221.db2.gz DIQXTWKUSIVCQG-HZPDHXFCSA-N 1 2 382.517 2.478 20 0 GEADLO COC(=O)[C@H]1Cc2c(Br)cccc2CN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000451276144 650100121 /nfs/dbraw/zinc/10/01/21/650100121.db2.gz JWHNXHMQUWEBIR-SUMWQHHRSA-N 1 2 397.313 2.070 20 0 GEADLO COC(=O)[C@H]1Cc2c(Br)cccc2CN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000451276144 650100123 /nfs/dbraw/zinc/10/01/23/650100123.db2.gz JWHNXHMQUWEBIR-SUMWQHHRSA-N 1 2 397.313 2.070 20 0 GEADLO CCOC[C@H](C)CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000451361794 650107494 /nfs/dbraw/zinc/10/74/94/650107494.db2.gz OZZHEDJAILQWEH-ZLIFDBKOSA-N 1 2 376.469 2.302 20 0 GEADLO CCOC[C@H](C)CS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000451361794 650107497 /nfs/dbraw/zinc/10/74/97/650107497.db2.gz OZZHEDJAILQWEH-ZLIFDBKOSA-N 1 2 376.469 2.302 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000451451904 650115632 /nfs/dbraw/zinc/11/56/32/650115632.db2.gz DHRPBEIMTDJFQH-GUYCJALGSA-N 1 2 387.318 2.144 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)CC[N@H+]2CCOC[C@@H]2C)c1 ZINC000451451904 650115633 /nfs/dbraw/zinc/11/56/33/650115633.db2.gz DHRPBEIMTDJFQH-GUYCJALGSA-N 1 2 387.318 2.144 20 0 GEADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451568066 650125967 /nfs/dbraw/zinc/12/59/67/650125967.db2.gz MFSPHCYUVONNDU-HNNXBMFYSA-N 1 2 396.329 2.223 20 0 GEADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451568066 650125971 /nfs/dbraw/zinc/12/59/71/650125971.db2.gz MFSPHCYUVONNDU-HNNXBMFYSA-N 1 2 396.329 2.223 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@H](C)[N@H+]1CCO ZINC000451887092 650150183 /nfs/dbraw/zinc/15/01/83/650150183.db2.gz FLLJVDJWQIRVHW-TXEJJXNPSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@H](C)[N@@H+]1CCO ZINC000451887092 650150185 /nfs/dbraw/zinc/15/01/85/650150185.db2.gz FLLJVDJWQIRVHW-TXEJJXNPSA-N 1 2 381.325 2.210 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2CCC[C@]3(CCSC3)C2)n1 ZINC000451988310 650161862 /nfs/dbraw/zinc/16/18/62/650161862.db2.gz ZROADKDHHUDADB-KRWDZBQOSA-N 1 2 383.539 2.406 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@H+]2CCC[C@]3(CCSC3)C2)n1 ZINC000451988310 650161865 /nfs/dbraw/zinc/16/18/65/650161865.db2.gz ZROADKDHHUDADB-KRWDZBQOSA-N 1 2 383.539 2.406 20 0 GEADLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000451990285 650162409 /nfs/dbraw/zinc/16/24/09/650162409.db2.gz JKZVSOKEFIOSCR-CYBMUJFWSA-N 1 2 398.301 2.456 20 0 GEADLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000451990285 650162411 /nfs/dbraw/zinc/16/24/11/650162411.db2.gz JKZVSOKEFIOSCR-CYBMUJFWSA-N 1 2 398.301 2.456 20 0 GEADLO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1nn(C)cc1I ZINC000453389814 650208927 /nfs/dbraw/zinc/20/89/27/650208927.db2.gz XUKTXFCGXOFTEB-SECBINFHSA-N 1 2 379.242 2.235 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC000453590276 650209539 /nfs/dbraw/zinc/20/95/39/650209539.db2.gz XKQVXRULIGZAQN-UHFFFAOYSA-N 1 2 391.269 2.100 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000453679096 650214879 /nfs/dbraw/zinc/21/48/79/650214879.db2.gz WVFDCDRIIRSJGQ-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000453679096 650214886 /nfs/dbraw/zinc/21/48/86/650214886.db2.gz WVFDCDRIIRSJGQ-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000454267860 650261148 /nfs/dbraw/zinc/26/11/48/650261148.db2.gz OTCYJGLYTLOHTF-PYLYLYNFSA-N 1 2 382.302 2.482 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000454663244 650274942 /nfs/dbraw/zinc/27/49/42/650274942.db2.gz UPLFMISYONTJLV-BAABZTOOSA-N 1 2 382.302 2.482 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000454663244 650274945 /nfs/dbraw/zinc/27/49/45/650274945.db2.gz UPLFMISYONTJLV-BAABZTOOSA-N 1 2 382.302 2.482 20 0 GEADLO Cc1noc(NC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000455108585 650291016 /nfs/dbraw/zinc/29/10/16/650291016.db2.gz NWWATULZBSPYAL-UHFFFAOYSA-N 1 2 395.217 2.086 20 0 GEADLO O=C(c1ccc(I)cn1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000455375356 650301472 /nfs/dbraw/zinc/30/14/72/650301472.db2.gz CVXBTEVFINTHIB-JTQLQIEISA-N 1 2 382.205 2.429 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456719656 650358634 /nfs/dbraw/zinc/35/86/34/650358634.db2.gz NMKNNPITIWXTPJ-LBPRGKRZSA-N 1 2 384.249 2.211 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456719656 650358636 /nfs/dbraw/zinc/35/86/36/650358636.db2.gz NMKNNPITIWXTPJ-LBPRGKRZSA-N 1 2 384.249 2.211 20 0 GEADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000500349786 650375569 /nfs/dbraw/zinc/37/55/69/650375569.db2.gz ZXXBRYQVVKGYHS-CQSZACIVSA-N 1 2 382.511 2.076 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000457725298 650383069 /nfs/dbraw/zinc/38/30/69/650383069.db2.gz ALKZFUNWXPCONB-BBRMVZONSA-N 1 2 397.317 2.411 20 0 GEADLO O=C(CCn1cc[nH+]c1)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458164685 650398414 /nfs/dbraw/zinc/39/84/14/650398414.db2.gz ZHCICNMYIQOPRU-ZDUSSCGKSA-N 1 2 384.249 2.142 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000502167704 650402420 /nfs/dbraw/zinc/40/24/20/650402420.db2.gz BNVZCSHMMCBKNR-OAHLLOKOSA-N 1 2 380.491 2.088 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000502167704 650402423 /nfs/dbraw/zinc/40/24/23/650402423.db2.gz BNVZCSHMMCBKNR-OAHLLOKOSA-N 1 2 380.491 2.088 20 0 GEADLO CNC(=O)Cn1nc(NCc2c[nH+]c3c(C)cc(Br)cn23)cc1C ZINC000542306876 650403161 /nfs/dbraw/zinc/40/31/61/650403161.db2.gz KIULFTRLQBJWEU-UHFFFAOYSA-N 1 2 391.273 2.268 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC3(CCO)CC3)[nH+]c12 ZINC000458681161 650407332 /nfs/dbraw/zinc/40/73/32/650407332.db2.gz WWUNYPTVCHRBSL-UHFFFAOYSA-N 1 2 381.274 2.162 20 0 GEADLO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000458884999 650413305 /nfs/dbraw/zinc/41/33/05/650413305.db2.gz GOGAGDGXBWQOKY-CQSZACIVSA-N 1 2 387.933 2.239 20 0 GEADLO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000458884999 650413306 /nfs/dbraw/zinc/41/33/06/650413306.db2.gz GOGAGDGXBWQOKY-CQSZACIVSA-N 1 2 387.933 2.239 20 0 GEADLO CCOC(=O)c1noc(C[NH2+]C(C)(C)COc2ncccc2Br)n1 ZINC000459366733 650423101 /nfs/dbraw/zinc/42/31/01/650423101.db2.gz DEFBYARVFPSAEK-UHFFFAOYSA-N 1 2 399.245 2.351 20 0 GEADLO Oc1cccc(CNc2cnn(CC[NH+]3CCOCC3)c2)c1Br ZINC000459443798 650424430 /nfs/dbraw/zinc/42/44/30/650424430.db2.gz BGCMYCKNTFDTKH-UHFFFAOYSA-N 1 2 381.274 2.296 20 0 GEADLO CCC(CC)(NC(=O)C1C[NH+](Cc2cscc2C(F)(F)F)C1)C(N)=O ZINC000459632315 650429484 /nfs/dbraw/zinc/42/94/84/650429484.db2.gz MPEQHILWFCKWTC-UHFFFAOYSA-N 1 2 377.432 2.359 20 0 GEADLO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000505460089 650438053 /nfs/dbraw/zinc/43/80/53/650438053.db2.gz LFBKTZGAGCJUJA-RDJZCZTQSA-N 1 2 388.265 2.321 20 0 GEADLO CCC1(CC)CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCS1(=O)=O ZINC000461112130 650449373 /nfs/dbraw/zinc/44/93/73/650449373.db2.gz IUSZTRIQBRWENV-AWEZNQCLSA-N 1 2 387.571 2.350 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000462014713 650464152 /nfs/dbraw/zinc/46/41/52/650464152.db2.gz IBCOYILQVWRVOG-UHFFFAOYSA-N 1 2 399.285 2.076 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000462014713 650464154 /nfs/dbraw/zinc/46/41/54/650464154.db2.gz IBCOYILQVWRVOG-UHFFFAOYSA-N 1 2 399.285 2.076 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cccc(I)c2)[C@@H](C)C[N@@H+]1C ZINC000507965840 650470827 /nfs/dbraw/zinc/47/08/27/650470827.db2.gz OQXVCXOADJCSAH-MNOVXSKESA-N 1 2 394.278 2.004 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cccc(I)c2)[C@@H](C)C[N@H+]1C ZINC000507965840 650470829 /nfs/dbraw/zinc/47/08/29/650470829.db2.gz OQXVCXOADJCSAH-MNOVXSKESA-N 1 2 394.278 2.004 20 0 GEADLO C[NH+]1CCN(C(=O)c2cc(NCc3ccc(Br)s3)ccn2)CC1 ZINC000508486021 650481175 /nfs/dbraw/zinc/48/11/75/650481175.db2.gz ZPKFSENFEBNLOC-UHFFFAOYSA-N 1 2 395.326 2.327 20 0 GEADLO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000509682227 650498915 /nfs/dbraw/zinc/49/89/15/650498915.db2.gz FRHPRQUEYZWSOD-AWEZNQCLSA-N 1 2 391.331 2.486 20 0 GEADLO COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CCS(=O)(=O)N(C)C ZINC000509682227 650498917 /nfs/dbraw/zinc/49/89/17/650498917.db2.gz FRHPRQUEYZWSOD-AWEZNQCLSA-N 1 2 391.331 2.486 20 0 GEADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000509861897 650501979 /nfs/dbraw/zinc/50/19/79/650501979.db2.gz DEYYVICAULLIIC-UHFFFAOYSA-N 1 2 383.857 2.318 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000510226475 650508863 /nfs/dbraw/zinc/50/88/63/650508863.db2.gz DVFRQRULBFWRKK-UHFFFAOYSA-N 1 2 384.889 2.151 20 0 GEADLO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCCc1[nH]cc[nH+]1 ZINC000469339374 650509387 /nfs/dbraw/zinc/50/93/87/650509387.db2.gz WWOJLFSJDARELN-OAHLLOKOSA-N 1 2 393.285 2.286 20 0 GEADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccccc1SCC(N)=O ZINC000470949170 650517435 /nfs/dbraw/zinc/51/74/35/650517435.db2.gz VUSVJCYGKNXVPZ-WDEREUQCSA-N 1 2 375.416 2.475 20 0 GEADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccccc1SCC(N)=O ZINC000470949170 650517436 /nfs/dbraw/zinc/51/74/36/650517436.db2.gz VUSVJCYGKNXVPZ-WDEREUQCSA-N 1 2 375.416 2.475 20 0 GEADLO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000510814048 650519684 /nfs/dbraw/zinc/51/96/84/650519684.db2.gz OZGVSKCVTNIARY-NHYWBVRUSA-N 1 2 384.889 2.428 20 0 GEADLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511058084 650524451 /nfs/dbraw/zinc/52/44/51/650524451.db2.gz DKYYZXHHJCQUSQ-CHWSQXEVSA-N 1 2 384.527 2.463 20 0 GEADLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511058084 650524456 /nfs/dbraw/zinc/52/44/56/650524456.db2.gz DKYYZXHHJCQUSQ-CHWSQXEVSA-N 1 2 384.527 2.463 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc(I)c2)[C@@H](C)C1 ZINC000511281789 650532123 /nfs/dbraw/zinc/53/21/23/650532123.db2.gz WDJKCHQWWJZQAU-NSHDSACASA-N 1 2 394.278 2.006 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cccc(I)c2)[C@@H](C)C1 ZINC000511281789 650532127 /nfs/dbraw/zinc/53/21/27/650532127.db2.gz WDJKCHQWWJZQAU-NSHDSACASA-N 1 2 394.278 2.006 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000475481938 650534027 /nfs/dbraw/zinc/53/40/27/650534027.db2.gz UUSOXECVNIXQGU-UHFFFAOYSA-N 1 2 391.200 2.491 20 0 GEADLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1ccc(Br)cc1N1CCOCC1 ZINC000475699282 650536352 /nfs/dbraw/zinc/53/63/52/650536352.db2.gz OUXCBVGRWNCXIC-CVEARBPZSA-N 1 2 394.313 2.139 20 0 GEADLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ccc(Br)cc1N1CCOCC1 ZINC000475699282 650536355 /nfs/dbraw/zinc/53/63/55/650536355.db2.gz OUXCBVGRWNCXIC-CVEARBPZSA-N 1 2 394.313 2.139 20 0 GEADLO CNC(=O)Cc1nc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cs1 ZINC000511567718 650538938 /nfs/dbraw/zinc/53/89/38/650538938.db2.gz QQTWGVKVALKRBN-MRXNPFEDSA-N 1 2 398.326 2.191 20 0 GEADLO O=C1CC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN12 ZINC000512419917 650547937 /nfs/dbraw/zinc/54/79/37/650547937.db2.gz FCGLNQGNRKDOJP-MRXNPFEDSA-N 1 2 375.270 2.441 20 0 GEADLO O=C1CC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN12 ZINC000512419917 650547942 /nfs/dbraw/zinc/54/79/42/650547942.db2.gz FCGLNQGNRKDOJP-MRXNPFEDSA-N 1 2 375.270 2.441 20 0 GEADLO NS(=O)(=O)CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000512812602 650554671 /nfs/dbraw/zinc/55/46/71/650554671.db2.gz WKRXWJMUBNFUKJ-UHFFFAOYSA-N 1 2 385.839 2.159 20 0 GEADLO CCC(CC)(NC(=O)C1C[NH+](Cc2sccc2Br)C1)C(N)=O ZINC000513242875 650560299 /nfs/dbraw/zinc/56/02/99/650560299.db2.gz ZKJLXMREXPOOSF-UHFFFAOYSA-N 1 2 388.331 2.103 20 0 GEADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000513425243 650562929 /nfs/dbraw/zinc/56/29/29/650562929.db2.gz RUVROZRMEZWKAG-CQSZACIVSA-N 1 2 386.323 2.358 20 0 GEADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000513425242 650562989 /nfs/dbraw/zinc/56/29/89/650562989.db2.gz RUVROZRMEZWKAG-AWEZNQCLSA-N 1 2 386.323 2.358 20 0 GEADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000513424720 650563012 /nfs/dbraw/zinc/56/30/12/650563012.db2.gz JALLXTSPOISHMJ-AWEZNQCLSA-N 1 2 386.323 2.358 20 0 GEADLO CNS(=O)(=O)c1csc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1 ZINC000513996033 650572584 /nfs/dbraw/zinc/57/25/84/650572584.db2.gz DFBVIDZYFQSZLB-AWEZNQCLSA-N 1 2 399.925 2.096 20 0 GEADLO O=C(NCCc1ccc(Br)s1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000514746794 650578408 /nfs/dbraw/zinc/57/84/08/650578408.db2.gz KIWTVZKWZDOLOU-UHFFFAOYSA-N 1 2 393.266 2.456 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C(=O)c2ccc(Cl)s2)CC1 ZINC000514872583 650582039 /nfs/dbraw/zinc/58/20/39/650582039.db2.gz QTTCITPLVHHXTN-UHFFFAOYSA-N 1 2 385.917 2.033 20 0 GEADLO O=C1NCCCC[C@H]1[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000478315409 650584351 /nfs/dbraw/zinc/58/43/51/650584351.db2.gz PFJJMNXDQJQJSS-MRXNPFEDSA-N 1 2 384.293 2.375 20 0 GEADLO NC(=O)[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1cccc(Br)c1 ZINC000518265586 650603869 /nfs/dbraw/zinc/60/38/69/650603869.db2.gz XHMYXJVNIXHHKW-CQSZACIVSA-N 1 2 388.225 2.445 20 0 GEADLO CCOc1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)cc1Br ZINC000480776520 650632003 /nfs/dbraw/zinc/63/20/03/650632003.db2.gz GDZOHZIIFHSLHG-UHFFFAOYSA-N 1 2 389.315 2.388 20 0 GEADLO CCOc1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)cc1Br ZINC000480776520 650632004 /nfs/dbraw/zinc/63/20/04/650632004.db2.gz GDZOHZIIFHSLHG-UHFFFAOYSA-N 1 2 389.315 2.388 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)CCCOc2ccccc2Br)CCO1 ZINC000523712794 650637458 /nfs/dbraw/zinc/63/74/58/650637458.db2.gz SJYAQABKDMEHIZ-CQSZACIVSA-N 1 2 385.302 2.445 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)CCCOc2ccccc2Br)CCO1 ZINC000523712794 650637460 /nfs/dbraw/zinc/63/74/60/650637460.db2.gz SJYAQABKDMEHIZ-CQSZACIVSA-N 1 2 385.302 2.445 20 0 GEADLO Cc1ccc(OCCC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c(Br)c1 ZINC000523748200 650638087 /nfs/dbraw/zinc/63/80/87/650638087.db2.gz NKFSRZMHWFMAAE-AWEZNQCLSA-N 1 2 385.302 2.363 20 0 GEADLO Cc1ccc(OCCC(=O)NCC[N@H+]2CCO[C@@H](C)C2)c(Br)c1 ZINC000523748200 650638090 /nfs/dbraw/zinc/63/80/90/650638090.db2.gz NKFSRZMHWFMAAE-AWEZNQCLSA-N 1 2 385.302 2.363 20 0 GEADLO CC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000524594424 650643614 /nfs/dbraw/zinc/64/36/14/650643614.db2.gz LQMNYXKKLDSOGZ-AAEUAGOBSA-N 1 2 391.693 2.053 20 0 GEADLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000524594424 650643617 /nfs/dbraw/zinc/64/36/17/650643617.db2.gz LQMNYXKKLDSOGZ-AAEUAGOBSA-N 1 2 391.693 2.053 20 0 GEADLO CC[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481916230 650656168 /nfs/dbraw/zinc/65/61/68/650656168.db2.gz NCXBFIZNFLELPC-CYBMUJFWSA-N 1 2 383.905 2.027 20 0 GEADLO CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCSCC2)c1 ZINC000482027671 650658452 /nfs/dbraw/zinc/65/84/52/650658452.db2.gz WNSUESXHZUCKPY-AWEZNQCLSA-N 1 2 385.555 2.141 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000525982299 650662142 /nfs/dbraw/zinc/66/21/42/650662142.db2.gz CWLNDYRJUDUBFQ-IJLUTSLNSA-N 1 2 388.331 2.386 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000525982299 650662143 /nfs/dbraw/zinc/66/21/43/650662143.db2.gz CWLNDYRJUDUBFQ-IJLUTSLNSA-N 1 2 388.331 2.386 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000483457447 650679012 /nfs/dbraw/zinc/67/90/12/650679012.db2.gz VKQCELKARDFHSG-VIFPVBQESA-N 1 2 385.649 2.442 20 0 GEADLO Cc1ccc(F)c(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1Br ZINC000483768857 650681470 /nfs/dbraw/zinc/68/14/70/650681470.db2.gz KNVRAEQLPBFVJY-UHFFFAOYSA-N 1 2 384.249 2.142 20 0 GEADLO C[C@@]1(Br)C[C@H]1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000528218283 650686804 /nfs/dbraw/zinc/68/68/04/650686804.db2.gz QABGYOVJZUODTQ-FUHWJXTLSA-N 1 2 397.313 2.187 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000528359142 650690778 /nfs/dbraw/zinc/69/07/78/650690778.db2.gz NZDPTEZQLBTWEB-MNOVXSKESA-N 1 2 382.404 2.307 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000528359142 650690781 /nfs/dbraw/zinc/69/07/81/650690781.db2.gz NZDPTEZQLBTWEB-MNOVXSKESA-N 1 2 382.404 2.307 20 0 GEADLO CN(CCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)CC(F)(F)F ZINC000484089009 650685100 /nfs/dbraw/zinc/68/51/00/650685100.db2.gz NPILDESAQAHKOU-HNNXBMFYSA-N 1 2 375.460 2.387 20 0 GEADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000528633807 650697131 /nfs/dbraw/zinc/69/71/31/650697131.db2.gz IZOAKKQVTVELJZ-WCDAPOTHSA-N 1 2 384.242 2.190 20 0 GEADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H]2C[C@]2(C)Br)CC1 ZINC000529115492 650701442 /nfs/dbraw/zinc/70/14/42/650701442.db2.gz ARXIZSYNUUOSBA-QAPCUYQASA-N 1 2 394.313 2.463 20 0 GEADLO O=C1NC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Br)s3)CCN12 ZINC000529536875 650703872 /nfs/dbraw/zinc/70/38/72/650703872.db2.gz OJMOHDSLFRHCRJ-SNVBAGLBSA-N 1 2 382.287 2.110 20 0 GEADLO O=C1NC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)CCN12 ZINC000529536875 650703874 /nfs/dbraw/zinc/70/38/74/650703874.db2.gz OJMOHDSLFRHCRJ-SNVBAGLBSA-N 1 2 382.287 2.110 20 0 GEADLO CCS(=O)(=O)C[C@H](C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840558 650729430 /nfs/dbraw/zinc/72/94/30/650729430.db2.gz JRFKNBJFPYGFQR-WFASDCNBSA-N 1 2 375.922 2.065 20 0 GEADLO CCS(=O)(=O)C[C@H](C)N(C)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531079298 650734358 /nfs/dbraw/zinc/73/43/58/650734358.db2.gz XJHOOUNIAGFZRZ-XJKSGUPXSA-N 1 2 389.949 2.407 20 0 GEADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531079535 650734647 /nfs/dbraw/zinc/73/46/47/650734647.db2.gz CLOUFHWMEHOLTM-WWGRRREGSA-N 1 2 389.949 2.406 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000531212733 650736365 /nfs/dbraw/zinc/73/63/65/650736365.db2.gz ULWQNMHUABIODF-JKSUJKDBSA-N 1 2 383.583 2.453 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2sccc2C1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000531212733 650736367 /nfs/dbraw/zinc/73/63/67/650736367.db2.gz ULWQNMHUABIODF-JKSUJKDBSA-N 1 2 383.583 2.453 20 0 GEADLO COc1ccc(Br)cc1C[N@H+](C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000011219348 642367543 /nfs/dbraw/zinc/36/75/43/642367543.db2.gz DZZJYQGBEFCPKP-SNVBAGLBSA-N 1 2 384.274 2.266 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000011219348 642367550 /nfs/dbraw/zinc/36/75/50/642367550.db2.gz DZZJYQGBEFCPKP-SNVBAGLBSA-N 1 2 384.274 2.266 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC000488523304 650747128 /nfs/dbraw/zinc/74/71/28/650747128.db2.gz MCYMLCZOHIBMMH-OAHLLOKOSA-N 1 2 375.560 2.139 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cnc(C(C)C)s2)C1 ZINC000488523304 650747131 /nfs/dbraw/zinc/74/71/31/650747131.db2.gz MCYMLCZOHIBMMH-OAHLLOKOSA-N 1 2 375.560 2.139 20 0 GEADLO O=C(C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1)Nc1ccc(Cl)cn1 ZINC000532899528 650754716 /nfs/dbraw/zinc/75/47/16/650754716.db2.gz CFLMBSMFWACDDV-UHFFFAOYSA-N 1 2 378.782 2.064 20 0 GEADLO NC(=O)c1ccsc1NC(=O)CC[NH+]1CCN(Cc2cccs2)CC1 ZINC000028886782 642453986 /nfs/dbraw/zinc/45/39/86/642453986.db2.gz QQIFSNGYOUKKGU-UHFFFAOYSA-N 1 2 378.523 2.055 20 0 GEADLO Cc1c(S(=O)(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cnn1C ZINC000489128670 650755310 /nfs/dbraw/zinc/75/53/10/650755310.db2.gz LKKMIMKYNQURJX-INIZCTEOSA-N 1 2 382.917 2.497 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(F)c(F)c1)[NH+]1CCOCC1 ZINC000031560126 642485894 /nfs/dbraw/zinc/48/58/94/642485894.db2.gz HXRJHQPOLYYMRO-QGZVFWFLSA-N 1 2 376.469 2.380 20 0 GEADLO COc1ccc(Cl)cc1CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031938960 642492540 /nfs/dbraw/zinc/49/25/40/642492540.db2.gz NYNRKXQLISTXEO-SFHVURJKSA-N 1 2 384.929 2.215 20 0 GEADLO CC(C)Cc1nnc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000043373203 642559023 /nfs/dbraw/zinc/55/90/23/642559023.db2.gz IBMSNGQXXNHLLU-INIZCTEOSA-N 1 2 385.559 2.066 20 0 GEADLO Cc1cc(Br)cc(C)c1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000489684160 650761674 /nfs/dbraw/zinc/76/16/74/650761674.db2.gz YQPWIAHDSVQWRA-UHFFFAOYSA-N 1 2 393.372 2.393 20 0 GEADLO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCCn2cc[nH+]c2)ccc1Cl ZINC000043946469 642566519 /nfs/dbraw/zinc/56/65/19/642566519.db2.gz PXHGTJYLILBHRT-UHFFFAOYSA-N 1 2 384.889 2.043 20 0 GEADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000046052743 642602740 /nfs/dbraw/zinc/60/27/40/642602740.db2.gz ZBPILROFVCIRLE-UHFFFAOYSA-N 1 2 382.302 2.122 20 0 GEADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000046052743 642602744 /nfs/dbraw/zinc/60/27/44/642602744.db2.gz ZBPILROFVCIRLE-UHFFFAOYSA-N 1 2 382.302 2.122 20 0 GEADLO O=C(C[NH+]1CCC(C(=O)Nc2nccs2)CC1)Nc1ccc(Cl)cn1 ZINC000047259641 642625615 /nfs/dbraw/zinc/62/56/15/642625615.db2.gz LYTBFNBVNGEGAM-UHFFFAOYSA-N 1 2 379.873 2.481 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)NCC(F)(F)F ZINC000047262342 642625737 /nfs/dbraw/zinc/62/57/37/642625737.db2.gz YWJQYNSEMLZHSO-JTQLQIEISA-N 1 2 378.782 2.064 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)NCC(F)(F)F ZINC000047262342 642625740 /nfs/dbraw/zinc/62/57/40/642625740.db2.gz YWJQYNSEMLZHSO-JTQLQIEISA-N 1 2 378.782 2.064 20 0 GEADLO O=C(COC(=O)c1ccc(Cl)nc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000050353099 642680412 /nfs/dbraw/zinc/68/04/12/642680412.db2.gz HYEQBQRVPIHXGJ-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000052750020 642726575 /nfs/dbraw/zinc/72/65/75/642726575.db2.gz WBWZOYPGUAASOS-NSHDSACASA-N 1 2 397.248 2.110 20 0 GEADLO Cc1n[nH]c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1Br ZINC000054675557 642755650 /nfs/dbraw/zinc/75/56/50/642755650.db2.gz LIYGJXVFZYGMPE-AWEZNQCLSA-N 1 2 393.285 2.111 20 0 GEADLO Cc1n[nH]c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Br ZINC000054675557 642755655 /nfs/dbraw/zinc/75/56/55/642755655.db2.gz LIYGJXVFZYGMPE-AWEZNQCLSA-N 1 2 393.285 2.111 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000054817192 642761109 /nfs/dbraw/zinc/76/11/09/642761109.db2.gz NUFWEPOKCYORFY-DOMZBBRYSA-N 1 2 398.301 2.293 20 0 GEADLO O=C(Cn1cc(Br)ccc1=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696629 642781097 /nfs/dbraw/zinc/78/10/97/642781097.db2.gz IAQVBOYLMSMCRH-UHFFFAOYSA-N 1 2 387.237 2.113 20 0 GEADLO O=C(NCCn1cc(Br)cn1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492060760 650789452 /nfs/dbraw/zinc/78/94/52/650789452.db2.gz ANHCUFUGPYGSGT-UHFFFAOYSA-N 1 2 390.245 2.107 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(NCC(F)(F)F)s2)CC1 ZINC000057773347 642816947 /nfs/dbraw/zinc/81/69/47/642816947.db2.gz OGAFHWQSUFQUAA-VIFPVBQESA-N 1 2 383.465 2.157 20 0 GEADLO O=C(NCCn1cc[nH+]c1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000066340608 642909667 /nfs/dbraw/zinc/90/96/67/642909667.db2.gz YWIKZRIQBFEVQQ-CQSZACIVSA-N 1 2 392.301 2.471 20 0 GEADLO Brc1cnn(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000066349858 642911210 /nfs/dbraw/zinc/91/12/10/642911210.db2.gz STFZDEYRAYTKHJ-UHFFFAOYSA-N 1 2 393.285 2.192 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000067590123 642973289 /nfs/dbraw/zinc/97/32/89/642973289.db2.gz DXEGUBBDKRPIQE-HNNXBMFYSA-N 1 2 379.258 2.429 20 0 GEADLO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CCn1cc[nH+]c1 ZINC000068129655 642988086 /nfs/dbraw/zinc/98/80/86/642988086.db2.gz CRMKOBQUJJAKKX-UHFFFAOYSA-N 1 2 377.344 2.214 20 0 GEADLO CC(C)(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000068506822 643003945 /nfs/dbraw/zinc/00/39/45/643003945.db2.gz QKIYCIFJKJUXPF-UHFFFAOYSA-N 1 2 386.945 2.243 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000068507383 643004455 /nfs/dbraw/zinc/00/44/55/643004455.db2.gz OCSAYCASKZJUBZ-UHFFFAOYSA-N 1 2 393.336 2.161 20 0 GEADLO CC(C)Sc1ccccc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000068508894 643004546 /nfs/dbraw/zinc/00/45/46/643004546.db2.gz IIEPKWGLNBPSBN-UHFFFAOYSA-N 1 2 384.567 2.426 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2csc(-c3cccs3)n2)CC1 ZINC000068508328 643004721 /nfs/dbraw/zinc/00/47/21/643004721.db2.gz BEXGTAZWIFJNLX-UHFFFAOYSA-N 1 2 399.563 2.110 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000069803173 643040829 /nfs/dbraw/zinc/04/08/29/643040829.db2.gz LYBDPGOZZSEAQX-OAHLLOKOSA-N 1 2 396.329 2.432 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](CN2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000069803173 643040833 /nfs/dbraw/zinc/04/08/33/643040833.db2.gz LYBDPGOZZSEAQX-OAHLLOKOSA-N 1 2 396.329 2.432 20 0 GEADLO CCOc1cc(C[N@H+](CCOC)[C@H](C)C(N)=O)cc(Br)c1OC ZINC000093138509 643075461 /nfs/dbraw/zinc/07/54/61/643075461.db2.gz CQDXPSCVHZHVRP-LLVKDONJSA-N 1 2 389.290 2.179 20 0 GEADLO CCOc1cc(C[N@@H+](CCOC)[C@H](C)C(N)=O)cc(Br)c1OC ZINC000093138509 643075471 /nfs/dbraw/zinc/07/54/71/643075471.db2.gz CQDXPSCVHZHVRP-LLVKDONJSA-N 1 2 389.290 2.179 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CCOc2ccccc2Br)CC1 ZINC000093291287 643075617 /nfs/dbraw/zinc/07/56/17/643075617.db2.gz IMNUHVZRCBKBME-AWEZNQCLSA-N 1 2 396.329 2.113 20 0 GEADLO Cc1nn(C)c(Cl)c1C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000097027584 643093914 /nfs/dbraw/zinc/09/39/14/643093914.db2.gz GTRAPDXNWBWVSN-UHFFFAOYSA-N 1 2 382.917 2.325 20 0 GEADLO COCCCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000103226125 643159231 /nfs/dbraw/zinc/15/92/31/643159231.db2.gz AJJYGUPHHGVBNI-UHFFFAOYSA-N 1 2 380.432 2.227 20 0 GEADLO Cc1ccsc1S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000537657681 650820343 /nfs/dbraw/zinc/82/03/43/650820343.db2.gz SGSLOGYSBFWVEC-DLBZAZTESA-N 1 2 380.535 2.218 20 0 GEADLO Cc1ccsc1S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000537657681 650820344 /nfs/dbraw/zinc/82/03/44/650820344.db2.gz SGSLOGYSBFWVEC-DLBZAZTESA-N 1 2 380.535 2.218 20 0 GEADLO CN(C)C(=O)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000105400781 643205324 /nfs/dbraw/zinc/20/53/24/643205324.db2.gz PFMQVFUUPLHRAA-MRXNPFEDSA-N 1 2 390.281 2.467 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)CC(C)(C)C)sc2C1 ZINC000106361189 643228755 /nfs/dbraw/zinc/22/87/55/643228755.db2.gz DOBSRAAXSMTINO-GFCCVEGCSA-N 1 2 382.555 2.407 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)[C@H]3CSCN3C(=O)CC(C)(C)C)sc2C1 ZINC000106361189 643228761 /nfs/dbraw/zinc/22/87/61/643228761.db2.gz DOBSRAAXSMTINO-GFCCVEGCSA-N 1 2 382.555 2.407 20 0 GEADLO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000495206495 650823700 /nfs/dbraw/zinc/82/37/00/650823700.db2.gz YUBHBGMXUWYWTM-SJKOYZFVSA-N 1 2 388.917 2.165 20 0 GEADLO C[C@@H]1CC[C@@](CO)([N@@H+](C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000495206495 650823701 /nfs/dbraw/zinc/82/37/01/650823701.db2.gz YUBHBGMXUWYWTM-SJKOYZFVSA-N 1 2 388.917 2.165 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCCCn1cc[nH+]c1 ZINC000109107955 643289453 /nfs/dbraw/zinc/28/94/53/643289453.db2.gz MNWFWIIJHCMKDR-JTQLQIEISA-N 1 2 385.287 2.032 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2cccc(I)c2)CC1 ZINC000110920215 643322763 /nfs/dbraw/zinc/32/27/63/643322763.db2.gz FVDYTGRVUFXPMY-UHFFFAOYSA-N 1 2 388.249 2.086 20 0 GEADLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)c1cc(Br)c[nH]1 ZINC000111124699 643327014 /nfs/dbraw/zinc/32/70/14/643327014.db2.gz ZAEFBYRTDHXEAW-INIZCTEOSA-N 1 2 392.297 2.451 20 0 GEADLO Cn1c(CCC(N)=O)nn(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1=S ZINC000111171805 643328679 /nfs/dbraw/zinc/32/86/79/643328679.db2.gz XDEHTKNNMDMJTG-ZDUSSCGKSA-N 1 2 379.917 2.469 20 0 GEADLO Cn1c(CCC(N)=O)nn(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1=S ZINC000111171805 643328689 /nfs/dbraw/zinc/32/86/89/643328689.db2.gz XDEHTKNNMDMJTG-ZDUSSCGKSA-N 1 2 379.917 2.469 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000111456278 643340480 /nfs/dbraw/zinc/34/04/80/643340480.db2.gz WFKFDJKYFYZBMT-NHYWBVRUSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000111456283 643340615 /nfs/dbraw/zinc/34/06/15/643340615.db2.gz WFKFDJKYFYZBMT-XHDPSFHLSA-N 1 2 376.284 2.047 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000497035529 650832143 /nfs/dbraw/zinc/83/21/43/650832143.db2.gz OBXNYNMCHQRYAT-CYBMUJFWSA-N 1 2 387.307 2.177 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000538278298 650833437 /nfs/dbraw/zinc/83/34/37/650833437.db2.gz RMUGBRDAZLBWEN-UHFFFAOYSA-N 1 2 375.332 2.445 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000538278298 650833439 /nfs/dbraw/zinc/83/34/39/650833439.db2.gz RMUGBRDAZLBWEN-UHFFFAOYSA-N 1 2 375.332 2.445 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000113002977 643379927 /nfs/dbraw/zinc/37/99/27/643379927.db2.gz AZSVLMWOVYSUTC-YPMHNXCESA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000113002977 643379930 /nfs/dbraw/zinc/37/99/30/643379930.db2.gz AZSVLMWOVYSUTC-YPMHNXCESA-N 1 2 384.325 2.488 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(F)c2Br)C[C@@H]1C ZINC000497627346 650837839 /nfs/dbraw/zinc/83/78/39/650837839.db2.gz IUSRKQAUOXXKJS-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(F)c2Br)C[C@@H]1C ZINC000497627346 650837841 /nfs/dbraw/zinc/83/78/41/650837841.db2.gz IUSRKQAUOXXKJS-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO CCN(C(=O)NC1CC[NH+](Cc2ccsc2)CC1)[C@@H](C)CS(C)(=O)=O ZINC000115699340 643445374 /nfs/dbraw/zinc/44/53/74/643445374.db2.gz GNSLKVUTYNJOTE-AWEZNQCLSA-N 1 2 387.571 2.177 20 0 GEADLO C[C@H]1SCCN(CCS(=O)(=O)CC[N@@H+]2CCS[C@@H](C)[C@@H]2C)[C@H]1C ZINC000118414807 643512491 /nfs/dbraw/zinc/51/24/91/643512491.db2.gz QFAYQRHNQDXBIU-YHUYYLMFSA-N 1 2 380.645 2.053 20 0 GEADLO C[C@H]1SCCN(CCS(=O)(=O)CC[N@H+]2CCS[C@@H](C)[C@@H]2C)[C@H]1C ZINC000118414807 643512496 /nfs/dbraw/zinc/51/24/96/643512496.db2.gz QFAYQRHNQDXBIU-YHUYYLMFSA-N 1 2 380.645 2.053 20 0 GEADLO C[C@H]1SCC[N@@H+](CCS(=O)(=O)CCN2CCS[C@@H](C)[C@@H]2C)[C@H]1C ZINC000118414807 643512500 /nfs/dbraw/zinc/51/25/00/643512500.db2.gz QFAYQRHNQDXBIU-YHUYYLMFSA-N 1 2 380.645 2.053 20 0 GEADLO C[C@H]1SCC[N@H+](CCS(=O)(=O)CCN2CCS[C@@H](C)[C@@H]2C)[C@H]1C ZINC000118414807 643512505 /nfs/dbraw/zinc/51/25/05/643512505.db2.gz QFAYQRHNQDXBIU-YHUYYLMFSA-N 1 2 380.645 2.053 20 0 GEADLO CC(C)n1cc(Br)cc1C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000119973744 643583089 /nfs/dbraw/zinc/58/30/89/643583089.db2.gz ZLZKCYUVJAGYCA-UHFFFAOYSA-N 1 2 399.333 2.068 20 0 GEADLO CC(C)n1cc(Br)cc1C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000119973744 643583099 /nfs/dbraw/zinc/58/30/99/643583099.db2.gz ZLZKCYUVJAGYCA-UHFFFAOYSA-N 1 2 399.333 2.068 20 0 GEADLO CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1OC ZINC000539841114 650851073 /nfs/dbraw/zinc/85/10/73/650851073.db2.gz ZAGGMMYNXCXPNE-CYBMUJFWSA-N 1 2 376.906 2.390 20 0 GEADLO CCCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1OC ZINC000539841114 650851075 /nfs/dbraw/zinc/85/10/75/650851075.db2.gz ZAGGMMYNXCXPNE-CYBMUJFWSA-N 1 2 376.906 2.390 20 0 GEADLO COc1cc(Br)cc(NC(=O)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000498330287 650854482 /nfs/dbraw/zinc/85/44/82/650854482.db2.gz ZIYRGPVDJLHKFF-UHFFFAOYSA-N 1 2 393.241 2.020 20 0 GEADLO CCS[C@@H](C)c1noc(C[N@H+](C)CCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000121689964 643638113 /nfs/dbraw/zinc/63/81/13/643638113.db2.gz QLQYULADWGCMIC-LBPRGKRZSA-N 1 2 384.527 2.206 20 0 GEADLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000121689964 643638116 /nfs/dbraw/zinc/63/81/16/643638116.db2.gz QLQYULADWGCMIC-LBPRGKRZSA-N 1 2 384.527 2.206 20 0 GEADLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000126377581 643730717 /nfs/dbraw/zinc/73/07/17/643730717.db2.gz CDJWVELBUCXMEY-QKVFXAPYSA-N 1 2 375.332 2.106 20 0 GEADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000126377581 643730722 /nfs/dbraw/zinc/73/07/22/643730722.db2.gz CDJWVELBUCXMEY-QKVFXAPYSA-N 1 2 375.332 2.106 20 0 GEADLO CSCC[C@H](C)[N@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000126406007 643731875 /nfs/dbraw/zinc/73/18/75/643731875.db2.gz UNIDHPLZCSIXFF-DOTOQJQBSA-N 1 2 390.615 2.408 20 0 GEADLO CSCC[C@H](C)[N@@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000126406007 643731880 /nfs/dbraw/zinc/73/18/80/643731880.db2.gz UNIDHPLZCSIXFF-DOTOQJQBSA-N 1 2 390.615 2.408 20 0 GEADLO CCNc1ncc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)s1 ZINC000127393302 643774793 /nfs/dbraw/zinc/77/47/93/643774793.db2.gz IGOFDKGNJWZNQR-UHFFFAOYSA-N 1 2 380.436 2.302 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NCCCCn2cc[nH+]c2)cc1Cl ZINC000540942228 650865973 /nfs/dbraw/zinc/86/59/73/650865973.db2.gz JKZMEAISNFOSNJ-UHFFFAOYSA-N 1 2 388.852 2.393 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCS2)[C@H]1c1ccc(Cl)cc1 ZINC000498825616 650866289 /nfs/dbraw/zinc/86/62/89/650866289.db2.gz ABQITZAHXIMVDL-HRCADAONSA-N 1 2 381.929 2.213 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCS2)[C@H]1c1ccc(Cl)cc1 ZINC000498825616 650866291 /nfs/dbraw/zinc/86/62/91/650866291.db2.gz ABQITZAHXIMVDL-HRCADAONSA-N 1 2 381.929 2.213 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCS2)[C@H]1c1ccc(Cl)cc1 ZINC000498825618 650866759 /nfs/dbraw/zinc/86/67/59/650866759.db2.gz ABQITZAHXIMVDL-OWCLPIDISA-N 1 2 381.929 2.213 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCS2)[C@H]1c1ccc(Cl)cc1 ZINC000498825618 650866760 /nfs/dbraw/zinc/86/67/60/650866760.db2.gz ABQITZAHXIMVDL-OWCLPIDISA-N 1 2 381.929 2.213 20 0 GEADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)Cc1ccsc1 ZINC000128414035 643802256 /nfs/dbraw/zinc/80/22/56/643802256.db2.gz BGTLBQOVHWMPJF-CYBMUJFWSA-N 1 2 381.523 2.457 20 0 GEADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)Cc1ccsc1 ZINC000128414035 643802260 /nfs/dbraw/zinc/80/22/60/643802260.db2.gz BGTLBQOVHWMPJF-CYBMUJFWSA-N 1 2 381.523 2.457 20 0 GEADLO CC(=O)[C@H](NC(=O)C[NH2+][C@@H](CCO)c1ccccc1Br)C(C)C ZINC000541022553 650869007 /nfs/dbraw/zinc/86/90/07/650869007.db2.gz IHHICGLZIVWTPI-DOTOQJQBSA-N 1 2 385.302 2.192 20 0 GEADLO O=C(N[C@H](CCO)c1ccccc1Br)[C@H]1CCn2c[nH+]cc2C1 ZINC000541051792 650869858 /nfs/dbraw/zinc/86/98/58/650869858.db2.gz NXBDGIKOQFCRHX-BLLLJJGKSA-N 1 2 378.270 2.448 20 0 GEADLO O=C(N[C@H](CCO)c1ccccc1Br)[C@@H]1CCn2c[nH+]cc2C1 ZINC000541051794 650869939 /nfs/dbraw/zinc/86/99/39/650869939.db2.gz NXBDGIKOQFCRHX-MLGOLLRUSA-N 1 2 378.270 2.448 20 0 GEADLO CSCC[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1nnc2ccccn21 ZINC000130795687 643851384 /nfs/dbraw/zinc/85/13/84/643851384.db2.gz DSYDBJQJQZZTCY-KGLIPLIRSA-N 1 2 379.555 2.077 20 0 GEADLO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(OC)c(Br)s2)CC1 ZINC000131022128 643860002 /nfs/dbraw/zinc/86/00/02/643860002.db2.gz UCJAZOMRIBFFGY-JTQLQIEISA-N 1 2 377.304 2.048 20 0 GEADLO FC(F)(F)Cn1c(=S)n(C[N@@H+]2CCCSCC2)nc1N1CCOCC1 ZINC000133036917 643890965 /nfs/dbraw/zinc/89/09/65/643890965.db2.gz VRFNQAOUSCYDGX-UHFFFAOYSA-N 1 2 397.492 2.209 20 0 GEADLO FC(F)(F)Cn1c(=S)n(C[N@H+]2CCCSCC2)nc1N1CCOCC1 ZINC000133036917 643890971 /nfs/dbraw/zinc/89/09/71/643890971.db2.gz VRFNQAOUSCYDGX-UHFFFAOYSA-N 1 2 397.492 2.209 20 0 GEADLO O=C1CCC(=O)N1CCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153232343 643981860 /nfs/dbraw/zinc/98/18/60/643981860.db2.gz YLHJHXCVPKGLPQ-UHFFFAOYSA-N 1 2 384.307 2.303 20 0 GEADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)s1 ZINC000542614418 650890654 /nfs/dbraw/zinc/89/06/54/650890654.db2.gz XTBYCBFBHKMCEM-SECBINFHSA-N 1 2 388.902 2.042 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cs1 ZINC000159081045 644174981 /nfs/dbraw/zinc/17/49/81/644174981.db2.gz QBBLUASESABRJU-UHFFFAOYSA-N 1 2 388.580 2.243 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(C)c2)CC[N@@H+]1CCOC ZINC000166049268 644271644 /nfs/dbraw/zinc/27/16/44/644271644.db2.gz GHPQUULZRFEHJD-AWEZNQCLSA-N 1 2 375.922 2.165 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(C)c2)CC[N@H+]1CCOC ZINC000166049268 644271650 /nfs/dbraw/zinc/27/16/50/644271650.db2.gz GHPQUULZRFEHJD-AWEZNQCLSA-N 1 2 375.922 2.165 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc(F)cc1Br ZINC000171104868 644309889 /nfs/dbraw/zinc/30/98/89/644309889.db2.gz SEDOLCBPSYYDMD-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc(F)cc1Br ZINC000171104868 644309891 /nfs/dbraw/zinc/30/98/91/644309891.db2.gz SEDOLCBPSYYDMD-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO COC(=O)[C@@H](O)C1CC[NH+](Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000543396341 650909732 /nfs/dbraw/zinc/90/97/32/650909732.db2.gz QGYOGXUXLGNALT-HNNXBMFYSA-N 1 2 396.285 2.151 20 0 GEADLO CC(C)OCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000171498482 644326087 /nfs/dbraw/zinc/32/60/87/644326087.db2.gz CKEOLDLPEZFAEO-UHFFFAOYSA-N 1 2 380.432 2.225 20 0 GEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000543673194 650918679 /nfs/dbraw/zinc/91/86/79/650918679.db2.gz ACWUAKTWIJONCP-QWRGUYRKSA-N 1 2 389.315 2.097 20 0 GEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000543673194 650918681 /nfs/dbraw/zinc/91/86/81/650918681.db2.gz ACWUAKTWIJONCP-QWRGUYRKSA-N 1 2 389.315 2.097 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000179888894 644478667 /nfs/dbraw/zinc/47/86/67/644478667.db2.gz ZVCKLXWBBOZKEA-UHFFFAOYSA-N 1 2 388.225 2.055 20 0 GEADLO CCOc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cn1 ZINC000543801656 650924738 /nfs/dbraw/zinc/92/47/38/650924738.db2.gz UAUHIOXSFHZRKO-CYBMUJFWSA-N 1 2 381.523 2.267 20 0 GEADLO CCOc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cn1 ZINC000543801656 650924742 /nfs/dbraw/zinc/92/47/42/650924742.db2.gz UAUHIOXSFHZRKO-CYBMUJFWSA-N 1 2 381.523 2.267 20 0 GEADLO CS(=O)(=O)c1ccc(OCCC[N@@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000180564299 644507138 /nfs/dbraw/zinc/50/71/38/644507138.db2.gz NYMWXZUBEIEGMO-UHFFFAOYSA-N 1 2 376.469 2.132 20 0 GEADLO CS(=O)(=O)c1ccc(OCCC[N@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000180564299 644507141 /nfs/dbraw/zinc/50/71/41/644507141.db2.gz NYMWXZUBEIEGMO-UHFFFAOYSA-N 1 2 376.469 2.132 20 0 GEADLO O=S(=O)(c1cc(Br)c(F)cc1F)N1CC(n2cc[nH+]c2)C1 ZINC000543911705 650927895 /nfs/dbraw/zinc/92/78/95/650927895.db2.gz CMHWCRBXJZWZIP-UHFFFAOYSA-N 1 2 378.198 2.169 20 0 GEADLO C[N@@H+](Cc1nnnn1-c1ccccc1Br)C[C@@H]1CCCC[C@@H]1O ZINC000181487088 644538552 /nfs/dbraw/zinc/53/85/52/644538552.db2.gz MRGQHBXIAIUCER-WFASDCNBSA-N 1 2 380.290 2.408 20 0 GEADLO C[N@H+](Cc1nnnn1-c1ccccc1Br)C[C@@H]1CCCC[C@@H]1O ZINC000181487088 644538560 /nfs/dbraw/zinc/53/85/60/644538560.db2.gz MRGQHBXIAIUCER-WFASDCNBSA-N 1 2 380.290 2.408 20 0 GEADLO CN1CC[N@H+](C)C[C@H]1c1noc(COc2ccc(F)cc2Br)n1 ZINC000545085072 650961039 /nfs/dbraw/zinc/96/10/39/650961039.db2.gz DNRHFVNRZIZLRI-LBPRGKRZSA-N 1 2 385.237 2.469 20 0 GEADLO CN1CC[N@@H+](C)C[C@H]1c1noc(COc2ccc(F)cc2Br)n1 ZINC000545085072 650961048 /nfs/dbraw/zinc/96/10/48/650961048.db2.gz DNRHFVNRZIZLRI-LBPRGKRZSA-N 1 2 385.237 2.469 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3C[C@]34CCOC4)[nH+]c12 ZINC000545184607 650964178 /nfs/dbraw/zinc/96/41/78/650964178.db2.gz ZYCBPQKOQMNLFY-PBHICJAKSA-N 1 2 378.270 2.491 20 0 GEADLO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2ncc(C(C)C)s2)c1 ZINC000183789132 645003509 /nfs/dbraw/zinc/00/35/09/645003509.db2.gz ZVXGMHIXUQQQKC-UHFFFAOYSA-N 1 2 383.539 2.481 20 0 GEADLO Cc1nc(N2CCN(C(=O)Cc3cccc(Br)c3)CC2)cc[nH+]1 ZINC000185441314 645045599 /nfs/dbraw/zinc/04/55/99/645045599.db2.gz ZLMUAPHFODNDEE-UHFFFAOYSA-N 1 2 375.270 2.439 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)c1ccc(I)c(O)c1 ZINC000545490522 650976658 /nfs/dbraw/zinc/97/66/58/650976658.db2.gz MXVCVDDKVCEQCV-UHFFFAOYSA-N 1 2 383.189 2.234 20 0 GEADLO Cc1c(Br)cccc1NC(=O)C(=O)Nc1nc(Cl)cc(NN)[nH+]1 ZINC000188128028 645109453 /nfs/dbraw/zinc/10/94/53/645109453.db2.gz KUDZESUVYSELJL-UHFFFAOYSA-N 1 2 399.636 2.064 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(Cl)cc1F ZINC000188313901 645113562 /nfs/dbraw/zinc/11/35/62/645113562.db2.gz OBNNDNUMGMFBKD-LBPRGKRZSA-N 1 2 378.897 2.253 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c(Cl)cc1F ZINC000188313901 645113566 /nfs/dbraw/zinc/11/35/66/645113566.db2.gz OBNNDNUMGMFBKD-LBPRGKRZSA-N 1 2 378.897 2.253 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3[C@H]4CCCO[C@H]43)[nH+]c12 ZINC000546062900 650989811 /nfs/dbraw/zinc/98/98/11/650989811.db2.gz CZXSEDMGQYIYGE-RBSFLKMASA-N 1 2 378.270 2.489 20 0 GEADLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(CN2CCSC2=S)CC1 ZINC000193131850 645244645 /nfs/dbraw/zinc/24/46/45/645244645.db2.gz VGSJBRBWNDYMIJ-UHFFFAOYSA-N 1 2 375.567 2.360 20 0 GEADLO Cc1ccc(S(=O)(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)c(Cl)n1 ZINC000193937814 645306086 /nfs/dbraw/zinc/30/60/86/645306086.db2.gz MUFGEHXDWGDGGZ-AWEZNQCLSA-N 1 2 387.933 2.355 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000194535106 645331682 /nfs/dbraw/zinc/33/16/82/645331682.db2.gz UGXSVLYJSYKGGV-CYBMUJFWSA-N 1 2 382.302 2.458 20 0 GEADLO COCc1c(Br)cccc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000194753588 645346987 /nfs/dbraw/zinc/34/69/87/645346987.db2.gz KHGVHZYLAQKIKF-LBPRGKRZSA-N 1 2 386.290 2.438 20 0 GEADLO O=S(=O)(NCC[NH+]1CCSCC1)c1ccc(Cl)c(Br)c1 ZINC000236053469 645409721 /nfs/dbraw/zinc/40/97/21/645409721.db2.gz JULSFLCFUJZMLH-UHFFFAOYSA-N 1 2 399.763 2.430 20 0 GEADLO COC1(C)CN(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000546861490 651011657 /nfs/dbraw/zinc/01/16/57/651011657.db2.gz WHSDONZQRGRDIQ-UHFFFAOYSA-N 1 2 381.274 2.378 20 0 GEADLO COCC1(NC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)CC1 ZINC000546861151 651011724 /nfs/dbraw/zinc/01/17/24/651011724.db2.gz ZPCVIZZCELRVMF-UHFFFAOYSA-N 1 2 381.274 2.426 20 0 GEADLO CO[C@H]1CCN(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000546860973 651011744 /nfs/dbraw/zinc/01/17/44/651011744.db2.gz OJFPGCFTCIXUIB-AWEZNQCLSA-N 1 2 381.274 2.378 20 0 GEADLO CC1CC[NH+](CCCNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000247535979 645512577 /nfs/dbraw/zinc/51/25/77/645512577.db2.gz QKUPBCVLNFWXCJ-UHFFFAOYSA-N 1 2 388.555 2.028 20 0 GEADLO O[C@@H](CN1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(F)c(Br)c1 ZINC000248570492 645532375 /nfs/dbraw/zinc/53/23/75/645532375.db2.gz QPYCUZIXVQWOKP-YOEHRIQHSA-N 1 2 387.293 2.418 20 0 GEADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCCc1ccc(Br)cc1OC ZINC000249348511 645552983 /nfs/dbraw/zinc/55/29/83/645552983.db2.gz KBKCHRSDYZVAPX-HOCLYGCPSA-N 1 2 386.286 2.389 20 0 GEADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCCc1ccc(Br)cc1OC ZINC000249348511 645552987 /nfs/dbraw/zinc/55/29/87/645552987.db2.gz KBKCHRSDYZVAPX-HOCLYGCPSA-N 1 2 386.286 2.389 20 0 GEADLO COc1ccc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)cc1Br ZINC000253374736 645569720 /nfs/dbraw/zinc/56/97/20/645569720.db2.gz NJNYAZJMMBGAMP-CYBMUJFWSA-N 1 2 396.329 2.242 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)/C=C\c2ccc(Cl)s2)CC1 ZINC000255496768 645581253 /nfs/dbraw/zinc/58/12/53/645581253.db2.gz YPUJCCMXXRHRIF-HYXAFXHYSA-N 1 2 376.931 2.040 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000264761477 645712883 /nfs/dbraw/zinc/71/28/83/645712883.db2.gz YATPUJYLRVSNDL-UHFFFAOYSA-N 1 2 381.523 2.332 20 0 GEADLO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cs1 ZINC000265229004 645750139 /nfs/dbraw/zinc/75/01/39/645750139.db2.gz OTMFVPNVXCSXIN-ZDUSSCGKSA-N 1 2 381.523 2.319 20 0 GEADLO COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)cs1 ZINC000265229004 645750148 /nfs/dbraw/zinc/75/01/48/645750148.db2.gz OTMFVPNVXCSXIN-ZDUSSCGKSA-N 1 2 381.523 2.319 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCS(=O)(=O)[C@@H](C)C3)n2)C1 ZINC000265711188 645793630 /nfs/dbraw/zinc/79/36/30/645793630.db2.gz WAEXUCUEUVQVHD-OLZOCXBDSA-N 1 2 386.543 2.026 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCS(=O)(=O)[C@@H](C)C3)n2)C1 ZINC000265711188 645793633 /nfs/dbraw/zinc/79/36/33/645793633.db2.gz WAEXUCUEUVQVHD-OLZOCXBDSA-N 1 2 386.543 2.026 20 0 GEADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)Cc1csc(Br)c1 ZINC000266693868 645859517 /nfs/dbraw/zinc/85/95/17/645859517.db2.gz FCIXIXZTWJCVTF-PWSUYJOCSA-N 1 2 388.331 2.055 20 0 GEADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)Cc1csc(Br)c1 ZINC000266693868 645859520 /nfs/dbraw/zinc/85/95/20/645859520.db2.gz FCIXIXZTWJCVTF-PWSUYJOCSA-N 1 2 388.331 2.055 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000266887078 645864222 /nfs/dbraw/zinc/86/42/22/645864222.db2.gz DKLFNSQQPSSWBT-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000267131727 645886013 /nfs/dbraw/zinc/88/60/13/645886013.db2.gz WEBLLBONWXEMDL-LBPRGKRZSA-N 1 2 391.269 2.458 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269816226 646063448 /nfs/dbraw/zinc/06/34/48/646063448.db2.gz MZTUGUFJZMQOEE-NSHDSACASA-N 1 2 383.857 2.418 20 0 GEADLO O=C(C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)NCC(F)(F)F ZINC000270283638 646099863 /nfs/dbraw/zinc/09/98/63/646099863.db2.gz YPBTYGRUGSVXMQ-UHFFFAOYSA-N 1 2 382.173 2.342 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000270447827 646108516 /nfs/dbraw/zinc/10/85/16/646108516.db2.gz ITNQBEUMRKZJHS-XPTSAGLGSA-N 1 2 386.235 2.384 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000270447827 646108522 /nfs/dbraw/zinc/10/85/22/646108522.db2.gz ITNQBEUMRKZJHS-XPTSAGLGSA-N 1 2 386.235 2.384 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)CCn1cc[nH+]c1 ZINC000270937792 646155172 /nfs/dbraw/zinc/15/51/72/646155172.db2.gz RNLIUJYPTMXLTH-HNNXBMFYSA-N 1 2 380.242 2.408 20 0 GEADLO Cc1nn2c(C[N@@H+](C)[C@@H](C)c3cccc(S(N)(=O)=O)c3)c(C)nc2s1 ZINC000271209541 646179927 /nfs/dbraw/zinc/17/99/27/646179927.db2.gz UMEJISCKTGYJLO-NSHDSACASA-N 1 2 379.511 2.248 20 0 GEADLO Cc1nn2c(C[N@H+](C)[C@@H](C)c3cccc(S(N)(=O)=O)c3)c(C)nc2s1 ZINC000271209541 646179932 /nfs/dbraw/zinc/17/99/32/646179932.db2.gz UMEJISCKTGYJLO-NSHDSACASA-N 1 2 379.511 2.248 20 0 GEADLO Cc1nc(CC[NH+]2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000273231449 646311615 /nfs/dbraw/zinc/31/16/15/646311615.db2.gz DNFMJOOBJMYAGP-KRWDZBQOSA-N 1 2 378.929 2.492 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)c1nncn1C ZINC000275202662 646348174 /nfs/dbraw/zinc/34/81/74/646348174.db2.gz QRIWWCLWCKDKJD-ZJUUUORDSA-N 1 2 399.236 2.098 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC[C@H](C)S(=O)(=O)CC3)c[nH+]c12 ZINC000277463229 646425083 /nfs/dbraw/zinc/42/50/83/646425083.db2.gz LLHDOEKDWOCDAV-LBPRGKRZSA-N 1 2 386.315 2.414 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(=O)n1C ZINC000278086995 646491317 /nfs/dbraw/zinc/49/13/17/646491317.db2.gz PLUKPHFFYWTXTR-UHFFFAOYSA-N 1 2 379.258 2.199 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000278634795 646533908 /nfs/dbraw/zinc/53/39/08/646533908.db2.gz YHYGCYHWERCKPS-NSHDSACASA-N 1 2 391.269 2.278 20 0 GEADLO Cc1nn2c(nc(C)c2C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)s1 ZINC000279652434 646618493 /nfs/dbraw/zinc/61/84/93/646618493.db2.gz KSCAMBXCIMPUOV-CYBMUJFWSA-N 1 2 394.298 2.486 20 0 GEADLO COC(=O)c1nc([C@@H]2CCCN2C(=O)[C@@H](C)[NH+]2CCSCC2)sc1C ZINC000279656468 646619317 /nfs/dbraw/zinc/61/93/17/646619317.db2.gz KFCZUDNWVIYCNH-YPMHNXCESA-N 1 2 383.539 2.339 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000280454312 646683644 /nfs/dbraw/zinc/68/36/44/646683644.db2.gz GMJDWSNFNTZILG-OLZOCXBDSA-N 1 2 385.306 2.267 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000280485943 646687103 /nfs/dbraw/zinc/68/71/03/646687103.db2.gz VHXHVTACZVVFPE-UHFFFAOYSA-N 1 2 382.511 2.354 20 0 GEADLO CN(C(=O)C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1nccs1 ZINC000280653136 646702061 /nfs/dbraw/zinc/70/20/61/646702061.db2.gz ZHFUAMIVOORJKP-LLVKDONJSA-N 1 2 375.372 2.328 20 0 GEADLO CN(C(=O)C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1nccs1 ZINC000280653140 646702185 /nfs/dbraw/zinc/70/21/85/646702185.db2.gz ZHFUAMIVOORJKP-NSHDSACASA-N 1 2 375.372 2.328 20 0 GEADLO CC(C)NC(=O)CC[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280850843 646725403 /nfs/dbraw/zinc/72/54/03/646725403.db2.gz YBZRINWFPZPCNN-UHFFFAOYSA-N 1 2 380.290 2.376 20 0 GEADLO CC(C)NC(=O)CC[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280850843 646725408 /nfs/dbraw/zinc/72/54/08/646725408.db2.gz YBZRINWFPZPCNN-UHFFFAOYSA-N 1 2 380.290 2.376 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)NCCCNC(=O)c1cccc(Br)c1 ZINC000280972664 646733894 /nfs/dbraw/zinc/73/38/94/646733894.db2.gz OMYIRASNWMFJMD-UHFFFAOYSA-N 1 2 379.258 2.041 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000281138405 646749495 /nfs/dbraw/zinc/74/94/95/646749495.db2.gz ZCGRQHQLWLWIFR-UHFFFAOYSA-N 1 2 384.889 2.013 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1CCSCC1)c1ccccc1Cl ZINC000283245380 646823125 /nfs/dbraw/zinc/82/31/25/646823125.db2.gz DCNMGQAODHBFOH-INIZCTEOSA-N 1 2 383.945 2.318 20 0 GEADLO COC(=O)[C@H]1CC[C@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000285984796 646863328 /nfs/dbraw/zinc/86/33/28/646863328.db2.gz FZUMVAQDXYOFSD-KGLIPLIRSA-N 1 2 394.269 2.263 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)NC[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000288135080 646908948 /nfs/dbraw/zinc/90/89/48/646908948.db2.gz ZHAXWIXNHQUCRO-CZUORRHYSA-N 1 2 387.933 2.067 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000288135076 646909068 /nfs/dbraw/zinc/90/90/68/646909068.db2.gz ZHAXWIXNHQUCRO-BBRMVZONSA-N 1 2 387.933 2.067 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000292012764 647181068 /nfs/dbraw/zinc/18/10/68/647181068.db2.gz OOQVWBAXFPBFRH-UHFFFAOYSA-N 1 2 394.229 2.359 20 0 GEADLO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329094899 647317190 /nfs/dbraw/zinc/31/71/90/647317190.db2.gz XTGPYZRDFNVCEV-UAGQMJEPSA-N 1 2 386.286 2.069 20 0 GEADLO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329094899 647317194 /nfs/dbraw/zinc/31/71/94/647317194.db2.gz XTGPYZRDFNVCEV-UAGQMJEPSA-N 1 2 386.286 2.069 20 0 GEADLO Cc1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c(C)[nH+]1 ZINC000330109426 647330462 /nfs/dbraw/zinc/33/04/62/647330462.db2.gz PDKOPQYBCMIELJ-UHFFFAOYSA-N 1 2 379.507 2.407 20 0 GEADLO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000332106643 647411929 /nfs/dbraw/zinc/41/19/29/647411929.db2.gz ZRLLXMBCVOUFCN-LBPRGKRZSA-N 1 2 382.873 2.210 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C)cccc2Br)CC1 ZINC000332229037 647424839 /nfs/dbraw/zinc/42/48/39/647424839.db2.gz NOKUEAVLLWKKRC-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C)cccc2Br)CC1 ZINC000332229037 647424842 /nfs/dbraw/zinc/42/48/42/647424842.db2.gz NOKUEAVLLWKKRC-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3cc(F)cc(Cl)c3)nc2)CC1 ZINC000332537717 647442923 /nfs/dbraw/zinc/44/29/23/647442923.db2.gz JYMLYRHQDHLTQC-UHFFFAOYSA-N 1 2 384.864 2.427 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[S@@](=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000332765560 647452488 /nfs/dbraw/zinc/45/24/88/647452488.db2.gz OOAGVQPSMWPZQJ-GDVJCWQBSA-N 1 2 387.908 2.292 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[S@@](=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000332765560 647452499 /nfs/dbraw/zinc/45/24/99/647452499.db2.gz OOAGVQPSMWPZQJ-GDVJCWQBSA-N 1 2 387.908 2.292 20 0 GEADLO C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C[C@@H](C)S1(=O)=O ZINC000332860378 647454725 /nfs/dbraw/zinc/45/47/25/647454725.db2.gz CRCOHBBHLRVCRD-KFWWJZLASA-N 1 2 385.555 2.102 20 0 GEADLO C[C@@H]1CCN(C(=O)c2nc3ccc(Br)cn3n2)C[C@H]1n1cc[nH+]c1 ZINC000333952255 647486695 /nfs/dbraw/zinc/48/66/95/647486695.db2.gz ZUHHYKDQKIKNMG-DGCLKSJQSA-N 1 2 389.257 2.412 20 0 GEADLO Cc1cc(CS(=O)(=O)NCC2CC[NH+](Cc3csc(C)n3)CC2)no1 ZINC000363412264 647595359 /nfs/dbraw/zinc/59/53/59/647595359.db2.gz PBKGZGAPDPVDMQ-UHFFFAOYSA-N 1 2 384.527 2.080 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3c(F)cccc3Br)C2)nn1 ZINC000363908221 647612110 /nfs/dbraw/zinc/61/21/10/647612110.db2.gz KVFWGFHKTGCKCZ-SNVBAGLBSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3c(F)cccc3Br)C2)nn1 ZINC000363908221 647612116 /nfs/dbraw/zinc/61/21/16/647612116.db2.gz KVFWGFHKTGCKCZ-SNVBAGLBSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(Br)cc3OC)C2)nn1 ZINC000363908118 647612133 /nfs/dbraw/zinc/61/21/33/647612133.db2.gz NMLSGLJORNQPOV-ZDUSSCGKSA-N 1 2 395.257 2.283 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(Br)cc3OC)C2)nn1 ZINC000363908118 647612147 /nfs/dbraw/zinc/61/21/47/647612147.db2.gz NMLSGLJORNQPOV-ZDUSSCGKSA-N 1 2 395.257 2.283 20 0 GEADLO CC(C)n1cc(C[N@@H+]2CCCN(S(=O)(=O)[C@H](C)C(F)(F)F)CC2)cn1 ZINC000363972196 647615003 /nfs/dbraw/zinc/61/50/03/647615003.db2.gz LDOPCZOFMGPQKH-CYBMUJFWSA-N 1 2 382.452 2.252 20 0 GEADLO CC(C)n1cc(C[N@H+]2CCCN(S(=O)(=O)[C@H](C)C(F)(F)F)CC2)cn1 ZINC000363972196 647615007 /nfs/dbraw/zinc/61/50/07/647615007.db2.gz LDOPCZOFMGPQKH-CYBMUJFWSA-N 1 2 382.452 2.252 20 0 GEADLO C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1ncc(Br)cc1F ZINC000364476051 647628626 /nfs/dbraw/zinc/62/86/26/647628626.db2.gz CUMKXQALCSZMMB-CABZTGNLSA-N 1 2 382.237 2.173 20 0 GEADLO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365094148 647658742 /nfs/dbraw/zinc/65/87/42/647658742.db2.gz ZEKHYYHHEHZDDF-LLVKDONJSA-N 1 2 386.930 2.028 20 0 GEADLO Cc1cc(Br)cn2c(CNc3nnc(-c4cnn(C)c4)o3)c[nH+]c12 ZINC000365121473 647660406 /nfs/dbraw/zinc/66/04/06/647660406.db2.gz OJSJWYRXXTVDPN-UHFFFAOYSA-N 1 2 388.229 2.801 20 0 GEADLO CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365665159 647680306 /nfs/dbraw/zinc/68/03/06/647680306.db2.gz AAWOQXWJCKALKI-OSAQELSMSA-N 1 2 383.286 2.038 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000365753538 647685568 /nfs/dbraw/zinc/68/55/68/647685568.db2.gz ZZAAPROVCNLTMR-LBPRGKRZSA-N 1 2 379.258 2.232 20 0 GEADLO Cc1cc(NC(=O)C2CC[NH+](Cc3c(Br)c(C)nn3C)CC2)no1 ZINC000366154639 647695862 /nfs/dbraw/zinc/69/58/62/647695862.db2.gz DIIRNHDRSMROAD-UHFFFAOYSA-N 1 2 396.289 2.638 20 0 GEADLO CCOc1ccc(-c2nc(C[NH+]3CCC(S(N)(=O)=O)CC3)cs2)cc1 ZINC000367138704 647721299 /nfs/dbraw/zinc/72/12/99/647721299.db2.gz HQWAJKVKBGCCOD-UHFFFAOYSA-N 1 2 381.523 2.462 20 0 GEADLO C[C@H](c1nnc(-c2cccc(F)c2)s1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000367292883 647727389 /nfs/dbraw/zinc/72/73/89/647727389.db2.gz WGPWQWBTWNDWPP-LLVKDONJSA-N 1 2 384.502 2.406 20 0 GEADLO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000369051626 647768319 /nfs/dbraw/zinc/76/83/19/647768319.db2.gz OUESDAYFYUFBIJ-UHFFFAOYSA-N 1 2 386.880 2.226 20 0 GEADLO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000374343822 647822242 /nfs/dbraw/zinc/82/22/42/647822242.db2.gz ZICLAWNEGRASEP-LBPRGKRZSA-N 1 2 381.885 2.497 20 0 GEADLO CN1CCC[C@]2(CC[N@H+](Cc3ncc(I)s3)C2)C1=O ZINC000377684912 647864953 /nfs/dbraw/zinc/86/49/53/647864953.db2.gz YRADWDVESBNMCZ-CYBMUJFWSA-N 1 2 391.278 2.192 20 0 GEADLO CN1CCC[C@]2(CC[N@@H+](Cc3ncc(I)s3)C2)C1=O ZINC000377684912 647864955 /nfs/dbraw/zinc/86/49/55/647864955.db2.gz YRADWDVESBNMCZ-CYBMUJFWSA-N 1 2 391.278 2.192 20 0 GEADLO C[C@@H]1CN(C(=O)c2[nH]nc3ccc(I)cc32)[C@@H](C)C[N@@H+]1C ZINC000408071854 647922199 /nfs/dbraw/zinc/92/21/99/647922199.db2.gz QMDWYIYLEJDILC-ZJUUUORDSA-N 1 2 398.248 2.332 20 0 GEADLO C[C@@H]1CN(C(=O)c2[nH]nc3ccc(I)cc32)[C@@H](C)C[N@H+]1C ZINC000408071854 647922211 /nfs/dbraw/zinc/92/22/11/647922211.db2.gz QMDWYIYLEJDILC-ZJUUUORDSA-N 1 2 398.248 2.332 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000408071852 647922403 /nfs/dbraw/zinc/92/24/03/647922403.db2.gz QMDWYIYLEJDILC-UWVGGRQHSA-N 1 2 398.248 2.332 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000408071852 647922406 /nfs/dbraw/zinc/92/24/06/647922406.db2.gz QMDWYIYLEJDILC-UWVGGRQHSA-N 1 2 398.248 2.332 20 0 GEADLO CS(=O)(=O)c1ccc(F)c(CNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000409643581 647976110 /nfs/dbraw/zinc/97/61/10/647976110.db2.gz FOYWQTOJGHBFOI-UHFFFAOYSA-N 1 2 382.486 2.185 20 0 GEADLO CS(=O)(=O)c1ccc(F)c(CNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000409643581 647976112 /nfs/dbraw/zinc/97/61/12/647976112.db2.gz FOYWQTOJGHBFOI-UHFFFAOYSA-N 1 2 382.486 2.185 20 0 GEADLO C[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000409656524 647976739 /nfs/dbraw/zinc/97/67/39/647976739.db2.gz IYENRLQKNYQHCH-MCIONIFRSA-N 1 2 385.302 2.442 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc(F)c1Br ZINC000411189821 648026299 /nfs/dbraw/zinc/02/62/99/648026299.db2.gz GQDBEXXXUSQUHV-UHFFFAOYSA-N 1 2 384.249 2.142 20 0 GEADLO C[C@H](c1ncc(Br)cn1)[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411964920 648040312 /nfs/dbraw/zinc/04/03/12/648040312.db2.gz JOBJLUINKJAWTG-PXAZEXFGSA-N 1 2 375.270 2.429 20 0 GEADLO C[C@H](c1ncc(Br)cn1)[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411964920 648040314 /nfs/dbraw/zinc/04/03/14/648040314.db2.gz JOBJLUINKJAWTG-PXAZEXFGSA-N 1 2 375.270 2.429 20 0 GEADLO C[C@@H](c1ncc(Br)cn1)[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411964922 648040436 /nfs/dbraw/zinc/04/04/36/648040436.db2.gz JOBJLUINKJAWTG-SJCJKPOMSA-N 1 2 375.270 2.429 20 0 GEADLO C[C@@H](c1ncc(Br)cn1)[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411964922 648040441 /nfs/dbraw/zinc/04/04/41/648040441.db2.gz JOBJLUINKJAWTG-SJCJKPOMSA-N 1 2 375.270 2.429 20 0 GEADLO C[C@@H](O)CNc1cc(NC[C@H](C)Oc2ccc(Br)cc2)nc[nH+]1 ZINC000413166402 648061431 /nfs/dbraw/zinc/06/14/31/648061431.db2.gz IPXVGFBFIKQLBL-NEPJUHHUSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@@H](O)CNc1cc(NC[C@H](C)Oc2ccc(Br)cc2)[nH+]cn1 ZINC000413166402 648061436 /nfs/dbraw/zinc/06/14/36/648061436.db2.gz IPXVGFBFIKQLBL-NEPJUHHUSA-N 1 2 381.274 2.911 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCc1cccc(Br)c1 ZINC000413614679 648075594 /nfs/dbraw/zinc/07/55/94/648075594.db2.gz WONRHPGZHRYUKB-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO COc1cc(OC)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1Cl ZINC000416471689 648137155 /nfs/dbraw/zinc/13/71/55/648137155.db2.gz QULNUUQYXPEVIA-CYBMUJFWSA-N 1 2 376.906 2.318 20 0 GEADLO COc1cc(OC)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1Cl ZINC000416471689 648137160 /nfs/dbraw/zinc/13/71/60/648137160.db2.gz QULNUUQYXPEVIA-CYBMUJFWSA-N 1 2 376.906 2.318 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000416650328 648202236 /nfs/dbraw/zinc/20/22/36/648202236.db2.gz AQFOBCAPOYIXKI-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C[N@H+]1CCO ZINC000416650328 648202237 /nfs/dbraw/zinc/20/22/37/648202237.db2.gz AQFOBCAPOYIXKI-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416661746 648205267 /nfs/dbraw/zinc/20/52/67/648205267.db2.gz JVSWUQAIJBAWJL-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416661746 648205270 /nfs/dbraw/zinc/20/52/70/648205270.db2.gz JVSWUQAIJBAWJL-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1Cl ZINC000416662200 648205609 /nfs/dbraw/zinc/20/56/09/648205609.db2.gz KNVTWUBRBIJXJW-QWRGUYRKSA-N 1 2 397.324 2.078 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1Cl ZINC000416662200 648205612 /nfs/dbraw/zinc/20/56/12/648205612.db2.gz KNVTWUBRBIJXJW-QWRGUYRKSA-N 1 2 397.324 2.078 20 0 GEADLO OCCO[C@H]1CCC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000417799926 648262612 /nfs/dbraw/zinc/26/26/12/648262612.db2.gz TWXBMBGFDQVPGM-ZDUSSCGKSA-N 1 2 379.213 2.404 20 0 GEADLO OCCO[C@H]1CCC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC000417799926 648262617 /nfs/dbraw/zinc/26/26/17/648262617.db2.gz TWXBMBGFDQVPGM-ZDUSSCGKSA-N 1 2 379.213 2.404 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br)C(=O)N(C)C ZINC000420977117 648461293 /nfs/dbraw/zinc/46/12/93/648461293.db2.gz RNVHCRGFHAOPMR-HIFRSBDPSA-N 1 2 396.329 2.049 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1Br)C(=O)N(C)C ZINC000420977117 648461294 /nfs/dbraw/zinc/46/12/94/648461294.db2.gz RNVHCRGFHAOPMR-HIFRSBDPSA-N 1 2 396.329 2.049 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000422096144 648521841 /nfs/dbraw/zinc/52/18/41/648521841.db2.gz NHPVJZCRMLFQJT-SNVBAGLBSA-N 1 2 399.676 2.120 20 0 GEADLO CC(C)(CC[NH3+])NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000422568344 648559681 /nfs/dbraw/zinc/55/96/81/648559681.db2.gz BXQBCNLBWUTPER-UHFFFAOYSA-N 1 2 383.499 2.193 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000423109726 648580869 /nfs/dbraw/zinc/58/08/69/648580869.db2.gz ODYYNSVMMDQUSP-CQSZACIVSA-N 1 2 397.298 2.359 20 0 GEADLO COc1ncc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1Br ZINC000424765647 648645310 /nfs/dbraw/zinc/64/53/10/648645310.db2.gz JIDVOWXFRFCIMK-LBPRGKRZSA-N 1 2 377.242 2.256 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C[C@H](OC)C2CC2)CC1 ZINC000425413808 648675323 /nfs/dbraw/zinc/67/53/23/648675323.db2.gz HGKXQQPHNXSEEV-INIZCTEOSA-N 1 2 388.917 2.080 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)s1 ZINC000425464524 648678518 /nfs/dbraw/zinc/67/85/18/648678518.db2.gz ZMKWIELEMFCIIO-ZDUSSCGKSA-N 1 2 386.461 2.278 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)s1 ZINC000425464524 648678525 /nfs/dbraw/zinc/67/85/25/648678525.db2.gz ZMKWIELEMFCIIO-ZDUSSCGKSA-N 1 2 386.461 2.278 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000427055994 648721227 /nfs/dbraw/zinc/72/12/27/648721227.db2.gz BKHCXRWROYMNKH-LBPRGKRZSA-N 1 2 377.242 2.024 20 0 GEADLO O=C(c1cc(F)cc(Br)c1O)N1CC[NH+](C2CCOCC2)CC1 ZINC000436846592 648795725 /nfs/dbraw/zinc/79/57/25/648795725.db2.gz CBZNNQNILWNSNJ-UHFFFAOYSA-N 1 2 387.249 2.231 20 0 GEADLO O=C(c1cc(F)cc(Br)c1O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000436850541 648796197 /nfs/dbraw/zinc/79/61/97/648796197.db2.gz IIKRBWSOJMKATB-NSHDSACASA-N 1 2 387.249 2.088 20 0 GEADLO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(F)cc(Br)c1O ZINC000436857851 648797295 /nfs/dbraw/zinc/79/72/95/648797295.db2.gz LNCBMMJJTMRKLL-LBPRGKRZSA-N 1 2 389.265 2.261 20 0 GEADLO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)cc(Br)c1O ZINC000436857851 648797308 /nfs/dbraw/zinc/79/73/08/648797308.db2.gz LNCBMMJJTMRKLL-LBPRGKRZSA-N 1 2 389.265 2.261 20 0 GEADLO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc(Br)c1O ZINC000436859260 648798190 /nfs/dbraw/zinc/79/81/90/648798190.db2.gz SJTXUJAETKBKAH-LLVKDONJSA-N 1 2 375.238 2.134 20 0 GEADLO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc(Br)c1O ZINC000436859260 648798194 /nfs/dbraw/zinc/79/81/94/648798194.db2.gz SJTXUJAETKBKAH-LLVKDONJSA-N 1 2 375.238 2.134 20 0 GEADLO COC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438827345 648806037 /nfs/dbraw/zinc/80/60/37/648806037.db2.gz CAVCMDBGLMGNJD-UKRRQHHQSA-N 1 2 390.249 2.355 20 0 GEADLO COC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438827345 648806042 /nfs/dbraw/zinc/80/60/42/648806042.db2.gz CAVCMDBGLMGNJD-UKRRQHHQSA-N 1 2 390.249 2.355 20 0 GEADLO CC1(C[NH+]2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)COC1 ZINC000441258083 648824205 /nfs/dbraw/zinc/82/42/05/648824205.db2.gz SUJDNZOKLPGRGG-UHFFFAOYSA-N 1 2 378.416 2.048 20 0 GEADLO O=C(NCCOc1cccc(Br)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548281649 651075704 /nfs/dbraw/zinc/07/57/04/651075704.db2.gz SSVUFSPJMDKOIX-ZDUSSCGKSA-N 1 2 379.258 2.339 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccsc1Br ZINC000549185028 651093069 /nfs/dbraw/zinc/09/30/69/651093069.db2.gz WZWOMDIBCLGXJR-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccsc1Br ZINC000549185030 651093104 /nfs/dbraw/zinc/09/31/04/651093104.db2.gz WZWOMDIBCLGXJR-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO C[C@@H]1SCCN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)[C@H]1C ZINC000550415377 651110895 /nfs/dbraw/zinc/11/08/95/651110895.db2.gz XQIVYIRGJUTNQU-XEZPLFJOSA-N 1 2 383.945 2.411 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000550644395 651113441 /nfs/dbraw/zinc/11/34/41/651113441.db2.gz FVSRMYNHNFASLT-LBPRGKRZSA-N 1 2 391.269 2.305 20 0 GEADLO C[C@@H](NC(=O)NCCc1ccccc1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000552331730 651147026 /nfs/dbraw/zinc/14/70/26/651147026.db2.gz JUAHJWXXQCTSMO-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000552467199 651149817 /nfs/dbraw/zinc/14/98/17/651149817.db2.gz GGRJRQLHIJVXKE-NSHDSACASA-N 1 2 382.555 2.060 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000552467199 651149818 /nfs/dbraw/zinc/14/98/18/651149818.db2.gz GGRJRQLHIJVXKE-NSHDSACASA-N 1 2 382.555 2.060 20 0 GEADLO O=S(=O)(NCCn1cc[nH+]c1)c1cc(Br)cc2cccnc21 ZINC000553773065 651187815 /nfs/dbraw/zinc/18/78/15/651187815.db2.gz MEHCDRZPFAMKEI-UHFFFAOYSA-N 1 2 381.255 2.172 20 0 GEADLO O=S(=O)(c1cc(Br)cc2cccnc21)N1CC(n2cc[nH+]c2)C1 ZINC000553857232 651190766 /nfs/dbraw/zinc/19/07/66/651190766.db2.gz UIOBJDBMSKOOOZ-UHFFFAOYSA-N 1 2 393.266 2.439 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(Br)c4c3OCCC4)C[C@@H]21 ZINC000556462698 651244815 /nfs/dbraw/zinc/24/48/15/651244815.db2.gz ORWPFVYSURUMJQ-HOTGVXAUSA-N 1 2 395.297 2.319 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(Br)c4c3OCCC4)C[C@@H]21 ZINC000556462698 651244816 /nfs/dbraw/zinc/24/48/16/651244816.db2.gz ORWPFVYSURUMJQ-HOTGVXAUSA-N 1 2 395.297 2.319 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(Br)c1 ZINC000556598502 651247241 /nfs/dbraw/zinc/24/72/41/651247241.db2.gz PRZXLFQFDGUFKR-WHOFXGATSA-N 1 2 381.270 2.322 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(Br)c1 ZINC000556598502 651247245 /nfs/dbraw/zinc/24/72/45/651247245.db2.gz PRZXLFQFDGUFKR-WHOFXGATSA-N 1 2 381.270 2.322 20 0 GEADLO COc1cc(Br)cc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000556583704 651247328 /nfs/dbraw/zinc/24/73/28/651247328.db2.gz LQJQRYYVIQLDAY-OKILXGFUSA-N 1 2 384.274 2.442 20 0 GEADLO COc1cc(Br)cc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000556583704 651247332 /nfs/dbraw/zinc/24/73/32/651247332.db2.gz LQJQRYYVIQLDAY-OKILXGFUSA-N 1 2 384.274 2.442 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(Br)c1 ZINC000556598500 651247454 /nfs/dbraw/zinc/24/74/54/651247454.db2.gz PRZXLFQFDGUFKR-LNSITVRQSA-N 1 2 381.270 2.322 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(Br)c1 ZINC000556598500 651247459 /nfs/dbraw/zinc/24/74/59/651247459.db2.gz PRZXLFQFDGUFKR-LNSITVRQSA-N 1 2 381.270 2.322 20 0 GEADLO Cn1c[nH+]cc1[C@H]1C[C@@H](NS(=O)(=O)CCc2cccc(Cl)c2)CCO1 ZINC000556817280 651253911 /nfs/dbraw/zinc/25/39/11/651253911.db2.gz KHLQXFWHHGOGPP-DOTOQJQBSA-N 1 2 383.901 2.456 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000556989665 651259519 /nfs/dbraw/zinc/25/95/19/651259519.db2.gz GJWHXUYLTVFLME-LBPRGKRZSA-N 1 2 389.279 2.373 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000556989665 651259525 /nfs/dbraw/zinc/25/95/25/651259525.db2.gz GJWHXUYLTVFLME-LBPRGKRZSA-N 1 2 389.279 2.373 20 0 GEADLO NC(=O)c1cccc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)c1 ZINC000557178843 651265926 /nfs/dbraw/zinc/26/59/26/651265926.db2.gz LJXCEJPNMLWYFL-UHFFFAOYSA-N 1 2 386.253 2.419 20 0 GEADLO O=C(NCc1ccc(Br)s1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557354094 651269269 /nfs/dbraw/zinc/26/92/69/651269269.db2.gz BXWGNDBFTKBDJJ-UHFFFAOYSA-N 1 2 379.239 2.413 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000559148018 651291616 /nfs/dbraw/zinc/29/16/16/651291616.db2.gz MNWNKBGAXGDUHG-MJBXVCDLSA-N 1 2 390.933 2.467 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000559148018 651291619 /nfs/dbraw/zinc/29/16/19/651291619.db2.gz MNWNKBGAXGDUHG-MJBXVCDLSA-N 1 2 390.933 2.467 20 0 GEADLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cccc(Br)c3)CC2)C[C@@H](C)O1 ZINC000560169601 651304453 /nfs/dbraw/zinc/30/44/53/651304453.db2.gz FJEIIJXVGDMUAA-HUUCEWRRSA-N 1 2 396.329 2.207 20 0 GEADLO C[NH+](C)Cc1csc(CNc2ncc(I)cn2)n1 ZINC000722407927 651477928 /nfs/dbraw/zinc/47/79/28/651477928.db2.gz CUEKHWUFCYIETN-UHFFFAOYSA-N 1 2 375.239 2.211 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc2nn(C[N@@H+]3CC[C@@H](C)C3)c(=S)n2c1 ZINC000725778275 651479139 /nfs/dbraw/zinc/47/91/39/651479139.db2.gz LLKZGLFDGAVZAB-CYBMUJFWSA-N 1 2 383.543 2.195 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc2nn(C[N@H+]3CC[C@@H](C)C3)c(=S)n2c1 ZINC000725778275 651479142 /nfs/dbraw/zinc/47/91/42/651479142.db2.gz LLKZGLFDGAVZAB-CYBMUJFWSA-N 1 2 383.543 2.195 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N(C)Cc2cc(Br)cs2)CCO1 ZINC000726257314 651488657 /nfs/dbraw/zinc/48/86/57/651488657.db2.gz RPDKXLCYFOBZNJ-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)Cc2cc(Br)cs2)CCO1 ZINC000726257314 651488664 /nfs/dbraw/zinc/48/86/64/651488664.db2.gz RPDKXLCYFOBZNJ-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO O=C(c1ncc(I)s1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000603428464 651490303 /nfs/dbraw/zinc/49/03/03/651490303.db2.gz TWBDPTGUGUVJNG-UHFFFAOYSA-N 1 2 388.234 2.491 20 0 GEADLO Cc1csc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1Br ZINC000562352843 651492800 /nfs/dbraw/zinc/49/28/00/651492800.db2.gz RQIRWNLHVCTWOP-UHFFFAOYSA-N 1 2 399.314 2.600 20 0 GEADLO O=C(c1ncc(I)s1)N1CC[NH+](C2CCC2)CC1 ZINC000603437647 651493086 /nfs/dbraw/zinc/49/30/86/651493086.db2.gz QHOUXCDMCCOAIE-UHFFFAOYSA-N 1 2 377.251 2.058 20 0 GEADLO O=S(=O)(C[C@H]1CCCCO1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000562359248 651493235 /nfs/dbraw/zinc/49/32/35/651493235.db2.gz TZWCHRQGXZPBEU-QZTJIDSGSA-N 1 2 384.567 2.093 20 0 GEADLO O=S(=O)(C[C@H]1CCCCO1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000562359248 651493242 /nfs/dbraw/zinc/49/32/42/651493242.db2.gz TZWCHRQGXZPBEU-QZTJIDSGSA-N 1 2 384.567 2.093 20 0 GEADLO O=C(c1ncc(I)s1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000603438066 651493602 /nfs/dbraw/zinc/49/36/02/651493602.db2.gz XFECNIHNSNTAEU-VIFPVBQESA-N 1 2 388.234 2.422 20 0 GEADLO C[NH+]1CCN(C(=O)CCC(=O)c2ccc(I)cc2)CC1 ZINC000603475641 651495766 /nfs/dbraw/zinc/49/57/66/651495766.db2.gz SCMWJBSZUKQMRD-UHFFFAOYSA-N 1 2 386.233 2.028 20 0 GEADLO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)Nc1ccc2[nH+]ccn2c1 ZINC000603884759 651500985 /nfs/dbraw/zinc/50/09/85/651500985.db2.gz KDRTUYYHIFOLHK-UHFFFAOYSA-N 1 2 378.841 2.295 20 0 GEADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000726947379 651507458 /nfs/dbraw/zinc/50/74/58/651507458.db2.gz KYRXTPRXZPZQBV-UHFFFAOYSA-N 1 2 378.841 2.457 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCO[C@@H]4C[C@@H]43)[nH+]c12 ZINC000644227516 651526526 /nfs/dbraw/zinc/52/65/26/651526526.db2.gz REMQUFUEZOPTGT-UONOGXRCSA-N 1 2 379.258 2.130 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000605055046 651527890 /nfs/dbraw/zinc/52/78/90/651527890.db2.gz IQOLJULPNHPTLJ-SNVBAGLBSA-N 1 2 377.329 2.233 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000605055046 651527895 /nfs/dbraw/zinc/52/78/95/651527895.db2.gz IQOLJULPNHPTLJ-SNVBAGLBSA-N 1 2 377.329 2.233 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2OC)CC[N@@H+]1CCOC ZINC000605006401 651528172 /nfs/dbraw/zinc/52/81/72/651528172.db2.gz OWORXYCFVNXSTM-INIZCTEOSA-N 1 2 390.933 2.221 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2OC)CC[N@H+]1CCOC ZINC000605006401 651528177 /nfs/dbraw/zinc/52/81/77/651528177.db2.gz OWORXYCFVNXSTM-INIZCTEOSA-N 1 2 390.933 2.221 20 0 GEADLO CN(C)C(=O)[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000563518386 651528415 /nfs/dbraw/zinc/52/84/15/651528415.db2.gz CUYDGCCPGOWUNP-ZWNOBZJWSA-N 1 2 384.263 2.035 20 0 GEADLO CN(C)C(=O)[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000563518386 651528420 /nfs/dbraw/zinc/52/84/20/651528420.db2.gz CUYDGCCPGOWUNP-ZWNOBZJWSA-N 1 2 384.263 2.035 20 0 GEADLO CC1(C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)COC1 ZINC000605436054 651536849 /nfs/dbraw/zinc/53/68/49/651536849.db2.gz IVQOIFLLCOPVEB-UHFFFAOYSA-N 1 2 379.309 2.336 20 0 GEADLO CS(=O)(=O)N1CCC[C@@H]1CNc1[nH+]ccc2cc(Br)ccc21 ZINC000563689592 651537522 /nfs/dbraw/zinc/53/75/22/651537522.db2.gz OXMYOKGNYSJGGG-CYBMUJFWSA-N 1 2 384.299 2.833 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N1CCS(=O)(=O)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000563849363 651545860 /nfs/dbraw/zinc/54/58/60/651545860.db2.gz JWPXZBCXRBBSGA-HNNXBMFYSA-N 1 2 387.933 2.161 20 0 GEADLO O=C(NCc1n[nH]cc1Br)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000606506570 651557342 /nfs/dbraw/zinc/55/73/42/651557342.db2.gz LGHUHFJDYLQGEX-UHFFFAOYSA-N 1 2 375.230 2.357 20 0 GEADLO CCN(C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C1COC1 ZINC000564710542 651576433 /nfs/dbraw/zinc/57/64/33/651576433.db2.gz FLROMLGCCFYMHN-UHFFFAOYSA-N 1 2 381.274 2.378 20 0 GEADLO COc1cc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)c(Br)cc1O ZINC000645453107 651605779 /nfs/dbraw/zinc/60/57/79/651605779.db2.gz BYIFNXJXLMBQBI-NSHDSACASA-N 1 2 395.257 2.174 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=S)Nc2ccc(Cl)cc2)CC1 ZINC000731568960 651628733 /nfs/dbraw/zinc/62/87/33/651628733.db2.gz HKVCMRINWUXRGI-UHFFFAOYSA-N 1 2 375.947 2.135 20 0 GEADLO Cc1ccc(CCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1Cl ZINC000731649689 651630534 /nfs/dbraw/zinc/63/05/34/651630534.db2.gz VEGMOVIRDKVIKD-UHFFFAOYSA-N 1 2 386.945 2.206 20 0 GEADLO CO[C@H](CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000645632877 651632064 /nfs/dbraw/zinc/63/20/64/651632064.db2.gz SLFGZWVXGJNDTO-ZACQAIPSSA-N 1 2 376.469 2.300 20 0 GEADLO CO[C@H](CS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000645632877 651632067 /nfs/dbraw/zinc/63/20/67/651632067.db2.gz SLFGZWVXGJNDTO-ZACQAIPSSA-N 1 2 376.469 2.300 20 0 GEADLO CN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000732161125 651646826 /nfs/dbraw/zinc/64/68/26/651646826.db2.gz VCNHTIJUDQCOSD-CQSZACIVSA-N 1 2 376.400 2.146 20 0 GEADLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000732186081 651647267 /nfs/dbraw/zinc/64/72/67/651647267.db2.gz FCTQJJZEQHPJDH-CYBMUJFWSA-N 1 2 394.269 2.401 20 0 GEADLO O=C1CCCN1[C@@H]1CCC[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000732186081 651647270 /nfs/dbraw/zinc/64/72/70/651647270.db2.gz FCTQJJZEQHPJDH-CYBMUJFWSA-N 1 2 394.269 2.401 20 0 GEADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000732186085 651647324 /nfs/dbraw/zinc/64/73/24/651647324.db2.gz FCTQJJZEQHPJDH-ZDUSSCGKSA-N 1 2 394.269 2.401 20 0 GEADLO O=C1CCCN1[C@H]1CCC[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000732186085 651647331 /nfs/dbraw/zinc/64/73/31/651647331.db2.gz FCTQJJZEQHPJDH-ZDUSSCGKSA-N 1 2 394.269 2.401 20 0 GEADLO COCCNc1nn(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(=S)s1 ZINC000732190550 651647924 /nfs/dbraw/zinc/64/79/24/651647924.db2.gz JRKWSHPUJFQNDJ-ZDUSSCGKSA-N 1 2 385.559 2.024 20 0 GEADLO COCCNc1nn(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(=S)s1 ZINC000732190550 651647925 /nfs/dbraw/zinc/64/79/25/651647925.db2.gz JRKWSHPUJFQNDJ-ZDUSSCGKSA-N 1 2 385.559 2.024 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc(Br)cc1F ZINC000732462000 651658435 /nfs/dbraw/zinc/65/84/35/651658435.db2.gz PLYXBMITOVUWSD-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc(Br)cc1F ZINC000732462000 651658443 /nfs/dbraw/zinc/65/84/43/651658443.db2.gz PLYXBMITOVUWSD-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO O=C(Nc1cc(I)ccc1O)[C@H]1CCn2cc[nH+]c2C1 ZINC000610987196 651696559 /nfs/dbraw/zinc/69/65/59/651696559.db2.gz XJYUJISWJTXQAH-VIFPVBQESA-N 1 2 383.189 2.394 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)S(=O)(=O)c2cccc(Cl)c2)cn1 ZINC000569227755 651703630 /nfs/dbraw/zinc/70/36/30/651703630.db2.gz VQFDWWPQPIBYBC-UHFFFAOYSA-N 1 2 379.873 2.161 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000569442109 651713522 /nfs/dbraw/zinc/71/35/22/651713522.db2.gz CCKAMYJTFGKDFU-VIFPVBQESA-N 1 2 379.766 2.340 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000569442109 651713533 /nfs/dbraw/zinc/71/35/33/651713533.db2.gz CCKAMYJTFGKDFU-VIFPVBQESA-N 1 2 379.766 2.340 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000569802221 651725438 /nfs/dbraw/zinc/72/54/38/651725438.db2.gz QWIDDALBLICGEM-WQVCFCJDSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000569802221 651725440 /nfs/dbraw/zinc/72/54/40/651725440.db2.gz QWIDDALBLICGEM-WQVCFCJDSA-N 1 2 383.286 2.196 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000647312359 651743383 /nfs/dbraw/zinc/74/33/83/651743383.db2.gz OVZVYFDKRIDIHW-AWEZNQCLSA-N 1 2 395.294 2.088 20 0 GEADLO C[C@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@H]1C[N@H+](C)CCO1 ZINC000612669068 651764637 /nfs/dbraw/zinc/76/46/37/651764637.db2.gz DWQDPISEVPSIRT-NKWVEPMBSA-N 1 2 399.182 2.454 20 0 GEADLO C[C@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@H]1C[N@@H+](C)CCO1 ZINC000612669068 651764640 /nfs/dbraw/zinc/76/46/40/651764640.db2.gz DWQDPISEVPSIRT-NKWVEPMBSA-N 1 2 399.182 2.454 20 0 GEADLO O=C(CS(=O)(=O)Cc1ccc(Cl)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000612740343 651767926 /nfs/dbraw/zinc/76/79/26/651767926.db2.gz ZUBMTASQOOVGQB-UHFFFAOYSA-N 1 2 399.925 2.060 20 0 GEADLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000612795561 651770497 /nfs/dbraw/zinc/77/04/97/651770497.db2.gz ACSSJOVBTWZQMH-JMSVASOKSA-N 1 2 379.869 2.164 20 0 GEADLO C[N@H+](CCN1CCCS1(=O)=O)Cc1cnc(CCc2ccccc2)s1 ZINC000648381235 651786085 /nfs/dbraw/zinc/78/60/85/651786085.db2.gz FJRUVVBELKSYJK-UHFFFAOYSA-N 1 2 379.551 2.396 20 0 GEADLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cnc(CCc2ccccc2)s1 ZINC000648381235 651786090 /nfs/dbraw/zinc/78/60/90/651786090.db2.gz FJRUVVBELKSYJK-UHFFFAOYSA-N 1 2 379.551 2.396 20 0 GEADLO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Br)c(F)cc1O ZINC000649140734 651817655 /nfs/dbraw/zinc/81/76/55/651817655.db2.gz PKNIZWVLMDCSMK-NSHDSACASA-N 1 2 387.249 2.277 20 0 GEADLO Cc1ccncc1S(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000571274701 651821931 /nfs/dbraw/zinc/82/19/31/651821931.db2.gz NPSYSTCOBQRHQD-QGZVFWFLSA-N 1 2 377.535 2.286 20 0 GEADLO Cc1ccncc1S(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000571274701 651821934 /nfs/dbraw/zinc/82/19/34/651821934.db2.gz NPSYSTCOBQRHQD-QGZVFWFLSA-N 1 2 377.535 2.286 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000571284356 651823164 /nfs/dbraw/zinc/82/31/64/651823164.db2.gz SUJWJEAUYGCJDQ-GFCCVEGCSA-N 1 2 385.686 2.425 20 0 GEADLO C[C@@H](CC(N)=O)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000614440841 651827948 /nfs/dbraw/zinc/82/79/48/651827948.db2.gz RIVMLHXJOJQBDR-ZDUSSCGKSA-N 1 2 393.285 2.186 20 0 GEADLO O=C(NCc1nc2c(cccc2Br)[nH]1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000571404371 651830924 /nfs/dbraw/zinc/83/09/24/651830924.db2.gz YKWYNTOQBXXNSF-SNVBAGLBSA-N 1 2 389.257 2.336 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1nn(C(C)(C)C)cc1Br ZINC000614718188 651834365 /nfs/dbraw/zinc/83/43/65/651834365.db2.gz QIEKFKIVJFKWNB-QWHCGFSZSA-N 1 2 399.333 2.336 20 0 GEADLO CC1(C)CN(C(=O)CSCC(=O)c2ccc(Cl)cc2)CC[N@@H+]1CCO ZINC000614894878 651844034 /nfs/dbraw/zinc/84/40/34/651844034.db2.gz LHFNWPJUDLMVGN-UHFFFAOYSA-N 1 2 384.929 2.171 20 0 GEADLO CC1(C)CN(C(=O)CSCC(=O)c2ccc(Cl)cc2)CC[N@H+]1CCO ZINC000614894878 651844036 /nfs/dbraw/zinc/84/40/36/651844036.db2.gz LHFNWPJUDLMVGN-UHFFFAOYSA-N 1 2 384.929 2.171 20 0 GEADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615126912 651849974 /nfs/dbraw/zinc/84/99/74/651849974.db2.gz NEMHEPKKPJNZGP-DOMZBBRYSA-N 1 2 391.269 2.283 20 0 GEADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615127342 651850384 /nfs/dbraw/zinc/85/03/84/651850384.db2.gz QNUGOQVKYYZLSO-OCCSQVGLSA-N 1 2 391.269 2.283 20 0 GEADLO [NH3+][C@H](C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)c1cscn1 ZINC000571915497 651861444 /nfs/dbraw/zinc/86/14/44/651861444.db2.gz IIAKCZDYTABINF-HZMBPMFUSA-N 1 2 379.873 2.069 20 0 GEADLO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615536364 651866319 /nfs/dbraw/zinc/86/63/19/651866319.db2.gz UVUXQBPCJKWDGR-ZDUSSCGKSA-N 1 2 393.285 2.262 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1Br ZINC000615547924 651867297 /nfs/dbraw/zinc/86/72/97/651867297.db2.gz MPYCNMPONXSSDZ-GFCCVEGCSA-N 1 2 385.306 2.232 20 0 GEADLO C[N@H+](C[C@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000738060198 651878025 /nfs/dbraw/zinc/87/80/25/651878025.db2.gz APPONOMPRYWTEL-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO C[N@@H+](C[C@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000738060198 651878030 /nfs/dbraw/zinc/87/80/30/651878030.db2.gz APPONOMPRYWTEL-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000651647786 651892845 /nfs/dbraw/zinc/89/28/45/651892845.db2.gz JDOVROLHJXAAQR-ZDUSSCGKSA-N 1 2 392.257 2.151 20 0 GEADLO CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000738391463 651895433 /nfs/dbraw/zinc/89/54/33/651895433.db2.gz JDBJYOBFOAIFFO-UHFFFAOYSA-N 1 2 378.431 2.044 20 0 GEADLO O=C(NCc1n[nH]cc1Br)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000738462612 651895969 /nfs/dbraw/zinc/89/59/69/651895969.db2.gz XOEWGMHJEGRMCE-UHFFFAOYSA-N 1 2 375.230 2.357 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000651888918 651898874 /nfs/dbraw/zinc/89/88/74/651898874.db2.gz BTTVRGOYQARLKL-UHFFFAOYSA-N 1 2 381.885 2.135 20 0 GEADLO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](N4CCOCC4)C3)o2)o1 ZINC000572540009 651898823 /nfs/dbraw/zinc/89/88/23/651898823.db2.gz RJAZQLWEXWGAPB-GFCCVEGCSA-N 1 2 397.273 2.389 20 0 GEADLO Brc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](N4CCOCC4)C3)o2)o1 ZINC000572540009 651898829 /nfs/dbraw/zinc/89/88/29/651898829.db2.gz RJAZQLWEXWGAPB-GFCCVEGCSA-N 1 2 397.273 2.389 20 0 GEADLO Brc1ccc(-c2nnc(CN3CCC[C@@H]([NH+]4CCOCC4)C3)o2)o1 ZINC000572540009 651898832 /nfs/dbraw/zinc/89/88/32/651898832.db2.gz RJAZQLWEXWGAPB-GFCCVEGCSA-N 1 2 397.273 2.389 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(OC)c2)C(C)(C)C1 ZINC000651900561 651899771 /nfs/dbraw/zinc/89/97/71/651899771.db2.gz XLFJLMGYUFYIBY-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(OC)c2)C(C)(C)C1 ZINC000651900561 651899776 /nfs/dbraw/zinc/89/97/76/651899776.db2.gz XLFJLMGYUFYIBY-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc3nc(C)sc3c2)C(C)(C)C1 ZINC000651900488 651899793 /nfs/dbraw/zinc/89/97/93/651899793.db2.gz UEINZPSWCMNMNK-UHFFFAOYSA-N 1 2 383.539 2.336 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc3nc(C)sc3c2)C(C)(C)C1 ZINC000651900488 651899795 /nfs/dbraw/zinc/89/97/95/651899795.db2.gz UEINZPSWCMNMNK-UHFFFAOYSA-N 1 2 383.539 2.336 20 0 GEADLO C[C@@H](C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000652747253 651922415 /nfs/dbraw/zinc/92/24/15/651922415.db2.gz QSSSKOHGWLYXLH-AWEZNQCLSA-N 1 2 385.339 2.278 20 0 GEADLO C[N@H+](CCS(N)(=O)=O)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000740873653 651927917 /nfs/dbraw/zinc/92/79/17/651927917.db2.gz RQCCEJKDWYXXTB-UHFFFAOYSA-N 1 2 376.507 2.321 20 0 GEADLO C[N@@H+](CCS(N)(=O)=O)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000740873653 651927922 /nfs/dbraw/zinc/92/79/22/651927922.db2.gz RQCCEJKDWYXXTB-UHFFFAOYSA-N 1 2 376.507 2.321 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000652999891 651932083 /nfs/dbraw/zinc/93/20/83/651932083.db2.gz NYRKLKUNSKBWPE-UHFFFAOYSA-N 1 2 391.295 2.179 20 0 GEADLO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)CCO1 ZINC000741253150 651942857 /nfs/dbraw/zinc/94/28/57/651942857.db2.gz ZPJVPESKIKDVMS-AWEZNQCLSA-N 1 2 385.258 2.042 20 0 GEADLO CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)CCO1 ZINC000741253150 651942867 /nfs/dbraw/zinc/94/28/67/651942867.db2.gz ZPJVPESKIKDVMS-AWEZNQCLSA-N 1 2 385.258 2.042 20 0 GEADLO CO[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccccc1Br ZINC000653823326 651956773 /nfs/dbraw/zinc/95/67/73/651956773.db2.gz BSAPGKRUNHHCQY-VBQJREDUSA-N 1 2 397.313 2.458 20 0 GEADLO C[C@@H]1CCc2c(sc3ncnc(N4CC[NH+](CC[S@](C)=O)CC4)c23)C1 ZINC000741750700 651957724 /nfs/dbraw/zinc/95/77/24/651957724.db2.gz YDFFUSZSZPSXQB-SHZVTRLKSA-N 1 2 378.567 2.317 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617721213 651966261 /nfs/dbraw/zinc/96/62/61/651966261.db2.gz MOZZNMIINGOBNS-WDEREUQCSA-N 1 2 389.265 2.436 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617721213 651966270 /nfs/dbraw/zinc/96/62/70/651966270.db2.gz MOZZNMIINGOBNS-WDEREUQCSA-N 1 2 389.265 2.436 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000617722768 651967461 /nfs/dbraw/zinc/96/74/61/651967461.db2.gz DQYMHYMLEYJKCD-OLZOCXBDSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000617722768 651967464 /nfs/dbraw/zinc/96/74/64/651967464.db2.gz DQYMHYMLEYJKCD-OLZOCXBDSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2[nH]nc3ccc(Br)cc32)[C@H](C)CO1 ZINC000617732333 651968434 /nfs/dbraw/zinc/96/84/34/651968434.db2.gz DJIZXCMGMRDCGI-GHMZBOCLSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2[nH]nc3ccc(Br)cc32)[C@H](C)CO1 ZINC000617732333 651968437 /nfs/dbraw/zinc/96/84/37/651968437.db2.gz DJIZXCMGMRDCGI-GHMZBOCLSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@@H]1CN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000742198140 651968517 /nfs/dbraw/zinc/96/85/17/651968517.db2.gz ZPNFYLQILMVNCC-DMZKTXOQSA-N 1 2 387.343 2.499 20 0 GEADLO C[C@@H]1CN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000742198140 651968521 /nfs/dbraw/zinc/96/85/21/651968521.db2.gz ZPNFYLQILMVNCC-DMZKTXOQSA-N 1 2 387.343 2.499 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617733185 651969186 /nfs/dbraw/zinc/96/91/86/651969186.db2.gz OBMSQZDVTAKXFZ-MJBXVCDLSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617733185 651969191 /nfs/dbraw/zinc/96/91/91/651969191.db2.gz OBMSQZDVTAKXFZ-MJBXVCDLSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000617743405 651969581 /nfs/dbraw/zinc/96/95/81/651969581.db2.gz JEXJTCMGGLOOGB-NEPJUHHUSA-N 1 2 377.432 2.418 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000617743405 651969584 /nfs/dbraw/zinc/96/95/84/651969584.db2.gz JEXJTCMGGLOOGB-NEPJUHHUSA-N 1 2 377.432 2.418 20 0 GEADLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccccc1 ZINC000742341160 651984349 /nfs/dbraw/zinc/98/43/49/651984349.db2.gz MIBXHLFGDQRBSC-CYBMUJFWSA-N 1 2 379.873 2.069 20 0 GEADLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000573980803 651993330 /nfs/dbraw/zinc/99/33/30/651993330.db2.gz SWSXVJCPOIOKDH-CQSZACIVSA-N 1 2 380.286 2.012 20 0 GEADLO CN(C[C@H]1COCCO1)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000618228251 651998832 /nfs/dbraw/zinc/99/88/32/651998832.db2.gz FSIGGEWSSATQBN-IRXDYDNUSA-N 1 2 397.313 2.460 20 0 GEADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1nn(C)cc1Br)C2 ZINC000574130165 652002899 /nfs/dbraw/zinc/00/28/99/652002899.db2.gz PACARCLQINFGHM-JTQLQIEISA-N 1 2 380.290 2.450 20 0 GEADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1nn(C)cc1Br)CC2 ZINC000574130165 652002906 /nfs/dbraw/zinc/00/29/06/652002906.db2.gz PACARCLQINFGHM-JTQLQIEISA-N 1 2 380.290 2.450 20 0 GEADLO C[C@H](CNS(=O)(=O)Cc1ccc(Cl)c(F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655638926 652002871 /nfs/dbraw/zinc/00/28/71/652002871.db2.gz KBKDZZGHUSBDNE-UPJWGTAASA-N 1 2 378.897 2.396 20 0 GEADLO C[C@H](CNS(=O)(=O)Cc1ccc(Cl)c(F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655638926 652002879 /nfs/dbraw/zinc/00/28/79/652002879.db2.gz KBKDZZGHUSBDNE-UPJWGTAASA-N 1 2 378.897 2.396 20 0 GEADLO NC(=O)c1ccc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC000574136994 652003193 /nfs/dbraw/zinc/00/31/93/652003193.db2.gz BYTASOPJKROAAD-CQSZACIVSA-N 1 2 375.519 2.194 20 0 GEADLO NC(=O)c1ccc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC000574136994 652003196 /nfs/dbraw/zinc/00/31/96/652003196.db2.gz BYTASOPJKROAAD-CQSZACIVSA-N 1 2 375.519 2.194 20 0 GEADLO Cc1cc(Br)cn2c(CNCc3nnn(C(C)(C)C)n3)c[nH+]c12 ZINC000655832251 652013067 /nfs/dbraw/zinc/01/30/67/652013067.db2.gz SSGJLKWSFNWJAO-UHFFFAOYSA-N 1 2 378.278 2.437 20 0 GEADLO Cc1nn(-c2ccccc2Cl)cc1C[N@H+](C)CCN1CCCS1(=O)=O ZINC000656256437 652029306 /nfs/dbraw/zinc/02/93/06/652029306.db2.gz VJGGBANYBZQPAY-UHFFFAOYSA-N 1 2 382.917 2.301 20 0 GEADLO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000656256437 652029310 /nfs/dbraw/zinc/02/93/10/652029310.db2.gz VJGGBANYBZQPAY-UHFFFAOYSA-N 1 2 382.917 2.301 20 0 GEADLO CO[C@@H](CS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCOC1 ZINC000656728149 652051058 /nfs/dbraw/zinc/05/10/58/652051058.db2.gz KVPQJLJYBOIQSY-LRDDRELGSA-N 1 2 385.873 2.319 20 0 GEADLO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(S(=O)(=O)NC3CC3)c(Cl)cc2F)C1 ZINC000574926240 652053212 /nfs/dbraw/zinc/05/32/12/652053212.db2.gz XTIAJDZWNDYDHH-SNVBAGLBSA-N 1 2 389.880 2.200 20 0 GEADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(S(=O)(=O)NC3CC3)c(Cl)cc2F)C1 ZINC000574926240 652053214 /nfs/dbraw/zinc/05/32/14/652053214.db2.gz XTIAJDZWNDYDHH-SNVBAGLBSA-N 1 2 389.880 2.200 20 0 GEADLO C[C@H](NCc1c(F)ccc(I)c1F)[C@@H]1C[N@H+](C)CCO1 ZINC000619427697 652058214 /nfs/dbraw/zinc/05/82/14/652058214.db2.gz AEWQEUCXKWHXDJ-ZANVPECISA-N 1 2 396.219 2.378 20 0 GEADLO C[C@H](NCc1c(F)ccc(I)c1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000619427697 652058219 /nfs/dbraw/zinc/05/82/19/652058219.db2.gz AEWQEUCXKWHXDJ-ZANVPECISA-N 1 2 396.219 2.378 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000657028092 652090878 /nfs/dbraw/zinc/09/08/78/652090878.db2.gz ATQIYDRSDMPVAW-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000657028092 652090885 /nfs/dbraw/zinc/09/08/85/652090885.db2.gz ATQIYDRSDMPVAW-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000746324693 652099767 /nfs/dbraw/zinc/09/97/67/652099767.db2.gz OOTUHEFRRGYYRL-UHFFFAOYSA-N 1 2 379.249 2.224 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000746324693 652099773 /nfs/dbraw/zinc/09/97/73/652099773.db2.gz OOTUHEFRRGYYRL-UHFFFAOYSA-N 1 2 379.249 2.224 20 0 GEADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746470784 652108914 /nfs/dbraw/zinc/10/89/14/652108914.db2.gz XMJIJULTIUIPKN-SHZVTRLKSA-N 1 2 382.917 2.447 20 0 GEADLO CNc1cc(I)ccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000576365860 652111357 /nfs/dbraw/zinc/11/13/57/652111357.db2.gz NZIDAPXYFKIBGR-UHFFFAOYSA-N 1 2 382.205 2.227 20 0 GEADLO O=C(CSc1n[nH]c(=S)s1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000747350853 652158933 /nfs/dbraw/zinc/15/89/33/652158933.db2.gz UKFCGFJILOQYFS-UHFFFAOYSA-N 1 2 396.563 2.068 20 0 GEADLO CC(C)(C(=O)N1CCN(c2ccc(Br)cn2)CC1)c1c[nH+]c[nH]1 ZINC000621563734 652161260 /nfs/dbraw/zinc/16/12/60/652161260.db2.gz NIBGYEVQGGIDEH-UHFFFAOYSA-N 1 2 378.274 2.194 20 0 GEADLO O=S1(=O)CCC(O)(C[NH2+]CC(F)(F)c2ccc(Br)cc2)CC1 ZINC000622017535 652175629 /nfs/dbraw/zinc/17/56/29/652175629.db2.gz VIRHTEXDIKSUAX-UHFFFAOYSA-N 1 2 398.269 2.070 20 0 GEADLO COC(=O)c1nn(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(C)c1Br ZINC000747833637 652181470 /nfs/dbraw/zinc/18/14/70/652181470.db2.gz YLNMNYHALDNBLD-QWHCGFSZSA-N 1 2 386.290 2.447 20 0 GEADLO COC(=O)c1nn(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(C)c1Br ZINC000747833637 652181479 /nfs/dbraw/zinc/18/14/79/652181479.db2.gz YLNMNYHALDNBLD-QWHCGFSZSA-N 1 2 386.290 2.447 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cccc(Br)c1F ZINC000657740669 652200383 /nfs/dbraw/zinc/20/03/83/652200383.db2.gz DNPDAIYSHBWCRJ-UHFFFAOYSA-N 1 2 383.221 2.272 20 0 GEADLO COCc1n[nH]c(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)n1 ZINC000658161540 652240836 /nfs/dbraw/zinc/24/08/36/652240836.db2.gz MPBMWRQMFAMKPE-JTQLQIEISA-N 1 2 382.262 2.221 20 0 GEADLO C[C@@H]1CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@@H](C)C1(F)F ZINC000623492691 652241577 /nfs/dbraw/zinc/24/15/77/652241577.db2.gz GWBVFMXNNFLSEE-FMKPAKJESA-N 1 2 377.501 2.127 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1cc(F)c(Br)cc1F ZINC000623726287 652257068 /nfs/dbraw/zinc/25/70/68/652257068.db2.gz IYAQTWHNHQZKGP-JTQLQIEISA-N 1 2 392.244 2.247 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1cc(F)c(Br)cc1F ZINC000623726287 652257076 /nfs/dbraw/zinc/25/70/76/652257076.db2.gz IYAQTWHNHQZKGP-JTQLQIEISA-N 1 2 392.244 2.247 20 0 GEADLO COCCOC[C@@H]1CC[N@H+](Cn2c3cc(Br)ccc3oc2=O)C1 ZINC000749962417 652275510 /nfs/dbraw/zinc/27/55/10/652275510.db2.gz WLTLRNRAPCBHFC-GFCCVEGCSA-N 1 2 385.258 2.299 20 0 GEADLO COCCOC[C@@H]1CC[N@@H+](Cn2c3cc(Br)ccc3oc2=O)C1 ZINC000749962417 652275520 /nfs/dbraw/zinc/27/55/20/652275520.db2.gz WLTLRNRAPCBHFC-GFCCVEGCSA-N 1 2 385.258 2.299 20 0 GEADLO O=C(NCC[NH+]1CCSCC1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000578563574 652278119 /nfs/dbraw/zinc/27/81/19/652278119.db2.gz IQEUFQODOOKWPX-UHFFFAOYSA-N 1 2 397.338 2.215 20 0 GEADLO O=S(=O)(C1CC[NH+](Cc2ccncc2Br)CC1)N1CCCC1 ZINC000625398055 652347164 /nfs/dbraw/zinc/34/71/64/652347164.db2.gz FZGRAFBNIQKHNS-UHFFFAOYSA-N 1 2 388.331 2.234 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000625508570 652350661 /nfs/dbraw/zinc/35/06/61/652350661.db2.gz BVGGDZPTUAPQSM-AWEZNQCLSA-N 1 2 381.757 2.418 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000625508570 652350664 /nfs/dbraw/zinc/35/06/64/652350664.db2.gz BVGGDZPTUAPQSM-AWEZNQCLSA-N 1 2 381.757 2.418 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC([NH+]2CCOCC2)CC1 ZINC000625607974 652361468 /nfs/dbraw/zinc/36/14/68/652361468.db2.gz VBYLYUPIBIXXOE-UHFFFAOYSA-N 1 2 379.309 2.479 20 0 GEADLO O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000659827981 652367004 /nfs/dbraw/zinc/36/70/04/652367004.db2.gz ZXYNXAYHZIVOCX-BMFZPTHFSA-N 1 2 393.329 2.413 20 0 GEADLO C[N@H+](Cc1coc(S(N)(=O)=O)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000659854631 652367885 /nfs/dbraw/zinc/36/78/85/652367885.db2.gz XKVHHGHUSZNIIR-DZGCQCFKSA-N 1 2 391.276 2.324 20 0 GEADLO C[N@@H+](Cc1coc(S(N)(=O)=O)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000659854631 652367890 /nfs/dbraw/zinc/36/78/90/652367890.db2.gz XKVHHGHUSZNIIR-DZGCQCFKSA-N 1 2 391.276 2.324 20 0 GEADLO Cc1nc(C[NH+]2CCC(NS(N)(=O)=O)CC2)oc1-c1ccc(Cl)cc1 ZINC000626034897 652380461 /nfs/dbraw/zinc/38/04/61/652380461.db2.gz UGKFNTURKKBGDM-UHFFFAOYSA-N 1 2 384.889 2.061 20 0 GEADLO Cn1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)n1 ZINC000580642694 652386704 /nfs/dbraw/zinc/38/67/04/652386704.db2.gz GXDIXNZUAIUVJI-INIZCTEOSA-N 1 2 382.917 2.407 20 0 GEADLO Cn1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)n1 ZINC000580642694 652386707 /nfs/dbraw/zinc/38/67/07/652386707.db2.gz GXDIXNZUAIUVJI-INIZCTEOSA-N 1 2 382.917 2.407 20 0 GEADLO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2CCOC[C@@H](O)C2)C1=O ZINC000581410711 652411654 /nfs/dbraw/zinc/41/16/54/652411654.db2.gz IRRUJQXVSAMAHI-HOTGVXAUSA-N 1 2 397.313 2.254 20 0 GEADLO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@H+]2CCOC[C@@H](O)C2)C1=O ZINC000581410711 652411658 /nfs/dbraw/zinc/41/16/58/652411658.db2.gz IRRUJQXVSAMAHI-HOTGVXAUSA-N 1 2 397.313 2.254 20 0 GEADLO CCN(CCS(C)(=O)=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000753646443 652412456 /nfs/dbraw/zinc/41/24/56/652412456.db2.gz BQWDLUFXUDMJMN-OAHLLOKOSA-N 1 2 375.922 2.019 20 0 GEADLO COc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)ccc1Br ZINC000627155319 652416330 /nfs/dbraw/zinc/41/63/30/652416330.db2.gz SCYJRMKGRHXIKC-TZMCWYRMSA-N 1 2 383.286 2.393 20 0 GEADLO C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000661085159 652419165 /nfs/dbraw/zinc/41/91/65/652419165.db2.gz HXBLIEZOQZUZSY-GHMZBOCLSA-N 1 2 378.420 2.339 20 0 GEADLO C[C@@H]1COCC[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000753988619 652422458 /nfs/dbraw/zinc/42/24/58/652422458.db2.gz YKGDLJLUOXSAQW-YVEFUNNKSA-N 1 2 396.285 2.142 20 0 GEADLO C[C@@H]1COCC[N@@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000753988619 652422462 /nfs/dbraw/zinc/42/24/62/652422462.db2.gz YKGDLJLUOXSAQW-YVEFUNNKSA-N 1 2 396.285 2.142 20 0 GEADLO Cc1cc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000661302730 652426173 /nfs/dbraw/zinc/42/61/73/652426173.db2.gz AAXGVWKHEAHWII-HNNXBMFYSA-N 1 2 382.302 2.374 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N2CCOc3cc(Br)ccc3C2)c1 ZINC000661303244 652426433 /nfs/dbraw/zinc/42/64/33/652426433.db2.gz HZGQQNWYAAFYKD-UHFFFAOYSA-N 1 2 379.258 2.329 20 0 GEADLO CSc1ccc([C@@H](CNC(=O)c2ccc(S(C)(=O)=O)o2)[NH+](C)C)cc1 ZINC000581966198 652429432 /nfs/dbraw/zinc/42/94/32/652429432.db2.gz QTQZAHGBCBPFOR-CQSZACIVSA-N 1 2 382.507 2.438 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cc[n+]([O-])cc3)[nH+]c12 ZINC000754512523 652437841 /nfs/dbraw/zinc/43/78/41/652437841.db2.gz BXUPJEUGSKRZPR-UHFFFAOYSA-N 1 2 375.226 2.011 20 0 GEADLO Cn1c[nH+]cc1COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000754682940 652442612 /nfs/dbraw/zinc/44/26/12/652442612.db2.gz FKRDJODMFXSBHB-UHFFFAOYSA-N 1 2 383.857 2.215 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000662011168 652444903 /nfs/dbraw/zinc/44/49/03/652444903.db2.gz AMBLGSUXSQOPOW-LBPRGKRZSA-N 1 2 384.274 2.366 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000662011168 652444907 /nfs/dbraw/zinc/44/49/07/652444907.db2.gz AMBLGSUXSQOPOW-LBPRGKRZSA-N 1 2 384.274 2.366 20 0 GEADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cn1 ZINC000582466395 652451543 /nfs/dbraw/zinc/45/15/43/652451543.db2.gz MIJRYSHDHFFCCW-QGZVFWFLSA-N 1 2 377.535 2.286 20 0 GEADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cn1 ZINC000582466395 652451545 /nfs/dbraw/zinc/45/15/45/652451545.db2.gz MIJRYSHDHFFCCW-QGZVFWFLSA-N 1 2 377.535 2.286 20 0 GEADLO COc1cncc(/C=C\CC[N@@H+]2CCc3sc(S(N)(=O)=O)cc3C2)c1 ZINC000662228082 652453959 /nfs/dbraw/zinc/45/39/59/652453959.db2.gz ZOWDGJAWMLAIIV-RQOWECAXSA-N 1 2 379.507 2.261 20 0 GEADLO COc1cncc(/C=C\CC[N@H+]2CCc3sc(S(N)(=O)=O)cc3C2)c1 ZINC000662228082 652453962 /nfs/dbraw/zinc/45/39/62/652453962.db2.gz ZOWDGJAWMLAIIV-RQOWECAXSA-N 1 2 379.507 2.261 20 0 GEADLO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000582948696 652468171 /nfs/dbraw/zinc/46/81/71/652468171.db2.gz JFGHQXKRMZLRAM-QGZVFWFLSA-N 1 2 378.881 2.287 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755951017 652481936 /nfs/dbraw/zinc/48/19/36/652481936.db2.gz ZIRMBQXTKYFNSV-MCFWBGNESA-N 1 2 392.352 2.317 20 0 GEADLO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000756106642 652488462 /nfs/dbraw/zinc/48/84/62/652488462.db2.gz QDQANSFTYRBENR-CYBMUJFWSA-N 1 2 376.258 2.364 20 0 GEADLO O=C([C@H]1CCn2c[nH+]cc2C1)N(CCO)Cc1ccc(Br)s1 ZINC000583599831 652490986 /nfs/dbraw/zinc/49/09/86/652490986.db2.gz JCHFAWVMWVHERH-NSHDSACASA-N 1 2 384.299 2.291 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@H](O)c3cccnc3)[nH+]c12 ZINC000756330764 652496434 /nfs/dbraw/zinc/49/64/34/652496434.db2.gz PWLHUIOTRJYFFS-OAHLLOKOSA-N 1 2 389.253 2.193 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000663673335 652507948 /nfs/dbraw/zinc/50/79/48/652507948.db2.gz ZWVJJXSWGGLOTN-NEPJUHHUSA-N 1 2 390.315 2.209 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000663673335 652507951 /nfs/dbraw/zinc/50/79/51/652507951.db2.gz ZWVJJXSWGGLOTN-NEPJUHHUSA-N 1 2 390.315 2.209 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1cc(Br)cs1 ZINC000663703255 652509305 /nfs/dbraw/zinc/50/93/05/652509305.db2.gz GVZKKSFVZKHPNA-MNOVXSKESA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1cc(Br)cs1 ZINC000663703255 652509307 /nfs/dbraw/zinc/50/93/07/652509307.db2.gz GVZKKSFVZKHPNA-MNOVXSKESA-N 1 2 376.320 2.419 20 0 GEADLO Cc1c(NC[C@@](C)(O)C(F)(F)F)nc[nH+]c1NC[C@@](C)(O)C(F)(F)F ZINC000663753468 652510761 /nfs/dbraw/zinc/51/07/61/652510761.db2.gz JVKODANPKIQNEH-GHMZBOCLSA-N 1 2 376.301 2.235 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc(F)ccc2Br)[C@H](C)CO1 ZINC000663755234 652511134 /nfs/dbraw/zinc/51/11/34/652511134.db2.gz LEHYGSZTBDBZJG-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(F)ccc2Br)[C@H](C)CO1 ZINC000663755234 652511135 /nfs/dbraw/zinc/51/11/35/652511135.db2.gz LEHYGSZTBDBZJG-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccccc2Br)[C@@H](C)CO1 ZINC000663870766 652514266 /nfs/dbraw/zinc/51/42/66/652514266.db2.gz IZMHWUIACHYTMS-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccccc2Br)[C@@H](C)CO1 ZINC000663870766 652514269 /nfs/dbraw/zinc/51/42/69/652514269.db2.gz IZMHWUIACHYTMS-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO Brc1cc(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)cc2c1OCO2 ZINC000631053488 652519226 /nfs/dbraw/zinc/51/92/26/652519226.db2.gz XBQOKIRKUAYAFO-LLVKDONJSA-N 1 2 395.257 2.096 20 0 GEADLO Brc1cnnc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000664189570 652523003 /nfs/dbraw/zinc/52/30/03/652523003.db2.gz HVFUZOCXORZRPQ-CVEARBPZSA-N 1 2 375.270 2.329 20 0 GEADLO Brc1cnnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000664189570 652523006 /nfs/dbraw/zinc/52/30/06/652523006.db2.gz HVFUZOCXORZRPQ-CVEARBPZSA-N 1 2 375.270 2.329 20 0 GEADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cccnc1I ZINC000757913201 652525123 /nfs/dbraw/zinc/52/51/23/652525123.db2.gz IHYXTLTZYSJIRR-UHFFFAOYSA-N 1 2 393.228 2.432 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000664471406 652528874 /nfs/dbraw/zinc/52/88/74/652528874.db2.gz QVCCQIYLHLYQMP-NEPJUHHUSA-N 1 2 386.290 2.063 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000664471406 652528875 /nfs/dbraw/zinc/52/88/75/652528875.db2.gz QVCCQIYLHLYQMP-NEPJUHHUSA-N 1 2 386.290 2.063 20 0 GEADLO C[C@H](O)CNc1cc(N2CCOc3cc(Br)ccc3C2)nc[nH+]1 ZINC000664621842 652532906 /nfs/dbraw/zinc/53/29/06/652532906.db2.gz UKMBYWHEOWQRSW-NSHDSACASA-N 1 2 379.258 2.431 20 0 GEADLO C[C@H](O)CNc1cc(N2CCOc3cc(Br)ccc3C2)[nH+]cn1 ZINC000664621842 652532907 /nfs/dbraw/zinc/53/29/07/652532907.db2.gz UKMBYWHEOWQRSW-NSHDSACASA-N 1 2 379.258 2.431 20 0 GEADLO COc1cc(C(N)=[NH+]OCCCS(=O)(=O)C(C)C)ccc1OC(F)F ZINC000758410402 652540329 /nfs/dbraw/zinc/54/03/29/652540329.db2.gz JGCUNVQMQITMIK-UHFFFAOYSA-N 1 2 380.413 2.356 20 0 GEADLO CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000586805147 652542081 /nfs/dbraw/zinc/54/20/81/652542081.db2.gz COGZRGXDSNCMKW-HNNXBMFYSA-N 1 2 382.873 2.278 20 0 GEADLO O=C(Cc1cccc(I)c1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587044877 652544197 /nfs/dbraw/zinc/54/41/97/652544197.db2.gz AOCMUCDYMHLBGA-CYBMUJFWSA-N 1 2 381.217 2.161 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665353464 652551312 /nfs/dbraw/zinc/55/13/12/652551312.db2.gz FQCIYWGMCPPRCU-CHWSQXEVSA-N 1 2 391.269 2.349 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](CCO)C3CC3)[nH+]c12 ZINC000758691989 652552470 /nfs/dbraw/zinc/55/24/70/652552470.db2.gz DVHORCSASUNYFS-HNNXBMFYSA-N 1 2 395.301 2.408 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(C)c(Br)c2C)CC1 ZINC000665618690 652555475 /nfs/dbraw/zinc/55/54/75/652555475.db2.gz CLICMZBERIVBAB-UHFFFAOYSA-N 1 2 399.329 2.485 20 0 GEADLO C[C@H](O)CNc1cc(N2CCOc3c(Br)cccc3C2)nc[nH+]1 ZINC000665715815 652558090 /nfs/dbraw/zinc/55/80/90/652558090.db2.gz MOQFVZLROVFZNJ-NSHDSACASA-N 1 2 379.258 2.431 20 0 GEADLO C[C@H](O)CNc1cc(N2CCOc3c(Br)cccc3C2)[nH+]cn1 ZINC000665715815 652558095 /nfs/dbraw/zinc/55/80/95/652558095.db2.gz MOQFVZLROVFZNJ-NSHDSACASA-N 1 2 379.258 2.431 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cn(C)c(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000759106583 652563243 /nfs/dbraw/zinc/56/32/43/652563243.db2.gz UAQBNHWTWBLDSH-HNNXBMFYSA-N 1 2 382.917 2.359 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cn(C)c(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000759106583 652563247 /nfs/dbraw/zinc/56/32/47/652563247.db2.gz UAQBNHWTWBLDSH-HNNXBMFYSA-N 1 2 382.917 2.359 20 0 GEADLO O=S(=O)(CC1CC(F)(F)C1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680256 652574074 /nfs/dbraw/zinc/57/40/74/652574074.db2.gz GZQHHYCDOKDANC-UHFFFAOYSA-N 1 2 377.482 2.100 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666449564 652577019 /nfs/dbraw/zinc/57/70/19/652577019.db2.gz FUMZUJOEVVAYQT-GLQYFDAESA-N 1 2 379.258 2.323 20 0 GEADLO COc1cc(Br)cc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000666479021 652577960 /nfs/dbraw/zinc/57/79/60/652577960.db2.gz JPJHNUUTTOUJRQ-CQSZACIVSA-N 1 2 384.274 2.396 20 0 GEADLO Cc1cc(Br)c(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000666638917 652581827 /nfs/dbraw/zinc/58/18/27/652581827.db2.gz QSMXJVJPHZGVTJ-TXEJJXNPSA-N 1 2 388.331 2.481 20 0 GEADLO Cc1cc(Br)c(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000666638917 652581830 /nfs/dbraw/zinc/58/18/30/652581830.db2.gz QSMXJVJPHZGVTJ-TXEJJXNPSA-N 1 2 388.331 2.481 20 0 GEADLO Cc1cccn2cc(CCNC(=O)NCc3c(Br)cnn3C)[nH+]c12 ZINC000633062264 652584401 /nfs/dbraw/zinc/58/44/01/652584401.db2.gz UFWLRFBYIWOLSH-UHFFFAOYSA-N 1 2 391.273 2.181 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)c1 ZINC000633299836 652592499 /nfs/dbraw/zinc/59/24/99/652592499.db2.gz ZPHHVSHYGJZCSK-VNQPRFMTSA-N 1 2 375.270 2.363 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000592526552 652598456 /nfs/dbraw/zinc/59/84/56/652598456.db2.gz BKJKQEHLLXFUAU-GHMZBOCLSA-N 1 2 394.212 2.406 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000592526552 652598462 /nfs/dbraw/zinc/59/84/62/652598462.db2.gz BKJKQEHLLXFUAU-GHMZBOCLSA-N 1 2 394.212 2.406 20 0 GEADLO O=C(CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Br)c(F)c1 ZINC000633709938 652608493 /nfs/dbraw/zinc/60/84/93/652608493.db2.gz UJVGYOOCUIAZHB-LLVKDONJSA-N 1 2 380.217 2.346 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633767264 652612640 /nfs/dbraw/zinc/61/26/40/652612640.db2.gz UNCZOIKVCHYOJE-FZMZJTMJSA-N 1 2 380.432 2.105 20 0 GEADLO CCCn1nccc1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000667635560 652615813 /nfs/dbraw/zinc/61/58/13/652615813.db2.gz CQCISZIXUHXWKD-UHFFFAOYSA-N 1 2 382.452 2.081 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCCc2sccc2C1 ZINC000593355343 652617903 /nfs/dbraw/zinc/61/79/03/652617903.db2.gz LPPCZNGQTYPXNC-GOSISDBHSA-N 1 2 381.567 2.414 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2c(Cl)cccc2Br)CCO1 ZINC000667815090 652620325 /nfs/dbraw/zinc/62/03/25/652620325.db2.gz JUHGETGXJBRAEG-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2c(Cl)cccc2Br)CCO1 ZINC000667815090 652620331 /nfs/dbraw/zinc/62/03/31/652620331.db2.gz JUHGETGXJBRAEG-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO CO[C@](C)(CO)C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000668293836 652636760 /nfs/dbraw/zinc/63/67/60/652636760.db2.gz KJGVPVAVNQRBCT-LBPRGKRZSA-N 1 2 383.080 2.404 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)c1scc2c1OCCO2 ZINC000634305584 652637141 /nfs/dbraw/zinc/63/71/41/652637141.db2.gz WLXPHJLJTQTARM-UHFFFAOYSA-N 1 2 377.491 2.398 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)c(F)cc1Br ZINC000634661225 652651800 /nfs/dbraw/zinc/65/18/00/652651800.db2.gz MMUDITOCPPNZQG-SNVBAGLBSA-N 1 2 388.262 2.386 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000668668861 652658344 /nfs/dbraw/zinc/65/83/44/652658344.db2.gz FKALUNOVKVFXAV-UHFFFAOYSA-N 1 2 396.329 2.454 20 0 GEADLO C[C@H]([C@@H]1C[N@H+](C)CCO1)N1C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000762171454 652678699 /nfs/dbraw/zinc/67/86/99/652678699.db2.gz OIGWEFQQLLHBGU-ONERCXAPSA-N 1 2 386.279 2.175 20 0 GEADLO C[C@H]([C@@H]1C[N@@H+](C)CCO1)N1C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000762171454 652678703 /nfs/dbraw/zinc/67/87/03/652678703.db2.gz OIGWEFQQLLHBGU-ONERCXAPSA-N 1 2 386.279 2.175 20 0 GEADLO O=S1(=O)CCC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000634967512 652678740 /nfs/dbraw/zinc/67/87/40/652678740.db2.gz QBRMLRIIEKDBCL-CYBMUJFWSA-N 1 2 399.314 2.291 20 0 GEADLO CN(C)C(=O)C[NH+]1CCN(c2ccnc3c(Br)ccc(F)c23)CC1 ZINC000669647949 652711059 /nfs/dbraw/zinc/71/10/59/652711059.db2.gz CQKCXTVGLBEHFY-UHFFFAOYSA-N 1 2 395.276 2.347 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000669841759 652721381 /nfs/dbraw/zinc/72/13/81/652721381.db2.gz YQDAGTGLVVLXML-UHFFFAOYSA-N 1 2 380.432 2.091 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000669841759 652721388 /nfs/dbraw/zinc/72/13/88/652721388.db2.gz YQDAGTGLVVLXML-UHFFFAOYSA-N 1 2 380.432 2.091 20 0 GEADLO Cc1cscc1NC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000635349631 652721698 /nfs/dbraw/zinc/72/16/98/652721698.db2.gz YUZTXJFLXKBIFU-UHFFFAOYSA-N 1 2 376.507 2.260 20 0 GEADLO CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635469988 652733431 /nfs/dbraw/zinc/73/34/31/652733431.db2.gz SKZFJWWJKGXCPM-QWRGUYRKSA-N 1 2 378.420 2.193 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635853502 652759889 /nfs/dbraw/zinc/75/98/89/652759889.db2.gz HZPWBFMSTSOETD-BPLDGKMQSA-N 1 2 378.270 2.243 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635853502 652759893 /nfs/dbraw/zinc/75/98/93/652759893.db2.gz HZPWBFMSTSOETD-BPLDGKMQSA-N 1 2 378.270 2.243 20 0 GEADLO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635864995 652761327 /nfs/dbraw/zinc/76/13/27/652761327.db2.gz NXEBMQJBBCUIJH-MCIONIFRSA-N 1 2 389.253 2.197 20 0 GEADLO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635864995 652761331 /nfs/dbraw/zinc/76/13/31/652761331.db2.gz NXEBMQJBBCUIJH-MCIONIFRSA-N 1 2 389.253 2.197 20 0 GEADLO CSc1ncc(Cl)c(C(=O)N2CC[NH+](CCc3ccncc3)CC2)n1 ZINC000636297628 652794721 /nfs/dbraw/zinc/79/47/21/652794721.db2.gz LSQLQYFCKWEVDB-UHFFFAOYSA-N 1 2 377.901 2.247 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000597999457 652797014 /nfs/dbraw/zinc/79/70/14/652797014.db2.gz XDRKZHVILMLOIF-NWDGAFQWSA-N 1 2 399.285 2.075 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000597999457 652797020 /nfs/dbraw/zinc/79/70/20/652797020.db2.gz XDRKZHVILMLOIF-NWDGAFQWSA-N 1 2 399.285 2.075 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1Br ZINC000598187260 652803406 /nfs/dbraw/zinc/80/34/06/652803406.db2.gz VTECKDFEDBPPCA-IAQYHMDHSA-N 1 2 392.253 2.239 20 0 GEADLO Cc1scc(CNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)c1C ZINC000636606292 652810599 /nfs/dbraw/zinc/81/05/99/652810599.db2.gz OQWDBELSMGRREZ-UHFFFAOYSA-N 1 2 377.535 2.217 20 0 GEADLO Cc1scc(CNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)c1C ZINC000636606292 652810602 /nfs/dbraw/zinc/81/06/02/652810602.db2.gz OQWDBELSMGRREZ-UHFFFAOYSA-N 1 2 377.535 2.217 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000764919448 652815268 /nfs/dbraw/zinc/81/52/68/652815268.db2.gz GCJGKDPDCQGPBU-JSGCOSHPSA-N 1 2 399.333 2.344 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000764919448 652815269 /nfs/dbraw/zinc/81/52/69/652815269.db2.gz GCJGKDPDCQGPBU-JSGCOSHPSA-N 1 2 399.333 2.344 20 0 GEADLO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636769829 652821927 /nfs/dbraw/zinc/82/19/27/652821927.db2.gz OISAJMWVJLAVGR-CHWSQXEVSA-N 1 2 390.285 2.148 20 0 GEADLO C[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)Oc1ccc(Br)cc1 ZINC000636861581 652826790 /nfs/dbraw/zinc/82/67/90/652826790.db2.gz GHOBRWBXHCNRAU-DGCLKSJQSA-N 1 2 379.258 2.337 20 0 GEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000672148430 652827865 /nfs/dbraw/zinc/82/78/65/652827865.db2.gz NSPUNQRCPISYNR-NSHDSACASA-N 1 2 378.226 2.162 20 0 GEADLO COc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc(OC)c1Br ZINC000672155863 652828259 /nfs/dbraw/zinc/82/82/59/652828259.db2.gz HNQQRVWWTYEHBR-NSHDSACASA-N 1 2 380.242 2.408 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000637123039 652840265 /nfs/dbraw/zinc/84/02/65/652840265.db2.gz UYWBELMFQSTXOG-QMTHXVAHSA-N 1 2 377.242 2.393 20 0 GEADLO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637131030 652841085 /nfs/dbraw/zinc/84/10/85/652841085.db2.gz SBROQWBULHBPMI-HIFRSBDPSA-N 1 2 376.258 2.416 20 0 GEADLO O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598942477 652841171 /nfs/dbraw/zinc/84/11/71/652841171.db2.gz BLERBVHQMZAMRA-ZLOXQWCVSA-N 1 2 396.310 2.275 20 0 GEADLO O=C(CCC[S@@](=O)c1ccc(Br)cc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598942476 652841263 /nfs/dbraw/zinc/84/12/63/652841263.db2.gz BLERBVHQMZAMRA-ZAMGYDSWSA-N 1 2 396.310 2.275 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1I ZINC000598950556 652842625 /nfs/dbraw/zinc/84/26/25/652842625.db2.gz RQJSCHZZFWSRTL-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO O=C(c1cccc2[nH+]ccn21)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000765964698 652860541 /nfs/dbraw/zinc/86/05/41/652860541.db2.gz UTCQIAQITSWWNY-MRXNPFEDSA-N 1 2 399.248 2.410 20 0 GEADLO C[C@H](C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)[NH+]1CCSCC1 ZINC000673451612 652863955 /nfs/dbraw/zinc/86/39/55/652863955.db2.gz ASDWJJLGJMXOQW-GFCCVEGCSA-N 1 2 379.917 2.221 20 0 GEADLO C[C@H](C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)[NH+]1CCSCC1 ZINC000673451612 652863959 /nfs/dbraw/zinc/86/39/59/652863959.db2.gz ASDWJJLGJMXOQW-GFCCVEGCSA-N 1 2 379.917 2.221 20 0 GEADLO COC(=O)c1cnc(C[NH+]2CCN(c3cccc(Br)c3)CC2)cn1 ZINC000599403154 652867260 /nfs/dbraw/zinc/86/72/60/652867260.db2.gz BDSRGDJAPYGQQQ-UHFFFAOYSA-N 1 2 391.269 2.348 20 0 GEADLO O=C(CN1CCc2[nH+]c[nH]c2C1)Nc1ccccc1I ZINC000599430496 652870949 /nfs/dbraw/zinc/87/09/49/652870949.db2.gz UDJBOJAPFPVMDA-UHFFFAOYSA-N 1 2 382.205 2.011 20 0 GEADLO CCO[C@@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000637813432 652874300 /nfs/dbraw/zinc/87/43/00/652874300.db2.gz PZPGMWCTAUVSOX-GFCCVEGCSA-N 1 2 377.304 2.097 20 0 GEADLO CCO[C@@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000637813432 652874305 /nfs/dbraw/zinc/87/43/05/652874305.db2.gz PZPGMWCTAUVSOX-GFCCVEGCSA-N 1 2 377.304 2.097 20 0 GEADLO CCN1C[C@H](C[N@H+](C)Cc2ccc(S(N)(=O)=O)s2)Oc2ccccc21 ZINC000637874298 652876015 /nfs/dbraw/zinc/87/60/15/652876015.db2.gz ABAXXLHHJQYAJN-ZDUSSCGKSA-N 1 2 381.523 2.115 20 0 GEADLO CCN1C[C@H](C[N@@H+](C)Cc2ccc(S(N)(=O)=O)s2)Oc2ccccc21 ZINC000637874298 652876018 /nfs/dbraw/zinc/87/60/18/652876018.db2.gz ABAXXLHHJQYAJN-ZDUSSCGKSA-N 1 2 381.523 2.115 20 0 GEADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000637907017 652877719 /nfs/dbraw/zinc/87/77/19/652877719.db2.gz FQPWGLSKBHXTAO-ZDUSSCGKSA-N 1 2 383.901 2.459 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000599562450 652878098 /nfs/dbraw/zinc/87/80/98/652878098.db2.gz IBYAEOIVUVXVMV-IQMFZBJNSA-N 1 2 380.293 2.365 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000599562450 652878101 /nfs/dbraw/zinc/87/81/01/652878101.db2.gz IBYAEOIVUVXVMV-IQMFZBJNSA-N 1 2 380.293 2.365 20 0 GEADLO COc1nsc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1Br ZINC000637960742 652879334 /nfs/dbraw/zinc/87/93/34/652879334.db2.gz RPLOTVGIBYFMSD-LLVKDONJSA-N 1 2 376.320 2.211 20 0 GEADLO COc1nsc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1Br ZINC000637960742 652879336 /nfs/dbraw/zinc/87/93/36/652879336.db2.gz RPLOTVGIBYFMSD-LLVKDONJSA-N 1 2 376.320 2.211 20 0 GEADLO CCc1ccc(C[NH+]2CCN(Cc3ccc(S(N)(=O)=O)s3)CC2)s1 ZINC000638019170 652881575 /nfs/dbraw/zinc/88/15/75/652881575.db2.gz AOGBTZGXDRRMPM-UHFFFAOYSA-N 1 2 385.580 2.337 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@@H]2CCC[C@H]21 ZINC000599654462 652882008 /nfs/dbraw/zinc/88/20/08/652882008.db2.gz MHRUSTNWNVHKJU-ARFHVFGLSA-N 1 2 386.901 2.151 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@@H]2CCC[C@H]21 ZINC000599654462 652882014 /nfs/dbraw/zinc/88/20/14/652882014.db2.gz MHRUSTNWNVHKJU-ARFHVFGLSA-N 1 2 386.901 2.151 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cnc(Cl)n1C ZINC000766848534 652900257 /nfs/dbraw/zinc/90/02/57/652900257.db2.gz CEGPCQTXPYDQTJ-ZIAGYGMSSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cnc(Cl)n1C ZINC000766848534 652900259 /nfs/dbraw/zinc/90/02/59/652900259.db2.gz CEGPCQTXPYDQTJ-ZIAGYGMSSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000766849536 652900418 /nfs/dbraw/zinc/90/04/18/652900418.db2.gz IOXJIUIZRYRHRV-KBPBESRZSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000766849536 652900423 /nfs/dbraw/zinc/90/04/23/652900423.db2.gz IOXJIUIZRYRHRV-KBPBESRZSA-N 1 2 382.917 2.357 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)s1 ZINC000638740971 652905041 /nfs/dbraw/zinc/90/50/41/652905041.db2.gz BBBBFLACQMVUTM-UHFFFAOYSA-N 1 2 392.405 2.015 20 0 GEADLO O=C(COc1ccc(Br)cc1F)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767431830 652925163 /nfs/dbraw/zinc/92/51/63/652925163.db2.gz ILJPCJLRFHKRFO-BETUJISGSA-N 1 2 388.233 2.373 20 0 GEADLO O=C(COc1ccc(Br)cc1F)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767431830 652925167 /nfs/dbraw/zinc/92/51/67/652925167.db2.gz ILJPCJLRFHKRFO-BETUJISGSA-N 1 2 388.233 2.373 20 0 GEADLO CS(=O)(=O)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000675504994 652930550 /nfs/dbraw/zinc/93/05/50/652930550.db2.gz WMMZSJFECYIFED-GFCCVEGCSA-N 1 2 382.309 2.242 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)cc1Cl ZINC000639340639 652933081 /nfs/dbraw/zinc/93/30/81/652933081.db2.gz XWEAQHXDDKGVQO-HNNXBMFYSA-N 1 2 381.885 2.174 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](OCc3ccccn3)C2)cc1Cl ZINC000639340639 652933084 /nfs/dbraw/zinc/93/30/84/652933084.db2.gz XWEAQHXDDKGVQO-HNNXBMFYSA-N 1 2 381.885 2.174 20 0 GEADLO Cc1cc(I)cnc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000600823389 652934886 /nfs/dbraw/zinc/93/48/86/652934886.db2.gz KNFCFHOPYNMKSQ-GHMZBOCLSA-N 1 2 382.205 2.470 20 0 GEADLO O=C(C[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1)NCc1cccnc1 ZINC000639772310 652953116 /nfs/dbraw/zinc/95/31/16/652953116.db2.gz JQQFTEKKJDMQAJ-HNNXBMFYSA-N 1 2 391.269 2.009 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1)NCc1cccnc1 ZINC000639772310 652953123 /nfs/dbraw/zinc/95/31/23/652953123.db2.gz JQQFTEKKJDMQAJ-HNNXBMFYSA-N 1 2 391.269 2.009 20 0 GEADLO O=C(Nc1cncc(Br)c1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639887457 653087626 /nfs/dbraw/zinc/08/76/26/653087626.db2.gz NLDQALHGTANXJL-UHFFFAOYSA-N 1 2 391.273 2.026 20 0 GEADLO C[C@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2Br)C(=O)N1c1cnn(C)c1 ZINC000676239864 653092487 /nfs/dbraw/zinc/09/24/87/653092487.db2.gz QNIRRCNPSAVCSQ-ZUZCIYMTSA-N 1 2 379.258 2.172 20 0 GEADLO O=C(C[NH+]1CCC(CCO)(CCO)CC1)Nc1ccccc1Br ZINC000640012888 653093588 /nfs/dbraw/zinc/09/35/88/653093588.db2.gz JKOTWNNDVHQARO-UHFFFAOYSA-N 1 2 385.302 2.235 20 0 GEADLO Cc1cccn2cc(CCNC(=O)NCCn3cc(Br)cn3)[nH+]c12 ZINC000805167321 653102642 /nfs/dbraw/zinc/10/26/42/653102642.db2.gz YYNDMXFHXKKRJX-UHFFFAOYSA-N 1 2 391.273 2.144 20 0 GEADLO C[C@H](C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)[NH+]1CCSCC1 ZINC000676842115 653108234 /nfs/dbraw/zinc/10/82/34/653108234.db2.gz NNXDEVKNFDEWSI-SNVBAGLBSA-N 1 2 377.919 2.087 20 0 GEADLO COC[C@H]1CCCC[N@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000768541622 653116455 /nfs/dbraw/zinc/11/64/55/653116455.db2.gz QAGIGLHRNFPJNR-LSDHHAIUSA-N 1 2 389.949 2.453 20 0 GEADLO COC[C@H]1CCCC[N@@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000768541622 653116456 /nfs/dbraw/zinc/11/64/56/653116456.db2.gz QAGIGLHRNFPJNR-LSDHHAIUSA-N 1 2 389.949 2.453 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000805469779 653118622 /nfs/dbraw/zinc/11/86/22/653118622.db2.gz RAUDJCZHJPVYDQ-LSDHHAIUSA-N 1 2 387.263 2.363 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000805469779 653118625 /nfs/dbraw/zinc/11/86/25/653118625.db2.gz RAUDJCZHJPVYDQ-LSDHHAIUSA-N 1 2 387.263 2.363 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1nsc2ccccc21 ZINC000640342080 653121602 /nfs/dbraw/zinc/12/16/02/653121602.db2.gz MDQGUIYGMUNMMN-QGZVFWFLSA-N 1 2 378.523 2.626 20 0 GEADLO CCOCC[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000771636976 653122281 /nfs/dbraw/zinc/12/22/81/653122281.db2.gz ROOPUNGGSHUDJL-INIZCTEOSA-N 1 2 384.274 2.142 20 0 GEADLO CCOCC[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000771636976 653122284 /nfs/dbraw/zinc/12/22/84/653122284.db2.gz ROOPUNGGSHUDJL-INIZCTEOSA-N 1 2 384.274 2.142 20 0 GEADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000771899584 653131641 /nfs/dbraw/zinc/13/16/41/653131641.db2.gz XTXPYTTZQCRUAC-GFCCVEGCSA-N 1 2 378.226 2.242 20 0 GEADLO O=C(OCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000771899585 653131813 /nfs/dbraw/zinc/13/18/13/653131813.db2.gz XTXPYTTZQCRUAC-LBPRGKRZSA-N 1 2 378.226 2.242 20 0 GEADLO Cc1nc(C[NH+]2CCC(C(=O)OCC3CCS(=O)(=O)CC3)CC2)cs1 ZINC000805901409 653135271 /nfs/dbraw/zinc/13/52/71/653135271.db2.gz JJAXAZLUABVXTI-UHFFFAOYSA-N 1 2 386.539 2.032 20 0 GEADLO O=C(CCCn1cc[nH+]c1)Nc1cc2c(cc1Br)NC(=O)CO2 ZINC000679041400 653137056 /nfs/dbraw/zinc/13/70/56/653137056.db2.gz SXGPPYSAILFQLK-UHFFFAOYSA-N 1 2 379.214 2.395 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772048857 653138179 /nfs/dbraw/zinc/13/81/79/653138179.db2.gz MREKLICPPGAYPH-NSHDSACASA-N 1 2 376.931 2.340 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772048857 653138184 /nfs/dbraw/zinc/13/81/84/653138184.db2.gz MREKLICPPGAYPH-NSHDSACASA-N 1 2 376.931 2.340 20 0 GEADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2cscc2Cl)CC1 ZINC000640787110 653138768 /nfs/dbraw/zinc/13/87/68/653138768.db2.gz WGFPKSBGGDXWRI-UHFFFAOYSA-N 1 2 377.861 2.432 20 0 GEADLO CC[N@@H+](Cc1ccc(I)s1)[C@H]1CCS(=O)(=O)C1 ZINC000602431004 653180102 /nfs/dbraw/zinc/18/01/02/653180102.db2.gz BACHXYLIJKBJEI-VIFPVBQESA-N 1 2 385.292 2.362 20 0 GEADLO CC[N@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)CCS(C)(=O)=O ZINC000772217939 653142138 /nfs/dbraw/zinc/14/21/38/653142138.db2.gz GBQILFORQIILMC-UHFFFAOYSA-N 1 2 382.555 2.061 20 0 GEADLO CC[N@@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)CCS(C)(=O)=O ZINC000772217939 653142142 /nfs/dbraw/zinc/14/21/42/653142142.db2.gz GBQILFORQIILMC-UHFFFAOYSA-N 1 2 382.555 2.061 20 0 GEADLO FC(F)(F)Cn1cc[nH+]c1Cn1cc(Cn2cc(Br)cn2)nn1 ZINC000641029429 653151243 /nfs/dbraw/zinc/15/12/43/653151243.db2.gz VPZABTAGNMDABS-UHFFFAOYSA-N 1 2 390.167 2.093 20 0 GEADLO Cc1csc(=O)n1CC[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679831740 653153897 /nfs/dbraw/zinc/15/38/97/653153897.db2.gz XZOAKOPKLWPAAX-INIZCTEOSA-N 1 2 381.523 2.125 20 0 GEADLO Cc1csc(=O)n1CC[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679831740 653153902 /nfs/dbraw/zinc/15/39/02/653153902.db2.gz XZOAKOPKLWPAAX-INIZCTEOSA-N 1 2 381.523 2.125 20 0 GEADLO O=C(NCCc1ccc(I)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602187549 653155985 /nfs/dbraw/zinc/15/59/85/653155985.db2.gz MXTQDOJBDGGOEX-CHWSQXEVSA-N 1 2 381.217 2.477 20 0 GEADLO O=C(NCCc1ccc(I)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602187549 653155988 /nfs/dbraw/zinc/15/59/88/653155988.db2.gz MXTQDOJBDGGOEX-CHWSQXEVSA-N 1 2 381.217 2.477 20 0 GEADLO Cc1cnc(Br)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000806435135 653162249 /nfs/dbraw/zinc/16/22/49/653162249.db2.gz FTZLSMGTFNSLFU-QWHCGFSZSA-N 1 2 383.290 2.479 20 0 GEADLO Cn1cc(C[NH+]2CCN(C[C@H](O)c3cccc(Br)c3)CC2)cn1 ZINC000772752429 653163846 /nfs/dbraw/zinc/16/38/46/653163846.db2.gz UOFCWJPDBREDBA-KRWDZBQOSA-N 1 2 379.302 2.034 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000806667155 653172426 /nfs/dbraw/zinc/17/24/26/653172426.db2.gz UNGFXRBXSAVBCZ-WBMJQRKESA-N 1 2 390.311 2.437 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000806667155 653172430 /nfs/dbraw/zinc/17/24/30/653172430.db2.gz UNGFXRBXSAVBCZ-WBMJQRKESA-N 1 2 390.311 2.437 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCc1c[nH]c2cc(Cl)ccc12 ZINC000680953730 653175331 /nfs/dbraw/zinc/17/53/31/653175331.db2.gz WEIFSIRWULZBAZ-UHFFFAOYSA-N 1 2 385.917 2.006 20 0 GEADLO COc1cc(CS(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)sn1 ZINC000641271163 653176042 /nfs/dbraw/zinc/17/60/42/653176042.db2.gz WTCKPSSDHXKAAX-UHFFFAOYSA-N 1 2 378.479 2.016 20 0 GEADLO CC[N@H+](Cc1ccc(I)s1)[C@H]1CCS(=O)(=O)C1 ZINC000602431004 653180096 /nfs/dbraw/zinc/18/00/96/653180096.db2.gz BACHXYLIJKBJEI-VIFPVBQESA-N 1 2 385.292 2.362 20 0 GEADLO O=C1NCCN1C1CC[NH+](Cc2ccc(I)s2)CC1 ZINC000602435404 653180690 /nfs/dbraw/zinc/18/06/90/653180690.db2.gz YZEUESKYMVSMOX-UHFFFAOYSA-N 1 2 391.278 2.342 20 0 GEADLO COCCONC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000807188565 653186997 /nfs/dbraw/zinc/18/69/97/653186997.db2.gz WFXVRHPLDFLCLW-UHFFFAOYSA-N 1 2 387.234 2.028 20 0 GEADLO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000769918061 653190444 /nfs/dbraw/zinc/19/04/44/653190444.db2.gz SXGLRNCDDFPMAE-UHFFFAOYSA-N 1 2 388.898 2.174 20 0 GEADLO COCCCOCC[N@H+](C)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773323449 653193096 /nfs/dbraw/zinc/19/30/96/653193096.db2.gz WNVBYZMMVRAWEO-UHFFFAOYSA-N 1 2 391.237 2.439 20 0 GEADLO COCCCOCC[N@@H+](C)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773323449 653193106 /nfs/dbraw/zinc/19/31/06/653193106.db2.gz WNVBYZMMVRAWEO-UHFFFAOYSA-N 1 2 391.237 2.439 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C[C@@H](C(F)(F)F)O1 ZINC000641365213 653193174 /nfs/dbraw/zinc/19/31/74/653193174.db2.gz WTLQSRINWDCXDR-NHYWBVRUSA-N 1 2 378.416 2.015 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C[C@@H](C(F)(F)F)O1 ZINC000641365213 653193183 /nfs/dbraw/zinc/19/31/83/653193183.db2.gz WTLQSRINWDCXDR-NHYWBVRUSA-N 1 2 378.416 2.015 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCc2sc(Br)cc2C1 ZINC000641388932 653197233 /nfs/dbraw/zinc/19/72/33/653197233.db2.gz ZFTCOAULPSJLFH-UHFFFAOYSA-N 1 2 376.301 2.095 20 0 GEADLO CN1CC[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000641392804 653197653 /nfs/dbraw/zinc/19/76/53/653197653.db2.gz FJYOOPNOTGQDEU-HZPDHXFCSA-N 1 2 386.880 2.040 20 0 GEADLO COC(=O)c1cc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)[nH]c1C ZINC000602647007 653197668 /nfs/dbraw/zinc/19/76/68/653197668.db2.gz GARBCOBHVWBOCF-AWEZNQCLSA-N 1 2 380.242 2.188 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000682001525 653202187 /nfs/dbraw/zinc/20/21/87/653202187.db2.gz GILYWYRUVJGVTG-UHFFFAOYSA-N 1 2 393.285 2.187 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770285698 653207711 /nfs/dbraw/zinc/20/77/11/653207711.db2.gz IVIYPMPHVXWMQR-LZWOXQAQSA-N 1 2 387.933 2.205 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770285698 653207718 /nfs/dbraw/zinc/20/77/18/653207718.db2.gz IVIYPMPHVXWMQR-LZWOXQAQSA-N 1 2 387.933 2.205 20 0 GEADLO CN(Cc1ccc(Br)c(F)c1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641455073 653207765 /nfs/dbraw/zinc/20/77/65/653207765.db2.gz DSCJYNGEPBBUOO-UHFFFAOYSA-N 1 2 376.251 2.247 20 0 GEADLO C[C@H]1CO[C@@H](C(F)(F)F)CN1S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641489279 653213097 /nfs/dbraw/zinc/21/30/97/653213097.db2.gz MVFWONZPKYSJRI-XHDPSFHLSA-N 1 2 378.416 2.015 20 0 GEADLO C[C@H]1CO[C@@H](C(F)(F)F)CN1S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641489279 653213103 /nfs/dbraw/zinc/21/31/03/653213103.db2.gz MVFWONZPKYSJRI-XHDPSFHLSA-N 1 2 378.416 2.015 20 0 GEADLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000682514551 653216527 /nfs/dbraw/zinc/21/65/27/653216527.db2.gz FNLIYIBDDZGMHE-RISCZKNCSA-N 1 2 379.869 2.086 20 0 GEADLO O=C(CCNS(=O)(=O)CCn1cc[nH+]c1)Nc1cc(Cl)cc(Cl)c1 ZINC000641527616 653218265 /nfs/dbraw/zinc/21/82/65/653218265.db2.gz BHYSAXMZGDFLMB-UHFFFAOYSA-N 1 2 391.280 2.138 20 0 GEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000770722517 653222469 /nfs/dbraw/zinc/22/24/69/653222469.db2.gz GIQFGWBPFUMMIA-RKDXNWHRSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000770722517 653222470 /nfs/dbraw/zinc/22/24/70/653222470.db2.gz GIQFGWBPFUMMIA-RKDXNWHRSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@]1(CS(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1(F)F ZINC000641641666 653226847 /nfs/dbraw/zinc/22/68/47/653226847.db2.gz OJJMUIWFYOLHSX-AWEZNQCLSA-N 1 2 377.482 2.100 20 0 GEADLO Cc1nc(Cl)c(Cl)cc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000808385289 653228976 /nfs/dbraw/zinc/22/89/76/653228976.db2.gz QIKSMMRTWBUGSF-UHFFFAOYSA-N 1 2 384.267 2.478 20 0 GEADLO O=C(CCCn1cc[nH+]c1)NC[C@H](CO)Cc1ccccc1Br ZINC000683256255 653232767 /nfs/dbraw/zinc/23/27/67/653232767.db2.gz MSYHBAXLHJLZJI-CQSZACIVSA-N 1 2 380.286 2.393 20 0 GEADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCCNC(=O)C(F)(F)F ZINC000774546971 653241033 /nfs/dbraw/zinc/24/10/33/653241033.db2.gz RGHGDLNSGNZMFY-UHFFFAOYSA-N 1 2 381.782 2.288 20 0 GEADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCCNC(=O)C(F)(F)F ZINC000774546971 653241034 /nfs/dbraw/zinc/24/10/34/653241034.db2.gz RGHGDLNSGNZMFY-UHFFFAOYSA-N 1 2 381.782 2.288 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ncc(Br)s3)cc2C1 ZINC000684073162 653253219 /nfs/dbraw/zinc/25/32/19/653253219.db2.gz QLDLKWGCOPEQNB-UHFFFAOYSA-N 1 2 395.282 2.001 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ncc(Br)s3)cc2C1 ZINC000684073162 653253229 /nfs/dbraw/zinc/25/32/29/653253229.db2.gz QLDLKWGCOPEQNB-UHFFFAOYSA-N 1 2 395.282 2.001 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)/C=C\c2ccccc2Cl)[C@H](C)C1 ZINC000774786819 653255949 /nfs/dbraw/zinc/25/59/49/653255949.db2.gz BNBJLWWPFSQNTD-ICDLMJIXSA-N 1 2 386.901 2.210 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)/C=C\c2ccccc2Cl)[C@H](C)C1 ZINC000774786819 653255956 /nfs/dbraw/zinc/25/59/56/653255956.db2.gz BNBJLWWPFSQNTD-ICDLMJIXSA-N 1 2 386.901 2.210 20 0 GEADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(Br)n2)CC1 ZINC000809347564 653263105 /nfs/dbraw/zinc/26/31/05/653263105.db2.gz WTXVZDNUNDYQPK-AWEZNQCLSA-N 1 2 381.318 2.367 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000684659163 653283834 /nfs/dbraw/zinc/28/38/34/653283834.db2.gz CGWHXBWBGIKYIR-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)c1ccccc1Cl ZINC000775076018 653284121 /nfs/dbraw/zinc/28/41/21/653284121.db2.gz ABOMLFHTPBKCHM-GXFFZTMASA-N 1 2 392.714 2.369 20 0 GEADLO CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC(F)(F)c1ccc(Br)cc1 ZINC000857252165 653303825 /nfs/dbraw/zinc/30/38/25/653303825.db2.gz BOBOPBBTIDHPTM-OLZOCXBDSA-N 1 2 377.229 2.424 20 0 GEADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000857384200 653318833 /nfs/dbraw/zinc/31/88/33/653318833.db2.gz VYQCZFRJMFNHTA-YPMHNXCESA-N 1 2 375.300 2.183 20 0 GEADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000857384200 653318837 /nfs/dbraw/zinc/31/88/37/653318837.db2.gz VYQCZFRJMFNHTA-YPMHNXCESA-N 1 2 375.300 2.183 20 0 GEADLO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000711765884 653323170 /nfs/dbraw/zinc/32/31/70/653323170.db2.gz SYKICPOYRMJXAQ-HQJQHLMTSA-N 1 2 398.120 2.129 20 0 GEADLO O=S(=O)(C1=Cc2cc(Br)ccc2OC1)N1CCn2c[nH+]cc2C1 ZINC000810090727 653323574 /nfs/dbraw/zinc/32/35/74/653323574.db2.gz VVKPPPRMQUROJX-UHFFFAOYSA-N 1 2 396.266 2.225 20 0 GEADLO Cn1cc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Br)n1 ZINC000712459602 653323842 /nfs/dbraw/zinc/32/38/42/653323842.db2.gz PTXFMQUZASCIKY-INIZCTEOSA-N 1 2 379.302 2.173 20 0 GEADLO Cn1cc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Br)n1 ZINC000712459602 653323850 /nfs/dbraw/zinc/32/38/50/653323850.db2.gz PTXFMQUZASCIKY-INIZCTEOSA-N 1 2 379.302 2.173 20 0 GEADLO C[C@@]1([NH2+]CCCOc2cccc(I)c2)CCOC1=O ZINC000810094891 653324346 /nfs/dbraw/zinc/32/43/46/653324346.db2.gz GAOAVJRZSHDLSH-CQSZACIVSA-N 1 2 375.206 2.355 20 0 GEADLO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000716295630 653326305 /nfs/dbraw/zinc/32/63/05/653326305.db2.gz MKKLRCKYBGQBHZ-HIFRSBDPSA-N 1 2 382.917 2.262 20 0 GEADLO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000716295630 653326312 /nfs/dbraw/zinc/32/63/12/653326312.db2.gz MKKLRCKYBGQBHZ-HIFRSBDPSA-N 1 2 382.917 2.262 20 0 GEADLO Cc1cc(C(C)(C)C(=O)N2CCC[N@H+](CC(N)=O)CC2)ccc1Br ZINC000810149316 653328396 /nfs/dbraw/zinc/32/83/96/653328396.db2.gz GCIMDKQYBUXLLU-UHFFFAOYSA-N 1 2 396.329 2.055 20 0 GEADLO Cc1cc(C(C)(C)C(=O)N2CCC[N@@H+](CC(N)=O)CC2)ccc1Br ZINC000810149316 653328401 /nfs/dbraw/zinc/32/84/01/653328401.db2.gz GCIMDKQYBUXLLU-UHFFFAOYSA-N 1 2 396.329 2.055 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000874698354 653333236 /nfs/dbraw/zinc/33/32/36/653333236.db2.gz BQMOUKDFOOXYGQ-CYBMUJFWSA-N 1 2 377.432 2.420 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000874698354 653333241 /nfs/dbraw/zinc/33/32/41/653333241.db2.gz BQMOUKDFOOXYGQ-CYBMUJFWSA-N 1 2 377.432 2.420 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(Br)ncc1Cl ZINC000874705858 653333705 /nfs/dbraw/zinc/33/37/05/653333705.db2.gz HTIYMPDQIPSDCX-SNVBAGLBSA-N 1 2 376.682 2.338 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(Br)ncc1Cl ZINC000874705858 653333709 /nfs/dbraw/zinc/33/37/09/653333709.db2.gz HTIYMPDQIPSDCX-SNVBAGLBSA-N 1 2 376.682 2.338 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000810432314 653339508 /nfs/dbraw/zinc/33/95/08/653339508.db2.gz UBEJJXOFCKRGFP-UHFFFAOYSA-N 1 2 389.612 2.230 20 0 GEADLO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2c3cc[nH+]cc3C[C@@H]2C)c1 ZINC000857900677 653342819 /nfs/dbraw/zinc/34/28/19/653342819.db2.gz DOQGGBHCSOOUNW-LBPRGKRZSA-N 1 2 380.491 2.242 20 0 GEADLO O=C(NCc1ncc(Cl)s1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000874996646 653346039 /nfs/dbraw/zinc/34/60/39/653346039.db2.gz GMVKJZCBPJXRNK-AWEZNQCLSA-N 1 2 380.901 2.497 20 0 GEADLO O=C(NCc1ncc(Cl)s1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000874996646 653346047 /nfs/dbraw/zinc/34/60/47/653346047.db2.gz GMVKJZCBPJXRNK-AWEZNQCLSA-N 1 2 380.901 2.497 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000857985944 653346226 /nfs/dbraw/zinc/34/62/26/653346226.db2.gz MJAFILANWSWMNZ-AAEUAGOBSA-N 1 2 389.253 2.260 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000857981548 653346284 /nfs/dbraw/zinc/34/62/84/653346284.db2.gz GRNWFPXBGOFTJM-CYBMUJFWSA-N 1 2 398.282 2.314 20 0 GEADLO CCOC1CC(CNC(=O)NC[C@]2(C)CC2(Cl)Cl)([NH+]2CCOCC2)C1 ZINC000836430208 653351686 /nfs/dbraw/zinc/35/16/86/653351686.db2.gz YBUOMEZDYSUXCF-SIWZUTFBSA-N 1 2 394.343 2.139 20 0 GEADLO CCOC1CC(CNC(=O)NC[C@@]2(C)CC2(Cl)Cl)([NH+]2CCOCC2)C1 ZINC000836430204 653351855 /nfs/dbraw/zinc/35/18/55/653351855.db2.gz YBUOMEZDYSUXCF-OGVSOVDVSA-N 1 2 394.343 2.139 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N(C)Cc2ccc(Br)cc2F)CCO1 ZINC000875193697 653357220 /nfs/dbraw/zinc/35/72/20/653357220.db2.gz DMIVHMGFCABONH-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)Cc2ccc(Br)cc2F)CCO1 ZINC000875193697 653357228 /nfs/dbraw/zinc/35/72/28/653357228.db2.gz DMIVHMGFCABONH-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CCO1 ZINC000875194421 653357324 /nfs/dbraw/zinc/35/73/24/653357324.db2.gz KWWIROOCMSDHFO-KLWIRTJPSA-N 1 2 394.313 2.107 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CCO1 ZINC000875194421 653357328 /nfs/dbraw/zinc/35/73/28/653357328.db2.gz KWWIROOCMSDHFO-KLWIRTJPSA-N 1 2 394.313 2.107 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000875548253 653376350 /nfs/dbraw/zinc/37/63/50/653376350.db2.gz GHLNUDNATICIAK-TZMCWYRMSA-N 1 2 385.306 2.315 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000875548253 653376356 /nfs/dbraw/zinc/37/63/56/653376356.db2.gz GHLNUDNATICIAK-TZMCWYRMSA-N 1 2 385.306 2.315 20 0 GEADLO Cc1cc(Br)nc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000836769966 653376959 /nfs/dbraw/zinc/37/69/59/653376959.db2.gz SUMGJXIXTLPFGT-STQMWFEESA-N 1 2 383.290 2.479 20 0 GEADLO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cn1cc(I)cn1)C2 ZINC000777556395 653401521 /nfs/dbraw/zinc/40/15/21/653401521.db2.gz KYLQTQAGYXSNKO-OAHLLOKOSA-N 1 2 394.216 2.041 20 0 GEADLO O=C1Nc2ccccc2[C@]12CC[N@H+](Cn1cc(I)cn1)C2 ZINC000777556395 653401526 /nfs/dbraw/zinc/40/15/26/653401526.db2.gz KYLQTQAGYXSNKO-OAHLLOKOSA-N 1 2 394.216 2.041 20 0 GEADLO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(Br)nc1F ZINC000859121219 653409475 /nfs/dbraw/zinc/40/94/75/653409475.db2.gz WFIIJXLONVOPMN-JTQLQIEISA-N 1 2 380.283 2.136 20 0 GEADLO C[C@H]1C[N@H+](Cn2c(=O)oc3cc(I)ccc32)CCCO1 ZINC000777957140 653414314 /nfs/dbraw/zinc/41/43/14/653414314.db2.gz RGRIUAAXCVQFJZ-JTQLQIEISA-N 1 2 388.205 2.267 20 0 GEADLO C[C@H]1C[N@@H+](Cn2c(=O)oc3cc(I)ccc32)CCCO1 ZINC000777957140 653414318 /nfs/dbraw/zinc/41/43/18/653414318.db2.gz RGRIUAAXCVQFJZ-JTQLQIEISA-N 1 2 388.205 2.267 20 0 GEADLO C[C@@H]1COCCC[N@@H+]1Cn1c(=O)oc2cc(I)ccc21 ZINC000777964428 653414776 /nfs/dbraw/zinc/41/47/76/653414776.db2.gz QANLKFFHOSLPBZ-SNVBAGLBSA-N 1 2 388.205 2.267 20 0 GEADLO C[C@@H]1COCCC[N@H+]1Cn1c(=O)oc2cc(I)ccc21 ZINC000777964428 653414778 /nfs/dbraw/zinc/41/47/78/653414778.db2.gz QANLKFFHOSLPBZ-SNVBAGLBSA-N 1 2 388.205 2.267 20 0 GEADLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000859179876 653418298 /nfs/dbraw/zinc/41/82/98/653418298.db2.gz SVQCIQPGBMTMFS-JTQLQIEISA-N 1 2 380.283 2.088 20 0 GEADLO CON(C)C(=O)C1CC[NH+](Cn2c(=O)oc3cc(Br)ccc32)CC1 ZINC000812292848 653420518 /nfs/dbraw/zinc/42/05/18/653420518.db2.gz LRGGPGABYFSKSB-UHFFFAOYSA-N 1 2 398.257 2.046 20 0 GEADLO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(Br)nc1F ZINC000859216099 653424485 /nfs/dbraw/zinc/42/44/85/653424485.db2.gz FFWXNGHPOBGKMO-VIFPVBQESA-N 1 2 380.283 2.134 20 0 GEADLO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(Br)nc1F ZINC000859216099 653424487 /nfs/dbraw/zinc/42/44/87/653424487.db2.gz FFWXNGHPOBGKMO-VIFPVBQESA-N 1 2 380.283 2.134 20 0 GEADLO C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)c1nnnn1C1CC1 ZINC000859276927 653432052 /nfs/dbraw/zinc/43/20/52/653432052.db2.gz NEOJMVMRBYCCSA-LKFCYVNXSA-N 1 2 391.273 2.375 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)c1cccc(Br)c1 ZINC000812552491 653435203 /nfs/dbraw/zinc/43/52/03/653435203.db2.gz RBIWKFJGUXDAJC-RISCZKNCSA-N 1 2 380.242 2.107 20 0 GEADLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1Br ZINC000876738957 653445528 /nfs/dbraw/zinc/44/55/28/653445528.db2.gz MOHQSOFUQKNEEI-MNOVXSKESA-N 1 2 392.315 2.489 20 0 GEADLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1Br ZINC000876738957 653445529 /nfs/dbraw/zinc/44/55/29/653445529.db2.gz MOHQSOFUQKNEEI-MNOVXSKESA-N 1 2 392.315 2.489 20 0 GEADLO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(Br)nc1F ZINC000859347117 653446220 /nfs/dbraw/zinc/44/62/20/653446220.db2.gz KYSJNSJLQDUSSB-NSHDSACASA-N 1 2 392.294 2.278 20 0 GEADLO O=S(=O)(NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(Br)nc1F ZINC000859347117 653446222 /nfs/dbraw/zinc/44/62/22/653446222.db2.gz KYSJNSJLQDUSSB-NSHDSACASA-N 1 2 392.294 2.278 20 0 GEADLO Cc1ccnc(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1Br ZINC000876790821 653448745 /nfs/dbraw/zinc/44/87/45/653448745.db2.gz YWXPPNLZYFRXFO-OAHLLOKOSA-N 1 2 395.345 2.281 20 0 GEADLO Cc1cnc(Br)c(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000812971862 653449056 /nfs/dbraw/zinc/44/90/56/653449056.db2.gz VTMVPBVGWWAUDF-GFCCVEGCSA-N 1 2 392.257 2.151 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C2SCCS2)cc1 ZINC000779568164 653505654 /nfs/dbraw/zinc/50/56/54/653505654.db2.gz ZGFYHOASVXOEKK-CQSZACIVSA-N 1 2 377.491 2.333 20 0 GEADLO C[NH+]1CCN(c2ccc(N[C@@H]3CCCNC(=O)C3)cc2Br)CC1 ZINC000877467999 653524694 /nfs/dbraw/zinc/52/46/94/653524694.db2.gz VVXCAIFRVJMEPQ-CYBMUJFWSA-N 1 2 381.318 2.282 20 0 GEADLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(Br)cnc1F ZINC000860128108 653619773 /nfs/dbraw/zinc/61/97/73/653619773.db2.gz AWDWZFHLUXVADN-KGLIPLIRSA-N 1 2 386.265 2.356 20 0 GEADLO CONC(=O)C1CC[NH+](Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000877786084 653619913 /nfs/dbraw/zinc/61/99/13/653619913.db2.gz TYGMTYQGJJUIHH-UHFFFAOYSA-N 1 2 381.274 2.295 20 0 GEADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000877799903 653621132 /nfs/dbraw/zinc/62/11/32/653621132.db2.gz UWWNTHKMSRGELM-JHJVBQTASA-N 1 2 389.327 2.359 20 0 GEADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000877799903 653621134 /nfs/dbraw/zinc/62/11/34/653621134.db2.gz UWWNTHKMSRGELM-JHJVBQTASA-N 1 2 389.327 2.359 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CCc2ccccc2Br)CC1 ZINC000877896826 653622614 /nfs/dbraw/zinc/62/26/14/653622614.db2.gz LQGPLGNBLQEYCL-AWEZNQCLSA-N 1 2 380.330 2.276 20 0 GEADLO O=C(NCC[C@@H]1CCCS1(=O)=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000878011124 653626341 /nfs/dbraw/zinc/62/63/41/653626341.db2.gz WQZUQPBFDJNJGI-AWEZNQCLSA-N 1 2 386.543 2.218 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2cn(C(C)(C)C)nc2Br)CC1 ZINC000780493886 653626750 /nfs/dbraw/zinc/62/67/50/653626750.db2.gz FUZJXKBBLXGRHK-UHFFFAOYSA-N 1 2 387.322 2.195 20 0 GEADLO COc1ccccc1C[NH+]1CCN(C[C@@H](O)c2cc(Br)no2)CC1 ZINC000878048248 653627252 /nfs/dbraw/zinc/62/72/52/653627252.db2.gz YXZXSAVRZOHMAL-CQSZACIVSA-N 1 2 396.285 2.297 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(Cl)c3nonc32)C1 ZINC000814388612 653629299 /nfs/dbraw/zinc/62/92/99/653629299.db2.gz NGIAOMRIRMZKLC-CYBMUJFWSA-N 1 2 378.841 2.341 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(Cl)c3nonc32)C1 ZINC000814388612 653629301 /nfs/dbraw/zinc/62/93/01/653629301.db2.gz NGIAOMRIRMZKLC-CYBMUJFWSA-N 1 2 378.841 2.341 20 0 GEADLO CCn1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000838795396 653630092 /nfs/dbraw/zinc/63/00/92/653630092.db2.gz CATXDCGFCIWKPW-GFCCVEGCSA-N 1 2 393.289 2.306 20 0 GEADLO CCn1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000838795396 653630094 /nfs/dbraw/zinc/63/00/94/653630094.db2.gz CATXDCGFCIWKPW-GFCCVEGCSA-N 1 2 393.289 2.306 20 0 GEADLO COC(=O)c1cccc(Br)c1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000814634302 653637730 /nfs/dbraw/zinc/63/77/30/653637730.db2.gz AOFMDORFBMIIHV-YGRLFVJLSA-N 1 2 383.242 2.166 20 0 GEADLO COC(=O)c1cccc(Br)c1C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000814634302 653637733 /nfs/dbraw/zinc/63/77/33/653637733.db2.gz AOFMDORFBMIIHV-YGRLFVJLSA-N 1 2 383.242 2.166 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000781965219 653652517 /nfs/dbraw/zinc/65/25/17/653652517.db2.gz RACLKDRROILSNL-LLVKDONJSA-N 1 2 389.315 2.067 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000781965219 653652518 /nfs/dbraw/zinc/65/25/18/653652518.db2.gz RACLKDRROILSNL-LLVKDONJSA-N 1 2 389.315 2.067 20 0 GEADLO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000782048781 653654347 /nfs/dbraw/zinc/65/43/47/653654347.db2.gz NMWBSGQRGZPKAH-IZHWHUGBSA-N 1 2 393.336 2.204 20 0 GEADLO C[N@H+](C[C@H](O)c1cccc(Br)c1)CC1(CS(C)(=O)=O)CC1 ZINC000839642238 653659337 /nfs/dbraw/zinc/65/93/37/653659337.db2.gz PZXNIJLENIGHMI-AWEZNQCLSA-N 1 2 376.316 2.239 20 0 GEADLO C[N@@H+](C[C@H](O)c1cccc(Br)c1)CC1(CS(C)(=O)=O)CC1 ZINC000839642238 653659340 /nfs/dbraw/zinc/65/93/40/653659340.db2.gz PZXNIJLENIGHMI-AWEZNQCLSA-N 1 2 376.316 2.239 20 0 GEADLO O=Cc1cc(Br)cc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000861546982 653661314 /nfs/dbraw/zinc/66/13/14/653661314.db2.gz PXSHAKHIHZUYKS-AWEZNQCLSA-N 1 2 395.297 2.446 20 0 GEADLO OC[C@@H]1CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)[C@@H]1CO ZINC000879361662 653666859 /nfs/dbraw/zinc/66/68/59/653666859.db2.gz LAVUZKJKRQIOGV-GXSJLCMTSA-N 1 2 388.287 2.126 20 0 GEADLO OC[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)[C@@H]1CO ZINC000879361662 653666860 /nfs/dbraw/zinc/66/68/60/653666860.db2.gz LAVUZKJKRQIOGV-GXSJLCMTSA-N 1 2 388.287 2.126 20 0 GEADLO O[C@@H](CN1CC[NH+](CCc2cnccn2)CC1)c1ccc(Br)cc1 ZINC000879421019 653668621 /nfs/dbraw/zinc/66/86/21/653668621.db2.gz UOCMVWUDEMQJEE-SFHVURJKSA-N 1 2 391.313 2.133 20 0 GEADLO NS(=O)(=O)c1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000879678798 653678769 /nfs/dbraw/zinc/67/87/69/653678769.db2.gz XHKCKNFXVAQMSN-MRXNPFEDSA-N 1 2 384.860 2.218 20 0 GEADLO NS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000879678798 653678770 /nfs/dbraw/zinc/67/87/70/653678770.db2.gz XHKCKNFXVAQMSN-MRXNPFEDSA-N 1 2 384.860 2.218 20 0 GEADLO NS(=O)(=O)c1cccc2c1CC[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C2 ZINC000879677470 653678774 /nfs/dbraw/zinc/67/87/74/653678774.db2.gz LQIUSDYVAVAFIE-INIZCTEOSA-N 1 2 384.860 2.218 20 0 GEADLO NS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C2 ZINC000879677470 653678777 /nfs/dbraw/zinc/67/87/77/653678777.db2.gz LQIUSDYVAVAFIE-INIZCTEOSA-N 1 2 384.860 2.218 20 0 GEADLO Cc1cc(CN2CC[NH+](CC[S@](C)=O)CC2)c(Br)cc1F ZINC000862248677 653681682 /nfs/dbraw/zinc/68/16/82/653681682.db2.gz PJFDGCIYLQLVFJ-NRFANRHFSA-N 1 2 377.323 2.393 20 0 GEADLO NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000783690831 653682852 /nfs/dbraw/zinc/68/28/52/653682852.db2.gz NBYQPEGCQKLQNW-UHFFFAOYSA-N 1 2 378.237 2.084 20 0 GEADLO CCOc1cc(NC2CC[NH+](Cc3cn(C)nc3Br)CC2)ncn1 ZINC000862335122 653683789 /nfs/dbraw/zinc/68/37/89/653683789.db2.gz XQDMCKXWWPUPIA-UHFFFAOYSA-N 1 2 395.305 2.448 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000840388402 653684479 /nfs/dbraw/zinc/68/44/79/653684479.db2.gz BGKRFVGXHZDGJY-OAHLLOKOSA-N 1 2 381.274 2.100 20 0 GEADLO O=C(NCc1cnc(Br)cn1)c1ccccc1C[NH+]1CCOCC1 ZINC000816530064 653686999 /nfs/dbraw/zinc/68/69/99/653686999.db2.gz RNHWUHUQCNHHBB-UHFFFAOYSA-N 1 2 391.269 2.001 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C2 ZINC000816563722 653687775 /nfs/dbraw/zinc/68/77/75/653687775.db2.gz IEUHSNYDPGOGEZ-LLVKDONJSA-N 1 2 383.279 2.360 20 0 GEADLO CONC(=O)C1CC[NH+](Cc2c(Br)cccc2C(=O)OC)CC1 ZINC000879925784 653687890 /nfs/dbraw/zinc/68/78/90/653687890.db2.gz HLCVWDUTBQJHPC-UHFFFAOYSA-N 1 2 385.258 2.125 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(Br)ncc1Cl ZINC000840523705 653688075 /nfs/dbraw/zinc/68/80/75/653688075.db2.gz QCBZQBPARFFCAI-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO Cn1cc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(Br)n1 ZINC000880038856 653693179 /nfs/dbraw/zinc/69/31/79/653693179.db2.gz BDRBRXFFKXRNES-UHFFFAOYSA-N 1 2 379.262 2.500 20 0 GEADLO CC(=O)N1CC[NH+](CCNc2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000784572533 653697015 /nfs/dbraw/zinc/69/70/15/653697015.db2.gz XWQXFSBLLMTPPN-UHFFFAOYSA-N 1 2 394.273 2.075 20 0 GEADLO CN1CCC[C@H]2[C@H]1CC[N@@H+]2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000880129463 653698617 /nfs/dbraw/zinc/69/86/17/653698617.db2.gz JNUDTCYQFGUEOF-CVEARBPZSA-N 1 2 387.343 2.391 20 0 GEADLO CN1CCC[C@H]2[C@H]1CC[N@H+]2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000880129463 653698618 /nfs/dbraw/zinc/69/86/18/653698618.db2.gz JNUDTCYQFGUEOF-CVEARBPZSA-N 1 2 387.343 2.391 20 0 GEADLO C[NH+](C)C[C@H](NC(=S)NCCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000863229895 653704409 /nfs/dbraw/zinc/70/44/09/653704409.db2.gz ALVVKPNLBSFZEA-ZDUSSCGKSA-N 1 2 398.381 2.105 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCc3ccsc3[C@@H]2C)cc1S(N)(=O)=O ZINC000880377961 653705003 /nfs/dbraw/zinc/70/50/03/653705003.db2.gz JWMHFSGTVBBFDS-LBPRGKRZSA-N 1 2 379.507 2.262 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCc3ccsc3[C@@H]2C)cc1S(N)(=O)=O ZINC000880377961 653705006 /nfs/dbraw/zinc/70/50/06/653705006.db2.gz JWMHFSGTVBBFDS-LBPRGKRZSA-N 1 2 379.507 2.262 20 0 GEADLO CC1(C)[C@H](NC(=O)c2ccc(Br)c(O)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000880497392 653706849 /nfs/dbraw/zinc/70/68/49/653706849.db2.gz ZAZWNRKSXDDSOH-CABCVRRESA-N 1 2 383.286 2.384 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c(F)cc1Cl ZINC000841508340 653723204 /nfs/dbraw/zinc/72/32/04/653723204.db2.gz AJUZMMJKEGCQLE-MNOVXSKESA-N 1 2 392.880 2.369 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c(F)cc1Cl ZINC000841508340 653723206 /nfs/dbraw/zinc/72/32/06/653723206.db2.gz AJUZMMJKEGCQLE-MNOVXSKESA-N 1 2 392.880 2.369 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)C2=Cc3cc(Br)ccc3OC2)c1 ZINC000841536511 653729450 /nfs/dbraw/zinc/72/94/50/653729450.db2.gz CPIMIZYHDUALSF-UHFFFAOYSA-N 1 2 398.282 2.078 20 0 GEADLO Cn1cc(Cn2cc(C[NH2+]Cc3ccc(F)cc3)nn2)c(Br)n1 ZINC000881390709 653729510 /nfs/dbraw/zinc/72/95/10/653729510.db2.gz YJCOBRGFQKQGBA-UHFFFAOYSA-N 1 2 379.237 2.251 20 0 GEADLO COC(C[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)OC ZINC000787315203 653737000 /nfs/dbraw/zinc/73/70/00/653737000.db2.gz YESFCQRJLJPZSU-UHFFFAOYSA-N 1 2 377.268 2.135 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)c3csnn3)cc2Br)CC1 ZINC000787536000 653739800 /nfs/dbraw/zinc/73/98/00/653739800.db2.gz MRPVZFUULORUAB-UHFFFAOYSA-N 1 2 382.287 2.305 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)C[C@H](C)O1 ZINC000881812228 653741090 /nfs/dbraw/zinc/74/10/90/653741090.db2.gz YRZFLLWYRUXSKG-BARDWOONSA-N 1 2 399.384 2.474 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)C[C@H](C)O1 ZINC000881812228 653741091 /nfs/dbraw/zinc/74/10/91/653741091.db2.gz YRZFLLWYRUXSKG-BARDWOONSA-N 1 2 399.384 2.474 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1csc(-c2ccco2)n1 ZINC000819167536 653744936 /nfs/dbraw/zinc/74/49/36/653744936.db2.gz DFCXSKTWPKYQNL-UHFFFAOYSA-N 1 2 386.495 2.249 20 0 GEADLO CC[C@@H](C[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)OC ZINC000842149297 653746663 /nfs/dbraw/zinc/74/66/63/653746663.db2.gz YZIHOSOWGAQLLZ-ZDUSSCGKSA-N 1 2 380.432 2.437 20 0 GEADLO CC[C@H](C[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)OC ZINC000842149296 653746707 /nfs/dbraw/zinc/74/67/07/653746707.db2.gz YZIHOSOWGAQLLZ-CYBMUJFWSA-N 1 2 380.432 2.437 20 0 GEADLO CS(=O)(=O)c1cccnc1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000819271992 653747815 /nfs/dbraw/zinc/74/78/15/653747815.db2.gz ZFOSEGLCBQEZBB-AWEZNQCLSA-N 1 2 385.283 2.071 20 0 GEADLO CCc1cc2c(nc(C)nc2NC2CC[NH+](CCS(C)(=O)=O)CC2)s1 ZINC000881962248 653753424 /nfs/dbraw/zinc/75/34/24/653753424.db2.gz WIQJMUBCEHNKRG-UHFFFAOYSA-N 1 2 382.555 2.483 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000865156684 653755375 /nfs/dbraw/zinc/75/53/75/653755375.db2.gz NHAYCSPQHWSDPY-AIMAZDRCSA-N 1 2 394.313 2.032 20 0 GEADLO Cn1nc(I)cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000865176069 653756118 /nfs/dbraw/zinc/75/61/18/653756118.db2.gz LGKVLXKULLJAOL-UHFFFAOYSA-N 1 2 399.236 2.042 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000882030177 653758248 /nfs/dbraw/zinc/75/82/48/653758248.db2.gz RMTXISHPYWUAQC-INMHGKMJSA-N 1 2 384.592 2.332 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000882030177 653758251 /nfs/dbraw/zinc/75/82/51/653758251.db2.gz RMTXISHPYWUAQC-INMHGKMJSA-N 1 2 384.592 2.332 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)ccc1Br ZINC000788884487 653765432 /nfs/dbraw/zinc/76/54/32/653765432.db2.gz JVSALMCIDDIJMR-NSHDSACASA-N 1 2 375.288 2.024 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)ccc1Br ZINC000788884487 653765434 /nfs/dbraw/zinc/76/54/34/653765434.db2.gz JVSALMCIDDIJMR-NSHDSACASA-N 1 2 375.288 2.024 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCSCc1ccnc(Cl)c1 ZINC000789179288 653769905 /nfs/dbraw/zinc/76/99/05/653769905.db2.gz LRZAJULCUAPQHX-AWEZNQCLSA-N 1 2 386.949 2.330 20 0 GEADLO O=S(=O)(/C=C\c1ccccc1Br)N1CC[NH2+]C[C@H]1C(F)F ZINC000842865375 653770950 /nfs/dbraw/zinc/77/09/50/653770950.db2.gz VGARIFHYRYUJMO-JECSTDCCSA-N 1 2 381.242 2.289 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000865868405 653778093 /nfs/dbraw/zinc/77/80/93/653778093.db2.gz JEFVJMDACWGVOL-LJQANCHMSA-N 1 2 389.262 2.052 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)COc1ccc(F)c(Cl)c1 ZINC000842963290 653774782 /nfs/dbraw/zinc/77/47/82/653774782.db2.gz KPOXJFVKOBLZBG-GXTWGEPZSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)COc1ccc(F)c(Cl)c1 ZINC000842963290 653774786 /nfs/dbraw/zinc/77/47/86/653774786.db2.gz KPOXJFVKOBLZBG-GXTWGEPZSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)COc1ccc(F)cc1Cl ZINC000842962505 653774845 /nfs/dbraw/zinc/77/48/45/653774845.db2.gz HWGMGQFEPNLICB-GXTWGEPZSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)COc1ccc(F)cc1Cl ZINC000842962505 653774849 /nfs/dbraw/zinc/77/48/49/653774849.db2.gz HWGMGQFEPNLICB-GXTWGEPZSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)COc1ccc(Cl)c(F)c1 ZINC000842968196 653775479 /nfs/dbraw/zinc/77/54/79/653775479.db2.gz UTQRRNOKJQUFDV-GXTWGEPZSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)COc1ccc(Cl)c(F)c1 ZINC000842968196 653775482 /nfs/dbraw/zinc/77/54/82/653775482.db2.gz UTQRRNOKJQUFDV-GXTWGEPZSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(Br)oc1C ZINC000842969846 653775834 /nfs/dbraw/zinc/77/58/34/653775834.db2.gz XXZSCRHDWAIVJZ-JQWIXIFHSA-N 1 2 376.247 2.243 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(Br)oc1C ZINC000842969846 653775838 /nfs/dbraw/zinc/77/58/38/653775838.db2.gz XXZSCRHDWAIVJZ-JQWIXIFHSA-N 1 2 376.247 2.243 20 0 GEADLO O=c1[nH]c(C[NH2+]Cc2cccc(I)c2)nc2c1COCC2 ZINC000865866261 653777559 /nfs/dbraw/zinc/77/75/59/653777559.db2.gz IMGMIGDWGCIDKI-UHFFFAOYSA-N 1 2 397.216 2.149 20 0 GEADLO COc1ccc(C[NH2+]Cc2c(I)cnn2C)c(OC)c1 ZINC000865867637 653777843 /nfs/dbraw/zinc/77/78/43/653777843.db2.gz DXEHYJJCCIBREQ-UHFFFAOYSA-N 1 2 387.221 2.332 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)NCC1(c2cccc(Br)c2)CC1 ZINC000865894144 653778909 /nfs/dbraw/zinc/77/89/09/653778909.db2.gz PFFTUZDHUUAMAG-GORDUTHDSA-N 1 2 379.298 2.485 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(Br)no1 ZINC000865896935 653779132 /nfs/dbraw/zinc/77/91/32/653779132.db2.gz SRUYATXMUPOARD-CYBMUJFWSA-N 1 2 380.242 2.068 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(Br)no1 ZINC000865896935 653779134 /nfs/dbraw/zinc/77/91/34/653779134.db2.gz SRUYATXMUPOARD-CYBMUJFWSA-N 1 2 380.242 2.068 20 0 GEADLO CC(C)(c1noc(C2([NH3+])CC2)n1)S(=O)(=O)c1ccc(Br)cc1 ZINC000843211874 653781608 /nfs/dbraw/zinc/78/16/08/653781608.db2.gz FCAGIJPWIWDYQC-UHFFFAOYSA-N 1 2 386.271 2.489 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)NCC1(c2ccccc2Br)CC1 ZINC000866031687 653784276 /nfs/dbraw/zinc/78/42/76/653784276.db2.gz JRAKHEBHUBFPNY-ZZXKWVIFSA-N 1 2 379.298 2.485 20 0 GEADLO COc1ccccc1[C@@H]1CSCCCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000882516500 653786234 /nfs/dbraw/zinc/78/62/34/653786234.db2.gz AFPWWGVHNQIBPS-INIZCTEOSA-N 1 2 381.523 2.402 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cn(C(C)(C)C)nc1Br ZINC000790132748 653787142 /nfs/dbraw/zinc/78/71/42/653787142.db2.gz QQYLQKXIJWUYIL-GFCCVEGCSA-N 1 2 387.322 2.193 20 0 GEADLO Cc1ccc(N(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)c(Br)c1 ZINC000821279798 653793588 /nfs/dbraw/zinc/79/35/88/653793588.db2.gz OQQHSNYBHYLUOH-UHFFFAOYSA-N 1 2 398.345 2.421 20 0 GEADLO CCc1cc2c(CC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)csc2s1 ZINC000866422848 653794412 /nfs/dbraw/zinc/79/44/12/653794412.db2.gz JNBSYBCWRRZGKE-AWEZNQCLSA-N 1 2 382.551 2.219 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc(Br)cnc1Br ZINC000821386517 653796809 /nfs/dbraw/zinc/79/68/09/653796809.db2.gz TYVWABYTYKBSRO-QMMMGPOBSA-N 1 2 386.047 2.158 20 0 GEADLO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc(Br)c(F)cc2O)C[C@@H]1C ZINC000844022424 653799266 /nfs/dbraw/zinc/79/92/66/653799266.db2.gz CMDVZQARDPVURU-PHIMTYICSA-N 1 2 389.265 2.475 20 0 GEADLO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc(Br)c(F)cc2O)C[C@@H]1C ZINC000844022424 653799269 /nfs/dbraw/zinc/79/92/69/653799269.db2.gz CMDVZQARDPVURU-PHIMTYICSA-N 1 2 389.265 2.475 20 0 GEADLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000882765435 653805769 /nfs/dbraw/zinc/80/57/69/653805769.db2.gz ZQWFMJTVNFSYAY-TZMCWYRMSA-N 1 2 376.906 2.126 20 0 GEADLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000882765435 653805772 /nfs/dbraw/zinc/80/57/72/653805772.db2.gz ZQWFMJTVNFSYAY-TZMCWYRMSA-N 1 2 376.906 2.126 20 0 GEADLO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000866616180 653806060 /nfs/dbraw/zinc/80/60/60/653806060.db2.gz ZQIJJQFCXYITOA-UHFFFAOYSA-N 1 2 389.265 2.259 20 0 GEADLO COCC[N@H+](CN1CC(c2ccc(Br)cc2)=CC1=O)[C@@H]1CCOC1 ZINC000844703088 653814606 /nfs/dbraw/zinc/81/46/06/653814606.db2.gz BQKSKPFOIUSJQM-QGZVFWFLSA-N 1 2 395.297 2.370 20 0 GEADLO COCC[N@@H+](CN1CC(c2ccc(Br)cc2)=CC1=O)[C@@H]1CCOC1 ZINC000844703088 653814608 /nfs/dbraw/zinc/81/46/08/653814608.db2.gz BQKSKPFOIUSJQM-QGZVFWFLSA-N 1 2 395.297 2.370 20 0 GEADLO O=S1(=O)C[C@H](C[NH2+]Cc2csc(C(F)(F)F)n2)Oc2ccccc21 ZINC000895090271 653817156 /nfs/dbraw/zinc/81/71/56/653817156.db2.gz KGFFBIUYKKSYSM-JTQLQIEISA-N 1 2 378.397 2.486 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ncc(Br)cc2O)C1 ZINC000895122685 653819428 /nfs/dbraw/zinc/81/94/28/653819428.db2.gz RXGMXMJBAJCHPC-GFCCVEGCSA-N 1 2 382.180 2.050 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(Br)cc2O)C1 ZINC000895122685 653819431 /nfs/dbraw/zinc/81/94/31/653819431.db2.gz RXGMXMJBAJCHPC-GFCCVEGCSA-N 1 2 382.180 2.050 20 0 GEADLO Cc1nc(NCC[C@]2(O)C(=O)Nc3ccccc32)c(Br)c(C)[nH+]1 ZINC000895125002 653819788 /nfs/dbraw/zinc/81/97/88/653819788.db2.gz NNWIGSJMKVGEON-MRXNPFEDSA-N 1 2 377.242 2.498 20 0 GEADLO Nc1cc(COC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc[nH+]1 ZINC000791735733 653822306 /nfs/dbraw/zinc/82/23/06/653822306.db2.gz YNDWFYISKJFAAU-ZDUSSCGKSA-N 1 2 381.479 2.012 20 0 GEADLO Nc1cc(COC(=O)c2ccc3ncc(I)n3c2)cc[nH+]1 ZINC000791992716 653831356 /nfs/dbraw/zinc/83/13/56/653831356.db2.gz YSSVWGJWAMAHIK-UHFFFAOYSA-N 1 2 394.172 2.273 20 0 GEADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N(CCO)Cc1cccnc1Cl ZINC000822606696 653833588 /nfs/dbraw/zinc/83/35/88/653833588.db2.gz KXPINALJRKOLRK-LBPRGKRZSA-N 1 2 376.766 2.446 20 0 GEADLO CC1(C)C[C@@H]([NH2+]Cc2nnc3n2CCNC3=O)c2cc(Br)ccc21 ZINC000883303986 653834876 /nfs/dbraw/zinc/83/48/76/653834876.db2.gz KOWIBRRYCDVCOV-CYBMUJFWSA-N 1 2 390.285 2.296 20 0 GEADLO C[NH+](C)Cc1csc(CNc2nc(N)nc(C(F)(F)C(F)(F)F)n2)n1 ZINC000895479003 653837352 /nfs/dbraw/zinc/83/73/52/653837352.db2.gz KWHJVGDXQODQIT-UHFFFAOYSA-N 1 2 383.350 2.238 20 0 GEADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000792257012 653838865 /nfs/dbraw/zinc/83/88/65/653838865.db2.gz VGYQKNUZBINICY-OWJWWREXSA-N 1 2 393.336 2.204 20 0 GEADLO CS(=O)(=O)c1ccc2ncnc(N[C@H]3CCC[N@@H+]4CCSC[C@H]34)c2c1 ZINC000895568807 653841352 /nfs/dbraw/zinc/84/13/52/653841352.db2.gz KIZVIOKKIIEUGX-JKSUJKDBSA-N 1 2 378.523 2.025 20 0 GEADLO CS(=O)(=O)c1ccc2ncnc(N[C@H]3CCC[N@H+]4CCSC[C@H]34)c2c1 ZINC000895568807 653841354 /nfs/dbraw/zinc/84/13/54/653841354.db2.gz KIZVIOKKIIEUGX-JKSUJKDBSA-N 1 2 378.523 2.025 20 0 GEADLO C[C@H](CC(=O)OCc1nnnn1-c1ccccc1Br)n1cc[nH+]c1 ZINC000845280884 653842395 /nfs/dbraw/zinc/84/23/95/653842395.db2.gz IQCUDTIKTQDLIE-LLVKDONJSA-N 1 2 391.229 2.316 20 0 GEADLO COc1cc(/C=C/C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc(Br)c1O ZINC000822952258 653847222 /nfs/dbraw/zinc/84/72/22/653847222.db2.gz PTTDBAHFZFWQMT-AAOUONPWSA-N 1 2 399.285 2.013 20 0 GEADLO COc1cc(/C=C/C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc(Br)c1O ZINC000822952258 653847223 /nfs/dbraw/zinc/84/72/23/653847223.db2.gz PTTDBAHFZFWQMT-AAOUONPWSA-N 1 2 399.285 2.013 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000866920844 653849898 /nfs/dbraw/zinc/84/98/98/653849898.db2.gz XTJFYAKIMFLVHY-WBVHZDCISA-N 1 2 387.571 2.239 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000866920844 653849901 /nfs/dbraw/zinc/84/99/01/653849901.db2.gz XTJFYAKIMFLVHY-WBVHZDCISA-N 1 2 387.571 2.239 20 0 GEADLO C[C@H](CC(=O)OCCc1cnc2c(Br)cnn2c1)n1cc[nH+]c1 ZINC000845577544 653855638 /nfs/dbraw/zinc/85/56/38/653855638.db2.gz WAGMODZUBADEHO-LLVKDONJSA-N 1 2 378.230 2.425 20 0 GEADLO OC1CC[NH+](Cc2cn(CCOc3ccccc3Br)nn2)CC1 ZINC000883991140 653859717 /nfs/dbraw/zinc/85/97/17/653859717.db2.gz RZVXXBQYLSTYBU-UHFFFAOYSA-N 1 2 381.274 2.076 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(C)=Cc1ccc(Br)o1 ZINC000867011703 653865238 /nfs/dbraw/zinc/86/52/38/653865238.db2.gz VIXUKEPEARWQDY-LRAPTIAOSA-N 1 2 382.214 2.069 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(C)=Cc1ccc(Br)o1 ZINC000867011703 653865239 /nfs/dbraw/zinc/86/52/39/653865239.db2.gz VIXUKEPEARWQDY-LRAPTIAOSA-N 1 2 382.214 2.069 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)OCCc1c[nH+]cn1C ZINC000793251546 653872114 /nfs/dbraw/zinc/87/21/14/653872114.db2.gz GEEHMQYGGZKAHR-SECBINFHSA-N 1 2 386.271 2.148 20 0 GEADLO CN1CC[NH+](CCCS(=O)(=O)Oc2ccccc2-c2nccs2)CC1 ZINC000867095598 653877653 /nfs/dbraw/zinc/87/76/53/653877653.db2.gz UHUTVSJDLGIIER-UHFFFAOYSA-N 1 2 381.523 2.156 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000793587604 653880781 /nfs/dbraw/zinc/88/07/81/653880781.db2.gz IAEAXCYYIGXRIM-RUZDIDTESA-N 1 2 380.945 2.081 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000793620353 653881083 /nfs/dbraw/zinc/88/10/83/653881083.db2.gz OFVMSUGQCJRYCY-RHSMWYFYSA-N 1 2 387.933 2.207 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000793620353 653881085 /nfs/dbraw/zinc/88/10/85/653881085.db2.gz OFVMSUGQCJRYCY-RHSMWYFYSA-N 1 2 387.933 2.207 20 0 GEADLO CN1CC[NH+](CCCS(=O)(=O)Oc2cc(Cl)cc3cccnc32)CC1 ZINC000867127962 653884274 /nfs/dbraw/zinc/88/42/74/653884274.db2.gz YPKMQNXKEOUZNJ-UHFFFAOYSA-N 1 2 383.901 2.234 20 0 GEADLO Cc1c[nH+]c(N[C@H](CCO)C(F)(F)F)nc1N[C@H](CCO)C(F)(F)F ZINC000884835030 653890684 /nfs/dbraw/zinc/89/06/84/653890684.db2.gz JKEIJYUMBBUVDF-RKDXNWHRSA-N 1 2 376.301 2.235 20 0 GEADLO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000896754681 653893761 /nfs/dbraw/zinc/89/37/61/653893761.db2.gz GRSGEZJQNNFFKV-MLGOLLRUSA-N 1 2 395.297 2.331 20 0 GEADLO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000896754681 653893762 /nfs/dbraw/zinc/89/37/62/653893762.db2.gz GRSGEZJQNNFFKV-MLGOLLRUSA-N 1 2 395.297 2.331 20 0 GEADLO Cc1[nH]c(CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)[nH+]c1C ZINC000896928192 653899661 /nfs/dbraw/zinc/89/96/61/653899661.db2.gz RTWRDDQTGRSCDD-UHFFFAOYSA-N 1 2 382.511 2.193 20 0 GEADLO N=C1NC(=O)C(CC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)S1 ZINC000846481290 653900267 /nfs/dbraw/zinc/90/02/67/653900267.db2.gz ICZRJBDOZCUSJV-CQSZACIVSA-N 1 2 378.523 2.369 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Cc2ccc(Br)cc2C)CC1 ZINC000846616935 653904578 /nfs/dbraw/zinc/90/45/78/653904578.db2.gz IPONWBOYHPCXEB-UHFFFAOYSA-N 1 2 399.329 2.107 20 0 GEADLO O=C1Nc2ncc(Br)cc2C[C@@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000897223859 653911183 /nfs/dbraw/zinc/91/11/83/653911183.db2.gz ABQKJZQHQCJRTB-LBPRGKRZSA-N 1 2 389.257 2.210 20 0 GEADLO O=C1Nc2ncc(Br)cc2C[C@@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000897223859 653911188 /nfs/dbraw/zinc/91/11/88/653911188.db2.gz ABQKJZQHQCJRTB-LBPRGKRZSA-N 1 2 389.257 2.210 20 0 GEADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000794653825 653915767 /nfs/dbraw/zinc/91/57/67/653915767.db2.gz BAMWDEJTLXOVIW-KOLCDFICSA-N 1 2 375.372 2.269 20 0 GEADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000794653825 653915772 /nfs/dbraw/zinc/91/57/72/653915772.db2.gz BAMWDEJTLXOVIW-KOLCDFICSA-N 1 2 375.372 2.269 20 0 GEADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](CO)c2cccc(Br)c2)[nH]n1 ZINC000897329322 653916730 /nfs/dbraw/zinc/91/67/30/653916730.db2.gz JXCRZIXXNUMNTO-CVEARBPZSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](CO)c2cccc(Br)c2)[nH]n1 ZINC000897329322 653916731 /nfs/dbraw/zinc/91/67/31/653916731.db2.gz JXCRZIXXNUMNTO-CVEARBPZSA-N 1 2 393.285 2.402 20 0 GEADLO COc1cccc([C@H]2CN(C(=O)c3cc(N)nc(Br)c3)CC[NH2+]2)c1 ZINC000825207098 653920931 /nfs/dbraw/zinc/92/09/31/653920931.db2.gz CIVUJYDISRRINY-CQSZACIVSA-N 1 2 391.269 2.222 20 0 GEADLO COc1cc(Br)ccc1CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867365865 653922864 /nfs/dbraw/zinc/92/28/64/653922864.db2.gz CEZILTFBNHQWRT-HYXAFXHYSA-N 1 2 397.313 2.395 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1nc(Cl)sc1Cl ZINC000847476656 653930071 /nfs/dbraw/zinc/93/00/71/653930071.db2.gz DWRCFQDLHVOBKY-UHFFFAOYSA-N 1 2 376.269 2.231 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CCOC)c1 ZINC000795096611 653930455 /nfs/dbraw/zinc/93/04/55/653930455.db2.gz ZYDKYGCSBIRBFO-CQSZACIVSA-N 1 2 388.917 2.322 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCC[N@H+]2CCOC)c1 ZINC000795096611 653930458 /nfs/dbraw/zinc/93/04/58/653930458.db2.gz ZYDKYGCSBIRBFO-CQSZACIVSA-N 1 2 388.917 2.322 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N[C@H]1CCn2c[nH+]cc21 ZINC000825512461 653931991 /nfs/dbraw/zinc/93/19/91/653931991.db2.gz FFPIESZHABGGTI-YPMHNXCESA-N 1 2 375.226 2.333 20 0 GEADLO Cc1ccc(Br)c2[nH]c(C(=O)N[C@@H](CO)c3c[nH+]cn3C)cc21 ZINC000825532445 653932725 /nfs/dbraw/zinc/93/27/25/653932725.db2.gz WBITZLXXWVJSDX-ZDUSSCGKSA-N 1 2 377.242 2.436 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000847556792 653934162 /nfs/dbraw/zinc/93/41/62/653934162.db2.gz IRJXXTVTEIQYEE-GHMZBOCLSA-N 1 2 376.400 2.335 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C[N@H+]1C1CC1 ZINC000847556792 653934167 /nfs/dbraw/zinc/93/41/67/653934167.db2.gz IRJXXTVTEIQYEE-GHMZBOCLSA-N 1 2 376.400 2.335 20 0 GEADLO Cn1nc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1C(F)(F)F ZINC000898020628 653950070 /nfs/dbraw/zinc/95/00/70/653950070.db2.gz BGILWAUTINOXGX-UHFFFAOYSA-N 1 2 382.795 2.030 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2cc(Cl)ccc2Br)C1 ZINC000867563079 653951780 /nfs/dbraw/zinc/95/17/80/653951780.db2.gz FTPVXODANOKVNX-SNVBAGLBSA-N 1 2 384.679 2.142 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2cc(Cl)ccc2Br)C1 ZINC000867563079 653951787 /nfs/dbraw/zinc/95/17/87/653951787.db2.gz FTPVXODANOKVNX-SNVBAGLBSA-N 1 2 384.679 2.142 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CN1Cc2ccc(Br)cc2C1=O ZINC000795687329 653962977 /nfs/dbraw/zinc/96/29/77/653962977.db2.gz BOTGNXABEQWFLA-CJNGLKHVSA-N 1 2 394.313 2.157 20 0 GEADLO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CN1Cc2ccc(Br)cc2C1=O ZINC000795687329 653962981 /nfs/dbraw/zinc/96/29/81/653962981.db2.gz BOTGNXABEQWFLA-CJNGLKHVSA-N 1 2 394.313 2.157 20 0 GEADLO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CN1Cc2ccc(Br)cc2C1=O ZINC000795687329 653962985 /nfs/dbraw/zinc/96/29/85/653962985.db2.gz BOTGNXABEQWFLA-CJNGLKHVSA-N 1 2 394.313 2.157 20 0 GEADLO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2nc(Cl)ccc2Br)C1 ZINC000898349728 653964092 /nfs/dbraw/zinc/96/40/92/653964092.db2.gz CGHGBMBXZXRGMM-CABZTGNLSA-N 1 2 392.681 2.036 20 0 GEADLO C[C@H]1CCN(C(=O)NCc2ncc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000898391541 653967415 /nfs/dbraw/zinc/96/74/15/653967415.db2.gz ASRJYIQPCDBQEK-WCQYABFASA-N 1 2 379.262 2.228 20 0 GEADLO Cn1cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(Cl)n1 ZINC000827028330 653971277 /nfs/dbraw/zinc/97/12/77/653971277.db2.gz XIXOXMBGSNNXCH-UHFFFAOYSA-N 1 2 382.295 2.279 20 0 GEADLO CC(C)(C)OC(=O)N1CC(N2C[C@H]([NH2+]Cc3ncc(Cl)s3)CC2=O)C1 ZINC000898528382 653975526 /nfs/dbraw/zinc/97/55/26/653975526.db2.gz JCOGTLRMKWNIMI-SNVBAGLBSA-N 1 2 386.905 2.106 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)C[C@@H]1C ZINC000795903892 653976552 /nfs/dbraw/zinc/97/65/52/653976552.db2.gz PFBHZJAYHPKYBZ-QWRGUYRKSA-N 1 2 392.880 2.369 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)C[C@@H]1C ZINC000795903892 653976554 /nfs/dbraw/zinc/97/65/54/653976554.db2.gz PFBHZJAYHPKYBZ-QWRGUYRKSA-N 1 2 392.880 2.369 20 0 GEADLO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000886294830 653977906 /nfs/dbraw/zinc/97/79/06/653977906.db2.gz WBVZYYDNHJEHBN-OTYXRUKQSA-N 1 2 375.281 2.097 20 0 GEADLO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848513341 653985635 /nfs/dbraw/zinc/98/56/35/653985635.db2.gz KISYKEYYBVXJIV-GFCCVEGCSA-N 1 2 394.324 2.264 20 0 GEADLO Cc1c(Br)cccc1CS(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000848600200 653988400 /nfs/dbraw/zinc/98/84/00/653988400.db2.gz KYICOKIXJISFNN-GFCCVEGCSA-N 1 2 383.258 2.126 20 0 GEADLO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884154 653990504 /nfs/dbraw/zinc/99/05/04/653990504.db2.gz PITMJUBOBTYFGQ-ZDUSSCGKSA-N 1 2 391.269 2.296 20 0 GEADLO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898884153 653990560 /nfs/dbraw/zinc/99/05/60/653990560.db2.gz PITMJUBOBTYFGQ-CYBMUJFWSA-N 1 2 391.269 2.296 20 0 GEADLO COc1ccc(Br)cc1C1(C(=O)N[C@H](CO)c2c[nH+]cn2C)CC1 ZINC000898892358 653991391 /nfs/dbraw/zinc/99/13/91/653991391.db2.gz PRJHHOABFSZAEA-CYBMUJFWSA-N 1 2 394.269 2.073 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cccc(Br)c1Cl ZINC000899060093 653997927 /nfs/dbraw/zinc/99/79/27/653997927.db2.gz DKWJVZPCINOXCL-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cccc(Br)c1Cl ZINC000899060093 653997930 /nfs/dbraw/zinc/99/79/30/653997930.db2.gz DKWJVZPCINOXCL-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cccc(SC(F)(F)F)c1 ZINC000899064384 653998206 /nfs/dbraw/zinc/99/82/06/653998206.db2.gz XGDNZORAJCJFSN-UHFFFAOYSA-N 1 2 376.400 2.477 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cccc(SC(F)(F)F)c1 ZINC000899064384 653998209 /nfs/dbraw/zinc/99/82/09/653998209.db2.gz XGDNZORAJCJFSN-UHFFFAOYSA-N 1 2 376.400 2.477 20 0 GEADLO CCOC(=O)C1=C(C[NH2+][C@@H](C)c2ccc(Br)cn2)NC(=O)N[C@@H]1C ZINC000796497940 653999029 /nfs/dbraw/zinc/99/90/29/653999029.db2.gz HNVZBCJDDSNKAG-VHSXEESVSA-N 1 2 397.273 2.013 20 0 GEADLO O=C(N[C@H]1COc2cccc(Br)c2C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000828027411 654017066 /nfs/dbraw/zinc/01/70/66/654017066.db2.gz QZBFJBZGPCTCQR-NWDGAFQWSA-N 1 2 376.254 2.328 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000828027448 654017382 /nfs/dbraw/zinc/01/73/82/654017382.db2.gz ROBCRNZHHMRAPR-IJLUTSLNSA-N 1 2 376.254 2.406 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000868082204 654017404 /nfs/dbraw/zinc/01/74/04/654017404.db2.gz BJFKYSMDQRRMRZ-NSHDSACASA-N 1 2 380.316 2.286 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000868082203 654017465 /nfs/dbraw/zinc/01/74/65/654017465.db2.gz BJFKYSMDQRRMRZ-LLVKDONJSA-N 1 2 380.316 2.286 20 0 GEADLO CC(C)C[C@@H](C(=O)Nc1cnn(C)c1I)n1cc[nH+]c1 ZINC000887064003 654017631 /nfs/dbraw/zinc/01/76/31/654017631.db2.gz WUHHHIUXRAIQOL-NSHDSACASA-N 1 2 387.225 2.447 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)NCc1cc(F)c(F)cc1Br ZINC000868301670 654028741 /nfs/dbraw/zinc/02/87/41/654028741.db2.gz OZWNFIYMQHNSGK-UPHRSURJSA-N 1 2 375.213 2.232 20 0 GEADLO OC1(c2scnc2Br)CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000797525202 654034916 /nfs/dbraw/zinc/03/49/16/654034916.db2.gz FBDGEANQXCXVIL-GFCCVEGCSA-N 1 2 391.331 2.385 20 0 GEADLO Cn1ccc(C[NH+]2CCC(O)(c3scnc3Br)CC2)cc1=O ZINC000797524521 654034950 /nfs/dbraw/zinc/03/49/50/654034950.db2.gz RJJINAJIXZHLAU-UHFFFAOYSA-N 1 2 384.299 2.088 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc(Br)ncc1Br ZINC000868699001 654051004 /nfs/dbraw/zinc/05/10/04/654051004.db2.gz LVZXKBKMEAKOCO-ZETCQYMHSA-N 1 2 386.047 2.158 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCCC2SCCS2)CC1 ZINC000868788287 654056218 /nfs/dbraw/zinc/05/62/18/654056218.db2.gz UGFHFPKIFSTRRR-UHFFFAOYSA-N 1 2 389.587 2.288 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(S(N)(=O)=O)ccc2F)n1 ZINC000798320164 654058609 /nfs/dbraw/zinc/05/86/09/654058609.db2.gz FNXFXUZLWPGDQI-UHFFFAOYSA-N 1 2 386.474 2.024 20 0 GEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000798321497 654058658 /nfs/dbraw/zinc/05/86/58/654058658.db2.gz VKAJOISSWPKGDH-AWEZNQCLSA-N 1 2 384.889 2.029 20 0 GEADLO COC(=O)c1cc(Br)cc(NC(=O)/C=C/C[NH+]2CCOCC2)c1C ZINC000868895223 654061675 /nfs/dbraw/zinc/06/16/75/654061675.db2.gz PRPYCNHNJBGDGE-ONEGZZNKSA-N 1 2 397.269 2.371 20 0 GEADLO COc1ccc(CNC(=O)/C=C(/C)C[NH+]2CCOCC2)cc1Br ZINC000900498562 654067086 /nfs/dbraw/zinc/06/70/86/654067086.db2.gz LUYLKKYLNQJDLG-LCYFTJDESA-N 1 2 383.286 2.352 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1cc(O)ccc1Br)CC(F)(F)F ZINC000850364720 654073284 /nfs/dbraw/zinc/07/32/84/654073284.db2.gz QFLPZCQIPUUSGI-UHFFFAOYSA-N 1 2 376.194 2.221 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1cccc(O)c1Br)CC(F)(F)F ZINC000850365267 654073318 /nfs/dbraw/zinc/07/33/18/654073318.db2.gz DBRIWINADOXDOT-UHFFFAOYSA-N 1 2 376.194 2.221 20 0 GEADLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000829737369 654078576 /nfs/dbraw/zinc/07/85/76/654078576.db2.gz XVUXNXLYUYLILT-UHFFFAOYSA-N 1 2 396.738 2.460 20 0 GEADLO Cn1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c(Br)n1 ZINC000888406467 654081691 /nfs/dbraw/zinc/08/16/91/654081691.db2.gz BFOOVPBOYINNBX-UHFFFAOYSA-N 1 2 379.258 2.267 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[NH2+]C[C@@H]1C(F)F ZINC000850587902 654083868 /nfs/dbraw/zinc/08/38/68/654083868.db2.gz NJKIRMPRDABFRF-MRVPVSSYSA-N 1 2 394.749 2.466 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799120467 654084698 /nfs/dbraw/zinc/08/46/98/654084698.db2.gz LGZDCZXECVLCNA-HZPDHXFCSA-N 1 2 394.313 2.323 20 0 GEADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)[nH+]1 ZINC000799263091 654089516 /nfs/dbraw/zinc/08/95/16/654089516.db2.gz PKKBAZBMHYQXJC-UHFFFAOYSA-N 1 2 393.593 2.439 20 0 GEADLO CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000829999598 654090724 /nfs/dbraw/zinc/09/07/24/654090724.db2.gz KBSDHTJVOLFCLW-UHFFFAOYSA-N 1 2 376.360 2.316 20 0 GEADLO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000916452477 654095800 /nfs/dbraw/zinc/09/58/00/654095800.db2.gz BKRQQFIMCJFDAA-MCFWBGNESA-N 1 2 399.460 2.304 20 0 GEADLO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000916452477 654095805 /nfs/dbraw/zinc/09/58/05/654095805.db2.gz BKRQQFIMCJFDAA-MCFWBGNESA-N 1 2 399.460 2.304 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2nc(C3CCC3)cs2)CC1 ZINC000799445238 654096674 /nfs/dbraw/zinc/09/66/74/654096674.db2.gz FPSXWLWTSDNCJB-UHFFFAOYSA-N 1 2 386.543 2.041 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000869746134 654120191 /nfs/dbraw/zinc/12/01/91/654120191.db2.gz AGBWWKLZIOMUOP-PWDZSUCOSA-N 1 2 377.282 2.092 20 0 GEADLO C[C@@H](NC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F)[C@@H](C)[NH+]1CCOCC1 ZINC000889193589 654128526 /nfs/dbraw/zinc/12/85/26/654128526.db2.gz OTEPCJGIZHVKMT-RKDXNWHRSA-N 1 2 383.802 2.323 20 0 GEADLO COCC[NH+]1CCN(C(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1 ZINC000917629736 654129382 /nfs/dbraw/zinc/12/93/82/654129382.db2.gz XYQCEMFFAOQNFP-INIZCTEOSA-N 1 2 386.279 2.277 20 0 GEADLO Cn1nc(C(F)(F)F)c(NC(=O)NC(C)(C)C[NH+]2CCOCC2)c1Cl ZINC000889208853 654131754 /nfs/dbraw/zinc/13/17/54/654131754.db2.gz WGVLPVXWGNEMRJ-UHFFFAOYSA-N 1 2 383.802 2.325 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)Cc2ccc(I)cc2)CCO1 ZINC000800214243 654137695 /nfs/dbraw/zinc/13/76/95/654137695.db2.gz HIYWYGFECYBGTF-LBPRGKRZSA-N 1 2 389.233 2.098 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)Cc2ccc(I)cc2)CCO1 ZINC000800214243 654137701 /nfs/dbraw/zinc/13/77/01/654137701.db2.gz HIYWYGFECYBGTF-LBPRGKRZSA-N 1 2 389.233 2.098 20 0 GEADLO C[C@H](C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000870059908 654141665 /nfs/dbraw/zinc/14/16/65/654141665.db2.gz NRWZLAXMBWAORI-WMLDXEAASA-N 1 2 397.313 2.112 20 0 GEADLO O=C(CCSc1cccc(Cl)c1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870060356 654141911 /nfs/dbraw/zinc/14/19/11/654141911.db2.gz AXXMWLSNHTZBAB-INIZCTEOSA-N 1 2 384.929 2.382 20 0 GEADLO O=C(CCSc1ccccc1Cl)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870075899 654142541 /nfs/dbraw/zinc/14/25/41/654142541.db2.gz LLJHDINUQIRPEZ-OAHLLOKOSA-N 1 2 384.929 2.382 20 0 GEADLO O=C(NC[C@H](O)c1cccc(Br)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000800586911 654151444 /nfs/dbraw/zinc/15/14/44/654151444.db2.gz MMDUQEBBYGVKML-INIZCTEOSA-N 1 2 387.237 2.493 20 0 GEADLO COC(=O)c1nn(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c(C)c1Br ZINC000800858039 654162282 /nfs/dbraw/zinc/16/22/82/654162282.db2.gz DGZDNVWGUXFUAY-GFCCVEGCSA-N 1 2 396.289 2.311 20 0 GEADLO COC(=O)c1nn(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c(C)c1Br ZINC000800858039 654162286 /nfs/dbraw/zinc/16/22/86/654162286.db2.gz DGZDNVWGUXFUAY-GFCCVEGCSA-N 1 2 396.289 2.311 20 0 GEADLO C[N@H+](CCOc1ccc(Br)cc1)CN1C[C@@]2(CCCOC2)C1=O ZINC000902035683 654162833 /nfs/dbraw/zinc/16/28/33/654162833.db2.gz UPEHXOUECZXRID-QGZVFWFLSA-N 1 2 383.286 2.356 20 0 GEADLO C[N@@H+](CCOc1ccc(Br)cc1)CN1C[C@@]2(CCCOC2)C1=O ZINC000902035683 654162838 /nfs/dbraw/zinc/16/28/38/654162838.db2.gz UPEHXOUECZXRID-QGZVFWFLSA-N 1 2 383.286 2.356 20 0 GEADLO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000918838963 654164145 /nfs/dbraw/zinc/16/41/45/654164145.db2.gz OPUMCRXXYAYTKM-XMMPIXPASA-N 1 2 384.527 2.281 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2csc(I)n2)C1 ZINC000831209229 654171159 /nfs/dbraw/zinc/17/11/59/654171159.db2.gz BFJDWBPRGORFDP-MRVPVSSYSA-N 1 2 388.234 2.111 20 0 GEADLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851720457 654172408 /nfs/dbraw/zinc/17/24/08/654172408.db2.gz KLQGTPVSTDTHLU-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851720457 654172412 /nfs/dbraw/zinc/17/24/12/654172412.db2.gz KLQGTPVSTDTHLU-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO COC(CC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)OC ZINC000851723874 654172873 /nfs/dbraw/zinc/17/28/73/654172873.db2.gz MKMOKBNKVZNUNC-UHFFFAOYSA-N 1 2 397.324 2.309 20 0 GEADLO Cc1ccc(C)c(-n2ccn(C[N@@H+]3CC[C@H](CS(N)(=O)=O)C3)c2=S)c1 ZINC000902524749 654181544 /nfs/dbraw/zinc/18/15/44/654181544.db2.gz ULRZGTOTQQYFBH-HNNXBMFYSA-N 1 2 380.539 2.193 20 0 GEADLO Cc1ccc(C)c(-n2ccn(C[N@H+]3CC[C@H](CS(N)(=O)=O)C3)c2=S)c1 ZINC000902524749 654181549 /nfs/dbraw/zinc/18/15/49/654181549.db2.gz ULRZGTOTQQYFBH-HNNXBMFYSA-N 1 2 380.539 2.193 20 0 GEADLO Cc1ccc(-n2ccn(C[N@@H+]3CC[C@H](CS(N)(=O)=O)C3)c2=S)c(C)c1 ZINC000902523792 654181641 /nfs/dbraw/zinc/18/16/41/654181641.db2.gz MOUSKTHQRTUJPG-HNNXBMFYSA-N 1 2 380.539 2.193 20 0 GEADLO Cc1ccc(-n2ccn(C[N@H+]3CC[C@H](CS(N)(=O)=O)C3)c2=S)c(C)c1 ZINC000902523792 654181644 /nfs/dbraw/zinc/18/16/44/654181644.db2.gz MOUSKTHQRTUJPG-HNNXBMFYSA-N 1 2 380.539 2.193 20 0 GEADLO CCn1c[nH+]c2c1CCN(CN1C(=O)C(=O)c3c1cccc3Br)C2 ZINC000902551963 654183299 /nfs/dbraw/zinc/18/32/99/654183299.db2.gz ZARNMPFOPHGHKD-UHFFFAOYSA-N 1 2 389.253 2.211 20 0 GEADLO C[C@@H]1C[N@H+](Cn2c(-c3ccccc3)nsc2=S)C[C@H]1CS(N)(=O)=O ZINC000902606224 654187547 /nfs/dbraw/zinc/18/75/47/654187547.db2.gz VWGXOYRVRZXAGN-YPMHNXCESA-N 1 2 384.552 2.155 20 0 GEADLO C[C@@H]1C[N@@H+](Cn2c(-c3ccccc3)nsc2=S)C[C@H]1CS(N)(=O)=O ZINC000902606224 654187550 /nfs/dbraw/zinc/18/75/50/654187550.db2.gz VWGXOYRVRZXAGN-YPMHNXCESA-N 1 2 384.552 2.155 20 0 GEADLO CCc1noc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000902665769 654191571 /nfs/dbraw/zinc/19/15/71/654191571.db2.gz WMMQNHOUYMOGQM-UHFFFAOYSA-N 1 2 378.230 2.323 20 0 GEADLO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000919981638 654197991 /nfs/dbraw/zinc/19/79/91/654197991.db2.gz ODYLULPDKXCLBF-GWCFXTLKSA-N 1 2 399.866 2.271 20 0 GEADLO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCN1C ZINC000919981638 654197997 /nfs/dbraw/zinc/19/79/97/654197997.db2.gz ODYLULPDKXCLBF-GWCFXTLKSA-N 1 2 399.866 2.271 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000801539078 654200102 /nfs/dbraw/zinc/20/01/02/654200102.db2.gz AHWVLYZGQWTFCM-UHFFFAOYSA-N 1 2 383.242 2.310 20 0 GEADLO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cn(C)nn1 ZINC000902882980 654202374 /nfs/dbraw/zinc/20/23/74/654202374.db2.gz ZPFWFLBHCXYJSP-GFCCVEGCSA-N 1 2 380.290 2.265 20 0 GEADLO CC(C)(CNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)[NH+]1CCOCC1 ZINC000851908632 654205119 /nfs/dbraw/zinc/20/51/19/654205119.db2.gz RZXYYIOYQUNESZ-HNNXBMFYSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000851952572 654207775 /nfs/dbraw/zinc/20/77/75/654207775.db2.gz NEUTXQOTYAZXHO-SSINHNECSA-N 1 2 397.488 2.105 20 0 GEADLO C[C@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)[N@H+]1CCc2sccc2C1 ZINC000851952572 654207779 /nfs/dbraw/zinc/20/77/79/654207779.db2.gz NEUTXQOTYAZXHO-SSINHNECSA-N 1 2 397.488 2.105 20 0 GEADLO C[C@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000851952570 654207824 /nfs/dbraw/zinc/20/78/24/654207824.db2.gz NEUTXQOTYAZXHO-NDHGSNPTSA-N 1 2 397.488 2.105 20 0 GEADLO C[C@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)[N@H+]1CCc2sccc2C1 ZINC000851952570 654207829 /nfs/dbraw/zinc/20/78/29/654207829.db2.gz NEUTXQOTYAZXHO-NDHGSNPTSA-N 1 2 397.488 2.105 20 0 GEADLO NC(=O)c1c(NC(=O)C[N@@H+]2CCSC[C@@H]2C2CC2)sc2c1CCCC2 ZINC000831772820 654208086 /nfs/dbraw/zinc/20/80/86/654208086.db2.gz AFFWEVRENTXBDD-CYBMUJFWSA-N 1 2 379.551 2.492 20 0 GEADLO NC(=O)c1c(NC(=O)C[N@H+]2CCSC[C@@H]2C2CC2)sc2c1CCCC2 ZINC000831772820 654208091 /nfs/dbraw/zinc/20/80/91/654208091.db2.gz AFFWEVRENTXBDD-CYBMUJFWSA-N 1 2 379.551 2.492 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000903012423 654209847 /nfs/dbraw/zinc/20/98/47/654209847.db2.gz LIBHSTIMYZGFDQ-BETUJISGSA-N 1 2 384.464 2.328 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000870946081 654212396 /nfs/dbraw/zinc/21/23/96/654212396.db2.gz DEYSXRSDEPTFPM-QGZVFWFLSA-N 1 2 380.286 2.225 20 0 GEADLO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1cnn(C)c1Br ZINC000903153700 654222079 /nfs/dbraw/zinc/22/20/79/654222079.db2.gz IAXMYNRLHFEDFW-UHFFFAOYSA-N 1 2 387.303 2.353 20 0 GEADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000802241169 654223934 /nfs/dbraw/zinc/22/39/34/654223934.db2.gz JZYBALMCHBHSNM-STQMWFEESA-N 1 2 399.260 2.389 20 0 GEADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000802241169 654223940 /nfs/dbraw/zinc/22/39/40/654223940.db2.gz JZYBALMCHBHSNM-STQMWFEESA-N 1 2 399.260 2.389 20 0 GEADLO Cn1cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c(Br)n1 ZINC000890497640 654224823 /nfs/dbraw/zinc/22/48/23/654224823.db2.gz SGCVQNBKXRPOAD-UHFFFAOYSA-N 1 2 398.330 2.417 20 0 GEADLO Cc1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)cc1Br ZINC000832017066 654225261 /nfs/dbraw/zinc/22/52/61/654225261.db2.gz XFZHHZLSFPPWDC-UHFFFAOYSA-N 1 2 378.288 2.188 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC[C@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000920923673 654227004 /nfs/dbraw/zinc/22/70/04/654227004.db2.gz DAOSEAJLLLQSMT-DOMZBBRYSA-N 1 2 378.416 2.063 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NC[C@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000920923673 654227012 /nfs/dbraw/zinc/22/70/12/654227012.db2.gz DAOSEAJLLLQSMT-DOMZBBRYSA-N 1 2 378.416 2.063 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)c1F ZINC000903208438 654227060 /nfs/dbraw/zinc/22/70/60/654227060.db2.gz LXFUCXYOWXYJGV-JTQLQIEISA-N 1 2 393.278 2.066 20 0 GEADLO CCN1CCC[C@H]([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1=O ZINC000903387406 654237604 /nfs/dbraw/zinc/23/76/04/654237604.db2.gz FJDBOLRSPPVBHJ-RNCFNFMXSA-N 1 2 394.324 2.302 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@]2(C)Br)CC1 ZINC000871545802 654242366 /nfs/dbraw/zinc/24/23/66/654242366.db2.gz VVFUJFOBOKOTDP-BLLLJJGKSA-N 1 2 375.307 2.082 20 0 GEADLO Cc1cccnc1C[NH+]1CCC(n2nncc2I)CC1 ZINC000852532335 654246193 /nfs/dbraw/zinc/24/61/93/654246193.db2.gz IBYSYMPVULLPJX-UHFFFAOYSA-N 1 2 383.237 2.423 20 0 GEADLO Cc1ccc(C[NH+]2CCC(n3nncc3I)CC2)cn1 ZINC000852533246 654247160 /nfs/dbraw/zinc/24/71/60/654247160.db2.gz WDSBDHWJOBUVCG-UHFFFAOYSA-N 1 2 383.237 2.423 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc(F)ccc1OC(F)F ZINC000921322509 654247631 /nfs/dbraw/zinc/24/76/31/654247631.db2.gz UDLIKAWOPUMTQF-NEPJUHHUSA-N 1 2 396.456 2.285 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1cc(F)ccc1OC(F)F ZINC000921322509 654247635 /nfs/dbraw/zinc/24/76/35/654247635.db2.gz UDLIKAWOPUMTQF-NEPJUHHUSA-N 1 2 396.456 2.285 20 0 GEADLO COCCCS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921331169 654249334 /nfs/dbraw/zinc/24/93/34/654249334.db2.gz YAOSATBFKKWHTD-HUUCEWRRSA-N 1 2 380.432 2.005 20 0 GEADLO COCCCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921331169 654249338 /nfs/dbraw/zinc/24/93/38/654249338.db2.gz YAOSATBFKKWHTD-HUUCEWRRSA-N 1 2 380.432 2.005 20 0 GEADLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)CC1 ZINC000832523353 654271707 /nfs/dbraw/zinc/27/17/07/654271707.db2.gz GHVNWLFHFOLLBL-LLVKDONJSA-N 1 2 392.880 2.371 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CO)c1ccccc1I ZINC000891321881 654283845 /nfs/dbraw/zinc/28/38/45/654283845.db2.gz KWRXAQXXTRAXBM-QMTHXVAHSA-N 1 2 399.232 2.043 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CO)c1ccccc1I ZINC000891321881 654283851 /nfs/dbraw/zinc/28/38/51/654283851.db2.gz KWRXAQXXTRAXBM-QMTHXVAHSA-N 1 2 399.232 2.043 20 0 GEADLO C[C@H](CC(=O)N[C@@H](CO)c1ccccc1I)n1cc[nH+]c1 ZINC000891321808 654283912 /nfs/dbraw/zinc/28/39/12/654283912.db2.gz KDKOUSUZCWQGQA-RISCZKNCSA-N 1 2 399.232 2.289 20 0 GEADLO CCn1c(Br)c(Br)nc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000921587239 654287579 /nfs/dbraw/zinc/28/75/79/654287579.db2.gz PARJJUIAGYSCIV-YFKPBYRVSA-N 1 2 395.017 2.441 20 0 GEADLO CCC[C@@H]1CN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)CC[N@@H+]1CCOC ZINC000853462842 654297374 /nfs/dbraw/zinc/29/73/74/654297374.db2.gz BHFBNMXHJBAEJF-CQSZACIVSA-N 1 2 385.917 2.311 20 0 GEADLO CCC[C@@H]1CN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)CC[N@H+]1CCOC ZINC000853462842 654297377 /nfs/dbraw/zinc/29/73/77/654297377.db2.gz BHFBNMXHJBAEJF-CQSZACIVSA-N 1 2 385.917 2.311 20 0 GEADLO CC1=NO[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000832823832 654298475 /nfs/dbraw/zinc/29/84/75/654298475.db2.gz OKKUKZOODZMKTN-HNNXBMFYSA-N 1 2 381.274 2.304 20 0 GEADLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cn1ncc(Cl)c1C1CC1 ZINC000853513829 654300034 /nfs/dbraw/zinc/30/00/34/654300034.db2.gz IYRMMBGQZAMMFM-UHFFFAOYSA-N 1 2 384.889 2.030 20 0 GEADLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cn1ncc(Cl)c1C1CC1 ZINC000853513829 654300041 /nfs/dbraw/zinc/30/00/41/654300041.db2.gz IYRMMBGQZAMMFM-UHFFFAOYSA-N 1 2 384.889 2.030 20 0 GEADLO O=C1c2cc(Cl)c(Cl)cc2C(=O)N1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000853523341 654300469 /nfs/dbraw/zinc/30/04/69/654300469.db2.gz UGIMLSYOHZBKGQ-SNVBAGLBSA-N 1 2 380.235 2.161 20 0 GEADLO O=C1c2cc(Cl)c(Cl)cc2C(=O)N1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000853523341 654300474 /nfs/dbraw/zinc/30/04/74/654300474.db2.gz UGIMLSYOHZBKGQ-SNVBAGLBSA-N 1 2 380.235 2.161 20 0 GEADLO C[C@@]12COC[C@]1(C)C[N@@H+](CN1C(=O)c3ccc(Br)cc3C1=O)C2 ZINC000853543466 654302581 /nfs/dbraw/zinc/30/25/81/654302581.db2.gz ZYBNMAJGMOHWRI-CALCHBBNSA-N 1 2 379.254 2.361 20 0 GEADLO C[C@@]12COC[C@]1(C)C[N@H+](CN1C(=O)c3ccc(Br)cc3C1=O)C2 ZINC000853543466 654302585 /nfs/dbraw/zinc/30/25/85/654302585.db2.gz ZYBNMAJGMOHWRI-CALCHBBNSA-N 1 2 379.254 2.361 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000853561145 654304489 /nfs/dbraw/zinc/30/44/89/654304489.db2.gz ZVLAJNWWHSMOEN-JOYOIKCWSA-N 1 2 398.232 2.054 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000853561145 654304497 /nfs/dbraw/zinc/30/44/97/654304497.db2.gz ZVLAJNWWHSMOEN-JOYOIKCWSA-N 1 2 398.232 2.054 20 0 GEADLO O=C(Oc1cc(Br)ccc1F)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000904220169 654305774 /nfs/dbraw/zinc/30/57/74/654305774.db2.gz MSWXGSQSRZLJLV-OCCSQVGLSA-N 1 2 388.233 2.373 20 0 GEADLO O=C(/C=C\c1ccc(I)o1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804335818 654306079 /nfs/dbraw/zinc/30/60/79/654306079.db2.gz FAPYGHRBFOEBME-OAQKJQOQSA-N 1 2 383.189 2.225 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCOc3cc(Br)ccc3C2)CCO1 ZINC000853607620 654309505 /nfs/dbraw/zinc/30/95/05/654309505.db2.gz RCUFQLZBPJALRP-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCOc3cc(Br)ccc3C2)CCO1 ZINC000853607620 654309509 /nfs/dbraw/zinc/30/95/09/654309509.db2.gz RCUFQLZBPJALRP-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO CC1(C)CN(c2cc(Br)cnc2Br)CC[N@@H+]1CCO ZINC000804630551 654316092 /nfs/dbraw/zinc/31/60/92/654316092.db2.gz FFMLBFKVQFVPKU-UHFFFAOYSA-N 1 2 393.123 2.500 20 0 GEADLO CC1(C)CN(c2cc(Br)cnc2Br)CC[N@H+]1CCO ZINC000804630551 654316097 /nfs/dbraw/zinc/31/60/97/654316097.db2.gz FFMLBFKVQFVPKU-UHFFFAOYSA-N 1 2 393.123 2.500 20 0 GEADLO CN(C)C(=O)CCNc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC000891878736 654316697 /nfs/dbraw/zinc/31/66/97/654316697.db2.gz XUBMJCUFHAWBCL-UHFFFAOYSA-N 1 2 389.257 2.468 20 0 GEADLO CC(C)Nc1nc(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)nc(NCCO)[nH+]1 ZINC000804704395 654318538 /nfs/dbraw/zinc/31/85/38/654318538.db2.gz GGOGWAOIHZKPGY-YGRLFVJLSA-N 1 2 375.304 2.116 20 0 GEADLO Cc1nc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)sc1Br ZINC000921800375 654325456 /nfs/dbraw/zinc/32/54/56/654325456.db2.gz CMDSFGCBEKYREB-LDYMZIIASA-N 1 2 384.303 2.231 20 0 GEADLO Cc1nc(N2CCC(n3nncc3I)CC2)c(C)c(C)[nH+]1 ZINC000853856167 654326049 /nfs/dbraw/zinc/32/60/49/654326049.db2.gz SACRDAGREDWUNR-UHFFFAOYSA-N 1 2 398.252 2.439 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2csc(C(F)(F)F)n2)CC1 ZINC000892185928 654332784 /nfs/dbraw/zinc/33/27/84/654332784.db2.gz SSRYRUGHBZOOHH-LBPRGKRZSA-N 1 2 376.448 2.290 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872437936 654334904 /nfs/dbraw/zinc/33/49/04/654334904.db2.gz UAMJXIZTUMPINL-NSHDSACASA-N 1 2 382.873 2.178 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCSCc2ccnc(Cl)c2)[C@@H](C)CO1 ZINC000853985869 654335103 /nfs/dbraw/zinc/33/51/03/654335103.db2.gz QZJZUQNMMDYMSC-UONOGXRCSA-N 1 2 386.949 2.377 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCSCc2ccnc(Cl)c2)[C@@H](C)CO1 ZINC000853985869 654335105 /nfs/dbraw/zinc/33/51/05/654335105.db2.gz QZJZUQNMMDYMSC-UONOGXRCSA-N 1 2 386.949 2.377 20 0 GEADLO Cn1ccc(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)nc1=O ZINC000892311892 654339897 /nfs/dbraw/zinc/33/98/97/654339897.db2.gz CLMVKTXWIGBILR-OAHLLOKOSA-N 1 2 391.269 2.153 20 0 GEADLO C[C@H](NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000872477172 654349931 /nfs/dbraw/zinc/34/99/31/654349931.db2.gz FSHXUJYTAVEBFP-HMFCALDFSA-N 1 2 375.560 2.409 20 0 GEADLO O=C(CC1OCCO1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000854332529 654351364 /nfs/dbraw/zinc/35/13/64/654351364.db2.gz IQRVGIWTZCGIGM-UHFFFAOYSA-N 1 2 394.269 2.437 20 0 GEADLO Cc1ccc(/C=C/C(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)c(Br)c1 ZINC000854353828 654355016 /nfs/dbraw/zinc/35/50/16/654355016.db2.gz HAKYQOWIDUIORP-JFDDCEBESA-N 1 2 378.314 2.277 20 0 GEADLO Cc1ccc(/C=C/C(=O)NC[C@H]2CN3CC[N@H+]2CCC3)c(Br)c1 ZINC000854353828 654355019 /nfs/dbraw/zinc/35/50/19/654355019.db2.gz HAKYQOWIDUIORP-JFDDCEBESA-N 1 2 378.314 2.277 20 0 GEADLO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000905396300 654355531 /nfs/dbraw/zinc/35/55/31/654355531.db2.gz RSBOMIRHOUTYSY-ZIAGYGMSSA-N 1 2 395.714 2.125 20 0 GEADLO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000905396300 654355533 /nfs/dbraw/zinc/35/55/33/654355533.db2.gz RSBOMIRHOUTYSY-ZIAGYGMSSA-N 1 2 395.714 2.125 20 0 GEADLO CC[C@@H]([NH2+]Cc1nc(Br)c(Br)n1CC)C(=O)NC ZINC000922169819 654373195 /nfs/dbraw/zinc/37/31/95/654373195.db2.gz GHRCQWQMJCDWJZ-SSDOTTSWSA-N 1 2 382.100 2.042 20 0 GEADLO CC(C)[C@@H](CNC(=O)c1nn(C(C)C)cc1Br)[NH+]1CCOCC1 ZINC000905681799 654374187 /nfs/dbraw/zinc/37/41/87/654374187.db2.gz XNBJVNHJHCAZCV-CQSZACIVSA-N 1 2 387.322 2.313 20 0 GEADLO CCn1c(C[NH2+]CC2OCCCO2)nc(Br)c1Br ZINC000922281381 654381418 /nfs/dbraw/zinc/38/14/18/654381418.db2.gz ULNAHZCFOQRGEY-UHFFFAOYSA-N 1 2 383.084 2.281 20 0 GEADLO C[C@@]1([C@H]2CCC[N@H+](Cn3nc(N4CCCC4)sc3=S)C2)COC(=O)N1 ZINC000905707182 654376294 /nfs/dbraw/zinc/37/62/94/654376294.db2.gz JWISYZGWOZDYLM-LRDDRELGSA-N 1 2 383.543 2.442 20 0 GEADLO C[C@@]1([C@H]2CCC[N@@H+](Cn3nc(N4CCCC4)sc3=S)C2)COC(=O)N1 ZINC000905707182 654376297 /nfs/dbraw/zinc/37/62/97/654376297.db2.gz JWISYZGWOZDYLM-LRDDRELGSA-N 1 2 383.543 2.442 20 0 GEADLO O=C1NCCC12CC[NH+](Cn1c(=O)oc3cc(Br)c(F)cc31)CC2 ZINC000872788795 654395662 /nfs/dbraw/zinc/39/56/62/654395662.db2.gz IJNBLGGLUPKSEU-UHFFFAOYSA-N 1 2 398.232 2.056 20 0 GEADLO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000922492406 654397302 /nfs/dbraw/zinc/39/73/02/654397302.db2.gz RUHWERBCXZXNIG-UHFFFAOYSA-N 1 2 390.861 2.088 20 0 GEADLO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000922493362 654397398 /nfs/dbraw/zinc/39/73/98/654397398.db2.gz OSNDSKPZQSLSHH-UHFFFAOYSA-N 1 2 392.449 2.372 20 0 GEADLO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1F ZINC000893680571 654414655 /nfs/dbraw/zinc/41/46/55/654414655.db2.gz YCRNONHCJDAGHT-UHFFFAOYSA-N 1 2 382.486 2.384 20 0 GEADLO Cn1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2O)c(I)n1 ZINC000922989387 654423189 /nfs/dbraw/zinc/42/31/89/654423189.db2.gz LGJKMEAOEIPDDW-KGLIPLIRSA-N 1 2 383.233 2.163 20 0 GEADLO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000855636012 654430329 /nfs/dbraw/zinc/43/03/29/654430329.db2.gz LQGMZSSKBBNNHT-CYBMUJFWSA-N 1 2 377.794 2.229 20 0 GEADLO Cc1noc([C@@H]2CCC[N@@H+](Cc3c(I)cnn3C)C2)n1 ZINC000893962565 654434028 /nfs/dbraw/zinc/43/40/28/654434028.db2.gz NGDOVRZPJDKZMP-SNVBAGLBSA-N 1 2 387.225 2.096 20 0 GEADLO Cc1noc([C@@H]2CCC[N@H+](Cc3c(I)cnn3C)C2)n1 ZINC000893962565 654434033 /nfs/dbraw/zinc/43/40/33/654434033.db2.gz NGDOVRZPJDKZMP-SNVBAGLBSA-N 1 2 387.225 2.096 20 0 GEADLO C[N@H+](CC(=O)[O-])C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923230031 654435633 /nfs/dbraw/zinc/43/56/33/654435633.db2.gz ISVZIYKYLPQMDO-CQSZACIVSA-N 1 2 391.295 2.214 20 0 GEADLO C[N@@H+](CC(=O)[O-])C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923230031 654435636 /nfs/dbraw/zinc/43/56/36/654435636.db2.gz ISVZIYKYLPQMDO-CQSZACIVSA-N 1 2 391.295 2.214 20 0 GEADLO CCc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000873667120 654446181 /nfs/dbraw/zinc/44/61/81/654446181.db2.gz AZOTZMNIYWQZBK-NSHDSACASA-N 1 2 379.258 2.351 20 0 GEADLO COc1cc(Br)ccc1NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000873688251 654449274 /nfs/dbraw/zinc/44/92/74/654449274.db2.gz RGLIQUNLZORZJA-UHFFFAOYSA-N 1 2 395.257 2.189 20 0 GEADLO COc1cc(C[NH2+]Cc2nc(Br)nn2C)ccc1OC(F)F ZINC000894152245 654450614 /nfs/dbraw/zinc/45/06/14/654450614.db2.gz JRFZFXLULXMJNA-UHFFFAOYSA-N 1 2 377.189 2.477 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCC[C@@H](O)C3CC3)[nH+]c12 ZINC000894165658 654452265 /nfs/dbraw/zinc/45/22/65/654452265.db2.gz HCGLZAJZXILGBB-OAHLLOKOSA-N 1 2 395.301 2.408 20 0 GEADLO C[C@H]([NH2+]Cc1cn(C)nc1I)C(=O)Nc1ccccc1 ZINC000894251359 654459330 /nfs/dbraw/zinc/45/93/30/654459330.db2.gz SADWAFKSOJUJFH-JTQLQIEISA-N 1 2 384.221 2.142 20 0 GEADLO C[C@@H]([NH2+]Cc1cn(C)nc1I)C(=O)Nc1ccccc1 ZINC000894251360 654459476 /nfs/dbraw/zinc/45/94/76/654459476.db2.gz SADWAFKSOJUJFH-SNVBAGLBSA-N 1 2 384.221 2.142 20 0 GEADLO C[C@@](CO)(NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000894310109 654464255 /nfs/dbraw/zinc/46/42/55/654464255.db2.gz SDXIWXDPCBCILY-YOEHRIQHSA-N 1 2 393.285 2.167 20 0 GEADLO Cn1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(I)n1 ZINC000894374227 654470926 /nfs/dbraw/zinc/47/09/26/654470926.db2.gz FFFUFEMABNQKIB-VXGBXAGGSA-N 1 2 377.270 2.254 20 0 GEADLO Cn1cc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(I)n1 ZINC000894374227 654470930 /nfs/dbraw/zinc/47/09/30/654470930.db2.gz FFFUFEMABNQKIB-VXGBXAGGSA-N 1 2 377.270 2.254 20 0 GEADLO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2nc(Br)nn2C)cc1 ZINC000894383296 654471774 /nfs/dbraw/zinc/47/17/74/654471774.db2.gz FMZWPQDIEVCYCI-UHFFFAOYSA-N 1 2 380.290 2.349 20 0 GEADLO CCc1nnc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000894403459 654473135 /nfs/dbraw/zinc/47/31/35/654473135.db2.gz PVGVPTPGOQPKHH-UHFFFAOYSA-N 1 2 395.337 2.475 20 0 GEADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)C[C@H]2CSCCS2)C1 ZINC000856329006 654476808 /nfs/dbraw/zinc/47/68/08/654476808.db2.gz XAQORLAUAVGERS-MSOLQXFVSA-N 1 2 379.595 2.158 20 0 GEADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)C[C@H]2CSCCS2)C1 ZINC000856329006 654476815 /nfs/dbraw/zinc/47/68/15/654476815.db2.gz XAQORLAUAVGERS-MSOLQXFVSA-N 1 2 379.595 2.158 20 0 GEADLO CCc1ccc(Br)c(NC(=O)C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000873911121 654481373 /nfs/dbraw/zinc/48/13/73/654481373.db2.gz ACFNHNMLOMPUFV-UHFFFAOYSA-N 1 2 379.258 2.042 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cncc(Br)c3)C2)n1 ZINC000856595515 654485216 /nfs/dbraw/zinc/48/52/16/654485216.db2.gz YFUZUIYGULYRLP-INIZCTEOSA-N 1 2 381.274 2.359 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cncc(Br)c3)C2)n1 ZINC000856595515 654485222 /nfs/dbraw/zinc/48/52/22/654485222.db2.gz YFUZUIYGULYRLP-INIZCTEOSA-N 1 2 381.274 2.359 20 0 GEADLO Cc1n[nH]cc1C1CC[NH+](Cc2cn(C)nc2I)CC1 ZINC000894689376 654494402 /nfs/dbraw/zinc/49/44/02/654494402.db2.gz DFXHKVDTSPZYHA-UHFFFAOYSA-N 1 2 385.253 2.436 20 0 GEADLO CCOC1CC(CNC(=O)NCC[C@H]2CC2(Cl)Cl)([NH+]2CCOCC2)C1 ZINC000856850783 654497426 /nfs/dbraw/zinc/49/74/26/654497426.db2.gz AIHXDWXULGEBPK-HLIUYOAVSA-N 1 2 394.343 2.139 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000894814281 654500570 /nfs/dbraw/zinc/50/05/70/654500570.db2.gz GAFRHUXCJBULTF-MRXNPFEDSA-N 1 2 397.260 2.161 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000894814281 654500574 /nfs/dbraw/zinc/50/05/74/654500574.db2.gz GAFRHUXCJBULTF-MRXNPFEDSA-N 1 2 397.260 2.161 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000894862483 654502737 /nfs/dbraw/zinc/50/27/37/654502737.db2.gz AZNOTZJDNNCWAY-AWEZNQCLSA-N 1 2 387.265 2.416 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000894862483 654502740 /nfs/dbraw/zinc/50/27/40/654502740.db2.gz AZNOTZJDNNCWAY-AWEZNQCLSA-N 1 2 387.265 2.416 20 0 GEADLO Cn1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c(I)n1 ZINC000894863308 654502745 /nfs/dbraw/zinc/50/27/45/654502745.db2.gz XONSDCIQSFPLJK-CYBMUJFWSA-N 1 2 387.265 2.416 20 0 GEADLO Cn1cc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c(I)n1 ZINC000894863308 654502747 /nfs/dbraw/zinc/50/27/47/654502747.db2.gz XONSDCIQSFPLJK-CYBMUJFWSA-N 1 2 387.265 2.416 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(Br)nn1C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000894917005 654505324 /nfs/dbraw/zinc/50/53/24/654505324.db2.gz MLYLQEDPQIVLQG-WDEREUQCSA-N 1 2 378.274 2.034 20 0 GEADLO C[C@@H](c1cccc(Br)c1)N1CC(=O)N(C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000925298709 654540427 /nfs/dbraw/zinc/54/04/27/654540427.db2.gz JHIZBWICOKWBOR-SWLSCSKDSA-N 1 2 396.285 2.105 20 0 GEADLO C[C@@H](c1cccc(Br)c1)N1CC(=O)N(C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000925298709 654540434 /nfs/dbraw/zinc/54/04/34/654540434.db2.gz JHIZBWICOKWBOR-SWLSCSKDSA-N 1 2 396.285 2.105 20 0 GEADLO C[NH+](C)CCn1cc(C(=O)Nc2nc3cccc(Br)c3[nH]2)cn1 ZINC000925629035 654547087 /nfs/dbraw/zinc/54/70/87/654547087.db2.gz KDTIJQQUJUQRGO-UHFFFAOYSA-N 1 2 377.246 2.336 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC[N@@H+](C)CC2)c1Cl ZINC000907784974 654578697 /nfs/dbraw/zinc/57/86/97/654578697.db2.gz BVYRIOFQMLVREF-UHFFFAOYSA-N 1 2 380.341 2.170 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC[N@H+](C)CC2)c1Cl ZINC000907784974 654578701 /nfs/dbraw/zinc/57/87/01/654578701.db2.gz BVYRIOFQMLVREF-UHFFFAOYSA-N 1 2 380.341 2.170 20 0 GEADLO CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@H+](C)CC1 ZINC000907787122 654578952 /nfs/dbraw/zinc/57/89/52/654578952.db2.gz VHWGMSUQQKHSNL-UHFFFAOYSA-N 1 2 399.866 2.227 20 0 GEADLO CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+](C)CC1 ZINC000907787122 654578957 /nfs/dbraw/zinc/57/89/57/654578957.db2.gz VHWGMSUQQKHSNL-UHFFFAOYSA-N 1 2 399.866 2.227 20 0 GEADLO CN1CCN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[N@H+](C)CC1 ZINC000907787282 654579069 /nfs/dbraw/zinc/57/90/69/654579069.db2.gz AFIPMUJFQFSRNL-UHFFFAOYSA-N 1 2 399.866 2.227 20 0 GEADLO CN1CCN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[N@@H+](C)CC1 ZINC000907787282 654579073 /nfs/dbraw/zinc/57/90/73/654579073.db2.gz AFIPMUJFQFSRNL-UHFFFAOYSA-N 1 2 399.866 2.227 20 0 GEADLO CO[C@@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000907835932 654582295 /nfs/dbraw/zinc/58/22/95/654582295.db2.gz LBVQLPKJKUOXRC-SMDDNHRTSA-N 1 2 391.331 2.377 20 0 GEADLO COc1ccccc1[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccccc1Cl ZINC000927030797 654590274 /nfs/dbraw/zinc/59/02/74/654590274.db2.gz MWHWUFKPQDQSDZ-FZKQIMNGSA-N 1 2 383.897 2.433 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccn2ncc(Br)c12 ZINC000908144531 654608304 /nfs/dbraw/zinc/60/83/04/654608304.db2.gz HQNNLXRVWGWHHX-STQMWFEESA-N 1 2 393.285 2.032 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1 ZINC000927773415 654613361 /nfs/dbraw/zinc/61/33/61/654613361.db2.gz LDIPMFSILRBTBL-UHFFFAOYSA-N 1 2 389.449 2.131 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000927773241 654613404 /nfs/dbraw/zinc/61/34/04/654613404.db2.gz ISRIGDMKQLKLOA-UHFFFAOYSA-N 1 2 381.885 2.488 20 0 GEADLO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927773601 654613409 /nfs/dbraw/zinc/61/34/09/654613409.db2.gz MGUBOZIOPNZQIY-OAHLLOKOSA-N 1 2 380.539 2.337 20 0 GEADLO C/C(=C/C(=O)NCc1nc2cc(Br)ccc2o1)C[NH+]1CCOCC1 ZINC000908221870 654614217 /nfs/dbraw/zinc/61/42/17/654614217.db2.gz CIZWDMFEMPTFJA-WQLSENKSSA-N 1 2 394.269 2.485 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928361556 654644500 /nfs/dbraw/zinc/64/45/00/654644500.db2.gz ZOXNWMNUIKYRMF-UPJWGTAASA-N 1 2 376.258 2.440 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000928439789 654647561 /nfs/dbraw/zinc/64/75/61/654647561.db2.gz OOXOKDNTWWDRSB-IINYFYTJSA-N 1 2 389.315 2.065 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000928439789 654647562 /nfs/dbraw/zinc/64/75/62/654647562.db2.gz OOXOKDNTWWDRSB-IINYFYTJSA-N 1 2 389.315 2.065 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](OC)c1ccc(Br)s1 ZINC000928635690 654653839 /nfs/dbraw/zinc/65/38/39/654653839.db2.gz NPWNGJQQILBBTJ-FZMZJTMJSA-N 1 2 391.331 2.425 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)CC1(Br)Br ZINC000928647337 654654102 /nfs/dbraw/zinc/65/41/02/654654102.db2.gz GOHDXZLDPIGPHG-CMPLNLGQSA-N 1 2 398.139 2.110 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CCO1 ZINC000909702168 654672059 /nfs/dbraw/zinc/67/20/59/654672059.db2.gz HIDDZYDQIQJGRK-DGCLKSJQSA-N 1 2 397.269 2.139 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CCO1 ZINC000909702168 654672060 /nfs/dbraw/zinc/67/20/60/654672060.db2.gz HIDDZYDQIQJGRK-DGCLKSJQSA-N 1 2 397.269 2.139 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)NCCCn1cc[nH+]c1 ZINC000929159384 654673782 /nfs/dbraw/zinc/67/37/82/654673782.db2.gz VWLXMIQTBIIOER-GFCCVEGCSA-N 1 2 377.242 2.278 20 0 GEADLO Cc1cc([C@@H](C)NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)c(C)s1 ZINC000929415730 654683299 /nfs/dbraw/zinc/68/32/99/654683299.db2.gz XPLHUPGTRXCIOG-LLVKDONJSA-N 1 2 380.539 2.377 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000929470769 654685162 /nfs/dbraw/zinc/68/51/62/654685162.db2.gz YWGKGRFOIHOTIL-PVAVHDDUSA-N 1 2 395.297 2.011 20 0 GEADLO Cc1cc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cnc1Br ZINC000930444536 654710536 /nfs/dbraw/zinc/71/05/36/654710536.db2.gz ZUCGDLWPGMMGAA-ZDUSSCGKSA-N 1 2 390.347 2.256 20 0 GEADLO Cc1cc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cnc1Br ZINC000930444536 654710538 /nfs/dbraw/zinc/71/05/38/654710538.db2.gz ZUCGDLWPGMMGAA-ZDUSSCGKSA-N 1 2 390.347 2.256 20 0 GEADLO COC(=O)c1ccc(Br)c(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1 ZINC000930596283 654714668 /nfs/dbraw/zinc/71/46/68/654714668.db2.gz BXPGAQYJIROFFI-HOTGVXAUSA-N 1 2 383.286 2.141 20 0 GEADLO COC(=O)c1ccc(Br)c(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1 ZINC000930596283 654714669 /nfs/dbraw/zinc/71/46/69/654714669.db2.gz BXPGAQYJIROFFI-HOTGVXAUSA-N 1 2 383.286 2.141 20 0 GEADLO COC(=O)c1cc(Br)c(C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1OC ZINC000930623267 654715417 /nfs/dbraw/zinc/71/54/17/654715417.db2.gz PHDHQACSIPOAAA-OAHLLOKOSA-N 1 2 394.212 2.446 20 0 GEADLO COC(=O)c1cc(Br)c(C[N@H+]2CC[C@](O)(C(F)F)C2)cc1OC ZINC000930623267 654715420 /nfs/dbraw/zinc/71/54/20/654715420.db2.gz PHDHQACSIPOAAA-OAHLLOKOSA-N 1 2 394.212 2.446 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@@H]2C[C@H]3COC[C@H]3O2)c1 ZINC000930623499 654715482 /nfs/dbraw/zinc/71/54/82/654715482.db2.gz FQROBJGDQMCGLQ-WGGXSYPISA-N 1 2 386.286 2.227 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@@H]2C[C@H]3COC[C@H]3O2)c1 ZINC000930623499 654715483 /nfs/dbraw/zinc/71/54/83/654715483.db2.gz FQROBJGDQMCGLQ-WGGXSYPISA-N 1 2 386.286 2.227 20 0 GEADLO Cc1[nH]nc(Br)c1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000930627780 654715732 /nfs/dbraw/zinc/71/57/32/654715732.db2.gz SVGDAFAWHOMWOV-UHFFFAOYSA-N 1 2 392.301 2.480 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(OC)c(Br)cn1 ZINC000930790414 654719835 /nfs/dbraw/zinc/71/98/35/654719835.db2.gz HIHJURSVFLFQCN-NSHDSACASA-N 1 2 387.278 2.085 20 0 GEADLO CC1(C)Cc2nc(C[NH+]3CCC(NS(N)(=O)=O)CC3)sc2C(C)(C)C1 ZINC000931262912 654736159 /nfs/dbraw/zinc/73/61/59/654736159.db2.gz JVRIXYKFZWIYGM-UHFFFAOYSA-N 1 2 386.587 2.151 20 0 GEADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000931314183 654738133 /nfs/dbraw/zinc/73/81/33/654738133.db2.gz YBMAYARECNPYCX-OAHLLOKOSA-N 1 2 389.253 2.374 20 0 GEADLO Cc1nc2c(c(=O)[nH]1)C[N@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000931314183 654738136 /nfs/dbraw/zinc/73/81/36/654738136.db2.gz YBMAYARECNPYCX-OAHLLOKOSA-N 1 2 389.253 2.374 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[C@@H]([NH3+])C(F)F ZINC000912039132 654740619 /nfs/dbraw/zinc/74/06/19/654740619.db2.gz BRFQMQVUCSCRSZ-SNVBAGLBSA-N 1 2 378.217 2.137 20 0 GEADLO CCOC(=O)c1nc(NC(=O)NCc2c[nH+]cn2C)sc1C(F)(F)F ZINC000931596304 654748359 /nfs/dbraw/zinc/74/83/59/654748359.db2.gz VDPGDERQJPWXKA-UHFFFAOYSA-N 1 2 377.348 2.394 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931659181 654751751 /nfs/dbraw/zinc/75/17/51/654751751.db2.gz UIHDMJDKBLKUEP-UHFFFAOYSA-N 1 2 386.930 2.194 20 0 GEADLO O=C1C[C@H](C[N@@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(Br)cc2)CN1 ZINC000931798357 654757460 /nfs/dbraw/zinc/75/74/60/654757460.db2.gz JQBVRBYVIXRYSH-GTNSWQLSSA-N 1 2 375.270 2.256 20 0 GEADLO O=C1C[C@H](C[N@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(Br)cc2)CN1 ZINC000931798357 654757467 /nfs/dbraw/zinc/75/74/67/654757467.db2.gz JQBVRBYVIXRYSH-GTNSWQLSSA-N 1 2 375.270 2.256 20 0 GEADLO COc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1Br ZINC000932614334 654783596 /nfs/dbraw/zinc/78/35/96/654783596.db2.gz ZWXHLUDYCMOHKD-CJNGLKHVSA-N 1 2 399.285 2.276 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@H+](CC(=O)NCc3sccc3C)C2)s1 ZINC000932669261 654784950 /nfs/dbraw/zinc/78/49/50/654784950.db2.gz JFVATBMBLPXOJN-GFCCVEGCSA-N 1 2 379.507 2.405 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@@H+](CC(=O)NCc3sccc3C)C2)s1 ZINC000932669261 654784952 /nfs/dbraw/zinc/78/49/52/654784952.db2.gz JFVATBMBLPXOJN-GFCCVEGCSA-N 1 2 379.507 2.405 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@H+](CC(=O)NCc3sccc3C)C2)s1 ZINC000932669262 654785047 /nfs/dbraw/zinc/78/50/47/654785047.db2.gz JFVATBMBLPXOJN-LBPRGKRZSA-N 1 2 379.507 2.405 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@@H+](CC(=O)NCc3sccc3C)C2)s1 ZINC000932669262 654785052 /nfs/dbraw/zinc/78/50/52/654785052.db2.gz JFVATBMBLPXOJN-LBPRGKRZSA-N 1 2 379.507 2.405 20 0 GEADLO O[C@H](C[N@@H+]1CCc2c(Cl)ccc(Br)c2C1)C[C@@]1(O)CCOC1 ZINC000932754397 654788366 /nfs/dbraw/zinc/78/83/66/654788366.db2.gz PFPBLANASBJNPH-ZBEGNZNMSA-N 1 2 390.705 2.363 20 0 GEADLO O[C@H](C[N@H+]1CCc2c(Cl)ccc(Br)c2C1)C[C@@]1(O)CCOC1 ZINC000932754397 654788368 /nfs/dbraw/zinc/78/83/68/654788368.db2.gz PFPBLANASBJNPH-ZBEGNZNMSA-N 1 2 390.705 2.363 20 0 GEADLO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913443299 654792352 /nfs/dbraw/zinc/79/23/52/654792352.db2.gz PGFGXGVCZAIGDJ-YGRLFVJLSA-N 1 2 397.248 2.252 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3c(Cl)nc4cc(Cl)ccn43)CC[NH2+]2)cn1 ZINC000913455559 654792804 /nfs/dbraw/zinc/79/28/04/654792804.db2.gz BKEYKUWVZPPNDN-GFCCVEGCSA-N 1 2 379.251 2.161 20 0 GEADLO CO[C@H](C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1)c1ccccc1Br ZINC000913455713 654793076 /nfs/dbraw/zinc/79/30/76/654793076.db2.gz CKHNHWYNOUEQRW-CVEARBPZSA-N 1 2 393.285 2.043 20 0 GEADLO COc1ccc(CCC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c(Br)c1 ZINC000913455804 654793145 /nfs/dbraw/zinc/79/31/45/654793145.db2.gz JERMBZZEFJHYCS-INIZCTEOSA-N 1 2 393.285 2.287 20 0 GEADLO COc1c(Br)ccc(C)c1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913458013 654793315 /nfs/dbraw/zinc/79/33/15/654793315.db2.gz HYTDVOMXMMHOPV-CYBMUJFWSA-N 1 2 379.258 2.276 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000932880711 654793371 /nfs/dbraw/zinc/79/33/71/654793371.db2.gz PUMYORDZJPARKS-LBPRGKRZSA-N 1 2 391.269 2.464 20 0 GEADLO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913458353 654793410 /nfs/dbraw/zinc/79/34/10/654793410.db2.gz MGBNRRAKJSOTER-HZPDHXFCSA-N 1 2 375.270 2.375 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)CC[NH2+]2)cn1 ZINC000913462696 654794042 /nfs/dbraw/zinc/79/40/42/654794042.db2.gz MYKSGIIMVNLHLS-LBPRGKRZSA-N 1 2 376.873 2.312 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3cc(Br)c(F)cc3F)CC[NH2+]2)cn1 ZINC000913463982 654794060 /nfs/dbraw/zinc/79/40/60/654794060.db2.gz YXCQYPKLQKIUMH-CQSZACIVSA-N 1 2 385.212 2.248 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)CC[NH2+]2)cn1 ZINC000913463499 654794085 /nfs/dbraw/zinc/79/40/85/654794085.db2.gz GHAYRCPLAGUTFL-CVEARBPZSA-N 1 2 383.279 2.324 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)Cc3cc(Br)ccc3F)CC[NH2+]2)cn1 ZINC000913466806 654794358 /nfs/dbraw/zinc/79/43/58/654794358.db2.gz IIVVCAWQVLNUQD-OAHLLOKOSA-N 1 2 381.249 2.037 20 0 GEADLO CC(C)n1cc(Br)cc1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913470753 654794639 /nfs/dbraw/zinc/79/46/39/654794639.db2.gz YXEYSOIFMBLNLB-CQSZACIVSA-N 1 2 380.290 2.352 20 0 GEADLO CO[C@@H](C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1)c1ccc(Br)s1 ZINC000913476464 654794874 /nfs/dbraw/zinc/79/48/74/654794874.db2.gz YEKYGRMJSXINGS-BXUZGUMPSA-N 1 2 399.314 2.105 20 0 GEADLO O=S1(=O)NC[C@@H]2C[N@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CCN21 ZINC000933103469 654801871 /nfs/dbraw/zinc/80/18/71/654801871.db2.gz KZZAVXXVGIEBRO-MSOLQXFVSA-N 1 2 377.897 2.264 20 0 GEADLO O=S1(=O)NC[C@@H]2C[N@@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CCN21 ZINC000933103469 654801872 /nfs/dbraw/zinc/80/18/72/654801872.db2.gz KZZAVXXVGIEBRO-MSOLQXFVSA-N 1 2 377.897 2.264 20 0 GEADLO COC[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000933332560 654809166 /nfs/dbraw/zinc/80/91/66/654809166.db2.gz JMRZNKWHYGXSFA-STQMWFEESA-N 1 2 394.693 2.189 20 0 GEADLO COC[C@H]1COCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000933332560 654809168 /nfs/dbraw/zinc/80/91/68/654809168.db2.gz JMRZNKWHYGXSFA-STQMWFEESA-N 1 2 394.693 2.189 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](OC)c1ccc(Br)s1 ZINC000913808880 654810178 /nfs/dbraw/zinc/81/01/78/654810178.db2.gz IZTCLBKLYKMSMN-BXUZGUMPSA-N 1 2 391.331 2.425 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](OC)c1ccc(Br)s1 ZINC000913808880 654810179 /nfs/dbraw/zinc/81/01/79/654810179.db2.gz IZTCLBKLYKMSMN-BXUZGUMPSA-N 1 2 391.331 2.425 20 0 GEADLO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1c(O)cccc1OC(F)(F)F ZINC000913879581 654813223 /nfs/dbraw/zinc/81/32/23/654813223.db2.gz CFORMQFXTOOWLP-UHFFFAOYSA-N 1 2 380.388 2.196 20 0 GEADLO C[C@H]1CS(=O)(=O)CCCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000913890908 654814080 /nfs/dbraw/zinc/81/40/80/654814080.db2.gz FFZDLBSBILVZSU-LSDHHAIUSA-N 1 2 385.555 2.104 20 0 GEADLO O=C(N[C@@H]1CCC[N@H+](CC[C@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1 ZINC000933637404 654818589 /nfs/dbraw/zinc/81/85/89/654818589.db2.gz KBKZGJJWAVWGDD-WMLDXEAASA-N 1 2 384.929 2.359 20 0 GEADLO O=C(N[C@@H]1CCC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1 ZINC000933637404 654818590 /nfs/dbraw/zinc/81/85/90/654818590.db2.gz KBKZGJJWAVWGDD-WMLDXEAASA-N 1 2 384.929 2.359 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000933708550 654821098 /nfs/dbraw/zinc/82/10/98/654821098.db2.gz NNAWDNFGNAVJNN-UHFFFAOYSA-N 1 2 378.217 2.351 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000933708550 654821101 /nfs/dbraw/zinc/82/11/01/654821101.db2.gz NNAWDNFGNAVJNN-UHFFFAOYSA-N 1 2 378.217 2.351 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000914082537 654825403 /nfs/dbraw/zinc/82/54/03/654825403.db2.gz GVKJTRVFLWBAEG-CZUORRHYSA-N 1 2 397.317 2.411 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000933944296 654831817 /nfs/dbraw/zinc/83/18/17/654831817.db2.gz UCUIYGKZJAUMHN-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)nc1)c1ccc(Cl)cc1 ZINC000933996153 654833721 /nfs/dbraw/zinc/83/37/21/654833721.db2.gz QNNBMVZMOPDGPM-HNNXBMFYSA-N 1 2 381.885 2.171 20 0 GEADLO O=C(N1CCOCC1)C1([NH2+]Cc2nnc(C(F)(F)F)s2)CCCCC1 ZINC000934054826 654835260 /nfs/dbraw/zinc/83/52/60/654835260.db2.gz UKBCEXBRYAPVPM-UHFFFAOYSA-N 1 2 378.420 2.208 20 0 GEADLO O=S(=O)(Cc1ccsc1Br)NCCNc1cccc[nH+]1 ZINC000914244866 654838486 /nfs/dbraw/zinc/83/84/86/654838486.db2.gz RUIZBIOSCARXFG-UHFFFAOYSA-N 1 2 376.301 2.437 20 0 GEADLO C[C@@H]1C[NH+](CCCCNS(=O)(=O)c2occc2Br)C[C@@H](C)O1 ZINC000914249428 654838665 /nfs/dbraw/zinc/83/86/65/654838665.db2.gz FAAHRFUYTHANDD-VXGBXAGGSA-N 1 2 395.319 2.210 20 0 GEADLO Cc1c(Br)cncc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000934257770 654840471 /nfs/dbraw/zinc/84/04/71/654840471.db2.gz MXXDDADLTLQIQH-ZDUSSCGKSA-N 1 2 383.290 2.481 20 0 GEADLO O=C(c1cc(Br)cn2ncnc12)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000934315077 654843958 /nfs/dbraw/zinc/84/39/58/654843958.db2.gz FJPJYZAGVMBEGB-UHFFFAOYSA-N 1 2 375.230 2.235 20 0 GEADLO O=C(c1cc(Br)cn2ncnc12)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000934315077 654843961 /nfs/dbraw/zinc/84/39/61/654843961.db2.gz FJPJYZAGVMBEGB-UHFFFAOYSA-N 1 2 375.230 2.235 20 0 GEADLO C[C@@H](NC(=O)Nc1c(Br)cnn1C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000934377693 654848448 /nfs/dbraw/zinc/84/84/48/654848448.db2.gz VZQJOTQZXSVHED-MNOVXSKESA-N 1 2 386.294 2.211 20 0 GEADLO C[C@@](CO)([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1cccc(Br)c1 ZINC000934493951 654850659 /nfs/dbraw/zinc/85/06/59/654850659.db2.gz MSGNCXPWZFCWLY-DYVFJYSZSA-N 1 2 395.301 2.074 20 0 GEADLO FC(F)(F)Oc1ccc(C[NH+]2CCN(CN3CCOC3=S)CC2)cc1 ZINC000914570412 654855198 /nfs/dbraw/zinc/85/51/98/654855198.db2.gz IPNJPQTWGOPDJM-UHFFFAOYSA-N 1 2 375.416 2.277 20 0 GEADLO CCC(C)(C)NC(=O)C[NH2+][C@H](CO)c1ccccc1I ZINC000934830361 654863139 /nfs/dbraw/zinc/86/31/39/654863139.db2.gz SAZGHFHSUQMXDJ-CYBMUJFWSA-N 1 2 390.265 2.219 20 0 GEADLO C[C@@H]([NH2+][C@H](CO)c1ccccc1I)C(=O)NC(C)(C)C ZINC000934830653 654863190 /nfs/dbraw/zinc/86/31/90/654863190.db2.gz UHZGYSSQHRBZJM-ZWNOBZJWSA-N 1 2 390.265 2.217 20 0 GEADLO CN(Cc1ncc(Br)cn1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000915177764 654864940 /nfs/dbraw/zinc/86/49/40/654864940.db2.gz SSEGCZZCBNBUMC-UHFFFAOYSA-N 1 2 390.285 2.396 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000915340413 654868875 /nfs/dbraw/zinc/86/88/75/654868875.db2.gz IEKJWFITAWFMSJ-LBPRGKRZSA-N 1 2 385.295 2.390 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc2c(Br)cnn2c1 ZINC000935713798 654912168 /nfs/dbraw/zinc/91/21/68/654912168.db2.gz VUWHLCHHHRNQRI-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc2c(Br)cnn2c1 ZINC000935713798 654912172 /nfs/dbraw/zinc/91/21/72/654912172.db2.gz VUWHLCHHHRNQRI-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO O=C(c1ncc(Br)cn1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000935913732 654926526 /nfs/dbraw/zinc/92/65/26/654926526.db2.gz CNURZQOEVKAAAN-UHFFFAOYSA-N 1 2 396.314 2.474 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935931778 654928089 /nfs/dbraw/zinc/92/80/89/654928089.db2.gz FBHMKASQMKTUCH-GXTWGEPZSA-N 1 2 393.285 2.032 20 0 GEADLO CC1([NH2+]Cc2nnsc2Cl)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000940223588 654936728 /nfs/dbraw/zinc/93/67/28/654936728.db2.gz RHHRKWDPHMJXAI-QXJJFIIZSA-N 1 2 382.917 2.086 20 0 GEADLO FC(F)(COc1cncc(Cl)n1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676570 719566181 /nfs/dbraw/zinc/56/61/81/719566181.db2.gz JATLMDCLYCZGDZ-UHFFFAOYSA-N 1 2 396.785 2.393 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cc(OC)ccc2n1 ZINC001164706766 719849133 /nfs/dbraw/zinc/84/91/33/719849133.db2.gz YKIYIYMYKGLZIH-JTSKRJEESA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc2cccc(C)c2n1 ZINC001164698738 719851316 /nfs/dbraw/zinc/85/13/16/719851316.db2.gz DJWQEIOLRSCUSI-IERDGZPVSA-N 1 2 384.480 2.171 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cnc1Cl ZINC001164700137 719851921 /nfs/dbraw/zinc/85/19/21/719851921.db2.gz GQNJBFYBUOQKGN-BZNIZROVSA-N 1 2 389.283 2.016 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1[C@@H](F)c1ccnc(Cl)c1 ZINC001164698830 719853653 /nfs/dbraw/zinc/85/36/53/719853653.db2.gz DWQXKXLCZCIPTM-LESCRADOSA-N 1 2 385.867 2.431 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(OC(C)C)ccn1 ZINC001164704702 719857897 /nfs/dbraw/zinc/85/78/97/719857897.db2.gz SKIZHOKVBSQEBB-UZLBHIALSA-N 1 2 377.485 2.102 20 0 GEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3occc3n1)C2 ZINC001164833036 720458479 /nfs/dbraw/zinc/45/84/79/720458479.db2.gz WWJXAJYPHJODGP-MRXNPFEDSA-N 1 2 397.479 2.014 20 0 GEADLO c1cc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2o1 ZINC001164914613 721786683 /nfs/dbraw/zinc/78/66/83/721786683.db2.gz FJJDDJIMLLAPCC-OAQYLSRUSA-N 1 2 380.448 2.331 20 0 GEADLO c1cc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2o1 ZINC001164914613 721786688 /nfs/dbraw/zinc/78/66/88/721786688.db2.gz FJJDDJIMLLAPCC-OAQYLSRUSA-N 1 2 380.448 2.331 20 0 GEADLO CCc1cc(N2CCN(CCOc3ccccc3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001165045519 721957793 /nfs/dbraw/zinc/95/77/93/721957793.db2.gz WOETZNKECFLNAO-UHFFFAOYSA-N 1 2 397.523 2.077 20 0 GEADLO COC[C@]12COC[C@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164951982 721992345 /nfs/dbraw/zinc/99/23/45/721992345.db2.gz NWKGINHQEWLMCF-XMSQKQJNSA-N 1 2 380.492 2.134 20 0 GEADLO COC[C@]12COC[C@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164951982 721992350 /nfs/dbraw/zinc/99/23/50/721992350.db2.gz NWKGINHQEWLMCF-XMSQKQJNSA-N 1 2 380.492 2.134 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cc4ccc(Br)cn4n3)C[C@@H]21 ZINC000482050391 531393200 /nfs/dbraw/zinc/39/32/00/531393200.db2.gz PKNDXHRGNZIAOE-UONOGXRCSA-N 1 2 394.273 2.034 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cc4ccc(Br)cn4n3)C[C@@H]21 ZINC000482050391 531393203 /nfs/dbraw/zinc/39/32/03/531393203.db2.gz PKNDXHRGNZIAOE-UONOGXRCSA-N 1 2 394.273 2.034 20 0 GEADLO O=C1C[N@H+](CCCNc2ccc3cc(Br)c(F)cc3n2)CCN1 ZINC000485972015 531443083 /nfs/dbraw/zinc/44/30/83/531443083.db2.gz BDVWFOOQVMHSAY-UHFFFAOYSA-N 1 2 381.249 2.370 20 0 GEADLO O=C1C[N@@H+](CCCNc2ccc3cc(Br)c(F)cc3n2)CCN1 ZINC000485972015 531443087 /nfs/dbraw/zinc/44/30/87/531443087.db2.gz BDVWFOOQVMHSAY-UHFFFAOYSA-N 1 2 381.249 2.370 20 0 GEADLO C[C@H](CC[S@](C)=O)Nc1nc(N[C@@H](C)CC[S@@](C)=O)[nH+]cc1Cl ZINC000489950598 531515818 /nfs/dbraw/zinc/51/58/18/531515818.db2.gz DYGWUEMUJILATF-WFMHOHPDSA-N 1 2 380.967 2.268 20 0 GEADLO Cn1ccc(N2CCC[C@@H]([N@H+](C)Cc3cc(Br)cn3C)C2=O)n1 ZINC000151455176 531501878 /nfs/dbraw/zinc/50/18/78/531501878.db2.gz NXLNJMMSOBKETJ-CQSZACIVSA-N 1 2 380.290 2.149 20 0 GEADLO Cn1ccc(N2CCC[C@@H]([N@@H+](C)Cc3cc(Br)cn3C)C2=O)n1 ZINC000151455176 531501882 /nfs/dbraw/zinc/50/18/82/531501882.db2.gz NXLNJMMSOBKETJ-CQSZACIVSA-N 1 2 380.290 2.149 20 0 GEADLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000151463568 531504361 /nfs/dbraw/zinc/50/43/61/531504361.db2.gz AYDWGTWEDUBJEN-UHFFFAOYSA-N 1 2 386.823 2.312 20 0 GEADLO CSc1cc(C(=O)N(CCO)CC[NH+]2CCOCC2)c(Cl)cc1Cl ZINC000152389096 531547365 /nfs/dbraw/zinc/54/73/65/531547365.db2.gz RPYDJUPPGMBPAI-UHFFFAOYSA-N 1 2 393.336 2.482 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)C[C@@H]21 ZINC000152629452 531563026 /nfs/dbraw/zinc/56/30/26/531563026.db2.gz MVRJWOIKDYHTDA-JKSUJKDBSA-N 1 2 381.263 2.334 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)C[C@@H]21 ZINC000152629452 531563030 /nfs/dbraw/zinc/56/30/30/531563030.db2.gz MVRJWOIKDYHTDA-JKSUJKDBSA-N 1 2 381.263 2.334 20 0 GEADLO O=C(C[N@H+]1CCCN(C(=O)c2cc(Cl)ncc2Cl)CC1)N1CCCC1 ZINC000153365767 531596096 /nfs/dbraw/zinc/59/60/96/531596096.db2.gz SXPKLDTUGHUKAI-UHFFFAOYSA-N 1 2 385.295 2.159 20 0 GEADLO O=C(C[N@@H+]1CCCN(C(=O)c2cc(Cl)ncc2Cl)CC1)N1CCCC1 ZINC000153365767 531596105 /nfs/dbraw/zinc/59/61/05/531596105.db2.gz SXPKLDTUGHUKAI-UHFFFAOYSA-N 1 2 385.295 2.159 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000153518278 531603855 /nfs/dbraw/zinc/60/38/55/531603855.db2.gz BQRPNVYIEOMMAT-CYBMUJFWSA-N 1 2 382.302 2.458 20 0 GEADLO CCCCN(C(=O)CSc1[nH+]cc2ccccn21)[C@@H]1CCS(=O)(=O)C1 ZINC000025037841 531610496 /nfs/dbraw/zinc/61/04/96/531610496.db2.gz YHHDBPWREHVEJI-OAHLLOKOSA-N 1 2 381.523 2.242 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(Br)c[nH]1 ZINC000027674176 531626874 /nfs/dbraw/zinc/62/68/74/531626874.db2.gz MTQRCTXXUBEBFU-OAHLLOKOSA-N 1 2 378.270 2.408 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(Br)c[nH]1 ZINC000027674176 531626881 /nfs/dbraw/zinc/62/68/81/531626881.db2.gz MTQRCTXXUBEBFU-OAHLLOKOSA-N 1 2 378.270 2.408 20 0 GEADLO C[C@@H](CNC(=O)NC1(c2ccc(Br)cc2)CC1)[NH+]1CCOCC1 ZINC000154742231 531628894 /nfs/dbraw/zinc/62/88/94/531628894.db2.gz AUKGXBJDOGQPCC-ZDUSSCGKSA-N 1 2 382.302 2.458 20 0 GEADLO CC[C@@H](C)[C@H](NC(=O)C[N@H+](C)Cc1ccc(Br)o1)C(=O)OC ZINC000030973643 531643749 /nfs/dbraw/zinc/64/37/49/531643749.db2.gz MSSQFMYKIDIYME-YGRLFVJLSA-N 1 2 375.263 2.178 20 0 GEADLO CC[C@@H](C)[C@H](NC(=O)C[N@@H+](C)Cc1ccc(Br)o1)C(=O)OC ZINC000030973643 531643755 /nfs/dbraw/zinc/64/37/55/531643755.db2.gz MSSQFMYKIDIYME-YGRLFVJLSA-N 1 2 375.263 2.178 20 0 GEADLO CN(C)S(=O)(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030521021 531639942 /nfs/dbraw/zinc/63/99/42/531639942.db2.gz UMZYSTIQYQUIDB-UHFFFAOYSA-N 1 2 383.514 2.478 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cccs2)cc1S(=O)(=O)N(C)C ZINC000030919324 531641878 /nfs/dbraw/zinc/64/18/78/531641878.db2.gz JXGAVFALNQNUGU-UHFFFAOYSA-N 1 2 381.523 2.377 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cccs2)cc1S(=O)(=O)N(C)C ZINC000030919324 531641889 /nfs/dbraw/zinc/64/18/89/531641889.db2.gz JXGAVFALNQNUGU-UHFFFAOYSA-N 1 2 381.523 2.377 20 0 GEADLO CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1ccccc1Br ZINC000041638733 531668268 /nfs/dbraw/zinc/66/82/68/531668268.db2.gz YVOIUUKBWXXXGV-UHFFFAOYSA-N 1 2 377.242 2.165 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000155044951 531652263 /nfs/dbraw/zinc/65/22/63/531652263.db2.gz SKBYOWGHTFEKMZ-UHFFFAOYSA-N 1 2 375.372 2.339 20 0 GEADLO CCS(=O)(=O)NCCCSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000155266553 531671140 /nfs/dbraw/zinc/67/11/40/531671140.db2.gz NAOBKCDSRPQRDZ-UHFFFAOYSA-N 1 2 377.495 2.237 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000155202366 531664232 /nfs/dbraw/zinc/66/42/32/531664232.db2.gz FWDIONZZJBWUJU-OAHLLOKOSA-N 1 2 391.269 2.067 20 0 GEADLO Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)C[NH+]2CCOCC2)c(Br)c1 ZINC000044535584 531683287 /nfs/dbraw/zinc/68/32/87/531683287.db2.gz KLIQTXRDNXZPKM-KGLIPLIRSA-N 1 2 385.302 2.362 20 0 GEADLO CC[C@@H](C)NC(=O)CN1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000044742388 531686066 /nfs/dbraw/zinc/68/60/66/531686066.db2.gz SNIOPEYWELIMQZ-OAHLLOKOSA-N 1 2 398.345 2.360 20 0 GEADLO CC[C@H](C)NC(=O)CN1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000044742389 531686108 /nfs/dbraw/zinc/68/61/08/531686108.db2.gz SNIOPEYWELIMQZ-HNNXBMFYSA-N 1 2 398.345 2.360 20 0 GEADLO CS(=O)(=O)Nc1ccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000042802012 531671786 /nfs/dbraw/zinc/67/17/86/531671786.db2.gz UQMNTDRWMVCGNT-UHFFFAOYSA-N 1 2 378.841 2.289 20 0 GEADLO COc1ccc(C(=O)NCCc2c[nH+]cn2C)c(I)c1 ZINC000155644877 531694560 /nfs/dbraw/zinc/69/45/60/531694560.db2.gz OTYKSIZNDZLBPW-UHFFFAOYSA-N 1 2 385.205 2.006 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000155554709 531690228 /nfs/dbraw/zinc/69/02/28/531690228.db2.gz WMOSBYLWAPAZKD-UHFFFAOYSA-N 1 2 380.539 2.451 20 0 GEADLO CN(Cc1ccco1)C(=O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000048059791 531725010 /nfs/dbraw/zinc/72/50/10/531725010.db2.gz BKKDMMFMCJVGPV-UHFFFAOYSA-N 1 2 393.285 2.218 20 0 GEADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000048059748 531726229 /nfs/dbraw/zinc/72/62/29/531726229.db2.gz OMCFMCHSYCVIPK-CQSZACIVSA-N 1 2 381.318 2.367 20 0 GEADLO CS(=O)(=O)c1ccc(NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cn1 ZINC000048290107 531727834 /nfs/dbraw/zinc/72/78/34/531727834.db2.gz IZXCXGZUJUHCFK-UHFFFAOYSA-N 1 2 379.829 2.108 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCc1ccc(Br)s1 ZINC000048385170 531731056 /nfs/dbraw/zinc/73/10/56/531731056.db2.gz PMHWRTNSYJPXOZ-NSHDSACASA-N 1 2 376.320 2.073 20 0 GEADLO COC(=O)[C@H]1CCCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000157330393 531740570 /nfs/dbraw/zinc/74/05/70/531740570.db2.gz UWEUIDFNTQUPQP-NSHDSACASA-N 1 2 395.257 2.191 20 0 GEADLO Cc1csc(NC(=O)C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)n1 ZINC000051098270 531740829 /nfs/dbraw/zinc/74/08/29/531740829.db2.gz QWOOXCPEKLYZLJ-UHFFFAOYSA-N 1 2 378.523 2.654 20 0 GEADLO C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@H](C)O1 ZINC000051118640 531740956 /nfs/dbraw/zinc/74/09/56/531740956.db2.gz RJWJHZXXMSKDBE-BETUJISGSA-N 1 2 387.311 2.146 20 0 GEADLO C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@H](C)O1 ZINC000051118640 531740958 /nfs/dbraw/zinc/74/09/58/531740958.db2.gz RJWJHZXXMSKDBE-BETUJISGSA-N 1 2 387.311 2.146 20 0 GEADLO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N(C)c3nccs3)CC2)s1 ZINC000051098165 531741108 /nfs/dbraw/zinc/74/11/08/531741108.db2.gz AKSUHMBPYQUIJP-UHFFFAOYSA-N 1 2 378.523 2.370 20 0 GEADLO CC[C@H]1C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCO1 ZINC000051737278 531744763 /nfs/dbraw/zinc/74/47/63/531744763.db2.gz APNHIBJBJBJKPO-AWEZNQCLSA-N 1 2 387.311 2.148 20 0 GEADLO CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCO1 ZINC000051737278 531744767 /nfs/dbraw/zinc/74/47/67/531744767.db2.gz APNHIBJBJBJKPO-AWEZNQCLSA-N 1 2 387.311 2.148 20 0 GEADLO CCN(CC)C(=O)C[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000053066281 531755137 /nfs/dbraw/zinc/75/51/37/531755137.db2.gz SWIZFGCFVCEHEM-UHFFFAOYSA-N 1 2 384.318 2.208 20 0 GEADLO CCN(CC)C(=O)C[N@@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000053066281 531755142 /nfs/dbraw/zinc/75/51/42/531755142.db2.gz SWIZFGCFVCEHEM-UHFFFAOYSA-N 1 2 384.318 2.208 20 0 GEADLO O=C(CNC(=O)c1ccsc1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000055320836 531790046 /nfs/dbraw/zinc/79/00/46/531790046.db2.gz ANAAJVWBIFYSKF-UHFFFAOYSA-N 1 2 393.266 2.205 20 0 GEADLO Cc1ccsc1C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000057895553 531824719 /nfs/dbraw/zinc/82/47/19/531824719.db2.gz KVMUJDNNRQRYPT-UHFFFAOYSA-N 1 2 379.507 2.245 20 0 GEADLO CSc1nnc(CNC(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)s1 ZINC000623918232 531828112 /nfs/dbraw/zinc/82/81/12/531828112.db2.gz MCMZMANMKIANFU-UHFFFAOYSA-N 1 2 381.531 2.393 20 0 GEADLO CSc1ccc(S(=O)(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000064595424 531868432 /nfs/dbraw/zinc/86/84/32/531868432.db2.gz QWNMHUQDGNFGQD-UHFFFAOYSA-N 1 2 379.507 2.119 20 0 GEADLO CS(=O)(=O)CCCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163631164 531863766 /nfs/dbraw/zinc/86/37/66/531863766.db2.gz ONNBRASPOSMYRT-UHFFFAOYSA-N 1 2 389.359 2.392 20 0 GEADLO CCN1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000064030362 531863938 /nfs/dbraw/zinc/86/39/38/531863938.db2.gz DEEKIUSXBLHBNF-CYBMUJFWSA-N 1 2 377.710 2.480 20 0 GEADLO Cc1cc(Cl)c(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1Cl ZINC000163951827 531865580 /nfs/dbraw/zinc/86/55/80/531865580.db2.gz PFJGPCWJPJKJOQ-NWDGAFQWSA-N 1 2 388.295 2.466 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccccc2OC(F)F)C[C@H](C)O1 ZINC000170658074 531886955 /nfs/dbraw/zinc/88/69/55/531886955.db2.gz OZRWCZUXVUZJME-BETUJISGSA-N 1 2 378.441 2.066 20 0 GEADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccccc2OC(F)F)C[C@H](C)O1 ZINC000170658074 531886958 /nfs/dbraw/zinc/88/69/58/531886958.db2.gz OZRWCZUXVUZJME-BETUJISGSA-N 1 2 378.441 2.066 20 0 GEADLO O=C(NCCc1ccccc1Cl)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000067733018 531889019 /nfs/dbraw/zinc/88/90/19/531889019.db2.gz OXSVCVDSISQLCS-GOSISDBHSA-N 1 2 383.945 2.390 20 0 GEADLO O=S(=O)(c1ccc(F)cc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069868264 531913558 /nfs/dbraw/zinc/91/35/58/531913558.db2.gz GGYPPFSDZIUUMI-CYBMUJFWSA-N 1 2 376.881 2.212 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1ccsc1 ZINC000069924320 531913919 /nfs/dbraw/zinc/91/39/19/531913919.db2.gz NEAALMKWJKQIQI-DZGCQCFKSA-N 1 2 375.560 2.206 20 0 GEADLO O=C(Cc1cc2c(cc1Br)OCCO2)NCCCn1cc[nH+]c1 ZINC000171279404 531901768 /nfs/dbraw/zinc/90/17/68/531901768.db2.gz MLKNVUXTPSQTJM-UHFFFAOYSA-N 1 2 380.242 2.166 20 0 GEADLO C[C@@H](NC(=O)c1[nH]nc2ccc(Br)cc21)[C@H](C)[NH+]1CCOCC1 ZINC000171808120 531918490 /nfs/dbraw/zinc/91/84/90/531918490.db2.gz QZFALLRHBUZAPM-MNOVXSKESA-N 1 2 381.274 2.164 20 0 GEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1csc(-c2ccsc2)n1 ZINC000171938491 531924961 /nfs/dbraw/zinc/92/49/61/531924961.db2.gz XCFHGENUMJCBDR-UHFFFAOYSA-N 1 2 381.523 2.179 20 0 GEADLO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1Cl)C[NH+]1CCN(C)CC1 ZINC000071972585 531916056 /nfs/dbraw/zinc/91/60/56/531916056.db2.gz SSKMRJLVJNOTEL-GFCCVEGCSA-N 1 2 380.341 2.155 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(-c3sc(C)nc3C)o2)CC1 ZINC000105707772 531941424 /nfs/dbraw/zinc/94/14/24/531941424.db2.gz NOUHNQNEMIEESX-NSHDSACASA-N 1 2 381.527 2.455 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCCC[C@H](SCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000112090374 531944128 /nfs/dbraw/zinc/94/41/28/531944128.db2.gz PNYIEOKEZOIXDE-IRXDYDNUSA-N 1 2 390.615 2.410 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCCC[C@H](SCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000112090374 531944134 /nfs/dbraw/zinc/94/41/34/531944134.db2.gz PNYIEOKEZOIXDE-IRXDYDNUSA-N 1 2 390.615 2.410 20 0 GEADLO O=C(C[NH+]1CCN(Cc2ccc(Br)cn2)CC1)NC1CCCCC1 ZINC000112200544 531945630 /nfs/dbraw/zinc/94/56/30/531945630.db2.gz CTWIHQFVEIHWOQ-UHFFFAOYSA-N 1 2 395.345 2.411 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCCc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000172335799 531947902 /nfs/dbraw/zinc/94/79/02/531947902.db2.gz VWZZHXKQJLHDHO-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO Cc1ncsc1CC[NH+]1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000172526334 531958179 /nfs/dbraw/zinc/95/81/79/531958179.db2.gz WZAGZOABBRPSPZ-UHFFFAOYSA-N 1 2 386.587 2.121 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1cc(F)c(F)c(F)c1 ZINC000119276815 531963145 /nfs/dbraw/zinc/96/31/45/531963145.db2.gz VZCXZKOWIAWUKA-MRXNPFEDSA-N 1 2 375.416 2.433 20 0 GEADLO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172759546 531967570 /nfs/dbraw/zinc/96/75/70/531967570.db2.gz COBVVXDQEHZYKR-GVDBMIGSSA-N 1 2 379.298 2.486 20 0 GEADLO CCO[C@@H](C)c1nc(CN2CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2)cs1 ZINC000119443030 531968572 /nfs/dbraw/zinc/96/85/72/531968572.db2.gz PVYMINXAAJEJBJ-CABCVRRESA-N 1 2 389.587 2.039 20 0 GEADLO Cn1cc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)nc1Cl ZINC000120254703 531979805 /nfs/dbraw/zinc/97/98/05/531979805.db2.gz RKXKVMPBPKZKRA-ZDUSSCGKSA-N 1 2 377.857 2.263 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1Br ZINC000120317373 531981932 /nfs/dbraw/zinc/98/19/32/531981932.db2.gz FIGQYSRCKDPPNK-ZDUSSCGKSA-N 1 2 389.315 2.114 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1Br ZINC000120317373 531981934 /nfs/dbraw/zinc/98/19/34/531981934.db2.gz FIGQYSRCKDPPNK-ZDUSSCGKSA-N 1 2 389.315 2.114 20 0 GEADLO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000120576237 531983663 /nfs/dbraw/zinc/98/36/63/531983663.db2.gz DTDWKNXADIATDA-AWEZNQCLSA-N 1 2 384.889 2.428 20 0 GEADLO CC[C@@H](O)C[NH+]1CCN(C(=O)c2sc(C)c(Br)c2OC)CC1 ZINC000173106065 531987770 /nfs/dbraw/zinc/98/77/70/531987770.db2.gz CVAUOEUPCDPNAZ-LLVKDONJSA-N 1 2 391.331 2.356 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000121085749 532011504 /nfs/dbraw/zinc/01/15/04/532011504.db2.gz AWSGQPHQDYFRPS-QWRGUYRKSA-N 1 2 385.287 2.075 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000121085749 532011510 /nfs/dbraw/zinc/01/15/10/532011510.db2.gz AWSGQPHQDYFRPS-QWRGUYRKSA-N 1 2 385.287 2.075 20 0 GEADLO O=C(CN1CCC[C@H]1C[NH+]1CCOCC1)Nc1ccccc1Br ZINC000173688258 532025601 /nfs/dbraw/zinc/02/56/01/532025601.db2.gz HUFMPFUQHUYDQL-AWEZNQCLSA-N 1 2 382.302 2.184 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1SCCc2ccccc21 ZINC000173760954 532030234 /nfs/dbraw/zinc/03/02/34/532030234.db2.gz DTVXQPJVVGRHRG-MJGOQNOKSA-N 1 2 378.563 2.341 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000173764232 532032112 /nfs/dbraw/zinc/03/21/12/532032112.db2.gz IOSHGHRZAKDGHW-MLGOLLRUSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000173764232 532032121 /nfs/dbraw/zinc/03/21/21/532032121.db2.gz IOSHGHRZAKDGHW-MLGOLLRUSA-N 1 2 383.286 2.196 20 0 GEADLO CCS[C@H](C)c1noc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)n1 ZINC000121504457 532032514 /nfs/dbraw/zinc/03/25/14/532032514.db2.gz GRLRJECSAHSOBG-CHWSQXEVSA-N 1 2 376.548 2.178 20 0 GEADLO CCS[C@H](C)c1noc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)n1 ZINC000121504457 532032519 /nfs/dbraw/zinc/03/25/19/532032519.db2.gz GRLRJECSAHSOBG-CHWSQXEVSA-N 1 2 376.548 2.178 20 0 GEADLO C[N@H+](Cc1noc(-c2cccc(Cl)c2)n1)C1CCN(S(C)(=O)=O)CC1 ZINC000121552180 532034343 /nfs/dbraw/zinc/03/43/43/532034343.db2.gz YNUKLCOCXPZPDK-UHFFFAOYSA-N 1 2 384.889 2.246 20 0 GEADLO C[N@@H+](Cc1noc(-c2cccc(Cl)c2)n1)C1CCN(S(C)(=O)=O)CC1 ZINC000121552180 532034349 /nfs/dbraw/zinc/03/43/49/532034349.db2.gz YNUKLCOCXPZPDK-UHFFFAOYSA-N 1 2 384.889 2.246 20 0 GEADLO COCC[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000121620255 532038986 /nfs/dbraw/zinc/03/89/86/532038986.db2.gz DXHVCZKDPBZBRS-IUODEOHRSA-N 1 2 382.309 2.162 20 0 GEADLO COCC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000121620255 532038994 /nfs/dbraw/zinc/03/89/94/532038994.db2.gz DXHVCZKDPBZBRS-IUODEOHRSA-N 1 2 382.309 2.162 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2csc(Br)c2)CC1 ZINC000174129486 532052202 /nfs/dbraw/zinc/05/22/02/532052202.db2.gz UANBFOQLQOSUDN-LLVKDONJSA-N 1 2 388.331 2.022 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2csc(Br)c2)CC1 ZINC000174129486 532052204 /nfs/dbraw/zinc/05/22/04/532052204.db2.gz UANBFOQLQOSUDN-LLVKDONJSA-N 1 2 388.331 2.022 20 0 GEADLO Cn1cnc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)c1Cl ZINC000174264585 532058564 /nfs/dbraw/zinc/05/85/64/532058564.db2.gz OCHIWAOXLALYFE-ZDUSSCGKSA-N 1 2 377.857 2.263 20 0 GEADLO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc(Cl)c1O ZINC000174315524 532059107 /nfs/dbraw/zinc/05/91/07/532059107.db2.gz YTRHPWTUXSVIFL-SNVBAGLBSA-N 1 2 390.709 2.174 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCCc2nc(C(F)(F)F)cs2)CCO1 ZINC000174547824 532069191 /nfs/dbraw/zinc/06/91/91/532069191.db2.gz RNMMBCASIYHVHA-UHFFFAOYSA-N 1 2 380.436 2.114 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCCc2nc(C(F)(F)F)cs2)CCO1 ZINC000174547824 532069196 /nfs/dbraw/zinc/06/91/96/532069196.db2.gz RNMMBCASIYHVHA-UHFFFAOYSA-N 1 2 380.436 2.114 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000122402147 532068107 /nfs/dbraw/zinc/06/81/07/532068107.db2.gz IHNPSWUFPJGYLV-UHFFFAOYSA-N 1 2 376.873 2.405 20 0 GEADLO CC(C)N1CC[C@H]([NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)C1=O ZINC000175154556 532091560 /nfs/dbraw/zinc/09/15/60/532091560.db2.gz DWKVVYDJNIZGSZ-INIZCTEOSA-N 1 2 394.313 2.216 20 0 GEADLO COc1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)sc1Br ZINC000123132529 532093389 /nfs/dbraw/zinc/09/33/89/532093389.db2.gz YQAPUHVNCWKRGL-UHFFFAOYSA-N 1 2 377.304 2.360 20 0 GEADLO CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1cc(Br)ccc1F ZINC000123221167 532095168 /nfs/dbraw/zinc/09/51/68/532095168.db2.gz USEVPVVGEWBDEB-NSHDSACASA-N 1 2 388.281 2.003 20 0 GEADLO CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1cc(Br)ccc1F ZINC000123221167 532095173 /nfs/dbraw/zinc/09/51/73/532095173.db2.gz USEVPVVGEWBDEB-NSHDSACASA-N 1 2 388.281 2.003 20 0 GEADLO Cc1cscc1C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000175401288 532102859 /nfs/dbraw/zinc/10/28/59/532102859.db2.gz JDZXJHQOYBAKEW-UHFFFAOYSA-N 1 2 379.507 2.245 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000123559594 532102987 /nfs/dbraw/zinc/10/29/87/532102987.db2.gz GAKFQQKPOWWVDP-GFCCVEGCSA-N 1 2 388.892 2.418 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000123559594 532102989 /nfs/dbraw/zinc/10/29/89/532102989.db2.gz GAKFQQKPOWWVDP-GFCCVEGCSA-N 1 2 388.892 2.418 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+](C2CCOCC2)CC1 ZINC000175464372 532103746 /nfs/dbraw/zinc/10/37/46/532103746.db2.gz CYIALSZWVHPIFK-UHFFFAOYSA-N 1 2 379.309 2.479 20 0 GEADLO CCc1cnc(C[N@H+](C)CCOc2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000175523785 532106174 /nfs/dbraw/zinc/10/61/74/532106174.db2.gz HSDBLOAZCMGYBI-UHFFFAOYSA-N 1 2 383.539 2.467 20 0 GEADLO CCc1cnc(C[N@@H+](C)CCOc2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000175523785 532106177 /nfs/dbraw/zinc/10/61/77/532106177.db2.gz HSDBLOAZCMGYBI-UHFFFAOYSA-N 1 2 383.539 2.467 20 0 GEADLO C[C@@H]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000123831517 532108782 /nfs/dbraw/zinc/10/87/82/532108782.db2.gz QKXVSLWKFSLOSH-CZUORRHYSA-N 1 2 381.885 2.420 20 0 GEADLO O=S(=O)(CC[N@@H+](CCCCO)C1CC1)c1cccc(Br)c1 ZINC000175679301 532110957 /nfs/dbraw/zinc/11/09/57/532110957.db2.gz BDXFZTUOEVMDRM-UHFFFAOYSA-N 1 2 376.316 2.460 20 0 GEADLO O=S(=O)(CC[N@H+](CCCCO)C1CC1)c1cccc(Br)c1 ZINC000175679301 532110960 /nfs/dbraw/zinc/11/09/60/532110960.db2.gz BDXFZTUOEVMDRM-UHFFFAOYSA-N 1 2 376.316 2.460 20 0 GEADLO O=S(=O)(CCN1CCC[N@@H+](C2CC2)CC1)c1cccc(Br)c1 ZINC000175676491 532110988 /nfs/dbraw/zinc/11/09/88/532110988.db2.gz XTWJJYJSLHIJLD-UHFFFAOYSA-N 1 2 387.343 2.393 20 0 GEADLO O=S(=O)(CCN1CCC[N@H+](C2CC2)CC1)c1cccc(Br)c1 ZINC000175676491 532110992 /nfs/dbraw/zinc/11/09/92/532110992.db2.gz XTWJJYJSLHIJLD-UHFFFAOYSA-N 1 2 387.343 2.393 20 0 GEADLO O=C(c1c2c(sc1-n1cccc1)CSCC2)N1CC[NH+](CCO)CC1 ZINC000123476288 532099984 /nfs/dbraw/zinc/09/99/84/532099984.db2.gz JEBDATOFLFKIRD-UHFFFAOYSA-N 1 2 377.535 2.078 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000124344843 532119292 /nfs/dbraw/zinc/11/92/92/532119292.db2.gz BLTQPVHYUJWSQZ-OAHLLOKOSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000124369574 532119464 /nfs/dbraw/zinc/11/94/64/532119464.db2.gz ANPSCTUVKVUJDG-MRXNPFEDSA-N 1 2 390.908 2.496 20 0 GEADLO O=C(c1cc(Br)ccc1O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000124187492 532116083 /nfs/dbraw/zinc/11/60/83/532116083.db2.gz OVXJUCSHCBBSBL-CQSZACIVSA-N 1 2 383.286 2.482 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)c(Br)c2)CC1 ZINC000176538078 532139909 /nfs/dbraw/zinc/13/99/09/532139909.db2.gz UBSHENZYEVUBMV-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)c(Br)c2)CC1 ZINC000176538078 532139911 /nfs/dbraw/zinc/13/99/11/532139911.db2.gz UBSHENZYEVUBMV-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000125153921 532132716 /nfs/dbraw/zinc/13/27/16/532132716.db2.gz LZEATKAOKNOYMZ-UHFFFAOYSA-N 1 2 389.315 2.497 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000125153921 532132718 /nfs/dbraw/zinc/13/27/18/532132718.db2.gz LZEATKAOKNOYMZ-UHFFFAOYSA-N 1 2 389.315 2.497 20 0 GEADLO O=C(c1[nH]nc2ccc(Br)cc21)N1CC[NH+](C2CCOCC2)CC1 ZINC000176824308 532151183 /nfs/dbraw/zinc/15/11/83/532151183.db2.gz OJCNSWUWHFWRNJ-UHFFFAOYSA-N 1 2 393.285 2.262 20 0 GEADLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC000127070603 532152705 /nfs/dbraw/zinc/15/27/05/532152705.db2.gz MMELJYZURBDBLL-STQMWFEESA-N 1 2 376.469 2.272 20 0 GEADLO O=C(Nc1ccc(Br)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127437917 532154000 /nfs/dbraw/zinc/15/40/00/532154000.db2.gz SIEFWHYBJCIRLL-UHFFFAOYSA-N 1 2 389.253 2.131 20 0 GEADLO COc1cc(Br)cc(C)c1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000176919051 532154971 /nfs/dbraw/zinc/15/49/71/532154971.db2.gz HRLAXQVDCVTTRZ-UHFFFAOYSA-N 1 2 395.257 2.108 20 0 GEADLO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000176558158 532140476 /nfs/dbraw/zinc/14/04/76/532140476.db2.gz CLBFQBIDEILUMQ-CZUORRHYSA-N 1 2 389.323 2.324 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000176561884 532140611 /nfs/dbraw/zinc/14/06/11/532140611.db2.gz KLIRTCCQZPNMQC-RRFJBIMHSA-N 1 2 387.307 2.248 20 0 GEADLO NC(=O)[C@@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCO1 ZINC000125729083 532142041 /nfs/dbraw/zinc/14/20/41/532142041.db2.gz KIXJATKXNWBXOH-AWEZNQCLSA-N 1 2 376.869 2.402 20 0 GEADLO NC(=O)[C@@H]1C[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCO1 ZINC000125729083 532142044 /nfs/dbraw/zinc/14/20/44/532142044.db2.gz KIXJATKXNWBXOH-AWEZNQCLSA-N 1 2 376.869 2.402 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000125773941 532143072 /nfs/dbraw/zinc/14/30/72/532143072.db2.gz IGHXWGJIUFLYMU-AWEZNQCLSA-N 1 2 381.274 2.393 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000125773941 532143074 /nfs/dbraw/zinc/14/30/74/532143074.db2.gz IGHXWGJIUFLYMU-AWEZNQCLSA-N 1 2 381.274 2.393 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(C)cc1Br ZINC000125969669 532143661 /nfs/dbraw/zinc/14/36/61/532143661.db2.gz HIDADQURUOMFFU-JSGCOSHPSA-N 1 2 391.331 2.063 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C)cc1Br ZINC000125969669 532143666 /nfs/dbraw/zinc/14/36/66/532143666.db2.gz HIDADQURUOMFFU-JSGCOSHPSA-N 1 2 391.331 2.063 20 0 GEADLO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000126076971 532145190 /nfs/dbraw/zinc/14/51/90/532145190.db2.gz HFNRUQCDUDIVCR-CQSZACIVSA-N 1 2 383.495 2.038 20 0 GEADLO Cc1ccc(Br)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000127637339 532155952 /nfs/dbraw/zinc/15/59/52/532155952.db2.gz JALHRJAZAULZKT-ZDUSSCGKSA-N 1 2 391.331 2.004 20 0 GEADLO CN(C)c1nc(N)nc(C[N@H+](Cc2cccc(Br)c2)C2CC2)n1 ZINC000177004568 532158635 /nfs/dbraw/zinc/15/86/35/532158635.db2.gz KTBDHHBGQMBCBV-UHFFFAOYSA-N 1 2 377.290 2.447 20 0 GEADLO CN(C)c1nc(N)nc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)n1 ZINC000177004568 532158638 /nfs/dbraw/zinc/15/86/38/532158638.db2.gz KTBDHHBGQMBCBV-UHFFFAOYSA-N 1 2 377.290 2.447 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)S1 ZINC000177214257 532164476 /nfs/dbraw/zinc/16/44/76/532164476.db2.gz PJYKVSKQGQEOEG-LLVKDONJSA-N 1 2 377.901 2.185 20 0 GEADLO C[C@H](C(=O)N1CCc2sccc2C1)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000177214625 532164949 /nfs/dbraw/zinc/16/49/49/532164949.db2.gz ZBGQKWBCFHQOFX-UONOGXRCSA-N 1 2 378.567 2.130 20 0 GEADLO C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000177214625 532164955 /nfs/dbraw/zinc/16/49/55/532164955.db2.gz ZBGQKWBCFHQOFX-UONOGXRCSA-N 1 2 378.567 2.130 20 0 GEADLO CN(CC[NH+](C)C)C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000177686196 532178388 /nfs/dbraw/zinc/17/83/88/532178388.db2.gz HLNHUWKRRLNKDG-UHFFFAOYSA-N 1 2 381.523 2.111 20 0 GEADLO Cc1ccc(Br)c(NC(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)c1 ZINC000129770100 532184167 /nfs/dbraw/zinc/18/41/67/532184167.db2.gz CONHRRPDAUJZHX-UHFFFAOYSA-N 1 2 397.317 2.385 20 0 GEADLO Cc1ccc(Br)c(NC(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)c1 ZINC000129770100 532184171 /nfs/dbraw/zinc/18/41/71/532184171.db2.gz CONHRRPDAUJZHX-UHFFFAOYSA-N 1 2 397.317 2.385 20 0 GEADLO O=C1OCC[C@@H]1[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000177454660 532171245 /nfs/dbraw/zinc/17/12/45/532171245.db2.gz LORWJYRQDSRSSA-ZDUSSCGKSA-N 1 2 387.217 2.450 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000129874499 532185612 /nfs/dbraw/zinc/18/56/12/532185612.db2.gz YHLHXNAGGZBMDG-UHFFFAOYSA-N 1 2 383.221 2.272 20 0 GEADLO O=C(CCc1ccc(Cl)cc1Cl)N(CCO)CC[NH+]1CCOCC1 ZINC000130269846 532191086 /nfs/dbraw/zinc/19/10/86/532191086.db2.gz SSLVDIUVJJNFDI-UHFFFAOYSA-N 1 2 375.296 2.079 20 0 GEADLO Cc1ncc(C[N@H+](C)CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)s1 ZINC000178068085 532191907 /nfs/dbraw/zinc/19/19/07/532191907.db2.gz JDYWUFZQLOBLHM-UHFFFAOYSA-N 1 2 377.861 2.151 20 0 GEADLO Cc1ncc(C[N@@H+](C)CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)s1 ZINC000178068085 532191910 /nfs/dbraw/zinc/19/19/10/532191910.db2.gz JDYWUFZQLOBLHM-UHFFFAOYSA-N 1 2 377.861 2.151 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCc2cn3ccccc3[nH+]2)cc1Cl ZINC000130678811 532193787 /nfs/dbraw/zinc/19/37/87/532193787.db2.gz CLCVMZADPQPCMP-UHFFFAOYSA-N 1 2 379.825 2.253 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C)c1ccsc1 ZINC000131463125 532197906 /nfs/dbraw/zinc/19/79/06/532197906.db2.gz BHVPURGVMATEBO-DZKIICNBSA-N 1 2 387.571 2.348 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000131530489 532198658 /nfs/dbraw/zinc/19/86/58/532198658.db2.gz CINFVYNKHBBFAH-CYBMUJFWSA-N 1 2 391.269 2.205 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)CCO1 ZINC000177969992 532187894 /nfs/dbraw/zinc/18/78/94/532187894.db2.gz OWZOGYAMEMPHTP-UHFFFAOYSA-N 1 2 391.299 2.177 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)CCO1 ZINC000177969992 532187897 /nfs/dbraw/zinc/18/78/97/532187897.db2.gz OWZOGYAMEMPHTP-UHFFFAOYSA-N 1 2 391.299 2.177 20 0 GEADLO Cc1ccc(C)c(C[NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1 ZINC000131927285 532206401 /nfs/dbraw/zinc/20/64/01/532206401.db2.gz FZQKNVYTNXTMQQ-UHFFFAOYSA-N 1 2 379.448 2.254 20 0 GEADLO Cc1cc(C)cc(C[NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1 ZINC000131917048 532206912 /nfs/dbraw/zinc/20/69/12/532206912.db2.gz DJQNKMTUPQUKCE-UHFFFAOYSA-N 1 2 379.448 2.254 20 0 GEADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc(C(F)(F)F)ccc1Br ZINC000178726824 532211431 /nfs/dbraw/zinc/21/14/31/532211431.db2.gz LVHYWZCMBSJWQB-NSHDSACASA-N 1 2 392.219 2.198 20 0 GEADLO CN(C(=O)[C@H]1CCCn2cc[nH+]c21)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000178757026 532212152 /nfs/dbraw/zinc/21/21/52/532212152.db2.gz HEQYHCRAIQSOOS-JSGCOSHPSA-N 1 2 379.869 2.401 20 0 GEADLO C[N@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1ccc([S@](C)=O)cc1 ZINC000178429839 532202001 /nfs/dbraw/zinc/20/20/01/532202001.db2.gz SBSXYNBAVUNHCU-DEOSSOPVSA-N 1 2 381.519 2.338 20 0 GEADLO C[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1ccc([S@](C)=O)cc1 ZINC000178429839 532202004 /nfs/dbraw/zinc/20/20/04/532202004.db2.gz SBSXYNBAVUNHCU-DEOSSOPVSA-N 1 2 381.519 2.338 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000131759988 532203730 /nfs/dbraw/zinc/20/37/30/532203730.db2.gz OYXNGSVVTITKNE-OAHLLOKOSA-N 1 2 391.331 2.152 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000131759988 532203731 /nfs/dbraw/zinc/20/37/31/532203731.db2.gz OYXNGSVVTITKNE-OAHLLOKOSA-N 1 2 391.331 2.152 20 0 GEADLO Cc1c(Br)cccc1C[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000133165298 532227488 /nfs/dbraw/zinc/22/74/88/532227488.db2.gz WCXWTGLLHNAIGB-UHFFFAOYSA-N 1 2 390.281 2.404 20 0 GEADLO Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000133317059 532231298 /nfs/dbraw/zinc/23/12/98/532231298.db2.gz HOFQJYYXGOQDIO-STQMWFEESA-N 1 2 391.331 2.145 20 0 GEADLO CC(C)OCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000133338288 532232720 /nfs/dbraw/zinc/23/27/20/532232720.db2.gz HKPJNXZRIWWMDD-IAGOWNOFSA-N 1 2 390.933 2.056 20 0 GEADLO CC(C)OCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000133338288 532232723 /nfs/dbraw/zinc/23/27/23/532232723.db2.gz HKPJNXZRIWWMDD-IAGOWNOFSA-N 1 2 390.933 2.056 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1ccc(-n2cncn2)nc1 ZINC000132878535 532222543 /nfs/dbraw/zinc/22/25/43/532222543.db2.gz VCQIBVKFHPDICV-UHFFFAOYSA-N 1 2 398.224 2.003 20 0 GEADLO O=S(=O)(c1c(F)cccc1Cl)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000132912497 532223858 /nfs/dbraw/zinc/22/38/58/532223858.db2.gz ULSQBWMIIFANKN-CYBMUJFWSA-N 1 2 376.881 2.355 20 0 GEADLO NC(=O)[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(Br)c1 ZINC000179219955 532225266 /nfs/dbraw/zinc/22/52/66/532225266.db2.gz PINBSCJNLXBQTQ-WMLDXEAASA-N 1 2 388.265 2.371 20 0 GEADLO C[C@@H]1CCN(c2ncnc3c2c(Br)nn3C)C[C@@H]1n1cc[nH+]c1 ZINC000134117523 532249827 /nfs/dbraw/zinc/24/98/27/532249827.db2.gz JSGFAQPRGCMAAE-MNOVXSKESA-N 1 2 376.262 2.410 20 0 GEADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000135351139 532270662 /nfs/dbraw/zinc/27/06/62/532270662.db2.gz UMNIYCXTHSIGJL-OAHLLOKOSA-N 1 2 375.252 2.178 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000134350036 532254921 /nfs/dbraw/zinc/25/49/21/532254921.db2.gz FVKWFFZKBVVWEG-GFCCVEGCSA-N 1 2 379.295 2.490 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000134350036 532254923 /nfs/dbraw/zinc/25/49/23/532254923.db2.gz FVKWFFZKBVVWEG-GFCCVEGCSA-N 1 2 379.295 2.490 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000134543764 532258901 /nfs/dbraw/zinc/25/89/01/532258901.db2.gz MTHHQNUBEODGKK-UHFFFAOYSA-N 1 2 388.287 2.365 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)c2cnn(C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180193022 532261047 /nfs/dbraw/zinc/26/10/47/532261047.db2.gz RZQCSZWSPCLNTJ-HOTGVXAUSA-N 1 2 386.880 2.326 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)c2cnn(C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180193022 532261049 /nfs/dbraw/zinc/26/10/49/532261049.db2.gz RZQCSZWSPCLNTJ-HOTGVXAUSA-N 1 2 386.880 2.326 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1Cl ZINC000135743541 532279055 /nfs/dbraw/zinc/27/90/55/532279055.db2.gz SEYMJKDMXKYWBK-OAHLLOKOSA-N 1 2 385.917 2.087 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1Cl ZINC000135743541 532279058 /nfs/dbraw/zinc/27/90/58/532279058.db2.gz SEYMJKDMXKYWBK-OAHLLOKOSA-N 1 2 385.917 2.087 20 0 GEADLO CCCC[N@H+](CCCS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000180794178 532281296 /nfs/dbraw/zinc/28/12/96/532281296.db2.gz UMKHELRFGIKUGY-QGZVFWFLSA-N 1 2 387.567 2.448 20 0 GEADLO CCCC[N@@H+](CCCS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000180794178 532281298 /nfs/dbraw/zinc/28/12/98/532281298.db2.gz UMKHELRFGIKUGY-QGZVFWFLSA-N 1 2 387.567 2.448 20 0 GEADLO COc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)sc1Br ZINC000136228196 532282377 /nfs/dbraw/zinc/28/23/77/532282377.db2.gz OGAIVSBVJFJNRB-LLVKDONJSA-N 1 2 389.315 2.456 20 0 GEADLO C[C@H](NC(=O)C[N@H+](C)C[C@H](O)C(F)(F)F)c1ccc(Br)cc1 ZINC000181265347 532294527 /nfs/dbraw/zinc/29/45/27/532294527.db2.gz KHHPDNUAXGIVNC-CABZTGNLSA-N 1 2 383.208 2.481 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F)c1ccc(Br)cc1 ZINC000181265347 532294530 /nfs/dbraw/zinc/29/45/30/532294530.db2.gz KHHPDNUAXGIVNC-CABZTGNLSA-N 1 2 383.208 2.481 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000181325150 532295593 /nfs/dbraw/zinc/29/55/93/532295593.db2.gz GZJPVFPOIDEJOS-SNVBAGLBSA-N 1 2 389.237 2.324 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000181325150 532295596 /nfs/dbraw/zinc/29/55/96/532295596.db2.gz GZJPVFPOIDEJOS-SNVBAGLBSA-N 1 2 389.237 2.324 20 0 GEADLO O=C(NCCCOCCO)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000181357669 532296279 /nfs/dbraw/zinc/29/62/79/532296279.db2.gz UAJIXYMAITYHDA-INIZCTEOSA-N 1 2 385.302 2.101 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(OC)c(OCC)c2)C1 ZINC000181560486 532301357 /nfs/dbraw/zinc/30/13/57/532301357.db2.gz JYYJBPWASQLUTF-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(OC)c(OCC)c2)C1 ZINC000181560486 532301361 /nfs/dbraw/zinc/30/13/61/532301361.db2.gz JYYJBPWASQLUTF-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NCC[NH+]1CCOCC1 ZINC000151156444 532307785 /nfs/dbraw/zinc/30/77/85/532307785.db2.gz OQRMOAUQDZWJEN-LBPRGKRZSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@H](CN(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1nccs1 ZINC000182312947 532312196 /nfs/dbraw/zinc/31/21/96/532312196.db2.gz SSVSIVDABQNSLK-PBHICJAKSA-N 1 2 384.571 2.096 20 0 GEADLO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000182387058 532312568 /nfs/dbraw/zinc/31/25/68/532312568.db2.gz HOYRJOBQRWYXQC-DZGCQCFKSA-N 1 2 375.918 2.286 20 0 GEADLO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000182387058 532312570 /nfs/dbraw/zinc/31/25/70/532312570.db2.gz HOYRJOBQRWYXQC-DZGCQCFKSA-N 1 2 375.918 2.286 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000182604439 532315118 /nfs/dbraw/zinc/31/51/18/532315118.db2.gz YYIXSWSGGHQPHU-UHFFFAOYSA-N 1 2 389.315 2.020 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000182604439 532315120 /nfs/dbraw/zinc/31/51/20/532315120.db2.gz YYIXSWSGGHQPHU-UHFFFAOYSA-N 1 2 389.315 2.020 20 0 GEADLO CC(=O)N1CC[NH+](Cc2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 ZINC000182762391 532316954 /nfs/dbraw/zinc/31/69/54/532316954.db2.gz ZXMDGBQQFCQFCL-UHFFFAOYSA-N 1 2 379.507 2.213 20 0 GEADLO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000185791529 532338802 /nfs/dbraw/zinc/33/88/02/532338802.db2.gz RUOQGGBDHQNWOT-DYVFJYSZSA-N 1 2 384.929 2.211 20 0 GEADLO O=C(C[NH+]1CCC(Cn2cncn2)CC1)Nc1ccccc1Br ZINC000186259153 532340424 /nfs/dbraw/zinc/34/04/24/532340424.db2.gz YTFMCFWHXBLUSD-UHFFFAOYSA-N 1 2 378.274 2.391 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCCCS(C)(=O)=O)CC1 ZINC000186301087 532340548 /nfs/dbraw/zinc/34/05/48/532340548.db2.gz SEZLYWCZIWRISK-OAHLLOKOSA-N 1 2 387.571 2.351 20 0 GEADLO COC(=O)c1cn(C2CC[NH+](Cc3ccc(Br)cn3)CC2)nn1 ZINC000183739928 532328214 /nfs/dbraw/zinc/32/82/14/532328214.db2.gz YVJUPEAOQIWZKR-UHFFFAOYSA-N 1 2 380.246 2.059 20 0 GEADLO NC(=O)C1([NH2+]Cc2coc(-c3ccc(I)cc3)n2)CC1 ZINC000183835309 532329271 /nfs/dbraw/zinc/32/92/71/532329271.db2.gz ZISXGQBAIZSOPP-UHFFFAOYSA-N 1 2 383.189 2.054 20 0 GEADLO COC(=O)CC1(CS(=O)(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CC1 ZINC000183838115 532329427 /nfs/dbraw/zinc/32/94/27/532329427.db2.gz DRNIYTNUSZSNDD-CQSZACIVSA-N 1 2 386.539 2.100 20 0 GEADLO Cc1nc(N2CCN(C(=O)Nc3ccc(Br)nc3)CC2)cc[nH+]1 ZINC000184094702 532330904 /nfs/dbraw/zinc/33/09/04/532330904.db2.gz CWIOJFCNYXCSRQ-UHFFFAOYSA-N 1 2 377.246 2.297 20 0 GEADLO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)NCC[NH+]1CCOCC1 ZINC000184208871 532331497 /nfs/dbraw/zinc/33/14/97/532331497.db2.gz XUJGFYVOVZCZBY-UHFFFAOYSA-N 1 2 391.299 2.177 20 0 GEADLO CCCCN(C(=O)C[NH2+][C@@H](CC)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000184414131 532332486 /nfs/dbraw/zinc/33/24/86/532332486.db2.gz WNSXTMAZUQBLLL-GJZGRUSLSA-N 1 2 387.571 2.308 20 0 GEADLO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1nnnn1-c1ccccc1 ZINC000184820047 532334825 /nfs/dbraw/zinc/33/48/25/532334825.db2.gz CUNOETNYFPUKGX-LLVKDONJSA-N 1 2 376.873 2.344 20 0 GEADLO COC(=O)[C@H](O)C1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000184989131 532336418 /nfs/dbraw/zinc/33/64/18/532336418.db2.gz OPSRWLQTVFPJJP-OAHLLOKOSA-N 1 2 382.258 2.071 20 0 GEADLO COC(=O)[C@H](O)C1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000184989131 532336419 /nfs/dbraw/zinc/33/64/19/532336419.db2.gz OPSRWLQTVFPJJP-OAHLLOKOSA-N 1 2 382.258 2.071 20 0 GEADLO C[C@H]1C[N@H+](CCSc2nnc(-c3ccccc3Br)n2N)CCO1 ZINC000188194713 532347223 /nfs/dbraw/zinc/34/72/23/532347223.db2.gz CAZUUTZETYXPOL-NSHDSACASA-N 1 2 398.330 2.234 20 0 GEADLO C[C@H]1C[N@@H+](CCSc2nnc(-c3ccccc3Br)n2N)CCO1 ZINC000188194713 532347224 /nfs/dbraw/zinc/34/72/24/532347224.db2.gz CAZUUTZETYXPOL-NSHDSACASA-N 1 2 398.330 2.234 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000188460067 532348267 /nfs/dbraw/zinc/34/82/67/532348267.db2.gz FWPPKYFJHCILCP-HNNXBMFYSA-N 1 2 391.269 2.032 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000188708917 532349208 /nfs/dbraw/zinc/34/92/08/532349208.db2.gz XRTYEMMKLNELEW-CQSZACIVSA-N 1 2 395.345 2.153 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)ncc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000188848373 532349852 /nfs/dbraw/zinc/34/98/52/532349852.db2.gz JQYPGFGYHUCVLY-UWVGGRQHSA-N 1 2 376.682 2.337 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)NCCc1ccc(I)s1 ZINC000188865375 532349912 /nfs/dbraw/zinc/34/99/12/532349912.db2.gz MIEYAERBUXNICG-UHFFFAOYSA-N 1 2 375.235 2.367 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)NCCc1ccc(I)s1 ZINC000188865375 532349913 /nfs/dbraw/zinc/34/99/13/532349913.db2.gz MIEYAERBUXNICG-UHFFFAOYSA-N 1 2 375.235 2.367 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1ccc(Br)c(Cl)c1 ZINC000189098914 532350892 /nfs/dbraw/zinc/35/08/92/532350892.db2.gz HNGOWXKXDSVIFI-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1ccc(Br)c(Cl)c1 ZINC000189098914 532350893 /nfs/dbraw/zinc/35/08/93/532350893.db2.gz HNGOWXKXDSVIFI-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO C[C@@H]1C(=O)NCCCN1C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000189238098 532351548 /nfs/dbraw/zinc/35/15/48/532351548.db2.gz KSPOPJCXQPADPV-CZUORRHYSA-N 1 2 394.313 2.323 20 0 GEADLO O=S(=O)(NCC(F)(F)F)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000189698277 532353340 /nfs/dbraw/zinc/35/33/40/532353340.db2.gz LFXNIQPEYHPVTQ-UHFFFAOYSA-N 1 2 385.839 2.291 20 0 GEADLO CCc1nnc(C2CC[NH+](CC(=O)Nc3ccc(Br)cn3)CC2)[nH]1 ZINC000190657178 532357421 /nfs/dbraw/zinc/35/74/21/532357421.db2.gz BAVDEAIAJSKWRD-UHFFFAOYSA-N 1 2 393.289 2.343 20 0 GEADLO CCc1n[nH]c(C2CC[NH+](CC(=O)Nc3ccc(Br)cn3)CC2)n1 ZINC000190657178 532357422 /nfs/dbraw/zinc/35/74/22/532357422.db2.gz BAVDEAIAJSKWRD-UHFFFAOYSA-N 1 2 393.289 2.343 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190872795 532358421 /nfs/dbraw/zinc/35/84/21/532358421.db2.gz KCOQCONNHVTPBV-ZJUUUORDSA-N 1 2 375.252 2.279 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190872795 532358422 /nfs/dbraw/zinc/35/84/22/532358422.db2.gz KCOQCONNHVTPBV-ZJUUUORDSA-N 1 2 375.252 2.279 20 0 GEADLO COC(=O)CCCCCS(=O)(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000190887662 532358563 /nfs/dbraw/zinc/35/85/63/532358563.db2.gz ZENZHBAXAHRPCP-OAHLLOKOSA-N 1 2 388.555 2.490 20 0 GEADLO COc1cc[nH+]c(Cn2nc(Br)nc2Br)c1OC ZINC000191165113 532359783 /nfs/dbraw/zinc/35/97/83/532359783.db2.gz AKERSFLZJROBED-UHFFFAOYSA-N 1 2 378.024 2.264 20 0 GEADLO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000191910986 532373431 /nfs/dbraw/zinc/37/34/31/532373431.db2.gz GMQGBSUUOMMYMM-UHFFFAOYSA-N 1 2 383.221 2.238 20 0 GEADLO COc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)c(I)c1 ZINC000590551979 532376411 /nfs/dbraw/zinc/37/64/11/532376411.db2.gz BETUXOZJAFAGBD-UHFFFAOYSA-N 1 2 383.189 2.221 20 0 GEADLO COc1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)c(I)c1 ZINC000590551979 532376416 /nfs/dbraw/zinc/37/64/16/532376416.db2.gz BETUXOZJAFAGBD-UHFFFAOYSA-N 1 2 383.189 2.221 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000294717043 532376978 /nfs/dbraw/zinc/37/69/78/532376978.db2.gz WIDZVBJTBRTJNM-UHFFFAOYSA-N 1 2 398.282 2.303 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1(c2ccccc2Br)CC1 ZINC000191557113 532361425 /nfs/dbraw/zinc/36/14/25/532361425.db2.gz GKQUDPUMZXAXNH-CQSZACIVSA-N 1 2 380.330 2.233 20 0 GEADLO CN1CC[N@H+](C)C[C@@H]1c1noc([C@@H]2COc3ccc(Br)cc32)n1 ZINC000371915308 532361879 /nfs/dbraw/zinc/36/18/79/532361879.db2.gz MBVSHRYCMFYCPN-CHWSQXEVSA-N 1 2 379.258 2.275 20 0 GEADLO CN1CC[N@@H+](C)C[C@@H]1c1noc([C@@H]2COc3ccc(Br)cc32)n1 ZINC000371915308 532361883 /nfs/dbraw/zinc/36/18/83/532361883.db2.gz MBVSHRYCMFYCPN-CHWSQXEVSA-N 1 2 379.258 2.275 20 0 GEADLO O=C(Cc1noc(-c2cc(Cl)cc(Cl)c2)n1)NCC[NH+]1CCOCC1 ZINC000277884070 532366243 /nfs/dbraw/zinc/36/62/43/532366243.db2.gz NSBUYZJIZFFGAQ-UHFFFAOYSA-N 1 2 385.251 2.034 20 0 GEADLO CCOC(=O)C1(O)CC[NH+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000463109770 532367293 /nfs/dbraw/zinc/36/72/93/532367293.db2.gz XMMZNSLLZKOURX-UHFFFAOYSA-N 1 2 383.242 2.480 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(O)ccc3Br)C2)nn1 ZINC000372035093 532368460 /nfs/dbraw/zinc/36/84/60/532368460.db2.gz AYPCIVNDHRFLFJ-GFCCVEGCSA-N 1 2 395.257 2.370 20 0 GEADLO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000463218033 532369074 /nfs/dbraw/zinc/36/90/74/532369074.db2.gz INJMERLTCOVYHV-CYBMUJFWSA-N 1 2 376.831 2.127 20 0 GEADLO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000463218033 532369078 /nfs/dbraw/zinc/36/90/78/532369078.db2.gz INJMERLTCOVYHV-CYBMUJFWSA-N 1 2 376.831 2.127 20 0 GEADLO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000294584599 532369524 /nfs/dbraw/zinc/36/95/24/532369524.db2.gz TYUNZHRNABUCDD-UHFFFAOYSA-N 1 2 388.281 2.051 20 0 GEADLO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1Cl ZINC000463232312 532369621 /nfs/dbraw/zinc/36/96/21/532369621.db2.gz DFAZEYRJAWBEEL-JTQLQIEISA-N 1 2 378.803 2.245 20 0 GEADLO COc1cc(OC)c(NC(=O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1Cl ZINC000463232312 532369626 /nfs/dbraw/zinc/36/96/26/532369626.db2.gz DFAZEYRJAWBEEL-JTQLQIEISA-N 1 2 378.803 2.245 20 0 GEADLO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647161852 532370700 /nfs/dbraw/zinc/37/07/00/532370700.db2.gz LKSXABHQZCXTNE-GFCCVEGCSA-N 1 2 386.253 3.032 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2OC)CC1 ZINC000425200516 532371340 /nfs/dbraw/zinc/37/13/40/532371340.db2.gz ICPFZWDNOPLCOE-UHFFFAOYSA-N 1 2 390.933 2.221 20 0 GEADLO COCC1(CC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC1 ZINC000648413566 532395270 /nfs/dbraw/zinc/39/52/70/532395270.db2.gz PAFXQAXUZYQIRV-UHFFFAOYSA-N 1 2 384.274 2.436 20 0 GEADLO CC[S@](=O)CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000425289351 532380294 /nfs/dbraw/zinc/38/02/94/532380294.db2.gz CZOXOAHUSUZSHZ-QHCPKHFHSA-N 1 2 398.326 2.443 20 0 GEADLO COCC[C@H](C)S(=O)(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000463692771 532380601 /nfs/dbraw/zinc/38/06/01/532380601.db2.gz HESMRHBCRQWHPF-HNNXBMFYSA-N 1 2 390.933 2.091 20 0 GEADLO C[N@H+](CC(=O)NC(C)(C)C)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192060541 532383056 /nfs/dbraw/zinc/38/30/56/532383056.db2.gz QWRUHZLNDGLTDU-AWEZNQCLSA-N 1 2 382.302 2.401 20 0 GEADLO C[N@@H+](CC(=O)NC(C)(C)C)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192060541 532383062 /nfs/dbraw/zinc/38/30/62/532383062.db2.gz QWRUHZLNDGLTDU-AWEZNQCLSA-N 1 2 382.302 2.401 20 0 GEADLO COc1ccccc1N1CC[C@H]([NH2+]Cc2c(Br)cnn2C)C1=O ZINC000278513104 532383732 /nfs/dbraw/zinc/38/37/32/532383732.db2.gz PAPBSJOOPNPHPY-LBPRGKRZSA-N 1 2 379.258 2.086 20 0 GEADLO CC(C)OCCOC[C@H](O)C[N@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000558098056 532385438 /nfs/dbraw/zinc/38/54/38/532385438.db2.gz MHYHUKBLVBMGJC-TZMCWYRMSA-N 1 2 376.295 2.034 20 0 GEADLO CC(C)OCCOC[C@H](O)C[N@@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000558098056 532385442 /nfs/dbraw/zinc/38/54/42/532385442.db2.gz MHYHUKBLVBMGJC-TZMCWYRMSA-N 1 2 376.295 2.034 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)SCc2csc(-c3ncccn3)n2)CC1 ZINC000558085622 532385921 /nfs/dbraw/zinc/38/59/21/532385921.db2.gz WPEXOWVLUXFLBK-CYBMUJFWSA-N 1 2 377.539 2.386 20 0 GEADLO Cn1nc(Br)cc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000192089862 532386350 /nfs/dbraw/zinc/38/63/50/532386350.db2.gz UIWOZPXQLVMALS-UHFFFAOYSA-N 1 2 378.205 2.437 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C(N)=O)c1cccc(Br)c1 ZINC000372358438 532386932 /nfs/dbraw/zinc/38/69/32/532386932.db2.gz IRJBEHFAPCDARG-IKGGRYGDSA-N 1 2 394.313 2.451 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C(N)=O)c1cccc(Br)c1 ZINC000372358438 532386936 /nfs/dbraw/zinc/38/69/36/532386936.db2.gz IRJBEHFAPCDARG-IKGGRYGDSA-N 1 2 394.313 2.451 20 0 GEADLO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590795615 532387478 /nfs/dbraw/zinc/38/74/78/532387478.db2.gz OTCKNZWJSCKJKB-GFCCVEGCSA-N 1 2 383.857 2.334 20 0 GEADLO O=C(C[N@@H+]1CCc2cccc(Br)c2C1)N1CCOC[C@H]1C1CC1 ZINC000677985005 532389527 /nfs/dbraw/zinc/38/95/27/532389527.db2.gz PUBCTKVLEKRJPM-KRWDZBQOSA-N 1 2 379.298 2.445 20 0 GEADLO O=C(C[N@H+]1CCc2cccc(Br)c2C1)N1CCOC[C@H]1C1CC1 ZINC000677985005 532389530 /nfs/dbraw/zinc/38/95/30/532389530.db2.gz PUBCTKVLEKRJPM-KRWDZBQOSA-N 1 2 379.298 2.445 20 0 GEADLO O=C(C[N@@H+]1CCc2cccc(Br)c2C1)N1CCOC[C@@H]1C1CC1 ZINC000677985006 532389708 /nfs/dbraw/zinc/38/97/08/532389708.db2.gz PUBCTKVLEKRJPM-QGZVFWFLSA-N 1 2 379.298 2.445 20 0 GEADLO O=C(C[N@H+]1CCc2cccc(Br)c2C1)N1CCOC[C@@H]1C1CC1 ZINC000677985006 532389711 /nfs/dbraw/zinc/38/97/11/532389711.db2.gz PUBCTKVLEKRJPM-QGZVFWFLSA-N 1 2 379.298 2.445 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc3c(Br)cccc3cn2)CCO1 ZINC000648236639 532389862 /nfs/dbraw/zinc/38/98/62/532389862.db2.gz XNVBPOIWBUXOIC-LBPRGKRZSA-N 1 2 378.270 2.448 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc3c(Br)cccc3cn2)CCO1 ZINC000648236639 532389866 /nfs/dbraw/zinc/38/98/66/532389866.db2.gz XNVBPOIWBUXOIC-LBPRGKRZSA-N 1 2 378.270 2.448 20 0 GEADLO Cn1nc2cc(Br)ccc2c1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000648420043 532394848 /nfs/dbraw/zinc/39/48/48/532394848.db2.gz AVPVUDLQGZEJPO-UHFFFAOYSA-N 1 2 395.301 2.176 20 0 GEADLO C[N@H+](CCc1cccc(Br)c1)Cc1nnnn1C1CCOCC1 ZINC000558659617 532395089 /nfs/dbraw/zinc/39/50/89/532395089.db2.gz XLRBEICKFBRFAM-UHFFFAOYSA-N 1 2 380.290 2.462 20 0 GEADLO C[N@@H+](CCc1cccc(Br)c1)Cc1nnnn1C1CCOCC1 ZINC000558659617 532395095 /nfs/dbraw/zinc/39/50/95/532395095.db2.gz XLRBEICKFBRFAM-UHFFFAOYSA-N 1 2 380.290 2.462 20 0 GEADLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000591019999 532396318 /nfs/dbraw/zinc/39/63/18/532396318.db2.gz XSOYOYSTXKVDHC-AWEZNQCLSA-N 1 2 387.274 2.288 20 0 GEADLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCC(=O)Nc1ccccc1Br ZINC000591019999 532396320 /nfs/dbraw/zinc/39/63/20/532396320.db2.gz XSOYOYSTXKVDHC-AWEZNQCLSA-N 1 2 387.274 2.288 20 0 GEADLO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000678627262 532399908 /nfs/dbraw/zinc/39/99/08/532399908.db2.gz CLWZTRXORIRLJC-CABCVRRESA-N 1 2 375.296 2.140 20 0 GEADLO CC(C)CCN(CCC(C)C)S(=O)(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000678618754 532400074 /nfs/dbraw/zinc/40/00/74/532400074.db2.gz BUPXCAZNOTVFDZ-GOSISDBHSA-N 1 2 375.579 2.032 20 0 GEADLO COc1ncc(Br)cc1CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000624632207 532401134 /nfs/dbraw/zinc/40/11/34/532401134.db2.gz LOHIIEYVXZZMOJ-NSHDSACASA-N 1 2 394.273 2.285 20 0 GEADLO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000678627263 532399136 /nfs/dbraw/zinc/39/91/36/532399136.db2.gz CLWZTRXORIRLJC-GJZGRUSLSA-N 1 2 375.296 2.140 20 0 GEADLO Cc1sc2ncnc(SCC(=O)NCC[N@H+]3CCOC[C@@H]3C)c2c1C ZINC000591228262 532402899 /nfs/dbraw/zinc/40/28/99/532402899.db2.gz VUSZYGAKHRCFMD-NSHDSACASA-N 1 2 380.539 2.237 20 0 GEADLO Cc1sc2ncnc(SCC(=O)NCC[N@@H+]3CCOC[C@@H]3C)c2c1C ZINC000591228262 532402903 /nfs/dbraw/zinc/40/29/03/532402903.db2.gz VUSZYGAKHRCFMD-NSHDSACASA-N 1 2 380.539 2.237 20 0 GEADLO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N(CCO)CC[NH+]1CCOCC1 ZINC000426077213 532401512 /nfs/dbraw/zinc/40/15/12/532401512.db2.gz DBEMWDRKDRMFAN-CQSZACIVSA-N 1 2 387.933 2.115 20 0 GEADLO CCCc1cnc(NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000426051009 532401728 /nfs/dbraw/zinc/40/17/28/532401728.db2.gz RNIJRLIIHXMAHK-UHFFFAOYSA-N 1 2 378.523 2.440 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000295128746 532405950 /nfs/dbraw/zinc/40/59/50/532405950.db2.gz BZYZVBQGNLAMCZ-GHMZBOCLSA-N 1 2 395.257 2.332 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000295128746 532405954 /nfs/dbraw/zinc/40/59/54/532405954.db2.gz BZYZVBQGNLAMCZ-GHMZBOCLSA-N 1 2 395.257 2.332 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2OC)C[C@H]1C ZINC000679469835 532405645 /nfs/dbraw/zinc/40/56/45/532405645.db2.gz IKZVISPBOVDJSW-SNVBAGLBSA-N 1 2 395.294 2.312 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2OC)C[C@H]1C ZINC000679469835 532405650 /nfs/dbraw/zinc/40/56/50/532405650.db2.gz IKZVISPBOVDJSW-SNVBAGLBSA-N 1 2 395.294 2.312 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2OC)C[C@@H]1C ZINC000679469834 532405666 /nfs/dbraw/zinc/40/56/66/532405666.db2.gz IKZVISPBOVDJSW-JTQLQIEISA-N 1 2 395.294 2.312 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2OC)C[C@@H]1C ZINC000679469834 532405673 /nfs/dbraw/zinc/40/56/73/532405673.db2.gz IKZVISPBOVDJSW-JTQLQIEISA-N 1 2 395.294 2.312 20 0 GEADLO CCSCC[C@@H](C)[N@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000464861307 532405859 /nfs/dbraw/zinc/40/58/59/532405859.db2.gz SYWIIEOHCGZIEO-NVXWUHKLSA-N 1 2 390.615 2.408 20 0 GEADLO CCSCC[C@@H](C)[N@@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000464861307 532405865 /nfs/dbraw/zinc/40/58/65/532405865.db2.gz SYWIIEOHCGZIEO-NVXWUHKLSA-N 1 2 390.615 2.408 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372740107 532406854 /nfs/dbraw/zinc/40/68/54/532406854.db2.gz KBQYFWJHENQUAX-GFCCVEGCSA-N 1 2 391.269 2.271 20 0 GEADLO CC(C)N1CCC[C@@H]([N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)C1=O ZINC000192720423 532407383 /nfs/dbraw/zinc/40/73/83/532407383.db2.gz CQCBHXMPVTXJCZ-CABCVRRESA-N 1 2 382.302 2.307 20 0 GEADLO CC(C)N1CCC[C@@H]([N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)C1=O ZINC000192720423 532407386 /nfs/dbraw/zinc/40/73/86/532407386.db2.gz CQCBHXMPVTXJCZ-CABCVRRESA-N 1 2 382.302 2.307 20 0 GEADLO C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[NH2+][C@H](c3ccccc3Cl)C1)CS2 ZINC000648894346 532407799 /nfs/dbraw/zinc/40/77/99/532407799.db2.gz YBQNJFPULIHDCS-MPGHIAIKSA-N 1 2 379.913 2.267 20 0 GEADLO O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000280062459 532407893 /nfs/dbraw/zinc/40/78/93/532407893.db2.gz PRTADKJRPNSCJG-CQSZACIVSA-N 1 2 385.917 2.314 20 0 GEADLO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000280062459 532407903 /nfs/dbraw/zinc/40/79/03/532407903.db2.gz PRTADKJRPNSCJG-CQSZACIVSA-N 1 2 385.917 2.314 20 0 GEADLO CCCc1ccc(Cl)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000560036884 532410211 /nfs/dbraw/zinc/41/02/11/532410211.db2.gz OBBFTAIGCQYGIP-OAHLLOKOSA-N 1 2 387.977 2.454 20 0 GEADLO C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[NH2+][C@H](c3ccccc3Cl)C1)CS2 ZINC000648894345 532408772 /nfs/dbraw/zinc/40/87/72/532408772.db2.gz YBQNJFPULIHDCS-DAYGRLMNSA-N 1 2 379.913 2.267 20 0 GEADLO Cc1cccc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1Br ZINC000427046062 532409157 /nfs/dbraw/zinc/40/91/57/532409157.db2.gz OAESNQZALKVMMV-LLVKDONJSA-N 1 2 377.242 2.024 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1c(F)cccc1Cl ZINC000372808362 532411891 /nfs/dbraw/zinc/41/18/91/532411891.db2.gz XOWLZOFBMNFCSI-DOMZBBRYSA-N 1 2 376.881 2.258 20 0 GEADLO CC1(C)C[C@@H](S(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CO1 ZINC000625153196 532414514 /nfs/dbraw/zinc/41/45/14/532414514.db2.gz PVDXWXJANIPCLV-DLBZAZTESA-N 1 2 384.567 2.091 20 0 GEADLO CC1(C)C[C@@H](S(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CO1 ZINC000625153196 532414521 /nfs/dbraw/zinc/41/45/21/532414521.db2.gz PVDXWXJANIPCLV-DLBZAZTESA-N 1 2 384.567 2.091 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccccc1Br)[C@H]1CCc2[nH+]ccn2C1 ZINC000372874026 532415323 /nfs/dbraw/zinc/41/53/23/532415323.db2.gz VJLQKOQZKWYMON-ZFWWWQNUSA-N 1 2 392.297 2.175 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccccc1Br)[C@H]1CCn2cc[nH+]c2C1 ZINC000372873641 532415491 /nfs/dbraw/zinc/41/54/91/532415491.db2.gz QFYKYAILFVXRCF-HIFRSBDPSA-N 1 2 392.297 2.175 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000560115416 532415815 /nfs/dbraw/zinc/41/58/15/532415815.db2.gz SFTVXBYUJQSXST-LRDDRELGSA-N 1 2 397.317 2.315 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000560115416 532415823 /nfs/dbraw/zinc/41/58/23/532415823.db2.gz SFTVXBYUJQSXST-LRDDRELGSA-N 1 2 397.317 2.315 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N(C)C[C@H](O)C3CC3)[nH+]c12 ZINC000680614739 532418995 /nfs/dbraw/zinc/41/89/95/532418995.db2.gz WFQMUQMKSMXKNG-AWEZNQCLSA-N 1 2 381.274 2.318 20 0 GEADLO CN1CCC[C@]2(CC[N@@H+]([C@@H](C(N)=O)c3ccc(Br)cc3F)C2)C1=O ZINC000372900391 532419045 /nfs/dbraw/zinc/41/90/45/532419045.db2.gz BZWQFZZTDCYKCT-RHSMWYFYSA-N 1 2 398.276 2.059 20 0 GEADLO CN1CCC[C@]2(CC[N@H+]([C@@H](C(N)=O)c3ccc(Br)cc3F)C2)C1=O ZINC000372900391 532419053 /nfs/dbraw/zinc/41/90/53/532419053.db2.gz BZWQFZZTDCYKCT-RHSMWYFYSA-N 1 2 398.276 2.059 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)C[C@@H]1C ZINC000680626012 532419515 /nfs/dbraw/zinc/41/95/15/532419515.db2.gz QJVQXPBPJKQGPG-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)C[C@@H]1C ZINC000680626012 532419517 /nfs/dbraw/zinc/41/95/17/532419517.db2.gz QJVQXPBPJKQGPG-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000372934378 532420574 /nfs/dbraw/zinc/42/05/74/532420574.db2.gz LWTGKJYVZZBPAY-LSDHHAIUSA-N 1 2 392.297 2.175 20 0 GEADLO CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)CCOC)c1ccccc1Cl ZINC000517638003 532422664 /nfs/dbraw/zinc/42/26/64/532422664.db2.gz XXZFNKKGCPIGMU-MRXNPFEDSA-N 1 2 377.938 2.136 20 0 GEADLO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000649696746 532422693 /nfs/dbraw/zinc/42/26/93/532422693.db2.gz NUMHYNYOBLILFZ-UHFFFAOYSA-N 1 2 380.341 2.397 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1ccccc1Br ZINC000281235187 532422814 /nfs/dbraw/zinc/42/28/14/532422814.db2.gz LIDPXKSTDVEHJO-AWEZNQCLSA-N 1 2 382.346 2.479 20 0 GEADLO CC1(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC[NH2+]CC1 ZINC000193393005 532424578 /nfs/dbraw/zinc/42/45/78/532424578.db2.gz VBHRWRLUHFXNCG-UHFFFAOYSA-N 1 2 379.507 2.421 20 0 GEADLO O=C1NC[C@]2(CCC[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)O1 ZINC000373028136 532426302 /nfs/dbraw/zinc/42/63/02/532426302.db2.gz KXDLKNADNUNTNQ-PBHICJAKSA-N 1 2 394.269 2.129 20 0 GEADLO O=C1NC[C@]2(CCC[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)O1 ZINC000373028136 532426304 /nfs/dbraw/zinc/42/63/04/532426304.db2.gz KXDLKNADNUNTNQ-PBHICJAKSA-N 1 2 394.269 2.129 20 0 GEADLO O=C(c1ccoc1Br)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000373103901 532431503 /nfs/dbraw/zinc/43/15/03/532431503.db2.gz KERCUSKZAZBKDS-UHFFFAOYSA-N 1 2 396.285 2.397 20 0 GEADLO CC(C)Cc1ncnc(NCc2ccc(N)[nH+]c2)c1I ZINC000561341280 532435370 /nfs/dbraw/zinc/43/53/70/532435370.db2.gz UTQLYVLRPYBYAA-UHFFFAOYSA-N 1 2 383.237 2.291 20 0 GEADLO O=S1(=O)CC[C@]2(C1)CCCN(Cc1cn3cc(Br)ccc3[nH+]1)C2 ZINC000650098897 532435831 /nfs/dbraw/zinc/43/58/31/532435831.db2.gz CQIPLOMKHNFRKY-MRXNPFEDSA-N 1 2 398.326 2.498 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000626166370 532435929 /nfs/dbraw/zinc/43/59/29/532435929.db2.gz UFPXIDWUCZGFAF-SNVBAGLBSA-N 1 2 397.285 2.489 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000626166370 532435935 /nfs/dbraw/zinc/43/59/35/532435935.db2.gz UFPXIDWUCZGFAF-SNVBAGLBSA-N 1 2 397.285 2.489 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295330437 532435996 /nfs/dbraw/zinc/43/59/96/532435996.db2.gz HITYKRWCFLPZAE-RYUDHWBXSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295330437 532436000 /nfs/dbraw/zinc/43/60/00/532436000.db2.gz HITYKRWCFLPZAE-RYUDHWBXSA-N 1 2 376.266 2.359 20 0 GEADLO Cc1sc(Br)cc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000681691164 532436479 /nfs/dbraw/zinc/43/64/79/532436479.db2.gz GYRSYCBBFORINQ-VIFPVBQESA-N 1 2 376.301 2.309 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCCCN1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000650061430 532433137 /nfs/dbraw/zinc/43/31/37/532433137.db2.gz KMYZANHHSUIIKJ-AWEZNQCLSA-N 1 2 386.315 2.496 20 0 GEADLO Cn1ccnc(N2CC[NH+](CCOc3cc(Cl)ccc3Cl)CC2)c1=O ZINC000466733542 532433993 /nfs/dbraw/zinc/43/39/93/532433993.db2.gz CIHXCNWGIYFNOM-UHFFFAOYSA-N 1 2 383.279 2.288 20 0 GEADLO O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000518026664 532434388 /nfs/dbraw/zinc/43/43/88/532434388.db2.gz MIMSPJQINKKRAS-CYBMUJFWSA-N 1 2 381.267 2.107 20 0 GEADLO O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000518026664 532434396 /nfs/dbraw/zinc/43/43/96/532434396.db2.gz MIMSPJQINKKRAS-CYBMUJFWSA-N 1 2 381.267 2.107 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1Cl ZINC000193983490 532441195 /nfs/dbraw/zinc/44/11/95/532441195.db2.gz OBDYULJBILIBKN-WDEREUQCSA-N 1 2 397.324 2.078 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1Cl ZINC000193983490 532441197 /nfs/dbraw/zinc/44/11/97/532441197.db2.gz OBDYULJBILIBKN-WDEREUQCSA-N 1 2 397.324 2.078 20 0 GEADLO O=S(=O)(NCC[NH+]1CCC(O)CC1)c1c(Cl)cc(Cl)cc1Cl ZINC000295364803 532438453 /nfs/dbraw/zinc/43/84/53/532438453.db2.gz PGOAMKWCFRWEIQ-UHFFFAOYSA-N 1 2 387.716 2.382 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)N1CCC(n2cc(Br)cn2)CC1 ZINC000518335179 532438904 /nfs/dbraw/zinc/43/89/04/532438904.db2.gz TUGJEKOOGZUEEJ-UHFFFAOYSA-N 1 2 381.278 2.279 20 0 GEADLO Cn1nc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2cc(Cl)ccc2Cl)nc1N ZINC000295426404 532446045 /nfs/dbraw/zinc/44/60/45/532446045.db2.gz UOSSYRLSWQRCKX-DGCLKSJQSA-N 1 2 386.283 2.281 20 0 GEADLO Cn1nc([C@H]2CCC[N@H+]2C[C@@H](O)COc2cc(Cl)ccc2Cl)nc1N ZINC000295426404 532446052 /nfs/dbraw/zinc/44/60/52/532446052.db2.gz UOSSYRLSWQRCKX-DGCLKSJQSA-N 1 2 386.283 2.281 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000518972940 532450918 /nfs/dbraw/zinc/45/09/18/532450918.db2.gz UAHLFNVGHKXVBN-AWEZNQCLSA-N 1 2 389.327 2.307 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000518972940 532450927 /nfs/dbraw/zinc/45/09/27/532450927.db2.gz UAHLFNVGHKXVBN-AWEZNQCLSA-N 1 2 389.327 2.307 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CCCc2cc(F)cc(Cl)c21 ZINC000519116052 532456820 /nfs/dbraw/zinc/45/68/20/532456820.db2.gz LWNFZPDSFYOIDO-UHFFFAOYSA-N 1 2 376.881 2.284 20 0 GEADLO COCCc1nc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)no1 ZINC000562033727 532456879 /nfs/dbraw/zinc/45/68/79/532456879.db2.gz BUWJETPQVXHOGP-UHFFFAOYSA-N 1 2 395.301 2.339 20 0 GEADLO CN(C)C(=O)C[NH+]1CCN(Cc2cc(Br)c(Cl)s2)CC1 ZINC000682993711 532452853 /nfs/dbraw/zinc/45/28/53/532452853.db2.gz FJDUKYDTKIYSTI-UHFFFAOYSA-N 1 2 380.739 2.370 20 0 GEADLO COc1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cc(I)c1OC ZINC000373519063 532455883 /nfs/dbraw/zinc/45/58/83/532455883.db2.gz ZJDGAUCEEJEHER-CYBMUJFWSA-N 1 2 389.233 2.265 20 0 GEADLO COc1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)cc(I)c1OC ZINC000373519063 532455890 /nfs/dbraw/zinc/45/58/90/532455890.db2.gz ZJDGAUCEEJEHER-CYBMUJFWSA-N 1 2 389.233 2.265 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](CC)c2ccc(Cl)s2)CC1 ZINC000562125548 532458263 /nfs/dbraw/zinc/45/82/63/532458263.db2.gz WRAUEDXYAUFYFA-CYBMUJFWSA-N 1 2 387.933 2.150 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428666611 532458400 /nfs/dbraw/zinc/45/84/00/532458400.db2.gz IKVTYLDBWQGTGO-HNNXBMFYSA-N 1 2 395.301 2.186 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000683642443 532464431 /nfs/dbraw/zinc/46/44/31/532464431.db2.gz OIBNSGIYQSZZSV-OAHLLOKOSA-N 1 2 391.269 2.348 20 0 GEADLO C[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ncc(Br)cn1 ZINC000562407832 532464660 /nfs/dbraw/zinc/46/46/60/532464660.db2.gz HNPVLHVMNZTMOZ-GHMZBOCLSA-N 1 2 379.262 2.233 20 0 GEADLO CNS(=O)(=O)CCC[N@@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428925019 532465046 /nfs/dbraw/zinc/46/50/46/532465046.db2.gz RANBJEDTCSUWPR-IUODEOHRSA-N 1 2 380.432 2.407 20 0 GEADLO CNS(=O)(=O)CCC[N@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428925019 532465049 /nfs/dbraw/zinc/46/50/49/532465049.db2.gz RANBJEDTCSUWPR-IUODEOHRSA-N 1 2 380.432 2.407 20 0 GEADLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ncc(Br)cn1 ZINC000562407834 532465232 /nfs/dbraw/zinc/46/52/32/532465232.db2.gz HNPVLHVMNZTMOZ-QWRGUYRKSA-N 1 2 379.262 2.233 20 0 GEADLO Cc1cccc2[nH+]c(CNC(=O)NCc3ccc(S(C)(=O)=O)s3)cn21 ZINC000468327152 532462770 /nfs/dbraw/zinc/46/27/70/532462770.db2.gz PPXULKVKOTXKFY-UHFFFAOYSA-N 1 2 378.479 2.107 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000373777507 532468267 /nfs/dbraw/zinc/46/82/67/532468267.db2.gz MLQCVBWYMZXFGY-UHFFFAOYSA-N 1 2 386.880 2.109 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000373777507 532468275 /nfs/dbraw/zinc/46/82/75/532468275.db2.gz MLQCVBWYMZXFGY-UHFFFAOYSA-N 1 2 386.880 2.109 20 0 GEADLO O=C(CCn1cc[nH+]c1)NCCOc1ccc(I)cc1 ZINC000282464190 532469775 /nfs/dbraw/zinc/46/97/75/532469775.db2.gz ORXYMYYWOFBQBO-UHFFFAOYSA-N 1 2 385.205 2.073 20 0 GEADLO C[C@@](C[NH3+])(NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C1CC1 ZINC000429232387 532471584 /nfs/dbraw/zinc/47/15/84/532471584.db2.gz KCKSJNKMRHMCCZ-KRWDZBQOSA-N 1 2 379.507 2.406 20 0 GEADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(F)ccc2Br)n1C ZINC000282501252 532471937 /nfs/dbraw/zinc/47/19/37/532471937.db2.gz OXCPETCRNCMNNP-UHFFFAOYSA-N 1 2 398.280 2.152 20 0 GEADLO Cc1c(C(=O)NC[C@H]2COCC[N@H+]2C)cnn1-c1cccc(Br)c1 ZINC000628918206 532476566 /nfs/dbraw/zinc/47/65/66/532476566.db2.gz CBAGHTPBEBQHGN-HNNXBMFYSA-N 1 2 393.285 2.004 20 0 GEADLO Cc1c(C(=O)NC[C@H]2COCC[N@@H+]2C)cnn1-c1cccc(Br)c1 ZINC000628918206 532476571 /nfs/dbraw/zinc/47/65/71/532476571.db2.gz CBAGHTPBEBQHGN-HNNXBMFYSA-N 1 2 393.285 2.004 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000628916935 532476637 /nfs/dbraw/zinc/47/66/37/532476637.db2.gz GPWMNSXEONNRMW-LBPRGKRZSA-N 1 2 398.326 2.438 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000628916935 532476642 /nfs/dbraw/zinc/47/66/42/532476642.db2.gz GPWMNSXEONNRMW-LBPRGKRZSA-N 1 2 398.326 2.438 20 0 GEADLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)CC1 ZINC000651570959 532477968 /nfs/dbraw/zinc/47/79/68/532477968.db2.gz UOHQMSBIJCYDFX-UHFFFAOYSA-N 1 2 387.354 2.273 20 0 GEADLO C[C@@H](CNS(=O)(=O)Cc1cc(Cl)sc1Cl)C[NH+]1CCOCC1 ZINC000651567742 532478518 /nfs/dbraw/zinc/47/85/18/532478518.db2.gz RZPQQQPGUOQDPB-JTQLQIEISA-N 1 2 387.354 2.443 20 0 GEADLO Cc1cc(NC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)cc[nH+]1 ZINC000373930501 532479001 /nfs/dbraw/zinc/47/90/01/532479001.db2.gz SNBHJWIKTFKOKS-OAHLLOKOSA-N 1 2 389.253 2.279 20 0 GEADLO CN(C)c1ncc(Br)cc1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000468954739 532482128 /nfs/dbraw/zinc/48/21/28/532482128.db2.gz ORYXWYSQLVZVQJ-UHFFFAOYSA-N 1 2 399.333 2.093 20 0 GEADLO CN(C)c1ncc(Br)cc1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000468954739 532482136 /nfs/dbraw/zinc/48/21/36/532482136.db2.gz ORYXWYSQLVZVQJ-UHFFFAOYSA-N 1 2 399.333 2.093 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@@H]1CCC[C@H]1CCO ZINC000429759267 532482305 /nfs/dbraw/zinc/48/23/05/532482305.db2.gz PGICHANOEOHJIK-SMDDNHRTSA-N 1 2 381.274 2.447 20 0 GEADLO CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000562801083 532483218 /nfs/dbraw/zinc/48/32/18/532483218.db2.gz DDHJFPCHGCFRTR-HOCLYGCPSA-N 1 2 383.286 2.327 20 0 GEADLO CCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000562801083 532483222 /nfs/dbraw/zinc/48/32/22/532483222.db2.gz DDHJFPCHGCFRTR-HOCLYGCPSA-N 1 2 383.286 2.327 20 0 GEADLO C[C@@H](NC(=O)NCc1ccsc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000282649765 532484752 /nfs/dbraw/zinc/48/47/52/532484752.db2.gz FNQDIQSDCSDJSP-MNOVXSKESA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000468988508 532485173 /nfs/dbraw/zinc/48/51/73/532485173.db2.gz PXHSCJVIAHIVRX-UONOGXRCSA-N 1 2 385.302 2.396 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1C[N@H+](C)CCO1 ZINC000684913642 532487168 /nfs/dbraw/zinc/48/71/68/532487168.db2.gz MWFMRPMDESWYEZ-CABZTGNLSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1C[N@@H+](C)CCO1 ZINC000684913642 532487177 /nfs/dbraw/zinc/48/71/77/532487177.db2.gz MWFMRPMDESWYEZ-CABZTGNLSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@@H]1CC[C@H](CNC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)O1 ZINC000562926200 532487905 /nfs/dbraw/zinc/48/79/05/532487905.db2.gz WGXDKEWRDSVXGX-VXGBXAGGSA-N 1 2 399.289 2.370 20 0 GEADLO C[C@@H]1CC[C@@H](CNC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)O1 ZINC000562926197 532488079 /nfs/dbraw/zinc/48/80/79/532488079.db2.gz WGXDKEWRDSVXGX-NEPJUHHUSA-N 1 2 399.289 2.370 20 0 GEADLO Cc1cc(Br)oc1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629440709 532491273 /nfs/dbraw/zinc/49/12/73/532491273.db2.gz PJUMWKCXWAWZHN-CQSZACIVSA-N 1 2 394.269 2.376 20 0 GEADLO Cc1cc(Br)oc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629440709 532491281 /nfs/dbraw/zinc/49/12/81/532491281.db2.gz PJUMWKCXWAWZHN-CQSZACIVSA-N 1 2 394.269 2.376 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(Cl)c(F)c1)C(C)(C)CO ZINC000651725114 532491320 /nfs/dbraw/zinc/49/13/20/532491320.db2.gz SZJJGPUQIYSRKM-CYBMUJFWSA-N 1 2 375.853 2.251 20 0 GEADLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)Nc1ccc(I)cc1 ZINC000430276886 532493739 /nfs/dbraw/zinc/49/37/39/532493739.db2.gz NAOBHWZPFYTNIN-KGLIPLIRSA-N 1 2 386.233 2.483 20 0 GEADLO O=C(C[N@H+]1CCO[C@H]2CCC[C@H]21)Nc1ccc(I)cc1 ZINC000430276886 532493745 /nfs/dbraw/zinc/49/37/45/532493745.db2.gz NAOBHWZPFYTNIN-KGLIPLIRSA-N 1 2 386.233 2.483 20 0 GEADLO CS(=O)(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000374224605 532494192 /nfs/dbraw/zinc/49/41/92/532494192.db2.gz WAJPPQHWABUXMI-ZDUSSCGKSA-N 1 2 379.263 2.473 20 0 GEADLO CS(=O)(=O)CC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000374224605 532494199 /nfs/dbraw/zinc/49/41/99/532494199.db2.gz WAJPPQHWABUXMI-ZDUSSCGKSA-N 1 2 379.263 2.473 20 0 GEADLO C[C@@H](NC(=O)c1c(O)cnc2c(Br)cccc21)[C@H]1C[N@H+](C)CCO1 ZINC000685790470 532495979 /nfs/dbraw/zinc/49/59/79/532495979.db2.gz YVCFITGMAUJNLO-QMTHXVAHSA-N 1 2 394.269 2.152 20 0 GEADLO C[C@@H](NC(=O)c1c(O)cnc2c(Br)cccc21)[C@H]1C[N@@H+](C)CCO1 ZINC000685790470 532495986 /nfs/dbraw/zinc/49/59/86/532495986.db2.gz YVCFITGMAUJNLO-QMTHXVAHSA-N 1 2 394.269 2.152 20 0 GEADLO O=[S@@](CCN1CC[NH+](CCCOCC(F)(F)F)CC1)c1ccccc1 ZINC000520564819 532496042 /nfs/dbraw/zinc/49/60/42/532496042.db2.gz XCZHGYMWVOEFEZ-VWLOTQADSA-N 1 2 378.460 2.381 20 0 GEADLO O=[S@@](CC[NH+]1CCN(CCCOCC(F)(F)F)CC1)c1ccccc1 ZINC000520564819 532496049 /nfs/dbraw/zinc/49/60/49/532496049.db2.gz XCZHGYMWVOEFEZ-VWLOTQADSA-N 1 2 378.460 2.381 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cc(Cl)ccc1F)C(C)(C)CO ZINC000295764658 532474361 /nfs/dbraw/zinc/47/43/61/532474361.db2.gz PHTNIRAOTGCSBH-CYBMUJFWSA-N 1 2 375.853 2.251 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000295760629 532474547 /nfs/dbraw/zinc/47/45/47/532474547.db2.gz OWRDPOVDYZHJNW-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)[C@@H](C(N)=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000195302198 532474500 /nfs/dbraw/zinc/47/45/00/532474500.db2.gz JKQXHONCTUKPCV-DVOMOZLQSA-N 1 2 384.318 2.017 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)[C@@H](C(N)=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000195302198 532474507 /nfs/dbraw/zinc/47/45/07/532474507.db2.gz JKQXHONCTUKPCV-DVOMOZLQSA-N 1 2 384.318 2.017 20 0 GEADLO C[C@@H]1CN(CC[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000195302198 532474514 /nfs/dbraw/zinc/47/45/14/532474514.db2.gz JKQXHONCTUKPCV-DVOMOZLQSA-N 1 2 384.318 2.017 20 0 GEADLO C[C@@H]1CN(CC[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000195302198 532474520 /nfs/dbraw/zinc/47/45/20/532474520.db2.gz JKQXHONCTUKPCV-DVOMOZLQSA-N 1 2 384.318 2.017 20 0 GEADLO COC(=O)[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)[C@H]1C(C)C ZINC000429360665 532475031 /nfs/dbraw/zinc/47/50/31/532475031.db2.gz IALMEDWGDBIWIV-SOUVJXGZSA-N 1 2 383.286 2.495 20 0 GEADLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)[C@H]1C(C)C ZINC000429360665 532475038 /nfs/dbraw/zinc/47/50/38/532475038.db2.gz IALMEDWGDBIWIV-SOUVJXGZSA-N 1 2 383.286 2.495 20 0 GEADLO Cn1cc[nH+]c1CN1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000468801744 532476182 /nfs/dbraw/zinc/47/61/82/532476182.db2.gz CIUKDEJZGZXGAN-UHFFFAOYSA-N 1 2 399.239 2.419 20 0 GEADLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296109174 532503009 /nfs/dbraw/zinc/50/30/09/532503009.db2.gz DVHBTYCEVVUCNU-VIFPVBQESA-N 1 2 379.404 2.019 20 0 GEADLO COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)s1 ZINC000296208137 532505095 /nfs/dbraw/zinc/50/50/95/532505095.db2.gz WKMMLXGNCZSALC-CYBMUJFWSA-N 1 2 386.499 2.045 20 0 GEADLO COc1cc(Cl)c(Br)cc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000469598526 532506089 /nfs/dbraw/zinc/50/60/89/532506089.db2.gz IUDADZMHEZZWIX-TZMCWYRMSA-N 1 2 389.677 2.266 20 0 GEADLO COc1cc(Cl)c(Br)cc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000469598526 532506090 /nfs/dbraw/zinc/50/60/90/532506090.db2.gz IUDADZMHEZZWIX-TZMCWYRMSA-N 1 2 389.677 2.266 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000296221961 532507831 /nfs/dbraw/zinc/50/78/31/532507831.db2.gz KGDGFZKMHWTHDG-KRWDZBQOSA-N 1 2 399.285 2.208 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000296221961 532507834 /nfs/dbraw/zinc/50/78/34/532507834.db2.gz KGDGFZKMHWTHDG-KRWDZBQOSA-N 1 2 399.285 2.208 20 0 GEADLO Cc1ncc2c(n1)CC[N@@H+](C[C@@H](O)COc1cccc(Br)c1)C2 ZINC000521185039 532508223 /nfs/dbraw/zinc/50/82/23/532508223.db2.gz ZYEXSWTXWFOTOA-OAHLLOKOSA-N 1 2 378.270 2.346 20 0 GEADLO Cc1ncc2c(n1)CC[N@H+](C[C@@H](O)COc1cccc(Br)c1)C2 ZINC000521185039 532508231 /nfs/dbraw/zinc/50/82/31/532508231.db2.gz ZYEXSWTXWFOTOA-OAHLLOKOSA-N 1 2 378.270 2.346 20 0 GEADLO Cc1sc(Br)nc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000282957511 532508613 /nfs/dbraw/zinc/50/86/13/532508613.db2.gz IIOPLIRNBFFQKZ-UHFFFAOYSA-N 1 2 397.298 2.376 20 0 GEADLO COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCOCC(F)F)CC1 ZINC000469720406 532510325 /nfs/dbraw/zinc/51/03/25/532510325.db2.gz HLPXGQYBXGDYSK-MRXNPFEDSA-N 1 2 376.831 2.453 20 0 GEADLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ncc(Br)cn1 ZINC000431507508 532514501 /nfs/dbraw/zinc/51/45/01/532514501.db2.gz SXENKVFGZOGZSO-NWDGAFQWSA-N 1 2 393.289 2.411 20 0 GEADLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ncc(Br)cn1 ZINC000431507508 532514507 /nfs/dbraw/zinc/51/45/07/532514507.db2.gz SXENKVFGZOGZSO-NWDGAFQWSA-N 1 2 393.289 2.411 20 0 GEADLO Nc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c[nH+]1 ZINC000237982979 532515506 /nfs/dbraw/zinc/51/55/06/532515506.db2.gz UKEGCYSJGDWRPL-UHFFFAOYSA-N 1 2 380.495 2.081 20 0 GEADLO Cc1sc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1CS(C)(=O)=O ZINC000469989239 532517081 /nfs/dbraw/zinc/51/70/81/532517081.db2.gz FTPFYGGZZPJVDQ-UHFFFAOYSA-N 1 2 381.523 2.406 20 0 GEADLO COc1ccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)nc1Br ZINC000374367583 532498722 /nfs/dbraw/zinc/49/87/22/532498722.db2.gz WNMIZXCMYJIQSP-ZDUSSCGKSA-N 1 2 377.242 2.034 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374373164 532499495 /nfs/dbraw/zinc/49/94/95/532499495.db2.gz RBBBCRWIXPZAJM-OAHLLOKOSA-N 1 2 391.269 2.343 20 0 GEADLO NC(=O)C[C@H]1CC[N@H+](Cc2c(Br)cncc2Br)C1 ZINC000685847804 532499841 /nfs/dbraw/zinc/49/98/41/532499841.db2.gz CSJJBYXAMANHJM-MRVPVSSYSA-N 1 2 377.080 2.304 20 0 GEADLO NC(=O)C[C@H]1CC[N@@H+](Cc2c(Br)cncc2Br)C1 ZINC000685847804 532499843 /nfs/dbraw/zinc/49/98/43/532499843.db2.gz CSJJBYXAMANHJM-MRVPVSSYSA-N 1 2 377.080 2.304 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000375187998 532540714 /nfs/dbraw/zinc/54/07/14/532540714.db2.gz LTBDHFVPZFIBCB-LLVKDONJSA-N 1 2 383.857 2.179 20 0 GEADLO CCn1ncc2ncn(Cc3[nH+]c4ccc(Br)cc4n3C)c(=O)c21 ZINC000631019064 532540697 /nfs/dbraw/zinc/54/06/97/532540697.db2.gz HSXLCJZGKYNPOL-UHFFFAOYSA-N 1 2 387.241 2.310 20 0 GEADLO CC(=O)NCCN(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000565017686 532542080 /nfs/dbraw/zinc/54/20/80/532542080.db2.gz DBEQZBSXNPVTGQ-INIZCTEOSA-N 1 2 382.302 2.181 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)c1c(Cl)ccc(F)c1F)N1CC[NH+](C)CC1 ZINC000283566541 532545637 /nfs/dbraw/zinc/54/56/37/532545637.db2.gz POPOIDCDQWPWBD-CQSZACIVSA-N 1 2 395.903 2.169 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000374867586 532521897 /nfs/dbraw/zinc/52/18/97/532521897.db2.gz DOQNZYWZVJVGGO-CQSZACIVSA-N 1 2 396.285 2.225 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000374867586 532521899 /nfs/dbraw/zinc/52/18/99/532521899.db2.gz DOQNZYWZVJVGGO-CQSZACIVSA-N 1 2 396.285 2.225 20 0 GEADLO O=C(NCc1nc(C[N@H+]2CCSC[C@H]2CCO)cs1)c1ccccc1 ZINC000470190475 532523017 /nfs/dbraw/zinc/52/30/17/532523017.db2.gz MVWPMLGMYZQINU-MRXNPFEDSA-N 1 2 377.535 2.373 20 0 GEADLO O=C(NCc1nc(C[N@@H+]2CCSC[C@H]2CCO)cs1)c1ccccc1 ZINC000470190475 532523022 /nfs/dbraw/zinc/52/30/22/532523022.db2.gz MVWPMLGMYZQINU-MRXNPFEDSA-N 1 2 377.535 2.373 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000245717680 532524091 /nfs/dbraw/zinc/52/40/91/532524091.db2.gz OIPLDOQAPPYSOR-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000245717680 532524093 /nfs/dbraw/zinc/52/40/93/532524093.db2.gz OIPLDOQAPPYSOR-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)CCO1 ZINC000470431073 532527540 /nfs/dbraw/zinc/52/75/40/532527540.db2.gz VNPZCZVROWOFJR-HIFRSBDPSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)CCO1 ZINC000470431073 532527544 /nfs/dbraw/zinc/52/75/44/532527544.db2.gz VNPZCZVROWOFJR-HIFRSBDPSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccccc2I)CCO1 ZINC000470454486 532529131 /nfs/dbraw/zinc/52/91/31/532529131.db2.gz ZTVDOXGWANXJLV-GFCCVEGCSA-N 1 2 388.249 2.132 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2I)CCO1 ZINC000470454486 532529135 /nfs/dbraw/zinc/52/91/35/532529135.db2.gz ZTVDOXGWANXJLV-GFCCVEGCSA-N 1 2 388.249 2.132 20 0 GEADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000525341835 532530719 /nfs/dbraw/zinc/53/07/19/532530719.db2.gz FIUXJCFFPNANRN-CQSZACIVSA-N 1 2 379.917 2.257 20 0 GEADLO CCn1nc(C)c(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000296672895 532533941 /nfs/dbraw/zinc/53/39/41/532533941.db2.gz GGQNZRBVQMBDSR-AWEZNQCLSA-N 1 2 378.274 2.264 20 0 GEADLO Brc1cnc(C[NH2+]C2CN(c3ccncn3)C2)c(Br)c1 ZINC000631256268 532550774 /nfs/dbraw/zinc/55/07/74/532550774.db2.gz CZQSKGWACUJCTH-UHFFFAOYSA-N 1 2 399.090 2.375 20 0 GEADLO C[C@@H]([NH2+]CC(=O)NCCOc1ccccc1)c1ncc(Br)cn1 ZINC000432994742 532552601 /nfs/dbraw/zinc/55/26/01/532552601.db2.gz VNLBHNICEIRSBC-GFCCVEGCSA-N 1 2 379.258 2.085 20 0 GEADLO C[C@@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1ncc(Br)cn1 ZINC000432997202 532552661 /nfs/dbraw/zinc/55/26/61/532552661.db2.gz WNEWNUNNERIOMG-SECBINFHSA-N 1 2 385.212 2.484 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCOC[C@@H]1C[C@H](C)O)c1ccc(Br)cc1 ZINC000248643771 532552756 /nfs/dbraw/zinc/55/27/56/532552756.db2.gz ZDWYNSWRDMQXQJ-ZENOOKHLSA-N 1 2 385.302 2.098 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCOC[C@@H]1C[C@H](C)O)c1ccc(Br)cc1 ZINC000248643771 532552763 /nfs/dbraw/zinc/55/27/63/532552763.db2.gz ZDWYNSWRDMQXQJ-ZENOOKHLSA-N 1 2 385.302 2.098 20 0 GEADLO COC(=O)CCN1CCC[C@H]([N@H+](C)Cc2ccccc2Br)C1=O ZINC000595287740 532553234 /nfs/dbraw/zinc/55/32/34/532553234.db2.gz GZUDCWSZCAFQHX-HNNXBMFYSA-N 1 2 383.286 2.435 20 0 GEADLO COC(=O)CCN1CCC[C@H]([N@@H+](C)Cc2ccccc2Br)C1=O ZINC000595287740 532553239 /nfs/dbraw/zinc/55/32/39/532553239.db2.gz GZUDCWSZCAFQHX-HNNXBMFYSA-N 1 2 383.286 2.435 20 0 GEADLO NC(=O)[C@@H]1C[N@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C(F)(F)F ZINC000375404466 532554907 /nfs/dbraw/zinc/55/49/07/532554907.db2.gz XUXRIHXJXFZHOG-RKDXNWHRSA-N 1 2 395.175 2.273 20 0 GEADLO NC(=O)[C@@H]1C[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C(F)(F)F ZINC000375404466 532554914 /nfs/dbraw/zinc/55/49/14/532554914.db2.gz XUXRIHXJXFZHOG-RKDXNWHRSA-N 1 2 395.175 2.273 20 0 GEADLO CCN1C[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1=O ZINC000565287545 532555652 /nfs/dbraw/zinc/55/56/52/532555652.db2.gz KTRZPRHXAQXGOC-RDJZCZTQSA-N 1 2 394.313 2.323 20 0 GEADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000433183831 532556504 /nfs/dbraw/zinc/55/65/04/532556504.db2.gz UHMPGCQXLNBOFU-YLGBZRSBSA-N 1 2 376.316 2.032 20 0 GEADLO C[C@@H]1CC[S@](=O)CC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000433183831 532556510 /nfs/dbraw/zinc/55/65/10/532556510.db2.gz UHMPGCQXLNBOFU-YLGBZRSBSA-N 1 2 376.316 2.032 20 0 GEADLO Cn1cc(Br)c(CN2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)n1 ZINC000433187302 532556802 /nfs/dbraw/zinc/55/68/02/532556802.db2.gz NSIKQUYZRBDBPN-MRXNPFEDSA-N 1 2 387.322 2.078 20 0 GEADLO COC[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)O1 ZINC000433236456 532558321 /nfs/dbraw/zinc/55/83/21/532558321.db2.gz RACPVVIUGHYAPI-VBNZEHGJSA-N 1 2 383.286 2.290 20 0 GEADLO COC[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)O1 ZINC000433236456 532558326 /nfs/dbraw/zinc/55/83/26/532558326.db2.gz RACPVVIUGHYAPI-VBNZEHGJSA-N 1 2 383.286 2.290 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1)c1ccc(Br)cc1 ZINC000249020176 532558912 /nfs/dbraw/zinc/55/89/12/532558912.db2.gz QNOPRRXGNOIGNK-GUYCJALGSA-N 1 2 383.286 2.118 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1)c1ccc(Br)cc1 ZINC000249020176 532558918 /nfs/dbraw/zinc/55/89/18/532558918.db2.gz QNOPRRXGNOIGNK-GUYCJALGSA-N 1 2 383.286 2.118 20 0 GEADLO C[C@@H]1CN(c2ccc(CNS(=O)(=O)CCC(C)(F)F)c[nH+]2)C[C@H](C)O1 ZINC000631753746 532559182 /nfs/dbraw/zinc/55/91/82/532559182.db2.gz SNQYYMXUMUKWOG-BETUJISGSA-N 1 2 377.457 2.160 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000283832814 532559873 /nfs/dbraw/zinc/55/98/73/532559873.db2.gz GYACOCFGBXENLN-NEPJUHHUSA-N 1 2 388.295 2.008 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000433359733 532565132 /nfs/dbraw/zinc/56/51/32/532565132.db2.gz DCBWUMCSKWXCAC-LBPRGKRZSA-N 1 2 381.325 2.476 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000297074897 532565156 /nfs/dbraw/zinc/56/51/56/532565156.db2.gz LRLXDCMBGWXZMX-SWLSCSKDSA-N 1 2 381.274 2.409 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000433366685 532565691 /nfs/dbraw/zinc/56/56/91/532565691.db2.gz ZUYRVNLDHAIIPC-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000433366685 532565696 /nfs/dbraw/zinc/56/56/96/532565696.db2.gz ZUYRVNLDHAIIPC-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000433364286 532566333 /nfs/dbraw/zinc/56/63/33/532566333.db2.gz NKMFDYRNGOOAAO-GOSISDBHSA-N 1 2 377.595 2.278 20 0 GEADLO O=C(c1cc(O)cc(Br)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000528516060 532568111 /nfs/dbraw/zinc/56/81/11/532568111.db2.gz CIHJYCTZROOFAD-OAHLLOKOSA-N 1 2 383.286 2.482 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CC(=O)NCc2sccc2C)C1 ZINC000595628069 532568458 /nfs/dbraw/zinc/56/84/58/532568458.db2.gz VWXQGOJIKBBESW-NEPJUHHUSA-N 1 2 378.416 2.346 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CC(=O)NCc2sccc2C)C1 ZINC000595628069 532568464 /nfs/dbraw/zinc/56/84/64/532568464.db2.gz VWXQGOJIKBBESW-NEPJUHHUSA-N 1 2 378.416 2.346 20 0 GEADLO O=S(=O)(N1CCCCC1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000247325501 532546550 /nfs/dbraw/zinc/54/65/50/532546550.db2.gz NGUOTRSXKDLJPY-UHFFFAOYSA-N 1 2 387.933 2.067 20 0 GEADLO C[C@H]1CC[S@](=O)CCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000432860159 532547502 /nfs/dbraw/zinc/54/75/02/532547502.db2.gz QUTNVOOVPFCOPG-RULNZOCKSA-N 1 2 399.314 2.149 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)N(C)CC[N@@H+]1CCOC[C@@H]1C ZINC000249639202 532569554 /nfs/dbraw/zinc/56/95/54/532569554.db2.gz XMMHSILWOBSHLU-XJKSGUPXSA-N 1 2 385.302 2.316 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)N(C)CC[N@H+]1CCOC[C@@H]1C ZINC000249639202 532569557 /nfs/dbraw/zinc/56/95/57/532569557.db2.gz XMMHSILWOBSHLU-XJKSGUPXSA-N 1 2 385.302 2.316 20 0 GEADLO Cc1c(I)cccc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000471302226 532548530 /nfs/dbraw/zinc/54/85/30/532548530.db2.gz ACPKBMJFEMYPTL-NSHDSACASA-N 1 2 388.249 2.050 20 0 GEADLO Cc1c(I)cccc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000471302226 532548535 /nfs/dbraw/zinc/54/85/35/532548535.db2.gz ACPKBMJFEMYPTL-NSHDSACASA-N 1 2 388.249 2.050 20 0 GEADLO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]Cc1n[nH]cc1Br ZINC000527282854 532548946 /nfs/dbraw/zinc/54/89/46/532548946.db2.gz CUYXFBVXHFOYSO-SNVBAGLBSA-N 1 2 387.303 2.287 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)CCOC(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000632161308 532583704 /nfs/dbraw/zinc/58/37/04/532583704.db2.gz WCVLYKRKBXUUPN-JKSUJKDBSA-N 1 2 376.469 2.445 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)CCOC(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000632161308 532583708 /nfs/dbraw/zinc/58/37/08/532583708.db2.gz WCVLYKRKBXUUPN-JKSUJKDBSA-N 1 2 376.469 2.445 20 0 GEADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)sc1Cl ZINC000262076806 532584329 /nfs/dbraw/zinc/58/43/29/532584329.db2.gz SRTWBSAMBRMNOY-QMMMGPOBSA-N 1 2 381.310 2.124 20 0 GEADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000262079659 532584765 /nfs/dbraw/zinc/58/47/65/532584765.db2.gz SYJSDYJFQZIOTA-CQSZACIVSA-N 1 2 389.308 2.203 20 0 GEADLO O=C(NCC[NH+]1CCN(Cc2ncc(Cl)s2)CC1)c1ccccc1F ZINC000473142833 532585092 /nfs/dbraw/zinc/58/50/92/532585092.db2.gz RDQPGCVITQOJEH-UHFFFAOYSA-N 1 2 382.892 2.483 20 0 GEADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000473116968 532586175 /nfs/dbraw/zinc/58/61/75/532586175.db2.gz FWIPJNOKITUUEH-CQSZACIVSA-N 1 2 382.258 2.183 20 0 GEADLO O=S(=O)(NCc1[nH+]ccn1CC(F)(F)F)c1cnn(C2CCCC2)c1 ZINC000632180663 532586566 /nfs/dbraw/zinc/58/65/66/532586566.db2.gz HNIWYKVVKVHOJS-UHFFFAOYSA-N 1 2 377.392 2.236 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000473281611 532587115 /nfs/dbraw/zinc/58/71/15/532587115.db2.gz GFFIWMLXEPDVAJ-UHFFFAOYSA-N 1 2 389.257 2.437 20 0 GEADLO COC(=O)[C@H](CNc1nc(C)[nH+]c(C)c1Br)Cc1ccc(O)cc1 ZINC000596124625 532588789 /nfs/dbraw/zinc/58/87/89/532588789.db2.gz XWPZWUURQOTVTI-ZDUSSCGKSA-N 1 2 394.269 3.005 20 0 GEADLO O=C(Cc1nsc2ccccc12)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000566114076 532592980 /nfs/dbraw/zinc/59/29/80/532592980.db2.gz ZUXVDGHSUKWAPX-GOSISDBHSA-N 1 2 377.535 2.163 20 0 GEADLO CC1(C(N)=O)C[NH+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000565596570 532572005 /nfs/dbraw/zinc/57/20/05/532572005.db2.gz HZSFYAVYGVXAFX-UHFFFAOYSA-N 1 2 394.191 2.214 20 0 GEADLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(=O)n3ccsc3n2)cc1 ZINC000284005289 532572758 /nfs/dbraw/zinc/57/27/58/532572758.db2.gz DSQWWZKJXNFBBF-LBPRGKRZSA-N 1 2 377.491 2.400 20 0 GEADLO C[C@H](CNC(=O)C(=O)Nc1ccccc1Br)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654884485 532573389 /nfs/dbraw/zinc/57/33/89/532573389.db2.gz UEJUISQVMBSVIF-UPJWGTAASA-N 1 2 398.301 2.002 20 0 GEADLO C[C@H](CNC(=O)C(=O)Nc1ccccc1Br)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654884485 532573395 /nfs/dbraw/zinc/57/33/95/532573395.db2.gz UEJUISQVMBSVIF-UPJWGTAASA-N 1 2 398.301 2.002 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000433571178 532573908 /nfs/dbraw/zinc/57/39/08/532573908.db2.gz BXXOWTSQJUNVSE-DZGCQCFKSA-N 1 2 381.464 2.178 20 0 GEADLO C[C@H](NS(=O)(=O)CCC(C)(F)F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000632023957 532574113 /nfs/dbraw/zinc/57/41/13/532574113.db2.gz ZEWFDXQQJHTTTD-GOEBONIOSA-N 1 2 376.469 2.241 20 0 GEADLO C[C@H](NS(=O)(=O)CCC(C)(F)F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000632023957 532574120 /nfs/dbraw/zinc/57/41/20/532574120.db2.gz ZEWFDXQQJHTTTD-GOEBONIOSA-N 1 2 376.469 2.241 20 0 GEADLO CO[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000654890491 532574589 /nfs/dbraw/zinc/57/45/89/532574589.db2.gz ZPPAICHAIGTBHH-CJNGLKHVSA-N 1 2 383.286 2.070 20 0 GEADLO Cc1ncc(CNC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)c(=O)[nH]1 ZINC000565759157 532576703 /nfs/dbraw/zinc/57/67/03/532576703.db2.gz JOTQASDONDJWEH-UHFFFAOYSA-N 1 2 381.234 2.036 20 0 GEADLO O=C(Cc1cc(Br)ccc1F)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000433756150 532577667 /nfs/dbraw/zinc/57/76/67/532577667.db2.gz DKQAZNNJTGQJKG-UHFFFAOYSA-N 1 2 381.249 2.198 20 0 GEADLO CC(=O)NCC(=O)N1CCC[N@@H+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000528729222 532578317 /nfs/dbraw/zinc/57/83/17/532578317.db2.gz JRRXTONXPGMWSI-ZDUSSCGKSA-N 1 2 382.302 2.181 20 0 GEADLO CC(=O)NCC(=O)N1CCC[N@H+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000528729222 532578328 /nfs/dbraw/zinc/57/83/28/532578328.db2.gz JRRXTONXPGMWSI-ZDUSSCGKSA-N 1 2 382.302 2.181 20 0 GEADLO Cc1c(Br)cc(C(=O)NCc2cn3ccccc3[nH+]2)c(=O)n1C ZINC000433821742 532579451 /nfs/dbraw/zinc/57/94/51/532579451.db2.gz HUDRHEPJUPKBHC-UHFFFAOYSA-N 1 2 375.226 2.034 20 0 GEADLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632143958 532581983 /nfs/dbraw/zinc/58/19/83/532581983.db2.gz IALMLLLNBRZHPU-LBPRGKRZSA-N 1 2 378.479 2.360 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)CCc2ccc(Cl)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000632501565 532614997 /nfs/dbraw/zinc/61/49/97/532614997.db2.gz DBKHTZRCYPKEDT-IRXDYDNUSA-N 1 2 386.945 2.301 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)c2cc(Cl)ccc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000632501628 532615046 /nfs/dbraw/zinc/61/50/46/532615046.db2.gz DYUKQXMIWHQIKF-GJZGRUSLSA-N 1 2 376.881 2.257 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)n1 ZINC000284737873 532615567 /nfs/dbraw/zinc/61/55/67/532615567.db2.gz KSZOLWJMAFBXMR-YGRLFVJLSA-N 1 2 392.308 2.313 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)n1 ZINC000284737873 532615574 /nfs/dbraw/zinc/61/55/74/532615574.db2.gz KSZOLWJMAFBXMR-YGRLFVJLSA-N 1 2 392.308 2.313 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)CCc1ccccc1Cl ZINC000632503122 532616650 /nfs/dbraw/zinc/61/66/50/532616650.db2.gz VSRFIGABWYPBAE-DLBZAZTESA-N 1 2 386.945 2.301 20 0 GEADLO COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263158399 532617196 /nfs/dbraw/zinc/61/71/96/532617196.db2.gz DQXSLJQIDYBPEA-LBPRGKRZSA-N 1 2 375.803 2.099 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@H]1[NH+]1CCOCC1 ZINC000632502448 532617487 /nfs/dbraw/zinc/61/74/87/532617487.db2.gz NAZZJIKORAZUAO-CHWSQXEVSA-N 1 2 394.871 2.396 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)CCc2ccccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000632503123 532617683 /nfs/dbraw/zinc/61/76/83/532617683.db2.gz VSRFIGABWYPBAE-IAGOWNOFSA-N 1 2 386.945 2.301 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)C[C@@H]2CCCCC2(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000632503112 532617911 /nfs/dbraw/zinc/61/79/11/532617911.db2.gz VJWPZRQVNZQKCC-RRFJBIMHSA-N 1 2 380.501 2.231 20 0 GEADLO CSc1ccc([C@@H](CNC(=O)NCCS(=O)(=O)C(C)C)[NH+](C)C)cc1 ZINC000298038449 532620401 /nfs/dbraw/zinc/62/04/01/532620401.db2.gz RMDYYHZMSUROMA-MRXNPFEDSA-N 1 2 387.571 2.134 20 0 GEADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccnc1-n1cc(Br)cn1 ZINC000566660044 532621505 /nfs/dbraw/zinc/62/15/05/532621505.db2.gz OMOOPVVMCPMUCC-LLVKDONJSA-N 1 2 387.241 2.040 20 0 GEADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccnc1-n1cc(Br)cn1 ZINC000566660044 532621519 /nfs/dbraw/zinc/62/15/19/532621519.db2.gz OMOOPVVMCPMUCC-LLVKDONJSA-N 1 2 387.241 2.040 20 0 GEADLO Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632282313 532597088 /nfs/dbraw/zinc/59/70/88/532597088.db2.gz YGLWCFVJAGUIFO-ZFWWWQNUSA-N 1 2 380.432 2.239 20 0 GEADLO Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632282313 532597094 /nfs/dbraw/zinc/59/70/94/532597094.db2.gz YGLWCFVJAGUIFO-ZFWWWQNUSA-N 1 2 380.432 2.239 20 0 GEADLO CCOc1cc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc(Br)c1O ZINC000297621772 532598725 /nfs/dbraw/zinc/59/87/25/532598725.db2.gz LHUQXCZWWOWRHI-UHFFFAOYSA-N 1 2 380.242 2.195 20 0 GEADLO CCOc1cc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)cc(Br)c1O ZINC000297621772 532598733 /nfs/dbraw/zinc/59/87/33/532598733.db2.gz LHUQXCZWWOWRHI-UHFFFAOYSA-N 1 2 380.242 2.195 20 0 GEADLO CCCc1csc(NC(=O)C(=O)NCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000434851046 532605021 /nfs/dbraw/zinc/60/50/21/532605021.db2.gz NZZFCUNXSWCHDQ-UHFFFAOYSA-N 1 2 375.376 2.109 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nc2ccccc2cc1Br ZINC000656138665 532605864 /nfs/dbraw/zinc/60/58/64/532605864.db2.gz FFQNKSDHPRKYRY-AWEZNQCLSA-N 1 2 380.286 2.127 20 0 GEADLO CC(=O)NC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CCO1 ZINC000529535315 532606463 /nfs/dbraw/zinc/60/64/63/532606463.db2.gz UAYUSKYDEWTTMT-GFCCVEGCSA-N 1 2 399.314 2.238 20 0 GEADLO CC(=O)NC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CCO1 ZINC000529535315 532606469 /nfs/dbraw/zinc/60/64/69/532606469.db2.gz UAYUSKYDEWTTMT-GFCCVEGCSA-N 1 2 399.314 2.238 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)cs1 ZINC000529527437 532606514 /nfs/dbraw/zinc/60/65/14/532606514.db2.gz CNMSLCXABCBUPG-UHFFFAOYSA-N 1 2 376.507 2.439 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ncc(Br)cc2F)C1 ZINC000529526184 532606739 /nfs/dbraw/zinc/60/67/39/532606739.db2.gz IBVGUUWKZGKGFG-VXGBXAGGSA-N 1 2 388.281 2.346 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncc(Br)cc2F)C1 ZINC000529526184 532606744 /nfs/dbraw/zinc/60/67/44/532606744.db2.gz IBVGUUWKZGKGFG-VXGBXAGGSA-N 1 2 388.281 2.346 20 0 GEADLO CCc1csc(NC(=O)C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)n1 ZINC000435018579 532607955 /nfs/dbraw/zinc/60/79/55/532607955.db2.gz XTEYJDHIDSVMTN-UHFFFAOYSA-N 1 2 375.376 2.061 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccnc1Br)C(C)(C)CO ZINC000297792043 532608424 /nfs/dbraw/zinc/60/84/24/532608424.db2.gz WUPXOYPXUMAYAQ-NSHDSACASA-N 1 2 382.262 2.459 20 0 GEADLO CN(C[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2F)C1)S(C)(=O)=O ZINC000529567094 532608542 /nfs/dbraw/zinc/60/85/42/532608542.db2.gz SBGFDABMPZPQNE-NSHDSACASA-N 1 2 394.310 2.087 20 0 GEADLO CN(C[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2F)C1)S(C)(=O)=O ZINC000529567094 532608545 /nfs/dbraw/zinc/60/85/45/532608545.db2.gz SBGFDABMPZPQNE-NSHDSACASA-N 1 2 394.310 2.087 20 0 GEADLO O=C(c1cc2sccc2s1)N1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263017381 532610683 /nfs/dbraw/zinc/61/06/83/532610683.db2.gz QNCBGYMBZOHKEF-SNVBAGLBSA-N 1 2 385.461 2.244 20 0 GEADLO CCOc1cc(C[NH+]2CCN(c3nncn3C)CC2)cc(Br)c1O ZINC000656273181 532610869 /nfs/dbraw/zinc/61/08/69/532610869.db2.gz WVVZDXKPQKKDBR-UHFFFAOYSA-N 1 2 396.289 2.004 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3csc(CO)n3)[nH+]c12 ZINC000632439957 532611010 /nfs/dbraw/zinc/61/10/10/532611010.db2.gz NTQUQNTWOHREMX-UHFFFAOYSA-N 1 2 395.282 2.327 20 0 GEADLO Cc1cccc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)c1Br ZINC000435223077 532610979 /nfs/dbraw/zinc/61/09/79/532610979.db2.gz PTUMRFSUSKZFFG-UHFFFAOYSA-N 1 2 382.239 2.300 20 0 GEADLO C[N@@H+]1CCN(Cc2csc(CS(C)(=O)=O)n2)C[C@@H]1Cc1ccccc1 ZINC000284701490 532611884 /nfs/dbraw/zinc/61/18/84/532611884.db2.gz IBJNZCGLJSOUNX-KRWDZBQOSA-N 1 2 379.551 2.046 20 0 GEADLO C[N@H+]1CCN(Cc2csc(CS(C)(=O)=O)n2)C[C@@H]1Cc1ccccc1 ZINC000284701490 532611889 /nfs/dbraw/zinc/61/18/89/532611889.db2.gz IBJNZCGLJSOUNX-KRWDZBQOSA-N 1 2 379.551 2.046 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)Cc1cccc(Br)c1)C2 ZINC000376386570 532611908 /nfs/dbraw/zinc/61/19/08/532611908.db2.gz SJJAZSIAZYPUJR-AWEZNQCLSA-N 1 2 384.299 2.388 20 0 GEADLO CCSC1(CNC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000597169138 532613576 /nfs/dbraw/zinc/61/35/76/532613576.db2.gz GPRILUPXFLEGDN-OAHLLOKOSA-N 1 2 383.945 2.461 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)s1 ZINC000632534322 532622808 /nfs/dbraw/zinc/62/28/08/532622808.db2.gz SXKOPERBVYZHTC-UHFFFAOYSA-N 1 2 385.555 2.023 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)N2CC[N@H+](C)C3(CCCCC3)C2)s1 ZINC000632534322 532622815 /nfs/dbraw/zinc/62/28/15/532622815.db2.gz SXKOPERBVYZHTC-UHFFFAOYSA-N 1 2 385.555 2.023 20 0 GEADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1C[C@H](O)COc1cccc(Br)c1 ZINC000376648644 532623226 /nfs/dbraw/zinc/62/32/26/532623226.db2.gz KMHNDDHYHJFSRK-BRZCCTTDSA-N 1 2 376.316 2.032 20 0 GEADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1C[C@H](O)COc1cccc(Br)c1 ZINC000376648644 532623236 /nfs/dbraw/zinc/62/32/36/532623236.db2.gz KMHNDDHYHJFSRK-BRZCCTTDSA-N 1 2 376.316 2.032 20 0 GEADLO CCc1ccc(CNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)s1 ZINC000284856148 532625499 /nfs/dbraw/zinc/62/54/99/532625499.db2.gz AJCBGHCZKPBSJG-UHFFFAOYSA-N 1 2 377.535 2.163 20 0 GEADLO CCc1ccc(CNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)s1 ZINC000284856148 532625506 /nfs/dbraw/zinc/62/55/06/532625506.db2.gz AJCBGHCZKPBSJG-UHFFFAOYSA-N 1 2 377.535 2.163 20 0 GEADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)Nc1nc(C2CC2)cs1 ZINC000376731753 532626313 /nfs/dbraw/zinc/62/63/13/532626313.db2.gz AQPRKUYBBAJTLK-UHFFFAOYSA-N 1 2 376.507 2.195 20 0 GEADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)Nc1nc(C2CC2)cs1 ZINC000376731753 532626319 /nfs/dbraw/zinc/62/63/19/532626319.db2.gz AQPRKUYBBAJTLK-UHFFFAOYSA-N 1 2 376.507 2.195 20 0 GEADLO CCn1cncc1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000530717602 532627542 /nfs/dbraw/zinc/62/75/42/532627542.db2.gz OFTNBCNMTSYGDI-OAHLLOKOSA-N 1 2 379.873 2.358 20 0 GEADLO O=C(C[NH+]1CCC(NC(=O)[C@@H]2CSCCS2)CC1)Nc1ccccc1 ZINC000298171376 532630982 /nfs/dbraw/zinc/63/09/82/532630982.db2.gz OMJNQYFVGPXGCK-INIZCTEOSA-N 1 2 379.551 2.054 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000284913673 532631192 /nfs/dbraw/zinc/63/11/92/532631192.db2.gz MUBXPYCXYGXTSR-JKSUJKDBSA-N 1 2 378.519 2.428 20 0 GEADLO C[C@H](Cc1cc(Br)ccc1F)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000436385394 532633003 /nfs/dbraw/zinc/63/30/03/532633003.db2.gz HXOZENKXIMHKOJ-MRVPVSSYSA-N 1 2 379.237 2.890 20 0 GEADLO C[C@@H](Cc1cc(Br)ccc1F)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000436385396 532633429 /nfs/dbraw/zinc/63/34/29/532633429.db2.gz HXOZENKXIMHKOJ-QMMMGPOBSA-N 1 2 379.237 2.890 20 0 GEADLO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000475037198 532636162 /nfs/dbraw/zinc/63/61/62/532636162.db2.gz BOJQBUNPFNIQNL-KRWDZBQOSA-N 1 2 389.279 2.065 20 0 GEADLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ncccc1Br)c1ccsc1 ZINC000656871669 532636242 /nfs/dbraw/zinc/63/62/42/532636242.db2.gz PJRMHXKSEMKRDI-LBPRGKRZSA-N 1 2 390.328 2.487 20 0 GEADLO CC(C)(C)OCCCC[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000475048014 532636332 /nfs/dbraw/zinc/63/63/32/532636332.db2.gz QMIPACVINWXINH-UHFFFAOYSA-N 1 2 375.579 2.320 20 0 GEADLO CCS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@]2([NH+](C)C)CCCSC2)cc1 ZINC000377029539 532636724 /nfs/dbraw/zinc/63/67/24/532636724.db2.gz JAHYKULMESISTI-KSSFIOAISA-N 1 2 384.567 2.485 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1noc2ccc(Br)cc12 ZINC000567061967 532638154 /nfs/dbraw/zinc/63/81/54/532638154.db2.gz LTALJGORTGWIAX-IAQYHMDHSA-N 1 2 390.241 2.756 20 0 GEADLO Cc1sc(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)nc1C(C)C ZINC000377039799 532638739 /nfs/dbraw/zinc/63/87/39/532638739.db2.gz LEYSUUPUSDQXSK-SFHVURJKSA-N 1 2 383.583 2.442 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000436601706 532639079 /nfs/dbraw/zinc/63/90/79/532639079.db2.gz DEJBANCCJJXYGP-JTQLQIEISA-N 1 2 375.252 2.314 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000436601706 532639082 /nfs/dbraw/zinc/63/90/82/532639082.db2.gz DEJBANCCJJXYGP-JTQLQIEISA-N 1 2 375.252 2.314 20 0 GEADLO COC[C@H]([NH2+][C@@H](C)CCc1ccc(I)cc1)C(=O)OC ZINC000475191823 532640074 /nfs/dbraw/zinc/64/00/74/532640074.db2.gz FDTDBPDWFOQONQ-FZMZJTMJSA-N 1 2 391.249 2.390 20 0 GEADLO CCCCN(CCCC)S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531911831 532641672 /nfs/dbraw/zinc/64/16/72/532641672.db2.gz RRFTYMUGCJUTAC-MSOLQXFVSA-N 1 2 375.579 2.366 20 0 GEADLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Nc2cc(Br)ccn2)C1 ZINC000285038823 532642018 /nfs/dbraw/zinc/64/20/18/532642018.db2.gz IOUPGXZZEJPXTO-ZDUSSCGKSA-N 1 2 391.273 2.372 20 0 GEADLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Nc2cc(Br)ccn2)C1 ZINC000285038823 532642025 /nfs/dbraw/zinc/64/20/25/532642025.db2.gz IOUPGXZZEJPXTO-ZDUSSCGKSA-N 1 2 391.273 2.372 20 0 GEADLO Cc1cc(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)n(C)n1 ZINC000298353016 532643326 /nfs/dbraw/zinc/64/33/26/532643326.db2.gz MPUZAPUOGJFPHT-CQSZACIVSA-N 1 2 381.274 2.095 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)n(C)n1 ZINC000298353016 532643331 /nfs/dbraw/zinc/64/33/31/532643331.db2.gz MPUZAPUOGJFPHT-CQSZACIVSA-N 1 2 381.274 2.095 20 0 GEADLO O=C(CCc1cnccn1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000566663185 532622326 /nfs/dbraw/zinc/62/23/26/532622326.db2.gz QCWDONXKRYOPAP-UHFFFAOYSA-N 1 2 392.257 2.042 20 0 GEADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@@H](C)C2)cc1 ZINC000264093060 532660716 /nfs/dbraw/zinc/66/07/16/532660716.db2.gz GWFPRCYEMYQBMX-UONOGXRCSA-N 1 2 385.555 2.138 20 0 GEADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCS[C@@H](C)C2)cc1 ZINC000264093060 532660722 /nfs/dbraw/zinc/66/07/22/532660722.db2.gz GWFPRCYEMYQBMX-UONOGXRCSA-N 1 2 385.555 2.138 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000478941943 532662492 /nfs/dbraw/zinc/66/24/92/532662492.db2.gz ZIJDKROGDKSNBF-NSHDSACASA-N 1 2 387.303 2.300 20 0 GEADLO CSc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000298593071 532663148 /nfs/dbraw/zinc/66/31/48/532663148.db2.gz ZYGXDEKOBRPKKD-MRXNPFEDSA-N 1 2 384.567 2.124 20 0 GEADLO CSc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000298593071 532663154 /nfs/dbraw/zinc/66/31/54/532663154.db2.gz ZYGXDEKOBRPKKD-MRXNPFEDSA-N 1 2 384.567 2.124 20 0 GEADLO C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)[C@H](C)[NH+]1CCOCC1 ZINC000264175687 532665077 /nfs/dbraw/zinc/66/50/77/532665077.db2.gz AMJXTWJSGOOEEF-RYUDHWBXSA-N 1 2 377.432 2.418 20 0 GEADLO Cc1ccc(I)cc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000532165283 532647078 /nfs/dbraw/zinc/64/70/78/532647078.db2.gz PWLRXPDYOSYFDW-GFCCVEGCSA-N 1 2 388.249 2.050 20 0 GEADLO Cc1ccc(I)cc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000532165283 532647083 /nfs/dbraw/zinc/64/70/83/532647083.db2.gz PWLRXPDYOSYFDW-GFCCVEGCSA-N 1 2 388.249 2.050 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Cl)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000656921211 532647581 /nfs/dbraw/zinc/64/75/81/532647581.db2.gz LGDPQNASLDSPSA-HNNXBMFYSA-N 1 2 376.881 2.106 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000632871120 532648055 /nfs/dbraw/zinc/64/80/55/532648055.db2.gz QEESHBFDBIHBNI-IAOMBJDPSA-N 1 2 394.313 2.107 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Cl)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000656921212 532648100 /nfs/dbraw/zinc/64/81/00/532648100.db2.gz LGDPQNASLDSPSA-OAHLLOKOSA-N 1 2 376.881 2.106 20 0 GEADLO CN(CCNc1[nH+]cnc2c1c(Br)nn2C)C(=O)OC(C)(C)C ZINC000263936802 532650404 /nfs/dbraw/zinc/65/04/04/532650404.db2.gz CRMFCAXPHZHILN-UHFFFAOYSA-N 1 2 385.266 2.405 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NC[C@H](O)COc1ccc(F)cc1 ZINC000263934062 532651145 /nfs/dbraw/zinc/65/11/45/532651145.db2.gz BMGYMWJLOMRFBC-JTQLQIEISA-N 1 2 396.220 2.117 20 0 GEADLO NC(=O)[C@@H]([NH2+]CC(=O)N1Cc2ccccc2C1)c1cccc(Br)c1 ZINC000481684205 532668932 /nfs/dbraw/zinc/66/89/32/532668932.db2.gz KNYRPDCMDPBDAX-KRWDZBQOSA-N 1 2 388.265 2.108 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@H]2CCCO2)C1 ZINC000534098384 532669484 /nfs/dbraw/zinc/66/94/84/532669484.db2.gz MPGSQQVQIJYAOM-ZIAGYGMSSA-N 1 2 387.885 2.237 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@H]2CCCO2)C1 ZINC000534098384 532669485 /nfs/dbraw/zinc/66/94/85/532669485.db2.gz MPGSQQVQIJYAOM-ZIAGYGMSSA-N 1 2 387.885 2.237 20 0 GEADLO CS(=O)(=O)Nc1cc(NC(=O)C[N@@H+]2CCc3sccc3C2)ccc1F ZINC000377466014 532658669 /nfs/dbraw/zinc/65/86/69/532658669.db2.gz VAHUNHRNNSDZGO-UHFFFAOYSA-N 1 2 383.470 2.256 20 0 GEADLO CS(=O)(=O)Nc1cc(NC(=O)C[N@H+]2CCc3sccc3C2)ccc1F ZINC000377466014 532658671 /nfs/dbraw/zinc/65/86/71/532658671.db2.gz VAHUNHRNNSDZGO-UHFFFAOYSA-N 1 2 383.470 2.256 20 0 GEADLO CCOc1ccc(OC[C@H](O)C[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000567696747 532658916 /nfs/dbraw/zinc/65/89/16/532658916.db2.gz HCUDREWSHPGHLR-GFCCVEGCSA-N 1 2 384.274 2.111 20 0 GEADLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000532970905 532659420 /nfs/dbraw/zinc/65/94/20/532659420.db2.gz AHXYIEMHUNQIJR-VXGBXAGGSA-N 1 2 378.416 2.399 20 0 GEADLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000532970905 532659429 /nfs/dbraw/zinc/65/94/29/532659429.db2.gz AHXYIEMHUNQIJR-VXGBXAGGSA-N 1 2 378.416 2.399 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000264304339 532669819 /nfs/dbraw/zinc/66/98/19/532669819.db2.gz ZOXNWBIMOIJJEC-IUODEOHRSA-N 1 2 378.885 2.257 20 0 GEADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298737912 532671251 /nfs/dbraw/zinc/67/12/51/532671251.db2.gz JEBMOASJSJAMAH-RYUDHWBXSA-N 1 2 391.896 2.067 20 0 GEADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298737912 532671256 /nfs/dbraw/zinc/67/12/56/532671256.db2.gz JEBMOASJSJAMAH-RYUDHWBXSA-N 1 2 391.896 2.067 20 0 GEADLO Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1nnnn1C1CCOCC1 ZINC000568124498 532671881 /nfs/dbraw/zinc/67/18/81/532671881.db2.gz VPOMEMOTRXUKPL-AWEZNQCLSA-N 1 2 394.273 2.401 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000285334040 532671996 /nfs/dbraw/zinc/67/19/96/532671996.db2.gz OCVFUMWDVBXLNY-GXTWGEPZSA-N 1 2 376.881 2.104 20 0 GEADLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(Br)s3)CC2)nn1 ZINC000298754349 532672155 /nfs/dbraw/zinc/67/21/55/532672155.db2.gz XJZQQLFLRPDRSY-UHFFFAOYSA-N 1 2 397.298 2.409 20 0 GEADLO NC(=O)c1ccc(N2CC[NH+](Cc3ccccc3Br)CC2)nc1 ZINC000298750043 532672629 /nfs/dbraw/zinc/67/26/29/532672629.db2.gz MONQKWVZHAJATC-UHFFFAOYSA-N 1 2 375.270 2.265 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000438596517 532672935 /nfs/dbraw/zinc/67/29/35/532672935.db2.gz LCZJDLUUICVRKI-UONOGXRCSA-N 1 2 380.535 2.494 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000438596517 532672942 /nfs/dbraw/zinc/67/29/42/532672942.db2.gz LCZJDLUUICVRKI-UONOGXRCSA-N 1 2 380.535 2.494 20 0 GEADLO CN(CC(=O)N(C)CCOc1ccc(Br)cc1)Cc1[nH]cc[nH+]1 ZINC000660144955 532673627 /nfs/dbraw/zinc/67/36/27/532673627.db2.gz JPFLJOHYLRQGGQ-UHFFFAOYSA-N 1 2 381.274 2.141 20 0 GEADLO Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000568249224 532673896 /nfs/dbraw/zinc/67/38/96/532673896.db2.gz KYQMSARZZAPLAJ-LLVKDONJSA-N 1 2 388.273 2.399 20 0 GEADLO Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000568249225 532673972 /nfs/dbraw/zinc/67/39/72/532673972.db2.gz KYQMSARZZAPLAJ-NSHDSACASA-N 1 2 388.273 2.399 20 0 GEADLO COC(=O)C1CCN(C(=O)C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000483228675 532674751 /nfs/dbraw/zinc/67/47/51/532674751.db2.gz DZYWXXGMTRXPRC-AWEZNQCLSA-N 1 2 389.279 2.028 20 0 GEADLO O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377949857 532674825 /nfs/dbraw/zinc/67/48/25/532674825.db2.gz AGODSVFBGFIWLZ-QMMMGPOBSA-N 1 2 397.660 2.438 20 0 GEADLO O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377949857 532674830 /nfs/dbraw/zinc/67/48/30/532674830.db2.gz AGODSVFBGFIWLZ-QMMMGPOBSA-N 1 2 397.660 2.438 20 0 GEADLO CN(C)c1nc(N)nc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)n1 ZINC000298796530 532675141 /nfs/dbraw/zinc/67/51/41/532675141.db2.gz YQTOMQXFDGPAFX-UHFFFAOYSA-N 1 2 377.290 2.451 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3F)C[C@H]21 ZINC000285371881 532675603 /nfs/dbraw/zinc/67/56/03/532675603.db2.gz UZPFGSMPTGMHFU-ZIAGYGMSSA-N 1 2 390.242 2.003 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3F)C[C@H]21 ZINC000285371881 532675608 /nfs/dbraw/zinc/67/56/08/532675608.db2.gz UZPFGSMPTGMHFU-ZIAGYGMSSA-N 1 2 390.242 2.003 20 0 GEADLO Cc1cc(Br)c(CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)s1 ZINC000660856819 532677309 /nfs/dbraw/zinc/67/73/09/532677309.db2.gz XGUBGWSYZYWUDU-JTQLQIEISA-N 1 2 376.320 2.339 20 0 GEADLO Cc1cc(Br)c(CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)s1 ZINC000660856819 532677316 /nfs/dbraw/zinc/67/73/16/532677316.db2.gz XGUBGWSYZYWUDU-JTQLQIEISA-N 1 2 376.320 2.339 20 0 GEADLO Cc1cc(N2CCC[C@@H]([N@H+](C)Cc3n[nH]c(=O)o3)C2=O)ccc1Br ZINC000660845651 532677458 /nfs/dbraw/zinc/67/74/58/532677458.db2.gz SEROOJSXTBRJPM-CYBMUJFWSA-N 1 2 395.257 2.474 20 0 GEADLO Cc1cc(N2CCC[C@@H]([N@@H+](C)Cc3n[nH]c(=O)o3)C2=O)ccc1Br ZINC000660845651 532677464 /nfs/dbraw/zinc/67/74/64/532677464.db2.gz SEROOJSXTBRJPM-CYBMUJFWSA-N 1 2 395.257 2.474 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000660849319 532677622 /nfs/dbraw/zinc/67/76/22/532677622.db2.gz XHOQYIIBIQWICZ-CQSZACIVSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000660849319 532677626 /nfs/dbraw/zinc/67/76/26/532677626.db2.gz XHOQYIIBIQWICZ-CQSZACIVSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000264638347 532678473 /nfs/dbraw/zinc/67/84/73/532678473.db2.gz ULYMHXLUHDKHEV-BXUZGUMPSA-N 1 2 378.416 2.246 20 0 GEADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000264638347 532678477 /nfs/dbraw/zinc/67/84/77/532678477.db2.gz ULYMHXLUHDKHEV-BXUZGUMPSA-N 1 2 378.416 2.246 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000285442623 532679889 /nfs/dbraw/zinc/67/98/89/532679889.db2.gz XIFQVMKAJJUGLG-ZDUSSCGKSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000285442623 532679895 /nfs/dbraw/zinc/67/98/95/532679895.db2.gz XIFQVMKAJJUGLG-ZDUSSCGKSA-N 1 2 386.901 2.127 20 0 GEADLO C[C@H]1SCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@@H]1C ZINC000638094246 532679919 /nfs/dbraw/zinc/67/99/19/532679919.db2.gz GTNOUBIWWAPOSY-NXEZZACHSA-N 1 2 379.345 2.422 20 0 GEADLO C[C@H]1SCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@@H]1C ZINC000638094246 532679925 /nfs/dbraw/zinc/67/99/25/532679925.db2.gz GTNOUBIWWAPOSY-NXEZZACHSA-N 1 2 379.345 2.422 20 0 GEADLO O=C(NCc1cc2c(c(Br)c1)OCO2)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378085960 532680838 /nfs/dbraw/zinc/68/08/38/532680838.db2.gz IQYSZDNUZWXHQI-JTQLQIEISA-N 1 2 393.241 2.258 20 0 GEADLO O=C(NCc1cc2c(c(Br)c1)OCO2)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378085960 532680839 /nfs/dbraw/zinc/68/08/39/532680839.db2.gz IQYSZDNUZWXHQI-JTQLQIEISA-N 1 2 393.241 2.258 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285464488 532683419 /nfs/dbraw/zinc/68/34/19/532683419.db2.gz ZOCGTAYFABXLIE-GOSISDBHSA-N 1 2 397.313 2.289 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285464488 532683425 /nfs/dbraw/zinc/68/34/25/532683425.db2.gz ZOCGTAYFABXLIE-GOSISDBHSA-N 1 2 397.313 2.289 20 0 GEADLO NC(=O)c1csc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)n1 ZINC000664392631 532692010 /nfs/dbraw/zinc/69/20/10/532692010.db2.gz GYDRXXAPXWBLJS-UHFFFAOYSA-N 1 2 380.499 2.006 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(Br)c1 ZINC000378369468 532692695 /nfs/dbraw/zinc/69/26/95/532692695.db2.gz KXKYBSHKTHESDT-AWEZNQCLSA-N 1 2 391.269 2.276 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)s1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378521127 532696761 /nfs/dbraw/zinc/69/67/61/532696761.db2.gz YGJMBTQCFPRWAR-SECBINFHSA-N 1 2 383.271 2.327 20 0 GEADLO O=C(NCc1ccccc1Br)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603596013 532697228 /nfs/dbraw/zinc/69/72/28/532697228.db2.gz YHYBUSUBTCVYNF-UHFFFAOYSA-N 1 2 378.274 2.200 20 0 GEADLO O=C(Cn1cc(CC[NH+]2CCOCC2)nn1)Nc1ccc(Cl)cc1Cl ZINC000640764887 532697615 /nfs/dbraw/zinc/69/76/15/532697615.db2.gz YXGLMLAIIGFXQP-UHFFFAOYSA-N 1 2 384.267 2.098 20 0 GEADLO Cc1cccn2cc(CS(=O)(=O)C[C@H](O)COCc3cccs3)[nH+]c12 ZINC000299153292 532699036 /nfs/dbraw/zinc/69/90/36/532699036.db2.gz GVSJFCGBWBZOGR-OAHLLOKOSA-N 1 2 380.491 2.197 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000666691095 532701021 /nfs/dbraw/zinc/70/10/21/532701021.db2.gz VJTRNRITLQOACB-NSHDSACASA-N 1 2 380.246 2.213 20 0 GEADLO Cc1nn(C)c(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1Br ZINC000569661476 532702128 /nfs/dbraw/zinc/70/21/28/532702128.db2.gz VECQFIWZBRBHRY-UHFFFAOYSA-N 1 2 398.280 2.152 20 0 GEADLO COC[C@@](C)(O)C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000382544470 532702329 /nfs/dbraw/zinc/70/23/29/532702329.db2.gz CJJMXYAVLFDYDJ-LBPRGKRZSA-N 1 2 383.080 2.404 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000378264307 532687060 /nfs/dbraw/zinc/68/70/60/532687060.db2.gz CDOMJFOYLTYPBZ-GFCCVEGCSA-N 1 2 391.269 2.446 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC=C(C(F)(F)F)CC1 ZINC000378272597 532687401 /nfs/dbraw/zinc/68/74/01/532687401.db2.gz NLGXQYBYMHRIIK-OAHLLOKOSA-N 1 2 379.448 2.098 20 0 GEADLO Cc1cc(C)cc(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 ZINC000439289681 532687408 /nfs/dbraw/zinc/68/74/08/532687408.db2.gz ODZLLCAFXQXADP-UHFFFAOYSA-N 1 2 379.448 2.254 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000298950733 532687890 /nfs/dbraw/zinc/68/78/90/532687890.db2.gz CTOOJHJJLUNQSE-WFASDCNBSA-N 1 2 391.269 2.203 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000569137279 532689219 /nfs/dbraw/zinc/68/92/19/532689219.db2.gz FYRFDSHFJKAQJV-XHDPSFHLSA-N 1 2 391.269 2.273 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000569137279 532689224 /nfs/dbraw/zinc/68/92/24/532689224.db2.gz FYRFDSHFJKAQJV-XHDPSFHLSA-N 1 2 391.269 2.273 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000285532606 532689523 /nfs/dbraw/zinc/68/95/23/532689523.db2.gz SNGLYWODFUWXLY-CYBMUJFWSA-N 1 2 387.933 2.237 20 0 GEADLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccccc1S(C)(=O)=O ZINC000486496072 532689607 /nfs/dbraw/zinc/68/96/07/532689607.db2.gz HNWQCALRFKESPS-UHFFFAOYSA-N 1 2 375.372 2.121 20 0 GEADLO Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000378297019 532689699 /nfs/dbraw/zinc/68/96/99/532689699.db2.gz SKBXEKQHEJHEJJ-GFCCVEGCSA-N 1 2 391.269 2.446 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265264679 532690150 /nfs/dbraw/zinc/69/01/50/532690150.db2.gz WAUHKPWOLJOSDC-GHMZBOCLSA-N 1 2 394.324 2.321 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265264679 532690157 /nfs/dbraw/zinc/69/01/57/532690157.db2.gz WAUHKPWOLJOSDC-GHMZBOCLSA-N 1 2 394.324 2.321 20 0 GEADLO O=C(CCOC1CCOCC1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000439966974 532703962 /nfs/dbraw/zinc/70/39/62/532703962.db2.gz MLJIJAFIEGXUMR-UHFFFAOYSA-N 1 2 382.258 2.299 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285765583 532704601 /nfs/dbraw/zinc/70/46/01/532704601.db2.gz XOPNXVSQZHUPEG-KBPBESRZSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285765583 532704604 /nfs/dbraw/zinc/70/46/04/532704604.db2.gz XOPNXVSQZHUPEG-KBPBESRZSA-N 1 2 387.933 2.331 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cscc2Br)[C@@H](C)C1 ZINC000285776702 532705889 /nfs/dbraw/zinc/70/58/89/532705889.db2.gz JUFWBVZZBQBIFU-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cscc2Br)[C@@H](C)C1 ZINC000285776702 532705892 /nfs/dbraw/zinc/70/58/92/532705892.db2.gz JUFWBVZZBQBIFU-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO O=C(CSC(F)(F)F)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000299295075 532707108 /nfs/dbraw/zinc/70/71/08/532707108.db2.gz KXAAEWWGAFZTDG-UHFFFAOYSA-N 1 2 378.416 2.267 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000299302059 532707880 /nfs/dbraw/zinc/70/78/80/532707880.db2.gz KKNFCJUAGVESJH-NSHDSACASA-N 1 2 395.257 2.305 20 0 GEADLO CN(CC1=CCSC1)C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000668375755 532710505 /nfs/dbraw/zinc/71/05/05/532710505.db2.gz QJWQRRVTXTWPRF-INIZCTEOSA-N 1 2 381.929 2.191 20 0 GEADLO C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1cscn1 ZINC000668376091 532711215 /nfs/dbraw/zinc/71/12/15/532711215.db2.gz YGZBNYWZLAWQDD-ABAIWWIYSA-N 1 2 380.901 2.393 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000608045267 532711224 /nfs/dbraw/zinc/71/12/24/532711224.db2.gz RXPUDONKVSBQSE-OAHLLOKOSA-N 1 2 388.917 2.224 20 0 GEADLO Cc1nc(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)[nH]c(=O)c1C ZINC000538516602 532713184 /nfs/dbraw/zinc/71/31/84/532713184.db2.gz JCQAECNYWRYVKW-UHFFFAOYSA-N 1 2 378.523 2.297 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2sc(C)cc2OC(F)F)C[C@H]1C ZINC000538680014 532713984 /nfs/dbraw/zinc/71/39/84/532713984.db2.gz HTQYCGMKFMIIOC-SNVBAGLBSA-N 1 2 376.425 2.367 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2sc(C)cc2OC(F)F)C[C@H]1C ZINC000538680014 532713992 /nfs/dbraw/zinc/71/39/92/532713992.db2.gz HTQYCGMKFMIIOC-SNVBAGLBSA-N 1 2 376.425 2.367 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCc2c(Br)cccc2C1 ZINC000494189237 532714559 /nfs/dbraw/zinc/71/45/59/532714559.db2.gz PXDDBHFOAZPBJW-HNNXBMFYSA-N 1 2 394.313 2.380 20 0 GEADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCc2c(Br)cccc2C1 ZINC000494189237 532714564 /nfs/dbraw/zinc/71/45/64/532714564.db2.gz PXDDBHFOAZPBJW-HNNXBMFYSA-N 1 2 394.313 2.380 20 0 GEADLO O=C(C[N@@H+](CCO)Cc1cc(Br)cs1)NCc1cccnc1 ZINC000494280482 532715307 /nfs/dbraw/zinc/71/53/07/532715307.db2.gz VYHOLHKISYNRKR-UHFFFAOYSA-N 1 2 384.299 2.016 20 0 GEADLO O=C(C[N@H+](CCO)Cc1cc(Br)cs1)NCc1cccnc1 ZINC000494280482 532715314 /nfs/dbraw/zinc/71/53/14/532715314.db2.gz VYHOLHKISYNRKR-UHFFFAOYSA-N 1 2 384.299 2.016 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COc1cccc(I)c1 ZINC000494317649 532716984 /nfs/dbraw/zinc/71/69/84/532716984.db2.gz WVDQYGZJMHFPFZ-NSHDSACASA-N 1 2 385.205 2.071 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CCc2cncnc2C1 ZINC000497352330 532721326 /nfs/dbraw/zinc/72/13/26/532721326.db2.gz KOOIZCAPDGDTHI-UHFFFAOYSA-N 1 2 387.241 2.155 20 0 GEADLO CC[C@](C)([NH2+]CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)c1nccs1 ZINC000440703847 532722645 /nfs/dbraw/zinc/72/26/45/532722645.db2.gz JLKYDNIBORROSG-PBHICJAKSA-N 1 2 387.571 2.030 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)NCCCn2cc[nH+]c2)c1 ZINC000409531666 532724006 /nfs/dbraw/zinc/72/40/06/532724006.db2.gz XFNFSXOAEJVGTJ-UHFFFAOYSA-N 1 2 388.287 2.164 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000286005334 532724453 /nfs/dbraw/zinc/72/44/53/532724453.db2.gz YQAAYVUMGHULLS-XPKDYRNWSA-N 1 2 395.297 2.247 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000299552346 532726381 /nfs/dbraw/zinc/72/63/81/532726381.db2.gz VDPZMXALULQSMY-UHFFFAOYSA-N 1 2 384.933 2.347 20 0 GEADLO C[C@H](CNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)c1nccs1 ZINC000576194583 532726745 /nfs/dbraw/zinc/72/67/45/532726745.db2.gz JFLHHZMMWDHYBF-CYBMUJFWSA-N 1 2 381.523 2.012 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000286079350 532727522 /nfs/dbraw/zinc/72/75/22/532727522.db2.gz AEXVONUYLNWIAL-YPMHNXCESA-N 1 2 393.285 2.261 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000539384396 532729642 /nfs/dbraw/zinc/72/96/42/532729642.db2.gz PQCRAVUJGLLWQL-SNVBAGLBSA-N 1 2 399.257 2.303 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000539384396 532729644 /nfs/dbraw/zinc/72/96/44/532729644.db2.gz PQCRAVUJGLLWQL-SNVBAGLBSA-N 1 2 399.257 2.303 20 0 GEADLO O=C(CSc1n[nH]c(=S)s1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000266975857 532731895 /nfs/dbraw/zinc/73/18/95/532731895.db2.gz NSYGNJWIVQRQRV-UHFFFAOYSA-N 1 2 396.563 2.068 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCc1nc(-c2ccncc2)no1 ZINC000301140808 532742082 /nfs/dbraw/zinc/74/20/82/532742082.db2.gz BEXHGDRCIDUSEJ-UHFFFAOYSA-N 1 2 387.201 2.183 20 0 GEADLO COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)CC1(CS(C)(=O)=O)CC1 ZINC000502881533 532744116 /nfs/dbraw/zinc/74/41/16/532744116.db2.gz OCRAMKAWNPNSLS-UHFFFAOYSA-N 1 2 375.437 2.155 20 0 GEADLO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)CC1(CS(C)(=O)=O)CC1 ZINC000502881533 532744119 /nfs/dbraw/zinc/74/41/19/532744119.db2.gz OCRAMKAWNPNSLS-UHFFFAOYSA-N 1 2 375.437 2.155 20 0 GEADLO Cc1cc(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)nc[nH+]1 ZINC000301219896 532745029 /nfs/dbraw/zinc/74/50/29/532745029.db2.gz AOMRTUNJNIUUFW-UHFFFAOYSA-N 1 2 391.269 2.275 20 0 GEADLO CC[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000267610500 532746699 /nfs/dbraw/zinc/74/66/99/532746699.db2.gz OAOQOQOAYKRWFY-CHWSQXEVSA-N 1 2 375.922 2.187 20 0 GEADLO CSc1ccc(NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)nc1 ZINC000503426023 532746872 /nfs/dbraw/zinc/74/68/72/532746872.db2.gz KPEVVEGHWOSJOT-UHFFFAOYSA-N 1 2 379.507 2.391 20 0 GEADLO O=C(N[C@H](CO)c1ccc(Br)cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540914250 532747526 /nfs/dbraw/zinc/74/75/26/532747526.db2.gz UUQAWVUXDRMIBQ-MRXNPFEDSA-N 1 2 387.237 2.493 20 0 GEADLO CS[C@@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C1 ZINC000301289784 532747728 /nfs/dbraw/zinc/74/77/28/532747728.db2.gz OJMNKVJNFUEGMP-HUUCEWRRSA-N 1 2 384.571 2.104 20 0 GEADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000500679811 532733432 /nfs/dbraw/zinc/73/34/32/532733432.db2.gz NSTXLWFDENIAPE-AWEZNQCLSA-N 1 2 398.345 2.343 20 0 GEADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000500679811 532733436 /nfs/dbraw/zinc/73/34/36/532733436.db2.gz NSTXLWFDENIAPE-AWEZNQCLSA-N 1 2 398.345 2.343 20 0 GEADLO CC(C)n1cc(S(=O)(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC000442781550 532734292 /nfs/dbraw/zinc/73/42/92/532734292.db2.gz JEPSCWZOKPZDEM-UHFFFAOYSA-N 1 2 382.917 2.454 20 0 GEADLO CC(C)n1cc(S(=O)(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC000442781550 532734300 /nfs/dbraw/zinc/73/43/00/532734300.db2.gz JEPSCWZOKPZDEM-UHFFFAOYSA-N 1 2 382.917 2.454 20 0 GEADLO CS(=O)(=O)c1nnc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000286225667 532735528 /nfs/dbraw/zinc/73/55/28/532735528.db2.gz RBWSZBMRPAOSRP-WCQYABFASA-N 1 2 391.877 2.354 20 0 GEADLO CCOc1ccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)nc1 ZINC000674387489 532736579 /nfs/dbraw/zinc/73/65/79/532736579.db2.gz JILNCFVMGCQOAB-UHFFFAOYSA-N 1 2 381.523 2.485 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1)N1CCOCC1 ZINC000501129258 532737077 /nfs/dbraw/zinc/73/70/77/532737077.db2.gz HDZDEQDSGDBSFI-OAHLLOKOSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1)N1CCOCC1 ZINC000501129258 532737084 /nfs/dbraw/zinc/73/70/84/532737084.db2.gz HDZDEQDSGDBSFI-OAHLLOKOSA-N 1 2 376.881 2.106 20 0 GEADLO Brc1ccc(C[NH+]2CCN(c3ncnc4n[nH]cc43)CC2)s1 ZINC000301063809 532738239 /nfs/dbraw/zinc/73/82/39/532738239.db2.gz CUWFEICJRYETFZ-UHFFFAOYSA-N 1 2 379.287 2.499 20 0 GEADLO O=C(CCCc1cccc(Br)c1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614507426 532738835 /nfs/dbraw/zinc/73/88/35/532738835.db2.gz OMFRRVGOBBXHRX-QGZVFWFLSA-N 1 2 380.330 2.278 20 0 GEADLO O=C(CCCc1cccc(Br)c1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614507426 532738839 /nfs/dbraw/zinc/73/88/39/532738839.db2.gz OMFRRVGOBBXHRX-QGZVFWFLSA-N 1 2 380.330 2.278 20 0 GEADLO Cc1ccc(CCC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)c(Br)c1 ZINC000614504466 532738938 /nfs/dbraw/zinc/73/89/38/532738938.db2.gz WIQPNVJNVZJVDH-INIZCTEOSA-N 1 2 380.330 2.196 20 0 GEADLO Cc1ccc(CCC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)c(Br)c1 ZINC000614504466 532738942 /nfs/dbraw/zinc/73/89/42/532738942.db2.gz WIQPNVJNVZJVDH-INIZCTEOSA-N 1 2 380.330 2.196 20 0 GEADLO O=C(CCCc1cccc(Br)c1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614507422 532739144 /nfs/dbraw/zinc/73/91/44/532739144.db2.gz OMFRRVGOBBXHRX-KRWDZBQOSA-N 1 2 380.330 2.278 20 0 GEADLO O=C(CCCc1cccc(Br)c1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614507422 532739151 /nfs/dbraw/zinc/73/91/51/532739151.db2.gz OMFRRVGOBBXHRX-KRWDZBQOSA-N 1 2 380.330 2.278 20 0 GEADLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000301070779 532739398 /nfs/dbraw/zinc/73/93/98/532739398.db2.gz GVCXNIUWMWLEGP-ZDUSSCGKSA-N 1 2 381.318 2.413 20 0 GEADLO O=C(NC[C@H]1CN2CC[N@@H+]1CCC2)c1cc(Br)cc2cccnc21 ZINC000614503539 532739549 /nfs/dbraw/zinc/73/95/49/532739549.db2.gz PZVMJZBXAUDCAW-HNNXBMFYSA-N 1 2 389.297 2.117 20 0 GEADLO O=C(NC[C@H]1CN2CC[N@H+]1CCC2)c1cc(Br)cc2cccnc21 ZINC000614503539 532739552 /nfs/dbraw/zinc/73/95/52/532739552.db2.gz PZVMJZBXAUDCAW-HNNXBMFYSA-N 1 2 389.297 2.117 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000445795061 532754098 /nfs/dbraw/zinc/75/40/98/532754098.db2.gz NCCKGXSODDSBIF-UHFFFAOYSA-N 1 2 375.841 2.452 20 0 GEADLO NC(=O)c1ncc(Br)cc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000541539355 532755257 /nfs/dbraw/zinc/75/52/57/532755257.db2.gz LLTVKNQFTHZTLJ-UHFFFAOYSA-N 1 2 376.258 2.419 20 0 GEADLO CC(C)[C@H](Nc1[nH+]cnc2c1c(Br)nn2C)C(=O)N1CCCC1 ZINC000301613575 532756579 /nfs/dbraw/zinc/75/65/79/532756579.db2.gz AEZJYUBLSUXHGM-NSHDSACASA-N 1 2 381.278 2.185 20 0 GEADLO Brc1ccc2[nH]c(NCc3cn(Cc4cccnc4)nn3)[nH+]c2c1 ZINC000446954334 532756712 /nfs/dbraw/zinc/75/67/12/532756712.db2.gz NJDYQMAZZWUMJP-UHFFFAOYSA-N 1 2 384.241 2.394 20 0 GEADLO Brc1ccc2[nH+]c(NCc3cn(Cc4cccnc4)nn3)[nH]c2c1 ZINC000446954334 532756717 /nfs/dbraw/zinc/75/67/17/532756717.db2.gz NJDYQMAZZWUMJP-UHFFFAOYSA-N 1 2 384.241 2.394 20 0 GEADLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2cccc(I)c2)o1 ZINC000541685530 532758599 /nfs/dbraw/zinc/75/85/99/532758599.db2.gz ACMLKNCCEAMQDV-MRVPVSSYSA-N 1 2 386.193 2.272 20 0 GEADLO Cc1ccc(S(=O)(=O)NCc2cn3cc(Br)ccc3[nH+]2)cn1 ZINC000447785040 532758755 /nfs/dbraw/zinc/75/87/55/532758755.db2.gz GPZYTROSTWRGEL-UHFFFAOYSA-N 1 2 381.255 2.279 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc(F)c1Br ZINC000411375026 532759121 /nfs/dbraw/zinc/75/91/21/532759121.db2.gz FNMLCPJHHVRNDZ-JTQLQIEISA-N 1 2 395.232 2.163 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)Cc2c(F)cccc2Cl)C1 ZINC000451037316 532761181 /nfs/dbraw/zinc/76/11/81/532761181.db2.gz OHDHPFGVWIQWGY-ZDUSSCGKSA-N 1 2 378.897 2.255 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)Cc2c(F)cccc2Cl)C1 ZINC000451037316 532761182 /nfs/dbraw/zinc/76/11/82/532761182.db2.gz OHDHPFGVWIQWGY-ZDUSSCGKSA-N 1 2 378.897 2.255 20 0 GEADLO COc1nc(N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)ncc1Br ZINC000301868135 532761807 /nfs/dbraw/zinc/76/18/07/532761807.db2.gz HTUUBCYONVNXRO-UHFFFAOYSA-N 1 2 389.257 2.451 20 0 GEADLO CC[N@@H+]1CCN(CCS(=O)(=O)c2cccc(Br)c2)[C@H](C)C1 ZINC000286465848 532748918 /nfs/dbraw/zinc/74/89/18/532748918.db2.gz KPCFXKMXXNGHJB-CYBMUJFWSA-N 1 2 375.332 2.249 20 0 GEADLO CC[N@H+]1CCN(CCS(=O)(=O)c2cccc(Br)c2)[C@H](C)C1 ZINC000286465848 532748921 /nfs/dbraw/zinc/74/89/21/532748921.db2.gz KPCFXKMXXNGHJB-CYBMUJFWSA-N 1 2 375.332 2.249 20 0 GEADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000616162544 532750687 /nfs/dbraw/zinc/75/06/87/532750687.db2.gz JMUQWTABQIFEOL-GFCCVEGCSA-N 1 2 394.269 2.243 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000616162544 532750688 /nfs/dbraw/zinc/75/06/88/532750688.db2.gz JMUQWTABQIFEOL-GFCCVEGCSA-N 1 2 394.269 2.243 20 0 GEADLO CN(C)c1cc(NC(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)[nH+]cc1Br ZINC000580995540 532751734 /nfs/dbraw/zinc/75/17/34/532751734.db2.gz RVLOKZCRIZAOFI-NEPJUHHUSA-N 1 2 396.289 2.185 20 0 GEADLO CSc1cc(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)ccc1Cl ZINC000411479729 532763193 /nfs/dbraw/zinc/76/31/93/532763193.db2.gz WHRGUMUTABTFNT-GFCCVEGCSA-N 1 2 385.917 2.180 20 0 GEADLO O=C(CCNc1ccc(Br)cn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000301520690 532753513 /nfs/dbraw/zinc/75/35/13/532753513.db2.gz FNUIKTWPDMKVMV-UHFFFAOYSA-N 1 2 390.285 2.390 20 0 GEADLO Nc1[nH+]cnc(NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1Cl ZINC000302856513 532774845 /nfs/dbraw/zinc/77/48/45/532774845.db2.gz SDQFCOLEHLZOFM-UHFFFAOYSA-N 1 2 396.778 2.497 20 0 GEADLO Nc1nc[nH+]c(NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1Cl ZINC000302856513 532774849 /nfs/dbraw/zinc/77/48/49/532774849.db2.gz SDQFCOLEHLZOFM-UHFFFAOYSA-N 1 2 396.778 2.497 20 0 GEADLO CC[C@H]([NH2+]CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)c1nc(C)cs1 ZINC000542556839 532775581 /nfs/dbraw/zinc/77/55/81/532775581.db2.gz XZLWIIVEURTZFF-CABCVRRESA-N 1 2 387.571 2.164 20 0 GEADLO CCOCCS(=O)(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542054254 532763666 /nfs/dbraw/zinc/76/36/66/532763666.db2.gz DMIVWVNJHZKMTE-GDBMZVCRSA-N 1 2 380.432 2.195 20 0 GEADLO CCOCCS(=O)(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542054254 532763668 /nfs/dbraw/zinc/76/36/68/532763668.db2.gz DMIVWVNJHZKMTE-GDBMZVCRSA-N 1 2 380.432 2.195 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cccc(I)c2C)CC1 ZINC000268476775 532765933 /nfs/dbraw/zinc/76/59/33/532765933.db2.gz IJOIETXYHQPBBM-UHFFFAOYSA-N 1 2 388.249 2.004 20 0 GEADLO C[C@H]1CN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC[N@@H+]1CCO ZINC000302346148 532769592 /nfs/dbraw/zinc/76/95/92/532769592.db2.gz AWGSNXRJLPMGDX-LBPRGKRZSA-N 1 2 383.279 2.042 20 0 GEADLO C[C@H]1CN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC[N@H+]1CCO ZINC000302346148 532769596 /nfs/dbraw/zinc/76/95/96/532769596.db2.gz AWGSNXRJLPMGDX-LBPRGKRZSA-N 1 2 383.279 2.042 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000509434564 532769653 /nfs/dbraw/zinc/76/96/53/532769653.db2.gz FEEDXWGUPMDFSY-STQMWFEESA-N 1 2 375.332 2.247 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000509434564 532769656 /nfs/dbraw/zinc/76/96/56/532769656.db2.gz FEEDXWGUPMDFSY-STQMWFEESA-N 1 2 375.332 2.247 20 0 GEADLO COC(=O)N1CCC([C@@H](C)Nc2[nH+]cnc3c2c(Br)nn3C)CC1 ZINC000302478571 532769765 /nfs/dbraw/zinc/76/97/65/532769765.db2.gz QYMBDHGKTHWANQ-SECBINFHSA-N 1 2 397.277 2.405 20 0 GEADLO CN1CCN(c2cc(NCc3cc(F)cc(Br)c3)[nH+]cn2)CC1=O ZINC000302604101 532770837 /nfs/dbraw/zinc/77/08/37/532770837.db2.gz ZKGLMHFKJBORBR-UHFFFAOYSA-N 1 2 394.248 2.269 20 0 GEADLO CN1CCN(c2cc(NCc3cc(F)cc(Br)c3)nc[nH+]2)CC1=O ZINC000302604101 532770843 /nfs/dbraw/zinc/77/08/43/532770843.db2.gz ZKGLMHFKJBORBR-UHFFFAOYSA-N 1 2 394.248 2.269 20 0 GEADLO Cn1ncc2c1nc(NCCC(=O)Nc1ccc(Br)cc1)[nH+]c2N ZINC000302586514 532771678 /nfs/dbraw/zinc/77/16/78/532771678.db2.gz VJYCEEOODVCBAT-UHFFFAOYSA-N 1 2 390.245 2.149 20 0 GEADLO Cc1ccc(C[C@@H](CO)Nc2[nH+]cnc3c2c(Br)nn3C)cc1 ZINC000302612378 532771736 /nfs/dbraw/zinc/77/17/36/532771736.db2.gz CBBNIPYKTZNIII-LBPRGKRZSA-N 1 2 376.258 2.450 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2cscc2Br)C1 ZINC000286878300 532773880 /nfs/dbraw/zinc/77/38/80/532773880.db2.gz WKHHQLOGUYFFTB-JTQLQIEISA-N 1 2 396.314 2.229 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2cscc2Br)C1 ZINC000286878300 532773883 /nfs/dbraw/zinc/77/38/83/532773883.db2.gz WKHHQLOGUYFFTB-JTQLQIEISA-N 1 2 396.314 2.229 20 0 GEADLO OC[C@@H]([NH2+]Cc1noc(Cc2ccc(Br)cc2)n1)[C@@H]1CCCOC1 ZINC000411982532 532782414 /nfs/dbraw/zinc/78/24/14/532782414.db2.gz BLAGYQMPWXWCFZ-UKRRQHHQSA-N 1 2 396.285 2.300 20 0 GEADLO CN1CC[N@H+](C)C[C@@H]1c1noc(Cc2ccccc2I)n1 ZINC000545795050 532784131 /nfs/dbraw/zinc/78/41/31/532784131.db2.gz QOOYVCXVKKMCIN-CYBMUJFWSA-N 1 2 398.248 2.183 20 0 GEADLO CN1CC[N@@H+](C)C[C@@H]1c1noc(Cc2ccccc2I)n1 ZINC000545795050 532784135 /nfs/dbraw/zinc/78/41/35/532784135.db2.gz QOOYVCXVKKMCIN-CYBMUJFWSA-N 1 2 398.248 2.183 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)N(C)c2nc3ccccc3s2)C1 ZINC000412065803 532784549 /nfs/dbraw/zinc/78/45/49/532784549.db2.gz DZCPECBGXJEJNU-GFCCVEGCSA-N 1 2 379.507 2.097 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)N(C)c2nc3ccccc3s2)C1 ZINC000412065803 532784552 /nfs/dbraw/zinc/78/45/52/532784552.db2.gz DZCPECBGXJEJNU-GFCCVEGCSA-N 1 2 379.507 2.097 20 0 GEADLO CC[C@@H](O)C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)CC1 ZINC000287173107 532784666 /nfs/dbraw/zinc/78/46/66/532784666.db2.gz GIBXHEGZSBADIX-GFCCVEGCSA-N 1 2 380.432 2.002 20 0 GEADLO CCCCCS(=O)(=O)CC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457086974 532785306 /nfs/dbraw/zinc/78/53/06/532785306.db2.gz PFFZZZBJOBCNRF-UHFFFAOYSA-N 1 2 386.480 2.467 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000546801788 532785765 /nfs/dbraw/zinc/78/57/65/532785765.db2.gz QVNHCMXIWLUQQN-UHFFFAOYSA-N 1 2 385.283 2.379 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000546801788 532785769 /nfs/dbraw/zinc/78/57/69/532785769.db2.gz QVNHCMXIWLUQQN-UHFFFAOYSA-N 1 2 385.283 2.379 20 0 GEADLO CC(C)(C(=O)NCc1nc2c(cccc2Br)[nH]1)[NH+]1CCOCC1 ZINC000457072315 532785910 /nfs/dbraw/zinc/78/59/10/532785910.db2.gz XIQXIUZOCKRLRJ-UHFFFAOYSA-N 1 2 381.274 2.052 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412103091 532785981 /nfs/dbraw/zinc/78/59/81/532785981.db2.gz KTMCCMGMWSMVOV-BFVZDQMLSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412103091 532785985 /nfs/dbraw/zinc/78/59/85/532785985.db2.gz KTMCCMGMWSMVOV-BFVZDQMLSA-N 1 2 380.794 2.361 20 0 GEADLO Cc1nc(N2CCN(C(=O)C(=O)c3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000546818121 532786006 /nfs/dbraw/zinc/78/60/06/532786006.db2.gz QVCOKWVNEMQZSO-UHFFFAOYSA-N 1 2 389.253 2.079 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)C1 ZINC000412607239 532796756 /nfs/dbraw/zinc/79/67/56/532796756.db2.gz YOVXTAQPAIOJCN-CYBMUJFWSA-N 1 2 382.873 2.430 20 0 GEADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CSCc1cc(-c2cccs2)on1 ZINC000457105237 532786460 /nfs/dbraw/zinc/78/64/60/532786460.db2.gz DJUCBPKUFGCPOL-CYBMUJFWSA-N 1 2 381.523 2.161 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CSCc1cc(-c2cccs2)on1 ZINC000457105237 532786463 /nfs/dbraw/zinc/78/64/63/532786463.db2.gz DJUCBPKUFGCPOL-CYBMUJFWSA-N 1 2 381.523 2.161 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)C1 ZINC000412607239 532796760 /nfs/dbraw/zinc/79/67/60/532796760.db2.gz YOVXTAQPAIOJCN-CYBMUJFWSA-N 1 2 382.873 2.430 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cc(Br)ccc2C)C1 ZINC000412362264 532789290 /nfs/dbraw/zinc/78/92/90/532789290.db2.gz UWCHZWLHLZIBOU-AWEZNQCLSA-N 1 2 397.313 2.301 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cc2cc(Br)ccc2C)C1 ZINC000412362264 532789292 /nfs/dbraw/zinc/78/92/92/532789292.db2.gz UWCHZWLHLZIBOU-AWEZNQCLSA-N 1 2 397.313 2.301 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000287280262 532789800 /nfs/dbraw/zinc/78/98/00/532789800.db2.gz RMTPQQGGWFXGEL-CQSZACIVSA-N 1 2 392.301 2.365 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000287280262 532789801 /nfs/dbraw/zinc/78/98/01/532789801.db2.gz RMTPQQGGWFXGEL-CQSZACIVSA-N 1 2 392.301 2.365 20 0 GEADLO C[NH+](C)Cc1csc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)n1 ZINC000457301802 532790115 /nfs/dbraw/zinc/79/01/15/532790115.db2.gz YTBRCZKNWMIIHK-CQSZACIVSA-N 1 2 376.507 2.359 20 0 GEADLO CC[C@H]1[C@H](CO)CCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000457929381 532791183 /nfs/dbraw/zinc/79/11/83/532791183.db2.gz ADKGGWNWBTTZRM-FZMZJTMJSA-N 1 2 381.274 2.399 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCCc2cccc(Br)c2)CCO1 ZINC000458191103 532792357 /nfs/dbraw/zinc/79/23/57/532792357.db2.gz YSJHBKOHHBFWKV-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCCc2cccc(Br)c2)CCO1 ZINC000458191103 532792360 /nfs/dbraw/zinc/79/23/60/532792360.db2.gz YSJHBKOHHBFWKV-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO C[C@H](CNc1c(Br)cccc1S(C)(=O)=O)C[NH+]1CCOCC1 ZINC000287372247 532792598 /nfs/dbraw/zinc/79/25/98/532792598.db2.gz QQJBLWDPBAJODH-GFCCVEGCSA-N 1 2 391.331 2.233 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000270170045 532795184 /nfs/dbraw/zinc/79/51/84/532795184.db2.gz LACUEWOXQDJHPA-CQSZACIVSA-N 1 2 376.881 2.106 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000287073637 532781793 /nfs/dbraw/zinc/78/17/93/532781793.db2.gz VCABYJWRSXKFSF-CQSZACIVSA-N 1 2 379.295 2.265 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000287073637 532781797 /nfs/dbraw/zinc/78/17/97/532781797.db2.gz VCABYJWRSXKFSF-CQSZACIVSA-N 1 2 379.295 2.265 20 0 GEADLO O=S(=O)(c1c(Cl)ccc(F)c1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000287671867 532805788 /nfs/dbraw/zinc/80/57/88/532805788.db2.gz DFPSFOLBACBDEQ-UHFFFAOYSA-N 1 2 380.844 2.104 20 0 GEADLO C[C@H]1[C@@H](CO)CCCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000413150867 532807442 /nfs/dbraw/zinc/80/74/42/532807442.db2.gz FIOQMMCFTUPKRI-NWDGAFQWSA-N 1 2 381.274 2.399 20 0 GEADLO COCCOc1c(Cl)cc(NC(=O)NCC[NH+]2CCOCC2)cc1Cl ZINC000271557511 532808979 /nfs/dbraw/zinc/80/89/79/532808979.db2.gz LXGMJAUXVHLJNV-UHFFFAOYSA-N 1 2 392.283 2.472 20 0 GEADLO C[C@H](O)CNc1cc(N2CCN(c3cccc(Br)c3)CC2)nc[nH+]1 ZINC000413293993 532809465 /nfs/dbraw/zinc/80/94/65/532809465.db2.gz OMMZLWZPLKYMAT-ZDUSSCGKSA-N 1 2 392.301 2.358 20 0 GEADLO C[C@H](O)CNc1cc(N2CCN(c3cccc(Br)c3)CC2)[nH+]cn1 ZINC000413293993 532809468 /nfs/dbraw/zinc/80/94/68/532809468.db2.gz OMMZLWZPLKYMAT-ZDUSSCGKSA-N 1 2 392.301 2.358 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCCc2cccs2)CC1 ZINC000555721535 532809611 /nfs/dbraw/zinc/80/96/11/532809611.db2.gz AVKJXCOAHAMOOU-CQSZACIVSA-N 1 2 377.535 2.374 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@](F)(CO)C3)[nH+]c12 ZINC000287810081 532810464 /nfs/dbraw/zinc/81/04/64/532810464.db2.gz AYYRADYJKLOBEF-MRXNPFEDSA-N 1 2 399.264 2.411 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](Cc3nc(-c4cccc(Br)c4)no3)C[C@H]12 ZINC000328868210 532799058 /nfs/dbraw/zinc/79/90/58/532799058.db2.gz CKGDOCXORZCIBC-LLVKDONJSA-N 1 2 392.213 2.075 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](Cc3nc(-c4cccc(Br)c4)no3)C[C@H]12 ZINC000328868210 532799062 /nfs/dbraw/zinc/79/90/62/532799062.db2.gz CKGDOCXORZCIBC-LLVKDONJSA-N 1 2 392.213 2.075 20 0 GEADLO CCn1cncc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328865517 532799404 /nfs/dbraw/zinc/79/94/04/532799404.db2.gz WLAGUHCLRYVHOJ-GDBMZVCRSA-N 1 2 386.880 2.419 20 0 GEADLO CCn1cncc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328865517 532799408 /nfs/dbraw/zinc/79/94/08/532799408.db2.gz WLAGUHCLRYVHOJ-GDBMZVCRSA-N 1 2 386.880 2.419 20 0 GEADLO CCOc1cc(C[NH+]2CCC(S(=O)(=O)NC)CC2)cc(Cl)c1OC ZINC000271195809 532804686 /nfs/dbraw/zinc/80/46/86/532804686.db2.gz RLGBWQLFUKBMFC-UHFFFAOYSA-N 1 2 376.906 2.261 20 0 GEADLO CCS(=O)(=O)CCCNC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000413578158 532812781 /nfs/dbraw/zinc/81/27/81/532812781.db2.gz XZBAXTHBYXBLSF-MRXNPFEDSA-N 1 2 387.571 2.135 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C[C@H]21 ZINC000329925476 532812987 /nfs/dbraw/zinc/81/29/87/532812987.db2.gz JWHAZFHXGHJASM-NFAWXSAZSA-N 1 2 381.885 2.334 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C[C@H]21 ZINC000329925476 532812991 /nfs/dbraw/zinc/81/29/91/532812991.db2.gz JWHAZFHXGHJASM-NFAWXSAZSA-N 1 2 381.885 2.334 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)sc1C ZINC000329822672 532812258 /nfs/dbraw/zinc/81/22/58/532812258.db2.gz HLEMAXOHWGNWRP-ZDUSSCGKSA-N 1 2 382.511 2.063 20 0 GEADLO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000414064062 532818675 /nfs/dbraw/zinc/81/86/75/532818675.db2.gz FIFSTJZCULKYGY-GHMZBOCLSA-N 1 2 383.495 2.250 20 0 GEADLO O=S(=O)(c1c(F)cccc1OC(F)(F)F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000288126270 532818035 /nfs/dbraw/zinc/81/80/35/532818035.db2.gz MLMHKGQVMPSXTE-LLVKDONJSA-N 1 2 380.363 2.359 20 0 GEADLO CC[N@H+](Cc1ccccc1Br)CC1(O)CCS(=O)(=O)CC1 ZINC000330552679 532821499 /nfs/dbraw/zinc/82/14/99/532821499.db2.gz CZXRRUFKNAJAOO-UHFFFAOYSA-N 1 2 376.316 2.211 20 0 GEADLO CC[N@@H+](Cc1ccccc1Br)CC1(O)CCS(=O)(=O)CC1 ZINC000330552679 532821501 /nfs/dbraw/zinc/82/15/01/532821501.db2.gz CZXRRUFKNAJAOO-UHFFFAOYSA-N 1 2 376.316 2.211 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CCCC(=O)N(C)C)[nH+]c12 ZINC000273301128 532822526 /nfs/dbraw/zinc/82/25/26/532822526.db2.gz BJZUZHZCYYHDMV-UHFFFAOYSA-N 1 2 395.301 2.322 20 0 GEADLO CSCC[C@@H](O)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273437648 532824248 /nfs/dbraw/zinc/82/42/48/532824248.db2.gz XOPVBOUWOVMRQR-CYBMUJFWSA-N 1 2 386.315 2.178 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3CCC[C@H]3O)[nH+]c12 ZINC000273577404 532827167 /nfs/dbraw/zinc/82/71/67/532827167.db2.gz NAAQXRJZRTYZRP-SWLSCSKDSA-N 1 2 395.301 2.408 20 0 GEADLO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000330806345 532827799 /nfs/dbraw/zinc/82/77/99/532827799.db2.gz MFEPZQQQYULSED-ZENOOKHLSA-N 1 2 375.485 2.380 20 0 GEADLO CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc(C[NH+](C)C)cs2)c1 ZINC000414454019 532828231 /nfs/dbraw/zinc/82/82/31/532828231.db2.gz FGFDQPMAVZLZDP-UHFFFAOYSA-N 1 2 383.495 2.111 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000414455521 532828302 /nfs/dbraw/zinc/82/83/02/532828302.db2.gz AXJNKIFBFCHMRD-NSHDSACASA-N 1 2 388.287 2.269 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000414468525 532829496 /nfs/dbraw/zinc/82/94/96/532829496.db2.gz KGVLDQNQFYEJMA-LLVKDONJSA-N 1 2 388.287 2.269 20 0 GEADLO OC[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2)CC[C@@H]1O ZINC000414559930 532831921 /nfs/dbraw/zinc/83/19/21/532831921.db2.gz PZFAZLUHDRKJTE-GWCFXTLKSA-N 1 2 379.092 2.387 20 0 GEADLO OC[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2)CC[C@@H]1O ZINC000414559930 532831923 /nfs/dbraw/zinc/83/19/23/532831923.db2.gz PZFAZLUHDRKJTE-GWCFXTLKSA-N 1 2 379.092 2.387 20 0 GEADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](C)C(=O)N(C)C)ccc1Br ZINC000331166619 532834433 /nfs/dbraw/zinc/83/44/33/532834433.db2.gz HZHGRNFWWMNYAB-XJKSGUPXSA-N 1 2 396.329 2.487 20 0 GEADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)C(=O)N(C)C)ccc1Br ZINC000331166619 532834435 /nfs/dbraw/zinc/83/44/35/532834435.db2.gz HZHGRNFWWMNYAB-XJKSGUPXSA-N 1 2 396.329 2.487 20 0 GEADLO CCC(=O)N1CC[C@@H](C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000273789413 532834493 /nfs/dbraw/zinc/83/44/93/532834493.db2.gz BMEXCTXLQWZHCG-GFCCVEGCSA-N 1 2 393.285 2.280 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@@H]1C ZINC000331231817 532836381 /nfs/dbraw/zinc/83/63/81/532836381.db2.gz QXAVUDIJPQIMNG-UWVGGRQHSA-N 1 2 385.288 2.208 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@@H]1C ZINC000331231817 532836385 /nfs/dbraw/zinc/83/63/85/532836385.db2.gz QXAVUDIJPQIMNG-UWVGGRQHSA-N 1 2 385.288 2.208 20 0 GEADLO CS[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C[C@H]1[NH+](C)C ZINC000331320693 532837610 /nfs/dbraw/zinc/83/76/10/532837610.db2.gz KPZFUEGJRMKEKT-ZYHUDNBSSA-N 1 2 384.445 2.077 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N[C@H]1CS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000273955655 532838307 /nfs/dbraw/zinc/83/83/07/532838307.db2.gz FXRSHPYMGVXOIA-LSDHHAIUSA-N 1 2 379.507 2.179 20 0 GEADLO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000328627107 206234689 /nfs/dbraw/zinc/23/46/89/206234689.db2.gz MIXAPGBZOBMYJB-WBVHZDCISA-N 1 2 395.529 2.088 20 0 GEADLO COC(=O)c1ccnc(N2CCC[N@@H+]([C@@H](C(=O)OC)c3ccccc3)CC2)c1 ZINC000359872738 206266042 /nfs/dbraw/zinc/26/60/42/206266042.db2.gz PPYHCYCIOLHTHQ-LJQANCHMSA-N 1 2 383.448 2.295 20 0 GEADLO COC(=O)c1ccnc(N2CCC[N@H+]([C@@H](C(=O)OC)c3ccccc3)CC2)c1 ZINC000359872738 206266045 /nfs/dbraw/zinc/26/60/45/206266045.db2.gz PPYHCYCIOLHTHQ-LJQANCHMSA-N 1 2 383.448 2.295 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)CNC(=O)c1ccccc1OC(F)F ZINC000359896846 206267291 /nfs/dbraw/zinc/26/72/91/206267291.db2.gz JWUOMISTDUTAON-CYBMUJFWSA-N 1 2 378.379 2.115 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000359877085 206268182 /nfs/dbraw/zinc/26/81/82/206268182.db2.gz VXUMYYUGHQPHBO-CJNGLKHVSA-N 1 2 380.851 2.074 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000359877085 206268186 /nfs/dbraw/zinc/26/81/86/206268186.db2.gz VXUMYYUGHQPHBO-CJNGLKHVSA-N 1 2 380.851 2.074 20 0 GEADLO CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000359939163 206272346 /nfs/dbraw/zinc/27/23/46/206272346.db2.gz XRIFAXDSOCRMPX-UHFFFAOYSA-N 1 2 397.410 2.449 20 0 GEADLO COc1cccc([C@H](NC(=O)NC[C@H](O)Cc2ccccc2)c2[nH+]ccn2C)c1 ZINC000359926513 206270233 /nfs/dbraw/zinc/27/02/33/206270233.db2.gz HDBJVEOSIMAADI-QUCCMNQESA-N 1 2 394.475 2.421 20 0 GEADLO O=C(CCn1cc(Br)ccc1=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331986462 532847660 /nfs/dbraw/zinc/84/76/60/532847660.db2.gz VMIQLRHQEPZLLL-UHFFFAOYSA-N 1 2 379.258 2.130 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC(C)(O)CC3)[nH+]c12 ZINC000274279669 532846996 /nfs/dbraw/zinc/84/69/96/532846996.db2.gz YLDFKPWPZPTMMX-UHFFFAOYSA-N 1 2 381.274 2.462 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000332088872 532849144 /nfs/dbraw/zinc/84/91/44/532849144.db2.gz UHLOEDANSGMFKD-SNVBAGLBSA-N 1 2 388.262 2.500 20 0 GEADLO C[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000332187841 532849481 /nfs/dbraw/zinc/84/94/81/532849481.db2.gz OYLNIGYVJSGBNH-IAQYHMDHSA-N 1 2 391.320 2.465 20 0 GEADLO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000332187841 532849483 /nfs/dbraw/zinc/84/94/83/532849483.db2.gz OYLNIGYVJSGBNH-IAQYHMDHSA-N 1 2 391.320 2.465 20 0 GEADLO O=C(c1ccc(Br)cc1Cl)N1CC[NH+](CCn2cncn2)CC1 ZINC000332277043 532851437 /nfs/dbraw/zinc/85/14/37/532851437.db2.gz KFNZOQNUJVXYBS-UHFFFAOYSA-N 1 2 398.692 2.152 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H](C)C[C@@H](O)C3)[nH+]c12 ZINC000332366895 532853199 /nfs/dbraw/zinc/85/31/99/532853199.db2.gz YBEXMITZIBKDTJ-QMTHXVAHSA-N 1 2 381.274 2.318 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000289437749 532854687 /nfs/dbraw/zinc/85/46/87/532854687.db2.gz LOVXJTVJZFRXRA-UHFFFAOYSA-N 1 2 388.917 2.405 20 0 GEADLO Cc1cc(Br)ccc1CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000332488292 532856208 /nfs/dbraw/zinc/85/62/08/532856208.db2.gz UFBBHWDJEDDSLL-UHFFFAOYSA-N 1 2 377.286 2.368 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000274824481 532857326 /nfs/dbraw/zinc/85/73/26/532857326.db2.gz KNWJUKYYELPXDK-DOMZBBRYSA-N 1 2 386.265 2.158 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000274824481 532857330 /nfs/dbraw/zinc/85/73/30/532857330.db2.gz KNWJUKYYELPXDK-DOMZBBRYSA-N 1 2 386.265 2.158 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289552485 532858422 /nfs/dbraw/zinc/85/84/22/532858422.db2.gz XGQWGTNVMDAQEU-MNOVXSKESA-N 1 2 394.273 2.067 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289552485 532858425 /nfs/dbraw/zinc/85/84/25/532858425.db2.gz XGQWGTNVMDAQEU-MNOVXSKESA-N 1 2 394.273 2.067 20 0 GEADLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1nc(-c3cc(Br)cs3)no1)C2 ZINC000274889799 532859053 /nfs/dbraw/zinc/85/90/53/532859053.db2.gz POPQSOLGCABEGM-UHFFFAOYSA-N 1 2 394.254 2.202 20 0 GEADLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1nc(-c3cc(Br)cs3)no1)C2 ZINC000274889799 532859054 /nfs/dbraw/zinc/85/90/54/532859054.db2.gz POPQSOLGCABEGM-UHFFFAOYSA-N 1 2 394.254 2.202 20 0 GEADLO Cc1cc(Br)cc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1 ZINC000274949454 532860305 /nfs/dbraw/zinc/86/03/05/532860305.db2.gz DABGCGNUFQWDAH-UHFFFAOYSA-N 1 2 383.290 2.171 20 0 GEADLO Cc1nc(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)sc1Br ZINC000333059445 532863354 /nfs/dbraw/zinc/86/33/54/532863354.db2.gz IDJQEVLNSRYRSP-UHFFFAOYSA-N 1 2 382.349 2.367 20 0 GEADLO Cc1nc(S(=O)(=O)NCC[N@H+]2CCCC2(C)C)sc1Br ZINC000333059445 532863357 /nfs/dbraw/zinc/86/33/57/532863357.db2.gz IDJQEVLNSRYRSP-UHFFFAOYSA-N 1 2 382.349 2.367 20 0 GEADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000333058861 532863423 /nfs/dbraw/zinc/86/34/23/532863423.db2.gz MRBDDHYLXFNSJB-OIISXLGYSA-N 1 2 398.297 2.259 20 0 GEADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000333058861 532863425 /nfs/dbraw/zinc/86/34/25/532863425.db2.gz MRBDDHYLXFNSJB-OIISXLGYSA-N 1 2 398.297 2.259 20 0 GEADLO C[C@@H](NS(=O)(=O)C[C@H]1CCCC1(F)F)C1([NH+]2CCOCC2)CCCC1 ZINC000333148738 532865655 /nfs/dbraw/zinc/86/56/55/532865655.db2.gz AHSRPFBLFCCRQR-HUUCEWRRSA-N 1 2 380.501 2.375 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@](C)(O)C3)[nH+]c12 ZINC000275129519 532866026 /nfs/dbraw/zinc/86/60/26/532866026.db2.gz OIGWPZPKTXVSET-MRXNPFEDSA-N 1 2 381.274 2.114 20 0 GEADLO CO[C@H]1CCCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333191514 532865896 /nfs/dbraw/zinc/86/58/96/532865896.db2.gz OJTIQXHYFVQAIC-LBPRGKRZSA-N 1 2 399.289 2.323 20 0 GEADLO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000289957082 532868809 /nfs/dbraw/zinc/86/88/09/532868809.db2.gz MPKVNUWTRCFUTL-KBPBESRZSA-N 1 2 380.495 2.271 20 0 GEADLO Cc1cc(NC(=O)CN2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)ccc1Br ZINC000289985533 532869327 /nfs/dbraw/zinc/86/93/27/532869327.db2.gz XWUIQFIEOUPCQS-RHSMWYFYSA-N 1 2 396.329 2.491 20 0 GEADLO Cc1cccc(Cl)c1S(=O)(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000416371569 532872603 /nfs/dbraw/zinc/87/26/03/532872603.db2.gz MSRSIBBGYZZRLA-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000290266740 532876450 /nfs/dbraw/zinc/87/64/50/532876450.db2.gz VUJKETKRFFRTSA-LKTVYLICSA-N 1 2 381.274 2.403 20 0 GEADLO O=S1(=O)CCCN1C1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000334057926 532878154 /nfs/dbraw/zinc/87/81/54/532878154.db2.gz WRJZMHFKHHIKLQ-UHFFFAOYSA-N 1 2 386.901 2.111 20 0 GEADLO OCC[N@H+](Cc1noc(Cc2ccc(Br)cc2)n1)C1CCOCC1 ZINC000275575771 532879213 /nfs/dbraw/zinc/87/92/13/532879213.db2.gz PEKPDCBTZGLAAT-UHFFFAOYSA-N 1 2 396.285 2.396 20 0 GEADLO OCC[N@@H+](Cc1noc(Cc2ccc(Br)cc2)n1)C1CCOCC1 ZINC000275575771 532879217 /nfs/dbraw/zinc/87/92/17/532879217.db2.gz PEKPDCBTZGLAAT-UHFFFAOYSA-N 1 2 396.285 2.396 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@H]1CCOc2ccc(Br)cc21 ZINC000348502204 532879276 /nfs/dbraw/zinc/87/92/76/532879276.db2.gz VLTVRXPNLCCWBU-STQMWFEESA-N 1 2 391.225 2.159 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@H]1CCOc2ccc(Br)cc21 ZINC000348502204 532879278 /nfs/dbraw/zinc/87/92/78/532879278.db2.gz VLTVRXPNLCCWBU-STQMWFEESA-N 1 2 391.225 2.159 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)ncc1Br ZINC000290380463 532879648 /nfs/dbraw/zinc/87/96/48/532879648.db2.gz AZFISWYGZJQYOU-MNOVXSKESA-N 1 2 388.693 2.433 20 0 GEADLO Cc1ccc(F)c(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)c1Br ZINC000290394588 532879717 /nfs/dbraw/zinc/87/97/17/532879717.db2.gz SCNLPIVDYSZDDW-UHFFFAOYSA-N 1 2 381.205 2.074 20 0 GEADLO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000348982259 532880115 /nfs/dbraw/zinc/88/01/15/532880115.db2.gz FYEIZTCLDWWKLE-ZDUSSCGKSA-N 1 2 389.253 2.494 20 0 GEADLO O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000348982259 532880117 /nfs/dbraw/zinc/88/01/17/532880117.db2.gz FYEIZTCLDWWKLE-ZDUSSCGKSA-N 1 2 389.253 2.494 20 0 GEADLO C[C@H]([NH2+][C@@H](C)c1ncn(C)n1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000275655613 532880746 /nfs/dbraw/zinc/88/07/46/532880746.db2.gz OJYJNDZFZKULJI-RYUDHWBXSA-N 1 2 380.290 2.275 20 0 GEADLO CSc1nnc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC000275662459 532881261 /nfs/dbraw/zinc/88/12/61/532881261.db2.gz VUFZEXCAJAJQJJ-NSHDSACASA-N 1 2 399.567 2.194 20 0 GEADLO CSc1nnc(-c2noc(C3CC[NH+](Cc4nccn4C)CC3)n2)s1 ZINC000350951133 532886969 /nfs/dbraw/zinc/88/69/69/532886969.db2.gz ISDXZCDZZQRNAF-UHFFFAOYSA-N 1 2 377.499 2.423 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C1(c2cccc(Br)c2)CC1 ZINC000290865778 532890939 /nfs/dbraw/zinc/89/09/39/532890939.db2.gz KVDSKIQYRIPNGH-UHFFFAOYSA-N 1 2 399.314 2.079 20 0 GEADLO C[C@@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000290849864 532891045 /nfs/dbraw/zinc/89/10/45/532891045.db2.gz JPVIJHJPKJDZJA-LLVKDONJSA-N 1 2 376.404 2.407 20 0 GEADLO O=C(CCNC(=O)N1CCn2c[nH+]cc2C1)Nc1ccc(Br)cc1 ZINC000290880761 532891701 /nfs/dbraw/zinc/89/17/01/532891701.db2.gz CVVIPIAMZPWAMN-UHFFFAOYSA-N 1 2 392.257 2.200 20 0 GEADLO Nc1cc2c(nn1)CC[N@@H+]([C@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000360756767 532890676 /nfs/dbraw/zinc/89/06/76/532890676.db2.gz RLUBAHWSCNZWIE-HNNXBMFYSA-N 1 2 378.263 2.529 20 0 GEADLO Nc1cc2c(nn1)CC[N@H+]([C@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000360756767 532890677 /nfs/dbraw/zinc/89/06/77/532890677.db2.gz RLUBAHWSCNZWIE-HNNXBMFYSA-N 1 2 378.263 2.529 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(Br)cnc1Cl ZINC000290953499 532893856 /nfs/dbraw/zinc/89/38/56/532893856.db2.gz PLCPEMKMVNXABS-ZWNOBZJWSA-N 1 2 388.693 2.433 20 0 GEADLO COc1ccccc1[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)[NH+](C)C ZINC000023691971 207281666 /nfs/dbraw/zinc/28/16/66/207281666.db2.gz OTVGAXRWQFSQTA-QGZVFWFLSA-N 1 2 376.478 2.131 20 0 GEADLO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000276401410 532895224 /nfs/dbraw/zinc/89/52/24/532895224.db2.gz DGWRLJAAEWPWNF-JTQLQIEISA-N 1 2 383.221 2.237 20 0 GEADLO Cc1cc(Br)cn2c(CN3C[C@@H](C)S(=O)(=O)[C@@H](C)C3)c[nH+]c12 ZINC000291028197 532895531 /nfs/dbraw/zinc/89/55/31/532895531.db2.gz YGDNUQAMHVHNBL-TXEJJXNPSA-N 1 2 386.315 2.413 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)CCO1 ZINC000424632725 532896170 /nfs/dbraw/zinc/89/61/70/532896170.db2.gz CDDSHHWKHIXRNN-UHFFFAOYSA-N 1 2 396.285 2.360 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)CCO1 ZINC000424632725 532896173 /nfs/dbraw/zinc/89/61/73/532896173.db2.gz CDDSHHWKHIXRNN-UHFFFAOYSA-N 1 2 396.285 2.360 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2[nH]nc(C3CC3)c2Br)CCO1 ZINC000276452345 532896380 /nfs/dbraw/zinc/89/63/80/532896380.db2.gz XSQNIWDBYTUWRR-PWSUYJOCSA-N 1 2 394.273 2.433 20 0 GEADLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000276483509 532896894 /nfs/dbraw/zinc/89/68/94/532896894.db2.gz SOICSQBTRLDTDN-GFCCVEGCSA-N 1 2 382.251 2.207 20 0 GEADLO CCCC[N@H+](C)C[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000291138671 532896952 /nfs/dbraw/zinc/89/69/52/532896952.db2.gz NPYWFJRKLQAXFQ-CYBMUJFWSA-N 1 2 376.544 2.026 20 0 GEADLO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000291138671 532896955 /nfs/dbraw/zinc/89/69/55/532896955.db2.gz NPYWFJRKLQAXFQ-CYBMUJFWSA-N 1 2 376.544 2.026 20 0 GEADLO C[C@H]1C[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c2ccsc2S1(=O)=O ZINC000291209552 532898444 /nfs/dbraw/zinc/89/84/44/532898444.db2.gz KQYKTOKVLCSOKB-GUTXKFCHSA-N 1 2 383.539 2.235 20 0 GEADLO C[C@H]1C[C@H](NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c2ccsc2S1(=O)=O ZINC000291209552 532898446 /nfs/dbraw/zinc/89/84/46/532898446.db2.gz KQYKTOKVLCSOKB-GUTXKFCHSA-N 1 2 383.539 2.235 20 0 GEADLO O=S(=O)(NCc1ccnc(-n2cc[nH+]c2)c1)c1ccc(Cl)nc1Cl ZINC000363354071 532898526 /nfs/dbraw/zinc/89/85/26/532898526.db2.gz YRSBODMYLUINJJ-UHFFFAOYSA-N 1 2 384.248 2.448 20 0 GEADLO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000363932685 532902338 /nfs/dbraw/zinc/90/23/38/532902338.db2.gz FSAFRHLYPBRXHQ-CYBMUJFWSA-N 1 2 381.527 2.263 20 0 GEADLO Cc1cnc(Br)c(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000291511585 532902973 /nfs/dbraw/zinc/90/29/73/532902973.db2.gz OPPYZMIHGLCYDX-NSHDSACASA-N 1 2 392.257 2.220 20 0 GEADLO COCCO[C@H]1CC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000291500793 532903254 /nfs/dbraw/zinc/90/32/54/532903254.db2.gz HKTCVGWVGINXMN-AWEZNQCLSA-N 1 2 381.274 2.267 20 0 GEADLO COCCO[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000291500793 532903256 /nfs/dbraw/zinc/90/32/56/532903256.db2.gz HKTCVGWVGINXMN-AWEZNQCLSA-N 1 2 381.274 2.267 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364180066 532904422 /nfs/dbraw/zinc/90/44/22/532904422.db2.gz KMGNUDBCFXXXJL-CYBMUJFWSA-N 1 2 378.226 2.167 20 0 GEADLO Cc1nn(C)c(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1Br ZINC000291670852 532906770 /nfs/dbraw/zinc/90/67/70/532906770.db2.gz WFTOXSLPFKJNOE-SNVBAGLBSA-N 1 2 397.239 2.382 20 0 GEADLO Cc1nn(C)c(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1Br ZINC000291670852 532906772 /nfs/dbraw/zinc/90/67/72/532906772.db2.gz WFTOXSLPFKJNOE-SNVBAGLBSA-N 1 2 397.239 2.382 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2nc(C3CC3)ncc2Br)C[C@H](C)O1 ZINC000291763063 532908283 /nfs/dbraw/zinc/90/82/83/532908283.db2.gz MURSNZSFZFNLFC-TXEJJXNPSA-N 1 2 397.317 2.298 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2nc(C3CC3)ncc2Br)C[C@H](C)O1 ZINC000291763063 532908285 /nfs/dbraw/zinc/90/82/85/532908285.db2.gz MURSNZSFZFNLFC-TXEJJXNPSA-N 1 2 397.317 2.298 20 0 GEADLO Cc1cnc(Br)c(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000292014255 532912044 /nfs/dbraw/zinc/91/20/44/532912044.db2.gz IZYHPWGDVMHSQW-CHWSQXEVSA-N 1 2 383.290 2.479 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(=O)n1C ZINC000366167813 532914874 /nfs/dbraw/zinc/91/48/74/532914874.db2.gz WFMKDMGZRPKKHU-CYBMUJFWSA-N 1 2 392.253 2.145 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H](O)C[C@@H]3C)[nH+]c12 ZINC000292360086 532915573 /nfs/dbraw/zinc/91/55/73/532915573.db2.gz QJDYRMJRYYFKSY-FZMZJTMJSA-N 1 2 381.274 2.460 20 0 GEADLO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1nc(C(F)(F)F)cs1 ZINC000366269718 532915597 /nfs/dbraw/zinc/91/55/97/532915597.db2.gz DGTNYUZXCDGEFB-MWLCHTKSSA-N 1 2 378.420 2.385 20 0 GEADLO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1nc(C(F)(F)F)cs1 ZINC000366269718 532915598 /nfs/dbraw/zinc/91/55/98/532915598.db2.gz DGTNYUZXCDGEFB-MWLCHTKSSA-N 1 2 378.420 2.385 20 0 GEADLO COC(=O)[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1c1ccc(Cl)cc1 ZINC000292371176 532915750 /nfs/dbraw/zinc/91/57/50/532915750.db2.gz IWMBHZZKWMVRRN-QWHCGFSZSA-N 1 2 378.778 2.207 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1c1ccc(Cl)cc1 ZINC000292371176 532915752 /nfs/dbraw/zinc/91/57/52/532915752.db2.gz IWMBHZZKWMVRRN-QWHCGFSZSA-N 1 2 378.778 2.207 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000365986756 532913663 /nfs/dbraw/zinc/91/36/63/532913663.db2.gz GXQHSFDRLMPXDD-DOMZBBRYSA-N 1 2 390.285 2.227 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000365986756 532913664 /nfs/dbraw/zinc/91/36/64/532913664.db2.gz GXQHSFDRLMPXDD-DOMZBBRYSA-N 1 2 390.285 2.227 20 0 GEADLO CCc1n[nH]c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1Br ZINC000366061201 532914150 /nfs/dbraw/zinc/91/41/50/532914150.db2.gz ZYJXQWYABCJEAR-GFCCVEGCSA-N 1 2 385.306 2.062 20 0 GEADLO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC(n2cncn2)C1 ZINC000366065472 532914229 /nfs/dbraw/zinc/91/42/29/532914229.db2.gz FBROGJXZEICXCL-MRXNPFEDSA-N 1 2 390.285 2.261 20 0 GEADLO COc1ccc(CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1Br ZINC000366096989 532914465 /nfs/dbraw/zinc/91/44/65/532914465.db2.gz ZNRVEOHGQOMKDH-AWEZNQCLSA-N 1 2 398.301 2.120 20 0 GEADLO COc1ccc(CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1Br ZINC000366096989 532914466 /nfs/dbraw/zinc/91/44/66/532914466.db2.gz ZNRVEOHGQOMKDH-AWEZNQCLSA-N 1 2 398.301 2.120 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc3ccc(Br)cn32)CC1 ZINC000292703907 532917780 /nfs/dbraw/zinc/91/77/80/532917780.db2.gz GXVAUKJMZOXYEL-NSHDSACASA-N 1 2 398.330 2.137 20 0 GEADLO Cn1cc([C@@H]([NH2+]CC(=O)Nc2nncs2)c2ccc(F)c(Cl)c2)cn1 ZINC000366647417 532919554 /nfs/dbraw/zinc/91/95/54/532919554.db2.gz XGXLWHOJFGIXAX-AWEZNQCLSA-N 1 2 380.836 2.382 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000366639884 532919699 /nfs/dbraw/zinc/91/96/99/532919699.db2.gz JMDZSCKIUCKSTG-LRDDRELGSA-N 1 2 381.270 2.045 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@H]2CCOC(=O)[C@H]21 ZINC000366639884 532919700 /nfs/dbraw/zinc/91/97/00/532919700.db2.gz JMDZSCKIUCKSTG-LRDDRELGSA-N 1 2 381.270 2.045 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CCOC(=O)[C@@H]21)c1ccc(Br)cc1 ZINC000366642174 532919726 /nfs/dbraw/zinc/91/97/26/532919726.db2.gz MZTQBEICWXMGOF-NORZTCDRSA-N 1 2 381.270 2.264 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H]2CCOC(=O)[C@@H]21)c1ccc(Br)cc1 ZINC000366642174 532919727 /nfs/dbraw/zinc/91/97/27/532919727.db2.gz MZTQBEICWXMGOF-NORZTCDRSA-N 1 2 381.270 2.264 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000292926798 532919901 /nfs/dbraw/zinc/91/99/01/532919901.db2.gz IRMFRQUVFYDCIZ-CYBMUJFWSA-N 1 2 384.267 2.353 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000292926798 532919902 /nfs/dbraw/zinc/91/99/02/532919902.db2.gz IRMFRQUVFYDCIZ-CYBMUJFWSA-N 1 2 384.267 2.353 20 0 GEADLO C[S@@](=O)c1ccc(CC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cc1 ZINC000366650790 532920098 /nfs/dbraw/zinc/92/00/98/532920098.db2.gz FDWQEKCUHVDZDT-RUZDIDTESA-N 1 2 377.535 2.158 20 0 GEADLO C[S@@](=O)c1ccc(CC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cc1 ZINC000366650790 532920101 /nfs/dbraw/zinc/92/01/01/532920101.db2.gz FDWQEKCUHVDZDT-RUZDIDTESA-N 1 2 377.535 2.158 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000366719644 532920449 /nfs/dbraw/zinc/92/04/49/532920449.db2.gz HUQHINNKHXJOLR-BLLLJJGKSA-N 1 2 394.313 2.308 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000366719644 532920451 /nfs/dbraw/zinc/92/04/51/532920451.db2.gz HUQHINNKHXJOLR-BLLLJJGKSA-N 1 2 394.313 2.308 20 0 GEADLO CCNC(=O)[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C(C)C ZINC000292979789 532920743 /nfs/dbraw/zinc/92/07/43/532920743.db2.gz MZIOQGUBJDCRQI-HNNXBMFYSA-N 1 2 380.290 2.280 20 0 GEADLO C[C@@H](C(=O)N1CC[C@@H](Nc2cccc(Br)c2)C1)[NH+]1CCN(C)CC1 ZINC000366811417 532921424 /nfs/dbraw/zinc/92/14/24/532921424.db2.gz QCJMHNIRXDHGRK-WMLDXEAASA-N 1 2 395.345 2.098 20 0 GEADLO O=C1[C@H]([N@@H+]2CCO[C@@]3(CCCOC3)C2)CCN1c1cccc(Br)c1 ZINC000367513228 532925594 /nfs/dbraw/zinc/92/55/94/532925594.db2.gz KASFYJVWCLPQFF-AEFFLSMTSA-N 1 2 395.297 2.436 20 0 GEADLO O=C1[C@H]([N@H+]2CCO[C@@]3(CCCOC3)C2)CCN1c1cccc(Br)c1 ZINC000367513228 532925596 /nfs/dbraw/zinc/92/55/96/532925596.db2.gz KASFYJVWCLPQFF-AEFFLSMTSA-N 1 2 395.297 2.436 20 0 GEADLO NS(=O)(=O)C1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000367147553 532923090 /nfs/dbraw/zinc/92/30/90/532923090.db2.gz GQPHMNIUYHFAHM-UHFFFAOYSA-N 1 2 399.257 2.303 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000368207456 532930630 /nfs/dbraw/zinc/93/06/30/532930630.db2.gz XEJBIVWTSBMZKP-UHFFFAOYSA-N 1 2 381.278 2.001 20 0 GEADLO C[C@H]1C[C@H](NC(=O)N2CC[NH+](C3CCC3)CC2)c2ccsc2S1(=O)=O ZINC000368292627 532931108 /nfs/dbraw/zinc/93/11/08/532931108.db2.gz XJJXQHFDIYLRLR-WFASDCNBSA-N 1 2 383.539 2.235 20 0 GEADLO O=C([C@@H]1CCCO1)N1CCC[N@@H+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000368902295 532935424 /nfs/dbraw/zinc/93/54/24/532935424.db2.gz SIZAPULSQBUCDR-SJORKVTESA-N 1 2 397.313 2.196 20 0 GEADLO O=C([C@@H]1CCCO1)N1CCC[N@H+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000368902295 532935426 /nfs/dbraw/zinc/93/54/26/532935426.db2.gz SIZAPULSQBUCDR-SJORKVTESA-N 1 2 397.313 2.196 20 0 GEADLO CN(C(=O)NCC[NH+]1CCOCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000368735986 532934035 /nfs/dbraw/zinc/93/40/35/532934035.db2.gz KTRNBUMKBJNVQN-OAHLLOKOSA-N 1 2 398.301 2.246 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000369173747 532937275 /nfs/dbraw/zinc/93/72/75/532937275.db2.gz JRMAQAWVYKXANO-UHFFFAOYSA-N 1 2 383.905 2.327 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000369225321 532937519 /nfs/dbraw/zinc/93/75/19/532937519.db2.gz OTHHIUCNRGNQEK-AWEZNQCLSA-N 1 2 384.464 2.093 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000369288109 532937837 /nfs/dbraw/zinc/93/78/37/532937837.db2.gz NPPFDWKMEHGSMK-CQSZACIVSA-N 1 2 381.523 2.332 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000369288109 532937838 /nfs/dbraw/zinc/93/78/38/532937838.db2.gz NPPFDWKMEHGSMK-CQSZACIVSA-N 1 2 381.523 2.332 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1C[C@H](c2cccs2)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000369655066 532940294 /nfs/dbraw/zinc/94/02/94/532940294.db2.gz GMOAXQIXFQZZNK-CAOSSQGBSA-N 1 2 384.567 2.350 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1C[C@H](c2cccs2)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000369655066 532940295 /nfs/dbraw/zinc/94/02/95/532940295.db2.gz GMOAXQIXFQZZNK-CAOSSQGBSA-N 1 2 384.567 2.350 20 0 GEADLO COC(=O)[C@@H](NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cccc(Cl)c1 ZINC000369404095 532939286 /nfs/dbraw/zinc/93/92/86/532939286.db2.gz OTWSSBUEELERPH-WMZOPIPTSA-N 1 2 384.929 2.352 20 0 GEADLO Cn1c[nH+]c2c1CCN(S(=O)(=O)c1cc(Br)c(F)cc1F)C2 ZINC000370256655 532942736 /nfs/dbraw/zinc/94/27/36/532942736.db2.gz PBPWPNHENPODPQ-UHFFFAOYSA-N 1 2 392.225 2.208 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000370342829 532942885 /nfs/dbraw/zinc/94/28/85/532942885.db2.gz LUSSRWZXDQYJDI-GUTXKFCHSA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000370342829 532942886 /nfs/dbraw/zinc/94/28/86/532942886.db2.gz LUSSRWZXDQYJDI-GUTXKFCHSA-N 1 2 392.279 2.386 20 0 GEADLO Cn1cc(C[C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000370003999 532941717 /nfs/dbraw/zinc/94/17/17/532941717.db2.gz BAMCPIUQVQSGFC-MLGOLLRUSA-N 1 2 377.286 2.274 20 0 GEADLO Cn1cc(C[C@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000370003999 532941718 /nfs/dbraw/zinc/94/17/18/532941718.db2.gz BAMCPIUQVQSGFC-MLGOLLRUSA-N 1 2 377.286 2.274 20 0 GEADLO Cn1cc(C[C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000370004000 532941729 /nfs/dbraw/zinc/94/17/29/532941729.db2.gz BAMCPIUQVQSGFC-WBMJQRKESA-N 1 2 377.286 2.274 20 0 GEADLO Cn1cc(C[C@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000370004000 532941730 /nfs/dbraw/zinc/94/17/30/532941730.db2.gz BAMCPIUQVQSGFC-WBMJQRKESA-N 1 2 377.286 2.274 20 0 GEADLO CN(C)C(=O)Sc1cccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1 ZINC000370945628 532946169 /nfs/dbraw/zinc/94/61/69/532946169.db2.gz YCHYQBGGPFQZJW-MRXNPFEDSA-N 1 2 383.539 2.116 20 0 GEADLO CN(C)C(=O)Sc1cccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1 ZINC000370945628 532946170 /nfs/dbraw/zinc/94/61/70/532946170.db2.gz YCHYQBGGPFQZJW-MRXNPFEDSA-N 1 2 383.539 2.116 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCCOC1)c1cccc(Br)c1 ZINC000370549888 532944226 /nfs/dbraw/zinc/94/42/26/532944226.db2.gz RGBRYVRVJSDEHT-QGZVFWFLSA-N 1 2 383.286 2.060 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000371318093 532947547 /nfs/dbraw/zinc/94/75/47/532947547.db2.gz GXRZIQLGGLNFAX-LLVKDONJSA-N 1 2 375.372 2.497 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000371318094 532947570 /nfs/dbraw/zinc/94/75/70/532947570.db2.gz GXRZIQLGGLNFAX-NSHDSACASA-N 1 2 375.372 2.497 20 0 GEADLO Cn1c[nH+]c2c1CCN(S(=O)(=O)c1cc(F)c(Br)cc1F)C2 ZINC000371088492 532946974 /nfs/dbraw/zinc/94/69/74/532946974.db2.gz OPBZGRMLZHIULT-UHFFFAOYSA-N 1 2 392.225 2.208 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(F)c(Br)c3)C2)nn1 ZINC000371851483 532949732 /nfs/dbraw/zinc/94/97/32/532949732.db2.gz GIXYQTUYRHIOLD-NSHDSACASA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(F)c(Br)c3)C2)nn1 ZINC000371851483 532949733 /nfs/dbraw/zinc/94/97/33/532949733.db2.gz GIXYQTUYRHIOLD-NSHDSACASA-N 1 2 383.221 2.413 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000371705055 532949370 /nfs/dbraw/zinc/94/93/70/532949370.db2.gz ZIEBTCNAAYCEMO-UHFFFAOYSA-N 1 2 386.271 2.167 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](Oc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737877672 598833875 /nfs/dbraw/zinc/83/38/75/598833875.db2.gz NYZMJYFXMJHNDT-AWEZNQCLSA-N 1 2 384.465 2.410 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](Oc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737877672 598833876 /nfs/dbraw/zinc/83/38/76/598833876.db2.gz NYZMJYFXMJHNDT-AWEZNQCLSA-N 1 2 384.465 2.410 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(c2snc(Cl)c2-c2nn[nH]n2)CC1 ZINC000736202281 598944387 /nfs/dbraw/zinc/94/43/87/598944387.db2.gz IGUKOFSRYNGDJI-SNVBAGLBSA-N 1 2 376.877 2.255 20 0 GEADLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cs1 ZINC000736699369 598961280 /nfs/dbraw/zinc/96/12/80/598961280.db2.gz NULYBPYBHFWNOW-BXUZGUMPSA-N 1 2 383.481 2.342 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736205083 598962797 /nfs/dbraw/zinc/96/27/97/598962797.db2.gz XEKPNEYPDUYZCA-AWEZNQCLSA-N 1 2 378.440 2.172 20 0 GEADLO NC(=O)[C@H]([NH2+]Cc1cc(Br)cs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737392 599092824 /nfs/dbraw/zinc/09/28/24/599092824.db2.gz QNGMHFQTBGFZKN-GFCCVEGCSA-N 1 2 393.270 2.007 20 0 GEADLO Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CC[NH+](Cc2cccnc2)CC1 ZINC000737408223 599121315 /nfs/dbraw/zinc/12/13/15/599121315.db2.gz HKVYEWNKWZEGNY-UHFFFAOYSA-N 1 2 386.463 2.441 20 0 GEADLO C[C@@H](NC(=O)COc1ccccc1-c1nn[nH]n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820327773 599206064 /nfs/dbraw/zinc/20/60/64/599206064.db2.gz JRPPJIWEMWEVDY-CQSZACIVSA-N 1 2 389.419 2.309 20 0 GEADLO c1ccc(-c2ccc(CN3CC[NH+]([C@H]4CCOC4)CC3)cc2)c(-c2nn[nH]n2)c1 ZINC000823766562 607313079 /nfs/dbraw/zinc/31/30/79/607313079.db2.gz FGHZXRDPYFGWQF-IBGZPJMESA-N 1 2 390.491 2.440 20 0 GEADLO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cn1cnc(-c2ccccc2)n1 ZINC000737001551 599265103 /nfs/dbraw/zinc/26/51/03/599265103.db2.gz BFXXGJXRNZYDHA-UHFFFAOYSA-N 1 2 390.451 2.231 20 0 GEADLO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cn1cnc(-c2ccccc2)n1 ZINC000737001551 599265104 /nfs/dbraw/zinc/26/51/04/599265104.db2.gz BFXXGJXRNZYDHA-UHFFFAOYSA-N 1 2 390.451 2.231 20 0 GEADLO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735664659 599287886 /nfs/dbraw/zinc/28/78/86/599287886.db2.gz NEESZUIBWJQFDX-DOTOQJQBSA-N 1 2 394.483 2.012 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820307122 599288217 /nfs/dbraw/zinc/28/82/17/599288217.db2.gz IOCQXAUOROGMAR-VIFPVBQESA-N 1 2 380.334 2.292 20 0 GEADLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736275307 598250980 /nfs/dbraw/zinc/25/09/80/598250980.db2.gz WYIHZHXIJLBFMP-FUHWJXTLSA-N 1 2 397.527 2.026 20 0 GEADLO O[C@@H](C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1c(F)cccc1F ZINC000738383541 598251654 /nfs/dbraw/zinc/25/16/54/598251654.db2.gz VPFAZCCBTJSHNI-KRWDZBQOSA-N 1 2 386.406 2.001 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@H]1OCCc2ccccc21 ZINC000736788820 598258060 /nfs/dbraw/zinc/25/80/60/598258060.db2.gz XMJZOQHFPZBCGW-GOSISDBHSA-N 1 2 378.436 2.051 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@H]1OCCc2ccccc21 ZINC000736788820 598258062 /nfs/dbraw/zinc/25/80/62/598258062.db2.gz XMJZOQHFPZBCGW-GOSISDBHSA-N 1 2 378.436 2.051 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1C[C@@H](O)c1ccccc1 ZINC000736290599 598365724 /nfs/dbraw/zinc/36/57/24/598365724.db2.gz RLBOAVHKXHXHSR-OXQOHEQNSA-N 1 2 378.480 2.106 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1C[C@@H](O)c1ccccc1 ZINC000736290599 598365725 /nfs/dbraw/zinc/36/57/25/598365725.db2.gz RLBOAVHKXHXHSR-OXQOHEQNSA-N 1 2 378.480 2.106 20 0 GEADLO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000736171285 598472392 /nfs/dbraw/zinc/47/23/92/598472392.db2.gz VHFLDTAFPWMNTN-CJNGLKHVSA-N 1 2 383.456 2.062 20 0 GEADLO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000738233025 598595642 /nfs/dbraw/zinc/59/56/42/598595642.db2.gz CJNSTPHZKNRVLN-LJQANCHMSA-N 1 2 393.447 2.453 20 0 GEADLO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000738233025 598595643 /nfs/dbraw/zinc/59/56/43/598595643.db2.gz CJNSTPHZKNRVLN-LJQANCHMSA-N 1 2 393.447 2.453 20 0 GEADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000738233022 598595669 /nfs/dbraw/zinc/59/56/69/598595669.db2.gz CJNSTPHZKNRVLN-IBGZPJMESA-N 1 2 393.447 2.453 20 0 GEADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000738233022 598595670 /nfs/dbraw/zinc/59/56/70/598595670.db2.gz CJNSTPHZKNRVLN-IBGZPJMESA-N 1 2 393.447 2.453 20 0 GEADLO CC(C)[C@@H](C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736288315 598597626 /nfs/dbraw/zinc/59/76/26/598597626.db2.gz AJIIUHBRGITLNZ-OZVIIMIRSA-N 1 2 376.436 2.078 20 0 GEADLO CC(C)[C@@H](C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736288315 598597627 /nfs/dbraw/zinc/59/76/27/598597627.db2.gz AJIIUHBRGITLNZ-OZVIIMIRSA-N 1 2 376.436 2.078 20 0 GEADLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000736817764 598600803 /nfs/dbraw/zinc/60/08/03/598600803.db2.gz JEPUJGRVNDINME-KRWDZBQOSA-N 1 2 380.427 2.411 20 0 GEADLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000736817764 598600805 /nfs/dbraw/zinc/60/08/05/598600805.db2.gz JEPUJGRVNDINME-KRWDZBQOSA-N 1 2 380.427 2.411 20 0 GEADLO O=C(CSc1ccc(-c2nn[nH]n2)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000737939742 598657450 /nfs/dbraw/zinc/65/74/50/598657450.db2.gz BMKGAQJMBSKGMW-UHFFFAOYSA-N 1 2 391.460 2.461 20 0 GEADLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)C2 ZINC000737118714 598684975 /nfs/dbraw/zinc/68/49/75/598684975.db2.gz HKMFLFDKSWYYEI-UHFFFAOYSA-N 1 2 384.465 2.324 20 0 GEADLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)C2 ZINC000737118714 598684977 /nfs/dbraw/zinc/68/49/77/598684977.db2.gz HKMFLFDKSWYYEI-UHFFFAOYSA-N 1 2 384.465 2.324 20 0 GEADLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)C2 ZINC000737119009 598685126 /nfs/dbraw/zinc/68/51/26/598685126.db2.gz JXWGPQDMZWOSTH-UHFFFAOYSA-N 1 2 396.451 2.472 20 0 GEADLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)C2 ZINC000737119009 598685128 /nfs/dbraw/zinc/68/51/28/598685128.db2.gz JXWGPQDMZWOSTH-UHFFFAOYSA-N 1 2 396.451 2.472 20 0 GEADLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000736861080 598718039 /nfs/dbraw/zinc/71/80/39/598718039.db2.gz YFRSPPYVYLMQCN-OAHLLOKOSA-N 1 2 383.481 2.337 20 0 GEADLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000736861080 598718041 /nfs/dbraw/zinc/71/80/41/598718041.db2.gz YFRSPPYVYLMQCN-OAHLLOKOSA-N 1 2 383.481 2.337 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736039750 598757080 /nfs/dbraw/zinc/75/70/80/598757080.db2.gz LEJSRPPNPSEPMC-AWEZNQCLSA-N 1 2 385.493 2.399 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736039750 598757082 /nfs/dbraw/zinc/75/70/82/598757082.db2.gz LEJSRPPNPSEPMC-AWEZNQCLSA-N 1 2 385.493 2.399 20 0 GEADLO Cc1nc(C)n([C@@H]2CCCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)n1 ZINC000737472958 599294485 /nfs/dbraw/zinc/29/44/85/599294485.db2.gz CCNSIZVSSKQQNI-CQSZACIVSA-N 1 2 375.440 2.465 20 0 GEADLO C[C@H](C(=O)OCCOc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000735571255 599367158 /nfs/dbraw/zinc/36/71/58/599367158.db2.gz ASWHFFKHPQXJSJ-OAHLLOKOSA-N 1 2 381.436 2.309 20 0 GEADLO C[C@H](C(=O)OCCOc1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000735571255 599367161 /nfs/dbraw/zinc/36/71/61/599367161.db2.gz ASWHFFKHPQXJSJ-OAHLLOKOSA-N 1 2 381.436 2.309 20 0 GEADLO Cc1ccccc1C(N)=[NH+]OCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822351014 599382792 /nfs/dbraw/zinc/38/27/92/599382792.db2.gz JKXBMPBXVKBYBF-UHFFFAOYSA-N 1 2 376.380 2.272 20 0 GEADLO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccccc1OCC(=O)N(C)C ZINC000820926699 599408156 /nfs/dbraw/zinc/40/81/56/599408156.db2.gz VKYBOBCKIPKFSQ-OAHLLOKOSA-N 1 2 384.440 2.168 20 0 GEADLO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000820433029 599421313 /nfs/dbraw/zinc/42/13/13/599421313.db2.gz VKEUAHBTFDPYJS-CYBMUJFWSA-N 1 2 381.440 2.177 20 0 GEADLO CC[NH+](CC)Cc1nc(C2(NCc3ccc(-c4nn[nH]n4)o3)CCCC2)no1 ZINC000821197895 599459833 /nfs/dbraw/zinc/45/98/33/599459833.db2.gz NQEDJAIDWHOHKF-UHFFFAOYSA-N 1 2 386.460 2.244 20 0 GEADLO O=C(NCCCC(F)(F)F)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823187704 599487263 /nfs/dbraw/zinc/48/72/63/599487263.db2.gz OEQNDBICLCXODT-UHFFFAOYSA-N 1 2 397.405 2.036 20 0 GEADLO CCN(CC)C(=O)C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000821169972 599502809 /nfs/dbraw/zinc/50/28/09/599502809.db2.gz JXBXTTRNMYOKEX-UHFFFAOYSA-N 1 2 379.468 2.500 20 0 GEADLO CC(C)COC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000820096778 599506967 /nfs/dbraw/zinc/50/69/67/599506967.db2.gz GVCONHXRESFCJQ-UHFFFAOYSA-N 1 2 381.440 2.330 20 0 GEADLO Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000822193010 599534936 /nfs/dbraw/zinc/53/49/36/599534936.db2.gz IHYVPOVJQVGDNG-UHFFFAOYSA-N 1 2 395.515 2.152 20 0 GEADLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccsc1 ZINC000735524471 599561000 /nfs/dbraw/zinc/56/10/00/599561000.db2.gz BUUMAVDZYJAJQG-AWEZNQCLSA-N 1 2 382.493 2.376 20 0 GEADLO CCO[C@@H]1C[C@@H](O)C12CCN(c1c(-c3nn[nH]n3)c[nH+]c3c(C)cccc31)CC2 ZINC000821361125 599570880 /nfs/dbraw/zinc/57/08/80/599570880.db2.gz SWWOHKDKGWIYKJ-IAGOWNOFSA-N 1 2 394.479 2.480 20 0 GEADLO CCO[C@H]1C[C@@H](O)C12CCN(c1c(-c3nn[nH]n3)c[nH+]c3ccccc31)CC2 ZINC000821357847 599571394 /nfs/dbraw/zinc/57/13/94/599571394.db2.gz FZNKTBZELWDMTM-SJORKVTESA-N 1 2 380.452 2.171 20 0 GEADLO O=C1[C@H]([NH+]2CCC(C(F)(F)F)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504073 599644112 /nfs/dbraw/zinc/64/41/12/599644112.db2.gz LNVLTDIVQFAVSZ-CQSZACIVSA-N 1 2 380.374 2.246 20 0 GEADLO CC[N@H+](C)[C@H](C(=O)OCCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000821161062 599663383 /nfs/dbraw/zinc/66/33/83/599663383.db2.gz UHPKKCJOIDTLBP-SFHVURJKSA-N 1 2 381.436 2.482 20 0 GEADLO CC[N@@H+](C)[C@H](C(=O)OCCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000821161062 599663384 /nfs/dbraw/zinc/66/33/84/599663384.db2.gz UHPKKCJOIDTLBP-SFHVURJKSA-N 1 2 381.436 2.482 20 0 GEADLO Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C(=O)[O-])c3ccccc3)CC2)cc1 ZINC000738598048 599782031 /nfs/dbraw/zinc/78/20/31/599782031.db2.gz OSVZRYLVHCOZOM-QFIPXVFZSA-N 1 2 395.503 2.445 20 0 GEADLO Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C(=O)[O-])c3ccccc3)CC2)cc1 ZINC000738598048 599782033 /nfs/dbraw/zinc/78/20/33/599782033.db2.gz OSVZRYLVHCOZOM-QFIPXVFZSA-N 1 2 395.503 2.445 20 0 GEADLO CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000737285200 599975866 /nfs/dbraw/zinc/97/58/66/599975866.db2.gz OQDXMGUIACEVQW-QGZVFWFLSA-N 1 2 385.468 2.489 20 0 GEADLO CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000737285200 599975867 /nfs/dbraw/zinc/97/58/67/599975867.db2.gz OQDXMGUIACEVQW-QGZVFWFLSA-N 1 2 385.468 2.489 20 0 GEADLO CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000737283836 599975892 /nfs/dbraw/zinc/97/58/92/599975892.db2.gz AOFOZEUQCJRHAS-YJBOKZPZSA-N 1 2 384.480 2.486 20 0 GEADLO CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000737283836 599975895 /nfs/dbraw/zinc/97/58/95/599975895.db2.gz AOFOZEUQCJRHAS-YJBOKZPZSA-N 1 2 384.480 2.486 20 0 GEADLO Cc1[nH]c(C(=O)[C@@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(C)c1C(=O)[O-] ZINC000738236117 600091295 /nfs/dbraw/zinc/09/12/95/600091295.db2.gz KIEZCVHTQAFILY-MRXNPFEDSA-N 1 2 391.512 2.335 20 0 GEADLO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)C[C@@H](O)c1ccc(C)cc1 ZINC000821165021 607454017 /nfs/dbraw/zinc/45/40/17/607454017.db2.gz NAWOGEIVGRQDAH-MRXNPFEDSA-N 1 2 398.467 2.379 20 0 GEADLO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)C[C@@H](O)c1ccc(C)cc1 ZINC000821165021 607454018 /nfs/dbraw/zinc/45/40/18/607454018.db2.gz NAWOGEIVGRQDAH-MRXNPFEDSA-N 1 2 398.467 2.379 20 0 GEADLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)cn1 ZINC000825985845 607503531 /nfs/dbraw/zinc/50/35/31/607503531.db2.gz CLNRVXFKUPLKCH-GOSISDBHSA-N 1 2 378.415 2.356 20 0 GEADLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)cn1 ZINC000825985845 607503532 /nfs/dbraw/zinc/50/35/32/607503532.db2.gz CLNRVXFKUPLKCH-GOSISDBHSA-N 1 2 378.415 2.356 20 0 GEADLO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000825986020 607505189 /nfs/dbraw/zinc/50/51/89/607505189.db2.gz KTGKUMLVCNLFPE-UHFFFAOYSA-N 1 2 390.350 2.224 20 0 GEADLO C[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000825986020 607505190 /nfs/dbraw/zinc/50/51/90/607505190.db2.gz KTGKUMLVCNLFPE-UHFFFAOYSA-N 1 2 390.350 2.224 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)C1CC1 ZINC000825493927 607519061 /nfs/dbraw/zinc/51/90/61/607519061.db2.gz QRISWQJTFRUJGR-LJQANCHMSA-N 1 2 392.463 2.401 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)C1CC1 ZINC000825493927 607519063 /nfs/dbraw/zinc/51/90/63/607519063.db2.gz QRISWQJTFRUJGR-LJQANCHMSA-N 1 2 392.463 2.401 20 0 GEADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(-c3nn[nH]n3)cn2)c(C)c1 ZINC000826284485 607541981 /nfs/dbraw/zinc/54/19/81/607541981.db2.gz VEPXQAVDOUBPBC-SFHVURJKSA-N 1 2 388.435 2.246 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000826181908 607554962 /nfs/dbraw/zinc/55/49/62/607554962.db2.gz RXEXLRMJCURCNO-UHFFFAOYSA-N 1 2 381.362 2.260 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000826181908 607554964 /nfs/dbraw/zinc/55/49/64/607554964.db2.gz RXEXLRMJCURCNO-UHFFFAOYSA-N 1 2 381.362 2.260 20 0 GEADLO C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823654552 602925079 /nfs/dbraw/zinc/92/50/79/602925079.db2.gz KNBZCBDSOISQEF-APWZRJJASA-N 1 2 390.528 2.116 20 0 GEADLO C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823654552 602925080 /nfs/dbraw/zinc/92/50/80/602925080.db2.gz KNBZCBDSOISQEF-APWZRJJASA-N 1 2 390.528 2.116 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000828467100 603330728 /nfs/dbraw/zinc/33/07/28/603330728.db2.gz UMSDENNBHKJARE-UHFFFAOYSA-N 1 2 391.516 2.286 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000828467100 603330733 /nfs/dbraw/zinc/33/07/33/603330733.db2.gz UMSDENNBHKJARE-UHFFFAOYSA-N 1 2 391.516 2.286 20 0 GEADLO CC[C@](C)([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1nccs1 ZINC000444227570 649942979 /nfs/dbraw/zinc/94/29/79/649942979.db2.gz RBFDIVNJCLWYCD-KRWDZBQOSA-N 1 2 381.523 2.078 20 0 GEADLO O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000248535455 604961469 /nfs/dbraw/zinc/96/14/69/604961469.db2.gz KERQWDLSNPTQLC-SZMVWBNQSA-N 1 2 391.537 2.110 20 0 GEADLO O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000248535455 604961473 /nfs/dbraw/zinc/96/14/73/604961473.db2.gz KERQWDLSNPTQLC-SZMVWBNQSA-N 1 2 391.537 2.110 20 0 GEADLO O=C([O-])NC1CCC([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000834162909 605595701 /nfs/dbraw/zinc/59/57/01/605595701.db2.gz GFXDCMCVCHQPAO-UHFFFAOYSA-N 1 2 377.485 2.066 20 0 GEADLO C[C@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000833817273 605678373 /nfs/dbraw/zinc/67/83/73/605678373.db2.gz HFZMQSWOBLJXET-OXJNMPFZSA-N 1 2 390.528 2.074 20 0 GEADLO C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000833817273 605678376 /nfs/dbraw/zinc/67/83/76/605678376.db2.gz HFZMQSWOBLJXET-OXJNMPFZSA-N 1 2 390.528 2.074 20 0 GEADLO C[C@@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000833821159 605681440 /nfs/dbraw/zinc/68/14/40/605681440.db2.gz ZBSSOLMHLZNMFI-APWZRJJASA-N 1 2 377.485 2.018 20 0 GEADLO C[C@@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000833821159 605681441 /nfs/dbraw/zinc/68/14/41/605681441.db2.gz ZBSSOLMHLZNMFI-APWZRJJASA-N 1 2 377.485 2.018 20 0 GEADLO Cc1cc(NCCNC(=O)c2ccc(S(C)(=O)=O)s2)nc(C(C)C)[nH+]1 ZINC000529845833 649960791 /nfs/dbraw/zinc/96/07/91/649960791.db2.gz LZLIMNJRURLBAL-UHFFFAOYSA-N 1 2 382.511 2.215 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c(-c2nn[nH]n2)c1C ZINC000822556972 606108484 /nfs/dbraw/zinc/10/84/84/606108484.db2.gz DOJLVYSYKQSBFS-LBPRGKRZSA-N 1 2 386.485 2.086 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c(-c2nn[nH]n2)c1C ZINC000822556972 606108485 /nfs/dbraw/zinc/10/84/85/606108485.db2.gz DOJLVYSYKQSBFS-LBPRGKRZSA-N 1 2 386.485 2.086 20 0 GEADLO Cc1cccn2cc(CCNC(=O)N[C@@H](C)c3ccc(-c4nn[nH]n4)cc3)[nH+]c12 ZINC000822366649 606116095 /nfs/dbraw/zinc/11/60/95/606116095.db2.gz QUQJYXGANYMTQJ-AWEZNQCLSA-N 1 2 390.451 2.426 20 0 GEADLO Cc1cccn2cc(CCNC(=O)NCc3cc(-c4nn[nH]n4)ccc3F)[nH+]c12 ZINC000822367047 606117394 /nfs/dbraw/zinc/11/73/94/606117394.db2.gz ZVWDYUORLUNVFF-UHFFFAOYSA-N 1 2 394.414 2.004 20 0 GEADLO C[C@@H](c1ccccn1)[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000820571032 606199865 /nfs/dbraw/zinc/19/98/65/606199865.db2.gz UWBIWUIUEFPBGZ-ZDUSSCGKSA-N 1 2 392.423 2.393 20 0 GEADLO Fc1cc(-c2nn[nH]n2)ccc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000822747993 606215726 /nfs/dbraw/zinc/21/57/26/606215726.db2.gz BKOORKRTZMLRGC-UHFFFAOYSA-N 1 2 398.442 2.329 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H](C)O1 ZINC000820759741 606314919 /nfs/dbraw/zinc/31/49/19/606314919.db2.gz NDFOYNAZQJYCFY-BETUJISGSA-N 1 2 381.440 2.056 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H](C)O1 ZINC000820759741 606314921 /nfs/dbraw/zinc/31/49/21/606314921.db2.gz NDFOYNAZQJYCFY-BETUJISGSA-N 1 2 381.440 2.056 20 0 GEADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000821652295 606317805 /nfs/dbraw/zinc/31/78/05/606317805.db2.gz PKIQOWCTPPBQBJ-AEFFLSMTSA-N 1 2 393.451 2.059 20 0 GEADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000821652295 606317806 /nfs/dbraw/zinc/31/78/06/606317806.db2.gz PKIQOWCTPPBQBJ-AEFFLSMTSA-N 1 2 393.451 2.059 20 0 GEADLO C[C@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820486921 606358846 /nfs/dbraw/zinc/35/88/46/606358846.db2.gz DNAYAFAQMKLFHT-KXBFYZLASA-N 1 2 393.447 2.372 20 0 GEADLO C[C@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820486921 606358848 /nfs/dbraw/zinc/35/88/48/606358848.db2.gz DNAYAFAQMKLFHT-KXBFYZLASA-N 1 2 393.447 2.372 20 0 GEADLO CCOc1ccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)nc1 ZINC000821417845 606360906 /nfs/dbraw/zinc/36/09/06/606360906.db2.gz ULOSUEHAGVYWOF-UHFFFAOYSA-N 1 2 383.431 2.122 20 0 GEADLO FC(F)(F)c1ccc2nnc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)n2c1 ZINC000822729018 606408408 /nfs/dbraw/zinc/40/84/08/606408408.db2.gz QRRIIDGNCKSQQV-UHFFFAOYSA-N 1 2 380.359 2.280 20 0 GEADLO c1ncn(Cc2ccc(CNc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)cc2)n1 ZINC000823796978 606446308 /nfs/dbraw/zinc/44/63/08/606446308.db2.gz JLQQRDIUSXERSL-UHFFFAOYSA-N 1 2 383.419 2.089 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN(C2=NC[C@H](C)S2)CC1 ZINC000822337219 606469523 /nfs/dbraw/zinc/46/95/23/606469523.db2.gz VRWADOPDEDDQOE-ZDUSSCGKSA-N 1 2 394.508 2.337 20 0 GEADLO CC(C)C1(CNC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820031195 606613826 /nfs/dbraw/zinc/61/38/26/606613826.db2.gz BLGSUNIAZZNXPE-UHFFFAOYSA-N 1 2 383.500 2.130 20 0 GEADLO Fc1cccnc1N1CC[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000822796670 606730176 /nfs/dbraw/zinc/73/01/76/606730176.db2.gz VAWXXBPFJODKPN-LBPRGKRZSA-N 1 2 376.399 2.062 20 0 GEADLO COc1ccc(C(N)=[NH+]OCCCOc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000821778042 606837376 /nfs/dbraw/zinc/83/73/76/606837376.db2.gz SHKKKGJURIAWCQ-UHFFFAOYSA-N 1 2 398.423 2.200 20 0 GEADLO C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000821600313 606885771 /nfs/dbraw/zinc/88/57/71/606885771.db2.gz HLJOUYSORDAZPY-UHFFFAOYSA-N 1 2 391.435 2.416 20 0 GEADLO C[N@@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000821600313 606885772 /nfs/dbraw/zinc/88/57/72/606885772.db2.gz HLJOUYSORDAZPY-UHFFFAOYSA-N 1 2 391.435 2.416 20 0 GEADLO O=C(c1ccsc1)N1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823498639 606888365 /nfs/dbraw/zinc/88/83/65/606888365.db2.gz XHZUWINLYKVPTH-UHFFFAOYSA-N 1 2 398.492 2.155 20 0 GEADLO COC(=O)C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000821662495 606890068 /nfs/dbraw/zinc/89/00/68/606890068.db2.gz FOZZFTPABGGHLI-UHFFFAOYSA-N 1 2 381.436 2.311 20 0 GEADLO COC(=O)C[N@@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000821662495 606890069 /nfs/dbraw/zinc/89/00/69/606890069.db2.gz FOZZFTPABGGHLI-UHFFFAOYSA-N 1 2 381.436 2.311 20 0 GEADLO O[C@H](C[C@@H]1COCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000823674525 606915592 /nfs/dbraw/zinc/91/55/92/606915592.db2.gz RBVRBLUWKKBQGN-SJLPKXTDSA-N 1 2 399.451 2.053 20 0 GEADLO O[C@H](C[C@@H]1COCC[N@H+]1CCCOc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000823674525 606915593 /nfs/dbraw/zinc/91/55/93/606915593.db2.gz RBVRBLUWKKBQGN-SJLPKXTDSA-N 1 2 399.451 2.053 20 0 GEADLO CC[N@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000821220560 606957201 /nfs/dbraw/zinc/95/72/01/606957201.db2.gz BTNQSEPITKMICZ-UHFFFAOYSA-N 1 2 376.436 2.447 20 0 GEADLO CC[N@@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000821220560 606957203 /nfs/dbraw/zinc/95/72/03/606957203.db2.gz BTNQSEPITKMICZ-UHFFFAOYSA-N 1 2 376.436 2.447 20 0 GEADLO COc1cc(F)ccc1N1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000821720542 606972824 /nfs/dbraw/zinc/97/28/24/606972824.db2.gz UNOCWHMZQWMXHW-UHFFFAOYSA-N 1 2 386.406 2.476 20 0 GEADLO Fc1ccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1-c1nn[nH]n1 ZINC000822772282 606977840 /nfs/dbraw/zinc/97/78/40/606977840.db2.gz VNVOATKQHSEOSL-UHFFFAOYSA-N 1 2 396.455 2.333 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1)Nc1sccc1-c1nn[nH]n1 ZINC000822996800 606985683 /nfs/dbraw/zinc/98/56/83/606985683.db2.gz JJXREOXLYCGTNH-AAEUAGOBSA-N 1 2 388.453 2.048 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1)Nc1sccc1-c1nn[nH]n1 ZINC000822996800 606985685 /nfs/dbraw/zinc/98/56/85/606985685.db2.gz JJXREOXLYCGTNH-AAEUAGOBSA-N 1 2 388.453 2.048 20 0 GEADLO Fc1cccc(C[NH+]2CCN(c3c4ccccc4nnc3-c3nn[nH]n3)CC2)c1 ZINC000822786094 607037049 /nfs/dbraw/zinc/03/70/49/607037049.db2.gz CZTWKXMNGDQNJA-UHFFFAOYSA-N 1 2 390.426 2.271 20 0 GEADLO C[C@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)OC(C)(C)C ZINC000820758784 607067762 /nfs/dbraw/zinc/06/77/62/607067762.db2.gz CVVHFVXRMNFKSH-LBPRGKRZSA-N 1 2 376.436 2.447 20 0 GEADLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)OC(C)(C)C ZINC000820758784 607067764 /nfs/dbraw/zinc/06/77/64/607067764.db2.gz CVVHFVXRMNFKSH-LBPRGKRZSA-N 1 2 376.436 2.447 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](OCC(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822540439 607089481 /nfs/dbraw/zinc/08/94/81/607089481.db2.gz AVWYZDSJXDRZGL-JSGCOSHPSA-N 1 2 376.461 2.150 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](OCC(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822540439 607089482 /nfs/dbraw/zinc/08/94/82/607089482.db2.gz AVWYZDSJXDRZGL-JSGCOSHPSA-N 1 2 376.461 2.150 20 0 GEADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820339588 607096502 /nfs/dbraw/zinc/09/65/02/607096502.db2.gz DIAKOCXYENAGKQ-KEYYUXOJSA-N 1 2 380.456 2.417 20 0 GEADLO O=C(NCCC1=CCCC1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826436069 607794291 /nfs/dbraw/zinc/79/42/91/607794291.db2.gz GSLUQVOFVJNZME-UHFFFAOYSA-N 1 2 381.484 2.194 20 0 GEADLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)Cc2ccccc21 ZINC000824985355 607827194 /nfs/dbraw/zinc/82/71/94/607827194.db2.gz VVJABRBJBOFUAE-CQSZACIVSA-N 1 2 383.477 2.260 20 0 GEADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)Cc2ccccc21 ZINC000824985355 607827195 /nfs/dbraw/zinc/82/71/95/607827195.db2.gz VVJABRBJBOFUAE-CQSZACIVSA-N 1 2 383.477 2.260 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@H]1c1ccc(O)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484640 607830179 /nfs/dbraw/zinc/83/01/79/607830179.db2.gz KEROGKHGSLAVIY-SFHVURJKSA-N 1 2 399.476 2.183 20 0 GEADLO CCc1noc(C)c1NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825777198 607857814 /nfs/dbraw/zinc/85/78/14/607857814.db2.gz QHXVLMVUZNVGPD-UHFFFAOYSA-N 1 2 396.455 2.075 20 0 GEADLO Cc1cnc(CC[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)s1 ZINC000826318777 607858724 /nfs/dbraw/zinc/85/87/24/607858724.db2.gz YPEFORUQKOTYIT-UHFFFAOYSA-N 1 2 391.526 2.423 20 0 GEADLO Cc1cnc(CC[N@H+](C)CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)s1 ZINC000826318777 607858725 /nfs/dbraw/zinc/85/87/25/607858725.db2.gz YPEFORUQKOTYIT-UHFFFAOYSA-N 1 2 391.526 2.423 20 0 GEADLO c1ccc2sc(C[NH+]3CCN(c4cccc(-c5nn[nH]n5)n4)CC3)nc2c1 ZINC000826514239 607903200 /nfs/dbraw/zinc/90/32/00/607903200.db2.gz LUCCEFPVMHBMSO-UHFFFAOYSA-N 1 2 378.465 2.194 20 0 GEADLO CCOC(=O)c1ccc(-c2nn[nH]n2)c(SCc2cc(OC)cc(C)[nH+]2)n1 ZINC000825559875 607931843 /nfs/dbraw/zinc/93/18/43/607931843.db2.gz KQOMFPOQLZYXMR-UHFFFAOYSA-N 1 2 386.437 2.443 20 0 GEADLO COc1ccc(CC(N)=[NH+]OCc2ccc(OC)c(-c3nn[nH]n3)c2)cc1OC ZINC000826191722 607972792 /nfs/dbraw/zinc/97/27/92/607972792.db2.gz OCGNJVWFOXHIGN-UHFFFAOYSA-N 1 2 398.423 2.134 20 0 GEADLO COCC1([N@H+](C)CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)CC1 ZINC000826152743 608043354 /nfs/dbraw/zinc/04/33/54/608043354.db2.gz LWICJSLCLHHRIV-UHFFFAOYSA-N 1 2 390.513 2.246 20 0 GEADLO COCC1([N@@H+](C)CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)CC1 ZINC000826152743 608043355 /nfs/dbraw/zinc/04/33/55/608043355.db2.gz LWICJSLCLHHRIV-UHFFFAOYSA-N 1 2 390.513 2.246 20 0 GEADLO COc1ccc(COCC[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826206674 608068116 /nfs/dbraw/zinc/06/81/16/608068116.db2.gz GQSYINSIMAPMJI-FQEVSTJZSA-N 1 2 395.463 2.465 20 0 GEADLO COc1ccc(COCC[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826206674 608068117 /nfs/dbraw/zinc/06/81/17/608068117.db2.gz GQSYINSIMAPMJI-FQEVSTJZSA-N 1 2 395.463 2.465 20 0 GEADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825776908 608068912 /nfs/dbraw/zinc/06/89/12/608068912.db2.gz NBVUAGVJDBTBHJ-SFHVURJKSA-N 1 2 397.435 2.382 20 0 GEADLO CCc1oc(C(=O)OC)cc1C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825776908 608068913 /nfs/dbraw/zinc/06/89/13/608068913.db2.gz NBVUAGVJDBTBHJ-SFHVURJKSA-N 1 2 397.435 2.382 20 0 GEADLO c1ccc2c(c1)OC[C@H](C[N@@H+]1CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C1)O2 ZINC000826513886 608071285 /nfs/dbraw/zinc/07/12/85/608071285.db2.gz ZGCVDMKASFTOTA-LPHOPBHVSA-N 1 2 379.420 2.080 20 0 GEADLO c1ccc2c(c1)OC[C@H](C[N@H+]1CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C1)O2 ZINC000826513886 608071286 /nfs/dbraw/zinc/07/12/86/608071286.db2.gz ZGCVDMKASFTOTA-LPHOPBHVSA-N 1 2 379.420 2.080 20 0 GEADLO C[N@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)c(F)c1 ZINC000825893015 608105815 /nfs/dbraw/zinc/10/58/15/608105815.db2.gz ZCYCAECAHNVKNK-UHFFFAOYSA-N 1 2 388.834 2.407 20 0 GEADLO C[N@@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)c(F)c1 ZINC000825893015 608105816 /nfs/dbraw/zinc/10/58/16/608105816.db2.gz ZCYCAECAHNVKNK-UHFFFAOYSA-N 1 2 388.834 2.407 20 0 GEADLO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 ZINC000825399629 608157649 /nfs/dbraw/zinc/15/76/49/608157649.db2.gz ZUYRVRDMLUTPOQ-MOPGFXCFSA-N 1 2 395.463 2.445 20 0 GEADLO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 ZINC000825399629 608157651 /nfs/dbraw/zinc/15/76/51/608157651.db2.gz ZUYRVRDMLUTPOQ-MOPGFXCFSA-N 1 2 395.463 2.445 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)c(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000826273676 608284560 /nfs/dbraw/zinc/28/45/60/608284560.db2.gz PBPDISRSQHTHTF-HNNXBMFYSA-N 1 2 385.497 2.141 20 0 GEADLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)[nH]n1 ZINC000826265627 608384577 /nfs/dbraw/zinc/38/45/77/608384577.db2.gz HNBWSHMENQZBTF-ZDUSSCGKSA-N 1 2 380.456 2.105 20 0 GEADLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)n[nH]1 ZINC000826265627 608384579 /nfs/dbraw/zinc/38/45/79/608384579.db2.gz HNBWSHMENQZBTF-ZDUSSCGKSA-N 1 2 380.456 2.105 20 0 GEADLO CCn1cnnc1[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000825804740 608408394 /nfs/dbraw/zinc/40/83/94/608408394.db2.gz FTDKHISHAVMDAR-CYBMUJFWSA-N 1 2 375.440 2.410 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(-c2nn[nH]n2)c1C ZINC000826342101 608454267 /nfs/dbraw/zinc/45/42/67/608454267.db2.gz YDASXSFXKVJQCP-ZLDLUXBVSA-N 1 2 398.471 2.183 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(-c2nn[nH]n2)c1C ZINC000826342101 608454270 /nfs/dbraw/zinc/45/42/70/608454270.db2.gz YDASXSFXKVJQCP-ZLDLUXBVSA-N 1 2 398.471 2.183 20 0 GEADLO CCc1nn(C)c(CC)c1C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825755361 608502409 /nfs/dbraw/zinc/50/24/09/608502409.db2.gz VMCQXKIKZNLZBK-UHFFFAOYSA-N 1 2 394.527 2.043 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000826169265 608563154 /nfs/dbraw/zinc/56/31/54/608563154.db2.gz MSASEVDHHSRNBW-UHFFFAOYSA-N 1 2 384.406 2.334 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000826169265 608563156 /nfs/dbraw/zinc/56/31/56/608563156.db2.gz MSASEVDHHSRNBW-UHFFFAOYSA-N 1 2 384.406 2.334 20 0 GEADLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c(C(C)(C)C)n1 ZINC000826361172 608590340 /nfs/dbraw/zinc/59/03/40/608590340.db2.gz OBNCNSLPVIJOAW-KRWDZBQOSA-N 1 2 381.484 2.471 20 0 GEADLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c(C(C)(C)C)n1 ZINC000826361172 608590343 /nfs/dbraw/zinc/59/03/43/608590343.db2.gz OBNCNSLPVIJOAW-KRWDZBQOSA-N 1 2 381.484 2.471 20 0 GEADLO C[C@H]1C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@H](c2ccccc2)O1 ZINC000824992683 608633076 /nfs/dbraw/zinc/63/30/76/608633076.db2.gz NNJOJOIQPMVIIK-KBXCAEBGSA-N 1 2 375.436 2.476 20 0 GEADLO C[C@H]1C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@H](c2ccccc2)O1 ZINC000824992683 608633079 /nfs/dbraw/zinc/63/30/79/608633079.db2.gz NNJOJOIQPMVIIK-KBXCAEBGSA-N 1 2 375.436 2.476 20 0 GEADLO CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000823966816 608737433 /nfs/dbraw/zinc/73/74/33/608737433.db2.gz AXVCXDSANNDJAB-CQSZACIVSA-N 1 2 399.455 2.194 20 0 GEADLO CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000823966816 608737437 /nfs/dbraw/zinc/73/74/37/608737437.db2.gz AXVCXDSANNDJAB-CQSZACIVSA-N 1 2 399.455 2.194 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000824999640 608834260 /nfs/dbraw/zinc/83/42/60/608834260.db2.gz IRSBHYZMTRVRGZ-LLVKDONJSA-N 1 2 388.838 2.160 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000824999640 608834262 /nfs/dbraw/zinc/83/42/62/608834262.db2.gz IRSBHYZMTRVRGZ-LLVKDONJSA-N 1 2 388.838 2.160 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cscc1Cl ZINC000825001370 608839925 /nfs/dbraw/zinc/83/99/25/608839925.db2.gz ZZNFAWCHCKWISO-JTQLQIEISA-N 1 2 376.877 2.082 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cscc1Cl ZINC000825001370 608839927 /nfs/dbraw/zinc/83/99/27/608839927.db2.gz ZZNFAWCHCKWISO-JTQLQIEISA-N 1 2 376.877 2.082 20 0 GEADLO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826466842 609258331 /nfs/dbraw/zinc/25/83/31/609258331.db2.gz VWOSVLOGQBMHQV-KRWDZBQOSA-N 1 2 389.419 2.227 20 0 GEADLO COc1cc(C)[nH+]c(CNc2ccc(N3CCC(O)CC3)c(-c3nn[nH]n3)c2)c1 ZINC000826178760 609261553 /nfs/dbraw/zinc/26/15/53/609261553.db2.gz LCXWNGKJPNTDKX-UHFFFAOYSA-N 1 2 395.467 2.152 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC(CC(=O)N(C)C)CC1 ZINC000826304619 609311845 /nfs/dbraw/zinc/31/18/45/609311845.db2.gz RWXWCVMIKMYKDQ-UHFFFAOYSA-N 1 2 379.468 2.418 20 0 GEADLO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000823820556 609358045 /nfs/dbraw/zinc/35/80/45/609358045.db2.gz HNDKYRBFOMCJBB-CQSZACIVSA-N 1 2 394.273 2.357 20 0 GEADLO Brc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000823820556 609358048 /nfs/dbraw/zinc/35/80/48/609358048.db2.gz HNDKYRBFOMCJBB-CQSZACIVSA-N 1 2 394.273 2.357 20 0 GEADLO CCC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825034766 609359374 /nfs/dbraw/zinc/35/93/74/609359374.db2.gz OVDSSHIRIJFYEQ-UHFFFAOYSA-N 1 2 393.289 2.074 20 0 GEADLO CCC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825034766 609359375 /nfs/dbraw/zinc/35/93/75/609359375.db2.gz OVDSSHIRIJFYEQ-UHFFFAOYSA-N 1 2 393.289 2.074 20 0 GEADLO NC(Cc1ccccc1)=[NH+]O[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826393864 609430510 /nfs/dbraw/zinc/43/05/10/609430510.db2.gz MSHFJUHYLCARSH-QGZVFWFLSA-N 1 2 391.435 2.103 20 0 GEADLO c1ccc(C[N@@H+]2CCO[C@@H](c3noc(-c4cccc(-c5nn[nH]n5)c4)n3)C2)cc1 ZINC000826521319 609475668 /nfs/dbraw/zinc/47/56/68/609475668.db2.gz IDEOAENMSYSPNL-QGZVFWFLSA-N 1 2 389.419 2.490 20 0 GEADLO c1ccc(C[N@H+]2CCO[C@@H](c3noc(-c4cccc(-c5nn[nH]n5)c4)n3)C2)cc1 ZINC000826521319 609475671 /nfs/dbraw/zinc/47/56/71/609475671.db2.gz IDEOAENMSYSPNL-QGZVFWFLSA-N 1 2 389.419 2.490 20 0 GEADLO Cc1ccnc(NCCC[NH+]2CCN(Cc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826313826 609533170 /nfs/dbraw/zinc/53/31/70/609533170.db2.gz VFAFKIUFDNTOTC-UHFFFAOYSA-N 1 2 392.511 2.190 20 0 GEADLO Cc1ccnc(NCCCN2CC[NH+](Cc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826313826 609533173 /nfs/dbraw/zinc/53/31/73/609533173.db2.gz VFAFKIUFDNTOTC-UHFFFAOYSA-N 1 2 392.511 2.190 20 0 GEADLO Cc1ccnc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c1-c1nn[nH]n1 ZINC000826311069 609551121 /nfs/dbraw/zinc/55/11/21/609551121.db2.gz RZERWHHUHHZWJT-MRXNPFEDSA-N 1 2 399.886 2.079 20 0 GEADLO CCc1nc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cs1 ZINC000825744874 609599425 /nfs/dbraw/zinc/59/94/25/609599425.db2.gz GJQNNYKATXDSGE-HNNXBMFYSA-N 1 2 383.481 2.171 20 0 GEADLO O=C(NCCn1cc[nH+]c1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000447963489 650012092 /nfs/dbraw/zinc/01/20/92/650012092.db2.gz JZNVDFANHKTNBE-UHFFFAOYSA-N 1 2 391.229 2.195 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000448972913 650027912 /nfs/dbraw/zinc/02/79/12/650027912.db2.gz WQMWIDMGOJDREF-UHFFFAOYSA-N 1 2 378.270 2.402 20 0 GEADLO C[C@H](C[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449026318 650030072 /nfs/dbraw/zinc/03/00/72/650030072.db2.gz FKAWXJIOCKNOLY-FHLIZLRMSA-N 1 2 387.567 2.481 20 0 GEADLO C[C@H](C[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449026318 650030073 /nfs/dbraw/zinc/03/00/73/650030073.db2.gz FKAWXJIOCKNOLY-FHLIZLRMSA-N 1 2 387.567 2.481 20 0 GEADLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000449410042 650040232 /nfs/dbraw/zinc/04/02/32/650040232.db2.gz SYLRZUQNAMZVKC-VWLOTQADSA-N 1 2 381.523 2.414 20 0 GEADLO CS(=O)(=O)NCCCNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450242840 650062838 /nfs/dbraw/zinc/06/28/38/650062838.db2.gz JYEFEPGVBAAALZ-UHFFFAOYSA-N 1 2 376.251 2.488 20 0 GEADLO CS[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)C[C@@H]1[NH+](C)C ZINC000450265072 650063128 /nfs/dbraw/zinc/06/31/28/650063128.db2.gz ICLPWEBJCUMZPH-AAEUAGOBSA-N 1 2 377.279 2.411 20 0 GEADLO C[C@H](O)C(=O)N1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450408620 650064849 /nfs/dbraw/zinc/06/48/49/650064849.db2.gz JEXYRGQINWJSHH-JTQLQIEISA-N 1 2 382.233 2.166 20 0 GEADLO COC[C@@]1(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)CCOC1 ZINC000450595255 650067736 /nfs/dbraw/zinc/06/77/36/650067736.db2.gz KDZKWXZHPMAAFQ-KRWDZBQOSA-N 1 2 396.285 2.117 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Cl)c(Br)cc2F)CC[N@@H+]1CCO ZINC000450812253 650070980 /nfs/dbraw/zinc/07/09/80/650070980.db2.gz NCVIBXYTCQLZJQ-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Cl)c(Br)cc2F)CC[N@H+]1CCO ZINC000450812253 650070981 /nfs/dbraw/zinc/07/09/81/650070981.db2.gz NCVIBXYTCQLZJQ-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)C[C@H]1CCCC1(F)F)[NH+]1CCOCC1 ZINC000451026858 650081311 /nfs/dbraw/zinc/08/13/11/650081311.db2.gz GNLSHFCSJINCPW-HZPDHXFCSA-N 1 2 382.517 2.478 20 0 GEADLO O=C(C[N@H+]1CC[C@H](F)C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000451191424 650095195 /nfs/dbraw/zinc/09/51/95/650095195.db2.gz RKADUMNKZQEQBD-LBPRGKRZSA-N 1 2 390.322 2.199 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](F)C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000451191424 650095197 /nfs/dbraw/zinc/09/51/97/650095197.db2.gz RKADUMNKZQEQBD-LBPRGKRZSA-N 1 2 390.322 2.199 20 0 GEADLO COc1cc(C(F)(F)F)cc(S(=O)(=O)NCCNc2cccc[nH+]2)c1 ZINC000451318656 650103468 /nfs/dbraw/zinc/10/34/68/650103468.db2.gz MFONEVLDBJRYHF-UHFFFAOYSA-N 1 2 375.372 2.499 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000451341592 650105175 /nfs/dbraw/zinc/10/51/75/650105175.db2.gz DQEWUYDTFKPRRS-OAHLLOKOSA-N 1 2 382.517 2.432 20 0 GEADLO Cc1csc(S(=O)(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000451341776 650105415 /nfs/dbraw/zinc/10/54/15/650105415.db2.gz LTLJHLCIDURDET-SJORKVTESA-N 1 2 380.535 2.218 20 0 GEADLO Cc1csc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000451341776 650105418 /nfs/dbraw/zinc/10/54/18/650105418.db2.gz LTLJHLCIDURDET-SJORKVTESA-N 1 2 380.535 2.218 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)CC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000451457959 650116364 /nfs/dbraw/zinc/11/63/64/650116364.db2.gz MLZSDESLPCJSIP-GUYCJALGSA-N 1 2 387.318 2.144 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)CC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000451457959 650116366 /nfs/dbraw/zinc/11/63/66/650116366.db2.gz MLZSDESLPCJSIP-GUYCJALGSA-N 1 2 387.318 2.144 20 0 GEADLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000451939230 650155625 /nfs/dbraw/zinc/15/56/25/650155625.db2.gz YSEJDCBBQSQSAV-GFCCVEGCSA-N 1 2 381.420 2.128 20 0 GEADLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000451939230 650155629 /nfs/dbraw/zinc/15/56/29/650155629.db2.gz YSEJDCBBQSQSAV-GFCCVEGCSA-N 1 2 381.420 2.128 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC000452082973 650171760 /nfs/dbraw/zinc/17/17/60/650171760.db2.gz GNEDHVVATAGQAJ-UHFFFAOYSA-N 1 2 388.555 2.023 20 0 GEADLO Cc1nc(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)sc1Br ZINC000454161940 650256962 /nfs/dbraw/zinc/25/69/62/650256962.db2.gz GSRZYGKGKJEHQE-UHFFFAOYSA-N 1 2 391.335 2.124 20 0 GEADLO C[C@@H](CNC(=O)NCCOc1ccc(Cl)c(Cl)c1)[NH+]1CCOCC1 ZINC000454243675 650260300 /nfs/dbraw/zinc/26/03/00/650260300.db2.gz INUKUVCHZLWXRH-LBPRGKRZSA-N 1 2 376.284 2.392 20 0 GEADLO C[C@@H](CNC(=O)NC/C=C/c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000454244564 650260367 /nfs/dbraw/zinc/26/03/67/650260367.db2.gz JYZFQBRICVBRAK-HSWBROFVSA-N 1 2 382.302 2.482 20 0 GEADLO CC[C@H](C)[NH+]1CCN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000454566220 650270841 /nfs/dbraw/zinc/27/08/41/650270841.db2.gz OONXXBINSDLDAL-AWEZNQCLSA-N 1 2 387.933 2.239 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000455201396 650294877 /nfs/dbraw/zinc/29/48/77/650294877.db2.gz LEDTYIIHHAREIR-WFASDCNBSA-N 1 2 392.253 2.239 20 0 GEADLO Cn1cc(Br)c(CNC(=O)NCCCCNc2cccc[nH+]2)n1 ZINC000455377055 650301480 /nfs/dbraw/zinc/30/14/80/650301480.db2.gz OZMSFAVNAFEBHE-UHFFFAOYSA-N 1 2 381.278 2.269 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CCO1 ZINC000455704922 650313623 /nfs/dbraw/zinc/31/36/23/650313623.db2.gz OCYWCXJJWIQLHB-NWDGAFQWSA-N 1 2 380.436 2.465 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CCO1 ZINC000455704922 650313627 /nfs/dbraw/zinc/31/36/27/650313627.db2.gz OCYWCXJJWIQLHB-NWDGAFQWSA-N 1 2 380.436 2.465 20 0 GEADLO O=C(Nc1cccc2c(Br)ccnc12)N1CC[NH+](CCO)CC1 ZINC000455902120 650325458 /nfs/dbraw/zinc/32/54/58/650325458.db2.gz PMROHAGDFLHAHS-UHFFFAOYSA-N 1 2 379.258 2.139 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)C[C@H]21 ZINC000456072449 650329647 /nfs/dbraw/zinc/32/96/47/650329647.db2.gz SSTQMXZGPASRFE-HZMVEIRTSA-N 1 2 379.298 2.484 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)C[C@H]21 ZINC000456072449 650329650 /nfs/dbraw/zinc/32/96/50/650329650.db2.gz SSTQMXZGPASRFE-HZMVEIRTSA-N 1 2 379.298 2.484 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456710550 650356412 /nfs/dbraw/zinc/35/64/12/650356412.db2.gz GFDNTLOQILNXSU-GFCCVEGCSA-N 1 2 384.249 2.130 20 0 GEADLO Cc1sc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc1CS(C)(=O)=O ZINC000457012597 650370752 /nfs/dbraw/zinc/37/07/52/650370752.db2.gz GLRAVTDYXZANOD-INIZCTEOSA-N 1 2 378.519 2.388 20 0 GEADLO C[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)Oc1ccccc1Br ZINC000458510348 650404597 /nfs/dbraw/zinc/40/45/97/650404597.db2.gz PSNQRNXUEXJOPS-GFCCVEGCSA-N 1 2 381.274 2.492 20 0 GEADLO CC[C@@H](NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)[C@@H](C)O ZINC000458685821 650407628 /nfs/dbraw/zinc/40/76/28/650407628.db2.gz ZCIKVYSIJKRCLL-BXUZGUMPSA-N 1 2 383.290 2.406 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC000503562660 650419886 /nfs/dbraw/zinc/41/98/86/650419886.db2.gz PABZXRHTOFLLMF-UHFFFAOYSA-N 1 2 386.271 2.123 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N(CCO)Cc2cc(Br)ccc2F)c1 ZINC000459169852 650420504 /nfs/dbraw/zinc/42/05/04/650420504.db2.gz GXJZKKWXYFZCMT-UHFFFAOYSA-N 1 2 399.264 2.068 20 0 GEADLO CCN(C1CC[NH+](Cc2cccc(O)c2Br)CC1)S(C)(=O)=O ZINC000459349913 650423172 /nfs/dbraw/zinc/42/31/72/650423172.db2.gz NURKGJPMARFJLS-UHFFFAOYSA-N 1 2 391.331 2.401 20 0 GEADLO Cn1cc(N2CCC[C@@H]([NH2+]Cc3cccc(O)c3Br)C2=O)cn1 ZINC000459411961 650424097 /nfs/dbraw/zinc/42/40/97/650424097.db2.gz MGBOSLQZIDDLGT-CYBMUJFWSA-N 1 2 379.258 2.173 20 0 GEADLO C[C@H]([NH2+]CC(=O)Nc1ccccc1I)c1ccn(C)n1 ZINC000459801174 650432826 /nfs/dbraw/zinc/43/28/26/650432826.db2.gz XJEJCJAUHAISSH-JTQLQIEISA-N 1 2 384.221 2.314 20 0 GEADLO CC[N@H+](CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 ZINC000505402503 650437329 /nfs/dbraw/zinc/43/73/29/650437329.db2.gz JMWDQTUULHWBQL-UHFFFAOYSA-N 1 2 380.495 2.367 20 0 GEADLO CC[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 ZINC000505402503 650437334 /nfs/dbraw/zinc/43/73/34/650437334.db2.gz JMWDQTUULHWBQL-UHFFFAOYSA-N 1 2 380.495 2.367 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000462083447 650466486 /nfs/dbraw/zinc/46/64/86/650466486.db2.gz HJCZAXBWTCSXKQ-NSHDSACASA-N 1 2 386.461 2.402 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000462083447 650466488 /nfs/dbraw/zinc/46/64/88/650466488.db2.gz HJCZAXBWTCSXKQ-NSHDSACASA-N 1 2 386.461 2.402 20 0 GEADLO Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000507961742 650470722 /nfs/dbraw/zinc/47/07/22/650470722.db2.gz MJUCGQDJTMYMQB-LLVKDONJSA-N 1 2 398.330 2.217 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000507964339 650470843 /nfs/dbraw/zinc/47/08/43/650470843.db2.gz JQUPSEHFLQEUIT-ZJUUUORDSA-N 1 2 377.869 2.151 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1Cl ZINC000507964339 650470845 /nfs/dbraw/zinc/47/08/45/650470845.db2.gz JQUPSEHFLQEUIT-ZJUUUORDSA-N 1 2 377.869 2.151 20 0 GEADLO C[NH+]1CCN(C(=O)c2cc(NCc3ccccc3Br)ccn2)CC1 ZINC000508473235 650481191 /nfs/dbraw/zinc/48/11/91/650481191.db2.gz UEPMQOVTIXYWBL-UHFFFAOYSA-N 1 2 389.297 2.266 20 0 GEADLO C[C@@H]1c2cccc(Br)c2CCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000509227493 650490657 /nfs/dbraw/zinc/49/06/57/650490657.db2.gz NJEHMINXUXGQGM-CHWSQXEVSA-N 1 2 382.302 2.408 20 0 GEADLO C[C@@H]1c2cccc(Br)c2CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000509227493 650490659 /nfs/dbraw/zinc/49/06/59/650490659.db2.gz NJEHMINXUXGQGM-CHWSQXEVSA-N 1 2 382.302 2.408 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCc1cc(Cl)cc(Cl)c1 ZINC000463349683 650494039 /nfs/dbraw/zinc/49/40/39/650494039.db2.gz HGFKVDYXSUIHAH-UHFFFAOYSA-N 1 2 381.325 2.178 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000468790591 650507235 /nfs/dbraw/zinc/50/72/35/650507235.db2.gz BYKUJVVHUUILGM-ZDUSSCGKSA-N 1 2 395.297 2.404 20 0 GEADLO Cc1cc(Br)ccc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000472600353 650520980 /nfs/dbraw/zinc/52/09/80/650520980.db2.gz KJFDZDFTQJOKSC-UHFFFAOYSA-N 1 2 379.345 2.085 20 0 GEADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510901777 650521023 /nfs/dbraw/zinc/52/10/23/650521023.db2.gz ISYMGGIIDDWXBQ-GHMZBOCLSA-N 1 2 378.420 2.251 20 0 GEADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510901777 650521024 /nfs/dbraw/zinc/52/10/24/650521024.db2.gz ISYMGGIIDDWXBQ-GHMZBOCLSA-N 1 2 378.420 2.251 20 0 GEADLO O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000473992885 650526314 /nfs/dbraw/zinc/52/63/14/650526314.db2.gz GBTYVZMOJMGUEP-HNNXBMFYSA-N 1 2 387.307 2.486 20 0 GEADLO O=C(c1sccc1Br)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000473983519 650526361 /nfs/dbraw/zinc/52/63/61/650526361.db2.gz RURIMUIFLJYNBV-GFCCVEGCSA-N 1 2 389.315 2.074 20 0 GEADLO O=C(c1csc(Br)c1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000473994682 650526686 /nfs/dbraw/zinc/52/66/86/650526686.db2.gz KHMIQCPFCMDDKN-CYBMUJFWSA-N 1 2 389.315 2.074 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)[C@H](C)C1 ZINC000511306050 650532873 /nfs/dbraw/zinc/53/28/73/650532873.db2.gz IESFZCCUUNWBFU-GFCCVEGCSA-N 1 2 391.331 2.481 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)[C@H](C)C1 ZINC000511306050 650532875 /nfs/dbraw/zinc/53/28/75/650532875.db2.gz IESFZCCUUNWBFU-GFCCVEGCSA-N 1 2 391.331 2.481 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000475475495 650534021 /nfs/dbraw/zinc/53/40/21/650534021.db2.gz ZETSXVKQAZMFLR-UHFFFAOYSA-N 1 2 391.200 2.491 20 0 GEADLO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H](C)[S@]1=O ZINC000512449556 650549162 /nfs/dbraw/zinc/54/91/62/650549162.db2.gz IMRVVWMKLBWQEE-AXWNUGKVSA-N 1 2 390.343 2.420 20 0 GEADLO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H](C)[S@]1=O ZINC000512449556 650549164 /nfs/dbraw/zinc/54/91/64/650549164.db2.gz IMRVVWMKLBWQEE-AXWNUGKVSA-N 1 2 390.343 2.420 20 0 GEADLO COc1ccc(Cl)cc1CS(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000513081108 650557732 /nfs/dbraw/zinc/55/77/32/650557732.db2.gz PPAJGJJLLCSSFD-OAHLLOKOSA-N 1 2 381.885 2.442 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000516211491 650595510 /nfs/dbraw/zinc/59/55/10/650595510.db2.gz YNBVTAKBYUJWQF-RKFFSXRUSA-N 1 2 399.365 2.102 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000516211491 650595514 /nfs/dbraw/zinc/59/55/14/650595514.db2.gz YNBVTAKBYUJWQF-RKFFSXRUSA-N 1 2 399.365 2.102 20 0 GEADLO O=C(NCCn1cc[nH+]c1)c1ccc2cc(I)ccc2n1 ZINC000479727533 650608874 /nfs/dbraw/zinc/60/88/74/650608874.db2.gz AQBHXUSBBLBFPQ-UHFFFAOYSA-N 1 2 392.200 2.466 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)CCCOc2cccc(Br)c2)CCO1 ZINC000523440229 650635043 /nfs/dbraw/zinc/63/50/43/650635043.db2.gz ZRMTVWQXTVFTJY-AWEZNQCLSA-N 1 2 385.302 2.445 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)CCCOc2cccc(Br)c2)CCO1 ZINC000523440229 650635046 /nfs/dbraw/zinc/63/50/46/650635046.db2.gz ZRMTVWQXTVFTJY-AWEZNQCLSA-N 1 2 385.302 2.445 20 0 GEADLO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CC(n2cc[nH+]c2)C1 ZINC000524400180 650640884 /nfs/dbraw/zinc/64/08/84/650640884.db2.gz NGOYPSGPVVNLMH-CYBMUJFWSA-N 1 2 389.253 2.082 20 0 GEADLO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC(n2cc[nH+]c2)C1 ZINC000524399396 650640894 /nfs/dbraw/zinc/64/08/94/650640894.db2.gz XRCPOQFSVMEPQY-HNNXBMFYSA-N 1 2 389.253 2.082 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCc1cc(Br)ccc1F ZINC000524597036 650643510 /nfs/dbraw/zinc/64/35/10/650643510.db2.gz HSEKGNLFTVWPBH-LBPRGKRZSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCc1cc(Br)ccc1F ZINC000524597036 650643514 /nfs/dbraw/zinc/64/35/14/650643514.db2.gz HSEKGNLFTVWPBH-LBPRGKRZSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000481351551 650644976 /nfs/dbraw/zinc/64/49/76/650644976.db2.gz GHYUIFRPZZUPDZ-LBPRGKRZSA-N 1 2 394.273 2.362 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000525400755 650654346 /nfs/dbraw/zinc/65/43/46/650654346.db2.gz YTKOLVINNIWNCU-GDBMZVCRSA-N 1 2 387.571 2.207 20 0 GEADLO C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000481853729 650654648 /nfs/dbraw/zinc/65/46/48/650654648.db2.gz YGJMHDYNSPBSJQ-CHWSQXEVSA-N 1 2 388.559 2.272 20 0 GEADLO C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000481853729 650654651 /nfs/dbraw/zinc/65/46/51/650654651.db2.gz YGJMHDYNSPBSJQ-CHWSQXEVSA-N 1 2 388.559 2.272 20 0 GEADLO CC[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481916231 650656076 /nfs/dbraw/zinc/65/60/76/650656076.db2.gz NCXBFIZNFLELPC-ZDUSSCGKSA-N 1 2 383.905 2.027 20 0 GEADLO C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000483291052 650676073 /nfs/dbraw/zinc/67/60/73/650676073.db2.gz JEZUELJZZOQDQB-NOZJJQNGSA-N 1 2 393.228 2.138 20 0 GEADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000483291052 650676076 /nfs/dbraw/zinc/67/60/76/650676076.db2.gz JEZUELJZZOQDQB-NOZJJQNGSA-N 1 2 393.228 2.138 20 0 GEADLO O=C(CSc1ccccc1Cl)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000483597721 650680233 /nfs/dbraw/zinc/68/02/33/650680233.db2.gz AKIXTWYJUDXRGT-OAHLLOKOSA-N 1 2 384.929 2.382 20 0 GEADLO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000484258236 650686640 /nfs/dbraw/zinc/68/66/40/650686640.db2.gz IOKSCSOPVWXOPH-SECBINFHSA-N 1 2 383.235 2.268 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000528302831 650687918 /nfs/dbraw/zinc/68/79/18/650687918.db2.gz VIRYMDLMMVSFOJ-UHFFFAOYSA-N 1 2 382.404 2.309 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000528359157 650690728 /nfs/dbraw/zinc/69/07/28/650690728.db2.gz NZDPTEZQLBTWEB-WDEREUQCSA-N 1 2 382.404 2.307 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000528359157 650690730 /nfs/dbraw/zinc/69/07/30/650690730.db2.gz NZDPTEZQLBTWEB-WDEREUQCSA-N 1 2 382.404 2.307 20 0 GEADLO COCC[N@H+](CCCS(=O)(=O)N(C)C)Cc1sccc1Br ZINC000484875484 650690394 /nfs/dbraw/zinc/69/03/94/650690394.db2.gz ANPFMEXEUOMKCW-UHFFFAOYSA-N 1 2 399.376 2.241 20 0 GEADLO COCC[N@@H+](CCCS(=O)(=O)N(C)C)Cc1sccc1Br ZINC000484875484 650690396 /nfs/dbraw/zinc/69/03/96/650690396.db2.gz ANPFMEXEUOMKCW-UHFFFAOYSA-N 1 2 399.376 2.241 20 0 GEADLO Cc1ccc(Br)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529751806 650706314 /nfs/dbraw/zinc/70/63/14/650706314.db2.gz JKSQEIHZDJLDGH-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1ccc(Br)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529751806 650706316 /nfs/dbraw/zinc/70/63/16/650706316.db2.gz JKSQEIHZDJLDGH-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO O=C(CCSc1cccc(Cl)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000486434587 650713285 /nfs/dbraw/zinc/71/32/85/650713285.db2.gz XRXGJBVHTKQWAK-UHFFFAOYSA-N 1 2 379.917 2.258 20 0 GEADLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2nccn3nnnc23)CC1 ZINC000530901427 650730776 /nfs/dbraw/zinc/73/07/76/650730776.db2.gz IUPBPUAYTUWLQW-LBPRGKRZSA-N 1 2 388.273 2.165 20 0 GEADLO Cc1cccn2cc(CC(=O)Nc3cc(Br)cn(C)c3=O)[nH+]c12 ZINC000531193111 650736211 /nfs/dbraw/zinc/73/62/11/650736211.db2.gz ZIAWSPDOVJADKQ-UHFFFAOYSA-N 1 2 375.226 2.285 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000012953287 642373914 /nfs/dbraw/zinc/37/39/14/642373914.db2.gz JHUIPMDLWALJQT-CQSZACIVSA-N 1 2 389.901 2.257 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000012953287 642373922 /nfs/dbraw/zinc/37/39/22/642373922.db2.gz JHUIPMDLWALJQT-CQSZACIVSA-N 1 2 389.901 2.257 20 0 GEADLO CNc1nnc(SCC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)s1 ZINC000026681828 642437055 /nfs/dbraw/zinc/43/70/55/642437055.db2.gz OCDFPJQCYHOEPK-UHFFFAOYSA-N 1 2 377.539 2.325 20 0 GEADLO O=[N+]([O-])c1ccc(NC(=S)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000041746067 642531393 /nfs/dbraw/zinc/53/13/93/642531393.db2.gz GILKXGJYKKGOLS-INIZCTEOSA-N 1 2 382.511 2.089 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1csc(-c2ccc(OC)cc2)n1 ZINC000533377544 650760380 /nfs/dbraw/zinc/76/03/80/650760380.db2.gz JCJYLZKTMRPOJL-OAHLLOKOSA-N 1 2 381.523 2.332 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1csc(-c2ccc(OC)cc2)n1 ZINC000533377544 650760381 /nfs/dbraw/zinc/76/03/81/650760381.db2.gz JCJYLZKTMRPOJL-OAHLLOKOSA-N 1 2 381.523 2.332 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000533381881 650760547 /nfs/dbraw/zinc/76/05/47/650760547.db2.gz GGGVQZDJUPGZPY-LBPRGKRZSA-N 1 2 382.507 2.202 20 0 GEADLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000042641489 642554412 /nfs/dbraw/zinc/55/44/12/642554412.db2.gz SVAZAWIHDDEJOK-KGLIPLIRSA-N 1 2 387.571 2.184 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000533381881 650760550 /nfs/dbraw/zinc/76/05/50/650760550.db2.gz GGGVQZDJUPGZPY-LBPRGKRZSA-N 1 2 382.507 2.202 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cc3cc4c(c(Br)c3)OCO4)CC2)cn1 ZINC000533415046 650760813 /nfs/dbraw/zinc/76/08/13/650760813.db2.gz YEHHJCQIRDZGSC-UHFFFAOYSA-N 1 2 393.285 2.229 20 0 GEADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000046052781 642602644 /nfs/dbraw/zinc/60/26/44/642602644.db2.gz URZSHYKSASIXHD-UHFFFAOYSA-N 1 2 382.302 2.122 20 0 GEADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000046052781 642602652 /nfs/dbraw/zinc/60/26/52/642602652.db2.gz URZSHYKSASIXHD-UHFFFAOYSA-N 1 2 382.302 2.122 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](CC(N)=O)C1CCCC1)c1ccc(Br)cc1 ZINC000047274206 642627060 /nfs/dbraw/zinc/62/70/60/642627060.db2.gz LUOUFFMCQCWECO-GFCCVEGCSA-N 1 2 382.302 2.356 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](CC(N)=O)C1CCCC1)c1ccc(Br)cc1 ZINC000047274206 642627063 /nfs/dbraw/zinc/62/70/63/642627063.db2.gz LUOUFFMCQCWECO-GFCCVEGCSA-N 1 2 382.302 2.356 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccc(Br)cc1Cl ZINC000048598931 642655885 /nfs/dbraw/zinc/65/58/85/642655885.db2.gz JRTPSSHCFIRJFX-UHFFFAOYSA-N 1 2 385.649 2.444 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000534404081 650774282 /nfs/dbraw/zinc/77/42/82/650774282.db2.gz BUWDZGIVWKVBBK-UHFFFAOYSA-N 1 2 378.897 2.458 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCCNc2cccc[nH+]2)ccc1Br ZINC000049017244 642665655 /nfs/dbraw/zinc/66/56/55/642665655.db2.gz XZEGTXOIDLDCJN-UHFFFAOYSA-N 1 2 377.242 2.319 20 0 GEADLO O=S(=O)(NCC[NH+]1CCC1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000491598451 650787705 /nfs/dbraw/zinc/78/77/05/650787705.db2.gz GWBXTLVIZBHCKQ-HNNXBMFYSA-N 1 2 388.917 2.272 20 0 GEADLO CC(C)C[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000059419512 642831650 /nfs/dbraw/zinc/83/16/50/642831650.db2.gz QNLPYALTQMUUNC-UHFFFAOYSA-N 1 2 388.555 2.026 20 0 GEADLO Cc1csc([C@@](O)(CC(=O)NCCCCn2cc[nH+]c2)C(F)(F)F)n1 ZINC000060453770 642836744 /nfs/dbraw/zinc/83/67/44/642836744.db2.gz HUCKFUWQURHJFW-AWEZNQCLSA-N 1 2 376.404 2.385 20 0 GEADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1nc2ncc(Br)cn2n1 ZINC000065640186 642883131 /nfs/dbraw/zinc/88/31/31/642883131.db2.gz GSXDMTGETKTEOQ-UHFFFAOYSA-N 1 2 384.197 2.325 20 0 GEADLO CCc1ncc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000065643881 642883628 /nfs/dbraw/zinc/88/36/28/642883628.db2.gz BHNVGOHJTVDZSD-UHFFFAOYSA-N 1 2 379.507 2.268 20 0 GEADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2csc(Br)c2)C1 ZINC000066472725 642915513 /nfs/dbraw/zinc/91/55/13/642915513.db2.gz UKIWWDKKDWJXBD-CYBMUJFWSA-N 1 2 388.331 2.070 20 0 GEADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2csc(Br)c2)C1 ZINC000066472725 642915515 /nfs/dbraw/zinc/91/55/15/642915515.db2.gz UKIWWDKKDWJXBD-CYBMUJFWSA-N 1 2 388.331 2.070 20 0 GEADLO CCN(C1CC[NH+](CC(=O)N[C@H](C)CCCC(C)C)CC1)S(C)(=O)=O ZINC000066883624 642945612 /nfs/dbraw/zinc/94/56/12/642945612.db2.gz MCZNHDQMKLSXHR-MRXNPFEDSA-N 1 2 375.579 2.063 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000536335367 650800253 /nfs/dbraw/zinc/80/02/53/650800253.db2.gz BJGBSVYCUBPEHO-AWEZNQCLSA-N 1 2 391.225 2.168 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000536335367 650800256 /nfs/dbraw/zinc/80/02/56/650800256.db2.gz BJGBSVYCUBPEHO-AWEZNQCLSA-N 1 2 391.225 2.168 20 0 GEADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000494147008 650801866 /nfs/dbraw/zinc/80/18/66/650801866.db2.gz XJWPGLWNRSTAGC-SNVBAGLBSA-N 1 2 392.319 2.193 20 0 GEADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCOC)Cc1cc(Br)cs1 ZINC000494147008 650801869 /nfs/dbraw/zinc/80/18/69/650801869.db2.gz XJWPGLWNRSTAGC-SNVBAGLBSA-N 1 2 392.319 2.193 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000068505772 643003750 /nfs/dbraw/zinc/00/37/50/643003750.db2.gz RRZCNGJACJFMDR-UHFFFAOYSA-N 1 2 393.336 2.161 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000068506279 643003843 /nfs/dbraw/zinc/00/38/43/643003843.db2.gz GNXCQHSRENDWKK-UHFFFAOYSA-N 1 2 393.336 2.161 20 0 GEADLO CCCC[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000071006775 643057252 /nfs/dbraw/zinc/05/72/52/643057252.db2.gz QFWSCCKXIJYNKF-HNNXBMFYSA-N 1 2 383.901 2.137 20 0 GEADLO CCCC[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000071006775 643057259 /nfs/dbraw/zinc/05/72/59/643057259.db2.gz QFWSCCKXIJYNKF-HNNXBMFYSA-N 1 2 383.901 2.137 20 0 GEADLO O=S(=O)(c1ccc(F)cc1Br)N1CC[NH+](CC2CC2)CC1 ZINC000097002857 643093391 /nfs/dbraw/zinc/09/33/91/643093391.db2.gz RJODLHDBROOBPZ-UHFFFAOYSA-N 1 2 377.279 2.305 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)Cc2ccc(Cl)nc2)C[C@@H](C)O1 ZINC000101574566 643109577 /nfs/dbraw/zinc/10/95/77/643109577.db2.gz VVKLZNFTQRZJME-FMKPAKJESA-N 1 2 387.933 2.138 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2cc(Br)ccc2F)CCO1 ZINC000494679443 650814164 /nfs/dbraw/zinc/81/41/64/650814164.db2.gz FCBIWSLWDFKSEX-AWEZNQCLSA-N 1 2 388.281 2.498 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2cc(Br)ccc2F)CCO1 ZINC000494679443 650814168 /nfs/dbraw/zinc/81/41/68/650814168.db2.gz FCBIWSLWDFKSEX-AWEZNQCLSA-N 1 2 388.281 2.498 20 0 GEADLO Cc1ccc([C@@H](CNS(=O)(=O)c2c(C)nn(C)c2Cl)[NH+]2CCCC2)o1 ZINC000101580231 643110947 /nfs/dbraw/zinc/11/09/47/643110947.db2.gz DOBSBJDTQHQJRO-CYBMUJFWSA-N 1 2 386.905 2.399 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](C)CCNC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000537525884 650815735 /nfs/dbraw/zinc/81/57/35/650815735.db2.gz HKKMKZAGAGPQNQ-LLVKDONJSA-N 1 2 375.300 2.374 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](C)CCNC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000537525884 650815737 /nfs/dbraw/zinc/81/57/37/650815737.db2.gz HKKMKZAGAGPQNQ-LLVKDONJSA-N 1 2 375.300 2.374 20 0 GEADLO CC1CC[NH+]([C@@H](CNC(=O)N(C)CCS(C)(=O)=O)c2cccs2)CC1 ZINC000102804108 643140013 /nfs/dbraw/zinc/14/00/13/643140013.db2.gz IEFGOFNDLFGBKQ-HNNXBMFYSA-N 1 2 387.571 2.207 20 0 GEADLO Cn1cc([C@H](CO)[NH2+]Cc2cc3c(cc2Br)OCCCO3)cn1 ZINC000494809226 650817122 /nfs/dbraw/zinc/81/71/22/650817122.db2.gz NYRYFYDGZYUPLL-AWEZNQCLSA-N 1 2 382.258 2.167 20 0 GEADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000103494221 643168612 /nfs/dbraw/zinc/16/86/12/643168612.db2.gz STHYUYFLBCQAIM-HNNXBMFYSA-N 1 2 398.345 2.108 20 0 GEADLO CCOc1cccc(C[N@@H+]2CCC[C@@H]2CS(=O)(=O)NC)c1OC(F)F ZINC000537658786 650820249 /nfs/dbraw/zinc/82/02/49/650820249.db2.gz PIPWLGXDOYQNBF-CYBMUJFWSA-N 1 2 378.441 2.200 20 0 GEADLO CCOc1cccc(C[N@H+]2CCC[C@@H]2CS(=O)(=O)NC)c1OC(F)F ZINC000537658786 650820250 /nfs/dbraw/zinc/82/02/50/650820250.db2.gz PIPWLGXDOYQNBF-CYBMUJFWSA-N 1 2 378.441 2.200 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000104797419 643194789 /nfs/dbraw/zinc/19/47/89/643194789.db2.gz GVVAPVKKYVXODC-CJNGLKHVSA-N 1 2 388.295 2.407 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000104797419 643194791 /nfs/dbraw/zinc/19/47/91/643194791.db2.gz GVVAPVKKYVXODC-CJNGLKHVSA-N 1 2 388.295 2.407 20 0 GEADLO C[C@@H](NC(=O)NCc1ccc(Br)s1)[C@H](C)[NH+]1CCOCC1 ZINC000105149152 643200645 /nfs/dbraw/zinc/20/06/45/643200645.db2.gz CBNGJRVSDDAWSN-MNOVXSKESA-N 1 2 376.320 2.419 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000105240077 643202043 /nfs/dbraw/zinc/20/20/43/643202043.db2.gz NNXBRZCPFWVXQS-MRXNPFEDSA-N 1 2 382.302 2.410 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000105612597 643211492 /nfs/dbraw/zinc/21/14/92/643211492.db2.gz KHKVOFBGMIKQHZ-ZDUSSCGKSA-N 1 2 388.331 2.070 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000105612597 643211505 /nfs/dbraw/zinc/21/15/05/643211505.db2.gz KHKVOFBGMIKQHZ-ZDUSSCGKSA-N 1 2 388.331 2.070 20 0 GEADLO Cc1csc2nc(CN3CC[NH+](Cc4cnc(C)s4)CC3)cc(=O)n12 ZINC000106091524 643220059 /nfs/dbraw/zinc/22/00/59/643220059.db2.gz TZEKROGGKBOEOV-UHFFFAOYSA-N 1 2 375.523 2.147 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000106241924 643226759 /nfs/dbraw/zinc/22/67/59/643226759.db2.gz FHRQIFLARSGPGO-NEPJUHHUSA-N 1 2 382.511 2.071 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1Cl ZINC000537746468 650822846 /nfs/dbraw/zinc/82/28/46/650822846.db2.gz CXLDKDJOVRMACO-ZJUUUORDSA-N 1 2 377.869 2.151 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1Cl ZINC000537746468 650822848 /nfs/dbraw/zinc/82/28/48/650822848.db2.gz CXLDKDJOVRMACO-ZJUUUORDSA-N 1 2 377.869 2.151 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1ccc(Br)cc1 ZINC000106580731 643234513 /nfs/dbraw/zinc/23/45/13/643234513.db2.gz JEOUEGYUQJYDKH-AWEZNQCLSA-N 1 2 383.334 2.226 20 0 GEADLO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000495206493 650823794 /nfs/dbraw/zinc/82/37/94/650823794.db2.gz YUBHBGMXUWYWTM-PXAZEXFGSA-N 1 2 388.917 2.165 20 0 GEADLO C[C@@H]1CC[C@](CO)([N@@H+](C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000495206493 650823797 /nfs/dbraw/zinc/82/37/97/650823797.db2.gz YUBHBGMXUWYWTM-PXAZEXFGSA-N 1 2 388.917 2.165 20 0 GEADLO COCc1c(Br)cccc1NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106945194 643247143 /nfs/dbraw/zinc/24/71/43/643247143.db2.gz QOPBARCCUWAGRQ-CYBMUJFWSA-N 1 2 399.333 2.353 20 0 GEADLO COCc1cnc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)s1 ZINC000537870286 650825133 /nfs/dbraw/zinc/82/51/33/650825133.db2.gz USXWEFRUNPEAOA-UHFFFAOYSA-N 1 2 381.932 2.073 20 0 GEADLO C[C@@H](NC(=O)c1csc(I)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000107595648 643258582 /nfs/dbraw/zinc/25/85/82/643258582.db2.gz SEYUAEMIMAFCFS-NXEZZACHSA-N 1 2 394.278 2.192 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)C[C@@H]1C ZINC000110694180 643318209 /nfs/dbraw/zinc/31/82/09/643318209.db2.gz HVVLXHFWIROCQY-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)C[C@@H]1C ZINC000110694180 643318210 /nfs/dbraw/zinc/31/82/10/643318210.db2.gz HVVLXHFWIROCQY-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC(C)(C)c1nc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)cs1 ZINC000111405343 643339966 /nfs/dbraw/zinc/33/99/66/643339966.db2.gz CBTLDPUGVPRVPG-CQSZACIVSA-N 1 2 375.560 2.019 20 0 GEADLO CN(C)c1ncc(Br)cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000113146628 643383797 /nfs/dbraw/zinc/38/37/97/643383797.db2.gz WNHGLZIVPAVHGL-UHFFFAOYSA-N 1 2 392.301 2.415 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cn2c1 ZINC000113458887 643398534 /nfs/dbraw/zinc/39/85/34/643398534.db2.gz XJEVGUAVAKJTBA-KGLIPLIRSA-N 1 2 383.539 2.156 20 0 GEADLO CCN(C(=O)[C@@H](C)[N@H+](C)CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000113518106 643400173 /nfs/dbraw/zinc/40/01/73/643400173.db2.gz VDUNGOOILJOIHQ-RHSMWYFYSA-N 1 2 386.945 2.238 20 0 GEADLO CCN(C(=O)[C@@H](C)[N@@H+](C)CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000113518106 643400177 /nfs/dbraw/zinc/40/01/77/643400177.db2.gz VDUNGOOILJOIHQ-RHSMWYFYSA-N 1 2 386.945 2.238 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(F)c2Br)C[C@H]1C ZINC000497627345 650837789 /nfs/dbraw/zinc/83/77/89/650837789.db2.gz IUSRKQAUOXXKJS-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(F)c2Br)C[C@H]1C ZINC000497627345 650837792 /nfs/dbraw/zinc/83/77/92/650837792.db2.gz IUSRKQAUOXXKJS-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2SCC(N)=O)n1 ZINC000118848734 643523968 /nfs/dbraw/zinc/52/39/68/643523968.db2.gz WTFJFLFXJBVQSJ-UHFFFAOYSA-N 1 2 378.523 2.492 20 0 GEADLO CC(C)[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[NH+](C)C ZINC000120037237 643587452 /nfs/dbraw/zinc/58/74/52/643587452.db2.gz COSCXKFWEWRHGN-CQSZACIVSA-N 1 2 382.511 2.469 20 0 GEADLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C)C(=O)NC(=O)NC ZINC000120276165 643597299 /nfs/dbraw/zinc/59/72/99/643597299.db2.gz QHLBHGXYSOXJKZ-JTQLQIEISA-N 1 2 389.283 2.488 20 0 GEADLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C)C(=O)NC(=O)NC ZINC000120276165 643597300 /nfs/dbraw/zinc/59/73/00/643597300.db2.gz QHLBHGXYSOXJKZ-JTQLQIEISA-N 1 2 389.283 2.488 20 0 GEADLO CCOc1cc(C[N@@H+]2CCC[C@@H]2CS(=O)(=O)NC)cc(Cl)c1OC ZINC000539863356 650852194 /nfs/dbraw/zinc/85/21/94/650852194.db2.gz XMVWNCCZYZAHRD-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO CCOc1cc(C[N@H+]2CCC[C@@H]2CS(=O)(=O)NC)cc(Cl)c1OC ZINC000539863356 650852197 /nfs/dbraw/zinc/85/21/97/650852197.db2.gz XMVWNCCZYZAHRD-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000539950511 650854804 /nfs/dbraw/zinc/85/48/04/650854804.db2.gz IEOOSKQJLKLQBL-RYUDHWBXSA-N 1 2 391.331 2.479 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000539950511 650854807 /nfs/dbraw/zinc/85/48/07/650854807.db2.gz IEOOSKQJLKLQBL-RYUDHWBXSA-N 1 2 391.331 2.479 20 0 GEADLO COc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1I ZINC000121873019 643644075 /nfs/dbraw/zinc/64/40/75/643644075.db2.gz PSSPGBJVBMGHKG-UHFFFAOYSA-N 1 2 385.205 2.316 20 0 GEADLO CC(C)(CNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)[NH+]1CCOCC1 ZINC000124755974 643689819 /nfs/dbraw/zinc/68/98/19/643689819.db2.gz JKPPBBROYNMSGI-CQSZACIVSA-N 1 2 390.311 2.437 20 0 GEADLO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)nnn1-c1cccc(Br)c1 ZINC000540223332 650860620 /nfs/dbraw/zinc/86/06/20/650860620.db2.gz FDVKTYZHVYCVDL-GHMZBOCLSA-N 1 2 380.290 2.466 20 0 GEADLO C[C@@H]1CCN(C(=O)CCn2cc(Br)ccc2=O)C[C@@H]1n1cc[nH+]c1 ZINC000126004425 643717642 /nfs/dbraw/zinc/71/76/42/643717642.db2.gz DUYAMJNTUUJLJZ-HIFRSBDPSA-N 1 2 393.285 2.307 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C(=O)N(C)C ZINC000126245612 643725388 /nfs/dbraw/zinc/72/53/88/643725388.db2.gz LFOPOJQQEIHQDC-AAEUAGOBSA-N 1 2 388.295 2.039 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C(=O)N(C)C ZINC000126245612 643725391 /nfs/dbraw/zinc/72/53/91/643725391.db2.gz LFOPOJQQEIHQDC-AAEUAGOBSA-N 1 2 388.295 2.039 20 0 GEADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(Br)c(F)c3)C2)CC1 ZINC000127155582 643760018 /nfs/dbraw/zinc/76/00/18/643760018.db2.gz MAZRCTDKNOTUPH-OAHLLOKOSA-N 1 2 398.320 2.369 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000127231392 643765082 /nfs/dbraw/zinc/76/50/82/643765082.db2.gz FXMGFAFUVGZVMB-UHFFFAOYSA-N 1 2 394.191 2.180 20 0 GEADLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c[nH]1 ZINC000130378891 643837169 /nfs/dbraw/zinc/83/71/69/643837169.db2.gz NWPZUHLHOAZASC-UHFFFAOYSA-N 1 2 379.258 2.281 20 0 GEADLO CC(C)(C)C(=O)N1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000130568213 643843676 /nfs/dbraw/zinc/84/36/76/643843676.db2.gz GOMQXYUWDBDCSB-HNNXBMFYSA-N 1 2 399.329 2.379 20 0 GEADLO CN(CCCn1cc[nH+]c1)CN1C(=O)C(=O)c2cc(Br)ccc21 ZINC000130627107 643846221 /nfs/dbraw/zinc/84/62/21/643846221.db2.gz ZQJFATFQYITWKF-UHFFFAOYSA-N 1 2 377.242 2.155 20 0 GEADLO CCc1nc(C[NH2+]Cc2ccc(CS(=O)(=O)CC(=O)OC)cc2)cs1 ZINC000151305652 643935686 /nfs/dbraw/zinc/93/56/86/643935686.db2.gz RHTGJCIRZQHMIP-UHFFFAOYSA-N 1 2 382.507 2.083 20 0 GEADLO C[N@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000151742416 643952816 /nfs/dbraw/zinc/95/28/16/643952816.db2.gz FCGBXBBUMKTCFR-WMLDXEAASA-N 1 2 396.285 2.284 20 0 GEADLO C[N@@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000151742416 643952822 /nfs/dbraw/zinc/95/28/22/643952822.db2.gz FCGBXBBUMKTCFR-WMLDXEAASA-N 1 2 396.285 2.284 20 0 GEADLO CC(=O)OC1CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000153188277 643979415 /nfs/dbraw/zinc/97/94/15/643979415.db2.gz YEXKMTFCBRKIER-UHFFFAOYSA-N 1 2 390.299 2.250 20 0 GEADLO CN(C(=O)c1cc(S(C)(=O)=O)ccc1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000153483372 643989245 /nfs/dbraw/zinc/98/92/45/643989245.db2.gz IWOACFIOEUSWQG-LLVKDONJSA-N 1 2 389.315 2.019 20 0 GEADLO CN(C(=O)c1cc(S(C)(=O)=O)ccc1Br)[C@@H]1CCC[N@@H+](C)C1 ZINC000153483372 643989253 /nfs/dbraw/zinc/98/92/53/643989253.db2.gz IWOACFIOEUSWQG-LLVKDONJSA-N 1 2 389.315 2.019 20 0 GEADLO CN(C(=O)c1cc(S(C)(=O)=O)ccc1Br)[C@H]1CCC[N@H+](C)C1 ZINC000153483258 643989510 /nfs/dbraw/zinc/98/95/10/643989510.db2.gz IWOACFIOEUSWQG-NSHDSACASA-N 1 2 389.315 2.019 20 0 GEADLO CN(C(=O)c1cc(S(C)(=O)=O)ccc1Br)[C@H]1CCC[N@@H+](C)C1 ZINC000153483258 643989513 /nfs/dbraw/zinc/98/95/13/643989513.db2.gz IWOACFIOEUSWQG-NSHDSACASA-N 1 2 389.315 2.019 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C(C)(C)C1 ZINC000541814751 650882234 /nfs/dbraw/zinc/88/22/34/650882234.db2.gz AUKZJARYUUGAPC-UHFFFAOYSA-N 1 2 389.315 2.099 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)C(C)(C)C1 ZINC000541814751 650882235 /nfs/dbraw/zinc/88/22/35/650882235.db2.gz AUKZJARYUUGAPC-UHFFFAOYSA-N 1 2 389.315 2.099 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3nccn4ccnc34)[nH+]c12 ZINC000499444818 650884274 /nfs/dbraw/zinc/88/42/74/650884274.db2.gz PHIIVWNYTASEQK-UHFFFAOYSA-N 1 2 399.252 2.420 20 0 GEADLO C[C@@H]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000154433471 644040822 /nfs/dbraw/zinc/04/08/22/644040822.db2.gz JIYHWBXQFSNBEV-RISCZKNCSA-N 1 2 392.257 2.089 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000156423322 644095598 /nfs/dbraw/zinc/09/55/98/644095598.db2.gz OXFILMJBSNDJJN-UHFFFAOYSA-N 1 2 389.308 2.196 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@H+](CC)CCc2nccs2)n1 ZINC000157066124 644128866 /nfs/dbraw/zinc/12/88/66/644128866.db2.gz PWXZBROGJVKPAV-UHFFFAOYSA-N 1 2 382.511 2.208 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+](CC)CCc2nccs2)n1 ZINC000157066124 644128869 /nfs/dbraw/zinc/12/88/69/644128869.db2.gz PWXZBROGJVKPAV-UHFFFAOYSA-N 1 2 382.511 2.208 20 0 GEADLO C[C@H]1C[N@H+](CCN2CCN(Cc3ccc(Br)cc3)CC2)CCO1 ZINC000500119795 650896981 /nfs/dbraw/zinc/89/69/81/650896981.db2.gz BHXUVAUUASFRQY-INIZCTEOSA-N 1 2 382.346 2.287 20 0 GEADLO C[C@H]1C[N@@H+](CCN2CCN(Cc3ccc(Br)cc3)CC2)CCO1 ZINC000500119795 650896985 /nfs/dbraw/zinc/89/69/85/650896985.db2.gz BHXUVAUUASFRQY-INIZCTEOSA-N 1 2 382.346 2.287 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000542950250 650895774 /nfs/dbraw/zinc/89/57/74/650895774.db2.gz AIFULYDZNXBLKY-CYBMUJFWSA-N 1 2 385.302 2.227 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000542950250 650895775 /nfs/dbraw/zinc/89/57/75/650895775.db2.gz AIFULYDZNXBLKY-CYBMUJFWSA-N 1 2 385.302 2.227 20 0 GEADLO CN(C)C(=O)c1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000161874870 644223962 /nfs/dbraw/zinc/22/39/62/644223962.db2.gz ICDLBBWLMVPIOZ-MRXNPFEDSA-N 1 2 390.281 2.467 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)Cc1ccccc1Br ZINC000164491077 644265301 /nfs/dbraw/zinc/26/53/01/644265301.db2.gz LYIZFLRZVVPCIH-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO Brc1nc(Br)n(CN2CCC(n3cc[nH+]c3)CC2)n1 ZINC000175236729 644387224 /nfs/dbraw/zinc/38/72/24/644387224.db2.gz WRJZZQXHGXMFAN-UHFFFAOYSA-N 1 2 390.083 2.294 20 0 GEADLO CCC(CC)N(CC(C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000178680208 644437097 /nfs/dbraw/zinc/43/70/97/644437097.db2.gz ZWEXOCPADRJOML-UHFFFAOYSA-N 1 2 375.579 2.352 20 0 GEADLO Nc1ncc(Cl)cc1S(=O)(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000178942897 644447052 /nfs/dbraw/zinc/44/70/52/644447052.db2.gz TYIMFQBGAINZGJ-UHFFFAOYSA-N 1 2 377.857 2.041 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)ccc1Br ZINC000180345861 644501581 /nfs/dbraw/zinc/50/15/81/644501581.db2.gz PDZPYZZQFFGQPZ-GFCCVEGCSA-N 1 2 389.315 2.366 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000180345861 644501588 /nfs/dbraw/zinc/50/15/88/644501588.db2.gz PDZPYZZQFFGQPZ-GFCCVEGCSA-N 1 2 389.315 2.366 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000543939154 650928386 /nfs/dbraw/zinc/92/83/86/650928386.db2.gz CXEWPZUIIJWKJO-UHFFFAOYSA-N 1 2 393.241 2.187 20 0 GEADLO CC[C@@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1nccs1 ZINC000544416506 650941857 /nfs/dbraw/zinc/94/18/57/650941857.db2.gz ZAUVFMJAEFBGBQ-CQSZACIVSA-N 1 2 382.511 2.073 20 0 GEADLO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000181627274 644942938 /nfs/dbraw/zinc/94/29/38/644942938.db2.gz ZGJOMVPQBNNKBV-NWDGAFQWSA-N 1 2 389.279 2.376 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)[C@H](C)C1 ZINC000184239236 645013293 /nfs/dbraw/zinc/01/32/93/645013293.db2.gz CRRPGNGWRIPLSA-DPQIITEBSA-N 1 2 386.901 2.210 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)[C@H](C)C1 ZINC000184239236 645013300 /nfs/dbraw/zinc/01/33/00/645013300.db2.gz CRRPGNGWRIPLSA-DPQIITEBSA-N 1 2 386.901 2.210 20 0 GEADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)n1 ZINC000184264446 645013955 /nfs/dbraw/zinc/01/39/55/645013955.db2.gz AHOGYLCFRKBZCK-JTQLQIEISA-N 1 2 377.861 2.370 20 0 GEADLO Cc1cc(S(=O)(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c(Cl)cc1F ZINC000185432390 645044910 /nfs/dbraw/zinc/04/49/10/645044910.db2.gz VRIHPKKTSJINII-UHFFFAOYSA-N 1 2 391.940 2.482 20 0 GEADLO CC[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)[C@@H](C)CS(C)(=O)=O ZINC000187031813 645079807 /nfs/dbraw/zinc/07/98/07/645079807.db2.gz QNOLVMIEVQCWHO-IINYFYTJSA-N 1 2 382.295 2.377 20 0 GEADLO CC[N@@H+](C[C@@H](O)c1ccc(F)c(Br)c1)[C@@H](C)CS(C)(=O)=O ZINC000187031813 645079809 /nfs/dbraw/zinc/07/98/09/645079809.db2.gz QNOLVMIEVQCWHO-IINYFYTJSA-N 1 2 382.295 2.377 20 0 GEADLO Cc1cc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)ccc1Br ZINC000188108159 645108402 /nfs/dbraw/zinc/10/84/02/645108402.db2.gz ALCJZJHYUIOUAX-UHFFFAOYSA-N 1 2 399.636 2.064 20 0 GEADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000188315494 645113619 /nfs/dbraw/zinc/11/36/19/645113619.db2.gz BPDLZNOIXMSNDQ-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000188315494 645113624 /nfs/dbraw/zinc/11/36/24/645113624.db2.gz BPDLZNOIXMSNDQ-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO Cc1cc(NNC(=O)C(=O)Nc2cc(F)c(Br)cc2C)nc(C)[nH+]1 ZINC000188758832 645124338 /nfs/dbraw/zinc/12/43/38/645124338.db2.gz HDDSUVIVKVYMFG-UHFFFAOYSA-N 1 2 396.220 2.385 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000188801527 645126550 /nfs/dbraw/zinc/12/65/50/645126550.db2.gz HQNCIQWODSHHBJ-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC[N@H+]1CC(C)(C)O ZINC000188801527 645126553 /nfs/dbraw/zinc/12/65/53/645126553.db2.gz HQNCIQWODSHHBJ-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(C)nc2Cl)CC[N@@H+]1CCOC ZINC000189785313 645141280 /nfs/dbraw/zinc/14/12/80/645141280.db2.gz IXBRVNPQWMFQBJ-AWEZNQCLSA-N 1 2 375.922 2.165 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(C)nc2Cl)CC[N@H+]1CCOC ZINC000189785313 645141285 /nfs/dbraw/zinc/14/12/85/645141285.db2.gz IXBRVNPQWMFQBJ-AWEZNQCLSA-N 1 2 375.922 2.165 20 0 GEADLO Ic1cnc(NCc2ccccc2-n2cc[nH+]c2)nc1 ZINC000545915846 650985344 /nfs/dbraw/zinc/98/53/44/650985344.db2.gz PONYFSLNSIIHAO-UHFFFAOYSA-N 1 2 377.189 2.879 20 0 GEADLO Cc1nc(N2CCN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)CC2)cc[nH+]1 ZINC000192840305 645224566 /nfs/dbraw/zinc/22/45/66/645224566.db2.gz YTGXLZYLXXZALM-UHFFFAOYSA-N 1 2 384.864 2.230 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000546170657 650993795 /nfs/dbraw/zinc/99/37/95/650993795.db2.gz LTCXGEGFEXCISM-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000546170657 650993798 /nfs/dbraw/zinc/99/37/98/650993798.db2.gz LTCXGEGFEXCISM-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cncc(Br)c1 ZINC000193507574 645279431 /nfs/dbraw/zinc/27/94/31/645279431.db2.gz AGMZKVGDCGCIAG-CQSZACIVSA-N 1 2 376.320 2.138 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cncc(Br)c1 ZINC000193507574 645279437 /nfs/dbraw/zinc/27/94/37/645279437.db2.gz AGMZKVGDCGCIAG-CQSZACIVSA-N 1 2 376.320 2.138 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@H](C)O1 ZINC000194732826 645345883 /nfs/dbraw/zinc/34/58/83/645345883.db2.gz JIMOMAOXTKOSGP-AHIWAGSCSA-N 1 2 397.313 2.320 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@H](C)O1 ZINC000194732826 645345888 /nfs/dbraw/zinc/34/58/88/645345888.db2.gz JIMOMAOXTKOSGP-AHIWAGSCSA-N 1 2 397.313 2.320 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc(Br)cnc2N(C)C)C[C@H](C)O1 ZINC000194749648 645346966 /nfs/dbraw/zinc/34/69/66/645346966.db2.gz XBOGAHRXDIONNM-BETUJISGSA-N 1 2 399.333 2.091 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc(Br)cnc2N(C)C)C[C@H](C)O1 ZINC000194749648 645346975 /nfs/dbraw/zinc/34/69/75/645346975.db2.gz XBOGAHRXDIONNM-BETUJISGSA-N 1 2 399.333 2.091 20 0 GEADLO CC(=O)N[C@H](C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C(C)C ZINC000546767000 651008835 /nfs/dbraw/zinc/00/88/35/651008835.db2.gz UXHFZCXVAXSGHS-HNNXBMFYSA-N 1 2 395.301 2.225 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)C[C@@H](C)O)[nH+]c12 ZINC000546861216 651011633 /nfs/dbraw/zinc/01/16/33/651011633.db2.gz DYZSGOKRHCWMTF-VXGBXAGGSA-N 1 2 383.290 2.406 20 0 GEADLO Cn1cnc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1Cl ZINC000245548811 645461112 /nfs/dbraw/zinc/46/11/12/645461112.db2.gz FYDUTLOHMJDRGV-STQMWFEESA-N 1 2 389.308 2.451 20 0 GEADLO Cn1cnc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1Cl ZINC000245548811 645461118 /nfs/dbraw/zinc/46/11/18/645461118.db2.gz FYDUTLOHMJDRGV-STQMWFEESA-N 1 2 389.308 2.451 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C[C@H](C)O ZINC000245780575 645468857 /nfs/dbraw/zinc/46/88/57/645468857.db2.gz CDDLQCQFNOPNSX-JSGCOSHPSA-N 1 2 380.432 2.171 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C[C@H](C)O ZINC000245780575 645468859 /nfs/dbraw/zinc/46/88/59/645468859.db2.gz CDDLQCQFNOPNSX-JSGCOSHPSA-N 1 2 380.432 2.171 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000546915924 651014796 /nfs/dbraw/zinc/01/47/96/651014796.db2.gz CEJWTVDIITYXFY-CYBMUJFWSA-N 1 2 396.285 2.256 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000546915924 651014803 /nfs/dbraw/zinc/01/48/03/651014803.db2.gz CEJWTVDIITYXFY-CYBMUJFWSA-N 1 2 396.285 2.256 20 0 GEADLO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246825206 645496011 /nfs/dbraw/zinc/49/60/11/645496011.db2.gz COBVVXDQEHZYKR-BRWVUGGUSA-N 1 2 379.298 2.486 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@H]1n1cc[nH+]c1 ZINC000247685728 645516041 /nfs/dbraw/zinc/51/60/41/645516041.db2.gz SCWFIUXMGXVVDV-QWHCGFSZSA-N 1 2 379.873 2.456 20 0 GEADLO CCCn1cc(C[N@@H+]2CCCN(S(=O)(=O)[C@H](C)C(F)(F)F)CC2)cn1 ZINC000248428857 645525167 /nfs/dbraw/zinc/52/51/67/645525167.db2.gz PLUUBOZGSCJOJG-CYBMUJFWSA-N 1 2 382.452 2.081 20 0 GEADLO CCCn1cc(C[N@H+]2CCCN(S(=O)(=O)[C@H](C)C(F)(F)F)CC2)cn1 ZINC000248428857 645525170 /nfs/dbraw/zinc/52/51/70/645525170.db2.gz PLUUBOZGSCJOJG-CYBMUJFWSA-N 1 2 382.452 2.081 20 0 GEADLO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000248553755 645531904 /nfs/dbraw/zinc/53/19/04/645531904.db2.gz HOYRJOBQRWYXQC-UKRRQHHQSA-N 1 2 375.918 2.286 20 0 GEADLO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000248553755 645531910 /nfs/dbraw/zinc/53/19/10/645531910.db2.gz HOYRJOBQRWYXQC-UKRRQHHQSA-N 1 2 375.918 2.286 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@H]1C ZINC000252692571 645566822 /nfs/dbraw/zinc/56/68/22/645566822.db2.gz DBLHJNMHHRUVEN-MNOVXSKESA-N 1 2 398.859 2.017 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@H]1C ZINC000252692571 645566824 /nfs/dbraw/zinc/56/68/24/645566824.db2.gz DBLHJNMHHRUVEN-MNOVXSKESA-N 1 2 398.859 2.017 20 0 GEADLO O=C(NCCOc1ccc(Br)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547627625 651040113 /nfs/dbraw/zinc/04/01/13/651040113.db2.gz PDTFNTIGLOYJCZ-ZDUSSCGKSA-N 1 2 379.258 2.339 20 0 GEADLO Cc1nsc(N2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)n1 ZINC000267321108 645898257 /nfs/dbraw/zinc/89/82/57/645898257.db2.gz HAHKLFFISJFSGH-CQSZACIVSA-N 1 2 383.315 2.465 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000267645362 645911411 /nfs/dbraw/zinc/91/14/11/645911411.db2.gz HWNHSGIINIBSBO-AWEZNQCLSA-N 1 2 375.296 2.078 20 0 GEADLO CS(=O)(=O)CC1(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000267747577 645922880 /nfs/dbraw/zinc/92/28/80/645922880.db2.gz MAFKRXKILRLRFA-UHFFFAOYSA-N 1 2 386.543 2.075 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000268215753 645953988 /nfs/dbraw/zinc/95/39/88/645953988.db2.gz VJKNTHGCEFQKCX-NSHDSACASA-N 1 2 383.857 2.418 20 0 GEADLO O=C(NC1CC1)[C@@H](O)C1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000548023788 651061324 /nfs/dbraw/zinc/06/13/24/651061324.db2.gz CGDCWUNWNFFNKY-INIZCTEOSA-N 1 2 385.277 2.440 20 0 GEADLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 ZINC000269642970 646047210 /nfs/dbraw/zinc/04/72/10/646047210.db2.gz CTNFASCKFGLOJZ-UHFFFAOYSA-N 1 2 387.458 2.480 20 0 GEADLO Cn1c2cc(Br)ccc2nc1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000274996984 646341175 /nfs/dbraw/zinc/34/11/75/646341175.db2.gz FSEZLXNLQDMIGM-UHFFFAOYSA-N 1 2 392.301 2.325 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1ccc(I)cc1 ZINC000275202660 646347787 /nfs/dbraw/zinc/34/77/87/646347787.db2.gz QRIWWCLWCKDKJD-VHSXEESVSA-N 1 2 399.236 2.098 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c(=O)n1C ZINC000277355699 646406945 /nfs/dbraw/zinc/40/69/45/646406945.db2.gz GRTLGJHNOIDRJU-UHFFFAOYSA-N 1 2 379.258 2.130 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)Cc3ccnn3C)[nH+]c12 ZINC000278056470 646488054 /nfs/dbraw/zinc/48/80/54/646488054.db2.gz YPSKWIDNVIBBDU-UHFFFAOYSA-N 1 2 376.258 2.040 20 0 GEADLO O=C(CCOc1ccccc1I)NCCn1cc[nH+]c1 ZINC000278173314 646499940 /nfs/dbraw/zinc/49/99/40/646499940.db2.gz BVNGDERXRSEKIN-UHFFFAOYSA-N 1 2 385.205 2.073 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000278257498 646506919 /nfs/dbraw/zinc/50/69/19/646506919.db2.gz HXEOQGVSVNSUPD-KBPBESRZSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000278257498 646506926 /nfs/dbraw/zinc/50/69/26/646506926.db2.gz HXEOQGVSVNSUPD-KBPBESRZSA-N 1 2 376.266 2.434 20 0 GEADLO Cn1ncc(Br)c1C[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000278728610 646543548 /nfs/dbraw/zinc/54/35/48/646543548.db2.gz LPAKBYBDMKJMJJ-VIFPVBQESA-N 1 2 385.212 2.356 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000279393616 646597957 /nfs/dbraw/zinc/59/79/57/646597957.db2.gz KJZLZERTVRYNRC-AWEZNQCLSA-N 1 2 380.539 2.273 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000279393616 646597958 /nfs/dbraw/zinc/59/79/58/646597958.db2.gz KJZLZERTVRYNRC-AWEZNQCLSA-N 1 2 380.539 2.273 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1csc(Br)c1 ZINC000279535764 646608556 /nfs/dbraw/zinc/60/85/56/646608556.db2.gz QNTSZOXBXREUIO-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO O=C(CCOc1cccc(I)c1)NCCCn1cc[nH+]c1 ZINC000279815487 646629877 /nfs/dbraw/zinc/62/98/77/646629877.db2.gz XRTXGHSXZQTUMN-UHFFFAOYSA-N 1 2 399.232 2.463 20 0 GEADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279968255 646641021 /nfs/dbraw/zinc/64/10/21/646641021.db2.gz CUUFPMZCXNZKAF-DTWKUNHWSA-N 1 2 382.313 2.158 20 0 GEADLO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C1(S(C)(=O)=O)CCC1 ZINC000280798108 646717922 /nfs/dbraw/zinc/71/79/22/646717922.db2.gz RUPJEQPZLXGUOA-UHFFFAOYSA-N 1 2 382.551 2.450 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CCc3c[nH+]cn3C)nc12 ZINC000281537602 646779851 /nfs/dbraw/zinc/77/98/51/646779851.db2.gz JIJWRQBPRPJTGN-UHFFFAOYSA-N 1 2 390.285 2.430 20 0 GEADLO O=S(=O)(c1cc(F)cc(Cl)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000281883780 646800431 /nfs/dbraw/zinc/80/04/31/646800431.db2.gz DIRCDFYCNJNIJB-ZDUSSCGKSA-N 1 2 376.881 2.212 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cc2[nH]cnc21)[C@H](C)[NH+]1CCOCC1 ZINC000281993195 646809042 /nfs/dbraw/zinc/80/90/42/646809042.db2.gz CNWPCMRLRHCBLP-MNOVXSKESA-N 1 2 381.274 2.164 20 0 GEADLO C[C@H]([NH2+]Cc1ncc(Br)cc1Br)C(=O)NCCF ZINC000282191371 646819724 /nfs/dbraw/zinc/81/97/24/646819724.db2.gz BMTKBTYMOLZXLX-ZETCQYMHSA-N 1 2 383.059 2.170 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C(N)=O)c(Cl)n2)CC1 ZINC000283543593 646823879 /nfs/dbraw/zinc/82/38/79/646823879.db2.gz UONCOCICIMUGJN-LLVKDONJSA-N 1 2 378.885 2.414 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284096204 646833239 /nfs/dbraw/zinc/83/32/39/646833239.db2.gz NILGHITWAVIZRR-APHBMKBZSA-N 1 2 383.286 2.148 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284096204 646833242 /nfs/dbraw/zinc/83/32/42/646833242.db2.gz NILGHITWAVIZRR-APHBMKBZSA-N 1 2 383.286 2.148 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000292181644 647184826 /nfs/dbraw/zinc/18/48/26/647184826.db2.gz QPGQFGIAGYOAQK-CQSZACIVSA-N 1 2 396.336 2.490 20 0 GEADLO COCCn1nnc2c1CC[N@H+](Cc1cccc(Br)c1OC)C2 ZINC000293625967 647216722 /nfs/dbraw/zinc/21/67/22/647216722.db2.gz LAUNFNWSVVGHGW-UHFFFAOYSA-N 1 2 381.274 2.254 20 0 GEADLO COCCn1nnc2c1CC[N@@H+](Cc1cccc(Br)c1OC)C2 ZINC000293625967 647216727 /nfs/dbraw/zinc/21/67/27/647216727.db2.gz LAUNFNWSVVGHGW-UHFFFAOYSA-N 1 2 381.274 2.254 20 0 GEADLO CCn1c2cc(Br)ccc2[nH+]c1NCc1cn(CC(=O)OC)nn1 ZINC000295982145 647241483 /nfs/dbraw/zinc/24/14/83/647241483.db2.gz NGHOIEXGBIPFPZ-UHFFFAOYSA-N 1 2 393.245 2.195 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1Cl ZINC000331208956 647370687 /nfs/dbraw/zinc/37/06/87/647370687.db2.gz WFNLMFLVCGYDPB-CYBMUJFWSA-N 1 2 390.933 2.123 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1Cl ZINC000331208956 647370693 /nfs/dbraw/zinc/37/06/93/647370693.db2.gz WFNLMFLVCGYDPB-CYBMUJFWSA-N 1 2 390.933 2.123 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccsc1Br ZINC000332555380 647445196 /nfs/dbraw/zinc/44/51/96/647445196.db2.gz KESFMODMJFDSAL-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccsc1Br ZINC000332555380 647445203 /nfs/dbraw/zinc/44/52/03/647445203.db2.gz KESFMODMJFDSAL-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1c(Cl)ccnc1Cl ZINC000361146537 647560476 /nfs/dbraw/zinc/56/04/76/647560476.db2.gz ZKLADSYNGUUOTD-DGCLKSJQSA-N 1 2 394.324 2.168 20 0 GEADLO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000361166221 647561144 /nfs/dbraw/zinc/56/11/44/647561144.db2.gz AVQXVVOLKJOZQL-LBPRGKRZSA-N 1 2 391.269 2.446 20 0 GEADLO NC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000363481774 647596862 /nfs/dbraw/zinc/59/68/62/647596862.db2.gz LBCNBGBBBHHZNJ-CYBMUJFWSA-N 1 2 387.267 2.371 20 0 GEADLO NC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000363481774 647596864 /nfs/dbraw/zinc/59/68/64/647596864.db2.gz LBCNBGBBBHHZNJ-CYBMUJFWSA-N 1 2 387.267 2.371 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(F)ccc3Br)C2)nn1 ZINC000363905391 647611618 /nfs/dbraw/zinc/61/16/18/647611618.db2.gz CALBPFAFDRDZRR-GFCCVEGCSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(F)ccc3Br)C2)nn1 ZINC000363905391 647611620 /nfs/dbraw/zinc/61/16/20/647611620.db2.gz CALBPFAFDRDZRR-GFCCVEGCSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(F)ccc3Br)C2)nn1 ZINC000363905392 647611670 /nfs/dbraw/zinc/61/16/70/647611670.db2.gz CALBPFAFDRDZRR-LBPRGKRZSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(F)ccc3Br)C2)nn1 ZINC000363905392 647611672 /nfs/dbraw/zinc/61/16/72/647611672.db2.gz CALBPFAFDRDZRR-LBPRGKRZSA-N 1 2 383.221 2.413 20 0 GEADLO CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)c1cccc(Br)n1 ZINC000364385405 647623264 /nfs/dbraw/zinc/62/32/64/647623264.db2.gz AXKIHEVQUXMATM-UHFFFAOYSA-N 1 2 392.301 2.453 20 0 GEADLO Cc1cccc(NC[C@H]2CCCN2Cc2csc(CS(C)(=O)=O)n2)[nH+]1 ZINC000364393368 647624304 /nfs/dbraw/zinc/62/43/04/647624304.db2.gz ZOUXZDMASMJCHK-OAHLLOKOSA-N 1 2 380.539 2.468 20 0 GEADLO C[C@H](NC(=O)c1cccs1)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000365116882 647659875 /nfs/dbraw/zinc/65/98/75/647659875.db2.gz LFLGNYSFTBQOHL-LBPRGKRZSA-N 1 2 378.523 2.104 20 0 GEADLO NC(=O)C1([NH+]2CCN(Cc3cnc(C(F)(F)F)s3)CC2)CCCCC1 ZINC000365136371 647660872 /nfs/dbraw/zinc/66/08/72/647660872.db2.gz UDMFUEKIAHIRSU-UHFFFAOYSA-N 1 2 376.448 2.468 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000365214383 647664544 /nfs/dbraw/zinc/66/45/44/647664544.db2.gz BAEHINUVYMSNOO-ZDUSSCGKSA-N 1 2 391.269 2.272 20 0 GEADLO O=S1(=O)CCC[C@@H](C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 ZINC000366962298 647711177 /nfs/dbraw/zinc/71/11/77/647711177.db2.gz LHKYSNNQVIPNAH-ZDUSSCGKSA-N 1 2 377.432 2.047 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c(Br)c1 ZINC000367017344 647715319 /nfs/dbraw/zinc/71/53/19/647715319.db2.gz VRRTZGQRXKDJQZ-INIZCTEOSA-N 1 2 383.242 2.310 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c(Br)c1 ZINC000367017344 647715322 /nfs/dbraw/zinc/71/53/22/647715322.db2.gz VRRTZGQRXKDJQZ-INIZCTEOSA-N 1 2 383.242 2.310 20 0 GEADLO O=C(c1ccc(I)cc1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367083137 647718573 /nfs/dbraw/zinc/71/85/73/647718573.db2.gz DESYMLQROXNJAW-OAHLLOKOSA-N 1 2 393.228 2.473 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1c(Cl)cc(F)cc1Cl ZINC000367183414 647722555 /nfs/dbraw/zinc/72/25/55/647722555.db2.gz CJLDUYNTXAEPAW-WDEREUQCSA-N 1 2 383.272 2.274 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1c(Cl)cc(F)cc1Cl ZINC000367183414 647722561 /nfs/dbraw/zinc/72/25/61/647722561.db2.gz CJLDUYNTXAEPAW-WDEREUQCSA-N 1 2 383.272 2.274 20 0 GEADLO O=S(=O)(C1CC[NH+](Cc2ncccc2C(F)(F)F)CC1)N1CCCC1 ZINC000367229254 647725911 /nfs/dbraw/zinc/72/59/11/647725911.db2.gz DWMMLPNYFAHSLB-UHFFFAOYSA-N 1 2 377.432 2.490 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000367925262 647748251 /nfs/dbraw/zinc/74/82/51/647748251.db2.gz FIIUKRABDGKRIO-AWEZNQCLSA-N 1 2 392.301 2.464 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)sc1Br ZINC000368575300 647759140 /nfs/dbraw/zinc/75/91/40/647759140.db2.gz NDDAOAVGZNATKK-ZETCQYMHSA-N 1 2 375.260 2.047 20 0 GEADLO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368645300 647762669 /nfs/dbraw/zinc/76/26/69/647762669.db2.gz QVJFQIWZTJTCHV-BBRMVZONSA-N 1 2 388.295 2.189 20 0 GEADLO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368645300 647762671 /nfs/dbraw/zinc/76/26/71/647762671.db2.gz QVJFQIWZTJTCHV-BBRMVZONSA-N 1 2 388.295 2.189 20 0 GEADLO C[C@@](O)(C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000368686290 647764492 /nfs/dbraw/zinc/76/44/92/647764492.db2.gz FFUNNRDFNVYTHY-DOTOQJQBSA-N 1 2 383.901 2.095 20 0 GEADLO C[C@@](O)(C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000368686290 647764496 /nfs/dbraw/zinc/76/44/96/647764496.db2.gz FFUNNRDFNVYTHY-DOTOQJQBSA-N 1 2 383.901 2.095 20 0 GEADLO CCOC(=O)c1nn(C)cc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000368700354 647764733 /nfs/dbraw/zinc/76/47/33/647764733.db2.gz RGKDOICTFTZRCF-UHFFFAOYSA-N 1 2 396.289 2.393 20 0 GEADLO Cc1cc(C(=O)N2CCC[N@@H+](CC(=O)NC(C)C)CC2)ccc1Br ZINC000371119740 647786055 /nfs/dbraw/zinc/78/60/55/647786055.db2.gz VBIYMPRVEWNKNM-UHFFFAOYSA-N 1 2 396.329 2.430 20 0 GEADLO Cc1cc(C(=O)N2CCC[N@H+](CC(=O)NC(C)C)CC2)ccc1Br ZINC000371119740 647786059 /nfs/dbraw/zinc/78/60/59/647786059.db2.gz VBIYMPRVEWNKNM-UHFFFAOYSA-N 1 2 396.329 2.430 20 0 GEADLO C[C@@H](c1nccs1)N1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000372190170 647803629 /nfs/dbraw/zinc/80/36/29/647803629.db2.gz DXKYRNPCJJXRNE-AWEZNQCLSA-N 1 2 376.551 2.468 20 0 GEADLO C[C@@H](c1nccs1)N1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000372190170 647803631 /nfs/dbraw/zinc/80/36/31/647803631.db2.gz DXKYRNPCJJXRNE-AWEZNQCLSA-N 1 2 376.551 2.468 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374349358 647822484 /nfs/dbraw/zinc/82/24/84/647822484.db2.gz HOORUJDVEXFBBF-NSHDSACASA-N 1 2 383.857 2.038 20 0 GEADLO O=C(C[NH+]1CCC(c2nnc3n2CCC3)CC1)NCc1ccc(Cl)s1 ZINC000375768753 647832478 /nfs/dbraw/zinc/83/24/78/647832478.db2.gz CYSFMMCIADFWAZ-UHFFFAOYSA-N 1 2 379.917 2.435 20 0 GEADLO O=C(NCc1c(F)cccc1Cl)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000377471586 647859319 /nfs/dbraw/zinc/85/93/19/647859319.db2.gz LJVXIOLQMPDBSW-KRWDZBQOSA-N 1 2 387.908 2.486 20 0 GEADLO O=C1NC[C@H]2C[N@H+](Cc3nc(-c4ccc(Br)s4)no3)CC[C@@H]12 ZINC000377664323 647864226 /nfs/dbraw/zinc/86/42/26/647864226.db2.gz DVNRQHWHBHVSFH-DTWKUNHWSA-N 1 2 383.271 2.129 20 0 GEADLO O=C1NC[C@H]2C[N@@H+](Cc3nc(-c4ccc(Br)s4)no3)CC[C@@H]12 ZINC000377664323 647864230 /nfs/dbraw/zinc/86/42/30/647864230.db2.gz DVNRQHWHBHVSFH-DTWKUNHWSA-N 1 2 383.271 2.129 20 0 GEADLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(S(=O)(=O)NC1CCCC1)CC2 ZINC000377840440 647868304 /nfs/dbraw/zinc/86/83/04/647868304.db2.gz SEEYQPONHFIJNE-HNNXBMFYSA-N 1 2 384.571 2.206 20 0 GEADLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(S(=O)(=O)NC1CCCC1)CC2 ZINC000377840440 647868306 /nfs/dbraw/zinc/86/83/06/647868306.db2.gz SEEYQPONHFIJNE-HNNXBMFYSA-N 1 2 384.571 2.206 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000378429347 647880242 /nfs/dbraw/zinc/88/02/42/647880242.db2.gz KZOHZZUJHSGPJY-CQSZACIVSA-N 1 2 389.253 2.086 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000378429347 647880245 /nfs/dbraw/zinc/88/02/45/647880245.db2.gz KZOHZZUJHSGPJY-CQSZACIVSA-N 1 2 389.253 2.086 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(Br)n1 ZINC000378428501 647880289 /nfs/dbraw/zinc/88/02/89/647880289.db2.gz ZPVSOMPKPBEBMD-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(Br)n1 ZINC000378428501 647880293 /nfs/dbraw/zinc/88/02/93/647880293.db2.gz ZPVSOMPKPBEBMD-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO O=S(=O)(c1ccc(F)cc1Br)N1CC[NH+](C2CCC2)CC1 ZINC000378706594 647887184 /nfs/dbraw/zinc/88/71/84/647887184.db2.gz IMLSWKZKUIDABV-UHFFFAOYSA-N 1 2 377.279 2.447 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000408069227 647922358 /nfs/dbraw/zinc/92/23/58/647922358.db2.gz AWQNKFFXFYCWME-KBPBESRZSA-N 1 2 385.555 2.087 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000408069227 647922360 /nfs/dbraw/zinc/92/23/60/647922360.db2.gz AWQNKFFXFYCWME-KBPBESRZSA-N 1 2 385.555 2.087 20 0 GEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000408089995 647924681 /nfs/dbraw/zinc/92/46/81/647924681.db2.gz UEJKVKUGNANAJI-NXEZZACHSA-N 1 2 398.248 2.332 20 0 GEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000408089995 647924689 /nfs/dbraw/zinc/92/46/89/647924689.db2.gz UEJKVKUGNANAJI-NXEZZACHSA-N 1 2 398.248 2.332 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[N@@H+]1CC(C)(C)O ZINC000408114727 647928115 /nfs/dbraw/zinc/92/81/15/647928115.db2.gz IGXKVSCDKDNJHR-JTQLQIEISA-N 1 2 382.860 2.084 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[N@H+]1CC(C)(C)O ZINC000408114727 647928122 /nfs/dbraw/zinc/92/81/22/647928122.db2.gz IGXKVSCDKDNJHR-JTQLQIEISA-N 1 2 382.860 2.084 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409460458 647962610 /nfs/dbraw/zinc/96/26/10/647962610.db2.gz FYOCVRNNXGOJBH-FMEYXAORSA-N 1 2 393.325 2.490 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccnc2c(Br)ccc(F)c12 ZINC000409718416 647981280 /nfs/dbraw/zinc/98/12/80/647981280.db2.gz FYPAJTNINXJTBQ-LBPRGKRZSA-N 1 2 398.276 2.266 20 0 GEADLO COc1c(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)cnn1C ZINC000412260504 648046814 /nfs/dbraw/zinc/04/68/14/648046814.db2.gz UZOHOWBZDCFMQN-UHFFFAOYSA-N 1 2 392.257 2.120 20 0 GEADLO C[C@H](O)CNc1cc(NC[C@H](C)Oc2ccc(Br)cc2)nc[nH+]1 ZINC000413166404 648061672 /nfs/dbraw/zinc/06/16/72/648061672.db2.gz IPXVGFBFIKQLBL-RYUDHWBXSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@H](O)CNc1cc(NC[C@H](C)Oc2ccc(Br)cc2)[nH+]cn1 ZINC000413166404 648061676 /nfs/dbraw/zinc/06/16/76/648061676.db2.gz IPXVGFBFIKQLBL-RYUDHWBXSA-N 1 2 381.274 2.911 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000413180667 648062180 /nfs/dbraw/zinc/06/21/80/648062180.db2.gz PGHPJIHKUGOJIA-UHFFFAOYSA-N 1 2 377.286 2.383 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000413952227 648088083 /nfs/dbraw/zinc/08/80/83/648088083.db2.gz DEJQIADFOSENDL-UHFFFAOYSA-N 1 2 391.256 2.497 20 0 GEADLO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414341391 648096662 /nfs/dbraw/zinc/09/66/62/648096662.db2.gz LJEOBMNSZQYJKO-RKDXNWHRSA-N 1 2 382.313 2.205 20 0 GEADLO CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000414344856 648097415 /nfs/dbraw/zinc/09/74/15/648097415.db2.gz OJCPBLHBZUURDD-GXFFZTMASA-N 1 2 389.315 2.170 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 ZINC000416536116 648164652 /nfs/dbraw/zinc/16/46/52/648164652.db2.gz OWALLARBLVTZNX-UHFFFAOYSA-N 1 2 396.669 2.496 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416651011 648202575 /nfs/dbraw/zinc/20/25/75/648202575.db2.gz AYLXUQQDKUONFE-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416651011 648202579 /nfs/dbraw/zinc/20/25/79/648202579.db2.gz AYLXUQQDKUONFE-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416651013 648202620 /nfs/dbraw/zinc/20/26/20/648202620.db2.gz AYLXUQQDKUONFE-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416651013 648202621 /nfs/dbraw/zinc/20/26/21/648202621.db2.gz AYLXUQQDKUONFE-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416661748 648205221 /nfs/dbraw/zinc/20/52/21/648205221.db2.gz JVSWUQAIJBAWJL-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416661748 648205226 /nfs/dbraw/zinc/20/52/26/648205226.db2.gz JVSWUQAIJBAWJL-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(F)cc1I ZINC000418121542 648282998 /nfs/dbraw/zinc/28/29/98/648282998.db2.gz XEZVJOLPUSRAEC-QMTHXVAHSA-N 1 2 379.213 2.402 20 0 GEADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(F)cc1I ZINC000418121542 648283003 /nfs/dbraw/zinc/28/30/03/648283003.db2.gz XEZVJOLPUSRAEC-QMTHXVAHSA-N 1 2 379.213 2.402 20 0 GEADLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCOc1cc(Cl)ccc1Cl ZINC000419348584 648349397 /nfs/dbraw/zinc/34/93/97/648349397.db2.gz SNKWURZADYISQU-ZDUSSCGKSA-N 1 2 375.252 2.126 20 0 GEADLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCOc1cc(Cl)ccc1Cl ZINC000419348584 648349399 /nfs/dbraw/zinc/34/93/99/648349399.db2.gz SNKWURZADYISQU-ZDUSSCGKSA-N 1 2 375.252 2.126 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)SCc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000419500867 648354380 /nfs/dbraw/zinc/35/43/80/648354380.db2.gz AOFOQMCNZZTPIW-OAHLLOKOSA-N 1 2 384.567 2.266 20 0 GEADLO Cc1cc(CNC(=O)C(=O)Nc2cc(Br)cnc2C)cc(C)[nH+]1 ZINC000421252765 648479269 /nfs/dbraw/zinc/47/92/69/648479269.db2.gz UXKIZRBDIDMQEO-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO CC(C)[N@@H+](Cc1ncc(Br)cc1Br)C[C@H](O)CO ZINC000421407297 648490645 /nfs/dbraw/zinc/49/06/45/648490645.db2.gz IXWFYIVQTPOSJG-JTQLQIEISA-N 1 2 382.096 2.170 20 0 GEADLO CC(C)[N@H+](Cc1ncc(Br)cc1Br)C[C@H](O)CO ZINC000421407297 648490646 /nfs/dbraw/zinc/49/06/46/648490646.db2.gz IXWFYIVQTPOSJG-JTQLQIEISA-N 1 2 382.096 2.170 20 0 GEADLO C[C@H](CNC(=O)C(=O)NCCc1cn(C)c[nH+]1)c1c(Cl)cccc1Cl ZINC000422292307 648534692 /nfs/dbraw/zinc/53/46/92/648534692.db2.gz ILQLJSSEWAHZCW-LLVKDONJSA-N 1 2 383.279 2.306 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424863103 648653784 /nfs/dbraw/zinc/65/37/84/648653784.db2.gz ZZQPINXLIZPHFS-GFCCVEGCSA-N 1 2 396.285 2.312 20 0 GEADLO C[C@H](SCCOCC(F)(F)F)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427700476 648725318 /nfs/dbraw/zinc/72/53/18/648725318.db2.gz AXKPDALRPRJBOH-ZDUSSCGKSA-N 1 2 377.432 2.431 20 0 GEADLO C[C@@H](C[S@](C)=O)N(C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428353565 648732825 /nfs/dbraw/zinc/73/28/25/648732825.db2.gz VMOIFSTVNNXPKK-SXBQZSJRSA-N 1 2 386.587 2.012 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1c(Cl)cc(F)cc1Cl ZINC000431806499 648771739 /nfs/dbraw/zinc/77/17/39/648771739.db2.gz BIHSUXSDIRELLJ-UHFFFAOYSA-N 1 2 387.242 2.914 20 0 GEADLO CS[C@H]1CN(C(=O)c2cc(F)cc(Br)c2O)C[C@H]1[NH+](C)C ZINC000436845892 648795801 /nfs/dbraw/zinc/79/58/01/648795801.db2.gz AQYADRWSXVAXTA-NEPJUHHUSA-N 1 2 377.279 2.411 20 0 GEADLO C[NH+](C)[C@]1(CNC(=O)c2cc(F)cc(Br)c2O)CCSC1 ZINC000436853581 648796816 /nfs/dbraw/zinc/79/68/16/648796816.db2.gz QYRRHWVQBJHTBV-AWEZNQCLSA-N 1 2 377.279 2.461 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)cc(Br)c2O)C1 ZINC000436852352 648796934 /nfs/dbraw/zinc/79/69/34/648796934.db2.gz PFOLTWQAFQQIIK-GFCCVEGCSA-N 1 2 389.265 2.380 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(F)cc(Br)c2O)C1 ZINC000436852352 648796938 /nfs/dbraw/zinc/79/69/38/648796938.db2.gz PFOLTWQAFQQIIK-GFCCVEGCSA-N 1 2 389.265 2.380 20 0 GEADLO C[NH+](C)CCOC1CCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436861032 648798162 /nfs/dbraw/zinc/79/81/62/648798162.db2.gz YZFGPGKUMRGTFL-UHFFFAOYSA-N 1 2 389.265 2.477 20 0 GEADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N[C@H](CO)CC(F)(F)F ZINC000443570143 648881608 /nfs/dbraw/zinc/88/16/08/648881608.db2.gz ZNCUFVJGAHBTBS-LBPRGKRZSA-N 1 2 379.810 2.311 20 0 GEADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N[C@H](CO)CC(F)(F)F ZINC000443570143 648881610 /nfs/dbraw/zinc/88/16/10/648881610.db2.gz ZNCUFVJGAHBTBS-LBPRGKRZSA-N 1 2 379.810 2.311 20 0 GEADLO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000548295441 651076137 /nfs/dbraw/zinc/07/61/37/651076137.db2.gz HHNBQSFRZLTJLT-LLVKDONJSA-N 1 2 399.314 2.005 20 0 GEADLO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000549883607 651102300 /nfs/dbraw/zinc/10/23/00/651102300.db2.gz FRGNPYYXDRNIJH-LBPRGKRZSA-N 1 2 375.281 2.241 20 0 GEADLO CCOc1cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc(Cl)c1O ZINC000551329370 651122370 /nfs/dbraw/zinc/12/23/70/651122370.db2.gz NDBZOPQBQSYMAH-ZDUSSCGKSA-N 1 2 376.906 2.346 20 0 GEADLO CCOc1cc(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc(Cl)c1O ZINC000551329370 651122372 /nfs/dbraw/zinc/12/23/72/651122372.db2.gz NDBZOPQBQSYMAH-ZDUSSCGKSA-N 1 2 376.906 2.346 20 0 GEADLO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000551397769 651123883 /nfs/dbraw/zinc/12/38/83/651123883.db2.gz OQUQYBAEKZUQHO-CYBMUJFWSA-N 1 2 393.285 2.117 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)NCCc1c[nH+]cn1C ZINC000552413753 651148853 /nfs/dbraw/zinc/14/88/53/651148853.db2.gz WKIQRWBSZSXFOJ-UHFFFAOYSA-N 1 2 380.242 2.123 20 0 GEADLO O=C(NCc1sccc1Br)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000552884927 651160270 /nfs/dbraw/zinc/16/02/70/651160270.db2.gz QJRQFUALLMHDIB-UHFFFAOYSA-N 1 2 397.298 2.256 20 0 GEADLO O=C(NCc1sccc1Br)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000552884927 651160271 /nfs/dbraw/zinc/16/02/71/651160271.db2.gz QJRQFUALLMHDIB-UHFFFAOYSA-N 1 2 397.298 2.256 20 0 GEADLO Cc1nnc(NC[C@H]2CCC[N@@H+]2Cc2ccc(I)cc2)o1 ZINC000553229056 651168493 /nfs/dbraw/zinc/16/84/93/651168493.db2.gz BNTYQPIFBYWVLJ-CQSZACIVSA-N 1 2 398.248 3.059 20 0 GEADLO Cc1nnc(NC[C@H]2CCC[N@H+]2Cc2ccc(I)cc2)o1 ZINC000553229056 651168500 /nfs/dbraw/zinc/16/85/00/651168500.db2.gz BNTYQPIFBYWVLJ-CQSZACIVSA-N 1 2 398.248 3.059 20 0 GEADLO CSCc1nnc(S[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000553867087 651191301 /nfs/dbraw/zinc/19/13/01/651191301.db2.gz DJHKKCQFDQUMMU-GFCCVEGCSA-N 1 2 379.511 2.157 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(Br)s1)C2 ZINC000554863036 651214660 /nfs/dbraw/zinc/21/46/60/651214660.db2.gz VOEUGEFELXTAHQ-SNVBAGLBSA-N 1 2 384.299 2.295 20 0 GEADLO CCC[N@H+](Cc1cnc2c(C)cc(Br)cn12)[C@H]1CC(=O)N(C)C1=O ZINC000555349035 651223637 /nfs/dbraw/zinc/22/36/37/651223637.db2.gz RKNQKBNURZTKNQ-AWEZNQCLSA-N 1 2 393.285 2.375 20 0 GEADLO CCC[N@@H+](Cc1cnc2c(C)cc(Br)cn12)[C@H]1CC(=O)N(C)C1=O ZINC000555349035 651223640 /nfs/dbraw/zinc/22/36/40/651223640.db2.gz RKNQKBNURZTKNQ-AWEZNQCLSA-N 1 2 393.285 2.375 20 0 GEADLO O=C(NCc1ccc(Br)cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000555913748 651233167 /nfs/dbraw/zinc/23/31/67/651233167.db2.gz XEOILFSGGAZVQL-UHFFFAOYSA-N 1 2 391.269 2.195 20 0 GEADLO O=C(NCc1ccc(Br)cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000555913748 651233171 /nfs/dbraw/zinc/23/31/71/651233171.db2.gz XEOILFSGGAZVQL-UHFFFAOYSA-N 1 2 391.269 2.195 20 0 GEADLO O=S(=O)(CCC(F)(F)F)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000556398124 651242640 /nfs/dbraw/zinc/24/26/40/651242640.db2.gz HQOIZBTXZXPGFN-UHFFFAOYSA-N 1 2 399.866 2.334 20 0 GEADLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000558863656 651287057 /nfs/dbraw/zinc/28/70/57/651287057.db2.gz CBPCBBCCZJFKJB-AWEZNQCLSA-N 1 2 376.425 2.122 20 0 GEADLO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000558863656 651287058 /nfs/dbraw/zinc/28/70/58/651287058.db2.gz CBPCBBCCZJFKJB-AWEZNQCLSA-N 1 2 376.425 2.122 20 0 GEADLO COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CCCc3ccc(Br)cc32)nn1 ZINC000603239675 651473349 /nfs/dbraw/zinc/47/33/49/651473349.db2.gz JOLGQWXLAATFHZ-CABCVRRESA-N 1 2 379.258 2.009 20 0 GEADLO CC[S@](=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000603295496 651477697 /nfs/dbraw/zinc/47/76/97/651477697.db2.gz ZGDVBAUPNLGXJX-YPCHGGDPSA-N 1 2 384.567 2.033 20 0 GEADLO CC[S@](=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000603295496 651477700 /nfs/dbraw/zinc/47/77/00/651477700.db2.gz ZGDVBAUPNLGXJX-YPCHGGDPSA-N 1 2 384.567 2.033 20 0 GEADLO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)s2)c2ccccc2O1 ZINC000643309614 651483003 /nfs/dbraw/zinc/48/30/03/651483003.db2.gz RKZDSJCZLHMHOT-GFCCVEGCSA-N 1 2 380.491 2.121 20 0 GEADLO CCN1C(=O)[C@@H]2C[N@H+](Cc3nc4ccc(Br)cc4o3)CCN2C1=O ZINC000643373653 651484371 /nfs/dbraw/zinc/48/43/71/651484371.db2.gz AJHIXBFQPRILRI-LBPRGKRZSA-N 1 2 393.241 2.059 20 0 GEADLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3nc4ccc(Br)cc4o3)CCN2C1=O ZINC000643373653 651484375 /nfs/dbraw/zinc/48/43/75/651484375.db2.gz AJHIXBFQPRILRI-LBPRGKRZSA-N 1 2 393.241 2.059 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(I)cc2)CCO1 ZINC000726258062 651488800 /nfs/dbraw/zinc/48/88/00/651488800.db2.gz VATRLJBUDOXSCI-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(I)cc2)CCO1 ZINC000726258062 651488803 /nfs/dbraw/zinc/48/88/03/651488803.db2.gz VATRLJBUDOXSCI-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO O=C(c1ncc(I)s1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000603438065 651493513 /nfs/dbraw/zinc/49/35/13/651493513.db2.gz XFECNIHNSNTAEU-SECBINFHSA-N 1 2 388.234 2.422 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000605055045 651528109 /nfs/dbraw/zinc/52/81/09/651528109.db2.gz IQOLJULPNHPTLJ-JTQLQIEISA-N 1 2 377.329 2.233 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000605055045 651528113 /nfs/dbraw/zinc/52/81/13/651528113.db2.gz IQOLJULPNHPTLJ-JTQLQIEISA-N 1 2 377.329 2.233 20 0 GEADLO CO[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000728050725 651535586 /nfs/dbraw/zinc/53/55/86/651535586.db2.gz YMVCRNGRUAYAGT-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO CO[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000728050725 651535588 /nfs/dbraw/zinc/53/55/88/651535588.db2.gz YMVCRNGRUAYAGT-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000607334141 651572379 /nfs/dbraw/zinc/57/23/79/651572379.db2.gz SEXOAFGOEDYSPR-INIZCTEOSA-N 1 2 381.885 2.490 20 0 GEADLO COc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc(Br)c1OC ZINC000565662956 651596896 /nfs/dbraw/zinc/59/68/96/651596896.db2.gz TXIKNSIUAMUTDX-LLVKDONJSA-N 1 2 380.242 2.408 20 0 GEADLO Brc1ccc2nc(CN3CCC[C@H]3C[NH+]3CCOCC3)cn2c1 ZINC000608510661 651600051 /nfs/dbraw/zinc/60/00/51/651600051.db2.gz XCAJMCPYRSKTMP-INIZCTEOSA-N 1 2 379.302 2.393 20 0 GEADLO COc1cc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(Br)cc1O ZINC000645453106 651605975 /nfs/dbraw/zinc/60/59/75/651605975.db2.gz BYIFNXJXLMBQBI-LLVKDONJSA-N 1 2 395.257 2.174 20 0 GEADLO C[C@H](CC(=O)Nc1cnc(N2CCOCC2)c(Br)c1)n1cc[nH+]c1 ZINC000566858373 651615794 /nfs/dbraw/zinc/61/57/94/651615794.db2.gz NEQLZJQZMLHPTR-GFCCVEGCSA-N 1 2 394.273 2.467 20 0 GEADLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000609770772 651631342 /nfs/dbraw/zinc/63/13/42/651631342.db2.gz BOMOGIRBGHBAPA-HKLWWIALSA-N 1 2 381.270 2.216 20 0 GEADLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000609770772 651631346 /nfs/dbraw/zinc/63/13/46/651631346.db2.gz BOMOGIRBGHBAPA-HKLWWIALSA-N 1 2 381.270 2.216 20 0 GEADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC/C=C/c1ccc(Br)cc1 ZINC000609770782 651631362 /nfs/dbraw/zinc/63/13/62/651631362.db2.gz BOMOGIRBGHBAPA-TXTHVTMNSA-N 1 2 381.270 2.216 20 0 GEADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC/C=C/c1ccc(Br)cc1 ZINC000609770782 651631366 /nfs/dbraw/zinc/63/13/66/651631366.db2.gz BOMOGIRBGHBAPA-TXTHVTMNSA-N 1 2 381.270 2.216 20 0 GEADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000567975788 651642857 /nfs/dbraw/zinc/64/28/57/651642857.db2.gz CKSVASJNIWEAIY-LBPRGKRZSA-N 1 2 378.274 2.268 20 0 GEADLO O=C(CN1CCC[C@@H]([NH+]2CCOCC2)C1)Nc1ccccc1Br ZINC000568178823 651654485 /nfs/dbraw/zinc/65/44/85/651654485.db2.gz YMTFZNHHRFHLQJ-CQSZACIVSA-N 1 2 382.302 2.184 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000732457650 651658031 /nfs/dbraw/zinc/65/80/31/651658031.db2.gz JNQMBXUFULTDDZ-IAQYHMDHSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000732457650 651658035 /nfs/dbraw/zinc/65/80/35/651658035.db2.gz JNQMBXUFULTDDZ-IAQYHMDHSA-N 1 2 376.284 2.047 20 0 GEADLO Cc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)cc(C)[nH+]1 ZINC000568498726 651669423 /nfs/dbraw/zinc/66/94/23/651669423.db2.gz KUUQTHAYZNQWSR-UHFFFAOYSA-N 1 2 387.914 2.350 20 0 GEADLO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000646022972 651674861 /nfs/dbraw/zinc/67/48/61/651674861.db2.gz IDDWOWXNAVTXAQ-HNNXBMFYSA-N 1 2 391.693 2.337 20 0 GEADLO CCS(=O)(=O)C1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000568986362 651693919 /nfs/dbraw/zinc/69/39/19/651693919.db2.gz ANQDAONGBQKIBG-GFCCVEGCSA-N 1 2 386.543 2.026 20 0 GEADLO CCS(=O)(=O)C1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000568986362 651693921 /nfs/dbraw/zinc/69/39/21/651693921.db2.gz ANQDAONGBQKIBG-GFCCVEGCSA-N 1 2 386.543 2.026 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000611002662 651698593 /nfs/dbraw/zinc/69/85/93/651698593.db2.gz VKJPTJUIRCIZIR-LBPRGKRZSA-N 1 2 383.857 2.349 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)[C@H](CS(C)(=O)=O)c1ccccc1)c1cccs1 ZINC000646576726 651703104 /nfs/dbraw/zinc/70/31/04/651703104.db2.gz IUVBNVMOTMSRKV-HZPDHXFCSA-N 1 2 380.535 2.295 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)[C@H](CS(C)(=O)=O)c1ccccc1)c1cccs1 ZINC000646576724 651703190 /nfs/dbraw/zinc/70/31/90/651703190.db2.gz IUVBNVMOTMSRKV-CVEARBPZSA-N 1 2 380.535 2.295 20 0 GEADLO CO[C@H](CS(=O)(=O)N(CC(F)(F)F)c1cc[nH+]cc1)C1CCOCC1 ZINC000647272022 651739037 /nfs/dbraw/zinc/73/90/37/651739037.db2.gz XKOPGXPGFIMZMZ-CQSZACIVSA-N 1 2 382.404 2.222 20 0 GEADLO CCc1nnc(CSCCC(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000612024371 651742276 /nfs/dbraw/zinc/74/22/76/651742276.db2.gz VOSPOLJZKIMQFP-UHFFFAOYSA-N 1 2 377.539 2.468 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)c1nc[nH+]c2c1OCCN2 ZINC000647847081 651763250 /nfs/dbraw/zinc/76/32/50/651763250.db2.gz YIJGJYMGMOMUJN-UHFFFAOYSA-N 1 2 392.257 2.427 20 0 GEADLO Cc1[nH]c(=O)[nH]c1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000570526644 651772773 /nfs/dbraw/zinc/77/27/73/651772773.db2.gz LZTCTYJJEMPVRP-UHFFFAOYSA-N 1 2 394.229 2.318 20 0 GEADLO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCc1c[nH+]cn1C ZINC000570611616 651778275 /nfs/dbraw/zinc/77/82/75/651778275.db2.gz RFADCBOJVRRTCP-UHFFFAOYSA-N 1 2 395.257 2.225 20 0 GEADLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000648358495 651782357 /nfs/dbraw/zinc/78/23/57/651782357.db2.gz KYMVHAGSUQNGOD-INIZCTEOSA-N 1 2 379.551 2.442 20 0 GEADLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000648358495 651782363 /nfs/dbraw/zinc/78/23/63/651782363.db2.gz KYMVHAGSUQNGOD-INIZCTEOSA-N 1 2 379.551 2.442 20 0 GEADLO COCCCC[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000735492661 651783637 /nfs/dbraw/zinc/78/36/37/651783637.db2.gz RPPJLOADSGXBIW-UHFFFAOYSA-N 1 2 380.432 2.438 20 0 GEADLO C[C@@H](NC(=O)c1c2ccc(Br)cc2nn1C)[C@@H](C)[NH+]1CCOCC1 ZINC000648771298 651801114 /nfs/dbraw/zinc/80/11/14/651801114.db2.gz MAVQKZNWCRHHIT-VXGBXAGGSA-N 1 2 395.301 2.175 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2c(F)ccc(Br)c2OC)CC1 ZINC000648781356 651802630 /nfs/dbraw/zinc/80/26/30/651802630.db2.gz DKDJWMAJRLCUKD-UHFFFAOYSA-N 1 2 375.238 2.001 20 0 GEADLO Cc1nnc([C@H]2CC[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)[nH]1 ZINC000571292224 651823762 /nfs/dbraw/zinc/82/37/62/651823762.db2.gz SBHOBLPQSBMHNL-WFASDCNBSA-N 1 2 390.285 2.470 20 0 GEADLO Cc1n[nH]c([C@H]2CC[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)n1 ZINC000571292224 651823763 /nfs/dbraw/zinc/82/37/63/651823763.db2.gz SBHOBLPQSBMHNL-WFASDCNBSA-N 1 2 390.285 2.470 20 0 GEADLO Cc1n[nH]c([C@H]2CC[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)n1 ZINC000571292224 651823766 /nfs/dbraw/zinc/82/37/66/651823766.db2.gz SBHOBLPQSBMHNL-WFASDCNBSA-N 1 2 390.285 2.470 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)cc1F ZINC000614719340 651834428 /nfs/dbraw/zinc/83/44/28/651834428.db2.gz XIGDUXRZEBPXEH-WFASDCNBSA-N 1 2 385.277 2.452 20 0 GEADLO C[C@H](CC(=O)Nc1cc(N2CCOCC2)c(Br)cn1)n1cc[nH+]c1 ZINC000571568444 651840663 /nfs/dbraw/zinc/84/06/63/651840663.db2.gz PQSSPDNOFORSPS-GFCCVEGCSA-N 1 2 394.273 2.467 20 0 GEADLO OC[C@H]([NH2+]Cc1noc(Cc2ccc(Br)cc2)n1)C1CCOCC1 ZINC000571833063 651856651 /nfs/dbraw/zinc/85/66/51/651856651.db2.gz FZKFKTAFMKCPEL-HNNXBMFYSA-N 1 2 396.285 2.300 20 0 GEADLO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615553002 651867530 /nfs/dbraw/zinc/86/75/30/651867530.db2.gz JVIZQBSAOBKHPF-ZDUSSCGKSA-N 1 2 397.269 2.115 20 0 GEADLO Cc1csc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1I ZINC000615770651 651875725 /nfs/dbraw/zinc/87/57/25/651875725.db2.gz JCCBFLZPZPBAGI-VHSXEESVSA-N 1 2 394.278 2.110 20 0 GEADLO Cc1csc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1I ZINC000615770651 651875726 /nfs/dbraw/zinc/87/57/26/651875726.db2.gz JCCBFLZPZPBAGI-VHSXEESVSA-N 1 2 394.278 2.110 20 0 GEADLO CC[N@H+](C[C@@H]1CCOC1)Cn1ncc(Br)c(Br)c1=O ZINC000738079249 651879340 /nfs/dbraw/zinc/87/93/40/651879340.db2.gz AYAFJOUVCCOPCD-VIFPVBQESA-N 1 2 395.095 2.084 20 0 GEADLO CC[N@@H+](C[C@@H]1CCOC1)Cn1ncc(Br)c(Br)c1=O ZINC000738079249 651879344 /nfs/dbraw/zinc/87/93/44/651879344.db2.gz AYAFJOUVCCOPCD-VIFPVBQESA-N 1 2 395.095 2.084 20 0 GEADLO C[C@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)CCCO1 ZINC000738160439 651882786 /nfs/dbraw/zinc/88/27/86/651882786.db2.gz JJGMFTMDZWLKEX-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)CCCO1 ZINC000738160439 651882789 /nfs/dbraw/zinc/88/27/89/651882789.db2.gz JJGMFTMDZWLKEX-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000738354231 651892134 /nfs/dbraw/zinc/89/21/34/651892134.db2.gz APOOCAWCEPSZJJ-NSHDSACASA-N 1 2 382.313 2.024 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000738354231 651892135 /nfs/dbraw/zinc/89/21/35/651892135.db2.gz APOOCAWCEPSZJJ-NSHDSACASA-N 1 2 382.313 2.024 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)[C@@H](C)C1 ZINC000651651689 651893207 /nfs/dbraw/zinc/89/32/07/651893207.db2.gz HASWUWJUQUJRQU-UWVGGRQHSA-N 1 2 387.354 2.272 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)[C@@H](C)C1 ZINC000651651689 651893213 /nfs/dbraw/zinc/89/32/13/651893213.db2.gz HASWUWJUQUJRQU-UWVGGRQHSA-N 1 2 387.354 2.272 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C(C)(C)C1 ZINC000651901554 651900347 /nfs/dbraw/zinc/90/03/47/651900347.db2.gz RJLJDTYQQDCBRM-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C(C)(C)C1 ZINC000651901554 651900353 /nfs/dbraw/zinc/90/03/53/651900353.db2.gz RJLJDTYQQDCBRM-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO C[C@@H](O)CNc1cc(NCc2cc(Br)cc3c2OCC3)nc[nH+]1 ZINC000572730664 651909245 /nfs/dbraw/zinc/90/92/45/651909245.db2.gz XUKPCRJFNJTHGI-SNVBAGLBSA-N 1 2 379.258 2.579 20 0 GEADLO C[C@@H](O)CNc1cc(NCc2cc(Br)cc3c2OCC3)[nH+]cn1 ZINC000572730664 651909257 /nfs/dbraw/zinc/90/92/57/651909257.db2.gz XUKPCRJFNJTHGI-SNVBAGLBSA-N 1 2 379.258 2.579 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(CO)c1ccc(Br)cc1 ZINC000616829032 651911432 /nfs/dbraw/zinc/91/14/32/651911432.db2.gz IJKXTKYXQCBPCG-CPUCHLNUSA-N 1 2 378.270 2.310 20 0 GEADLO CC(=O)N1CC[NH+](Cc2ccc(NS(=O)(=O)c3ccsc3)cc2)CC1 ZINC000572861137 651917633 /nfs/dbraw/zinc/91/76/33/651917633.db2.gz HBQQVMZWCNKBFL-UHFFFAOYSA-N 1 2 379.507 2.213 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cccc(Br)c2C)CC1 ZINC000652999711 651931628 /nfs/dbraw/zinc/93/16/28/651931628.db2.gz HDSFNEMDXQIWRO-UHFFFAOYSA-N 1 2 385.302 2.178 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000653001766 651931883 /nfs/dbraw/zinc/93/18/83/651931883.db2.gz CXXHSHWNZAYLOQ-UHFFFAOYSA-N 1 2 389.265 2.009 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000653000611 651931963 /nfs/dbraw/zinc/93/19/63/651931963.db2.gz LWMUZECRWHJADC-UHFFFAOYSA-N 1 2 389.265 2.009 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2c(C)ccc(Br)c2C)CC1 ZINC000573070052 651932655 /nfs/dbraw/zinc/93/26/55/651932655.db2.gz LFFFZGMGLWMYAM-UHFFFAOYSA-N 1 2 399.329 2.485 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000741086701 651935481 /nfs/dbraw/zinc/93/54/81/651935481.db2.gz LENDHLAATNQIPA-RISCZKNCSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000741086701 651935483 /nfs/dbraw/zinc/93/54/83/651935483.db2.gz LENDHLAATNQIPA-RISCZKNCSA-N 1 2 376.284 2.047 20 0 GEADLO CO[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccccc1Br ZINC000653823328 651956848 /nfs/dbraw/zinc/95/68/48/651956848.db2.gz BSAPGKRUNHHCQY-ZQIUZPCESA-N 1 2 397.313 2.458 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1c2ccc(Br)cc2nn1C ZINC000617721394 651966300 /nfs/dbraw/zinc/96/63/00/651966300.db2.gz OVVGYHPJYQCLAI-NEPJUHHUSA-N 1 2 395.301 2.175 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1c2ccc(Br)cc2nn1C ZINC000617721394 651966309 /nfs/dbraw/zinc/96/63/09/651966309.db2.gz OVVGYHPJYQCLAI-NEPJUHHUSA-N 1 2 395.301 2.175 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cc3c2OCCO3)[C@H](C)CO1 ZINC000617721541 651966396 /nfs/dbraw/zinc/96/63/96/651966396.db2.gz QYCQCDZYSNQVTH-VXGBXAGGSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc3c2OCCO3)[C@H](C)CO1 ZINC000617721541 651966400 /nfs/dbraw/zinc/96/64/00/651966400.db2.gz QYCQCDZYSNQVTH-VXGBXAGGSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000617723330 651967191 /nfs/dbraw/zinc/96/71/91/651967191.db2.gz LQNOFBFUUHGASZ-MNOVXSKESA-N 1 2 381.274 2.164 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000617723330 651967199 /nfs/dbraw/zinc/96/71/99/651967199.db2.gz LQNOFBFUUHGASZ-MNOVXSKESA-N 1 2 381.274 2.164 20 0 GEADLO COc1ccc(Br)c(CC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000617730497 651968236 /nfs/dbraw/zinc/96/82/36/651968236.db2.gz NKBALLVCQKPGKA-OLZOCXBDSA-N 1 2 385.302 2.226 20 0 GEADLO COc1ccc(Br)c(CC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000617730497 651968243 /nfs/dbraw/zinc/96/82/43/651968243.db2.gz NKBALLVCQKPGKA-OLZOCXBDSA-N 1 2 385.302 2.226 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617724843 651968462 /nfs/dbraw/zinc/96/84/62/651968462.db2.gz CNEOSXUJXVKQIF-QWRGUYRKSA-N 1 2 386.290 2.000 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617724843 651968465 /nfs/dbraw/zinc/96/84/65/651968465.db2.gz CNEOSXUJXVKQIF-QWRGUYRKSA-N 1 2 386.290 2.000 20 0 GEADLO C[C@@H](CC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)NC(N)=O ZINC000654975008 651968825 /nfs/dbraw/zinc/96/88/25/651968825.db2.gz JIILZESFGNGDFK-LBPRGKRZSA-N 1 2 387.311 2.127 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)CSc2ccc(C(F)(F)F)cn2)[C@@H](C)CO1 ZINC000617743407 651969982 /nfs/dbraw/zinc/96/99/82/651969982.db2.gz JEXJTCMGGLOOGB-RYUDHWBXSA-N 1 2 377.432 2.418 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)CSc2ccc(C(F)(F)F)cn2)[C@@H](C)CO1 ZINC000617743407 651969987 /nfs/dbraw/zinc/96/99/87/651969987.db2.gz JEXJTCMGGLOOGB-RYUDHWBXSA-N 1 2 377.432 2.418 20 0 GEADLO C[C@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000573980693 651993135 /nfs/dbraw/zinc/99/31/35/651993135.db2.gz XDUIWWGIETYMAR-LBPRGKRZSA-N 1 2 380.495 2.224 20 0 GEADLO C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000573980693 651993139 /nfs/dbraw/zinc/99/31/39/651993139.db2.gz XDUIWWGIETYMAR-LBPRGKRZSA-N 1 2 380.495 2.224 20 0 GEADLO COc1ccc(Br)c([C@H]2C(=O)N(CCn3cc[nH+]c3)C(=O)N2C)c1 ZINC000574167672 652005274 /nfs/dbraw/zinc/00/52/74/652005274.db2.gz OWTFMAATIMLHLX-AWEZNQCLSA-N 1 2 393.241 2.290 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCc2c1cccc2Br ZINC000574267564 652012148 /nfs/dbraw/zinc/01/21/48/652012148.db2.gz VMCQUZMTJUVBNQ-UHFFFAOYSA-N 1 2 391.269 2.131 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)c1nccn1-c1ccc(Br)cc1 ZINC000574479371 652024422 /nfs/dbraw/zinc/02/44/22/652024422.db2.gz ZMFPBDJHSVEQDP-UHFFFAOYSA-N 1 2 381.255 2.342 20 0 GEADLO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)CCn2cc(Br)cn2)c1C ZINC000574670784 652035461 /nfs/dbraw/zinc/03/54/61/652035461.db2.gz GXWHBIXHYBTXTC-UHFFFAOYSA-N 1 2 397.273 2.192 20 0 GEADLO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)CCn2cc(Br)cn2)c1C ZINC000574670784 652035464 /nfs/dbraw/zinc/03/54/64/652035464.db2.gz GXWHBIXHYBTXTC-UHFFFAOYSA-N 1 2 397.273 2.192 20 0 GEADLO O=S(=O)(CCc1ccccc1Cl)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000656936342 652068075 /nfs/dbraw/zinc/06/80/75/652068075.db2.gz KAPSBROWKJVDOB-MSOLQXFVSA-N 1 2 386.945 2.445 20 0 GEADLO CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746321019 652099913 /nfs/dbraw/zinc/09/99/13/652099913.db2.gz LNWMXILVCJWLJV-OCCSQVGLSA-N 1 2 377.501 2.122 20 0 GEADLO CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746321019 652099917 /nfs/dbraw/zinc/09/99/17/652099917.db2.gz LNWMXILVCJWLJV-OCCSQVGLSA-N 1 2 377.501 2.122 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746472375 652109942 /nfs/dbraw/zinc/10/99/42/652109942.db2.gz FDXPOYOAQHJLHB-MCFWBGNESA-N 1 2 392.352 2.317 20 0 GEADLO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@H]1CCn2cc[nH+]c2C1 ZINC000576653179 652134366 /nfs/dbraw/zinc/13/43/66/652134366.db2.gz LZAQVHURWWUGHK-GXTWGEPZSA-N 1 2 375.226 2.254 20 0 GEADLO Nc1nn2c(nc(C[N@@H+]3CCC[C@H]3c3ccc(Cl)c(Cl)c3)cc2=O)[nH]1 ZINC000621248276 652137234 /nfs/dbraw/zinc/13/72/34/652137234.db2.gz BOJUBCILQIUXAI-ZDUSSCGKSA-N 1 2 379.251 2.474 20 0 GEADLO Nc1nn2c(nc(C[N@H+]3CCC[C@H]3c3ccc(Cl)c(Cl)c3)cc2=O)[nH]1 ZINC000621248276 652137241 /nfs/dbraw/zinc/13/72/41/652137241.db2.gz BOJUBCILQIUXAI-ZDUSSCGKSA-N 1 2 379.251 2.474 20 0 GEADLO CCSc1nnc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)s1 ZINC000576692349 652138409 /nfs/dbraw/zinc/13/84/09/652138409.db2.gz BJNDZKSFOWXZHJ-NSHDSACASA-N 1 2 382.515 2.085 20 0 GEADLO CCSc1nnc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)s1 ZINC000576692349 652138413 /nfs/dbraw/zinc/13/84/13/652138413.db2.gz BJNDZKSFOWXZHJ-NSHDSACASA-N 1 2 382.515 2.085 20 0 GEADLO C[NH+]1CCN(c2ccccc2NC(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000747203151 652148244 /nfs/dbraw/zinc/14/82/44/652148244.db2.gz OXTIZLLJTBVPDA-UHFFFAOYSA-N 1 2 381.552 2.309 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1CSC1=NCCS1 ZINC000747207687 652148756 /nfs/dbraw/zinc/14/87/56/652148756.db2.gz MZPMPHMTBZTMAB-CQSZACIVSA-N 1 2 379.551 2.473 20 0 GEADLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1CO ZINC000621366330 652152181 /nfs/dbraw/zinc/15/21/81/652152181.db2.gz JMTIYSOZRGNSGF-STQMWFEESA-N 1 2 376.316 2.173 20 0 GEADLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1CO ZINC000621366330 652152182 /nfs/dbraw/zinc/15/21/82/652152182.db2.gz JMTIYSOZRGNSGF-STQMWFEESA-N 1 2 376.316 2.173 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000747281281 652154780 /nfs/dbraw/zinc/15/47/80/652154780.db2.gz AJMRYQGICPXOJX-VDBIKXPHSA-N 1 2 386.901 2.210 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000747281283 652155064 /nfs/dbraw/zinc/15/50/64/652155064.db2.gz AJMRYQGICPXOJX-YRBHFNIASA-N 1 2 386.901 2.210 20 0 GEADLO Cc1[nH+]ccn1-c1ncccc1CNC(=O)CSc1n[nH]c(=S)s1 ZINC000747368249 652159763 /nfs/dbraw/zinc/15/97/63/652159763.db2.gz DMYLPSRDUYHDEO-UHFFFAOYSA-N 1 2 378.508 2.124 20 0 GEADLO CC(=O)N[C@@H](CC(=O)OCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000747781474 652178568 /nfs/dbraw/zinc/17/85/68/652178568.db2.gz LOCLXBZGQHVCQC-HNNXBMFYSA-N 1 2 380.242 2.493 20 0 GEADLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC000657604051 652179013 /nfs/dbraw/zinc/17/90/13/652179013.db2.gz LHYSHLOAQDLURM-STQMWFEESA-N 1 2 382.707 2.313 20 0 GEADLO Cc1nc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)sc1S(N)(=O)=O ZINC000577720753 652210531 /nfs/dbraw/zinc/21/05/31/652210531.db2.gz JZXCJMLSSYICHF-LBPRGKRZSA-N 1 2 384.502 2.121 20 0 GEADLO NS(=O)(=O)c1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1Cl ZINC000577884325 652226541 /nfs/dbraw/zinc/22/65/41/652226541.db2.gz IPWNUSVIKSEBLY-UHFFFAOYSA-N 1 2 382.873 2.005 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000623270216 652229893 /nfs/dbraw/zinc/22/98/93/652229893.db2.gz AGVKVQGXACOVKU-MFKMUULPSA-N 1 2 379.247 2.284 20 0 GEADLO CCOC(=O)CC1(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000578098979 652242952 /nfs/dbraw/zinc/24/29/52/652242952.db2.gz WRHFADCOJURCDH-HNNXBMFYSA-N 1 2 388.917 2.348 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CCc3c[nH+]ccc32)ccc1Br ZINC000749313262 652246543 /nfs/dbraw/zinc/24/65/43/652246543.db2.gz MGZDXAQWPFXEFE-UHFFFAOYSA-N 1 2 397.250 2.382 20 0 GEADLO C[N@@H+]1CCO[C@H](c2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000578176939 652250694 /nfs/dbraw/zinc/25/06/94/652250694.db2.gz IEISSHRQMISDNL-NSHDSACASA-N 1 2 391.229 2.287 20 0 GEADLO C[N@H+]1CCO[C@H](c2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000578176939 652250721 /nfs/dbraw/zinc/25/07/21/652250721.db2.gz IEISSHRQMISDNL-NSHDSACASA-N 1 2 391.229 2.287 20 0 GEADLO C[C@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1nccn1C ZINC000658338821 652254645 /nfs/dbraw/zinc/25/46/45/652254645.db2.gz MGOIOWQLRZHMEG-UWVGGRQHSA-N 1 2 387.303 2.242 20 0 GEADLO C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cc(Cl)ccc1OC(F)F ZINC000624283180 652280080 /nfs/dbraw/zinc/28/00/80/652280080.db2.gz HBXPUIHPJLLLJD-SECBINFHSA-N 1 2 383.848 2.083 20 0 GEADLO COc1ccc(Br)cc1CNC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000578618490 652283173 /nfs/dbraw/zinc/28/31/73/652283173.db2.gz BLKYVRJGWAWTHG-IOASZLSFSA-N 1 2 387.318 2.017 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000750626332 652302697 /nfs/dbraw/zinc/30/26/97/652302697.db2.gz UHZQACAHSVUJIO-FTJNGKRUSA-N 1 2 379.404 2.156 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000750626332 652302700 /nfs/dbraw/zinc/30/27/00/652302700.db2.gz UHZQACAHSVUJIO-FTJNGKRUSA-N 1 2 379.404 2.156 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000658709910 652305152 /nfs/dbraw/zinc/30/51/52/652305152.db2.gz OUPJLFYYEVLHEP-GFCCVEGCSA-N 1 2 381.263 2.359 20 0 GEADLO O=S(=O)(CC[NH2+][C@H]1CCc2cn[nH]c2C1)c1cccc(Br)c1 ZINC000579112862 652317774 /nfs/dbraw/zinc/31/77/74/652317774.db2.gz OKWVZSWDOHBQSP-ZDUSSCGKSA-N 1 2 384.299 2.093 20 0 GEADLO Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000579108206 652317964 /nfs/dbraw/zinc/31/79/64/652317964.db2.gz AGGLXKWMEAHLMS-SNVBAGLBSA-N 1 2 383.258 2.281 20 0 GEADLO O=S(=O)(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cccnc1Cl ZINC000751257347 652335452 /nfs/dbraw/zinc/33/54/52/652335452.db2.gz ZCKHNEHRAWZPKL-UHFFFAOYSA-N 1 2 387.933 2.296 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000579411776 652336001 /nfs/dbraw/zinc/33/60/01/652336001.db2.gz AEEOMCLBBQYRBK-UHFFFAOYSA-N 1 2 381.885 2.392 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N(CCO)Cc1cccc(Br)c1 ZINC000579425036 652336472 /nfs/dbraw/zinc/33/64/72/652336472.db2.gz HXNWWHGBXQCWCN-HNNXBMFYSA-N 1 2 393.285 2.165 20 0 GEADLO O=C(C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1)Nc1nn[nH]n1 ZINC000579446246 652338034 /nfs/dbraw/zinc/33/80/34/652338034.db2.gz RVOZQNCHPXZEAL-UHFFFAOYSA-N 1 2 385.255 2.236 20 0 GEADLO CC[C@H](NC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl)C(=O)N1CCOCC1 ZINC000659250596 652350743 /nfs/dbraw/zinc/35/07/43/652350743.db2.gz MGKJMIPXRLPTEE-DZGCQCFKSA-N 1 2 388.295 2.008 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Cl)N1CCC([NH+]2CCOCC2)CC1 ZINC000625605308 652361000 /nfs/dbraw/zinc/36/10/00/652361000.db2.gz AEOLCZPECLXCLS-UHFFFAOYSA-N 1 2 376.881 2.106 20 0 GEADLO COc1cc(C[N@H+](C)Cc2coc(S(N)(=O)=O)c2)ccc1OC(F)F ZINC000659830725 652367084 /nfs/dbraw/zinc/36/70/84/652367084.db2.gz KVAIZHLCHMYSNH-UHFFFAOYSA-N 1 2 376.381 2.169 20 0 GEADLO COc1cc(C[N@@H+](C)Cc2coc(S(N)(=O)=O)c2)ccc1OC(F)F ZINC000659830725 652367089 /nfs/dbraw/zinc/36/70/89/652367089.db2.gz KVAIZHLCHMYSNH-UHFFFAOYSA-N 1 2 376.381 2.169 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)Cc1ccc(F)cc1F ZINC000580111978 652367277 /nfs/dbraw/zinc/36/72/77/652367277.db2.gz YANGQDMMHUWPAN-UHFFFAOYSA-N 1 2 376.469 2.085 20 0 GEADLO COCCc1nc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)no1 ZINC000625796953 652371834 /nfs/dbraw/zinc/37/18/34/652371834.db2.gz ODIYZLUIELOFJJ-QGZVFWFLSA-N 1 2 396.285 2.031 20 0 GEADLO CC(C)(C(=O)N[C@H]1CCn2cc[nH+]c2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000580242836 652372150 /nfs/dbraw/zinc/37/21/50/652372150.db2.gz ZLKBHZNMEPHGJW-ZDUSSCGKSA-N 1 2 381.885 2.220 20 0 GEADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2coc(S(N)(=O)=O)c2)CC1 ZINC000659958828 652374397 /nfs/dbraw/zinc/37/43/97/652374397.db2.gz APINKWRRXYXZJG-CYBMUJFWSA-N 1 2 383.901 2.459 20 0 GEADLO COC(=O)[C@@](C)(O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000580305243 652375060 /nfs/dbraw/zinc/37/50/60/652375060.db2.gz UNNFJDSWKZFTRO-HNNXBMFYSA-N 1 2 380.794 2.405 20 0 GEADLO O=C(NC[C@H]1CC12CCSCC2)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000580308293 652375070 /nfs/dbraw/zinc/37/50/70/652375070.db2.gz MLSOVJWKJDJTLX-QAPCUYQASA-N 1 2 385.599 2.027 20 0 GEADLO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cccc(Br)c2O)CC1 ZINC000580522507 652381345 /nfs/dbraw/zinc/38/13/45/652381345.db2.gz BMHOCKOAQHTOIX-UHFFFAOYSA-N 1 2 384.318 2.301 20 0 GEADLO COCCCOCC[N@H+](C)CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660170460 652392288 /nfs/dbraw/zinc/39/22/88/652392288.db2.gz GPLCARUTEYTQBW-UHFFFAOYSA-N 1 2 384.274 2.493 20 0 GEADLO COCCCOCC[N@@H+](C)CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660170460 652392290 /nfs/dbraw/zinc/39/22/90/652392290.db2.gz GPLCARUTEYTQBW-UHFFFAOYSA-N 1 2 384.274 2.493 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)COCC(F)F)[nH+]c12 ZINC000626445865 652392935 /nfs/dbraw/zinc/39/29/35/652392935.db2.gz RKRJFVNPPHSSIY-UHFFFAOYSA-N 1 2 376.201 2.346 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752866148 652395101 /nfs/dbraw/zinc/39/51/01/652395101.db2.gz OHOBMMRCUUWCPV-XHBSWPGZSA-N 1 2 390.311 2.435 20 0 GEADLO COc1ccc(C(=O)Nc2cc(N(C)C)cc[nH+]2)nc1I ZINC000753023623 652398129 /nfs/dbraw/zinc/39/81/29/652398129.db2.gz XHDAMVXOTOGNPR-UHFFFAOYSA-N 1 2 398.204 2.408 20 0 GEADLO O=C(NCc1cc(F)ccc1Br)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660368368 652399864 /nfs/dbraw/zinc/39/98/64/652399864.db2.gz ZMECVYRTHOMCFV-CQSZACIVSA-N 1 2 386.265 2.204 20 0 GEADLO O=C(NCc1cc(F)cc(Br)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660370088 652399962 /nfs/dbraw/zinc/39/99/62/652399962.db2.gz GXUWEZAEGJPVAL-OAHLLOKOSA-N 1 2 386.265 2.204 20 0 GEADLO CC(C)(CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)CC(F)(F)F ZINC000660445664 652402406 /nfs/dbraw/zinc/40/24/06/652402406.db2.gz AYYXFTWUXJXXSW-OAHLLOKOSA-N 1 2 383.480 2.472 20 0 GEADLO O=C(NCc1ccc(Br)c(F)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660509038 652404993 /nfs/dbraw/zinc/40/49/93/652404993.db2.gz UYHXMTDOGIUAQM-CYBMUJFWSA-N 1 2 386.265 2.204 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000581303212 652409884 /nfs/dbraw/zinc/40/98/84/652409884.db2.gz LDCGHVJINLYSMV-UHFFFAOYSA-N 1 2 375.841 2.452 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCN4C(=O)OCC[C@H]4C3)c[nH+]c12 ZINC000753548561 652410023 /nfs/dbraw/zinc/41/00/23/652410023.db2.gz MFVRBNYCSPGLHR-ZDUSSCGKSA-N 1 2 379.258 2.432 20 0 GEADLO Cc1cc(Br)cn2c(C[NH+]3CCC4(COC(=O)N4)CC3)cnc12 ZINC000753588035 652411397 /nfs/dbraw/zinc/41/13/97/652411397.db2.gz YIXRQHMQYJCEEA-UHFFFAOYSA-N 1 2 379.258 2.480 20 0 GEADLO O=S(=O)(CC[N@@H+]1CC[C@@H](Cn2ccnn2)C1)c1cc(Cl)ccc1Cl ZINC000661145457 652420488 /nfs/dbraw/zinc/42/04/88/652420488.db2.gz CCIMPBRIFBSEBN-GFCCVEGCSA-N 1 2 389.308 2.381 20 0 GEADLO O=S(=O)(CC[N@H+]1CC[C@@H](Cn2ccnn2)C1)c1cc(Cl)ccc1Cl ZINC000661145457 652420490 /nfs/dbraw/zinc/42/04/90/652420490.db2.gz CCIMPBRIFBSEBN-GFCCVEGCSA-N 1 2 389.308 2.381 20 0 GEADLO COc1ccc(OCCC[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cc1 ZINC000661186124 652422354 /nfs/dbraw/zinc/42/23/54/652422354.db2.gz OXDCQCYNBWHMPP-GJZGRUSLSA-N 1 2 381.416 2.371 20 0 GEADLO COc1ccc(OCCC[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cc1 ZINC000661186124 652422360 /nfs/dbraw/zinc/42/23/60/652422360.db2.gz OXDCQCYNBWHMPP-GJZGRUSLSA-N 1 2 381.416 2.371 20 0 GEADLO CS(=O)(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC000661188420 652423049 /nfs/dbraw/zinc/42/30/49/652423049.db2.gz LCEQTJUJQJIPLQ-CHWSQXEVSA-N 1 2 382.379 2.062 20 0 GEADLO CS(=O)(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC000661188420 652423052 /nfs/dbraw/zinc/42/30/52/652423052.db2.gz LCEQTJUJQJIPLQ-CHWSQXEVSA-N 1 2 382.379 2.062 20 0 GEADLO COc1cncc(/C=C/CC[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1 ZINC000661190894 652423554 /nfs/dbraw/zinc/42/35/54/652423554.db2.gz ZIRHREDAWBHAMU-ZTDBIZBLSA-N 1 2 378.416 2.401 20 0 GEADLO COc1cncc(/C=C/CC[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1 ZINC000661190894 652423558 /nfs/dbraw/zinc/42/35/58/652423558.db2.gz ZIRHREDAWBHAMU-ZTDBIZBLSA-N 1 2 378.416 2.401 20 0 GEADLO CO[C@]1(CO)CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000661393428 652430605 /nfs/dbraw/zinc/43/06/05/652430605.db2.gz LAXOPYKLYYSCMT-QGZVFWFLSA-N 1 2 396.285 2.396 20 0 GEADLO CO[C@]1(CO)CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000661393428 652430610 /nfs/dbraw/zinc/43/06/10/652430610.db2.gz LAXOPYKLYYSCMT-QGZVFWFLSA-N 1 2 396.285 2.396 20 0 GEADLO CO[C@]1(CO)CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000661396936 652430791 /nfs/dbraw/zinc/43/07/91/652430791.db2.gz ODCRWMVKPVPMBA-MRXNPFEDSA-N 1 2 378.803 2.353 20 0 GEADLO CO[C@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000661396936 652430793 /nfs/dbraw/zinc/43/07/93/652430793.db2.gz ODCRWMVKPVPMBA-MRXNPFEDSA-N 1 2 378.803 2.353 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662015328 652445070 /nfs/dbraw/zinc/44/50/70/652445070.db2.gz WSPUOISQDCQQLB-WFASDCNBSA-N 1 2 397.317 2.464 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662015328 652445072 /nfs/dbraw/zinc/44/50/72/652445072.db2.gz WSPUOISQDCQQLB-WFASDCNBSA-N 1 2 397.317 2.464 20 0 GEADLO O=C(c1cnc2ccc(Br)cc2c1O)N1CC[NH+](CCCF)CC1 ZINC000627959430 652445783 /nfs/dbraw/zinc/44/57/83/652445783.db2.gz LWDTZIGSDOHIGT-UHFFFAOYSA-N 1 2 396.260 2.408 20 0 GEADLO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCc2nccnc2C1 ZINC000662122236 652448627 /nfs/dbraw/zinc/44/86/27/652448627.db2.gz XWOUGELBTKYSGK-CYBMUJFWSA-N 1 2 382.233 2.176 20 0 GEADLO O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCc2nccnc2C1 ZINC000662122236 652448631 /nfs/dbraw/zinc/44/86/31/652448631.db2.gz XWOUGELBTKYSGK-CYBMUJFWSA-N 1 2 382.233 2.176 20 0 GEADLO C[C@H]1C[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@@]1(C)CO ZINC000662143112 652449091 /nfs/dbraw/zinc/44/90/91/652449091.db2.gz PIVZCSABDHPARQ-WFASDCNBSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@@]1(C)CO ZINC000662143112 652449092 /nfs/dbraw/zinc/44/90/92/652449092.db2.gz PIVZCSABDHPARQ-WFASDCNBSA-N 1 2 376.316 2.173 20 0 GEADLO CS(=O)(=O)NC1CC[NH+](Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000628126720 652452466 /nfs/dbraw/zinc/45/24/66/652452466.db2.gz DTOUCYQLFGJCFE-UHFFFAOYSA-N 1 2 384.395 2.280 20 0 GEADLO Cc1c(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)nnn1C ZINC000583160588 652474735 /nfs/dbraw/zinc/47/47/35/652474735.db2.gz IUEUTYFSAGTSMM-UHFFFAOYSA-N 1 2 393.245 2.018 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2nnn(C)n2)CC1 ZINC000583731777 652496080 /nfs/dbraw/zinc/49/60/80/652496080.db2.gz RCROUDAMPWVINN-OAHLLOKOSA-N 1 2 379.306 2.242 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H](O)c3cccnc3)[nH+]c12 ZINC000756330763 652496446 /nfs/dbraw/zinc/49/64/46/652496446.db2.gz PWLHUIOTRJYFFS-HNNXBMFYSA-N 1 2 389.253 2.193 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCc1ccc(Br)s1 ZINC000663543970 652503319 /nfs/dbraw/zinc/50/33/19/652503319.db2.gz AHOIATLEXLEEIW-NEPJUHHUSA-N 1 2 390.347 2.462 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCc1ccc(Br)s1 ZINC000663543970 652503322 /nfs/dbraw/zinc/50/33/22/652503322.db2.gz AHOIATLEXLEEIW-NEPJUHHUSA-N 1 2 390.347 2.462 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1)c1ccsc1 ZINC000663622232 652506938 /nfs/dbraw/zinc/50/69/38/652506938.db2.gz XSHYXIUFGXRNCB-NUEKZKHPSA-N 1 2 387.571 2.396 20 0 GEADLO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1ccncc1Br ZINC000631039639 652518586 /nfs/dbraw/zinc/51/85/86/652518586.db2.gz KUIDMFBXEMSZAQ-UHFFFAOYSA-N 1 2 384.299 2.384 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000584385980 652519313 /nfs/dbraw/zinc/51/93/13/652519313.db2.gz ZVHISPCJAKWPQU-OQMKEHIESA-N 1 2 377.312 2.087 20 0 GEADLO O=C(Cc1ccccc1I)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587036214 652544193 /nfs/dbraw/zinc/54/41/93/652544193.db2.gz PGZBZVDAHISYMY-GFCCVEGCSA-N 1 2 381.217 2.161 20 0 GEADLO COc1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1I ZINC000587066652 652544205 /nfs/dbraw/zinc/54/42/05/652544205.db2.gz XCCDZNMHPFJCDA-LLVKDONJSA-N 1 2 397.216 2.241 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000758580990 652547572 /nfs/dbraw/zinc/54/75/72/652547572.db2.gz XTRUQSIITZTUTA-BLLLJJGKSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000758580990 652547578 /nfs/dbraw/zinc/54/75/78/652547578.db2.gz XTRUQSIITZTUTA-BLLLJJGKSA-N 1 2 390.311 2.437 20 0 GEADLO COc1ccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)c(Br)c1 ZINC000589230348 652562351 /nfs/dbraw/zinc/56/23/51/652562351.db2.gz AGYKOTQZZBKMIK-UHFFFAOYSA-N 1 2 393.241 2.020 20 0 GEADLO COCc1cccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000589619412 652570046 /nfs/dbraw/zinc/57/00/46/652570046.db2.gz KPYSRYSMIRASLO-UHFFFAOYSA-N 1 2 380.535 2.444 20 0 GEADLO Cc1csc([C@@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C(F)(F)F)n1 ZINC000667159760 652594328 /nfs/dbraw/zinc/59/43/28/652594328.db2.gz IIVDGGRMQDAERM-NWDGAFQWSA-N 1 2 378.420 2.171 20 0 GEADLO C[C@@H](Cc1ccccc1Br)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000760167636 652597224 /nfs/dbraw/zinc/59/72/24/652597224.db2.gz WTBRVSBWLRYILN-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](Cc1ccccc1Br)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000760167636 652597231 /nfs/dbraw/zinc/59/72/31/652597231.db2.gz WTBRVSBWLRYILN-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N1CC(F)(F)C(F)(F)C1 ZINC000633487122 652600458 /nfs/dbraw/zinc/60/04/58/652600458.db2.gz RBHSHBZBZJEGOJ-UHFFFAOYSA-N 1 2 378.395 2.431 20 0 GEADLO O=C(CNC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)c(F)c1 ZINC000633709923 652608427 /nfs/dbraw/zinc/60/84/27/652608427.db2.gz SSCLATZSSBBHIF-NSHDSACASA-N 1 2 380.217 2.346 20 0 GEADLO O=C(CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Br)c(F)c1 ZINC000633710396 652608480 /nfs/dbraw/zinc/60/84/80/652608480.db2.gz BFRSJAKRQSUTAF-LLVKDONJSA-N 1 2 380.217 2.346 20 0 GEADLO CC(C)S(=O)(=O)CC(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633776809 652613461 /nfs/dbraw/zinc/61/34/61/652613461.db2.gz XDVOQSSUNQJBDD-AWEZNQCLSA-N 1 2 380.432 2.248 20 0 GEADLO O=C(c1cc[nH]c(=O)c1Br)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633897424 652619253 /nfs/dbraw/zinc/61/92/53/652619253.db2.gz CGIBMLNRESCJNS-UHFFFAOYSA-N 1 2 392.253 2.213 20 0 GEADLO CO[C@@](C)(CO)C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000668293835 652636788 /nfs/dbraw/zinc/63/67/88/652636788.db2.gz KJGVPVAVNQRBCT-GFCCVEGCSA-N 1 2 383.080 2.404 20 0 GEADLO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3csc(S(C)(=O)=O)c3)C2)cc1 ZINC000634456811 652640050 /nfs/dbraw/zinc/64/00/50/652640050.db2.gz LGVPMHXUUIPJHU-MRXNPFEDSA-N 1 2 378.519 2.464 20 0 GEADLO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3csc(S(C)(=O)=O)c3)C2)cc1 ZINC000634456811 652640052 /nfs/dbraw/zinc/64/00/52/652640052.db2.gz LGVPMHXUUIPJHU-MRXNPFEDSA-N 1 2 378.519 2.464 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000668529119 652646436 /nfs/dbraw/zinc/64/64/36/652646436.db2.gz ZKAODGYYQJBMIE-ZIAGYGMSSA-N 1 2 378.274 2.346 20 0 GEADLO NC(=O)c1csc(C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)n1 ZINC000634649974 652647131 /nfs/dbraw/zinc/64/71/31/652647131.db2.gz YRKOIDKJCNGBLW-SNVBAGLBSA-N 1 2 376.265 2.078 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000668569696 652648440 /nfs/dbraw/zinc/64/84/40/652648440.db2.gz FXDUHYVTTULFBK-IUODEOHRSA-N 1 2 391.269 2.124 20 0 GEADLO Cc1sc(Br)cc1S(=O)(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000634660867 652651733 /nfs/dbraw/zinc/65/17/33/652651733.db2.gz DOKMZYBDXMQICV-VIFPVBQESA-N 1 2 376.301 2.309 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000668687942 652660013 /nfs/dbraw/zinc/66/00/13/652660013.db2.gz IHGHWQAZOCXSCA-UHFFFAOYSA-N 1 2 378.230 2.438 20 0 GEADLO CC(C)Oc1cc(NC(=O)C(=O)NCCn2cc[nH+]c2)ccc1Br ZINC000635026798 652683881 /nfs/dbraw/zinc/68/38/81/652683881.db2.gz ZDOLIAXGEAHRHG-UHFFFAOYSA-N 1 2 395.257 2.188 20 0 GEADLO CS(=O)(=O)Nc1cccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000635216692 652700631 /nfs/dbraw/zinc/70/06/31/652700631.db2.gz KSJSDHLAHAAOIQ-GFCCVEGCSA-N 1 2 376.360 2.387 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCc3sc(Br)cc3C2)C1 ZINC000669932051 652728425 /nfs/dbraw/zinc/72/84/25/652728425.db2.gz JJYRDKXEXDIZLF-SNVBAGLBSA-N 1 2 379.345 2.150 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCc3sc(Br)cc3C2)C1 ZINC000669932051 652728433 /nfs/dbraw/zinc/72/84/33/652728433.db2.gz JJYRDKXEXDIZLF-SNVBAGLBSA-N 1 2 379.345 2.150 20 0 GEADLO CCCN(C)C(=O)[C@H]1CSCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635462898 652731930 /nfs/dbraw/zinc/73/19/30/652731930.db2.gz YODVVQRIPFVQNP-NEPJUHHUSA-N 1 2 378.420 2.147 20 0 GEADLO O=C(C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl)NC(=O)NCC(F)(F)F ZINC000595828468 652737219 /nfs/dbraw/zinc/73/72/19/652737219.db2.gz KLVAIEJHBKSOLZ-VIFPVBQESA-N 1 2 388.173 2.005 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)NCCc1ccc(I)cc1 ZINC000596017157 652746649 /nfs/dbraw/zinc/74/66/49/652746649.db2.gz OIYOCDKJSILJKN-UHFFFAOYSA-N 1 2 398.248 2.420 20 0 GEADLO COc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc(Br)c1OC ZINC000670804435 652763654 /nfs/dbraw/zinc/76/36/54/652763654.db2.gz WPAYAVSGGBJURI-ZDUSSCGKSA-N 1 2 399.285 2.013 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)NCCCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000636777304 652822384 /nfs/dbraw/zinc/82/23/84/652822384.db2.gz NWLQUWYLVGTJAK-AWEZNQCLSA-N 1 2 396.340 2.330 20 0 GEADLO COc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc(Br)c1OC ZINC000672146732 652827815 /nfs/dbraw/zinc/82/78/15/652827815.db2.gz SYCXKUUGUSKIKB-LLVKDONJSA-N 1 2 380.242 2.408 20 0 GEADLO COc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1I ZINC000598945772 652841692 /nfs/dbraw/zinc/84/16/92/652841692.db2.gz CARZWXYETBYETJ-NSHDSACASA-N 1 2 397.216 2.241 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc(I)ccc1F ZINC000598948011 652842314 /nfs/dbraw/zinc/84/23/14/652842314.db2.gz OCFXQANGPXTULX-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO COC(=O)c1cnc(C[NH2+][C@@H](CCO)c2ccccc2Br)cn1 ZINC000599357850 652864123 /nfs/dbraw/zinc/86/41/23/652864123.db2.gz XHPQTPIMMJBLBU-AWEZNQCLSA-N 1 2 380.242 2.239 20 0 GEADLO CN(CCn1cc(Br)cn1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000673539120 652867718 /nfs/dbraw/zinc/86/77/18/652867718.db2.gz FAVWOSLPHGERAF-UHFFFAOYSA-N 1 2 392.301 2.303 20 0 GEADLO CCCc1nnc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000637682429 652870745 /nfs/dbraw/zinc/87/07/45/652870745.db2.gz NZJBMWJABLENFA-UHFFFAOYSA-N 1 2 378.527 2.761 20 0 GEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000766324222 652875960 /nfs/dbraw/zinc/87/59/60/652875960.db2.gz BDAQRYYFWVROER-GFCCVEGCSA-N 1 2 394.273 2.210 20 0 GEADLO CCN1C[C@@H](C[N@H+](C)Cc2ccc(S(N)(=O)=O)s2)Oc2ccccc21 ZINC000637874297 652876232 /nfs/dbraw/zinc/87/62/32/652876232.db2.gz ABAXXLHHJQYAJN-CYBMUJFWSA-N 1 2 381.523 2.115 20 0 GEADLO CCN1C[C@@H](C[N@@H+](C)Cc2ccc(S(N)(=O)=O)s2)Oc2ccccc21 ZINC000637874297 652876235 /nfs/dbraw/zinc/87/62/35/652876235.db2.gz ABAXXLHHJQYAJN-CYBMUJFWSA-N 1 2 381.523 2.115 20 0 GEADLO C[C@H](C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)N1CC[NH2+]CC1=O ZINC000637903483 652877028 /nfs/dbraw/zinc/87/70/28/652877028.db2.gz PNZJVTLKRBVLPT-SECBINFHSA-N 1 2 379.766 2.040 20 0 GEADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)N1CC[NH2+]CC1=O ZINC000637903485 652877194 /nfs/dbraw/zinc/87/71/94/652877194.db2.gz PNZJVTLKRBVLPT-VIFPVBQESA-N 1 2 379.766 2.040 20 0 GEADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000637907016 652877838 /nfs/dbraw/zinc/87/78/38/652877838.db2.gz FQPWGLSKBHXTAO-CYBMUJFWSA-N 1 2 383.901 2.459 20 0 GEADLO Cc1ncc(C[N@@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)s1 ZINC000637953627 652878746 /nfs/dbraw/zinc/87/87/46/652878746.db2.gz WAGAJWVNXGHGCK-UHFFFAOYSA-N 1 2 390.328 2.493 20 0 GEADLO Cc1ncc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)s1 ZINC000637953627 652878751 /nfs/dbraw/zinc/87/87/51/652878751.db2.gz WAGAJWVNXGHGCK-UHFFFAOYSA-N 1 2 390.328 2.493 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)N1CC[NH2+]CC1=O ZINC000637995887 652880680 /nfs/dbraw/zinc/88/06/80/652880680.db2.gz JWLOTHZOAAVUGO-VIFPVBQESA-N 1 2 379.766 2.040 20 0 GEADLO CCNC(=O)N1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000674276857 652892330 /nfs/dbraw/zinc/89/23/30/652892330.db2.gz KIYQEJZSLBJGLA-LBPRGKRZSA-N 1 2 376.284 2.080 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000674367964 652896474 /nfs/dbraw/zinc/89/64/74/652896474.db2.gz DZWMASARIRRHOW-BBWFWOEESA-N 1 2 387.307 2.248 20 0 GEADLO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1c(Cl)cccc1Cl ZINC000674369098 652896843 /nfs/dbraw/zinc/89/68/43/652896843.db2.gz XYZYPFBVNXXXTN-CHWSQXEVSA-N 1 2 375.296 2.248 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000766851446 652901011 /nfs/dbraw/zinc/90/10/11/652901011.db2.gz ROWCSRZSMUZRGM-ZIAGYGMSSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000766851446 652901017 /nfs/dbraw/zinc/90/10/17/652901017.db2.gz ROWCSRZSMUZRGM-ZIAGYGMSSA-N 1 2 382.917 2.357 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(C)c(Br)cn3)C2)nn1 ZINC000600152597 652905815 /nfs/dbraw/zinc/90/58/15/652905815.db2.gz TZFIKRYZDAOBMU-CYBMUJFWSA-N 1 2 394.273 2.368 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cc(C)c(Br)cn3)C2)nn1 ZINC000600152597 652905821 /nfs/dbraw/zinc/90/58/21/652905821.db2.gz TZFIKRYZDAOBMU-CYBMUJFWSA-N 1 2 394.273 2.368 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2c(Br)cc(OC)cc2OC)C1 ZINC000600192535 652907376 /nfs/dbraw/zinc/90/73/76/652907376.db2.gz QKZKXLQMRUPUEE-INIZCTEOSA-N 1 2 388.258 2.230 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2c(Br)cc(OC)cc2OC)C1 ZINC000600192535 652907381 /nfs/dbraw/zinc/90/73/81/652907381.db2.gz QKZKXLQMRUPUEE-INIZCTEOSA-N 1 2 388.258 2.230 20 0 GEADLO O=C(CCn1cc(Br)cn1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000674756437 652911123 /nfs/dbraw/zinc/91/11/23/652911123.db2.gz CEZQMEJRFSWQRF-UHFFFAOYSA-N 1 2 393.285 2.086 20 0 GEADLO COCCc1ncc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)s1 ZINC000638972111 652915199 /nfs/dbraw/zinc/91/51/99/652915199.db2.gz SWEFCPAVTNQZKV-MRXNPFEDSA-N 1 2 387.571 2.158 20 0 GEADLO COCCc1ncc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)s1 ZINC000638972111 652915201 /nfs/dbraw/zinc/91/52/01/652915201.db2.gz SWEFCPAVTNQZKV-MRXNPFEDSA-N 1 2 387.571 2.158 20 0 GEADLO O=C(NCCCn1cncn1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000675133710 652917857 /nfs/dbraw/zinc/91/78/57/652917857.db2.gz WFFJLYLYGQIMPF-MRXNPFEDSA-N 1 2 392.301 2.384 20 0 GEADLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639165764 652924895 /nfs/dbraw/zinc/92/48/95/652924895.db2.gz RZCNQJZOGFHWFZ-UHFFFAOYSA-N 1 2 387.933 2.212 20 0 GEADLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639165764 652924897 /nfs/dbraw/zinc/92/48/97/652924897.db2.gz RZCNQJZOGFHWFZ-UHFFFAOYSA-N 1 2 387.933 2.212 20 0 GEADLO Cc1cnc(C[NH2+]CCNS(=O)(=O)c2cc(C)ccc2Br)o1 ZINC000639166419 652925087 /nfs/dbraw/zinc/92/50/87/652925087.db2.gz KDGKJSIQAUPJCH-UHFFFAOYSA-N 1 2 388.287 2.122 20 0 GEADLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c2nccn21 ZINC000639251557 652928644 /nfs/dbraw/zinc/92/86/44/652928644.db2.gz ZIKHTQALOOZFRN-SKDRFNHKSA-N 1 2 385.287 2.089 20 0 GEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)c2c(c1)OCCO2 ZINC000767522051 652931700 /nfs/dbraw/zinc/93/17/00/652931700.db2.gz ITKGDDTYKNQTEP-BETUJISGSA-N 1 2 398.253 2.240 20 0 GEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)c2c(c1)OCCO2 ZINC000767522051 652931704 /nfs/dbraw/zinc/93/17/04/652931704.db2.gz ITKGDDTYKNQTEP-BETUJISGSA-N 1 2 398.253 2.240 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1Br ZINC000639312729 652931776 /nfs/dbraw/zinc/93/17/76/652931776.db2.gz IRBMKGVHRWZFHG-LBPRGKRZSA-N 1 2 381.242 2.328 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1Br ZINC000639312729 652931779 /nfs/dbraw/zinc/93/17/79/652931779.db2.gz IRBMKGVHRWZFHG-LBPRGKRZSA-N 1 2 381.242 2.328 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639586526 652942541 /nfs/dbraw/zinc/94/25/41/652942541.db2.gz NEXOEHUWNXVIJP-ZFWWWQNUSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639586526 652942549 /nfs/dbraw/zinc/94/25/49/652942549.db2.gz NEXOEHUWNXVIJP-ZFWWWQNUSA-N 1 2 382.309 2.242 20 0 GEADLO OCC(F)(F)CN1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000639738936 652951270 /nfs/dbraw/zinc/95/12/70/652951270.db2.gz ONRCCZNVCLTRFC-UHFFFAOYSA-N 1 2 379.245 2.073 20 0 GEADLO O=C(C[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1)NCc1ccco1 ZINC000639773510 652953869 /nfs/dbraw/zinc/95/38/69/652953869.db2.gz POPFIJOLDZSPQO-AWEZNQCLSA-N 1 2 380.242 2.207 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1)NCc1ccco1 ZINC000639773510 652953873 /nfs/dbraw/zinc/95/38/73/652953873.db2.gz POPFIJOLDZSPQO-AWEZNQCLSA-N 1 2 380.242 2.207 20 0 GEADLO O=C(C[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1)Nc1ccccn1 ZINC000639776064 652954738 /nfs/dbraw/zinc/95/47/38/652954738.db2.gz JUJJJMPXLHLQBS-ZDUSSCGKSA-N 1 2 377.242 2.331 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1)Nc1ccccn1 ZINC000639776064 652954739 /nfs/dbraw/zinc/95/47/39/652954739.db2.gz JUJJJMPXLHLQBS-ZDUSSCGKSA-N 1 2 377.242 2.331 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc(N)o3)C2)ccc1Br ZINC000639821768 652957803 /nfs/dbraw/zinc/95/78/03/652957803.db2.gz OCJOHVUMCFGOET-LLVKDONJSA-N 1 2 394.273 2.541 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3nnc(N)o3)C2)ccc1Br ZINC000639821768 652957805 /nfs/dbraw/zinc/95/78/05/652957805.db2.gz OCJOHVUMCFGOET-LLVKDONJSA-N 1 2 394.273 2.541 20 0 GEADLO CCN(C(=O)[C@H](C)[NH+]1CCC2(CCSCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000639978532 653092189 /nfs/dbraw/zinc/09/21/89/653092189.db2.gz HNEBLQJZDUZZCX-JKSUJKDBSA-N 1 2 388.599 2.020 20 0 GEADLO CC[C@]1(O)CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000640029551 653093866 /nfs/dbraw/zinc/09/38/66/653093866.db2.gz IZKFCJPDCUUZDA-HNNXBMFYSA-N 1 2 376.316 2.460 20 0 GEADLO CC[C@]1(O)CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000640029551 653093873 /nfs/dbraw/zinc/09/38/73/653093873.db2.gz IZKFCJPDCUUZDA-HNNXBMFYSA-N 1 2 376.316 2.460 20 0 GEADLO Brc1ccc(OCCN2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000640098568 653095707 /nfs/dbraw/zinc/09/57/07/653095707.db2.gz KQDMQZNRJHQQIN-UHFFFAOYSA-N 1 2 391.313 2.478 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000676702896 653104343 /nfs/dbraw/zinc/10/43/43/653104343.db2.gz ZWTOPLAQYDRJMP-STQMWFEESA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000676702896 653104347 /nfs/dbraw/zinc/10/43/47/653104347.db2.gz ZWTOPLAQYDRJMP-STQMWFEESA-N 1 2 394.320 2.385 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)C1)C1CC1 ZINC000676783277 653106365 /nfs/dbraw/zinc/10/63/65/653106365.db2.gz MULWLUMLDMFFMS-GFCCVEGCSA-N 1 2 377.432 2.394 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1)C1CC1 ZINC000676783277 653106374 /nfs/dbraw/zinc/10/63/74/653106374.db2.gz MULWLUMLDMFFMS-GFCCVEGCSA-N 1 2 377.432 2.394 20 0 GEADLO Cn1cc(Br)c(NC(=O)N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000640307642 653112917 /nfs/dbraw/zinc/11/29/17/653112917.db2.gz GJWJQDFOJTXUCE-UHFFFAOYSA-N 1 2 384.303 2.594 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)C1 ZINC000805476787 653119025 /nfs/dbraw/zinc/11/90/25/653119025.db2.gz ZQDVQNQAUNAGKC-UONOGXRCSA-N 1 2 376.236 2.471 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)C1 ZINC000805476787 653119031 /nfs/dbraw/zinc/11/90/31/653119031.db2.gz ZQDVQNQAUNAGKC-UONOGXRCSA-N 1 2 376.236 2.471 20 0 GEADLO CCOCC[N@H+](C)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000771634713 653122314 /nfs/dbraw/zinc/12/23/14/653122314.db2.gz BCLPUMPLISQTSA-INIZCTEOSA-N 1 2 384.274 2.142 20 0 GEADLO CCOCC[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000771634713 653122317 /nfs/dbraw/zinc/12/23/17/653122317.db2.gz BCLPUMPLISQTSA-INIZCTEOSA-N 1 2 384.274 2.142 20 0 GEADLO CCOCC[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000771636977 653122363 /nfs/dbraw/zinc/12/23/63/653122363.db2.gz ROOPUNGGSHUDJL-MRXNPFEDSA-N 1 2 384.274 2.142 20 0 GEADLO CCOCC[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000771636977 653122367 /nfs/dbraw/zinc/12/23/67/653122367.db2.gz ROOPUNGGSHUDJL-MRXNPFEDSA-N 1 2 384.274 2.142 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000678095933 653126731 /nfs/dbraw/zinc/12/67/31/653126731.db2.gz FJPROIBLJLKZBG-MRXNPFEDSA-N 1 2 391.269 2.126 20 0 GEADLO CS(=O)(=O)N1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000678131554 653128429 /nfs/dbraw/zinc/12/84/29/653128429.db2.gz DZPNQZVSCROLPO-UHFFFAOYSA-N 1 2 382.917 2.052 20 0 GEADLO CS(=O)(=O)N1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000678131554 653128432 /nfs/dbraw/zinc/12/84/32/653128432.db2.gz DZPNQZVSCROLPO-UHFFFAOYSA-N 1 2 382.917 2.052 20 0 GEADLO CN(C)S(=O)(=O)N1CC[NH+](Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000678133397 653128514 /nfs/dbraw/zinc/12/85/14/653128514.db2.gz IMDANUCZBVZEEF-UHFFFAOYSA-N 1 2 383.514 2.478 20 0 GEADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000771937106 653133080 /nfs/dbraw/zinc/13/30/80/653133080.db2.gz LRXAMDWQMIRKID-HNNXBMFYSA-N 1 2 392.253 2.494 20 0 GEADLO CC[NH+](CC)CCOC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000772183615 653141725 /nfs/dbraw/zinc/14/17/25/653141725.db2.gz PBCRVBYGSPRQFQ-UHFFFAOYSA-N 1 2 383.495 2.443 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn(Cc3sc4ccccc4c3Cl)nn2)C1 ZINC000640896066 653144627 /nfs/dbraw/zinc/14/46/27/653144627.db2.gz YQDLAFBYYWCTBN-LLVKDONJSA-N 1 2 396.925 2.471 20 0 GEADLO C[N@H+](CCO)Cc1cn(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)nn1 ZINC000640994157 653149435 /nfs/dbraw/zinc/14/94/35/653149435.db2.gz PYCYTSZJDWCJRH-UHFFFAOYSA-N 1 2 383.239 2.107 20 0 GEADLO C[N@@H+](CCO)Cc1cn(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)nn1 ZINC000640994157 653149438 /nfs/dbraw/zinc/14/94/38/653149438.db2.gz PYCYTSZJDWCJRH-UHFFFAOYSA-N 1 2 383.239 2.107 20 0 GEADLO COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602149083 653151140 /nfs/dbraw/zinc/15/11/40/653151140.db2.gz QZDLSWLRINHIJH-ZIAGYGMSSA-N 1 2 392.253 2.478 20 0 GEADLO COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602149083 653151143 /nfs/dbraw/zinc/15/11/43/653151143.db2.gz QZDLSWLRINHIJH-ZIAGYGMSSA-N 1 2 392.253 2.478 20 0 GEADLO Cn1ncc(C[NH2+][C@H]2CCCOc3ccc(I)cc32)n1 ZINC000806168502 653154658 /nfs/dbraw/zinc/15/46/58/653154658.db2.gz OWUFAOZCZWLGPD-ZDUSSCGKSA-N 1 2 384.221 2.423 20 0 GEADLO Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)nc1Br ZINC000806533353 653167637 /nfs/dbraw/zinc/16/76/37/653167637.db2.gz ROILXXSBCXONOM-STQMWFEESA-N 1 2 383.290 2.479 20 0 GEADLO Cc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)nc1Br ZINC000806533350 653167690 /nfs/dbraw/zinc/16/76/90/653167690.db2.gz ROILXXSBCXONOM-CHWSQXEVSA-N 1 2 383.290 2.479 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn(Cc3c(Cl)oc4ccccc43)nn2)C1 ZINC000641207151 653169951 /nfs/dbraw/zinc/16/99/51/653169951.db2.gz PCCRSAAWBGMCDK-NSHDSACASA-N 1 2 380.857 2.003 20 0 GEADLO CCC1N=NC(=S)N1CCNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000806932928 653178826 /nfs/dbraw/zinc/17/88/26/653178826.db2.gz QFHFTCQCQHZVEM-UHFFFAOYSA-N 1 2 381.933 2.421 20 0 GEADLO CCC1N=NC(=S)N1CCNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000806932928 653178839 /nfs/dbraw/zinc/17/88/39/653178839.db2.gz QFHFTCQCQHZVEM-UHFFFAOYSA-N 1 2 381.933 2.421 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@H]2C(C)(C)C2(F)F)C[C@H](C)O1 ZINC000641294148 653180574 /nfs/dbraw/zinc/18/05/74/653180574.db2.gz GURUBDNNCVINST-XGUBFFRZSA-N 1 2 380.501 2.181 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@H]2C(C)(C)C2(F)F)C[C@H](C)O1 ZINC000641294148 653180578 /nfs/dbraw/zinc/18/05/78/653180578.db2.gz GURUBDNNCVINST-XGUBFFRZSA-N 1 2 380.501 2.181 20 0 GEADLO COCC(=O)NC1CC[NH+](Cc2ccc(I)s2)CC1 ZINC000602446446 653181635 /nfs/dbraw/zinc/18/16/35/653181635.db2.gz DDPQJMPPJVOSIQ-UHFFFAOYSA-N 1 2 394.278 2.080 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H](CO)c2ccc(Cl)cc2)C1 ZINC000641408967 653200950 /nfs/dbraw/zinc/20/09/50/653200950.db2.gz KPSWMBFWIDVDIU-KRWDZBQOSA-N 1 2 380.897 2.340 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H](CO)c2ccc(Cl)cc2)C1 ZINC000641408967 653200958 /nfs/dbraw/zinc/20/09/58/653200958.db2.gz KPSWMBFWIDVDIU-KRWDZBQOSA-N 1 2 380.897 2.340 20 0 GEADLO C[C@@H](NC(=O)c1cnc2ncc(Br)cc2c1)[C@H](C)[NH+]1CCOCC1 ZINC000681986801 653201099 /nfs/dbraw/zinc/20/10/99/653201099.db2.gz YPSNOJAPTQWBJH-NEPJUHHUSA-N 1 2 393.285 2.231 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCc1c[nH+]cn1C ZINC000682487493 653213497 /nfs/dbraw/zinc/21/34/97/653213497.db2.gz CYRSYUJENXDRGG-GFCCVEGCSA-N 1 2 387.889 2.008 20 0 GEADLO O=C(c1cccnc1I)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000770484149 653214452 /nfs/dbraw/zinc/21/44/52/653214452.db2.gz PTNREPOKMPUYRB-UHFFFAOYSA-N 1 2 382.205 2.429 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000641521553 653217460 /nfs/dbraw/zinc/21/74/60/653217460.db2.gz JFGJKFCOYFVHDV-CQSZACIVSA-N 1 2 384.299 2.465 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000641530882 653218643 /nfs/dbraw/zinc/21/86/43/653218643.db2.gz UGHHFYUTINRYET-AWEZNQCLSA-N 1 2 385.287 2.208 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCc1cccc(Br)c1Cl ZINC000641534366 653219072 /nfs/dbraw/zinc/21/90/72/653219072.db2.gz QLNVCAUKKCQVJA-UHFFFAOYSA-N 1 2 378.679 2.419 20 0 GEADLO CN1CC[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1=O ZINC000682691750 653221724 /nfs/dbraw/zinc/22/17/24/653221724.db2.gz OCRYXUOTWWOVAS-DOTOQJQBSA-N 1 2 394.313 2.323 20 0 GEADLO CC(=O)NCC[C@H]1CCC[N@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000808216826 653223004 /nfs/dbraw/zinc/22/30/04/653223004.db2.gz KSRQOYWLHSPKIB-CQSZACIVSA-N 1 2 379.555 2.415 20 0 GEADLO CC(=O)NCC[C@H]1CCC[N@@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000808216826 653223008 /nfs/dbraw/zinc/22/30/08/653223008.db2.gz KSRQOYWLHSPKIB-CQSZACIVSA-N 1 2 379.555 2.415 20 0 GEADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(Cc3nnsc3Cl)CC2)C1 ZINC000808772650 653234880 /nfs/dbraw/zinc/23/48/80/653234880.db2.gz IKCKRZILGPOLSF-LBPRGKRZSA-N 1 2 387.937 2.319 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000683659233 653236925 /nfs/dbraw/zinc/23/69/25/653236925.db2.gz NQQYZLPKLATRLK-SMDDNHRTSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000683659233 653236931 /nfs/dbraw/zinc/23/69/31/653236931.db2.gz NQQYZLPKLATRLK-SMDDNHRTSA-N 1 2 376.266 2.359 20 0 GEADLO C[C@H]1C[N@H+](CCNc2ncc(Cn3cc(Br)cn3)s2)CCO1 ZINC000683748211 653239396 /nfs/dbraw/zinc/23/93/96/653239396.db2.gz AVBWMEYASYWJIC-NSHDSACASA-N 1 2 386.319 2.283 20 0 GEADLO C[C@H]1C[N@@H+](CCNc2ncc(Cn3cc(Br)cn3)s2)CCO1 ZINC000683748211 653239401 /nfs/dbraw/zinc/23/94/01/653239401.db2.gz AVBWMEYASYWJIC-NSHDSACASA-N 1 2 386.319 2.283 20 0 GEADLO COc1cc(Br)c(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)cc1OC ZINC000874049225 653254250 /nfs/dbraw/zinc/25/42/50/653254250.db2.gz ZZJRHSVWZPVTBT-UHFFFAOYSA-N 1 2 387.274 2.105 20 0 GEADLO C[C@H](N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684554752 653276206 /nfs/dbraw/zinc/27/62/06/653276206.db2.gz PFUSDJZTCAOLBZ-BHDSKKPTSA-N 1 2 396.340 2.011 20 0 GEADLO C[C@H](N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684554752 653276216 /nfs/dbraw/zinc/27/62/16/653276216.db2.gz PFUSDJZTCAOLBZ-BHDSKKPTSA-N 1 2 396.340 2.011 20 0 GEADLO COC(=O)C[C@@]1([NH2+]Cc2nc3ccccn3c2Br)CCCOC1 ZINC000809644738 653287888 /nfs/dbraw/zinc/28/78/88/653287888.db2.gz VPFAKNNTBOVYSJ-INIZCTEOSA-N 1 2 382.258 2.299 20 0 GEADLO CC(C)(C(=O)N1CCC(O)(c2scnc2Br)CC1)c1c[nH+]c[nH]1 ZINC000857199817 653297922 /nfs/dbraw/zinc/29/79/22/653297922.db2.gz CUCAIDJTPHCGOH-UHFFFAOYSA-N 1 2 399.314 2.417 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)ccc1Br ZINC000775690499 653321955 /nfs/dbraw/zinc/32/19/55/653321955.db2.gz HHKUPAUPZBJJBL-SNVBAGLBSA-N 1 2 386.271 2.215 20 0 GEADLO CC[NH+](CC)CCN(C(=O)c1cccc(Cl)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000775786851 653329260 /nfs/dbraw/zinc/32/92/60/653329260.db2.gz XXNHGTGDQARBBK-CYBMUJFWSA-N 1 2 388.917 2.017 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1I ZINC000874698320 653333128 /nfs/dbraw/zinc/33/31/28/653333128.db2.gz AWWWBDDEAYPUSS-LBPRGKRZSA-N 1 2 388.249 2.132 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccccc1I ZINC000874698320 653333136 /nfs/dbraw/zinc/33/31/36/653333136.db2.gz AWWWBDDEAYPUSS-LBPRGKRZSA-N 1 2 388.249 2.132 20 0 GEADLO CSc1ccc(C)c(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000776027590 653335127 /nfs/dbraw/zinc/33/51/27/653335127.db2.gz FUAPEMWPIDDAIN-UHFFFAOYSA-N 1 2 385.555 2.347 20 0 GEADLO C[C@]1(CCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1(Cl)Cl ZINC000836249300 653340982 /nfs/dbraw/zinc/34/09/82/653340982.db2.gz IROMKEUKBWLIIX-LSDHHAIUSA-N 1 2 396.384 2.468 20 0 GEADLO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000857890110 653342303 /nfs/dbraw/zinc/34/23/03/653342303.db2.gz PXERDBMKMJEWPN-SWLSCSKDSA-N 1 2 388.269 2.220 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2c3cc[nH+]cc3C[C@@H]2C)cc1 ZINC000857899563 653342737 /nfs/dbraw/zinc/34/27/37/653342737.db2.gz JFFZAOFIPOXSCZ-ZDUSSCGKSA-N 1 2 380.491 2.405 20 0 GEADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)C2)nc1 ZINC000858039765 653347208 /nfs/dbraw/zinc/34/72/08/653347208.db2.gz JEFSNWPJSMJTLX-HNNXBMFYSA-N 1 2 381.885 2.344 20 0 GEADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)C2)nc1 ZINC000858039765 653347217 /nfs/dbraw/zinc/34/72/17/653347217.db2.gz JEFSNWPJSMJTLX-HNNXBMFYSA-N 1 2 381.885 2.344 20 0 GEADLO C[C@]1(CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1(Cl)Cl ZINC000836414923 653350820 /nfs/dbraw/zinc/35/08/20/653350820.db2.gz CMWOVEUZRFSSGL-HNNXBMFYSA-N 1 2 390.315 2.311 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)/C=C\c2csc(C(F)(F)F)c2)CC1 ZINC000858484627 653365591 /nfs/dbraw/zinc/36/55/91/653365591.db2.gz WPWHLBOMFHGEDL-IHWYPQMZSA-N 1 2 375.416 2.060 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)/C=C/c2csc(C(F)(F)F)c2)CC1 ZINC000858484628 653365826 /nfs/dbraw/zinc/36/58/26/653365826.db2.gz WPWHLBOMFHGEDL-NSCUHMNNSA-N 1 2 375.416 2.060 20 0 GEADLO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000858577289 653368098 /nfs/dbraw/zinc/36/80/98/653368098.db2.gz BEJDVDQZCJEYQI-MNOVXSKESA-N 1 2 396.289 2.397 20 0 GEADLO O=C1NC2(CO1)CC[NH+](Cc1cn(-c3ccccc3Br)nn1)CC2 ZINC000811489521 653394726 /nfs/dbraw/zinc/39/47/26/653394726.db2.gz FDLYVAXMSHJFAO-UHFFFAOYSA-N 1 2 392.257 2.104 20 0 GEADLO CC1=NO[C@H](CNC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000875964150 653398232 /nfs/dbraw/zinc/39/82/32/653398232.db2.gz CJEZFGKZFJNFAT-AWEZNQCLSA-N 1 2 394.273 2.412 20 0 GEADLO CN(C)C(=O)C[NH+]1CCN(c2ccc3ccc(Br)cc3n2)CC1 ZINC000811710918 653402718 /nfs/dbraw/zinc/40/27/18/653402718.db2.gz PJXJNPAUYVZXCS-UHFFFAOYSA-N 1 2 377.286 2.208 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000837153954 653404862 /nfs/dbraw/zinc/40/48/62/653404862.db2.gz IGCVRGIRQHOAEM-LRDDRELGSA-N 1 2 378.270 2.400 20 0 GEADLO Cc1nc(N2CCN(C(=O)NCCSCCC(F)(F)F)CC2)cc[nH+]1 ZINC000876177179 653406187 /nfs/dbraw/zinc/40/61/87/653406187.db2.gz HMMKKAQYWOMDOG-UHFFFAOYSA-N 1 2 377.436 2.302 20 0 GEADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)C(F)(F)c1ccccc1Br ZINC000837185947 653408566 /nfs/dbraw/zinc/40/85/66/653408566.db2.gz IQAKBWUALVCDMG-NSHDSACASA-N 1 2 377.229 2.066 20 0 GEADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)C(F)(F)c1ccccc1Br ZINC000837185947 653408572 /nfs/dbraw/zinc/40/85/72/653408572.db2.gz IQAKBWUALVCDMG-NSHDSACASA-N 1 2 377.229 2.066 20 0 GEADLO CC[C@@H](C(=O)NC[C@@H](O)c1ccccc1Br)[N@@H+]1CCO[C@H](CC)C1 ZINC000837197166 653410368 /nfs/dbraw/zinc/41/03/68/653410368.db2.gz BUGJBSHKRVZHCK-XOKHGSTOSA-N 1 2 399.329 2.488 20 0 GEADLO CC[C@@H](C(=O)NC[C@@H](O)c1ccccc1Br)[N@H+]1CCO[C@H](CC)C1 ZINC000837197166 653410373 /nfs/dbraw/zinc/41/03/73/653410373.db2.gz BUGJBSHKRVZHCK-XOKHGSTOSA-N 1 2 399.329 2.488 20 0 GEADLO C[C@H]1CCOCC[N@@H+]1Cn1c(=O)oc2cc(I)ccc21 ZINC000777957715 653414060 /nfs/dbraw/zinc/41/40/60/653414060.db2.gz JVUSQZQRUYJDIO-JTQLQIEISA-N 1 2 388.205 2.267 20 0 GEADLO C[C@H]1CCOCC[N@H+]1Cn1c(=O)oc2cc(I)ccc21 ZINC000777957715 653414068 /nfs/dbraw/zinc/41/40/68/653414068.db2.gz JVUSQZQRUYJDIO-JTQLQIEISA-N 1 2 388.205 2.267 20 0 GEADLO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(Br)nc1F ZINC000859216098 653424252 /nfs/dbraw/zinc/42/42/52/653424252.db2.gz FFWXNGHPOBGKMO-SECBINFHSA-N 1 2 380.283 2.134 20 0 GEADLO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(Br)nc1F ZINC000859216098 653424259 /nfs/dbraw/zinc/42/42/59/653424259.db2.gz FFWXNGHPOBGKMO-SECBINFHSA-N 1 2 380.283 2.134 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000812552490 653435338 /nfs/dbraw/zinc/43/53/38/653435338.db2.gz RBIWKFJGUXDAJC-FZMZJTMJSA-N 1 2 380.242 2.107 20 0 GEADLO Brc1cnn(C2CC[NH+](Cc3cn(C[C@@H]4CCCO4)nn3)CC2)c1 ZINC000876727450 653444746 /nfs/dbraw/zinc/44/47/46/653444746.db2.gz KRFKZMSHCYDMSF-INIZCTEOSA-N 1 2 395.305 2.253 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000876732900 653444804 /nfs/dbraw/zinc/44/48/04/653444804.db2.gz JAQJKVVGKRMZKY-QWRGUYRKSA-N 1 2 376.441 2.197 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000876732900 653444811 /nfs/dbraw/zinc/44/48/11/653444811.db2.gz JAQJKVVGKRMZKY-QWRGUYRKSA-N 1 2 376.441 2.197 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3cnc(Cl)c(F)c3)C2)cc1 ZINC000877377754 653480473 /nfs/dbraw/zinc/48/04/73/653480473.db2.gz XFJUMRMWKBYGQC-UHFFFAOYSA-N 1 2 385.848 2.045 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000779563834 653485024 /nfs/dbraw/zinc/48/50/24/653485024.db2.gz IWINRZBCOLZJMT-HZMBPMFUSA-N 1 2 386.235 2.315 20 0 GEADLO C[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C[C@H](O)c1cccc(Br)c1 ZINC000877588471 653613374 /nfs/dbraw/zinc/61/33/74/653613374.db2.gz QOTCXRKORVMEFK-IRXDYDNUSA-N 1 2 395.301 2.385 20 0 GEADLO C[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C[C@H](O)c1cccc(Br)c1 ZINC000877588471 653613376 /nfs/dbraw/zinc/61/33/76/653613376.db2.gz QOTCXRKORVMEFK-IRXDYDNUSA-N 1 2 395.301 2.385 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cccc(F)c2I)C1 ZINC000877653106 653615186 /nfs/dbraw/zinc/61/51/86/653615186.db2.gz YNPJDNXEEPEHRG-CQSZACIVSA-N 1 2 393.196 2.194 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cccc(F)c2I)C1 ZINC000877653106 653615188 /nfs/dbraw/zinc/61/51/88/653615188.db2.gz YNPJDNXEEPEHRG-CQSZACIVSA-N 1 2 393.196 2.194 20 0 GEADLO CN1C[C@@H]([N@H+](C)Cc2cccc(F)c2I)CCC1=O ZINC000877648377 653615252 /nfs/dbraw/zinc/61/52/52/653615252.db2.gz FPHNHSOQQDORBR-NSHDSACASA-N 1 2 376.213 2.483 20 0 GEADLO CN1C[C@@H]([N@@H+](C)Cc2cccc(F)c2I)CCC1=O ZINC000877648377 653615255 /nfs/dbraw/zinc/61/52/55/653615255.db2.gz FPHNHSOQQDORBR-NSHDSACASA-N 1 2 376.213 2.483 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[NH+](C[C@H]3CCc4ccccc43)CC2)cs1 ZINC000780301735 653623878 /nfs/dbraw/zinc/62/38/78/653623878.db2.gz BTTFACPEMSHLDG-MRXNPFEDSA-N 1 2 377.535 2.488 20 0 GEADLO CC(C)n1ccn(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1=S ZINC000814231449 653625459 /nfs/dbraw/zinc/62/54/59/653625459.db2.gz XLFFLQQIFNEGJF-UHFFFAOYSA-N 1 2 384.527 2.216 20 0 GEADLO CC(C)n1ccn(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1=S ZINC000814231449 653625462 /nfs/dbraw/zinc/62/54/62/653625462.db2.gz XLFFLQQIFNEGJF-UHFFFAOYSA-N 1 2 384.527 2.216 20 0 GEADLO Cc1occc1C(=O)NC1CC[NH+](C[C@@H](O)c2cc(Br)no2)CC1 ZINC000878045067 653627198 /nfs/dbraw/zinc/62/71/98/653627198.db2.gz TYUXNMNQIBGPSD-CYBMUJFWSA-N 1 2 398.257 2.266 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1CC2(CO1)CCOCC2 ZINC000878055593 653627284 /nfs/dbraw/zinc/62/72/84/653627284.db2.gz WBAYSIWQXDGBCC-CQSZACIVSA-N 1 2 398.301 2.300 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1CC2(CO1)CCOCC2 ZINC000878055593 653627286 /nfs/dbraw/zinc/62/72/86/653627286.db2.gz WBAYSIWQXDGBCC-CQSZACIVSA-N 1 2 398.301 2.300 20 0 GEADLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2ccc(Cl)c3nonc32)c1C ZINC000814383755 653628353 /nfs/dbraw/zinc/62/83/53/653628353.db2.gz YBZAHQWBFNDZEN-UHFFFAOYSA-N 1 2 382.829 2.375 20 0 GEADLO C[N@H+](C[C@@H](O)c1cc(Br)no1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000878100117 653628703 /nfs/dbraw/zinc/62/87/03/653628703.db2.gz KUUGEEMQYYUKFL-QWHCGFSZSA-N 1 2 398.232 2.347 20 0 GEADLO C[N@@H+](C[C@@H](O)c1cc(Br)no1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000878100117 653628706 /nfs/dbraw/zinc/62/87/06/653628706.db2.gz KUUGEEMQYYUKFL-QWHCGFSZSA-N 1 2 398.232 2.347 20 0 GEADLO Cc1[nH]nc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1Br ZINC000780751514 653631799 /nfs/dbraw/zinc/63/17/99/653631799.db2.gz XRKPQVVXGSRPTM-UHFFFAOYSA-N 1 2 399.333 2.445 20 0 GEADLO O[C@@H](C[N@@H+]1CCCN(c2ncccc2F)CC1)c1cc(Br)no1 ZINC000878483918 653638541 /nfs/dbraw/zinc/63/85/41/653638541.db2.gz HHBLXOJUQQIHSI-LBPRGKRZSA-N 1 2 385.237 2.217 20 0 GEADLO O[C@@H](C[N@H+]1CCCN(c2ncccc2F)CC1)c1cc(Br)no1 ZINC000878483918 653638546 /nfs/dbraw/zinc/63/85/46/653638546.db2.gz HHBLXOJUQQIHSI-LBPRGKRZSA-N 1 2 385.237 2.217 20 0 GEADLO O[C@H](C[N@@H+]1CCCN(c2ncccc2F)CC1)c1cc(Br)no1 ZINC000878483917 653638667 /nfs/dbraw/zinc/63/86/67/653638667.db2.gz HHBLXOJUQQIHSI-GFCCVEGCSA-N 1 2 385.237 2.217 20 0 GEADLO O[C@H](C[N@H+]1CCCN(c2ncccc2F)CC1)c1cc(Br)no1 ZINC000878483917 653638669 /nfs/dbraw/zinc/63/86/69/653638669.db2.gz HHBLXOJUQQIHSI-GFCCVEGCSA-N 1 2 385.237 2.217 20 0 GEADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878616378 653642609 /nfs/dbraw/zinc/64/26/09/653642609.db2.gz MVRRZAJTYXWXBH-NWDGAFQWSA-N 1 2 390.278 2.461 20 0 GEADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878616378 653642611 /nfs/dbraw/zinc/64/26/11/653642611.db2.gz MVRRZAJTYXWXBH-NWDGAFQWSA-N 1 2 390.278 2.461 20 0 GEADLO C[N@@H+](Cc1cccc(O)c1Br)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000839123851 653642786 /nfs/dbraw/zinc/64/27/86/653642786.db2.gz WUNBWOKFXSRWDF-GFCCVEGCSA-N 1 2 389.290 2.472 20 0 GEADLO C[N@H+](Cc1cccc(O)c1Br)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000839123851 653642788 /nfs/dbraw/zinc/64/27/88/653642788.db2.gz WUNBWOKFXSRWDF-GFCCVEGCSA-N 1 2 389.290 2.472 20 0 GEADLO C[C@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1ccc(F)c(Br)c1 ZINC000878652353 653643683 /nfs/dbraw/zinc/64/36/83/653643683.db2.gz OCDQEDJGEJGQIO-VIFPVBQESA-N 1 2 380.221 2.180 20 0 GEADLO C[C@@](O)(C[N@@H+]1CCN2C(=O)OC[C@@H]2C1)c1ccc(Br)cc1Cl ZINC000815061946 653649036 /nfs/dbraw/zinc/64/90/36/653649036.db2.gz BZXWOEVGEYPUBW-XHDPSFHLSA-N 1 2 389.677 2.446 20 0 GEADLO C[C@@](O)(C[N@H+]1CCN2C(=O)OC[C@@H]2C1)c1ccc(Br)cc1Cl ZINC000815061946 653649039 /nfs/dbraw/zinc/64/90/39/653649039.db2.gz BZXWOEVGEYPUBW-XHDPSFHLSA-N 1 2 389.677 2.446 20 0 GEADLO C[C@](O)(C[N@@H+]1CCN2C(=O)OC[C@H]2C1)c1ccc(Br)cc1Cl ZINC000815061943 653649080 /nfs/dbraw/zinc/64/90/80/653649080.db2.gz BZXWOEVGEYPUBW-ABAIWWIYSA-N 1 2 389.677 2.446 20 0 GEADLO C[C@](O)(C[N@H+]1CCN2C(=O)OC[C@H]2C1)c1ccc(Br)cc1Cl ZINC000815061943 653649083 /nfs/dbraw/zinc/64/90/83/653649083.db2.gz BZXWOEVGEYPUBW-ABAIWWIYSA-N 1 2 389.677 2.446 20 0 GEADLO Cc1nc(Cl)c(Cl)cc1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000839451232 653649710 /nfs/dbraw/zinc/64/97/10/653649710.db2.gz LJYKBZCBGQHBLI-UHFFFAOYSA-N 1 2 388.295 2.308 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)NCc1ccccn1 ZINC000878875709 653650356 /nfs/dbraw/zinc/65/03/56/653650356.db2.gz MASVQZSIPOKFSN-OAHLLOKOSA-N 1 2 391.269 2.009 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)NCc1ccccn1 ZINC000878875709 653650358 /nfs/dbraw/zinc/65/03/58/653650358.db2.gz MASVQZSIPOKFSN-OAHLLOKOSA-N 1 2 391.269 2.009 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(Cl)cc1Cl ZINC000815083061 653650525 /nfs/dbraw/zinc/65/05/25/653650525.db2.gz HGQHKGJXHQENRK-AOOOYVTPSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(Cl)cc1Cl ZINC000815083061 653650528 /nfs/dbraw/zinc/65/05/28/653650528.db2.gz HGQHKGJXHQENRK-AOOOYVTPSA-N 1 2 395.308 2.493 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2ccnc(Br)c2)C1)C1CC1 ZINC000815118837 653652810 /nfs/dbraw/zinc/65/28/10/653652810.db2.gz SJURIURFWOWGAZ-CYBMUJFWSA-N 1 2 388.331 2.138 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ccnc(Br)c2)C1)C1CC1 ZINC000815118837 653652813 /nfs/dbraw/zinc/65/28/13/653652813.db2.gz SJURIURFWOWGAZ-CYBMUJFWSA-N 1 2 388.331 2.138 20 0 GEADLO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000861346452 653655232 /nfs/dbraw/zinc/65/52/32/653655232.db2.gz IXUCCKMJDZHDKJ-ZBEGNZNMSA-N 1 2 375.874 2.010 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3ncccc3Br)C2)n1 ZINC000879018074 653655234 /nfs/dbraw/zinc/65/52/34/653655234.db2.gz QFAYWIDJSNXAEE-INIZCTEOSA-N 1 2 381.274 2.359 20 0 GEADLO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000861346452 653655235 /nfs/dbraw/zinc/65/52/35/653655235.db2.gz IXUCCKMJDZHDKJ-ZBEGNZNMSA-N 1 2 375.874 2.010 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3ncccc3Br)C2)n1 ZINC000879018074 653655239 /nfs/dbraw/zinc/65/52/39/653655239.db2.gz QFAYWIDJSNXAEE-INIZCTEOSA-N 1 2 381.274 2.359 20 0 GEADLO COC(=O)[C@H]1C[N@H+](C[C@H](O)c2cc(Br)no2)Cc2ccccc21 ZINC000879061882 653657477 /nfs/dbraw/zinc/65/74/77/653657477.db2.gz GPNHURBEHBAMPV-STQMWFEESA-N 1 2 381.226 2.243 20 0 GEADLO COC(=O)[C@H]1C[N@@H+](C[C@H](O)c2cc(Br)no2)Cc2ccccc21 ZINC000879061882 653657480 /nfs/dbraw/zinc/65/74/80/653657480.db2.gz GPNHURBEHBAMPV-STQMWFEESA-N 1 2 381.226 2.243 20 0 GEADLO COC(=O)[C@@H]1CC(=O)N(C[N@H+](Cc2cccc(Br)c2)C2CC2)C1 ZINC000782265382 653658249 /nfs/dbraw/zinc/65/82/49/653658249.db2.gz DSGFHKMJBUDXES-CYBMUJFWSA-N 1 2 381.270 2.393 20 0 GEADLO COC(=O)[C@@H]1CC(=O)N(C[N@@H+](Cc2cccc(Br)c2)C2CC2)C1 ZINC000782265382 653658250 /nfs/dbraw/zinc/65/82/50/653658250.db2.gz DSGFHKMJBUDXES-CYBMUJFWSA-N 1 2 381.270 2.393 20 0 GEADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839639933 653659110 /nfs/dbraw/zinc/65/91/10/653659110.db2.gz KGONOEYWFSUAMN-GXFFZTMASA-N 1 2 395.305 2.009 20 0 GEADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839639933 653659113 /nfs/dbraw/zinc/65/91/13/653659113.db2.gz KGONOEYWFSUAMN-GXFFZTMASA-N 1 2 395.305 2.009 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)c1ccc(Br)s1 ZINC000839713688 653661050 /nfs/dbraw/zinc/66/10/50/653661050.db2.gz TUPAZNFOFYWOBR-SNVBAGLBSA-N 1 2 380.267 2.483 20 0 GEADLO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000840021691 653671608 /nfs/dbraw/zinc/67/16/08/653671608.db2.gz CNNKYIBBFOXGFY-OWCLPIDISA-N 1 2 392.297 2.075 20 0 GEADLO O=C1[C@@H](c2cccc(Br)c2)CCN1C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000840021691 653671610 /nfs/dbraw/zinc/67/16/10/653671610.db2.gz CNNKYIBBFOXGFY-OWCLPIDISA-N 1 2 392.297 2.075 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cn3ccc(-c4cc(Cl)ccc4Cl)n3)C[C@@H]2N1 ZINC000840152296 653677018 /nfs/dbraw/zinc/67/70/18/653677018.db2.gz ILKODQSLAHSQPU-HOTGVXAUSA-N 1 2 381.263 2.404 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cn3ccc(-c4cc(Cl)ccc4Cl)n3)C[C@@H]2N1 ZINC000840152296 653677022 /nfs/dbraw/zinc/67/70/22/653677022.db2.gz ILKODQSLAHSQPU-HOTGVXAUSA-N 1 2 381.263 2.404 20 0 GEADLO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1ncc(Br)s1 ZINC000783550286 653680690 /nfs/dbraw/zinc/68/06/90/653680690.db2.gz ZHZMVTQXLWDWTI-UHFFFAOYSA-N 1 2 390.328 2.115 20 0 GEADLO CO[C@H]1CCC[N@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000783603683 653681073 /nfs/dbraw/zinc/68/10/73/653681073.db2.gz VVEGTZLOLNDWOV-KGLIPLIRSA-N 1 2 375.922 2.205 20 0 GEADLO CO[C@H]1CCC[N@@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000783603683 653681075 /nfs/dbraw/zinc/68/10/75/653681075.db2.gz VVEGTZLOLNDWOV-KGLIPLIRSA-N 1 2 375.922 2.205 20 0 GEADLO CC[N@H+](C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@H](C)CS(C)(=O)=O ZINC000862245855 653681545 /nfs/dbraw/zinc/68/15/45/653681545.db2.gz ZOZKDGDBESUHTF-ZIAGYGMSSA-N 1 2 378.535 2.113 20 0 GEADLO CC[N@@H+](C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@H](C)CS(C)(=O)=O ZINC000862245855 653681547 /nfs/dbraw/zinc/68/15/47/653681547.db2.gz ZOZKDGDBESUHTF-ZIAGYGMSSA-N 1 2 378.535 2.113 20 0 GEADLO CC(C)[N@H+](CCS(C)(=O)=O)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862249615 653681799 /nfs/dbraw/zinc/68/17/99/653681799.db2.gz WMXSDAMAKITJIT-CQSZACIVSA-N 1 2 378.535 2.113 20 0 GEADLO CC(C)[N@@H+](CCS(C)(=O)=O)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862249615 653681801 /nfs/dbraw/zinc/68/18/01/653681801.db2.gz WMXSDAMAKITJIT-CQSZACIVSA-N 1 2 378.535 2.113 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000840353386 653683512 /nfs/dbraw/zinc/68/35/12/653683512.db2.gz ZZMWUSMDJDSOLZ-CABCVRRESA-N 1 2 393.285 2.335 20 0 GEADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1C[C@@H]2C[C@]2(CO)C1 ZINC000783788884 653684739 /nfs/dbraw/zinc/68/47/39/653684739.db2.gz MUOIBIIQMZKFOU-QILLFSRXSA-N 1 2 379.298 2.427 20 0 GEADLO C[C@@H]1[C@H]([NH2+]Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)CCS1(=O)=O ZINC000862511802 653687743 /nfs/dbraw/zinc/68/77/43/653687743.db2.gz BGLPMCWOOIIXMF-TZMCWYRMSA-N 1 2 382.917 2.257 20 0 GEADLO OCC1(CO)CC[NH+](Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000879968643 653690526 /nfs/dbraw/zinc/69/05/26/653690526.db2.gz RXNACIUYQGVBSF-UHFFFAOYSA-N 1 2 388.287 2.127 20 0 GEADLO O=C1OCC[C@@]12CCC[N@H+]2C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000784352370 653692498 /nfs/dbraw/zinc/69/24/98/653692498.db2.gz SUDWGGSGJNLVLY-BBRMVZONSA-N 1 2 388.233 2.109 20 0 GEADLO O=C1OCC[C@@]12CCC[N@@H+]2C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000784352370 653692500 /nfs/dbraw/zinc/69/25/00/653692500.db2.gz SUDWGGSGJNLVLY-BBRMVZONSA-N 1 2 388.233 2.109 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1snc(Cl)c1Cl ZINC000816917829 653695742 /nfs/dbraw/zinc/69/57/42/653695742.db2.gz DDEBRUAKDCNPKB-UHFFFAOYSA-N 1 2 376.269 2.231 20 0 GEADLO CCn1c2ccccc2n(C[N@@H+]2CCC[C@H](CS(=O)(=O)NC)C2)c1=S ZINC000863341302 653707178 /nfs/dbraw/zinc/70/71/78/653707178.db2.gz RRVDYOQYLNSCJF-AWEZNQCLSA-N 1 2 382.555 2.411 20 0 GEADLO CCn1c2ccccc2n(C[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)c1=S ZINC000863341302 653707179 /nfs/dbraw/zinc/70/71/79/653707179.db2.gz RRVDYOQYLNSCJF-AWEZNQCLSA-N 1 2 382.555 2.411 20 0 GEADLO CC[C@H](O)C[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785530546 653711605 /nfs/dbraw/zinc/71/16/05/653711605.db2.gz XWLJCNFSHRHQJK-ZDUSSCGKSA-N 1 2 394.331 2.075 20 0 GEADLO CC[C@H](O)C[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785530546 653711609 /nfs/dbraw/zinc/71/16/09/653711609.db2.gz XWLJCNFSHRHQJK-ZDUSSCGKSA-N 1 2 394.331 2.075 20 0 GEADLO CC1CCN(C(=S)SCC(=O)N(C)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000841347397 653713429 /nfs/dbraw/zinc/71/34/29/653713429.db2.gz RVGQTYKYKUPZMQ-UHFFFAOYSA-N 1 2 387.615 2.306 20 0 GEADLO C[C@@H](Cc1ccccc1)NC(=S)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000786069115 653718426 /nfs/dbraw/zinc/71/84/26/653718426.db2.gz PPFOKMVGCQUFJG-LPHOPBHVSA-N 1 2 379.595 2.290 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)c(F)cc1Cl ZINC000841478506 653719101 /nfs/dbraw/zinc/71/91/01/653719101.db2.gz DCZUMALINFKMTE-SNVBAGLBSA-N 1 2 378.853 2.028 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)c(F)cc1Cl ZINC000841478506 653719103 /nfs/dbraw/zinc/71/91/03/653719103.db2.gz DCZUMALINFKMTE-SNVBAGLBSA-N 1 2 378.853 2.028 20 0 GEADLO COc1cc(NS(=O)(=O)c2cccnc2Cl)ccc1OCC[NH+](C)C ZINC000841504037 653722538 /nfs/dbraw/zinc/72/25/38/653722538.db2.gz RYUHGHPQYBCCJJ-UHFFFAOYSA-N 1 2 385.873 2.485 20 0 GEADLO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000818007037 653723681 /nfs/dbraw/zinc/72/36/81/653723681.db2.gz WIYLTMJQGPRSEK-NSHDSACASA-N 1 2 378.420 2.252 20 0 GEADLO C[C@](O)(Cn1cc(Cn2cc[nH+]c2)nn1)c1ccc(Br)cc1F ZINC000881425476 653730859 /nfs/dbraw/zinc/73/08/59/653730859.db2.gz YPPPEZRIBIRVAM-HNNXBMFYSA-N 1 2 380.221 2.332 20 0 GEADLO O=C(c1ncc(Br)cn1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000787001082 653733040 /nfs/dbraw/zinc/73/30/40/653733040.db2.gz USVZIGWGJOWZBO-UHFFFAOYSA-N 1 2 391.269 2.076 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(Br)nn1C ZINC000787133129 653734767 /nfs/dbraw/zinc/73/47/67/653734767.db2.gz YDWGUJIEABOGMR-JTQLQIEISA-N 1 2 387.303 2.023 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(Br)nn1C ZINC000787133129 653734768 /nfs/dbraw/zinc/73/47/68/653734768.db2.gz YDWGUJIEABOGMR-JTQLQIEISA-N 1 2 387.303 2.023 20 0 GEADLO CC(C)n1ncc(C(=O)NCCCn2cc[nH+]c2)c1I ZINC000864413172 653735303 /nfs/dbraw/zinc/73/53/03/653735303.db2.gz CFIXCYVTOFKGNT-UHFFFAOYSA-N 1 2 387.225 2.085 20 0 GEADLO C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)NCCCn1cc[nH+]c1 ZINC000864414747 653735381 /nfs/dbraw/zinc/73/53/81/653735381.db2.gz WJLYYYHPLVVGER-KRWDZBQOSA-N 1 2 395.301 2.329 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000864424290 653735679 /nfs/dbraw/zinc/73/56/79/653735679.db2.gz UPSQITSEYXSTPD-VXGBXAGGSA-N 1 2 379.258 2.337 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000841572687 653736617 /nfs/dbraw/zinc/73/66/17/653736617.db2.gz GDGIOAYWTNTTRL-VXGBXAGGSA-N 1 2 398.472 2.374 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000841572687 653736620 /nfs/dbraw/zinc/73/66/20/653736620.db2.gz GDGIOAYWTNTTRL-VXGBXAGGSA-N 1 2 398.472 2.374 20 0 GEADLO CCn1nncc1CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000841877881 653742320 /nfs/dbraw/zinc/74/23/20/653742320.db2.gz QGDKOAUXZIEKAF-UHFFFAOYSA-N 1 2 379.306 2.424 20 0 GEADLO COc1cc(I)ccc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000864884982 653747768 /nfs/dbraw/zinc/74/77/68/653747768.db2.gz QXLVDPZYJFTNHT-SNVBAGLBSA-N 1 2 385.205 2.315 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000788156061 653750973 /nfs/dbraw/zinc/75/09/73/653750973.db2.gz XJVFWCICSTXNKQ-QMTHXVAHSA-N 1 2 386.235 2.315 20 0 GEADLO COc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cnc1Br ZINC000788157000 653751058 /nfs/dbraw/zinc/75/10/58/653751058.db2.gz XGULOXVCZUBLJL-UHFFFAOYSA-N 1 2 379.258 2.358 20 0 GEADLO CC(C)OC[C@H](O)CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000819475397 653751254 /nfs/dbraw/zinc/75/12/54/653751254.db2.gz NTAVPJROAAQXON-OAHLLOKOSA-N 1 2 386.334 2.399 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)CC[C@H]1CC1(Cl)Cl ZINC000882010215 653757022 /nfs/dbraw/zinc/75/70/22/653757022.db2.gz KDUKZGUKVAPDOC-ZDUSSCGKSA-N 1 2 387.373 2.190 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1Cl ZINC000788598722 653760283 /nfs/dbraw/zinc/76/02/83/653760283.db2.gz JALZOUVUMNZZMD-VIFPVBQESA-N 1 2 378.903 2.012 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(C)c1Cl ZINC000788598722 653760287 /nfs/dbraw/zinc/76/02/87/653760287.db2.gz JALZOUVUMNZZMD-VIFPVBQESA-N 1 2 378.903 2.012 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000842615350 653760410 /nfs/dbraw/zinc/76/04/10/653760410.db2.gz MRWLNCMBWKHQQC-AWEZNQCLSA-N 1 2 388.269 2.339 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000842615350 653760411 /nfs/dbraw/zinc/76/04/11/653760411.db2.gz MRWLNCMBWKHQQC-AWEZNQCLSA-N 1 2 388.269 2.339 20 0 GEADLO Cn1cc(N2CC[C@H]([NH2+]Cc3cc(Br)cnc3Cl)C2=O)cn1 ZINC000842683245 653762861 /nfs/dbraw/zinc/76/28/61/653762861.db2.gz IADQVKWPAMMYHS-LBPRGKRZSA-N 1 2 384.665 2.126 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)[C@H](C)C1 ZINC000788671387 653762853 /nfs/dbraw/zinc/76/28/53/653762853.db2.gz IPIRQVKCFOBBGX-GHMZBOCLSA-N 1 2 389.930 2.025 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)[C@H](C)C1 ZINC000788671387 653762854 /nfs/dbraw/zinc/76/28/54/653762854.db2.gz IPIRQVKCFOBBGX-GHMZBOCLSA-N 1 2 389.930 2.025 20 0 GEADLO O=C(C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)Nc1cc(Cl)ccc1Cl ZINC000865400373 653764324 /nfs/dbraw/zinc/76/43/24/653764324.db2.gz ATGVTPFLQSUOHZ-CYBMUJFWSA-N 1 2 384.267 2.492 20 0 GEADLO O=S(=O)(C[C@H](O)C[NH2+]Cc1c(Cl)cncc1Cl)c1cccs1 ZINC000865508284 653766928 /nfs/dbraw/zinc/76/69/28/653766928.db2.gz NFUMDYFMYOSUFY-SECBINFHSA-N 1 2 381.306 2.374 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCSCc1ccnc(Cl)c1 ZINC000789179289 653769994 /nfs/dbraw/zinc/76/99/94/653769994.db2.gz LRZAJULCUAPQHX-CQSZACIVSA-N 1 2 386.949 2.330 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000842840678 653770256 /nfs/dbraw/zinc/77/02/56/653770256.db2.gz FXDVAEMOWJYACE-GFCCVEGCSA-N 1 2 375.281 2.062 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)c(Cl)cc1Cl ZINC000842881788 653771789 /nfs/dbraw/zinc/77/17/89/653771789.db2.gz SDJDCCNHIKOMIX-CQSZACIVSA-N 1 2 399.271 2.102 20 0 GEADLO O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]Cc2ncc(C3OCCO3)s2)C1 ZINC000865766268 653774203 /nfs/dbraw/zinc/77/42/03/653774203.db2.gz IGTOEFYGIGFHFN-MQMHXKEQSA-N 1 2 380.491 2.283 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(F)cc1Cl ZINC000842962507 653774874 /nfs/dbraw/zinc/77/48/74/653774874.db2.gz HWGMGQFEPNLICB-OCCSQVGLSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(F)cc1Cl ZINC000842962507 653774877 /nfs/dbraw/zinc/77/48/77/653774877.db2.gz HWGMGQFEPNLICB-OCCSQVGLSA-N 1 2 375.824 2.137 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000789560987 653777193 /nfs/dbraw/zinc/77/71/93/653777193.db2.gz OSYKBORFRNDXDS-LBPRGKRZSA-N 1 2 382.251 2.207 20 0 GEADLO COc1c(Br)cccc1C[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000865866879 653777686 /nfs/dbraw/zinc/77/76/86/653777686.db2.gz SUWYBKAZUPRZOF-UHFFFAOYSA-N 1 2 380.242 2.316 20 0 GEADLO COc1ccc(Br)cc1C[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000865867731 653777932 /nfs/dbraw/zinc/77/79/32/653777932.db2.gz QSOOZCOXKQQKKR-UHFFFAOYSA-N 1 2 380.242 2.316 20 0 GEADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2nc(-c3cccs3)cs2)[nH+]1 ZINC000789595285 653778567 /nfs/dbraw/zinc/77/85/67/653778567.db2.gz ACEYXHZDRZXDJW-UHFFFAOYSA-N 1 2 395.857 2.178 20 0 GEADLO CC(=O)N[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000866002075 653783088 /nfs/dbraw/zinc/78/30/88/653783088.db2.gz MLRPIXGKKPYRJC-BLLLJJGKSA-N 1 2 393.285 2.275 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(C3SCCS3)cc2)C1 ZINC000866402135 653793183 /nfs/dbraw/zinc/79/31/83/653793183.db2.gz IGKNEYTWEPEKBZ-AWEZNQCLSA-N 1 2 375.537 2.204 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(C3SCCS3)cc2)C1 ZINC000866402135 653793185 /nfs/dbraw/zinc/79/31/85/653793185.db2.gz IGKNEYTWEPEKBZ-AWEZNQCLSA-N 1 2 375.537 2.204 20 0 GEADLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000882734969 653801290 /nfs/dbraw/zinc/80/12/90/653801290.db2.gz QTUKIGNHEXRSRH-UHFFFAOYSA-N 1 2 375.922 2.247 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000882735710 653801650 /nfs/dbraw/zinc/80/16/50/653801650.db2.gz RDYLDHGJFWLGOE-CQSZACIVSA-N 1 2 377.242 2.175 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000882735710 653801651 /nfs/dbraw/zinc/80/16/51/653801651.db2.gz RDYLDHGJFWLGOE-CQSZACIVSA-N 1 2 377.242 2.175 20 0 GEADLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000882765433 653805866 /nfs/dbraw/zinc/80/58/66/653805866.db2.gz ZQWFMJTVNFSYAY-JSGCOSHPSA-N 1 2 376.906 2.126 20 0 GEADLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000882765433 653805869 /nfs/dbraw/zinc/80/58/69/653805869.db2.gz ZQWFMJTVNFSYAY-JSGCOSHPSA-N 1 2 376.906 2.126 20 0 GEADLO COCC[N@@H+]1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)C(C)(C)C1 ZINC000844432380 653806081 /nfs/dbraw/zinc/80/60/81/653806081.db2.gz UMHGSJZYWOYQSC-UHFFFAOYSA-N 1 2 376.469 2.226 20 0 GEADLO COCC[N@H+]1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)C(C)(C)C1 ZINC000844432380 653806086 /nfs/dbraw/zinc/80/60/86/653806086.db2.gz UMHGSJZYWOYQSC-UHFFFAOYSA-N 1 2 376.469 2.226 20 0 GEADLO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Br)cc(F)c1O ZINC000866609209 653806195 /nfs/dbraw/zinc/80/61/95/653806195.db2.gz JRLCJHIJYFYJIA-LBPRGKRZSA-N 1 2 387.249 2.277 20 0 GEADLO Cc1ccc([C@@H](CNS(=O)(=O)c2nc[nH]c2Br)[NH+](C)C)cc1 ZINC000866644130 653808113 /nfs/dbraw/zinc/80/81/13/653808113.db2.gz QHTLPFROBBDBKE-GFCCVEGCSA-N 1 2 387.303 2.062 20 0 GEADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1sccc1S(N)(=O)=O ZINC000791304442 653808241 /nfs/dbraw/zinc/80/82/41/653808241.db2.gz CZSYKMHAXIQYIV-UHFFFAOYSA-N 1 2 377.447 2.247 20 0 GEADLO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1nc(Br)c[nH]1 ZINC000895018711 653812735 /nfs/dbraw/zinc/81/27/35/653812735.db2.gz UEYNURWKZOGDDU-UHFFFAOYSA-N 1 2 377.242 2.290 20 0 GEADLO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1nc(Br)c[nH]1 ZINC000895018711 653812741 /nfs/dbraw/zinc/81/27/41/653812741.db2.gz UEYNURWKZOGDDU-UHFFFAOYSA-N 1 2 377.242 2.290 20 0 GEADLO Nc1cc(COC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc[nH+]1 ZINC000791573860 653818221 /nfs/dbraw/zinc/81/82/21/653818221.db2.gz SVKMEKTWMRTDNI-UHFFFAOYSA-N 1 2 381.479 2.257 20 0 GEADLO O=C(c1nc(Br)ccc1F)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000791607410 653819285 /nfs/dbraw/zinc/81/92/85/653819285.db2.gz XTCBICCYDJMTCP-LBPRGKRZSA-N 1 2 386.265 2.310 20 0 GEADLO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000866762147 653821081 /nfs/dbraw/zinc/82/10/81/653821081.db2.gz JMUBKVUKVPKCLQ-GFCCVEGCSA-N 1 2 395.897 2.075 20 0 GEADLO C[C@H](Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000895246057 653824693 /nfs/dbraw/zinc/82/46/93/653824693.db2.gz LEQFMSJHMDQPCK-GWCFXTLKSA-N 1 2 383.411 2.165 20 0 GEADLO C[C@H](Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F)[C@@H]1C[N@@H+](C)CCN1C ZINC000895246057 653824694 /nfs/dbraw/zinc/82/46/94/653824694.db2.gz LEQFMSJHMDQPCK-GWCFXTLKSA-N 1 2 383.411 2.165 20 0 GEADLO COc1cc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)cc(Br)c1OC(F)F ZINC000895332673 653828420 /nfs/dbraw/zinc/82/84/20/653828420.db2.gz YKUSFYXRYJCEKX-BONVTDFDSA-N 1 2 396.228 2.377 20 0 GEADLO COc1cc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)cc(Br)c1OC(F)F ZINC000895332673 653828424 /nfs/dbraw/zinc/82/84/24/653828424.db2.gz YKUSFYXRYJCEKX-BONVTDFDSA-N 1 2 396.228 2.377 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1cscc1Br ZINC000883118443 653829035 /nfs/dbraw/zinc/82/90/35/653829035.db2.gz WUMUKWVHZSSCOX-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO Nc1cc(COC(=O)c2cc3c(cc2Br)NC(=O)CO3)cc[nH+]1 ZINC000792120388 653835385 /nfs/dbraw/zinc/83/53/85/653835385.db2.gz OSJQQYJJBMQJBM-UHFFFAOYSA-N 1 2 378.182 2.114 20 0 GEADLO Cn1ccn2c(C[NH2+][C@H]3CCc4c3ccc(F)c4Br)nnc2c1=O ZINC000883337089 653836143 /nfs/dbraw/zinc/83/61/43/653836143.db2.gz YWOQPMFYEQAXMT-LBPRGKRZSA-N 1 2 392.232 2.107 20 0 GEADLO CC(C)(C)OCCC[NH+]1CCN(C(=O)NCC[S@](=O)C(C)(C)C)CC1 ZINC000883423742 653839465 /nfs/dbraw/zinc/83/94/65/653839465.db2.gz UHEDKWKEVAKZML-VWLOTQADSA-N 1 2 375.579 2.066 20 0 GEADLO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1cnc(Br)cn1 ZINC000895643766 653844505 /nfs/dbraw/zinc/84/45/05/653844505.db2.gz VBQJNQHYJMTBGX-LLVKDONJSA-N 1 2 380.242 2.469 20 0 GEADLO CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=S1(=O)CCCC1 ZINC000866902274 653846707 /nfs/dbraw/zinc/84/67/07/653846707.db2.gz BIIBYIWDTLNFSQ-QGZVFWFLSA-N 1 2 385.555 2.089 20 0 GEADLO CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N=S1(=O)CCCC1 ZINC000866902274 653846712 /nfs/dbraw/zinc/84/67/12/653846712.db2.gz BIIBYIWDTLNFSQ-QGZVFWFLSA-N 1 2 385.555 2.089 20 0 GEADLO COC(=O)c1ccoc1S(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000866906146 653847389 /nfs/dbraw/zinc/84/73/89/653847389.db2.gz ROSOYEQHMLPVNV-CQSZACIVSA-N 1 2 386.857 2.301 20 0 GEADLO Brc1cnc([C@H]2CCCN2c2cc(N3CCOCC3)[nH+]cn2)nc1 ZINC000895717026 653847643 /nfs/dbraw/zinc/84/76/43/653847643.db2.gz LQSFNFHZHGXEGP-CYBMUJFWSA-N 1 2 391.273 2.207 20 0 GEADLO Brc1cnc([C@H]2CCCN2c2cc(N3CCOCC3)nc[nH+]2)nc1 ZINC000895717026 653847649 /nfs/dbraw/zinc/84/76/49/653847649.db2.gz LQSFNFHZHGXEGP-CYBMUJFWSA-N 1 2 391.273 2.207 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895846928 653852373 /nfs/dbraw/zinc/85/23/73/653852373.db2.gz RXSYYJVAPNYJKV-LZWOXQAQSA-N 1 2 387.933 2.205 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895846928 653852376 /nfs/dbraw/zinc/85/23/76/653852376.db2.gz RXSYYJVAPNYJKV-LZWOXQAQSA-N 1 2 387.933 2.205 20 0 GEADLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1nn2c(c1Br)CCC2 ZINC000895847750 653852396 /nfs/dbraw/zinc/85/23/96/653852396.db2.gz GUTJDCFHYXZLNQ-UHFFFAOYSA-N 1 2 395.326 2.441 20 0 GEADLO O=C(NCC[N@H+]1CCc2sccc2C1)c1nn2c(c1Br)CCC2 ZINC000895847750 653852399 /nfs/dbraw/zinc/85/23/99/653852399.db2.gz GUTJDCFHYXZLNQ-UHFFFAOYSA-N 1 2 395.326 2.441 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895846908 653852513 /nfs/dbraw/zinc/85/25/13/653852513.db2.gz RXSYYJVAPNYJKV-FMKPAKJESA-N 1 2 387.933 2.205 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895846908 653852517 /nfs/dbraw/zinc/85/25/17/653852517.db2.gz RXSYYJVAPNYJKV-FMKPAKJESA-N 1 2 387.933 2.205 20 0 GEADLO C[C@]12CC[N@H+](CC(=O)NC[C@H]3COc4ccccc4O3)C[C@H]1C2(Cl)Cl ZINC000792895618 653854910 /nfs/dbraw/zinc/85/49/10/653854910.db2.gz BEKGNEXIZVCBAN-MJEQTWJJSA-N 1 2 385.291 2.458 20 0 GEADLO C[C@]12CC[N@@H+](CC(=O)NC[C@H]3COc4ccccc4O3)C[C@H]1C2(Cl)Cl ZINC000792895618 653854911 /nfs/dbraw/zinc/85/49/11/653854911.db2.gz BEKGNEXIZVCBAN-MJEQTWJJSA-N 1 2 385.291 2.458 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000823143901 653855465 /nfs/dbraw/zinc/85/54/65/653855465.db2.gz VPIVJGHDFOYSQY-NSHDSACASA-N 1 2 377.229 2.066 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000866958799 653855553 /nfs/dbraw/zinc/85/55/53/653855553.db2.gz OWHGAHXOPUPVON-ROYPQONJSA-N 1 2 382.511 2.168 20 0 GEADLO CO[C@H]1CC[C@H](C)[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000895926626 653857210 /nfs/dbraw/zinc/85/72/10/653857210.db2.gz IWLUGJFXGTYPGV-JQWIXIFHSA-N 1 2 377.304 2.096 20 0 GEADLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000895926626 653857212 /nfs/dbraw/zinc/85/72/12/653857212.db2.gz IWLUGJFXGTYPGV-JQWIXIFHSA-N 1 2 377.304 2.096 20 0 GEADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1nn2c(c1Br)CCC2 ZINC000895951782 653858242 /nfs/dbraw/zinc/85/82/42/653858242.db2.gz RFWFEURKZIHKPM-UHFFFAOYSA-N 1 2 375.270 2.337 20 0 GEADLO CCCN1C(=O)CC[C@@H](C(=O)NC[C@@H]2CC2(Cl)Cl)[C@@H]1c1c[nH+]cn1C ZINC000792980141 653858815 /nfs/dbraw/zinc/85/88/15/653858815.db2.gz ORAJIZABHVGQEB-YWPYICTPSA-N 1 2 387.311 2.420 20 0 GEADLO O=C(NCc1cscc1Cl)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000884089081 653862739 /nfs/dbraw/zinc/86/27/39/653862739.db2.gz DXOOTRTUZBWHOE-OAHLLOKOSA-N 1 2 375.947 2.409 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000867001473 653863514 /nfs/dbraw/zinc/86/35/14/653863514.db2.gz GHIHKGKRPVSXKL-CQSZACIVSA-N 1 2 387.373 2.190 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(C)=Cc1ccc(Br)o1 ZINC000867011701 653865129 /nfs/dbraw/zinc/86/51/29/653865129.db2.gz VIXUKEPEARWQDY-LHXVZLOVSA-N 1 2 382.214 2.069 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(C)=Cc1ccc(Br)o1 ZINC000867011701 653865133 /nfs/dbraw/zinc/86/51/33/653865133.db2.gz VIXUKEPEARWQDY-LHXVZLOVSA-N 1 2 382.214 2.069 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000793251139 653872107 /nfs/dbraw/zinc/87/21/07/653872107.db2.gz UIQCNPIMOVDOIT-UHFFFAOYSA-N 1 2 383.495 2.056 20 0 GEADLO COC(=O)[C@@](C)(NC(=O)CCc1c[nH]c[nH+]1)c1cccc(Br)c1 ZINC000793476558 653878992 /nfs/dbraw/zinc/87/89/92/653878992.db2.gz VJHKJIHZNLDKBL-INIZCTEOSA-N 1 2 380.242 2.309 20 0 GEADLO COC(=O)[C@@](C)(NC(=O)CCc1c[nH+]c[nH]1)c1cccc(Br)c1 ZINC000793476558 653878993 /nfs/dbraw/zinc/87/89/93/653878993.db2.gz VJHKJIHZNLDKBL-INIZCTEOSA-N 1 2 380.242 2.309 20 0 GEADLO Cc1ccc([C@H](C)NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)s1 ZINC000793851659 653886677 /nfs/dbraw/zinc/88/66/77/653886677.db2.gz SPDFYNDGQWJKON-ZDUSSCGKSA-N 1 2 377.535 2.470 20 0 GEADLO Cc1ccc([C@H](C)NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)s1 ZINC000793851659 653886679 /nfs/dbraw/zinc/88/66/79/653886679.db2.gz SPDFYNDGQWJKON-ZDUSSCGKSA-N 1 2 377.535 2.470 20 0 GEADLO CCn1c(Br)c(Br)nc1C[N@H+](CC)CCC(N)=O ZINC000896707636 653892205 /nfs/dbraw/zinc/89/22/05/653892205.db2.gz YVPVOWUTSYTZPS-UHFFFAOYSA-N 1 2 382.100 2.125 20 0 GEADLO CCn1c(Br)c(Br)nc1C[N@@H+](CC)CCC(N)=O ZINC000896707636 653892207 /nfs/dbraw/zinc/89/22/07/653892207.db2.gz YVPVOWUTSYTZPS-UHFFFAOYSA-N 1 2 382.100 2.125 20 0 GEADLO CS(=O)(=O)C[C@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCO1 ZINC000896878860 653898004 /nfs/dbraw/zinc/89/80/04/653898004.db2.gz VOKQTTUFQLGURB-LLVKDONJSA-N 1 2 385.283 2.247 20 0 GEADLO Cc1[nH]c(CNC(=O)COc2ccc(I)cc2)[nH+]c1C ZINC000896929649 653899765 /nfs/dbraw/zinc/89/97/65/653899765.db2.gz PZGGGJGCVVIMKI-UHFFFAOYSA-N 1 2 385.205 2.326 20 0 GEADLO COc1nsc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c1Br ZINC000897020861 653904372 /nfs/dbraw/zinc/90/43/72/653904372.db2.gz MLRBMVXHXLGOOP-VIFPVBQESA-N 1 2 376.276 2.235 20 0 GEADLO Cc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)nc1Br ZINC000794356768 653904794 /nfs/dbraw/zinc/90/47/94/653904794.db2.gz ABKIIMAHUNZOOS-CYBMUJFWSA-N 1 2 383.290 2.481 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Cc2cccc(Br)c2C)CC1 ZINC000846617786 653904859 /nfs/dbraw/zinc/90/48/59/653904859.db2.gz WNBJWULSRIYCHO-UHFFFAOYSA-N 1 2 399.329 2.107 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+](CC2(Br)CC2)C1)c1cccc(F)c1 ZINC000846825666 653911306 /nfs/dbraw/zinc/91/13/06/653911306.db2.gz MKLBKTHRXIXXBM-ZDUSSCGKSA-N 1 2 391.306 2.496 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+](CC2(Br)CC2)C1)c1cccc(F)c1 ZINC000846825666 653911308 /nfs/dbraw/zinc/91/13/08/653911308.db2.gz MKLBKTHRXIXXBM-ZDUSSCGKSA-N 1 2 391.306 2.496 20 0 GEADLO CC1(C)C(=O)N[C@H]1C1CC[NH+](CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000846925035 653913292 /nfs/dbraw/zinc/91/32/92/653913292.db2.gz FMGWJNLQGXQVPP-INIZCTEOSA-N 1 2 384.929 2.350 20 0 GEADLO Ic1cnn2c1C[N@H+](Cc1cnn(C3CCC3)c1)CC2 ZINC000897289468 653914779 /nfs/dbraw/zinc/91/47/79/653914779.db2.gz YQUWYSIMEMYWDX-UHFFFAOYSA-N 1 2 383.237 2.425 20 0 GEADLO Ic1cnn2c1C[N@@H+](Cc1cnn(C3CCC3)c1)CC2 ZINC000897289468 653914781 /nfs/dbraw/zinc/91/47/81/653914781.db2.gz YQUWYSIMEMYWDX-UHFFFAOYSA-N 1 2 383.237 2.425 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3nc(-c4cccc(Br)c4)no3)C[C@@H]21 ZINC000794983651 653926202 /nfs/dbraw/zinc/92/62/02/653926202.db2.gz MTIYRSWEGZGJFS-IMRBUKKESA-N 1 2 378.226 2.350 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3nc(-c4cccc(Br)c4)no3)C[C@@H]21 ZINC000794983651 653926204 /nfs/dbraw/zinc/92/62/04/653926204.db2.gz MTIYRSWEGZGJFS-IMRBUKKESA-N 1 2 378.226 2.350 20 0 GEADLO CC[NH+]1CCN(S(=O)(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000795049002 653927497 /nfs/dbraw/zinc/92/74/97/653927497.db2.gz CXAXJQZGXMTJKY-UHFFFAOYSA-N 1 2 387.299 2.150 20 0 GEADLO CC(C)(C)n1ncc(C(=O)OCCn2cc[nH+]c2)c1I ZINC000885349369 653928280 /nfs/dbraw/zinc/92/82/80/653928280.db2.gz UPLDCSFWIFSNNI-UHFFFAOYSA-N 1 2 388.209 2.296 20 0 GEADLO COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3ncc(Br)cc3O)C2)CCC1 ZINC000897702284 653934128 /nfs/dbraw/zinc/93/41/28/653934128.db2.gz LPILUGUTWLEHHH-QGZVFWFLSA-N 1 2 399.285 2.220 20 0 GEADLO COC(=O)C1([C@@]2(O)CCC[N@@H+](Cc3ncc(Br)cc3O)C2)CCC1 ZINC000897702284 653934130 /nfs/dbraw/zinc/93/41/30/653934130.db2.gz LPILUGUTWLEHHH-QGZVFWFLSA-N 1 2 399.285 2.220 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000795252758 653941089 /nfs/dbraw/zinc/94/10/89/653941089.db2.gz IUTSCWRXJJAMQI-OAHLLOKOSA-N 1 2 376.316 2.239 20 0 GEADLO COC(=O)c1cc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)oc1C ZINC000897977789 653946991 /nfs/dbraw/zinc/94/69/91/653946991.db2.gz KLRRJHMWKDUNQQ-CYBMUJFWSA-N 1 2 394.225 2.185 20 0 GEADLO C[C@@](CO)([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1cccc(Br)c1 ZINC000898168602 653956658 /nfs/dbraw/zinc/95/66/58/653956658.db2.gz KJRQFHZVJCMZFQ-IRXDYDNUSA-N 1 2 395.301 2.217 20 0 GEADLO CO[C@H]1C[C@@H]([N@H+](C)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000795676170 653962700 /nfs/dbraw/zinc/96/27/00/653962700.db2.gz XPVOGNUUEKWIHJ-BWACUDIHSA-N 1 2 396.285 2.283 20 0 GEADLO CO[C@H]1C[C@@H]([N@@H+](C)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000795676170 653962702 /nfs/dbraw/zinc/96/27/02/653962702.db2.gz XPVOGNUUEKWIHJ-BWACUDIHSA-N 1 2 396.285 2.283 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1CN1Cc2ccc(Br)cc2C1=O ZINC000795687333 653963027 /nfs/dbraw/zinc/96/30/27/653963027.db2.gz BOTGNXABEQWFLA-XJKSGUPXSA-N 1 2 394.313 2.157 20 0 GEADLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CN1Cc2ccc(Br)cc2C1=O ZINC000795687333 653963029 /nfs/dbraw/zinc/96/30/29/653963029.db2.gz BOTGNXABEQWFLA-XJKSGUPXSA-N 1 2 394.313 2.157 20 0 GEADLO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CN1Cc2ccc(Br)cc2C1=O ZINC000795687333 653963033 /nfs/dbraw/zinc/96/30/33/653963033.db2.gz BOTGNXABEQWFLA-XJKSGUPXSA-N 1 2 394.313 2.157 20 0 GEADLO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CC(C)(C)OC1=O ZINC000795709911 653963742 /nfs/dbraw/zinc/96/37/42/653963742.db2.gz LUQWQWJBSGEGGN-OCCSQVGLSA-N 1 2 390.249 2.354 20 0 GEADLO C[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CC(C)(C)OC1=O ZINC000795709911 653963746 /nfs/dbraw/zinc/96/37/46/653963746.db2.gz LUQWQWJBSGEGGN-OCCSQVGLSA-N 1 2 390.249 2.354 20 0 GEADLO CCc1ccc(Br)cc1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000826942902 653967384 /nfs/dbraw/zinc/96/73/84/653967384.db2.gz RODKILLJQJOTBQ-UHFFFAOYSA-N 1 2 383.286 2.190 20 0 GEADLO CCc1ccc(Br)cc1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000826942902 653967388 /nfs/dbraw/zinc/96/73/88/653967388.db2.gz RODKILLJQJOTBQ-UHFFFAOYSA-N 1 2 383.286 2.190 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ncc(Br)cn2)C1 ZINC000898392955 653968097 /nfs/dbraw/zinc/96/80/97/653968097.db2.gz ZSUKVBLYRUBXIM-LLVKDONJSA-N 1 2 379.262 2.062 20 0 GEADLO Cc1cccc(C[N@H+]2CC[C@@H](NS(=O)(=O)c3nc[nH]c3Br)C2)c1 ZINC000867650602 653968324 /nfs/dbraw/zinc/96/83/24/653968324.db2.gz HXFBZFDPECALDS-CYBMUJFWSA-N 1 2 399.314 2.033 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c(OC)c1 ZINC000827001049 653969990 /nfs/dbraw/zinc/96/99/90/653969990.db2.gz RSVGSQDRUSZNKS-LLVKDONJSA-N 1 2 385.258 2.493 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c(OC)c1 ZINC000827001049 653969993 /nfs/dbraw/zinc/96/99/93/653969993.db2.gz RSVGSQDRUSZNKS-LLVKDONJSA-N 1 2 385.258 2.493 20 0 GEADLO CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898488878 653973442 /nfs/dbraw/zinc/97/34/42/653973442.db2.gz JSPWOUYFTFSRIS-UONOGXRCSA-N 1 2 377.526 2.183 20 0 GEADLO CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898488878 653973445 /nfs/dbraw/zinc/97/34/45/653973445.db2.gz JSPWOUYFTFSRIS-UONOGXRCSA-N 1 2 377.526 2.183 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCC(C)(C)n2cc[nH+]c2)c(F)cc1Cl ZINC000867722972 653977136 /nfs/dbraw/zinc/97/71/36/653977136.db2.gz RKRCEMIUHDWXAS-UHFFFAOYSA-N 1 2 389.836 2.176 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000827157329 653978111 /nfs/dbraw/zinc/97/81/11/653978111.db2.gz ACORSKWDTKUWKH-LBPRGKRZSA-N 1 2 398.139 2.063 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC2(C(F)(F)F)CCOCC2)C1 ZINC000886401287 653980947 /nfs/dbraw/zinc/98/09/47/653980947.db2.gz WBYDLQZIWNIAFK-UHFFFAOYSA-N 1 2 378.416 2.064 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NC2(C(F)(F)F)CCOCC2)C1 ZINC000886401287 653980952 /nfs/dbraw/zinc/98/09/52/653980952.db2.gz WBYDLQZIWNIAFK-UHFFFAOYSA-N 1 2 378.416 2.064 20 0 GEADLO O=C(CC[N@@H+]1CCn2c(Br)cnc2C1)N1CCOc2ccccc21 ZINC000796045007 653983257 /nfs/dbraw/zinc/98/32/57/653983257.db2.gz XBKCLGJCGSPDOI-UHFFFAOYSA-N 1 2 391.269 2.277 20 0 GEADLO O=C(CC[N@H+]1CCn2c(Br)cnc2C1)N1CCOc2ccccc21 ZINC000796045007 653983262 /nfs/dbraw/zinc/98/32/62/653983262.db2.gz XBKCLGJCGSPDOI-UHFFFAOYSA-N 1 2 391.269 2.277 20 0 GEADLO O=S(=O)(c1cccc2scnc21)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848513533 653985692 /nfs/dbraw/zinc/98/56/92/653985692.db2.gz GVAFLYKKQKZVNB-AWEZNQCLSA-N 1 2 381.523 2.172 20 0 GEADLO CC(C)(C)n1ncc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1I ZINC000898811937 653987229 /nfs/dbraw/zinc/98/72/29/653987229.db2.gz YGTLQYFHYUHQBD-SNVBAGLBSA-N 1 2 399.236 2.314 20 0 GEADLO CC(C)n1ncc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1I ZINC000898812241 653987353 /nfs/dbraw/zinc/98/73/53/653987353.db2.gz ZZDNGCDLBQGXBQ-SNVBAGLBSA-N 1 2 385.209 2.140 20 0 GEADLO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898888037 653990957 /nfs/dbraw/zinc/99/09/57/653990957.db2.gz MYAJKPQEQNWENS-YGRLFVJLSA-N 1 2 384.249 2.350 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)COc3ccccc3Br)CC2)CC1 ZINC000827445756 653992002 /nfs/dbraw/zinc/99/20/02/653992002.db2.gz YCNXJOTXJBAYQW-UHFFFAOYSA-N 1 2 396.329 2.066 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)Cc3cccc(Br)c3)CC2)CC1 ZINC000827461867 653993297 /nfs/dbraw/zinc/99/32/97/653993297.db2.gz FWCPZRFFBMUYIZ-UHFFFAOYSA-N 1 2 380.330 2.230 20 0 GEADLO CCc1ccc(CNC(=O)C[N@@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)s1 ZINC000796292970 653995414 /nfs/dbraw/zinc/99/54/14/653995414.db2.gz ITIHBXYXFXCIAG-OAHLLOKOSA-N 1 2 378.416 2.354 20 0 GEADLO CCc1ccc(CNC(=O)C[N@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)s1 ZINC000796292970 653995418 /nfs/dbraw/zinc/99/54/18/653995418.db2.gz ITIHBXYXFXCIAG-OAHLLOKOSA-N 1 2 378.416 2.354 20 0 GEADLO O=c1[nH]ccn2c(C[NH2+][C@@H]3CCc4c3ccc(F)c4Br)nnc12 ZINC000886704695 653995685 /nfs/dbraw/zinc/99/56/85/653995685.db2.gz MRFRPDXOFMMWRY-LLVKDONJSA-N 1 2 378.205 2.096 20 0 GEADLO CCOC(=O)C1=C(C[NH2+][C@@H](C)c2ccc(Br)cn2)NC(=O)N[C@H]1C ZINC000796497939 653999067 /nfs/dbraw/zinc/99/90/67/653999067.db2.gz HNVZBCJDDSNKAG-UWVGGRQHSA-N 1 2 397.273 2.013 20 0 GEADLO Cn1c[nH+]cc1CNS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000827626096 654000916 /nfs/dbraw/zinc/00/09/16/654000916.db2.gz WQALNGJESRUOLS-UHFFFAOYSA-N 1 2 378.679 2.456 20 0 GEADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000867910804 654006556 /nfs/dbraw/zinc/00/65/56/654006556.db2.gz AYIVBGGUZOBODC-UKRRQHHQSA-N 1 2 379.258 2.309 20 0 GEADLO S=C(NCc1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000849288926 654010961 /nfs/dbraw/zinc/01/09/61/654010961.db2.gz GDNYGCPGLCZOPO-OAHLLOKOSA-N 1 2 384.343 2.230 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3cc(F)cc(Br)c3F)CC[NH2+]2)cn1 ZINC000827918341 654012861 /nfs/dbraw/zinc/01/28/61/654012861.db2.gz UGEGMFKJLYBFIZ-CYBMUJFWSA-N 1 2 385.212 2.248 20 0 GEADLO Cc1[nH]nc(Br)c1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000827933874 654013464 /nfs/dbraw/zinc/01/34/64/654013464.db2.gz BQBIJCYMGAHKLX-UHFFFAOYSA-N 1 2 379.258 2.144 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000868055570 654016360 /nfs/dbraw/zinc/01/63/60/654016360.db2.gz KYNMWGXRQTVKIL-GLZXHMCRSA-N 1 2 394.313 2.107 20 0 GEADLO CNC(=O)C1([NH2+]Cc2ncc(-c3ccccc3Br)o2)CCOCC1 ZINC000887086450 654020056 /nfs/dbraw/zinc/02/00/56/654020056.db2.gz NBNNWJAKCVQCAU-UHFFFAOYSA-N 1 2 394.269 2.489 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000868150919 654020733 /nfs/dbraw/zinc/02/07/33/654020733.db2.gz OOZFBNZJRWRWQU-IMLGJKEDSA-N 1 2 380.286 2.300 20 0 GEADLO COC[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000828104687 654022032 /nfs/dbraw/zinc/02/20/32/654022032.db2.gz ACCWEYWGBMQUOO-GIZXNFQBSA-N 1 2 383.286 2.141 20 0 GEADLO COc1cc(I)ccc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000868264805 654025842 /nfs/dbraw/zinc/02/58/42/654025842.db2.gz WJPUMYBXPBKUMY-NSHDSACASA-N 1 2 397.216 2.241 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cn2ccnc12 ZINC000868274660 654026874 /nfs/dbraw/zinc/02/68/74/654026874.db2.gz FZBGYYZIAKEGRC-TZMCWYRMSA-N 1 2 393.285 2.032 20 0 GEADLO O=C(N[C@H]1COc2cccc(Br)c2C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000868521383 654041289 /nfs/dbraw/zinc/04/12/89/654041289.db2.gz WRQVJJYTUSOYFJ-NWDGAFQWSA-N 1 2 391.269 2.263 20 0 GEADLO C[C@@]1(CCNC(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1(Cl)Cl ZINC000868675406 654049701 /nfs/dbraw/zinc/04/97/01/654049701.db2.gz LLQCHFMRSOJRMZ-MRXNPFEDSA-N 1 2 386.327 2.320 20 0 GEADLO Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1Br ZINC000828805009 654052268 /nfs/dbraw/zinc/05/22/68/654052268.db2.gz VFIAINBQIPWQMJ-WBVHZDCISA-N 1 2 397.313 2.254 20 0 GEADLO CC[C@H](c1nnc(S[C@H]2CCSC2)n1CCN1CCOCC1)[NH+](C)C ZINC000849849684 654059252 /nfs/dbraw/zinc/05/92/52/654059252.db2.gz FOBGTDVOJORKND-LSDHHAIUSA-N 1 2 385.603 2.221 20 0 GEADLO O=C(c1cc2ncc(Br)cn2n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000900542323 654069171 /nfs/dbraw/zinc/06/91/71/654069171.db2.gz TWNLXVAOJGFTGS-JTQLQIEISA-N 1 2 375.230 2.235 20 0 GEADLO Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)s1 ZINC000900800158 654081034 /nfs/dbraw/zinc/08/10/34/654081034.db2.gz BMELSXAEGRCYNL-GXTWGEPZSA-N 1 2 378.567 2.473 20 0 GEADLO Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)s1 ZINC000900800158 654081038 /nfs/dbraw/zinc/08/10/38/654081038.db2.gz BMELSXAEGRCYNL-GXTWGEPZSA-N 1 2 378.567 2.473 20 0 GEADLO O=C1N[C@H]2CC[N@@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]2CO1 ZINC000799180319 654087164 /nfs/dbraw/zinc/08/71/64/654087164.db2.gz WDQSDZRECCZFKF-SCZZXKLOSA-N 1 2 399.270 2.491 20 0 GEADLO O=C1N[C@H]2CC[N@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]2CO1 ZINC000799180319 654087170 /nfs/dbraw/zinc/08/71/70/654087170.db2.gz WDQSDZRECCZFKF-SCZZXKLOSA-N 1 2 399.270 2.491 20 0 GEADLO O=C(c1ccc(C(F)(F)Br)nc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000830035589 654094539 /nfs/dbraw/zinc/09/45/39/654094539.db2.gz OLETWTYGMDZYBF-LBPRGKRZSA-N 1 2 390.228 2.073 20 0 GEADLO S=C(NC[C@@H]1CCCO1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000916546739 654099257 /nfs/dbraw/zinc/09/92/57/654099257.db2.gz ZBCNKJGCUPIWPG-KRWDZBQOSA-N 1 2 383.945 2.390 20 0 GEADLO Cc1ccn(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n1 ZINC000830139230 654101034 /nfs/dbraw/zinc/10/10/34/654101034.db2.gz YWMOGMOEFVKHBB-UHFFFAOYSA-N 1 2 392.301 2.345 20 0 GEADLO COC(=O)c1cc(NC(=O)/C=C(\C)C[NH+]2CCOCC2)ccc1Br ZINC000901322542 654120338 /nfs/dbraw/zinc/12/03/38/654120338.db2.gz ILPKFJBEIZXQCA-FMIVXFBMSA-N 1 2 397.269 2.453 20 0 GEADLO Cc1csc(SCc2ccccc2C(=O)N2CC[NH+](CCO)CC2)n1 ZINC000917359618 654121542 /nfs/dbraw/zinc/12/15/42/654121542.db2.gz BUEDOEFXKRGNHD-UHFFFAOYSA-N 1 2 377.535 2.494 20 0 GEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)cn2ccnc12 ZINC000869983011 654136897 /nfs/dbraw/zinc/13/68/97/654136897.db2.gz QLYZWBIKPAVKLP-BETUJISGSA-N 1 2 380.242 2.117 20 0 GEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)cn2ccnc12 ZINC000869983011 654136899 /nfs/dbraw/zinc/13/68/99/654136899.db2.gz QLYZWBIKPAVKLP-BETUJISGSA-N 1 2 380.242 2.117 20 0 GEADLO C[C@@H](C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000870059907 654141515 /nfs/dbraw/zinc/14/15/15/654141515.db2.gz NRWZLAXMBWAORI-RHSMWYFYSA-N 1 2 397.313 2.112 20 0 GEADLO C/C(=C\c1ccc(Br)o1)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870056443 654141600 /nfs/dbraw/zinc/14/16/00/654141600.db2.gz IXVQOGFDFIXHPQ-VOMSXAGXSA-N 1 2 399.285 2.005 20 0 GEADLO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870070013 654141890 /nfs/dbraw/zinc/14/18/90/654141890.db2.gz OLMWDQFEEDENKK-HUUCEWRRSA-N 1 2 384.929 2.380 20 0 GEADLO C[C@@H]([NH2+]C1CC[NH+](CC(=O)[O-])CC1)c1cc2c(cc1Br)OCCO2 ZINC000902151702 654165780 /nfs/dbraw/zinc/16/57/80/654165780.db2.gz NPKFATOUYGDXSO-LLVKDONJSA-N 1 2 399.285 2.420 20 0 GEADLO COC(CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)OC ZINC000851714161 654171076 /nfs/dbraw/zinc/17/10/76/654171076.db2.gz FKGMPJHBKOJGHK-UHFFFAOYSA-N 1 2 397.324 2.309 20 0 GEADLO CC1(C)OC[C@@H](CC[NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)O1 ZINC000851715332 654171747 /nfs/dbraw/zinc/17/17/47/654171747.db2.gz QAXIMVJJKVJRDE-OAHLLOKOSA-N 1 2 388.917 2.188 20 0 GEADLO O=C1OCCN1c1cccc2c1CC[N@@H+](CCn1cnc(Br)n1)C2 ZINC000851788207 654178097 /nfs/dbraw/zinc/17/80/97/654178097.db2.gz QZMUMNWIIBBKDD-UHFFFAOYSA-N 1 2 392.257 2.056 20 0 GEADLO O=C1OCCN1c1cccc2c1CC[N@H+](CCn1cnc(Br)n1)C2 ZINC000851788207 654178099 /nfs/dbraw/zinc/17/80/99/654178099.db2.gz QZMUMNWIIBBKDD-UHFFFAOYSA-N 1 2 392.257 2.056 20 0 GEADLO Cc1cc(C)cc(-n2ccn(C[N@@H+]3CC[C@H](CS(N)(=O)=O)C3)c2=S)c1 ZINC000902522683 654181178 /nfs/dbraw/zinc/18/11/78/654181178.db2.gz GKFDBCYBSSBUIA-HNNXBMFYSA-N 1 2 380.539 2.193 20 0 GEADLO Cc1cc(C)cc(-n2ccn(C[N@H+]3CC[C@H](CS(N)(=O)=O)C3)c2=S)c1 ZINC000902522683 654181183 /nfs/dbraw/zinc/18/11/83/654181183.db2.gz GKFDBCYBSSBUIA-HNNXBMFYSA-N 1 2 380.539 2.193 20 0 GEADLO CC[C@@H](C[NH+](C)C)OC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000870549852 654181255 /nfs/dbraw/zinc/18/12/55/654181255.db2.gz IOMXCNLPSDLMLK-ZDUSSCGKSA-N 1 2 383.495 2.441 20 0 GEADLO Cc1ccc(-n2ccn(C[N@@H+]3CC[C@@H](CS(N)(=O)=O)C3)c2=S)c(C)c1 ZINC000902523794 654181786 /nfs/dbraw/zinc/18/17/86/654181786.db2.gz MOUSKTHQRTUJPG-OAHLLOKOSA-N 1 2 380.539 2.193 20 0 GEADLO Cc1ccc(-n2ccn(C[N@H+]3CC[C@@H](CS(N)(=O)=O)C3)c2=S)c(C)c1 ZINC000902523794 654181789 /nfs/dbraw/zinc/18/17/89/654181789.db2.gz MOUSKTHQRTUJPG-OAHLLOKOSA-N 1 2 380.539 2.193 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)[C@@H](C)C1 ZINC000831496037 654187661 /nfs/dbraw/zinc/18/76/61/654187661.db2.gz RDMQOUVXEGHBCW-VIFPVBQESA-N 1 2 382.711 2.212 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)[C@@H](C)C1 ZINC000831496037 654187665 /nfs/dbraw/zinc/18/76/65/654187665.db2.gz RDMQOUVXEGHBCW-VIFPVBQESA-N 1 2 382.711 2.212 20 0 GEADLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000801457933 654196197 /nfs/dbraw/zinc/19/61/97/654196197.db2.gz QTSSBJXBRMZAQZ-SWLSCSKDSA-N 1 2 388.917 2.420 20 0 GEADLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000801457933 654196200 /nfs/dbraw/zinc/19/62/00/654196200.db2.gz QTSSBJXBRMZAQZ-SWLSCSKDSA-N 1 2 388.917 2.420 20 0 GEADLO CN1CCN(c2cc[nH+]cc2NC(=O)c2cnc(Br)s2)CC1 ZINC000902813028 654199277 /nfs/dbraw/zinc/19/92/77/654199277.db2.gz OCIOMLTWSXWOBM-UHFFFAOYSA-N 1 2 382.287 2.305 20 0 GEADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920257813 654206394 /nfs/dbraw/zinc/20/63/94/654206394.db2.gz LUMBIYCMRDGYQT-LLVKDONJSA-N 1 2 388.295 2.141 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@@H+](Cc1cc(Cl)nc(Cl)c1)C[C@@H](O)CO ZINC000852180332 654224147 /nfs/dbraw/zinc/22/41/47/654224147.db2.gz SUCWRFGRQRHRIH-GFCCVEGCSA-N 1 2 394.299 2.068 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@H+](Cc1cc(Cl)nc(Cl)c1)C[C@@H](O)CO ZINC000852180332 654224150 /nfs/dbraw/zinc/22/41/50/654224150.db2.gz SUCWRFGRQRHRIH-GFCCVEGCSA-N 1 2 394.299 2.068 20 0 GEADLO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(F)cc1OC(F)F ZINC000903230060 654230337 /nfs/dbraw/zinc/23/03/37/654230337.db2.gz ULACFMIFJMWABV-SECBINFHSA-N 1 2 388.433 2.135 20 0 GEADLO C[C@H]([NH2+]Cc1ncc(Br)cn1)c1ccc(NS(C)(=O)=O)cc1 ZINC000903318897 654233850 /nfs/dbraw/zinc/23/38/50/654233850.db2.gz NKGHCZRJBCRIDX-JTQLQIEISA-N 1 2 385.287 2.461 20 0 GEADLO C/C(=C/C(=O)N[C@@](C)(CO)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000890631103 654234086 /nfs/dbraw/zinc/23/40/86/654234086.db2.gz ZRQRIKQNPIQXOL-BLSFAOBESA-N 1 2 397.313 2.051 20 0 GEADLO CO[C@@H](CS(=O)(=O)NCc1nc(C[NH+](C)C)cs1)c1ccc(F)cc1 ZINC000921078978 654234762 /nfs/dbraw/zinc/23/47/62/654234762.db2.gz AQJKQADHIWZCQJ-HNNXBMFYSA-N 1 2 387.502 2.151 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(C(F)(F)F)cn2)n1 ZINC000921083030 654234876 /nfs/dbraw/zinc/23/48/76/654234876.db2.gz MISKMJFHWPJIIO-UHFFFAOYSA-N 1 2 380.417 2.097 20 0 GEADLO Cc1cccn2cc(CCNC(=O)NCc3cn(C)nc3Br)[nH+]c12 ZINC000921169453 654237654 /nfs/dbraw/zinc/23/76/54/654237654.db2.gz ATUBQRIVTBQOJC-UHFFFAOYSA-N 1 2 391.273 2.181 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000921175040 654237943 /nfs/dbraw/zinc/23/79/43/654237943.db2.gz ULICUEUMYQYNHS-HNNXBMFYSA-N 1 2 389.949 2.313 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852436184 654239759 /nfs/dbraw/zinc/23/97/59/654239759.db2.gz XKSHHELQTXEVGK-CYBMUJFWSA-N 1 2 382.258 2.223 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852436184 654239765 /nfs/dbraw/zinc/23/97/65/654239765.db2.gz XKSHHELQTXEVGK-CYBMUJFWSA-N 1 2 382.258 2.223 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c(Br)c1 ZINC000852444707 654240751 /nfs/dbraw/zinc/24/07/51/654240751.db2.gz XAGAEBWDHCHHFC-ZDUSSCGKSA-N 1 2 383.242 2.262 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c(Br)c1 ZINC000852444707 654240753 /nfs/dbraw/zinc/24/07/53/654240753.db2.gz XAGAEBWDHCHHFC-ZDUSSCGKSA-N 1 2 383.242 2.262 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2cncc(Br)c2)CC1 ZINC000871541174 654242076 /nfs/dbraw/zinc/24/20/76/654242076.db2.gz KXWIREZCPXDJHG-UHFFFAOYSA-N 1 2 398.301 2.380 20 0 GEADLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2CCn1cnc(Br)n1 ZINC000852526826 654245600 /nfs/dbraw/zinc/24/56/00/654245600.db2.gz AEXATRFJJWMQFC-UHFFFAOYSA-N 1 2 386.294 2.030 20 0 GEADLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2CCn1cnc(Br)n1 ZINC000852526826 654245609 /nfs/dbraw/zinc/24/56/09/654245609.db2.gz AEXATRFJJWMQFC-UHFFFAOYSA-N 1 2 386.294 2.030 20 0 GEADLO Ic1cnnn1C1CC[NH+](CCc2cscn2)CC1 ZINC000852532799 654246668 /nfs/dbraw/zinc/24/66/68/654246668.db2.gz QIHOSELSPVCDDR-UHFFFAOYSA-N 1 2 389.266 2.219 20 0 GEADLO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@H](CC(F)(F)F)O1 ZINC000852740899 654258380 /nfs/dbraw/zinc/25/83/80/654258380.db2.gz FKDBYGDSBAAUOB-ZJUUUORDSA-N 1 2 379.404 2.217 20 0 GEADLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@H](CC(F)(F)F)O1 ZINC000852740899 654258382 /nfs/dbraw/zinc/25/83/82/654258382.db2.gz FKDBYGDSBAAUOB-ZJUUUORDSA-N 1 2 379.404 2.217 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c2cc(F)ccc2C[NH2+]1 ZINC000871806174 654261200 /nfs/dbraw/zinc/26/12/00/654261200.db2.gz XTQQMINRFLYVES-QVQLBTGDSA-N 1 2 377.507 2.265 20 0 GEADLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)CC1 ZINC000832524110 654271648 /nfs/dbraw/zinc/27/16/48/654271648.db2.gz LGJIIYWKKJZGAP-CYBMUJFWSA-N 1 2 387.933 2.147 20 0 GEADLO c1ccc(C[N@@H+]2CCO[C@H](c3nnn(CCC4SCCS4)n3)C2)cc1 ZINC000853017049 654272253 /nfs/dbraw/zinc/27/22/53/654272253.db2.gz AKJWUEYUGUGYEG-HNNXBMFYSA-N 1 2 377.539 2.443 20 0 GEADLO c1ccc(C[N@H+]2CCO[C@H](c3nnn(CCC4SCCS4)n3)C2)cc1 ZINC000853017049 654272257 /nfs/dbraw/zinc/27/22/57/654272257.db2.gz AKJWUEYUGUGYEG-HNNXBMFYSA-N 1 2 377.539 2.443 20 0 GEADLO C[C@@H]1CN(C(=O)C(F)(F)c2ccc(Br)cc2)CC[N@@H+]1CCO ZINC000832548208 654273788 /nfs/dbraw/zinc/27/37/88/654273788.db2.gz SESVIDVSODJDIE-LLVKDONJSA-N 1 2 377.229 2.066 20 0 GEADLO C[C@@H]1CN(C(=O)C(F)(F)c2ccc(Br)cc2)CC[N@H+]1CCO ZINC000832548208 654273792 /nfs/dbraw/zinc/27/37/92/654273792.db2.gz SESVIDVSODJDIE-LLVKDONJSA-N 1 2 377.229 2.066 20 0 GEADLO O=C(Nc1c(F)cccc1Br)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000903824645 654284137 /nfs/dbraw/zinc/28/41/37/654284137.db2.gz SRDLYHJQMUZPPF-RISCZKNCSA-N 1 2 387.249 2.407 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N[C@@H](CO)c1ccccc1I ZINC000891326373 654287375 /nfs/dbraw/zinc/28/73/75/654287375.db2.gz UXGCFWQQJLAHKA-AWEZNQCLSA-N 1 2 399.232 2.118 20 0 GEADLO COC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(Br)c1 ZINC000832766070 654294050 /nfs/dbraw/zinc/29/40/50/654294050.db2.gz ZRWHOKFSIOFPNH-CHWSQXEVSA-N 1 2 392.253 2.389 20 0 GEADLO O=C1c2cc(Cl)c(Cl)cc2C(=O)N1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000853523340 654300370 /nfs/dbraw/zinc/30/03/70/654300370.db2.gz UGIMLSYOHZBKGQ-JTQLQIEISA-N 1 2 380.235 2.161 20 0 GEADLO O=C1c2cc(Cl)c(Cl)cc2C(=O)N1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000853523340 654300377 /nfs/dbraw/zinc/30/03/77/654300377.db2.gz UGIMLSYOHZBKGQ-JTQLQIEISA-N 1 2 380.235 2.161 20 0 GEADLO CCOC(=O)c1cn(Cc2c[nH+]ccc2OC)nc1I ZINC000853707095 654316383 /nfs/dbraw/zinc/31/63/83/654316383.db2.gz BLTDRZYJDJGVKW-UHFFFAOYSA-N 1 2 387.177 2.116 20 0 GEADLO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC000834330802 654317302 /nfs/dbraw/zinc/31/73/02/654317302.db2.gz FHEMPBFZHWTHMV-UHFFFAOYSA-N 1 2 380.242 2.307 20 0 GEADLO Cc1nc(NCCS(=O)(=O)CC(F)(F)F)c(Br)c(C)[nH+]1 ZINC000853817347 654322891 /nfs/dbraw/zinc/32/28/91/654322891.db2.gz UFOYXBHJQKTSOF-UHFFFAOYSA-N 1 2 376.198 2.245 20 0 GEADLO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3nc(Br)c[nH]3)C2=O)c1 ZINC000921809814 654326076 /nfs/dbraw/zinc/32/60/76/654326076.db2.gz KYCPEYNSHGRPQL-CYBMUJFWSA-N 1 2 395.257 2.085 20 0 GEADLO CCOC1CC(CNC(=O)CC[C@@H]2CC2(Cl)Cl)([NH+]2CCOCC2)C1 ZINC000834548358 654333459 /nfs/dbraw/zinc/33/34/59/654333459.db2.gz QGTYMDITBGAZPB-VQCLRJIVSA-N 1 2 379.328 2.347 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCSCc1ccnc(Cl)c1 ZINC000853985866 654334784 /nfs/dbraw/zinc/33/47/84/654334784.db2.gz QZJZUQNMMDYMSC-KGLIPLIRSA-N 1 2 386.949 2.377 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCSCc1ccnc(Cl)c1 ZINC000853985866 654334793 /nfs/dbraw/zinc/33/47/93/654334793.db2.gz QZJZUQNMMDYMSC-KGLIPLIRSA-N 1 2 386.949 2.377 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2C)CC[N@@H+]1CCOC ZINC000805051586 654341711 /nfs/dbraw/zinc/34/17/11/654341711.db2.gz MIEKFCDVEVYJPT-CQSZACIVSA-N 1 2 375.922 2.165 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2C)CC[N@H+]1CCOC ZINC000805051586 654341715 /nfs/dbraw/zinc/34/17/15/654341715.db2.gz MIEKFCDVEVYJPT-CQSZACIVSA-N 1 2 375.922 2.165 20 0 GEADLO Cc1ccc(CNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c(N2CCCC2)[nH+]1 ZINC000872469900 654347652 /nfs/dbraw/zinc/34/76/52/654347652.db2.gz BHHMMPIDLMNTCC-XMMPIXPASA-N 1 2 388.559 2.221 20 0 GEADLO C[C@H](NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000872477173 654349770 /nfs/dbraw/zinc/34/97/70/654349770.db2.gz FSHXUJYTAVEBFP-OWOHRZCZSA-N 1 2 375.560 2.409 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nc(Cl)nc3sccc32)CC1 ZINC000872479565 654350858 /nfs/dbraw/zinc/35/08/58/654350858.db2.gz OLJBFJZIVHBCMS-GFCCVEGCSA-N 1 2 379.917 2.478 20 0 GEADLO Cc1cc(CNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)cc(N2CCCC2)[nH+]1 ZINC000872489437 654354220 /nfs/dbraw/zinc/35/42/20/654354220.db2.gz URSGUOSFQSJOLQ-DEOSSOPVSA-N 1 2 388.559 2.221 20 0 GEADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000922166601 654373132 /nfs/dbraw/zinc/37/31/32/654373132.db2.gz GQDQTHPLPVRFHE-RKDXNWHRSA-N 1 2 397.111 2.322 20 0 GEADLO O=S(=O)(C[C@@H](O)C[NH2+]Cc1csc(C(F)(F)F)n1)c1cccs1 ZINC000893180326 654387414 /nfs/dbraw/zinc/38/74/14/654387414.db2.gz DNQFKVYCJOIKLY-VIFPVBQESA-N 1 2 386.442 2.148 20 0 GEADLO CCN(C(=O)C[NH2+]Cc1cn(C)nc1I)c1ccccc1 ZINC000922475638 654396700 /nfs/dbraw/zinc/39/67/00/654396700.db2.gz XJVVCHWUVUFWBS-UHFFFAOYSA-N 1 2 398.248 2.167 20 0 GEADLO C[C@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000893380534 654399114 /nfs/dbraw/zinc/39/91/14/654399114.db2.gz RXYZOBJEWXXLDA-JQWIXIFHSA-N 1 2 399.314 2.147 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000893380535 654399240 /nfs/dbraw/zinc/39/92/40/654399240.db2.gz RXYZOBJEWXXLDA-PWSUYJOCSA-N 1 2 399.314 2.147 20 0 GEADLO C[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000872848605 654400421 /nfs/dbraw/zinc/40/04/21/654400421.db2.gz HYRMSUACZXAXSU-HUUCEWRRSA-N 1 2 381.464 2.178 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)NCc1ncc(Cl)s1 ZINC000872916518 654405227 /nfs/dbraw/zinc/40/52/27/654405227.db2.gz YAURZVAFJZOTSU-UHFFFAOYSA-N 1 2 383.905 2.110 20 0 GEADLO Cn1nc(Br)nc1CNc1ccccc1OCCn1cc[nH+]c1 ZINC000894121714 654448528 /nfs/dbraw/zinc/44/85/28/654448528.db2.gz GAGXUTXIZJHPNR-UHFFFAOYSA-N 1 2 377.246 2.465 20 0 GEADLO COc1ccc(C[NH2+]Cc2cn(C)nc2I)cc1OC ZINC000894146279 654450211 /nfs/dbraw/zinc/45/02/11/654450211.db2.gz SHQFUJNEBDCZEJ-UHFFFAOYSA-N 1 2 387.221 2.332 20 0 GEADLO Brc1cccc(-n2ncc3c2nc[nH+]c3NC[C@H]2COCO2)c1 ZINC000894178362 654453341 /nfs/dbraw/zinc/45/33/41/654453341.db2.gz MGCWCNDUGXATOW-LBPRGKRZSA-N 1 2 376.214 2.363 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906704219 654462920 /nfs/dbraw/zinc/46/29/20/654462920.db2.gz GQEVRDLQQBYVGR-DGCLKSJQSA-N 1 2 380.703 2.408 20 0 GEADLO COc1ccc2[nH+]cc(Cl)c(N3CCO[C@]4(CCS(=O)(=O)C4)C3)c2c1 ZINC000894350427 654468030 /nfs/dbraw/zinc/46/80/30/654468030.db2.gz PWCYKMDLPQGRNM-QGZVFWFLSA-N 1 2 382.869 2.291 20 0 GEADLO Cn1ncc(I)c1C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000894359286 654469404 /nfs/dbraw/zinc/46/94/04/654469404.db2.gz NIVURPGWTZGDTL-UHFFFAOYSA-N 1 2 392.285 2.055 20 0 GEADLO Cn1nc(Br)nc1C[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000894363681 654469841 /nfs/dbraw/zinc/46/98/41/654469841.db2.gz GSKVTNMPPIVAHR-NSHDSACASA-N 1 2 382.237 2.002 20 0 GEADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)C[C@H]2CSCCS2)C1 ZINC000856329008 654476769 /nfs/dbraw/zinc/47/67/69/654476769.db2.gz XAQORLAUAVGERS-ROUUACIJSA-N 1 2 379.595 2.158 20 0 GEADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)C[C@H]2CSCCS2)C1 ZINC000856329008 654476772 /nfs/dbraw/zinc/47/67/72/654476772.db2.gz XAQORLAUAVGERS-ROUUACIJSA-N 1 2 379.595 2.158 20 0 GEADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)C[C@@H]2CSCCS2)C1 ZINC000856329007 654477026 /nfs/dbraw/zinc/47/70/26/654477026.db2.gz XAQORLAUAVGERS-QZTJIDSGSA-N 1 2 379.595 2.158 20 0 GEADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)C[C@@H]2CSCCS2)C1 ZINC000856329007 654477029 /nfs/dbraw/zinc/47/70/29/654477029.db2.gz XAQORLAUAVGERS-QZTJIDSGSA-N 1 2 379.595 2.158 20 0 GEADLO Cn1ncc(I)c1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000894533520 654483622 /nfs/dbraw/zinc/48/36/22/654483622.db2.gz OADXYHGWQCWWKU-CQSZACIVSA-N 1 2 375.254 2.416 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3ccc(Br)cn3)C2)n1 ZINC000856595864 654485125 /nfs/dbraw/zinc/48/51/25/654485125.db2.gz LTNRNPYZGOKUGD-INIZCTEOSA-N 1 2 381.274 2.359 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3ccc(Br)cn3)C2)n1 ZINC000856595864 654485131 /nfs/dbraw/zinc/48/51/31/654485131.db2.gz LTNRNPYZGOKUGD-INIZCTEOSA-N 1 2 381.274 2.359 20 0 GEADLO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]([NH2+]Cc2c[nH]cn2)C1 ZINC000894554253 654486030 /nfs/dbraw/zinc/48/60/30/654486030.db2.gz WAFZJXQSUHYYDR-CYBMUJFWSA-N 1 2 399.314 2.115 20 0 GEADLO O=C(C[C@@H](O)C(Cl)(Cl)Cl)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000906914879 654486924 /nfs/dbraw/zinc/48/69/24/654486924.db2.gz XXIBRFAVUAALNX-CYBMUJFWSA-N 1 2 381.687 2.158 20 0 GEADLO CC1(C)C[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C[C@]2(CCOC2)O1 ZINC000894628740 654491704 /nfs/dbraw/zinc/49/17/04/654491704.db2.gz HGXZGPNQJQLCCH-KRWDZBQOSA-N 1 2 387.933 2.403 20 0 GEADLO CC1(C)C[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C[C@]2(CCOC2)O1 ZINC000894628740 654491709 /nfs/dbraw/zinc/49/17/09/654491709.db2.gz HGXZGPNQJQLCCH-KRWDZBQOSA-N 1 2 387.933 2.403 20 0 GEADLO Cn1c[nH+]cc1Cc1noc(C[C@H]2C(=O)Nc3ccc(Br)cc32)n1 ZINC000923962540 654494133 /nfs/dbraw/zinc/49/41/33/654494133.db2.gz ORDBTYUMXBWAOF-GFCCVEGCSA-N 1 2 388.225 2.435 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000894773446 654498449 /nfs/dbraw/zinc/49/84/49/654498449.db2.gz HSDOMOHENPIGQT-VHSXEESVSA-N 1 2 396.289 2.240 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000907070360 654506962 /nfs/dbraw/zinc/50/69/62/654506962.db2.gz WUVBKOVCVTVSCF-LLVKDONJSA-N 1 2 382.675 2.286 20 0 GEADLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1ncc(Br)cn1 ZINC000924377040 654511512 /nfs/dbraw/zinc/51/15/12/654511512.db2.gz INBWOFVLYZUZMN-UHFFFAOYSA-N 1 2 392.253 2.428 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)oc1Cl ZINC000907154836 654515725 /nfs/dbraw/zinc/51/57/25/654515725.db2.gz GREYTALQJZVMTL-NSHDSACASA-N 1 2 376.862 2.015 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)oc1Cl ZINC000907154836 654515729 /nfs/dbraw/zinc/51/57/29/654515729.db2.gz GREYTALQJZVMTL-NSHDSACASA-N 1 2 376.862 2.015 20 0 GEADLO Cn1cc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)c(Br)n1 ZINC000924548964 654516922 /nfs/dbraw/zinc/51/69/22/654516922.db2.gz CXCFCVQUBMPTGD-UHFFFAOYSA-N 1 2 398.330 2.272 20 0 GEADLO Cn1cc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(Br)n1 ZINC000924563377 654519327 /nfs/dbraw/zinc/51/93/27/654519327.db2.gz KYMHJTJHMZRSQT-NSHDSACASA-N 1 2 381.278 2.005 20 0 GEADLO CC[C@H]1CN(C(=O)NCc2nc(C[NH+](C)C)cs2)CCN1CC(F)F ZINC000924776485 654524253 /nfs/dbraw/zinc/52/42/53/654524253.db2.gz JRIXCUGZKDPGGS-ZDUSSCGKSA-N 1 2 375.489 2.076 20 0 GEADLO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1nc(Br)ccc1F ZINC000924832362 654525674 /nfs/dbraw/zinc/52/56/74/654525674.db2.gz HITRJQHEFUBSCZ-VIFPVBQESA-N 1 2 382.299 2.352 20 0 GEADLO C/C(=C/C(=O)N[C@@H](CCO)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000907291457 654528194 /nfs/dbraw/zinc/52/81/94/654528194.db2.gz JZNDSOFQXXYTCN-AINHQSCGSA-N 1 2 397.313 2.267 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000925599374 654546682 /nfs/dbraw/zinc/54/66/82/654546682.db2.gz ADLLLYXHJJSOHI-LLVKDONJSA-N 1 2 380.436 2.414 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000926001728 654555888 /nfs/dbraw/zinc/55/58/88/654555888.db2.gz UYEZSEOHIBFWRP-HWRSSNJWSA-N 1 2 375.535 2.398 20 0 GEADLO C[C@H](CC(=O)NCc1nc(C[NH+](C)C)cs1)n1cc(Br)cn1 ZINC000927763505 654612606 /nfs/dbraw/zinc/61/26/06/654612606.db2.gz GXNQQMNWAMDXLX-SNVBAGLBSA-N 1 2 386.319 2.431 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)[C@@H]2CSC(c3ccccc3O)=N2)n1 ZINC000927763403 654612666 /nfs/dbraw/zinc/61/26/66/654612666.db2.gz HGBIYQLGIGUZMK-ZDUSSCGKSA-N 1 2 376.507 2.089 20 0 GEADLO CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2nc(C[NH+](C)C)cs2)c1 ZINC000927768904 654612922 /nfs/dbraw/zinc/61/29/22/654612922.db2.gz XAWABBHUHHWLOY-UHFFFAOYSA-N 1 2 385.486 2.067 20 0 GEADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928356891 654642613 /nfs/dbraw/zinc/64/26/13/654642613.db2.gz GIUDSWYFLAXHGU-WCQYABFASA-N 1 2 376.258 2.362 20 0 GEADLO CO[C@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)s1 ZINC000909024885 654650405 /nfs/dbraw/zinc/65/04/05/654650405.db2.gz MXCWLQZCFKEZKZ-WDMOLILDSA-N 1 2 389.315 2.178 20 0 GEADLO CO[C@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)s1 ZINC000909024885 654650408 /nfs/dbraw/zinc/65/04/08/654650408.db2.gz MXCWLQZCFKEZKZ-WDMOLILDSA-N 1 2 389.315 2.178 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000928645989 654654158 /nfs/dbraw/zinc/65/41/58/654654158.db2.gz FSQWLBXJQIYVEK-OAHLLOKOSA-N 1 2 393.285 2.233 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cnn(C(C)(C)C)c1Br ZINC000928650851 654654428 /nfs/dbraw/zinc/65/44/28/654654428.db2.gz OBRKESRDJMWTSS-LBPRGKRZSA-N 1 2 387.322 2.241 20 0 GEADLO COCc1c(Br)cccc1NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000930085438 654699118 /nfs/dbraw/zinc/69/91/18/654699118.db2.gz JXQDEZWCTAJFBL-LBPRGKRZSA-N 1 2 386.290 2.438 20 0 GEADLO COCc1c(Br)cccc1NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000930085438 654699119 /nfs/dbraw/zinc/69/91/19/654699119.db2.gz JXQDEZWCTAJFBL-LBPRGKRZSA-N 1 2 386.290 2.438 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)C/C=C/c2ccc(Br)cc2)CC1 ZINC000930242053 654702946 /nfs/dbraw/zinc/70/29/46/654702946.db2.gz OSZJGCDKZWMCPZ-NSCUHMNNSA-N 1 2 394.313 2.133 20 0 GEADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](CCSc1ccncc1)C2 ZINC000930366784 654707300 /nfs/dbraw/zinc/70/73/00/654707300.db2.gz HFEPFFRRSXWHIG-UHFFFAOYSA-N 1 2 377.535 2.482 20 0 GEADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](CCSc1ccncc1)C2 ZINC000930366784 654707305 /nfs/dbraw/zinc/70/73/05/654707305.db2.gz HFEPFFRRSXWHIG-UHFFFAOYSA-N 1 2 377.535 2.482 20 0 GEADLO COC(=O)c1cc(Br)c(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1OC ZINC000930564134 654713853 /nfs/dbraw/zinc/71/38/53/654713853.db2.gz JTFWXMZIJQFNJZ-GFCCVEGCSA-N 1 2 399.285 2.297 20 0 GEADLO COC(=O)c1cc(Br)c(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1OC ZINC000930564134 654713854 /nfs/dbraw/zinc/71/38/54/654713854.db2.gz JTFWXMZIJQFNJZ-GFCCVEGCSA-N 1 2 399.285 2.297 20 0 GEADLO CN1CC[NH+](Cc2cccc(NC(=O)c3ncc(Br)cn3)c2)CC1 ZINC000930624778 654715434 /nfs/dbraw/zinc/71/54/34/654715434.db2.gz AKSAECPHRFOLEY-UHFFFAOYSA-N 1 2 390.285 2.239 20 0 GEADLO Cc1cc(C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)cnc1Br ZINC000930759229 654719097 /nfs/dbraw/zinc/71/90/97/654719097.db2.gz KZAJHEDLZZZFFW-UHFFFAOYSA-N 1 2 397.317 2.159 20 0 GEADLO C[NH+](C)Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)[O-])C2)cc1Br ZINC000911491629 654724722 /nfs/dbraw/zinc/72/47/22/654724722.db2.gz ODTLJZYIAQQSAV-ZDUSSCGKSA-N 1 2 398.301 2.246 20 0 GEADLO C[NH+](C)Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1Br ZINC000911491629 654724725 /nfs/dbraw/zinc/72/47/25/654724725.db2.gz ODTLJZYIAQQSAV-ZDUSSCGKSA-N 1 2 398.301 2.246 20 0 GEADLO Cc1nc2c(c(=O)[nH]1)C[N@H+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000931320791 654738373 /nfs/dbraw/zinc/73/83/73/654738373.db2.gz SYSFAXCCJSQBRM-LBPRGKRZSA-N 1 2 380.242 2.009 20 0 GEADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000931320791 654738374 /nfs/dbraw/zinc/73/83/74/654738374.db2.gz SYSFAXCCJSQBRM-LBPRGKRZSA-N 1 2 380.242 2.009 20 0 GEADLO [NH3+][C@H](CC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)C(F)F ZINC000912235255 654747317 /nfs/dbraw/zinc/74/73/17/654747317.db2.gz VMGTXZHPDOFTLH-GFCCVEGCSA-N 1 2 380.222 2.260 20 0 GEADLO Cc1csc([C@H](NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C(F)(F)F)n1 ZINC000931580162 654747644 /nfs/dbraw/zinc/74/76/44/654747644.db2.gz ZIXWJPRNVRWKIA-RYUDHWBXSA-N 1 2 380.436 2.417 20 0 GEADLO C/C(=C/C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1)C[NH+]1CCOCC1 ZINC000912305789 654749656 /nfs/dbraw/zinc/74/96/56/654749656.db2.gz ZSKTXAVYYDKAIZ-XFFZJAGNSA-N 1 2 381.889 2.414 20 0 GEADLO COc1ccc(C[N@@H+]2CCC(OC)(OC)[C@@H](O)C2)c(Br)c1OC ZINC000931641618 654750338 /nfs/dbraw/zinc/75/03/38/654750338.db2.gz ZZOKTNAYWBSTHG-ZDUSSCGKSA-N 1 2 390.274 2.022 20 0 GEADLO COc1ccc(C[N@H+]2CCC(OC)(OC)[C@@H](O)C2)c(Br)c1OC ZINC000931641618 654750339 /nfs/dbraw/zinc/75/03/39/654750339.db2.gz ZZOKTNAYWBSTHG-ZDUSSCGKSA-N 1 2 390.274 2.022 20 0 GEADLO CN(Cc1ccccc1Cl)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931658574 654751420 /nfs/dbraw/zinc/75/14/20/654751420.db2.gz NKROGNVANKZXGD-UHFFFAOYSA-N 1 2 380.901 2.133 20 0 GEADLO COc1ncc(NC(=O)/C=C(\C)C[NH+]2CCOCC2)c(C)c1Br ZINC000912395876 654752416 /nfs/dbraw/zinc/75/24/16/654752416.db2.gz LSRYLWWCOVMBCF-DHZHZOJOSA-N 1 2 384.274 2.378 20 0 GEADLO COC(=O)C[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)c1ccc(Br)cc1 ZINC000912455699 654754583 /nfs/dbraw/zinc/75/45/83/654754583.db2.gz XPBZYQILONAGEV-WDEREUQCSA-N 1 2 379.201 2.152 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000931798763 654757420 /nfs/dbraw/zinc/75/74/20/654757420.db2.gz FXHHQPAVVBAPQU-SNVBAGLBSA-N 1 2 383.802 2.331 20 0 GEADLO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ncc(Br)cn1 ZINC000931870199 654759655 /nfs/dbraw/zinc/75/96/55/654759655.db2.gz DMQZHHVJRXIWMA-UHFFFAOYSA-N 1 2 389.253 2.357 20 0 GEADLO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ncc(Br)cn1 ZINC000931870199 654759657 /nfs/dbraw/zinc/75/96/57/654759657.db2.gz DMQZHHVJRXIWMA-UHFFFAOYSA-N 1 2 389.253 2.357 20 0 GEADLO C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ncc(Br)cn1 ZINC000931871947 654760161 /nfs/dbraw/zinc/76/01/61/654760161.db2.gz TXLUFYZPRWLAAX-UHFFFAOYSA-N 1 2 392.257 2.409 20 0 GEADLO C[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ncc(Br)cn1 ZINC000931871947 654760164 /nfs/dbraw/zinc/76/01/64/654760164.db2.gz TXLUFYZPRWLAAX-UHFFFAOYSA-N 1 2 392.257 2.409 20 0 GEADLO C[C@]1([C@@H]2CCC[N@@H+]([C@H](C(N)=O)c3cccc(Br)c3)C2)COC(=O)N1 ZINC000932018619 654764162 /nfs/dbraw/zinc/76/41/62/654764162.db2.gz BAINLYXOZSXUHF-HACGYAERSA-N 1 2 396.285 2.186 20 0 GEADLO C[C@]1([C@@H]2CCC[N@H+]([C@H](C(N)=O)c3cccc(Br)c3)C2)COC(=O)N1 ZINC000932018619 654764164 /nfs/dbraw/zinc/76/41/64/654764164.db2.gz BAINLYXOZSXUHF-HACGYAERSA-N 1 2 396.285 2.186 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)c2nccnc2c1)[C@H](C)[NH+]1CCOCC1 ZINC000932053777 654764805 /nfs/dbraw/zinc/76/48/05/654764805.db2.gz DWPKOLZZDJGOCL-RYUDHWBXSA-N 1 2 393.285 2.231 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000932087933 654766479 /nfs/dbraw/zinc/76/64/79/654766479.db2.gz RYBIAYSTOWIRAL-VIFPVBQESA-N 1 2 383.802 2.277 20 0 GEADLO Cn1ccc(C2CC[NH+](Cc3c(I)cnn3C)CC2)n1 ZINC000932141210 654768168 /nfs/dbraw/zinc/76/81/68/654768168.db2.gz HSFUIAPYEZMJSN-UHFFFAOYSA-N 1 2 385.253 2.138 20 0 GEADLO NS(=O)(=O)c1cc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)co1 ZINC000932204773 654770181 /nfs/dbraw/zinc/77/01/81/654770181.db2.gz FHYVKKCJFFUOAR-LBPRGKRZSA-N 1 2 387.255 2.303 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932253141 654772832 /nfs/dbraw/zinc/77/28/32/654772832.db2.gz WOXHAPUPVLMRFL-AWEZNQCLSA-N 1 2 376.320 2.310 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932253141 654772834 /nfs/dbraw/zinc/77/28/34/654772834.db2.gz WOXHAPUPVLMRFL-AWEZNQCLSA-N 1 2 376.320 2.310 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000932660954 654784628 /nfs/dbraw/zinc/78/46/28/654784628.db2.gz UESAORHHHVAXOY-NWDGAFQWSA-N 1 2 379.507 2.485 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@H+]([C@@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000932660954 654784629 /nfs/dbraw/zinc/78/46/29/654784629.db2.gz UESAORHHHVAXOY-NWDGAFQWSA-N 1 2 379.507 2.485 20 0 GEADLO O=C(C[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)Nc1cccnn1 ZINC000932815485 654791821 /nfs/dbraw/zinc/79/18/21/654791821.db2.gz NIAUYSQPQZVSIC-QGZVFWFLSA-N 1 2 391.269 2.161 20 0 GEADLO O=C(C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)Nc1cccnn1 ZINC000932815485 654791823 /nfs/dbraw/zinc/79/18/23/654791823.db2.gz NIAUYSQPQZVSIC-QGZVFWFLSA-N 1 2 391.269 2.161 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913447543 654792442 /nfs/dbraw/zinc/79/24/42/654792442.db2.gz MNANTYFWBKVNHC-BXUZGUMPSA-N 1 2 379.258 2.113 20 0 GEADLO O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913448032 654792590 /nfs/dbraw/zinc/79/25/90/654792590.db2.gz WYZCRYFRUYHRPG-INIZCTEOSA-N 1 2 388.269 2.369 20 0 GEADLO O=C(c1ccc(C(F)(F)Br)nc1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913454896 654792850 /nfs/dbraw/zinc/79/28/50/654792850.db2.gz BYIDDARQWKSPRQ-LLVKDONJSA-N 1 2 386.200 2.036 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)C(F)(F)c3ccc(Br)cc3)CC[NH2+]2)cn1 ZINC000913456810 654793130 /nfs/dbraw/zinc/79/31/30/654793130.db2.gz SWELITBJGRDWMQ-CQSZACIVSA-N 1 2 399.239 2.448 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(Br)[nH]c2=O)CC1 ZINC000932879942 654793457 /nfs/dbraw/zinc/79/34/57/654793457.db2.gz KSMLSRMKQBFJEM-GFCCVEGCSA-N 1 2 391.269 2.464 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CC[NH2+]2)cn1 ZINC000913460043 654793728 /nfs/dbraw/zinc/79/37/28/654793728.db2.gz KTRQIQOFLHCOIW-GVDBMIGSSA-N 1 2 389.297 2.459 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913460837 654793773 /nfs/dbraw/zinc/79/37/73/654793773.db2.gz OKSZSSNGZOAQGJ-LLVKDONJSA-N 1 2 387.481 2.215 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)Cc3ccc(F)cc3Br)CC[NH2+]2)cn1 ZINC000913462547 654793891 /nfs/dbraw/zinc/79/38/91/654793891.db2.gz JUOMDQWXZPFVGU-HNNXBMFYSA-N 1 2 381.249 2.037 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3cc4c(cccc4Br)[nH]3)CC[NH2+]2)cn1 ZINC000913467864 654794310 /nfs/dbraw/zinc/79/43/10/654794310.db2.gz HVBNVTRNIJPMLX-INIZCTEOSA-N 1 2 388.269 2.451 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC[NH2+]2)cn1 ZINC000913473727 654794576 /nfs/dbraw/zinc/79/45/76/654794576.db2.gz VPGKYKQPTWBUSV-MRXNPFEDSA-N 1 2 388.269 2.451 20 0 GEADLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000913507866 654796732 /nfs/dbraw/zinc/79/67/32/654796732.db2.gz UEKUWQUEEZBGSX-AWEZNQCLSA-N 1 2 380.286 2.262 20 0 GEADLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000913507866 654796735 /nfs/dbraw/zinc/79/67/35/654796735.db2.gz UEKUWQUEEZBGSX-AWEZNQCLSA-N 1 2 380.286 2.262 20 0 GEADLO O=C(c1cc(Br)c(F)cc1O)N1CC[NH+](CCCCCO)CC1 ZINC000913694333 654804589 /nfs/dbraw/zinc/80/45/89/654804589.db2.gz LDJJNERUCBYFHG-UHFFFAOYSA-N 1 2 389.265 2.214 20 0 GEADLO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1nnc(-c2ccc(Br)o2)o1 ZINC000933291969 654806617 /nfs/dbraw/zinc/80/66/17/654806617.db2.gz CFXISIFKTJMJMB-GFCCVEGCSA-N 1 2 383.246 2.487 20 0 GEADLO C[C@H](CNC(=O)[C@@](C)(O)c1ccc(F)c(Br)c1)Cn1cc[nH+]c1 ZINC000933299909 654807123 /nfs/dbraw/zinc/80/71/23/654807123.db2.gz XLVBUHSHFRMVNU-BZNIZROVSA-N 1 2 384.249 2.445 20 0 GEADLO C/C(=C\C(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)C[NH+]1CCOCC1 ZINC000913768234 654808687 /nfs/dbraw/zinc/80/86/87/654808687.db2.gz YVAPXYAMOJLPPR-KGVYXNJDSA-N 1 2 391.309 2.482 20 0 GEADLO C[C@@H](NC(=O)c1nccc2c(Br)cccc21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000933387854 654811260 /nfs/dbraw/zinc/81/12/60/654811260.db2.gz PNOQWABNBDMNIY-WBMJQRKESA-N 1 2 391.313 2.361 20 0 GEADLO C[C@@H](NC(=O)c1nccc2c(Br)cccc21)[C@@H]1CN(C)CC[N@H+]1C ZINC000933387854 654811261 /nfs/dbraw/zinc/81/12/61/654811261.db2.gz PNOQWABNBDMNIY-WBMJQRKESA-N 1 2 391.313 2.361 20 0 GEADLO CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000933639038 654818797 /nfs/dbraw/zinc/81/87/97/654818797.db2.gz RUGGOSVMEUWRHC-INIZCTEOSA-N 1 2 384.929 2.359 20 0 GEADLO CS(=O)(=O)CC1(C[N@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000933639038 654818799 /nfs/dbraw/zinc/81/87/99/654818799.db2.gz RUGGOSVMEUWRHC-INIZCTEOSA-N 1 2 384.929 2.359 20 0 GEADLO O=C(c1cnn2cccc(Br)c12)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000933661738 654819388 /nfs/dbraw/zinc/81/93/88/654819388.db2.gz VJEWPEMJATZVOR-ZDUSSCGKSA-N 1 2 393.285 2.034 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000913969577 654819529 /nfs/dbraw/zinc/81/95/29/654819529.db2.gz WWXNRSKTSQETKA-VIFPVBQESA-N 1 2 393.278 2.112 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1F ZINC000913969577 654819531 /nfs/dbraw/zinc/81/95/31/654819531.db2.gz WWXNRSKTSQETKA-VIFPVBQESA-N 1 2 393.278 2.112 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700963 654820830 /nfs/dbraw/zinc/82/08/30/654820830.db2.gz UZIWODBXXSZACJ-VWYCJHECSA-N 1 2 394.324 2.177 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700963 654820833 /nfs/dbraw/zinc/82/08/33/654820833.db2.gz UZIWODBXXSZACJ-VWYCJHECSA-N 1 2 394.324 2.177 20 0 GEADLO Cn1cc([C@H]2CSCCC[N@@H+]2C[C@H](O)c2cc(Br)no2)cn1 ZINC000933973228 654832297 /nfs/dbraw/zinc/83/22/97/654832297.db2.gz IZXUFHJSKPTDGI-NEPJUHHUSA-N 1 2 387.303 2.384 20 0 GEADLO Cn1cc([C@H]2CSCCC[N@H+]2C[C@H](O)c2cc(Br)no2)cn1 ZINC000933973228 654832300 /nfs/dbraw/zinc/83/23/00/654832300.db2.gz IZXUFHJSKPTDGI-NEPJUHHUSA-N 1 2 387.303 2.384 20 0 GEADLO C[C@H]1C[NH+](CCCCNS(=O)(=O)c2occc2Br)C[C@H](C)O1 ZINC000914249426 654838702 /nfs/dbraw/zinc/83/87/02/654838702.db2.gz FAAHRFUYTHANDD-RYUDHWBXSA-N 1 2 395.319 2.210 20 0 GEADLO O=S(=O)(Cc1ccsc1Br)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000914305010 654843576 /nfs/dbraw/zinc/84/35/76/654843576.db2.gz OYISWBJHKMNQNL-SNVBAGLBSA-N 1 2 376.301 2.142 20 0 GEADLO CSC1CCC(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000914328134 654845448 /nfs/dbraw/zinc/84/54/48/654845448.db2.gz HHPHIHVGSIWKCK-LEOMRAHMSA-N 1 2 387.615 2.415 20 0 GEADLO C[N@H+]1CC=C(CNS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)CC1 ZINC000914333243 654846201 /nfs/dbraw/zinc/84/62/01/654846201.db2.gz UMMLWHDIIOTOCA-DEOSSOPVSA-N 1 2 397.444 2.130 20 0 GEADLO C[N@@H+]1CC=C(CNS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)CC1 ZINC000914333243 654846204 /nfs/dbraw/zinc/84/62/04/654846204.db2.gz UMMLWHDIIOTOCA-DEOSSOPVSA-N 1 2 397.444 2.130 20 0 GEADLO O[C@H](C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1)c1cc(Br)no1 ZINC000934492848 654850707 /nfs/dbraw/zinc/85/07/07/654850707.db2.gz HPNCKTJSALDZMG-SMDDNHRTSA-N 1 2 379.258 2.350 20 0 GEADLO O[C@H](C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1)c1cc(Br)no1 ZINC000934492848 654850710 /nfs/dbraw/zinc/85/07/10/654850710.db2.gz HPNCKTJSALDZMG-SMDDNHRTSA-N 1 2 379.258 2.350 20 0 GEADLO C[C@](CO)([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cccc(Br)c1 ZINC000934494579 654850993 /nfs/dbraw/zinc/85/09/93/654850993.db2.gz RBSVZJCSGHXGGB-QGZVFWFLSA-N 1 2 394.269 2.015 20 0 GEADLO COC(=O)/C(C)=C/C[NH2+][C@@H](CO)c1ccccc1I ZINC000934828322 654862173 /nfs/dbraw/zinc/86/21/73/654862173.db2.gz LPESTYFSLHSZPJ-RSPDNQDQSA-N 1 2 375.206 2.034 20 0 GEADLO Cc1cccc([C@H](O)C[N@@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c1 ZINC000934781110 654859258 /nfs/dbraw/zinc/85/92/58/654859258.db2.gz OVOSMTPYFDBUQO-BZUAXINKSA-N 1 2 377.428 2.470 20 0 GEADLO Cc1cccc([C@H](O)C[N@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c1 ZINC000934781110 654859263 /nfs/dbraw/zinc/85/92/63/654859263.db2.gz OVOSMTPYFDBUQO-BZUAXINKSA-N 1 2 377.428 2.470 20 0 GEADLO Cc1cc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cnc1Br ZINC000935387743 654891017 /nfs/dbraw/zinc/89/10/17/654891017.db2.gz PNLKVAHOQYSGBH-UHFFFAOYSA-N 1 2 376.258 2.213 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(Cl)cs1 ZINC000998631301 654952246 /nfs/dbraw/zinc/95/22/46/654952246.db2.gz BAKBCWBOIJWIQY-XBFCOCLRSA-N 1 2 378.885 2.239 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)cc(Cl)n3)CC2)C1=O ZINC001164635775 719267776 /nfs/dbraw/zinc/26/77/76/719267776.db2.gz IFYSKRMIEMJVLG-UHFFFAOYSA-N 1 2 387.311 2.148 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)cc(Cl)n3)CC2)C1=O ZINC001164635775 719267781 /nfs/dbraw/zinc/26/77/81/719267781.db2.gz IFYSKRMIEMJVLG-UHFFFAOYSA-N 1 2 387.311 2.148 20 0 GEADLO [O-][n+]1ccc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1Cl ZINC001164676573 719568596 /nfs/dbraw/zinc/56/85/96/719568596.db2.gz JDEZCLIQSYSBQL-UHFFFAOYSA-N 1 2 381.770 2.314 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1Cl ZINC001164707249 719841442 /nfs/dbraw/zinc/84/14/42/719841442.db2.gz ZTFPKBLKLIJFCO-MEDUHNTESA-N 1 2 389.283 2.016 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2cc(C)ccc2n1 ZINC001164701919 719856811 /nfs/dbraw/zinc/85/68/11/719856811.db2.gz MAODRAGRKIZZJM-LAUBAEHRSA-N 1 2 384.480 2.171 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(OC)cc2n1 ZINC001164701910 719859320 /nfs/dbraw/zinc/85/93/20/719859320.db2.gz LZOZBCNDPWRNPS-VGSWGCGISA-N 1 2 399.491 2.476 20 0 GEADLO CCc1nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(Cl)nc1C ZINC001164699816 719879128 /nfs/dbraw/zinc/87/91/28/719879128.db2.gz IVQLVKOISUIUQG-LIRRHRJNSA-N 1 2 396.919 2.234 20 0 GEADLO CCc1nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(Cl)nc1C ZINC001164699814 719879198 /nfs/dbraw/zinc/87/91/98/719879198.db2.gz IVQLVKOISUIUQG-KUHUBIRLSA-N 1 2 396.919 2.234 20 0 GEADLO CCOc1nc(Cl)cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165010205 721700647 /nfs/dbraw/zinc/70/06/47/721700647.db2.gz FPNGOBWUOXTZTP-UHFFFAOYSA-N 1 2 379.896 2.371 20 0 GEADLO CCOc1nc(Cl)cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165010205 721700651 /nfs/dbraw/zinc/70/06/51/721700651.db2.gz FPNGOBWUOXTZTP-UHFFFAOYSA-N 1 2 379.896 2.371 20 0 GEADLO COC(=O)c1cc2c[nH]c(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)cc-2n1 ZINC001165008915 721709949 /nfs/dbraw/zinc/70/99/49/721709949.db2.gz KWSDZCAFTHSVQH-UHFFFAOYSA-N 1 2 397.483 2.192 20 0 GEADLO COC(=O)c1cc2c[nH]c(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)cc-2n1 ZINC001165008915 721709956 /nfs/dbraw/zinc/70/99/56/721709956.db2.gz KWSDZCAFTHSVQH-UHFFFAOYSA-N 1 2 397.483 2.192 20 0 GEADLO CCCNC(=O)c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165009135 721713411 /nfs/dbraw/zinc/71/34/11/721713411.db2.gz PYWXYXQXMZWVNP-UHFFFAOYSA-N 1 2 385.516 2.063 20 0 GEADLO CCCNC(=O)c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165009135 721713417 /nfs/dbraw/zinc/71/34/17/721713417.db2.gz PYWXYXQXMZWVNP-UHFFFAOYSA-N 1 2 385.516 2.063 20 0 GEADLO Fc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164912360 721777662 /nfs/dbraw/zinc/77/76/62/721777662.db2.gz KXUJYWIEPRUAJT-LJQANCHMSA-N 1 2 392.862 2.377 20 0 GEADLO Fc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164912360 721777668 /nfs/dbraw/zinc/77/76/68/721777668.db2.gz KXUJYWIEPRUAJT-LJQANCHMSA-N 1 2 392.862 2.377 20 0 GEADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C2CC2)n1 ZINC001164914658 721796985 /nfs/dbraw/zinc/79/69/85/721796985.db2.gz PCBQJQAYDISZSC-JOCHJYFZSA-N 1 2 395.507 2.165 20 0 GEADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C2CC2)n1 ZINC001164914658 721796987 /nfs/dbraw/zinc/79/69/87/721796987.db2.gz PCBQJQAYDISZSC-JOCHJYFZSA-N 1 2 395.507 2.165 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncccc2C(=O)N2CCCC2)CC1 ZINC001164919216 721812114 /nfs/dbraw/zinc/81/21/14/721812114.db2.gz WRSNWGHVHATDGW-UHFFFAOYSA-N 1 2 394.523 2.264 20 0 GEADLO COCc1cc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc(SC)n1 ZINC001164917990 721815256 /nfs/dbraw/zinc/81/52/56/721815256.db2.gz UCOKFDYSZUZAHV-UHFFFAOYSA-N 1 2 388.541 2.291 20 0 GEADLO COC(=O)c1nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)ccc1Cl ZINC001164918420 721815387 /nfs/dbraw/zinc/81/53/87/721815387.db2.gz XBHRKAJOMVFMGB-UHFFFAOYSA-N 1 2 389.887 2.468 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc3ncnc(Cl)c3n2)CC1 ZINC001164918944 721817578 /nfs/dbraw/zinc/81/75/78/721817578.db2.gz XONMKIAFAMZOQI-UHFFFAOYSA-N 1 2 384.875 2.019 20 0 GEADLO COC(=O)c1ccc2nc(Cl)c(N3CC[NH+](C[C@H]4CCCO4)CC3)nc2c1 ZINC001165035421 721902680 /nfs/dbraw/zinc/90/26/80/721902680.db2.gz BIMSHTSJIZDZGM-CQSZACIVSA-N 1 2 390.871 2.371 20 0 GEADLO NC(=O)c1nc(Cl)nc(Cl)c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045333 721957014 /nfs/dbraw/zinc/95/70/14/721957014.db2.gz SGNHYKXOUTXYGQ-UHFFFAOYSA-N 1 2 396.278 2.083 20 0 GEADLO Cc1cnc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164948265 721975278 /nfs/dbraw/zinc/97/52/78/721975278.db2.gz VZTIIIXZOJEGNM-UHFFFAOYSA-N 1 2 385.899 2.409 20 0 GEADLO Cc1cnc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164948265 721975280 /nfs/dbraw/zinc/97/52/80/721975280.db2.gz VZTIIIXZOJEGNM-UHFFFAOYSA-N 1 2 385.899 2.409 20 0 GEADLO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)[C@@H]2COC[C@H]12 ZINC001164957577 722038401 /nfs/dbraw/zinc/03/84/01/722038401.db2.gz AIUREKZDPAWBKO-BFYDXBDKSA-N 1 2 388.899 2.438 20 0 GEADLO Cn1cccc1C(=O)N[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)[C@@H]2COC[C@H]12 ZINC001164957577 722038403 /nfs/dbraw/zinc/03/84/03/722038403.db2.gz AIUREKZDPAWBKO-BFYDXBDKSA-N 1 2 388.899 2.438 20 0 GEADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N(C)C)[nH+]cn4)CC[C@@H]32)cs1 ZINC001164988434 722174366 /nfs/dbraw/zinc/17/43/66/722174366.db2.gz RAFGMIIRNKVYTH-DLBZAZTESA-N 1 2 388.541 2.177 20 0 GEADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N(C)C)nc[nH+]4)CC[C@@H]32)cs1 ZINC001164988434 722174367 /nfs/dbraw/zinc/17/43/67/722174367.db2.gz RAFGMIIRNKVYTH-DLBZAZTESA-N 1 2 388.541 2.177 20 0 GEADLO Cc1nc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c2c([nH+]1)CCC2 ZINC001165006486 722266968 /nfs/dbraw/zinc/26/69/68/722266968.db2.gz KCOILYSIUJQQEX-QFIPXVFZSA-N 1 2 395.482 2.340 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1sccc1Br ZINC000521330462 531243908 /nfs/dbraw/zinc/24/39/08/531243908.db2.gz MKLPRCAYQNSMOV-UHFFFAOYSA-N 1 2 385.287 2.292 20 0 GEADLO O=C(Nc1cc(Br)c(F)cc1Cl)N1CC[NH+](CCO)CC1 ZINC000151677275 531514414 /nfs/dbraw/zinc/51/44/14/531514414.db2.gz ZYXLURAXNXNDCA-UHFFFAOYSA-N 1 2 380.645 2.383 20 0 GEADLO C[C@H](CC[S@](C)=O)Nc1nc(N[C@@H](C)CC[S@](C)=O)[nH+]cc1Cl ZINC000489950600 531517166 /nfs/dbraw/zinc/51/71/66/531517166.db2.gz DYGWUEMUJILATF-FVEVDWNHSA-N 1 2 380.967 2.268 20 0 GEADLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)nc1C ZINC000151761629 531519046 /nfs/dbraw/zinc/51/90/46/531519046.db2.gz FSXXGJXTPGNWIW-ZJUUUORDSA-N 1 2 379.404 2.442 20 0 GEADLO O=C([C@H]1CCCC[N@H+]1C[C@H](O)c1ccccc1Br)N1CCOCC1 ZINC000152291551 531540200 /nfs/dbraw/zinc/54/02/00/531540200.db2.gz WXSYKPBEKKXGEC-SJORKVTESA-N 1 2 397.313 2.196 20 0 GEADLO O=C([C@H]1CCCC[N@@H+]1C[C@H](O)c1ccccc1Br)N1CCOCC1 ZINC000152291551 531540204 /nfs/dbraw/zinc/54/02/04/531540204.db2.gz WXSYKPBEKKXGEC-SJORKVTESA-N 1 2 397.313 2.196 20 0 GEADLO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000152897332 531577387 /nfs/dbraw/zinc/57/73/87/531577387.db2.gz ZNPFFMCAILDNKX-XHSDSOJGSA-N 1 2 397.313 2.227 20 0 GEADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cncc(I)c1 ZINC000153160879 531592285 /nfs/dbraw/zinc/59/22/85/531592285.db2.gz DQFUSMBKHYCIJB-ZDUSSCGKSA-N 1 2 394.216 2.090 20 0 GEADLO CCCCNC(=O)CN1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000023288347 531596388 /nfs/dbraw/zinc/59/63/88/531596388.db2.gz ABELPUNGQFELFK-UHFFFAOYSA-N 1 2 398.345 2.362 20 0 GEADLO Cc1c(I)cccc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000153351040 531596821 /nfs/dbraw/zinc/59/68/21/531596821.db2.gz USZDPRREMDKXKF-UHFFFAOYSA-N 1 2 388.249 2.004 20 0 GEADLO O=C(C[N@@H+]1CC[C@@]2(CCOC2)C1)Nc1ccccc1I ZINC000153745588 531607006 /nfs/dbraw/zinc/60/70/06/531607006.db2.gz RNLAWLKEMCOAAM-OAHLLOKOSA-N 1 2 386.233 2.342 20 0 GEADLO O=C(C[N@H+]1CC[C@@]2(CCOC2)C1)Nc1ccccc1I ZINC000153745588 531607016 /nfs/dbraw/zinc/60/70/16/531607016.db2.gz RNLAWLKEMCOAAM-OAHLLOKOSA-N 1 2 386.233 2.342 20 0 GEADLO CCNC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000153797201 531609662 /nfs/dbraw/zinc/60/96/62/531609662.db2.gz PEZHVKGDEVWMMO-CYBMUJFWSA-N 1 2 376.284 2.080 20 0 GEADLO Cc1nnc(SCC(=O)NCc2ccccc2C[NH+]2CCOCC2)s1 ZINC000027414456 531624107 /nfs/dbraw/zinc/62/41/07/531624107.db2.gz VMWMEDQEEFZWMX-UHFFFAOYSA-N 1 2 378.523 2.087 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000030132025 531633327 /nfs/dbraw/zinc/63/33/27/531633327.db2.gz OOILWHYQVXPLIJ-CYBMUJFWSA-N 1 2 387.933 2.461 20 0 GEADLO C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031940636 531646922 /nfs/dbraw/zinc/64/69/22/531646922.db2.gz LAWNXEIKIWISPI-KBXCAEBGSA-N 1 2 384.929 2.431 20 0 GEADLO O=C(CSCc1ccc(F)cc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031943086 531647714 /nfs/dbraw/zinc/64/77/14/531647714.db2.gz LDKFHRYQQLDJLS-GOSISDBHSA-N 1 2 384.542 2.383 20 0 GEADLO O=S(=O)(c1ccc(C[NH2+]Cc2c(F)cccc2F)s1)N1CCOCC1 ZINC000030906216 531641816 /nfs/dbraw/zinc/64/18/16/531641816.db2.gz DTZIDOIPGICGLG-UHFFFAOYSA-N 1 2 388.461 2.337 20 0 GEADLO CNC(=O)CCC[N@H+](C)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000155012981 531649636 /nfs/dbraw/zinc/64/96/36/531649636.db2.gz DVDSZSXGUIHFCT-UHFFFAOYSA-N 1 2 381.274 2.381 20 0 GEADLO CNC(=O)CCC[N@@H+](C)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000155012981 531649647 /nfs/dbraw/zinc/64/96/47/531649647.db2.gz DVDSZSXGUIHFCT-UHFFFAOYSA-N 1 2 381.274 2.381 20 0 GEADLO CCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000043231755 531679794 /nfs/dbraw/zinc/67/97/94/531679794.db2.gz DYVQXQORLCXOPE-HUUCEWRRSA-N 1 2 385.555 2.104 20 0 GEADLO O=C(CCNS(=O)(=O)c1cccs1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000042798338 531671682 /nfs/dbraw/zinc/67/16/82/531671682.db2.gz GLHKZHVPAYENRB-UHFFFAOYSA-N 1 2 398.897 2.034 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1I ZINC000045953115 531696693 /nfs/dbraw/zinc/69/66/93/531696693.db2.gz CEHRKWUKPIJRJM-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO O=C(C[NH+]1CCC(Cn2ccnn2)CC1)Nc1ccccc1Br ZINC000155679220 531697367 /nfs/dbraw/zinc/69/73/67/531697367.db2.gz AVCAWBJIFYLUKU-UHFFFAOYSA-N 1 2 378.274 2.391 20 0 GEADLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000045470469 531693079 /nfs/dbraw/zinc/69/30/79/531693079.db2.gz FVVCTSFUIPXTBG-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000045470469 531693089 /nfs/dbraw/zinc/69/30/89/531693089.db2.gz FVVCTSFUIPXTBG-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccc(Br)o1 ZINC000048052890 531724823 /nfs/dbraw/zinc/72/48/23/531724823.db2.gz AWLFVBIIQDTATR-ZDUSSCGKSA-N 1 2 387.274 2.418 20 0 GEADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000048052890 531724833 /nfs/dbraw/zinc/72/48/33/531724833.db2.gz AWLFVBIIQDTATR-ZDUSSCGKSA-N 1 2 387.274 2.418 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)[C@H]1C[N@H+](C)CCO1 ZINC000156291934 531726412 /nfs/dbraw/zinc/72/64/12/531726412.db2.gz QTRAVFWWGVTBQM-NOZJJQNGSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000156291934 531726424 /nfs/dbraw/zinc/72/64/24/531726424.db2.gz QTRAVFWWGVTBQM-NOZJJQNGSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@@H](CNC(=O)NCCc1ccc(Br)s1)[NH+]1CCOCC1 ZINC000048379794 531730621 /nfs/dbraw/zinc/73/06/21/531730621.db2.gz SRMNLHMCADVHBW-NSHDSACASA-N 1 2 376.320 2.073 20 0 GEADLO O=C(C[NH+](CC(=O)NCc1cccs1)CC1CC1)NCc1cccs1 ZINC000047614257 531717798 /nfs/dbraw/zinc/71/77/98/531717798.db2.gz XJNAAFIGDXBFSN-UHFFFAOYSA-N 1 2 377.535 2.454 20 0 GEADLO Cc1csc(CCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000047742162 531719915 /nfs/dbraw/zinc/71/99/15/531719915.db2.gz SBLRHNGZTMZZLS-AWEZNQCLSA-N 1 2 380.539 2.428 20 0 GEADLO Cn1cc(NC(=O)NCCCNc2cccc[nH+]2)cc(Br)c1=O ZINC000156213034 531721631 /nfs/dbraw/zinc/72/16/31/531721631.db2.gz BJHPMDBZKOQFBR-UHFFFAOYSA-N 1 2 380.246 2.167 20 0 GEADLO COc1ccccc1[C@H](NC(=O)CSc1nncs1)c1[nH+]ccn1C ZINC000051031065 531737587 /nfs/dbraw/zinc/73/75/87/531737587.db2.gz YWRVNAFOGPWFQV-AWEZNQCLSA-N 1 2 375.479 2.278 20 0 GEADLO CC(C)[C@H]([NH3+])CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000157304387 531738207 /nfs/dbraw/zinc/73/82/07/531738207.db2.gz HOFDRDYGZJXTPD-OAHLLOKOSA-N 1 2 381.523 2.191 20 0 GEADLO CC(C)[C@@H]([NH3+])CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000157304519 531738816 /nfs/dbraw/zinc/73/88/16/531738816.db2.gz HOFDRDYGZJXTPD-HNNXBMFYSA-N 1 2 381.523 2.191 20 0 GEADLO Brc1ccc(CN2CCN(CCC[NH+]3CCOCC3)CC2)s1 ZINC000157409048 531741635 /nfs/dbraw/zinc/74/16/35/531741635.db2.gz KVBDHDMXYQDVMG-UHFFFAOYSA-N 1 2 388.375 2.351 20 0 GEADLO COC(=O)c1sc2[nH]c(C[N@H+](C)CCc3nccs3)nc(=O)c2c1C ZINC000157587239 531747471 /nfs/dbraw/zinc/74/74/71/531747471.db2.gz LVQMCVIYQMLVKL-UHFFFAOYSA-N 1 2 378.479 2.211 20 0 GEADLO COC(=O)c1sc2[nH]c(C[N@@H+](C)CCc3nccs3)nc(=O)c2c1C ZINC000157587239 531747481 /nfs/dbraw/zinc/74/74/81/531747481.db2.gz LVQMCVIYQMLVKL-UHFFFAOYSA-N 1 2 378.479 2.211 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cn(C)nc3-c3cccs3)CC2)S1 ZINC000157627349 531749464 /nfs/dbraw/zinc/74/94/64/531749464.db2.gz RPWFBLYSPAQQMP-LBPRGKRZSA-N 1 2 375.523 2.398 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000053079726 531753780 /nfs/dbraw/zinc/75/37/80/531753780.db2.gz FZTAWFPDWCKCMG-GFCCVEGCSA-N 1 2 388.295 2.041 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1Cl ZINC000053217673 531759081 /nfs/dbraw/zinc/75/90/81/531759081.db2.gz PFUZKUDPASTMHU-OAHLLOKOSA-N 1 2 387.933 2.381 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1Cl ZINC000053217673 531759082 /nfs/dbraw/zinc/75/90/82/531759082.db2.gz PFUZKUDPASTMHU-OAHLLOKOSA-N 1 2 387.933 2.381 20 0 GEADLO O=S(=O)(NCCC[NH+]1CCOCC1)c1c(Cl)cccc1C(F)(F)F ZINC000157989556 531760451 /nfs/dbraw/zinc/76/04/51/531760451.db2.gz UVPNMYWFVMCPKQ-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000158265745 531773795 /nfs/dbraw/zinc/77/37/95/531773795.db2.gz VWYJJGQGPZAFKD-ZYHUDNBSSA-N 1 2 376.404 2.400 20 0 GEADLO CCOCCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000158287414 531773958 /nfs/dbraw/zinc/77/39/58/531773958.db2.gz HJKLQQOYBZIGDF-UHFFFAOYSA-N 1 2 391.331 2.182 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000055244541 531785245 /nfs/dbraw/zinc/78/52/45/531785245.db2.gz YUDCOQKIJBYTEI-JTQLQIEISA-N 1 2 388.946 2.169 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000055244541 531785253 /nfs/dbraw/zinc/78/52/53/531785253.db2.gz YUDCOQKIJBYTEI-JTQLQIEISA-N 1 2 388.946 2.169 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCc2cnc(N)nc2C1)c1ccc(Br)cc1 ZINC000623295297 531807790 /nfs/dbraw/zinc/80/77/90/531807790.db2.gz CEILIISYYIKXBJ-LLVKDONJSA-N 1 2 390.285 2.057 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCc2cnc(N)nc2C1)c1ccc(Br)cc1 ZINC000623295297 531807795 /nfs/dbraw/zinc/80/77/95/531807795.db2.gz CEILIISYYIKXBJ-LLVKDONJSA-N 1 2 390.285 2.057 20 0 GEADLO Cn1c2ccc(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)cc2[nH+]c1C1CC1 ZINC000162115348 531835467 /nfs/dbraw/zinc/83/54/67/531835467.db2.gz HOVAKSKNAWSBSP-CYBMUJFWSA-N 1 2 379.507 2.310 20 0 GEADLO C[C@H](C[NH+]1CCN(Cc2ccc(Br)cc2)CC1)CS(C)(=O)=O ZINC000163992446 531867138 /nfs/dbraw/zinc/86/71/38/531867138.db2.gz RNWUVZPJAKEALH-CQSZACIVSA-N 1 2 389.359 2.247 20 0 GEADLO Cc1sc2ncnc(SCC(=O)N(C)CC[NH+]3CCOCC3)c2c1C ZINC000171418593 531905638 /nfs/dbraw/zinc/90/56/38/531905638.db2.gz URFFPGSZGYEVGF-UHFFFAOYSA-N 1 2 380.539 2.191 20 0 GEADLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c2cc(Br)ccc2n1 ZINC000171286900 531902518 /nfs/dbraw/zinc/90/25/18/531902518.db2.gz WGAYDWDSIMXCEX-CYBMUJFWSA-N 1 2 378.270 2.366 20 0 GEADLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c2cc(Br)ccc2n1 ZINC000171286900 531902528 /nfs/dbraw/zinc/90/25/28/531902528.db2.gz WGAYDWDSIMXCEX-CYBMUJFWSA-N 1 2 378.270 2.366 20 0 GEADLO COCC[NH+]1CCC(NC(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000171765814 531916730 /nfs/dbraw/zinc/91/67/30/531916730.db2.gz DRKQRKFBELUEJI-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO Cc1ccc(Br)c2c1NC(=O)[C@]21NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000172853004 531969148 /nfs/dbraw/zinc/96/91/48/531969148.db2.gz JONWJKZCKUBMOX-KRWDZBQOSA-N 1 2 397.236 2.310 20 0 GEADLO CC1CCN(c2ccc(CNS(=O)(=O)c3ncn(C)c3Cl)c[nH+]2)CC1 ZINC000119499796 531971642 /nfs/dbraw/zinc/97/16/42/531971642.db2.gz GTWMAHBHEMANEM-UHFFFAOYSA-N 1 2 383.905 2.183 20 0 GEADLO O=S(=O)(c1cccc2c1N=S=N2)N1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000120751622 531992036 /nfs/dbraw/zinc/99/20/36/531992036.db2.gz YRSRUDYSUNEXBD-ZIAGYGMSSA-N 1 2 382.511 2.023 20 0 GEADLO CNC(=O)Cc1nc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cs1 ZINC000173176888 531992652 /nfs/dbraw/zinc/99/26/52/531992652.db2.gz IXCMIHCAQPADPU-UHFFFAOYSA-N 1 2 378.929 2.403 20 0 GEADLO C[C@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@H](c2ccsc2)O1 ZINC000120653900 531988743 /nfs/dbraw/zinc/98/87/43/531988743.db2.gz HINBCUTYWHWJKC-SUMWQHHRSA-N 1 2 382.507 2.236 20 0 GEADLO C[C@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@H](c2ccsc2)O1 ZINC000120653900 531988749 /nfs/dbraw/zinc/98/87/49/531988749.db2.gz HINBCUTYWHWJKC-SUMWQHHRSA-N 1 2 382.507 2.236 20 0 GEADLO CC(C)OC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000173468375 532013130 /nfs/dbraw/zinc/01/31/30/532013130.db2.gz OGPYROVRHQYPFX-UHFFFAOYSA-N 1 2 392.880 2.127 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000173657333 532024826 /nfs/dbraw/zinc/02/48/26/532024826.db2.gz PFBPOUXZSTTWOL-CQSZACIVSA-N 1 2 385.302 2.397 20 0 GEADLO CCc1ccc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)s1 ZINC000121371274 532025788 /nfs/dbraw/zinc/02/57/88/532025788.db2.gz IXUJOFWOCIFPLD-CVEARBPZSA-N 1 2 380.535 2.224 20 0 GEADLO CCc1ccc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)s1 ZINC000121371274 532025791 /nfs/dbraw/zinc/02/57/91/532025791.db2.gz IXUJOFWOCIFPLD-CVEARBPZSA-N 1 2 380.535 2.224 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000173764216 532032620 /nfs/dbraw/zinc/03/26/20/532032620.db2.gz IOSHGHRZAKDGHW-BLLLJJGKSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000173764216 532032627 /nfs/dbraw/zinc/03/26/27/532032627.db2.gz IOSHGHRZAKDGHW-BLLLJJGKSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000173766766 532032952 /nfs/dbraw/zinc/03/29/52/532032952.db2.gz ZQDOILDJGGAERP-LBPRGKRZSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1csc(CS(C)(=O)=O)n1 ZINC000173772995 532031874 /nfs/dbraw/zinc/03/18/74/532031874.db2.gz AQKCOXJMZNIFBW-HNNXBMFYSA-N 1 2 379.551 2.394 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1csc(CS(C)(=O)=O)n1 ZINC000173772995 532031878 /nfs/dbraw/zinc/03/18/78/532031878.db2.gz AQKCOXJMZNIFBW-HNNXBMFYSA-N 1 2 379.551 2.394 20 0 GEADLO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NCCn1cc[nH+]c1 ZINC000173903482 532041915 /nfs/dbraw/zinc/04/19/15/532041915.db2.gz CENLUBNCWKETBM-UHFFFAOYSA-N 1 2 377.754 2.329 20 0 GEADLO Brc1cc2c(cc1CN1CCC[C@@H]1C[NH+]1CCOCC1)OCO2 ZINC000174026092 532046906 /nfs/dbraw/zinc/04/69/06/532046906.db2.gz DLHMPZFBDVJWNJ-CQSZACIVSA-N 1 2 383.286 2.474 20 0 GEADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)Cc1csc(Br)c1 ZINC000174130210 532051461 /nfs/dbraw/zinc/05/14/61/532051461.db2.gz VRIRUENMRXFJMC-SNVBAGLBSA-N 1 2 388.331 2.068 20 0 GEADLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)Cc1csc(Br)c1 ZINC000174130210 532051458 /nfs/dbraw/zinc/05/14/58/532051458.db2.gz VRIRUENMRXFJMC-SNVBAGLBSA-N 1 2 388.331 2.068 20 0 GEADLO Cc1nsc(N2CCC[N@H+](CC(=O)N3CCc4sccc4C3)CC2)n1 ZINC000174171406 532053969 /nfs/dbraw/zinc/05/39/69/532053969.db2.gz MBUXPVYODOVUEE-UHFFFAOYSA-N 1 2 377.539 2.005 20 0 GEADLO Cc1nsc(N2CCC[N@@H+](CC(=O)N3CCc4sccc4C3)CC2)n1 ZINC000174171406 532053977 /nfs/dbraw/zinc/05/39/77/532053977.db2.gz MBUXPVYODOVUEE-UHFFFAOYSA-N 1 2 377.539 2.005 20 0 GEADLO O=c1c(Br)c(Br)cnn1Cc1[nH+]ccn1C(F)F ZINC000122067091 532057362 /nfs/dbraw/zinc/05/73/62/532057362.db2.gz YKSAAAGSIWRNTI-UHFFFAOYSA-N 1 2 383.978 2.408 20 0 GEADLO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000174759299 532077647 /nfs/dbraw/zinc/07/76/47/532077647.db2.gz LPPLBSALZPHUQE-ZDUSSCGKSA-N 1 2 381.523 2.433 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000122701919 532079642 /nfs/dbraw/zinc/07/96/42/532079642.db2.gz BPZZFVRMGJVXSB-TZMCWYRMSA-N 1 2 380.432 2.171 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[N@H+]1C[C@@H](C)O ZINC000122701919 532079646 /nfs/dbraw/zinc/07/96/46/532079646.db2.gz BPZZFVRMGJVXSB-TZMCWYRMSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)Cc2c(F)cccc2F)C[C@H](C)O1 ZINC000122697270 532079745 /nfs/dbraw/zinc/07/97/45/532079745.db2.gz IZBYBLVOJGJROF-STQMWFEESA-N 1 2 376.469 2.272 20 0 GEADLO CC[C@@](C)(O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000123026546 532091025 /nfs/dbraw/zinc/09/10/25/532091025.db2.gz JFDLBDZUUXPWRE-OAHLLOKOSA-N 1 2 381.325 2.461 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000123787249 532107098 /nfs/dbraw/zinc/10/70/98/532107098.db2.gz PHUIIDRBVMVCQL-GFCCVEGCSA-N 1 2 376.463 2.239 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000175322790 532099699 /nfs/dbraw/zinc/09/96/99/532099699.db2.gz WODMLFQVGMZTOB-LLVKDONJSA-N 1 2 395.308 2.251 20 0 GEADLO COc1nc(N2CCN(Cc3[nH+]ccn3C(C)C)CC2)ncc1Br ZINC000175866502 532117769 /nfs/dbraw/zinc/11/77/69/532117769.db2.gz HVCMZEWKIFIEJY-UHFFFAOYSA-N 1 2 395.305 2.347 20 0 GEADLO NC(=O)c1cccnc1N1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000124356042 532119707 /nfs/dbraw/zinc/11/97/07/532119707.db2.gz XYCDCGBGDJWLCH-UHFFFAOYSA-N 1 2 381.299 2.327 20 0 GEADLO Brc1nc(Br)n(Cc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000175941790 532120341 /nfs/dbraw/zinc/12/03/41/532120341.db2.gz BUHUYHNKNVAOMP-UHFFFAOYSA-N 1 2 384.035 2.432 20 0 GEADLO NC(=O)NC1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000175758941 532112969 /nfs/dbraw/zinc/11/29/69/532112969.db2.gz BPNUBBJGUGSFOG-UHFFFAOYSA-N 1 2 394.273 2.056 20 0 GEADLO Cc1cc(NC(=O)C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)n(C)n1 ZINC000125578181 532138276 /nfs/dbraw/zinc/13/82/76/532138276.db2.gz UUPHEMYCNIOIJU-AWEZNQCLSA-N 1 2 381.274 2.095 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)n(C)n1 ZINC000125578181 532138278 /nfs/dbraw/zinc/13/82/78/532138278.db2.gz UUPHEMYCNIOIJU-AWEZNQCLSA-N 1 2 381.274 2.095 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccnc1Br ZINC000125604803 532139307 /nfs/dbraw/zinc/13/93/07/532139307.db2.gz QRAYZZBBCUIWSX-HNNXBMFYSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccnc1Br ZINC000125604803 532139310 /nfs/dbraw/zinc/13/93/10/532139310.db2.gz QRAYZZBBCUIWSX-HNNXBMFYSA-N 1 2 390.281 2.475 20 0 GEADLO Cc1cc(CCC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)ccc1Br ZINC000176072517 532125007 /nfs/dbraw/zinc/12/50/07/532125007.db2.gz RSIZJYIPHDJFEZ-HNNXBMFYSA-N 1 2 382.346 2.442 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1Cl ZINC000124607914 532125340 /nfs/dbraw/zinc/12/53/40/532125340.db2.gz BTMRIHODJKTZGX-UHFFFAOYSA-N 1 2 388.295 2.467 20 0 GEADLO O=C(Nc1ccccc1Br)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000124648937 532125890 /nfs/dbraw/zinc/12/58/90/532125890.db2.gz HQBMGAACDDCSMM-LBPRGKRZSA-N 1 2 389.253 2.178 20 0 GEADLO CNS(=O)(=O)c1csc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000176132475 532127933 /nfs/dbraw/zinc/12/79/33/532127933.db2.gz CFUPNOIAFXTNCH-UHFFFAOYSA-N 1 2 380.426 2.233 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000124742626 532128744 /nfs/dbraw/zinc/12/87/44/532128744.db2.gz GLIZKXOSLKVYNZ-GFCCVEGCSA-N 1 2 380.794 2.124 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000125104411 532132528 /nfs/dbraw/zinc/13/25/28/532132528.db2.gz ATVYNSCBWBKNBG-QGZVFWFLSA-N 1 2 394.313 2.277 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc(Cl)cc(Br)c1O ZINC000176296041 532133684 /nfs/dbraw/zinc/13/36/84/532133684.db2.gz WKTULWOLDZJEQF-LLVKDONJSA-N 1 2 389.677 2.401 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc(Cl)cc(Br)c1O ZINC000176296041 532133688 /nfs/dbraw/zinc/13/36/88/532133688.db2.gz WKTULWOLDZJEQF-LLVKDONJSA-N 1 2 389.677 2.401 20 0 GEADLO CNS(=O)(=O)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)co1 ZINC000125262319 532133776 /nfs/dbraw/zinc/13/37/76/532133776.db2.gz BKWSCSANJGSMAK-UHFFFAOYSA-N 1 2 380.813 2.279 20 0 GEADLO O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000176857463 532152049 /nfs/dbraw/zinc/15/20/49/532152049.db2.gz PDAYVJRDCMYWJO-UHFFFAOYSA-N 1 2 391.225 2.330 20 0 GEADLO COC[C@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000176644556 532144496 /nfs/dbraw/zinc/14/44/96/532144496.db2.gz ZSPNXMVVWWIQFT-SJORKVTESA-N 1 2 397.313 2.460 20 0 GEADLO C[C@@H](C[NH2+][C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000129796933 532184736 /nfs/dbraw/zinc/18/47/36/532184736.db2.gz GFBYGEFXFKNJRR-GXFFZTMASA-N 1 2 376.404 2.183 20 0 GEADLO COc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)sc1Br ZINC000130448404 532192388 /nfs/dbraw/zinc/19/23/88/532192388.db2.gz XYKCHHWNSFJCLE-VHSXEESVSA-N 1 2 377.304 2.358 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C)c1ccsc1 ZINC000131463321 532197569 /nfs/dbraw/zinc/19/75/69/532197569.db2.gz BHVPURGVMATEBO-OFQRWUPVSA-N 1 2 387.571 2.348 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C)c1ccsc1 ZINC000131462921 532197954 /nfs/dbraw/zinc/19/79/54/532197954.db2.gz BHVPURGVMATEBO-SQWLQELKSA-N 1 2 387.571 2.348 20 0 GEADLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000129915573 532186787 /nfs/dbraw/zinc/18/67/87/532186787.db2.gz FQRVVMQPGDLXHJ-NSHDSACASA-N 1 2 384.889 2.452 20 0 GEADLO NC(=O)c1cccnc1N1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000131936103 532206919 /nfs/dbraw/zinc/20/69/19/532206919.db2.gz OFTOEGNADIXDRZ-UHFFFAOYSA-N 1 2 393.260 2.404 20 0 GEADLO O=S(=O)(c1c(F)cccc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000131975953 532207293 /nfs/dbraw/zinc/20/72/93/532207293.db2.gz IOZDWOUGTXNWNI-CYBMUJFWSA-N 1 2 376.881 2.212 20 0 GEADLO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178649378 532208065 /nfs/dbraw/zinc/20/80/65/532208065.db2.gz IYYRZIYQPSGWKR-TZMCWYRMSA-N 1 2 384.343 2.046 20 0 GEADLO O=C(CCSc1ccc(Br)cc1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178636858 532208469 /nfs/dbraw/zinc/20/84/69/532208469.db2.gz OCQQRBJGKNMKKO-AWEZNQCLSA-N 1 2 384.343 2.047 20 0 GEADLO COC[C@@](C)(CCO)[NH2+]Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000133269413 532230800 /nfs/dbraw/zinc/23/08/00/532230800.db2.gz SHJYOHZZBDMRHR-MRXNPFEDSA-N 1 2 384.274 2.300 20 0 GEADLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cc(Br)c2c(c1)OCCO2 ZINC000179487532 532232593 /nfs/dbraw/zinc/23/25/93/532232593.db2.gz ZQTIBRGPJVARSU-AWEZNQCLSA-N 1 2 381.270 2.463 20 0 GEADLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cc(Br)c2c(c1)OCCO2 ZINC000179487532 532232595 /nfs/dbraw/zinc/23/25/95/532232595.db2.gz ZQTIBRGPJVARSU-AWEZNQCLSA-N 1 2 381.270 2.463 20 0 GEADLO COC(=O)C[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000179128205 532223257 /nfs/dbraw/zinc/22/32/57/532223257.db2.gz HRCSESNKEIUUAP-CYBMUJFWSA-N 1 2 390.299 2.250 20 0 GEADLO COC(=O)C[C@H]1CCC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000179128205 532223259 /nfs/dbraw/zinc/22/32/59/532223259.db2.gz HRCSESNKEIUUAP-CYBMUJFWSA-N 1 2 390.299 2.250 20 0 GEADLO Cc1cc(Br)ccc1CN1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000179731834 532241643 /nfs/dbraw/zinc/24/16/43/532241643.db2.gz WMOQPSPUISYSHW-MRXNPFEDSA-N 1 2 387.343 2.062 20 0 GEADLO O=C(C[NH+]1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1)N1CCCC1 ZINC000134294977 532253908 /nfs/dbraw/zinc/25/39/08/532253908.db2.gz FQCGQWCBBIPKGT-QGZVFWFLSA-N 1 2 386.323 2.267 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2sc(C)cc2OC(F)F)[C@@H](C)C1 ZINC000180384190 532270623 /nfs/dbraw/zinc/27/06/23/532270623.db2.gz WUROFWHZPDWBNB-JTQLQIEISA-N 1 2 376.425 2.367 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2sc(C)cc2OC(F)F)[C@@H](C)C1 ZINC000180384190 532270625 /nfs/dbraw/zinc/27/06/25/532270625.db2.gz WUROFWHZPDWBNB-JTQLQIEISA-N 1 2 376.425 2.367 20 0 GEADLO COC(=O)[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000135380087 532272475 /nfs/dbraw/zinc/27/24/75/532272475.db2.gz RUHYEPAIESSUFR-NHYWBVRUSA-N 1 2 399.285 2.022 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000180334193 532268130 /nfs/dbraw/zinc/26/81/30/532268130.db2.gz GDCVULAULSSQIW-JTQLQIEISA-N 1 2 399.257 2.174 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000180334193 532268135 /nfs/dbraw/zinc/26/81/35/532268135.db2.gz GDCVULAULSSQIW-JTQLQIEISA-N 1 2 399.257 2.174 20 0 GEADLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@@H]21)N(Cc1ccco1)CC(F)(F)F ZINC000135571985 532275977 /nfs/dbraw/zinc/27/59/77/532275977.db2.gz MHXBYWGXVYIDIZ-KBPBESRZSA-N 1 2 378.416 2.377 20 0 GEADLO O=C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)N(Cc1ccco1)CC(F)(F)F ZINC000135571985 532275979 /nfs/dbraw/zinc/27/59/79/532275979.db2.gz MHXBYWGXVYIDIZ-KBPBESRZSA-N 1 2 378.416 2.377 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)[C@@H]3CCO[C@@H]3C)CC2)cs1 ZINC000135615727 532277151 /nfs/dbraw/zinc/27/71/51/532277151.db2.gz DFMMXNRPNBUXBE-CZUORRHYSA-N 1 2 387.571 2.014 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000180467125 532272902 /nfs/dbraw/zinc/27/29/02/532272902.db2.gz HZOIDDOUGAXUGD-QGZVFWFLSA-N 1 2 389.297 2.188 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000180478333 532273220 /nfs/dbraw/zinc/27/32/20/532273220.db2.gz PEGWHUVKTLHWBS-INIZCTEOSA-N 1 2 390.285 2.153 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000180478333 532273224 /nfs/dbraw/zinc/27/32/24/532273224.db2.gz PEGWHUVKTLHWBS-INIZCTEOSA-N 1 2 390.285 2.153 20 0 GEADLO C[C@@H]1CCC[C@H](CO)[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000181383589 532297025 /nfs/dbraw/zinc/29/70/25/532297025.db2.gz SUJWGDYNSXHVFK-TZMCWYRMSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@@H]1CCC[C@H](CO)[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000181383589 532297028 /nfs/dbraw/zinc/29/70/28/532297028.db2.gz SUJWGDYNSXHVFK-TZMCWYRMSA-N 1 2 376.316 2.458 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000181517497 532300294 /nfs/dbraw/zinc/30/02/94/532300294.db2.gz YVRPWBHJZFNLDG-LLVKDONJSA-N 1 2 395.308 2.251 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000181517497 532300296 /nfs/dbraw/zinc/30/02/96/532300296.db2.gz YVRPWBHJZFNLDG-LLVKDONJSA-N 1 2 395.308 2.251 20 0 GEADLO C[C@H]1C[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)CCN1S(C)(=O)=O ZINC000181597116 532303190 /nfs/dbraw/zinc/30/31/90/532303190.db2.gz VXWXTNASWNVYCQ-ZDUSSCGKSA-N 1 2 388.917 2.010 20 0 GEADLO C[C@H]1C[N@@H+](CCc2cc(Cl)c3c(c2)OCCCO3)CCN1S(C)(=O)=O ZINC000181597116 532303192 /nfs/dbraw/zinc/30/31/92/532303192.db2.gz VXWXTNASWNVYCQ-ZDUSSCGKSA-N 1 2 388.917 2.010 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[NH2+]C(C)(C)c2nc(C)cs2)n1 ZINC000181762014 532305965 /nfs/dbraw/zinc/30/59/65/532305965.db2.gz FVKFYJDZOFXIPD-UHFFFAOYSA-N 1 2 382.511 2.477 20 0 GEADLO COCCc1noc(C[N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)n1 ZINC000150999873 532305992 /nfs/dbraw/zinc/30/59/92/532305992.db2.gz GFBSCOKYDPWOGI-GFCCVEGCSA-N 1 2 390.267 2.437 20 0 GEADLO COCCc1noc(C[N@@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)n1 ZINC000150999873 532305995 /nfs/dbraw/zinc/30/59/95/532305995.db2.gz GFBSCOKYDPWOGI-GFCCVEGCSA-N 1 2 390.267 2.437 20 0 GEADLO COc1cc(Br)ccc1CCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000181769000 532306149 /nfs/dbraw/zinc/30/61/49/532306149.db2.gz HXXOMJHUKQJFKH-AWEZNQCLSA-N 1 2 398.345 2.142 20 0 GEADLO CS(=O)(=O)C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccccc1 ZINC000181772447 532306874 /nfs/dbraw/zinc/30/68/74/532306874.db2.gz NMFZWYFULQZVKF-QGZVFWFLSA-N 1 2 380.897 2.332 20 0 GEADLO CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000181893140 532307357 /nfs/dbraw/zinc/30/73/57/532307357.db2.gz NBONUUPEVAMUSQ-UHFFFAOYSA-N 1 2 378.313 2.261 20 0 GEADLO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000181893140 532307358 /nfs/dbraw/zinc/30/73/58/532307358.db2.gz NBONUUPEVAMUSQ-UHFFFAOYSA-N 1 2 378.313 2.261 20 0 GEADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000182227188 532310686 /nfs/dbraw/zinc/31/06/86/532310686.db2.gz PYTRDWMBFAPREY-ZDUSSCGKSA-N 1 2 389.327 2.047 20 0 GEADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000185100299 532336931 /nfs/dbraw/zinc/33/69/31/532336931.db2.gz ITKNDUGPNHIDQF-YMXBGEKHSA-N 1 2 382.917 2.222 20 0 GEADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000185100299 532336932 /nfs/dbraw/zinc/33/69/32/532336932.db2.gz ITKNDUGPNHIDQF-YMXBGEKHSA-N 1 2 382.917 2.222 20 0 GEADLO CC1(C)NC(=O)N(CC[N@@H+]2CCc3c(Br)ccc(F)c3C2)C1=O ZINC000186203974 532340068 /nfs/dbraw/zinc/34/00/68/532340068.db2.gz ZYJHARQIOZGVFK-UHFFFAOYSA-N 1 2 384.249 2.277 20 0 GEADLO CC1(C)NC(=O)N(CC[N@H+]2CCc3c(Br)ccc(F)c3C2)C1=O ZINC000186203974 532340069 /nfs/dbraw/zinc/34/00/69/532340069.db2.gz ZYJHARQIOZGVFK-UHFFFAOYSA-N 1 2 384.249 2.277 20 0 GEADLO C[NH+](C)[C@H](CNS(=O)(=O)c1cnn(CC(F)F)c1)c1ccccc1Cl ZINC000186251036 532340300 /nfs/dbraw/zinc/34/03/00/532340300.db2.gz JLIFSUIENTVCSR-CQSZACIVSA-N 1 2 392.859 2.383 20 0 GEADLO O=C(c1cc(I)c[nH]1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186408485 532340811 /nfs/dbraw/zinc/34/08/11/532340811.db2.gz PQBLEBXRLUOTJA-UHFFFAOYSA-N 1 2 396.232 2.367 20 0 GEADLO Cc1cc(Br)cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000187265800 532343779 /nfs/dbraw/zinc/34/37/79/532343779.db2.gz HRLVQGHSFIXQPI-CYBMUJFWSA-N 1 2 391.331 2.004 20 0 GEADLO CN(C(=O)c1ccc2[nH+]ccn2c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000183745874 532329031 /nfs/dbraw/zinc/32/90/31/532329031.db2.gz BSZBNAGTWHGHBC-OAHLLOKOSA-N 1 2 387.237 2.395 20 0 GEADLO CCCN(C(=O)[C@@H](C)[NH2+]C(C)(C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000183955221 532330237 /nfs/dbraw/zinc/33/02/37/532330237.db2.gz FIOVZOIOWSQJSC-ZIAGYGMSSA-N 1 2 387.571 2.090 20 0 GEADLO CC(C)(COc1ncccc1Br)NC(=O)NCCn1cc[nH+]c1 ZINC000184206544 532331370 /nfs/dbraw/zinc/33/13/70/532331370.db2.gz BKZLHNBEGAOBHA-UHFFFAOYSA-N 1 2 382.262 2.197 20 0 GEADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CC(F)(F)CO ZINC000184694000 532334576 /nfs/dbraw/zinc/33/45/76/532334576.db2.gz HMXKQQOQYPGTLC-SECBINFHSA-N 1 2 378.441 2.476 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)CCCS(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000184830660 532334860 /nfs/dbraw/zinc/33/48/60/532334860.db2.gz YWQXCOIYVGXIAL-CQSZACIVSA-N 1 2 380.432 2.249 20 0 GEADLO Cc1nc(N2CCN(C(=O)c3ccc(Br)c(O)c3)CC2)cc[nH+]1 ZINC000184950495 532336213 /nfs/dbraw/zinc/33/62/13/532336213.db2.gz RWNOZXBPGCLROW-UHFFFAOYSA-N 1 2 377.242 2.216 20 0 GEADLO COCCC[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000187244788 532343650 /nfs/dbraw/zinc/34/36/50/532343650.db2.gz NNGLSPNUWAQIPD-CZUORRHYSA-N 1 2 379.881 2.038 20 0 GEADLO COCCC[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000187244788 532343651 /nfs/dbraw/zinc/34/36/51/532343651.db2.gz NNGLSPNUWAQIPD-CZUORRHYSA-N 1 2 379.881 2.038 20 0 GEADLO O=C(Cc1ccc(F)cc1Br)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000188177431 532347167 /nfs/dbraw/zinc/34/71/67/532347167.db2.gz GSUUDMAEQGRTRW-OAHLLOKOSA-N 1 2 385.277 2.454 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC[N@@H+]1CCO ZINC000188732375 532349464 /nfs/dbraw/zinc/34/94/64/532349464.db2.gz XVAGPSJQVPNSGX-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC[N@H+]1CCO ZINC000188732375 532349465 /nfs/dbraw/zinc/34/94/65/532349465.db2.gz XVAGPSJQVPNSGX-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO CCC(=O)N1CSC[C@@H]1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188772648 532349481 /nfs/dbraw/zinc/34/94/81/532349481.db2.gz PSFIPRYOSGKKGG-MRXNPFEDSA-N 1 2 381.929 2.126 20 0 GEADLO CCC(=O)N1CSC[C@@H]1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188772648 532349482 /nfs/dbraw/zinc/34/94/82/532349482.db2.gz PSFIPRYOSGKKGG-MRXNPFEDSA-N 1 2 381.929 2.126 20 0 GEADLO C[C@@H](Sc1nncn1C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188773225 532349578 /nfs/dbraw/zinc/34/95/78/532349578.db2.gz ZAFUJLZGYKNPML-GFCCVEGCSA-N 1 2 379.917 2.124 20 0 GEADLO C[C@@H](Sc1nncn1C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188773225 532349579 /nfs/dbraw/zinc/34/95/79/532349579.db2.gz ZAFUJLZGYKNPML-GFCCVEGCSA-N 1 2 379.917 2.124 20 0 GEADLO COC(=O)C[C@@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)CCO1 ZINC000189082858 532350755 /nfs/dbraw/zinc/35/07/55/532350755.db2.gz RHIXQYMUOGYQSI-CQSZACIVSA-N 1 2 376.222 2.231 20 0 GEADLO COC(=O)C[C@@H]1C[N@@H+](CCOc2cc(F)cc(Br)c2)CCO1 ZINC000189082858 532350756 /nfs/dbraw/zinc/35/07/56/532350756.db2.gz RHIXQYMUOGYQSI-CQSZACIVSA-N 1 2 376.222 2.231 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)NCC[N@@H+]3CCCOCC3)s2)cs1 ZINC000189091133 532350793 /nfs/dbraw/zinc/35/07/93/532350793.db2.gz CYICYQLKBSHOKM-UHFFFAOYSA-N 1 2 387.552 2.181 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)NCC[N@H+]3CCCOCC3)s2)cs1 ZINC000189091133 532350794 /nfs/dbraw/zinc/35/07/94/532350794.db2.gz CYICYQLKBSHOKM-UHFFFAOYSA-N 1 2 387.552 2.181 20 0 GEADLO O=C(CCNC(=O)c1csc(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000189230821 532351403 /nfs/dbraw/zinc/35/14/03/532351403.db2.gz RQCYAIIUTUHGOP-UHFFFAOYSA-N 1 2 378.885 2.265 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189571283 532352805 /nfs/dbraw/zinc/35/28/05/532352805.db2.gz VGJQHOGGZKHZQK-HNNXBMFYSA-N 1 2 388.917 2.224 20 0 GEADLO CC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)CC1 ZINC000190426329 532355957 /nfs/dbraw/zinc/35/59/57/532355957.db2.gz MGYZLWRXVWHIGO-ZDUSSCGKSA-N 1 2 376.906 2.080 20 0 GEADLO C[C@H]1CSCC[N@H+](CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000190482805 532356284 /nfs/dbraw/zinc/35/62/84/532356284.db2.gz JROFGNVCQPQNMH-NVXWUHKLSA-N 1 2 388.599 2.020 20 0 GEADLO C[C@H]1CSCC[N@@H+](CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000190482805 532356285 /nfs/dbraw/zinc/35/62/85/532356285.db2.gz JROFGNVCQPQNMH-NVXWUHKLSA-N 1 2 388.599 2.020 20 0 GEADLO Cc1nn(C)c(C)c1S(=O)(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190655216 532357328 /nfs/dbraw/zinc/35/73/28/532357328.db2.gz PRXCQSVHOQEMLW-UHFFFAOYSA-N 1 2 382.917 2.027 20 0 GEADLO Cc1nn(C)c(C)c1S(=O)(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190655216 532357329 /nfs/dbraw/zinc/35/73/29/532357329.db2.gz PRXCQSVHOQEMLW-UHFFFAOYSA-N 1 2 382.917 2.027 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191117519 532359654 /nfs/dbraw/zinc/35/96/54/532359654.db2.gz DCMIOUJCOKICCV-UHFFFAOYSA-N 1 2 387.184 2.069 20 0 GEADLO [NH3+][C@@H]1CCCN(C(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)C1 ZINC000191341098 532360450 /nfs/dbraw/zinc/36/04/50/532360450.db2.gz AIFOVZBWTZEHMC-CQSZACIVSA-N 1 2 379.507 2.041 20 0 GEADLO CSC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000187733044 532345228 /nfs/dbraw/zinc/34/52/28/532345228.db2.gz DIZIWHYSKNTVTM-LLVKDONJSA-N 1 2 399.365 2.024 20 0 GEADLO CC(C)(C(=O)NC[C@H](O)COc1ccccc1Br)c1c[nH]c[nH+]1 ZINC000621918681 532372484 /nfs/dbraw/zinc/37/24/84/532372484.db2.gz LNQFAWHIZMYZMP-NSHDSACASA-N 1 2 382.258 2.006 20 0 GEADLO Nc1ccc(C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)cn1 ZINC000647537790 532375122 /nfs/dbraw/zinc/37/51/22/532375122.db2.gz KQWCUBYKEDJMBQ-UHFFFAOYSA-N 1 2 375.270 2.384 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(C(=O)N[C@H]3C[C@H](c4ccc(Br)cc4)C3)C[C@H]21 ZINC000463519410 532376294 /nfs/dbraw/zinc/37/62/94/532376294.db2.gz TYYQNYQQUPFTLV-DZUCGIPZSA-N 1 2 394.313 2.420 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(C(=O)N[C@H]3C[C@H](c4ccc(Br)cc4)C3)C[C@H]21 ZINC000463519410 532376301 /nfs/dbraw/zinc/37/63/01/532376301.db2.gz TYYQNYQQUPFTLV-DZUCGIPZSA-N 1 2 394.313 2.420 20 0 GEADLO COC(=O)c1nccc(N2CC[NH+](Cc3ccc(Br)s3)CC2)n1 ZINC000590570705 532377702 /nfs/dbraw/zinc/37/77/02/532377702.db2.gz WAVFPRZQFHTLHP-UHFFFAOYSA-N 1 2 397.298 2.409 20 0 GEADLO O=C1[C@H]([NH2+]Cc2nnc3n2CCCC3)CCN1c1cccc(Br)c1 ZINC000191681257 532361865 /nfs/dbraw/zinc/36/18/65/532361865.db2.gz OXGFIIJYJATOEJ-CQSZACIVSA-N 1 2 390.285 2.272 20 0 GEADLO CN1CC[N@H+](C)C[C@H]1c1noc([C@H]2COc3ccc(Br)cc32)n1 ZINC000371915311 532361962 /nfs/dbraw/zinc/36/19/62/532361962.db2.gz MBVSHRYCMFYCPN-STQMWFEESA-N 1 2 379.258 2.275 20 0 GEADLO CN1CC[N@@H+](C)C[C@H]1c1noc([C@H]2COc3ccc(Br)cc32)n1 ZINC000371915311 532361966 /nfs/dbraw/zinc/36/19/66/532361966.db2.gz MBVSHRYCMFYCPN-STQMWFEESA-N 1 2 379.258 2.275 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000515389655 532362567 /nfs/dbraw/zinc/36/25/67/532362567.db2.gz YVZHHYWIIJYUOZ-NHYWBVRUSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000515389655 532362568 /nfs/dbraw/zinc/36/25/68/532362568.db2.gz YVZHHYWIIJYUOZ-NHYWBVRUSA-N 1 2 391.269 2.051 20 0 GEADLO O=C(C[S@@](=O)Cc1[nH+]ccn1CC(F)(F)F)NCc1ccccc1F ZINC000462994024 532363728 /nfs/dbraw/zinc/36/37/28/532363728.db2.gz NNAYWSMIEHZQEW-VWLOTQADSA-N 1 2 377.363 2.150 20 0 GEADLO CCc1nnc(CS[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000589973478 532364258 /nfs/dbraw/zinc/36/42/58/532364258.db2.gz GKRFHTLVDZQQKY-CYBMUJFWSA-N 1 2 377.539 2.466 20 0 GEADLO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000647036944 532364748 /nfs/dbraw/zinc/36/47/48/532364748.db2.gz DZLHOVPZDULQSF-SMDDNHRTSA-N 1 2 382.233 2.197 20 0 GEADLO CS(=O)(=O)[C@H]1CCCC[N@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000277893495 532365532 /nfs/dbraw/zinc/36/55/32/532365532.db2.gz WCOFGKYIGUOLEV-SWLSCSKDSA-N 1 2 376.316 2.382 20 0 GEADLO CS(=O)(=O)[C@H]1CCCC[N@@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000277893495 532365538 /nfs/dbraw/zinc/36/55/38/532365538.db2.gz WCOFGKYIGUOLEV-SWLSCSKDSA-N 1 2 376.316 2.382 20 0 GEADLO O=C(C[C@@H]1CCS(=O)(=O)C1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000515470897 532366589 /nfs/dbraw/zinc/36/65/89/532366589.db2.gz GBKRSNWPMPCQPR-YOEHRIQHSA-N 1 2 384.929 2.418 20 0 GEADLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cc(OC)cc(OC)c3)sc2C1 ZINC000372022244 532367947 /nfs/dbraw/zinc/36/79/47/532367947.db2.gz RNOFHPXIFBFEDM-UHFFFAOYSA-N 1 2 383.495 2.339 20 0 GEADLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cc(OC)cc(OC)c3)sc2C1 ZINC000372022244 532367958 /nfs/dbraw/zinc/36/79/58/532367958.db2.gz RNOFHPXIFBFEDM-UHFFFAOYSA-N 1 2 383.495 2.339 20 0 GEADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C(=O)Nc2cnns2)CC1 ZINC000192033342 532378766 /nfs/dbraw/zinc/37/87/66/532378766.db2.gz VLVCJUCUVXTNSC-NSHDSACASA-N 1 2 379.873 2.035 20 0 GEADLO O=CN1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000294749584 532379227 /nfs/dbraw/zinc/37/92/27/532379227.db2.gz YVBFJSVDYAFJKX-QGZVFWFLSA-N 1 2 394.313 2.277 20 0 GEADLO O=S(=O)(NCc1ccc(N2CCOCC2)[nH+]c1)c1c(F)cccc1Cl ZINC000463692416 532380275 /nfs/dbraw/zinc/38/02/75/532380275.db2.gz FJEPHSXZLQPRRP-UHFFFAOYSA-N 1 2 385.848 2.189 20 0 GEADLO C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)CC(=O)Nc1ccccc1Br ZINC000677676673 532381012 /nfs/dbraw/zinc/38/10/12/532381012.db2.gz SFDPMPIKIFBQQX-GFCCVEGCSA-N 1 2 389.315 2.144 20 0 GEADLO C[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)CC(=O)Nc1ccccc1Br ZINC000677676673 532381018 /nfs/dbraw/zinc/38/10/18/532381018.db2.gz SFDPMPIKIFBQQX-GFCCVEGCSA-N 1 2 389.315 2.144 20 0 GEADLO COc1ccc(Cl)cc1CN1CC[NH+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000677673287 532381271 /nfs/dbraw/zinc/38/12/71/532381271.db2.gz AVVVALWNJYSALY-HNNXBMFYSA-N 1 2 386.945 2.291 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2c(Cl)cccc2I)C1 ZINC000463773016 532382483 /nfs/dbraw/zinc/38/24/83/532382483.db2.gz SQQCOYARZWGGCZ-VIFPVBQESA-N 1 2 394.640 2.005 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)c2c(Cl)cccc2I)C1 ZINC000463773016 532382491 /nfs/dbraw/zinc/38/24/91/532382491.db2.gz SQQCOYARZWGGCZ-VIFPVBQESA-N 1 2 394.640 2.005 20 0 GEADLO O=C(NCc1cc2c(c(Br)c1)OCO2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372328070 532384851 /nfs/dbraw/zinc/38/48/51/532384851.db2.gz VMSGNNOGGXERTB-LLVKDONJSA-N 1 2 378.226 2.253 20 0 GEADLO CC[C@@H](NC(=O)NC1CC[NH+](Cc2cscn2)CC1)[C@H](O)C(F)(F)F ZINC000372322044 532385041 /nfs/dbraw/zinc/38/50/41/532385041.db2.gz RRRPUVWPSUUTGD-OLZOCXBDSA-N 1 2 380.436 2.109 20 0 GEADLO CC(C)(C)N1CC[C@@H]([NH+]2CCN(c3ccc(Br)cn3)CC2)C1=O ZINC000425386587 532385477 /nfs/dbraw/zinc/38/54/77/532385477.db2.gz RWUBFKGRQKSJFD-CQSZACIVSA-N 1 2 381.318 2.366 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)c2cccc(Cl)c2O1 ZINC000463860522 532385541 /nfs/dbraw/zinc/38/55/41/532385541.db2.gz QISDHCJFIJFUOI-CQSZACIVSA-N 1 2 388.917 2.370 20 0 GEADLO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302786 532385778 /nfs/dbraw/zinc/38/57/78/532385778.db2.gz PBRYDMMUQPXKCD-WDEREUQCSA-N 1 2 381.263 2.439 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000463890066 532386909 /nfs/dbraw/zinc/38/69/09/532386909.db2.gz QUYVVRFNEAOKGN-VIFPVBQESA-N 1 2 377.304 2.278 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000463890066 532386914 /nfs/dbraw/zinc/38/69/14/532386914.db2.gz QUYVVRFNEAOKGN-VIFPVBQESA-N 1 2 377.304 2.278 20 0 GEADLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cs1 ZINC000591026381 532395649 /nfs/dbraw/zinc/39/56/49/532395649.db2.gz AOCCILDCENHDCP-OAHLLOKOSA-N 1 2 386.539 2.361 20 0 GEADLO COC(=O)c1cc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cs1 ZINC000591026381 532395655 /nfs/dbraw/zinc/39/56/55/532395655.db2.gz AOCCILDCENHDCP-OAHLLOKOSA-N 1 2 386.539 2.361 20 0 GEADLO CCCCC(=O)N1CSC[C@H]1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000558416370 532390984 /nfs/dbraw/zinc/39/09/84/532390984.db2.gz QEHKBJAVSJHQDX-AWEZNQCLSA-N 1 2 377.501 2.171 20 0 GEADLO COCC[C@H](C)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000464200102 532392233 /nfs/dbraw/zinc/39/22/33/532392233.db2.gz QIFPVKTVSIQONS-JQFCIGGWSA-N 1 2 390.933 2.056 20 0 GEADLO COCC[C@H](C)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000464200102 532392237 /nfs/dbraw/zinc/39/22/37/532392237.db2.gz QIFPVKTVSIQONS-JQFCIGGWSA-N 1 2 390.933 2.056 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1C(F)(F)F ZINC000558471242 532392260 /nfs/dbraw/zinc/39/22/60/532392260.db2.gz OEFYCVKQXBYSTQ-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1C(F)(F)F ZINC000558471242 532392264 /nfs/dbraw/zinc/39/22/64/532392264.db2.gz OEFYCVKQXBYSTQ-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N(CCO)Cc1cccc(Br)c1 ZINC000558647719 532395824 /nfs/dbraw/zinc/39/58/24/532395824.db2.gz AAEWAZZSKZVHHM-CQSZACIVSA-N 1 2 393.285 2.234 20 0 GEADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N(CCO)Cc1cccc(Br)c1 ZINC000558647719 532395831 /nfs/dbraw/zinc/39/58/31/532395831.db2.gz AAEWAZZSKZVHHM-CQSZACIVSA-N 1 2 393.285 2.234 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cn1cc(Br)ccc1=O ZINC000192255429 532398502 /nfs/dbraw/zinc/39/85/02/532398502.db2.gz VHSJRUREHWNVBU-UHFFFAOYSA-N 1 2 395.301 2.309 20 0 GEADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CSCC(F)(F)F)CC2)no1 ZINC000372535749 532396118 /nfs/dbraw/zinc/39/61/18/532396118.db2.gz XTGANKUENHVSGP-GFCCVEGCSA-N 1 2 380.436 2.486 20 0 GEADLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)CSCC(F)(F)F)CC2)no1 ZINC000372535749 532396124 /nfs/dbraw/zinc/39/61/24/532396124.db2.gz XTGANKUENHVSGP-GFCCVEGCSA-N 1 2 380.436 2.486 20 0 GEADLO COc1nc(N2CC[NH+](CCc3cscn3)CC2)ncc1Br ZINC000295070896 532400603 /nfs/dbraw/zinc/40/06/03/532400603.db2.gz QFUFDMSWWHIYPC-UHFFFAOYSA-N 1 2 384.303 2.069 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCSC(CC)(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000464573259 532399101 /nfs/dbraw/zinc/39/91/01/532399101.db2.gz UNVKERGTYPUBMS-JKSUJKDBSA-N 1 2 390.615 2.408 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCSC(CC)(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000464573259 532399104 /nfs/dbraw/zinc/39/91/04/532399104.db2.gz UNVKERGTYPUBMS-JKSUJKDBSA-N 1 2 390.615 2.408 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000426248938 532403414 /nfs/dbraw/zinc/40/34/14/532403414.db2.gz NVOGVSSCSDHOPF-UHFFFAOYSA-N 1 2 384.933 2.023 20 0 GEADLO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000372694329 532401851 /nfs/dbraw/zinc/40/18/51/532401851.db2.gz LBUCYDKLQHGKAP-JTQLQIEISA-N 1 2 391.693 2.337 20 0 GEADLO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000372694329 532401857 /nfs/dbraw/zinc/40/18/57/532401857.db2.gz LBUCYDKLQHGKAP-JTQLQIEISA-N 1 2 391.693 2.337 20 0 GEADLO Cc1nc([C@@H]2COCCN2Cc2cn3cc(Br)ccc3[nH+]2)no1 ZINC000679440322 532404214 /nfs/dbraw/zinc/40/42/14/532404214.db2.gz LQBWRWQLEKFLQB-ZDUSSCGKSA-N 1 2 378.230 2.362 20 0 GEADLO O=C1C[C@@]2(CN1)CCC[N@@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)C2 ZINC000464798740 532404398 /nfs/dbraw/zinc/40/43/98/532404398.db2.gz KJLYNZSNNUTVNX-MRXNPFEDSA-N 1 2 391.320 2.369 20 0 GEADLO O=C1C[C@@]2(CN1)CCC[N@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)C2 ZINC000464798740 532404404 /nfs/dbraw/zinc/40/44/04/532404404.db2.gz KJLYNZSNNUTVNX-MRXNPFEDSA-N 1 2 391.320 2.369 20 0 GEADLO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000464770407 532405007 /nfs/dbraw/zinc/40/50/07/532405007.db2.gz KERYCGUPFWUART-BRWVUGGUSA-N 1 2 390.615 2.264 20 0 GEADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000464770407 532405015 /nfs/dbraw/zinc/40/50/15/532405015.db2.gz KERYCGUPFWUART-BRWVUGGUSA-N 1 2 390.615 2.264 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ncc(Br)cn1 ZINC000559865822 532405681 /nfs/dbraw/zinc/40/56/81/532405681.db2.gz VKXFHJILFSEUNM-VHSXEESVSA-N 1 2 385.287 2.298 20 0 GEADLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000559865820 532406693 /nfs/dbraw/zinc/40/66/93/532406693.db2.gz VKXFHJILFSEUNM-NXEZZACHSA-N 1 2 385.287 2.298 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000295128752 532406670 /nfs/dbraw/zinc/40/66/70/532406670.db2.gz BZYZVBQGNLAMCZ-QWRGUYRKSA-N 1 2 395.257 2.332 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000295128752 532406680 /nfs/dbraw/zinc/40/66/80/532406680.db2.gz BZYZVBQGNLAMCZ-QWRGUYRKSA-N 1 2 395.257 2.332 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N(C)CC[N@@H+]1CCOC[C@@H]1C ZINC000192773861 532409187 /nfs/dbraw/zinc/40/91/87/532409187.db2.gz XMMHSILWOBSHLU-BBRMVZONSA-N 1 2 385.302 2.316 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N(C)CC[N@H+]1CCOC[C@@H]1C ZINC000192773861 532409192 /nfs/dbraw/zinc/40/91/92/532409192.db2.gz XMMHSILWOBSHLU-BBRMVZONSA-N 1 2 385.302 2.316 20 0 GEADLO C[C@H](NCc1ccc(F)cc1I)[C@H]1C[N@H+](C)CCO1 ZINC000591356027 532410278 /nfs/dbraw/zinc/41/02/78/532410278.db2.gz IKCCXLUTXNIIDC-IINYFYTJSA-N 1 2 378.229 2.239 20 0 GEADLO C[C@H](NCc1ccc(F)cc1I)[C@H]1C[N@@H+](C)CCO1 ZINC000591356027 532410281 /nfs/dbraw/zinc/41/02/81/532410281.db2.gz IKCCXLUTXNIIDC-IINYFYTJSA-N 1 2 378.229 2.239 20 0 GEADLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@@]2(CCOC2)O1 ZINC000280244188 532408830 /nfs/dbraw/zinc/40/88/30/532408830.db2.gz BAYFSZQSJFEQLC-MEBBXXQBSA-N 1 2 384.230 2.472 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@@]2(CCOC2)O1 ZINC000280244188 532408834 /nfs/dbraw/zinc/40/88/34/532408834.db2.gz BAYFSZQSJFEQLC-MEBBXXQBSA-N 1 2 384.230 2.472 20 0 GEADLO CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000625120517 532411446 /nfs/dbraw/zinc/41/14/46/532411446.db2.gz UDMIQZQBHFSFRG-UHFFFAOYSA-N 1 2 376.473 2.308 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)Cc3cccc(Br)c3)CC2)cn1 ZINC000517311697 532413901 /nfs/dbraw/zinc/41/39/01/532413901.db2.gz JTRMSNDGDBHEII-UHFFFAOYSA-N 1 2 377.286 2.070 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000295181260 532415093 /nfs/dbraw/zinc/41/50/93/532415093.db2.gz IRIOGZWLNVXOKV-MRVPVSSYSA-N 1 2 379.667 2.061 20 0 GEADLO O=C(NCCCc1nnc[nH]1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000517667523 532423373 /nfs/dbraw/zinc/42/33/73/532423373.db2.gz YMDADRLOIAWSDH-INIZCTEOSA-N 1 2 392.301 2.453 20 0 GEADLO O=S(=O)(c1cccs1)N1CC[C@H](CNc2cc(NC3CC3)nc[nH+]2)C1 ZINC000560839980 532425785 /nfs/dbraw/zinc/42/57/85/532425785.db2.gz JKKTZOSQLXVCJP-GFCCVEGCSA-N 1 2 379.511 2.235 20 0 GEADLO O=S(=O)(c1cccs1)N1CC[C@H](CNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000560839980 532425792 /nfs/dbraw/zinc/42/57/92/532425792.db2.gz JKKTZOSQLXVCJP-GFCCVEGCSA-N 1 2 379.511 2.235 20 0 GEADLO O=C(CCc1nnc[nH]1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561049113 532428968 /nfs/dbraw/zinc/42/89/68/532428968.db2.gz UETHEPPAKFRDJA-UHFFFAOYSA-N 1 2 393.245 2.018 20 0 GEADLO O=C(CCc1nc[nH]n1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561049113 532428976 /nfs/dbraw/zinc/42/89/76/532428976.db2.gz UETHEPPAKFRDJA-UHFFFAOYSA-N 1 2 393.245 2.018 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCc1ccc(F)c(Br)c1 ZINC000517890468 532429712 /nfs/dbraw/zinc/42/97/12/532429712.db2.gz SDPOCBQYQGZVMM-GFCCVEGCSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCc1ccc(F)c(Br)c1 ZINC000517890468 532429718 /nfs/dbraw/zinc/42/97/18/532429718.db2.gz SDPOCBQYQGZVMM-GFCCVEGCSA-N 1 2 388.281 2.151 20 0 GEADLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccoc2Br)CC1 ZINC000373096331 532431119 /nfs/dbraw/zinc/43/11/19/532431119.db2.gz XSPJIYWUMYXHEE-UHFFFAOYSA-N 1 2 386.290 2.105 20 0 GEADLO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)c2ccoc2Br)CC1 ZINC000373096331 532431126 /nfs/dbraw/zinc/43/11/26/532431126.db2.gz XSPJIYWUMYXHEE-UHFFFAOYSA-N 1 2 386.290 2.105 20 0 GEADLO COCC[C@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000281791531 532432290 /nfs/dbraw/zinc/43/22/90/532432290.db2.gz VQWZNVJZAWITLL-HZPDHXFCSA-N 1 2 385.302 2.100 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295330415 532435650 /nfs/dbraw/zinc/43/56/50/532435650.db2.gz HITYKRWCFLPZAE-NWDGAFQWSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295330415 532435654 /nfs/dbraw/zinc/43/56/54/532435654.db2.gz HITYKRWCFLPZAE-NWDGAFQWSA-N 1 2 376.266 2.359 20 0 GEADLO CS(=O)(=O)C[C@H]1CCCCN1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000650061431 532433083 /nfs/dbraw/zinc/43/30/83/532433083.db2.gz KMYZANHHSUIIKJ-CQSZACIVSA-N 1 2 386.315 2.496 20 0 GEADLO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000518035244 532433322 /nfs/dbraw/zinc/43/33/22/532433322.db2.gz KVXGXFUDKRXHKJ-AWEZNQCLSA-N 1 2 399.314 2.115 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2c(Br)cnn2C)CC1 ZINC000295317600 532434041 /nfs/dbraw/zinc/43/40/41/532434041.db2.gz SKFDEZMEUATQJK-LBPRGKRZSA-N 1 2 378.274 2.097 20 0 GEADLO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000466735827 532434377 /nfs/dbraw/zinc/43/43/77/532434377.db2.gz MYHRFCXHBREKLP-HONMWMINSA-N 1 2 386.233 2.481 20 0 GEADLO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000466735827 532434383 /nfs/dbraw/zinc/43/43/83/532434383.db2.gz MYHRFCXHBREKLP-HONMWMINSA-N 1 2 386.233 2.481 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000681626024 532434456 /nfs/dbraw/zinc/43/44/56/532434456.db2.gz ICSKFCHLPHCBND-ZDUSSCGKSA-N 1 2 398.301 2.098 20 0 GEADLO CCOc1cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc(Cl)c1OC ZINC000373174638 532437236 /nfs/dbraw/zinc/43/72/36/532437236.db2.gz CADHMEOBOLJNAD-AWEZNQCLSA-N 1 2 388.917 2.403 20 0 GEADLO CCOc1cc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc(Cl)c1OC ZINC000373174638 532437241 /nfs/dbraw/zinc/43/72/41/532437241.db2.gz CADHMEOBOLJNAD-AWEZNQCLSA-N 1 2 388.917 2.403 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(I)c1 ZINC000427999507 532438908 /nfs/dbraw/zinc/43/89/08/532438908.db2.gz ZNVWJBWVZAGXMS-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000467130763 532438915 /nfs/dbraw/zinc/43/89/15/532438915.db2.gz IGKFUFXGUPCNPZ-HONMWMINSA-N 1 2 386.233 2.481 20 0 GEADLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000467130763 532438926 /nfs/dbraw/zinc/43/89/26/532438926.db2.gz IGKFUFXGUPCNPZ-HONMWMINSA-N 1 2 386.233 2.481 20 0 GEADLO O=C(c1c(F)ccc(Br)c1F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000373324221 532441527 /nfs/dbraw/zinc/44/15/27/532441527.db2.gz OHILDHAFZZUPGV-SNVBAGLBSA-N 1 2 375.213 2.274 20 0 GEADLO CCS(=O)(=O)NCCC[NH+]1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000467236646 532442820 /nfs/dbraw/zinc/44/28/20/532442820.db2.gz QYAPKTMOMYGGOL-UHFFFAOYSA-N 1 2 380.341 2.445 20 0 GEADLO CC(C)(C)S(=O)(=O)CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373416899 532448653 /nfs/dbraw/zinc/44/86/53/532448653.db2.gz JREHHKSOCNTTSC-UHFFFAOYSA-N 1 2 384.464 2.121 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2cnc(Br)s2)CC1 ZINC000295469505 532450201 /nfs/dbraw/zinc/45/02/01/532450201.db2.gz IMDKDWFXBPJWNY-UHFFFAOYSA-N 1 2 389.363 2.282 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2cnc(Br)s2)CC1 ZINC000295469505 532450206 /nfs/dbraw/zinc/45/02/06/532450206.db2.gz IMDKDWFXBPJWNY-UHFFFAOYSA-N 1 2 389.363 2.282 20 0 GEADLO NS(=O)(=O)N1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000373447436 532450654 /nfs/dbraw/zinc/45/06/54/532450654.db2.gz DHUCHOZLFIHWBG-UHFFFAOYSA-N 1 2 386.930 2.175 20 0 GEADLO NS(=O)(=O)N1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000373447436 532450658 /nfs/dbraw/zinc/45/06/58/532450658.db2.gz DHUCHOZLFIHWBG-UHFFFAOYSA-N 1 2 386.930 2.175 20 0 GEADLO CC(C)(CNC(=O)NCc1ccc(Br)c(F)c1)[NH+]1CCOCC1 ZINC000194500157 532452544 /nfs/dbraw/zinc/45/25/44/532452544.db2.gz FCQKDNUZEKEEAB-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000561774679 532451733 /nfs/dbraw/zinc/45/17/33/532451733.db2.gz YWLNUJVLRFFZGH-BXUZGUMPSA-N 1 2 382.233 2.197 20 0 GEADLO O=S1(=O)CCN(C2CC[NH+](Cc3cnc(-c4ccco4)s3)CC2)CC1 ZINC000194506546 532452847 /nfs/dbraw/zinc/45/28/47/532452847.db2.gz WGLMBAXOVRXDRY-UHFFFAOYSA-N 1 2 381.523 2.098 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000373507329 532454876 /nfs/dbraw/zinc/45/48/76/532454876.db2.gz AJENUCUBQSEXEG-UHFFFAOYSA-N 1 2 380.290 2.251 20 0 GEADLO O=C(N[C@H](CO)CCF)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000650865135 532455606 /nfs/dbraw/zinc/45/56/06/532455606.db2.gz ZNQPJPHUCDEENK-CABCVRRESA-N 1 2 375.847 2.463 20 0 GEADLO O=C(N[C@H](CO)CCF)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000650865135 532455611 /nfs/dbraw/zinc/45/56/11/532455611.db2.gz ZNQPJPHUCDEENK-CABCVRRESA-N 1 2 375.847 2.463 20 0 GEADLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2cc(C(=O)OC)sc2C)CC1 ZINC000295530522 532456619 /nfs/dbraw/zinc/45/66/19/532456619.db2.gz IYRFXQBWIXDKIA-RUZDIDTESA-N 1 2 387.523 2.119 20 0 GEADLO C[C@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC[NH2+]1 ZINC000519396855 532462506 /nfs/dbraw/zinc/46/25/06/532462506.db2.gz FWOHXHWHOSODSQ-RYUDHWBXSA-N 1 2 380.495 2.271 20 0 GEADLO Cc1ccc(Br)cc1-c1nnc(NCC[NH+]2CCOCC2)s1 ZINC000468314357 532461465 /nfs/dbraw/zinc/46/14/65/532461465.db2.gz BVODLUVMAQZEQW-UHFFFAOYSA-N 1 2 383.315 3.020 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000562390951 532463865 /nfs/dbraw/zinc/46/38/65/532463865.db2.gz FBHVLAINLHTYOY-GOEBONIOSA-N 1 2 394.313 2.469 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](CO)CC(F)F)[nH+]c12 ZINC000428952935 532465106 /nfs/dbraw/zinc/46/51/06/532465106.db2.gz DWQLEEOMYAJBKE-SNVBAGLBSA-N 1 2 391.216 2.221 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2noc3ccc(Br)cc32)CC1 ZINC000519491184 532465656 /nfs/dbraw/zinc/46/56/56/532465656.db2.gz FQSYPKHSJBMUTK-LLVKDONJSA-N 1 2 393.285 2.379 20 0 GEADLO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000468327968 532462791 /nfs/dbraw/zinc/46/27/91/532462791.db2.gz HVEOLPUCXUHZGT-TZMCWYRMSA-N 1 2 399.333 2.064 20 0 GEADLO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000468327968 532462794 /nfs/dbraw/zinc/46/27/94/532462794.db2.gz HVEOLPUCXUHZGT-TZMCWYRMSA-N 1 2 399.333 2.064 20 0 GEADLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000428833216 532463097 /nfs/dbraw/zinc/46/30/97/532463097.db2.gz IXWQAZAKFYHYJF-KGLIPLIRSA-N 1 2 384.464 2.077 20 0 GEADLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000428833216 532463104 /nfs/dbraw/zinc/46/31/04/532463104.db2.gz IXWQAZAKFYHYJF-KGLIPLIRSA-N 1 2 384.464 2.077 20 0 GEADLO Cn1c[nH+]c(CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000683898520 532467888 /nfs/dbraw/zinc/46/78/88/532467888.db2.gz LWQRSXALAFHYEF-UHFFFAOYSA-N 1 2 389.308 2.233 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000593149233 532471890 /nfs/dbraw/zinc/47/18/90/532471890.db2.gz ZCIWKUOIOBSMRB-HZPDHXFCSA-N 1 2 384.307 2.377 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)sc1Cl ZINC000295722129 532472997 /nfs/dbraw/zinc/47/29/97/532472997.db2.gz LTLJCSLRDUGLEH-NSHDSACASA-N 1 2 377.919 2.482 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)COc1ccc2ccccc2c1Br ZINC000628922752 532476593 /nfs/dbraw/zinc/47/65/93/532476593.db2.gz OJALIWKEQZOADS-CQSZACIVSA-N 1 2 393.281 2.428 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)COc1ccc2ccccc2c1Br ZINC000628922752 532476598 /nfs/dbraw/zinc/47/65/98/532476598.db2.gz OJALIWKEQZOADS-CQSZACIVSA-N 1 2 393.281 2.428 20 0 GEADLO CN(C)c1ccc(CNC(=O)NC[C@@H](O)c2cccc(Br)c2)c[nH+]1 ZINC000282573785 532478565 /nfs/dbraw/zinc/47/85/65/532478565.db2.gz AUORKIWGIXUAMI-OAHLLOKOSA-N 1 2 393.285 2.443 20 0 GEADLO O=C(COc1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000468876919 532478942 /nfs/dbraw/zinc/47/89/42/532478942.db2.gz IAUHCMGJDFFKEM-ZDUSSCGKSA-N 1 2 380.794 2.176 20 0 GEADLO COCC1(CS(=O)(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCC1 ZINC000651663308 532484541 /nfs/dbraw/zinc/48/45/41/532484541.db2.gz GUBUSYIEYRFLKG-UHFFFAOYSA-N 1 2 386.945 2.434 20 0 GEADLO COCC1(CS(=O)(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCC1 ZINC000651663308 532484545 /nfs/dbraw/zinc/48/45/45/532484545.db2.gz GUBUSYIEYRFLKG-UHFFFAOYSA-N 1 2 386.945 2.434 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1cc2n(n1)CCCO2 ZINC000469002866 532484707 /nfs/dbraw/zinc/48/47/07/532484707.db2.gz PIUKNTPQWLAUFR-UHFFFAOYSA-N 1 2 376.214 2.006 20 0 GEADLO O=C1CO[C@@H]2CC[N@@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@@H]2N1 ZINC000374046503 532486367 /nfs/dbraw/zinc/48/63/67/532486367.db2.gz VPWKZGANMTUZRX-LSDHHAIUSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@@H]2CC[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@@H]2N1 ZINC000374046503 532486373 /nfs/dbraw/zinc/48/63/73/532486373.db2.gz VPWKZGANMTUZRX-LSDHHAIUSA-N 1 2 392.253 2.193 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Br)[C@H]1C[N@H+](C)CCO1 ZINC000684913643 532486846 /nfs/dbraw/zinc/48/68/46/532486846.db2.gz MWFMRPMDESWYEZ-JOYOIKCWSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Br)[C@H]1C[N@@H+](C)CCO1 ZINC000684913643 532486862 /nfs/dbraw/zinc/48/68/62/532486862.db2.gz MWFMRPMDESWYEZ-JOYOIKCWSA-N 1 2 397.722 2.100 20 0 GEADLO NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCSC[C@@H]2c2cccs2)c1 ZINC000374105187 532489370 /nfs/dbraw/zinc/48/93/70/532489370.db2.gz GHVMYVHSOAUKTJ-CQSZACIVSA-N 1 2 397.547 2.124 20 0 GEADLO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCSC[C@@H]2c2cccs2)c1 ZINC000374105187 532489376 /nfs/dbraw/zinc/48/93/76/532489376.db2.gz GHVMYVHSOAUKTJ-CQSZACIVSA-N 1 2 397.547 2.124 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000430130573 532491153 /nfs/dbraw/zinc/49/11/53/532491153.db2.gz WQEOIWPXPYHTIP-LSDHHAIUSA-N 1 2 392.297 2.175 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1c(Cl)cncc1Cl ZINC000629431497 532492100 /nfs/dbraw/zinc/49/21/00/532492100.db2.gz FWDDVBAZCQIFEA-ZDUSSCGKSA-N 1 2 381.263 2.414 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1c(Cl)cncc1Cl ZINC000629431497 532492107 /nfs/dbraw/zinc/49/21/07/532492107.db2.gz FWDDVBAZCQIFEA-ZDUSSCGKSA-N 1 2 381.263 2.414 20 0 GEADLO COc1ccc(Br)c(CN(C)C(=O)[C@@H](C)[NH+]2CCN(C)CC2)c1 ZINC000430194178 532493983 /nfs/dbraw/zinc/49/39/83/532493983.db2.gz IBIJHHOOGJNWFV-CYBMUJFWSA-N 1 2 384.318 2.052 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(Br)c2F)C[C@H]1C ZINC000430281897 532495687 /nfs/dbraw/zinc/49/56/87/532495687.db2.gz YTTVLUVJRVWLJJ-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(Br)c2F)C[C@H]1C ZINC000430281897 532495691 /nfs/dbraw/zinc/49/56/91/532495691.db2.gz YTTVLUVJRVWLJJ-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000373823815 532474169 /nfs/dbraw/zinc/47/41/69/532474169.db2.gz OXJWTOFIWCPQSV-UONOGXRCSA-N 1 2 397.299 2.352 20 0 GEADLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)CCO2)c1cccs1 ZINC000521002267 532503923 /nfs/dbraw/zinc/50/39/23/532503923.db2.gz VKBRHPQQHNBRJL-CQSZACIVSA-N 1 2 380.491 2.295 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2OC)[C@@H](C)C1 ZINC000563434244 532504688 /nfs/dbraw/zinc/50/46/88/532504688.db2.gz BBYWTOXATGXJEL-JTQLQIEISA-N 1 2 395.294 2.312 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2OC)[C@@H](C)C1 ZINC000563434244 532504694 /nfs/dbraw/zinc/50/46/94/532504694.db2.gz BBYWTOXATGXJEL-JTQLQIEISA-N 1 2 395.294 2.312 20 0 GEADLO C[C@H](NCC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)c1csnn1 ZINC000563605354 532507372 /nfs/dbraw/zinc/50/73/72/532507372.db2.gz XGJGGVCVTKVAHB-ZDUSSCGKSA-N 1 2 379.917 2.187 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCOc2ccc(Br)cc21 ZINC000652401267 532510608 /nfs/dbraw/zinc/51/06/08/532510608.db2.gz WOEIBAIRYAGVPY-QLFBSQMISA-N 1 2 395.297 2.295 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCOc2ccc(Br)cc21 ZINC000652401267 532510613 /nfs/dbraw/zinc/51/06/13/532510613.db2.gz WOEIBAIRYAGVPY-QLFBSQMISA-N 1 2 395.297 2.295 20 0 GEADLO Cc1c[nH]c(C(C)(C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)[nH+]1 ZINC000652409187 532512704 /nfs/dbraw/zinc/51/27/04/532512704.db2.gz VDPLRONSXAXBTN-UHFFFAOYSA-N 1 2 390.918 2.105 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)c1ccc(Cl)cc1 ZINC000283005404 532512999 /nfs/dbraw/zinc/51/29/99/532512999.db2.gz RMVDHFDNPCCKHM-HOTGVXAUSA-N 1 2 384.929 2.274 20 0 GEADLO [NH3+]C[C@@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C1 ZINC000238088271 532516673 /nfs/dbraw/zinc/51/66/73/532516673.db2.gz CVZBQLFGDXTKJH-ZDUSSCGKSA-N 1 2 379.507 2.360 20 0 GEADLO COCc1ccc(C[N@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000283108034 532518647 /nfs/dbraw/zinc/51/86/47/532518647.db2.gz UGRYYSXJWIAQHT-UHFFFAOYSA-N 1 2 376.469 2.324 20 0 GEADLO COCc1ccc(C[N@@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000283108034 532518654 /nfs/dbraw/zinc/51/86/54/532518654.db2.gz UGRYYSXJWIAQHT-UHFFFAOYSA-N 1 2 376.469 2.324 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C(=O)c2ccc(Cl)s2)cn1 ZINC000652013537 532500935 /nfs/dbraw/zinc/50/09/35/532500935.db2.gz CFWOOSQURQZTAT-UHFFFAOYSA-N 1 2 377.857 2.243 20 0 GEADLO O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000374388929 532501139 /nfs/dbraw/zinc/50/11/39/532501139.db2.gz DVTGSFLCDOXMFF-MRXNPFEDSA-N 1 2 376.913 2.122 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282859440 532501288 /nfs/dbraw/zinc/50/12/88/532501288.db2.gz OULKBHAMWKDJFS-PWSUYJOCSA-N 1 2 396.289 2.105 20 0 GEADLO C[C@@H](Cc1ccsc1)[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000525889745 532535578 /nfs/dbraw/zinc/53/55/78/532535578.db2.gz FIXWIUNAUZRVRE-NSHDSACASA-N 1 2 385.477 2.130 20 0 GEADLO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000246251863 532535641 /nfs/dbraw/zinc/53/56/41/532535641.db2.gz SRTLKLRITQHBAE-HOCLYGCPSA-N 1 2 383.286 2.452 20 0 GEADLO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000246251863 532535647 /nfs/dbraw/zinc/53/56/47/532535647.db2.gz SRTLKLRITQHBAE-HOCLYGCPSA-N 1 2 383.286 2.452 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1CCn2c(C)c(C)[nH+]c2C1 ZINC000375132036 532536367 /nfs/dbraw/zinc/53/63/67/532536367.db2.gz PDDXWQCYJSFQDI-UHFFFAOYSA-N 1 2 383.857 2.144 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)cc1Br ZINC000470789267 532536912 /nfs/dbraw/zinc/53/69/12/532536912.db2.gz JLXYFACUGAVCBM-UHFFFAOYSA-N 1 2 398.238 2.000 20 0 GEADLO O=C1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c2cc[nH+]cc2N1 ZINC000470788976 532537252 /nfs/dbraw/zinc/53/72/52/532537252.db2.gz IOBRHZLKSVIEFY-UHFFFAOYSA-N 1 2 375.303 2.387 20 0 GEADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000470939846 532539001 /nfs/dbraw/zinc/53/90/01/532539001.db2.gz ISAJYKZIGACKPT-SCZZXKLOSA-N 1 2 399.822 2.199 20 0 GEADLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000470939846 532539004 /nfs/dbraw/zinc/53/90/04/532539004.db2.gz ISAJYKZIGACKPT-SCZZXKLOSA-N 1 2 399.822 2.199 20 0 GEADLO C[C@@H]1OCC[C@@]12C[N@@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)CCO2 ZINC000470932107 532539116 /nfs/dbraw/zinc/53/91/16/532539116.db2.gz NSHFSSSCIWBUSH-QANKJYHBSA-N 1 2 395.297 2.434 20 0 GEADLO C[C@@H]1OCC[C@@]12C[N@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)CCO2 ZINC000470932107 532539120 /nfs/dbraw/zinc/53/91/20/532539120.db2.gz NSHFSSSCIWBUSH-QANKJYHBSA-N 1 2 395.297 2.434 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)Cc1ccnn1C ZINC000471070951 532540306 /nfs/dbraw/zinc/54/03/06/532540306.db2.gz KBRRIOJUVFYXDT-NSHDSACASA-N 1 2 398.248 2.484 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)Cc1ccnn1C ZINC000471070951 532540311 /nfs/dbraw/zinc/54/03/11/532540311.db2.gz KBRRIOJUVFYXDT-NSHDSACASA-N 1 2 398.248 2.484 20 0 GEADLO Cn1cc(NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)cn1 ZINC000653698573 532541204 /nfs/dbraw/zinc/54/12/04/532541204.db2.gz YNPRTVZRMWKTKD-UHFFFAOYSA-N 1 2 381.234 2.058 20 0 GEADLO COC[C@@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000653698517 532541571 /nfs/dbraw/zinc/54/15/71/532541571.db2.gz MBXSYSGKGIGBTO-GFCCVEGCSA-N 1 2 399.289 2.181 20 0 GEADLO CCN1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000471114542 532542082 /nfs/dbraw/zinc/54/20/82/532542082.db2.gz VPGDDNKTBPHXGI-LSDHHAIUSA-N 1 2 392.301 2.077 20 0 GEADLO O[C@@H](COC[C@H]1CCCO1)C[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000653837019 532542913 /nfs/dbraw/zinc/54/29/13/532542913.db2.gz MGMSENKPEAMAFT-ZIAGYGMSSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@@H](COC[C@H]1CCCO1)C[N@H+]1CCOc2cccc(Br)c2C1 ZINC000653837019 532542917 /nfs/dbraw/zinc/54/29/17/532542917.db2.gz MGMSENKPEAMAFT-ZIAGYGMSSA-N 1 2 386.286 2.200 20 0 GEADLO CCOC(=O)C1(O)CC[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000471175678 532544845 /nfs/dbraw/zinc/54/48/45/532544845.db2.gz FNLGXYYZXSCWGK-DEOSSOPVSA-N 1 2 394.320 2.491 20 0 GEADLO Cc1cccn2cc(CS(=O)(=O)Cc3c(Br)cnn3C)[nH+]c12 ZINC000630440527 532519726 /nfs/dbraw/zinc/51/97/26/532519726.db2.gz CYUUOTWHNFZCAT-UHFFFAOYSA-N 1 2 383.271 2.254 20 0 GEADLO CC(C)(C(=O)NC[C@@H]1C[NH+]2CCN1CC2)c1csc(-c2cccs2)n1 ZINC000283518938 532544953 /nfs/dbraw/zinc/54/49/53/532544953.db2.gz MYGLRDNEHWYNRU-CYBMUJFWSA-N 1 2 376.551 2.265 20 0 GEADLO CC(C)(CNC(=O)c1ccc2cncc(Br)c2n1)[NH+]1CCOCC1 ZINC000630464125 532520891 /nfs/dbraw/zinc/52/08/91/532520891.db2.gz FTJOQDDXLBDDOD-UHFFFAOYSA-N 1 2 393.285 2.233 20 0 GEADLO O=C(NCc1nc(C[N@H+]2CCSC[C@@H]2CCO)cs1)c1ccccc1 ZINC000470190474 532522429 /nfs/dbraw/zinc/52/24/29/532522429.db2.gz MVWPMLGMYZQINU-INIZCTEOSA-N 1 2 377.535 2.373 20 0 GEADLO O=C(NCc1nc(C[N@@H+]2CCSC[C@@H]2CCO)cs1)c1ccccc1 ZINC000470190474 532522433 /nfs/dbraw/zinc/52/24/33/532522433.db2.gz MVWPMLGMYZQINU-INIZCTEOSA-N 1 2 377.535 2.373 20 0 GEADLO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522313847 532523768 /nfs/dbraw/zinc/52/37/68/532523768.db2.gz LRTKSRIPZZXXNU-NWDGAFQWSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522313847 532523775 /nfs/dbraw/zinc/52/37/75/532523775.db2.gz LRTKSRIPZZXXNU-NWDGAFQWSA-N 1 2 389.265 2.192 20 0 GEADLO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000564494259 532524822 /nfs/dbraw/zinc/52/48/22/532524822.db2.gz DPISGZLXSGZSPY-GFCCVEGCSA-N 1 2 391.269 2.347 20 0 GEADLO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000564494259 532524824 /nfs/dbraw/zinc/52/48/24/532524824.db2.gz DPISGZLXSGZSPY-GFCCVEGCSA-N 1 2 391.269 2.347 20 0 GEADLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245932764 532528338 /nfs/dbraw/zinc/52/83/38/532528338.db2.gz ZUBALGCTYRWTRI-XJKSGUPXSA-N 1 2 396.329 2.460 20 0 GEADLO Cc1c([C@H](C)[NH2+][C@H]2CCCNC2=O)nnn1-c1cccc(Br)c1 ZINC000296560337 532528368 /nfs/dbraw/zinc/52/83/68/532528368.db2.gz SFQDALDRSZYQIT-HZMBPMFUSA-N 1 2 378.274 2.267 20 0 GEADLO CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245932764 532528342 /nfs/dbraw/zinc/52/83/42/532528342.db2.gz ZUBALGCTYRWTRI-XJKSGUPXSA-N 1 2 396.329 2.460 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)CCOc2cccc(Br)c2)CCO1 ZINC000470453890 532528637 /nfs/dbraw/zinc/52/86/37/532528637.db2.gz YISHVFMQSPLKFF-OAHLLOKOSA-N 1 2 385.302 2.445 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)CCOc2cccc(Br)c2)CCO1 ZINC000470453890 532528640 /nfs/dbraw/zinc/52/86/40/532528640.db2.gz YISHVFMQSPLKFF-OAHLLOKOSA-N 1 2 385.302 2.445 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)[C@H]2COc3ccc(Br)cc32)CCO1 ZINC000470454041 532528664 /nfs/dbraw/zinc/52/86/64/532528664.db2.gz SCNGTPWSSFEARK-ZFWWWQNUSA-N 1 2 383.286 2.152 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)[C@H]2COc3ccc(Br)cc32)CCO1 ZINC000470454041 532528668 /nfs/dbraw/zinc/52/86/68/532528668.db2.gz SCNGTPWSSFEARK-ZFWWWQNUSA-N 1 2 383.286 2.152 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000245967279 532529683 /nfs/dbraw/zinc/52/96/83/532529683.db2.gz VRJAKJDBCDIIPE-XJKSGUPXSA-N 1 2 383.286 2.463 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000245967279 532529687 /nfs/dbraw/zinc/52/96/87/532529687.db2.gz VRJAKJDBCDIIPE-XJKSGUPXSA-N 1 2 383.286 2.463 20 0 GEADLO CCOc1ccc(Br)cc1NC(=O)C(=O)NCc1[nH+]ccn1CC ZINC000296607220 532529847 /nfs/dbraw/zinc/52/98/47/532529847.db2.gz VWYDEBIBSXNJHS-UHFFFAOYSA-N 1 2 395.257 2.319 20 0 GEADLO CSc1cc(N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)nc(SC)n1 ZINC000564740149 532530827 /nfs/dbraw/zinc/53/08/27/532530827.db2.gz JGIKUBSPIGFZBP-LLVKDONJSA-N 1 2 378.527 2.257 20 0 GEADLO C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246210791 532533923 /nfs/dbraw/zinc/53/39/23/532533923.db2.gz YIJMJGWSDVBQCR-BFHYXJOUSA-N 1 2 384.464 2.075 20 0 GEADLO C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246210791 532533931 /nfs/dbraw/zinc/53/39/31/532533931.db2.gz YIJMJGWSDVBQCR-BFHYXJOUSA-N 1 2 384.464 2.075 20 0 GEADLO CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000283624344 532550033 /nfs/dbraw/zinc/55/00/33/532550033.db2.gz HOWMOSNEHKWPOV-WFASDCNBSA-N 1 2 375.922 2.065 20 0 GEADLO COCCOc1ccc(S(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000471478586 532550866 /nfs/dbraw/zinc/55/08/66/532550866.db2.gz BYEBKOSOGJYUHM-UHFFFAOYSA-N 1 2 378.372 2.445 20 0 GEADLO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000432994418 532552019 /nfs/dbraw/zinc/55/20/19/532552019.db2.gz UYNKBSGQLGCRKR-SNVBAGLBSA-N 1 2 392.257 2.487 20 0 GEADLO O=C(C[NH+]1CCN(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1)N1CCCC1 ZINC000527696922 532552460 /nfs/dbraw/zinc/55/24/60/532552460.db2.gz LYJQYHDIIFRTER-UHFFFAOYSA-N 1 2 384.307 2.303 20 0 GEADLO C[N@H+](Cc1ccc(Br)o1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595287195 532552833 /nfs/dbraw/zinc/55/28/33/532552833.db2.gz MJBLDYSCTRCXCA-GFCCVEGCSA-N 1 2 387.274 2.417 20 0 GEADLO C[N@@H+](Cc1ccc(Br)o1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595287195 532552834 /nfs/dbraw/zinc/55/28/34/532552834.db2.gz MJBLDYSCTRCXCA-GFCCVEGCSA-N 1 2 387.274 2.417 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)[C@@H](C)C1 ZINC000248644446 532553939 /nfs/dbraw/zinc/55/39/39/532553939.db2.gz FLASSDMPKVZNQL-UWVGGRQHSA-N 1 2 385.288 2.208 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)[C@@H](C)C1 ZINC000248644446 532553943 /nfs/dbraw/zinc/55/39/43/532553943.db2.gz FLASSDMPKVZNQL-UWVGGRQHSA-N 1 2 385.288 2.208 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1Cl ZINC000248652734 532554966 /nfs/dbraw/zinc/55/49/66/532554966.db2.gz OBDYULJBILIBKN-QWRGUYRKSA-N 1 2 397.324 2.078 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1Cl ZINC000248652734 532554973 /nfs/dbraw/zinc/55/49/73/532554973.db2.gz OBDYULJBILIBKN-QWRGUYRKSA-N 1 2 397.324 2.078 20 0 GEADLO C[C@]1(Br)C[C@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000527774921 532555278 /nfs/dbraw/zinc/55/52/78/532555278.db2.gz VRZSKMCURUTYPE-YJBOKZPZSA-N 1 2 394.313 2.379 20 0 GEADLO C[C@H]1CN(c2ccc(CNS(=O)(=O)CCC(C)(F)F)c[nH+]2)C[C@H](C)O1 ZINC000631753748 532558318 /nfs/dbraw/zinc/55/83/18/532558318.db2.gz SNQYYMXUMUKWOG-STQMWFEESA-N 1 2 377.457 2.160 20 0 GEADLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000375455989 532559736 /nfs/dbraw/zinc/55/97/36/532559736.db2.gz GCZFWCDKXVHRJI-NSHDSACASA-N 1 2 380.294 2.440 20 0 GEADLO C[C@@]1(Br)C[C@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000528266328 532561165 /nfs/dbraw/zinc/56/11/65/532561165.db2.gz JFFJIJSRWIHKAU-MAUKXSAKSA-N 1 2 397.313 2.187 20 0 GEADLO CCCN1CCC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1=O ZINC000433263383 532561476 /nfs/dbraw/zinc/56/14/76/532561476.db2.gz VFJXBGHGMXSRNY-INIZCTEOSA-N 1 2 394.313 2.499 20 0 GEADLO CCCN1CCC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1=O ZINC000433263383 532561482 /nfs/dbraw/zinc/56/14/82/532561482.db2.gz VFJXBGHGMXSRNY-INIZCTEOSA-N 1 2 394.313 2.499 20 0 GEADLO O=C(Cc1csc(CCC(F)(F)F)n1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000631773571 532561819 /nfs/dbraw/zinc/56/18/19/532561819.db2.gz NCDCENXEOYTWED-ZDUSSCGKSA-N 1 2 377.432 2.114 20 0 GEADLO Cc1cc(C)c(NC(=O)C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000375508956 532562612 /nfs/dbraw/zinc/56/26/12/532562612.db2.gz CUJXUPQJZQLFBX-GHMZBOCLSA-N 1 2 377.794 2.491 20 0 GEADLO Cc1cc(C)c(NC(=O)C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000375508956 532562616 /nfs/dbraw/zinc/56/26/16/532562616.db2.gz CUJXUPQJZQLFBX-GHMZBOCLSA-N 1 2 377.794 2.491 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2c[nH]nc2C(F)(F)F)c1C ZINC000631837998 532564092 /nfs/dbraw/zinc/56/40/92/532564092.db2.gz YNMJRXJEVOGZJA-UHFFFAOYSA-N 1 2 378.376 2.270 20 0 GEADLO COC(=O)CCN1CC[C@H]([N@@H+]2CCc3cc(Br)cc(C)c3C2)C1=O ZINC000595421390 532564305 /nfs/dbraw/zinc/56/43/05/532564305.db2.gz HXMRYJLFMGLKBH-INIZCTEOSA-N 1 2 395.297 2.280 20 0 GEADLO COC(=O)CCN1CC[C@H]([N@H+]2CCc3cc(Br)cc(C)c3C2)C1=O ZINC000595421390 532564310 /nfs/dbraw/zinc/56/43/10/532564310.db2.gz HXMRYJLFMGLKBH-INIZCTEOSA-N 1 2 395.297 2.280 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000433362452 532564488 /nfs/dbraw/zinc/56/44/88/532564488.db2.gz JVCDWNURAQKSKO-LBPRGKRZSA-N 1 2 381.325 2.476 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1Cl ZINC000433351554 532564869 /nfs/dbraw/zinc/56/48/69/532564869.db2.gz HCUXNYMRYNEZDW-NWDGAFQWSA-N 1 2 381.325 2.377 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1Cl ZINC000433351554 532564871 /nfs/dbraw/zinc/56/48/71/532564871.db2.gz HCUXNYMRYNEZDW-NWDGAFQWSA-N 1 2 381.325 2.377 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000433364441 532565763 /nfs/dbraw/zinc/56/57/63/532565763.db2.gz UIINJBIJZSSBAB-GFCCVEGCSA-N 1 2 381.325 2.476 20 0 GEADLO CCC[N@@H+](CC(=O)OC)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000472169320 532566237 /nfs/dbraw/zinc/56/62/37/532566237.db2.gz GRFQYHVSHIKZBR-ZDUSSCGKSA-N 1 2 378.238 2.213 20 0 GEADLO CCC[N@H+](CC(=O)OC)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000472169320 532566244 /nfs/dbraw/zinc/56/62/44/532566244.db2.gz GRFQYHVSHIKZBR-ZDUSSCGKSA-N 1 2 378.238 2.213 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000471311839 532548417 /nfs/dbraw/zinc/54/84/17/532548417.db2.gz MPHOFMCLCSAQNQ-LSDHHAIUSA-N 1 2 388.555 2.021 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000471311839 532548420 /nfs/dbraw/zinc/54/84/20/532548420.db2.gz MPHOFMCLCSAQNQ-LSDHHAIUSA-N 1 2 388.555 2.021 20 0 GEADLO O=S(=O)([C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1)N1CCOCC1 ZINC000432918611 532549156 /nfs/dbraw/zinc/54/91/56/532549156.db2.gz QGODWVGBYFXEJU-ZDUSSCGKSA-N 1 2 398.472 2.393 20 0 GEADLO O=S(=O)([C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1)N1CCOCC1 ZINC000432918611 532549161 /nfs/dbraw/zinc/54/91/61/532549161.db2.gz QGODWVGBYFXEJU-ZDUSSCGKSA-N 1 2 398.472 2.393 20 0 GEADLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@H](O)C(F)(F)F ZINC000631237494 532549710 /nfs/dbraw/zinc/54/97/10/532549710.db2.gz VOELMEYVZGBJLG-PELKAZGASA-N 1 2 379.180 2.431 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000297335859 532582433 /nfs/dbraw/zinc/58/24/33/532582433.db2.gz IFKFAMLXXYWSPK-UHFFFAOYSA-N 1 2 384.889 2.090 20 0 GEADLO COC(=O)[C@H](NCC(C)(C)[NH+]1CCOCC1)c1ccccc1Br ZINC000596041963 532582681 /nfs/dbraw/zinc/58/26/81/532582681.db2.gz OYIHFZAPZYHCHL-OAHLLOKOSA-N 1 2 385.302 2.364 20 0 GEADLO CCN1C(=O)[C@@H]2CN(c3cc[nH+]c4c(Br)cccc34)CCN2C1=O ZINC000375866959 532584758 /nfs/dbraw/zinc/58/47/58/532584758.db2.gz BOJVWCUWPKLQQF-AWEZNQCLSA-N 1 2 389.253 2.470 20 0 GEADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3C[C@@]3(C)Br)CC2)c1 ZINC000528842799 532584905 /nfs/dbraw/zinc/58/49/05/532584905.db2.gz DZENQSGQBBLTDY-SJLPKXTDSA-N 1 2 397.313 2.392 20 0 GEADLO NC(=O)C1CC[NH+](Cc2c(Br)cncc2Br)CC1 ZINC000284300844 532585541 /nfs/dbraw/zinc/58/55/41/532585541.db2.gz VAMBJFHJZLIRBL-UHFFFAOYSA-N 1 2 377.080 2.304 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000375899796 532585759 /nfs/dbraw/zinc/58/57/59/532585759.db2.gz FANTUBPWVAKXQU-AWEZNQCLSA-N 1 2 377.242 2.040 20 0 GEADLO CC(C)(C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000528881830 532586118 /nfs/dbraw/zinc/58/61/18/532586118.db2.gz ZQQHCCXWXUWFQQ-HZPDHXFCSA-N 1 2 386.323 2.169 20 0 GEADLO COC(=O)c1ccc(C[NH+]2CCN(c3ncccn3)CC2)c(Br)c1 ZINC000284492088 532596002 /nfs/dbraw/zinc/59/60/02/532596002.db2.gz XBGFMNAOVRGPAM-UHFFFAOYSA-N 1 2 391.269 2.348 20 0 GEADLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)c1ccc(Br)cn1 ZINC000284346037 532588569 /nfs/dbraw/zinc/58/85/69/532588569.db2.gz XYCSFNDCCMODIZ-CQDKDKBSSA-N 1 2 383.290 2.020 20 0 GEADLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1ccc(Br)cn1 ZINC000284346037 532588574 /nfs/dbraw/zinc/58/85/74/532588574.db2.gz XYCSFNDCCMODIZ-CQDKDKBSSA-N 1 2 383.290 2.020 20 0 GEADLO COC(=O)c1nccc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000596169786 532589599 /nfs/dbraw/zinc/58/95/99/532589599.db2.gz VJYUPKWICQPJEG-UHFFFAOYSA-N 1 2 391.269 2.348 20 0 GEADLO Cc1csc(-c2ccc(S(=O)(=O)NCCC[NH+]3CCOCC3)cc2)n1 ZINC000655462515 532589733 /nfs/dbraw/zinc/58/97/33/532589733.db2.gz RCYIOMPOEMMFMF-UHFFFAOYSA-N 1 2 381.523 2.119 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262344838 532590543 /nfs/dbraw/zinc/59/05/43/532590543.db2.gz TWODHFNLTRFMBK-ZDUSSCGKSA-N 1 2 375.281 2.062 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000434275299 532590677 /nfs/dbraw/zinc/59/06/77/532590677.db2.gz HKBOVTJYOTZTTL-LBPRGKRZSA-N 1 2 391.299 2.129 20 0 GEADLO Cc1nocc1S(=O)(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000632206452 532590829 /nfs/dbraw/zinc/59/08/29/532590829.db2.gz KSRKHOCCBMVVCJ-UHFFFAOYSA-N 1 2 399.270 2.223 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2csc(CO)n2)c2ccc(Cl)cc2)C1 ZINC000632222494 532592074 /nfs/dbraw/zinc/59/20/74/532592074.db2.gz ADCOQRNAIOTHCF-GDBMZVCRSA-N 1 2 381.885 2.091 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2csc(CO)n2)c2ccc(Cl)cc2)C1 ZINC000632222494 532592082 /nfs/dbraw/zinc/59/20/82/532592082.db2.gz ADCOQRNAIOTHCF-GDBMZVCRSA-N 1 2 381.885 2.091 20 0 GEADLO Cc1c(Br)cccc1CS(=O)(=O)NCC[NH+]1CCSCC1 ZINC000655505995 532592970 /nfs/dbraw/zinc/59/29/70/532592970.db2.gz LEJNOLFDNLXNNH-UHFFFAOYSA-N 1 2 393.372 2.226 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000631962692 532571129 /nfs/dbraw/zinc/57/11/29/532571129.db2.gz OKBFGIALRVAEEB-QMTHXVAHSA-N 1 2 379.309 2.231 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000631962692 532571133 /nfs/dbraw/zinc/57/11/33/532571133.db2.gz OKBFGIALRVAEEB-QMTHXVAHSA-N 1 2 379.309 2.231 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)[nH]2)CC1 ZINC000375665804 532573952 /nfs/dbraw/zinc/57/39/52/532573952.db2.gz OCXXOCBWCSRSGO-UHFFFAOYSA-N 1 2 382.917 2.491 20 0 GEADLO C[C@]1(CO)C[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C[C@@]1(C)CO ZINC000528749114 532577379 /nfs/dbraw/zinc/57/73/79/532577379.db2.gz ABZQLZPEPHFYOG-CALCHBBNSA-N 1 2 381.523 2.123 20 0 GEADLO C[C@]1(CO)C[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C[C@@]1(C)CO ZINC000528749114 532577383 /nfs/dbraw/zinc/57/73/83/532577383.db2.gz ABZQLZPEPHFYOG-CALCHBBNSA-N 1 2 381.523 2.123 20 0 GEADLO COC(=O)CC[NH+]1CCN(S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC000565825265 532579419 /nfs/dbraw/zinc/57/94/19/532579419.db2.gz FUOCCDFZZPVVSH-UHFFFAOYSA-N 1 2 395.308 2.171 20 0 GEADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000262015080 532580754 /nfs/dbraw/zinc/58/07/54/532580754.db2.gz MRODBRZBLUDIPY-LBPRGKRZSA-N 1 2 375.281 2.062 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2cc(F)ccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000632500869 532615157 /nfs/dbraw/zinc/61/51/57/532615157.db2.gz FOHGDAREJFZQQJ-HUUCEWRRSA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)CCc2ccc(Cl)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000632501564 532615411 /nfs/dbraw/zinc/61/54/11/532615411.db2.gz DBKHTZRCYPKEDT-IAGOWNOFSA-N 1 2 386.945 2.301 20 0 GEADLO COc1cc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc(Br)c1OC ZINC000263107553 532615448 /nfs/dbraw/zinc/61/54/48/532615448.db2.gz ACIPQZYIEJLGFN-SNVBAGLBSA-N 1 2 379.201 2.080 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)c2cc(F)ccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000632500868 532615423 /nfs/dbraw/zinc/61/54/23/532615423.db2.gz FOHGDAREJFZQQJ-GJZGRUSLSA-N 1 2 376.881 2.257 20 0 GEADLO COc1cc(Br)cc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000284736816 532615794 /nfs/dbraw/zinc/61/57/94/532615794.db2.gz IPGKVOPJHRKGHR-CABCVRRESA-N 1 2 384.274 2.395 20 0 GEADLO COc1cc(Br)cc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000284736816 532615802 /nfs/dbraw/zinc/61/58/02/532615802.db2.gz IPGKVOPJHRKGHR-CABCVRRESA-N 1 2 384.274 2.395 20 0 GEADLO C[N@@H+](Cc1nnnn1CC(F)(F)F)C[C@H](O)c1cccc(Br)c1 ZINC000297988703 532616101 /nfs/dbraw/zinc/61/61/01/532616101.db2.gz AEXFUFFOFBGLNN-NSHDSACASA-N 1 2 394.195 2.163 20 0 GEADLO C[N@H+](Cc1nnnn1CC(F)(F)F)C[C@H](O)c1cccc(Br)c1 ZINC000297988703 532616105 /nfs/dbraw/zinc/61/61/05/532616105.db2.gz AEXFUFFOFBGLNN-NSHDSACASA-N 1 2 394.195 2.163 20 0 GEADLO CCS(=O)(=O)N1CC[N@H+](Cc2cc(OC)c(OC)cc2SC)[C@H](C)C1 ZINC000566529102 532616326 /nfs/dbraw/zinc/61/63/26/532616326.db2.gz HXYLQUOBTROYMM-CYBMUJFWSA-N 1 2 388.555 2.282 20 0 GEADLO CCS(=O)(=O)N1CC[N@@H+](Cc2cc(OC)c(OC)cc2SC)[C@H](C)C1 ZINC000566529102 532616329 /nfs/dbraw/zinc/61/63/29/532616329.db2.gz HXYLQUOBTROYMM-CYBMUJFWSA-N 1 2 388.555 2.282 20 0 GEADLO CCCCN(CCCC)S(=O)(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000632502925 532617077 /nfs/dbraw/zinc/61/70/77/532617077.db2.gz ZNKXCCDJPNESRF-IRXDYDNUSA-N 1 2 375.579 2.222 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)Cc1cc(F)ccc1Cl ZINC000632503086 532617660 /nfs/dbraw/zinc/61/76/60/532617660.db2.gz VADCFMARVOPTFL-JKSUJKDBSA-N 1 2 390.908 2.398 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000530422314 532619657 /nfs/dbraw/zinc/61/96/57/532619657.db2.gz JEUFLMSYFUKSIL-LLVKDONJSA-N 1 2 384.267 2.025 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000530422314 532619662 /nfs/dbraw/zinc/61/96/62/532619662.db2.gz JEUFLMSYFUKSIL-LLVKDONJSA-N 1 2 384.267 2.025 20 0 GEADLO COC[C@@H](C)CS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000474597773 532622231 /nfs/dbraw/zinc/62/22/31/532622231.db2.gz VJEJLRGMXJUCML-CYBMUJFWSA-N 1 2 376.469 2.131 20 0 GEADLO CC[N@H+](CCc1cccc(Cl)c1Cl)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000434544124 532596664 /nfs/dbraw/zinc/59/66/64/532596664.db2.gz VQFMILRLJWBCHE-ZDUSSCGKSA-N 1 2 393.336 2.161 20 0 GEADLO CC[N@@H+](CCc1cccc(Cl)c1Cl)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000434544124 532596670 /nfs/dbraw/zinc/59/66/70/532596670.db2.gz VQFMILRLJWBCHE-ZDUSSCGKSA-N 1 2 393.336 2.161 20 0 GEADLO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)CC1 ZINC000655643229 532597726 /nfs/dbraw/zinc/59/77/26/532597726.db2.gz UARFUQQJDVLJPL-CYBMUJFWSA-N 1 2 387.571 2.440 20 0 GEADLO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000262698013 532598001 /nfs/dbraw/zinc/59/80/01/532598001.db2.gz AENQEANLTBWOBU-DOMZBBRYSA-N 1 2 379.507 2.277 20 0 GEADLO CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1 ZINC000376178576 532599446 /nfs/dbraw/zinc/59/94/46/532599446.db2.gz RVEIDLKAQZQGMR-CQSZACIVSA-N 1 2 387.571 2.067 20 0 GEADLO CC(C)(C)c1csc(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1 ZINC000376178576 532599457 /nfs/dbraw/zinc/59/94/57/532599457.db2.gz RVEIDLKAQZQGMR-CQSZACIVSA-N 1 2 387.571 2.067 20 0 GEADLO Cc1cc(NC(=O)CN(C)[C@@H](C)C[NH+]2CCOCC2)ccc1Br ZINC000434712837 532600736 /nfs/dbraw/zinc/60/07/36/532600736.db2.gz DTMLEAACUMQUNU-AWEZNQCLSA-N 1 2 384.318 2.349 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1c(Cl)ccc(F)c1F ZINC000376239922 532603148 /nfs/dbraw/zinc/60/31/48/532603148.db2.gz DKWOARSBVYRHRE-SMDDNHRTSA-N 1 2 394.871 2.397 20 0 GEADLO O=C(C[NH+]1CCN(Cc2ncc(Br)cc2F)CC1)N1CCCCC1 ZINC000529518291 532605960 /nfs/dbraw/zinc/60/59/60/532605960.db2.gz CNMBBCKWNUEVIP-UHFFFAOYSA-N 1 2 399.308 2.113 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CCC[C@H]([NH+]4CCOCC4)C3)cc2s1 ZINC000632385119 532607744 /nfs/dbraw/zinc/60/77/44/532607744.db2.gz ALVLQVDKYDEJPQ-AWEZNQCLSA-N 1 2 381.523 2.090 20 0 GEADLO OCc1cn([C@H]2CCC[N@H+](Cc3ncc(Cl)cc3Br)C2)nn1 ZINC000529590884 532608495 /nfs/dbraw/zinc/60/84/95/532608495.db2.gz PVKDDRFFFYMWMQ-LBPRGKRZSA-N 1 2 386.681 2.418 20 0 GEADLO OCc1cn([C@H]2CCC[N@@H+](Cc3ncc(Cl)cc3Br)C2)nn1 ZINC000529590884 532608498 /nfs/dbraw/zinc/60/84/98/532608498.db2.gz PVKDDRFFFYMWMQ-LBPRGKRZSA-N 1 2 386.681 2.418 20 0 GEADLO COc1c(N)[nH+]cnc1N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000656183100 532608758 /nfs/dbraw/zinc/60/87/58/532608758.db2.gz NHKSLPVJONAKIJ-UHFFFAOYSA-N 1 2 396.264 2.291 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)C[C@H]1CCCC(F)(F)C1)C(C)(C)CO ZINC000632393048 532609749 /nfs/dbraw/zinc/60/97/49/532609749.db2.gz FGLBWNAOJDCHMD-QWHCGFSZSA-N 1 2 379.473 2.225 20 0 GEADLO CCC(CC)(NC(=O)C1C[NH+](Cc2ccsc2Br)C1)C(N)=O ZINC000529608191 532609877 /nfs/dbraw/zinc/60/98/77/532609877.db2.gz LBJYDEJAUVDNNS-UHFFFAOYSA-N 1 2 388.331 2.103 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000596992641 532610647 /nfs/dbraw/zinc/61/06/47/532610647.db2.gz DKLXGJYTYSWOBB-UMVBOHGHSA-N 1 2 392.253 2.317 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656298953 532612426 /nfs/dbraw/zinc/61/24/26/532612426.db2.gz WCAGRLQXZQXRCO-LBPRGKRZSA-N 1 2 383.279 2.444 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000298065935 532623677 /nfs/dbraw/zinc/62/36/77/532623677.db2.gz KBKIOWKRUPIELD-CQSZACIVSA-N 1 2 395.301 2.316 20 0 GEADLO Cn1cc(C[NH+]2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)cn1 ZINC000436115601 532627370 /nfs/dbraw/zinc/62/73/70/532627370.db2.gz PXZSTPXHAWEOEF-UHFFFAOYSA-N 1 2 382.295 2.483 20 0 GEADLO CCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc(Br)c1O ZINC000298144438 532629281 /nfs/dbraw/zinc/62/92/81/532629281.db2.gz QZUBCHDCLHRUAD-OLZOCXBDSA-N 1 2 384.274 2.151 20 0 GEADLO CCOc1cc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc(Br)c1O ZINC000298144438 532629286 /nfs/dbraw/zinc/62/92/86/532629286.db2.gz QZUBCHDCLHRUAD-OLZOCXBDSA-N 1 2 384.274 2.151 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2c(Cl)cnn2C)s1 ZINC000436241503 532630347 /nfs/dbraw/zinc/63/03/47/532630347.db2.gz LYQOBHPEEBJFDT-UHFFFAOYSA-N 1 2 376.935 2.455 20 0 GEADLO O=C(Nc1c[nH]cc(Br)c1=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000376798837 532630635 /nfs/dbraw/zinc/63/06/35/532630635.db2.gz KOHNHXYFHVKPHU-AWEZNQCLSA-N 1 2 377.242 2.136 20 0 GEADLO O=C(Nc1c[nH]cc(Br)c1=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000376798837 532630639 /nfs/dbraw/zinc/63/06/39/532630639.db2.gz KOHNHXYFHVKPHU-AWEZNQCLSA-N 1 2 377.242 2.136 20 0 GEADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000298204668 532634224 /nfs/dbraw/zinc/63/42/24/532634224.db2.gz YKZZAGJLDNZDRH-AWEZNQCLSA-N 1 2 382.555 2.437 20 0 GEADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000298204668 532634231 /nfs/dbraw/zinc/63/42/31/532634231.db2.gz YKZZAGJLDNZDRH-AWEZNQCLSA-N 1 2 382.555 2.437 20 0 GEADLO COC(=O)[C@H]([NH2+][C@@H](C)CCc1ccc(I)cc1)[C@@H](C)O ZINC000475091919 532636800 /nfs/dbraw/zinc/63/68/00/532636800.db2.gz KLOHKRBRBTVPGO-MISXGVKJSA-N 1 2 391.249 2.124 20 0 GEADLO C[C@@H](O)CCC[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000475058698 532637392 /nfs/dbraw/zinc/63/73/92/532637392.db2.gz BBOYCLKSSSBFKY-CYBMUJFWSA-N 1 2 380.432 2.173 20 0 GEADLO O=S(=O)(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000531911624 532639681 /nfs/dbraw/zinc/63/96/81/532639681.db2.gz VZVBKGIALSLYOG-LSDHHAIUSA-N 1 2 376.881 2.401 20 0 GEADLO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000656885534 532640182 /nfs/dbraw/zinc/64/01/82/532640182.db2.gz MQOKYFWONGXZHJ-CBBWQLFWSA-N 1 2 386.480 2.478 20 0 GEADLO CCCCN(CCCC)S(=O)(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531911834 532641537 /nfs/dbraw/zinc/64/15/37/532641537.db2.gz RRFTYMUGCJUTAC-ZWKOTPCHSA-N 1 2 375.579 2.366 20 0 GEADLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1 ZINC000531919124 532642050 /nfs/dbraw/zinc/64/20/50/532642050.db2.gz DOGPBSZPBJPKBQ-CVEARBPZSA-N 1 2 395.297 2.391 20 0 GEADLO CC(C)(CNS(=O)(=O)c1ccc(Br)c(F)c1)n1cc[nH+]c1 ZINC000632731711 532642618 /nfs/dbraw/zinc/64/26/18/532642618.db2.gz VTRAFPAHFYRCJC-UHFFFAOYSA-N 1 2 376.251 2.498 20 0 GEADLO CSc1nc(=O)[nH]c(C)c1C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000532044867 532643632 /nfs/dbraw/zinc/64/36/32/532643632.db2.gz HMUMFRWRRLKRHU-UHFFFAOYSA-N 1 2 379.511 2.017 20 0 GEADLO CSc1nc(=O)[nH]c(C)c1C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000532044867 532643635 /nfs/dbraw/zinc/64/36/35/532643635.db2.gz HMUMFRWRRLKRHU-UHFFFAOYSA-N 1 2 379.511 2.017 20 0 GEADLO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436739696 532643773 /nfs/dbraw/zinc/64/37/73/532643773.db2.gz QGHMFCMHWQDJRC-UHFFFAOYSA-N 1 2 397.248 2.426 20 0 GEADLO CC(C)[C@@H]1CC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000532038761 532643837 /nfs/dbraw/zinc/64/38/37/532643837.db2.gz UUFOPOKPJAUCNZ-HZPDHXFCSA-N 1 2 384.567 2.242 20 0 GEADLO CC(C)[C@@H]1CC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000532038761 532643839 /nfs/dbraw/zinc/64/38/39/532643839.db2.gz UUFOPOKPJAUCNZ-HZPDHXFCSA-N 1 2 384.567 2.242 20 0 GEADLO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ncc(I)s2)CN1 ZINC000377551722 532660074 /nfs/dbraw/zinc/66/00/74/532660074.db2.gz ZWCGVWUNJRSRKS-VHSXEESVSA-N 1 2 391.278 2.238 20 0 GEADLO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ncc(I)s2)CN1 ZINC000377551722 532660081 /nfs/dbraw/zinc/66/00/81/532660081.db2.gz ZWCGVWUNJRSRKS-VHSXEESVSA-N 1 2 391.278 2.238 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1C1CC1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000377547494 532660797 /nfs/dbraw/zinc/66/07/97/532660797.db2.gz YQBKJORBYBPNFU-NVXWUHKLSA-N 1 2 382.551 2.138 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1C1CC1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000377547494 532660800 /nfs/dbraw/zinc/66/08/00/532660800.db2.gz YQBKJORBYBPNFU-NVXWUHKLSA-N 1 2 382.551 2.138 20 0 GEADLO O=C(CSCC(=O)Nc1cccc(Br)c1)NCc1[nH]cc[nH+]1 ZINC000478820349 532661086 /nfs/dbraw/zinc/66/10/86/532661086.db2.gz GLKRUQSHYIELSK-UHFFFAOYSA-N 1 2 383.271 2.160 20 0 GEADLO Cn1c(Cl)c(Cl)cc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000298579802 532661238 /nfs/dbraw/zinc/66/12/38/532661238.db2.gz KRISGUXQWUKHHH-UHFFFAOYSA-N 1 2 387.311 2.102 20 0 GEADLO Cn1c(Cl)c(Cl)cc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000298579802 532661242 /nfs/dbraw/zinc/66/12/42/532661242.db2.gz KRISGUXQWUKHHH-UHFFFAOYSA-N 1 2 387.311 2.102 20 0 GEADLO NC(=O)C[C@H]1CC[N@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000377581175 532662267 /nfs/dbraw/zinc/66/22/67/532662267.db2.gz FQZROHJUXWKDBL-GFCCVEGCSA-N 1 2 379.258 2.120 20 0 GEADLO NC(=O)C[C@H]1CC[N@@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000377581175 532662272 /nfs/dbraw/zinc/66/22/72/532662272.db2.gz FQZROHJUXWKDBL-GFCCVEGCSA-N 1 2 379.258 2.120 20 0 GEADLO C[N@H+](CCC(=O)Nc1cccc(Br)c1)Cc1nnc2n1CCC2 ZINC000533482646 532664137 /nfs/dbraw/zinc/66/41/37/532664137.db2.gz WEIJGXQTUDXJMU-UHFFFAOYSA-N 1 2 378.274 2.447 20 0 GEADLO C[N@@H+](CCC(=O)Nc1cccc(Br)c1)Cc1nnc2n1CCC2 ZINC000533482646 532664143 /nfs/dbraw/zinc/66/41/43/532664143.db2.gz WEIJGXQTUDXJMU-UHFFFAOYSA-N 1 2 378.274 2.447 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cc(Br)c2c(c1)OCCO2)[NH+]1CCOCC1 ZINC000264175538 532665508 /nfs/dbraw/zinc/66/55/08/532665508.db2.gz AKEXTFQFMLETGY-NWDGAFQWSA-N 1 2 399.285 2.059 20 0 GEADLO O=S(=O)(NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)c1cccs1 ZINC000657185809 532665481 /nfs/dbraw/zinc/66/54/81/532665481.db2.gz YBNJZUOEMVFPDF-UHFFFAOYSA-N 1 2 377.535 2.381 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)c1cc(N2CCOCC2)nc[nH+]1 ZINC000298712573 532669417 /nfs/dbraw/zinc/66/94/17/532669417.db2.gz WEOFDEAHDKJOAF-OAHLLOKOSA-N 1 2 393.285 2.246 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000298712573 532669422 /nfs/dbraw/zinc/66/94/22/532669422.db2.gz WEOFDEAHDKJOAF-OAHLLOKOSA-N 1 2 393.285 2.246 20 0 GEADLO CCN1CCN(C(=O)c2cc(Br)ccc2O)C[C@H]1c1[nH]cc[nH+]1 ZINC000436994835 532648504 /nfs/dbraw/zinc/64/85/04/532648504.db2.gz AXUMKJUFJIOQAL-ZDUSSCGKSA-N 1 2 379.258 2.397 20 0 GEADLO Cn1ncc(Br)c1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000632854891 532648830 /nfs/dbraw/zinc/64/88/30/532648830.db2.gz WRYAVYZKMWXEGC-UHFFFAOYSA-N 1 2 393.289 2.177 20 0 GEADLO COc1cc(C[NH2+]Cc2nnc(C(C)C)s2)cc(Cl)c1OCC(N)=O ZINC000532328982 532650487 /nfs/dbraw/zinc/65/04/87/532650487.db2.gz DUEQZFYVUHEFPT-UHFFFAOYSA-N 1 2 384.889 2.477 20 0 GEADLO O=C(C[NH+]1CCC(c2ccncn2)CC1)Nc1ccc(Br)cn1 ZINC000298475771 532651899 /nfs/dbraw/zinc/65/18/99/532651899.db2.gz SPGBXANLBUMVHN-UHFFFAOYSA-N 1 2 376.258 2.452 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000656983921 532653782 /nfs/dbraw/zinc/65/37/82/532653782.db2.gz TXUBPGNUGMUILT-AWEZNQCLSA-N 1 2 390.908 2.353 20 0 GEADLO Cn1cc(C[NH+]2CCC(Oc3ccccc3I)CC2)nn1 ZINC000534134629 532668990 /nfs/dbraw/zinc/66/89/90/532668990.db2.gz KIQVZAPJXHQXQA-UHFFFAOYSA-N 1 2 398.248 2.463 20 0 GEADLO C[C@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437249746 532654199 /nfs/dbraw/zinc/65/41/99/532654199.db2.gz VTQRNVCTFVXREO-RYUDHWBXSA-N 1 2 381.420 2.055 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000298494627 532655330 /nfs/dbraw/zinc/65/53/30/532655330.db2.gz QVPYKSPUSJOHII-UHFFFAOYSA-N 1 2 394.273 2.412 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657035483 532658174 /nfs/dbraw/zinc/65/81/74/532658174.db2.gz UQRNMXGTPKYMRT-CQSZACIVSA-N 1 2 388.555 2.021 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657035483 532658183 /nfs/dbraw/zinc/65/81/83/532658183.db2.gz UQRNMXGTPKYMRT-CQSZACIVSA-N 1 2 388.555 2.021 20 0 GEADLO CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000285503335 532686121 /nfs/dbraw/zinc/68/61/21/532686121.db2.gz FKKBHCUFUULFFS-XJKSGUPXSA-N 1 2 385.555 2.091 20 0 GEADLO CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000285503335 532686128 /nfs/dbraw/zinc/68/61/28/532686128.db2.gz FKKBHCUFUULFFS-XJKSGUPXSA-N 1 2 385.555 2.091 20 0 GEADLO Cc1c(C(=O)N[C@H](C)Cn2cc[nH+]c2)nnn1-c1cccc(Br)c1 ZINC000298948144 532686113 /nfs/dbraw/zinc/68/61/13/532686113.db2.gz CLSWAHZCFMDKOH-LLVKDONJSA-N 1 2 389.257 2.353 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cscc1Br ZINC000285511439 532686404 /nfs/dbraw/zinc/68/64/04/532686404.db2.gz FZMXRUDREXGFID-UHFFFAOYSA-N 1 2 385.287 2.292 20 0 GEADLO Cc1c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)nnn1-c1cccc(Br)c1 ZINC000298948146 532686413 /nfs/dbraw/zinc/68/64/13/532686413.db2.gz CLSWAHZCFMDKOH-NSHDSACASA-N 1 2 389.257 2.353 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000285334047 532671562 /nfs/dbraw/zinc/67/15/62/532671562.db2.gz OCVFUMWDVBXLNY-OCCSQVGLSA-N 1 2 376.881 2.104 20 0 GEADLO CCN1CCN(S(=O)(=O)c2ccc(OC)cc2Cl)C[C@H]1c1[nH]cc[nH+]1 ZINC000568132255 532671848 /nfs/dbraw/zinc/67/18/48/532671848.db2.gz RONBRKULJOYWCU-AWEZNQCLSA-N 1 2 384.889 2.139 20 0 GEADLO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000660027805 532672105 /nfs/dbraw/zinc/67/21/05/532672105.db2.gz PUSPFTZEHJTNQK-SECBINFHSA-N 1 2 383.258 2.490 20 0 GEADLO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000660027805 532672110 /nfs/dbraw/zinc/67/21/10/532672110.db2.gz PUSPFTZEHJTNQK-SECBINFHSA-N 1 2 383.258 2.490 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000298762612 532672513 /nfs/dbraw/zinc/67/25/13/532672513.db2.gz QMJGYDRCLVZKBE-LLVKDONJSA-N 1 2 394.324 2.193 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000298762612 532672518 /nfs/dbraw/zinc/67/25/18/532672518.db2.gz QMJGYDRCLVZKBE-LLVKDONJSA-N 1 2 394.324 2.193 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000438596518 532673024 /nfs/dbraw/zinc/67/30/24/532673024.db2.gz LCZJDLUUICVRKI-ZIAGYGMSSA-N 1 2 380.535 2.494 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000438596518 532673032 /nfs/dbraw/zinc/67/30/32/532673032.db2.gz LCZJDLUUICVRKI-ZIAGYGMSSA-N 1 2 380.535 2.494 20 0 GEADLO O=C(C[N@H+]1CCSC[C@@H]1CCO)N[C@H](c1nccs1)c1ccccc1 ZINC000438653832 532675006 /nfs/dbraw/zinc/67/50/06/532675006.db2.gz SIDATCVXJAYLLZ-RDJZCZTQSA-N 1 2 377.535 2.149 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@@H]1CCO)N[C@H](c1nccs1)c1ccccc1 ZINC000438653832 532675010 /nfs/dbraw/zinc/67/50/10/532675010.db2.gz SIDATCVXJAYLLZ-RDJZCZTQSA-N 1 2 377.535 2.149 20 0 GEADLO O=C(C[N@H+]1CCSC[C@H]1CCO)Nc1ccc(Br)cc1F ZINC000438647916 532675395 /nfs/dbraw/zinc/67/53/95/532675395.db2.gz PKKVSQSWQHCHBU-LLVKDONJSA-N 1 2 377.279 2.327 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@H]1CCO)Nc1ccc(Br)cc1F ZINC000438647916 532675401 /nfs/dbraw/zinc/67/54/01/532675401.db2.gz PKKVSQSWQHCHBU-LLVKDONJSA-N 1 2 377.279 2.327 20 0 GEADLO O=C(C[N@H+]1CCSC[C@H]1CCO)N[C@@H](c1nccs1)c1ccccc1 ZINC000438653830 532675474 /nfs/dbraw/zinc/67/54/74/532675474.db2.gz SIDATCVXJAYLLZ-NVXWUHKLSA-N 1 2 377.535 2.149 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@H]1CCO)N[C@@H](c1nccs1)c1ccccc1 ZINC000438653830 532675481 /nfs/dbraw/zinc/67/54/81/532675481.db2.gz SIDATCVXJAYLLZ-NVXWUHKLSA-N 1 2 377.535 2.149 20 0 GEADLO CC1(C)CN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[C@@H]1O ZINC000483275169 532675664 /nfs/dbraw/zinc/67/56/64/532675664.db2.gz CNHDMBIOUPMZHV-ZDUSSCGKSA-N 1 2 381.274 2.399 20 0 GEADLO O=C(C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl)NC(=O)NCC(F)(F)F ZINC000483253648 532676157 /nfs/dbraw/zinc/67/61/57/532676157.db2.gz CQOPPLNAHPGZLD-VIFPVBQESA-N 1 2 388.173 2.005 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000660849318 532676670 /nfs/dbraw/zinc/67/66/70/532676670.db2.gz XHOQYIIBIQWICZ-AWEZNQCLSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000660849318 532676680 /nfs/dbraw/zinc/67/66/80/532676680.db2.gz XHOQYIIBIQWICZ-AWEZNQCLSA-N 1 2 390.311 2.437 20 0 GEADLO Cc1sc(Br)nc1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000298813310 532677395 /nfs/dbraw/zinc/67/73/95/532677395.db2.gz AJIBACWQZGFGFE-UHFFFAOYSA-N 1 2 376.320 2.397 20 0 GEADLO Cc1sc(Br)nc1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000298813310 532677402 /nfs/dbraw/zinc/67/74/02/532677402.db2.gz AJIBACWQZGFGFE-UHFFFAOYSA-N 1 2 376.320 2.397 20 0 GEADLO Cc1nc(-c2ncccn2)sc1C(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000378084849 532678932 /nfs/dbraw/zinc/67/89/32/532678932.db2.gz FHVQBWDGAJDQBH-ZDUSSCGKSA-N 1 2 375.523 2.172 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000438939663 532680585 /nfs/dbraw/zinc/68/05/85/532680585.db2.gz ZMXTVIMWCQBAOB-GFCCVEGCSA-N 1 2 379.869 2.147 20 0 GEADLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000535566300 532683339 /nfs/dbraw/zinc/68/33/39/532683339.db2.gz LEQQLEYAIWSVOW-KRWDZBQOSA-N 1 2 398.301 2.005 20 0 GEADLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000535566300 532683348 /nfs/dbraw/zinc/68/33/48/532683348.db2.gz LEQQLEYAIWSVOW-KRWDZBQOSA-N 1 2 398.301 2.005 20 0 GEADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(I)c(F)c1 ZINC000378198440 532683386 /nfs/dbraw/zinc/68/33/86/532683386.db2.gz GJGLJRLLNXSXJJ-SECBINFHSA-N 1 2 385.180 2.441 20 0 GEADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(I)c(F)c1 ZINC000378198440 532683389 /nfs/dbraw/zinc/68/33/89/532683389.db2.gz GJGLJRLLNXSXJJ-SECBINFHSA-N 1 2 385.180 2.441 20 0 GEADLO C[C@@H]1CN(c2[nH+]ccc3cc(Br)ccc32)CCN1S(C)(=O)=O ZINC000664411298 532691385 /nfs/dbraw/zinc/69/13/85/532691385.db2.gz OFWIBDFJDPBPTK-LLVKDONJSA-N 1 2 384.299 2.467 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000665106326 532692796 /nfs/dbraw/zinc/69/27/96/532692796.db2.gz LYQQHUSOFJHPSP-CABCVRRESA-N 1 2 379.258 2.325 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000378369723 532692991 /nfs/dbraw/zinc/69/29/91/532692991.db2.gz JQBTVQPCGLHTRH-ZDUSSCGKSA-N 1 2 376.931 2.160 20 0 GEADLO CC(C)C(=O)NCC[N@H+](C)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000536617973 532696581 /nfs/dbraw/zinc/69/65/81/532696581.db2.gz TUDRNIGKLDKSRX-CYBMUJFWSA-N 1 2 386.279 2.329 20 0 GEADLO CC(C)C(=O)NCC[N@@H+](C)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000536617973 532696584 /nfs/dbraw/zinc/69/65/84/532696584.db2.gz TUDRNIGKLDKSRX-CYBMUJFWSA-N 1 2 386.279 2.329 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000285682165 532697297 /nfs/dbraw/zinc/69/72/97/532697297.db2.gz RCEILURBNQIIOU-CQSZACIVSA-N 1 2 387.933 2.190 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000285682165 532697302 /nfs/dbraw/zinc/69/73/02/532697302.db2.gz RCEILURBNQIIOU-CQSZACIVSA-N 1 2 387.933 2.190 20 0 GEADLO O=C(NCc1cc(F)ccc1Br)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603592022 532697507 /nfs/dbraw/zinc/69/75/07/532697507.db2.gz GAEACMPPJIQTAS-UHFFFAOYSA-N 1 2 396.264 2.339 20 0 GEADLO COc1ccc(NC(=O)Cn2cc(C[NH+]3CCSCC3)nn2)cc1Cl ZINC000640761017 532697600 /nfs/dbraw/zinc/69/76/00/532697600.db2.gz WBTGEIFSRFFHHB-UHFFFAOYSA-N 1 2 381.889 2.128 20 0 GEADLO CC(=O)N(c1nc(C[NH+]2CCC3(CC2)SCC(=O)N3C)cs1)C1CC1 ZINC000378625588 532700323 /nfs/dbraw/zinc/70/03/23/532700323.db2.gz WDEJVMKFAYDVPU-UHFFFAOYSA-N 1 2 380.539 2.156 20 0 GEADLO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(CC1)SCC(=O)N2C ZINC000378624187 532700334 /nfs/dbraw/zinc/70/03/34/532700334.db2.gz RJDVJDQOKWMRGI-UHFFFAOYSA-N 1 2 383.901 2.284 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000285707613 532701313 /nfs/dbraw/zinc/70/13/13/532701313.db2.gz STPFTNZDKZPLRU-SWLSCSKDSA-N 1 2 380.432 2.095 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000285707613 532701317 /nfs/dbraw/zinc/70/13/17/532701317.db2.gz STPFTNZDKZPLRU-SWLSCSKDSA-N 1 2 380.432 2.095 20 0 GEADLO CCc1nc(CNc2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cs1 ZINC000285725306 532701935 /nfs/dbraw/zinc/70/19/35/532701935.db2.gz XFHVOXNVSXWGIE-UHFFFAOYSA-N 1 2 380.539 2.254 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2n[nH]cc2Br)CC1 ZINC000606515804 532702363 /nfs/dbraw/zinc/70/23/63/532702363.db2.gz WPTKPSHRUPXXGE-GFCCVEGCSA-N 1 2 393.289 2.156 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000439848497 532702533 /nfs/dbraw/zinc/70/25/33/532702533.db2.gz FCRYRGCKCRMTDF-QMMMGPOBSA-N 1 2 392.656 2.343 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000439848497 532702536 /nfs/dbraw/zinc/70/25/36/532702536.db2.gz FCRYRGCKCRMTDF-QMMMGPOBSA-N 1 2 392.656 2.343 20 0 GEADLO C[C@@H]1CCN(C(=O)Nc2cn(C)cc(Br)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000666692930 532702648 /nfs/dbraw/zinc/70/26/48/532702648.db2.gz GELSHZLGBKNHCM-BXUZGUMPSA-N 1 2 394.273 2.459 20 0 GEADLO CCS(=O)(=O)N1CCC(CNc2nc(C)[nH+]c(C)c2Br)CC1 ZINC000663799026 532687198 /nfs/dbraw/zinc/68/71/98/532687198.db2.gz VQAFJJSSYLDYOU-UHFFFAOYSA-N 1 2 391.335 2.330 20 0 GEADLO O=S(=O)(NCC(F)(F)F)NC1CC[NH+](CCSc2ccccc2)CC1 ZINC000439284921 532688082 /nfs/dbraw/zinc/68/80/82/532688082.db2.gz BDRFCTODBVNYOF-UHFFFAOYSA-N 1 2 397.488 2.229 20 0 GEADLO O=S(=O)(NCC(F)(F)F)NC1CC[NH+](CCCc2ccccc2)CC1 ZINC000439289797 532688121 /nfs/dbraw/zinc/68/81/21/532688121.db2.gz PKGILXCDOUVFEX-UHFFFAOYSA-N 1 2 379.448 2.070 20 0 GEADLO COC[C@H]1C[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H](C)O1 ZINC000439280056 532688398 /nfs/dbraw/zinc/68/83/98/532688398.db2.gz CQYBFRWMCYNCJG-TZMCWYRMSA-N 1 2 375.296 2.388 20 0 GEADLO COC[C@H]1C[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H](C)O1 ZINC000439280056 532688402 /nfs/dbraw/zinc/68/84/02/532688402.db2.gz CQYBFRWMCYNCJG-TZMCWYRMSA-N 1 2 375.296 2.388 20 0 GEADLO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cs1 ZINC000265227564 532688974 /nfs/dbraw/zinc/68/89/74/532688974.db2.gz OTMFVPNVXCSXIN-CYBMUJFWSA-N 1 2 381.523 2.319 20 0 GEADLO COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cs1 ZINC000265227564 532688981 /nfs/dbraw/zinc/68/89/81/532688981.db2.gz OTMFVPNVXCSXIN-CYBMUJFWSA-N 1 2 381.523 2.319 20 0 GEADLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1cnn2cc(Br)cnc12 ZINC000639088258 532689028 /nfs/dbraw/zinc/68/90/28/532689028.db2.gz DZHGFWPRKXNXAY-ZIAGYGMSSA-N 1 2 379.258 2.062 20 0 GEADLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1cnn2cc(Br)cnc12 ZINC000639088258 532689038 /nfs/dbraw/zinc/68/90/38/532689038.db2.gz DZHGFWPRKXNXAY-ZIAGYGMSSA-N 1 2 379.258 2.062 20 0 GEADLO CC[N@H+](Cc1ccccc1Br)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000439330439 532690270 /nfs/dbraw/zinc/69/02/70/532690270.db2.gz QMFHATUSAWVDOG-HIFRSBDPSA-N 1 2 396.329 2.383 20 0 GEADLO CC[N@@H+](Cc1ccccc1Br)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000439330439 532690280 /nfs/dbraw/zinc/69/02/80/532690280.db2.gz QMFHATUSAWVDOG-HIFRSBDPSA-N 1 2 396.329 2.383 20 0 GEADLO CCn1nnc(C)c1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000569188102 532691004 /nfs/dbraw/zinc/69/10/04/532691004.db2.gz MVDRQDTWMTUHEX-UHFFFAOYSA-N 1 2 375.424 2.189 20 0 GEADLO CCn1nnc(C)c1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000569188102 532691010 /nfs/dbraw/zinc/69/10/10/532691010.db2.gz MVDRQDTWMTUHEX-UHFFFAOYSA-N 1 2 375.424 2.189 20 0 GEADLO Cc1cc(I)cnc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000569697336 532704031 /nfs/dbraw/zinc/70/40/31/532704031.db2.gz NRETWZVRYRBEPE-JTQLQIEISA-N 1 2 382.205 2.392 20 0 GEADLO O=C(Nc1cccc2[nH+]ccn21)c1sccc1S(=O)(=O)N1CCCC1 ZINC000266151826 532705184 /nfs/dbraw/zinc/70/51/84/532705184.db2.gz KVZLIMKIXZTXQR-UHFFFAOYSA-N 1 2 376.463 2.433 20 0 GEADLO COC[C@]1(C(N)=O)CCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000643825927 532706451 /nfs/dbraw/zinc/70/64/51/532706451.db2.gz APUCCOVYNVDONZ-GTNSWQLSSA-N 1 2 388.295 2.137 20 0 GEADLO COC[C@]1(C(N)=O)CCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000643825927 532706458 /nfs/dbraw/zinc/70/64/58/532706458.db2.gz APUCCOVYNVDONZ-GTNSWQLSSA-N 1 2 388.295 2.137 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)s1 ZINC000440070561 532706900 /nfs/dbraw/zinc/70/69/00/532706900.db2.gz KUIJPEXSRFXOEC-UHFFFAOYSA-N 1 2 386.539 2.491 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)s1 ZINC000440070561 532706906 /nfs/dbraw/zinc/70/69/06/532706906.db2.gz KUIJPEXSRFXOEC-UHFFFAOYSA-N 1 2 386.539 2.491 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)N2CCOC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000537436318 532708346 /nfs/dbraw/zinc/70/83/46/532708346.db2.gz NWUGMDWXBFWDIN-JKSUJKDBSA-N 1 2 387.933 2.030 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)N2CCOC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000537436318 532708353 /nfs/dbraw/zinc/70/83/53/532708353.db2.gz NWUGMDWXBFWDIN-JKSUJKDBSA-N 1 2 387.933 2.030 20 0 GEADLO Cn1cc(C[N@H+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)c(C(F)(F)F)n1 ZINC000643887897 532710103 /nfs/dbraw/zinc/71/01/03/532710103.db2.gz FDTYTIAMZRHMSY-UHFFFAOYSA-N 1 2 396.822 2.372 20 0 GEADLO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)c(C(F)(F)F)n1 ZINC000643887897 532710108 /nfs/dbraw/zinc/71/01/08/532710108.db2.gz FDTYTIAMZRHMSY-UHFFFAOYSA-N 1 2 396.822 2.372 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000440324430 532710918 /nfs/dbraw/zinc/71/09/18/532710918.db2.gz JLDBGPJDUMNFOR-MRXNPFEDSA-N 1 2 379.551 2.429 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000440324430 532710923 /nfs/dbraw/zinc/71/09/23/532710923.db2.gz JLDBGPJDUMNFOR-MRXNPFEDSA-N 1 2 379.551 2.429 20 0 GEADLO C[N@H+](Cc1cc(Br)c(O)c(Br)c1)CC(C)(CO)CO ZINC000643886854 532711057 /nfs/dbraw/zinc/71/10/57/532711057.db2.gz VVJBPUIKQHDXCV-UHFFFAOYSA-N 1 2 397.107 2.340 20 0 GEADLO C[N@@H+](Cc1cc(Br)c(O)c(Br)c1)CC(C)(CO)CO ZINC000643886854 532711063 /nfs/dbraw/zinc/71/10/63/532711063.db2.gz VVJBPUIKQHDXCV-UHFFFAOYSA-N 1 2 397.107 2.340 20 0 GEADLO O=C(c1c(Cl)cccc1Br)N1CC[NH+](CCn2cncn2)CC1 ZINC000669058673 532711862 /nfs/dbraw/zinc/71/18/62/532711862.db2.gz ZZHSCXMUOPSSHV-UHFFFAOYSA-N 1 2 398.692 2.152 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)c(F)cc1F ZINC000440385062 532711971 /nfs/dbraw/zinc/71/19/71/532711971.db2.gz AWHLIDOIDAGPMP-CQSZACIVSA-N 1 2 376.469 2.298 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000285830232 532712759 /nfs/dbraw/zinc/71/27/59/532712759.db2.gz HESBDZDZXBIGIM-RYUDHWBXSA-N 1 2 397.273 2.387 20 0 GEADLO O=C(NCc1ccccc1Br)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000670851764 532720069 /nfs/dbraw/zinc/72/00/69/532720069.db2.gz IGCVWVVRUJPKJK-CQSZACIVSA-N 1 2 391.269 2.126 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000646111776 532722327 /nfs/dbraw/zinc/72/23/27/532722327.db2.gz XBDCRXDHBWVYTL-OTYXRUKQSA-N 1 2 378.782 2.062 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000646111776 532722330 /nfs/dbraw/zinc/72/23/30/532722330.db2.gz XBDCRXDHBWVYTL-OTYXRUKQSA-N 1 2 378.782 2.062 20 0 GEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000538851947 532722453 /nfs/dbraw/zinc/72/24/53/532722453.db2.gz KDEOCTDVSPRKRJ-DTWKUNHWSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000538851947 532722456 /nfs/dbraw/zinc/72/24/56/532722456.db2.gz KDEOCTDVSPRKRJ-DTWKUNHWSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000285975354 532722538 /nfs/dbraw/zinc/72/25/38/532722538.db2.gz WVXWLOWHONYKKP-WCQYABFASA-N 1 2 397.269 2.113 20 0 GEADLO O=C(NCc1nc(C[NH+]2CCCCC2)no1)c1csc(C(F)(F)F)n1 ZINC000646105420 532722706 /nfs/dbraw/zinc/72/27/06/532722706.db2.gz VKHOAGLCPZIELF-UHFFFAOYSA-N 1 2 375.376 2.461 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000409504020 532722977 /nfs/dbraw/zinc/72/29/77/532722977.db2.gz SULMMZHCDYXYGH-NWDGAFQWSA-N 1 2 391.331 2.312 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000409504020 532722985 /nfs/dbraw/zinc/72/29/85/532722985.db2.gz SULMMZHCDYXYGH-NWDGAFQWSA-N 1 2 391.331 2.312 20 0 GEADLO Cc1sc(NC(=O)C[N@H+](CCO)CCCO)nc1-c1ccc(Cl)cc1 ZINC000266803864 532725226 /nfs/dbraw/zinc/72/52/26/532725226.db2.gz ZMYOOBYJNTZWCV-UHFFFAOYSA-N 1 2 383.901 2.387 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+](CCO)CCCO)nc1-c1ccc(Cl)cc1 ZINC000266803864 532725229 /nfs/dbraw/zinc/72/52/29/532725229.db2.gz ZMYOOBYJNTZWCV-UHFFFAOYSA-N 1 2 383.901 2.387 20 0 GEADLO CC[N@@H+]1CCCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC1 ZINC000299571872 532727876 /nfs/dbraw/zinc/72/78/76/532727876.db2.gz XDQWXNFXMODKTE-UHFFFAOYSA-N 1 2 389.315 2.020 20 0 GEADLO CC[N@H+]1CCCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC1 ZINC000299571872 532727882 /nfs/dbraw/zinc/72/78/82/532727882.db2.gz XDQWXNFXMODKTE-UHFFFAOYSA-N 1 2 389.315 2.020 20 0 GEADLO CCSCC[C@H](C)N(C)C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000410926423 532744955 /nfs/dbraw/zinc/74/49/55/532744955.db2.gz GEJPHOQVWOUCPW-HNNXBMFYSA-N 1 2 383.583 2.382 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000503290093 532745642 /nfs/dbraw/zinc/74/56/42/532745642.db2.gz LAHXMKUOLICZHZ-SNVBAGLBSA-N 1 2 377.229 2.107 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000503290093 532745647 /nfs/dbraw/zinc/74/56/47/532745647.db2.gz LAHXMKUOLICZHZ-SNVBAGLBSA-N 1 2 377.229 2.107 20 0 GEADLO COCC[N@H+](Cc1ccc(SC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000267611591 532747446 /nfs/dbraw/zinc/74/74/46/532747446.db2.gz HWBHGXFOZWIOBO-HNNXBMFYSA-N 1 2 386.539 2.096 20 0 GEADLO COCC[N@@H+](Cc1ccc(SC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000267611591 532747450 /nfs/dbraw/zinc/74/74/50/532747450.db2.gz HWBHGXFOZWIOBO-HNNXBMFYSA-N 1 2 386.539 2.096 20 0 GEADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000286269654 532737308 /nfs/dbraw/zinc/73/73/08/532737308.db2.gz DYVLWTIWAXFUSN-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2ccc(SCCCOC(C)(C)C)nc2)CC1 ZINC000674926030 532737351 /nfs/dbraw/zinc/73/73/51/532737351.db2.gz AGEPHNCQQAUXGF-UHFFFAOYSA-N 1 2 387.571 2.315 20 0 GEADLO COCCN(CC(F)(F)F)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442977285 532738053 /nfs/dbraw/zinc/73/80/53/532738053.db2.gz LHARGIPRDLIQEQ-UHFFFAOYSA-N 1 2 377.388 2.131 20 0 GEADLO O=C(Cc1c(Cl)cccc1Br)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614514154 532738695 /nfs/dbraw/zinc/73/86/95/532738695.db2.gz JJABZYOONMSSAJ-GFCCVEGCSA-N 1 2 386.721 2.151 20 0 GEADLO O=C(Cc1c(Cl)cccc1Br)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614514154 532738699 /nfs/dbraw/zinc/73/86/99/532738699.db2.gz JJABZYOONMSSAJ-GFCCVEGCSA-N 1 2 386.721 2.151 20 0 GEADLO C[C@@H](CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)c1ccc(Br)cc1 ZINC000614508778 532739008 /nfs/dbraw/zinc/73/90/08/532739008.db2.gz YIHLOVCVULJMSO-YOEHRIQHSA-N 1 2 380.330 2.449 20 0 GEADLO C[C@@H](CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)c1ccc(Br)cc1 ZINC000614508778 532739015 /nfs/dbraw/zinc/73/90/15/532739015.db2.gz YIHLOVCVULJMSO-YOEHRIQHSA-N 1 2 380.330 2.449 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)c(Cl)c1 ZINC000502834659 532740984 /nfs/dbraw/zinc/74/09/84/532740984.db2.gz XHGOUPJMDDAFOU-AWEZNQCLSA-N 1 2 389.901 2.405 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)c(Cl)c1 ZINC000502834659 532740989 /nfs/dbraw/zinc/74/09/89/532740989.db2.gz XHGOUPJMDDAFOU-AWEZNQCLSA-N 1 2 389.901 2.405 20 0 GEADLO C[C@H](Nc1[nH+]cnc2c1c(Br)nn2C)C(=O)N1CCCC[C@@H]1C ZINC000301142276 532741969 /nfs/dbraw/zinc/74/19/69/532741969.db2.gz CLPHYKMPBHFTJV-UWVGGRQHSA-N 1 2 381.278 2.327 20 0 GEADLO CCS(=O)(=O)N1CCc2cc(-c3csc([C@H]4COCC[NH2+]4)n3)ccc21 ZINC000446137082 532754559 /nfs/dbraw/zinc/75/45/59/532754559.db2.gz KMGJLYGQYQJKPF-CQSZACIVSA-N 1 2 379.507 2.183 20 0 GEADLO COc1nnc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000581381862 532755170 /nfs/dbraw/zinc/75/51/70/532755170.db2.gz AQGWFLZIGCGLSS-RYUDHWBXSA-N 1 2 385.852 2.906 20 0 GEADLO COc1nnc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000581381862 532755176 /nfs/dbraw/zinc/75/51/76/532755176.db2.gz AQGWFLZIGCGLSS-RYUDHWBXSA-N 1 2 385.852 2.906 20 0 GEADLO CNc1cc(I)ccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000411386152 532759057 /nfs/dbraw/zinc/75/90/57/532759057.db2.gz JIYVEGFXWRWVNW-JTQLQIEISA-N 1 2 384.221 2.348 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000541944452 532762926 /nfs/dbraw/zinc/76/29/26/532762926.db2.gz YSVXUHPUVQVJKE-DOMZBBRYSA-N 1 2 381.274 2.457 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000267631799 532748926 /nfs/dbraw/zinc/74/89/26/532748926.db2.gz XEPFRZDEINCNOW-ZDUSSCGKSA-N 1 2 375.441 2.158 20 0 GEADLO C[C@H](CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F)C[NH+]1CCOCC1 ZINC000301347853 532749702 /nfs/dbraw/zinc/74/97/02/532749702.db2.gz HSKPQDQLPXRXKE-LLVKDONJSA-N 1 2 384.395 2.499 20 0 GEADLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cncc(Br)c2)CC1 ZINC000301390757 532749746 /nfs/dbraw/zinc/74/97/46/532749746.db2.gz AMMPZPGIAPZCPR-ZDUSSCGKSA-N 1 2 381.318 2.413 20 0 GEADLO CCCCN(C)S(=O)(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000506198180 532751891 /nfs/dbraw/zinc/75/18/91/532751891.db2.gz GOHUXYOXUPDDCR-UHFFFAOYSA-N 1 2 389.949 2.313 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000445215159 532752356 /nfs/dbraw/zinc/75/23/56/532752356.db2.gz ZYTAJISHQLBABF-UHFFFAOYSA-N 1 2 395.257 2.113 20 0 GEADLO CC(CC[NH+]1CC[S@](=O)[C@H](C)[C@@H]1C)CC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000411288490 532753799 /nfs/dbraw/zinc/75/37/99/532753799.db2.gz DSXQRZDVQVGTML-NZEWSBGGSA-N 1 2 376.632 2.085 20 0 GEADLO CC(CCN1CC[S@](=O)[C@H](C)[C@@H]1C)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000411288490 532753805 /nfs/dbraw/zinc/75/38/05/532753805.db2.gz DSXQRZDVQVGTML-NZEWSBGGSA-N 1 2 376.632 2.085 20 0 GEADLO CC(CCN1CC[S@](=O)[C@H](C)[C@@H]1C)CC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000411288490 532753809 /nfs/dbraw/zinc/75/38/09/532753809.db2.gz DSXQRZDVQVGTML-NZEWSBGGSA-N 1 2 376.632 2.085 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc2cc(Br)ccc2n1 ZINC000301540584 532753955 /nfs/dbraw/zinc/75/39/55/532753955.db2.gz BTRKZYRBRPFKAV-OAHLLOKOSA-N 1 2 380.286 2.127 20 0 GEADLO Cc1noc([C@H](C)[NH2+]CC(=O)Nc2ccc(I)cc2)n1 ZINC000542580765 532775564 /nfs/dbraw/zinc/77/55/64/532775564.db2.gz UXUFPASPXAOEGU-QMMMGPOBSA-N 1 2 386.193 2.272 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1csc(I)c1 ZINC000308672630 532777550 /nfs/dbraw/zinc/77/75/50/532777550.db2.gz BRGAKJMWTHVIBU-UHFFFAOYSA-N 1 2 394.278 2.193 20 0 GEADLO Cc1ccc(Br)cc1S(=O)(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000308670302 532777870 /nfs/dbraw/zinc/77/78/70/532777870.db2.gz GDUTWZDIGKWEFX-UHFFFAOYSA-N 1 2 391.331 2.147 20 0 GEADLO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000550051261 532796720 /nfs/dbraw/zinc/79/67/20/532796720.db2.gz MUSSHXLZDKKBPD-AWEZNQCLSA-N 1 2 383.279 2.444 20 0 GEADLO CN1CC[N@H+](C)C[C@H]1c1noc(COc2ccc(Br)cc2F)n1 ZINC000545793611 532784582 /nfs/dbraw/zinc/78/45/82/532784582.db2.gz KVXWQERMGDTPNP-LBPRGKRZSA-N 1 2 385.237 2.469 20 0 GEADLO CN1CC[N@@H+](C)C[C@H]1c1noc(COc2ccc(Br)cc2F)n1 ZINC000545793611 532784585 /nfs/dbraw/zinc/78/45/85/532784585.db2.gz KVXWQERMGDTPNP-LBPRGKRZSA-N 1 2 385.237 2.469 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000412063435 532784651 /nfs/dbraw/zinc/78/46/51/532784651.db2.gz CIBGIMCXIREESC-NSHDSACASA-N 1 2 376.400 2.482 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000412063435 532784654 /nfs/dbraw/zinc/78/46/54/532784654.db2.gz CIBGIMCXIREESC-NSHDSACASA-N 1 2 376.400 2.482 20 0 GEADLO COC(=O)c1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000269636110 532785043 /nfs/dbraw/zinc/78/50/43/532785043.db2.gz BRCQIRADWXAAIB-CQSZACIVSA-N 1 2 386.470 2.255 20 0 GEADLO CCOC(=O)C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CCC1 ZINC000545934163 532785063 /nfs/dbraw/zinc/78/50/63/532785063.db2.gz CQOOVTSLTPWSLR-UHFFFAOYSA-N 1 2 394.269 2.375 20 0 GEADLO CCOC(=O)C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CCC1 ZINC000545934163 532785065 /nfs/dbraw/zinc/78/50/65/532785065.db2.gz CQOOVTSLTPWSLR-UHFFFAOYSA-N 1 2 394.269 2.375 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412103093 532785241 /nfs/dbraw/zinc/78/52/41/532785241.db2.gz KTMCCMGMWSMVOV-ISTVAULSSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412103093 532785243 /nfs/dbraw/zinc/78/52/43/532785243.db2.gz KTMCCMGMWSMVOV-ISTVAULSSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H]1[C@H](CO)CCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000412093788 532785999 /nfs/dbraw/zinc/78/59/99/532785999.db2.gz WPUVGLOCFPZIEL-STQMWFEESA-N 1 2 376.316 2.316 20 0 GEADLO C[C@H]1[C@H](CO)CCC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000412093788 532786001 /nfs/dbraw/zinc/78/60/01/532786001.db2.gz WPUVGLOCFPZIEL-STQMWFEESA-N 1 2 376.316 2.316 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2sc(C(F)(F)F)nc2C)C1 ZINC000412355897 532789132 /nfs/dbraw/zinc/78/91/32/532789132.db2.gz LZSZCAYMCMWJOS-JTQLQIEISA-N 1 2 379.404 2.085 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2sc(C(F)(F)F)nc2C)C1 ZINC000412355897 532789135 /nfs/dbraw/zinc/78/91/35/532789135.db2.gz LZSZCAYMCMWJOS-JTQLQIEISA-N 1 2 379.404 2.085 20 0 GEADLO CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc1 ZINC000457301774 532790166 /nfs/dbraw/zinc/79/01/66/532790166.db2.gz YKKBHWCZDRDZBV-UHFFFAOYSA-N 1 2 382.511 2.144 20 0 GEADLO CCN1CCN(C(=O)c2cccc(Br)c2O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548677537 532793462 /nfs/dbraw/zinc/79/34/62/532793462.db2.gz RAKSHSQYDQGXBH-CYBMUJFWSA-N 1 2 379.258 2.397 20 0 GEADLO CCn1c(-c2ccc(Br)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000549069457 532793812 /nfs/dbraw/zinc/79/38/12/532793812.db2.gz ZUKZHVOAFQQIOY-UHFFFAOYSA-N 1 2 394.317 2.496 20 0 GEADLO Cn1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc(Br)c1=O ZINC000269405368 532780506 /nfs/dbraw/zinc/78/05/06/532780506.db2.gz PCKGHEQYORGZFY-UHFFFAOYSA-N 1 2 380.246 2.282 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c(Br)c1 ZINC000411940417 532781738 /nfs/dbraw/zinc/78/17/38/532781738.db2.gz OAQDGFAMISGCHQ-STQMWFEESA-N 1 2 382.302 2.495 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(=O)N(C)C)C2)c(Br)c1 ZINC000411940417 532781745 /nfs/dbraw/zinc/78/17/45/532781745.db2.gz OAQDGFAMISGCHQ-STQMWFEESA-N 1 2 382.302 2.495 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](CC[S@](=O)c3cc(Cl)ccc3Cl)C[C@H]12 ZINC000329468472 532806929 /nfs/dbraw/zinc/80/69/29/532806929.db2.gz XJFSXJJVDPHVSD-BGJPBQGDSA-N 1 2 376.265 2.177 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](CC[S@](=O)c3cc(Cl)ccc3Cl)C[C@H]12 ZINC000329468472 532806934 /nfs/dbraw/zinc/80/69/34/532806934.db2.gz XJFSXJJVDPHVSD-BGJPBQGDSA-N 1 2 376.265 2.177 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](Cc3cc4c(cc3Br)OCCCO4)C[C@H]12 ZINC000329450904 532807345 /nfs/dbraw/zinc/80/73/45/532807345.db2.gz OXAUPDUMJMUGBL-GFCCVEGCSA-N 1 2 396.241 2.187 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](Cc3cc4c(cc3Br)OCCCO4)C[C@H]12 ZINC000329450904 532807347 /nfs/dbraw/zinc/80/73/47/532807347.db2.gz OXAUPDUMJMUGBL-GFCCVEGCSA-N 1 2 396.241 2.187 20 0 GEADLO C[C@@H](CNC(=O)c1cnc(C2OCCO2)s1)[N@@H+]1CCc2sccc2C1 ZINC000287742210 532808713 /nfs/dbraw/zinc/80/87/13/532808713.db2.gz WKYVITGRZUYBCL-NSHDSACASA-N 1 2 379.507 2.427 20 0 GEADLO C[C@@H](CNC(=O)c1cnc(C2OCCO2)s1)[N@H+]1CCc2sccc2C1 ZINC000287742210 532808716 /nfs/dbraw/zinc/80/87/16/532808716.db2.gz WKYVITGRZUYBCL-NSHDSACASA-N 1 2 379.507 2.427 20 0 GEADLO O=C(NCc1cn2ccccc2[nH+]1)C(=O)NCc1ccc(Br)cc1 ZINC000550077049 532797559 /nfs/dbraw/zinc/79/75/59/532797559.db2.gz ZGYSLADAUWCKDV-UHFFFAOYSA-N 1 2 387.237 2.029 20 0 GEADLO CN(CC1CC1)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328810767 532798028 /nfs/dbraw/zinc/79/80/28/532798028.db2.gz FETKGHBIUJZPPO-HZPDHXFCSA-N 1 2 375.897 2.401 20 0 GEADLO CN(CC1CC1)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328810767 532798033 /nfs/dbraw/zinc/79/80/33/532798033.db2.gz FETKGHBIUJZPPO-HZPDHXFCSA-N 1 2 375.897 2.401 20 0 GEADLO CC(C)n1cc(S(=O)(=O)NCc2cn3cc(Br)ccc3[nH+]2)cn1 ZINC000462188584 532801066 /nfs/dbraw/zinc/80/10/66/532801066.db2.gz NZAXMBGKDNUBAA-UHFFFAOYSA-N 1 2 398.286 2.353 20 0 GEADLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000270820428 532802600 /nfs/dbraw/zinc/80/26/00/532802600.db2.gz BEHSWGYDOXGVTE-ZDUSSCGKSA-N 1 2 381.270 2.417 20 0 GEADLO O=C1CCCN1[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000270820428 532802603 /nfs/dbraw/zinc/80/26/03/532802603.db2.gz BEHSWGYDOXGVTE-ZDUSSCGKSA-N 1 2 381.270 2.417 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000329950215 532813085 /nfs/dbraw/zinc/81/30/85/532813085.db2.gz HSJNDYXBJGOQBJ-NXEZZACHSA-N 1 2 385.287 2.075 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000329950215 532813089 /nfs/dbraw/zinc/81/30/89/532813089.db2.gz HSJNDYXBJGOQBJ-NXEZZACHSA-N 1 2 385.287 2.075 20 0 GEADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000272223396 532813756 /nfs/dbraw/zinc/81/37/56/532813756.db2.gz KPIAVEOSUXOVTO-OLZOCXBDSA-N 1 2 398.301 2.003 20 0 GEADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000272223396 532813760 /nfs/dbraw/zinc/81/37/60/532813760.db2.gz KPIAVEOSUXOVTO-OLZOCXBDSA-N 1 2 398.301 2.003 20 0 GEADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2cccc(Br)n2)C1 ZINC000272376137 532814514 /nfs/dbraw/zinc/81/45/14/532814514.db2.gz CWTYAAIFOXWOSE-ZDUSSCGKSA-N 1 2 398.301 2.078 20 0 GEADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2cccc(Br)n2)C1 ZINC000272376137 532814516 /nfs/dbraw/zinc/81/45/16/532814516.db2.gz CWTYAAIFOXWOSE-ZDUSSCGKSA-N 1 2 398.301 2.078 20 0 GEADLO CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c2ccc[nH+]c21 ZINC000330178958 532816010 /nfs/dbraw/zinc/81/60/10/532816010.db2.gz MASQDEKDILLOEI-UHFFFAOYSA-N 1 2 381.841 2.151 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000272513577 532816284 /nfs/dbraw/zinc/81/62/84/532816284.db2.gz YPWRRABPAKLPFK-CYBMUJFWSA-N 1 2 382.251 2.332 20 0 GEADLO CC(=O)N1CCC[C@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273293554 532822504 /nfs/dbraw/zinc/82/25/04/532822504.db2.gz MTISRWKNPTTWSE-HNNXBMFYSA-N 1 2 393.285 2.075 20 0 GEADLO Cn1ncc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1Br ZINC000273295852 532822519 /nfs/dbraw/zinc/82/25/19/532822519.db2.gz TUUZNCVPTDOKOA-UHFFFAOYSA-N 1 2 393.285 2.019 20 0 GEADLO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCCCS1(=O)=O ZINC000273310423 532822818 /nfs/dbraw/zinc/82/28/18/532822818.db2.gz WKEBIHRKRNNKEQ-QGZVFWFLSA-N 1 2 384.929 2.388 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)Cn3cc[nH+]c3)nc12 ZINC000273496309 532825217 /nfs/dbraw/zinc/82/52/17/532825217.db2.gz QSXYDZLLVXOHAR-GFCCVEGCSA-N 1 2 391.273 2.490 20 0 GEADLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)s1 ZINC000273615128 532828478 /nfs/dbraw/zinc/82/84/78/532828478.db2.gz PFLUFRXIIBMQKV-QMMMGPOBSA-N 1 2 379.511 2.175 20 0 GEADLO COc1cc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)ccc1Br ZINC000414454833 532828428 /nfs/dbraw/zinc/82/84/28/532828428.db2.gz ANMNGPOXUZGVAN-LLVKDONJSA-N 1 2 388.287 2.269 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)[C@H](C)CO)[nH+]c12 ZINC000273676256 532830179 /nfs/dbraw/zinc/83/01/79/532830179.db2.gz YJVUOYMCSWYZHC-VXGBXAGGSA-N 1 2 383.290 2.264 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330881234 532828616 /nfs/dbraw/zinc/82/86/16/532828616.db2.gz YZYSWLZDEWUPOW-NWDGAFQWSA-N 1 2 389.315 2.143 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330881234 532828619 /nfs/dbraw/zinc/82/86/19/532828619.db2.gz YZYSWLZDEWUPOW-NWDGAFQWSA-N 1 2 389.315 2.143 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCCCc1ccc(Cl)s1 ZINC000288492272 532829216 /nfs/dbraw/zinc/82/92/16/532829216.db2.gz KAVOCYVLZHSHKI-AWEZNQCLSA-N 1 2 389.949 2.059 20 0 GEADLO Brc1cc(C[NH2+]Cc2nc3ncccn3n2)cc2c1OCCCO2 ZINC000414532192 532831701 /nfs/dbraw/zinc/83/17/01/532831701.db2.gz ULJULASKWMJEFV-UHFFFAOYSA-N 1 2 390.241 2.338 20 0 GEADLO CCCOc1c(Br)cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1OC ZINC000414560176 532832314 /nfs/dbraw/zinc/83/23/14/532832314.db2.gz QBSFZLBQXSBYLA-UKRRQHHQSA-N 1 2 388.302 2.422 20 0 GEADLO CCCOc1c(Br)cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1OC ZINC000414560176 532832315 /nfs/dbraw/zinc/83/23/15/532832315.db2.gz QBSFZLBQXSBYLA-UKRRQHHQSA-N 1 2 388.302 2.422 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000414565875 532832329 /nfs/dbraw/zinc/83/23/29/532832329.db2.gz ZIYTYQJWWNZDOU-HOCLYGCPSA-N 1 2 388.302 2.040 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000414565875 532832330 /nfs/dbraw/zinc/83/23/30/532832330.db2.gz ZIYTYQJWWNZDOU-HOCLYGCPSA-N 1 2 388.302 2.040 20 0 GEADLO CS[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C[C@@H]1[NH+](C)C ZINC000331320689 532837827 /nfs/dbraw/zinc/83/78/27/532837827.db2.gz KPZFUEGJRMKEKT-JQWIXIFHSA-N 1 2 384.445 2.077 20 0 GEADLO O=c1nc([C@@H]2CCC[N@@H+](Cc3nc4cc(Br)ccc4o3)C2)[nH][nH]1 ZINC000288775998 532838042 /nfs/dbraw/zinc/83/80/42/532838042.db2.gz BILHOZNHBCDMHW-SECBINFHSA-N 1 2 378.230 2.381 20 0 GEADLO O=c1nc([C@@H]2CCC[N@H+](Cc3nc4cc(Br)ccc4o3)C2)[nH][nH]1 ZINC000288775998 532838044 /nfs/dbraw/zinc/83/80/44/532838044.db2.gz BILHOZNHBCDMHW-SECBINFHSA-N 1 2 378.230 2.381 20 0 GEADLO CN(C)C(=O)NCC[N@H+](C)Cc1cc2c(cc1Br)OCCCO2 ZINC000331432783 532839423 /nfs/dbraw/zinc/83/94/23/532839423.db2.gz NOLSWGGUBNMART-UHFFFAOYSA-N 1 2 386.290 2.313 20 0 GEADLO CN(C)C(=O)NCC[N@@H+](C)Cc1cc2c(cc1Br)OCCCO2 ZINC000331432783 532839425 /nfs/dbraw/zinc/83/94/25/532839425.db2.gz NOLSWGGUBNMART-UHFFFAOYSA-N 1 2 386.290 2.313 20 0 GEADLO O=C(Nc1ncc(F)cc1I)C12CCC[NH+]1CCC2 ZINC000415303661 532840987 /nfs/dbraw/zinc/84/09/87/532840987.db2.gz FFTCDLNHZQGTAB-UHFFFAOYSA-N 1 2 375.185 2.392 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000331690380 532842960 /nfs/dbraw/zinc/84/29/60/532842960.db2.gz BEEGLBZVAGOZPY-YPMHNXCESA-N 1 2 395.301 2.244 20 0 GEADLO Cn1c[nH+]cc1[C@H]1C[C@H](NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)CCO1 ZINC000328617658 206233279 /nfs/dbraw/zinc/23/32/79/206233279.db2.gz CZASRRLAYUEVRL-DNVCBOLYSA-N 1 2 390.509 2.001 20 0 GEADLO CCOc1cc(CN2CCn3cc(C)[nH+]c3C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000359894302 206266784 /nfs/dbraw/zinc/26/67/84/206266784.db2.gz FWQCBCHLLUAGGT-MRXNPFEDSA-N 1 2 386.496 2.462 20 0 GEADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000359925511 206270580 /nfs/dbraw/zinc/27/05/80/206270580.db2.gz AOEQWFVJCMMESR-GOSISDBHSA-N 1 2 389.521 2.159 20 0 GEADLO COC(=O)COc1c(C)cc(C[N@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)cc1C ZINC000359999963 206278343 /nfs/dbraw/zinc/27/83/43/206278343.db2.gz PYMKUWKLWHIHPC-IRXDYDNUSA-N 1 2 379.453 2.008 20 0 GEADLO COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)cc1C ZINC000359999963 206278344 /nfs/dbraw/zinc/27/83/44/206278344.db2.gz PYMKUWKLWHIHPC-IRXDYDNUSA-N 1 2 379.453 2.008 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cs1 ZINC000331837460 532845339 /nfs/dbraw/zinc/84/53/39/532845339.db2.gz DEFHJSMMQZUZLL-UHFFFAOYSA-N 1 2 383.495 2.139 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000274232638 532845633 /nfs/dbraw/zinc/84/56/33/532845633.db2.gz RECPAXAMJPJZPL-INIZCTEOSA-N 1 2 388.917 2.195 20 0 GEADLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)CCn1cc(Br)cn1 ZINC000289055118 532846022 /nfs/dbraw/zinc/84/60/22/532846022.db2.gz FSZLUYUQFSRVSO-UHFFFAOYSA-N 1 2 376.258 2.462 20 0 GEADLO COCCOCCCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274260179 532846612 /nfs/dbraw/zinc/84/66/12/532846612.db2.gz UZUCZHLAEIGYRY-UHFFFAOYSA-N 1 2 399.289 2.258 20 0 GEADLO C[C@H](O)c1ncc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)s1 ZINC000289102568 532847598 /nfs/dbraw/zinc/84/75/98/532847598.db2.gz MDXTYLCIVHZEJS-NSHDSACASA-N 1 2 387.552 2.201 20 0 GEADLO C[C@H](c1ncc(Br)cn1)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000332077734 532848345 /nfs/dbraw/zinc/84/83/45/532848345.db2.gz GZFFVMBHMRSSFN-WQAKAFBOSA-N 1 2 379.262 2.284 20 0 GEADLO C[C@H](c1ncc(Br)cn1)[N@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000332077734 532848348 /nfs/dbraw/zinc/84/83/48/532848348.db2.gz GZFFVMBHMRSSFN-WQAKAFBOSA-N 1 2 379.262 2.284 20 0 GEADLO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000332083479 532848591 /nfs/dbraw/zinc/84/85/91/532848591.db2.gz BZKUFMUHLKSNAC-NUEKZKHPSA-N 1 2 386.539 2.098 20 0 GEADLO Cc1[nH]c(C(=O)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)c[nH+]1 ZINC000332224096 532849892 /nfs/dbraw/zinc/84/98/92/532849892.db2.gz ZGLDXGZWGCMABM-ZDUSSCGKSA-N 1 2 377.242 2.324 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274484754 532851177 /nfs/dbraw/zinc/85/11/77/532851177.db2.gz PYLUWFKZYOJRRZ-UHFFFAOYSA-N 1 2 377.670 2.293 20 0 GEADLO Cc1cc(C(=O)N2CC[NH+](CCn3cncn3)CC2)c(C)cc1Br ZINC000332367434 532853205 /nfs/dbraw/zinc/85/32/05/532853205.db2.gz YUXHBNKERFCRFV-UHFFFAOYSA-N 1 2 392.301 2.115 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000289368903 532853385 /nfs/dbraw/zinc/85/33/85/532853385.db2.gz IBZNNMOPCMLZIS-AWEZNQCLSA-N 1 2 386.901 2.111 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000289368903 532853387 /nfs/dbraw/zinc/85/33/87/532853387.db2.gz IBZNNMOPCMLZIS-AWEZNQCLSA-N 1 2 386.901 2.111 20 0 GEADLO C[C@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H](C)S1(=O)=O ZINC000289445376 532855187 /nfs/dbraw/zinc/85/51/87/532855187.db2.gz GJRQNMPXNLLEJM-STQMWFEESA-N 1 2 386.543 2.168 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c(Cl)c1 ZINC000332487199 532856130 /nfs/dbraw/zinc/85/61/30/532856130.db2.gz BCPHIRBGVZCAKV-TZMCWYRMSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c(Cl)c1 ZINC000332487199 532856132 /nfs/dbraw/zinc/85/61/32/532856132.db2.gz BCPHIRBGVZCAKV-TZMCWYRMSA-N 1 2 386.901 2.374 20 0 GEADLO O=S(=O)(NC[C@H]1CCc2[nH+]ccn2C1)c1cc(C(F)(F)F)ccc1O ZINC000332587245 532857187 /nfs/dbraw/zinc/85/71/87/532857187.db2.gz KPBHBEHVBAGZQU-SNVBAGLBSA-N 1 2 375.372 2.148 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(Br)c1 ZINC000332622137 532858293 /nfs/dbraw/zinc/85/82/93/532858293.db2.gz CFYQWDDGJRVVIQ-GFCCVEGCSA-N 1 2 384.274 2.396 20 0 GEADLO Cc1nc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)ccc1I ZINC000332729782 532861325 /nfs/dbraw/zinc/86/13/25/532861325.db2.gz ZKQBCUXKPAZMMZ-JTQLQIEISA-N 1 2 382.205 2.392 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc1OC ZINC000275035373 532861686 /nfs/dbraw/zinc/86/16/86/532861686.db2.gz WURKIJGFJAHERS-UHFFFAOYSA-N 1 2 380.242 2.108 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CCc3n[nH]c(=O)cc3C2)cc1OC ZINC000275035373 532861690 /nfs/dbraw/zinc/86/16/90/532861690.db2.gz WURKIJGFJAHERS-UHFFFAOYSA-N 1 2 380.242 2.108 20 0 GEADLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000333058863 532863380 /nfs/dbraw/zinc/86/33/80/532863380.db2.gz MRBDDHYLXFNSJB-USXIJHARSA-N 1 2 398.297 2.259 20 0 GEADLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000333058863 532863382 /nfs/dbraw/zinc/86/33/82/532863382.db2.gz MRBDDHYLXFNSJB-USXIJHARSA-N 1 2 398.297 2.259 20 0 GEADLO C[C@H]1C[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000333053664 532863447 /nfs/dbraw/zinc/86/34/47/532863447.db2.gz CAJBUMBKAMCERF-NWDGAFQWSA-N 1 2 399.289 2.370 20 0 GEADLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000333082306 532863692 /nfs/dbraw/zinc/86/36/92/532863692.db2.gz XJMVTPBTOQAWKB-QWHCGFSZSA-N 1 2 382.511 2.359 20 0 GEADLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000333082306 532863693 /nfs/dbraw/zinc/86/36/93/532863693.db2.gz XJMVTPBTOQAWKB-QWHCGFSZSA-N 1 2 382.511 2.359 20 0 GEADLO Cn1cc[nH+]c1N1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000275120657 532865405 /nfs/dbraw/zinc/86/54/05/532865405.db2.gz JANOYFJQNQXURY-UHFFFAOYSA-N 1 2 376.873 2.488 20 0 GEADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000333276398 532866408 /nfs/dbraw/zinc/86/64/08/532866408.db2.gz IBBRLTBVKMPVAZ-GFCCVEGCSA-N 1 2 378.274 2.268 20 0 GEADLO Cc1cc(Br)cn2c(C[NH+]3CCC4(CNC(=O)N4C)CC3)cnc12 ZINC000333353549 532867531 /nfs/dbraw/zinc/86/75/31/532867531.db2.gz FXEMDTIKBKADFY-UHFFFAOYSA-N 1 2 392.301 2.395 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCC4(CNC(=O)N4C)CC3)c[nH+]c12 ZINC000333353549 532867534 /nfs/dbraw/zinc/86/75/34/532867534.db2.gz FXEMDTIKBKADFY-UHFFFAOYSA-N 1 2 392.301 2.395 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000289940205 532868333 /nfs/dbraw/zinc/86/83/33/532868333.db2.gz CNBXQFAKQIDGNW-IAQYHMDHSA-N 1 2 386.279 2.254 20 0 GEADLO CC(C)[NH+]1CC(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C1 ZINC000275199072 532868492 /nfs/dbraw/zinc/86/84/92/532868492.db2.gz HHEMDYPWKDUBGK-UHFFFAOYSA-N 1 2 379.507 2.371 20 0 GEADLO Cc1nc2cc(Br)cc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2o1 ZINC000333467769 532868839 /nfs/dbraw/zinc/86/88/39/532868839.db2.gz FKUFDRINFWLSIO-UONOGXRCSA-N 1 2 395.257 2.445 20 0 GEADLO Cc1nc2cc(Br)cc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2o1 ZINC000333467769 532868842 /nfs/dbraw/zinc/86/88/42/532868842.db2.gz FKUFDRINFWLSIO-UONOGXRCSA-N 1 2 395.257 2.445 20 0 GEADLO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000289957092 532868649 /nfs/dbraw/zinc/86/86/49/532868649.db2.gz MPKVNUWTRCFUTL-ZIAGYGMSSA-N 1 2 380.495 2.271 20 0 GEADLO C[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C(=O)NC(C)(C)C ZINC000290053625 532871233 /nfs/dbraw/zinc/87/12/33/532871233.db2.gz XGDJBUDDABYRMF-NSHDSACASA-N 1 2 380.290 2.423 20 0 GEADLO O=S1(=O)CCCN1C1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000333945136 532875929 /nfs/dbraw/zinc/87/59/29/532875929.db2.gz SNJOJXXZZSCTII-UHFFFAOYSA-N 1 2 389.315 2.155 20 0 GEADLO CC1(C)C[N@H+](CCS(=O)(=O)c2cccc(Br)c2)CC[C@H]1O ZINC000275413058 532875794 /nfs/dbraw/zinc/87/57/94/532875794.db2.gz GMPYJTNNNKFWJU-CQSZACIVSA-N 1 2 376.316 2.316 20 0 GEADLO CC1(C)C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)CC[C@H]1O ZINC000275413058 532875796 /nfs/dbraw/zinc/87/57/96/532875796.db2.gz GMPYJTNNNKFWJU-CQSZACIVSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000290244703 532875822 /nfs/dbraw/zinc/87/58/22/532875822.db2.gz QRLXYJOVXNBGEJ-IUODEOHRSA-N 1 2 378.416 2.189 20 0 GEADLO COCCOc1c(Cl)cc(S(=O)(=O)NCc2c[nH+]cn2C)cc1Cl ZINC000290249209 532876393 /nfs/dbraw/zinc/87/63/93/532876393.db2.gz RHKCJTBPYKZUQR-UHFFFAOYSA-N 1 2 394.280 2.231 20 0 GEADLO C[C@@H](NC(=O)c1cc(Cl)ncc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000290246848 532876133 /nfs/dbraw/zinc/87/61/33/532876133.db2.gz MRFMZOPWUPJTCE-ZJUUUORDSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@@H]1CCN(C(=O)NCc2nn(C)cc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000334073327 532877979 /nfs/dbraw/zinc/87/79/79/532877979.db2.gz IPBNAPIGZWMCOO-RISCZKNCSA-N 1 2 381.278 2.172 20 0 GEADLO C[C@@H]1CCN(C(=O)NCc2nn(C)cc2Br)C[C@H]1n1cc[nH+]c1 ZINC000334073325 532878029 /nfs/dbraw/zinc/87/80/29/532878029.db2.gz IPBNAPIGZWMCOO-BXUZGUMPSA-N 1 2 381.278 2.172 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)[C@@H]3OC[C@H]4COCC[C@H]43)[nH+]c12 ZINC000290323448 532878153 /nfs/dbraw/zinc/87/81/53/532878153.db2.gz AYRDBODGWRXIIU-KCPJHIHWSA-N 1 2 394.269 2.073 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1Cc1cc(F)c(F)cc1Br ZINC000348454168 532879087 /nfs/dbraw/zinc/87/90/87/532879087.db2.gz DNXKDXCTLULHFA-LBPRGKRZSA-N 1 2 385.168 2.114 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1Cc1cc(F)c(F)cc1Br ZINC000348454168 532879091 /nfs/dbraw/zinc/87/90/91/532879091.db2.gz DNXKDXCTLULHFA-LBPRGKRZSA-N 1 2 385.168 2.114 20 0 GEADLO CC(=O)OC(C)(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000275574791 532879152 /nfs/dbraw/zinc/87/91/52/532879152.db2.gz ILNLPVIFOMHCBH-UHFFFAOYSA-N 1 2 382.258 2.406 20 0 GEADLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)Nc2ccc(Br)nc2)C1 ZINC000275959600 532886638 /nfs/dbraw/zinc/88/66/38/532886638.db2.gz MVGXNOSOYHWLTA-CYBMUJFWSA-N 1 2 391.273 2.372 20 0 GEADLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)Nc2ccc(Br)nc2)C1 ZINC000275959600 532886641 /nfs/dbraw/zinc/88/66/41/532886641.db2.gz MVGXNOSOYHWLTA-CYBMUJFWSA-N 1 2 391.273 2.372 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420941094 532887388 /nfs/dbraw/zinc/88/73/88/532887388.db2.gz OUZREVBVKFFSMD-ZDUSSCGKSA-N 1 2 375.296 2.424 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420941094 532887390 /nfs/dbraw/zinc/88/73/90/532887390.db2.gz OUZREVBVKFFSMD-ZDUSSCGKSA-N 1 2 375.296 2.424 20 0 GEADLO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)c2ccccc12 ZINC000420930974 532887571 /nfs/dbraw/zinc/88/75/71/532887571.db2.gz FNJCXGQZRRQWIP-CQSZACIVSA-N 1 2 380.897 2.228 20 0 GEADLO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)c2ccccc12 ZINC000420930974 532887574 /nfs/dbraw/zinc/88/75/74/532887574.db2.gz FNJCXGQZRRQWIP-CQSZACIVSA-N 1 2 380.897 2.228 20 0 GEADLO FC(F)(F)COCCn1nnnc1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420945014 532887761 /nfs/dbraw/zinc/88/77/61/532887761.db2.gz KBHRLUUJWFECGI-JTQLQIEISA-N 1 2 375.317 2.416 20 0 GEADLO FC(F)(F)COCCn1nnnc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420945014 532887763 /nfs/dbraw/zinc/88/77/63/532887763.db2.gz KBHRLUUJWFECGI-JTQLQIEISA-N 1 2 375.317 2.416 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)NCc1cccc(Br)c1Cl ZINC000420608324 532884387 /nfs/dbraw/zinc/88/43/87/532884387.db2.gz CZNQCOUWICDHGF-UHFFFAOYSA-N 1 2 399.676 2.122 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000290850330 532891255 /nfs/dbraw/zinc/89/12/55/532891255.db2.gz PQTVWBNPDOUAPQ-ZDUSSCGKSA-N 1 2 378.274 2.261 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NOC[C@@H]3CCOC3)[nH+]c12 ZINC000276211440 532891430 /nfs/dbraw/zinc/89/14/30/532891430.db2.gz DAECYORZLXXZBO-GFCCVEGCSA-N 1 2 397.273 2.215 20 0 GEADLO O=S1(=O)CCC[C@@H]([NH2+]Cc2c(Br)cncc2Br)C1 ZINC000290911394 532892292 /nfs/dbraw/zinc/89/22/92/532892292.db2.gz PFYVHGNFOGLHHH-MRVPVSSYSA-N 1 2 398.120 2.273 20 0 GEADLO Cc1cccc(C[C@@H](CO)Nc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000276276759 532892429 /nfs/dbraw/zinc/89/24/29/532892429.db2.gz HWCIXUKVUCWXJP-LBPRGKRZSA-N 1 2 376.258 2.450 20 0 GEADLO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000360662850 532890497 /nfs/dbraw/zinc/89/04/97/532890497.db2.gz PKJBTPRHUHOHNV-SECBINFHSA-N 1 2 375.907 2.271 20 0 GEADLO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000360662850 532890498 /nfs/dbraw/zinc/89/04/98/532890498.db2.gz PKJBTPRHUHOHNV-SECBINFHSA-N 1 2 375.907 2.271 20 0 GEADLO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1ccncc1Cl ZINC000421846439 532890623 /nfs/dbraw/zinc/89/06/23/532890623.db2.gz SOHDMEACXONNEF-ZDUSSCGKSA-N 1 2 383.901 2.199 20 0 GEADLO Cn1cc(Br)cc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c1=O ZINC000361388734 532893136 /nfs/dbraw/zinc/89/31/36/532893136.db2.gz GJGCAYZGCPJJOV-LBPRGKRZSA-N 1 2 391.269 2.398 20 0 GEADLO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCn2c[nH+]cc2C1 ZINC000291033386 532895594 /nfs/dbraw/zinc/89/55/94/532895594.db2.gz FKXZCQZKRDEBRG-GFCCVEGCSA-N 1 2 389.253 2.041 20 0 GEADLO Cc1c(C(=O)N2CCn3c[nH+]cc3C2)nnn1-c1cccc(Br)c1 ZINC000291122194 532896324 /nfs/dbraw/zinc/89/63/24/532896324.db2.gz NKMDHCBMHYNZAO-UHFFFAOYSA-N 1 2 387.241 2.191 20 0 GEADLO O=C(C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1)Nc1ccc(Br)cn1 ZINC000363158602 532897179 /nfs/dbraw/zinc/89/71/79/532897179.db2.gz BWVMRPQAQQZVHY-CQSZACIVSA-N 1 2 395.301 2.260 20 0 GEADLO O=C(C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1)Nc1ccc(Br)cn1 ZINC000363158602 532897180 /nfs/dbraw/zinc/89/71/80/532897180.db2.gz BWVMRPQAQQZVHY-CQSZACIVSA-N 1 2 395.301 2.260 20 0 GEADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000363223605 532897779 /nfs/dbraw/zinc/89/77/79/532897779.db2.gz FLEYITXPGLRJHZ-ZDUSSCGKSA-N 1 2 381.479 2.334 20 0 GEADLO CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1[nH]cc[nH+]1 ZINC000276558211 532897854 /nfs/dbraw/zinc/89/78/54/532897854.db2.gz GZSWRPNLMOWMSU-CQSZACIVSA-N 1 2 384.889 2.441 20 0 GEADLO COCC[C@@H]1COCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000291184812 532898117 /nfs/dbraw/zinc/89/81/17/532898117.db2.gz IFCUUBPBJOLVFL-XJKSGUPXSA-N 1 2 385.302 2.364 20 0 GEADLO COCC[C@@H]1COCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000291184812 532898120 /nfs/dbraw/zinc/89/81/20/532898120.db2.gz IFCUUBPBJOLVFL-XJKSGUPXSA-N 1 2 385.302 2.364 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3CC[C@@H](O)C3)[nH+]c12 ZINC000276690318 532899856 /nfs/dbraw/zinc/89/98/56/532899856.db2.gz WBWMLGBAJGVVAS-IUODEOHRSA-N 1 2 395.301 2.408 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CC[C@@H](O)C3)[nH+]c12 ZINC000276684133 532900000 /nfs/dbraw/zinc/90/00/00/532900000.db2.gz VJMBEPSCKUAQLZ-BXUZGUMPSA-N 1 2 381.274 2.365 20 0 GEADLO Cc1csc(C(=O)NCC[NH+]2CCSCC2)c1I ZINC000276573253 532898455 /nfs/dbraw/zinc/89/84/55/532898455.db2.gz UGZNLZXOWJEKCF-UHFFFAOYSA-N 1 2 396.319 2.440 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)c3ncnn3C)[nH+]c12 ZINC000276648595 532899002 /nfs/dbraw/zinc/89/90/02/532899002.db2.gz QIRSUFPPJRTPDE-JTQLQIEISA-N 1 2 392.261 2.094 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)c3ncnn3C)[nH+]c12 ZINC000276648599 532899138 /nfs/dbraw/zinc/89/91/38/532899138.db2.gz QIRSUFPPJRTPDE-SNVBAGLBSA-N 1 2 392.261 2.094 20 0 GEADLO O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000363942208 532902227 /nfs/dbraw/zinc/90/22/27/532902227.db2.gz UBENDFHPXYBPJJ-MRXNPFEDSA-N 1 2 379.298 2.414 20 0 GEADLO CCOC(=O)c1ccc(N2CC[NH+]([C@@H](C(=O)N(C)C)c3ccccc3)CC2)nc1 ZINC000026138455 207309991 /nfs/dbraw/zinc/30/99/91/207309991.db2.gz UJYQOANLQBVUJE-HXUWFJFHSA-N 1 2 396.491 2.210 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363928513 532902324 /nfs/dbraw/zinc/90/23/24/532902324.db2.gz CCUJOEMLSDNVEU-DZGCQCFKSA-N 1 2 383.286 2.150 20 0 GEADLO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCn2c[nH+]cc2C1 ZINC000291524857 532903533 /nfs/dbraw/zinc/90/35/33/532903533.db2.gz KPCZVLMFLIXJNK-CYBMUJFWSA-N 1 2 381.205 2.444 20 0 GEADLO NC(=O)c1noc([C@H]2CCC[N@@H+]2CCOc2cc(F)cc(Br)c2)n1 ZINC000364606915 532907262 /nfs/dbraw/zinc/90/72/62/532907262.db2.gz KYJXJSHSCDTBCQ-GFCCVEGCSA-N 1 2 399.220 2.286 20 0 GEADLO NC(=O)c1noc([C@H]2CCC[N@H+]2CCOc2cc(F)cc(Br)c2)n1 ZINC000364606915 532907264 /nfs/dbraw/zinc/90/72/64/532907264.db2.gz KYJXJSHSCDTBCQ-GFCCVEGCSA-N 1 2 399.220 2.286 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCCc2cc(Cl)sc2Cl)CC1 ZINC000365961407 532913454 /nfs/dbraw/zinc/91/34/54/532913454.db2.gz JPTDPPNKQVRKRB-UHFFFAOYSA-N 1 2 378.325 2.397 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)CCCc2cc(Cl)sc2Cl)CC1 ZINC000365961407 532913455 /nfs/dbraw/zinc/91/34/55/532913455.db2.gz JPTDPPNKQVRKRB-UHFFFAOYSA-N 1 2 378.325 2.397 20 0 GEADLO CCc1n[nH]c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1Br ZINC000366061202 532914190 /nfs/dbraw/zinc/91/41/90/532914190.db2.gz ZYJXQWYABCJEAR-LBPRGKRZSA-N 1 2 385.306 2.062 20 0 GEADLO C[C@H](C(=O)N1CC[C@@H](Nc2cccc(Br)c2)C1)[NH+]1CCN(C)CC1 ZINC000366811416 532921408 /nfs/dbraw/zinc/92/14/08/532921408.db2.gz QCJMHNIRXDHGRK-RHSMWYFYSA-N 1 2 395.345 2.098 20 0 GEADLO O=c1c(Br)c(N2CC[NH+](C3CCC3)CC2)cnn1-c1ccccn1 ZINC000293181263 532923206 /nfs/dbraw/zinc/92/32/06/532923206.db2.gz VWQSSLOEQYVFOM-UHFFFAOYSA-N 1 2 390.285 2.065 20 0 GEADLO C[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)C[C@H](C)[N@H+]1C ZINC000293262337 532924217 /nfs/dbraw/zinc/92/42/17/532924217.db2.gz BKKHGOXRJFWWGU-BETUJISGSA-N 1 2 375.332 2.247 20 0 GEADLO C[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)C[C@H](C)[N@@H+]1C ZINC000293262337 532924218 /nfs/dbraw/zinc/92/42/18/532924218.db2.gz BKKHGOXRJFWWGU-BETUJISGSA-N 1 2 375.332 2.247 20 0 GEADLO COCCn1nnc2c1CC[N@H+](CCOc1cc(F)cc(Br)c1)C2 ZINC000293278373 532924463 /nfs/dbraw/zinc/92/44/63/532924463.db2.gz OBCMRQRZTMZIER-UHFFFAOYSA-N 1 2 399.264 2.263 20 0 GEADLO COCCn1nnc2c1CC[N@@H+](CCOc1cc(F)cc(Br)c1)C2 ZINC000293278373 532924464 /nfs/dbraw/zinc/92/44/64/532924464.db2.gz OBCMRQRZTMZIER-UHFFFAOYSA-N 1 2 399.264 2.263 20 0 GEADLO NC(=O)C[C@@H]1CC[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000367701975 532926440 /nfs/dbraw/zinc/92/64/40/532926440.db2.gz HBPYOQLXWMIQNX-QMMMGPOBSA-N 1 2 377.080 2.304 20 0 GEADLO NC(=O)C[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000367701975 532926441 /nfs/dbraw/zinc/92/64/41/532926441.db2.gz HBPYOQLXWMIQNX-QMMMGPOBSA-N 1 2 377.080 2.304 20 0 GEADLO Nc1c(Br)cc(Br)cc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367840682 532927804 /nfs/dbraw/zinc/92/78/04/532927804.db2.gz RIVAJIMFEBLOAV-URLYPYJESA-N 1 2 376.092 2.464 20 0 GEADLO Nc1c(Br)cc(Br)cc1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367840682 532927806 /nfs/dbraw/zinc/92/78/06/532927806.db2.gz RIVAJIMFEBLOAV-URLYPYJESA-N 1 2 376.092 2.464 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000367973579 532929071 /nfs/dbraw/zinc/92/90/71/532929071.db2.gz PILNZWOBSSSSJN-UHFFFAOYSA-N 1 2 383.411 2.159 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000367973579 532929072 /nfs/dbraw/zinc/92/90/72/532929072.db2.gz PILNZWOBSSSSJN-UHFFFAOYSA-N 1 2 383.411 2.159 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CCn3c[nH+]cc3C2)c(Cl)cc1Cl ZINC000368010946 532929397 /nfs/dbraw/zinc/92/93/97/532929397.db2.gz DGBXCSFOESUXFA-UHFFFAOYSA-N 1 2 390.248 2.181 20 0 GEADLO Cc1cc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)ccc1Br ZINC000368073390 532930001 /nfs/dbraw/zinc/93/00/01/532930001.db2.gz RLUVUKKTSIMPSE-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO Cc1cc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)ccc1Br ZINC000368073390 532930002 /nfs/dbraw/zinc/93/00/02/532930002.db2.gz RLUVUKKTSIMPSE-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO CC(=O)N1CC[NH+](C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000293360190 532925848 /nfs/dbraw/zinc/92/58/48/532925848.db2.gz FASPGBONDDEIAB-OAHLLOKOSA-N 1 2 375.694 2.474 20 0 GEADLO CSc1ccc([C@H](C)[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1F ZINC000368222947 532930853 /nfs/dbraw/zinc/93/08/53/532930853.db2.gz IMYZBBPWOLTCSD-ZDUSSCGKSA-N 1 2 375.535 2.423 20 0 GEADLO CSc1ccc([C@H](C)[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1F ZINC000368222947 532930855 /nfs/dbraw/zinc/93/08/55/532930855.db2.gz IMYZBBPWOLTCSD-ZDUSSCGKSA-N 1 2 375.535 2.423 20 0 GEADLO Brc1ccc(-c2c[nH]c(C[N@@H+]3CCN4CCOC[C@H]4C3)n2)cc1 ZINC000368285613 532931164 /nfs/dbraw/zinc/93/11/64/532931164.db2.gz WJXCMIBJHQLBQA-OAHLLOKOSA-N 1 2 377.286 2.356 20 0 GEADLO Brc1ccc(-c2c[nH]c(C[N@H+]3CCN4CCOC[C@H]4C3)n2)cc1 ZINC000368285613 532931165 /nfs/dbraw/zinc/93/11/65/532931165.db2.gz WJXCMIBJHQLBQA-OAHLLOKOSA-N 1 2 377.286 2.356 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c(Br)c1OC ZINC000368353587 532931800 /nfs/dbraw/zinc/93/18/00/532931800.db2.gz BFDXVDHJZOBZTP-LLVKDONJSA-N 1 2 392.315 2.333 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c(Br)c1OC ZINC000368353587 532931801 /nfs/dbraw/zinc/93/18/01/532931801.db2.gz BFDXVDHJZOBZTP-LLVKDONJSA-N 1 2 392.315 2.333 20 0 GEADLO CSCc1cnc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)s1 ZINC000294026270 532935045 /nfs/dbraw/zinc/93/50/45/532935045.db2.gz VFUBXLMPEKPOCD-UHFFFAOYSA-N 1 2 387.552 2.164 20 0 GEADLO CSCc1cnc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)s1 ZINC000294026270 532935046 /nfs/dbraw/zinc/93/50/46/532935046.db2.gz VFUBXLMPEKPOCD-UHFFFAOYSA-N 1 2 387.552 2.164 20 0 GEADLO O=C(NCc1ccc(F)c(Cl)c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000368876918 532935150 /nfs/dbraw/zinc/93/51/50/532935150.db2.gz NCRDZBSRTJZLKW-KRWDZBQOSA-N 1 2 387.908 2.486 20 0 GEADLO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCCn2nnnc21 ZINC000294093242 532935587 /nfs/dbraw/zinc/93/55/87/532935587.db2.gz ROKFUMJPKBWYEQ-CQSZACIVSA-N 1 2 391.273 2.009 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1ccnc(Br)c1 ZINC000294190785 532936949 /nfs/dbraw/zinc/93/69/49/532936949.db2.gz KJTUOAQDAQHUHC-UHFFFAOYSA-N 1 2 392.257 2.397 20 0 GEADLO O=C(CS(=O)(=O)C1CCCC1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000294291723 532937699 /nfs/dbraw/zinc/93/76/99/532937699.db2.gz HFJFZGZDDFFGCD-UHFFFAOYSA-N 1 2 381.885 2.499 20 0 GEADLO O=C1C[C@@]2(CC[N@@H+](Cc3ncc(Br)cc3Br)C2)CN1 ZINC000369304715 532938164 /nfs/dbraw/zinc/93/81/64/532938164.db2.gz FLVYJFREVWQVGJ-ZDUSSCGKSA-N 1 2 389.091 2.319 20 0 GEADLO O=C1C[C@@]2(CC[N@H+](Cc3ncc(Br)cc3Br)C2)CN1 ZINC000369304715 532938166 /nfs/dbraw/zinc/93/81/66/532938166.db2.gz FLVYJFREVWQVGJ-ZDUSSCGKSA-N 1 2 389.091 2.319 20 0 GEADLO CCc1noc([C@H]2C[C@H](O)CN2Cc2c[nH+]c3ccc(Br)cn23)n1 ZINC000369782444 532940828 /nfs/dbraw/zinc/94/08/28/532940828.db2.gz DTNZNGJABCRZRO-QWHCGFSZSA-N 1 2 392.257 2.350 20 0 GEADLO O=C(C[NH+]1CCC(CN2CCCC2=O)CC1)Nc1ccc(Br)cn1 ZINC000369816627 532941062 /nfs/dbraw/zinc/94/10/62/532941062.db2.gz URXBELFALIXMNG-UHFFFAOYSA-N 1 2 395.301 2.117 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000370092365 532942131 /nfs/dbraw/zinc/94/21/31/532942131.db2.gz MOWAVFOUUVEKPW-IACUBPJLSA-N 1 2 381.929 2.316 20 0 GEADLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000370677902 532944870 /nfs/dbraw/zinc/94/48/70/532944870.db2.gz RBVPNCWXKRTOTP-NSHDSACASA-N 1 2 376.770 2.452 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000370856167 532945696 /nfs/dbraw/zinc/94/56/96/532945696.db2.gz LAMNTRYNJMJADW-WFASDCNBSA-N 1 2 380.432 2.141 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000370856167 532945697 /nfs/dbraw/zinc/94/56/97/532945697.db2.gz LAMNTRYNJMJADW-WFASDCNBSA-N 1 2 380.432 2.141 20 0 GEADLO O=C(CSCc1cc(=O)n2ccsc2n1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371443359 532948248 /nfs/dbraw/zinc/94/82/48/532948248.db2.gz POSCVRKLBBYJQU-GFCCVEGCSA-N 1 2 375.479 2.076 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000371540953 532948654 /nfs/dbraw/zinc/94/86/54/532948654.db2.gz LJEVZDUEQZPXAN-ZIAGYGMSSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000371540953 532948655 /nfs/dbraw/zinc/94/86/55/532948655.db2.gz LJEVZDUEQZPXAN-ZIAGYGMSSA-N 1 2 384.307 2.377 20 0 GEADLO COc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)sc1Br ZINC000371153405 532947171 /nfs/dbraw/zinc/94/71/71/532947171.db2.gz BHHYBZCKSUVLCC-JTQLQIEISA-N 1 2 375.288 2.066 20 0 GEADLO Cc1nn(-c2ccc(-c3nn[nH]n3)cc2)c(NC(=O)CCCn2cc[nH+]c2)c1C ZINC000737504108 598839417 /nfs/dbraw/zinc/83/94/17/598839417.db2.gz ORKKREJJNROQJG-UHFFFAOYSA-N 1 2 391.439 2.285 20 0 GEADLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000738207399 598917451 /nfs/dbraw/zinc/91/74/51/598917451.db2.gz HWNZQBQIPWPRSD-OAHLLOKOSA-N 1 2 399.480 2.195 20 0 GEADLO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000738207399 598917453 /nfs/dbraw/zinc/91/74/53/598917453.db2.gz HWNZQBQIPWPRSD-OAHLLOKOSA-N 1 2 399.480 2.195 20 0 GEADLO O=C(NCCn1cc[nH+]c1)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000738095461 598926963 /nfs/dbraw/zinc/92/69/63/598926963.db2.gz VJKCAWUDTXEGOA-UHFFFAOYSA-N 1 2 389.419 2.072 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736205084 598962614 /nfs/dbraw/zinc/96/26/14/598962614.db2.gz XEKPNEYPDUYZCA-CQSZACIVSA-N 1 2 378.440 2.172 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736202757 598963010 /nfs/dbraw/zinc/96/30/10/598963010.db2.gz JMFKSBMEMMJYKP-CQSZACIVSA-N 1 2 378.440 2.172 20 0 GEADLO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738041579 598984161 /nfs/dbraw/zinc/98/41/61/598984161.db2.gz SICWOEKHYQIHBV-KRWDZBQOSA-N 1 2 397.870 2.482 20 0 GEADLO O=C(CSCc1ccc(-c2nn[nH]n2)cc1)NCCCNc1cccc[nH+]1 ZINC000737932211 599010339 /nfs/dbraw/zinc/01/03/39/599010339.db2.gz LESOOXGVYNDKSK-UHFFFAOYSA-N 1 2 383.481 2.113 20 0 GEADLO CCCOCc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736488678 599090942 /nfs/dbraw/zinc/09/09/42/599090942.db2.gz RBVRDCWCIGCISX-SFHVURJKSA-N 1 2 380.452 2.110 20 0 GEADLO Cc1cc(CN2CCN(c3c(-c4nn[nH]n4)c[nH+]c4c(C)cccc43)CC2)no1 ZINC000737261935 599121570 /nfs/dbraw/zinc/12/15/70/599121570.db2.gz IJTDNWIJAKEQRD-UHFFFAOYSA-N 1 2 390.451 2.342 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000737300559 599193179 /nfs/dbraw/zinc/19/31/79/599193179.db2.gz AYHLVPKHNRVFAR-UHFFFAOYSA-N 1 2 381.421 2.162 20 0 GEADLO COc1cc(OC)c(OC)cc1CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000737051976 599259642 /nfs/dbraw/zinc/25/96/42/599259642.db2.gz OJBXFVWRAJYKBG-UHFFFAOYSA-N 1 2 392.419 2.475 20 0 GEADLO COc1ccc(CNc2ccccc2C[NH+]2CCOCC2)cc1-c1nn[nH]n1 ZINC000821824485 607313235 /nfs/dbraw/zinc/31/32/35/607313235.db2.gz KMKQCBLUVLGYPQ-UHFFFAOYSA-N 1 2 380.452 2.320 20 0 GEADLO Cc1cccc2c(NCc3nnc4n3CCCCC4)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822337635 607303434 /nfs/dbraw/zinc/30/34/34/607303434.db2.gz ZOVMXEOJNTVAOI-UHFFFAOYSA-N 1 2 375.440 2.075 20 0 GEADLO Clc1ccc(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)nn1 ZINC000737577108 599268645 /nfs/dbraw/zinc/26/86/45/599268645.db2.gz RWUDHTDYQHIOEZ-UHFFFAOYSA-N 1 2 393.842 2.185 20 0 GEADLO O=C(C[N@@H+]1CCS[C@H](c2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737884675 599272515 /nfs/dbraw/zinc/27/25/15/599272515.db2.gz PVDWBBWDDMRTQC-SFHVURJKSA-N 1 2 394.504 2.273 20 0 GEADLO O=C(C[N@H+]1CCS[C@H](c2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737884675 599272516 /nfs/dbraw/zinc/27/25/16/599272516.db2.gz PVDWBBWDDMRTQC-SFHVURJKSA-N 1 2 394.504 2.273 20 0 GEADLO Fc1ccccc1OCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000737671173 598256900 /nfs/dbraw/zinc/25/69/00/598256900.db2.gz ZYMFAZDOQCWXQR-UHFFFAOYSA-N 1 2 386.406 2.346 20 0 GEADLO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736556066 598257111 /nfs/dbraw/zinc/25/71/11/598257111.db2.gz UTCLHEMPWCTMQI-CQSZACIVSA-N 1 2 389.406 2.407 20 0 GEADLO CC[N@H+](Cc1c(F)cccc1F)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736556066 598257112 /nfs/dbraw/zinc/25/71/12/598257112.db2.gz UTCLHEMPWCTMQI-CQSZACIVSA-N 1 2 389.406 2.407 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736096394 598329820 /nfs/dbraw/zinc/32/98/20/598329820.db2.gz LDHUBAZYPFAGTL-CYBMUJFWSA-N 1 2 393.407 2.054 20 0 GEADLO Cc1ncc(CN2CC[NH+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)s1 ZINC000737493002 598365130 /nfs/dbraw/zinc/36/51/30/598365130.db2.gz WLYAOPPITGVGGX-UHFFFAOYSA-N 1 2 394.508 2.202 20 0 GEADLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000737512141 598369106 /nfs/dbraw/zinc/36/91/06/598369106.db2.gz WYYSBVFBOOWKIG-AWEZNQCLSA-N 1 2 398.471 2.202 20 0 GEADLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000737512141 598369107 /nfs/dbraw/zinc/36/91/07/598369107.db2.gz WYYSBVFBOOWKIG-AWEZNQCLSA-N 1 2 398.471 2.202 20 0 GEADLO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000735659477 598374911 /nfs/dbraw/zinc/37/49/11/598374911.db2.gz AHQBYTGUALYKDZ-UHFFFAOYSA-N 1 2 383.460 2.489 20 0 GEADLO Clc1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1-c1nn[nH]n1 ZINC000737574241 598571315 /nfs/dbraw/zinc/57/13/15/598571315.db2.gz NBTUJGXEIWMQJV-CQSZACIVSA-N 1 2 385.859 2.228 20 0 GEADLO Clc1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1-c1nn[nH]n1 ZINC000737574241 598571317 /nfs/dbraw/zinc/57/13/17/598571317.db2.gz NBTUJGXEIWMQJV-CQSZACIVSA-N 1 2 385.859 2.228 20 0 GEADLO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000738232924 598595534 /nfs/dbraw/zinc/59/55/34/598595534.db2.gz AZAHNEFMLXMMAD-GOSISDBHSA-N 1 2 393.447 2.453 20 0 GEADLO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000738232924 598595537 /nfs/dbraw/zinc/59/55/37/598595537.db2.gz AZAHNEFMLXMMAD-GOSISDBHSA-N 1 2 393.447 2.453 20 0 GEADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000738232926 598595899 /nfs/dbraw/zinc/59/58/99/598595899.db2.gz AZAHNEFMLXMMAD-SFHVURJKSA-N 1 2 393.447 2.453 20 0 GEADLO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000738232926 598595901 /nfs/dbraw/zinc/59/59/01/598595901.db2.gz AZAHNEFMLXMMAD-SFHVURJKSA-N 1 2 393.447 2.453 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737875135 598614665 /nfs/dbraw/zinc/61/46/65/598614665.db2.gz CCPKCJBKCKQTQB-INIZCTEOSA-N 1 2 392.419 2.371 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737875135 598614667 /nfs/dbraw/zinc/61/46/67/598614667.db2.gz CCPKCJBKCKQTQB-INIZCTEOSA-N 1 2 392.419 2.371 20 0 GEADLO O=C(CSc1ccc(-c2nn[nH]n2)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000737939932 598653985 /nfs/dbraw/zinc/65/39/85/598653985.db2.gz DBURDVFJYUXUPL-UHFFFAOYSA-N 1 2 395.492 2.139 20 0 GEADLO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000735659526 598698546 /nfs/dbraw/zinc/69/85/46/598698546.db2.gz BVOQMAMGMARDMS-CQSZACIVSA-N 1 2 383.460 2.489 20 0 GEADLO COCC[N@H+](CCc1ccccc1)CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000821689924 607365842 /nfs/dbraw/zinc/36/58/42/607365842.db2.gz RUNJDLHXKYZKOF-UHFFFAOYSA-N 1 2 398.467 2.206 20 0 GEADLO COCC[N@@H+](CCc1ccccc1)CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000821689924 607365844 /nfs/dbraw/zinc/36/58/44/607365844.db2.gz RUNJDLHXKYZKOF-UHFFFAOYSA-N 1 2 398.467 2.206 20 0 GEADLO C[C@H]1c2ccccc2OCC[N@@H+]1[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736302318 598762662 /nfs/dbraw/zinc/76/26/62/598762662.db2.gz GKBHZBCUXZVFRW-KBXCAEBGSA-N 1 2 390.447 2.428 20 0 GEADLO C[C@H]1c2ccccc2OCC[N@H+]1[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736302318 598762664 /nfs/dbraw/zinc/76/26/64/598762664.db2.gz GKBHZBCUXZVFRW-KBXCAEBGSA-N 1 2 390.447 2.428 20 0 GEADLO O=C(C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)Nc1cccc(F)c1 ZINC000737877858 598766916 /nfs/dbraw/zinc/76/69/16/598766916.db2.gz WZGKIBLZTDSCNR-UHFFFAOYSA-N 1 2 396.426 2.488 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000823265676 599408954 /nfs/dbraw/zinc/40/89/54/599408954.db2.gz DRZUWXREDLHJSX-UHFFFAOYSA-N 1 2 396.430 2.000 20 0 GEADLO Cc1cccc(C[NH+]2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)n1 ZINC000737393382 599445898 /nfs/dbraw/zinc/44/58/98/599445898.db2.gz INKZTMOVBAJHTA-UHFFFAOYSA-N 1 2 386.463 2.441 20 0 GEADLO CCc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)o1 ZINC000736686035 599447835 /nfs/dbraw/zinc/44/78/35/599447835.db2.gz NSOMXRUUCSQPGD-QGZVFWFLSA-N 1 2 396.451 2.424 20 0 GEADLO CCc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)o1 ZINC000736686035 599447837 /nfs/dbraw/zinc/44/78/37/599447837.db2.gz NSOMXRUUCSQPGD-QGZVFWFLSA-N 1 2 396.451 2.424 20 0 GEADLO CN(c1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000821619038 599532140 /nfs/dbraw/zinc/53/21/40/599532140.db2.gz GTSDZEOTQVOVAD-CQSZACIVSA-N 1 2 387.451 2.310 20 0 GEADLO CNc1cc(N2CCC[C@H]2CNc2ccc(Cl)cc2-c2nn[nH]n2)nc[nH+]1 ZINC000821637424 599532172 /nfs/dbraw/zinc/53/21/72/599532172.db2.gz FSHDTFYEMOLOAG-LBPRGKRZSA-N 1 2 385.863 2.433 20 0 GEADLO Cc1ccc(N2CCC[C@@H](Nc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)nn1 ZINC000822242513 599533179 /nfs/dbraw/zinc/53/31/79/599533179.db2.gz NKLBAPFTOZNLFD-CQSZACIVSA-N 1 2 387.451 2.016 20 0 GEADLO O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](Cn2cccnc2=S)CC1 ZINC000738177606 599579136 /nfs/dbraw/zinc/57/91/36/599579136.db2.gz KJSIOZRQBNLSPB-UHFFFAOYSA-N 1 2 396.480 2.101 20 0 GEADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821651591 599639632 /nfs/dbraw/zinc/63/96/32/599639632.db2.gz BZPWTTJEIXKTQF-GOSISDBHSA-N 1 2 394.435 2.041 20 0 GEADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821651591 599639633 /nfs/dbraw/zinc/63/96/33/599639633.db2.gz BZPWTTJEIXKTQF-GOSISDBHSA-N 1 2 394.435 2.041 20 0 GEADLO Cc1cc(N2CCN(C(=O)c3cccc(-c4nn[nH]n4)c3)CC2)nc(C(C)C)[nH+]1 ZINC000822207036 599700023 /nfs/dbraw/zinc/70/00/23/599700023.db2.gz IYPNGYUBBMITBZ-UHFFFAOYSA-N 1 2 392.467 2.051 20 0 GEADLO O=C([O-])[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000262254564 599709167 /nfs/dbraw/zinc/70/91/67/599709167.db2.gz DZQQGMDXMYZFNZ-KRWDZBQOSA-N 1 2 377.510 2.113 20 0 GEADLO O=C([O-])[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000262254564 599709169 /nfs/dbraw/zinc/70/91/69/599709169.db2.gz DZQQGMDXMYZFNZ-KRWDZBQOSA-N 1 2 377.510 2.113 20 0 GEADLO C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3c4ccccc4sc3C(=O)[O-])CCO2)CC1 ZINC000737526700 599970519 /nfs/dbraw/zinc/97/05/19/599970519.db2.gz WTDNHJOOLLSLMO-OAHLLOKOSA-N 1 2 389.521 2.048 20 0 GEADLO C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3c4ccccc4sc3C(=O)[O-])CCO2)CC1 ZINC000737526700 599970528 /nfs/dbraw/zinc/97/05/28/599970528.db2.gz WTDNHJOOLLSLMO-OAHLLOKOSA-N 1 2 389.521 2.048 20 0 GEADLO O=C([O-])c1sc2ccccc2c1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000740278535 599980931 /nfs/dbraw/zinc/98/09/31/599980931.db2.gz HNLJHTKMZVYJKV-UHFFFAOYSA-N 1 2 387.505 2.340 20 0 GEADLO C[C@H](Sc1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000736712919 600495465 /nfs/dbraw/zinc/49/54/65/600495465.db2.gz RQWQOGVGSRHNCG-GJZGRUSLSA-N 1 2 391.537 2.150 20 0 GEADLO C[C@H](Sc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000736712919 600495466 /nfs/dbraw/zinc/49/54/66/600495466.db2.gz RQWQOGVGSRHNCG-GJZGRUSLSA-N 1 2 391.537 2.150 20 0 GEADLO C[C@H](C(=O)[O-])[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000826045259 601654079 /nfs/dbraw/zinc/65/40/79/601654079.db2.gz REXBGWCUPCDCGK-AVRDEDQJSA-N 1 2 395.503 2.382 20 0 GEADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(-c3nn[nH]n3)nc2)c(C)c1 ZINC000826283883 607543217 /nfs/dbraw/zinc/54/32/17/607543217.db2.gz DJYNTGNUHTWNJV-SFHVURJKSA-N 1 2 388.435 2.246 20 0 GEADLO CC[C@H](SC)C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000825160286 607577649 /nfs/dbraw/zinc/57/76/49/607577649.db2.gz YTZDTFKUZIPLLF-INIZCTEOSA-N 1 2 397.508 2.205 20 0 GEADLO C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC[C@H](NC(=O)[O-])c3ccccc3)C2)CC1 ZINC000739731460 602716439 /nfs/dbraw/zinc/71/64/39/602716439.db2.gz KUNNUJBZIVQPMI-MJGOQNOKSA-N 1 2 388.512 2.060 20 0 GEADLO C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC[C@H](NC(=O)[O-])c3ccccc3)C2)CC1 ZINC000739731460 602716441 /nfs/dbraw/zinc/71/64/41/602716441.db2.gz KUNNUJBZIVQPMI-MJGOQNOKSA-N 1 2 388.512 2.060 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000826183565 607639194 /nfs/dbraw/zinc/63/91/94/607639194.db2.gz SWDJRTROGDKCBP-UHFFFAOYSA-N 1 2 386.406 2.476 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c(-c2nn[nH]n2)c1C ZINC000826341794 607641517 /nfs/dbraw/zinc/64/15/17/607641517.db2.gz QFARIQQZSJCWOT-OLZOCXBDSA-N 1 2 376.486 2.375 20 0 GEADLO Cc1oc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@H]32)c(-c2nn[nH]n2)c1C ZINC000826341794 607641519 /nfs/dbraw/zinc/64/15/19/607641519.db2.gz QFARIQQZSJCWOT-OLZOCXBDSA-N 1 2 376.486 2.375 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000828466535 603938671 /nfs/dbraw/zinc/93/86/71/603938671.db2.gz PGONRSGNKZTKHL-QZTJIDSGSA-N 1 2 382.549 2.077 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000828466535 603938673 /nfs/dbraw/zinc/93/86/73/603938673.db2.gz PGONRSGNKZTKHL-QZTJIDSGSA-N 1 2 382.549 2.077 20 0 GEADLO CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000830327523 604755982 /nfs/dbraw/zinc/75/59/82/604755982.db2.gz FABMZKPJTZSAKG-OALUTQOASA-N 1 2 396.491 2.121 20 0 GEADLO CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000830327523 604755986 /nfs/dbraw/zinc/75/59/86/604755986.db2.gz FABMZKPJTZSAKG-OALUTQOASA-N 1 2 396.491 2.121 20 0 GEADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c(C)c1 ZINC000826284182 607757128 /nfs/dbraw/zinc/75/71/28/607757128.db2.gz MJAXQEFDVIKWAU-QGZVFWFLSA-N 1 2 376.424 2.179 20 0 GEADLO Clc1ccccc1OCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000822591863 606034913 /nfs/dbraw/zinc/03/49/13/606034913.db2.gz YPCWSRUXGZIJSY-UHFFFAOYSA-N 1 2 385.859 2.116 20 0 GEADLO O=C([O-])N1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000834108522 606035681 /nfs/dbraw/zinc/03/56/81/606035681.db2.gz VJMHOOUYJHCWAA-GOSISDBHSA-N 1 2 377.485 2.020 20 0 GEADLO Oc1cccc(C[NH+]2CCN(Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)c1 ZINC000823733352 606078248 /nfs/dbraw/zinc/07/82/48/606078248.db2.gz UYWQPEATYXCSFM-UHFFFAOYSA-N 1 2 389.463 2.143 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562026 606186517 /nfs/dbraw/zinc/18/65/17/606186517.db2.gz MVLWCMPCFOWORD-SFHVURJKSA-N 1 2 383.477 2.478 20 0 GEADLO O=S(=O)(CC[N@H+]1CCC[C@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562026 606186519 /nfs/dbraw/zinc/18/65/19/606186519.db2.gz MVLWCMPCFOWORD-SFHVURJKSA-N 1 2 383.477 2.478 20 0 GEADLO Cc1nnc([C@@H]2CN(c3c(-c4nn[nH]n4)c[nH+]c4c(C)cc(C)cc43)CCO2)[nH]1 ZINC000822195201 606198396 /nfs/dbraw/zinc/19/83/96/606198396.db2.gz JYPFASGPPWJEND-HNNXBMFYSA-N 1 2 391.439 2.036 20 0 GEADLO C[C@@H](C(=O)OCCOc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000819884178 606226593 /nfs/dbraw/zinc/22/65/93/606226593.db2.gz SUNPGUVXKOSJEB-HNNXBMFYSA-N 1 2 381.436 2.309 20 0 GEADLO C[C@@H](C(=O)OCCOc1ccccc1-c1nn[nH]n1)[N@@H+](C)Cc1ccccc1 ZINC000819884178 606226595 /nfs/dbraw/zinc/22/65/95/606226595.db2.gz SUNPGUVXKOSJEB-HNNXBMFYSA-N 1 2 381.436 2.309 20 0 GEADLO CC(C)=C(C)C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000820004775 606284401 /nfs/dbraw/zinc/28/44/01/606284401.db2.gz BNRLFHBDNIKLAB-UHFFFAOYSA-N 1 2 377.452 2.420 20 0 GEADLO CC(C)[N@H+](CC(=O)NCC(=O)c1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820112087 606317153 /nfs/dbraw/zinc/31/71/53/606317153.db2.gz JAYCAYMKSPANRX-UHFFFAOYSA-N 1 2 392.463 2.076 20 0 GEADLO CC(C)[N@@H+](CC(=O)NCC(=O)c1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820112087 606317154 /nfs/dbraw/zinc/31/71/54/606317154.db2.gz JAYCAYMKSPANRX-UHFFFAOYSA-N 1 2 392.463 2.076 20 0 GEADLO Cc1ncc(C[NH+]2CCN(c3ccc(Cl)c(-c4nn[nH]n4)n3)CC2)s1 ZINC000822471867 606464848 /nfs/dbraw/zinc/46/48/48/606464848.db2.gz LNLHUYIIQXOQAN-UHFFFAOYSA-N 1 2 376.877 2.002 20 0 GEADLO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000821794944 606523330 /nfs/dbraw/zinc/52/33/30/606523330.db2.gz QRSWDAHXNMEAFN-UHFFFAOYSA-N 1 2 398.492 2.285 20 0 GEADLO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000821794944 606523332 /nfs/dbraw/zinc/52/33/32/606523332.db2.gz QRSWDAHXNMEAFN-UHFFFAOYSA-N 1 2 398.492 2.285 20 0 GEADLO Fc1cccnc1N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822795925 606593170 /nfs/dbraw/zinc/59/31/70/606593170.db2.gz JBXTYVITISRLCK-UHFFFAOYSA-N 1 2 376.399 2.276 20 0 GEADLO CN(CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000821602771 606646529 /nfs/dbraw/zinc/64/65/29/606646529.db2.gz UBYZIOKVZHYTKG-UHFFFAOYSA-N 1 2 377.496 2.121 20 0 GEADLO Cc1cccc(C[NH+]2CCN(C(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000822303701 606662324 /nfs/dbraw/zinc/66/23/24/606662324.db2.gz GDCITDKUCKMMMF-UHFFFAOYSA-N 1 2 398.417 2.411 20 0 GEADLO COc1ccc(-n2cc(CNc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)nn2)cc1 ZINC000821769829 606725082 /nfs/dbraw/zinc/72/50/82/606725082.db2.gz KYRCYQPEYPNMSP-UHFFFAOYSA-N 1 2 399.418 2.038 20 0 GEADLO CC[C@H](Nc1cccc(-c2nn[nH]n2)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000820924910 606725697 /nfs/dbraw/zinc/72/56/97/606725697.db2.gz BTNPUJGAQVKMGN-FUHWJXTLSA-N 1 2 379.468 2.353 20 0 GEADLO CC[C@H](Nc1cccc(-c2nn[nH]n2)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000820924910 606725699 /nfs/dbraw/zinc/72/56/99/606725699.db2.gz BTNPUJGAQVKMGN-FUHWJXTLSA-N 1 2 379.468 2.353 20 0 GEADLO Cc1oc(NC(=O)C[N@H+](C)CCOCc2ccccc2)c(-c2nn[nH]n2)c1C ZINC000822548839 606776482 /nfs/dbraw/zinc/77/64/82/606776482.db2.gz PDBNKEGGAJDKRI-UHFFFAOYSA-N 1 2 384.440 2.164 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+](C)CCOCc2ccccc2)c(-c2nn[nH]n2)c1C ZINC000822548839 606776484 /nfs/dbraw/zinc/77/64/84/606776484.db2.gz PDBNKEGGAJDKRI-UHFFFAOYSA-N 1 2 384.440 2.164 20 0 GEADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000823713640 606788935 /nfs/dbraw/zinc/78/89/35/606788935.db2.gz GWEODRJFDBJSHV-QGZVFWFLSA-N 1 2 389.419 2.008 20 0 GEADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000823713640 606788936 /nfs/dbraw/zinc/78/89/36/606788936.db2.gz GWEODRJFDBJSHV-QGZVFWFLSA-N 1 2 389.419 2.008 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000820031698 606809046 /nfs/dbraw/zinc/80/90/46/606809046.db2.gz HOSRGONIYFFJQE-GOSISDBHSA-N 1 2 391.435 2.234 20 0 GEADLO CCOC(=O)C[N@H+](CCc1ccccc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821330725 606896998 /nfs/dbraw/zinc/89/69/98/606896998.db2.gz PGHXQGMIEXQEHC-LJQANCHMSA-N 1 2 395.463 2.008 20 0 GEADLO CCOC(=O)C[N@@H+](CCc1ccccc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821330725 606896999 /nfs/dbraw/zinc/89/69/99/606896999.db2.gz PGHXQGMIEXQEHC-LJQANCHMSA-N 1 2 395.463 2.008 20 0 GEADLO O[C@@H](C[NH2+]C1(c2noc(C3CC3)n2)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682437 606906430 /nfs/dbraw/zinc/90/64/30/606906430.db2.gz QBUNPZDACLILQA-HNNXBMFYSA-N 1 2 381.440 2.220 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccccn3)C2)c(-c2nn[nH]n2)c1C ZINC000822557024 606934159 /nfs/dbraw/zinc/93/41/59/606934159.db2.gz FKIQQPHEGCYJLA-CYBMUJFWSA-N 1 2 399.480 2.032 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccccn3)C2)c(-c2nn[nH]n2)c1C ZINC000822557024 606934160 /nfs/dbraw/zinc/93/41/60/606934160.db2.gz FKIQQPHEGCYJLA-CYBMUJFWSA-N 1 2 399.480 2.032 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@H](c2ccsc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822968842 606982464 /nfs/dbraw/zinc/98/24/64/606982464.db2.gz BSMQVRWAKKAYOV-INIZCTEOSA-N 1 2 384.465 2.330 20 0 GEADLO O=C(CC[N@H+]1CCO[C@H](c2ccsc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822968842 606982466 /nfs/dbraw/zinc/98/24/66/606982466.db2.gz BSMQVRWAKKAYOV-INIZCTEOSA-N 1 2 384.465 2.330 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCC(=O)OC(C)(C)C)c(-c2nn[nH]n2)c1C ZINC000822540415 606984457 /nfs/dbraw/zinc/98/44/57/606984457.db2.gz APQOUYAJSJQGTD-NSHDSACASA-N 1 2 392.460 2.067 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCC(=O)OC(C)(C)C)c(-c2nn[nH]n2)c1C ZINC000822540415 606984458 /nfs/dbraw/zinc/98/44/58/606984458.db2.gz APQOUYAJSJQGTD-NSHDSACASA-N 1 2 392.460 2.067 20 0 GEADLO CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC000820196756 607046852 /nfs/dbraw/zinc/04/68/52/607046852.db2.gz BZMTZEGCNOUQRH-MRXNPFEDSA-N 1 2 395.467 2.325 20 0 GEADLO CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC000820196756 607046854 /nfs/dbraw/zinc/04/68/54/607046854.db2.gz BZMTZEGCNOUQRH-MRXNPFEDSA-N 1 2 395.467 2.325 20 0 GEADLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000446047090 649969636 /nfs/dbraw/zinc/96/96/36/649969636.db2.gz NPZOKIZSMYHAAO-JTQLQIEISA-N 1 2 378.325 2.380 20 0 GEADLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000446047090 649969641 /nfs/dbraw/zinc/96/96/41/649969641.db2.gz NPZOKIZSMYHAAO-JTQLQIEISA-N 1 2 378.325 2.380 20 0 GEADLO CCc1nc(CN2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)cs1 ZINC000821509988 607060809 /nfs/dbraw/zinc/06/08/09/607060809.db2.gz RPSGPPNVEPVWKL-UHFFFAOYSA-N 1 2 387.488 2.343 20 0 GEADLO C[C@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000820716950 607062250 /nfs/dbraw/zinc/06/22/50/607062250.db2.gz NEGFPOWMKFRTEB-WMLDXEAASA-N 1 2 395.467 2.330 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000821763486 607094643 /nfs/dbraw/zinc/09/46/43/607094643.db2.gz ZTBBHPYETYYPCS-SWLSCSKDSA-N 1 2 382.428 2.187 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCS[C@H]2CCCC[C@H]21)c1cccc(-c2nn[nH]n2)c1 ZINC000826484534 607829372 /nfs/dbraw/zinc/82/93/72/607829372.db2.gz HCEQXYKQNKVOLU-CVEARBPZSA-N 1 2 393.538 2.000 20 0 GEADLO O=S(=O)(CC[N@H+]1CCS[C@H]2CCCC[C@H]21)c1cccc(-c2nn[nH]n2)c1 ZINC000826484534 607829373 /nfs/dbraw/zinc/82/93/73/607829373.db2.gz HCEQXYKQNKVOLU-CVEARBPZSA-N 1 2 393.538 2.000 20 0 GEADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc(-c2nn[nH]n2)cn1 ZINC000826457291 607956895 /nfs/dbraw/zinc/95/68/95/607956895.db2.gz VDYGVRQCZYTHMX-UHFFFAOYSA-N 1 2 384.403 2.429 20 0 GEADLO COC1CCC(CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826144718 607964929 /nfs/dbraw/zinc/96/49/29/607964929.db2.gz QBEHNLQANAROEY-UHFFFAOYSA-N 1 2 398.511 2.106 20 0 GEADLO CC[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2Br)CC[N@@H+]1CCOC ZINC000825212943 607990380 /nfs/dbraw/zinc/99/03/80/607990380.db2.gz VAIAMSUEZBWBQB-ZDUSSCGKSA-N 1 2 395.305 2.176 20 0 GEADLO CC[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2Br)CC[N@H+]1CCOC ZINC000825212943 607990381 /nfs/dbraw/zinc/99/03/81/607990381.db2.gz VAIAMSUEZBWBQB-ZDUSSCGKSA-N 1 2 395.305 2.176 20 0 GEADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000736290119 608065134 /nfs/dbraw/zinc/06/51/34/608065134.db2.gz HGAQVMIWOCVMGY-AWEZNQCLSA-N 1 2 388.472 2.187 20 0 GEADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000736290119 608065135 /nfs/dbraw/zinc/06/51/35/608065135.db2.gz HGAQVMIWOCVMGY-AWEZNQCLSA-N 1 2 388.472 2.187 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000826183484 608065705 /nfs/dbraw/zinc/06/57/05/608065705.db2.gz QLASWROPXSSAMF-ZDUSSCGKSA-N 1 2 388.472 2.317 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000826183484 608065706 /nfs/dbraw/zinc/06/57/06/608065706.db2.gz QLASWROPXSSAMF-ZDUSSCGKSA-N 1 2 388.472 2.317 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028440 608121186 /nfs/dbraw/zinc/12/11/86/608121186.db2.gz AHEDWWCNLVZLBZ-HKUYNNGSSA-N 1 2 398.417 2.249 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028440 608121187 /nfs/dbraw/zinc/12/11/87/608121187.db2.gz AHEDWWCNLVZLBZ-HKUYNNGSSA-N 1 2 398.417 2.249 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028537 608121257 /nfs/dbraw/zinc/12/12/57/608121257.db2.gz BVHQGSLSFRCOGU-IRXDYDNUSA-N 1 2 384.390 2.320 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028537 608121258 /nfs/dbraw/zinc/12/12/58/608121258.db2.gz BVHQGSLSFRCOGU-IRXDYDNUSA-N 1 2 384.390 2.320 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028511 608121319 /nfs/dbraw/zinc/12/13/19/608121319.db2.gz BLQCXSKDLOBNOP-IEBWSBKVSA-N 1 2 398.417 2.249 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028511 608121320 /nfs/dbraw/zinc/12/13/20/608121320.db2.gz BLQCXSKDLOBNOP-IEBWSBKVSA-N 1 2 398.417 2.249 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)c2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000826029535 608121365 /nfs/dbraw/zinc/12/13/65/608121365.db2.gz SROQJOFTKDCEOK-DLBZAZTESA-N 1 2 384.390 2.320 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000826029535 608121366 /nfs/dbraw/zinc/12/13/66/608121366.db2.gz SROQJOFTKDCEOK-DLBZAZTESA-N 1 2 384.390 2.320 20 0 GEADLO Cc1cnc(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)nc1C ZINC000826318814 608122538 /nfs/dbraw/zinc/12/25/38/608122538.db2.gz ALVWUJZUFUUEKA-UHFFFAOYSA-N 1 2 387.451 2.148 20 0 GEADLO c1cc(OCC[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517554 608256141 /nfs/dbraw/zinc/25/61/41/608256141.db2.gz HUJBEPDWQAMRFE-HNNXBMFYSA-N 1 2 380.456 2.121 20 0 GEADLO c1cc(OCC[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517554 608256142 /nfs/dbraw/zinc/25/61/42/608256142.db2.gz HUJBEPDWQAMRFE-HNNXBMFYSA-N 1 2 380.456 2.121 20 0 GEADLO c1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000826514390 608258661 /nfs/dbraw/zinc/25/86/61/608258661.db2.gz QCYKNBMYJYMJNM-HNNXBMFYSA-N 1 2 380.456 2.121 20 0 GEADLO c1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000826514390 608258662 /nfs/dbraw/zinc/25/86/62/608258662.db2.gz QCYKNBMYJYMJNM-HNNXBMFYSA-N 1 2 380.456 2.121 20 0 GEADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000826322129 608258897 /nfs/dbraw/zinc/25/88/97/608258897.db2.gz ZUAANOUEXOYADU-QGZVFWFLSA-N 1 2 383.456 2.049 20 0 GEADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000826322129 608258899 /nfs/dbraw/zinc/25/88/99/608258899.db2.gz ZUAANOUEXOYADU-QGZVFWFLSA-N 1 2 383.456 2.049 20 0 GEADLO COc1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1-c1nn[nH]n1 ZINC000826204194 608298179 /nfs/dbraw/zinc/29/81/79/608298179.db2.gz BBMATBSMZANWOF-UHFFFAOYSA-N 1 2 379.428 2.382 20 0 GEADLO COc1ccccc1C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000826219630 608359191 /nfs/dbraw/zinc/35/91/91/608359191.db2.gz KPXGAYVZEKDRJD-UHFFFAOYSA-N 1 2 394.479 2.202 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000826169454 608375887 /nfs/dbraw/zinc/37/58/87/608375887.db2.gz SOBCBMIPZZANQK-ZDUSSCGKSA-N 1 2 388.472 2.317 20 0 GEADLO Cc1cc(NC(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)c[nH+]1 ZINC000826270276 608477414 /nfs/dbraw/zinc/47/74/14/608477414.db2.gz SSFJULJSCKTFRL-UHFFFAOYSA-N 1 2 393.451 2.376 20 0 GEADLO CN(C)c1ncc(C[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000825883458 608508483 /nfs/dbraw/zinc/50/84/83/608508483.db2.gz HGNCIAYVITWLRT-UHFFFAOYSA-N 1 2 398.540 2.097 20 0 GEADLO CN(C)c1ncc(C[N@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000825883458 608508485 /nfs/dbraw/zinc/50/84/85/608508485.db2.gz HGNCIAYVITWLRT-UHFFFAOYSA-N 1 2 398.540 2.097 20 0 GEADLO Cc1cccc(C)c1-n1nnnc1C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826297081 608534386 /nfs/dbraw/zinc/53/43/86/608534386.db2.gz UPOWVZPPUQYHNC-UHFFFAOYSA-N 1 2 387.451 2.238 20 0 GEADLO Cc1cccc([C@@H](CNc2nc(-c3nn[nH]n3)ccc2C)[NH+]2CCOCC2)c1 ZINC000826296207 608543604 /nfs/dbraw/zinc/54/36/04/608543604.db2.gz MXBIBRMQXSPYBX-GOSISDBHSA-N 1 2 379.468 2.364 20 0 GEADLO COCC[N@H+](Cc1c(C)nc2sc(C)nn12)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158766 608566862 /nfs/dbraw/zinc/56/68/62/608566862.db2.gz BMJFWBSHHDJJBR-UHFFFAOYSA-N 1 2 398.496 2.236 20 0 GEADLO COCC[N@@H+](Cc1c(C)nc2sc(C)nn12)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158766 608566864 /nfs/dbraw/zinc/56/68/64/608566864.db2.gz BMJFWBSHHDJJBR-UHFFFAOYSA-N 1 2 398.496 2.236 20 0 GEADLO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1C(=O)OC ZINC000826159157 608567521 /nfs/dbraw/zinc/56/75/21/608567521.db2.gz TZRCNTANGBIYEL-UHFFFAOYSA-N 1 2 381.436 2.302 20 0 GEADLO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1C(=O)OC ZINC000826159157 608567523 /nfs/dbraw/zinc/56/75/23/608567523.db2.gz TZRCNTANGBIYEL-UHFFFAOYSA-N 1 2 381.436 2.302 20 0 GEADLO CC1(C)CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824802734 608585999 /nfs/dbraw/zinc/58/59/99/608585999.db2.gz PHKPJMQOSMCCCD-KRWDZBQOSA-N 1 2 383.500 2.273 20 0 GEADLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c(C(C)(C)C)n1 ZINC000826361173 608590027 /nfs/dbraw/zinc/59/00/27/608590027.db2.gz OBNCNSLPVIJOAW-QGZVFWFLSA-N 1 2 381.484 2.471 20 0 GEADLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c(C(C)(C)C)n1 ZINC000826361173 608590029 /nfs/dbraw/zinc/59/00/29/608590029.db2.gz OBNCNSLPVIJOAW-QGZVFWFLSA-N 1 2 381.484 2.471 20 0 GEADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)o1 ZINC000824900303 608838401 /nfs/dbraw/zinc/83/84/01/608838401.db2.gz UPNDFENNUXRWAG-UMVBOHGHSA-N 1 2 380.456 2.084 20 0 GEADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)o1 ZINC000824900303 608838403 /nfs/dbraw/zinc/83/84/03/608838403.db2.gz UPNDFENNUXRWAG-UMVBOHGHSA-N 1 2 380.456 2.084 20 0 GEADLO COc1cccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1OC ZINC000826216264 608852829 /nfs/dbraw/zinc/85/28/29/608852829.db2.gz QOGADUWPBKWVLV-SFHVURJKSA-N 1 2 381.436 2.457 20 0 GEADLO COc1cccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1OC ZINC000826216264 608852830 /nfs/dbraw/zinc/85/28/30/608852830.db2.gz QOGADUWPBKWVLV-SFHVURJKSA-N 1 2 381.436 2.457 20 0 GEADLO Cc1cccn2c(CN3CCO[C@@H](c4cccc(-c5nn[nH]n5)c4)C3)c[nH+]c12 ZINC000826307952 608854490 /nfs/dbraw/zinc/85/44/90/608854490.db2.gz CMWYYQLVELCKNH-GOSISDBHSA-N 1 2 375.436 2.396 20 0 GEADLO c1[nH]nc(-c2cccnc2)c1C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826525343 608855982 /nfs/dbraw/zinc/85/59/82/608855982.db2.gz GEMJPJIICIATEU-SFHVURJKSA-N 1 2 388.435 2.225 20 0 GEADLO c1[nH]nc(-c2cccnc2)c1C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826525343 608855984 /nfs/dbraw/zinc/85/59/84/608855984.db2.gz GEMJPJIICIATEU-SFHVURJKSA-N 1 2 388.435 2.225 20 0 GEADLO CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000824236879 609254183 /nfs/dbraw/zinc/25/41/83/609254183.db2.gz PONHNNSDXATRLA-FZMZJTMJSA-N 1 2 394.443 2.473 20 0 GEADLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cn1 ZINC000826330985 609290437 /nfs/dbraw/zinc/29/04/37/609290437.db2.gz OVSVLWUCQPCWQQ-UHFFFAOYSA-N 1 2 394.826 2.339 20 0 GEADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000826134400 609297406 /nfs/dbraw/zinc/29/74/06/609297406.db2.gz XBUZPEJQQXZFCI-MRXNPFEDSA-N 1 2 395.467 2.278 20 0 GEADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000826134400 609297408 /nfs/dbraw/zinc/29/74/08/609297408.db2.gz XBUZPEJQQXZFCI-MRXNPFEDSA-N 1 2 395.467 2.278 20 0 GEADLO CN(C)c1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)c[nH+]1 ZINC000825879714 609302618 /nfs/dbraw/zinc/30/26/18/609302618.db2.gz PHOZZMICEUKNLZ-UHFFFAOYSA-N 1 2 375.440 2.340 20 0 GEADLO Cc1[nH+]c2n(c1C)CCN(Cc1ccc(-c3nn[nH]n3)cc1Br)C2 ZINC000826328847 609360269 /nfs/dbraw/zinc/36/02/69/609360269.db2.gz HBFVTABNHAVOJQ-UHFFFAOYSA-N 1 2 388.273 2.458 20 0 GEADLO CN1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)c2ccc[nH+]c21 ZINC000826038619 609366686 /nfs/dbraw/zinc/36/66/86/609366686.db2.gz ROLIKWVVCRQKMI-UHFFFAOYSA-N 1 2 386.257 2.481 20 0 GEADLO Cc1nc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cs1 ZINC000826323822 609415009 /nfs/dbraw/zinc/41/50/09/609415009.db2.gz TWQAJKMKBPPTQP-IAQYHMDHSA-N 1 2 383.481 2.478 20 0 GEADLO COc1ccc([C@H](CNc2nccc(C)c2-c2nn[nH]n2)[NH+]2CCOCC2)cc1 ZINC000826188895 609519568 /nfs/dbraw/zinc/51/95/68/609519568.db2.gz JMKVSZZXZKUZPY-KRWDZBQOSA-N 1 2 395.467 2.064 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000447254831 650004114 /nfs/dbraw/zinc/00/41/14/650004114.db2.gz CUYZJULGBRXLBX-VIFPVBQESA-N 1 2 385.649 2.442 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1OC ZINC000447870935 650010067 /nfs/dbraw/zinc/01/00/67/650010067.db2.gz GLKXTUQMLDGGRE-ZDUSSCGKSA-N 1 2 376.906 2.318 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1OC ZINC000447870935 650010068 /nfs/dbraw/zinc/01/00/68/650010068.db2.gz GLKXTUQMLDGGRE-ZDUSSCGKSA-N 1 2 376.906 2.318 20 0 GEADLO CC(C)(C)c1cnc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)s1 ZINC000447946216 650011884 /nfs/dbraw/zinc/01/18/84/650011884.db2.gz ZOMGREQOXUUYDQ-CYBMUJFWSA-N 1 2 375.560 2.019 20 0 GEADLO O=C1C[C@@H]([N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)C(=O)N1CC(F)(F)F ZINC000448557822 650016735 /nfs/dbraw/zinc/01/67/35/650016735.db2.gz WJOHODWTKDERDF-QWHCGFSZSA-N 1 2 376.762 2.483 20 0 GEADLO O=C1C[C@@H]([N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)C(=O)N1CC(F)(F)F ZINC000448557822 650016737 /nfs/dbraw/zinc/01/67/37/650016737.db2.gz WJOHODWTKDERDF-QWHCGFSZSA-N 1 2 376.762 2.483 20 0 GEADLO COc1cc(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1Cl ZINC000448775634 650021319 /nfs/dbraw/zinc/02/13/19/650021319.db2.gz SKLBNYDEQHHRRB-GOSISDBHSA-N 1 2 384.929 2.215 20 0 GEADLO CCCC[N@H+](C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000449001734 650029361 /nfs/dbraw/zinc/02/93/61/650029361.db2.gz FSLKUCZFWJRBHM-NVXWUHKLSA-N 1 2 387.567 2.483 20 0 GEADLO CCCC[N@@H+](C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000449001734 650029362 /nfs/dbraw/zinc/02/93/62/650029362.db2.gz FSLKUCZFWJRBHM-NVXWUHKLSA-N 1 2 387.567 2.483 20 0 GEADLO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449239317 650035173 /nfs/dbraw/zinc/03/51/73/650035173.db2.gz VHIUKBMYNWUIKF-LBPRGKRZSA-N 1 2 384.299 2.250 20 0 GEADLO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449239317 650035176 /nfs/dbraw/zinc/03/51/76/650035176.db2.gz VHIUKBMYNWUIKF-LBPRGKRZSA-N 1 2 384.299 2.250 20 0 GEADLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000449409131 650040312 /nfs/dbraw/zinc/04/03/12/650040312.db2.gz NJYARKMSLXDRQT-RUZDIDTESA-N 1 2 381.523 2.414 20 0 GEADLO CC(C)c1cnc(C[N@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000449425938 650040500 /nfs/dbraw/zinc/04/05/00/650040500.db2.gz NRFAHGTWACNRMT-UHFFFAOYSA-N 1 2 382.555 2.482 20 0 GEADLO CC(C)c1cnc(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000449425938 650040507 /nfs/dbraw/zinc/04/05/07/650040507.db2.gz NRFAHGTWACNRMT-UHFFFAOYSA-N 1 2 382.555 2.482 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000449453828 650041267 /nfs/dbraw/zinc/04/12/67/650041267.db2.gz IUJLAQOOTTYGPO-ARJAWSKDSA-N 1 2 399.314 2.103 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000449847843 650053668 /nfs/dbraw/zinc/05/36/68/650053668.db2.gz HKWOJCWYRJRDIX-RRQGHBQHSA-N 1 2 380.330 2.305 20 0 GEADLO O=C(CCc1cccc(F)c1Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000449957732 650056896 /nfs/dbraw/zinc/05/68/96/650056896.db2.gz DJHUFBLPGWEIQR-AWEZNQCLSA-N 1 2 385.277 2.454 20 0 GEADLO O=C(c1ccsc1Br)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000450117545 650060610 /nfs/dbraw/zinc/06/06/10/650060610.db2.gz KCFLFYRDOIFIFH-LBPRGKRZSA-N 1 2 389.315 2.074 20 0 GEADLO CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000450223368 650062335 /nfs/dbraw/zinc/06/23/35/650062335.db2.gz LNAVLBWIBNKCLU-LBPRGKRZSA-N 1 2 381.325 2.461 20 0 GEADLO CC[C@H](C)[NH+]1CCN(c2c(F)cc(S(N)(=O)=O)cc2Br)CC1 ZINC000450853475 650073157 /nfs/dbraw/zinc/07/31/57/650073157.db2.gz BTAKIZVSXBNLHW-JTQLQIEISA-N 1 2 394.310 2.156 20 0 GEADLO CC(C)NS(=O)(=O)N1CC[NH+]([C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000450921576 650075474 /nfs/dbraw/zinc/07/54/74/650075474.db2.gz IVOJYXQEMNOGFF-ZDUSSCGKSA-N 1 2 377.457 2.209 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000451065242 650083020 /nfs/dbraw/zinc/08/30/20/650083020.db2.gz QPRYHDKUINGUEJ-UHFFFAOYSA-N 1 2 376.507 2.358 20 0 GEADLO CO[C@H](CS(=O)(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000451104467 650087092 /nfs/dbraw/zinc/08/70/92/650087092.db2.gz KMATWXLFOQHPGF-QGZVFWFLSA-N 1 2 380.535 2.413 20 0 GEADLO CO[C@H](CS(=O)(=O)NCC[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000451104467 650087096 /nfs/dbraw/zinc/08/70/96/650087096.db2.gz KMATWXLFOQHPGF-QGZVFWFLSA-N 1 2 380.535 2.413 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000451332704 650104631 /nfs/dbraw/zinc/10/46/31/650104631.db2.gz WODOWFVGXWMTGN-PMPSAXMXSA-N 1 2 380.501 2.184 20 0 GEADLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000451880289 650149491 /nfs/dbraw/zinc/14/94/91/650149491.db2.gz VJKLRWGXRHXZRP-CYBMUJFWSA-N 1 2 375.460 2.449 20 0 GEADLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000451880289 650149494 /nfs/dbraw/zinc/14/94/94/650149494.db2.gz VJKLRWGXRHXZRP-CYBMUJFWSA-N 1 2 375.460 2.449 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@H](C)[N@H+]1CCO ZINC000451885496 650150244 /nfs/dbraw/zinc/15/02/44/650150244.db2.gz BLMIMUGTRIYZPX-PHIMTYICSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@H](C)[N@@H+]1CCO ZINC000451885496 650150246 /nfs/dbraw/zinc/15/02/46/650150246.db2.gz BLMIMUGTRIYZPX-PHIMTYICSA-N 1 2 398.859 2.017 20 0 GEADLO COC[C@@]1(CO)CC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000451926587 650154331 /nfs/dbraw/zinc/15/43/31/650154331.db2.gz MDWVKNFSBJGPSH-AWEZNQCLSA-N 1 2 388.287 2.391 20 0 GEADLO COC[C@@]1(CO)CC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000451926587 650154335 /nfs/dbraw/zinc/15/43/35/650154335.db2.gz MDWVKNFSBJGPSH-AWEZNQCLSA-N 1 2 388.287 2.391 20 0 GEADLO COC[C@](C)(O)CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000452340426 650180003 /nfs/dbraw/zinc/18/00/03/650180003.db2.gz IJKCRVCZVIOQIC-FUHWJXTLSA-N 1 2 399.329 2.490 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000453621696 650210784 /nfs/dbraw/zinc/21/07/84/650210784.db2.gz MHFCNFSYRMEVNB-UHFFFAOYSA-N 1 2 392.257 2.104 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000453715212 650219330 /nfs/dbraw/zinc/21/93/30/650219330.db2.gz HUKMWHJIEHWNPI-UHFFFAOYSA-N 1 2 392.257 2.151 20 0 GEADLO Cc1cc(C)c(CNC(=O)C(=O)Nc2cc(C)c(Br)cn2)c[nH+]1 ZINC000454026883 650246875 /nfs/dbraw/zinc/24/68/75/650246875.db2.gz JHFCTIOMVSONIW-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO Cn1cc(Br)c(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000455374069 650300993 /nfs/dbraw/zinc/30/09/93/650300993.db2.gz LJJKDOGKCCUXTL-NSHDSACASA-N 1 2 381.278 2.005 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000455530328 650307559 /nfs/dbraw/zinc/30/75/59/650307559.db2.gz YEJDUZZQSLRNOO-XOKHGSTOSA-N 1 2 380.330 2.305 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(I)cn1 ZINC000456048874 650328397 /nfs/dbraw/zinc/32/83/97/650328397.db2.gz VUCKSHQPQTVWJL-UHFFFAOYSA-N 1 2 396.232 2.491 20 0 GEADLO O=C(COCc1cccc(Cl)c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000457475640 650379622 /nfs/dbraw/zinc/37/96/22/650379622.db2.gz ULRMCBQAOFMKRB-GOSISDBHSA-N 1 2 384.929 2.181 20 0 GEADLO Cc1cc(Br)c(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)s1 ZINC000457628403 650381803 /nfs/dbraw/zinc/38/18/03/650381803.db2.gz BDOHBWFYISRLJA-UHFFFAOYSA-N 1 2 388.331 2.055 20 0 GEADLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Br)co2)nc[nH+]1 ZINC000457636775 650382031 /nfs/dbraw/zinc/38/20/31/650382031.db2.gz ZTKIDEKWRZIOTF-LLVKDONJSA-N 1 2 380.246 2.273 20 0 GEADLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Br)co2)[nH+]cn1 ZINC000457636775 650382033 /nfs/dbraw/zinc/38/20/33/650382033.db2.gz ZTKIDEKWRZIOTF-LLVKDONJSA-N 1 2 380.246 2.273 20 0 GEADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cncc(Br)c2)CC1 ZINC000500978922 650385507 /nfs/dbraw/zinc/38/55/07/650385507.db2.gz VUIAAXHHWHQWMK-HNNXBMFYSA-N 1 2 395.345 2.363 20 0 GEADLO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)NCc1c[nH+]cn1C ZINC000458794091 650410633 /nfs/dbraw/zinc/41/06/33/650410633.db2.gz BHTGEFWLKILRME-CYBMUJFWSA-N 1 2 395.301 2.141 20 0 GEADLO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nnc(S(C)(=O)=O)s1 ZINC000503200978 650415650 /nfs/dbraw/zinc/41/56/50/650415650.db2.gz XKBUEKIJAMYDGS-ZANVPECISA-N 1 2 375.903 2.461 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)CCO1 ZINC000503495153 650418556 /nfs/dbraw/zinc/41/85/56/650418556.db2.gz SOVLPJLBLASQJE-UHFFFAOYSA-N 1 2 391.256 2.497 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)CCO1 ZINC000503495153 650418560 /nfs/dbraw/zinc/41/85/60/650418560.db2.gz SOVLPJLBLASQJE-UHFFFAOYSA-N 1 2 391.256 2.497 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)NC(C)(C)COc2ncccc2Br)c1 ZINC000459150626 650419547 /nfs/dbraw/zinc/41/95/47/650419547.db2.gz OEGCAQMHYNWZHU-UHFFFAOYSA-N 1 2 396.289 2.277 20 0 GEADLO COCCN(CC[NH+](C)C)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459218630 650421553 /nfs/dbraw/zinc/42/15/53/650421553.db2.gz QWBHLDKAYIBQOO-UHFFFAOYSA-N 1 2 398.305 2.045 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cn3cccnc3n2)s1 ZINC000459388195 650423863 /nfs/dbraw/zinc/42/38/63/650423863.db2.gz OJJGPBQPEJGGET-UHFFFAOYSA-N 1 2 379.511 2.111 20 0 GEADLO COC(=O)c1cc(NC(=O)NCCc2cn(C)c[nH+]2)cc(Br)c1F ZINC000459548731 650428456 /nfs/dbraw/zinc/42/84/56/650428456.db2.gz XYLVVDAJGXXEHR-UHFFFAOYSA-N 1 2 399.220 2.473 20 0 GEADLO O=C(c1cc[nH]c(=O)c1Br)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000505567178 650438875 /nfs/dbraw/zinc/43/88/75/650438875.db2.gz WGHKXSWUFFUSAS-CYBMUJFWSA-N 1 2 380.217 2.476 20 0 GEADLO CCCCC[N@H+](CC(N)=O)CC(=O)N(C)Cc1ccccc1Br ZINC000506021800 650442743 /nfs/dbraw/zinc/44/27/43/650442743.db2.gz IPHITQUUZAFGEB-UHFFFAOYSA-N 1 2 384.318 2.385 20 0 GEADLO CCCCC[N@@H+](CC(N)=O)CC(=O)N(C)Cc1ccccc1Br ZINC000506021800 650442745 /nfs/dbraw/zinc/44/27/45/650442745.db2.gz IPHITQUUZAFGEB-UHFFFAOYSA-N 1 2 384.318 2.385 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000461898064 650462046 /nfs/dbraw/zinc/46/20/46/650462046.db2.gz FGXFBTACXGDFBI-UHFFFAOYSA-N 1 2 378.226 2.473 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c(Cl)c1 ZINC000507517062 650462119 /nfs/dbraw/zinc/46/21/19/650462119.db2.gz LFLSBOZILUPRKK-CYBMUJFWSA-N 1 2 386.857 2.301 20 0 GEADLO CC(=O)NCCc1ccc(-c2csc(NC(=O)[C@H]3CSC[NH2+]3)n2)cc1 ZINC000462064523 650465781 /nfs/dbraw/zinc/46/57/81/650465781.db2.gz ARYMITDMHVFZFZ-OAHLLOKOSA-N 1 2 376.507 2.090 20 0 GEADLO Cn1cc(C[NH+]2CCN(CCOc3ccccc3Br)CC2)cn1 ZINC000508857596 650484133 /nfs/dbraw/zinc/48/41/33/650484133.db2.gz QUJUTWPPWVLAFA-UHFFFAOYSA-N 1 2 379.302 2.379 20 0 GEADLO O=C(NCc1cc(Br)cc2c1OCC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000462841830 650491068 /nfs/dbraw/zinc/49/10/68/650491068.db2.gz PKFCYVXLKBRFIC-LBPRGKRZSA-N 1 2 376.254 2.459 20 0 GEADLO Cc1cc(Cl)ccc1OCCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463348335 650493976 /nfs/dbraw/zinc/49/39/76/650493976.db2.gz HKHVLOCPYYQWEP-UHFFFAOYSA-N 1 2 390.933 2.059 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCOc1cccc(Br)c1 ZINC000468767862 650506769 /nfs/dbraw/zinc/50/67/69/650506769.db2.gz AWGQUHHTYMDTPZ-CQSZACIVSA-N 1 2 385.302 2.397 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000510186418 650508087 /nfs/dbraw/zinc/50/80/87/650508087.db2.gz RYIYROPRTKURPM-UHFFFAOYSA-N 1 2 379.295 2.349 20 0 GEADLO Cc1nnc(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1C ZINC000510890297 650520602 /nfs/dbraw/zinc/52/06/02/650520602.db2.gz PNUCEOGWVWWGGT-UHFFFAOYSA-N 1 2 379.262 2.378 20 0 GEADLO O=C(CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1)N1CCCC1 ZINC000510874733 650520727 /nfs/dbraw/zinc/52/07/27/650520727.db2.gz PHMAQDGBUQAQMK-UHFFFAOYSA-N 1 2 381.274 2.363 20 0 GEADLO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000473249142 650525659 /nfs/dbraw/zinc/52/56/59/650525659.db2.gz KSDQFPQPHINEKE-UHFFFAOYSA-N 1 2 395.232 2.458 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)[C@H](C)C1 ZINC000511220343 650529731 /nfs/dbraw/zinc/52/97/31/650529731.db2.gz HZCDZFOPALYPCI-SNVBAGLBSA-N 1 2 395.308 2.495 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)[C@H](C)C1 ZINC000511220343 650529732 /nfs/dbraw/zinc/52/97/32/650529732.db2.gz HZCDZFOPALYPCI-SNVBAGLBSA-N 1 2 395.308 2.495 20 0 GEADLO CC[C@@H]1CN(CC(C)C[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@]1=O ZINC000512414154 650547738 /nfs/dbraw/zinc/54/77/38/650547738.db2.gz CCNXYEMHBXTZTH-NZEWSBGGSA-N 1 2 376.632 2.085 20 0 GEADLO CC[C@@H]1CN(CC(C)C[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@]1=O ZINC000512414154 650547740 /nfs/dbraw/zinc/54/77/40/650547740.db2.gz CCNXYEMHBXTZTH-NZEWSBGGSA-N 1 2 376.632 2.085 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000512428080 650548528 /nfs/dbraw/zinc/54/85/28/650548528.db2.gz PAIJLRPWJROWLG-JQFCIGGWSA-N 1 2 397.313 2.458 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCc2cc(Br)ccc2F)CCO1 ZINC000514063899 650573364 /nfs/dbraw/zinc/57/33/64/650573364.db2.gz KOMMJHDKBIUFHD-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCc2cc(Br)ccc2F)CCO1 ZINC000514063899 650573370 /nfs/dbraw/zinc/57/33/70/650573370.db2.gz KOMMJHDKBIUFHD-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO COc1c(N)[nH+]cnc1N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000514615350 650575097 /nfs/dbraw/zinc/57/50/97/650575097.db2.gz UJZGXNPEMYSPNF-UHFFFAOYSA-N 1 2 375.479 2.306 20 0 GEADLO COc1c(N)nc[nH+]c1N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000514615350 650575098 /nfs/dbraw/zinc/57/50/98/650575098.db2.gz UJZGXNPEMYSPNF-UHFFFAOYSA-N 1 2 375.479 2.306 20 0 GEADLO Cc1ncc(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c(=O)[nH]1 ZINC000479456054 650603939 /nfs/dbraw/zinc/60/39/39/650603939.db2.gz PEZYMZNNHOAJOW-SSDOTTSWSA-N 1 2 391.280 2.296 20 0 GEADLO Cc1c(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)cnn1C ZINC000480145038 650616185 /nfs/dbraw/zinc/61/61/85/650616185.db2.gz GXBLQRYWLMVXFL-CQSZACIVSA-N 1 2 384.299 2.499 20 0 GEADLO COc1cccc(Cl)c1C[NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000480305631 650619331 /nfs/dbraw/zinc/61/93/31/650619331.db2.gz OXNFKWIKSLBYTM-QGZVFWFLSA-N 1 2 383.901 2.369 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1Cl ZINC000523457260 650634948 /nfs/dbraw/zinc/63/49/48/650634948.db2.gz PUZBATVKAKTKAR-UHFFFAOYSA-N 1 2 382.873 2.454 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CSC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524399369 650640865 /nfs/dbraw/zinc/64/08/65/650640865.db2.gz UGVLJFUKLZCHBH-OAHLLOKOSA-N 1 2 376.869 2.135 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1Br ZINC000481460809 650646683 /nfs/dbraw/zinc/64/66/83/650646683.db2.gz CGJGZMGUXZJBTC-LLVKDONJSA-N 1 2 388.287 2.269 20 0 GEADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000483291057 650676228 /nfs/dbraw/zinc/67/62/28/650676228.db2.gz JEZUELJZZOQDQB-ZANVPECISA-N 1 2 393.228 2.138 20 0 GEADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000483291057 650676230 /nfs/dbraw/zinc/67/62/30/650676230.db2.gz JEZUELJZZOQDQB-ZANVPECISA-N 1 2 393.228 2.138 20 0 GEADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(CCO)Cc1ccc(Br)s1 ZINC000483015255 650673394 /nfs/dbraw/zinc/67/33/94/650673394.db2.gz JMQVTAQOLYDEFF-NSHDSACASA-N 1 2 384.299 2.291 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+]Cc3ncc(Cl)cc3Br)C2=O)n(C)n1 ZINC000527664944 650681519 /nfs/dbraw/zinc/68/15/19/650681519.db2.gz DFPGFTWCNCXQQP-GFCCVEGCSA-N 1 2 398.692 2.435 20 0 GEADLO O=C(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528353014 650690176 /nfs/dbraw/zinc/69/01/76/650690176.db2.gz MJMVHAKZFOBWLI-ZDUSSCGKSA-N 1 2 387.307 2.417 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000528417915 650692938 /nfs/dbraw/zinc/69/29/38/650692938.db2.gz VBVVHDCJENGONQ-NRFANRHFSA-N 1 2 381.286 2.223 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000529751972 650706274 /nfs/dbraw/zinc/70/62/74/650706274.db2.gz KJPVLSFOKFBJTM-SNUQEOBHSA-N 1 2 384.929 2.237 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000529751972 650706276 /nfs/dbraw/zinc/70/62/76/650706276.db2.gz KJPVLSFOKFBJTM-SNUQEOBHSA-N 1 2 384.929 2.237 20 0 GEADLO Cc1cc(Br)cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC000529754373 650706796 /nfs/dbraw/zinc/70/67/96/650706796.db2.gz VMCBVIGUUDNDRZ-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1cc(Br)cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC000529754373 650706798 /nfs/dbraw/zinc/70/67/98/650706798.db2.gz VMCBVIGUUDNDRZ-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CCO)Cc1cccc(Br)c1 ZINC000486061377 650706913 /nfs/dbraw/zinc/70/69/13/650706913.db2.gz SEQRYUOJKLUKTP-ZDUSSCGKSA-N 1 2 381.274 2.238 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000530034004 650711211 /nfs/dbraw/zinc/71/12/11/650711211.db2.gz SUJBGMWOPYEOJK-ZIAGYGMSSA-N 1 2 379.309 2.290 20 0 GEADLO COCCSCCC[NH+]1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000486797268 650722380 /nfs/dbraw/zinc/72/23/80/650722380.db2.gz IUBGKIGBLOBVGG-UHFFFAOYSA-N 1 2 394.509 2.041 20 0 GEADLO COC(=O)C[C@@](C)(NC(=O)Cc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000530406030 650724912 /nfs/dbraw/zinc/72/49/12/650724912.db2.gz YTQLFRSTOGXSHD-QGZVFWFLSA-N 1 2 394.269 2.320 20 0 GEADLO CS(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)ccc1Cl ZINC000487321303 650732800 /nfs/dbraw/zinc/73/28/00/650732800.db2.gz KQYDUWVXGNNXCS-HNNXBMFYSA-N 1 2 386.901 2.325 20 0 GEADLO CS(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)ccc1Cl ZINC000487321303 650732803 /nfs/dbraw/zinc/73/28/03/650732803.db2.gz KQYDUWVXGNNXCS-HNNXBMFYSA-N 1 2 386.901 2.325 20 0 GEADLO CC[NH+](CC)[C@@H](CNS(=O)(=O)C[C@H](C)C(=O)OC)c1ccccc1Cl ZINC000487468402 650734271 /nfs/dbraw/zinc/73/42/71/650734271.db2.gz XBJPIXIWWBOTAJ-BBRMVZONSA-N 1 2 390.933 2.451 20 0 GEADLO CN(C[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531079803 650734499 /nfs/dbraw/zinc/73/44/99/650734499.db2.gz MUMQTHRHPIUZLJ-CZUORRHYSA-N 1 2 387.933 2.019 20 0 GEADLO O=C(CCn1cc(Br)ccc1=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000531197133 650736188 /nfs/dbraw/zinc/73/61/88/650736188.db2.gz MJLGNASYLIHYQL-UHFFFAOYSA-N 1 2 379.258 2.130 20 0 GEADLO O=C(CCn1cc(Br)ccc1=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000531197133 650736190 /nfs/dbraw/zinc/73/61/90/650736190.db2.gz MJLGNASYLIHYQL-UHFFFAOYSA-N 1 2 379.258 2.130 20 0 GEADLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000531749748 650743678 /nfs/dbraw/zinc/74/36/78/650743678.db2.gz AVSOOFCDDJNZPV-UHFFFAOYSA-N 1 2 382.873 2.132 20 0 GEADLO Cc1cc(Br)cnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000531569919 650740922 /nfs/dbraw/zinc/74/09/22/650740922.db2.gz ICBMLGOGAYFFCG-CQSZACIVSA-N 1 2 381.318 2.285 20 0 GEADLO CC(C)[N@H+](CC(N)=O)CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000011472580 642369308 /nfs/dbraw/zinc/36/93/08/642369308.db2.gz FKGNUXIYHBRUND-GOSISDBHSA-N 1 2 377.535 2.479 20 0 GEADLO CC(C)[N@@H+](CC(N)=O)CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000011472580 642369311 /nfs/dbraw/zinc/36/93/11/642369311.db2.gz FKGNUXIYHBRUND-GOSISDBHSA-N 1 2 377.535 2.479 20 0 GEADLO CC(=O)[C@@H](NC(=O)C[N@H+](C)CCOc1ccc(Br)cc1)C(C)C ZINC000532465583 650748144 /nfs/dbraw/zinc/74/81/44/650748144.db2.gz PBQLAIAYQASREM-KRWDZBQOSA-N 1 2 385.302 2.490 20 0 GEADLO CC(=O)[C@@H](NC(=O)C[N@@H+](C)CCOc1ccc(Br)cc1)C(C)C ZINC000532465583 650748148 /nfs/dbraw/zinc/74/81/48/650748148.db2.gz PBQLAIAYQASREM-KRWDZBQOSA-N 1 2 385.302 2.490 20 0 GEADLO Cc1cc(N)nc(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)[nH+]1 ZINC000022090128 642403269 /nfs/dbraw/zinc/40/32/69/642403269.db2.gz YQVWCXFZHWRJRY-UHFFFAOYSA-N 1 2 386.886 2.155 20 0 GEADLO CCOC(=O)C1=C(C[N@H+](C)Cc2ccc(Br)cc2)NC(=O)N[C@@H]1C ZINC000023819500 642413953 /nfs/dbraw/zinc/41/39/53/642413953.db2.gz YVBUSSYDMFTHID-LLVKDONJSA-N 1 2 396.285 2.399 20 0 GEADLO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccc(Br)cc2)NC(=O)N[C@@H]1C ZINC000023819500 642413958 /nfs/dbraw/zinc/41/39/58/642413958.db2.gz YVBUSSYDMFTHID-LLVKDONJSA-N 1 2 396.285 2.399 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000489111561 650754391 /nfs/dbraw/zinc/75/43/91/650754391.db2.gz MMQXSFAWDUSHGN-UHFFFAOYSA-N 1 2 386.901 2.233 20 0 GEADLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000041066242 642524708 /nfs/dbraw/zinc/52/47/08/642524708.db2.gz DGFRWTVWCPVRRZ-UHFFFAOYSA-N 1 2 396.738 2.460 20 0 GEADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCOCC1 ZINC000041280820 642527943 /nfs/dbraw/zinc/52/79/43/642527943.db2.gz FWYOZTDPLBNBOE-OAHLLOKOSA-N 1 2 388.295 2.405 20 0 GEADLO Cc1[nH]c(=S)sc1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000041796255 642533235 /nfs/dbraw/zinc/53/32/35/642533235.db2.gz DNAHZWYYKXUNBK-HNNXBMFYSA-N 1 2 377.535 2.300 20 0 GEADLO Cc1[nH]c(=S)sc1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000041796255 642533242 /nfs/dbraw/zinc/53/32/42/642533242.db2.gz DNAHZWYYKXUNBK-HNNXBMFYSA-N 1 2 377.535 2.300 20 0 GEADLO NC(=O)N[C@@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccs1 ZINC000041975615 642538097 /nfs/dbraw/zinc/53/80/97/642538097.db2.gz BVQURAZQDBYOAP-AWEZNQCLSA-N 1 2 378.523 2.254 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000489663784 650760909 /nfs/dbraw/zinc/76/09/09/650760909.db2.gz VIPCITPLNZKDCW-CYBMUJFWSA-N 1 2 383.857 2.007 20 0 GEADLO O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000489797917 650763808 /nfs/dbraw/zinc/76/38/08/650763808.db2.gz UZYYGRCRJLMTDS-UHFFFAOYSA-N 1 2 398.224 2.231 20 0 GEADLO Cc1cc(N2C[C@H](C(=O)NCCn3cc[nH+]c3)CC2=O)ccc1Br ZINC000045197157 642591100 /nfs/dbraw/zinc/59/11/00/642591100.db2.gz IFCHESWKSBIUFJ-CYBMUJFWSA-N 1 2 391.269 2.123 20 0 GEADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2Br)CC1 ZINC000046052513 642602794 /nfs/dbraw/zinc/60/27/94/642602794.db2.gz WYAFBCBYWUVDDG-UHFFFAOYSA-N 1 2 382.302 2.122 20 0 GEADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2Br)CC1 ZINC000046052513 642602800 /nfs/dbraw/zinc/60/28/00/642602800.db2.gz WYAFBCBYWUVDDG-UHFFFAOYSA-N 1 2 382.302 2.122 20 0 GEADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CSCC(F)(F)F ZINC000534150487 650769323 /nfs/dbraw/zinc/76/93/23/650769323.db2.gz YQJTZHCBMWRIQW-CYBMUJFWSA-N 1 2 376.448 2.004 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052693844 642725304 /nfs/dbraw/zinc/72/53/04/642725304.db2.gz HOGVQQXPTCFIOD-UONOGXRCSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052693844 642725306 /nfs/dbraw/zinc/72/53/06/642725306.db2.gz HOGVQQXPTCFIOD-UONOGXRCSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1Br ZINC000054675556 642755891 /nfs/dbraw/zinc/75/58/91/642755891.db2.gz LIYGJXVFZYGMPE-CQSZACIVSA-N 1 2 393.285 2.111 20 0 GEADLO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Br ZINC000054675556 642755898 /nfs/dbraw/zinc/75/58/98/642755898.db2.gz LIYGJXVFZYGMPE-CQSZACIVSA-N 1 2 393.285 2.111 20 0 GEADLO O=C(CCc1ccc(Cl)s1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057063118 642802812 /nfs/dbraw/zinc/80/28/12/642802812.db2.gz CQZPOZZOOAWTBG-UHFFFAOYSA-N 1 2 379.917 2.063 20 0 GEADLO O=C(CCNC(=O)OCC(F)(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000057235946 642809355 /nfs/dbraw/zinc/80/93/55/642809355.db2.gz NJCXPLZRKYBWDI-UHFFFAOYSA-N 1 2 379.404 2.071 20 0 GEADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1nc2ncc(Br)cn2n1 ZINC000065738086 642886176 /nfs/dbraw/zinc/88/61/76/642886176.db2.gz CRMGNURYOAMFBW-UHFFFAOYSA-N 1 2 398.224 2.003 20 0 GEADLO CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536015257 650794260 /nfs/dbraw/zinc/79/42/60/650794260.db2.gz GFWKXIYGQKPJIQ-GDBMZVCRSA-N 1 2 381.567 2.340 20 0 GEADLO O=C(c1cc(Br)cnc1Cl)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000067804117 642977282 /nfs/dbraw/zinc/97/72/82/642977282.db2.gz RMAYNWXBCTVRKR-LBPRGKRZSA-N 1 2 388.693 2.434 20 0 GEADLO CC(C)(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1Cl ZINC000068507573 643004637 /nfs/dbraw/zinc/00/46/37/643004637.db2.gz MXCINGIUKAPSSA-UHFFFAOYSA-N 1 2 386.945 2.243 20 0 GEADLO C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1Cl ZINC000069039656 643019118 /nfs/dbraw/zinc/01/91/18/643019118.db2.gz HGSHUVGQJXACPH-CYBMUJFWSA-N 1 2 387.933 2.209 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@H](CN2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000069857802 643042078 /nfs/dbraw/zinc/04/20/78/643042078.db2.gz URWLKQFEZWXEOS-INIZCTEOSA-N 1 2 386.945 2.158 20 0 GEADLO O=S(=O)(CC[N@H+]1CCC[C@H](CN2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000069857802 643042086 /nfs/dbraw/zinc/04/20/86/643042086.db2.gz URWLKQFEZWXEOS-INIZCTEOSA-N 1 2 386.945 2.158 20 0 GEADLO CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000074128615 643063337 /nfs/dbraw/zinc/06/33/37/643063337.db2.gz XIFQTGUXIRVDEE-CQSZACIVSA-N 1 2 377.501 2.266 20 0 GEADLO CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000074128615 643063345 /nfs/dbraw/zinc/06/33/45/643063345.db2.gz XIFQTGUXIRVDEE-CQSZACIVSA-N 1 2 377.501 2.266 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C(=O)OC)o2)s1 ZINC000537301982 650812694 /nfs/dbraw/zinc/81/26/94/650812694.db2.gz PTGRZRSJGHZHQH-UHFFFAOYSA-N 1 2 386.495 2.448 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000097258901 643095690 /nfs/dbraw/zinc/09/56/90/643095690.db2.gz LZCLNXJHUZOUOF-MRXNPFEDSA-N 1 2 394.313 2.151 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000097258901 643095697 /nfs/dbraw/zinc/09/56/97/643095697.db2.gz LZCLNXJHUZOUOF-MRXNPFEDSA-N 1 2 394.313 2.151 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000494686515 650814567 /nfs/dbraw/zinc/81/45/67/650814567.db2.gz OIZAORIHAYRBIL-FZMZJTMJSA-N 1 2 384.889 2.465 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000494686515 650814568 /nfs/dbraw/zinc/81/45/68/650814568.db2.gz OIZAORIHAYRBIL-FZMZJTMJSA-N 1 2 384.889 2.465 20 0 GEADLO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000101923691 643118448 /nfs/dbraw/zinc/11/84/48/643118448.db2.gz OCBWIVUXZAATEF-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000101923691 643118455 /nfs/dbraw/zinc/11/84/55/643118455.db2.gz OCBWIVUXZAATEF-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO Cn1cc([C@@H](CO)[NH2+]Cc2cc3c(cc2Br)OCCCO3)cn1 ZINC000494809228 650817096 /nfs/dbraw/zinc/81/70/96/650817096.db2.gz NYRYFYDGZYUPLL-CQSZACIVSA-N 1 2 382.258 2.167 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000494813365 650817178 /nfs/dbraw/zinc/81/71/78/650817178.db2.gz VSAKJCAZYXCDEA-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000494813365 650817179 /nfs/dbraw/zinc/81/71/79/650817179.db2.gz VSAKJCAZYXCDEA-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO NC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000103479760 643167906 /nfs/dbraw/zinc/16/79/06/643167906.db2.gz ULBUWIZGDVXPGM-CYBMUJFWSA-N 1 2 387.267 2.371 20 0 GEADLO NC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000103479760 643167911 /nfs/dbraw/zinc/16/79/11/643167911.db2.gz ULBUWIZGDVXPGM-CYBMUJFWSA-N 1 2 387.267 2.371 20 0 GEADLO C[C@H](NC(=O)NCc1cc(F)ccc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000105167188 643200427 /nfs/dbraw/zinc/20/04/27/643200427.db2.gz OMVNOQIEOFYMJN-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)NC2(c3ccc(Br)cc3)CCC2)C1 ZINC000105235650 643201893 /nfs/dbraw/zinc/20/18/93/643201893.db2.gz LVDABMDFXMRFFH-OAHLLOKOSA-N 1 2 382.302 2.458 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)NC2(c3ccc(Br)cc3)CCC2)C1 ZINC000105235650 643201897 /nfs/dbraw/zinc/20/18/97/643201897.db2.gz LVDABMDFXMRFFH-OAHLLOKOSA-N 1 2 382.302 2.458 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)N(C)C1CCCCC1)[NH+]1CCOCC1 ZINC000105935617 643215653 /nfs/dbraw/zinc/21/56/53/643215653.db2.gz NQDBBFDJRGYTCX-SFHVURJKSA-N 1 2 375.579 2.222 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCc3c(Br)cccc3C2)C[C@@H](C)O1 ZINC000106384801 643229298 /nfs/dbraw/zinc/22/92/98/643229298.db2.gz JVYVNRLKBNWDCR-IIAWOOMASA-N 1 2 383.330 2.277 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCc3c(Br)cccc3C2)C[C@@H](C)O1 ZINC000106384801 643229300 /nfs/dbraw/zinc/22/93/00/643229300.db2.gz JVYVNRLKBNWDCR-IIAWOOMASA-N 1 2 383.330 2.277 20 0 GEADLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000495198222 650823667 /nfs/dbraw/zinc/82/36/67/650823667.db2.gz ZWHWZUOKZOOJMR-GOEBONIOSA-N 1 2 385.302 2.132 20 0 GEADLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000495198222 650823669 /nfs/dbraw/zinc/82/36/69/650823669.db2.gz ZWHWZUOKZOOJMR-GOEBONIOSA-N 1 2 385.302 2.132 20 0 GEADLO COc1cc[nH+]c(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000106859375 643241544 /nfs/dbraw/zinc/24/15/44/643241544.db2.gz AKFLQOQTFYVVQL-UHFFFAOYSA-N 1 2 381.885 2.250 20 0 GEADLO CC(C)[C@@H](C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[NH+](C)C ZINC000106915601 643245482 /nfs/dbraw/zinc/24/54/82/643245482.db2.gz WIRDYAPOIYRTKG-AWEZNQCLSA-N 1 2 380.290 2.437 20 0 GEADLO CC(C)[C@@H](C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)[NH+](C)C ZINC000106915601 643245486 /nfs/dbraw/zinc/24/54/86/643245486.db2.gz WIRDYAPOIYRTKG-AWEZNQCLSA-N 1 2 380.290 2.437 20 0 GEADLO CC(C)[C@H](C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[NH+](C)C ZINC000106915603 643245814 /nfs/dbraw/zinc/24/58/14/643245814.db2.gz WIRDYAPOIYRTKG-CQSZACIVSA-N 1 2 380.290 2.437 20 0 GEADLO CC(C)[C@H](C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)[NH+](C)C ZINC000106915603 643245815 /nfs/dbraw/zinc/24/58/15/643245815.db2.gz WIRDYAPOIYRTKG-CQSZACIVSA-N 1 2 380.290 2.437 20 0 GEADLO COc1ccc(Br)c(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000106945090 643247076 /nfs/dbraw/zinc/24/70/76/643247076.db2.gz JFPMHNSZCRAEFP-LBPRGKRZSA-N 1 2 385.306 2.215 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CSCc2cccc(Cl)c2)CC1 ZINC000109116311 643289935 /nfs/dbraw/zinc/28/99/35/643289935.db2.gz ACKWXCRNANHKRC-UHFFFAOYSA-N 1 2 383.945 2.244 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CSCc2cccc(Cl)c2)CC1 ZINC000109116311 643289942 /nfs/dbraw/zinc/28/99/42/643289942.db2.gz ACKWXCRNANHKRC-UHFFFAOYSA-N 1 2 383.945 2.244 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000111231932 643330244 /nfs/dbraw/zinc/33/02/44/643330244.db2.gz AORKUWGPYPVHHP-DOMZBBRYSA-N 1 2 380.794 2.352 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000111231932 643330248 /nfs/dbraw/zinc/33/02/48/643330248.db2.gz AORKUWGPYPVHHP-DOMZBBRYSA-N 1 2 380.794 2.352 20 0 GEADLO CC(C)(CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000111433561 643339884 /nfs/dbraw/zinc/33/98/84/643339884.db2.gz YIQNKSYAPMVTTO-OAHLLOKOSA-N 1 2 390.311 2.437 20 0 GEADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000538626766 650837942 /nfs/dbraw/zinc/83/79/42/650837942.db2.gz CSFWBUDQACHDIC-UHFFFAOYSA-N 1 2 378.807 2.083 20 0 GEADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000538626766 650837943 /nfs/dbraw/zinc/83/79/43/650837943.db2.gz CSFWBUDQACHDIC-UHFFFAOYSA-N 1 2 378.807 2.083 20 0 GEADLO COCC[N@H+](CCC(=O)OC)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000113255111 643386116 /nfs/dbraw/zinc/38/61/16/643386116.db2.gz VULFYXKIPZFZKT-UHFFFAOYSA-N 1 2 388.218 2.104 20 0 GEADLO COCC[N@@H+](CCC(=O)OC)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000113255111 643386122 /nfs/dbraw/zinc/38/61/22/643386122.db2.gz VULFYXKIPZFZKT-UHFFFAOYSA-N 1 2 388.218 2.104 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000115676964 643444513 /nfs/dbraw/zinc/44/45/13/643444513.db2.gz CIWOSEFUJBGBMN-HNNXBMFYSA-N 1 2 382.302 2.111 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000115676964 643444515 /nfs/dbraw/zinc/44/45/15/643444515.db2.gz CIWOSEFUJBGBMN-HNNXBMFYSA-N 1 2 382.302 2.111 20 0 GEADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000115699581 643445443 /nfs/dbraw/zinc/44/54/43/643445443.db2.gz UURCAILGMJFKAU-KBPBESRZSA-N 1 2 387.571 2.176 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000116636933 643468178 /nfs/dbraw/zinc/46/81/78/643468178.db2.gz KXQGYDNQFUXLLK-UHFFFAOYSA-N 1 2 383.857 2.349 20 0 GEADLO CC(C)(CNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1)[NH+]1CCOCC1 ZINC000118461158 643513215 /nfs/dbraw/zinc/51/32/15/643513215.db2.gz IRLSSXXBSHAWEC-OAHLLOKOSA-N 1 2 390.311 2.437 20 0 GEADLO CS(=O)(=O)N1CCN(c2ccc(NCc3ccc(Cl)cc3)c[nH+]2)CC1 ZINC000119687947 643565705 /nfs/dbraw/zinc/56/57/05/643565705.db2.gz VZFBCIFRIAICKA-UHFFFAOYSA-N 1 2 380.901 2.429 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000119742180 643569763 /nfs/dbraw/zinc/56/97/63/643569763.db2.gz QBVWVXVJQAGQHD-UHFFFAOYSA-N 1 2 389.308 2.196 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(Br)ccc2F)C[C@@H]1C ZINC000539782284 650850042 /nfs/dbraw/zinc/85/00/42/650850042.db2.gz IEDQHVCPECKIJU-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(Br)ccc2F)C[C@@H]1C ZINC000539782284 650850046 /nfs/dbraw/zinc/85/00/46/650850046.db2.gz IEDQHVCPECKIJU-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO Cn1ccnc1[C@H](O)C1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000120389011 643603298 /nfs/dbraw/zinc/60/32/98/643603298.db2.gz AJOCDNULDGRTDW-MRXNPFEDSA-N 1 2 382.917 2.197 20 0 GEADLO COc1ccc(Br)c(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000539913337 650853259 /nfs/dbraw/zinc/85/32/59/650853259.db2.gz NYQPASQHKOTMLB-AWEZNQCLSA-N 1 2 391.331 2.360 20 0 GEADLO COc1ccc(Br)c(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000539913337 650853264 /nfs/dbraw/zinc/85/32/64/650853264.db2.gz NYQPASQHKOTMLB-AWEZNQCLSA-N 1 2 391.331 2.360 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc(I)c2)CC[N@H+]1C ZINC000539949309 650854936 /nfs/dbraw/zinc/85/49/36/650854936.db2.gz BFTSUSFLGRTDGX-MNOVXSKESA-N 1 2 394.278 2.004 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc(I)c2)CC[N@@H+]1C ZINC000539949309 650854937 /nfs/dbraw/zinc/85/49/37/650854937.db2.gz BFTSUSFLGRTDGX-MNOVXSKESA-N 1 2 394.278 2.004 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cnc1Cl ZINC000125448436 643707694 /nfs/dbraw/zinc/70/76/94/643707694.db2.gz DMZDLRSGFPIMQO-CQSZACIVSA-N 1 2 387.933 2.355 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000127152648 643759695 /nfs/dbraw/zinc/75/96/95/643759695.db2.gz FUGIPNLHTNUWLG-OCCSQVGLSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127152648 643759698 /nfs/dbraw/zinc/75/96/98/643759698.db2.gz FUGIPNLHTNUWLG-OCCSQVGLSA-N 1 2 383.286 2.196 20 0 GEADLO NS(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000128958053 643815983 /nfs/dbraw/zinc/81/59/83/643815983.db2.gz ZTLCYCFPVDLUQJ-UHFFFAOYSA-N 1 2 383.876 2.449 20 0 GEADLO CC(C)CN(CC(C)(C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000130084666 643829302 /nfs/dbraw/zinc/82/93/02/643829302.db2.gz RLJWWDITGTYUNW-UHFFFAOYSA-N 1 2 375.579 2.209 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000130748501 643849187 /nfs/dbraw/zinc/84/91/87/643849187.db2.gz CFGMCOPSHXSOTH-AWEZNQCLSA-N 1 2 380.794 2.124 20 0 GEADLO C[C@@H](CNC(=O)Cc1c[nH]c2cc(Br)ccc12)[NH+]1CCN(C)CC1 ZINC000131284350 643870180 /nfs/dbraw/zinc/87/01/80/643870180.db2.gz JMVZRCPBMZHSFB-ZDUSSCGKSA-N 1 2 393.329 2.225 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000134298379 643903636 /nfs/dbraw/zinc/90/36/36/643903636.db2.gz RIGCXMUSBCRLRK-YVEFUNNKSA-N 1 2 386.323 2.312 20 0 GEADLO Cc1cc(Cl)c(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000153901657 644011609 /nfs/dbraw/zinc/01/16/09/644011609.db2.gz VLWJHEFPWNXKDW-GFCCVEGCSA-N 1 2 376.284 2.459 20 0 GEADLO COc1cnc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)nc1 ZINC000499446609 650884237 /nfs/dbraw/zinc/88/42/37/650884237.db2.gz XAXPPZQYGJHHGL-UHFFFAOYSA-N 1 2 390.241 2.176 20 0 GEADLO COCC[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)[C@H](C)C(N)=O ZINC000154138776 644020659 /nfs/dbraw/zinc/02/06/59/644020659.db2.gz MNEAHZAZYCPHRW-GFCCVEGCSA-N 1 2 393.285 2.228 20 0 GEADLO COCC[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)[C@H](C)C(N)=O ZINC000154138776 644020666 /nfs/dbraw/zinc/02/06/66/644020666.db2.gz MNEAHZAZYCPHRW-GFCCVEGCSA-N 1 2 393.285 2.228 20 0 GEADLO O=C(NCCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000154260139 644029392 /nfs/dbraw/zinc/02/93/92/644029392.db2.gz BZRDXYBBMPIVEC-UHFFFAOYSA-N 1 2 377.794 2.166 20 0 GEADLO CS(=O)(=O)CC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000156788122 644117933 /nfs/dbraw/zinc/11/79/33/644117933.db2.gz DNZPBSJLHOZOCG-GFCCVEGCSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)CC[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000156788122 644117936 /nfs/dbraw/zinc/11/79/36/644117936.db2.gz DNZPBSJLHOZOCG-GFCCVEGCSA-N 1 2 382.309 2.242 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000157030000 644126757 /nfs/dbraw/zinc/12/67/57/644126757.db2.gz HEQMQWQAWXWSIF-SJORKVTESA-N 1 2 396.329 2.162 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000499926574 650894972 /nfs/dbraw/zinc/89/49/72/650894972.db2.gz HAKDDSWDRXTIES-MRVPVSSYSA-N 1 2 392.656 2.343 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000499926574 650894974 /nfs/dbraw/zinc/89/49/74/650894974.db2.gz HAKDDSWDRXTIES-MRVPVSSYSA-N 1 2 392.656 2.343 20 0 GEADLO O=C(C[N@@H+]1CCOCC2(CC2)C1)Nc1ccc(I)cc1 ZINC000542986009 650897031 /nfs/dbraw/zinc/89/70/31/650897031.db2.gz JWXFWPTZKWERII-UHFFFAOYSA-N 1 2 386.233 2.342 20 0 GEADLO O=C(C[N@H+]1CCOCC2(CC2)C1)Nc1ccc(I)cc1 ZINC000542986009 650897032 /nfs/dbraw/zinc/89/70/32/650897032.db2.gz JWXFWPTZKWERII-UHFFFAOYSA-N 1 2 386.233 2.342 20 0 GEADLO NC(=O)[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1cccc(Br)c1 ZINC000162051829 644230282 /nfs/dbraw/zinc/23/02/82/644230282.db2.gz LDHZAMAVLZYKII-QGZVFWFLSA-N 1 2 388.265 2.154 20 0 GEADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H](C)O1 ZINC000170658063 644283952 /nfs/dbraw/zinc/28/39/52/644283952.db2.gz XLPKSLVZYISAQU-PHIMTYICSA-N 1 2 382.313 2.166 20 0 GEADLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H](C)O1 ZINC000170658064 644283985 /nfs/dbraw/zinc/28/39/85/644283985.db2.gz XLPKSLVZYISAQU-QWRGUYRKSA-N 1 2 382.313 2.166 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170866668 644293858 /nfs/dbraw/zinc/29/38/58/644293858.db2.gz QREMPSQZYYXFJA-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170866668 644293869 /nfs/dbraw/zinc/29/38/69/644293869.db2.gz QREMPSQZYYXFJA-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCCc2ccc(Br)s2)CCO1 ZINC000171006050 644301060 /nfs/dbraw/zinc/30/10/60/644301060.db2.gz SOZJXUIVZZQXQI-UHFFFAOYSA-N 1 2 390.347 2.463 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCCc2ccc(Br)s2)CCO1 ZINC000171006050 644301065 /nfs/dbraw/zinc/30/10/65/644301065.db2.gz SOZJXUIVZZQXQI-UHFFFAOYSA-N 1 2 390.347 2.463 20 0 GEADLO CO[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000171129884 644313108 /nfs/dbraw/zinc/31/31/08/644313108.db2.gz KMQJDYOAHRCKBH-WMLDXEAASA-N 1 2 396.285 2.284 20 0 GEADLO CO[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000171129884 644313110 /nfs/dbraw/zinc/31/31/10/644313110.db2.gz KMQJDYOAHRCKBH-WMLDXEAASA-N 1 2 396.285 2.284 20 0 GEADLO O=C(NCCc1ccc(I)s1)NCCn1cc[nH+]c1 ZINC000171188128 644315037 /nfs/dbraw/zinc/31/50/37/644315037.db2.gz OGKXKPSLITVISB-UHFFFAOYSA-N 1 2 390.250 2.091 20 0 GEADLO C[C@H](NC(=O)NCCc1ccc(Br)s1)[C@H](C)[NH+]1CCOCC1 ZINC000171603462 644329644 /nfs/dbraw/zinc/32/96/44/644329644.db2.gz TXZBBWHKUYIVKF-RYUDHWBXSA-N 1 2 390.347 2.462 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)NCc1ccc(Cl)s1 ZINC000171619673 644330685 /nfs/dbraw/zinc/33/06/85/644330685.db2.gz UGNPWZXHYUYKTC-LBPRGKRZSA-N 1 2 379.917 2.435 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1)NCc1ccc(Cl)s1 ZINC000171619673 644330686 /nfs/dbraw/zinc/33/06/86/644330686.db2.gz UGNPWZXHYUYKTC-LBPRGKRZSA-N 1 2 379.917 2.435 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000171639049 644331162 /nfs/dbraw/zinc/33/11/62/644331162.db2.gz HWHFEBQRLMQVFU-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CCO1 ZINC000172617662 644341950 /nfs/dbraw/zinc/34/19/50/644341950.db2.gz VUPNIDFYAZFZEQ-AWEZNQCLSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CCO1 ZINC000172617662 644341953 /nfs/dbraw/zinc/34/19/53/644341953.db2.gz VUPNIDFYAZFZEQ-AWEZNQCLSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(I)cc1 ZINC000543673997 650918657 /nfs/dbraw/zinc/91/86/57/650918657.db2.gz GBWGYOKHHJRAIS-GHMZBOCLSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(I)cc1 ZINC000543673997 650918662 /nfs/dbraw/zinc/91/86/62/650918662.db2.gz GBWGYOKHHJRAIS-GHMZBOCLSA-N 1 2 394.278 2.004 20 0 GEADLO C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174788498 644381610 /nfs/dbraw/zinc/38/16/10/644381610.db2.gz HKLBCFKGTWDDRC-CABCVRRESA-N 1 2 383.901 2.136 20 0 GEADLO C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174788498 644381615 /nfs/dbraw/zinc/38/16/15/644381615.db2.gz HKLBCFKGTWDDRC-CABCVRRESA-N 1 2 383.901 2.136 20 0 GEADLO O=C(NCC[C@H](O)C(F)(F)F)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000543644612 650916997 /nfs/dbraw/zinc/91/69/97/650916997.db2.gz OPTVUVVIDIYLNF-AWEZNQCLSA-N 1 2 379.810 2.311 20 0 GEADLO O=C(NCC[C@H](O)C(F)(F)F)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000543644612 650917000 /nfs/dbraw/zinc/91/70/00/650917000.db2.gz OPTVUVVIDIYLNF-AWEZNQCLSA-N 1 2 379.810 2.311 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(I)cc2)CC[N@H+]1C ZINC000543674001 650918617 /nfs/dbraw/zinc/91/86/17/650918617.db2.gz GBWGYOKHHJRAIS-MNOVXSKESA-N 1 2 394.278 2.004 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(I)cc2)CC[N@@H+]1C ZINC000543674001 650918621 /nfs/dbraw/zinc/91/86/21/650918621.db2.gz GBWGYOKHHJRAIS-MNOVXSKESA-N 1 2 394.278 2.004 20 0 GEADLO COC(=O)N1CC(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000178599249 644435576 /nfs/dbraw/zinc/43/55/76/644435576.db2.gz SEBRKJBYFRHYJF-OAHLLOKOSA-N 1 2 396.285 2.153 20 0 GEADLO C[C@H]([C@H](C)[N@H+](C)Cc1cc(Br)c2c(c1)OCCO2)S(C)(=O)=O ZINC000179683156 644467072 /nfs/dbraw/zinc/46/70/72/644467072.db2.gz FUQRVKQRWBEEKS-WDEREUQCSA-N 1 2 392.315 2.474 20 0 GEADLO C[C@H]([C@H](C)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCO2)S(C)(=O)=O ZINC000179683156 644467076 /nfs/dbraw/zinc/46/70/76/644467076.db2.gz FUQRVKQRWBEEKS-WDEREUQCSA-N 1 2 392.315 2.474 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000179921670 644480015 /nfs/dbraw/zinc/48/00/15/644480015.db2.gz PJFZDUWPMOYOKA-UHFFFAOYSA-N 1 2 391.269 2.334 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC(O)CC3)[nH+]c12 ZINC000544817870 650954386 /nfs/dbraw/zinc/95/43/86/650954386.db2.gz WZSDDMPLCDRPDX-UHFFFAOYSA-N 1 2 381.274 2.114 20 0 GEADLO COc1ccc(Br)cc1Cc1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000545087531 650961233 /nfs/dbraw/zinc/96/12/33/650961233.db2.gz UFWBHPRXVMDQDV-ZDUSSCGKSA-N 1 2 381.274 2.350 20 0 GEADLO COc1ccc(Br)cc1Cc1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000545087531 650961237 /nfs/dbraw/zinc/96/12/37/650961237.db2.gz UFWBHPRXVMDQDV-ZDUSSCGKSA-N 1 2 381.274 2.350 20 0 GEADLO Cc1csc([C@H](C)CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000183183413 644984551 /nfs/dbraw/zinc/98/45/51/644984551.db2.gz XHMSWZHRWYHLTA-DYVFJYSZSA-N 1 2 384.571 2.062 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000183193904 644986031 /nfs/dbraw/zinc/98/60/31/644986031.db2.gz KGFPLJRBELQDTP-UWVGGRQHSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000183193904 644986037 /nfs/dbraw/zinc/98/60/37/644986037.db2.gz KGFPLJRBELQDTP-UWVGGRQHSA-N 1 2 375.252 2.421 20 0 GEADLO CS(=O)(=O)N1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000183250946 644988795 /nfs/dbraw/zinc/98/87/95/644988795.db2.gz KXJLVGJJQYJIAB-UHFFFAOYSA-N 1 2 384.395 2.234 20 0 GEADLO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000183250946 644988799 /nfs/dbraw/zinc/98/87/99/644988799.db2.gz KXJLVGJJQYJIAB-UHFFFAOYSA-N 1 2 384.395 2.234 20 0 GEADLO Cc1ccc(CCC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)c(Br)c1 ZINC000185266497 645040479 /nfs/dbraw/zinc/04/04/79/645040479.db2.gz QGLZKJCGNYHVDG-OAHLLOKOSA-N 1 2 382.346 2.442 20 0 GEADLO CCn1cc(Br)cc1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000185449186 645046228 /nfs/dbraw/zinc/04/62/28/645046228.db2.gz DUNKCJAJKFJBTN-UHFFFAOYSA-N 1 2 378.274 2.331 20 0 GEADLO Cc1nc(N2CCN(C(=O)Cc3ccccc3Br)CC2)cc[nH+]1 ZINC000185449670 645046240 /nfs/dbraw/zinc/04/62/40/645046240.db2.gz WYZRTNLNIRAAKE-UHFFFAOYSA-N 1 2 375.270 2.439 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCCOCC3)[nH+]c12 ZINC000545448246 650974966 /nfs/dbraw/zinc/97/49/66/650974966.db2.gz NTIHSZWVGPNCSW-UHFFFAOYSA-N 1 2 381.274 2.380 20 0 GEADLO C[C@H]([C@H](C)[N@H+](C)C[C@H](O)c1ccc(F)c(Br)c1)S(C)(=O)=O ZINC000187038023 645080712 /nfs/dbraw/zinc/08/07/12/645080712.db2.gz ZUTIJEVKYAOXQP-RBZYPMLTSA-N 1 2 382.295 2.375 20 0 GEADLO C[C@H]([C@H](C)[N@@H+](C)C[C@H](O)c1ccc(F)c(Br)c1)S(C)(=O)=O ZINC000187038023 645080715 /nfs/dbraw/zinc/08/07/15/645080715.db2.gz ZUTIJEVKYAOXQP-RBZYPMLTSA-N 1 2 382.295 2.375 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000187262651 645086639 /nfs/dbraw/zinc/08/66/39/645086639.db2.gz ANJABGABUROLNA-UHFFFAOYSA-N 1 2 375.878 2.494 20 0 GEADLO C[C@@H]1CCCC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000187928715 645101024 /nfs/dbraw/zinc/10/10/24/645101024.db2.gz BMYXXVOFOBNEIU-HZPDHXFCSA-N 1 2 384.567 2.386 20 0 GEADLO C[C@@H]1CCCC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000187928715 645101027 /nfs/dbraw/zinc/10/10/27/645101027.db2.gz BMYXXVOFOBNEIU-HZPDHXFCSA-N 1 2 384.567 2.386 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c(Br)c1O ZINC000545560564 650979318 /nfs/dbraw/zinc/97/93/18/650979318.db2.gz BBGDALRIABSZIY-LBPRGKRZSA-N 1 2 384.274 2.153 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c(Br)c1O ZINC000545560564 650979321 /nfs/dbraw/zinc/97/93/21/650979321.db2.gz BBGDALRIABSZIY-LBPRGKRZSA-N 1 2 384.274 2.153 20 0 GEADLO Cc1cc(Br)cc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)c1 ZINC000188127176 645109514 /nfs/dbraw/zinc/10/95/14/645109514.db2.gz ZNMMNPABRQMZLI-UHFFFAOYSA-N 1 2 399.636 2.064 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)C(=O)Nc1nc(Cl)cc(NN)[nH+]1 ZINC000188128000 645109554 /nfs/dbraw/zinc/10/95/54/645109554.db2.gz MSOZHACDFUNIDP-UHFFFAOYSA-N 1 2 399.636 2.064 20 0 GEADLO Cc1cccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)c1Br ZINC000188123292 645109564 /nfs/dbraw/zinc/10/95/64/645109564.db2.gz IABNTQQOEAWENZ-UHFFFAOYSA-N 1 2 399.636 2.064 20 0 GEADLO CC(=O)N1CC(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000188625212 645122456 /nfs/dbraw/zinc/12/24/56/645122456.db2.gz ZTZYQJOQSOLPDS-UHFFFAOYSA-N 1 2 384.307 2.158 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000190367275 645153741 /nfs/dbraw/zinc/15/37/41/645153741.db2.gz OFMHQGZEDRPJHC-MRXNPFEDSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000190367275 645153745 /nfs/dbraw/zinc/15/37/45/645153745.db2.gz OFMHQGZEDRPJHC-MRXNPFEDSA-N 1 2 390.933 2.221 20 0 GEADLO C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1nnnn1C1CC1 ZINC000190538971 645158735 /nfs/dbraw/zinc/15/87/35/645158735.db2.gz VJSRXOMQHUQARS-SECBINFHSA-N 1 2 380.246 2.393 20 0 GEADLO C[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)c1nnnn1C1CC1 ZINC000191503666 645176660 /nfs/dbraw/zinc/17/66/60/645176660.db2.gz WDKXRQYDTRTXPT-SECBINFHSA-N 1 2 399.318 2.141 20 0 GEADLO CCS(=O)(=O)C1CC[NH+](C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000193259261 645257340 /nfs/dbraw/zinc/25/73/40/645257340.db2.gz SWJKDOFHTVHXJB-AWEZNQCLSA-N 1 2 375.918 2.287 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000546211608 650995994 /nfs/dbraw/zinc/99/59/94/650995994.db2.gz UWKNIBBYQOICJS-NHYWBVRUSA-N 1 2 395.301 2.312 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000546211608 650995998 /nfs/dbraw/zinc/99/59/98/650995998.db2.gz UWKNIBBYQOICJS-NHYWBVRUSA-N 1 2 395.301 2.312 20 0 GEADLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000193550641 645282200 /nfs/dbraw/zinc/28/22/00/645282200.db2.gz LZFDBHRZXZCWEN-DGCLKSJQSA-N 1 2 392.257 2.089 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000193575084 645285555 /nfs/dbraw/zinc/28/55/55/645285555.db2.gz FIMXAWFOPDTGAJ-UHFFFAOYSA-N 1 2 394.191 2.180 20 0 GEADLO Cc1cc(N2CC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2=O)ccc1Br ZINC000193829974 645302807 /nfs/dbraw/zinc/30/28/07/645302807.db2.gz CXIUXKOPTMVHLV-OAHLLOKOSA-N 1 2 391.269 2.335 20 0 GEADLO Cc1cc(N2CC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2=O)ccc1Br ZINC000193829974 645302819 /nfs/dbraw/zinc/30/28/19/645302819.db2.gz CXIUXKOPTMVHLV-OAHLLOKOSA-N 1 2 391.269 2.335 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2sccc2Br)C1 ZINC000194136411 645314775 /nfs/dbraw/zinc/31/47/75/645314775.db2.gz MPVBELGROXZUDE-LLVKDONJSA-N 1 2 397.360 2.146 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2sccc2Br)C1 ZINC000194136411 645314777 /nfs/dbraw/zinc/31/47/77/645314777.db2.gz MPVBELGROXZUDE-LLVKDONJSA-N 1 2 397.360 2.146 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)NCC[NH+]2CCCCC2)ccc1Br ZINC000194740861 645346443 /nfs/dbraw/zinc/34/64/43/645346443.db2.gz JSDNASAJTXBUHP-UHFFFAOYSA-N 1 2 389.315 2.068 20 0 GEADLO Cc1cc(NC(=O)CNc2[nH+]cnc3c2cnn3C)ccc1Br ZINC000195404794 645376574 /nfs/dbraw/zinc/37/65/74/645376574.db2.gz VRYAYXQDSMGIBR-UHFFFAOYSA-N 1 2 375.230 2.485 20 0 GEADLO Cc1cccc(C[NH+]2CCN(C(=O)c3c(Br)cnn3C)CC2)c1 ZINC000196734829 645382753 /nfs/dbraw/zinc/38/27/53/645382753.db2.gz LGYPQUQPWOPVSE-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO O=C1NCCC[C@@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000236561860 645411330 /nfs/dbraw/zinc/41/13/30/645411330.db2.gz QVUPIBUICFBXQE-JTQLQIEISA-N 1 2 378.064 2.285 20 0 GEADLO O=S(=O)(c1ccc(C[NH2+]Cc2cccnc2Cl)s1)N1CCOCC1 ZINC000237684190 645440004 /nfs/dbraw/zinc/44/00/04/645440004.db2.gz FIVBDEOQEOLDIU-UHFFFAOYSA-N 1 2 387.914 2.107 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000246324251 645479019 /nfs/dbraw/zinc/47/90/19/645479019.db2.gz ZGWBDOXBWOBMBU-RYUDHWBXSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C[C@H](C)O ZINC000246324251 645479022 /nfs/dbraw/zinc/47/90/22/645479022.db2.gz ZGWBDOXBWOBMBU-RYUDHWBXSA-N 1 2 381.325 2.459 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000246727761 645490489 /nfs/dbraw/zinc/49/04/89/645490489.db2.gz KVZMXZCBNATAJK-WCQYABFASA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000246727761 645490492 /nfs/dbraw/zinc/49/04/92/645490492.db2.gz KVZMXZCBNATAJK-WCQYABFASA-N 1 2 384.325 2.488 20 0 GEADLO COc1ccc(Br)c(Cc2nc([C@@H]3C[N@H+](C)CCN3C)no2)c1 ZINC000547205214 651018554 /nfs/dbraw/zinc/01/85/54/651018554.db2.gz QKNKYNHWMMUVNQ-AWEZNQCLSA-N 1 2 381.274 2.350 20 0 GEADLO COc1ccc(Br)c(Cc2nc([C@@H]3C[N@@H+](C)CCN3C)no2)c1 ZINC000547205214 651018556 /nfs/dbraw/zinc/01/85/56/651018556.db2.gz QKNKYNHWMMUVNQ-AWEZNQCLSA-N 1 2 381.274 2.350 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000248468376 645528407 /nfs/dbraw/zinc/52/84/07/645528407.db2.gz UDZNMPRIBFDSOO-CHWSQXEVSA-N 1 2 383.432 2.200 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000248468376 645528414 /nfs/dbraw/zinc/52/84/14/645528414.db2.gz UDZNMPRIBFDSOO-CHWSQXEVSA-N 1 2 383.432 2.200 20 0 GEADLO C[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000248889226 645541882 /nfs/dbraw/zinc/54/18/82/645541882.db2.gz RTVUDCZZCHUHEN-UONOGXRCSA-N 1 2 381.270 2.393 20 0 GEADLO C[N@@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000248889226 645541894 /nfs/dbraw/zinc/54/18/94/645541894.db2.gz RTVUDCZZCHUHEN-UONOGXRCSA-N 1 2 381.270 2.393 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[C@H](C)C1 ZINC000249215668 645550101 /nfs/dbraw/zinc/55/01/01/645550101.db2.gz TUEHZUAIANEKCV-MNOVXSKESA-N 1 2 398.859 2.017 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[C@H](C)C1 ZINC000249215668 645550105 /nfs/dbraw/zinc/55/01/05/645550105.db2.gz TUEHZUAIANEKCV-MNOVXSKESA-N 1 2 398.859 2.017 20 0 GEADLO O=C(c1ccccc1Br)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261715302 645596015 /nfs/dbraw/zinc/59/60/15/645596015.db2.gz KHGBUTDGLBDUQB-UHFFFAOYSA-N 1 2 390.285 2.164 20 0 GEADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000261922257 645612470 /nfs/dbraw/zinc/61/24/70/645612470.db2.gz BSJVVIJNGMFRNV-SNVBAGLBSA-N 1 2 393.271 2.201 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000264366173 645680433 /nfs/dbraw/zinc/68/04/33/645680433.db2.gz BZYXJOCVAFVWAX-GFCCVEGCSA-N 1 2 384.889 2.000 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000264366173 645680436 /nfs/dbraw/zinc/68/04/36/645680436.db2.gz BZYXJOCVAFVWAX-GFCCVEGCSA-N 1 2 384.889 2.000 20 0 GEADLO COc1cc[nH+]c(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000264378172 645681261 /nfs/dbraw/zinc/68/12/61/645681261.db2.gz CCMYWVYDLXSSAC-UHFFFAOYSA-N 1 2 387.914 2.312 20 0 GEADLO CCS(=O)(=O)C[C@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000264994706 645735653 /nfs/dbraw/zinc/73/56/53/645735653.db2.gz XWIOWBBWDBMAHJ-STQMWFEESA-N 1 2 388.559 2.320 20 0 GEADLO CCS(=O)(=O)C[C@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000264994706 645735657 /nfs/dbraw/zinc/73/56/57/645735657.db2.gz XWIOWBBWDBMAHJ-STQMWFEESA-N 1 2 388.559 2.320 20 0 GEADLO Cn1cc(CC[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)cn1 ZINC000265862186 645807732 /nfs/dbraw/zinc/80/77/32/645807732.db2.gz SJHKHFURKJXLBS-UHFFFAOYSA-N 1 2 377.286 2.183 20 0 GEADLO O=C(COc1cccc(Br)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000266284029 645835453 /nfs/dbraw/zinc/83/54/53/645835453.db2.gz AOGQSKGECSPCCX-OAHLLOKOSA-N 1 2 383.286 2.151 20 0 GEADLO CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2[nH]c[nH+]c2C)ccc1Cl ZINC000267003396 645871864 /nfs/dbraw/zinc/87/18/64/645871864.db2.gz ZLDSOXHTIDCAHE-UHFFFAOYSA-N 1 2 384.889 2.332 20 0 GEADLO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000268669101 645986675 /nfs/dbraw/zinc/98/66/75/645986675.db2.gz AFINWGSCFSWHBC-LLVKDONJSA-N 1 2 379.258 2.351 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270775358 646137515 /nfs/dbraw/zinc/13/75/15/646137515.db2.gz SNHCNRNJQQUWIU-WPRPVWTQSA-N 1 2 378.782 2.428 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270775358 646137517 /nfs/dbraw/zinc/13/75/17/646137517.db2.gz SNHCNRNJQQUWIU-WPRPVWTQSA-N 1 2 378.782 2.428 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1ccc(Br)c(C)c1 ZINC000270780604 646138387 /nfs/dbraw/zinc/13/83/87/646138387.db2.gz SLXXTNCFNUNKGY-HNNXBMFYSA-N 1 2 394.269 2.314 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1ccc(Br)c(C)c1 ZINC000270780604 646138389 /nfs/dbraw/zinc/13/83/89/646138389.db2.gz SLXXTNCFNUNKGY-HNNXBMFYSA-N 1 2 394.269 2.314 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C)c(Br)cc1C ZINC000271116621 646175353 /nfs/dbraw/zinc/17/53/53/646175353.db2.gz WGUFWIKQAXMXNL-AWEZNQCLSA-N 1 2 380.242 2.303 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C)c(Br)cc1C ZINC000271116621 646175358 /nfs/dbraw/zinc/17/53/58/646175358.db2.gz WGUFWIKQAXMXNL-AWEZNQCLSA-N 1 2 380.242 2.303 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000271263137 646186805 /nfs/dbraw/zinc/18/68/05/646186805.db2.gz HSTMUNIRGKXCNZ-CQSZACIVSA-N 1 2 386.290 2.107 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000271263137 646186808 /nfs/dbraw/zinc/18/68/08/646186808.db2.gz HSTMUNIRGKXCNZ-CQSZACIVSA-N 1 2 386.290 2.107 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271699918 646220962 /nfs/dbraw/zinc/22/09/62/646220962.db2.gz VZPFPOXYWUBWQP-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cn1ncc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1Br ZINC000273166367 646308494 /nfs/dbraw/zinc/30/84/94/646308494.db2.gz DBQMUDKKLHPXSV-UHFFFAOYSA-N 1 2 378.274 2.498 20 0 GEADLO COc1ccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c(Br)c1OC ZINC000274994215 646340537 /nfs/dbraw/zinc/34/05/37/646340537.db2.gz OQIVFJMODSPYCN-UHFFFAOYSA-N 1 2 380.242 2.108 20 0 GEADLO COc1ccc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)c(Br)c1OC ZINC000274994215 646340542 /nfs/dbraw/zinc/34/05/42/646340542.db2.gz OQIVFJMODSPYCN-UHFFFAOYSA-N 1 2 380.242 2.108 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCS(=O)(=O)C[C@@H](C)C3)c[nH+]c12 ZINC000277550087 646440641 /nfs/dbraw/zinc/44/06/41/646440641.db2.gz QYIFVUORXMPKPH-NSHDSACASA-N 1 2 386.315 2.272 20 0 GEADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc(O)c(Br)cc2Br)C1 ZINC000277577862 646445510 /nfs/dbraw/zinc/44/55/10/646445510.db2.gz SZUIIBOHUPCSQP-LLVKDONJSA-N 1 2 394.063 2.186 20 0 GEADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cc(O)c(Br)cc2Br)C1 ZINC000277577862 646445521 /nfs/dbraw/zinc/44/55/21/646445521.db2.gz SZUIIBOHUPCSQP-LLVKDONJSA-N 1 2 394.063 2.186 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000278368162 646517340 /nfs/dbraw/zinc/51/73/40/646517340.db2.gz SGWZSLALOWMULW-IUODEOHRSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000278368162 646517343 /nfs/dbraw/zinc/51/73/43/646517343.db2.gz SGWZSLALOWMULW-IUODEOHRSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000278659183 646535785 /nfs/dbraw/zinc/53/57/85/646535785.db2.gz KJMGUTPGNDQLQL-RYUDHWBXSA-N 1 2 394.331 2.365 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000278659183 646535790 /nfs/dbraw/zinc/53/57/90/646535790.db2.gz KJMGUTPGNDQLQL-RYUDHWBXSA-N 1 2 394.331 2.365 20 0 GEADLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000278807257 646551863 /nfs/dbraw/zinc/55/18/63/646551863.db2.gz SCKDPRCHCMMNKE-LBPRGKRZSA-N 1 2 386.315 2.443 20 0 GEADLO C[C@H]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)C[C@H]1n1cc[nH+]c1 ZINC000278825005 646553778 /nfs/dbraw/zinc/55/37/78/646553778.db2.gz UTGUVBPZCZXSFT-WCQYABFASA-N 1 2 379.258 2.398 20 0 GEADLO COC(=O)C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)c1cccc(Br)c1 ZINC000278908824 646561221 /nfs/dbraw/zinc/56/12/21/646561221.db2.gz QMIZBJSQSCZISF-CQSZACIVSA-N 1 2 380.242 2.444 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000279362509 646594957 /nfs/dbraw/zinc/59/49/57/646594957.db2.gz DKCINQATXICXNU-LLVKDONJSA-N 1 2 380.436 2.067 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(Br)c(F)c1 ZINC000279640649 646617472 /nfs/dbraw/zinc/61/74/72/646617472.db2.gz ZOBLCQLYOTVIMT-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO C[N@H+](CC[C@@H]1CCOC1=O)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280516213 646689872 /nfs/dbraw/zinc/68/98/72/646689872.db2.gz DKHOLVQHJATYQZ-GFCCVEGCSA-N 1 2 379.258 2.415 20 0 GEADLO C[N@@H+](CC[C@@H]1CCOC1=O)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280516213 646689876 /nfs/dbraw/zinc/68/98/76/646689876.db2.gz DKHOLVQHJATYQZ-GFCCVEGCSA-N 1 2 379.258 2.415 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000280658649 646702648 /nfs/dbraw/zinc/70/26/48/646702648.db2.gz BXMOZODRHPWKIW-UHFFFAOYSA-N 1 2 390.241 2.482 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000280744983 646712029 /nfs/dbraw/zinc/71/20/29/646712029.db2.gz KIMUXCADEOBIIB-UHFFFAOYSA-N 1 2 376.254 2.453 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)NCCc1ccc(I)s1 ZINC000280869575 646727134 /nfs/dbraw/zinc/72/71/34/646727134.db2.gz DZYVNQDQTZRSPY-UHFFFAOYSA-N 1 2 375.235 2.367 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](OCc2ccncc2)C1)Nc1ccc(Br)cn1 ZINC000281087784 646744605 /nfs/dbraw/zinc/74/46/05/646744605.db2.gz VBEWDJNLOAHRQJ-HNNXBMFYSA-N 1 2 391.269 2.469 20 0 GEADLO O=C(C[N@H+]1CC[C@H](OCc2ccncc2)C1)Nc1ccc(Br)cn1 ZINC000281087784 646744609 /nfs/dbraw/zinc/74/46/09/646744609.db2.gz VBEWDJNLOAHRQJ-HNNXBMFYSA-N 1 2 391.269 2.469 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000281968308 646806761 /nfs/dbraw/zinc/80/67/61/646806761.db2.gz JWPDDCMNRVUGBM-AWEZNQCLSA-N 1 2 388.917 2.082 20 0 GEADLO COC(=O)CN(Cc1cccc(Br)c1)C(=O)CCc1c[nH+]cn1C ZINC000282037776 646812071 /nfs/dbraw/zinc/81/20/71/646812071.db2.gz YJHPSTRIXHLWHS-UHFFFAOYSA-N 1 2 394.269 2.317 20 0 GEADLO C[C@@H]([NH2+]Cc1ncc(Br)cc1Br)C(=O)NCCF ZINC000282191369 646819631 /nfs/dbraw/zinc/81/96/31/646819631.db2.gz BMTKBTYMOLZXLX-SSDOTTSWSA-N 1 2 383.059 2.170 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1F)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000284085956 646832299 /nfs/dbraw/zinc/83/22/99/646832299.db2.gz AJRKLTFFAWHNGR-ZDUSSCGKSA-N 1 2 376.881 2.212 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000284377215 646839982 /nfs/dbraw/zinc/83/99/82/646839982.db2.gz DLLFLOXFEMKCOF-UHFFFAOYSA-N 1 2 383.279 2.397 20 0 GEADLO Brc1cnn(CCCC[NH2+][C@H](c2nnc[nH]2)c2cccnc2)c1 ZINC000284892703 646844815 /nfs/dbraw/zinc/84/48/15/646844815.db2.gz BVUHPXDKZOWDKF-AWEZNQCLSA-N 1 2 376.262 2.318 20 0 GEADLO CCOc1ccc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1Br ZINC000286048696 646865777 /nfs/dbraw/zinc/86/57/77/646865777.db2.gz RHGIXCYEENYLJK-LBPRGKRZSA-N 1 2 379.214 2.238 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(Br)cc1 ZINC000287354489 646885103 /nfs/dbraw/zinc/88/51/03/646885103.db2.gz MBBBJXSAOUQXPP-XJKSGUPXSA-N 1 2 382.302 2.454 20 0 GEADLO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2c[nH+]cn2C)c1 ZINC000291543669 647178494 /nfs/dbraw/zinc/17/84/94/647178494.db2.gz XXQNVARKVRRQLN-UHFFFAOYSA-N 1 2 384.889 2.032 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000292181639 647184799 /nfs/dbraw/zinc/18/47/99/647184799.db2.gz QPGQFGIAGYOAQK-AWEZNQCLSA-N 1 2 396.336 2.490 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)NC(C)(C)COc1ncccc1Br ZINC000292255921 647186600 /nfs/dbraw/zinc/18/66/00/647186600.db2.gz HQOQEKHOCLRLJY-UHFFFAOYSA-N 1 2 382.262 2.234 20 0 GEADLO Cc1nnc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)[nH]1 ZINC000292525251 647197564 /nfs/dbraw/zinc/19/75/64/647197564.db2.gz OMSANGKBGKAMJK-NSHDSACASA-N 1 2 379.262 2.121 20 0 GEADLO Cc1nnc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)[nH]1 ZINC000292525251 647197594 /nfs/dbraw/zinc/19/75/94/647197594.db2.gz OMSANGKBGKAMJK-NSHDSACASA-N 1 2 379.262 2.121 20 0 GEADLO CSCC[C@@H](NC(N)=O)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000292525442 647197715 /nfs/dbraw/zinc/19/77/15/647197715.db2.gz LLCGORDSQHKRMT-WCQYABFASA-N 1 2 385.559 2.104 20 0 GEADLO CSCC[C@@H](NC(N)=O)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000292525442 647197720 /nfs/dbraw/zinc/19/77/20/647197720.db2.gz LLCGORDSQHKRMT-WCQYABFASA-N 1 2 385.559 2.104 20 0 GEADLO CCOc1cc(CN2CC[C@H]([NH+]3CCOCC3)C2)cc(Br)c1O ZINC000322130833 647294491 /nfs/dbraw/zinc/29/44/91/647294491.db2.gz ICLVQQYCKZJEBN-AWEZNQCLSA-N 1 2 385.302 2.460 20 0 GEADLO Cc1cc(C)c(Br)c(C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000331238385 647372949 /nfs/dbraw/zinc/37/29/49/647372949.db2.gz LMKPYKAHSXYBSE-CYBMUJFWSA-N 1 2 398.301 2.374 20 0 GEADLO Cc1cc(C)c(Br)c(C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000331238385 647372951 /nfs/dbraw/zinc/37/29/51/647372951.db2.gz LMKPYKAHSXYBSE-CYBMUJFWSA-N 1 2 398.301 2.374 20 0 GEADLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c2ccc(Br)cc2n1 ZINC000332110785 647412449 /nfs/dbraw/zinc/41/24/49/647412449.db2.gz CDRXOEQPZWCGLC-CYBMUJFWSA-N 1 2 378.270 2.366 20 0 GEADLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c2ccc(Br)cc2n1 ZINC000332110785 647412453 /nfs/dbraw/zinc/41/24/53/647412453.db2.gz CDRXOEQPZWCGLC-CYBMUJFWSA-N 1 2 378.270 2.366 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000332173249 647419397 /nfs/dbraw/zinc/41/93/97/647419397.db2.gz SQNJCOUIARTKIZ-UHFFFAOYSA-N 1 2 385.258 2.018 20 0 GEADLO Cc1cc(C)c(Br)c(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1 ZINC000332314192 647431321 /nfs/dbraw/zinc/43/13/21/647431321.db2.gz UIJFAHIYBJOIOD-UHFFFAOYSA-N 1 2 392.301 2.115 20 0 GEADLO O=C(Nc1ccncc1I)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000332325281 647432831 /nfs/dbraw/zinc/43/28/31/647432831.db2.gz RGTIKWBQMYTRHG-UHFFFAOYSA-N 1 2 397.220 2.243 20 0 GEADLO O=C(Nc1ccncc1I)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000332325281 647432835 /nfs/dbraw/zinc/43/28/35/647432835.db2.gz RGTIKWBQMYTRHG-UHFFFAOYSA-N 1 2 397.220 2.243 20 0 GEADLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1nc(-c2cccc(Br)c2)no1 ZINC000332958814 647456573 /nfs/dbraw/zinc/45/65/73/647456573.db2.gz HLOIATIBZZGRHV-OLZOCXBDSA-N 1 2 377.242 2.352 20 0 GEADLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1nc(-c2cccc(Br)c2)no1 ZINC000332958814 647456579 /nfs/dbraw/zinc/45/65/79/647456579.db2.gz HLOIATIBZZGRHV-OLZOCXBDSA-N 1 2 377.242 2.352 20 0 GEADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000362689027 647571470 /nfs/dbraw/zinc/57/14/70/647571470.db2.gz NYKVRXLQZZVANT-UHFFFAOYSA-N 1 2 387.311 2.248 20 0 GEADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000362689027 647571477 /nfs/dbraw/zinc/57/14/77/647571477.db2.gz NYKVRXLQZZVANT-UHFFFAOYSA-N 1 2 387.311 2.248 20 0 GEADLO O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363100546 647584316 /nfs/dbraw/zinc/58/43/16/647584316.db2.gz HWNVGWWHXSHYPA-CYBMUJFWSA-N 1 2 391.269 2.308 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000363515993 647598636 /nfs/dbraw/zinc/59/86/36/647598636.db2.gz ODFPMXZJDWIVLS-UONOGXRCSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000363515993 647598640 /nfs/dbraw/zinc/59/86/40/647598640.db2.gz ODFPMXZJDWIVLS-UONOGXRCSA-N 1 2 384.307 2.377 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c(Br)c1OC ZINC000363638641 647604204 /nfs/dbraw/zinc/60/42/04/647604204.db2.gz SJAIIOBVQVXMBU-CYBMUJFWSA-N 1 2 398.301 2.456 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c(Br)c1OC ZINC000363638641 647604206 /nfs/dbraw/zinc/60/42/06/647604206.db2.gz SJAIIOBVQVXMBU-CYBMUJFWSA-N 1 2 398.301 2.456 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000364329114 647621745 /nfs/dbraw/zinc/62/17/45/647621745.db2.gz PVNPYYNJQXXTFK-IAGOWNOFSA-N 1 2 386.945 2.165 20 0 GEADLO Cc1cccc(NC[C@@H]2CCCN2Cc2csc(CS(C)(=O)=O)n2)[nH+]1 ZINC000364393367 647624500 /nfs/dbraw/zinc/62/45/00/647624500.db2.gz ZOUXZDMASMJCHK-HNNXBMFYSA-N 1 2 380.539 2.468 20 0 GEADLO C[N@H+](CC(=O)NC1CCOCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000364724152 647639209 /nfs/dbraw/zinc/63/92/09/647639209.db2.gz OGMICGQHNOYKPN-HNNXBMFYSA-N 1 2 383.286 2.500 20 0 GEADLO C[N@@H+](CC(=O)NC1CCOCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000364724152 647639211 /nfs/dbraw/zinc/63/92/11/647639211.db2.gz OGMICGQHNOYKPN-HNNXBMFYSA-N 1 2 383.286 2.500 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC(F)(F)C(F)F)CC2)cc1 ZINC000364808086 647643879 /nfs/dbraw/zinc/64/38/79/647643879.db2.gz XPXWESMNTMTKSF-UHFFFAOYSA-N 1 2 384.395 2.338 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCC[C@@]4(CNC(=O)O4)C3)c[nH+]c12 ZINC000364893330 647647614 /nfs/dbraw/zinc/64/76/14/647647614.db2.gz QMNOFXCLQAQOJS-MRXNPFEDSA-N 1 2 379.258 2.480 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000366053533 647691870 /nfs/dbraw/zinc/69/18/70/647691870.db2.gz RJDCQAMNUJCOLK-UHFFFAOYSA-N 1 2 397.361 2.306 20 0 GEADLO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366053916 647692416 /nfs/dbraw/zinc/69/24/16/647692416.db2.gz UQSDLJGKLMKWPC-GVDBMIGSSA-N 1 2 379.298 2.486 20 0 GEADLO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000366986788 647713056 /nfs/dbraw/zinc/71/30/56/647713056.db2.gz GHFNVNXSGSZGOT-OAHLLOKOSA-N 1 2 381.885 2.387 20 0 GEADLO O=C(Nc1nccs1)C1CC[NH+](Cc2ncc(C3OCCO3)s2)CC1 ZINC000367318796 647728963 /nfs/dbraw/zinc/72/89/63/647728963.db2.gz SDCQINZQFWRRHP-UHFFFAOYSA-N 1 2 380.495 2.496 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c(Br)c1 ZINC000368092336 647750642 /nfs/dbraw/zinc/75/06/42/647750642.db2.gz LESHKSYCKLGHJW-RWMBFGLXSA-N 1 2 380.286 2.152 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c(Br)c1 ZINC000368092336 647750645 /nfs/dbraw/zinc/75/06/45/647750645.db2.gz LESHKSYCKLGHJW-RWMBFGLXSA-N 1 2 380.286 2.152 20 0 GEADLO Cc1[nH+]c2n(c1C)CCN(C(=O)c1ccncc1I)C2 ZINC000371259694 647788609 /nfs/dbraw/zinc/78/86/09/647788609.db2.gz JMUGBOOBNNTTLA-UHFFFAOYSA-N 1 2 382.205 2.156 20 0 GEADLO O=C(C[NH+]1CCC(Cn2cc(Br)cn2)CC1)Nc1nccs1 ZINC000374642673 647823924 /nfs/dbraw/zinc/82/39/24/647823924.db2.gz COMWMWDXVDIORZ-UHFFFAOYSA-N 1 2 384.303 2.453 20 0 GEADLO Cc1cc(Br)ccc1C(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000377261752 647858649 /nfs/dbraw/zinc/85/86/49/647858649.db2.gz LCCVOZBQFMQZPH-UHFFFAOYSA-N 1 2 394.313 2.136 20 0 GEADLO Cc1cc(Br)ccc1C(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000377261752 647858652 /nfs/dbraw/zinc/85/86/52/647858652.db2.gz LCCVOZBQFMQZPH-UHFFFAOYSA-N 1 2 394.313 2.136 20 0 GEADLO CN(CCn1cc(Br)cn1)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000377478689 647859732 /nfs/dbraw/zinc/85/97/32/647859732.db2.gz RNSIDYVDLPTRPO-CQSZACIVSA-N 1 2 392.301 2.416 20 0 GEADLO O=C1NC[C@H]2C[N@H+](Cc3nc(-c4ccc(Br)s4)no3)CC[C@H]12 ZINC000377664326 647864049 /nfs/dbraw/zinc/86/40/49/647864049.db2.gz DVNRQHWHBHVSFH-IUCAKERBSA-N 1 2 383.271 2.129 20 0 GEADLO O=C1NC[C@H]2C[N@@H+](Cc3nc(-c4ccc(Br)s4)no3)CC[C@H]12 ZINC000377664326 647864051 /nfs/dbraw/zinc/86/40/51/647864051.db2.gz DVNRQHWHBHVSFH-IUCAKERBSA-N 1 2 383.271 2.129 20 0 GEADLO O=C1NC[C@@H]2C[N@H+](Cc3nc(-c4ccc(Br)s4)no3)CC[C@@H]12 ZINC000377664329 647864236 /nfs/dbraw/zinc/86/42/36/647864236.db2.gz DVNRQHWHBHVSFH-RKDXNWHRSA-N 1 2 383.271 2.129 20 0 GEADLO O=C1NC[C@@H]2C[N@@H+](Cc3nc(-c4ccc(Br)s4)no3)CC[C@@H]12 ZINC000377664329 647864240 /nfs/dbraw/zinc/86/42/40/647864240.db2.gz DVNRQHWHBHVSFH-RKDXNWHRSA-N 1 2 383.271 2.129 20 0 GEADLO CN1CC[C@H]([NH2+]Cc2nnc(S(C)(=O)=O)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000377672473 647864654 /nfs/dbraw/zinc/86/46/54/647864654.db2.gz RATAXTCVVXVXKL-JSGCOSHPSA-N 1 2 386.930 2.130 20 0 GEADLO NC(=O)C[C@@H]1CC[N@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000377848139 647868813 /nfs/dbraw/zinc/86/88/13/647868813.db2.gz UPMDXZSQLFHIBW-QMMMGPOBSA-N 1 2 380.176 2.267 20 0 GEADLO NC(=O)C[C@@H]1CC[N@@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000377848139 647868815 /nfs/dbraw/zinc/86/88/15/647868815.db2.gz UPMDXZSQLFHIBW-QMMMGPOBSA-N 1 2 380.176 2.267 20 0 GEADLO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000377981227 647874583 /nfs/dbraw/zinc/87/45/83/647874583.db2.gz DBBODGHGIHMRHJ-UHFFFAOYSA-N 1 2 383.633 2.280 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)cc1Br ZINC000378025114 647876347 /nfs/dbraw/zinc/87/63/47/647876347.db2.gz IMNYGZPBFFDGPC-UHFFFAOYSA-N 1 2 377.242 2.243 20 0 GEADLO C[N@@H+]1CCN(C2CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)C(=O)C1 ZINC000378561706 647884609 /nfs/dbraw/zinc/88/46/09/647884609.db2.gz ITEGMVTUKBXJKT-UHFFFAOYSA-N 1 2 384.307 2.301 20 0 GEADLO C[N@H+]1CCN(C2CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)C(=O)C1 ZINC000378561706 647884613 /nfs/dbraw/zinc/88/46/13/647884613.db2.gz ITEGMVTUKBXJKT-UHFFFAOYSA-N 1 2 384.307 2.301 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(Cl)ccc1Br ZINC000389344428 647891185 /nfs/dbraw/zinc/89/11/85/647891185.db2.gz JXOCUZDKZVKTFT-LBPRGKRZSA-N 1 2 386.633 2.340 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(Cl)ccc1Br ZINC000389344428 647891188 /nfs/dbraw/zinc/89/11/88/647891188.db2.gz JXOCUZDKZVKTFT-LBPRGKRZSA-N 1 2 386.633 2.340 20 0 GEADLO O=C(Nc1cc2ccc(Br)cn2n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000482136473 647893662 /nfs/dbraw/zinc/89/36/62/647893662.db2.gz BOIKMPTYQCSTRI-CQSZACIVSA-N 1 2 394.273 2.035 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000408069234 647922329 /nfs/dbraw/zinc/92/23/29/647922329.db2.gz AWQNKFFXFYCWME-ZIAGYGMSSA-N 1 2 385.555 2.087 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000408069234 647922335 /nfs/dbraw/zinc/92/23/35/647922335.db2.gz AWQNKFFXFYCWME-ZIAGYGMSSA-N 1 2 385.555 2.087 20 0 GEADLO COc1cnc(NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)s1 ZINC000411129609 648024781 /nfs/dbraw/zinc/02/47/81/648024781.db2.gz UFIXYSKQXBMSPF-LBPRGKRZSA-N 1 2 382.873 2.163 20 0 GEADLO CN(C)C(=O)[C@H]1CC[N@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000411949256 648038652 /nfs/dbraw/zinc/03/86/52/648038652.db2.gz VJQHJWWSMWJEOW-NSHDSACASA-N 1 2 379.309 2.177 20 0 GEADLO CN(C)C(=O)[C@H]1CC[N@@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000411949256 648038655 /nfs/dbraw/zinc/03/86/55/648038655.db2.gz VJQHJWWSMWJEOW-NSHDSACASA-N 1 2 379.309 2.177 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1S(C)(=O)=O)c1cccs1 ZINC000413048035 648058550 /nfs/dbraw/zinc/05/85/50/648058550.db2.gz QTLXAPBUYMRJOS-AWEZNQCLSA-N 1 2 381.523 2.254 20 0 GEADLO CC[C@@H](CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)CC(F)(F)F ZINC000413159018 648060362 /nfs/dbraw/zinc/06/03/62/648060362.db2.gz KCIRNCNRTZRDDM-HIFRSBDPSA-N 1 2 383.480 2.472 20 0 GEADLO C[C@H](O)CNc1cc(NC[C@H](C)Oc2cccc(Br)c2)nc[nH+]1 ZINC000413164245 648061100 /nfs/dbraw/zinc/06/11/00/648061100.db2.gz HITGBHVCPRSVHA-RYUDHWBXSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@H](O)CNc1cc(NC[C@H](C)Oc2cccc(Br)c2)[nH+]cn1 ZINC000413164245 648061105 /nfs/dbraw/zinc/06/11/05/648061105.db2.gz HITGBHVCPRSVHA-RYUDHWBXSA-N 1 2 381.274 2.911 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H](C)C[C@H](O)C3)[nH+]c12 ZINC000413458172 648064763 /nfs/dbraw/zinc/06/47/63/648064763.db2.gz QXCVAAFISWKHOZ-ABAIWWIYSA-N 1 2 395.301 2.360 20 0 GEADLO COc1cc(S(=O)(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)ccc1Cl ZINC000416464295 648133723 /nfs/dbraw/zinc/13/37/23/648133723.db2.gz HFAHMICDYRFRDN-UHFFFAOYSA-N 1 2 389.949 2.043 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000416532161 648162952 /nfs/dbraw/zinc/16/29/52/648162952.db2.gz HZEFREPNVHLOQU-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO Cc1cc(S(=O)(=O)NCCc2cn(C)c[nH+]2)c(F)cc1Br ZINC000416537162 648165200 /nfs/dbraw/zinc/16/52/00/648165200.db2.gz RYIIXENXYOZDNV-UHFFFAOYSA-N 1 2 376.251 2.151 20 0 GEADLO C[C@H]1CN(S(=O)(=O)CCOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000416595189 648181077 /nfs/dbraw/zinc/18/10/77/648181077.db2.gz QANHEGPUTYYSLU-AWEZNQCLSA-N 1 2 380.432 2.101 20 0 GEADLO C[C@H]1CN(S(=O)(=O)CCOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000416595189 648181082 /nfs/dbraw/zinc/18/10/82/648181082.db2.gz QANHEGPUTYYSLU-AWEZNQCLSA-N 1 2 380.432 2.101 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000416659478 648204708 /nfs/dbraw/zinc/20/47/08/648204708.db2.gz HFDSLDXIJJMVDN-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000416659478 648204717 /nfs/dbraw/zinc/20/47/17/648204717.db2.gz HFDSLDXIJJMVDN-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)Nc2cc(Cl)cc(F)c2F)CC1 ZINC000417092116 648224425 /nfs/dbraw/zinc/22/44/25/648224425.db2.gz FEECGCYNLQURSD-UHFFFAOYSA-N 1 2 377.819 2.429 20 0 GEADLO COC(=O)CNC(=O)[C@@H]1CCCN1c1[nH+]ccc2cc(Br)ccc21 ZINC000419031958 648329101 /nfs/dbraw/zinc/32/91/01/648329101.db2.gz VGBHWTOALGXJHV-AWEZNQCLSA-N 1 2 392.253 2.255 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC000419288132 648344771 /nfs/dbraw/zinc/34/47/71/648344771.db2.gz HECZKWQOKFQFRL-UHFFFAOYSA-N 1 2 384.889 2.013 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H](O)CSc2nnc(NCc3ccco3)s2)C[C@@H](C)O1 ZINC000512493026 648407827 /nfs/dbraw/zinc/40/78/27/648407827.db2.gz BPQTWHLOHZTIFX-JHJVBQTASA-N 1 2 384.527 2.305 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)C[C@H](CC)OC)CC2)cs1 ZINC000420671749 648432248 /nfs/dbraw/zinc/43/22/48/648432248.db2.gz DLJFTBINRPQJCS-INIZCTEOSA-N 1 2 389.587 2.262 20 0 GEADLO CC(=O)N[C@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000421641864 648501696 /nfs/dbraw/zinc/50/16/96/648501696.db2.gz WDXXIIIDKCVZNC-IRXDYDNUSA-N 1 2 394.313 2.323 20 0 GEADLO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422284320 648533392 /nfs/dbraw/zinc/53/33/92/648533392.db2.gz PPFWMVFIENFTHH-LLVKDONJSA-N 1 2 383.279 2.133 20 0 GEADLO CCOC(=O)CSc1nnc(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)s1 ZINC000422920173 648577149 /nfs/dbraw/zinc/57/71/49/648577149.db2.gz LSKKZJKFEAZOHJ-NSHDSACASA-N 1 2 388.421 2.110 20 0 GEADLO [NH3+][C@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)c1cscn1 ZINC000422982471 648579823 /nfs/dbraw/zinc/57/98/23/648579823.db2.gz QTVSDQRXPATMCJ-AWEZNQCLSA-N 1 2 399.303 2.434 20 0 GEADLO COc1cc(CNC(=O)[C@@H]([NH3+])c2cscn2)cc(Br)c1OC ZINC000423120003 648582398 /nfs/dbraw/zinc/58/23/98/648582398.db2.gz FMHNWALITOLZSE-LBPRGKRZSA-N 1 2 386.271 2.239 20 0 GEADLO COc1ncc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000424849128 648652650 /nfs/dbraw/zinc/65/26/50/648652650.db2.gz HXDIFUAEDOHBFJ-TXEJJXNPSA-N 1 2 386.290 2.034 20 0 GEADLO COc1ncc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000424849128 648652663 /nfs/dbraw/zinc/65/26/63/648652663.db2.gz HXDIFUAEDOHBFJ-TXEJJXNPSA-N 1 2 386.290 2.034 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)Cc2ccc(C(F)F)cc2)CC1 ZINC000425205763 648669978 /nfs/dbraw/zinc/66/99/78/648669978.db2.gz OYUFQZWFLVCRFA-UHFFFAOYSA-N 1 2 376.469 2.497 20 0 GEADLO CC(C)OCCOC1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC000425467570 648679386 /nfs/dbraw/zinc/67/93/86/648679386.db2.gz CGNZBOJVBCFODU-UHFFFAOYSA-N 1 2 390.571 2.404 20 0 GEADLO C[C@@H](SCCOCC(F)(F)F)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427700475 648725347 /nfs/dbraw/zinc/72/53/47/648725347.db2.gz AXKPDALRPRJBOH-CYBMUJFWSA-N 1 2 377.432 2.431 20 0 GEADLO C[NH+](C)CCn1cc(NC(=O)c2cc(F)cc(Br)c2O)ccc1=O ZINC000436847715 648796323 /nfs/dbraw/zinc/79/63/23/648796323.db2.gz GMKBCJWZOHOUGZ-UHFFFAOYSA-N 1 2 398.232 2.269 20 0 GEADLO CC[C@H]1CN(C(=O)c2cc(F)cc(Br)c2O)CC[N@@H+]1C[C@H](C)O ZINC000436852710 648796522 /nfs/dbraw/zinc/79/65/22/648796522.db2.gz AXWIMOXINPFWKO-JQWIXIFHSA-N 1 2 389.265 2.211 20 0 GEADLO CC[C@H]1CN(C(=O)c2cc(F)cc(Br)c2O)CC[N@H+]1C[C@H](C)O ZINC000436852710 648796524 /nfs/dbraw/zinc/79/65/24/648796524.db2.gz AXWIMOXINPFWKO-JQWIXIFHSA-N 1 2 389.265 2.211 20 0 GEADLO CCS(=O)(=O)c1ccc2oc(C[N@H+](CCO)[C@@H]3CCCSC3)nc2c1 ZINC000439003292 648807525 /nfs/dbraw/zinc/80/75/25/648807525.db2.gz FOIVRGRVQXXOSR-CYBMUJFWSA-N 1 2 384.523 2.311 20 0 GEADLO CCS(=O)(=O)c1ccc2oc(C[N@@H+](CCO)[C@@H]3CCCSC3)nc2c1 ZINC000439003292 648807526 /nfs/dbraw/zinc/80/75/26/648807526.db2.gz FOIVRGRVQXXOSR-CYBMUJFWSA-N 1 2 384.523 2.311 20 0 GEADLO COCc1cnc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000441369507 648825994 /nfs/dbraw/zinc/82/59/94/648825994.db2.gz VKOQGAYEHOYOOE-UHFFFAOYSA-N 1 2 393.893 2.150 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000443045797 648857227 /nfs/dbraw/zinc/85/72/27/648857227.db2.gz MGDJMRHWJNIFOZ-DOTOQJQBSA-N 1 2 381.885 2.467 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000443045797 648857230 /nfs/dbraw/zinc/85/72/30/648857230.db2.gz MGDJMRHWJNIFOZ-DOTOQJQBSA-N 1 2 381.885 2.467 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cc(Cl)cnc1N)[N@@H+]1CCc2sccc2C1 ZINC000443679681 648883764 /nfs/dbraw/zinc/88/37/64/648883764.db2.gz FXFCDGHSXODRGN-JTQLQIEISA-N 1 2 386.930 2.104 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cc(Cl)cnc1N)[N@H+]1CCc2sccc2C1 ZINC000443679681 648883766 /nfs/dbraw/zinc/88/37/66/648883766.db2.gz FXFCDGHSXODRGN-JTQLQIEISA-N 1 2 386.930 2.104 20 0 GEADLO O=C(NC1CC1)[C@@H](O)C1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000548352434 651077457 /nfs/dbraw/zinc/07/74/57/651077457.db2.gz HNXYBPJTAYPYMS-INIZCTEOSA-N 1 2 385.277 2.440 20 0 GEADLO COc1ccc(Br)cc1C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000548351418 651077460 /nfs/dbraw/zinc/07/74/60/651077460.db2.gz RIYCUMSDSMALIY-QGZVFWFLSA-N 1 2 397.313 2.309 20 0 GEADLO O=C(NCc1cc(Br)cc2c1OCC2)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548609178 651081874 /nfs/dbraw/zinc/08/18/74/651081874.db2.gz LPOJJVPZYACZME-CQSZACIVSA-N 1 2 391.269 2.395 20 0 GEADLO C[N@H+](CCn1cc(Br)cn1)CC(=O)Nc1nc2c(s1)CCC2 ZINC000554749777 651212203 /nfs/dbraw/zinc/21/22/03/651212203.db2.gz WDQWSBYVPYYCMV-UHFFFAOYSA-N 1 2 384.303 2.161 20 0 GEADLO C[N@@H+](CCn1cc(Br)cn1)CC(=O)Nc1nc2c(s1)CCC2 ZINC000554749777 651212205 /nfs/dbraw/zinc/21/22/05/651212205.db2.gz WDQWSBYVPYYCMV-UHFFFAOYSA-N 1 2 384.303 2.161 20 0 GEADLO CCC[N@H+](Cc1cc(Br)c(OC)s1)[C@@H]1CC(=O)N(C)C1=O ZINC000555349270 651223872 /nfs/dbraw/zinc/22/38/72/651223872.db2.gz DSTXHUNTYDLCOH-LLVKDONJSA-N 1 2 375.288 2.489 20 0 GEADLO CCC[N@@H+](Cc1cc(Br)c(OC)s1)[C@@H]1CC(=O)N(C)C1=O ZINC000555349270 651223873 /nfs/dbraw/zinc/22/38/73/651223873.db2.gz DSTXHUNTYDLCOH-LLVKDONJSA-N 1 2 375.288 2.489 20 0 GEADLO COc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1Br ZINC000555420383 651225350 /nfs/dbraw/zinc/22/53/50/651225350.db2.gz GSHDTVCWSHBYHJ-PHIMTYICSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000555420383 651225354 /nfs/dbraw/zinc/22/53/54/651225354.db2.gz GSHDTVCWSHBYHJ-PHIMTYICSA-N 1 2 377.304 2.171 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000555816395 651230780 /nfs/dbraw/zinc/23/07/80/651230780.db2.gz ZHWHJZXWODRUFD-VBNZEHGJSA-N 1 2 382.302 2.325 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000555816395 651230785 /nfs/dbraw/zinc/23/07/85/651230785.db2.gz ZHWHJZXWODRUFD-VBNZEHGJSA-N 1 2 382.302 2.325 20 0 GEADLO CCc1ccc(-c2csc(NC(=O)C(=O)NCCn3cc[nH+]c3)n2)s1 ZINC000555875993 651231793 /nfs/dbraw/zinc/23/17/93/651231793.db2.gz VGUQQHVEOISTRA-UHFFFAOYSA-N 1 2 375.479 2.385 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(Br)c4c3OCCC4)C[C@@H]21 ZINC000556462700 651244773 /nfs/dbraw/zinc/24/47/73/651244773.db2.gz ORWPFVYSURUMJQ-JKSUJKDBSA-N 1 2 395.297 2.319 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(Br)c4c3OCCC4)C[C@@H]21 ZINC000556462700 651244774 /nfs/dbraw/zinc/24/47/74/651244774.db2.gz ORWPFVYSURUMJQ-JKSUJKDBSA-N 1 2 395.297 2.319 20 0 GEADLO Cc1nnc([C@@H]2CC[N@@H+](CC(=O)N(C)Cc3ccccc3Br)C2)[nH]1 ZINC000556815021 651254000 /nfs/dbraw/zinc/25/40/00/651254000.db2.gz AUQHTFJECAGESC-CQSZACIVSA-N 1 2 392.301 2.324 20 0 GEADLO Cc1nnc([C@@H]2CC[N@H+](CC(=O)N(C)Cc3ccccc3Br)C2)[nH]1 ZINC000556815021 651254006 /nfs/dbraw/zinc/25/40/06/651254006.db2.gz AUQHTFJECAGESC-CQSZACIVSA-N 1 2 392.301 2.324 20 0 GEADLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC(=O)N(C)Cc3ccccc3Br)C2)n1 ZINC000556815021 651254011 /nfs/dbraw/zinc/25/40/11/651254011.db2.gz AUQHTFJECAGESC-CQSZACIVSA-N 1 2 392.301 2.324 20 0 GEADLO Cc1n[nH]c([C@@H]2CC[N@H+](CC(=O)N(C)Cc3ccccc3Br)C2)n1 ZINC000556815021 651254014 /nfs/dbraw/zinc/25/40/14/651254014.db2.gz AUQHTFJECAGESC-CQSZACIVSA-N 1 2 392.301 2.324 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)CCc2ccccc2Br)C[C@H](C)[N@H+]1C ZINC000559147623 651291699 /nfs/dbraw/zinc/29/16/99/651291699.db2.gz AQYKXVNNLVUPGA-BETUJISGSA-N 1 2 375.332 2.346 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)CCc2ccccc2Br)C[C@H](C)[N@@H+]1C ZINC000559147623 651291701 /nfs/dbraw/zinc/29/17/01/651291701.db2.gz AQYKXVNNLVUPGA-BETUJISGSA-N 1 2 375.332 2.346 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cc(Br)cc(N(C)C)c1)[NH+]1CCOCC1 ZINC000559581445 651297898 /nfs/dbraw/zinc/29/78/98/651297898.db2.gz FUSQUGRFQCUHFI-QWHCGFSZSA-N 1 2 384.318 2.354 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1c(C)ccc(Br)c1C ZINC000560339360 651307874 /nfs/dbraw/zinc/30/78/74/651307874.db2.gz QTXJUUUKYXGGQD-ZDUSSCGKSA-N 1 2 380.242 2.303 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1c(C)ccc(Br)c1C ZINC000560339360 651307875 /nfs/dbraw/zinc/30/78/75/651307875.db2.gz QTXJUUUKYXGGQD-ZDUSSCGKSA-N 1 2 380.242 2.303 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000560444489 651309870 /nfs/dbraw/zinc/30/98/70/651309870.db2.gz KLIRTCCQZPNMQC-QLFBSQMISA-N 1 2 387.307 2.248 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2sc(C)cc2OC(F)F)C1 ZINC000560644344 651313304 /nfs/dbraw/zinc/31/33/04/651313304.db2.gz BHDPXSTXCKQFJW-NSHDSACASA-N 1 2 376.425 2.273 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2sc(C)cc2OC(F)F)C1 ZINC000560644344 651313306 /nfs/dbraw/zinc/31/33/06/651313306.db2.gz BHDPXSTXCKQFJW-NSHDSACASA-N 1 2 376.425 2.273 20 0 GEADLO COc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1Br ZINC000560746901 651314247 /nfs/dbraw/zinc/31/42/47/651314247.db2.gz RMEZXCVUQJDDFK-TZMCWYRMSA-N 1 2 383.286 2.393 20 0 GEADLO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000560875092 651471092 /nfs/dbraw/zinc/47/10/92/651471092.db2.gz HWVZJKJDSQNIGF-LBPRGKRZSA-N 1 2 384.307 2.347 20 0 GEADLO COC(=O)[C@H]([NH3+])Cc1cn(Cc2nc(-c3ccccc3Cl)cs2)nn1 ZINC000603235217 651472976 /nfs/dbraw/zinc/47/29/76/651472976.db2.gz PPSRPEVPFTXLHK-CYBMUJFWSA-N 1 2 377.857 2.146 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000603297509 651478113 /nfs/dbraw/zinc/47/81/13/651478113.db2.gz ZOFZPMHKSNDXCH-UHFFFAOYSA-N 1 2 381.885 2.439 20 0 GEADLO COC(=O)CC[N@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000561915999 651485135 /nfs/dbraw/zinc/48/51/35/651485135.db2.gz FQDZULFVGNHYPV-UHFFFAOYSA-N 1 2 391.331 2.208 20 0 GEADLO COC(=O)CC[N@@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000561915999 651485138 /nfs/dbraw/zinc/48/51/38/651485138.db2.gz FQDZULFVGNHYPV-UHFFFAOYSA-N 1 2 391.331 2.208 20 0 GEADLO O=C(COC(=O)C1(C(F)(F)F)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000726227085 651488376 /nfs/dbraw/zinc/48/83/76/651488376.db2.gz YZKKZBSMWAFXBB-UHFFFAOYSA-N 1 2 376.400 2.278 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726260411 651488933 /nfs/dbraw/zinc/48/89/33/651488933.db2.gz ZUZJVFUYVUHJJP-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726260411 651488935 /nfs/dbraw/zinc/48/89/35/651488935.db2.gz ZUZJVFUYVUHJJP-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000562306746 651491415 /nfs/dbraw/zinc/49/14/15/651491415.db2.gz ZTBGCJCPDPOQCR-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO O=S(=O)(N[C@H]1CCn2cc[nH+]c2C1)c1cccc(OC(F)(F)F)c1F ZINC000562356689 651492770 /nfs/dbraw/zinc/49/27/70/651492770.db2.gz BYZBDMWOFULIEW-VIFPVBQESA-N 1 2 379.335 2.214 20 0 GEADLO O=C(c1ncc(I)s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000603438019 651493426 /nfs/dbraw/zinc/49/34/26/651493426.db2.gz VUYPFIGQZVXLFS-QMMMGPOBSA-N 1 2 388.234 2.491 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(CN2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000563209139 651516588 /nfs/dbraw/zinc/51/65/88/651516588.db2.gz APYCVBCDXLFMMT-UHFFFAOYSA-N 1 2 380.901 2.459 20 0 GEADLO COCCC[N@H+](CCOC)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000727422643 651519839 /nfs/dbraw/zinc/51/98/39/651519839.db2.gz SHNXPNMBIWJOAB-INIZCTEOSA-N 1 2 389.905 2.111 20 0 GEADLO COCCC[N@@H+](CCOC)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000727422643 651519842 /nfs/dbraw/zinc/51/98/42/651519842.db2.gz SHNXPNMBIWJOAB-INIZCTEOSA-N 1 2 389.905 2.111 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2OC)CC[N@@H+]1CCOC ZINC000605006402 651528263 /nfs/dbraw/zinc/52/82/63/651528263.db2.gz OWORXYCFVNXSTM-MRXNPFEDSA-N 1 2 390.933 2.221 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2OC)CC[N@H+]1CCOC ZINC000605006402 651528267 /nfs/dbraw/zinc/52/82/67/651528267.db2.gz OWORXYCFVNXSTM-MRXNPFEDSA-N 1 2 390.933 2.221 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CSc2ccccc21 ZINC000605171979 651530858 /nfs/dbraw/zinc/53/08/58/651530858.db2.gz BHHBOSFFCUTCAR-QAPCUYQASA-N 1 2 379.551 2.341 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1C(F)(F)F ZINC000563781781 651543548 /nfs/dbraw/zinc/54/35/48/651543548.db2.gz KVKFMUXHMGUSEC-UHFFFAOYSA-N 1 2 380.432 2.091 20 0 GEADLO C[N@@H+]1C[C@@H]2CCCN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)[C@@H]2C1 ZINC000644825998 651570749 /nfs/dbraw/zinc/57/07/49/651570749.db2.gz DOWOCZKJJSQEQK-XJKSGUPXSA-N 1 2 382.913 2.199 20 0 GEADLO C[N@H+]1C[C@@H]2CCCN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)[C@@H]2C1 ZINC000644825998 651570754 /nfs/dbraw/zinc/57/07/54/651570754.db2.gz DOWOCZKJJSQEQK-XJKSGUPXSA-N 1 2 382.913 2.199 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000645109867 651588546 /nfs/dbraw/zinc/58/85/46/651588546.db2.gz VXMYSQCEERDVQD-PHIMTYICSA-N 1 2 389.905 2.020 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000645109867 651588549 /nfs/dbraw/zinc/58/85/49/651588549.db2.gz VXMYSQCEERDVQD-PHIMTYICSA-N 1 2 389.905 2.020 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000645110038 651588583 /nfs/dbraw/zinc/58/85/83/651588583.db2.gz KRKYPGRVCKLBKK-PHIMTYICSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC000645110038 651588585 /nfs/dbraw/zinc/58/85/85/651588585.db2.gz KRKYPGRVCKLBKK-PHIMTYICSA-N 1 2 377.304 2.171 20 0 GEADLO COC(=O)Cc1cc(Br)ccc1S(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000565630638 651594234 /nfs/dbraw/zinc/59/42/34/651594234.db2.gz IUXMGVRUMPUULO-UHFFFAOYSA-N 1 2 399.266 2.091 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000608515727 651600637 /nfs/dbraw/zinc/60/06/37/651600637.db2.gz LZMFULLNLOTTJH-UHFFFAOYSA-N 1 2 383.221 2.320 20 0 GEADLO CC1CC[NH+](Cc2csc(NC(=O)CSCCS(C)(=O)=O)n2)CC1 ZINC000730466984 651601537 /nfs/dbraw/zinc/60/15/37/651601537.db2.gz SQSVFUSFEFCJSS-UHFFFAOYSA-N 1 2 391.584 2.091 20 0 GEADLO COc1ncc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1Cl ZINC000645453134 651605987 /nfs/dbraw/zinc/60/59/87/651605987.db2.gz DWJGMIFLCQKRKV-UHFFFAOYSA-N 1 2 382.873 2.217 20 0 GEADLO CCOCC[N@H+](CC)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000730802191 651608648 /nfs/dbraw/zinc/60/86/48/651608648.db2.gz JPWXCBJHNBGHFS-UHFFFAOYSA-N 1 2 398.257 2.060 20 0 GEADLO CCOCC[N@@H+](CC)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000730802191 651608653 /nfs/dbraw/zinc/60/86/53/651608653.db2.gz JPWXCBJHNBGHFS-UHFFFAOYSA-N 1 2 398.257 2.060 20 0 GEADLO C[C@@H](NC(=O)c1cccc(I)c1)[C@H](C)[NH+]1CCOCC1 ZINC000609190944 651612318 /nfs/dbraw/zinc/61/23/18/651612318.db2.gz OTBUPSMQVMMJDD-NEPJUHHUSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@@H](NC(=O)c1ccc(I)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000609191031 651612861 /nfs/dbraw/zinc/61/28/61/651612861.db2.gz UVZZTKQKCIXUNI-VXGBXAGGSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@@H](NC(=O)c1cccc(I)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000609190947 651612944 /nfs/dbraw/zinc/61/29/44/651612944.db2.gz OTBUPSMQVMMJDD-VXGBXAGGSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@@H](CC(=O)Nc1cnc(N2CCOCC2)c(Br)c1)n1cc[nH+]c1 ZINC000566858379 651615808 /nfs/dbraw/zinc/61/58/08/651615808.db2.gz NEQLZJQZMLHPTR-LBPRGKRZSA-N 1 2 394.273 2.467 20 0 GEADLO CCCCCC[C@H](C)NC(=O)C[NH+]1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000731355821 651624627 /nfs/dbraw/zinc/62/46/27/651624627.db2.gz JXWGJZACGGRHJH-INIZCTEOSA-N 1 2 375.579 2.207 20 0 GEADLO CC(C)C[C@H]1NC(=O)N(C[NH+]2CCC(n3cc(Br)cn3)CC2)C1=O ZINC000731662160 651630329 /nfs/dbraw/zinc/63/03/29/651630329.db2.gz KINLRARUKVDCCB-CQSZACIVSA-N 1 2 398.305 2.207 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C2CC2)C1 ZINC000732203216 651648478 /nfs/dbraw/zinc/64/84/78/651648478.db2.gz QEFYJWAHWBAZFA-KBPBESRZSA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C2CC2)C1 ZINC000732203216 651648482 /nfs/dbraw/zinc/64/84/82/651648482.db2.gz QEFYJWAHWBAZFA-KBPBESRZSA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C2CC2)C1 ZINC000732203217 651648582 /nfs/dbraw/zinc/64/85/82/651648582.db2.gz QEFYJWAHWBAZFA-KGLIPLIRSA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C2CC2)C1 ZINC000732203217 651648585 /nfs/dbraw/zinc/64/85/85/651648585.db2.gz QEFYJWAHWBAZFA-KGLIPLIRSA-N 1 2 394.320 2.385 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(Br)cc1 ZINC000568189255 651655525 /nfs/dbraw/zinc/65/55/25/651655525.db2.gz BPHXIVUWLVLYGR-IINYFYTJSA-N 1 2 380.242 2.381 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC000568189255 651655528 /nfs/dbraw/zinc/65/55/28/651655528.db2.gz BPHXIVUWLVLYGR-IINYFYTJSA-N 1 2 380.242 2.381 20 0 GEADLO O=C([C@H]1COCCO1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000646088876 651678253 /nfs/dbraw/zinc/67/82/53/651678253.db2.gz YBSPJGJCUJXHMJ-MRXNPFEDSA-N 1 2 394.269 2.090 20 0 GEADLO CCc1noc(NC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000568955442 651691436 /nfs/dbraw/zinc/69/14/36/651691436.db2.gz VONSVJIQSKNWHC-UHFFFAOYSA-N 1 2 393.245 2.137 20 0 GEADLO CC[N@@H+](Cc1cccc(Br)c1)CN1C(=O)N[C@](C)(COC)C1=O ZINC000733295077 651698848 /nfs/dbraw/zinc/69/88/48/651698848.db2.gz URASQGGMLMEVRI-MRXNPFEDSA-N 1 2 384.274 2.185 20 0 GEADLO CC[N@H+](Cc1cccc(Br)c1)CN1C(=O)N[C@](C)(COC)C1=O ZINC000733295077 651698850 /nfs/dbraw/zinc/69/88/50/651698850.db2.gz URASQGGMLMEVRI-MRXNPFEDSA-N 1 2 384.274 2.185 20 0 GEADLO CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)c2cccs2)CC1 ZINC000646572140 651702542 /nfs/dbraw/zinc/70/25/42/651702542.db2.gz WSYQBNDNTVCYSS-JKSUJKDBSA-N 1 2 384.567 2.462 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc(I)c2)C[C@@H]1C ZINC000611083832 651705545 /nfs/dbraw/zinc/70/55/45/651705545.db2.gz AKKKDPVLFAYIPS-NSHDSACASA-N 1 2 394.278 2.006 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cccc(I)c2)C[C@@H]1C ZINC000611083832 651705552 /nfs/dbraw/zinc/70/55/52/651705552.db2.gz AKKKDPVLFAYIPS-NSHDSACASA-N 1 2 394.278 2.006 20 0 GEADLO CCSc1cccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000733846880 651724750 /nfs/dbraw/zinc/72/47/50/651724750.db2.gz WYHYMSLHIAZBSA-UHFFFAOYSA-N 1 2 385.555 2.429 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000611501169 651726737 /nfs/dbraw/zinc/72/67/37/651726737.db2.gz WMDWZNVTLCEJIV-HSMVNMDESA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000611501169 651726741 /nfs/dbraw/zinc/72/67/41/651726741.db2.gz WMDWZNVTLCEJIV-HSMVNMDESA-N 1 2 392.279 2.386 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H](O)C3CCC3)[nH+]c12 ZINC000569929170 651734555 /nfs/dbraw/zinc/73/45/55/651734555.db2.gz QTDFCGHHZICZAB-OAHLLOKOSA-N 1 2 395.301 2.408 20 0 GEADLO CC1CC[NH+](Cc2csc(NC(=O)CSc3nccnc3N)n2)CC1 ZINC000569954453 651736280 /nfs/dbraw/zinc/73/62/80/651736280.db2.gz XRFZQNQDVNVUDA-UHFFFAOYSA-N 1 2 378.527 2.478 20 0 GEADLO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]Cc1cn(C)nn1 ZINC000611984210 651740667 /nfs/dbraw/zinc/74/06/67/651740667.db2.gz XVTNOVAAVWZGAI-UHFFFAOYSA-N 1 2 397.273 2.118 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000612417407 651755848 /nfs/dbraw/zinc/75/58/48/651755848.db2.gz BFEZFIDHWHUCEE-QJPTWQEYSA-N 1 2 384.263 2.387 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000570345758 651761916 /nfs/dbraw/zinc/76/19/16/651761916.db2.gz VAVACTXWHCSUJT-UWVGGRQHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000570345758 651761919 /nfs/dbraw/zinc/76/19/19/651761919.db2.gz VAVACTXWHCSUJT-UWVGGRQHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000570345757 651762025 /nfs/dbraw/zinc/76/20/25/651762025.db2.gz VAVACTXWHCSUJT-NXEZZACHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000570345757 651762026 /nfs/dbraw/zinc/76/20/26/651762026.db2.gz VAVACTXWHCSUJT-NXEZZACHSA-N 1 2 395.294 2.310 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000570460995 651768910 /nfs/dbraw/zinc/76/89/10/651768910.db2.gz ATINROVQNKDJJG-UHFFFAOYSA-N 1 2 383.905 2.175 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000570529149 651772814 /nfs/dbraw/zinc/77/28/14/651772814.db2.gz KKYSGLQPDCGCIA-UHFFFAOYSA-N 1 2 395.294 2.312 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000570529149 651772818 /nfs/dbraw/zinc/77/28/18/651772818.db2.gz KKYSGLQPDCGCIA-UHFFFAOYSA-N 1 2 395.294 2.312 20 0 GEADLO NC(=O)C1CCN(c2ncccc2C[NH2+]Cc2occc2Br)CC1 ZINC000735322860 651777663 /nfs/dbraw/zinc/77/76/63/651777663.db2.gz OBDHJLRABHGATA-UHFFFAOYSA-N 1 2 393.285 2.429 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1c2ccc(Br)cc2nn1C ZINC000648374931 651784960 /nfs/dbraw/zinc/78/49/60/651784960.db2.gz JYTYFDFMBUHXHD-LBPRGKRZSA-N 1 2 395.301 2.129 20 0 GEADLO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC000735655283 651789811 /nfs/dbraw/zinc/78/98/11/651789811.db2.gz CQWCAWHKCXYRCR-UHFFFAOYSA-N 1 2 380.853 2.432 20 0 GEADLO C[N@H+](Cc1cnc(CCc2ccccc2)s1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000571032142 651806933 /nfs/dbraw/zinc/80/69/33/651806933.db2.gz JDYXDGNJCIDTGU-MRXNPFEDSA-N 1 2 379.551 2.394 20 0 GEADLO C[N@@H+](Cc1cnc(CCc2ccccc2)s1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000571032142 651806936 /nfs/dbraw/zinc/80/69/36/651806936.db2.gz JDYXDGNJCIDTGU-MRXNPFEDSA-N 1 2 379.551 2.394 20 0 GEADLO O=C([C@H]1[C@@H]2COC[C@@H]21)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000614691832 651833004 /nfs/dbraw/zinc/83/30/04/651833004.db2.gz QBRDKFVDUFKHJO-NHAGDIPZSA-N 1 2 380.242 2.160 20 0 GEADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000649742928 651833325 /nfs/dbraw/zinc/83/33/25/651833325.db2.gz WTADILJWBPZGBN-UONOGXRCSA-N 1 2 382.258 2.005 20 0 GEADLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000649742928 651833344 /nfs/dbraw/zinc/83/33/44/651833344.db2.gz WTADILJWBPZGBN-UONOGXRCSA-N 1 2 382.258 2.005 20 0 GEADLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000649762089 651834502 /nfs/dbraw/zinc/83/45/02/651834502.db2.gz WTADILJWBPZGBN-ZIAGYGMSSA-N 1 2 382.258 2.005 20 0 GEADLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000649762089 651834511 /nfs/dbraw/zinc/83/45/11/651834511.db2.gz WTADILJWBPZGBN-ZIAGYGMSSA-N 1 2 382.258 2.005 20 0 GEADLO CN(C)[C@@H](C(=O)Nc1cnc2c(Br)cccn12)c1c[nH+]cn1C ZINC000614859863 651842332 /nfs/dbraw/zinc/84/23/32/651842332.db2.gz CBYCBMUKAKVPKW-CYBMUJFWSA-N 1 2 377.246 2.072 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000571656392 651846780 /nfs/dbraw/zinc/84/67/80/651846780.db2.gz AWPVTCLTACTSNN-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000571656392 651846784 /nfs/dbraw/zinc/84/67/84/651846784.db2.gz AWPVTCLTACTSNN-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615545894 651866825 /nfs/dbraw/zinc/86/68/25/651866825.db2.gz XSFJTQYASQVEMS-GOEBONIOSA-N 1 2 395.297 2.248 20 0 GEADLO Cc1csc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1I ZINC000615770649 651875649 /nfs/dbraw/zinc/87/56/49/651875649.db2.gz JCCBFLZPZPBAGI-NXEZZACHSA-N 1 2 394.278 2.110 20 0 GEADLO Cc1csc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1I ZINC000615770649 651875651 /nfs/dbraw/zinc/87/56/51/651875651.db2.gz JCCBFLZPZPBAGI-NXEZZACHSA-N 1 2 394.278 2.110 20 0 GEADLO C[C@H]1[C@@H](C)[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000572264947 651881910 /nfs/dbraw/zinc/88/19/10/651881910.db2.gz KQOXYOZZBABNGC-KLHDSHLOSA-N 1 2 384.567 2.240 20 0 GEADLO C[C@H]1[C@@H](C)[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000572264947 651881913 /nfs/dbraw/zinc/88/19/13/651881913.db2.gz KQOXYOZZBABNGC-KLHDSHLOSA-N 1 2 384.567 2.240 20 0 GEADLO CC(C)(C)n1cc(Br)c(C(=O)NC(C)(C)C[NH+]2CCOCC2)n1 ZINC000616287375 651894275 /nfs/dbraw/zinc/89/42/75/651894275.db2.gz XHKVSXGJSYKLEQ-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2csc(Br)c2C)CC1 ZINC000652998587 651931435 /nfs/dbraw/zinc/93/14/35/651931435.db2.gz SJTBTQRMDQIMBD-UHFFFAOYSA-N 1 2 391.331 2.240 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000573090240 651933955 /nfs/dbraw/zinc/93/39/55/651933955.db2.gz YEQLIIZRODDVBB-GFCCVEGCSA-N 1 2 385.686 2.425 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)s1 ZINC000617466944 651952359 /nfs/dbraw/zinc/95/23/59/651952359.db2.gz TZBJRLBNWLFXHS-ZDUSSCGKSA-N 1 2 385.555 2.194 20 0 GEADLO CCN(C(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000617552764 651956983 /nfs/dbraw/zinc/95/69/83/651956983.db2.gz VBFGKJKTDYBDST-GFCCVEGCSA-N 1 2 389.315 2.019 20 0 GEADLO CCN(C(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000617552764 651956986 /nfs/dbraw/zinc/95/69/86/651956986.db2.gz VBFGKJKTDYBDST-GFCCVEGCSA-N 1 2 389.315 2.019 20 0 GEADLO CCN(C(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000617552765 651957365 /nfs/dbraw/zinc/95/73/65/651957365.db2.gz VBFGKJKTDYBDST-LBPRGKRZSA-N 1 2 389.315 2.019 20 0 GEADLO CCN(C(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@H]1CC[N@@H+](C)C1 ZINC000617552765 651957370 /nfs/dbraw/zinc/95/73/70/651957370.db2.gz VBFGKJKTDYBDST-LBPRGKRZSA-N 1 2 389.315 2.019 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N2CCOc3cccc(Br)c3C2)c1 ZINC000654588640 651964658 /nfs/dbraw/zinc/96/46/58/651964658.db2.gz GPVUCEUFOLOSLJ-UHFFFAOYSA-N 1 2 379.258 2.329 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)[C@@H](C)CO1 ZINC000617720834 651966464 /nfs/dbraw/zinc/96/64/64/651966464.db2.gz IDHHJROJZOQWKB-NWDGAFQWSA-N 1 2 396.285 2.358 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)[C@@H](C)CO1 ZINC000617720834 651966466 /nfs/dbraw/zinc/96/64/66/651966466.db2.gz IDHHJROJZOQWKB-NWDGAFQWSA-N 1 2 396.285 2.358 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617723990 651967387 /nfs/dbraw/zinc/96/73/87/651967387.db2.gz UKMNMZJBFNKBTR-UWVGGRQHSA-N 1 2 382.814 2.089 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617723990 651967389 /nfs/dbraw/zinc/96/73/89/651967389.db2.gz UKMNMZJBFNKBTR-UWVGGRQHSA-N 1 2 382.814 2.089 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000617735687 651969218 /nfs/dbraw/zinc/96/92/18/651969218.db2.gz SQMVEEMOEFYERG-NEPJUHHUSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000617735687 651969223 /nfs/dbraw/zinc/96/92/23/651969223.db2.gz SQMVEEMOEFYERG-NEPJUHHUSA-N 1 2 399.285 2.059 20 0 GEADLO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C(F)F ZINC000574184613 652006723 /nfs/dbraw/zinc/00/67/23/652006723.db2.gz MNFVVFJIKSTCAE-CVEARBPZSA-N 1 2 375.485 2.113 20 0 GEADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cn(-c2ccccc2Br)nn1 ZINC000574637676 652033191 /nfs/dbraw/zinc/03/31/91/652033191.db2.gz CHLBYDCWXSAPPD-DOMZBBRYSA-N 1 2 381.274 2.002 20 0 GEADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cn(-c2ccccc2Br)nn1 ZINC000574637676 652033197 /nfs/dbraw/zinc/03/31/97/652033197.db2.gz CHLBYDCWXSAPPD-DOMZBBRYSA-N 1 2 381.274 2.002 20 0 GEADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cn(-c2ccccc2Br)nn1 ZINC000574637677 652033331 /nfs/dbraw/zinc/03/33/31/652033331.db2.gz CHLBYDCWXSAPPD-IUODEOHRSA-N 1 2 381.274 2.002 20 0 GEADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cn(-c2ccccc2Br)nn1 ZINC000574637677 652033338 /nfs/dbraw/zinc/03/33/38/652033338.db2.gz CHLBYDCWXSAPPD-IUODEOHRSA-N 1 2 381.274 2.002 20 0 GEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656954066 652074428 /nfs/dbraw/zinc/07/44/28/652074428.db2.gz YHVZHDLRBKBXLN-GHMZBOCLSA-N 1 2 379.295 2.442 20 0 GEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656954066 652074432 /nfs/dbraw/zinc/07/44/32/652074432.db2.gz YHVZHDLRBKBXLN-GHMZBOCLSA-N 1 2 379.295 2.442 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2csc(Br)c2)C1 ZINC000575754072 652075518 /nfs/dbraw/zinc/07/55/18/652075518.db2.gz IAXWRSSKBKEPCL-JTQLQIEISA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2csc(Br)c2)C1 ZINC000575754072 652075523 /nfs/dbraw/zinc/07/55/23/652075523.db2.gz IAXWRSSKBKEPCL-JTQLQIEISA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(Br)c2C)C1 ZINC000575789086 652077916 /nfs/dbraw/zinc/07/79/16/652077916.db2.gz SYQLBFVILSAFLJ-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(Br)c2C)C1 ZINC000575789086 652077923 /nfs/dbraw/zinc/07/79/23/652077923.db2.gz SYQLBFVILSAFLJ-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)C(C)(C)C1 ZINC000657022051 652089307 /nfs/dbraw/zinc/08/93/07/652089307.db2.gz DAZYOVHQAPLXQQ-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)C(C)(C)C1 ZINC000657022051 652089312 /nfs/dbraw/zinc/08/93/12/652089312.db2.gz DAZYOVHQAPLXQQ-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NCCc1[nH]cc[nH+]1 ZINC000746242284 652098474 /nfs/dbraw/zinc/09/84/74/652098474.db2.gz GXYVLSYLPMXJMZ-UHFFFAOYSA-N 1 2 375.479 2.010 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000746467455 652109074 /nfs/dbraw/zinc/10/90/74/652109074.db2.gz KRZICAMAADXTOQ-DEOSSOPVSA-N 1 2 392.352 2.318 20 0 GEADLO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000576578239 652128597 /nfs/dbraw/zinc/12/85/97/652128597.db2.gz WSFOPAPCKCHXKS-CYBMUJFWSA-N 1 2 392.297 2.183 20 0 GEADLO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000576578239 652128600 /nfs/dbraw/zinc/12/86/00/652128600.db2.gz WSFOPAPCKCHXKS-CYBMUJFWSA-N 1 2 392.297 2.183 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000576713825 652139341 /nfs/dbraw/zinc/13/93/41/652139341.db2.gz FADPFVPTVOEXQM-ZDUSSCGKSA-N 1 2 381.263 2.439 20 0 GEADLO COC(=O)c1cn(CCNc2cc[nH+]c3c(Br)ccc(F)c23)nn1 ZINC000576713086 652139407 /nfs/dbraw/zinc/13/94/07/652139407.db2.gz XYDOBBGJPGNXDI-UHFFFAOYSA-N 1 2 394.204 2.049 20 0 GEADLO COc1cc(C[N@H+](CCN2CCOCC2)CC2CC2)c(Br)cn1 ZINC000621322461 652149491 /nfs/dbraw/zinc/14/94/91/652149491.db2.gz WUHWQLRHPDFPKV-UHFFFAOYSA-N 1 2 384.318 2.397 20 0 GEADLO COc1cc(C[N@@H+](CCN2CCOCC2)CC2CC2)c(Br)cn1 ZINC000621322461 652149501 /nfs/dbraw/zinc/14/95/01/652149501.db2.gz WUHWQLRHPDFPKV-UHFFFAOYSA-N 1 2 384.318 2.397 20 0 GEADLO Cc1csc([C@@](O)(CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)C(F)(F)F)n1 ZINC000747400926 652162908 /nfs/dbraw/zinc/16/29/08/652162908.db2.gz PTLUZLSRJHTWCG-YGRLFVJLSA-N 1 2 376.404 2.241 20 0 GEADLO OCCNc1nc(NCc2ccc(Br)c(F)c2)[nH+]c2ccccc21 ZINC000621623322 652165703 /nfs/dbraw/zinc/16/57/03/652165703.db2.gz QXSLFFWWLNLSCB-UHFFFAOYSA-N 1 2 391.244 2.392 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2cc3c(cc2Br)OCO3)CCO1 ZINC000621822338 652167421 /nfs/dbraw/zinc/16/74/21/652167421.db2.gz VLPOEWUGKDFFSG-UHFFFAOYSA-N 1 2 385.258 2.018 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2cc3c(cc2Br)OCO3)CCO1 ZINC000621822338 652167432 /nfs/dbraw/zinc/16/74/32/652167432.db2.gz VLPOEWUGKDFFSG-UHFFFAOYSA-N 1 2 385.258 2.018 20 0 GEADLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000657602506 652178916 /nfs/dbraw/zinc/17/89/16/652178916.db2.gz JZMSXXIEYZEWMI-UKRRQHHQSA-N 1 2 378.475 2.458 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000657640633 652184312 /nfs/dbraw/zinc/18/43/12/652184312.db2.gz YVSRFZIGSWLICU-DGCLKSJQSA-N 1 2 379.931 2.189 20 0 GEADLO [NH3+][C@@H](C(=O)N[C@H]1CCN(c2ccccc2Br)C1)c1cscn1 ZINC000577489167 652192310 /nfs/dbraw/zinc/19/23/10/652192310.db2.gz NYIOROQLPSHPDX-IINYFYTJSA-N 1 2 381.299 2.301 20 0 GEADLO O=S(=O)(c1cc(Br)ccc1Cl)N1CC[NH2+]C[C@H]1C(F)F ZINC000577952721 652232327 /nfs/dbraw/zinc/23/23/27/652232327.db2.gz XTTPZGFJGHLLFJ-VIFPVBQESA-N 1 2 389.649 2.330 20 0 GEADLO [NH3+][C@@H](C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)c1cscn1 ZINC000578623245 652283955 /nfs/dbraw/zinc/28/39/55/652283955.db2.gz SGCDJWSRMQIZOZ-CQSZACIVSA-N 1 2 379.873 2.069 20 0 GEADLO CN(Cc1ccc(Br)o1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578656941 652286422 /nfs/dbraw/zinc/28/64/22/652286422.db2.gz SGAHEGUUUKGWQQ-UHFFFAOYSA-N 1 2 377.198 2.287 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2OC)C1 ZINC000578871701 652300938 /nfs/dbraw/zinc/30/09/38/652300938.db2.gz XJERIHKTEUIHPM-GFCCVEGCSA-N 1 2 399.285 2.073 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2OC)C1 ZINC000578871701 652300940 /nfs/dbraw/zinc/30/09/40/652300940.db2.gz XJERIHKTEUIHPM-GFCCVEGCSA-N 1 2 399.285 2.073 20 0 GEADLO COc1cc(Br)ccc1C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000579763954 652352826 /nfs/dbraw/zinc/35/28/26/652352826.db2.gz MWZAUJUEPCESMQ-UHFFFAOYSA-N 1 2 391.331 2.219 20 0 GEADLO NC(=O)[C@H](OC(=O)CCc1ccc(N)[nH+]c1)c1ccc(Br)cc1 ZINC000751459081 652353275 /nfs/dbraw/zinc/35/32/75/652353275.db2.gz RCTKJJODRKFOLO-OAHLLOKOSA-N 1 2 378.226 2.129 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000580073543 652365928 /nfs/dbraw/zinc/36/59/28/652365928.db2.gz NMQNQOLZAHJGMC-GFCCVEGCSA-N 1 2 385.686 2.425 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cnc3ccsc3c2)CC1 ZINC000580330214 652376220 /nfs/dbraw/zinc/37/62/20/652376220.db2.gz CJTAPXTZQGBQCG-CYBMUJFWSA-N 1 2 381.523 2.170 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cnc3ccsc3c2)CC1 ZINC000580330214 652376223 /nfs/dbraw/zinc/37/62/23/652376223.db2.gz CJTAPXTZQGBQCG-CYBMUJFWSA-N 1 2 381.523 2.170 20 0 GEADLO COC(=O)[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000580372509 652378311 /nfs/dbraw/zinc/37/83/11/652378311.db2.gz UEYVISMBKVGJSM-LBPRGKRZSA-N 1 2 379.258 2.415 20 0 GEADLO COC(=O)[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000580372509 652378313 /nfs/dbraw/zinc/37/83/13/652378313.db2.gz UEYVISMBKVGJSM-LBPRGKRZSA-N 1 2 379.258 2.415 20 0 GEADLO Cc1nn(C)c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1Br ZINC000580400696 652379421 /nfs/dbraw/zinc/37/94/21/652379421.db2.gz ROCOZVZADVNPLD-UHFFFAOYSA-N 1 2 397.239 2.382 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000626168810 652383319 /nfs/dbraw/zinc/38/33/19/652383319.db2.gz AELWGZRFVAUGEU-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000626168810 652383323 /nfs/dbraw/zinc/38/33/23/652383323.db2.gz AELWGZRFVAUGEU-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000626169681 652383853 /nfs/dbraw/zinc/38/38/53/652383853.db2.gz QEGPPQSRLTWLMB-UONOGXRCSA-N 1 2 387.933 2.237 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000626169681 652383855 /nfs/dbraw/zinc/38/38/55/652383855.db2.gz QEGPPQSRLTWLMB-UONOGXRCSA-N 1 2 387.933 2.237 20 0 GEADLO CCOC(=O)c1csc(C2CCN(C(=O)[C@H]([NH3+])c3cscn3)CC2)n1 ZINC000580769070 652391698 /nfs/dbraw/zinc/39/16/98/652391698.db2.gz PKPBYSLGBFCFSU-CYBMUJFWSA-N 1 2 380.495 2.182 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)NCC1(S(=O)(=O)CC)CC1)c1ccsc1 ZINC000660340756 652399125 /nfs/dbraw/zinc/39/91/25/652399125.db2.gz YMJCTALOGZAYSA-HNNXBMFYSA-N 1 2 387.571 2.398 20 0 GEADLO Cc1onc(N)c1S(=O)(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000581159585 652404266 /nfs/dbraw/zinc/40/42/66/652404266.db2.gz OGXCYQCZDLOEHJ-CQSZACIVSA-N 1 2 384.889 2.334 20 0 GEADLO O=C(NCc1ccc(F)cc1Br)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660692517 652410225 /nfs/dbraw/zinc/41/02/25/652410225.db2.gz YXOFXAPZOWFWLF-CQSZACIVSA-N 1 2 386.265 2.204 20 0 GEADLO C[C@](CO)([NH2+]Cc1coc(S(N)(=O)=O)c1)c1cc(Cl)cc(Cl)c1 ZINC000660742876 652413025 /nfs/dbraw/zinc/41/30/25/652413025.db2.gz YFXPBPARDRFEDZ-CQSZACIVSA-N 1 2 379.265 2.231 20 0 GEADLO Cn1c2ccccc2nc1CC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661188301 652422819 /nfs/dbraw/zinc/42/28/19/652422819.db2.gz YPPFEBAVQBMWBQ-FZMZJTMJSA-N 1 2 375.416 2.023 20 0 GEADLO Cn1c2ccccc2nc1CC[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661188301 652422824 /nfs/dbraw/zinc/42/28/24/652422824.db2.gz YPPFEBAVQBMWBQ-FZMZJTMJSA-N 1 2 375.416 2.023 20 0 GEADLO CO[C@@]1(CO)CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000661396934 652430585 /nfs/dbraw/zinc/43/05/85/652430585.db2.gz ODCRWMVKPVPMBA-INIZCTEOSA-N 1 2 378.803 2.353 20 0 GEADLO CO[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000661396934 652430588 /nfs/dbraw/zinc/43/05/88/652430588.db2.gz ODCRWMVKPVPMBA-INIZCTEOSA-N 1 2 378.803 2.353 20 0 GEADLO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)ccc1Br ZINC000627572069 652432977 /nfs/dbraw/zinc/43/29/77/652432977.db2.gz QSWFTJIQBRIATO-AWEZNQCLSA-N 1 2 383.286 2.395 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)s1 ZINC000582059157 652433314 /nfs/dbraw/zinc/43/33/14/652433314.db2.gz WFSWUVMQEAOMGS-CQSZACIVSA-N 1 2 388.555 2.016 20 0 GEADLO NC(=O)C1([NH2+]Cc2ncc(-c3cccc(Br)c3)o2)CCOCC1 ZINC000661593751 652434110 /nfs/dbraw/zinc/43/41/10/652434110.db2.gz FWRHMWNXNFAZQU-UHFFFAOYSA-N 1 2 380.242 2.228 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000662017070 652445403 /nfs/dbraw/zinc/44/54/03/652445403.db2.gz MXZQAEVLCXBHKP-SNVBAGLBSA-N 1 2 398.261 2.280 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000662017070 652445405 /nfs/dbraw/zinc/44/54/05/652445405.db2.gz MXZQAEVLCXBHKP-SNVBAGLBSA-N 1 2 398.261 2.280 20 0 GEADLO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCc2nccnc2C1 ZINC000662122238 652448509 /nfs/dbraw/zinc/44/85/09/652448509.db2.gz XWOUGELBTKYSGK-ZDUSSCGKSA-N 1 2 382.233 2.176 20 0 GEADLO O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCc2nccnc2C1 ZINC000662122238 652448513 /nfs/dbraw/zinc/44/85/13/652448513.db2.gz XWOUGELBTKYSGK-ZDUSSCGKSA-N 1 2 382.233 2.176 20 0 GEADLO C[C@H]1C[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@]1(C)CO ZINC000662143110 652449182 /nfs/dbraw/zinc/44/91/82/652449182.db2.gz PIVZCSABDHPARQ-SWLSCSKDSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@]1(C)CO ZINC000662143110 652449185 /nfs/dbraw/zinc/44/91/85/652449185.db2.gz PIVZCSABDHPARQ-SWLSCSKDSA-N 1 2 376.316 2.173 20 0 GEADLO COc1ccc2nc(C[N@@H+]3CCC[C@H](N4CCCS4(=O)=O)C3)sc2c1 ZINC000582524358 652453777 /nfs/dbraw/zinc/45/37/77/652453777.db2.gz BKCBDCPVAQBXCE-ZDUSSCGKSA-N 1 2 381.523 2.305 20 0 GEADLO COc1ccc2nc(C[N@H+]3CCC[C@H](N4CCCS4(=O)=O)C3)sc2c1 ZINC000582524358 652453781 /nfs/dbraw/zinc/45/37/81/652453781.db2.gz BKCBDCPVAQBXCE-ZDUSSCGKSA-N 1 2 381.523 2.305 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N(CCO)Cc1ccc(Br)s1 ZINC000582581003 652456115 /nfs/dbraw/zinc/45/61/15/652456115.db2.gz BNFXYFLMEKTUIN-LLVKDONJSA-N 1 2 399.314 2.226 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)CS(=O)(=O)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000628969599 652476864 /nfs/dbraw/zinc/47/68/64/652476864.db2.gz VLJLWXPOXNFBFI-CQSZACIVSA-N 1 2 379.309 2.290 20 0 GEADLO CC(C)(C)[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000583404532 652483538 /nfs/dbraw/zinc/48/35/38/652483538.db2.gz ZERDZAFDEQRTIM-HNNXBMFYSA-N 1 2 378.897 2.192 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ccsc1Br ZINC000583678286 652493852 /nfs/dbraw/zinc/49/38/52/652493852.db2.gz UUIQVYUVULUDIV-UHFFFAOYSA-N 1 2 389.315 2.122 20 0 GEADLO NC(=O)Cn1cc(C[N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000583857678 652500004 /nfs/dbraw/zinc/50/00/04/652500004.db2.gz YUMOFRUBYVCDQR-ZDUSSCGKSA-N 1 2 384.267 2.114 20 0 GEADLO NC(=O)Cn1cc(C[N@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000583857678 652500007 /nfs/dbraw/zinc/50/00/07/652500007.db2.gz YUMOFRUBYVCDQR-ZDUSSCGKSA-N 1 2 384.267 2.114 20 0 GEADLO Brc1ccc(-c2nc(CN[C@H](C3CC3)[C@H]3C[NH2+]CCO3)n[nH]2)cc1 ZINC000583865855 652500509 /nfs/dbraw/zinc/50/05/09/652500509.db2.gz JUBJASJBBGFOFZ-GDBMZVCRSA-N 1 2 392.301 2.091 20 0 GEADLO Brc1ccc(-c2n[nH]c(CN[C@H](C3CC3)[C@H]3C[NH2+]CCO3)n2)cc1 ZINC000583865855 652500512 /nfs/dbraw/zinc/50/05/12/652500512.db2.gz JUBJASJBBGFOFZ-GDBMZVCRSA-N 1 2 392.301 2.091 20 0 GEADLO O=S(=O)(CCc1cccc(Cl)c1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000583887721 652501516 /nfs/dbraw/zinc/50/15/16/652501516.db2.gz BNHNTLWYYQZDNS-ZWKOTPCHSA-N 1 2 386.945 2.445 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccc(Br)s2)[C@@H](C)CO1 ZINC000663543971 652503265 /nfs/dbraw/zinc/50/32/65/652503265.db2.gz AHOIATLEXLEEIW-NWDGAFQWSA-N 1 2 390.347 2.462 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccc(Br)s2)[C@@H](C)CO1 ZINC000663543971 652503267 /nfs/dbraw/zinc/50/32/67/652503267.db2.gz AHOIATLEXLEEIW-NWDGAFQWSA-N 1 2 390.347 2.462 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)NCCCCn2cc[nH+]c2)cc1Cl ZINC000584030026 652506530 /nfs/dbraw/zinc/50/65/30/652506530.db2.gz QBTIFASKYVSPEI-UHFFFAOYSA-N 1 2 384.889 2.220 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000663638389 652507288 /nfs/dbraw/zinc/50/72/88/652507288.db2.gz NKQYCOFQLBHMHT-WFASDCNBSA-N 1 2 390.311 2.389 20 0 GEADLO Cc1nc(N[C@H]2CCCN(c3ccn(C)n3)C2=O)c(Br)c(C)[nH+]1 ZINC000663669250 652507721 /nfs/dbraw/zinc/50/77/21/652507721.db2.gz VRKZAEWBPXWJMP-NSHDSACASA-N 1 2 379.262 2.197 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCc1ccc(Br)cc1 ZINC000664153899 652521560 /nfs/dbraw/zinc/52/15/60/652521560.db2.gz XRKNVOJREITCJT-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCc1ccc(Br)cc1 ZINC000664153899 652521564 /nfs/dbraw/zinc/52/15/64/652521564.db2.gz XRKNVOJREITCJT-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(O)c(Br)c2)[C@H](C)CO1 ZINC000664471409 652528569 /nfs/dbraw/zinc/52/85/69/652528569.db2.gz QVCCQIYLHLYQMP-VXGBXAGGSA-N 1 2 386.290 2.063 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(O)c(Br)c2)[C@H](C)CO1 ZINC000664471409 652528571 /nfs/dbraw/zinc/52/85/71/652528571.db2.gz QVCCQIYLHLYQMP-VXGBXAGGSA-N 1 2 386.290 2.063 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccsc2Br)[C@@H](C)CO1 ZINC000664837423 652540532 /nfs/dbraw/zinc/54/05/32/652540532.db2.gz HHQDKPUIYXWCFU-WDEREUQCSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccsc2Br)[C@@H](C)CO1 ZINC000664837423 652540534 /nfs/dbraw/zinc/54/05/34/652540534.db2.gz HHQDKPUIYXWCFU-WDEREUQCSA-N 1 2 376.320 2.419 20 0 GEADLO O=C(Cc1ccc(I)cc1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587051271 652544331 /nfs/dbraw/zinc/54/43/31/652544331.db2.gz IECKVZHVVLCHGS-CYBMUJFWSA-N 1 2 381.217 2.161 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@](C)(CO)C3CC3)[nH+]c12 ZINC000758694256 652552491 /nfs/dbraw/zinc/55/24/91/652552491.db2.gz DYYOFDNYGFYBJI-QGZVFWFLSA-N 1 2 395.301 2.408 20 0 GEADLO O=C(N1CC[C@@H]([NH+]2CCCC2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000589143297 652560666 /nfs/dbraw/zinc/56/06/66/652560666.db2.gz PJFLBXDZZLMWLK-OAHLLOKOSA-N 1 2 382.913 2.343 20 0 GEADLO CO[C@H](C)CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000666258563 652570199 /nfs/dbraw/zinc/57/01/99/652570199.db2.gz VPDRLIDTNOUAMH-GFCCVEGCSA-N 1 2 385.262 2.485 20 0 GEADLO O=S(=O)(NCc1cc[nH+]c(N2CCSCC2)c1)c1cc(F)cc(F)c1 ZINC000632680674 652574743 /nfs/dbraw/zinc/57/47/43/652574743.db2.gz UAGOUXYCHVWLPI-UHFFFAOYSA-N 1 2 385.461 2.392 20 0 GEADLO O=S(=O)(C[C@@H]1CCC1(F)F)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680432 652574749 /nfs/dbraw/zinc/57/47/49/652574749.db2.gz MAVXINQAJCLIGO-ZDUSSCGKSA-N 1 2 377.482 2.100 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000666449563 652577033 /nfs/dbraw/zinc/57/70/33/652577033.db2.gz FUMZUJOEVVAYQT-DFBGVHRSSA-N 1 2 379.258 2.323 20 0 GEADLO CNc1cc2c(nn1)CC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000592110087 652586793 /nfs/dbraw/zinc/58/67/93/652586793.db2.gz CGBWCSBQMSCANZ-CYBMUJFWSA-N 1 2 383.279 2.623 20 0 GEADLO CNc1cc2c(nn1)CC[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000592110087 652586798 /nfs/dbraw/zinc/58/67/98/652586798.db2.gz CGBWCSBQMSCANZ-CYBMUJFWSA-N 1 2 383.279 2.623 20 0 GEADLO COc1cccc(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1Cl ZINC000667043378 652589924 /nfs/dbraw/zinc/58/99/24/652589924.db2.gz BVUCFMBJBPYLLN-SFHVURJKSA-N 1 2 384.929 2.215 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000592203510 652591252 /nfs/dbraw/zinc/59/12/52/652591252.db2.gz QWYYOVSADPRVLU-IUODEOHRSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000592203510 652591258 /nfs/dbraw/zinc/59/12/58/652591258.db2.gz QWYYOVSADPRVLU-IUODEOHRSA-N 1 2 395.253 2.460 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000759949478 652592152 /nfs/dbraw/zinc/59/21/52/652592152.db2.gz CUJVNZYFKDMQLL-ZDUSSCGKSA-N 1 2 389.901 2.257 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000759949478 652592155 /nfs/dbraw/zinc/59/21/55/652592155.db2.gz CUJVNZYFKDMQLL-ZDUSSCGKSA-N 1 2 389.901 2.257 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000633320539 652593601 /nfs/dbraw/zinc/59/36/01/652593601.db2.gz LDRUMRXAZGSHQD-QKGUJMCYSA-N 1 2 391.309 2.314 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000633320539 652593605 /nfs/dbraw/zinc/59/36/05/652593605.db2.gz LDRUMRXAZGSHQD-QKGUJMCYSA-N 1 2 391.309 2.314 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)C(F)(F)F)n1 ZINC000667160003 652594910 /nfs/dbraw/zinc/59/49/10/652594910.db2.gz NPERFZPAXYYGBF-WOPDTQHZSA-N 1 2 380.436 2.463 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)C(F)(F)F)n1 ZINC000667160003 652594911 /nfs/dbraw/zinc/59/49/11/652594911.db2.gz NPERFZPAXYYGBF-WOPDTQHZSA-N 1 2 380.436 2.463 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N[C@H](CO)c1ccsc1 ZINC000633487810 652600530 /nfs/dbraw/zinc/60/05/30/652600530.db2.gz LHELIOAQIJGEHU-OAHLLOKOSA-N 1 2 378.523 2.229 20 0 GEADLO COC[C@@](C)(CO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000667934806 652623374 /nfs/dbraw/zinc/62/33/74/652623374.db2.gz VDCFPAQVMDNAPT-GFCCVEGCSA-N 1 2 383.080 2.404 20 0 GEADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761038468 652630774 /nfs/dbraw/zinc/63/07/74/652630774.db2.gz AZIUOUSALFEKPL-LBPRGKRZSA-N 1 2 377.432 2.097 20 0 GEADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761038468 652630778 /nfs/dbraw/zinc/63/07/78/652630778.db2.gz AZIUOUSALFEKPL-LBPRGKRZSA-N 1 2 377.432 2.097 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)C[C@H]1C ZINC000594464919 652658502 /nfs/dbraw/zinc/65/85/02/652658502.db2.gz BNXOWTJAHVWPCK-MNOVXSKESA-N 1 2 392.880 2.369 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)C[C@H]1C ZINC000594464919 652658512 /nfs/dbraw/zinc/65/85/12/652658512.db2.gz BNXOWTJAHVWPCK-MNOVXSKESA-N 1 2 392.880 2.369 20 0 GEADLO C[C@H]([C@@H]1C[N@H+](C)CCO1)N1C(=O)[C@H](c2cccc(Br)c2)N(C)C1=O ZINC000762166957 652678142 /nfs/dbraw/zinc/67/81/42/652678142.db2.gz FXSBQFKDIYHZGQ-UGFHNGPFSA-N 1 2 396.285 2.103 20 0 GEADLO C[C@H]([C@@H]1C[N@@H+](C)CCO1)N1C(=O)[C@H](c2cccc(Br)c2)N(C)C1=O ZINC000762166957 652678156 /nfs/dbraw/zinc/67/81/56/652678156.db2.gz FXSBQFKDIYHZGQ-UGFHNGPFSA-N 1 2 396.285 2.103 20 0 GEADLO C[C@H](CNC(=O)c1cc(Br)cc2c1OCCO2)Cn1cc[nH+]c1 ZINC000669019826 652681809 /nfs/dbraw/zinc/68/18/09/652681809.db2.gz YTWFVQVMRJMBPG-LLVKDONJSA-N 1 2 380.242 2.483 20 0 GEADLO O=C(Cc1ccc(Br)cc1F)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000669277700 652689241 /nfs/dbraw/zinc/68/92/41/652689241.db2.gz YHALYLHBMDKZNT-OAHLLOKOSA-N 1 2 385.277 2.454 20 0 GEADLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1cc(Cl)nc(Cl)c1 ZINC000762621665 652707107 /nfs/dbraw/zinc/70/71/07/652707107.db2.gz IPTWEIJPUYSYFM-GFCCVEGCSA-N 1 2 375.300 2.371 20 0 GEADLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1cc(Cl)nc(Cl)c1 ZINC000762621665 652707110 /nfs/dbraw/zinc/70/71/10/652707110.db2.gz IPTWEIJPUYSYFM-GFCCVEGCSA-N 1 2 375.300 2.371 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1Br ZINC000635459808 652731463 /nfs/dbraw/zinc/73/14/63/652731463.db2.gz DXPXOSKZGFJOBG-VXGBXAGGSA-N 1 2 377.242 2.339 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1Br ZINC000635459808 652731468 /nfs/dbraw/zinc/73/14/68/652731468.db2.gz DXPXOSKZGFJOBG-VXGBXAGGSA-N 1 2 377.242 2.339 20 0 GEADLO COC(=O)CCN1CC[C@@H]([N@@H+]2Cc3ccc(C)c(Br)c3C2)C1=O ZINC000595873385 652740389 /nfs/dbraw/zinc/74/03/89/652740389.db2.gz GITTTYAHKXJNTB-CQSZACIVSA-N 1 2 381.270 2.237 20 0 GEADLO COC(=O)CCN1CC[C@@H]([N@H+]2Cc3ccc(C)c(Br)c3C2)C1=O ZINC000595873385 652740395 /nfs/dbraw/zinc/74/03/95/652740395.db2.gz GITTTYAHKXJNTB-CQSZACIVSA-N 1 2 381.270 2.237 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000596993899 652767063 /nfs/dbraw/zinc/76/70/63/652767063.db2.gz XVOBTOIWNGWVEL-SWLSCSKDSA-N 1 2 392.253 2.239 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cccc(I)c2)[C@@H](C)CO1 ZINC000597996353 652795704 /nfs/dbraw/zinc/79/57/04/652795704.db2.gz ITOBUSRWVRAXJQ-RYUDHWBXSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cccc(I)c2)[C@@H](C)CO1 ZINC000597996353 652795710 /nfs/dbraw/zinc/79/57/10/652795710.db2.gz ITOBUSRWVRAXJQ-RYUDHWBXSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCc3cc(Br)cc(F)c32)CCO1 ZINC000764361516 652797830 /nfs/dbraw/zinc/79/78/30/652797830.db2.gz RAVFPVWBJKBTJI-NSHDSACASA-N 1 2 386.265 2.381 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCc3cc(Br)cc(F)c32)CCO1 ZINC000764361516 652797838 /nfs/dbraw/zinc/79/78/38/652797838.db2.gz RAVFPVWBJKBTJI-NSHDSACASA-N 1 2 386.265 2.381 20 0 GEADLO C[N@H+](Cc1cc2c(c(Br)c1)OCO2)CC(C)(C)S(C)(=O)=O ZINC000764455496 652801106 /nfs/dbraw/zinc/80/11/06/652801106.db2.gz DIAUMLFJFZWEQB-UHFFFAOYSA-N 1 2 378.288 2.433 20 0 GEADLO C[N@@H+](Cc1cc2c(c(Br)c1)OCO2)CC(C)(C)S(C)(=O)=O ZINC000764455496 652801108 /nfs/dbraw/zinc/80/11/08/652801108.db2.gz DIAUMLFJFZWEQB-UHFFFAOYSA-N 1 2 378.288 2.433 20 0 GEADLO COC(=O)[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccccc1Br ZINC000598187829 652803867 /nfs/dbraw/zinc/80/38/67/652803867.db2.gz WNAALRKDVRZSOJ-OAHLLOKOSA-N 1 2 380.242 2.146 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000636631419 652813202 /nfs/dbraw/zinc/81/32/02/652813202.db2.gz VBMUJCITYYXEPP-SMDDNHRTSA-N 1 2 377.242 2.393 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(C(=O)CCn1cc[nH+]c1)C2 ZINC000598543535 652820192 /nfs/dbraw/zinc/82/01/92/652820192.db2.gz JIVGUPJCPADFDF-UHFFFAOYSA-N 1 2 384.255 2.426 20 0 GEADLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(OC)ncc1Br ZINC000598608799 652824141 /nfs/dbraw/zinc/82/41/41/652824141.db2.gz PTWHEBRHKMXMNX-STQMWFEESA-N 1 2 387.274 2.395 20 0 GEADLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(OC)ncc1Br ZINC000598608799 652824144 /nfs/dbraw/zinc/82/41/44/652824144.db2.gz PTWHEBRHKMXMNX-STQMWFEESA-N 1 2 387.274 2.395 20 0 GEADLO COc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc(OC)c1Br ZINC000672155862 652828409 /nfs/dbraw/zinc/82/84/09/652828409.db2.gz HNQQRVWWTYEHBR-LLVKDONJSA-N 1 2 380.242 2.408 20 0 GEADLO Cc1cc(I)cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1C ZINC000598943325 652841403 /nfs/dbraw/zinc/84/14/03/652841403.db2.gz GWLHRRFHYHQDHL-GFCCVEGCSA-N 1 2 381.217 2.459 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(F)c(I)c1 ZINC000598949013 652842242 /nfs/dbraw/zinc/84/22/42/652842242.db2.gz RVQDOAPMWIKFCF-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@H]1C ZINC000765741794 652851042 /nfs/dbraw/zinc/85/10/42/652851042.db2.gz OLHUFVPMEMLNLK-CHWSQXEVSA-N 1 2 387.933 2.145 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@H]1C ZINC000765741794 652851045 /nfs/dbraw/zinc/85/10/45/652851045.db2.gz OLHUFVPMEMLNLK-CHWSQXEVSA-N 1 2 387.933 2.145 20 0 GEADLO CN(CCCn1cc[nH+]c1)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000766091952 652866409 /nfs/dbraw/zinc/86/64/09/652866409.db2.gz DTAUUSZKURFMOX-UHFFFAOYSA-N 1 2 377.242 2.221 20 0 GEADLO Cc1cc(Br)ccc1C[N@H+](C)CN1C(=O)NC2(CCOCC2)C1=O ZINC000766090035 652866445 /nfs/dbraw/zinc/86/64/45/652866445.db2.gz UTDHILSRCRCQRN-UHFFFAOYSA-N 1 2 396.285 2.248 20 0 GEADLO Cc1cc(Br)ccc1C[N@@H+](C)CN1C(=O)NC2(CCOCC2)C1=O ZINC000766090035 652866447 /nfs/dbraw/zinc/86/64/47/652866447.db2.gz UTDHILSRCRCQRN-UHFFFAOYSA-N 1 2 396.285 2.248 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599437193 652871498 /nfs/dbraw/zinc/87/14/98/652871498.db2.gz PBOFXZUDXWBERX-XHDPSFHLSA-N 1 2 386.876 2.422 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599437193 652871502 /nfs/dbraw/zinc/87/15/02/652871502.db2.gz PBOFXZUDXWBERX-XHDPSFHLSA-N 1 2 386.876 2.422 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000637868790 652876245 /nfs/dbraw/zinc/87/62/45/652876245.db2.gz DSBDVWJHSLSKRB-ZDUSSCGKSA-N 1 2 376.881 2.355 20 0 GEADLO Cc1cccn2cc(CCNC(=O)NCc3n[nH]cc3Br)[nH+]c12 ZINC000673776455 652876414 /nfs/dbraw/zinc/87/64/14/652876414.db2.gz HMEHKGKYYBJBOY-UHFFFAOYSA-N 1 2 377.246 2.170 20 0 GEADLO Brc1cnc2c(CN3CC[NH+](Cc4ccco4)CC3)cnn2c1 ZINC000637879008 652876573 /nfs/dbraw/zinc/87/65/73/652876573.db2.gz QOLWFXXDNWMENU-UHFFFAOYSA-N 1 2 376.258 2.403 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@H]2CCC[C@@H]21 ZINC000599654464 652882348 /nfs/dbraw/zinc/88/23/48/652882348.db2.gz MHRUSTNWNVHKJU-OAGGEKHMSA-N 1 2 386.901 2.151 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)[C@H]2CCC[C@@H]21 ZINC000599654464 652882352 /nfs/dbraw/zinc/88/23/52/652882352.db2.gz MHRUSTNWNVHKJU-OAGGEKHMSA-N 1 2 386.901 2.151 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C)cc(Br)c1F ZINC000599712593 652884871 /nfs/dbraw/zinc/88/48/71/652884871.db2.gz UYNQLFITKQWUSD-LBPRGKRZSA-N 1 2 384.205 2.134 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C)cc(Br)c1F ZINC000599712593 652884874 /nfs/dbraw/zinc/88/48/74/652884874.db2.gz UYNQLFITKQWUSD-LBPRGKRZSA-N 1 2 384.205 2.134 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000674368512 652896918 /nfs/dbraw/zinc/89/69/18/652896918.db2.gz OXNZFGKFOVVDKQ-LBPRGKRZSA-N 1 2 386.876 2.459 20 0 GEADLO O=C(NCCS(=O)(=O)CC1CC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000766846559 652900371 /nfs/dbraw/zinc/90/03/71/652900371.db2.gz PZJSIKJQDBCFQX-OAHLLOKOSA-N 1 2 385.555 2.009 20 0 GEADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)s1 ZINC000639058706 652918370 /nfs/dbraw/zinc/91/83/70/652918370.db2.gz DYNHOMBTEAISTJ-ZETCQYMHSA-N 1 2 391.316 2.107 20 0 GEADLO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)c1ccc(Br)cn1 ZINC000639124881 652920545 /nfs/dbraw/zinc/92/05/45/652920545.db2.gz NJHSTEBISJYKMO-MRVPVSSYSA-N 1 2 376.301 2.404 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCOc3c(Br)cccc32)o1 ZINC000639154660 652923685 /nfs/dbraw/zinc/92/36/85/652923685.db2.gz MUIWYBWEGJZNBJ-LBPRGKRZSA-N 1 2 387.255 2.303 20 0 GEADLO OCCC[N@H+](Cc1cnn2cc(Br)cnc12)Cc1ccccn1 ZINC000639173656 652925433 /nfs/dbraw/zinc/92/54/33/652925433.db2.gz GINSTEXBYRKWTQ-UHFFFAOYSA-N 1 2 376.258 2.271 20 0 GEADLO OCCC[N@@H+](Cc1cnn2cc(Br)cnc12)Cc1ccccn1 ZINC000639173656 652925439 /nfs/dbraw/zinc/92/54/39/652925439.db2.gz GINSTEXBYRKWTQ-UHFFFAOYSA-N 1 2 376.258 2.271 20 0 GEADLO CS(=O)(=O)C1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000675449348 652926283 /nfs/dbraw/zinc/92/62/83/652926283.db2.gz JUVMUSGSQSZSKK-UHFFFAOYSA-N 1 2 386.543 2.170 20 0 GEADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639248821 652927861 /nfs/dbraw/zinc/92/78/61/652927861.db2.gz PXCAZHWZBRNABC-JTQLQIEISA-N 1 2 387.303 2.164 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)s1 ZINC000675584156 652933497 /nfs/dbraw/zinc/93/34/97/652933497.db2.gz SWLQYZORHAZLMS-NSHDSACASA-N 1 2 378.479 2.071 20 0 GEADLO CC[C@H]([NH2+]Cc1c(Br)cnn1C)c1cccc(S(N)(=O)=O)c1 ZINC000639564701 652942040 /nfs/dbraw/zinc/94/20/40/652942040.db2.gz OWULFOBZGCQTCS-ZDUSSCGKSA-N 1 2 387.303 2.071 20 0 GEADLO Cn1[nH]c([C@@H]2CCC[N@@H+]2C[C@H](O)COc2cc(Cl)cc(Cl)c2)nc1=N ZINC000639625347 652945072 /nfs/dbraw/zinc/94/50/72/652945072.db2.gz TYJKXBFPYAJXTO-JSGCOSHPSA-N 1 2 386.283 2.111 20 0 GEADLO Cn1[nH]c([C@@H]2CCC[N@H+]2C[C@H](O)COc2cc(Cl)cc(Cl)c2)nc1=N ZINC000639625347 652945074 /nfs/dbraw/zinc/94/50/74/652945074.db2.gz TYJKXBFPYAJXTO-JSGCOSHPSA-N 1 2 386.283 2.111 20 0 GEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3cccnc3Cl)CC2)cc1 ZINC000767746335 652948163 /nfs/dbraw/zinc/94/81/63/652948163.db2.gz HZSHTYVRKAMXRJ-UHFFFAOYSA-N 1 2 380.901 2.429 20 0 GEADLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639774256 652954047 /nfs/dbraw/zinc/95/40/47/652954047.db2.gz TYFCZGHYWUUKGW-AAEUAGOBSA-N 1 2 392.257 2.114 20 0 GEADLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639774256 652954054 /nfs/dbraw/zinc/95/40/54/652954054.db2.gz TYFCZGHYWUUKGW-AAEUAGOBSA-N 1 2 392.257 2.114 20 0 GEADLO Brc1cncc(O[C@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)C2)c1 ZINC000639777813 652955255 /nfs/dbraw/zinc/95/52/55/652955255.db2.gz XZGDALVGTJYBSD-HNNXBMFYSA-N 1 2 378.274 2.499 20 0 GEADLO Brc1cncc(O[C@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)C2)c1 ZINC000639777813 652955261 /nfs/dbraw/zinc/95/52/61/652955261.db2.gz XZGDALVGTJYBSD-HNNXBMFYSA-N 1 2 378.274 2.499 20 0 GEADLO CC[N@H+](Cc1csc(CC(=O)N(C)C)n1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639819286 652956833 /nfs/dbraw/zinc/95/68/33/652956833.db2.gz HFKFGUSRHNLZCL-CYBMUJFWSA-N 1 2 378.464 2.232 20 0 GEADLO CC[N@@H+](Cc1csc(CC(=O)N(C)C)n1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639819286 652956842 /nfs/dbraw/zinc/95/68/42/652956842.db2.gz HFKFGUSRHNLZCL-CYBMUJFWSA-N 1 2 378.464 2.232 20 0 GEADLO C[N@@H+](CC(=O)Nc1nncs1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639918594 653088814 /nfs/dbraw/zinc/08/88/14/653088814.db2.gz MTVYWJILMLTSHA-LLVKDONJSA-N 1 2 391.280 2.155 20 0 GEADLO C[N@H+](CC(=O)Nc1nncs1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639918594 653088816 /nfs/dbraw/zinc/08/88/16/653088816.db2.gz MTVYWJILMLTSHA-LLVKDONJSA-N 1 2 391.280 2.155 20 0 GEADLO COc1cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)ncc1Br ZINC000639961047 653089848 /nfs/dbraw/zinc/08/98/48/653089848.db2.gz AVHHBCYRFIYYMI-NEPJUHHUSA-N 1 2 399.289 2.180 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000805469771 653118425 /nfs/dbraw/zinc/11/84/25/653118425.db2.gz RAUDJCZHJPVYDQ-CABCVRRESA-N 1 2 387.263 2.363 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000805469771 653118428 /nfs/dbraw/zinc/11/84/28/653118428.db2.gz RAUDJCZHJPVYDQ-CABCVRRESA-N 1 2 387.263 2.363 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)C1 ZINC000805476788 653119187 /nfs/dbraw/zinc/11/91/87/653119187.db2.gz ZQDVQNQAUNAGKC-ZIAGYGMSSA-N 1 2 376.236 2.471 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)C1 ZINC000805476788 653119191 /nfs/dbraw/zinc/11/91/91/653119191.db2.gz ZQDVQNQAUNAGKC-ZIAGYGMSSA-N 1 2 376.236 2.471 20 0 GEADLO Cc1nc(CN2CC[NH+](Cc3cccc(NS(C)(=O)=O)c3)CC2)cs1 ZINC000678130076 653127754 /nfs/dbraw/zinc/12/77/54/653127754.db2.gz MASLAOMLUBTKET-UHFFFAOYSA-N 1 2 380.539 2.141 20 0 GEADLO CC(=O)N[C@@H](CC(=O)OCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000771872512 653130626 /nfs/dbraw/zinc/13/06/26/653130626.db2.gz BWKGUMCOCDFFHI-HNNXBMFYSA-N 1 2 380.242 2.456 20 0 GEADLO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2occc2Br)s1 ZINC000772001682 653137211 /nfs/dbraw/zinc/13/72/11/653137211.db2.gz HBKGLKJTOVZSTF-UHFFFAOYSA-N 1 2 379.301 2.480 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772048856 653138325 /nfs/dbraw/zinc/13/83/25/653138325.db2.gz MREKLICPPGAYPH-LLVKDONJSA-N 1 2 376.931 2.340 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772048856 653138327 /nfs/dbraw/zinc/13/83/27/653138327.db2.gz MREKLICPPGAYPH-LLVKDONJSA-N 1 2 376.931 2.340 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1Br ZINC000602182860 653155032 /nfs/dbraw/zinc/15/50/32/653155032.db2.gz QOSPBNNVLZTXHN-JTNHKYCSSA-N 1 2 378.226 2.306 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1Br ZINC000602182860 653155043 /nfs/dbraw/zinc/15/50/43/653155043.db2.gz QOSPBNNVLZTXHN-JTNHKYCSSA-N 1 2 378.226 2.306 20 0 GEADLO Cc1cc(N2CCC[C@H]([NH2+]Cc3cnn(C)n3)C2=O)ccc1Br ZINC000806619778 653170754 /nfs/dbraw/zinc/17/07/54/653170754.db2.gz WJPNHKKTKXSJDH-HNNXBMFYSA-N 1 2 378.274 2.171 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(F)c2Cl)CC1 ZINC000806771747 653174757 /nfs/dbraw/zinc/17/47/57/653174757.db2.gz GNGKSYCLAMFRCK-UHFFFAOYSA-N 1 2 377.869 2.110 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000641289038 653179338 /nfs/dbraw/zinc/17/93/38/653179338.db2.gz IKYQSTQOTRYPQZ-NXEZZACHSA-N 1 2 379.326 2.276 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc(C)cc1Br ZINC000807282855 653189031 /nfs/dbraw/zinc/18/90/31/653189031.db2.gz CAYRISLTJIJYOS-HNNXBMFYSA-N 1 2 394.269 2.245 20 0 GEADLO O=S(=O)(c1ccc(CCNc2cc(CO)cc[nH+]2)s1)N1CCCCC1 ZINC000641401557 653199592 /nfs/dbraw/zinc/19/95/92/653199592.db2.gz KDKGYKCIZDIILD-UHFFFAOYSA-N 1 2 381.523 2.465 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCCOCc1ccc(Cl)cc1Cl ZINC000641411410 653201560 /nfs/dbraw/zinc/20/15/60/653201560.db2.gz GPJVJWHSPSBHAU-UHFFFAOYSA-N 1 2 378.281 2.326 20 0 GEADLO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2c(Br)cnn2C)C1 ZINC000602735471 653203351 /nfs/dbraw/zinc/20/33/51/653203351.db2.gz KICYGIKIPMHMSD-MRXNPFEDSA-N 1 2 388.306 2.363 20 0 GEADLO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+](Cc2c(Br)cnn2C)C1 ZINC000602735471 653203357 /nfs/dbraw/zinc/20/33/57/653203357.db2.gz KICYGIKIPMHMSD-MRXNPFEDSA-N 1 2 388.306 2.363 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602802188 653207553 /nfs/dbraw/zinc/20/75/53/653207553.db2.gz OYMWYMZKJPCPQR-FMKPAKJESA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602802188 653207560 /nfs/dbraw/zinc/20/75/60/653207560.db2.gz OYMWYMZKJPCPQR-FMKPAKJESA-N 1 2 392.279 2.386 20 0 GEADLO CCC(CC)[C@@H](CNc1cnn(C)c(=O)c1Br)[NH+]1CCOCC1 ZINC000602846804 653209885 /nfs/dbraw/zinc/20/98/85/653209885.db2.gz ZSDHUBGEBBKDRM-CQSZACIVSA-N 1 2 387.322 2.092 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)C[C@H]1C ZINC000682485664 653213140 /nfs/dbraw/zinc/21/31/40/653213140.db2.gz SYBMVNKSXDFDGC-KGLIPLIRSA-N 1 2 390.933 2.468 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)C[C@H]1C ZINC000682485664 653213145 /nfs/dbraw/zinc/21/31/45/653213145.db2.gz SYBMVNKSXDFDGC-KGLIPLIRSA-N 1 2 390.933 2.468 20 0 GEADLO C[C@@H]1CO[C@@H](C(F)(F)F)CN1S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641489277 653213065 /nfs/dbraw/zinc/21/30/65/653213065.db2.gz MVFWONZPKYSJRI-IAQYHMDHSA-N 1 2 378.416 2.015 20 0 GEADLO C[C@@H]1CO[C@@H](C(F)(F)F)CN1S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641489277 653213076 /nfs/dbraw/zinc/21/30/76/653213076.db2.gz MVFWONZPKYSJRI-IAQYHMDHSA-N 1 2 378.416 2.015 20 0 GEADLO COc1cc(/C=C/C(=O)NCCc2c[nH+]cn2C)cc(Br)c1O ZINC000773828753 653214646 /nfs/dbraw/zinc/21/46/46/653214646.db2.gz DXAACJNINBZAJT-ONEGZZNKSA-N 1 2 380.242 2.269 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)cnc2Cl)CC[N@H+]1C ZINC000770722513 653222609 /nfs/dbraw/zinc/22/26/09/653222609.db2.gz GIQFGWBPFUMMIA-BDAKNGLRSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)cnc2Cl)CC[N@@H+]1C ZINC000770722513 653222620 /nfs/dbraw/zinc/22/26/20/653222620.db2.gz GIQFGWBPFUMMIA-BDAKNGLRSA-N 1 2 382.711 2.211 20 0 GEADLO C[N@H+](CCn1cc(Br)cn1)CN1CCN(c2ccccc2)C1=O ZINC000808244230 653223799 /nfs/dbraw/zinc/22/37/99/653223799.db2.gz ZBVLCCTWEJTVDV-UHFFFAOYSA-N 1 2 378.274 2.477 20 0 GEADLO C[N@@H+](CCn1cc(Br)cn1)CN1CCN(c2ccccc2)C1=O ZINC000808244230 653223807 /nfs/dbraw/zinc/22/38/07/653223807.db2.gz ZBVLCCTWEJTVDV-UHFFFAOYSA-N 1 2 378.274 2.477 20 0 GEADLO O=C([C@H]1CCc2[nH+]ccn2C1)N(CCO)Cc1cc(Br)cs1 ZINC000683183122 653229827 /nfs/dbraw/zinc/22/98/27/653229827.db2.gz SXXXCDFCQOKCKV-NSHDSACASA-N 1 2 384.299 2.291 20 0 GEADLO CC(C)C[NH+]1CCN(c2c(F)cc(S(N)(=O)=O)cc2Br)CC1 ZINC000683186095 653230243 /nfs/dbraw/zinc/23/02/43/653230243.db2.gz PMYPFJUTMHNOOY-UHFFFAOYSA-N 1 2 394.310 2.014 20 0 GEADLO O=C(N1CC[NH+](CCO)CC1)C1(c2cccc(Br)c2)CCCC1 ZINC000641891251 653235681 /nfs/dbraw/zinc/23/56/81/653235681.db2.gz HNGKQYXZAZXAAC-UHFFFAOYSA-N 1 2 381.314 2.397 20 0 GEADLO C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1cccc(NS(C)(=O)=O)c1 ZINC000683767484 653240818 /nfs/dbraw/zinc/24/08/18/653240818.db2.gz USLBJNYHJZVXAZ-SNVBAGLBSA-N 1 2 387.303 2.405 20 0 GEADLO O=S1(=O)CC[C@H](C[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000683992342 653249564 /nfs/dbraw/zinc/24/95/64/653249564.db2.gz JCKIDSHPRADETE-OAHLLOKOSA-N 1 2 376.444 2.258 20 0 GEADLO C[C@@H](N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000684554755 653275983 /nfs/dbraw/zinc/27/59/83/653275983.db2.gz PFUSDJZTCAOLBZ-RBZYPMLTSA-N 1 2 396.340 2.011 20 0 GEADLO C[C@@H](N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000684554755 653275993 /nfs/dbraw/zinc/27/59/93/653275993.db2.gz PFUSDJZTCAOLBZ-RBZYPMLTSA-N 1 2 396.340 2.011 20 0 GEADLO O=C(OCC(COC(=O)c1cscn1)[NH+]1CCCCC1)c1cscn1 ZINC000857041447 653279322 /nfs/dbraw/zinc/27/93/22/653279322.db2.gz PVOFWXVGHWREMH-UHFFFAOYSA-N 1 2 381.479 2.468 20 0 GEADLO C[C@H]1CCN(C(=O)c2c(Br)nc3n2CCOC3)C[C@@H]1n1cc[nH+]c1 ZINC000857151498 653290869 /nfs/dbraw/zinc/29/08/69/653290869.db2.gz JOMDMLFRQQEZTN-RYUDHWBXSA-N 1 2 394.273 2.096 20 0 GEADLO COCC[N@H+](Cc1sc2nc(C)nc(C)c2c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000809763506 653295076 /nfs/dbraw/zinc/29/50/76/653295076.db2.gz OAAHHFHFIHDCPZ-CQSZACIVSA-N 1 2 383.539 2.252 20 0 GEADLO COCC[N@@H+](Cc1sc2nc(C)nc(C)c2c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000809763506 653295082 /nfs/dbraw/zinc/29/50/82/653295082.db2.gz OAAHHFHFIHDCPZ-CQSZACIVSA-N 1 2 383.539 2.252 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000685594997 653306420 /nfs/dbraw/zinc/30/64/20/653306420.db2.gz PQQMSDQZNHDPQI-HNNXBMFYSA-N 1 2 381.885 2.439 20 0 GEADLO Cc1ccc(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)c(N(C)C)[nH+]1 ZINC000775544065 653316860 /nfs/dbraw/zinc/31/68/60/653316860.db2.gz DACMFONQQGHJLP-UHFFFAOYSA-N 1 2 386.836 2.148 20 0 GEADLO Cn1cc(C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)c(Br)n1 ZINC000712417818 653323922 /nfs/dbraw/zinc/32/39/22/653323922.db2.gz GREBGLUTDLRMLO-UHFFFAOYSA-N 1 2 379.258 2.293 20 0 GEADLO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(Br)nnn1C ZINC000716171176 653326329 /nfs/dbraw/zinc/32/63/29/653326329.db2.gz BSXCBNNEOLMXBW-TZMCWYRMSA-N 1 2 392.301 2.218 20 0 GEADLO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(Br)nnn1C ZINC000716171176 653326336 /nfs/dbraw/zinc/32/63/36/653326336.db2.gz BSXCBNNEOLMXBW-TZMCWYRMSA-N 1 2 392.301 2.218 20 0 GEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857708065 653333485 /nfs/dbraw/zinc/33/34/85/653333485.db2.gz AJSHFHIMPZNWPI-NSHDSACASA-N 1 2 396.289 2.217 20 0 GEADLO O=C(CCn1cc(Br)cn1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874896565 653341331 /nfs/dbraw/zinc/34/13/31/653341331.db2.gz NCHWSLNNXLFEID-OAHLLOKOSA-N 1 2 381.249 2.348 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)NCc2nn(C)cc2Br)c1C ZINC000836266698 653341666 /nfs/dbraw/zinc/34/16/66/653341666.db2.gz MJSYCLAFWSSKIW-UHFFFAOYSA-N 1 2 382.262 2.202 20 0 GEADLO COC(=O)NCCc1ccc(S(=O)(=O)N2c3cc[nH+]cc3C[C@H]2C)s1 ZINC000857900086 653342809 /nfs/dbraw/zinc/34/28/09/653342809.db2.gz XQXXATIEUBRLFA-LLVKDONJSA-N 1 2 381.479 2.182 20 0 GEADLO O=C(/C=C/c1ccc(I)o1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857965789 653344750 /nfs/dbraw/zinc/34/47/50/653344750.db2.gz QMGZCBYEOTXSBI-YWNRKNDBSA-N 1 2 383.189 2.225 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000857975083 653345768 /nfs/dbraw/zinc/34/57/68/653345768.db2.gz LIENRBXBCVBTPI-IPYPFGDCSA-N 1 2 377.242 2.379 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000857989460 653346630 /nfs/dbraw/zinc/34/66/30/653346630.db2.gz NRYCGMNJOQHXRW-FZMZJTMJSA-N 1 2 389.253 2.260 20 0 GEADLO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CCn2c[nH+]cc21 ZINC000857988997 653346772 /nfs/dbraw/zinc/34/67/72/653346772.db2.gz DOVHILOFJNOPGY-ZDUSSCGKSA-N 1 2 377.242 2.027 20 0 GEADLO Cc1c(Br)nccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000836680412 653368665 /nfs/dbraw/zinc/36/86/65/653368665.db2.gz DCPRMCZKBPKSCE-WCQYABFASA-N 1 2 383.290 2.479 20 0 GEADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc(C)nc2Br)CC1 ZINC000837134285 653403311 /nfs/dbraw/zinc/40/33/11/653403311.db2.gz FXZGVHIBXQCXPB-UHFFFAOYSA-N 1 2 383.334 2.298 20 0 GEADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2nc(Br)ccc2C)CC1 ZINC000837133216 653403444 /nfs/dbraw/zinc/40/34/44/653403444.db2.gz RGMZFVLDYAVDIB-UHFFFAOYSA-N 1 2 383.334 2.298 20 0 GEADLO S=c1n(CN2CCn3c[nH+]cc3C2)nnn1-c1ccc(Br)cc1 ZINC000811787017 653404510 /nfs/dbraw/zinc/40/45/10/653404510.db2.gz DUSIYIFOLOIGJN-UHFFFAOYSA-N 1 2 392.286 2.231 20 0 GEADLO CC[N@H+](CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)[C@H]1CCOC1 ZINC000812297045 653421096 /nfs/dbraw/zinc/42/10/96/653421096.db2.gz WTLFETDJQXGMCO-WMLDXEAASA-N 1 2 396.285 2.284 20 0 GEADLO CC[N@@H+](CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)[C@H]1CCOC1 ZINC000812297045 653421103 /nfs/dbraw/zinc/42/11/03/653421103.db2.gz WTLFETDJQXGMCO-WMLDXEAASA-N 1 2 396.285 2.284 20 0 GEADLO OCCO[C@@H]1CCC[N@H+](Cc2cccc(F)c2I)C1 ZINC000876721461 653444093 /nfs/dbraw/zinc/44/40/93/653444093.db2.gz PBSWJCQDAIHXOE-GFCCVEGCSA-N 1 2 379.213 2.404 20 0 GEADLO OCCO[C@@H]1CCC[N@@H+](Cc2cccc(F)c2I)C1 ZINC000876721461 653444095 /nfs/dbraw/zinc/44/40/95/653444095.db2.gz PBSWJCQDAIHXOE-GFCCVEGCSA-N 1 2 379.213 2.404 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000876732901 653444459 /nfs/dbraw/zinc/44/44/59/653444459.db2.gz JAQJKVVGKRMZKY-WDEREUQCSA-N 1 2 376.441 2.197 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000876732901 653444465 /nfs/dbraw/zinc/44/44/65/653444465.db2.gz JAQJKVVGKRMZKY-WDEREUQCSA-N 1 2 376.441 2.197 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000876732899 653444687 /nfs/dbraw/zinc/44/46/87/653444687.db2.gz JAQJKVVGKRMZKY-MNOVXSKESA-N 1 2 376.441 2.197 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000876732899 653444694 /nfs/dbraw/zinc/44/46/94/653444694.db2.gz JAQJKVVGKRMZKY-MNOVXSKESA-N 1 2 376.441 2.197 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1c(Br)nc2n1CCCC2 ZINC000837584315 653451766 /nfs/dbraw/zinc/45/17/66/653451766.db2.gz FVYOCGGNPKCBBA-UHFFFAOYSA-N 1 2 399.333 2.165 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1c(Br)nc2n1CCCC2 ZINC000837584315 653451767 /nfs/dbraw/zinc/45/17/67/653451767.db2.gz FVYOCGGNPKCBBA-UHFFFAOYSA-N 1 2 399.333 2.165 20 0 GEADLO CN(C(=O)c1ccccc1S(=O)(=O)C(F)(F)F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000812992576 653452096 /nfs/dbraw/zinc/45/20/96/653452096.db2.gz KHCDCKOQPWEJGX-GFCCVEGCSA-N 1 2 376.400 2.289 20 0 GEADLO CN(C(=O)c1ccccc1S(=O)(=O)C(F)(F)F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000812992576 653452102 /nfs/dbraw/zinc/45/21/02/653452102.db2.gz KHCDCKOQPWEJGX-GFCCVEGCSA-N 1 2 376.400 2.289 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)Oc1c(F)cccc1Br ZINC000859381791 653454002 /nfs/dbraw/zinc/45/40/02/653454002.db2.gz XBBUNNAIAKNEBO-UHFFFAOYSA-N 1 2 382.251 2.019 20 0 GEADLO COc1cc(/C=C\C(=O)NCCc2cn(C)c[nH+]2)cc(Br)c1O ZINC000837717260 653464488 /nfs/dbraw/zinc/46/44/88/653464488.db2.gz NVWHZNGMHVVIOU-ARJAWSKDSA-N 1 2 380.242 2.269 20 0 GEADLO O=C1[C@H]([NH2+]Cc2nc(Cl)ccc2Br)CCN1C1CCOCC1 ZINC000877077715 653464960 /nfs/dbraw/zinc/46/49/60/653464960.db2.gz RYCDEFAXASZYBV-GFCCVEGCSA-N 1 2 388.693 2.367 20 0 GEADLO O=Cc1cc(Br)cc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000859615604 653478081 /nfs/dbraw/zinc/47/80/81/653478081.db2.gz ACXGVZDRDAPZAQ-ZDUSSCGKSA-N 1 2 381.270 2.056 20 0 GEADLO CO[C@]1(CNc2ccc(N3CC[NH+](C)CC3)c(Br)c2)CCOC1 ZINC000877467822 653521829 /nfs/dbraw/zinc/52/18/29/653521829.db2.gz QEOKPBCHUFMFEC-KRWDZBQOSA-N 1 2 384.318 2.418 20 0 GEADLO NS(=O)(=O)c1cccc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000877478208 653525851 /nfs/dbraw/zinc/52/58/51/653525851.db2.gz KPABHSIRPZLTGW-UHFFFAOYSA-N 1 2 380.897 2.471 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2F)C1 ZINC000877484841 653527395 /nfs/dbraw/zinc/52/73/95/653527395.db2.gz GXSKPKNQJPQCMZ-CYBMUJFWSA-N 1 2 378.416 2.427 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2F)C1 ZINC000877484841 653527408 /nfs/dbraw/zinc/52/74/08/653527408.db2.gz GXSKPKNQJPQCMZ-CYBMUJFWSA-N 1 2 378.416 2.427 20 0 GEADLO Brc1ncn(CC[NH+]2CCN(c3cccc4[nH]ccc43)CC2)n1 ZINC000859833299 653608941 /nfs/dbraw/zinc/60/89/41/653608941.db2.gz MNQHQXTXGIHLDF-UHFFFAOYSA-N 1 2 375.274 2.344 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1ncc(Br)cc1Cl)C1CCOCC1 ZINC000877566912 653612539 /nfs/dbraw/zinc/61/25/39/653612539.db2.gz CBMSQJIXOOYFJB-UHFFFAOYSA-N 1 2 397.722 2.181 20 0 GEADLO CNC(=O)NC1CC[NH+](Cc2cccc(F)c2I)CC1 ZINC000877590417 653613426 /nfs/dbraw/zinc/61/34/26/653613426.db2.gz XLWOTDKAYKEUEG-UHFFFAOYSA-N 1 2 391.228 2.324 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877737552 653618235 /nfs/dbraw/zinc/61/82/35/653618235.db2.gz HFZOUDQFVLJFGU-MELADBBJSA-N 1 2 389.974 2.389 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877737552 653618238 /nfs/dbraw/zinc/61/82/38/653618238.db2.gz HFZOUDQFVLJFGU-MELADBBJSA-N 1 2 389.974 2.389 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NOCc2ccc(F)cc2Br)CCO1 ZINC000780371472 653624825 /nfs/dbraw/zinc/62/48/25/653624825.db2.gz ZAQDZDXWOCOPGQ-NSHDSACASA-N 1 2 390.253 2.040 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NOCc2ccc(F)cc2Br)CCO1 ZINC000780371472 653624826 /nfs/dbraw/zinc/62/48/26/653624826.db2.gz ZAQDZDXWOCOPGQ-NSHDSACASA-N 1 2 390.253 2.040 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)C(=O)NCCc1cn(C)c[nH+]1 ZINC000838744892 653629390 /nfs/dbraw/zinc/62/93/90/653629390.db2.gz PSJLRMOBEGTAAE-HNNXBMFYSA-N 1 2 381.274 2.100 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878169106 653630504 /nfs/dbraw/zinc/63/05/04/653630504.db2.gz KBJVMPQLTKXKHB-MNOVXSKESA-N 1 2 390.278 2.412 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878169106 653630505 /nfs/dbraw/zinc/63/05/05/653630505.db2.gz KBJVMPQLTKXKHB-MNOVXSKESA-N 1 2 390.278 2.412 20 0 GEADLO O[C@H](CN1CC[NH+](Cc2cccc(F)c2)CC1)c1cc(Br)no1 ZINC000878197772 653631214 /nfs/dbraw/zinc/63/12/14/653631214.db2.gz HWCWTCNBOYCPRP-CQSZACIVSA-N 1 2 384.249 2.427 20 0 GEADLO C[N@H+](C[C@@H]1CC2(CO1)CCOCC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000878341973 653635062 /nfs/dbraw/zinc/63/50/62/653635062.db2.gz MBWIIZHIBPMXLX-HOTGVXAUSA-N 1 2 397.313 2.493 20 0 GEADLO C[N@@H+](C[C@@H]1CC2(CO1)CCOCC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000878341973 653635063 /nfs/dbraw/zinc/63/50/63/653635063.db2.gz MBWIIZHIBPMXLX-HOTGVXAUSA-N 1 2 397.313 2.493 20 0 GEADLO COC(=O)c1cc(C(=O)C[NH2+][C@H](CO)c2cccc(Br)c2)c(C)[nH]1 ZINC000878396094 653636593 /nfs/dbraw/zinc/63/65/93/653636593.db2.gz GVEYLTLWSUXSRH-OAHLLOKOSA-N 1 2 395.253 2.378 20 0 GEADLO C[C@@H]1C[N@H+](C[C@H](O)c2cc(Br)no2)C[C@H]1NC(=O)OC(C)(C)C ZINC000878517881 653639910 /nfs/dbraw/zinc/63/99/10/653639910.db2.gz OGNDLRRDGVIDPL-MXWKQRLJSA-N 1 2 390.278 2.316 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@H](O)c2cc(Br)no2)C[C@H]1NC(=O)OC(C)(C)C ZINC000878517881 653639912 /nfs/dbraw/zinc/63/99/12/653639912.db2.gz OGNDLRRDGVIDPL-MXWKQRLJSA-N 1 2 390.278 2.316 20 0 GEADLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878627666 653642864 /nfs/dbraw/zinc/64/28/64/653642864.db2.gz SBCVJYNHGCADNE-NEPJUHHUSA-N 1 2 388.262 2.214 20 0 GEADLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878627666 653642865 /nfs/dbraw/zinc/64/28/65/653642865.db2.gz SBCVJYNHGCADNE-NEPJUHHUSA-N 1 2 388.262 2.214 20 0 GEADLO C[N@H+](C[C@@H](O)c1cc(Br)no1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000878630460 653643135 /nfs/dbraw/zinc/64/31/35/653643135.db2.gz BGSNVPNKHHMSAQ-SNVBAGLBSA-N 1 2 376.251 2.022 20 0 GEADLO C[N@@H+](C[C@@H](O)c1cc(Br)no1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000878630460 653643137 /nfs/dbraw/zinc/64/31/37/653643137.db2.gz BGSNVPNKHHMSAQ-SNVBAGLBSA-N 1 2 376.251 2.022 20 0 GEADLO OC[C@]1(F)C[N@H+](C[C@@H](O)c2cc(Br)no2)C[C@@H]1c1ccccc1 ZINC000878666370 653644064 /nfs/dbraw/zinc/64/40/64/653644064.db2.gz UBTBNUXQRAXDLH-XJKCOSOUSA-N 1 2 385.233 2.271 20 0 GEADLO OC[C@]1(F)C[N@@H+](C[C@@H](O)c2cc(Br)no2)C[C@@H]1c1ccccc1 ZINC000878666370 653644068 /nfs/dbraw/zinc/64/40/68/653644068.db2.gz UBTBNUXQRAXDLH-XJKCOSOUSA-N 1 2 385.233 2.271 20 0 GEADLO C[C@@H]1C[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C[C@@H](CO)O1 ZINC000815100847 653651868 /nfs/dbraw/zinc/65/18/68/653651868.db2.gz VYJXDOSNOLXGNC-GMXABZIVSA-N 1 2 378.694 2.392 20 0 GEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1csc(Cl)n1 ZINC000781918278 653651890 /nfs/dbraw/zinc/65/18/90/653651890.db2.gz UEZFUTDORKMITH-UHFFFAOYSA-N 1 2 381.885 2.438 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C[C@@H](CO)O1 ZINC000815100847 653651871 /nfs/dbraw/zinc/65/18/71/653651871.db2.gz VYJXDOSNOLXGNC-GMXABZIVSA-N 1 2 378.694 2.392 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C[C@@H](CO)O1 ZINC000815100851 653651974 /nfs/dbraw/zinc/65/19/74/653651974.db2.gz VYJXDOSNOLXGNC-IFUGULHKSA-N 1 2 378.694 2.392 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C[C@@H](CO)O1 ZINC000815100851 653651978 /nfs/dbraw/zinc/65/19/78/653651978.db2.gz VYJXDOSNOLXGNC-IFUGULHKSA-N 1 2 378.694 2.392 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000879221377 653663316 /nfs/dbraw/zinc/66/33/16/653663316.db2.gz BVWJQLOIKCAUPW-MXWKQRLJSA-N 1 2 390.278 2.458 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000879221377 653663320 /nfs/dbraw/zinc/66/33/20/653663320.db2.gz BVWJQLOIKCAUPW-MXWKQRLJSA-N 1 2 390.278 2.458 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)[C@H](C)C1 ZINC000861668876 653664251 /nfs/dbraw/zinc/66/42/51/653664251.db2.gz ZBRPWQFSZVVGFT-LLVKDONJSA-N 1 2 379.258 2.076 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)[C@H](C)C1 ZINC000861668876 653664254 /nfs/dbraw/zinc/66/42/54/653664254.db2.gz ZBRPWQFSZVVGFT-LLVKDONJSA-N 1 2 379.258 2.076 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000839824215 653665907 /nfs/dbraw/zinc/66/59/07/653665907.db2.gz HPIXZSJBRQDWBD-DZGCQCFKSA-N 1 2 378.270 2.400 20 0 GEADLO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000840116791 653675143 /nfs/dbraw/zinc/67/51/43/653675143.db2.gz DPQWNPXKRPGYEK-BBRMVZONSA-N 1 2 389.240 2.424 20 0 GEADLO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000840116791 653675147 /nfs/dbraw/zinc/67/51/47/653675147.db2.gz DPQWNPXKRPGYEK-BBRMVZONSA-N 1 2 389.240 2.424 20 0 GEADLO O=C(CCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21)c1ccc(Br)cc1 ZINC000879724532 653680232 /nfs/dbraw/zinc/68/02/32/653680232.db2.gz GRUYRUCNFKYNGW-IAGOWNOFSA-N 1 2 395.297 2.391 20 0 GEADLO O=C(CCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21)c1ccc(Br)cc1 ZINC000879724532 653680235 /nfs/dbraw/zinc/68/02/35/653680235.db2.gz GRUYRUCNFKYNGW-IAGOWNOFSA-N 1 2 395.297 2.391 20 0 GEADLO Cc1cc(CN(CCO)CC[NH+]2CCOCC2)c(Br)cc1F ZINC000862229866 653680706 /nfs/dbraw/zinc/68/07/06/653680706.db2.gz PRCSYTFGTYQCKX-UHFFFAOYSA-N 1 2 375.282 2.023 20 0 GEADLO Cc1cc(C[N@H+](CCO)CCN2CCOCC2)c(Br)cc1F ZINC000862229866 653680711 /nfs/dbraw/zinc/68/07/11/653680711.db2.gz PRCSYTFGTYQCKX-UHFFFAOYSA-N 1 2 375.282 2.023 20 0 GEADLO Cc1cc(C[N@@H+](CCO)CCN2CCOCC2)c(Br)cc1F ZINC000862229866 653680713 /nfs/dbraw/zinc/68/07/13/653680713.db2.gz PRCSYTFGTYQCKX-UHFFFAOYSA-N 1 2 375.282 2.023 20 0 GEADLO Cn1cc(C[N@H+](C)CCCN2C(=O)c3ccccc3C2=O)c(Br)n1 ZINC000862397995 653685526 /nfs/dbraw/zinc/68/55/26/653685526.db2.gz SZHSTTJRYOHTHS-UHFFFAOYSA-N 1 2 391.269 2.301 20 0 GEADLO Cn1cc(C[N@@H+](C)CCCN2C(=O)c3ccccc3C2=O)c(Br)n1 ZINC000862397995 653685528 /nfs/dbraw/zinc/68/55/28/653685528.db2.gz SZHSTTJRYOHTHS-UHFFFAOYSA-N 1 2 391.269 2.301 20 0 GEADLO Cc1[nH]c(CN2CCC(n3nncc3I)CC2)[nH+]c1C ZINC000862415648 653686203 /nfs/dbraw/zinc/68/62/03/653686203.db2.gz GNIYZCNHNGHWDK-UHFFFAOYSA-N 1 2 386.241 2.060 20 0 GEADLO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000862446010 653686923 /nfs/dbraw/zinc/68/69/23/653686923.db2.gz MFERKIUHILJDBI-KBPBESRZSA-N 1 2 375.778 2.390 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[NH+]1CCC(c2nnnn2C)CC1 ZINC000879915984 653687046 /nfs/dbraw/zinc/68/70/46/653687046.db2.gz FKBRLMBUMVDILE-UHFFFAOYSA-N 1 2 394.273 2.139 20 0 GEADLO CONC(=O)C1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000879923555 653687396 /nfs/dbraw/zinc/68/73/96/653687396.db2.gz HQQYVQLSBZSKAR-HNNXBMFYSA-N 1 2 386.279 2.488 20 0 GEADLO CCn1ncc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000816641952 653689542 /nfs/dbraw/zinc/68/95/42/653689542.db2.gz KVNDKQZAFZORRQ-UHFFFAOYSA-N 1 2 393.245 2.193 20 0 GEADLO C[C@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000879998793 653691610 /nfs/dbraw/zinc/69/16/10/653691610.db2.gz AHNQJHMSPTYPCJ-HNNXBMFYSA-N 1 2 375.416 2.477 20 0 GEADLO C[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000879998793 653691613 /nfs/dbraw/zinc/69/16/13/653691613.db2.gz AHNQJHMSPTYPCJ-HNNXBMFYSA-N 1 2 375.416 2.477 20 0 GEADLO O=C1C[C@@H]([NH+]2CCC(c3ccccc3Br)CC2)C(=O)N1CCCO ZINC000840742013 653692394 /nfs/dbraw/zinc/69/23/94/653692394.db2.gz QUMSKAPXOQJREL-MRXNPFEDSA-N 1 2 395.297 2.138 20 0 GEADLO C[C@H]1C[N@H+](CC(=O)NC(=O)NCc2cccs2)CC[C@H](C(F)(F)F)O1 ZINC000880056119 653695366 /nfs/dbraw/zinc/69/53/66/653695366.db2.gz KXKISQNNNGZVEJ-CMPLNLGQSA-N 1 2 379.404 2.116 20 0 GEADLO C[C@H]1C[N@@H+](CC(=O)NC(=O)NCc2cccs2)CC[C@H](C(F)(F)F)O1 ZINC000880056119 653695368 /nfs/dbraw/zinc/69/53/68/653695368.db2.gz KXKISQNNNGZVEJ-CMPLNLGQSA-N 1 2 379.404 2.116 20 0 GEADLO CCOC(=O)c1sc(CC2CC[NH+](CCS(=O)(=O)CC)CC2)nc1C ZINC000880265153 653702330 /nfs/dbraw/zinc/70/23/30/653702330.db2.gz URMYRZJLMODZBT-UHFFFAOYSA-N 1 2 388.555 2.317 20 0 GEADLO Cc1cc(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)cc(C)[nH+]1 ZINC000817142912 653703058 /nfs/dbraw/zinc/70/30/58/653703058.db2.gz YYSSLCCYHHKKDG-UHFFFAOYSA-N 1 2 390.433 2.173 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000863210109 653703807 /nfs/dbraw/zinc/70/38/07/653703807.db2.gz JAWZIQBWZJDJRQ-QGZVFWFLSA-N 1 2 387.908 2.381 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000863210109 653703808 /nfs/dbraw/zinc/70/38/08/653703808.db2.gz JAWZIQBWZJDJRQ-QGZVFWFLSA-N 1 2 387.908 2.381 20 0 GEADLO C[N@H+](CCCc1ccccc1Br)Cc1nnc2c(=O)[nH]ccn12 ZINC000880362266 653705017 /nfs/dbraw/zinc/70/50/17/653705017.db2.gz ICEULFSJLLEYIZ-UHFFFAOYSA-N 1 2 376.258 2.245 20 0 GEADLO C[N@@H+](CCCc1ccccc1Br)Cc1nnc2c(=O)[nH]ccn12 ZINC000880362266 653705021 /nfs/dbraw/zinc/70/50/21/653705021.db2.gz ICEULFSJLLEYIZ-UHFFFAOYSA-N 1 2 376.258 2.245 20 0 GEADLO CC(=O)N[C@@H]1CC[N@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000817367453 653709025 /nfs/dbraw/zinc/70/90/25/653709025.db2.gz JPHVRMTYEZJJDL-OAHLLOKOSA-N 1 2 378.274 2.184 20 0 GEADLO CC(=O)N[C@@H]1CC[N@@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000817367453 653709026 /nfs/dbraw/zinc/70/90/26/653709026.db2.gz JPHVRMTYEZJJDL-OAHLLOKOSA-N 1 2 378.274 2.184 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881268706 653723269 /nfs/dbraw/zinc/72/32/69/653723269.db2.gz AMWYMCWCRLFTEC-UHFFFAOYSA-N 1 2 394.229 2.188 20 0 GEADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC000841573387 653736825 /nfs/dbraw/zinc/73/68/25/653736825.db2.gz MJKJHUXFHJVWLV-QWRGUYRKSA-N 1 2 389.930 2.025 20 0 GEADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC000841573387 653736829 /nfs/dbraw/zinc/73/68/29/653736829.db2.gz MJKJHUXFHJVWLV-QWRGUYRKSA-N 1 2 389.930 2.025 20 0 GEADLO CC(C)n1ncc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1Br ZINC000864536766 653740660 /nfs/dbraw/zinc/74/06/60/653740660.db2.gz OKKFUNYWJUOWCT-CYBMUJFWSA-N 1 2 385.306 2.163 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)Cc3cc[nH]n3)cc2Br)CC1 ZINC000787669882 653742025 /nfs/dbraw/zinc/74/20/25/653742025.db2.gz DGQAIFJZBTZKFK-UHFFFAOYSA-N 1 2 378.274 2.105 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(F)cc3I)C[C@@H]21 ZINC000841889264 653742383 /nfs/dbraw/zinc/74/23/83/653742383.db2.gz SPPLZLJXYJQBES-PJXYFTJBSA-N 1 2 375.181 2.281 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(F)cc3I)C[C@@H]21 ZINC000841889264 653742384 /nfs/dbraw/zinc/74/23/84/653742384.db2.gz SPPLZLJXYJQBES-PJXYFTJBSA-N 1 2 375.181 2.281 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C1CCCCC1 ZINC000881870500 653745396 /nfs/dbraw/zinc/74/53/96/653745396.db2.gz SHLFQULFUBYCAR-NPMXOYFQSA-N 1 2 377.576 2.222 20 0 GEADLO C[Si](C)(C)c1ccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000788020867 653747621 /nfs/dbraw/zinc/74/76/21/653747621.db2.gz JFRMNBVWJGDWFA-ZWKOTPCHSA-N 1 2 381.614 2.400 20 0 GEADLO C[Si](C)(C)c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000788020867 653747623 /nfs/dbraw/zinc/74/76/23/653747623.db2.gz JFRMNBVWJGDWFA-ZWKOTPCHSA-N 1 2 381.614 2.400 20 0 GEADLO CC(=O)N[C@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000864884959 653747753 /nfs/dbraw/zinc/74/77/53/653747753.db2.gz QPVHVDVWLOYCNE-ABAIWWIYSA-N 1 2 379.258 2.028 20 0 GEADLO Cn1c[nH+]c(CCN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)c1 ZINC000842259054 653749879 /nfs/dbraw/zinc/74/98/79/653749879.db2.gz RKUDYRJJGWHRTB-MRXNPFEDSA-N 1 2 377.242 2.192 20 0 GEADLO O=C(Nc1cn2cc(Br)ncc2n1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000788150104 653750860 /nfs/dbraw/zinc/75/08/60/653750860.db2.gz RVPFFPDTSVNKFS-UHFFFAOYSA-N 1 2 384.197 2.325 20 0 GEADLO COc1cc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cnc1Br ZINC000788227375 653752798 /nfs/dbraw/zinc/75/27/98/653752798.db2.gz FFBXXOIEUURJDO-UHFFFAOYSA-N 1 2 386.290 2.036 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=S)NCc1ccc(Br)cc1 ZINC000788334803 653754418 /nfs/dbraw/zinc/75/44/18/653754418.db2.gz VJDYOIODJDBJEI-CYBMUJFWSA-N 1 2 386.359 2.476 20 0 GEADLO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000788507828 653757702 /nfs/dbraw/zinc/75/77/02/653757702.db2.gz RBQKULMYXCBLIQ-UHFFFAOYSA-N 1 2 379.429 2.371 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)NCCCn2cc[nH+]c2)c(C)c1Cl ZINC000788578550 653759735 /nfs/dbraw/zinc/75/97/35/653759735.db2.gz UXESLWQNDGOVRJ-UHFFFAOYSA-N 1 2 377.875 2.062 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(C)nc1Cl)[NH+]1CCOCC1 ZINC000788588548 653760014 /nfs/dbraw/zinc/76/00/14/653760014.db2.gz IADVCFAYBHVYQE-OAHLLOKOSA-N 1 2 389.949 2.459 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1cc(F)ccc1Br ZINC000788607385 653760581 /nfs/dbraw/zinc/76/05/81/653760581.db2.gz ZOZFMOIVBYGFOL-CQSZACIVSA-N 1 2 398.232 2.075 20 0 GEADLO COCC[C@@H](C[NH2+]Cc1n[nH]cc1Br)NC(=O)OC(C)(C)C ZINC000865471868 653766223 /nfs/dbraw/zinc/76/62/23/653766223.db2.gz VJMKIDMPOWPOCW-JTQLQIEISA-N 1 2 377.283 2.192 20 0 GEADLO NS(=O)(=O)c1cc(Br)ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000865486142 653766589 /nfs/dbraw/zinc/76/65/89/653766589.db2.gz JTHNKMUANQASKL-UHFFFAOYSA-N 1 2 385.287 2.135 20 0 GEADLO OC[C@H]([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1cccc(Br)c1 ZINC000865496629 653766804 /nfs/dbraw/zinc/76/68/04/653766804.db2.gz WPAWGKFKURAQBT-CVEARBPZSA-N 1 2 381.274 2.043 20 0 GEADLO OC[C@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1ccc(Br)cc1 ZINC000865517965 653767440 /nfs/dbraw/zinc/76/74/40/653767440.db2.gz HQRJZWPVGKBDQM-HOTGVXAUSA-N 1 2 381.274 2.043 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(Br)cc1F ZINC000788997971 653767924 /nfs/dbraw/zinc/76/79/24/653767924.db2.gz LOYPCYXZPITWQF-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO Cc1c(Cl)nc(-c2ccccn2)nc1N1CC[NH+](CC[S@](C)=O)CC1 ZINC000865554320 653768263 /nfs/dbraw/zinc/76/82/63/653768263.db2.gz XLURXJUAMBWVCU-VWLOTQADSA-N 1 2 379.917 2.001 20 0 GEADLO Cc1cc(OS(=O)(=O)CCn2cc[nH+]c2)ccc1I ZINC000882213089 653769707 /nfs/dbraw/zinc/76/97/07/653769707.db2.gz UUYJRFGXBXXQQA-UHFFFAOYSA-N 1 2 392.218 2.205 20 0 GEADLO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000842863182 653770968 /nfs/dbraw/zinc/77/09/68/653770968.db2.gz AGBQOZRVUPPPQM-SNVBAGLBSA-N 1 2 399.257 2.075 20 0 GEADLO COc1nc(Br)ccc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000789373984 653772648 /nfs/dbraw/zinc/77/26/48/653772648.db2.gz SDKLZOBPNDGWCJ-QWRGUYRKSA-N 1 2 387.278 2.083 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(Br)ccc1F ZINC000842960906 653774860 /nfs/dbraw/zinc/77/48/60/653774860.db2.gz DOBWAQOJHKCGOL-AAEUAGOBSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(Br)ccc1F ZINC000842960906 653774862 /nfs/dbraw/zinc/77/48/62/653774862.db2.gz DOBWAQOJHKCGOL-AAEUAGOBSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)/C=C/c1ccc(Br)o1 ZINC000842965464 653775194 /nfs/dbraw/zinc/77/51/94/653775194.db2.gz OLPIAMIFGXKCEO-JRCXTIHVSA-N 1 2 388.258 2.334 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)/C=C/c1ccc(Br)o1 ZINC000842965464 653775195 /nfs/dbraw/zinc/77/51/95/653775195.db2.gz OLPIAMIFGXKCEO-JRCXTIHVSA-N 1 2 388.258 2.334 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)Cc1sccc1Br ZINC000842965668 653775381 /nfs/dbraw/zinc/77/53/81/653775381.db2.gz NWFWAJMNMKLBKC-NEPJUHHUSA-N 1 2 392.315 2.332 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)Cc1sccc1Br ZINC000842965668 653775383 /nfs/dbraw/zinc/77/53/83/653775383.db2.gz NWFWAJMNMKLBKC-NEPJUHHUSA-N 1 2 392.315 2.332 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(F)cc(Br)c1 ZINC000842966876 653775552 /nfs/dbraw/zinc/77/55/52/653775552.db2.gz SBQFBJLJOJXKLC-XHDPSFHLSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(F)cc(Br)c1 ZINC000842966876 653775555 /nfs/dbraw/zinc/77/55/55/653775555.db2.gz SBQFBJLJOJXKLC-XHDPSFHLSA-N 1 2 390.249 2.481 20 0 GEADLO CCc1nn(C)c(CC)c1C[NH2+]Cc1c(I)cnn1C ZINC000865868027 653777756 /nfs/dbraw/zinc/77/77/56/653777756.db2.gz FAMHMYCGEUCGQF-UHFFFAOYSA-N 1 2 387.269 2.173 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1ccnn1CC1CCC1 ZINC000865867510 653777889 /nfs/dbraw/zinc/77/78/89/653777889.db2.gz NJUCMNLQCGVERT-UHFFFAOYSA-N 1 2 385.253 2.311 20 0 GEADLO Cc1cc(Br)ccc1Cc1noc([C@@H]([NH3+])CCS(C)(=O)=O)n1 ZINC000843210996 653781473 /nfs/dbraw/zinc/78/14/73/653781473.db2.gz LZTQNCUWQHGCGT-LBPRGKRZSA-N 1 2 388.287 2.166 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC000882454856 653782713 /nfs/dbraw/zinc/78/27/13/653782713.db2.gz NHZPEIQJZZHFDU-CMJOXMDJSA-N 1 2 377.576 2.268 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1)C1CCCCC1 ZINC000882454856 653782716 /nfs/dbraw/zinc/78/27/16/653782716.db2.gz NHZPEIQJZZHFDU-CMJOXMDJSA-N 1 2 377.576 2.268 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(Cl)cc2Br)C1 ZINC000866394789 653792879 /nfs/dbraw/zinc/79/28/79/653792879.db2.gz FZKAIIRNTMEBDS-JTQLQIEISA-N 1 2 384.679 2.142 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(Cl)cc2Br)C1 ZINC000866394789 653792880 /nfs/dbraw/zinc/79/28/80/653792880.db2.gz FZKAIIRNTMEBDS-JTQLQIEISA-N 1 2 384.679 2.142 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000882734952 653801281 /nfs/dbraw/zinc/80/12/81/653801281.db2.gz QAZNZZDFJYELMP-UHFFFAOYSA-N 1 2 389.587 2.147 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844146091 653802406 /nfs/dbraw/zinc/80/24/06/653802406.db2.gz HNTAFKPRAQZAKK-BBRMVZONSA-N 1 2 378.270 2.400 20 0 GEADLO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc(F)nc2F)cc1F ZINC000882740604 653802765 /nfs/dbraw/zinc/80/27/65/653802765.db2.gz BSUUNQRJCBQKLA-UHFFFAOYSA-N 1 2 375.372 2.240 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000844314474 653804903 /nfs/dbraw/zinc/80/49/03/653804903.db2.gz QTWFGGYDOABYLD-KRWDZBQOSA-N 1 2 384.860 2.220 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000844314474 653804904 /nfs/dbraw/zinc/80/49/04/653804904.db2.gz QTWFGGYDOABYLD-KRWDZBQOSA-N 1 2 384.860 2.220 20 0 GEADLO O=C(NCCC[C@H]1CC1(Cl)Cl)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000844540112 653808397 /nfs/dbraw/zinc/80/83/97/653808397.db2.gz HEXXEKXZKUZYTH-ZDUSSCGKSA-N 1 2 390.315 2.311 20 0 GEADLO CCCN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=S(C)(C)=O ZINC000866694315 653812247 /nfs/dbraw/zinc/81/22/47/653812247.db2.gz LNJCLOLHYOWMGL-KRWDZBQOSA-N 1 2 387.571 2.335 20 0 GEADLO CCCN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N=S(C)(C)=O ZINC000866694315 653812252 /nfs/dbraw/zinc/81/22/52/653812252.db2.gz LNJCLOLHYOWMGL-KRWDZBQOSA-N 1 2 387.571 2.335 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ncc(Br)cc2O)C1 ZINC000895122709 653819383 /nfs/dbraw/zinc/81/93/83/653819383.db2.gz RXGMXMJBAJCHPC-LBPRGKRZSA-N 1 2 382.180 2.050 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(Br)cc2O)C1 ZINC000895122709 653819390 /nfs/dbraw/zinc/81/93/90/653819390.db2.gz RXGMXMJBAJCHPC-LBPRGKRZSA-N 1 2 382.180 2.050 20 0 GEADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000882993190 653821294 /nfs/dbraw/zinc/82/12/94/653821294.db2.gz KOBMWJXPRBLMOH-CYBMUJFWSA-N 1 2 387.241 2.491 20 0 GEADLO O=C(NCCC[C@H]1CC1(Cl)Cl)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000844913374 653828962 /nfs/dbraw/zinc/82/89/62/653828962.db2.gz VQTGYQYRELKJIO-ZFWWWQNUSA-N 1 2 396.384 2.468 20 0 GEADLO C[C@@](CO)([NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1cccc(O)c1 ZINC000895390279 653831673 /nfs/dbraw/zinc/83/16/73/653831673.db2.gz VTVMTDKSRZJAFZ-KRWDZBQOSA-N 1 2 383.901 2.336 20 0 GEADLO Cc1sc(NC(=O)C[NH2+]C(C)(C)c2nccs2)c(-c2nn[nH]n2)c1C ZINC000822563209 653831885 /nfs/dbraw/zinc/83/18/85/653831885.db2.gz HHLXWMXTVRQXHJ-UHFFFAOYSA-N 1 2 377.499 2.465 20 0 GEADLO O=C1NCCn2c(C[NH2+][C@H]3CCCCc4ccc(Br)cc43)nnc21 ZINC000883305427 653835214 /nfs/dbraw/zinc/83/52/14/653835214.db2.gz WJWIMQVYFRINJR-AWEZNQCLSA-N 1 2 390.285 2.341 20 0 GEADLO COc1ccc(C2=NO[C@H](C[NH2+]Cc3c(Br)cnn3C)C2)cc1 ZINC000895496197 653838389 /nfs/dbraw/zinc/83/83/89/653838389.db2.gz OATZQBKRYASKEM-ZDUSSCGKSA-N 1 2 379.258 2.474 20 0 GEADLO O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2ncc(Br)cc2O)C1 ZINC000895516041 653839209 /nfs/dbraw/zinc/83/92/09/653839209.db2.gz ZDIBXNQVVMNDEP-CQSZACIVSA-N 1 2 383.267 2.309 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)N=S1(=O)CCCC1 ZINC000866859325 653839260 /nfs/dbraw/zinc/83/92/60/653839260.db2.gz KKGBVCXKWBZXNV-INIZCTEOSA-N 1 2 385.555 2.089 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)N=S1(=O)CCCC1 ZINC000866859325 653839263 /nfs/dbraw/zinc/83/92/63/653839263.db2.gz KKGBVCXKWBZXNV-INIZCTEOSA-N 1 2 385.555 2.089 20 0 GEADLO COC(=O)[C@]1(O)CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000895702646 653846628 /nfs/dbraw/zinc/84/66/28/653846628.db2.gz DIUQARNCCRHKNM-AWEZNQCLSA-N 1 2 380.185 2.160 20 0 GEADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000895702646 653846629 /nfs/dbraw/zinc/84/66/29/653846629.db2.gz DIUQARNCCRHKNM-AWEZNQCLSA-N 1 2 380.185 2.160 20 0 GEADLO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](C[C@H]2C[C@]2(C)Br)CCO1 ZINC000895763149 653849446 /nfs/dbraw/zinc/84/94/46/653849446.db2.gz ZYMXNMKVUODBGZ-KCXAZCMYSA-N 1 2 378.307 2.219 20 0 GEADLO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](C[C@H]2C[C@]2(C)Br)CCO1 ZINC000895763149 653849448 /nfs/dbraw/zinc/84/94/48/653849448.db2.gz ZYMXNMKVUODBGZ-KCXAZCMYSA-N 1 2 378.307 2.219 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(N(C)C)[nH+]1 ZINC000793086875 653865967 /nfs/dbraw/zinc/86/59/67/653865967.db2.gz HMJAJFZTNBLLRU-BLLLJJGKSA-N 1 2 385.295 2.437 20 0 GEADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2c[nH]c(=O)c(Br)c2)n1 ZINC000823385658 653866519 /nfs/dbraw/zinc/86/65/19/653866519.db2.gz PPLOMPVNCLASGE-VIFPVBQESA-N 1 2 385.218 2.331 20 0 GEADLO CONC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000793164656 653868813 /nfs/dbraw/zinc/86/88/13/653868813.db2.gz YRXDERSYADINCU-CYBMUJFWSA-N 1 2 389.237 2.116 20 0 GEADLO CONC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000793164656 653868814 /nfs/dbraw/zinc/86/88/14/653868814.db2.gz YRXDERSYADINCU-CYBMUJFWSA-N 1 2 389.237 2.116 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000793249804 653872125 /nfs/dbraw/zinc/87/21/25/653872125.db2.gz CKFLPQXKJVXBIY-GFCCVEGCSA-N 1 2 392.253 2.321 20 0 GEADLO NS(=O)(=O)C[C@H]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000896395809 653877600 /nfs/dbraw/zinc/87/76/00/653877600.db2.gz LQDSOZYZKYZWOY-VIFPVBQESA-N 1 2 388.262 2.251 20 0 GEADLO Cc1ncc(I)c(NC[C@@H]2CC[N@@H+]2C2CCOCC2)n1 ZINC000896528378 653882682 /nfs/dbraw/zinc/88/26/82/653882682.db2.gz VBBATPFQFQTFFH-LBPRGKRZSA-N 1 2 388.253 2.055 20 0 GEADLO Cc1ncc(I)c(NC[C@@H]2CC[N@H+]2C2CCOCC2)n1 ZINC000896528378 653882684 /nfs/dbraw/zinc/88/26/84/653882684.db2.gz VBBATPFQFQTFFH-LBPRGKRZSA-N 1 2 388.253 2.055 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cc2cccnc21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896554968 653885039 /nfs/dbraw/zinc/88/50/39/653885039.db2.gz XXESNXSVLVIHTJ-WBMJQRKESA-N 1 2 391.313 2.361 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cc2cccnc21)[C@@H]1CN(C)CC[N@H+]1C ZINC000896554968 653885040 /nfs/dbraw/zinc/88/50/40/653885040.db2.gz XXESNXSVLVIHTJ-WBMJQRKESA-N 1 2 391.313 2.361 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)cc2cccnc21)[C@H]1CN(C)CC[N@@H+]1C ZINC000896554963 653885163 /nfs/dbraw/zinc/88/51/63/653885163.db2.gz XXESNXSVLVIHTJ-BLLLJJGKSA-N 1 2 391.313 2.361 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)cc2cccnc21)[C@H]1CN(C)CC[N@H+]1C ZINC000896554963 653885166 /nfs/dbraw/zinc/88/51/66/653885166.db2.gz XXESNXSVLVIHTJ-BLLLJJGKSA-N 1 2 391.313 2.361 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1cnn(C(C)(C)C)c1I ZINC000896800904 653895113 /nfs/dbraw/zinc/89/51/13/653895113.db2.gz LYTXHNNRGHIPMP-UHFFFAOYSA-N 1 2 387.225 2.204 20 0 GEADLO CS(=O)(=O)C[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCO1 ZINC000896878861 653897953 /nfs/dbraw/zinc/89/79/53/653897953.db2.gz VOKQTTUFQLGURB-NSHDSACASA-N 1 2 385.283 2.247 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3cc(Br)nn3C)C2)s1 ZINC000896971287 653901125 /nfs/dbraw/zinc/90/11/25/653901125.db2.gz RSPJKEFTFRFKNN-VIFPVBQESA-N 1 2 385.287 2.415 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3cc(Br)nn3C)C2)s1 ZINC000896971287 653901128 /nfs/dbraw/zinc/90/11/28/653901128.db2.gz RSPJKEFTFRFKNN-VIFPVBQESA-N 1 2 385.287 2.415 20 0 GEADLO C[N@@H+]1CCN(C(=O)CSc2n[nH]c(=S)s2)[C@H](Cc2ccccc2)C1 ZINC000846510240 653901349 /nfs/dbraw/zinc/90/13/49/653901349.db2.gz HPZXGHINGRWHPY-CYBMUJFWSA-N 1 2 380.564 2.304 20 0 GEADLO C[N@H+]1CCN(C(=O)CSc2n[nH]c(=S)s2)[C@H](Cc2ccccc2)C1 ZINC000846510240 653901352 /nfs/dbraw/zinc/90/13/52/653901352.db2.gz HPZXGHINGRWHPY-CYBMUJFWSA-N 1 2 380.564 2.304 20 0 GEADLO CN1CC[NH+](CCCS(=O)(=O)Oc2cnc3ccc(Cl)cc3c2)CC1 ZINC000867241766 653901611 /nfs/dbraw/zinc/90/16/11/653901611.db2.gz PUENYAZVTZDPPP-UHFFFAOYSA-N 1 2 383.901 2.234 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000824576226 653902131 /nfs/dbraw/zinc/90/21/31/653902131.db2.gz DQFSQSSZHPRFSQ-LBPRGKRZSA-N 1 2 385.258 2.493 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000824576226 653902133 /nfs/dbraw/zinc/90/21/33/653902133.db2.gz DQFSQSSZHPRFSQ-LBPRGKRZSA-N 1 2 385.258 2.493 20 0 GEADLO CC(C)(C)OC(=O)NCC[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(F)F ZINC000824677863 653904925 /nfs/dbraw/zinc/90/49/25/653904925.db2.gz KIFTUDHCLIORFX-AGIUHOORSA-N 1 2 384.489 2.480 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1c(Br)nc2n1CCC2 ZINC000824714217 653906029 /nfs/dbraw/zinc/90/60/29/653906029.db2.gz AJBYNHDTOINYJA-UHFFFAOYSA-N 1 2 378.274 2.097 20 0 GEADLO CN(C)C(=O)CN(CC(F)(F)F)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000846821421 653910628 /nfs/dbraw/zinc/91/06/28/653910628.db2.gz PNVKXQAAHDVKRS-CQSZACIVSA-N 1 2 379.810 2.422 20 0 GEADLO COc1ccc(Cl)cc1-c1nc(=S)n(C[N@@H+]2CC[C@](C)(C(N)=O)C2)[nH]1 ZINC000794710103 653917549 /nfs/dbraw/zinc/91/75/49/653917549.db2.gz IXVPRCBRDGCFBB-INIZCTEOSA-N 1 2 381.889 2.424 20 0 GEADLO COc1ccc(Cl)cc1-c1nc(=S)n(C[N@H+]2CC[C@](C)(C(N)=O)C2)[nH]1 ZINC000794710103 653917554 /nfs/dbraw/zinc/91/75/54/653917554.db2.gz IXVPRCBRDGCFBB-INIZCTEOSA-N 1 2 381.889 2.424 20 0 GEADLO C[C@@H](CNC(=O)CSC(=S)N1CCC(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179388 653919265 /nfs/dbraw/zinc/91/92/65/653919265.db2.gz CBFQGJSHUJLPGV-HRCADAONSA-N 1 2 387.615 2.350 20 0 GEADLO C[C@@H](CNC(=O)CSC(=S)N1CCC(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179388 653919266 /nfs/dbraw/zinc/91/92/66/653919266.db2.gz CBFQGJSHUJLPGV-HRCADAONSA-N 1 2 387.615 2.350 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H](C)C(=O)Nc3ccc(Br)c(C)c3)C[C@@H]21 ZINC000794963614 653925612 /nfs/dbraw/zinc/92/56/12/653925612.db2.gz HYJWDUDCAJPAKQ-PBOSXPJTSA-N 1 2 381.270 2.435 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H](C)C(=O)Nc3ccc(Br)c(C)c3)C[C@@H]21 ZINC000794963614 653925615 /nfs/dbraw/zinc/92/56/15/653925615.db2.gz HYJWDUDCAJPAKQ-PBOSXPJTSA-N 1 2 381.270 2.435 20 0 GEADLO O=C(c1cnc(F)c(Br)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000847480059 653930338 /nfs/dbraw/zinc/93/03/38/653930338.db2.gz IOEXETOILHGXLX-ZDUSSCGKSA-N 1 2 386.265 2.310 20 0 GEADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCCCn2cc(Br)cn2)[nH]n1 ZINC000897615405 653930421 /nfs/dbraw/zinc/93/04/21/653930421.db2.gz RVCYETCMKMWKPC-HNNXBMFYSA-N 1 2 395.305 2.346 20 0 GEADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCCCn2cc(Br)cn2)[nH]n1 ZINC000897615405 653930436 /nfs/dbraw/zinc/93/04/36/653930436.db2.gz RVCYETCMKMWKPC-HNNXBMFYSA-N 1 2 395.305 2.346 20 0 GEADLO C[C@@]1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1(Br)Br ZINC000825927609 653943950 /nfs/dbraw/zinc/94/39/50/653943950.db2.gz GKGGZIVYAUOACZ-LBPRGKRZSA-N 1 2 398.139 2.110 20 0 GEADLO C[C@@]1(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1(Br)Br ZINC000825927609 653943951 /nfs/dbraw/zinc/94/39/51/653943951.db2.gz GKGGZIVYAUOACZ-LBPRGKRZSA-N 1 2 398.139 2.110 20 0 GEADLO O=C(c1csc(I)n1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000826003865 653945004 /nfs/dbraw/zinc/94/50/04/653945004.db2.gz XZLKXZAVMIREFV-VIFPVBQESA-N 1 2 388.234 2.422 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CC(Cc3ccoc3)C2)cc1Br ZINC000898160029 653956347 /nfs/dbraw/zinc/95/63/47/653956347.db2.gz NKMWRHCJJQECHA-UHFFFAOYSA-N 1 2 385.283 2.364 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)[C@@H](CO)C1 ZINC000826708195 653958248 /nfs/dbraw/zinc/95/82/48/653958248.db2.gz SULSOURDZHJOIA-MRVPVSSYSA-N 1 2 399.182 2.356 20 0 GEADLO C[N@H+]1CCN(C(=O)c2cc(Br)c(C(F)(F)F)cc2F)[C@@H](CO)C1 ZINC000826708195 653958251 /nfs/dbraw/zinc/95/82/51/653958251.db2.gz SULSOURDZHJOIA-MRVPVSSYSA-N 1 2 399.182 2.356 20 0 GEADLO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1n[nH]c2ccc(Br)cc21 ZINC000885869311 653960933 /nfs/dbraw/zinc/96/09/33/653960933.db2.gz QJICPOBXOPLUSY-ZDUSSCGKSA-N 1 2 393.285 2.309 20 0 GEADLO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1n[nH]c2ccc(Br)cc21 ZINC000885869311 653960937 /nfs/dbraw/zinc/96/09/37/653960937.db2.gz QJICPOBXOPLUSY-ZDUSSCGKSA-N 1 2 393.285 2.309 20 0 GEADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)cc(F)c1O ZINC000867639797 653966461 /nfs/dbraw/zinc/96/64/61/653966461.db2.gz DJAGWIWBWANYHN-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)cc(F)c1O ZINC000867639797 653966466 /nfs/dbraw/zinc/96/64/66/653966466.db2.gz DJAGWIWBWANYHN-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO O=S(=O)(NCc1cc[nH+]c(N2CCSCC2)c1)c1cccnc1Cl ZINC000867655710 653969347 /nfs/dbraw/zinc/96/93/47/653969347.db2.gz WZZJTLKKYCRPJQ-UHFFFAOYSA-N 1 2 384.914 2.162 20 0 GEADLO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000867731368 653978067 /nfs/dbraw/zinc/97/80/67/653978067.db2.gz ZHCYPHSUMVFFEF-UHFFFAOYSA-N 1 2 397.248 2.426 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000898664360 653979611 /nfs/dbraw/zinc/97/96/11/653979611.db2.gz DKTPDKJCHAMPJD-WDEREUQCSA-N 1 2 379.448 2.324 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000898664360 653979613 /nfs/dbraw/zinc/97/96/13/653979613.db2.gz DKTPDKJCHAMPJD-WDEREUQCSA-N 1 2 379.448 2.324 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000898664356 653979774 /nfs/dbraw/zinc/97/97/74/653979774.db2.gz DKTPDKJCHAMPJD-MNOVXSKESA-N 1 2 379.448 2.324 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000898664356 653979779 /nfs/dbraw/zinc/97/97/79/653979779.db2.gz DKTPDKJCHAMPJD-MNOVXSKESA-N 1 2 379.448 2.324 20 0 GEADLO CC(C)n1ncc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1I ZINC000898812240 653987215 /nfs/dbraw/zinc/98/72/15/653987215.db2.gz ZZDNGCDLBQGXBQ-JTQLQIEISA-N 1 2 385.209 2.140 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CCCOc1ccccc1Br ZINC000898882823 653990523 /nfs/dbraw/zinc/99/05/23/653990523.db2.gz DLZSKNSXJYQKED-CYBMUJFWSA-N 1 2 382.258 2.191 20 0 GEADLO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898888035 653990991 /nfs/dbraw/zinc/99/09/91/653990991.db2.gz MYAJKPQEQNWENS-QMTHXVAHSA-N 1 2 384.249 2.350 20 0 GEADLO Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1 ZINC000886794973 654000498 /nfs/dbraw/zinc/00/04/98/654000498.db2.gz IOLMOAYACSVNTR-INIZCTEOSA-N 1 2 376.444 2.450 20 0 GEADLO Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1 ZINC000886794973 654000502 /nfs/dbraw/zinc/00/05/02/654000502.db2.gz IOLMOAYACSVNTR-INIZCTEOSA-N 1 2 376.444 2.450 20 0 GEADLO C[N@H+](CCCN1CCOC1=O)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000796592216 654000759 /nfs/dbraw/zinc/00/07/59/654000759.db2.gz CFUVNAXNPFPMLY-UHFFFAOYSA-N 1 2 394.273 2.304 20 0 GEADLO C[N@@H+](CCCN1CCOC1=O)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000796592216 654000762 /nfs/dbraw/zinc/00/07/62/654000762.db2.gz CFUVNAXNPFPMLY-UHFFFAOYSA-N 1 2 394.273 2.304 20 0 GEADLO O=C(C[N@H+]1CC[C@](CO)(C(F)(F)F)C1)NCCOc1cccc(Cl)c1 ZINC000886799106 654000856 /nfs/dbraw/zinc/00/08/56/654000856.db2.gz MNOFCWVQRBAOHD-HNNXBMFYSA-N 1 2 380.794 2.082 20 0 GEADLO O=C(C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1)NCCOc1cccc(Cl)c1 ZINC000886799106 654000860 /nfs/dbraw/zinc/00/08/60/654000860.db2.gz MNOFCWVQRBAOHD-HNNXBMFYSA-N 1 2 380.794 2.082 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000886842439 654005162 /nfs/dbraw/zinc/00/51/62/654005162.db2.gz UFYSQFVCJHSHMB-VXGBXAGGSA-N 1 2 376.258 2.272 20 0 GEADLO O=C(N[C@H]1COc2cccc(Br)c2C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000828027031 654016774 /nfs/dbraw/zinc/01/67/74/654016774.db2.gz LODTXRFYFCWMBV-VXGBXAGGSA-N 1 2 376.254 2.328 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1CCOc2c(Br)cccc21 ZINC000868066842 654016821 /nfs/dbraw/zinc/01/68/21/654016821.db2.gz QABMQNAEWFJIIZ-PRSOIBJXSA-N 1 2 381.270 2.277 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2noc(-c3c(F)cccc3Cl)n2)CC1 ZINC000828070394 654020660 /nfs/dbraw/zinc/02/06/60/654020660.db2.gz GGXWQLZDYFKRLW-RUZDIDTESA-N 1 2 386.880 2.025 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000849407018 654025127 /nfs/dbraw/zinc/02/51/27/654025127.db2.gz FBUZWHMQLMSJBZ-NSHDSACASA-N 1 2 394.324 2.262 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000849407018 654025132 /nfs/dbraw/zinc/02/51/32/654025132.db2.gz FBUZWHMQLMSJBZ-NSHDSACASA-N 1 2 394.324 2.262 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000849407017 654025305 /nfs/dbraw/zinc/02/53/05/654025305.db2.gz FBUZWHMQLMSJBZ-LLVKDONJSA-N 1 2 394.324 2.262 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000849407017 654025311 /nfs/dbraw/zinc/02/53/11/654025311.db2.gz FBUZWHMQLMSJBZ-LLVKDONJSA-N 1 2 394.324 2.262 20 0 GEADLO COCC[N@H+](C)Cc1cn([C@H]2CCOc3ccc(Br)cc32)nn1 ZINC000899738773 654030978 /nfs/dbraw/zinc/03/09/78/654030978.db2.gz IBPXFDZSNJNTRL-HNNXBMFYSA-N 1 2 381.274 2.491 20 0 GEADLO COCC[N@@H+](C)Cc1cn([C@H]2CCOc3ccc(Br)cc32)nn1 ZINC000899738773 654030980 /nfs/dbraw/zinc/03/09/80/654030980.db2.gz IBPXFDZSNJNTRL-HNNXBMFYSA-N 1 2 381.274 2.491 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C1(n2cc(Br)cn2)CC1 ZINC000828487006 654037289 /nfs/dbraw/zinc/03/72/89/654037289.db2.gz DUXMVXLDWZBEED-OAHLLOKOSA-N 1 2 375.270 2.438 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C1(n2cc(Br)cn2)CC1 ZINC000828487006 654037295 /nfs/dbraw/zinc/03/72/95/654037295.db2.gz DUXMVXLDWZBEED-OAHLLOKOSA-N 1 2 375.270 2.438 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc(Br)ncc1Br ZINC000868699000 654051034 /nfs/dbraw/zinc/05/10/34/654051034.db2.gz LVZXKBKMEAKOCO-SSDOTTSWSA-N 1 2 386.047 2.158 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000798141024 654051366 /nfs/dbraw/zinc/05/13/66/654051366.db2.gz PWDLVFVYGBFNNQ-UHFFFAOYSA-N 1 2 378.841 2.490 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000868721639 654052289 /nfs/dbraw/zinc/05/22/89/654052289.db2.gz WBFNCGBKWLENJC-KVDVXYDOSA-N 1 2 391.309 2.314 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000868721639 654052290 /nfs/dbraw/zinc/05/22/90/654052290.db2.gz WBFNCGBKWLENJC-KVDVXYDOSA-N 1 2 391.309 2.314 20 0 GEADLO NS(=O)(=O)c1cc(C(=O)NCCCCNc2cccc[nH+]2)ccc1Cl ZINC000798323768 654058833 /nfs/dbraw/zinc/05/88/33/654058833.db2.gz FHSWIUCHIUESNQ-UHFFFAOYSA-N 1 2 382.873 2.005 20 0 GEADLO O=C(c1cc2ncc(Br)cn2n1)N1CCC(n2cc[nH+]c2)CC1 ZINC000900449616 654064396 /nfs/dbraw/zinc/06/43/96/654064396.db2.gz UNOKDTMUEBGERH-UHFFFAOYSA-N 1 2 375.230 2.166 20 0 GEADLO CC(C)n1ncc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1I ZINC000869103905 654069295 /nfs/dbraw/zinc/06/92/95/654069295.db2.gz VFMRBUFEJJCPAW-SNVBAGLBSA-N 1 2 399.236 2.010 20 0 GEADLO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000900564494 654070109 /nfs/dbraw/zinc/07/01/09/654070109.db2.gz XCCPFWKZQOAXDA-GFCCVEGCSA-N 1 2 382.251 2.178 20 0 GEADLO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000916452480 654095832 /nfs/dbraw/zinc/09/58/32/654095832.db2.gz BKRQQFIMCJFDAA-YYUOZPCZSA-N 1 2 399.460 2.304 20 0 GEADLO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000916452480 654095838 /nfs/dbraw/zinc/09/58/38/654095838.db2.gz BKRQQFIMCJFDAA-YYUOZPCZSA-N 1 2 399.460 2.304 20 0 GEADLO CC(=O)NC(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000916606151 654101443 /nfs/dbraw/zinc/10/14/43/654101443.db2.gz PABPALUEWSEKME-JTQLQIEISA-N 1 2 381.889 2.298 20 0 GEADLO C[C@@H](O)[C@@H](C)Sc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000916722439 654105364 /nfs/dbraw/zinc/10/53/64/654105364.db2.gz KZSUBHWBJNYNHD-CHWSQXEVSA-N 1 2 383.539 2.042 20 0 GEADLO C[C@H](O)[C@H](C)Sc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000916722442 654105953 /nfs/dbraw/zinc/10/59/53/654105953.db2.gz KZSUBHWBJNYNHD-STQMWFEESA-N 1 2 383.539 2.042 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)c1cn(-c2ccccc2Br)nn1 ZINC000916962842 654111218 /nfs/dbraw/zinc/11/12/18/654111218.db2.gz JRIKLYBCWDIBTG-UHFFFAOYSA-N 1 2 387.241 2.267 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H](O)c1cccc(Br)c1 ZINC000901187297 654113651 /nfs/dbraw/zinc/11/36/51/654113651.db2.gz BGDGZFLFIOAQML-GDBMZVCRSA-N 1 2 376.254 2.273 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(Cl)cn1 ZINC000830411765 654115249 /nfs/dbraw/zinc/11/52/49/654115249.db2.gz HQHRTLNMVRSSIA-UHFFFAOYSA-N 1 2 385.917 2.229 20 0 GEADLO C/C(=C\C(=O)NCCNc1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000901358959 654122687 /nfs/dbraw/zinc/12/26/87/654122687.db2.gz DQTABGRSAULKGP-SDNWHVSQSA-N 1 2 382.302 2.256 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CCO1 ZINC000800125085 654130630 /nfs/dbraw/zinc/13/06/30/654130630.db2.gz AEYASKQBKMLSFD-IAQYHMDHSA-N 1 2 384.885 2.407 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CCO1 ZINC000800125085 654130632 /nfs/dbraw/zinc/13/06/32/654130632.db2.gz AEYASKQBKMLSFD-IAQYHMDHSA-N 1 2 384.885 2.407 20 0 GEADLO Cn1nc(C(F)(F)F)c(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1Cl ZINC000889210657 654131724 /nfs/dbraw/zinc/13/17/24/654131724.db2.gz RGMMKZZHZLRJRE-SECBINFHSA-N 1 2 381.786 2.031 20 0 GEADLO Cc1ccc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)c(C)c1Br ZINC000870062000 654141993 /nfs/dbraw/zinc/14/19/93/654141993.db2.gz IHVJOYKKGINUOS-OAHLLOKOSA-N 1 2 397.313 2.239 20 0 GEADLO O=C(CSCc1cccc(Cl)c1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870075825 654142679 /nfs/dbraw/zinc/14/26/79/654142679.db2.gz VATYFEUCEGUWIM-QGZVFWFLSA-N 1 2 384.929 2.133 20 0 GEADLO O=C(Nc1nc2cc(Br)c(F)cc2[nH]1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000889645929 654155027 /nfs/dbraw/zinc/15/50/27/654155027.db2.gz AUBDGPIUCJXWJS-VIFPVBQESA-N 1 2 383.221 2.124 20 0 GEADLO O=C(COC(=O)[C@@H]1CC1(Cl)Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000918954216 654166796 /nfs/dbraw/zinc/16/67/96/654166796.db2.gz VCUHPRHDPPGZTD-LBPRGKRZSA-N 1 2 377.293 2.129 20 0 GEADLO Cc1nn(C)c(Br)c1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000800920802 654167103 /nfs/dbraw/zinc/16/71/03/654167103.db2.gz PGUUIHWTIKDOBZ-UHFFFAOYSA-N 1 2 394.273 2.283 20 0 GEADLO CC1(C)OC[C@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)O1 ZINC000851744962 654174444 /nfs/dbraw/zinc/17/44/44/654174444.db2.gz STPYZFQTBLZFLB-HNNXBMFYSA-N 1 2 383.286 2.358 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000919330350 654177367 /nfs/dbraw/zinc/17/73/67/654177367.db2.gz HSJFWQBNRCIKDK-GJZGRUSLSA-N 1 2 380.901 2.029 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000919330350 654177374 /nfs/dbraw/zinc/17/73/74/654177374.db2.gz HSJFWQBNRCIKDK-GJZGRUSLSA-N 1 2 380.901 2.029 20 0 GEADLO O=C(c1ccc(O)cc1)C1CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000851820856 654183216 /nfs/dbraw/zinc/18/32/16/654183216.db2.gz IHMGYUCPDIKIEI-UHFFFAOYSA-N 1 2 379.258 2.341 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc(S(=O)(=O)NC)c2)n1 ZINC000919756200 654191717 /nfs/dbraw/zinc/19/17/17/654191717.db2.gz HKRUMJRNDVJREY-UHFFFAOYSA-N 1 2 382.511 2.145 20 0 GEADLO C[C@@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000801539226 654199933 /nfs/dbraw/zinc/19/99/33/654199933.db2.gz DMLIXUYBSCAEDX-LLVKDONJSA-N 1 2 383.905 2.418 20 0 GEADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000870887662 654203485 /nfs/dbraw/zinc/20/34/85/654203485.db2.gz FDSNETRINWYLPT-GFCCVEGCSA-N 1 2 393.285 2.182 20 0 GEADLO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccccc1Br ZINC000903231882 654230842 /nfs/dbraw/zinc/23/08/42/654230842.db2.gz PZJFDDHLPOSELW-SNVBAGLBSA-N 1 2 383.333 2.157 20 0 GEADLO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000851975507 654210172 /nfs/dbraw/zinc/21/01/72/654210172.db2.gz RFUSSOZOBHTYSI-CYBMUJFWSA-N 1 2 387.263 2.222 20 0 GEADLO CCOC(=O)[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc(OC)c(Br)c1 ZINC000831817292 654211749 /nfs/dbraw/zinc/21/17/49/654211749.db2.gz SFIDOIPDZQSYON-HNNXBMFYSA-N 1 2 396.241 2.144 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000890297615 654213186 /nfs/dbraw/zinc/21/31/86/654213186.db2.gz XCQOJWJAODXCHP-LLVKDONJSA-N 1 2 379.448 2.278 20 0 GEADLO O=C(COc1ccc(I)cc1)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802239310 654223687 /nfs/dbraw/zinc/22/36/87/654223687.db2.gz TXBVEOPDBSULBM-CYBMUJFWSA-N 1 2 393.196 2.257 20 0 GEADLO O=C(COc1ccc(I)cc1)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802239310 654223689 /nfs/dbraw/zinc/22/36/89/654223689.db2.gz TXBVEOPDBSULBM-CYBMUJFWSA-N 1 2 393.196 2.257 20 0 GEADLO COC(=O)c1cnc([C@@H](C)[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000903189219 654225226 /nfs/dbraw/zinc/22/52/26/654225226.db2.gz STGZTUQSDOHBOZ-LLVKDONJSA-N 1 2 389.543 2.221 20 0 GEADLO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]Cc1nc(CN(C)C)cs1 ZINC000903218631 654228020 /nfs/dbraw/zinc/22/80/20/654228020.db2.gz ALMDOXUDQPQQJG-ZDUSSCGKSA-N 1 2 382.555 2.320 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cnc(C3OCCO3)s2)C1 ZINC000852338344 654233703 /nfs/dbraw/zinc/23/37/03/654233703.db2.gz QTFRJJYVPCDTTR-ZJUUUORDSA-N 1 2 380.388 2.362 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2cnc(C3OCCO3)s2)C1 ZINC000852338344 654233709 /nfs/dbraw/zinc/23/37/09/654233709.db2.gz QTFRJJYVPCDTTR-ZJUUUORDSA-N 1 2 380.388 2.362 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccccc2-c2ccno2)n1 ZINC000921103749 654236183 /nfs/dbraw/zinc/23/61/83/654236183.db2.gz BDIJLZVSAIFNJT-UHFFFAOYSA-N 1 2 378.479 2.338 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c(Br)c1 ZINC000852444705 654240538 /nfs/dbraw/zinc/24/05/38/654240538.db2.gz XAGAEBWDHCHHFC-CYBMUJFWSA-N 1 2 383.242 2.262 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c(Br)c1 ZINC000852444705 654240545 /nfs/dbraw/zinc/24/05/45/654240545.db2.gz XAGAEBWDHCHHFC-CYBMUJFWSA-N 1 2 383.242 2.262 20 0 GEADLO CSc1cc(F)ccc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000832166190 654241465 /nfs/dbraw/zinc/24/14/65/654241465.db2.gz HYMMXOAVCDPGRR-UHFFFAOYSA-N 1 2 389.518 2.178 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)CSCc2cscn2)CC1 ZINC000871544234 654241897 /nfs/dbraw/zinc/24/18/97/654241897.db2.gz UVBZAPTVYVBINC-UHFFFAOYSA-N 1 2 385.555 2.299 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2cccnc2Br)CC1 ZINC000871544261 654241977 /nfs/dbraw/zinc/24/19/77/654241977.db2.gz VUGMWQGQCCUDQZ-UHFFFAOYSA-N 1 2 398.301 2.380 20 0 GEADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000921413072 654265454 /nfs/dbraw/zinc/26/54/54/654265454.db2.gz CEWLVVVFMOXXJF-HUUCEWRRSA-N 1 2 388.917 2.270 20 0 GEADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000921413072 654265457 /nfs/dbraw/zinc/26/54/57/654265457.db2.gz CEWLVVVFMOXXJF-HUUCEWRRSA-N 1 2 388.917 2.270 20 0 GEADLO O=S(=O)(N[C@@H]1CCn2c[nH+]cc2C1)c1c[nH]c2c1cccc2Br ZINC000903644799 654271998 /nfs/dbraw/zinc/27/19/98/654271998.db2.gz KRFWEUBILGJNPP-SNVBAGLBSA-N 1 2 395.282 2.420 20 0 GEADLO CCCS(=O)(=O)N1CCC(Nc2nc(C)[nH+]c(C)c2Br)CC1 ZINC000853161748 654282893 /nfs/dbraw/zinc/28/28/93/654282893.db2.gz ZIWCQWADYNMMEG-UHFFFAOYSA-N 1 2 391.335 2.472 20 0 GEADLO CCC[N@H+](C)[C@H](CNC(=O)C[C@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000804127824 654301118 /nfs/dbraw/zinc/30/11/18/654301118.db2.gz BAZBPHBTUBLTGU-ZIAGYGMSSA-N 1 2 382.917 2.396 20 0 GEADLO CCC[N@@H+](C)[C@H](CNC(=O)C[C@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000804127824 654301125 /nfs/dbraw/zinc/30/11/25/654301125.db2.gz BAZBPHBTUBLTGU-ZIAGYGMSSA-N 1 2 382.917 2.396 20 0 GEADLO O=C(c1cc[n+]([O-])cc1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804268783 654303848 /nfs/dbraw/zinc/30/38/48/654303848.db2.gz LURNGHCUYLKLEC-UHFFFAOYSA-N 1 2 391.225 2.215 20 0 GEADLO O=C(c1cnsn1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804268299 654304002 /nfs/dbraw/zinc/30/40/02/654304002.db2.gz BLEGFVMYEUJDMR-UHFFFAOYSA-N 1 2 382.243 2.433 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853606094 654309493 /nfs/dbraw/zinc/30/94/93/654309493.db2.gz KJJSGWMLROUSNA-BXUZGUMPSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853606094 654309497 /nfs/dbraw/zinc/30/94/97/654309497.db2.gz KJJSGWMLROUSNA-BXUZGUMPSA-N 1 2 376.284 2.047 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)[C@@](C)(O)C3CC3)cc2Br)CC1 ZINC000804613003 654315003 /nfs/dbraw/zinc/31/50/03/654315003.db2.gz IFEYYHCTJKSTQD-KRWDZBQOSA-N 1 2 382.302 2.300 20 0 GEADLO C[N@H+](Cc1ncc(Br)cc1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000892111054 654329654 /nfs/dbraw/zinc/32/96/54/654329654.db2.gz HODCNAXCYIHPFI-JSGCOSHPSA-N 1 2 377.304 2.337 20 0 GEADLO C[N@@H+](Cc1ncc(Br)cc1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000892111054 654329658 /nfs/dbraw/zinc/32/96/58/654329658.db2.gz HODCNAXCYIHPFI-JSGCOSHPSA-N 1 2 377.304 2.337 20 0 GEADLO O=S(=O)(c1ccc(F)c(C(F)F)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000872457520 654342013 /nfs/dbraw/zinc/34/20/13/654342013.db2.gz CKFXRXOYVVZRGS-UHFFFAOYSA-N 1 2 378.416 2.249 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)c2cccc(Br)n2)C[C@H]1n1cc[nH+]c1 ZINC000872460509 654343435 /nfs/dbraw/zinc/34/34/35/654343435.db2.gz AXMMAFVJZJUFAE-NWDGAFQWSA-N 1 2 385.287 2.312 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)n2)C[C@H]1n1cc[nH+]c1 ZINC000872460512 654343735 /nfs/dbraw/zinc/34/37/35/654343735.db2.gz AXMMAFVJZJUFAE-VXGBXAGGSA-N 1 2 385.287 2.312 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nc(Cl)nc3sccc32)CC1 ZINC000872479635 654350915 /nfs/dbraw/zinc/35/09/15/654350915.db2.gz OLJBFJZIVHBCMS-LBPRGKRZSA-N 1 2 379.917 2.478 20 0 GEADLO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)cc1 ZINC000872485306 654352994 /nfs/dbraw/zinc/35/29/94/654352994.db2.gz NPNUYOKNVHYGLT-IZHWHUGBSA-N 1 2 391.559 2.029 20 0 GEADLO O=C(Cc1ncc[nH]1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000854415922 654359574 /nfs/dbraw/zinc/35/95/74/654359574.db2.gz BZAGWDNZZSMJRA-UHFFFAOYSA-N 1 2 378.230 2.233 20 0 GEADLO COc1cc(C[NH2+]Cc2csc(C(F)(F)F)n2)ccc1OCC(N)=O ZINC000892706765 654360404 /nfs/dbraw/zinc/36/04/04/654360404.db2.gz YBOLGPVZVNNSHK-UHFFFAOYSA-N 1 2 375.372 2.324 20 0 GEADLO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1c(Br)cnn1C ZINC000922302786 654382250 /nfs/dbraw/zinc/38/22/50/654382250.db2.gz RSAQZKIJVAMXHX-NSHDSACASA-N 1 2 382.258 2.413 20 0 GEADLO Cc1ccccc1CN1CCO[C@@H](C[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000922313767 654382686 /nfs/dbraw/zinc/38/26/86/654382686.db2.gz CHMMHUUWZIUPPH-HNNXBMFYSA-N 1 2 379.302 2.471 20 0 GEADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC000872645441 654384986 /nfs/dbraw/zinc/38/49/86/654384986.db2.gz PTCYOPNITKBVBY-AWEZNQCLSA-N 1 2 384.502 2.203 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CN2CCOC2=S)C[C@H]1C(F)(F)F ZINC000872811191 654397895 /nfs/dbraw/zinc/39/78/95/654397895.db2.gz ZQCOPWNLSWMDTJ-WDEREUQCSA-N 1 2 383.436 2.196 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CN2CCOC2=S)C[C@H]1C(F)(F)F ZINC000872811191 654397898 /nfs/dbraw/zinc/39/78/98/654397898.db2.gz ZQCOPWNLSWMDTJ-WDEREUQCSA-N 1 2 383.436 2.196 20 0 GEADLO COC(=O)c1sccc1C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000893614452 654410591 /nfs/dbraw/zinc/41/05/91/654410591.db2.gz SFGWMWSHPSCGRD-UHFFFAOYSA-N 1 2 380.491 2.364 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000906063232 654411730 /nfs/dbraw/zinc/41/17/30/654411730.db2.gz FVYJCMWBPWDSLW-FQEVSTJZSA-N 1 2 398.348 2.285 20 0 GEADLO CCN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@H]1CC[N@H+](C)C1 ZINC000855362431 654415201 /nfs/dbraw/zinc/41/52/01/654415201.db2.gz NFEXVWLCTWFNIV-LBPRGKRZSA-N 1 2 389.315 2.019 20 0 GEADLO CCN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@H]1CC[N@@H+](C)C1 ZINC000855362431 654415202 /nfs/dbraw/zinc/41/52/02/654415202.db2.gz NFEXVWLCTWFNIV-LBPRGKRZSA-N 1 2 389.315 2.019 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cn(C(C)(C)C)nc2Br)[C@@H](C)CO1 ZINC000855412058 654417591 /nfs/dbraw/zinc/41/75/91/654417591.db2.gz RUNXCPJTSYJULR-RYUDHWBXSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cn(C(C)(C)C)nc2Br)[C@@H](C)CO1 ZINC000855412058 654417593 /nfs/dbraw/zinc/41/75/93/654417593.db2.gz RUNXCPJTSYJULR-RYUDHWBXSA-N 1 2 387.322 2.240 20 0 GEADLO Cn1ncc(I)c1C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000922989440 654423278 /nfs/dbraw/zinc/42/32/78/654423278.db2.gz MYUZDONASUIBBE-CABCVRRESA-N 1 2 383.233 2.163 20 0 GEADLO Brc1cccc(N2CC[NH+](Cc3cnc4n3CCOC4)CC2)c1 ZINC000894306703 654463569 /nfs/dbraw/zinc/46/35/69/654463569.db2.gz SIODQAKENUJPLS-UHFFFAOYSA-N 1 2 377.286 2.498 20 0 GEADLO C[C@](CO)(NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000894310102 654464184 /nfs/dbraw/zinc/46/41/84/654464184.db2.gz SDXIWXDPCBCILY-RHSMWYFYSA-N 1 2 393.285 2.167 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2cnc(Br)cn2)C1 ZINC000923536030 654464575 /nfs/dbraw/zinc/46/45/75/654464575.db2.gz HDHNYOFGZUOGTL-LLVKDONJSA-N 1 2 379.262 2.062 20 0 GEADLO C[C@H]1CCN(C(=O)NCc2cnc(Br)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000923536607 654464619 /nfs/dbraw/zinc/46/46/19/654464619.db2.gz QENDXIFCRFOHTD-AAEUAGOBSA-N 1 2 379.262 2.228 20 0 GEADLO Cn1cc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c(I)n1 ZINC000894360032 654469436 /nfs/dbraw/zinc/46/94/36/654469436.db2.gz SOTCQZCXHWVKSV-UHFFFAOYSA-N 1 2 392.285 2.055 20 0 GEADLO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1c(I)cnn1C ZINC000894384711 654471628 /nfs/dbraw/zinc/47/16/28/654471628.db2.gz OYUAOSGLUGAGDB-UHFFFAOYSA-N 1 2 398.248 2.370 20 0 GEADLO COCC[C@H]([NH2+]Cc1c(I)cnn1C)c1ccco1 ZINC000894430645 654475320 /nfs/dbraw/zinc/47/53/20/654475320.db2.gz HVONJRYOLFLEJB-NSHDSACASA-N 1 2 375.210 2.485 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)oc1Cl ZINC000906832139 654477358 /nfs/dbraw/zinc/47/73/58/654477358.db2.gz HKCNNZDZWMLMLU-NSHDSACASA-N 1 2 392.886 2.362 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000894847285 654502180 /nfs/dbraw/zinc/50/21/80/654502180.db2.gz DEXLCOYFKFUHDF-GFCCVEGCSA-N 1 2 375.254 2.273 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000894847285 654502178 /nfs/dbraw/zinc/50/21/78/654502178.db2.gz DEXLCOYFKFUHDF-GFCCVEGCSA-N 1 2 375.254 2.273 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000894904370 654504679 /nfs/dbraw/zinc/50/46/79/654504679.db2.gz HJZXWVDYZZQKPO-CHWSQXEVSA-N 1 2 384.489 2.434 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000894904370 654504683 /nfs/dbraw/zinc/50/46/83/654504683.db2.gz HJZXWVDYZZQKPO-CHWSQXEVSA-N 1 2 384.489 2.434 20 0 GEADLO C[C@H]([NH2+]Cc1nc(Br)nn1C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000894917004 654505418 /nfs/dbraw/zinc/50/54/18/654505418.db2.gz MLYLQEDPQIVLQG-QWRGUYRKSA-N 1 2 378.274 2.034 20 0 GEADLO CO[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2I)C12CCC2 ZINC000894917568 654505460 /nfs/dbraw/zinc/50/54/60/654505460.db2.gz NOLRYZZQIUEHSK-NEPJUHHUSA-N 1 2 375.254 2.414 20 0 GEADLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2I)C12CCC2 ZINC000894917568 654505461 /nfs/dbraw/zinc/50/54/61/654505461.db2.gz NOLRYZZQIUEHSK-NEPJUHHUSA-N 1 2 375.254 2.414 20 0 GEADLO Cn1cc(CNC(=O)N2CCCC[C@@H]2c2c[nH+]cn2C)c(Br)n1 ZINC000924566239 654519779 /nfs/dbraw/zinc/51/97/79/654519779.db2.gz WFWMYPPGJMFEDX-GFCCVEGCSA-N 1 2 381.278 2.353 20 0 GEADLO CO[C@]1(C(F)(F)F)CCCN(C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000924774876 654524319 /nfs/dbraw/zinc/52/43/19/654524319.db2.gz FIHWIUSQRQKSJY-CQSZACIVSA-N 1 2 380.436 2.458 20 0 GEADLO CO[C@@]1(C(F)(F)F)CCCN(C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000924774872 654524354 /nfs/dbraw/zinc/52/43/54/654524354.db2.gz FIHWIUSQRQKSJY-AWEZNQCLSA-N 1 2 380.436 2.458 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)n1 ZINC000924782921 654524634 /nfs/dbraw/zinc/52/46/34/654524634.db2.gz SMRULQLZVANWQB-CQSZACIVSA-N 1 2 380.436 2.194 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)oc1Cl ZINC000907267632 654525215 /nfs/dbraw/zinc/52/52/15/654525215.db2.gz DZYBRWQOAVUYQV-NWDGAFQWSA-N 1 2 376.862 2.015 20 0 GEADLO C[NH+](C)CCn1nccc1C(=O)Nc1nc2cccc(Br)c2[nH]1 ZINC000925629736 654546974 /nfs/dbraw/zinc/54/69/74/654546974.db2.gz NPCIJRKNRBAJPF-UHFFFAOYSA-N 1 2 377.246 2.336 20 0 GEADLO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cc(CO)on1 ZINC000926298480 654567537 /nfs/dbraw/zinc/56/75/37/654567537.db2.gz IFSLGIHMCNOGCD-QMTHXVAHSA-N 1 2 380.242 2.386 20 0 GEADLO C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)c2ncnn21 ZINC000926412149 654570428 /nfs/dbraw/zinc/57/04/28/654570428.db2.gz XWJOQYLFHGIVFQ-GXSJLCMTSA-N 1 2 390.296 2.159 20 0 GEADLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000926502190 654572471 /nfs/dbraw/zinc/57/24/71/654572471.db2.gz RDZRBJVXSAQPQM-SNVBAGLBSA-N 1 2 377.080 2.221 20 0 GEADLO CN1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC[N@H+](C)CC1 ZINC000907789137 654579248 /nfs/dbraw/zinc/57/92/48/654579248.db2.gz HBPKLEFQWIFTDF-UHFFFAOYSA-N 1 2 384.304 2.000 20 0 GEADLO CN1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC[N@@H+](C)CC1 ZINC000907789137 654579252 /nfs/dbraw/zinc/57/92/52/654579252.db2.gz HBPKLEFQWIFTDF-UHFFFAOYSA-N 1 2 384.304 2.000 20 0 GEADLO C[C@H](NCc1c(I)cnn1C)c1cn2c([nH+]1)CCCC2 ZINC000926810875 654582539 /nfs/dbraw/zinc/58/25/39/654582539.db2.gz AXZVFTCRBVDAQK-JTQLQIEISA-N 1 2 385.253 2.408 20 0 GEADLO C[C@H]([NH2+]Cc1cn(C2CC2)c(=O)[nH]c1=O)c1nc(Br)ccc1F ZINC000926852735 654583726 /nfs/dbraw/zinc/58/37/26/654583726.db2.gz ZMJIXFUKLNNFOD-QMMMGPOBSA-N 1 2 383.221 2.431 20 0 GEADLO CC[C@@H](C(=O)N(C)Cc1ncc(Br)cn1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000926977080 654586822 /nfs/dbraw/zinc/58/68/22/654586822.db2.gz LMUKPABDGQQONG-KBPBESRZSA-N 1 2 385.306 2.087 20 0 GEADLO CC[C@@H](C(=O)N(C)Cc1ncc(Br)cn1)[N@H+]1CCO[C@@H](CC)C1 ZINC000926977080 654586830 /nfs/dbraw/zinc/58/68/30/654586830.db2.gz LMUKPABDGQQONG-KBPBESRZSA-N 1 2 385.306 2.087 20 0 GEADLO CC[C@H](C(=O)N(C)Cc1ncc(Br)cn1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000926977084 654586894 /nfs/dbraw/zinc/58/68/94/654586894.db2.gz LMUKPABDGQQONG-UONOGXRCSA-N 1 2 385.306 2.087 20 0 GEADLO CC[C@H](C(=O)N(C)Cc1ncc(Br)cn1)[N@H+]1CCO[C@@H](CC)C1 ZINC000926977084 654586896 /nfs/dbraw/zinc/58/68/96/654586896.db2.gz LMUKPABDGQQONG-UONOGXRCSA-N 1 2 385.306 2.087 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2sccc2S(=O)(=O)C(F)F)n1 ZINC000927768398 654613077 /nfs/dbraw/zinc/61/30/77/654613077.db2.gz PJXSVENKDAMVNK-UHFFFAOYSA-N 1 2 395.478 2.193 20 0 GEADLO CCc1ccc(S(C)(=O)=O)cc1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927766518 654613099 /nfs/dbraw/zinc/61/30/99/654613099.db2.gz RKLBCYAKBSQFLC-UHFFFAOYSA-N 1 2 381.523 2.101 20 0 GEADLO CC(C)C(=O)Nc1nc(CC(=O)NCc2nc(C[NH+](C)C)cs2)cs1 ZINC000927771866 654613289 /nfs/dbraw/zinc/61/32/89/654613289.db2.gz RCDCNNSZBJGJLA-UHFFFAOYSA-N 1 2 381.527 2.115 20 0 GEADLO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C(=O)c1ccc(Br)s1 ZINC000928079295 654629111 /nfs/dbraw/zinc/62/91/11/654629111.db2.gz MEOLXVCCXRXCQA-NXEZZACHSA-N 1 2 389.340 2.389 20 0 GEADLO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C(=O)c1ccc(Br)s1 ZINC000928079295 654629112 /nfs/dbraw/zinc/62/91/12/654629112.db2.gz MEOLXVCCXRXCQA-NXEZZACHSA-N 1 2 389.340 2.389 20 0 GEADLO C/C(=C\C(=O)N1CCC[C@H]1c1ncc(Br)cn1)C[NH+]1CCOCC1 ZINC000928355182 654641621 /nfs/dbraw/zinc/64/16/21/654641621.db2.gz AOSRVGUSGGTLGK-GLNPCMGASA-N 1 2 395.301 2.181 20 0 GEADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928357248 654642586 /nfs/dbraw/zinc/64/25/86/654642586.db2.gz GXCCNLXCADYRKL-YPMHNXCESA-N 1 2 376.258 2.362 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc2cncc(Br)c2n1 ZINC000928635026 654653383 /nfs/dbraw/zinc/65/33/83/654653383.db2.gz NUCNQGVWRRBKSX-ZDUSSCGKSA-N 1 2 393.285 2.233 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)CC1(Br)Br ZINC000928647341 654654166 /nfs/dbraw/zinc/65/41/66/654654166.db2.gz GOHDXZLDPIGPHG-PWSUYJOCSA-N 1 2 398.139 2.110 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC000929200430 654675571 /nfs/dbraw/zinc/67/55/71/654675571.db2.gz ICWQUKFDKUTZMO-IOASZLSFSA-N 1 2 383.945 2.459 20 0 GEADLO CC(C)(CNC(=O)c1cc(Br)c2nccnc2c1)[NH+]1CCOCC1 ZINC000929340579 654680233 /nfs/dbraw/zinc/68/02/33/654680233.db2.gz UJLYYRGDWZAMQC-UHFFFAOYSA-N 1 2 393.285 2.233 20 0 GEADLO CCOCCOCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000929430549 654683679 /nfs/dbraw/zinc/68/36/79/654683679.db2.gz AHUTZNJXRNKJQX-UHFFFAOYSA-N 1 2 396.962 2.151 20 0 GEADLO CCOCCOCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000929430549 654683684 /nfs/dbraw/zinc/68/36/84/654683684.db2.gz AHUTZNJXRNKJQX-UHFFFAOYSA-N 1 2 396.962 2.151 20 0 GEADLO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc(Br)nc2N)CC1 ZINC000930060667 654698408 /nfs/dbraw/zinc/69/84/08/654698408.db2.gz HANPJBPKDYKSED-AWEZNQCLSA-N 1 2 380.290 2.105 20 0 GEADLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H]1CCC2(COC2)O1 ZINC000930301763 654705055 /nfs/dbraw/zinc/70/50/55/654705055.db2.gz YTWFABKZLAXMGX-INIZCTEOSA-N 1 2 393.285 2.410 20 0 GEADLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H]1CCC2(COC2)O1 ZINC000930301763 654705057 /nfs/dbraw/zinc/70/50/57/654705057.db2.gz YTWFABKZLAXMGX-INIZCTEOSA-N 1 2 393.285 2.410 20 0 GEADLO O=C(Nc1cc(Br)ccc1F)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000930359795 654707122 /nfs/dbraw/zinc/70/71/22/654707122.db2.gz FLXFNGZXHGORMY-DOMZBBRYSA-N 1 2 387.249 2.407 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000910924190 654714192 /nfs/dbraw/zinc/71/41/92/654714192.db2.gz BHPNLTHCOLVNBP-QWHCGFSZSA-N 1 2 382.917 2.173 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000910924190 654714193 /nfs/dbraw/zinc/71/41/93/654714193.db2.gz BHPNLTHCOLVNBP-QWHCGFSZSA-N 1 2 382.917 2.173 20 0 GEADLO COC(=O)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccc(Br)cc1 ZINC000911293731 654721793 /nfs/dbraw/zinc/72/17/93/654721793.db2.gz URLFBZQMFROSKF-LSDHHAIUSA-N 1 2 392.253 2.130 20 0 GEADLO Cc1cc(C[NH+]2CCC(n3nncc3I)CC2)c(C)nn1 ZINC000931016023 654726493 /nfs/dbraw/zinc/72/64/93/654726493.db2.gz WZZVEYLFOQNXJK-UHFFFAOYSA-N 1 2 398.252 2.127 20 0 GEADLO COc1cc(CNC(=O)/C=C(\C)C[NH+]2CCOCC2)c(Br)cc1O ZINC000911608117 654727595 /nfs/dbraw/zinc/72/75/95/654727595.db2.gz ZLGSLQZAHNKXDZ-KPKJPENVSA-N 1 2 399.285 2.058 20 0 GEADLO Cn1[nH]c(=O)c2c1C[N@@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)CC2 ZINC000931194855 654732976 /nfs/dbraw/zinc/73/29/76/654732976.db2.gz DYYSANARQBRWJE-CQSZACIVSA-N 1 2 391.269 2.052 20 0 GEADLO Cn1[nH]c(=O)c2c1C[N@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)CC2 ZINC000931194855 654732979 /nfs/dbraw/zinc/73/29/79/654732979.db2.gz DYYSANARQBRWJE-CQSZACIVSA-N 1 2 391.269 2.052 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931196809 654733007 /nfs/dbraw/zinc/73/30/07/654733007.db2.gz KOLMHAPISDAJKA-SNVBAGLBSA-N 1 2 379.258 2.274 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931196809 654733011 /nfs/dbraw/zinc/73/30/11/654733011.db2.gz KOLMHAPISDAJKA-SNVBAGLBSA-N 1 2 379.258 2.274 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931196807 654733036 /nfs/dbraw/zinc/73/30/36/654733036.db2.gz KOLMHAPISDAJKA-JTQLQIEISA-N 1 2 379.258 2.274 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931196807 654733040 /nfs/dbraw/zinc/73/30/40/654733040.db2.gz KOLMHAPISDAJKA-JTQLQIEISA-N 1 2 379.258 2.274 20 0 GEADLO CC(=O)N1CCC([N@@H+]2CCN(Cc3ccc(Br)cc3)C(=O)C2)CC1 ZINC000931378028 654740069 /nfs/dbraw/zinc/74/00/69/654740069.db2.gz WVCIJVOXDUTPHA-UHFFFAOYSA-N 1 2 394.313 2.104 20 0 GEADLO CC(=O)N1CCC([N@H+]2CCN(Cc3ccc(Br)cc3)C(=O)C2)CC1 ZINC000931378028 654740073 /nfs/dbraw/zinc/74/00/73/654740073.db2.gz WVCIJVOXDUTPHA-UHFFFAOYSA-N 1 2 394.313 2.104 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2cc(Br)c3nccnc3c2)CCO1 ZINC000931417442 654741789 /nfs/dbraw/zinc/74/17/89/654741789.db2.gz WEMORJKFDRJPBQ-UHFFFAOYSA-N 1 2 393.285 2.233 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2cc(Br)c3nccnc3c2)CCO1 ZINC000931417442 654741791 /nfs/dbraw/zinc/74/17/91/654741791.db2.gz WEMORJKFDRJPBQ-UHFFFAOYSA-N 1 2 393.285 2.233 20 0 GEADLO [NH3+][C@@H](CC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)C(F)F ZINC000912235256 654747294 /nfs/dbraw/zinc/74/72/94/654747294.db2.gz VMGTXZHPDOFTLH-LBPRGKRZSA-N 1 2 380.222 2.260 20 0 GEADLO COC1(OC)CC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H]1O ZINC000931636401 654750038 /nfs/dbraw/zinc/75/00/38/654750038.db2.gz UCHINJHTMXQSII-GJZGRUSLSA-N 1 2 389.279 2.154 20 0 GEADLO COC1(OC)CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H]1O ZINC000931636401 654750042 /nfs/dbraw/zinc/75/00/42/654750042.db2.gz UCHINJHTMXQSII-GJZGRUSLSA-N 1 2 389.279 2.154 20 0 GEADLO Cc1ccc(NC(=O)NCc2nc(C[NH+](C)C)cs2)c(S(C)(=O)=O)c1 ZINC000931691272 654753757 /nfs/dbraw/zinc/75/37/57/654753757.db2.gz NDTFXFZJYWACMS-UHFFFAOYSA-N 1 2 382.511 2.238 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCc3ccc(Br)c(F)c3C2)C1 ZINC000932014776 654764151 /nfs/dbraw/zinc/76/41/51/654764151.db2.gz ZUVXUDHLZMADFB-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCc3ccc(Br)c(F)c3C2)C1 ZINC000932014776 654764154 /nfs/dbraw/zinc/76/41/54/654764154.db2.gz ZUVXUDHLZMADFB-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO C[C@@H](NC(=O)c1cc2cc(Br)cnc2n1C)[C@H](C)[NH+]1CCOCC1 ZINC000932054234 654764822 /nfs/dbraw/zinc/76/48/22/654764822.db2.gz IOZXJBZQGWEVHM-NEPJUHHUSA-N 1 2 395.301 2.175 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)[C@@H](CO)C1 ZINC000912741550 654766180 /nfs/dbraw/zinc/76/61/80/654766180.db2.gz XERIILJLXVWGLZ-SNVBAGLBSA-N 1 2 381.192 2.216 20 0 GEADLO C[N@H+]1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)[C@@H](CO)C1 ZINC000912741550 654766183 /nfs/dbraw/zinc/76/61/83/654766183.db2.gz XERIILJLXVWGLZ-SNVBAGLBSA-N 1 2 381.192 2.216 20 0 GEADLO Cn1ncc2c1nc(C[NH2+][C@H]1CCOc3ccc(Br)cc31)[nH]c2=O ZINC000932205687 654770046 /nfs/dbraw/zinc/77/00/46/654770046.db2.gz GQVMGSQEYLZBGF-LBPRGKRZSA-N 1 2 390.241 2.445 20 0 GEADLO C/C(=C/C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C[NH+]1CCOCC1 ZINC000913425759 654791525 /nfs/dbraw/zinc/79/15/25/654791525.db2.gz DJHSNEJJIGQJLA-NSUGEHCBSA-N 1 2 391.309 2.482 20 0 GEADLO CO[C@H](C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)c1ccc(Br)s1 ZINC000913441460 654791953 /nfs/dbraw/zinc/79/19/53/654791953.db2.gz MELQMQIHGWMKOZ-MFKMUULPSA-N 1 2 385.287 2.094 20 0 GEADLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c(Br)c1 ZINC000913442059 654792232 /nfs/dbraw/zinc/79/22/32/654792232.db2.gz BMTHVAJTMMYTCM-DOMZBBRYSA-N 1 2 393.285 2.421 20 0 GEADLO O=C(c1ccc(Cn2cc(Cl)cn2)s1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913441487 654792267 /nfs/dbraw/zinc/79/22/67/654792267.db2.gz MSTDBPJYJXFTMC-CQSZACIVSA-N 1 2 376.873 2.156 20 0 GEADLO O=C(CCc1cc(Br)ccc1F)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913449369 654792548 /nfs/dbraw/zinc/79/25/48/654792548.db2.gz HXFWWABQIDKFCI-HNNXBMFYSA-N 1 2 381.249 2.417 20 0 GEADLO O=C(CCc1ccc(Br)cc1F)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913445872 654792576 /nfs/dbraw/zinc/79/25/76/654792576.db2.gz URGWBBBXYYSWNP-HNNXBMFYSA-N 1 2 381.249 2.417 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913452348 654792731 /nfs/dbraw/zinc/79/27/31/654792731.db2.gz FJXUYNVYHROTHU-XHDPSFHLSA-N 1 2 379.258 2.113 20 0 GEADLO O=C(N1CC[NH2+][C@@H](c2cn[nH]c2)C1)C1(c2ccccc2Br)CC1 ZINC000913450754 654792766 /nfs/dbraw/zinc/79/27/66/654792766.db2.gz FLZBDRQXSHNBBS-OAHLLOKOSA-N 1 2 375.270 2.377 20 0 GEADLO COc1c(Br)ccc(C)c1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913458015 654793419 /nfs/dbraw/zinc/79/34/19/654793419.db2.gz HYTDVOMXMMHOPV-ZDUSSCGKSA-N 1 2 379.258 2.276 20 0 GEADLO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913458499 654793509 /nfs/dbraw/zinc/79/35/09/654793509.db2.gz OZPVMQUECGANHH-DZGCQCFKSA-N 1 2 391.269 2.211 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)Cc3ccc(Br)c(F)c3)CC[NH2+]2)cn1 ZINC000913467098 654794338 /nfs/dbraw/zinc/79/43/38/654794338.db2.gz JNOSMQXQMNWIDS-OAHLLOKOSA-N 1 2 381.249 2.037 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)C3(c4cccc(Br)c4)CC3)CC[NH2+]2)cn1 ZINC000913472794 654794480 /nfs/dbraw/zinc/79/44/80/654794480.db2.gz HFWRXLWWLAYVFG-MRXNPFEDSA-N 1 2 389.297 2.387 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3cc(F)c(F)cc3Br)CC[NH2+]2)cn1 ZINC000913469195 654794584 /nfs/dbraw/zinc/79/45/84/654794584.db2.gz XDAVZOPDXPTCEW-CQSZACIVSA-N 1 2 385.212 2.248 20 0 GEADLO Cc1csc(SCc2ccccc2C(=O)N2CC[N@@H+](C)[C@H](CO)C2)n1 ZINC000913553440 654797756 /nfs/dbraw/zinc/79/77/56/654797756.db2.gz GVVIHDXPDOZLGI-HNNXBMFYSA-N 1 2 377.535 2.492 20 0 GEADLO Cc1csc(SCc2ccccc2C(=O)N2CC[N@H+](C)[C@H](CO)C2)n1 ZINC000913553440 654797758 /nfs/dbraw/zinc/79/77/58/654797758.db2.gz GVVIHDXPDOZLGI-HNNXBMFYSA-N 1 2 377.535 2.492 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCc2cc(F)c(Br)cc2C1 ZINC000933138496 654803477 /nfs/dbraw/zinc/80/34/77/654803477.db2.gz PUFDKCTUPBNMFE-BXUZGUMPSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@H+]1CCc2cc(F)c(Br)cc2C1 ZINC000933138496 654803479 /nfs/dbraw/zinc/80/34/79/654803479.db2.gz PUFDKCTUPBNMFE-BXUZGUMPSA-N 1 2 376.266 2.359 20 0 GEADLO CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000933224977 654805444 /nfs/dbraw/zinc/80/54/44/654805444.db2.gz ZCMQZVKUEIEXBK-HNNXBMFYSA-N 1 2 382.302 2.008 20 0 GEADLO CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000933224977 654805446 /nfs/dbraw/zinc/80/54/46/654805446.db2.gz ZCMQZVKUEIEXBK-HNNXBMFYSA-N 1 2 382.302 2.008 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000913899765 654814549 /nfs/dbraw/zinc/81/45/49/654814549.db2.gz HJCDFSIYWMPHLT-KRWDZBQOSA-N 1 2 393.285 2.339 20 0 GEADLO C[C@@](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)(C1CC1)C(F)(F)F ZINC000933593763 654817661 /nfs/dbraw/zinc/81/76/61/654817661.db2.gz VACQSPIACSDBOE-HUUCEWRRSA-N 1 2 381.464 2.225 20 0 GEADLO O=C(c1nc(Br)c2ccccn21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000933659266 654819413 /nfs/dbraw/zinc/81/94/13/654819413.db2.gz JIJQJHVSYRZKCP-ZDUSSCGKSA-N 1 2 393.285 2.034 20 0 GEADLO CN(CC[NH+]1CCCC1)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914061047 654824085 /nfs/dbraw/zinc/82/40/85/654824085.db2.gz HVYQFHCJFXEZSF-DEOSSOPVSA-N 1 2 399.460 2.306 20 0 GEADLO C[C@H](CNC(=O)N1CCC[C@H]1c1cncc(Br)c1)[NH+]1CCOCC1 ZINC000914067185 654824418 /nfs/dbraw/zinc/82/44/18/654824418.db2.gz MOFRFSWOZCEBCL-CJNGLKHVSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@H](CNC(=O)N1CCC[C@@H]1c1cncc(Br)c1)[NH+]1CCOCC1 ZINC000914067186 654824462 /nfs/dbraw/zinc/82/44/62/654824462.db2.gz MOFRFSWOZCEBCL-CZUORRHYSA-N 1 2 397.317 2.411 20 0 GEADLO COCCOc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1Br ZINC000933976362 654832346 /nfs/dbraw/zinc/83/23/46/654832346.db2.gz OWHPOEJDMWPSAN-UHFFFAOYSA-N 1 2 383.246 2.493 20 0 GEADLO O=S(=O)(Cc1ccc(F)cc1Br)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000914304903 654843609 /nfs/dbraw/zinc/84/36/09/654843609.db2.gz LOULFDMVQSTOSK-GFCCVEGCSA-N 1 2 388.262 2.219 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000914325090 654845269 /nfs/dbraw/zinc/84/52/69/654845269.db2.gz AFNSAVHQIRUBOF-UHFFFAOYSA-N 1 2 381.889 2.296 20 0 GEADLO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)c2cscc2C(F)F)CC1 ZINC000914388740 654850123 /nfs/dbraw/zinc/85/01/23/654850123.db2.gz BXQRTRHQEDSMLB-UHFFFAOYSA-N 1 2 381.514 2.380 20 0 GEADLO O=S(=O)(Cc1ccsc1Br)N[C@H]1CCn2cc[nH+]c2C1 ZINC000914397728 654850899 /nfs/dbraw/zinc/85/08/99/654850899.db2.gz KJFJMPRAEAQQJE-JTQLQIEISA-N 1 2 376.301 2.142 20 0 GEADLO C[C@H]1CCN(C(=O)c2cc(Br)cn3ncnc23)C[C@@H]1n1cc[nH+]c1 ZINC000934655494 654854866 /nfs/dbraw/zinc/85/48/66/654854866.db2.gz XKBKMRUJSMAXPM-FZMZJTMJSA-N 1 2 389.257 2.412 20 0 GEADLO CN(C1CCCCC1)S(=O)(=O)N1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000914799083 654857657 /nfs/dbraw/zinc/85/76/57/654857657.db2.gz FJLUCBHCVZEDRK-CYBMUJFWSA-N 1 2 384.373 2.307 20 0 GEADLO O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@H+](CCOC3CCSCC3)C[C@H]21 ZINC000934780338 654859238 /nfs/dbraw/zinc/85/92/38/654859238.db2.gz AYJVLCAQRVGELG-ZIAGYGMSSA-N 1 2 387.489 2.340 20 0 GEADLO O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@@H+](CCOC3CCSCC3)C[C@H]21 ZINC000934780338 654859241 /nfs/dbraw/zinc/85/92/41/654859241.db2.gz AYJVLCAQRVGELG-ZIAGYGMSSA-N 1 2 387.489 2.340 20 0 GEADLO OC[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccccc1I ZINC000934825881 654861312 /nfs/dbraw/zinc/86/13/12/654861312.db2.gz GYHDTILIAHVSKM-CQSZACIVSA-N 1 2 389.212 2.280 20 0 GEADLO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2cnc(-c3ccccc3)s2)[N@H+](C)C1 ZINC000915452490 654871396 /nfs/dbraw/zinc/87/13/96/654871396.db2.gz LGEQBNNMLBZHOE-GJZGRUSLSA-N 1 2 381.523 2.150 20 0 GEADLO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2cnc(-c3ccccc3)s2)[N@@H+](C)C1 ZINC000915452490 654871398 /nfs/dbraw/zinc/87/13/98/654871398.db2.gz LGEQBNNMLBZHOE-GJZGRUSLSA-N 1 2 381.523 2.150 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(F)cc(Br)c1C ZINC000935108920 654876185 /nfs/dbraw/zinc/87/61/85/654876185.db2.gz YAFXLHCMUQPNCS-ZDUSSCGKSA-N 1 2 384.205 2.134 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(F)cc(Br)c1C ZINC000935108920 654876188 /nfs/dbraw/zinc/87/61/88/654876188.db2.gz YAFXLHCMUQPNCS-ZDUSSCGKSA-N 1 2 384.205 2.134 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N[C@H]1CCn2cc[nH+]c2C1 ZINC000935488229 654896632 /nfs/dbraw/zinc/89/66/32/654896632.db2.gz LZMWFOAXCPHNGV-WCQYABFASA-N 1 2 389.253 2.203 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc2cc(Br)cnc2n1C ZINC000935713386 654911999 /nfs/dbraw/zinc/91/19/99/654911999.db2.gz RFNARNLDBPBZCE-GFCCVEGCSA-N 1 2 395.301 2.129 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N[C@H]1CCc2c[nH+]cn2C1 ZINC000935923263 654927416 /nfs/dbraw/zinc/92/74/16/654927416.db2.gz BILLYHOZHDQCSY-SMDDNHRTSA-N 1 2 389.253 2.203 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935931783 654928042 /nfs/dbraw/zinc/92/80/42/654928042.db2.gz FBHMKASQMKTUCH-TZMCWYRMSA-N 1 2 393.285 2.032 20 0 GEADLO COc1nnc(Cl)cc1C(F)(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676391 719565764 /nfs/dbraw/zinc/56/57/64/719565764.db2.gz DNHWQMMPRYCBNA-UHFFFAOYSA-N 1 2 396.785 2.479 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)cc1Cl ZINC001164704533 719841167 /nfs/dbraw/zinc/84/11/67/719841167.db2.gz RSEKHIHMYXLNSE-ZBEGNZNMSA-N 1 2 389.283 2.016 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1[C@H](F)c1ccnc(Cl)c1 ZINC001164698832 719853686 /nfs/dbraw/zinc/85/36/86/719853686.db2.gz DWQXKXLCZCIPTM-ZVZYQTTQSA-N 1 2 385.867 2.431 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(OC(C)C)n1 ZINC001164700450 719858292 /nfs/dbraw/zinc/85/82/92/719858292.db2.gz HEYVJQMFUQFITF-UZLBHIALSA-N 1 2 377.485 2.102 20 0 GEADLO CCOc1ccc(Cl)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164698774 719858320 /nfs/dbraw/zinc/85/83/20/719858320.db2.gz DPAAZBWQPRURLZ-LIRRHRJNSA-N 1 2 397.903 2.366 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(OCC(C)C)n1 ZINC001164701216 719864337 /nfs/dbraw/zinc/86/43/37/719864337.db2.gz FZHCEYHPYIWUKQ-LAUBAEHRSA-N 1 2 391.512 2.349 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2ncc(F)cc2n1 ZINC001164708050 719864792 /nfs/dbraw/zinc/86/47/92/719864792.db2.gz XKCDCGTWEUWQTB-MGPUTAFESA-N 1 2 388.443 2.002 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccncc2)cn1 ZINC001164701177 719866670 /nfs/dbraw/zinc/86/66/70/719866670.db2.gz FRTGWIVWQHVMAB-SIKLNZKXSA-N 1 2 396.491 2.376 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(C(C)(C)C)n1 ZINC001164702304 719871463 /nfs/dbraw/zinc/87/14/63/719871463.db2.gz IDZXSUZYXBVSAU-IERDGZPVSA-N 1 2 390.528 2.315 20 0 GEADLO CCCCc1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ncn1 ZINC001164703796 719875241 /nfs/dbraw/zinc/87/52/41/719875241.db2.gz KNYANYMZGFDPEL-XLIONFOSSA-N 1 2 376.501 2.052 20 0 GEADLO CCOC(=O)c1cnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c(C)c1 ZINC001165010805 721700594 /nfs/dbraw/zinc/70/05/94/721700594.db2.gz MTXYNCAEBNULEQ-UHFFFAOYSA-N 1 2 386.500 2.409 20 0 GEADLO CCOC(=O)c1cnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c(C)c1 ZINC001165010805 721700599 /nfs/dbraw/zinc/70/05/99/721700599.db2.gz MTXYNCAEBNULEQ-UHFFFAOYSA-N 1 2 386.500 2.409 20 0 GEADLO CCOC(=O)c1c(C)ccnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008587 721710154 /nfs/dbraw/zinc/71/01/54/721710154.db2.gz HOQZDVBUNYLMBD-UHFFFAOYSA-N 1 2 386.500 2.409 20 0 GEADLO CCOC(=O)c1c(C)ccnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008587 721710156 /nfs/dbraw/zinc/71/01/56/721710156.db2.gz HOQZDVBUNYLMBD-UHFFFAOYSA-N 1 2 386.500 2.409 20 0 GEADLO CC(C)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164912737 721777877 /nfs/dbraw/zinc/77/78/77/721777877.db2.gz PCJWAAXKXPEVPN-OAQYLSRUSA-N 1 2 383.496 2.103 20 0 GEADLO CC(C)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164912737 721777883 /nfs/dbraw/zinc/77/78/83/721777883.db2.gz PCJWAAXKXPEVPN-OAQYLSRUSA-N 1 2 383.496 2.103 20 0 GEADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4cc(C5CCC5)ncn4)CCO3)C2)c1 ZINC001164913938 721798244 /nfs/dbraw/zinc/79/82/44/721798244.db2.gz IWWQFXVEOQAYKY-JOCHJYFZSA-N 1 2 395.507 2.247 20 0 GEADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4cc(C5CCC5)ncn4)CCO3)C2)c1 ZINC001164913938 721798247 /nfs/dbraw/zinc/79/82/47/721798247.db2.gz IWWQFXVEOQAYKY-JOCHJYFZSA-N 1 2 395.507 2.247 20 0 GEADLO Cc1cc(C(C)C)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914965 721800387 /nfs/dbraw/zinc/80/03/87/721800387.db2.gz SGSRTVJHGJGLBR-QFIPXVFZSA-N 1 2 397.523 2.411 20 0 GEADLO Cc1cc(C(C)C)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914965 721800389 /nfs/dbraw/zinc/80/03/89/721800389.db2.gz SGSRTVJHGJGLBR-QFIPXVFZSA-N 1 2 397.523 2.411 20 0 GEADLO CCc1cc(CC)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914264 721800508 /nfs/dbraw/zinc/80/05/08/721800508.db2.gz LBIAHFHWFRUDQQ-JOCHJYFZSA-N 1 2 397.523 2.104 20 0 GEADLO CCc1cc(CC)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914264 721800509 /nfs/dbraw/zinc/80/05/09/721800509.db2.gz LBIAHFHWFRUDQQ-JOCHJYFZSA-N 1 2 397.523 2.104 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(Cl)nc(N(C)C)n2)CC1 ZINC001164918238 721812195 /nfs/dbraw/zinc/81/21/95/721812195.db2.gz PUKAFHKYMHRKMA-UHFFFAOYSA-N 1 2 375.908 2.142 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)cc(C)c2C(N)=O)CC1 ZINC001164919206 721812632 /nfs/dbraw/zinc/81/26/32/721812632.db2.gz WMHRYILPWWLATH-UHFFFAOYSA-N 1 2 388.903 2.088 20 0 GEADLO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1 ZINC001164918867 721812984 /nfs/dbraw/zinc/81/29/84/721812984.db2.gz UJXZFNWEVHIBON-UHFFFAOYSA-N 1 2 389.887 2.468 20 0 GEADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001165038745 721912209 /nfs/dbraw/zinc/91/22/09/721912209.db2.gz PQUWOXQHXLUSNZ-CYBMUJFWSA-N 1 2 389.830 2.368 20 0 GEADLO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165045018 721920128 /nfs/dbraw/zinc/92/01/28/721920128.db2.gz YJILVQJUHHSYLO-BLLLJJGKSA-N 1 2 394.825 2.236 20 0 GEADLO COc1cc(C)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945860 721976905 /nfs/dbraw/zinc/97/69/05/721976905.db2.gz GSWUIDGITJDPPR-UHFFFAOYSA-N 1 2 380.492 2.370 20 0 GEADLO COc1cc(C)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945860 721976909 /nfs/dbraw/zinc/97/69/09/721976909.db2.gz GSWUIDGITJDPPR-UHFFFAOYSA-N 1 2 380.492 2.370 20 0 GEADLO CCOC(=O)c1ncnc(Cl)c1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055385 722016459 /nfs/dbraw/zinc/01/64/59/722016459.db2.gz HNBNOPUYSWTSIF-UHFFFAOYSA-N 1 2 375.860 2.066 20 0 GEADLO Cc1ccc(-c2noc(C[NH+]3CCN(c4ncnc5c4cnn5C)CC3)n2)cc1 ZINC000014329194 210116409 /nfs/dbraw/zinc/11/64/09/210116409.db2.gz XTYNNSMWPWUGGX-UHFFFAOYSA-N 1 2 390.451 2.044 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cc4ccc(Br)cn4n3)C[C@@H]21 ZINC000482050386 531393516 /nfs/dbraw/zinc/39/35/16/531393516.db2.gz PKNDXHRGNZIAOE-KBPBESRZSA-N 1 2 394.273 2.034 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cc4ccc(Br)cn4n3)C[C@@H]21 ZINC000482050386 531393518 /nfs/dbraw/zinc/39/35/18/531393518.db2.gz PKNDXHRGNZIAOE-KBPBESRZSA-N 1 2 394.273 2.034 20 0 GEADLO C[C@H](CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C[NH+]1CCOCC1 ZINC000151478674 531504699 /nfs/dbraw/zinc/50/46/99/531504699.db2.gz ZKFYQHUETDNHKL-GFCCVEGCSA-N 1 2 381.325 2.381 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000152228810 531538366 /nfs/dbraw/zinc/53/83/66/531538366.db2.gz KPJZQBAFXMBANE-KRWDZBQOSA-N 1 2 397.313 2.403 20 0 GEADLO CNS(=O)(=O)CCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000152484798 531553604 /nfs/dbraw/zinc/55/36/04/531553604.db2.gz LPPOVQKKWLXOBF-IUODEOHRSA-N 1 2 391.331 2.150 20 0 GEADLO CNS(=O)(=O)CCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000152484798 531553608 /nfs/dbraw/zinc/55/36/08/531553608.db2.gz LPPOVQKKWLXOBF-IUODEOHRSA-N 1 2 391.331 2.150 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000152790047 531571871 /nfs/dbraw/zinc/57/18/71/531571871.db2.gz BZXZGSOVEJFNMP-USXIJHARSA-N 1 2 397.313 2.394 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000152790047 531571879 /nfs/dbraw/zinc/57/18/79/531571879.db2.gz BZXZGSOVEJFNMP-USXIJHARSA-N 1 2 397.313 2.394 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000153011289 531584098 /nfs/dbraw/zinc/58/40/98/531584098.db2.gz CLPPGHVDDRRVJP-CABCVRRESA-N 1 2 382.346 2.380 20 0 GEADLO COC(=O)c1sccc1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000022849156 531592544 /nfs/dbraw/zinc/59/25/44/531592544.db2.gz MQBWSUQBGXDSSH-UHFFFAOYSA-N 1 2 379.507 2.353 20 0 GEADLO Cc1nc(S(=O)(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cn1C ZINC000153420972 531598853 /nfs/dbraw/zinc/59/88/53/531598853.db2.gz GASWNSXQVOPSAA-MRXNPFEDSA-N 1 2 382.917 2.497 20 0 GEADLO CS(=O)(=O)Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023735731 531600981 /nfs/dbraw/zinc/60/09/81/531600981.db2.gz PDWYCYFZQPYZPR-UHFFFAOYSA-N 1 2 378.519 2.251 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1Br ZINC000026175002 531616456 /nfs/dbraw/zinc/61/64/56/531616456.db2.gz PDNKCSQRKLRICN-CYBMUJFWSA-N 1 2 379.295 2.492 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1Br ZINC000026175002 531616461 /nfs/dbraw/zinc/61/64/61/531616461.db2.gz PDNKCSQRKLRICN-CYBMUJFWSA-N 1 2 379.295 2.492 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000026958003 531621692 /nfs/dbraw/zinc/62/16/92/531621692.db2.gz SYTNPQUDIZBWRA-CQSZACIVSA-N 1 2 391.331 2.084 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000026958003 531621700 /nfs/dbraw/zinc/62/17/00/531621700.db2.gz SYTNPQUDIZBWRA-CQSZACIVSA-N 1 2 391.331 2.084 20 0 GEADLO CS(=O)(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000028317295 531631295 /nfs/dbraw/zinc/63/12/95/531631295.db2.gz IRBZCXLWXGMTJW-UHFFFAOYSA-N 1 2 379.507 2.078 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000154764895 531631368 /nfs/dbraw/zinc/63/13/68/531631368.db2.gz IVCGESYRNOBOQT-GJZGRUSLSA-N 1 2 382.346 2.380 20 0 GEADLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000030972152 531643771 /nfs/dbraw/zinc/64/37/71/531643771.db2.gz PTEUOAYJBRVIKX-CQSZACIVSA-N 1 2 381.318 2.225 20 0 GEADLO Brc1cc(C[NH+]2CCN(c3ncccn3)CC2)cc2c1OCO2 ZINC000155266689 531670840 /nfs/dbraw/zinc/67/08/40/531670840.db2.gz HGPQRVPRCKNYMA-UHFFFAOYSA-N 1 2 377.242 2.290 20 0 GEADLO O=C(COc1ccc(F)c(Cl)c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000041408300 531662647 /nfs/dbraw/zinc/66/26/47/531662647.db2.gz MIIWAYZCPYFIGP-KRWDZBQOSA-N 1 2 388.892 2.182 20 0 GEADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c(Cl)c1 ZINC000041625412 531664874 /nfs/dbraw/zinc/66/48/74/531664874.db2.gz MJJGSTQEDNFAMB-CQSZACIVSA-N 1 2 387.933 2.157 20 0 GEADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c(Cl)c1 ZINC000041625412 531664882 /nfs/dbraw/zinc/66/48/82/531664882.db2.gz MJJGSTQEDNFAMB-CQSZACIVSA-N 1 2 387.933 2.157 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)ccc1Br ZINC000041637646 531666752 /nfs/dbraw/zinc/66/67/52/531666752.db2.gz ZQPUVQYLTRKMTH-UHFFFAOYSA-N 1 2 391.269 2.473 20 0 GEADLO Cc1cccn2cc(CS(=O)(=O)[C@H](C)C(=O)NCc3cccs3)[nH+]c12 ZINC000046182680 531699564 /nfs/dbraw/zinc/69/95/64/531699564.db2.gz ILUYZLYVZFSGTJ-CYBMUJFWSA-N 1 2 377.491 2.324 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1cc(Br)cs1 ZINC000046480871 531704359 /nfs/dbraw/zinc/70/43/59/531704359.db2.gz FZDIAJKXSPKLNP-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO CC(C)CNC(=O)NC(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911293 531724140 /nfs/dbraw/zinc/72/41/40/531724140.db2.gz QEQNIVAHHFJAPN-HOCLYGCPSA-N 1 2 388.295 2.365 20 0 GEADLO CC(C)CNC(=O)NC(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911293 531724145 /nfs/dbraw/zinc/72/41/45/531724145.db2.gz QEQNIVAHHFJAPN-HOCLYGCPSA-N 1 2 388.295 2.365 20 0 GEADLO CC[C@@H]1CCC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000048058615 531725492 /nfs/dbraw/zinc/72/54/92/531725492.db2.gz DILKGLUOKOFQQF-HZPDHXFCSA-N 1 2 384.567 2.386 20 0 GEADLO CC[C@@H]1CCC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000048058615 531725502 /nfs/dbraw/zinc/72/55/02/531725502.db2.gz DILKGLUOKOFQQF-HZPDHXFCSA-N 1 2 384.567 2.386 20 0 GEADLO Cc1cc(N2CCN(C(=O)CSc3nncs3)CC2)nc(C(C)C)[nH+]1 ZINC000048280310 531728625 /nfs/dbraw/zinc/72/86/25/531728625.db2.gz JAJPWRAATISSPS-UHFFFAOYSA-N 1 2 378.527 2.201 20 0 GEADLO CC(C)(CNC(=O)NCc1ccc(O)c(Br)c1)[NH+]1CCOCC1 ZINC000156102342 531715952 /nfs/dbraw/zinc/71/59/52/531715952.db2.gz CVOYMBUOYUJWLB-UHFFFAOYSA-N 1 2 386.290 2.065 20 0 GEADLO Cn1cc(CCC[NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 ZINC000047660092 531718150 /nfs/dbraw/zinc/71/81/50/531718150.db2.gz AKBDWHBGIOMSPG-UHFFFAOYSA-N 1 2 382.917 2.013 20 0 GEADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000157494422 531743734 /nfs/dbraw/zinc/74/37/34/531743734.db2.gz LGINJQNRFZWXML-GXTWGEPZSA-N 1 2 375.296 2.424 20 0 GEADLO C[C@H](O)C[C@@H]1COCC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000157494422 531743740 /nfs/dbraw/zinc/74/37/40/531743740.db2.gz LGINJQNRFZWXML-GXTWGEPZSA-N 1 2 375.296 2.424 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2cnc3ccccn23)CC1)c1cccs1 ZINC000157579613 531746513 /nfs/dbraw/zinc/74/65/13/531746513.db2.gz FKVJRMRCERBRCJ-UHFFFAOYSA-N 1 2 376.507 2.339 20 0 GEADLO O=S(=O)(CC[N@H+]1CCC[C@H](CCO)C1)c1ccc(Br)cc1 ZINC000051916766 531747070 /nfs/dbraw/zinc/74/70/70/531747070.db2.gz VGBUVTYPWHGUON-CYBMUJFWSA-N 1 2 376.316 2.317 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@H](CCO)C1)c1ccc(Br)cc1 ZINC000051916766 531747084 /nfs/dbraw/zinc/74/70/84/531747084.db2.gz VGBUVTYPWHGUON-CYBMUJFWSA-N 1 2 376.316 2.317 20 0 GEADLO CC(C)C(=O)NCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000157624045 531748860 /nfs/dbraw/zinc/74/88/60/531748860.db2.gz PTTSHPYSRCQOND-CYBMUJFWSA-N 1 2 384.318 2.330 20 0 GEADLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000157624045 531748865 /nfs/dbraw/zinc/74/88/65/531748865.db2.gz PTTSHPYSRCQOND-CYBMUJFWSA-N 1 2 384.318 2.330 20 0 GEADLO COC(=O)c1sc(NC[C@@]2([NH+]3CCOCC3)CCSC2)nc1Cl ZINC000053560852 531766016 /nfs/dbraw/zinc/76/60/16/531766016.db2.gz ARIBDHQVRNPUKK-AWEZNQCLSA-N 1 2 377.919 2.203 20 0 GEADLO Cc1c(C(=O)N(C)Cc2[nH+]ccn2C)nnn1-c1cccc(Br)c1 ZINC000055041775 531780722 /nfs/dbraw/zinc/78/07/22/531780722.db2.gz HFBPYXIQJSWSDA-UHFFFAOYSA-N 1 2 389.257 2.344 20 0 GEADLO NC(=O)c1csc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000054139200 531772818 /nfs/dbraw/zinc/77/28/18/531772818.db2.gz ZSRASMPOLMEGLY-UHFFFAOYSA-N 1 2 379.239 2.187 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)N2CC[NH+](CCC(C)(C)C)CC2)s1 ZINC000055301075 531790030 /nfs/dbraw/zinc/79/00/30/531790030.db2.gz PVWTWESCJCHTCE-UHFFFAOYSA-N 1 2 387.571 2.127 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCSc3nnnn3C)n2)C1 ZINC000056136182 531808150 /nfs/dbraw/zinc/80/81/50/531808150.db2.gz IUJGNGYKMDPLNJ-LLVKDONJSA-N 1 2 381.531 2.019 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCSc3nnnn3C)n2)C1 ZINC000056136182 531808153 /nfs/dbraw/zinc/80/81/53/531808153.db2.gz IUJGNGYKMDPLNJ-LLVKDONJSA-N 1 2 381.531 2.019 20 0 GEADLO O=S(=O)(c1cccc2nsnc21)N1CC[NH+](CCc2cccs2)CC1 ZINC000057018887 531816998 /nfs/dbraw/zinc/81/69/98/531816998.db2.gz TUJSTUHNDONEHA-UHFFFAOYSA-N 1 2 394.547 2.302 20 0 GEADLO COc1cccc(Nc2nnc(SCC(=O)N3CC[NH+](C)CC3)s2)c1 ZINC000058740372 531835355 /nfs/dbraw/zinc/83/53/55/531835355.db2.gz RHQLCDLQXGBIJG-UHFFFAOYSA-N 1 2 379.511 2.156 20 0 GEADLO CC(C)(C)OCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000058396062 531831485 /nfs/dbraw/zinc/83/14/85/531831485.db2.gz MNTSGHPTWWNOLM-UHFFFAOYSA-N 1 2 380.432 2.225 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058506821 531831737 /nfs/dbraw/zinc/83/17/37/531831737.db2.gz CMWCHNNKPNZORG-UHFFFAOYSA-N 1 2 384.479 2.376 20 0 GEADLO C[C@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000162343702 531841593 /nfs/dbraw/zinc/84/15/93/531841593.db2.gz QTTORCCTGPWTDX-ZDUSSCGKSA-N 1 2 390.311 2.391 20 0 GEADLO Nc1ccnc(CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)n1 ZINC000162457937 531843992 /nfs/dbraw/zinc/84/39/92/531843992.db2.gz JXIMXNCPIZMGIK-INIZCTEOSA-N 1 2 390.285 2.275 20 0 GEADLO C[C@@H](C[NH+]1CCN(Cc2ccc(Br)cc2)CC1)CS(C)(=O)=O ZINC000163992329 531867665 /nfs/dbraw/zinc/86/76/65/531867665.db2.gz RNWUVZPJAKEALH-AWEZNQCLSA-N 1 2 389.359 2.247 20 0 GEADLO COc1cccc(SCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000063697745 531858359 /nfs/dbraw/zinc/85/83/59/531858359.db2.gz JIZIKEMUCWTREY-SFHVURJKSA-N 1 2 382.551 2.111 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN([C@@H](C(N)=O)c3cccc(Br)c3)CC2)S1 ZINC000163587427 531860944 /nfs/dbraw/zinc/86/09/44/531860944.db2.gz HQGIBFGWVIHINP-SMDDNHRTSA-N 1 2 397.342 2.084 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN([C@H](C(N)=O)c3cccc(Br)c3)CC2)S1 ZINC000163587242 531861525 /nfs/dbraw/zinc/86/15/25/531861525.db2.gz HQGIBFGWVIHINP-FZMZJTMJSA-N 1 2 397.342 2.084 20 0 GEADLO O=C(Nc1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000163733217 531862800 /nfs/dbraw/zinc/86/28/00/531862800.db2.gz DNRINOUHGSCKMR-GFCCVEGCSA-N 1 2 386.279 2.255 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)CC[N@@H+]1CCOC ZINC000166019708 531875636 /nfs/dbraw/zinc/87/56/36/531875636.db2.gz DOJPAKIQAIRMDV-GFCCVEGCSA-N 1 2 380.432 2.225 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)CC[N@H+]1CCOC ZINC000166019708 531875643 /nfs/dbraw/zinc/87/56/43/531875643.db2.gz DOJPAKIQAIRMDV-GFCCVEGCSA-N 1 2 380.432 2.225 20 0 GEADLO CC(C)C[NH+]1CCN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)CC1 ZINC000067317560 531882996 /nfs/dbraw/zinc/88/29/96/531882996.db2.gz QPDSUFCHKIBYIK-UHFFFAOYSA-N 1 2 375.441 2.488 20 0 GEADLO CCc1nc(CN(C)C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cs1 ZINC000067754902 531889149 /nfs/dbraw/zinc/88/91/49/531889149.db2.gz NJHDBOOBZGLGFU-QGZVFWFLSA-N 1 2 384.571 2.055 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000171419026 531905995 /nfs/dbraw/zinc/90/59/95/531905995.db2.gz CQIHDNGWNLPCOW-UHFFFAOYSA-N 1 2 393.285 2.243 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000068968461 531907271 /nfs/dbraw/zinc/90/72/71/531907271.db2.gz SDSKBJVWHVVYDV-NSHDSACASA-N 1 2 391.324 2.402 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000068968461 531907275 /nfs/dbraw/zinc/90/72/75/531907275.db2.gz SDSKBJVWHVVYDV-NSHDSACASA-N 1 2 391.324 2.402 20 0 GEADLO C[C@@H](NC(=O)NCc1ccc(Br)c(F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000171668638 531909687 /nfs/dbraw/zinc/90/96/87/531909687.db2.gz ZJRWCIPMCNYDSX-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069868234 531912898 /nfs/dbraw/zinc/91/28/98/531912898.db2.gz JLBFMHLIDLXEDG-GFCCVEGCSA-N 1 2 394.324 2.121 20 0 GEADLO CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000171945591 531924800 /nfs/dbraw/zinc/92/48/00/531924800.db2.gz QKECIAAOOQGNIM-LBPRGKRZSA-N 1 2 375.416 2.442 20 0 GEADLO CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000171945591 531924805 /nfs/dbraw/zinc/92/48/05/531924805.db2.gz QKECIAAOOQGNIM-LBPRGKRZSA-N 1 2 375.416 2.442 20 0 GEADLO Cc1cccc2[nH+]c(CNC(=O)c3cnn4cc(Br)cnc34)cn21 ZINC000094127054 531932334 /nfs/dbraw/zinc/93/23/34/531932334.db2.gz HXSXCMXHKOKQHF-UHFFFAOYSA-N 1 2 385.225 2.378 20 0 GEADLO COCCCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000172173299 531937744 /nfs/dbraw/zinc/93/77/44/531937744.db2.gz RATWBKDQIBKZOC-UHFFFAOYSA-N 1 2 391.331 2.182 20 0 GEADLO CCS[C@H]1CCCC[N@H+](CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000112089826 531944166 /nfs/dbraw/zinc/94/41/66/531944166.db2.gz XPHJKALAXBVMTL-SJORKVTESA-N 1 2 390.615 2.266 20 0 GEADLO CCS[C@H]1CCCC[N@@H+](CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000112089826 531944170 /nfs/dbraw/zinc/94/41/70/531944170.db2.gz XPHJKALAXBVMTL-SJORKVTESA-N 1 2 390.615 2.266 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCCC[C@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000112090373 531944992 /nfs/dbraw/zinc/94/49/92/531944992.db2.gz PNYIEOKEZOIXDE-SJORKVTESA-N 1 2 390.615 2.410 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCCC[C@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000112090373 531944997 /nfs/dbraw/zinc/94/49/97/531944997.db2.gz PNYIEOKEZOIXDE-SJORKVTESA-N 1 2 390.615 2.410 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](OCCO)C1)Nc1ccc(Br)cc1F ZINC000172302540 531946250 /nfs/dbraw/zinc/94/62/50/531946250.db2.gz MRMKXNUJBKMYBE-GFCCVEGCSA-N 1 2 375.238 2.000 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](OCCO)C1)Nc1ccc(Br)cc1F ZINC000172302540 531946254 /nfs/dbraw/zinc/94/62/54/531946254.db2.gz MRMKXNUJBKMYBE-GFCCVEGCSA-N 1 2 375.238 2.000 20 0 GEADLO COc1cc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc(OC)c1Br ZINC000114855057 531957753 /nfs/dbraw/zinc/95/77/53/531957753.db2.gz FVAPSMWKBOEWKE-ZDUSSCGKSA-N 1 2 399.285 2.059 20 0 GEADLO COc1cc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc(OC)c1Br ZINC000114855057 531957758 /nfs/dbraw/zinc/95/77/58/531957758.db2.gz FVAPSMWKBOEWKE-ZDUSSCGKSA-N 1 2 399.285 2.059 20 0 GEADLO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000172530023 531958457 /nfs/dbraw/zinc/95/84/57/531958457.db2.gz NDPPLGUYYXZZCC-UHFFFAOYSA-N 1 2 381.523 2.138 20 0 GEADLO CS(=O)(=O)c1cccc(OCC[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000172530023 531958461 /nfs/dbraw/zinc/95/84/61/531958461.db2.gz NDPPLGUYYXZZCC-UHFFFAOYSA-N 1 2 381.523 2.138 20 0 GEADLO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172763063 531966694 /nfs/dbraw/zinc/96/66/94/531966694.db2.gz URIVBFWPQGGDAT-CQSZACIVSA-N 1 2 378.270 2.477 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000119785663 531973130 /nfs/dbraw/zinc/97/31/30/531973130.db2.gz JDOZFDPWMXFIIO-UHFFFAOYSA-N 1 2 385.649 2.433 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[NH+]2CCCCC2)c(F)c1Cl ZINC000173031945 531981970 /nfs/dbraw/zinc/98/19/70/531981970.db2.gz SZNQIBCZILOWIR-UHFFFAOYSA-N 1 2 395.859 2.341 20 0 GEADLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)C1 ZINC000173080674 531986496 /nfs/dbraw/zinc/98/64/96/531986496.db2.gz PIHJLDYPIRXQGT-GFCCVEGCSA-N 1 2 383.539 2.203 20 0 GEADLO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)C1 ZINC000173080674 531986502 /nfs/dbraw/zinc/98/65/02/531986502.db2.gz PIHJLDYPIRXQGT-GFCCVEGCSA-N 1 2 383.539 2.203 20 0 GEADLO CCOC(=O)CC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000120994281 532008434 /nfs/dbraw/zinc/00/84/34/532008434.db2.gz GUGHURQDFSTWQF-UHFFFAOYSA-N 1 2 395.308 2.253 20 0 GEADLO Cn1cc(S(=O)(=O)NCC[N@H+](C)Cc2cccc(Cl)c2Cl)cn1 ZINC000173451653 532012845 /nfs/dbraw/zinc/01/28/45/532012845.db2.gz ORQKWYVGABVVCN-UHFFFAOYSA-N 1 2 377.297 2.137 20 0 GEADLO Cn1cc(S(=O)(=O)NCC[N@@H+](C)Cc2cccc(Cl)c2Cl)cn1 ZINC000173451653 532012852 /nfs/dbraw/zinc/01/28/52/532012852.db2.gz ORQKWYVGABVVCN-UHFFFAOYSA-N 1 2 377.297 2.137 20 0 GEADLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2sccc2Br)C[C@H](C)O1 ZINC000121181040 532016469 /nfs/dbraw/zinc/01/64/69/532016469.db2.gz XFKQXLOWHZDEBU-QWRGUYRKSA-N 1 2 397.360 2.288 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173541350 532017705 /nfs/dbraw/zinc/01/77/05/532017705.db2.gz YTCLJFAZCKURIM-LBPRGKRZSA-N 1 2 379.309 2.336 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173541334 532017917 /nfs/dbraw/zinc/01/79/17/532017917.db2.gz YTCLJFAZCKURIM-GFCCVEGCSA-N 1 2 379.309 2.336 20 0 GEADLO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173543074 532018287 /nfs/dbraw/zinc/01/82/87/532018287.db2.gz PFAMIZFZJOOZKE-ZDUSSCGKSA-N 1 2 378.416 2.048 20 0 GEADLO COc1ccc(Br)cc1CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000173557506 532019459 /nfs/dbraw/zinc/01/94/59/532019459.db2.gz XPAKCRASRWIJDU-OLZOCXBDSA-N 1 2 385.302 2.226 20 0 GEADLO Ic1ccc(C[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000173613929 532022377 /nfs/dbraw/zinc/02/23/77/532022377.db2.gz FRIILHISDNCBKR-UHFFFAOYSA-N 1 2 380.233 2.403 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1SCCc2ccccc21 ZINC000173760944 532030616 /nfs/dbraw/zinc/03/06/16/532030616.db2.gz DTVXQPJVVGRHRG-HKUYNNGSSA-N 1 2 378.563 2.341 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000121545704 532034310 /nfs/dbraw/zinc/03/43/10/532034310.db2.gz CUNXSKFTAMJRSU-DYVFJYSZSA-N 1 2 397.313 2.493 20 0 GEADLO C[C@H](C(=O)NCCc1cc(Cl)ccc1Br)[NH+]1CCN(C)CC1 ZINC000121617378 532038484 /nfs/dbraw/zinc/03/84/84/532038484.db2.gz ZYJTXSHWOAZEAH-GFCCVEGCSA-N 1 2 388.737 2.397 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1F)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173896225 532040116 /nfs/dbraw/zinc/04/01/16/532040116.db2.gz YKIHNWYPAZBQSY-AWEZNQCLSA-N 1 2 376.881 2.355 20 0 GEADLO CNC(=O)C(C)(C)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000122083481 532057114 /nfs/dbraw/zinc/05/71/14/532057114.db2.gz TZWRRJWCGWNZTR-HNNXBMFYSA-N 1 2 396.329 2.474 20 0 GEADLO C[C@H](NC(=O)N(C)Cc1nc(C(F)(F)F)cs1)[C@H](C)[NH+]1CCOCC1 ZINC000174243197 532058123 /nfs/dbraw/zinc/05/81/23/532058123.db2.gz SVGIIGIGLOXRFG-QWRGUYRKSA-N 1 2 380.436 2.413 20 0 GEADLO CC(C)[C@@H]1C[N@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CCS1 ZINC000174334124 532061473 /nfs/dbraw/zinc/06/14/73/532061473.db2.gz PIQJBAPYGMYRJN-SJORKVTESA-N 1 2 388.599 2.018 20 0 GEADLO CC(C)[C@@H]1C[N@@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CCS1 ZINC000174334124 532061474 /nfs/dbraw/zinc/06/14/74/532061474.db2.gz PIQJBAPYGMYRJN-SJORKVTESA-N 1 2 388.599 2.018 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000174376445 532062875 /nfs/dbraw/zinc/06/28/75/532062875.db2.gz ZKDCVHGQUIFSHS-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](CCC(F)(F)F)C[C@H](O)CO)c1ccc(Cl)cc1 ZINC000122231025 532062123 /nfs/dbraw/zinc/06/21/23/532062123.db2.gz LJBVSUVADNEYGL-RISCZKNCSA-N 1 2 382.810 2.125 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c1ccc(Cl)cc1 ZINC000122231025 532062130 /nfs/dbraw/zinc/06/21/30/532062130.db2.gz LJBVSUVADNEYGL-RISCZKNCSA-N 1 2 382.810 2.125 20 0 GEADLO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174484037 532066377 /nfs/dbraw/zinc/06/63/77/532066377.db2.gz COCUCTOTNWTDDY-CYBMUJFWSA-N 1 2 393.285 2.262 20 0 GEADLO CCc1nsc(N2CCC[N@@H+]([C@@H](C)C(=O)NCc3cccs3)CC2)n1 ZINC000174520374 532068411 /nfs/dbraw/zinc/06/84/11/532068411.db2.gz AXXSFRONIXPVGW-ZDUSSCGKSA-N 1 2 379.555 2.379 20 0 GEADLO CCc1nsc(N2CCC[N@H+]([C@@H](C)C(=O)NCc3cccs3)CC2)n1 ZINC000174520374 532068419 /nfs/dbraw/zinc/06/84/19/532068419.db2.gz AXXSFRONIXPVGW-ZDUSSCGKSA-N 1 2 379.555 2.379 20 0 GEADLO CC(C)(C)CCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000122395132 532068440 /nfs/dbraw/zinc/06/84/40/532068440.db2.gz WYPMMVKIQNYWKT-UHFFFAOYSA-N 1 2 387.571 2.043 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c(Cl)c1Cl ZINC000122437631 532070214 /nfs/dbraw/zinc/07/02/14/532070214.db2.gz KMGCUPCRBPQDIE-WDEREUQCSA-N 1 2 397.324 2.078 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(Cl)c1Cl ZINC000122437631 532070217 /nfs/dbraw/zinc/07/02/17/532070217.db2.gz KMGCUPCRBPQDIE-WDEREUQCSA-N 1 2 397.324 2.078 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccccc1C(F)(F)F ZINC000122538834 532073751 /nfs/dbraw/zinc/07/37/51/532073751.db2.gz MHZXKSBSFDHCQK-OLZOCXBDSA-N 1 2 378.416 2.237 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccccc1C(F)(F)F ZINC000122538834 532073759 /nfs/dbraw/zinc/07/37/59/532073759.db2.gz MHZXKSBSFDHCQK-OLZOCXBDSA-N 1 2 378.416 2.237 20 0 GEADLO COCCCOC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000122584861 532075716 /nfs/dbraw/zinc/07/57/16/532075716.db2.gz JPZJETFUYVZIQS-UHFFFAOYSA-N 1 2 386.290 2.300 20 0 GEADLO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000123235552 532096667 /nfs/dbraw/zinc/09/66/67/532096667.db2.gz YRNZAJGHPIHFFB-BXUZGUMPSA-N 1 2 378.416 2.002 20 0 GEADLO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000123235552 532096671 /nfs/dbraw/zinc/09/66/71/532096671.db2.gz YRNZAJGHPIHFFB-BXUZGUMPSA-N 1 2 378.416 2.002 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000123240148 532096917 /nfs/dbraw/zinc/09/69/17/532096917.db2.gz JQRKYIGMZJQHCT-HNNXBMFYSA-N 1 2 381.325 2.212 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C)CC1 ZINC000123262833 532096951 /nfs/dbraw/zinc/09/69/51/532096951.db2.gz OTAOPMSSPIRFDP-AWEZNQCLSA-N 1 2 380.432 2.091 20 0 GEADLO COC(=O)C1CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000175522132 532106368 /nfs/dbraw/zinc/10/63/68/532106368.db2.gz GVZIUNOKXLGBDX-UHFFFAOYSA-N 1 2 390.299 2.108 20 0 GEADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000123787030 532107119 /nfs/dbraw/zinc/10/71/19/532107119.db2.gz PHUIIDRBVMVCQL-LBPRGKRZSA-N 1 2 376.463 2.239 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CCOc3cc[nH+]cc32)c1 ZINC000175665152 532111343 /nfs/dbraw/zinc/11/13/43/532111343.db2.gz VUUDZOKIAJOPCK-UHFFFAOYSA-N 1 2 385.239 2.440 20 0 GEADLO COc1ccsc1S(=O)(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000123471342 532099948 /nfs/dbraw/zinc/09/99/48/532099948.db2.gz ZQSPNICNVWDDLT-UHFFFAOYSA-N 1 2 388.555 2.318 20 0 GEADLO O=C(CCc1cc(Cl)ccc1Br)NCC[NH+]1CCOCC1 ZINC000175975170 532120985 /nfs/dbraw/zinc/12/09/85/532120985.db2.gz SSWZZARKUNJZEB-UHFFFAOYSA-N 1 2 375.694 2.484 20 0 GEADLO Cc1c(I)cccc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000123991559 532112085 /nfs/dbraw/zinc/11/20/85/532112085.db2.gz MSHNHMGYIMGDAG-LLVKDONJSA-N 1 2 388.249 2.050 20 0 GEADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2cc(Br)cs2)C1 ZINC000124167994 532116094 /nfs/dbraw/zinc/11/60/94/532116094.db2.gz JAPKEJSUEHNREU-CYBMUJFWSA-N 1 2 388.331 2.070 20 0 GEADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(Br)cs2)C1 ZINC000124167994 532116098 /nfs/dbraw/zinc/11/60/98/532116098.db2.gz JAPKEJSUEHNREU-CYBMUJFWSA-N 1 2 388.331 2.070 20 0 GEADLO CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000176451868 532137900 /nfs/dbraw/zinc/13/79/00/532137900.db2.gz BFOFWOPDFVEUTO-DUOCMMSMSA-N 1 2 383.583 2.485 20 0 GEADLO CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000176451868 532137904 /nfs/dbraw/zinc/13/79/04/532137904.db2.gz BFOFWOPDFVEUTO-DUOCMMSMSA-N 1 2 383.583 2.485 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)Cc1cc(Cl)ccc1Br ZINC000126773858 532150692 /nfs/dbraw/zinc/15/06/92/532150692.db2.gz DYJFIWYWRCIPFR-UHFFFAOYSA-N 1 2 375.694 2.436 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cccnc2Br)CC1 ZINC000126745868 532150987 /nfs/dbraw/zinc/15/09/87/532150987.db2.gz HOHFELHYTCXXKH-UHFFFAOYSA-N 1 2 379.258 2.407 20 0 GEADLO O=C(C[S@@](=O)Cc1cn2cc(Br)ccc2[nH+]1)NC1CCCC1 ZINC000176554857 532140937 /nfs/dbraw/zinc/14/09/37/532140937.db2.gz YWDNUAJYSLBPDS-QFIPXVFZSA-N 1 2 384.299 2.404 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000176585931 532141677 /nfs/dbraw/zinc/14/16/77/532141677.db2.gz WKLQUVIPVGRIBC-HNNXBMFYSA-N 1 2 389.323 2.468 20 0 GEADLO C[C@H](NS(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000125791145 532142644 /nfs/dbraw/zinc/14/26/44/532142644.db2.gz WEFBZPOBKTWLGV-CABZTGNLSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@H](NS(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000125791145 532142648 /nfs/dbraw/zinc/14/26/48/532142648.db2.gz WEFBZPOBKTWLGV-CABZTGNLSA-N 1 2 397.722 2.100 20 0 GEADLO O=C(NCC1(O)CCOCC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000176671056 532144757 /nfs/dbraw/zinc/14/47/57/532144757.db2.gz LGXHTOMLZMLLEZ-MRXNPFEDSA-N 1 2 397.313 2.244 20 0 GEADLO CN(Cc1cc(Br)ccc1Cl)C[C@@H](O)C[NH+]1CCOCC1 ZINC000177351577 532168261 /nfs/dbraw/zinc/16/82/61/532168261.db2.gz CWAPILIBBALGCV-CQSZACIVSA-N 1 2 377.710 2.227 20 0 GEADLO CN(Cc1ccc(Br)cc1Cl)C[C@H](O)C[NH+]1CCOCC1 ZINC000177354762 532168680 /nfs/dbraw/zinc/16/86/80/532168680.db2.gz ZLIFSNDNOWTKBV-AWEZNQCLSA-N 1 2 377.710 2.227 20 0 GEADLO O=C(NCCC[NH+]1CCOCC1)c1cc(Cl)cc(Br)c1O ZINC000176955895 532156978 /nfs/dbraw/zinc/15/69/78/532156978.db2.gz HMMRPKGZRDVWQO-UHFFFAOYSA-N 1 2 377.666 2.260 20 0 GEADLO Cc1nc(C)c(S(=O)(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)s1 ZINC000177084931 532161828 /nfs/dbraw/zinc/16/18/28/532161828.db2.gz WBVLQXKKMMORCC-UHFFFAOYSA-N 1 2 382.511 2.451 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000128214170 532162051 /nfs/dbraw/zinc/16/20/51/532162051.db2.gz JEBLHPVNCONLCF-UHFFFAOYSA-N 1 2 380.794 2.354 20 0 GEADLO CN1C[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC1=O ZINC000129495886 532179662 /nfs/dbraw/zinc/17/96/62/532179662.db2.gz QLKVORGBDYPQDK-RDJZCZTQSA-N 1 2 394.313 2.323 20 0 GEADLO O=C(C[NH+]1CCC(OC[C@@H]2CCCO2)CC1)Nc1ccc(Br)cn1 ZINC000177450239 532171854 /nfs/dbraw/zinc/17/18/54/532171854.db2.gz JYXIKHQFPYKKMK-HNNXBMFYSA-N 1 2 398.301 2.443 20 0 GEADLO O=C(CCCc1ccc(Cl)c(Cl)c1)N(CCO)CC[NH+]1CCOCC1 ZINC000130274193 532191376 /nfs/dbraw/zinc/19/13/76/532191376.db2.gz KFDIARHAFODEQX-UHFFFAOYSA-N 1 2 389.323 2.469 20 0 GEADLO Cn1cc(Br)cc(NC(=O)NCCCNc2cccc[nH+]2)c1=O ZINC000177969505 532187890 /nfs/dbraw/zinc/18/78/90/532187890.db2.gz RZZLZSZVTBCOGZ-UHFFFAOYSA-N 1 2 380.246 2.167 20 0 GEADLO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000131883955 532205104 /nfs/dbraw/zinc/20/51/04/532205104.db2.gz QLUDIWPPEZWHPA-DZGCQCFKSA-N 1 2 383.480 2.430 20 0 GEADLO O=C(CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Nc1ccc(Br)cc1 ZINC000178776308 532212245 /nfs/dbraw/zinc/21/22/45/532212245.db2.gz HZDQOMIOGLGZJR-GFCCVEGCSA-N 1 2 391.269 2.353 20 0 GEADLO COc1cc(C(=O)NCC[N@@H+]2CCOCC2(C)C)sc1Br ZINC000179323704 532228571 /nfs/dbraw/zinc/22/85/71/532228571.db2.gz GRQKIQFZMDUYLQ-UHFFFAOYSA-N 1 2 377.304 2.360 20 0 GEADLO COc1cc(C(=O)NCC[N@H+]2CCOCC2(C)C)sc1Br ZINC000179323704 532228575 /nfs/dbraw/zinc/22/85/75/532228575.db2.gz GRQKIQFZMDUYLQ-UHFFFAOYSA-N 1 2 377.304 2.360 20 0 GEADLO COc1nc(N2CC[NH+](Cc3cnn(C(C)C)c3)CC2)ncc1Br ZINC000179437413 532231910 /nfs/dbraw/zinc/23/19/10/532231910.db2.gz UQTSBIDONJLRRJ-UHFFFAOYSA-N 1 2 395.305 2.347 20 0 GEADLO COC(=O)c1coc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000179193114 532224330 /nfs/dbraw/zinc/22/43/30/532224330.db2.gz SATAXIJLUNGPNE-CQSZACIVSA-N 1 2 386.857 2.301 20 0 GEADLO NC(=O)[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc(Br)c1 ZINC000179219938 532225322 /nfs/dbraw/zinc/22/53/22/532225322.db2.gz PINBSCJNLXBQTQ-RHSMWYFYSA-N 1 2 388.265 2.371 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)[C@@H]2COc3ccc(Br)cc32)CCO1 ZINC000179255408 532226425 /nfs/dbraw/zinc/22/64/25/532226425.db2.gz OLDCXHQUJCWJNI-CQSZACIVSA-N 1 2 383.286 2.152 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)[C@@H]2COc3ccc(Br)cc32)CCO1 ZINC000179255408 532226428 /nfs/dbraw/zinc/22/64/28/532226428.db2.gz OLDCXHQUJCWJNI-CQSZACIVSA-N 1 2 383.286 2.152 20 0 GEADLO Nc1c(Cl)cc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1Cl ZINC000133918695 532245707 /nfs/dbraw/zinc/24/57/07/532245707.db2.gz ISMYUDOSEPYQTC-UHFFFAOYSA-N 1 2 384.267 2.357 20 0 GEADLO NC(=O)C[NH+]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000179835745 532246226 /nfs/dbraw/zinc/24/62/26/532246226.db2.gz GPEFSRZMYMTJJQ-UHFFFAOYSA-N 1 2 380.208 2.071 20 0 GEADLO COc1cccc(Cl)c1CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000134038467 532248487 /nfs/dbraw/zinc/24/84/87/532248487.db2.gz GWDNHMPOONRMKO-GOSISDBHSA-N 1 2 384.929 2.215 20 0 GEADLO CC(C)(CNC(=O)COc1ccc(F)c(Br)c1)[NH+]1CCOCC1 ZINC000179913046 532250325 /nfs/dbraw/zinc/25/03/25/532250325.db2.gz VVRQKYNVQNONSM-UHFFFAOYSA-N 1 2 389.265 2.194 20 0 GEADLO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(Br)c(O)c2)CC1 ZINC000133598908 532238738 /nfs/dbraw/zinc/23/87/38/532238738.db2.gz OAUIHHBHGZVQNE-CYBMUJFWSA-N 1 2 384.318 2.158 20 0 GEADLO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(Br)c(O)c2)CC1 ZINC000133598908 532238741 /nfs/dbraw/zinc/23/87/41/532238741.db2.gz OAUIHHBHGZVQNE-CYBMUJFWSA-N 1 2 384.318 2.158 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2c(F)cccc2Br)CC1 ZINC000180408438 532270976 /nfs/dbraw/zinc/27/09/76/532270976.db2.gz PKGYFOPGLNZZLI-LBPRGKRZSA-N 1 2 384.293 2.373 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)sc1Br ZINC000180052508 532254800 /nfs/dbraw/zinc/25/48/00/532254800.db2.gz HGQSQTZITJUBPX-UHFFFAOYSA-N 1 2 382.349 2.176 20 0 GEADLO O=C(N[C@@H]1CCCCNC1=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000134518347 532257606 /nfs/dbraw/zinc/25/76/06/532257606.db2.gz CIHWLTSVJANWDF-HZPDHXFCSA-N 1 2 394.313 2.371 20 0 GEADLO CS[C@H]1CCCC[N@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000134585558 532258211 /nfs/dbraw/zinc/25/82/11/532258211.db2.gz MYEHIGDZIXISOA-SJORKVTESA-N 1 2 388.599 2.162 20 0 GEADLO CS[C@H]1CCCC[N@@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000134585558 532258215 /nfs/dbraw/zinc/25/82/15/532258215.db2.gz MYEHIGDZIXISOA-SJORKVTESA-N 1 2 388.599 2.162 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)CCOC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180194879 532260727 /nfs/dbraw/zinc/26/07/27/532260727.db2.gz FSUHLJYWIHOAGI-HOTGVXAUSA-N 1 2 393.912 2.027 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)N(C)CCOC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180194879 532260729 /nfs/dbraw/zinc/26/07/29/532260729.db2.gz FSUHLJYWIHOAGI-HOTGVXAUSA-N 1 2 393.912 2.027 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCCOc1ncc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000134767480 532262709 /nfs/dbraw/zinc/26/27/09/532262709.db2.gz IXDHQUAEBKRTQL-NWDGAFQWSA-N 1 2 391.299 2.176 20 0 GEADLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cs1 ZINC000180525363 532274578 /nfs/dbraw/zinc/27/45/78/532274578.db2.gz MFXVPJUDJODTDJ-LLVKDONJSA-N 1 2 382.511 2.203 20 0 GEADLO Cn1cc[nH+]c1CS(=O)(=O)Cc1ccc(I)cc1 ZINC000180625543 532276362 /nfs/dbraw/zinc/27/63/62/532276362.db2.gz XMYLSEKXZFORHN-UHFFFAOYSA-N 1 2 376.219 2.140 20 0 GEADLO O=S(=O)([C@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1)N1CCCC1 ZINC000180755162 532280199 /nfs/dbraw/zinc/28/01/99/532280199.db2.gz QLBCBULAWICLRL-AWEZNQCLSA-N 1 2 380.539 2.273 20 0 GEADLO O=S(=O)([C@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1)N1CCCC1 ZINC000180755162 532280203 /nfs/dbraw/zinc/28/02/03/532280203.db2.gz QLBCBULAWICLRL-AWEZNQCLSA-N 1 2 380.539 2.273 20 0 GEADLO O=C([C@H]1COc2ccc(Br)cc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000136227141 532282556 /nfs/dbraw/zinc/28/25/56/532282556.db2.gz FWXNTBMLOHXSEQ-ZBFHGGJFSA-N 1 2 395.297 2.248 20 0 GEADLO CSC[C@H]1CCC[N@@H+]1CC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C ZINC000135424767 532273718 /nfs/dbraw/zinc/27/37/18/532273718.db2.gz ZNEPNJZUMRSVHN-HZPDHXFCSA-N 1 2 384.567 2.475 20 0 GEADLO CSC[C@H]1CCC[N@H+]1CC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C ZINC000135424767 532273721 /nfs/dbraw/zinc/27/37/21/532273721.db2.gz ZNEPNJZUMRSVHN-HZPDHXFCSA-N 1 2 384.567 2.475 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](N2CCNC2=O)C1)Nc1ccc(Br)cc1F ZINC000138984125 532292483 /nfs/dbraw/zinc/29/24/83/532292483.db2.gz BBGCSZTUYCRXQR-LBPRGKRZSA-N 1 2 399.264 2.016 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](N2CCNC2=O)C1)Nc1ccc(Br)cc1F ZINC000138984125 532292489 /nfs/dbraw/zinc/29/24/89/532292489.db2.gz BBGCSZTUYCRXQR-LBPRGKRZSA-N 1 2 399.264 2.016 20 0 GEADLO CCOCC[NH+]1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000151109741 532307339 /nfs/dbraw/zinc/30/73/39/532307339.db2.gz MXDAOGRRNJWHBW-UHFFFAOYSA-N 1 2 381.325 2.477 20 0 GEADLO CNC(=O)c1cccc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000181064030 532289948 /nfs/dbraw/zinc/28/99/48/532289948.db2.gz OJYBXVNIAYVEDF-INIZCTEOSA-N 1 2 390.281 2.467 20 0 GEADLO CNC(=O)c1cccc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000181064030 532289951 /nfs/dbraw/zinc/28/99/51/532289951.db2.gz OJYBXVNIAYVEDF-INIZCTEOSA-N 1 2 390.281 2.467 20 0 GEADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000182227198 532310550 /nfs/dbraw/zinc/31/05/50/532310550.db2.gz PYTRDWMBFAPREY-CYBMUJFWSA-N 1 2 389.327 2.047 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000182606692 532315454 /nfs/dbraw/zinc/31/54/54/532315454.db2.gz ZCYMEBCUMRXEKG-UHFFFAOYSA-N 1 2 380.897 2.339 20 0 GEADLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183266715 532322637 /nfs/dbraw/zinc/32/26/37/532322637.db2.gz MVDZULXKYOCYAL-GFCCVEGCSA-N 1 2 384.395 2.280 20 0 GEADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183266715 532322638 /nfs/dbraw/zinc/32/26/38/532322638.db2.gz MVDZULXKYOCYAL-GFCCVEGCSA-N 1 2 384.395 2.280 20 0 GEADLO Cc1ccc(CS(=O)(=O)Cc2cccc(S(=O)(=O)N(C)C)c2)c(C)[nH+]1 ZINC000185120685 532336968 /nfs/dbraw/zinc/33/69/68/532336968.db2.gz MTLUMFLODXTZBT-UHFFFAOYSA-N 1 2 382.507 2.064 20 0 GEADLO C[C@H](c1nccs1)N1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000185616159 532338189 /nfs/dbraw/zinc/33/81/89/532338189.db2.gz FUMWOEYNLJXXKC-CQSZACIVSA-N 1 2 379.555 2.315 20 0 GEADLO CSc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1Cl ZINC000185770312 532338629 /nfs/dbraw/zinc/33/86/29/532338629.db2.gz BWXLQTHPQSBLMR-ZDUSSCGKSA-N 1 2 391.990 2.224 20 0 GEADLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000186227467 532340212 /nfs/dbraw/zinc/34/02/12/532340212.db2.gz NJMJFIHVVBBXQL-UHFFFAOYSA-N 1 2 384.395 2.320 20 0 GEADLO CC(C)c1nc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cs1 ZINC000186402899 532340707 /nfs/dbraw/zinc/34/07/07/532340707.db2.gz IPXMXYGJKVFPCG-KGLIPLIRSA-N 1 2 375.560 2.406 20 0 GEADLO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)s1 ZINC000183607807 532326813 /nfs/dbraw/zinc/32/68/13/532326813.db2.gz JHRALQRLYOAFFP-NSHDSACASA-N 1 2 383.461 2.470 20 0 GEADLO Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)s1 ZINC000183607807 532326815 /nfs/dbraw/zinc/32/68/15/532326815.db2.gz JHRALQRLYOAFFP-NSHDSACASA-N 1 2 383.461 2.470 20 0 GEADLO CC(C)OCCS(=O)(=O)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183954166 532330191 /nfs/dbraw/zinc/33/01/91/532330191.db2.gz NALXQCUTYHWHIK-UHFFFAOYSA-N 1 2 376.469 2.497 20 0 GEADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)s1 ZINC000185033818 532336571 /nfs/dbraw/zinc/33/65/71/532336571.db2.gz PJTCMURHTDXZNT-ZFWWWQNUSA-N 1 2 385.555 2.060 20 0 GEADLO C[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C[C@@H](CO)O1 ZINC000187999037 532346245 /nfs/dbraw/zinc/34/62/45/532346245.db2.gz GWDHJUXNJVBHKH-XOKHGSTOSA-N 1 2 397.313 2.194 20 0 GEADLO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000188422664 532348012 /nfs/dbraw/zinc/34/80/12/532348012.db2.gz WHZCFRPAOOMZFA-GFCCVEGCSA-N 1 2 386.290 2.150 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)CCc2c[nH+]cn2C)ccc1Br ZINC000188823363 532349708 /nfs/dbraw/zinc/34/97/08/532349708.db2.gz DXJFEGIPNXTVCH-UHFFFAOYSA-N 1 2 379.258 2.179 20 0 GEADLO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188812406 532349716 /nfs/dbraw/zinc/34/97/16/532349716.db2.gz FSRAOEKHULIGAS-CHWSQXEVSA-N 1 2 387.343 2.455 20 0 GEADLO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188812406 532349717 /nfs/dbraw/zinc/34/97/17/532349717.db2.gz FSRAOEKHULIGAS-CHWSQXEVSA-N 1 2 387.343 2.455 20 0 GEADLO Cc1cc(Br)c2c(c1)C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000189249283 532351576 /nfs/dbraw/zinc/35/15/76/532351576.db2.gz PVWKXYRZQYJLFW-UHFFFAOYSA-N 1 2 380.286 2.446 20 0 GEADLO Cc1cc(Br)c2c(c1)C[N@H+](CCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000189249283 532351577 /nfs/dbraw/zinc/35/15/77/532351577.db2.gz PVWKXYRZQYJLFW-UHFFFAOYSA-N 1 2 380.286 2.446 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(CC(F)(F)F)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000189949799 532354280 /nfs/dbraw/zinc/35/42/80/532354280.db2.gz NNRLUWLPXONGGY-STQMWFEESA-N 1 2 380.432 2.179 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000190364175 532355685 /nfs/dbraw/zinc/35/56/85/532355685.db2.gz NRNMHKBPEFJUMW-OAHLLOKOSA-N 1 2 378.897 2.352 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000190364175 532355686 /nfs/dbraw/zinc/35/56/86/532355686.db2.gz NRNMHKBPEFJUMW-OAHLLOKOSA-N 1 2 378.897 2.352 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2scc(C)c2Br)CC1 ZINC000190904455 532358635 /nfs/dbraw/zinc/35/86/35/532358635.db2.gz BWLZHNSOPCLUQD-UHFFFAOYSA-N 1 2 388.331 2.103 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2scc(C)c2Br)CC1 ZINC000190904455 532358636 /nfs/dbraw/zinc/35/86/36/532358636.db2.gz BWLZHNSOPCLUQD-UHFFFAOYSA-N 1 2 388.331 2.103 20 0 GEADLO [NH3+]CC(F)(F)CNS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647251087 532372731 /nfs/dbraw/zinc/37/27/31/532372731.db2.gz NFOAIWASJYGASH-UHFFFAOYSA-N 1 2 377.638 2.116 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc3c(cc2Br)OCO3)C[C@H](C)O1 ZINC000621979099 532374667 /nfs/dbraw/zinc/37/46/67/532374667.db2.gz OLDZMIWQKUCAHN-TXEJJXNPSA-N 1 2 399.285 2.359 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc3c(cc2Br)OCO3)C[C@H](C)O1 ZINC000621979099 532374675 /nfs/dbraw/zinc/37/46/75/532374675.db2.gz OLDZMIWQKUCAHN-TXEJJXNPSA-N 1 2 399.285 2.359 20 0 GEADLO Cc1cnc(N2CCN(Cc3[nH+]ccn3C)CC2)c(I)c1 ZINC000425221511 532376211 /nfs/dbraw/zinc/37/62/11/532376211.db2.gz GIVMRFODZMOQDW-UHFFFAOYSA-N 1 2 397.264 2.050 20 0 GEADLO COc1cc2[nH+]ccc(NCCCc3n[nH]c(=O)[nH]3)c2cc1Br ZINC000425236216 532377904 /nfs/dbraw/zinc/37/79/04/532377904.db2.gz PNAUBWLWBLQHAC-UHFFFAOYSA-N 1 2 378.230 2.296 20 0 GEADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1N1CCOCC1 ZINC000191609372 532361609 /nfs/dbraw/zinc/36/16/09/532361609.db2.gz IBXCGEYNQOTZHY-MRXNPFEDSA-N 1 2 396.329 2.338 20 0 GEADLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1N1CCOCC1 ZINC000191609372 532361610 /nfs/dbraw/zinc/36/16/10/532361610.db2.gz IBXCGEYNQOTZHY-MRXNPFEDSA-N 1 2 396.329 2.338 20 0 GEADLO CN1CC[N@H+](C)C[C@H]1c1noc([C@@H]2COc3ccc(Br)cc32)n1 ZINC000371915309 532361930 /nfs/dbraw/zinc/36/19/30/532361930.db2.gz MBVSHRYCMFYCPN-OLZOCXBDSA-N 1 2 379.258 2.275 20 0 GEADLO CN1CC[N@@H+](C)C[C@H]1c1noc([C@@H]2COc3ccc(Br)cc32)n1 ZINC000371915309 532361932 /nfs/dbraw/zinc/36/19/32/532361932.db2.gz MBVSHRYCMFYCPN-OLZOCXBDSA-N 1 2 379.258 2.275 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000515389654 532362800 /nfs/dbraw/zinc/36/28/00/532362800.db2.gz YVZHHYWIIJYUOZ-IAQYHMDHSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000515389654 532362807 /nfs/dbraw/zinc/36/28/07/532362807.db2.gz YVZHHYWIIJYUOZ-IAQYHMDHSA-N 1 2 391.269 2.051 20 0 GEADLO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647036943 532365375 /nfs/dbraw/zinc/36/53/75/532365375.db2.gz DZLHOVPZDULQSF-RISCZKNCSA-N 1 2 382.233 2.197 20 0 GEADLO NS(=O)(=O)CC1CC[NH+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000463113038 532366554 /nfs/dbraw/zinc/36/65/54/532366554.db2.gz XLQDWZGZPUXHNB-UHFFFAOYSA-N 1 2 388.287 2.091 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(=O)n1C ZINC000277960547 532367172 /nfs/dbraw/zinc/36/71/72/532367172.db2.gz HDKGSDBVRZLFJA-NSHDSACASA-N 1 2 379.258 2.199 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)Cc3cc[nH]c(=O)c3Br)sc2C1 ZINC000277950841 532367755 /nfs/dbraw/zinc/36/77/55/532367755.db2.gz HEGNMVJAHTUAHE-UHFFFAOYSA-N 1 2 383.271 2.175 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)Cc3cc[nH]c(=O)c3Br)sc2C1 ZINC000277950841 532367763 /nfs/dbraw/zinc/36/77/63/532367763.db2.gz HEGNMVJAHTUAHE-UHFFFAOYSA-N 1 2 383.271 2.175 20 0 GEADLO CC(C)(C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)S(=O)(=O)C1CC1 ZINC000294577243 532369669 /nfs/dbraw/zinc/36/96/69/532369669.db2.gz YJVCRIOFVFMFAB-UHFFFAOYSA-N 1 2 381.885 2.498 20 0 GEADLO CC(C)[NH+]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000294602339 532370729 /nfs/dbraw/zinc/37/07/29/532370729.db2.gz ZZDPZXKHJGYZOL-UHFFFAOYSA-N 1 2 382.711 2.212 20 0 GEADLO Cc1cc(S(=O)(=O)NCc2ccc[nH+]c2N2CCOCC2)sc1Cl ZINC000191871055 532371281 /nfs/dbraw/zinc/37/12/81/532371281.db2.gz BNQBYNFOIBFQOD-UHFFFAOYSA-N 1 2 387.914 2.420 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cc(OC)ccc2Cl)CC1 ZINC000425198311 532371769 /nfs/dbraw/zinc/37/17/69/532371769.db2.gz DDKUUWADFBQZJX-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO COC(=O)C[C@@]1([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CCOC1 ZINC000463730094 532380098 /nfs/dbraw/zinc/38/00/98/532380098.db2.gz PKVIGXYYKJUWGG-INIZCTEOSA-N 1 2 385.251 2.386 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000278428643 532380161 /nfs/dbraw/zinc/38/01/61/532380161.db2.gz JQMLCCIRMAZGKA-CYBMUJFWSA-N 1 2 378.274 2.261 20 0 GEADLO COC[C@H](OC)C(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000622886157 532380819 /nfs/dbraw/zinc/38/08/19/532380819.db2.gz HYVZKEBWPGQLEX-AWEZNQCLSA-N 1 2 397.273 2.125 20 0 GEADLO CN(C)C(=O)[C@](C)(NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(F)(F)F ZINC000622900908 532382218 /nfs/dbraw/zinc/38/22/18/532382218.db2.gz QJGHOWUQEKMXRL-DOMZBBRYSA-N 1 2 379.810 2.468 20 0 GEADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCSC2)CC1 ZINC000558076820 532383638 /nfs/dbraw/zinc/38/36/38/532383638.db2.gz IZJQTXPEKBAXGK-KBPBESRZSA-N 1 2 381.929 2.167 20 0 GEADLO O=C(c1cc(Br)c(F)cc1O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000294815501 532383825 /nfs/dbraw/zinc/38/38/25/532383825.db2.gz CJHPSHDWMDBNKW-NSHDSACASA-N 1 2 387.249 2.231 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000558073195 532384208 /nfs/dbraw/zinc/38/42/08/532384208.db2.gz GEANGKARRVAOHK-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000558073195 532384213 /nfs/dbraw/zinc/38/42/13/532384213.db2.gz GEANGKARRVAOHK-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000463862382 532385552 /nfs/dbraw/zinc/38/55/52/532385552.db2.gz XTECDZKRJUQRIB-UHFFFAOYSA-N 1 2 384.929 2.481 20 0 GEADLO COc1ccc(CNC(=O)C[NH2+]Cc2ncc(Br)cc2F)cc1 ZINC000623377618 532388545 /nfs/dbraw/zinc/38/85/45/532388545.db2.gz CTGLUDIQLHXVLB-UHFFFAOYSA-N 1 2 382.233 2.398 20 0 GEADLO Cc1nn(C)c(CNc2cccc(CN3CCOCC3)[nH+]2)c1Br ZINC000279180787 532390477 /nfs/dbraw/zinc/39/04/77/532390477.db2.gz RTYYDJWUNKQVSG-UHFFFAOYSA-N 1 2 380.290 2.330 20 0 GEADLO CCOc1cccc(C[N@H+](C)CCN2CCCS2(=O)=O)c1OC(F)F ZINC000678297845 532390786 /nfs/dbraw/zinc/39/07/86/532390786.db2.gz PGQIZWMDUIZZSN-UHFFFAOYSA-N 1 2 378.441 2.154 20 0 GEADLO CCOc1cccc(C[N@@H+](C)CCN2CCCS2(=O)=O)c1OC(F)F ZINC000678297845 532390793 /nfs/dbraw/zinc/39/07/93/532390793.db2.gz PGQIZWMDUIZZSN-UHFFFAOYSA-N 1 2 378.441 2.154 20 0 GEADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000678299067 532392320 /nfs/dbraw/zinc/39/23/20/532392320.db2.gz ZBQLLEGIQBVNAI-CALCHBBNSA-N 1 2 393.281 2.351 20 0 GEADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000678299067 532392321 /nfs/dbraw/zinc/39/23/21/532392321.db2.gz ZBQLLEGIQBVNAI-CALCHBBNSA-N 1 2 393.281 2.351 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279251799 532392605 /nfs/dbraw/zinc/39/26/05/532392605.db2.gz ADRHWEQYQOSSCT-DOMZBBRYSA-N 1 2 388.892 2.165 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279251799 532392613 /nfs/dbraw/zinc/39/26/13/532392613.db2.gz ADRHWEQYQOSSCT-DOMZBBRYSA-N 1 2 388.892 2.165 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@@](COC)(C(=O)OC)C1 ZINC000294993161 532394717 /nfs/dbraw/zinc/39/47/17/532394717.db2.gz HUICZGYNVAHPEB-QGZVFWFLSA-N 1 2 389.901 2.145 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@@](COC)(C(=O)OC)C1 ZINC000294993161 532394721 /nfs/dbraw/zinc/39/47/21/532394721.db2.gz HUICZGYNVAHPEB-QGZVFWFLSA-N 1 2 389.901 2.145 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000295016422 532395998 /nfs/dbraw/zinc/39/59/98/532395998.db2.gz REQAIIXNBYXQKV-LLVKDONJSA-N 1 2 381.687 2.412 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1CCSC(CC)(CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000464586260 532400704 /nfs/dbraw/zinc/40/07/04/532400704.db2.gz GVYOXAVGZUWJFB-GJZGRUSLSA-N 1 2 376.588 2.018 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1CCSC(CC)(CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000464586260 532400707 /nfs/dbraw/zinc/40/07/07/532400707.db2.gz GVYOXAVGZUWJFB-GJZGRUSLSA-N 1 2 376.588 2.018 20 0 GEADLO CNc1cc(I)ccc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000591081078 532399011 /nfs/dbraw/zinc/39/90/11/532399011.db2.gz XFIBXFFKECNFEU-NSHDSACASA-N 1 2 396.232 2.274 20 0 GEADLO COC(=O)CNC(=O)CC[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464579014 532399243 /nfs/dbraw/zinc/39/92/43/532399243.db2.gz REMRMLXBHFAASI-UHFFFAOYSA-N 1 2 389.677 2.140 20 0 GEADLO COC(=O)CNC(=O)CC[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464579014 532399247 /nfs/dbraw/zinc/39/92/47/532399247.db2.gz REMRMLXBHFAASI-UHFFFAOYSA-N 1 2 389.677 2.140 20 0 GEADLO COC(=O)c1ccc(Br)cc1CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000558725505 532399318 /nfs/dbraw/zinc/39/93/18/532399318.db2.gz LBOORJUMQAVGJI-UHFFFAOYSA-N 1 2 393.285 2.277 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000372729875 532404254 /nfs/dbraw/zinc/40/42/54/532404254.db2.gz NRGULUGEMQADLR-SWLSCSKDSA-N 1 2 385.917 2.132 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000372729875 532404263 /nfs/dbraw/zinc/40/42/63/532404263.db2.gz NRGULUGEMQADLR-SWLSCSKDSA-N 1 2 385.917 2.132 20 0 GEADLO CC(C)N1CCC[C@H]([N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)C1=O ZINC000192720407 532407059 /nfs/dbraw/zinc/40/70/59/532407059.db2.gz CQCBHXMPVTXJCZ-GJZGRUSLSA-N 1 2 382.302 2.307 20 0 GEADLO CC(C)N1CCC[C@H]([N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)C1=O ZINC000192720407 532407063 /nfs/dbraw/zinc/40/70/63/532407063.db2.gz CQCBHXMPVTXJCZ-GJZGRUSLSA-N 1 2 382.302 2.307 20 0 GEADLO O=S1(=O)CC[C@@H]([NH+]2CCN(CCc3cccc(Cl)c3Cl)CC2)C1 ZINC000280072089 532407287 /nfs/dbraw/zinc/40/72/87/532407287.db2.gz QNNZBKRFMJUXML-CQSZACIVSA-N 1 2 377.337 2.341 20 0 GEADLO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1(S(C)(=O)=O)CC1 ZINC000517194076 532408256 /nfs/dbraw/zinc/40/82/56/532408256.db2.gz JDQPQMVKXQJUSL-KGLIPLIRSA-N 1 2 385.555 2.150 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cccc(C(N)=O)c1 ZINC000517132950 532406213 /nfs/dbraw/zinc/40/62/13/532406213.db2.gz FIXIAELWEGDSDW-UHFFFAOYSA-N 1 2 377.242 2.014 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cccc(C(N)=O)c1 ZINC000517132950 532406220 /nfs/dbraw/zinc/40/62/20/532406220.db2.gz FIXIAELWEGDSDW-UHFFFAOYSA-N 1 2 377.242 2.014 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427045291 532409837 /nfs/dbraw/zinc/40/98/37/532409837.db2.gz QBNAVWQDXNQANP-LBPRGKRZSA-N 1 2 377.242 2.024 20 0 GEADLO Brc1ccc(-n2cc(C[NH2+]Cc3nnc4n3CCOC4)cn2)cc1 ZINC000372772888 532408311 /nfs/dbraw/zinc/40/83/11/532408311.db2.gz OCFQQJJRPXLJIP-UHFFFAOYSA-N 1 2 389.257 2.046 20 0 GEADLO CCCc1csc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)n1 ZINC000192746307 532408920 /nfs/dbraw/zinc/40/89/20/532408920.db2.gz KWSLVJKJGKPXNG-UHFFFAOYSA-N 1 2 378.523 2.270 20 0 GEADLO CCCc1csc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)n1 ZINC000192746307 532408925 /nfs/dbraw/zinc/40/89/25/532408925.db2.gz KWSLVJKJGKPXNG-UHFFFAOYSA-N 1 2 378.523 2.270 20 0 GEADLO CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000591399551 532411613 /nfs/dbraw/zinc/41/16/13/532411613.db2.gz PCVYBXPPLHLRPS-MSOLQXFVSA-N 1 2 377.595 2.324 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000372822861 532411956 /nfs/dbraw/zinc/41/19/56/532411956.db2.gz SVVJRAKKAQHNRF-NSHDSACASA-N 1 2 383.857 2.418 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625137439 532413038 /nfs/dbraw/zinc/41/30/38/532413038.db2.gz CZJRCLSNIDHHDG-USXIJHARSA-N 1 2 379.298 2.125 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1cc(Br)cs1 ZINC000591601018 532413694 /nfs/dbraw/zinc/41/36/94/532413694.db2.gz QKBZGLAQCMMCAT-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1cc(Br)cs1 ZINC000591601018 532413702 /nfs/dbraw/zinc/41/37/02/532413702.db2.gz QKBZGLAQCMMCAT-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000591583702 532414825 /nfs/dbraw/zinc/41/48/25/532414825.db2.gz IGNZZFZQVOVELE-ZDUSSCGKSA-N 1 2 382.302 2.458 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000591583702 532414830 /nfs/dbraw/zinc/41/48/30/532414830.db2.gz IGNZZFZQVOVELE-ZDUSSCGKSA-N 1 2 382.302 2.458 20 0 GEADLO COc1cc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c(Br)cc1O ZINC000649194773 532414925 /nfs/dbraw/zinc/41/49/25/532414925.db2.gz MQZOCNOKJKIIGV-JTQLQIEISA-N 1 2 380.242 2.239 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccccc1Br)[C@H]1CCn2c[nH+]cc2C1 ZINC000372868812 532415851 /nfs/dbraw/zinc/41/58/51/532415851.db2.gz AFPNKZSHFONGCR-ZFWWWQNUSA-N 1 2 392.297 2.175 20 0 GEADLO COc1cc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c(Br)cc1O ZINC000649195852 532416552 /nfs/dbraw/zinc/41/65/52/532416552.db2.gz WNXQMAIKOXDXEU-SNVBAGLBSA-N 1 2 380.242 2.239 20 0 GEADLO COC[C@@H]1C[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@H](C)O1 ZINC000625361287 532420861 /nfs/dbraw/zinc/42/08/61/532420861.db2.gz XKISIXAIVXOBQB-HZUKXOBISA-N 1 2 383.286 2.438 20 0 GEADLO COC[C@@H]1C[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@H](C)O1 ZINC000625361287 532420867 /nfs/dbraw/zinc/42/08/67/532420867.db2.gz XKISIXAIVXOBQB-HZUKXOBISA-N 1 2 383.286 2.438 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCc2ccc[nH+]c2N(C)C)cc1Br ZINC000193043574 532419442 /nfs/dbraw/zinc/41/94/42/532419442.db2.gz HAGAGIBEZWRXFW-UHFFFAOYSA-N 1 2 391.269 2.473 20 0 GEADLO CCN(C(=O)C[N@H+](C)[C@@H](C)CSc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000649664709 532421453 /nfs/dbraw/zinc/42/14/53/532421453.db2.gz PRBPQUFFHPPZHF-HOTGVXAUSA-N 1 2 384.567 2.135 20 0 GEADLO CCN(C(=O)C[N@@H+](C)[C@@H](C)CSc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000649664709 532421459 /nfs/dbraw/zinc/42/14/59/532421459.db2.gz PRBPQUFFHPPZHF-HOTGVXAUSA-N 1 2 384.567 2.135 20 0 GEADLO Cc1sc(Cl)nc1C(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000372970117 532422096 /nfs/dbraw/zinc/42/20/96/532422096.db2.gz QMKKJTLGKJPEPN-UHFFFAOYSA-N 1 2 382.917 2.460 20 0 GEADLO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2c(Br)c(C)nn2C)C1 ZINC000281244191 532422150 /nfs/dbraw/zinc/42/21/50/532422150.db2.gz LZFPJYJAASPXSF-INIZCTEOSA-N 1 2 388.306 2.283 20 0 GEADLO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2c(Br)c(C)nn2C)C1 ZINC000281244191 532422155 /nfs/dbraw/zinc/42/21/55/532422155.db2.gz LZFPJYJAASPXSF-INIZCTEOSA-N 1 2 388.306 2.283 20 0 GEADLO COc1ccsc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000625405028 532424463 /nfs/dbraw/zinc/42/44/63/532424463.db2.gz AEMQKIGFWXABDD-AWEZNQCLSA-N 1 2 382.507 2.318 20 0 GEADLO COc1ccsc1S(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000625405028 532424473 /nfs/dbraw/zinc/42/44/73/532424473.db2.gz AEMQKIGFWXABDD-AWEZNQCLSA-N 1 2 382.507 2.318 20 0 GEADLO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1c(F)cc(F)cc1F ZINC000517869687 532429061 /nfs/dbraw/zinc/42/90/61/532429061.db2.gz NXCKTRIBHOMBFH-UHFFFAOYSA-N 1 2 378.416 2.027 20 0 GEADLO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000193630114 532428085 /nfs/dbraw/zinc/42/80/85/532428085.db2.gz XSBONBOJQFLGPH-DOMZBBRYSA-N 1 2 379.507 2.419 20 0 GEADLO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000427622342 532428302 /nfs/dbraw/zinc/42/83/02/532428302.db2.gz RAUVXSZMOQLTQN-DOMZBBRYSA-N 1 2 379.507 2.277 20 0 GEADLO O=S(=O)(NCC[NH+]1CCC(O)CC1)c1cc(Cl)ccc1C(F)(F)F ZINC000295272440 532428786 /nfs/dbraw/zinc/42/87/86/532428786.db2.gz HUVAMBTURQYGJQ-UHFFFAOYSA-N 1 2 386.823 2.094 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295258324 532427289 /nfs/dbraw/zinc/42/72/89/532427289.db2.gz LDHTWSGOZDOANG-ZDUSSCGKSA-N 1 2 383.495 2.348 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ncc(Br)cc2F)CC1 ZINC000681391958 532429379 /nfs/dbraw/zinc/42/93/79/532429379.db2.gz KXITXQUSLLVLKO-LBPRGKRZSA-N 1 2 385.281 2.116 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000649927708 532431245 /nfs/dbraw/zinc/43/12/45/532431245.db2.gz CZKGMDAQJCLZLQ-UHFFFAOYSA-N 1 2 386.290 2.262 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000626167318 532435591 /nfs/dbraw/zinc/43/55/91/532435591.db2.gz SQOJBBBMSWLBMV-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000626167318 532435594 /nfs/dbraw/zinc/43/55/94/532435594.db2.gz SQOJBBBMSWLBMV-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO NC(=O)[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 ZINC000373152209 532435676 /nfs/dbraw/zinc/43/56/76/532435676.db2.gz OXPZYMCVTRIVSP-HZPDHXFCSA-N 1 2 388.265 2.371 20 0 GEADLO O=C(CS(=O)(=O)c1cccc(Br)c1)Nc1c[nH+]c2n1CCCC2 ZINC000518092019 532435685 /nfs/dbraw/zinc/43/56/85/532435685.db2.gz LHUBVNKKPABRGX-UHFFFAOYSA-N 1 2 398.282 2.394 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000626167213 532436360 /nfs/dbraw/zinc/43/63/60/532436360.db2.gz QIRCIDUCDYHTOP-JTQLQIEISA-N 1 2 397.285 2.489 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000626167213 532436365 /nfs/dbraw/zinc/43/63/65/532436365.db2.gz QIRCIDUCDYHTOP-JTQLQIEISA-N 1 2 397.285 2.489 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)[C@H](C)C1 ZINC000193982561 532441384 /nfs/dbraw/zinc/44/13/84/532441384.db2.gz FLASSDMPKVZNQL-NXEZZACHSA-N 1 2 385.288 2.208 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)[C@H](C)C1 ZINC000193982561 532441388 /nfs/dbraw/zinc/44/13/88/532441388.db2.gz FLASSDMPKVZNQL-NXEZZACHSA-N 1 2 385.288 2.208 20 0 GEADLO Cc1nc(C)n(C[C@@H]2C[N@H+](CCOc3ccc(Br)cc3)CCO2)n1 ZINC000592253303 532443448 /nfs/dbraw/zinc/44/34/48/532443448.db2.gz BBTCNFGMUPHIDK-KRWDZBQOSA-N 1 2 395.301 2.437 20 0 GEADLO Cc1nc(C)n(C[C@@H]2C[N@@H+](CCOc3ccc(Br)cc3)CCO2)n1 ZINC000592253303 532443452 /nfs/dbraw/zinc/44/34/52/532443452.db2.gz BBTCNFGMUPHIDK-KRWDZBQOSA-N 1 2 395.301 2.437 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)[C@@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000373377549 532444592 /nfs/dbraw/zinc/44/45/92/532444592.db2.gz LDBOYYBLFKXSOE-KCXAZCMYSA-N 1 2 376.881 2.323 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)[C@@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000373377549 532444598 /nfs/dbraw/zinc/44/45/98/532444598.db2.gz LDBOYYBLFKXSOE-KCXAZCMYSA-N 1 2 376.881 2.323 20 0 GEADLO CC[N@H+](CCOCCO)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000282137155 532445497 /nfs/dbraw/zinc/44/54/97/532445497.db2.gz RSWJZERMYZJNEV-UHFFFAOYSA-N 1 2 384.274 2.254 20 0 GEADLO CC[N@@H+](CCOCCO)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000282137155 532445503 /nfs/dbraw/zinc/44/55/03/532445503.db2.gz RSWJZERMYZJNEV-UHFFFAOYSA-N 1 2 384.274 2.254 20 0 GEADLO C[C@@H]1CN(C(=O)CSCc2cc(-c3cccs3)on2)CC[N@@H+]1CCO ZINC000428155027 532446476 /nfs/dbraw/zinc/44/64/76/532446476.db2.gz LEYXQXDBTFOKKZ-CYBMUJFWSA-N 1 2 381.523 2.161 20 0 GEADLO C[C@@H]1CN(C(=O)CSCc2cc(-c3cccs3)on2)CC[N@H+]1CCO ZINC000428155027 532446484 /nfs/dbraw/zinc/44/64/84/532446484.db2.gz LEYXQXDBTFOKKZ-CYBMUJFWSA-N 1 2 381.523 2.161 20 0 GEADLO COc1nc(N2CC[NH+]([C@@H](C)c3cnc(C)cn3)CC2)ncc1Br ZINC000428254168 532447266 /nfs/dbraw/zinc/44/72/66/532447266.db2.gz UESAHDWAYYONDB-LBPRGKRZSA-N 1 2 393.289 2.229 20 0 GEADLO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000561774682 532451909 /nfs/dbraw/zinc/45/19/09/532451909.db2.gz YWLNUJVLRFFZGH-SMDDNHRTSA-N 1 2 382.233 2.197 20 0 GEADLO Cn1cc[nH+]c1CN1CCN(C(=O)NCc2csc(Br)c2)CC1 ZINC000592343389 532450602 /nfs/dbraw/zinc/45/06/02/532450602.db2.gz KJMPNRUENMBGQN-UHFFFAOYSA-N 1 2 398.330 2.272 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)s1 ZINC000561779314 532451567 /nfs/dbraw/zinc/45/15/67/532451567.db2.gz ZBNPJLGGZONFOW-AWEZNQCLSA-N 1 2 382.511 2.226 20 0 GEADLO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)CCCO1 ZINC000282270744 532452945 /nfs/dbraw/zinc/45/29/45/532452945.db2.gz HZJRLKJOPXMCSZ-JTQLQIEISA-N 1 2 384.395 2.022 20 0 GEADLO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)CCCO1 ZINC000282270744 532452951 /nfs/dbraw/zinc/45/29/51/532452951.db2.gz HZJRLKJOPXMCSZ-JTQLQIEISA-N 1 2 384.395 2.022 20 0 GEADLO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000592380034 532453234 /nfs/dbraw/zinc/45/32/34/532453234.db2.gz RVOUXHJKYCQYOC-QWRGUYRKSA-N 1 2 378.420 2.009 20 0 GEADLO COc1ccc(COCC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)cn1 ZINC000627664331 532453305 /nfs/dbraw/zinc/45/33/05/532453305.db2.gz CAUVBACUICRMTR-UHFFFAOYSA-N 1 2 395.257 2.469 20 0 GEADLO CCn1cc[nH+]c1CNS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000295514654 532454714 /nfs/dbraw/zinc/45/47/14/532454714.db2.gz OWBFYUVERCVNSW-UHFFFAOYSA-N 1 2 377.875 2.191 20 0 GEADLO Cc1cc2c(o1)c(C(=O)NC[C@@H]1C[NH+]3CCN1CC3)ccc2Br ZINC000467961526 532458489 /nfs/dbraw/zinc/45/84/89/532458489.db2.gz ZLESGMYKEZJOCP-GFCCVEGCSA-N 1 2 378.270 2.233 20 0 GEADLO C[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428783171 532460370 /nfs/dbraw/zinc/46/03/70/532460370.db2.gz MOKJTINMHYLLRM-VERVWZFWSA-N 1 2 399.365 2.067 20 0 GEADLO C[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428783171 532460375 /nfs/dbraw/zinc/46/03/75/532460375.db2.gz MOKJTINMHYLLRM-VERVWZFWSA-N 1 2 399.365 2.067 20 0 GEADLO C[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428783173 532460400 /nfs/dbraw/zinc/46/04/00/532460400.db2.gz MOKJTINMHYLLRM-YTEVENLXSA-N 1 2 399.365 2.067 20 0 GEADLO C[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428783173 532460405 /nfs/dbraw/zinc/46/04/05/532460405.db2.gz MOKJTINMHYLLRM-YTEVENLXSA-N 1 2 399.365 2.067 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)CCO1 ZINC000194922655 532463755 /nfs/dbraw/zinc/46/37/55/532463755.db2.gz KAEFBPBVXKGNHH-UHFFFAOYSA-N 1 2 399.285 2.061 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)CCO1 ZINC000194922655 532463758 /nfs/dbraw/zinc/46/37/58/532463758.db2.gz KAEFBPBVXKGNHH-UHFFFAOYSA-N 1 2 399.285 2.061 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)NCC(F)(F)F)cc2)C1 ZINC000195098539 532467727 /nfs/dbraw/zinc/46/77/27/532467727.db2.gz UUMFXWKBLWKXGL-ZDUSSCGKSA-N 1 2 379.448 2.405 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2ccc(CNS(=O)(=O)NCC(F)(F)F)cc2)C1 ZINC000195098539 532467733 /nfs/dbraw/zinc/46/77/33/532467733.db2.gz UUMFXWKBLWKXGL-ZDUSSCGKSA-N 1 2 379.448 2.405 20 0 GEADLO Oc1c(Br)cc(C[NH2+]CCN2CC[C@@H](O)C2)cc1Br ZINC000628464990 532469302 /nfs/dbraw/zinc/46/93/02/532469302.db2.gz PTAWVBGPQXGXAR-SNVBAGLBSA-N 1 2 394.107 2.073 20 0 GEADLO C[C@H](CCNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[S@@](C)=O ZINC000429047249 532469979 /nfs/dbraw/zinc/46/99/79/532469979.db2.gz YLCIVHMHPDKRGY-XVNUGVHUSA-N 1 2 383.583 2.060 20 0 GEADLO C[C@H](CCNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[S@@](C)=O ZINC000429047249 532469982 /nfs/dbraw/zinc/46/99/82/532469982.db2.gz YLCIVHMHPDKRGY-XVNUGVHUSA-N 1 2 383.583 2.060 20 0 GEADLO O[C@@H](COC[C@H]1CCCO1)C[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000684209217 532471095 /nfs/dbraw/zinc/47/10/95/532471095.db2.gz VPTSFMKBSDJELD-HUUCEWRRSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@@H](COC[C@H]1CCCO1)C[N@H+]1CCOc2c(Br)cccc2C1 ZINC000684209217 532471101 /nfs/dbraw/zinc/47/11/01/532471101.db2.gz VPTSFMKBSDJELD-HUUCEWRRSA-N 1 2 386.286 2.200 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(C)(C)CO ZINC000295705926 532471267 /nfs/dbraw/zinc/47/12/67/532471267.db2.gz KJZGCQRNYFGBOL-CYBMUJFWSA-N 1 2 375.853 2.251 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628682635 532472166 /nfs/dbraw/zinc/47/21/66/532472166.db2.gz PJWFTJQOULJMJV-GOSISDBHSA-N 1 2 392.297 2.151 20 0 GEADLO Cc1ccc(Br)cc1-c1nnc(NC[C@@H]2CN(C)CC[N@@H+]2C)s1 ZINC000468718493 532472829 /nfs/dbraw/zinc/47/28/29/532472829.db2.gz DXRIWCPQFFKHCN-CYBMUJFWSA-N 1 2 396.358 2.934 20 0 GEADLO Cc1ccc(Br)cc1-c1nnc(NC[C@@H]2CN(C)CC[N@H+]2C)s1 ZINC000468718493 532472837 /nfs/dbraw/zinc/47/28/37/532472837.db2.gz DXRIWCPQFFKHCN-CYBMUJFWSA-N 1 2 396.358 2.934 20 0 GEADLO C[C@@H](CC(=O)NC[C@@H](O)COc1ccccc1Br)n1cc[nH+]c1 ZINC000651529695 532473583 /nfs/dbraw/zinc/47/35/83/532473583.db2.gz TXBBHSGSBMQXIE-QWHCGFSZSA-N 1 2 382.258 2.153 20 0 GEADLO C[C@@H](NC(=O)c1c(O)cnc2c(Br)cccc21)[C@@H]1C[N@H+](C)CCO1 ZINC000685790471 532496736 /nfs/dbraw/zinc/49/67/36/532496736.db2.gz YVCFITGMAUJNLO-YGRLFVJLSA-N 1 2 394.269 2.152 20 0 GEADLO C[C@@H](NC(=O)c1c(O)cnc2c(Br)cccc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000685790471 532496742 /nfs/dbraw/zinc/49/67/42/532496742.db2.gz YVCFITGMAUJNLO-YGRLFVJLSA-N 1 2 394.269 2.152 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(F)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000651582627 532480084 /nfs/dbraw/zinc/48/00/84/532480084.db2.gz CNIBQOPXABYFBW-CYBMUJFWSA-N 1 2 376.881 2.355 20 0 GEADLO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCc3c(Br)cccc3C2)C[C@@H](C)O1 ZINC000520694995 532496851 /nfs/dbraw/zinc/49/68/51/532496851.db2.gz JVYVNRLKBNWDCR-FMKPAKJESA-N 1 2 383.330 2.277 20 0 GEADLO C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCc3c(Br)cccc3C2)C[C@@H](C)O1 ZINC000520694995 532496855 /nfs/dbraw/zinc/49/68/55/532496855.db2.gz JVYVNRLKBNWDCR-FMKPAKJESA-N 1 2 383.330 2.277 20 0 GEADLO O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc(Cl)c(F)c1 ZINC000651603458 532481493 /nfs/dbraw/zinc/48/14/93/532481493.db2.gz ZGFNRWNAILXMFW-CVEARBPZSA-N 1 2 376.881 2.401 20 0 GEADLO CC1(C)CN(S(=O)(=O)Cc2cc(Cl)sc2Cl)CC[N@@H+]1CCO ZINC000651660669 532483693 /nfs/dbraw/zinc/48/36/93/532483693.db2.gz ZINYQEZSNONOGS-UHFFFAOYSA-N 1 2 387.354 2.273 20 0 GEADLO CC1(C)CN(S(=O)(=O)Cc2cc(Cl)sc2Cl)CC[N@H+]1CCO ZINC000651660669 532483700 /nfs/dbraw/zinc/48/37/00/532483700.db2.gz ZINYQEZSNONOGS-UHFFFAOYSA-N 1 2 387.354 2.273 20 0 GEADLO CN(C(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1)c1nccs1 ZINC000374010864 532484979 /nfs/dbraw/zinc/48/49/79/532484979.db2.gz SRUZCQVXEIMADY-UHFFFAOYSA-N 1 2 384.303 2.402 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)c1ccc(OC)c(I)c1 ZINC000295903947 532485986 /nfs/dbraw/zinc/48/59/86/532485986.db2.gz ZZZOMNWROYEYIF-UHFFFAOYSA-N 1 2 385.205 2.446 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2cccc(Br)c2F)CC1 ZINC000295985389 532492227 /nfs/dbraw/zinc/49/22/27/532492227.db2.gz JVNBPDUSCGRJMW-UHFFFAOYSA-N 1 2 379.295 2.349 20 0 GEADLO COc1cc(Br)ccc1C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000685437070 532492626 /nfs/dbraw/zinc/49/26/26/532492626.db2.gz DJBNQGNBIBSFFU-AWEZNQCLSA-N 1 2 391.331 2.314 20 0 GEADLO COc1cc(Br)ccc1C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000685437070 532492630 /nfs/dbraw/zinc/49/26/30/532492630.db2.gz DJBNQGNBIBSFFU-AWEZNQCLSA-N 1 2 391.331 2.314 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000469201876 532495452 /nfs/dbraw/zinc/49/54/52/532495452.db2.gz DVTAYMXLMDOLED-UHFFFAOYSA-N 1 2 399.563 2.241 20 0 GEADLO Cc1ccc(-n2c(Cl)c(C[NH2+][C@@H](C)CS(C)(=O)=O)nc2N(C)C)cc1 ZINC000282792513 532495560 /nfs/dbraw/zinc/49/55/60/532495560.db2.gz MFNLIWGWOOCBRN-ZDUSSCGKSA-N 1 2 384.933 2.423 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684263453 532474286 /nfs/dbraw/zinc/47/42/86/532474286.db2.gz YZPHCAKHPOXVSI-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684263453 532474288 /nfs/dbraw/zinc/47/42/88/532474288.db2.gz YZPHCAKHPOXVSI-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431097721 532504128 /nfs/dbraw/zinc/50/41/28/532504128.db2.gz AUSFRARLZFYBKR-VHSXEESVSA-N 1 2 381.278 2.267 20 0 GEADLO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)nnn1-c1cccc(Br)c1 ZINC000282898601 532504827 /nfs/dbraw/zinc/50/48/27/532504827.db2.gz WQILOUCHTDLMMF-GHMZBOCLSA-N 1 2 398.280 2.463 20 0 GEADLO C[C@@H]1C[C@@H](S(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000296214745 532506726 /nfs/dbraw/zinc/50/67/26/532506726.db2.gz MOGXVSBMCYYOJA-NXHRZFHOSA-N 1 2 384.567 2.091 20 0 GEADLO C[C@@H]1C[C@@H](S(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CCO1 ZINC000296214745 532506734 /nfs/dbraw/zinc/50/67/34/532506734.db2.gz MOGXVSBMCYYOJA-NXHRZFHOSA-N 1 2 384.567 2.091 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000296398198 532519101 /nfs/dbraw/zinc/51/91/01/532519101.db2.gz TUAOIZGHIBNLIB-MRXNPFEDSA-N 1 2 375.252 2.443 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000296398198 532519106 /nfs/dbraw/zinc/51/91/06/532519106.db2.gz TUAOIZGHIBNLIB-MRXNPFEDSA-N 1 2 375.252 2.443 20 0 GEADLO Cc1c(C(=O)NC2C[NH+](C(C)C)C2)nnn1-c1cccc(Br)c1 ZINC000431395334 532511920 /nfs/dbraw/zinc/51/19/20/532511920.db2.gz BRRVZUPNOGXXKR-UHFFFAOYSA-N 1 2 378.274 2.161 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)ccc1Br ZINC000469843898 532513713 /nfs/dbraw/zinc/51/37/13/532513713.db2.gz NXJISTBJFKDQMV-GHJWDPDVSA-N 1 2 380.286 2.282 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)ccc1Br ZINC000469843898 532513716 /nfs/dbraw/zinc/51/37/16/532513716.db2.gz NXJISTBJFKDQMV-GHJWDPDVSA-N 1 2 380.286 2.282 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1C ZINC000469841302 532513951 /nfs/dbraw/zinc/51/39/51/532513951.db2.gz LEVMACQJHJNIRA-SMDDNHRTSA-N 1 2 390.299 2.106 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1C ZINC000469841302 532513956 /nfs/dbraw/zinc/51/39/56/532513956.db2.gz LEVMACQJHJNIRA-SMDDNHRTSA-N 1 2 390.299 2.106 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000521504891 532514101 /nfs/dbraw/zinc/51/41/01/532514101.db2.gz VPQDQPOEGYACCN-VERVWZFWSA-N 1 2 399.365 2.115 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000521504891 532514106 /nfs/dbraw/zinc/51/41/06/532514106.db2.gz VPQDQPOEGYACCN-VERVWZFWSA-N 1 2 399.365 2.115 20 0 GEADLO O=C(NC[C@H]1CCC[NH2+]C1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000237997507 532514650 /nfs/dbraw/zinc/51/46/50/532514650.db2.gz OEUOEJSOFUUEEU-ZDUSSCGKSA-N 1 2 379.507 2.278 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+](CCCO)C1)c1c(Cl)cc(F)cc1Cl ZINC000296364686 532516194 /nfs/dbraw/zinc/51/61/94/532516194.db2.gz WXNNBEFABVMTNA-LLVKDONJSA-N 1 2 385.288 2.258 20 0 GEADLO COc1ccc(C[N@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)cc1C ZINC000283079957 532518132 /nfs/dbraw/zinc/51/81/32/532518132.db2.gz RDCOIZJQWDAKNR-UHFFFAOYSA-N 1 2 376.469 2.495 20 0 GEADLO COc1ccc(C[N@@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)cc1C ZINC000283079957 532518136 /nfs/dbraw/zinc/51/81/36/532518136.db2.gz RDCOIZJQWDAKNR-UHFFFAOYSA-N 1 2 376.469 2.495 20 0 GEADLO COc1cc[nH+]cc1CNS(=O)(=O)c1cc(Br)ccc1F ZINC000431606153 532518616 /nfs/dbraw/zinc/51/86/16/532518616.db2.gz SLIPMRXDPOMUOI-UHFFFAOYSA-N 1 2 375.219 2.470 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374373162 532498979 /nfs/dbraw/zinc/49/89/79/532498979.db2.gz RBBBCRWIXPZAJM-HNNXBMFYSA-N 1 2 391.269 2.343 20 0 GEADLO O=C([C@@H]1COc2ccc(Br)cc21)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374383467 532500706 /nfs/dbraw/zinc/50/07/06/532500706.db2.gz FEYODQXIDATLBP-CVEARBPZSA-N 1 2 388.265 2.493 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000469319456 532501029 /nfs/dbraw/zinc/50/10/29/532501029.db2.gz ZAQUDBFQHRPACQ-STQMWFEESA-N 1 2 376.906 2.078 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000469319456 532501031 /nfs/dbraw/zinc/50/10/31/532501031.db2.gz ZAQUDBFQHRPACQ-STQMWFEESA-N 1 2 376.906 2.078 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)c(Br)c1 ZINC000470766424 532535695 /nfs/dbraw/zinc/53/56/95/532535695.db2.gz PRFRGNYEGLAABB-UHFFFAOYSA-N 1 2 382.239 2.300 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000630948860 532536384 /nfs/dbraw/zinc/53/63/84/532536384.db2.gz NEJRIZRDJZSZPL-DKSSEZFCSA-N 1 2 394.357 2.479 20 0 GEADLO COc1cc([C@@H](C)[NH2+]Cc2nn(C)cc2Br)ccc1OCCO ZINC000432782317 532545454 /nfs/dbraw/zinc/54/54/54/532545454.db2.gz WMEXDFWKOSFFNY-LLVKDONJSA-N 1 2 384.274 2.413 20 0 GEADLO CCN1CCN(CC(=O)Nc2ccc(Br)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000526077566 532539652 /nfs/dbraw/zinc/53/96/52/532539652.db2.gz OTGYFRGTNRSHOC-HNNXBMFYSA-N 1 2 392.301 2.490 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCCC[C@@H](SC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000246481286 532539904 /nfs/dbraw/zinc/53/99/04/532539904.db2.gz GOXABNIWXUSXAT-HZPDHXFCSA-N 1 2 376.588 2.020 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCCC[C@@H](SC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000246481286 532539908 /nfs/dbraw/zinc/53/99/08/532539908.db2.gz GOXABNIWXUSXAT-HZPDHXFCSA-N 1 2 376.588 2.020 20 0 GEADLO Cc1csc([C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C(F)(F)F)n1 ZINC000296772660 532540591 /nfs/dbraw/zinc/54/05/91/532540591.db2.gz BMFFBQMSEKAQBC-LLVKDONJSA-N 1 2 380.436 2.465 20 0 GEADLO COC(=O)[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000527128347 532545539 /nfs/dbraw/zinc/54/55/39/532545539.db2.gz BRWKEDRHGGFHMI-TZMCWYRMSA-N 1 2 378.238 2.115 20 0 GEADLO O=C1[C@H]([NH2+]Cc2ncc(Br)cc2Cl)CCN1C1CCOCC1 ZINC000631082455 532542292 /nfs/dbraw/zinc/54/22/92/532542292.db2.gz IDHZUXOYWPMQOE-CYBMUJFWSA-N 1 2 388.693 2.367 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000375194886 532542358 /nfs/dbraw/zinc/54/23/58/532542358.db2.gz NGEFOSBYDMYJAO-OLZOCXBDSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000375194886 532542360 /nfs/dbraw/zinc/54/23/60/532542360.db2.gz NGEFOSBYDMYJAO-OLZOCXBDSA-N 1 2 386.901 2.374 20 0 GEADLO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000565004038 532542729 /nfs/dbraw/zinc/54/27/29/532542729.db2.gz MSUAYZQRGUSFJT-CHWSQXEVSA-N 1 2 381.523 2.333 20 0 GEADLO O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000283501410 532543376 /nfs/dbraw/zinc/54/33/76/532543376.db2.gz JMTNXUUQDVBXKJ-UHFFFAOYSA-N 1 2 381.885 2.191 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Cl)cc1F ZINC000374800791 532519505 /nfs/dbraw/zinc/51/95/05/532519505.db2.gz QANWRQYQTBJVRP-HUUCEWRRSA-N 1 2 376.881 2.007 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)NCCCSc1ccccc1 ZINC000471198855 532544926 /nfs/dbraw/zinc/54/49/26/532544926.db2.gz IPQSZJCYECLJDF-OAHLLOKOSA-N 1 2 382.551 2.266 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)NCCCSc1ccccc1 ZINC000471198855 532544930 /nfs/dbraw/zinc/54/49/30/532544930.db2.gz IPQSZJCYECLJDF-OAHLLOKOSA-N 1 2 382.551 2.266 20 0 GEADLO COC(=O)[C@H](NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1cccc(Br)c1 ZINC000594711983 532522472 /nfs/dbraw/zinc/52/24/72/532522472.db2.gz OPHDGYRJZADUDV-XJKCOSOUSA-N 1 2 385.302 2.362 20 0 GEADLO COC(=O)[C@H](NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1cccc(Br)c1 ZINC000594711983 532522473 /nfs/dbraw/zinc/52/24/73/532522473.db2.gz OPHDGYRJZADUDV-XJKCOSOUSA-N 1 2 385.302 2.362 20 0 GEADLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CCSC[C@H]3CCO)sc2c1 ZINC000470213776 532523203 /nfs/dbraw/zinc/52/32/03/532523203.db2.gz KMASISKONJGHKH-GFCCVEGCSA-N 1 2 381.523 2.433 20 0 GEADLO CCOc1ccc2nc(NC(=O)C[N@H+]3CCSC[C@H]3CCO)sc2c1 ZINC000470213776 532523207 /nfs/dbraw/zinc/52/32/07/532523207.db2.gz KMASISKONJGHKH-GFCCVEGCSA-N 1 2 381.523 2.433 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)c2[nH]nc3ccc(Br)cc32)CCO1 ZINC000470457057 532530243 /nfs/dbraw/zinc/53/02/43/532530243.db2.gz XCVOJOQUIYPGMD-LBPRGKRZSA-N 1 2 381.274 2.166 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)c2[nH]nc3ccc(Br)cc32)CCO1 ZINC000470457057 532530251 /nfs/dbraw/zinc/53/02/51/532530251.db2.gz XCVOJOQUIYPGMD-LBPRGKRZSA-N 1 2 381.274 2.166 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)c2csc(I)c2)CCO1 ZINC000470460703 532530504 /nfs/dbraw/zinc/53/05/04/532530504.db2.gz YEDCPGFQXUWTHS-LLVKDONJSA-N 1 2 394.278 2.193 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2csc(I)c2)CCO1 ZINC000470460703 532530510 /nfs/dbraw/zinc/53/05/10/532530510.db2.gz YEDCPGFQXUWTHS-LLVKDONJSA-N 1 2 394.278 2.193 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[N@@H+]1C[C@H](C)O ZINC000246082869 532530819 /nfs/dbraw/zinc/53/08/19/532530819.db2.gz HMXXANWTMXTCEW-RYUDHWBXSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[N@H+]1C[C@H](C)O ZINC000246082869 532530822 /nfs/dbraw/zinc/53/08/22/532530822.db2.gz HMXXANWTMXTCEW-RYUDHWBXSA-N 1 2 381.325 2.459 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000296594454 532530804 /nfs/dbraw/zinc/53/08/04/532530804.db2.gz URZTXFIMXDVXNA-UHFFFAOYSA-N 1 2 383.221 2.368 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000246224781 532533528 /nfs/dbraw/zinc/53/35/28/532533528.db2.gz VVRPYGYUHAFUSR-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000246224781 532533534 /nfs/dbraw/zinc/53/35/34/532533534.db2.gz VVRPYGYUHAFUSR-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H]1C[N@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000472280093 532569664 /nfs/dbraw/zinc/56/96/64/532569664.db2.gz RPJKGUUJCZZPEI-CABCVRRESA-N 1 2 384.567 2.384 20 0 GEADLO C[C@H]1C[N@@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000472280093 532569671 /nfs/dbraw/zinc/56/96/71/532569671.db2.gz RPJKGUUJCZZPEI-CABCVRRESA-N 1 2 384.567 2.384 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1Cl ZINC000248646047 532552681 /nfs/dbraw/zinc/55/26/81/532552681.db2.gz GYPKHWXBOLSDRW-RYUDHWBXSA-N 1 2 378.947 2.138 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1Cl ZINC000248646047 532552689 /nfs/dbraw/zinc/55/26/89/532552689.db2.gz GYPKHWXBOLSDRW-RYUDHWBXSA-N 1 2 378.947 2.138 20 0 GEADLO C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000631289118 532552865 /nfs/dbraw/zinc/55/28/65/532552865.db2.gz OLYPOHSSGXAGGZ-DKSSEZFCSA-N 1 2 394.357 2.479 20 0 GEADLO COC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000433008839 532553179 /nfs/dbraw/zinc/55/31/79/532553179.db2.gz QBOHJGQMADHBCM-JTQLQIEISA-N 1 2 393.241 2.315 20 0 GEADLO Cc1cc(N2CCN(S(=O)(=O)CCC(C)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000631685896 532555732 /nfs/dbraw/zinc/55/57/32/532555732.db2.gz DRFFDXKGDGVLLN-UHFFFAOYSA-N 1 2 376.473 2.406 20 0 GEADLO C[C@@]1(Br)C[C@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000527774918 532555777 /nfs/dbraw/zinc/55/57/77/532555777.db2.gz VRZSKMCURUTYPE-MAUKXSAKSA-N 1 2 394.313 2.379 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000248650996 532555828 /nfs/dbraw/zinc/55/58/28/532555828.db2.gz APARRUXLYKBKMM-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000248650996 532555832 /nfs/dbraw/zinc/55/58/32/532555832.db2.gz APARRUXLYKBKMM-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000631689247 532555931 /nfs/dbraw/zinc/55/59/31/532555931.db2.gz YPYRDJLIIDVCBX-OCCSQVGLSA-N 1 2 376.931 2.127 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000631689247 532555933 /nfs/dbraw/zinc/55/59/33/532555933.db2.gz YPYRDJLIIDVCBX-OCCSQVGLSA-N 1 2 376.931 2.127 20 0 GEADLO Cn1ncc(Br)c1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000631683476 532556112 /nfs/dbraw/zinc/55/61/12/532556112.db2.gz HAQMHYDAABWWNT-LBPRGKRZSA-N 1 2 388.262 2.330 20 0 GEADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000375409681 532556275 /nfs/dbraw/zinc/55/62/75/532556275.db2.gz XWTZGJABWVVXMC-DGCLKSJQSA-N 1 2 391.269 2.254 20 0 GEADLO Cn1cc(Br)c(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)n1 ZINC000433188059 532557595 /nfs/dbraw/zinc/55/75/95/532557595.db2.gz KUEJSSQPTUAOMZ-SNVBAGLBSA-N 1 2 397.239 2.463 20 0 GEADLO Cn1cc(Br)c(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)n1 ZINC000433188059 532557598 /nfs/dbraw/zinc/55/75/98/532557598.db2.gz KUEJSSQPTUAOMZ-SNVBAGLBSA-N 1 2 397.239 2.463 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000249094764 532560728 /nfs/dbraw/zinc/56/07/28/532560728.db2.gz TXUFLSCWHNEMAF-DZGCQCFKSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000249094764 532560731 /nfs/dbraw/zinc/56/07/31/532560731.db2.gz TXUFLSCWHNEMAF-DZGCQCFKSA-N 1 2 376.469 2.398 20 0 GEADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375506031 532562791 /nfs/dbraw/zinc/56/27/91/532562791.db2.gz OILPAZMPEXPMHR-FXBDTBDDSA-N 1 2 381.757 2.402 20 0 GEADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375506031 532562798 /nfs/dbraw/zinc/56/27/98/532562798.db2.gz OILPAZMPEXPMHR-FXBDTBDDSA-N 1 2 381.757 2.402 20 0 GEADLO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000595428471 532564109 /nfs/dbraw/zinc/56/41/09/532564109.db2.gz DFIMWFANROXSHU-CQSZACIVSA-N 1 2 382.258 2.481 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000297074878 532564808 /nfs/dbraw/zinc/56/48/08/532564808.db2.gz LRLXDCMBGWXZMX-DOMZBBRYSA-N 1 2 381.274 2.409 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccccc1Br ZINC000433364574 532566298 /nfs/dbraw/zinc/56/62/98/532566298.db2.gz NRKIRGAZNKQUHY-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccccc1Br ZINC000433364574 532566304 /nfs/dbraw/zinc/56/63/04/532566304.db2.gz NRKIRGAZNKQUHY-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO C[N@H+](CCCOc1cccc(I)c1)Cc1n[nH]c(=O)o1 ZINC000595546863 532566817 /nfs/dbraw/zinc/56/68/17/532566817.db2.gz JRKZDUJHTBQIAZ-UHFFFAOYSA-N 1 2 389.193 2.281 20 0 GEADLO C[N@@H+](CCCOc1cccc(I)c1)Cc1n[nH]c(=O)o1 ZINC000595546863 532566821 /nfs/dbraw/zinc/56/68/21/532566821.db2.gz JRKZDUJHTBQIAZ-UHFFFAOYSA-N 1 2 389.193 2.281 20 0 GEADLO C[C@]1(Br)C[C@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000528524862 532568659 /nfs/dbraw/zinc/56/86/59/532568659.db2.gz BWZRHWCUAGXIBL-RYRKJORJSA-N 1 2 381.314 2.220 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C(F)(F)F)n1 ZINC000297143329 532569200 /nfs/dbraw/zinc/56/92/00/532569200.db2.gz RUSUQDHJFNYYBI-NSHDSACASA-N 1 2 380.436 2.465 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C(F)(F)F)n1 ZINC000297143329 532569206 /nfs/dbraw/zinc/56/92/06/532569206.db2.gz RUSUQDHJFNYYBI-NSHDSACASA-N 1 2 380.436 2.465 20 0 GEADLO C[C@H]1C[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000472280097 532569395 /nfs/dbraw/zinc/56/93/95/532569395.db2.gz RPJKGUUJCZZPEI-HUUCEWRRSA-N 1 2 384.567 2.384 20 0 GEADLO C[C@H]1C[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000472280097 532569401 /nfs/dbraw/zinc/56/94/01/532569401.db2.gz RPJKGUUJCZZPEI-HUUCEWRRSA-N 1 2 384.567 2.384 20 0 GEADLO COC(=O)c1cccc(Br)c1C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000432862506 532547226 /nfs/dbraw/zinc/54/72/26/532547226.db2.gz FJAKMIFOAALPGW-LBPRGKRZSA-N 1 2 396.285 2.272 20 0 GEADLO COC(=O)c1cccc(Br)c1C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000432862506 532547230 /nfs/dbraw/zinc/54/72/30/532547230.db2.gz FJAKMIFOAALPGW-LBPRGKRZSA-N 1 2 396.285 2.272 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000565080125 532548516 /nfs/dbraw/zinc/54/85/16/532548516.db2.gz UKVQEJKJHYDZAI-VIFPVBQESA-N 1 2 394.686 2.422 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000565080125 532548519 /nfs/dbraw/zinc/54/85/19/532548519.db2.gz UKVQEJKJHYDZAI-VIFPVBQESA-N 1 2 394.686 2.422 20 0 GEADLO Cn1cc(Br)c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000432883460 532548806 /nfs/dbraw/zinc/54/88/06/532548806.db2.gz BAVGMGSZWQIDLC-UHFFFAOYSA-N 1 2 378.205 2.437 20 0 GEADLO Cc1cc(N2CC[C@H](CO)[C@@H](O)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631242957 532548945 /nfs/dbraw/zinc/54/89/45/532548945.db2.gz XVYSFDSZDDAWAY-HIFRSBDPSA-N 1 2 378.270 2.394 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000375313201 532549430 /nfs/dbraw/zinc/54/94/30/532549430.db2.gz LVMIAZPHIYWXBW-MRXNPFEDSA-N 1 2 382.917 2.098 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000375313201 532549434 /nfs/dbraw/zinc/54/94/34/532549434.db2.gz LVMIAZPHIYWXBW-MRXNPFEDSA-N 1 2 382.917 2.098 20 0 GEADLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2c[nH]c(=O)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000632143767 532582301 /nfs/dbraw/zinc/58/23/01/532582301.db2.gz ZTCZSWKUFJRILN-YPMHNXCESA-N 1 2 391.877 2.365 20 0 GEADLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2c[nH]c(=O)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000632143767 532582306 /nfs/dbraw/zinc/58/23/06/532582306.db2.gz ZTCZSWKUFJRILN-YPMHNXCESA-N 1 2 391.877 2.365 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ccc(Br)s1 ZINC000565877486 532583443 /nfs/dbraw/zinc/58/34/43/532583443.db2.gz AFFMDDMRXMGKNC-UHFFFAOYSA-N 1 2 389.315 2.122 20 0 GEADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3C[C@]3(C)Br)CC2)c1 ZINC000528842796 532584144 /nfs/dbraw/zinc/58/41/44/532584144.db2.gz DZENQSGQBBLTDY-AEFFLSMTSA-N 1 2 397.313 2.392 20 0 GEADLO O=C(Cc1cc(Cl)cc(Cl)c1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000528827792 532584313 /nfs/dbraw/zinc/58/43/13/532584313.db2.gz BRIIATJWUKOAJE-QGZVFWFLSA-N 1 2 387.307 2.486 20 0 GEADLO O=C(Cc1cccc(I)c1)NCCNc1cccc[nH+]1 ZINC000473065711 532584162 /nfs/dbraw/zinc/58/41/62/532584162.db2.gz PWQTVICTWHBDTN-UHFFFAOYSA-N 1 2 381.217 2.457 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3coc(Br)c3)cc2C1 ZINC000433970208 532584322 /nfs/dbraw/zinc/58/43/22/532584322.db2.gz DPPZLXDHZLTCIJ-UHFFFAOYSA-N 1 2 378.226 2.138 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3coc(Br)c3)cc2C1 ZINC000433970208 532584330 /nfs/dbraw/zinc/58/43/30/532584330.db2.gz DPPZLXDHZLTCIJ-UHFFFAOYSA-N 1 2 378.226 2.138 20 0 GEADLO CC(C)n1nc2c(cc1=O)C[N@@H+](CC(=O)NCc1ccc(Cl)s1)CC2 ZINC000375875045 532584836 /nfs/dbraw/zinc/58/48/36/532584836.db2.gz SBDDGQOLSSQPIZ-UHFFFAOYSA-N 1 2 380.901 2.214 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000632169202 532584798 /nfs/dbraw/zinc/58/47/98/532584798.db2.gz MFTLKWJOTKKYQO-KGLIPLIRSA-N 1 2 384.395 2.069 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000632169202 532584802 /nfs/dbraw/zinc/58/48/02/532584802.db2.gz MFTLKWJOTKKYQO-KGLIPLIRSA-N 1 2 384.395 2.069 20 0 GEADLO CC(C)n1nc2c(cc1=O)C[N@H+](CC(=O)NCc1ccc(Cl)s1)CC2 ZINC000375875045 532584843 /nfs/dbraw/zinc/58/48/43/532584843.db2.gz SBDDGQOLSSQPIZ-UHFFFAOYSA-N 1 2 380.901 2.214 20 0 GEADLO CCN1C(=O)[C@@H]2C[N@H+](Cc3cn4cc(Cl)cc(Cl)c4n3)CCN2C1=O ZINC000375885633 532585098 /nfs/dbraw/zinc/58/50/98/532585098.db2.gz XPRKTUGUFIYIRV-ZDUSSCGKSA-N 1 2 382.251 2.109 20 0 GEADLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cn4cc(Cl)cc(Cl)c4n3)CCN2C1=O ZINC000375885633 532585101 /nfs/dbraw/zinc/58/51/01/532585101.db2.gz XPRKTUGUFIYIRV-ZDUSSCGKSA-N 1 2 382.251 2.109 20 0 GEADLO C[C@@H](C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)c1cnn(C)c1 ZINC000565935939 532585333 /nfs/dbraw/zinc/58/53/33/532585333.db2.gz PKSVAKDRNIGLKC-LLVKDONJSA-N 1 2 394.273 2.156 20 0 GEADLO CC(C)(C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000528881820 532585679 /nfs/dbraw/zinc/58/56/79/532585679.db2.gz ZQQHCCXWXUWFQQ-CVEARBPZSA-N 1 2 386.323 2.169 20 0 GEADLO CCN1C(=O)[C@H]2C[N@H+](Cc3cn4cc(Cl)cc(Cl)c4n3)CCN2C1=O ZINC000375885631 532585818 /nfs/dbraw/zinc/58/58/18/532585818.db2.gz XPRKTUGUFIYIRV-CYBMUJFWSA-N 1 2 382.251 2.109 20 0 GEADLO CCN1C(=O)[C@H]2C[N@@H+](Cc3cn4cc(Cl)cc(Cl)c4n3)CCN2C1=O ZINC000375885631 532585825 /nfs/dbraw/zinc/58/58/25/532585825.db2.gz XPRKTUGUFIYIRV-CYBMUJFWSA-N 1 2 382.251 2.109 20 0 GEADLO C[C@@]1(C[NH3+])CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C1 ZINC000262141438 532586336 /nfs/dbraw/zinc/58/63/36/532586336.db2.gz XDYRJPVXSCRVTO-KRWDZBQOSA-N 1 2 379.507 2.360 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)Nc1ccc(Br)cc1F ZINC000284307032 532586471 /nfs/dbraw/zinc/58/64/71/532586471.db2.gz OZTWPUQKHHRUNZ-SECBINFHSA-N 1 2 399.220 2.083 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)Nc1ccc(Br)cc1F ZINC000284307032 532586472 /nfs/dbraw/zinc/58/64/72/532586472.db2.gz OZTWPUQKHHRUNZ-SECBINFHSA-N 1 2 399.220 2.083 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)CC2CS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000632200385 532589228 /nfs/dbraw/zinc/58/92/28/532589228.db2.gz GFKZKVOQVIWSCQ-DYVFJYSZSA-N 1 2 388.892 2.023 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)CC2CS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000632200385 532589236 /nfs/dbraw/zinc/58/92/36/532589236.db2.gz GFKZKVOQVIWSCQ-DYVFJYSZSA-N 1 2 388.892 2.023 20 0 GEADLO Cc1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)[nH+]c2)ccc1Cl ZINC000655468705 532589682 /nfs/dbraw/zinc/58/96/82/532589682.db2.gz CNSAFWJXCAGUPJ-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO COC[C@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@H]1CCCO1 ZINC000434265221 532590306 /nfs/dbraw/zinc/59/03/06/532590306.db2.gz UOWHXFXFOLUFEB-UONOGXRCSA-N 1 2 397.273 2.090 20 0 GEADLO O=C(NCCNc1cccc(Br)c1)NCC1([NH+]2CCOCC2)CC1 ZINC000434463208 532594509 /nfs/dbraw/zinc/59/45/09/532594509.db2.gz NBMWYPLEAWPOCR-UHFFFAOYSA-N 1 2 397.317 2.025 20 0 GEADLO COC[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@H](C)O1 ZINC000251535243 532572189 /nfs/dbraw/zinc/57/21/89/532572189.db2.gz DJUDELHAWYKGJL-ZFWWWQNUSA-N 1 2 385.302 2.143 20 0 GEADLO COC[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@H](C)O1 ZINC000251535243 532572193 /nfs/dbraw/zinc/57/21/93/532572193.db2.gz DJUDELHAWYKGJL-ZFWWWQNUSA-N 1 2 385.302 2.143 20 0 GEADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000595776882 532573315 /nfs/dbraw/zinc/57/33/15/532573315.db2.gz WKUYBQSJOHGMNJ-WFASDCNBSA-N 1 2 396.228 2.209 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCc1c(Cl)cccc1Cl ZINC000654873935 532573840 /nfs/dbraw/zinc/57/38/40/532573840.db2.gz TXCPHPLTERRNJC-ZDUSSCGKSA-N 1 2 375.296 2.078 20 0 GEADLO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000375666519 532574158 /nfs/dbraw/zinc/57/41/58/532574158.db2.gz WOJXCGYKOVFROL-BBRMVZONSA-N 1 2 385.555 2.091 20 0 GEADLO CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000375666519 532574166 /nfs/dbraw/zinc/57/41/66/532574166.db2.gz WOJXCGYKOVFROL-BBRMVZONSA-N 1 2 385.555 2.091 20 0 GEADLO OCC1(CO)CC[N@H+](Cc2ccc(I)cc2Cl)C1 ZINC000595808814 532575170 /nfs/dbraw/zinc/57/51/70/532575170.db2.gz WXEVKEMRSZNUOC-UHFFFAOYSA-N 1 2 381.641 2.121 20 0 GEADLO OCC1(CO)CC[N@@H+](Cc2ccc(I)cc2Cl)C1 ZINC000595808814 532575175 /nfs/dbraw/zinc/57/51/75/532575175.db2.gz WXEVKEMRSZNUOC-UHFFFAOYSA-N 1 2 381.641 2.121 20 0 GEADLO CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000375666527 532575147 /nfs/dbraw/zinc/57/51/47/532575147.db2.gz WOJXCGYKOVFROL-CZUORRHYSA-N 1 2 385.555 2.091 20 0 GEADLO CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000375666527 532575152 /nfs/dbraw/zinc/57/51/52/532575152.db2.gz WOJXCGYKOVFROL-CZUORRHYSA-N 1 2 385.555 2.091 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000375721950 532579654 /nfs/dbraw/zinc/57/96/54/532579654.db2.gz HGIAVRAKCQPQGX-LLVKDONJSA-N 1 2 388.287 2.104 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000375721950 532579660 /nfs/dbraw/zinc/57/96/60/532579660.db2.gz HGIAVRAKCQPQGX-LLVKDONJSA-N 1 2 388.287 2.104 20 0 GEADLO CO[C@@](C)(CO)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000655213015 532579992 /nfs/dbraw/zinc/57/99/92/532579992.db2.gz IYWKGQQZIKAQAA-NVXWUHKLSA-N 1 2 385.302 2.100 20 0 GEADLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)no1 ZINC000375765189 532581755 /nfs/dbraw/zinc/58/17/55/532581755.db2.gz PMONHJGPQUZMPG-LLVKDONJSA-N 1 2 380.246 2.354 20 0 GEADLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)no1 ZINC000375765189 532581762 /nfs/dbraw/zinc/58/17/62/532581762.db2.gz PMONHJGPQUZMPG-LLVKDONJSA-N 1 2 380.246 2.354 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)Cc2c(F)cccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000632501414 532615207 /nfs/dbraw/zinc/61/52/07/532615207.db2.gz BSLSKZAYEOQLBD-CVEARBPZSA-N 1 2 390.908 2.398 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2F)C[C@H]1[NH+]1CCOCC1 ZINC000632500931 532615415 /nfs/dbraw/zinc/61/54/15/532615415.db2.gz GKAGYMUVCPSSHQ-ZIAGYGMSSA-N 1 2 376.881 2.257 20 0 GEADLO COCCN(C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC1 ZINC000566545948 532616145 /nfs/dbraw/zinc/61/61/45/532616145.db2.gz YZPPTJKDYCILBE-UHFFFAOYSA-N 1 2 399.289 2.323 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000376612223 532620406 /nfs/dbraw/zinc/62/04/06/532620406.db2.gz LIVYGGOFAGINDT-WCQYABFASA-N 1 2 379.511 2.015 20 0 GEADLO Cc1cc(Br)cc2c(C(=O)NCCC[N@@H+]3CCNC(=O)C3)coc21 ZINC000474531766 532621001 /nfs/dbraw/zinc/62/10/01/532621001.db2.gz VQMYLOJFDKXIGM-UHFFFAOYSA-N 1 2 394.269 2.055 20 0 GEADLO Cc1cc(Br)cc2c(C(=O)NCCC[N@H+]3CCNC(=O)C3)coc21 ZINC000474531766 532621004 /nfs/dbraw/zinc/62/10/04/532621004.db2.gz VQMYLOJFDKXIGM-UHFFFAOYSA-N 1 2 394.269 2.055 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@@H]21 ZINC000284802676 532621357 /nfs/dbraw/zinc/62/13/57/532621357.db2.gz MMSCBARIGNMEME-OLZOCXBDSA-N 1 2 381.267 2.172 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@@H]21 ZINC000284802676 532621360 /nfs/dbraw/zinc/62/13/60/532621360.db2.gz MMSCBARIGNMEME-OLZOCXBDSA-N 1 2 381.267 2.172 20 0 GEADLO Cc1csc(-c2ccc(S(=O)(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000655539603 532596648 /nfs/dbraw/zinc/59/66/48/532596648.db2.gz RJQRKBHJYJEVJU-BBRMVZONSA-N 1 2 381.523 2.116 20 0 GEADLO Cc1csc(-c2ccc(S(=O)(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000655539603 532596651 /nfs/dbraw/zinc/59/66/51/532596651.db2.gz RJQRKBHJYJEVJU-BBRMVZONSA-N 1 2 381.523 2.116 20 0 GEADLO O=C(CCCn1cc[nH+]c1)Nc1cc(N2CCCS2(=O)=O)ccc1Cl ZINC000596554102 532597530 /nfs/dbraw/zinc/59/75/30/532597530.db2.gz UDNBCHOLACAGML-UHFFFAOYSA-N 1 2 382.873 2.495 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000434698715 532600393 /nfs/dbraw/zinc/60/03/93/532600393.db2.gz WPOUUWSEECNSIB-OAHLLOKOSA-N 1 2 384.318 2.018 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000434698715 532600395 /nfs/dbraw/zinc/60/03/95/532600395.db2.gz WPOUUWSEECNSIB-OAHLLOKOSA-N 1 2 384.318 2.018 20 0 GEADLO C[N@H+](CCN1CCOC(C)(C)C1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000434698715 532600401 /nfs/dbraw/zinc/60/04/01/532600401.db2.gz WPOUUWSEECNSIB-OAHLLOKOSA-N 1 2 384.318 2.018 20 0 GEADLO C[N@@H+](CCN1CCOC(C)(C)C1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000434698715 532600405 /nfs/dbraw/zinc/60/04/05/532600405.db2.gz WPOUUWSEECNSIB-OAHLLOKOSA-N 1 2 384.318 2.018 20 0 GEADLO Cc1nc2scc(C3CC3)n2c1C[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000297646887 532600525 /nfs/dbraw/zinc/60/05/25/532600525.db2.gz ISGOASTXASIWPJ-UHFFFAOYSA-N 1 2 375.527 2.338 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCSC(C)(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000434715294 532600670 /nfs/dbraw/zinc/60/06/70/532600670.db2.gz XMWAMVSROUCKII-HNNXBMFYSA-N 1 2 376.588 2.020 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCSC(C)(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000434715294 532600674 /nfs/dbraw/zinc/60/06/74/532600674.db2.gz XMWAMVSROUCKII-HNNXBMFYSA-N 1 2 376.588 2.020 20 0 GEADLO CC(C)(C)N1CC[C@@H]([NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)C1=O ZINC000566240574 532602523 /nfs/dbraw/zinc/60/25/23/532602523.db2.gz HGTUNRYLWIWKMS-CHWSQXEVSA-N 1 2 386.265 2.104 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnc(Br)c(Cl)c1 ZINC000284572515 532602743 /nfs/dbraw/zinc/60/27/43/532602743.db2.gz FUDJFCONWAFMFD-JTQLQIEISA-N 1 2 376.682 2.290 20 0 GEADLO CO[C@@H]1CCC[C@H]1S(=O)(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000632327086 532602949 /nfs/dbraw/zinc/60/29/49/532602949.db2.gz ORIRCVLTMVZQIL-WMHQRMGPSA-N 1 2 376.519 2.147 20 0 GEADLO CO[C@@H]1CCC[C@H]1S(=O)(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000632327086 532602956 /nfs/dbraw/zinc/60/29/56/532602956.db2.gz ORIRCVLTMVZQIL-WMHQRMGPSA-N 1 2 376.519 2.147 20 0 GEADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cc(O)cc(Br)c2)CC1 ZINC000529471451 532603152 /nfs/dbraw/zinc/60/31/52/532603152.db2.gz XRHSZKPWCJXBBA-UHFFFAOYSA-N 1 2 384.318 2.301 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc(F)c1Br ZINC000297687810 532603101 /nfs/dbraw/zinc/60/31/01/532603101.db2.gz AAYCQPUTAZROOZ-UHFFFAOYSA-N 1 2 383.221 2.238 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000566306246 532603571 /nfs/dbraw/zinc/60/35/71/532603571.db2.gz JWURKEHWLFMJBZ-MRXNPFEDSA-N 1 2 381.885 2.174 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000566306246 532603578 /nfs/dbraw/zinc/60/35/78/532603578.db2.gz JWURKEHWLFMJBZ-MRXNPFEDSA-N 1 2 381.885 2.174 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)n1 ZINC000656154929 532604782 /nfs/dbraw/zinc/60/47/82/532604782.db2.gz CBBOWJMHBZQBJE-UHFFFAOYSA-N 1 2 381.278 2.309 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000632356669 532605203 /nfs/dbraw/zinc/60/52/03/532605203.db2.gz XZSPFECISZVJHU-UHFFFAOYSA-N 1 2 379.309 2.087 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CCC[C@@H]([NH+]4CCOCC4)C3)cc2s1 ZINC000632385120 532607814 /nfs/dbraw/zinc/60/78/14/532607814.db2.gz ALVLQVDKYDEJPQ-CQSZACIVSA-N 1 2 381.523 2.090 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccnc1Br)C(C)(C)CO ZINC000297792040 532608489 /nfs/dbraw/zinc/60/84/89/532608489.db2.gz WUPXOYPXUMAYAQ-LLVKDONJSA-N 1 2 382.262 2.459 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(OC)c1 ZINC000284798058 532621885 /nfs/dbraw/zinc/62/18/85/532621885.db2.gz ZRMPPGGYTQDFNN-KGLIPLIRSA-N 1 2 384.274 2.064 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(OC)c1 ZINC000284798058 532621888 /nfs/dbraw/zinc/62/18/88/532621888.db2.gz ZRMPPGGYTQDFNN-KGLIPLIRSA-N 1 2 384.274 2.064 20 0 GEADLO Cc1nc2cc(Cl)c(NC(=O)NC[C@H](O)C[NH+]3CCOCC3)cc2s1 ZINC000435171372 532608852 /nfs/dbraw/zinc/60/88/52/532608852.db2.gz PKHWVKNYWQGRHL-NSHDSACASA-N 1 2 384.889 2.073 20 0 GEADLO Cc1nc(S(=O)(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)sc1C ZINC000435224979 532610229 /nfs/dbraw/zinc/61/02/29/532610229.db2.gz HASXOFSSAWUZHR-UHFFFAOYSA-N 1 2 387.571 2.321 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000376450180 532613088 /nfs/dbraw/zinc/61/30/88/532613088.db2.gz PDHNJFSEUJESEX-MNOVXSKESA-N 1 2 378.466 2.443 20 0 GEADLO CS(=O)(=O)CCCC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435333583 532613409 /nfs/dbraw/zinc/61/34/09/532613409.db2.gz RFQUGNSVGJVLFI-UHFFFAOYSA-N 1 2 383.901 2.390 20 0 GEADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1C[C@H](O)COc1cccc(Br)c1 ZINC000376648646 532623205 /nfs/dbraw/zinc/62/32/05/532623205.db2.gz KMHNDDHYHJFSRK-YLGBZRSBSA-N 1 2 376.316 2.032 20 0 GEADLO C[C@@H]1CC[S@](=O)CC[N@H+]1C[C@H](O)COc1cccc(Br)c1 ZINC000376648646 532623212 /nfs/dbraw/zinc/62/32/12/532623212.db2.gz KMHNDDHYHJFSRK-YLGBZRSBSA-N 1 2 376.316 2.032 20 0 GEADLO Cc1nc(N2CC[N@@H+](C)[C@@H](c3ccccc3Cl)C2)sc1S(N)(=O)=O ZINC000377137642 532645896 /nfs/dbraw/zinc/64/58/96/532645896.db2.gz ACCWENFPWYUWGR-CYBMUJFWSA-N 1 2 386.930 2.245 20 0 GEADLO Cc1nc(N2CC[N@H+](C)[C@@H](c3ccccc3Cl)C2)sc1S(N)(=O)=O ZINC000377137642 532645901 /nfs/dbraw/zinc/64/59/01/532645901.db2.gz ACCWENFPWYUWGR-CYBMUJFWSA-N 1 2 386.930 2.245 20 0 GEADLO CCOc1cc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc(Cl)c1O ZINC000298080542 532623609 /nfs/dbraw/zinc/62/36/09/532623609.db2.gz LVFJXKABKOOSDZ-CQSZACIVSA-N 1 2 388.917 2.444 20 0 GEADLO CCOc1cc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc(Cl)c1O ZINC000298080542 532623617 /nfs/dbraw/zinc/62/36/17/532623617.db2.gz LVFJXKABKOOSDZ-CQSZACIVSA-N 1 2 388.917 2.444 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)c1cccs1 ZINC000284918466 532630842 /nfs/dbraw/zinc/63/08/42/532630842.db2.gz NCEBMODRECGFLZ-LSDHHAIUSA-N 1 2 378.519 2.428 20 0 GEADLO Cc1c[nH+]ccc1NC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000376819464 532632050 /nfs/dbraw/zinc/63/20/50/532632050.db2.gz RVZGURKNPXGTFH-OAHLLOKOSA-N 1 2 389.253 2.279 20 0 GEADLO Cc1cc(Br)cn2cc(CCNc3cncc(OCCO)n3)[nH+]c12 ZINC000436437340 532633607 /nfs/dbraw/zinc/63/36/07/532633607.db2.gz FQBKQIDYZBIRGV-UHFFFAOYSA-N 1 2 392.257 2.221 20 0 GEADLO COc1cc(Br)c(S(=O)(=O)N(C)Cc2c[nH+]c[nH]2)cc1OC ZINC000566985750 532634076 /nfs/dbraw/zinc/63/40/76/532634076.db2.gz WSZLWPBHSLIDJU-UHFFFAOYSA-N 1 2 390.259 2.010 20 0 GEADLO COc1cc(Br)c(S(=O)(=O)N(C)Cc2c[nH]c[nH+]2)cc1OC ZINC000566985750 532634084 /nfs/dbraw/zinc/63/40/84/532634084.db2.gz WSZLWPBHSLIDJU-UHFFFAOYSA-N 1 2 390.259 2.010 20 0 GEADLO O=S(=O)(NCCc1cn2c([nH+]1)CCCC2)c1c(Cl)ccnc1Cl ZINC000376879760 532634496 /nfs/dbraw/zinc/63/44/96/532634496.db2.gz IVGFUHUPWJQDQZ-UHFFFAOYSA-N 1 2 375.281 2.442 20 0 GEADLO O=S(=O)(NCc1ccc(N2CCCC2)[nH+]c1)c1ncccc1Br ZINC000656871022 532634460 /nfs/dbraw/zinc/63/44/60/532634460.db2.gz VIRFLFRHBHFKLZ-UHFFFAOYSA-N 1 2 397.298 2.318 20 0 GEADLO CCOC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000475018612 532635452 /nfs/dbraw/zinc/63/54/52/532635452.db2.gz QCXNCDJAECQFCM-QGZVFWFLSA-N 1 2 389.279 2.065 20 0 GEADLO CCOC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000475036064 532635628 /nfs/dbraw/zinc/63/56/28/532635628.db2.gz VOSUOONUYIPHCU-QGZVFWFLSA-N 1 2 389.279 2.065 20 0 GEADLO C[C@H](O)CCC[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000475058699 532636648 /nfs/dbraw/zinc/63/66/48/532636648.db2.gz BBOYCLKSSSBFKY-ZDUSSCGKSA-N 1 2 380.432 2.173 20 0 GEADLO CCOC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000475043101 532636734 /nfs/dbraw/zinc/63/67/34/532636734.db2.gz UBRIUDPDZUZDTH-QGZVFWFLSA-N 1 2 382.507 2.035 20 0 GEADLO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656885533 532639686 /nfs/dbraw/zinc/63/96/86/532639686.db2.gz MQOKYFWONGXZHJ-APIJFGDWSA-N 1 2 386.480 2.478 20 0 GEADLO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656885533 532639690 /nfs/dbraw/zinc/63/96/90/532639690.db2.gz MQOKYFWONGXZHJ-APIJFGDWSA-N 1 2 386.480 2.478 20 0 GEADLO CC[C@@H](CO)N(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000298322671 532641427 /nfs/dbraw/zinc/64/14/27/532641427.db2.gz OCCNZAHLNIJAEG-AWEZNQCLSA-N 1 2 383.290 2.360 20 0 GEADLO CC(C)(CNS(=O)(=O)c1ccc(F)cc1Br)n1cc[nH+]c1 ZINC000632732015 532642291 /nfs/dbraw/zinc/64/22/91/532642291.db2.gz ZTLPVZXIKYJYGH-UHFFFAOYSA-N 1 2 376.251 2.498 20 0 GEADLO CC(C)[C@H]1CC[N@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000532038760 532643945 /nfs/dbraw/zinc/64/39/45/532643945.db2.gz UUFOPOKPJAUCNZ-HOTGVXAUSA-N 1 2 384.567 2.242 20 0 GEADLO CC(C)[C@H]1CC[N@@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000532038760 532643951 /nfs/dbraw/zinc/64/39/51/532643951.db2.gz UUFOPOKPJAUCNZ-HOTGVXAUSA-N 1 2 384.567 2.242 20 0 GEADLO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ncc(I)s2)CN1 ZINC000377551720 532660200 /nfs/dbraw/zinc/66/02/00/532660200.db2.gz ZWCGVWUNJRSRKS-NXEZZACHSA-N 1 2 391.278 2.238 20 0 GEADLO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ncc(I)s2)CN1 ZINC000377551720 532660206 /nfs/dbraw/zinc/66/02/06/532660206.db2.gz ZWCGVWUNJRSRKS-NXEZZACHSA-N 1 2 391.278 2.238 20 0 GEADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCS[C@H](C)C2)cc1 ZINC000264093059 532660852 /nfs/dbraw/zinc/66/08/52/532660852.db2.gz GWFPRCYEMYQBMX-KGLIPLIRSA-N 1 2 385.555 2.138 20 0 GEADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCS[C@H](C)C2)cc1 ZINC000264093059 532660854 /nfs/dbraw/zinc/66/08/54/532660854.db2.gz GWFPRCYEMYQBMX-KGLIPLIRSA-N 1 2 385.555 2.138 20 0 GEADLO CN(C)C(=O)c1cccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000478940820 532663077 /nfs/dbraw/zinc/66/30/77/532663077.db2.gz SJSKFWZQIUAGDV-INIZCTEOSA-N 1 2 390.281 2.467 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1 ZINC000599515861 532664523 /nfs/dbraw/zinc/66/45/23/532664523.db2.gz WLCCABAHHVDKIM-PHIMTYICSA-N 1 2 375.441 2.410 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1 ZINC000599515861 532664527 /nfs/dbraw/zinc/66/45/27/532664527.db2.gz WLCCABAHHVDKIM-PHIMTYICSA-N 1 2 375.441 2.410 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC1 ZINC000264270639 532668352 /nfs/dbraw/zinc/66/83/52/532668352.db2.gz RUUPMCYKNBSOGI-UHFFFAOYSA-N 1 2 383.279 2.369 20 0 GEADLO C[N@@H+]1CCN(C(=O)CC(=O)NCC(F)(F)F)C[C@@H]1c1ccccc1Cl ZINC000377193851 532646817 /nfs/dbraw/zinc/64/68/17/532646817.db2.gz BNWACEYSXXFSBG-CYBMUJFWSA-N 1 2 377.794 2.224 20 0 GEADLO C[N@H+]1CCN(C(=O)CC(=O)NCC(F)(F)F)C[C@@H]1c1ccccc1Cl ZINC000377193851 532646826 /nfs/dbraw/zinc/64/68/26/532646826.db2.gz BNWACEYSXXFSBG-CYBMUJFWSA-N 1 2 377.794 2.224 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000263879132 532646881 /nfs/dbraw/zinc/64/68/81/532646881.db2.gz PHHAHKLTGFEAMK-UHFFFAOYSA-N 1 2 393.285 2.039 20 0 GEADLO Cc1ccc(Br)c(C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)c1 ZINC000477125810 532647281 /nfs/dbraw/zinc/64/72/81/532647281.db2.gz YLIIAWBKLONDTA-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(Br)cc(Cl)c1O ZINC000436984052 532648232 /nfs/dbraw/zinc/64/82/32/532648232.db2.gz LORSKBARQYQBHB-AWEZNQCLSA-N 1 2 379.682 2.241 20 0 GEADLO C[C@@H](NC(=O)NCc1csc(Br)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000264259828 532668799 /nfs/dbraw/zinc/66/87/99/532668799.db2.gz LSVMVXDSMOTRFL-GHMZBOCLSA-N 1 2 376.320 2.419 20 0 GEADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)o2)CC1 ZINC000298442621 532650273 /nfs/dbraw/zinc/65/02/73/532650273.db2.gz DEMRKLJOUTYDRQ-NSHDSACASA-N 1 2 387.274 2.274 20 0 GEADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)o2)CC1 ZINC000298442621 532650281 /nfs/dbraw/zinc/65/02/81/532650281.db2.gz DEMRKLJOUTYDRQ-NSHDSACASA-N 1 2 387.274 2.274 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@]34CCc3cc(Br)ccc34)C[C@@H]21 ZINC000377328803 532652498 /nfs/dbraw/zinc/65/24/98/532652498.db2.gz DFLYTMPIAXUQAC-IMBTUZDBSA-N 1 2 391.309 2.194 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@]34CCc3cc(Br)ccc34)C[C@@H]21 ZINC000377328803 532652504 /nfs/dbraw/zinc/65/25/04/532652504.db2.gz DFLYTMPIAXUQAC-IMBTUZDBSA-N 1 2 391.309 2.194 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)cc1Br ZINC000437227225 532653447 /nfs/dbraw/zinc/65/34/47/532653447.db2.gz QYYOYWLVTIRRRH-UHFFFAOYSA-N 1 2 382.239 2.300 20 0 GEADLO CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000263974696 532653455 /nfs/dbraw/zinc/65/34/55/532653455.db2.gz BXLQHWGVFYKJSN-UHFFFAOYSA-N 1 2 379.507 2.106 20 0 GEADLO CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000263974696 532653457 /nfs/dbraw/zinc/65/34/57/532653457.db2.gz BXLQHWGVFYKJSN-UHFFFAOYSA-N 1 2 379.507 2.106 20 0 GEADLO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1)c1cccs1 ZINC000263994800 532654833 /nfs/dbraw/zinc/65/48/33/532654833.db2.gz LKOADQIZUANBTB-STQMWFEESA-N 1 2 381.523 2.266 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1)c1cccs1 ZINC000263994800 532654839 /nfs/dbraw/zinc/65/48/39/532654839.db2.gz LKOADQIZUANBTB-STQMWFEESA-N 1 2 381.523 2.266 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2ccc(C)c(I)c2)CC1 ZINC000263977672 532655148 /nfs/dbraw/zinc/65/51/48/532655148.db2.gz YFXBBIMHIFOYQS-UHFFFAOYSA-N 1 2 388.249 2.004 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000298545036 532658273 /nfs/dbraw/zinc/65/82/73/532658273.db2.gz CFZBOOLNNJBNHC-IUODEOHRSA-N 1 2 376.316 2.239 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000298545036 532658278 /nfs/dbraw/zinc/65/82/78/532658278.db2.gz CFZBOOLNNJBNHC-IUODEOHRSA-N 1 2 376.316 2.239 20 0 GEADLO COc1c(Br)ccc(C)c1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000567704112 532658261 /nfs/dbraw/zinc/65/82/61/532658261.db2.gz QYUSJSCQSVTEOW-UHFFFAOYSA-N 1 2 383.286 2.361 20 0 GEADLO O=C(COc1ccc(I)cc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378198268 532683909 /nfs/dbraw/zinc/68/39/09/532683909.db2.gz FKTVLPYUFVWNAJ-NSHDSACASA-N 1 2 397.216 2.067 20 0 GEADLO O=C(COc1ccc(I)cc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378198268 532683911 /nfs/dbraw/zinc/68/39/11/532683911.db2.gz FKTVLPYUFVWNAJ-NSHDSACASA-N 1 2 397.216 2.067 20 0 GEADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cnn4cc(Br)cnc34)[C@@H]2C1 ZINC000638180061 532683986 /nfs/dbraw/zinc/68/39/86/532683986.db2.gz LAPBTUXWOAESAC-KFWWJZLASA-N 1 2 381.274 2.260 20 0 GEADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cnn4cc(Br)cnc34)[C@@H]2C1 ZINC000638180061 532683989 /nfs/dbraw/zinc/68/39/89/532683989.db2.gz LAPBTUXWOAESAC-KFWWJZLASA-N 1 2 381.274 2.260 20 0 GEADLO Cc1ncc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)c(=O)[nH]1 ZINC000568699448 532684646 /nfs/dbraw/zinc/68/46/46/532684646.db2.gz XAAUVQDSWCWBDE-UHFFFAOYSA-N 1 2 375.230 2.124 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3cc(C)ns3)CC2)cc1 ZINC000638177131 532684635 /nfs/dbraw/zinc/68/46/35/532684635.db2.gz JOKJXIDMMAFMGR-UHFFFAOYSA-N 1 2 381.523 2.357 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3cc(C)ns3)CC2)cc1 ZINC000638177131 532684642 /nfs/dbraw/zinc/68/46/42/532684642.db2.gz JOKJXIDMMAFMGR-UHFFFAOYSA-N 1 2 381.523 2.357 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000264321247 532670077 /nfs/dbraw/zinc/67/00/77/532670077.db2.gz QJKNJICGBNBUPT-UHFFFAOYSA-N 1 2 381.885 2.476 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc(F)ccc1Br ZINC000264301743 532670191 /nfs/dbraw/zinc/67/01/91/532670191.db2.gz MDPYOZWHLIPACJ-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000264304337 532670927 /nfs/dbraw/zinc/67/09/27/532670927.db2.gz ZOXNWBIMOIJJEC-DOMZBBRYSA-N 1 2 378.885 2.257 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298733354 532671084 /nfs/dbraw/zinc/67/10/84/532671084.db2.gz HOGVQQXPTCFIOD-KGLIPLIRSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298733354 532671091 /nfs/dbraw/zinc/67/10/91/532671091.db2.gz HOGVQQXPTCFIOD-KGLIPLIRSA-N 1 2 387.933 2.237 20 0 GEADLO Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000568242596 532673539 /nfs/dbraw/zinc/67/35/39/532673539.db2.gz PFJOEAPHYVHAJQ-LLVKDONJSA-N 1 2 388.273 2.399 20 0 GEADLO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl)C(=O)OC ZINC000483237403 532674046 /nfs/dbraw/zinc/67/40/46/532674046.db2.gz QIRNUGZWEOLOPK-OWRWGESLSA-N 1 2 391.295 2.320 20 0 GEADLO O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377939866 532674174 /nfs/dbraw/zinc/67/41/74/532674174.db2.gz CEZJOWIVMNWECU-SECBINFHSA-N 1 2 397.660 2.438 20 0 GEADLO O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377939866 532674178 /nfs/dbraw/zinc/67/41/78/532674178.db2.gz CEZJOWIVMNWECU-SECBINFHSA-N 1 2 397.660 2.438 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CCC[C@](F)(CO)C1 ZINC000483277211 532675452 /nfs/dbraw/zinc/67/54/52/532675452.db2.gz QXEQNUVWAMBSKC-OAHLLOKOSA-N 1 2 385.237 2.103 20 0 GEADLO NS(=O)(=O)c1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)co1 ZINC000660776790 532675704 /nfs/dbraw/zinc/67/57/04/532675704.db2.gz OPPQNLYRCBQBIP-LBPRGKRZSA-N 1 2 382.404 2.108 20 0 GEADLO NS(=O)(=O)c1cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)co1 ZINC000660776790 532675712 /nfs/dbraw/zinc/67/57/12/532675712.db2.gz OPPQNLYRCBQBIP-LBPRGKRZSA-N 1 2 382.404 2.108 20 0 GEADLO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1Br ZINC000484272921 532677112 /nfs/dbraw/zinc/67/71/12/532677112.db2.gz RBHDDTBWMOGBOF-JTQLQIEISA-N 1 2 395.232 2.163 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000298819913 532677110 /nfs/dbraw/zinc/67/71/10/532677110.db2.gz YBWGMBMDWKUNTL-VIFPVBQESA-N 1 2 389.235 2.213 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000298819913 532677119 /nfs/dbraw/zinc/67/71/19/532677119.db2.gz YBWGMBMDWKUNTL-VIFPVBQESA-N 1 2 389.235 2.213 20 0 GEADLO CC1(C)C(=O)N[C@H]1C1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000568468184 532678888 /nfs/dbraw/zinc/67/88/88/532678888.db2.gz BZXCFICPYOAFBZ-GJZGRUSLSA-N 1 2 394.313 2.212 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3C[C@H]3c3ccc(Br)s3)C[C@@H]21 ZINC000378068391 532679145 /nfs/dbraw/zinc/67/91/45/532679145.db2.gz JDQLZTNWWJJUSQ-WISYIIOYSA-N 1 2 386.315 2.091 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3C[C@H]3c3ccc(Br)s3)C[C@@H]21 ZINC000378068391 532679146 /nfs/dbraw/zinc/67/91/46/532679146.db2.gz JDQLZTNWWJJUSQ-WISYIIOYSA-N 1 2 386.315 2.091 20 0 GEADLO Cc1ccsc1-c1nnc(NC(=O)C[N@@H+]2CCS[C@@H]3COCC[C@H]32)o1 ZINC000535321777 532679682 /nfs/dbraw/zinc/67/96/82/532679682.db2.gz NQIOCNHEXFKPLI-VXGBXAGGSA-N 1 2 380.495 2.251 20 0 GEADLO Cc1ccsc1-c1nnc(NC(=O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)o1 ZINC000535321777 532679690 /nfs/dbraw/zinc/67/96/90/532679690.db2.gz NQIOCNHEXFKPLI-VXGBXAGGSA-N 1 2 380.495 2.251 20 0 GEADLO COc1cc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)c(F)cc1Br ZINC000638107419 532680198 /nfs/dbraw/zinc/68/01/98/532680198.db2.gz FJGMHTJABYJVHY-SNVBAGLBSA-N 1 2 380.279 2.463 20 0 GEADLO COc1cc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c(F)cc1Br ZINC000638107419 532680201 /nfs/dbraw/zinc/68/02/01/532680201.db2.gz FJGMHTJABYJVHY-SNVBAGLBSA-N 1 2 380.279 2.463 20 0 GEADLO C[N@H+](Cc1nccs1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638106265 532680328 /nfs/dbraw/zinc/68/03/28/532680328.db2.gz NYMPAHCXLIZESG-UHFFFAOYSA-N 1 2 376.301 2.185 20 0 GEADLO C[N@@H+](Cc1nccs1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638106265 532680335 /nfs/dbraw/zinc/68/03/35/532680335.db2.gz NYMPAHCXLIZESG-UHFFFAOYSA-N 1 2 376.301 2.185 20 0 GEADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000638123013 532681467 /nfs/dbraw/zinc/68/14/67/532681467.db2.gz RMOQRTYQXVWBQD-CABCVRRESA-N 1 2 387.933 2.209 20 0 GEADLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000638123013 532681471 /nfs/dbraw/zinc/68/14/71/532681471.db2.gz RMOQRTYQXVWBQD-CABCVRRESA-N 1 2 387.933 2.209 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)o1 ZINC000638138985 532682437 /nfs/dbraw/zinc/68/24/37/532682437.db2.gz RGUPGAJZXDXJDQ-UHFFFAOYSA-N 1 2 379.265 2.228 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)o1 ZINC000638138985 532682446 /nfs/dbraw/zinc/68/24/46/532682446.db2.gz RGUPGAJZXDXJDQ-UHFFFAOYSA-N 1 2 379.265 2.228 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285478273 532682689 /nfs/dbraw/zinc/68/26/89/532682689.db2.gz CMZHAMKASURYGK-CQSZACIVSA-N 1 2 387.933 2.190 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285478273 532682695 /nfs/dbraw/zinc/68/26/95/532682695.db2.gz CMZHAMKASURYGK-CQSZACIVSA-N 1 2 387.933 2.190 20 0 GEADLO CC(C)c1nc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)cn1C ZINC000568607342 532683535 /nfs/dbraw/zinc/68/35/35/532683535.db2.gz RFNDICYMBVYFEO-UHFFFAOYSA-N 1 2 382.555 2.154 20 0 GEADLO COc1ncc(Br)cc1C[NH2+][C@H](c1nccn1C)C(C)(C)CO ZINC000639223534 532691817 /nfs/dbraw/zinc/69/18/17/532691817.db2.gz AVIGOIWTYJDXIN-CYBMUJFWSA-N 1 2 383.290 2.436 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc(Cl)c1OC ZINC000378372992 532692854 /nfs/dbraw/zinc/69/28/54/532692854.db2.gz SOSWTTDDFZIKTM-ZDUSSCGKSA-N 1 2 376.906 2.259 20 0 GEADLO COc1cc(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc(Cl)c1OC ZINC000378372992 532692858 /nfs/dbraw/zinc/69/28/58/532692858.db2.gz SOSWTTDDFZIKTM-ZDUSSCGKSA-N 1 2 376.906 2.259 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285576846 532693881 /nfs/dbraw/zinc/69/38/81/532693881.db2.gz KPUMNYFNINIGEV-ZIAGYGMSSA-N 1 2 387.933 2.270 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285576846 532693886 /nfs/dbraw/zinc/69/38/86/532693886.db2.gz KPUMNYFNINIGEV-ZIAGYGMSSA-N 1 2 387.933 2.270 20 0 GEADLO CN(CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000378413898 532694241 /nfs/dbraw/zinc/69/42/41/532694241.db2.gz XHXGEUOTVQBSKK-AWEZNQCLSA-N 1 2 382.873 2.047 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665318968 532695160 /nfs/dbraw/zinc/69/51/60/532695160.db2.gz HQWSSEVJRXJGFY-LLVKDONJSA-N 1 2 391.269 2.374 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665318968 532695167 /nfs/dbraw/zinc/69/51/67/532695167.db2.gz HQWSSEVJRXJGFY-LLVKDONJSA-N 1 2 391.269 2.374 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N(C)Cc2cscn2)CC1 ZINC000299227458 532702986 /nfs/dbraw/zinc/70/29/86/532702986.db2.gz XNVRMHQCUIUPEJ-CYBMUJFWSA-N 1 2 378.523 2.068 20 0 GEADLO O=C(CNc1cc(N2CCOCC2)nc[nH+]1)Nc1ccc(Br)cc1 ZINC000265445152 532696505 /nfs/dbraw/zinc/69/65/05/532696505.db2.gz RJGAZTXFDQAUMI-UHFFFAOYSA-N 1 2 392.257 2.126 20 0 GEADLO O=C(CNc1cc(N2CCOCC2)[nH+]cn1)Nc1ccc(Br)cc1 ZINC000265445152 532696507 /nfs/dbraw/zinc/69/65/07/532696507.db2.gz RJGAZTXFDQAUMI-UHFFFAOYSA-N 1 2 392.257 2.126 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000285667655 532696655 /nfs/dbraw/zinc/69/66/55/532696655.db2.gz QCTDNYAADYMNRR-GFCCVEGCSA-N 1 2 384.889 2.246 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000285667655 532696659 /nfs/dbraw/zinc/69/66/59/532696659.db2.gz QCTDNYAADYMNRR-GFCCVEGCSA-N 1 2 384.889 2.246 20 0 GEADLO COc1cc(CNC(=O)NCc2c[nH+]cn2C)cc(Br)c1OC ZINC000569537916 532698043 /nfs/dbraw/zinc/69/80/43/532698043.db2.gz NSQBYRZAOLJYDA-UHFFFAOYSA-N 1 2 383.246 2.199 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000285669672 532698234 /nfs/dbraw/zinc/69/82/34/532698234.db2.gz QHGSYXLZYAPCPI-IUODEOHRSA-N 1 2 381.325 2.383 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000285669672 532698241 /nfs/dbraw/zinc/69/82/41/532698241.db2.gz QHGSYXLZYAPCPI-IUODEOHRSA-N 1 2 381.325 2.383 20 0 GEADLO O=C(Nc1ccc2[nH+]ccn2c1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000603809095 532698597 /nfs/dbraw/zinc/69/85/97/532698597.db2.gz NENUUEWUEZVNTB-UHFFFAOYSA-N 1 2 376.463 2.433 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000569550084 532699387 /nfs/dbraw/zinc/69/93/87/532699387.db2.gz RFMFQIOMTPNZAP-QWHCGFSZSA-N 1 2 378.947 2.259 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000285734709 532702023 /nfs/dbraw/zinc/70/20/23/532702023.db2.gz KLRYDHFNOIKQCU-LLVKDONJSA-N 1 2 377.242 2.262 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Br)cn1 ZINC000382406854 532702108 /nfs/dbraw/zinc/70/21/08/532702108.db2.gz XRJIOWAGILVCSV-MRXNPFEDSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Br)cn1 ZINC000382406854 532702112 /nfs/dbraw/zinc/70/21/12/532702112.db2.gz XRJIOWAGILVCSV-MRXNPFEDSA-N 1 2 390.281 2.475 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285726975 532702191 /nfs/dbraw/zinc/70/21/91/532702191.db2.gz UXWBKTSKKHGKPH-ZFWWWQNUSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285726975 532702198 /nfs/dbraw/zinc/70/21/98/532702198.db2.gz UXWBKTSKKHGKPH-ZFWWWQNUSA-N 1 2 387.933 2.331 20 0 GEADLO COc1ccc(Br)c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000382549253 532702401 /nfs/dbraw/zinc/70/24/01/532702401.db2.gz FLFRPIFCADVRSX-CYBMUJFWSA-N 1 2 383.286 2.395 20 0 GEADLO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000299229344 532702738 /nfs/dbraw/zinc/70/27/38/532702738.db2.gz PJVMMDITFHGCJK-RDJZCZTQSA-N 1 2 384.567 2.384 20 0 GEADLO CC(C)[C@@H]1CCC[N@H+]1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000299229344 532702745 /nfs/dbraw/zinc/70/27/45/532702745.db2.gz PJVMMDITFHGCJK-RDJZCZTQSA-N 1 2 384.567 2.384 20 0 GEADLO Cc1nc(N[C@H]2CCCN(Cc3nccn3C)C2=O)c(Br)c(C)[nH+]1 ZINC000663789952 532686992 /nfs/dbraw/zinc/68/69/92/532686992.db2.gz VFNPDUVXHPHOAZ-LBPRGKRZSA-N 1 2 393.289 2.193 20 0 GEADLO O=C(c1cc(I)c[nH]1)N1CC[NH+](Cc2ccco2)CC1 ZINC000265216194 532688260 /nfs/dbraw/zinc/68/82/60/532688260.db2.gz MHAZIOIBFCFZCL-UHFFFAOYSA-N 1 2 385.205 2.170 20 0 GEADLO Cn1cc(Br)c(CNc2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)n1 ZINC000663965469 532688302 /nfs/dbraw/zinc/68/83/02/532688302.db2.gz GFZATGNVPJIJIQ-UHFFFAOYSA-N 1 2 379.266 2.272 20 0 GEADLO COC(=O)CC1([NH2+]Cc2ncc(-c3cccs3)o2)CCS(=O)(=O)CC1 ZINC000439274722 532688842 /nfs/dbraw/zinc/68/88/42/532688842.db2.gz OERRNSLEYMDXAS-UHFFFAOYSA-N 1 2 384.479 2.003 20 0 GEADLO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000378296786 532689033 /nfs/dbraw/zinc/68/90/33/532689033.db2.gz WFIVICSMNGSMOO-GFCCVEGCSA-N 1 2 379.309 2.230 20 0 GEADLO O=C(C[N@@H+]1CCO[C@@]2(CCSC2)C1)NCCc1nc2ccccc2s1 ZINC000569689390 532703628 /nfs/dbraw/zinc/70/36/28/532703628.db2.gz IDEMSVDWCULGOC-SFHVURJKSA-N 1 2 377.535 2.163 20 0 GEADLO O=C(C[N@H+]1CCO[C@@]2(CCSC2)C1)NCCc1nc2ccccc2s1 ZINC000569689390 532703634 /nfs/dbraw/zinc/70/36/34/532703634.db2.gz IDEMSVDWCULGOC-SFHVURJKSA-N 1 2 377.535 2.163 20 0 GEADLO O=S(=O)(NCc1ccc(N2CCCC2)[nH+]c1)c1cncc(Br)c1 ZINC000299259824 532705510 /nfs/dbraw/zinc/70/55/10/532705510.db2.gz XDRZRGSKSBTRAE-UHFFFAOYSA-N 1 2 397.298 2.318 20 0 GEADLO COCC[N@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1scnc1C ZINC000489496588 532706026 /nfs/dbraw/zinc/70/60/26/532706026.db2.gz MXDFOCVSTLTARD-UHFFFAOYSA-N 1 2 384.523 2.382 20 0 GEADLO COCC[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1scnc1C ZINC000489496588 532706030 /nfs/dbraw/zinc/70/60/30/532706030.db2.gz MXDFOCVSTLTARD-UHFFFAOYSA-N 1 2 384.523 2.382 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)Cc2[nH+]ccn2C)c(F)c1Cl ZINC000266200528 532707030 /nfs/dbraw/zinc/70/70/30/532707030.db2.gz KNRBKOXYCHMSSP-UHFFFAOYSA-N 1 2 392.815 2.131 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccc(Br)c3ncccc23)C1 ZINC000667868038 532709305 /nfs/dbraw/zinc/70/93/05/532709305.db2.gz PSSLHIHWCSUWPV-GFCCVEGCSA-N 1 2 392.301 2.365 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccc(Br)c3ncccc23)C1 ZINC000667868038 532709311 /nfs/dbraw/zinc/70/93/11/532709311.db2.gz PSSLHIHWCSUWPV-GFCCVEGCSA-N 1 2 392.301 2.365 20 0 GEADLO O=C(NC[C@H](O)C(F)F)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000489583795 532709712 /nfs/dbraw/zinc/70/97/12/532709712.db2.gz JICLRPDVLXRQMF-OCCSQVGLSA-N 1 2 379.810 2.369 20 0 GEADLO O=C(NC[C@H](O)C(F)F)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000489583795 532709718 /nfs/dbraw/zinc/70/97/18/532709718.db2.gz JICLRPDVLXRQMF-OCCSQVGLSA-N 1 2 379.810 2.369 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cs1 ZINC000266228627 532710001 /nfs/dbraw/zinc/71/00/01/532710001.db2.gz XWARDXAKGVIDGC-UHFFFAOYSA-N 1 2 397.400 2.114 20 0 GEADLO C[C@H](NC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1cscn1 ZINC000668376098 532711053 /nfs/dbraw/zinc/71/10/53/532711053.db2.gz YGZBNYWZLAWQDD-XHDPSFHLSA-N 1 2 380.901 2.393 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000408256568 532714666 /nfs/dbraw/zinc/71/46/66/532714666.db2.gz WWVBXBZQTPSTPR-UHFFFAOYSA-N 1 2 379.309 2.215 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CSC(C)(C)C)cc2)CC1 ZINC000299445797 532716701 /nfs/dbraw/zinc/71/67/01/532716701.db2.gz KRGNKTPISXMAID-UHFFFAOYSA-N 1 2 385.555 2.093 20 0 GEADLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc(Br)cc2N)C1 ZINC000575300477 532720524 /nfs/dbraw/zinc/72/05/24/532720524.db2.gz UJFCBLYDJISELE-ZDUSSCGKSA-N 1 2 390.285 2.168 20 0 GEADLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc(Br)cc2N)C1 ZINC000575300477 532720527 /nfs/dbraw/zinc/72/05/27/532720527.db2.gz UJFCBLYDJISELE-ZDUSSCGKSA-N 1 2 390.285 2.168 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1Br ZINC000538851759 532721296 /nfs/dbraw/zinc/72/12/96/532721296.db2.gz BIEHDPHMAMPNPK-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1Br ZINC000538851759 532721300 /nfs/dbraw/zinc/72/13/00/532721300.db2.gz BIEHDPHMAMPNPK-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000646111237 532723804 /nfs/dbraw/zinc/72/38/04/532723804.db2.gz ITVPVQCPOAUZKK-AWEZNQCLSA-N 1 2 381.757 2.418 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000646111237 532723811 /nfs/dbraw/zinc/72/38/11/532723811.db2.gz ITVPVQCPOAUZKK-AWEZNQCLSA-N 1 2 381.757 2.418 20 0 GEADLO C[C@H]1Cc2cc(S(=O)(=O)NCc3[nH+]ccn3CC(F)(F)F)ccc2O1 ZINC000539173962 532725698 /nfs/dbraw/zinc/72/56/98/532725698.db2.gz YOZNDFNKEBQPNR-JTQLQIEISA-N 1 2 375.372 2.247 20 0 GEADLO Cc1nsc(N2CC[NH+]([C@H](C)C(=O)N3CCc4sccc4C3)CC2)n1 ZINC000266859494 532728307 /nfs/dbraw/zinc/72/83/07/532728307.db2.gz JCJPOGHOGOUGBT-GFCCVEGCSA-N 1 2 377.539 2.003 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)CC[C@@H]21 ZINC000286104836 532728717 /nfs/dbraw/zinc/72/87/17/532728717.db2.gz VVFIXARFNXJLGO-SNPRPXQTSA-N 1 2 383.279 2.197 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)CC[C@@H]21 ZINC000286104836 532728721 /nfs/dbraw/zinc/72/87/21/532728721.db2.gz VVFIXARFNXJLGO-SNPRPXQTSA-N 1 2 383.279 2.197 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000299620466 532730036 /nfs/dbraw/zinc/73/00/36/532730036.db2.gz JESNDMQXDVMMPY-UHFFFAOYSA-N 1 2 381.479 2.008 20 0 GEADLO C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C[C@@H](C)S1 ZINC000577080539 532731698 /nfs/dbraw/zinc/73/16/98/532731698.db2.gz KVLHOIAQIBJCEG-XJKCOSOUSA-N 1 2 383.945 2.411 20 0 GEADLO C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C[C@H](C)S1 ZINC000577080540 532731909 /nfs/dbraw/zinc/73/19/09/532731909.db2.gz KVLHOIAQIBJCEG-ZENOOKHLSA-N 1 2 383.945 2.411 20 0 GEADLO O=C(c1cnc2ccc(Br)cc2c1O)N1CC[NH+](C2CC2)CC1 ZINC000408437509 532719190 /nfs/dbraw/zinc/71/91/90/532719190.db2.gz WCMKTSLWOSWOEV-UHFFFAOYSA-N 1 2 376.254 2.211 20 0 GEADLO CNC(=O)c1ccc(CNc2[nH+]cnc3c2c(Br)nn3C)cc1 ZINC000301181071 532743343 /nfs/dbraw/zinc/74/33/43/532743343.db2.gz ZHNRXVNEMVLVQQ-UHFFFAOYSA-N 1 2 375.230 2.098 20 0 GEADLO NS(=O)(=O)c1cnc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)s1 ZINC000301241685 532745619 /nfs/dbraw/zinc/74/56/19/532745619.db2.gz JWVKYFJARPTUMJ-JTQLQIEISA-N 1 2 388.465 2.145 20 0 GEADLO NS(=O)(=O)c1cnc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)s1 ZINC000301241685 532745627 /nfs/dbraw/zinc/74/56/27/532745627.db2.gz JWVKYFJARPTUMJ-JTQLQIEISA-N 1 2 388.465 2.145 20 0 GEADLO Cn1ncc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(Br)c1=O ZINC000301238113 532745644 /nfs/dbraw/zinc/74/56/44/532745644.db2.gz MOZAVTDNQOLFJC-UHFFFAOYSA-N 1 2 378.205 2.480 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000503321627 532746482 /nfs/dbraw/zinc/74/64/82/532746482.db2.gz XRQXCBUBCSXXNP-NSHDSACASA-N 1 2 390.272 2.022 20 0 GEADLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000580452608 532746830 /nfs/dbraw/zinc/74/68/30/532746830.db2.gz ACTIEOKONMIBOS-UHFFFAOYSA-N 1 2 387.933 2.212 20 0 GEADLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000580452608 532746836 /nfs/dbraw/zinc/74/68/36/532746836.db2.gz ACTIEOKONMIBOS-UHFFFAOYSA-N 1 2 387.933 2.212 20 0 GEADLO C[C@@H](NC(=O)Cc1c(F)ccc(Br)c1F)[C@H](C)[NH+]1CCOCC1 ZINC000503353743 532747417 /nfs/dbraw/zinc/74/74/17/532747417.db2.gz JOJREYQIOZVZII-MNOVXSKESA-N 1 2 391.256 2.495 20 0 GEADLO Cc1nc(N)c(CNC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)c[nH+]1 ZINC000580450055 532747423 /nfs/dbraw/zinc/74/74/23/532747423.db2.gz HJDWDGPUGRZLMG-JTQLQIEISA-N 1 2 391.269 2.655 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)c1ccsc1 ZINC000674032525 532735337 /nfs/dbraw/zinc/73/53/37/532735337.db2.gz NXRNBLOPTBOQAA-CQSZACIVSA-N 1 2 375.560 2.253 20 0 GEADLO C[C@@H](COCC(F)(F)F)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442974210 532737038 /nfs/dbraw/zinc/73/70/38/532737038.db2.gz BQYMKZOYPUDHAW-LBPRGKRZSA-N 1 2 377.388 2.177 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000540349523 532737905 /nfs/dbraw/zinc/73/79/05/532737905.db2.gz WRESMPYYRXQYKD-MRXNPFEDSA-N 1 2 382.346 2.287 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000501182600 532738249 /nfs/dbraw/zinc/73/82/49/532738249.db2.gz SGUPBHAQXFWQKE-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO COCc1cc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)n2ncnc2n1 ZINC000301064341 532738405 /nfs/dbraw/zinc/73/84/05/532738405.db2.gz NYQUMNVXIABOJB-UHFFFAOYSA-N 1 2 378.889 2.308 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000540423063 532739009 /nfs/dbraw/zinc/73/90/09/532739009.db2.gz IBVBSNRZDKOQRI-UHFFFAOYSA-N 1 2 383.286 2.137 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000540423063 532739013 /nfs/dbraw/zinc/73/90/13/532739013.db2.gz IBVBSNRZDKOQRI-UHFFFAOYSA-N 1 2 383.286 2.137 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)S1 ZINC000301567470 532755166 /nfs/dbraw/zinc/75/51/66/532755166.db2.gz KCSUDJQJFYITKY-NSHDSACASA-N 1 2 375.466 2.296 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)c(F)c1 ZINC000507154983 532756447 /nfs/dbraw/zinc/75/64/47/532756447.db2.gz MJDYWPJVVXUXEO-GFCCVEGCSA-N 1 2 379.295 2.492 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Br)c(F)c1 ZINC000507154983 532756453 /nfs/dbraw/zinc/75/64/53/532756453.db2.gz MJDYWPJVVXUXEO-GFCCVEGCSA-N 1 2 379.295 2.492 20 0 GEADLO Cc1nn(C)cc1S(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000286674454 532761344 /nfs/dbraw/zinc/76/13/44/532761344.db2.gz PRBHUSXGKZQXMY-UHFFFAOYSA-N 1 2 382.917 2.279 20 0 GEADLO Cc1nn(C)cc1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000286674454 532761350 /nfs/dbraw/zinc/76/13/50/532761350.db2.gz PRBHUSXGKZQXMY-UHFFFAOYSA-N 1 2 382.917 2.279 20 0 GEADLO O=S(=O)(NCC[NH+]1CCC1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000443728888 532749490 /nfs/dbraw/zinc/74/94/90/532749490.db2.gz DFDGMKGXTXMBGV-UHFFFAOYSA-N 1 2 387.221 2.452 20 0 GEADLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](O)CCSC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541166435 532749737 /nfs/dbraw/zinc/74/97/37/532749737.db2.gz LXLIXGLFOKZUCL-LZWOXQAQSA-N 1 2 376.444 2.469 20 0 GEADLO CC[N@H+]1CC[C@H](NC(=O)[C@H](O)CCSC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541166435 532749740 /nfs/dbraw/zinc/74/97/40/532749740.db2.gz LXLIXGLFOKZUCL-LZWOXQAQSA-N 1 2 376.444 2.469 20 0 GEADLO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2n[nH]cc2Br)c1 ZINC000541208053 532750249 /nfs/dbraw/zinc/75/02/49/532750249.db2.gz CYRKHMAPISNERL-SNVBAGLBSA-N 1 2 395.257 2.466 20 0 GEADLO CSc1cc(NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)ccc1Cl ZINC000411211770 532750256 /nfs/dbraw/zinc/75/02/56/532750256.db2.gz OVKYNEFZWDSHKU-UHFFFAOYSA-N 1 2 385.917 2.227 20 0 GEADLO CSc1cc(NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)ccc1Cl ZINC000411211770 532750258 /nfs/dbraw/zinc/75/02/58/532750258.db2.gz OVKYNEFZWDSHKU-UHFFFAOYSA-N 1 2 385.917 2.227 20 0 GEADLO CC(C)N1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CC1=O ZINC000505883906 532751169 /nfs/dbraw/zinc/75/11/69/532751169.db2.gz DNLDNLVMKKBUFP-UHFFFAOYSA-N 1 2 386.265 2.469 20 0 GEADLO CC(C)N1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)CC1=O ZINC000505883906 532751176 /nfs/dbraw/zinc/75/11/76/532751176.db2.gz DNLDNLVMKKBUFP-UHFFFAOYSA-N 1 2 386.265 2.469 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000411257149 532751611 /nfs/dbraw/zinc/75/16/11/532751611.db2.gz JWXDSNPHJQFYKN-RISCZKNCSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411257149 532751614 /nfs/dbraw/zinc/75/16/14/532751614.db2.gz JWXDSNPHJQFYKN-RISCZKNCSA-N 1 2 385.258 2.040 20 0 GEADLO C[C@@H]([NH2+]Cc1ncccc1F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000580988744 532752358 /nfs/dbraw/zinc/75/23/58/532752358.db2.gz OOOSTXZLNZHKQB-SECBINFHSA-N 1 2 388.262 2.481 20 0 GEADLO O=S(=O)(NCC[NH+]1CCSCC1)c1ccc(Cl)cc1Br ZINC000541388570 532752922 /nfs/dbraw/zinc/75/29/22/532752922.db2.gz AXXYDFNNZZMVRN-UHFFFAOYSA-N 1 2 399.763 2.430 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc2cc(Br)c(F)cc2n1 ZINC000301549376 532753772 /nfs/dbraw/zinc/75/37/72/532753772.db2.gz FNNMTYFGTPTXBV-CYBMUJFWSA-N 1 2 398.276 2.266 20 0 GEADLO Nc1[nH+]cnc(NCc2cccc(S(=O)(=O)N3CCCCC3)c2)c1Cl ZINC000302906001 532775547 /nfs/dbraw/zinc/77/55/47/532775547.db2.gz TTXKMFPNIDELKU-UHFFFAOYSA-N 1 2 381.889 2.499 20 0 GEADLO Nc1nc[nH+]c(NCc2cccc(S(=O)(=O)N3CCCCC3)c2)c1Cl ZINC000302906001 532775549 /nfs/dbraw/zinc/77/55/49/532775549.db2.gz TTXKMFPNIDELKU-UHFFFAOYSA-N 1 2 381.889 2.499 20 0 GEADLO COc1ccc(C[N@H+](CCOCC(F)(F)F)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000511835161 532775762 /nfs/dbraw/zinc/77/57/62/532775762.db2.gz ORBMIYQPHXWKAY-CQSZACIVSA-N 1 2 381.416 2.263 20 0 GEADLO COc1ccc(C[N@@H+](CCOCC(F)(F)F)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000511835161 532775764 /nfs/dbraw/zinc/77/57/64/532775764.db2.gz ORBMIYQPHXWKAY-CQSZACIVSA-N 1 2 381.416 2.263 20 0 GEADLO COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000411908611 532779930 /nfs/dbraw/zinc/77/99/30/532779930.db2.gz HXNVWFUJLLOXBK-QWRGUYRKSA-N 1 2 377.666 2.123 20 0 GEADLO COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000411908611 532779934 /nfs/dbraw/zinc/77/99/34/532779934.db2.gz HXNVWFUJLLOXBK-QWRGUYRKSA-N 1 2 377.666 2.123 20 0 GEADLO Cc1c(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cnn1-c1ccc(Cl)cc1 ZINC000542054030 532763857 /nfs/dbraw/zinc/76/38/57/532763857.db2.gz FDCWRVFLEDTSTO-UHFFFAOYSA-N 1 2 377.857 2.276 20 0 GEADLO Cc1nc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)ccc1Br ZINC000302085464 532765927 /nfs/dbraw/zinc/76/59/27/532765927.db2.gz NFVPTTPCBOLAGR-AWEZNQCLSA-N 1 2 381.318 2.285 20 0 GEADLO Cn1cc[nH+]c1CN1CCN(c2ccnc3cc(Br)cnc32)CC1 ZINC000302102555 532766046 /nfs/dbraw/zinc/76/60/46/532766046.db2.gz LXDKDLUEBHIFSX-UHFFFAOYSA-N 1 2 387.285 2.448 20 0 GEADLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCCn1cc(Br)cn1 ZINC000286801192 532769916 /nfs/dbraw/zinc/76/99/16/532769916.db2.gz UXDWQGGSICLPCY-UHFFFAOYSA-N 1 2 391.273 2.303 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000313499260 532780008 /nfs/dbraw/zinc/78/00/08/532780008.db2.gz UMSWSBMBDOYIRN-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO CC[C@H](NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(Cl)s1 ZINC000286860953 532773011 /nfs/dbraw/zinc/77/30/11/532773011.db2.gz BJBJIJNZVYPGOQ-LBPRGKRZSA-N 1 2 387.933 2.196 20 0 GEADLO CC[C@H](NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(Cl)s1 ZINC000286860953 532773015 /nfs/dbraw/zinc/77/30/15/532773015.db2.gz BJBJIJNZVYPGOQ-LBPRGKRZSA-N 1 2 387.933 2.196 20 0 GEADLO Nc1[nH+]cnc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1Cl ZINC000302882166 532774651 /nfs/dbraw/zinc/77/46/51/532774651.db2.gz IOUCTFAVGHEMKM-UHFFFAOYSA-N 1 2 382.251 2.093 20 0 GEADLO Nc1nc[nH+]c(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1Cl ZINC000302882166 532774656 /nfs/dbraw/zinc/77/46/56/532774656.db2.gz IOUCTFAVGHEMKM-UHFFFAOYSA-N 1 2 382.251 2.093 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000456490977 532782505 /nfs/dbraw/zinc/78/25/05/532782505.db2.gz QNGGWMMGVSJYJD-NSHDSACASA-N 1 2 384.249 2.211 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000456490977 532782507 /nfs/dbraw/zinc/78/25/07/532782507.db2.gz QNGGWMMGVSJYJD-NSHDSACASA-N 1 2 384.249 2.211 20 0 GEADLO O=C(C[NH+]1CCC(OCCO)CC1)Nc1ccc(Br)cc1F ZINC000317144959 532783561 /nfs/dbraw/zinc/78/35/61/532783561.db2.gz WBNLHNDIBSUXLW-UHFFFAOYSA-N 1 2 375.238 2.000 20 0 GEADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CSCc1ccc(Br)cc1 ZINC000457096225 532785047 /nfs/dbraw/zinc/78/50/47/532785047.db2.gz QUJHWTRSQJADQN-CYBMUJFWSA-N 1 2 387.343 2.207 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CSCc1ccc(Br)cc1 ZINC000457096225 532785052 /nfs/dbraw/zinc/78/50/52/532785052.db2.gz QUJHWTRSQJADQN-CYBMUJFWSA-N 1 2 387.343 2.207 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000412090954 532785499 /nfs/dbraw/zinc/78/54/99/532785499.db2.gz YLLDGDKURBBUIO-LLVKDONJSA-N 1 2 387.299 2.226 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000412090954 532785501 /nfs/dbraw/zinc/78/55/01/532785501.db2.gz YLLDGDKURBBUIO-LLVKDONJSA-N 1 2 387.299 2.226 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)cc1Cl ZINC000269673868 532786092 /nfs/dbraw/zinc/78/60/92/532786092.db2.gz OWOYZWKIPWUDIA-UHFFFAOYSA-N 1 2 381.841 2.167 20 0 GEADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)CSCc1cc(-c2cccs2)on1 ZINC000457105239 532786602 /nfs/dbraw/zinc/78/66/02/532786602.db2.gz DJUCBPKUFGCPOL-ZDUSSCGKSA-N 1 2 381.523 2.161 20 0 GEADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CSCc1cc(-c2cccs2)on1 ZINC000457105239 532786608 /nfs/dbraw/zinc/78/66/08/532786608.db2.gz DJUCBPKUFGCPOL-ZDUSSCGKSA-N 1 2 381.523 2.161 20 0 GEADLO CNc1cc(I)ccc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000412199187 532786727 /nfs/dbraw/zinc/78/67/27/532786727.db2.gz OBDPXKXHLWKEFI-SNVBAGLBSA-N 1 2 396.232 2.343 20 0 GEADLO CNc1cc(I)ccc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000412199187 532786731 /nfs/dbraw/zinc/78/67/31/532786731.db2.gz OBDPXKXHLWKEFI-SNVBAGLBSA-N 1 2 396.232 2.343 20 0 GEADLO O=S(=O)(NC1CCN(c2cccc[nH+]2)CC1)c1cncc(Br)c1 ZINC000321086338 532787329 /nfs/dbraw/zinc/78/73/29/532787329.db2.gz FLZQJPKHPFUIFS-UHFFFAOYSA-N 1 2 397.298 2.186 20 0 GEADLO CNc1cc(I)ccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000412278428 532787461 /nfs/dbraw/zinc/78/74/61/532787461.db2.gz XDUWPLRPOHJUED-LLVKDONJSA-N 1 2 396.232 2.274 20 0 GEADLO Cn1ccnc1Sc1ncc(C(=O)NCCc2c[nH+]cn2C)cc1Cl ZINC000548460341 532791336 /nfs/dbraw/zinc/79/13/36/532791336.db2.gz OWESZFQIBICUAX-UHFFFAOYSA-N 1 2 376.873 2.326 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000287417461 532794520 /nfs/dbraw/zinc/79/45/20/532794520.db2.gz QCQHKACMUOZRHF-RYUDHWBXSA-N 1 2 380.539 2.359 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](Cc3nc(-c4cccc(Br)c4)c[nH]3)C[C@@H]12 ZINC000329289219 532805298 /nfs/dbraw/zinc/80/52/98/532805298.db2.gz QBWKOQYODDINHG-ZDUSSCGKSA-N 1 2 390.241 2.416 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](Cc3nc(-c4cccc(Br)c4)c[nH]3)C[C@@H]12 ZINC000329289219 532805300 /nfs/dbraw/zinc/80/53/00/532805300.db2.gz QBWKOQYODDINHG-ZDUSSCGKSA-N 1 2 390.241 2.416 20 0 GEADLO CSc1ccc(-c2nsc(NC(=O)NCC[NH+]3CCOCC3)n2)cc1 ZINC000554926205 532806518 /nfs/dbraw/zinc/80/65/18/532806518.db2.gz JHLDZZKYOJTVAZ-UHFFFAOYSA-N 1 2 379.511 2.381 20 0 GEADLO Cc1nc(S(=O)(=O)NCCCn2cc[nH+]c2C)sc1Br ZINC000271506302 532807890 /nfs/dbraw/zinc/80/78/90/532807890.db2.gz YCAXRMIXLHPIAJ-UHFFFAOYSA-N 1 2 379.305 2.088 20 0 GEADLO O=S(=O)(c1ccc2c(c1)OCO2)N1CC[NH+](CCc2cccs2)CC1 ZINC000329499569 532807905 /nfs/dbraw/zinc/80/79/05/532807905.db2.gz YCNPZRBLPZOJEF-UHFFFAOYSA-N 1 2 380.491 2.026 20 0 GEADLO Cc1cc(N2CC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)C2=O)ccc1Br ZINC000287727961 532807953 /nfs/dbraw/zinc/80/79/53/532807953.db2.gz HGAYOUMRWZOJHU-CQSZACIVSA-N 1 2 391.269 2.335 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1sccc1Br ZINC000413206626 532808089 /nfs/dbraw/zinc/80/80/89/532808089.db2.gz YRLOCBJSLPYPHG-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO COC(=O)C1(O)CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000271529344 532808205 /nfs/dbraw/zinc/80/82/05/532808205.db2.gz XPLDCQJAOHGHII-LLVKDONJSA-N 1 2 389.279 2.171 20 0 GEADLO COC(=O)C1(O)CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000271529354 532808301 /nfs/dbraw/zinc/80/83/01/532808301.db2.gz XPLDCQJAOHGHII-NSHDSACASA-N 1 2 389.279 2.171 20 0 GEADLO OCCOC1(CNc2[nH+]ccc3cc(Br)ccc32)CCOCC1 ZINC000413282965 532809515 /nfs/dbraw/zinc/80/95/15/532809515.db2.gz MTIIBCOSJINDHI-UHFFFAOYSA-N 1 2 381.270 2.967 20 0 GEADLO C[C@H](O)CNc1cc(NCCC(=O)Nc2cc(Cl)cc(Cl)c2)[nH+]cn1 ZINC000413298859 532809566 /nfs/dbraw/zinc/80/95/66/532809566.db2.gz NHSYEMAWNHPOTF-JTQLQIEISA-N 1 2 384.267 3.017 20 0 GEADLO C[C@H](O)CNc1cc(NCCC(=O)Nc2cc(Cl)cc(Cl)c2)nc[nH+]1 ZINC000413298859 532809569 /nfs/dbraw/zinc/80/95/69/532809569.db2.gz NHSYEMAWNHPOTF-JTQLQIEISA-N 1 2 384.267 3.017 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NCc1ccccc1Br ZINC000550791798 532798383 /nfs/dbraw/zinc/79/83/83/532798383.db2.gz BQYDTAKEMDGDLO-UHFFFAOYSA-N 1 2 393.285 2.234 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@@H+](CC[S@](=O)c3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000328959652 532801293 /nfs/dbraw/zinc/80/12/93/532801293.db2.gz KCBRKXGOHKZPGS-PSVOKBTDSA-N 1 2 376.309 2.403 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@H+](CC[S@](=O)c3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000328959652 532801295 /nfs/dbraw/zinc/80/12/95/532801295.db2.gz KCBRKXGOHKZPGS-PSVOKBTDSA-N 1 2 376.309 2.403 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)c1ccc2c(c1)CCCO2 ZINC000329150348 532802796 /nfs/dbraw/zinc/80/27/96/532802796.db2.gz RLRTZPVMELXVCY-UHFFFAOYSA-N 1 2 378.519 2.410 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2sccc2C1)c1ccc2c(c1)CCCO2 ZINC000329150348 532802798 /nfs/dbraw/zinc/80/27/98/532802798.db2.gz RLRTZPVMELXVCY-UHFFFAOYSA-N 1 2 378.519 2.410 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)C[C@@H]21 ZINC000329153756 532802985 /nfs/dbraw/zinc/80/29/85/532802985.db2.gz UJQGALHAEDFQBY-HOTGVXAUSA-N 1 2 381.263 2.334 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)C[C@@H]21 ZINC000329153756 532802988 /nfs/dbraw/zinc/80/29/88/532802988.db2.gz UJQGALHAEDFQBY-HOTGVXAUSA-N 1 2 381.263 2.334 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)C(=O)Nc1ccsc1Cl)C1CCOCC1 ZINC000287639245 532804106 /nfs/dbraw/zinc/80/41/06/532804106.db2.gz CETNSVJPSMKJDL-GFCCVEGCSA-N 1 2 382.873 2.358 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)sc1C ZINC000329822671 532812195 /nfs/dbraw/zinc/81/21/95/532812195.db2.gz HLEMAXOHWGNWRP-CYBMUJFWSA-N 1 2 382.511 2.063 20 0 GEADLO CC[C@H](C(=O)OC)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000413812177 532815422 /nfs/dbraw/zinc/81/54/22/532815422.db2.gz YICBKLNYEABELF-ZDUSSCGKSA-N 1 2 398.257 2.467 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000330422654 532817950 /nfs/dbraw/zinc/81/79/50/532817950.db2.gz QRLWUNGYUZGKGT-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000330422654 532817952 /nfs/dbraw/zinc/81/79/52/532817952.db2.gz QRLWUNGYUZGKGT-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)C[C@H]21 ZINC000330266633 532816185 /nfs/dbraw/zinc/81/61/85/532816185.db2.gz HSASOZPDMCXFFL-CVEARBPZSA-N 1 2 381.263 2.334 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)C[C@H]21 ZINC000330266633 532816187 /nfs/dbraw/zinc/81/61/87/532816187.db2.gz HSASOZPDMCXFFL-CVEARBPZSA-N 1 2 381.263 2.334 20 0 GEADLO CN(C)C(=O)Cc1nc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cs1 ZINC000273158332 532820172 /nfs/dbraw/zinc/82/01/72/532820172.db2.gz YPXJCGJLUQTGJI-CQSZACIVSA-N 1 2 398.326 2.360 20 0 GEADLO C[C@H](CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)Oc1cccc(Br)c1 ZINC000288300994 532823736 /nfs/dbraw/zinc/82/37/36/532823736.db2.gz LNWGAXLNDGHFGU-YGRLFVJLSA-N 1 2 393.241 2.103 20 0 GEADLO C[C@H](CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)Oc1cccc(Br)c1 ZINC000288300994 532823737 /nfs/dbraw/zinc/82/37/37/532823737.db2.gz LNWGAXLNDGHFGU-YGRLFVJLSA-N 1 2 393.241 2.103 20 0 GEADLO Cc1nc(CC[NH2+]Cc2ncc(Br)cc2Br)n[nH]1 ZINC000273245949 532821171 /nfs/dbraw/zinc/82/11/71/532821171.db2.gz VCSYAVRPRZSBJF-UHFFFAOYSA-N 1 2 375.068 2.365 20 0 GEADLO Cc1nnc(CC[NH2+]Cc2ncc(Br)cc2Br)[nH]1 ZINC000273245949 532821174 /nfs/dbraw/zinc/82/11/74/532821174.db2.gz VCSYAVRPRZSBJF-UHFFFAOYSA-N 1 2 375.068 2.365 20 0 GEADLO CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330662171 532824273 /nfs/dbraw/zinc/82/42/73/532824273.db2.gz UFASIVVHSXFRAH-JTQLQIEISA-N 1 2 378.420 2.009 20 0 GEADLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330662172 532824597 /nfs/dbraw/zinc/82/45/97/532824597.db2.gz UFASIVVHSXFRAH-SNVBAGLBSA-N 1 2 378.420 2.009 20 0 GEADLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000414405023 532824850 /nfs/dbraw/zinc/82/48/50/532824850.db2.gz CIAQXQCZHVCXRU-SNVBAGLBSA-N 1 2 375.372 2.381 20 0 GEADLO CC(C)(CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)S(C)(=O)=O ZINC000414399773 532824892 /nfs/dbraw/zinc/82/48/92/532824892.db2.gz CJFIURHUHIWMRL-UHFFFAOYSA-N 1 2 388.559 2.464 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H]([C@@H](C)O)C3)[nH+]c12 ZINC000273582373 532827189 /nfs/dbraw/zinc/82/71/89/532827189.db2.gz PJAZZJGVYJFRKK-CHWSQXEVSA-N 1 2 395.301 2.360 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CCC[C@@H]3O)[nH+]c12 ZINC000273599468 532827696 /nfs/dbraw/zinc/82/76/96/532827696.db2.gz XSBSUUMCIVLEKK-KBPBESRZSA-N 1 2 381.274 2.160 20 0 GEADLO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414456883 532828241 /nfs/dbraw/zinc/82/82/41/532828241.db2.gz VALGDGNGJFFFDH-GOSISDBHSA-N 1 2 379.503 2.468 20 0 GEADLO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414456883 532828244 /nfs/dbraw/zinc/82/82/44/532828244.db2.gz VALGDGNGJFFFDH-GOSISDBHSA-N 1 2 379.503 2.468 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000330907321 532830003 /nfs/dbraw/zinc/83/00/03/532830003.db2.gz SRAOFUSOJHKMEQ-VXGBXAGGSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000330907321 532830004 /nfs/dbraw/zinc/83/00/04/532830004.db2.gz SRAOFUSOJHKMEQ-VXGBXAGGSA-N 1 2 382.309 2.242 20 0 GEADLO C[C@@H](CNS(=O)(=O)CCc1ccccc1Br)Cn1cc[nH+]c1 ZINC000414459765 532828781 /nfs/dbraw/zinc/82/87/81/532828781.db2.gz OVSHUGAFTOMPEO-ZDUSSCGKSA-N 1 2 386.315 2.444 20 0 GEADLO COC(C[N@H+](CCCO)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)OC ZINC000273637803 532829396 /nfs/dbraw/zinc/82/93/96/532829396.db2.gz UCKOPFHYIWFGOU-GFCCVEGCSA-N 1 2 393.311 2.474 20 0 GEADLO COC(C[N@@H+](CCCO)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)OC ZINC000273637803 532829398 /nfs/dbraw/zinc/82/93/98/532829398.db2.gz UCKOPFHYIWFGOU-GFCCVEGCSA-N 1 2 393.311 2.474 20 0 GEADLO O=C(NC1CC1)N[C@H]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000273771656 532834217 /nfs/dbraw/zinc/83/42/17/532834217.db2.gz RAIBCQVXTUJMRX-ZDUSSCGKSA-N 1 2 378.274 2.133 20 0 GEADLO CN(CCn1cc(Br)cn1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000288677763 532834626 /nfs/dbraw/zinc/83/46/26/532834626.db2.gz SMCWHBOWDCKNKZ-UHFFFAOYSA-N 1 2 391.273 2.177 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000331193602 532835910 /nfs/dbraw/zinc/83/59/10/532835910.db2.gz RAPRIQZNNONFCJ-WCQYABFASA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[N@H+]1C[C@H](C)O ZINC000331193602 532835911 /nfs/dbraw/zinc/83/59/11/532835911.db2.gz RAPRIQZNNONFCJ-WCQYABFASA-N 1 2 381.325 2.459 20 0 GEADLO COCCOc1c(Cl)cc(S(=O)(=O)NCCn2cc[nH+]c2)cc1Cl ZINC000288790817 532838275 /nfs/dbraw/zinc/83/82/75/532838275.db2.gz HTHANGVJEGHBIK-UHFFFAOYSA-N 1 2 394.280 2.194 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]21 ZINC000359999550 209212757 /nfs/dbraw/zinc/21/27/57/209212757.db2.gz ZTCCJOJUKZUGCF-NUEKZKHPSA-N 1 2 387.484 2.148 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]21 ZINC000359999550 209212760 /nfs/dbraw/zinc/21/27/60/209212760.db2.gz ZTCCJOJUKZUGCF-NUEKZKHPSA-N 1 2 387.484 2.148 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(F)cc(Br)c3)C2)nn1 ZINC000359974852 209208692 /nfs/dbraw/zinc/20/86/92/209208692.db2.gz PLKLDUGMAQADIX-ZDUSSCGKSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(F)cc(Br)c3)C2)nn1 ZINC000359974852 209208695 /nfs/dbraw/zinc/20/86/95/209208695.db2.gz PLKLDUGMAQADIX-ZDUSSCGKSA-N 1 2 383.221 2.413 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)c(F)c1 ZINC000359925896 209203267 /nfs/dbraw/zinc/20/32/67/209203267.db2.gz DLRHPXMAUPQVGO-UHFFFAOYSA-N 1 2 395.500 2.037 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1OC(F)F ZINC000359896863 209199265 /nfs/dbraw/zinc/19/92/65/209199265.db2.gz JWUOMISTDUTAON-ZDUSSCGKSA-N 1 2 378.379 2.115 20 0 GEADLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)c1 ZINC000359939769 209205431 /nfs/dbraw/zinc/20/54/31/209205431.db2.gz BDQSQGHAQBZXNC-OAHLLOKOSA-N 1 2 397.479 2.148 20 0 GEADLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)c1 ZINC000359939769 209205433 /nfs/dbraw/zinc/20/54/33/209205433.db2.gz BDQSQGHAQBZXNC-OAHLLOKOSA-N 1 2 397.479 2.148 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)CCc3cnn(C)c3)[nH+]c12 ZINC000274069736 532840759 /nfs/dbraw/zinc/84/07/59/532840759.db2.gz WAASFEVHFXKSMF-UHFFFAOYSA-N 1 2 376.258 2.388 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)C(=O)OC(C)(C)C)[nH+]c12 ZINC000274118253 532841329 /nfs/dbraw/zinc/84/13/29/532841329.db2.gz XZDWUXBORKMJIL-UHFFFAOYSA-N 1 2 382.258 2.406 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(Cc2nnnn2-c2ccccc2Br)C[C@@H]1C ZINC000332023705 532848056 /nfs/dbraw/zinc/84/80/56/532848056.db2.gz YJRWDMSMQFKISP-QWHCGFSZSA-N 1 2 379.306 2.339 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(Cc2nnnn2-c2ccccc2Br)C[C@@H]1C ZINC000332023705 532848059 /nfs/dbraw/zinc/84/80/59/532848059.db2.gz YJRWDMSMQFKISP-QWHCGFSZSA-N 1 2 379.306 2.339 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000289126268 532847788 /nfs/dbraw/zinc/84/77/88/532847788.db2.gz IZRQWQLEBUURQV-OAHLLOKOSA-N 1 2 388.555 2.021 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000289126268 532847793 /nfs/dbraw/zinc/84/77/93/532847793.db2.gz IZRQWQLEBUURQV-OAHLLOKOSA-N 1 2 388.555 2.021 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C1 ZINC000332082693 532848557 /nfs/dbraw/zinc/84/85/57/532848557.db2.gz OHKTUIJMTXUAAN-JTQLQIEISA-N 1 2 375.372 2.323 20 0 GEADLO C[N@@H+](Cc1cc2c(cc1Br)OCCO2)C[C@H]1CCS(=O)(=O)C1 ZINC000332092860 532848877 /nfs/dbraw/zinc/84/88/77/532848877.db2.gz CODKSMIMFCNHBD-LLVKDONJSA-N 1 2 390.299 2.087 20 0 GEADLO C[N@H+](Cc1cc2c(cc1Br)OCCO2)C[C@H]1CCS(=O)(=O)C1 ZINC000332092860 532848880 /nfs/dbraw/zinc/84/88/80/532848880.db2.gz CODKSMIMFCNHBD-LLVKDONJSA-N 1 2 390.299 2.087 20 0 GEADLO Cc1nc(CN2CCN(C)C3(CC[NH+](Cc4nccs4)CC3)C2=O)cs1 ZINC000096077176 211299400 /nfs/dbraw/zinc/29/94/00/211299400.db2.gz JEMJJOKLRFPGFS-UHFFFAOYSA-N 1 2 391.566 2.217 20 0 GEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(Cc4nccs4)CC3)C2=O)cs1 ZINC000096077176 211299403 /nfs/dbraw/zinc/29/94/03/211299403.db2.gz JEMJJOKLRFPGFS-UHFFFAOYSA-N 1 2 391.566 2.217 20 0 GEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(Cc4nccs4)CC3)C2=O)cs1 ZINC000096077176 211299405 /nfs/dbraw/zinc/29/94/05/211299405.db2.gz JEMJJOKLRFPGFS-UHFFFAOYSA-N 1 2 391.566 2.217 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1ccc(OC)c(Cl)c1 ZINC000274461653 532850600 /nfs/dbraw/zinc/85/06/00/532850600.db2.gz KLRHZPFLIAMHIT-XHDPSFHLSA-N 1 2 386.901 2.116 20 0 GEADLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000332377355 532853630 /nfs/dbraw/zinc/85/36/30/532853630.db2.gz FEZPBHXUYJQNAP-UHFFFAOYSA-N 1 2 397.298 2.058 20 0 GEADLO Cc1c(Br)cccc1CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000332510533 532856692 /nfs/dbraw/zinc/85/66/92/532856692.db2.gz MBVPTYCTNUAVPF-UHFFFAOYSA-N 1 2 377.286 2.368 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(Br)ccc2OC)CC1 ZINC000289525726 532857610 /nfs/dbraw/zinc/85/76/10/532857610.db2.gz VSSIPGPOEUUPRY-UHFFFAOYSA-N 1 2 391.331 2.361 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289552481 532858314 /nfs/dbraw/zinc/85/83/14/532858314.db2.gz XGQWGTNVMDAQEU-GHMZBOCLSA-N 1 2 394.273 2.067 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289552481 532858318 /nfs/dbraw/zinc/85/83/18/532858318.db2.gz XGQWGTNVMDAQEU-GHMZBOCLSA-N 1 2 394.273 2.067 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289586033 532859959 /nfs/dbraw/zinc/85/99/59/532859959.db2.gz PJRHQUQPYARFMP-UHFFFAOYSA-N 1 2 385.873 2.156 20 0 GEADLO O=C(N[C@@H]1CC[S@@](=O)C1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000332943478 532862483 /nfs/dbraw/zinc/86/24/83/532862483.db2.gz NGTWANZXXFMTRN-KDCSIKNMSA-N 1 2 387.908 2.264 20 0 GEADLO O=C(N[C@@H]1CC[S@@](=O)C1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000332943478 532862485 /nfs/dbraw/zinc/86/24/85/532862485.db2.gz NGTWANZXXFMTRN-KDCSIKNMSA-N 1 2 387.908 2.264 20 0 GEADLO CNC(=O)C[NH+]1CCC(Nc2nnc(Cc3ccc(Cl)cc3)s2)CC1 ZINC000275079561 532863663 /nfs/dbraw/zinc/86/36/63/532863663.db2.gz XOFDUMCIDCJYKY-UHFFFAOYSA-N 1 2 379.917 2.405 20 0 GEADLO CCOc1ccc(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1Br ZINC000275124314 532865180 /nfs/dbraw/zinc/86/51/80/532865180.db2.gz JOBLSTKIAQJURO-NSHDSACASA-N 1 2 395.257 2.188 20 0 GEADLO CO[C@@H]1CCCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333191513 532865931 /nfs/dbraw/zinc/86/59/31/532865931.db2.gz OJTIQXHYFVQAIC-GFCCVEGCSA-N 1 2 399.289 2.323 20 0 GEADLO CN1C(=O)N[C@@]2(CCN(c3cc[nH+]c4cc(F)c(Br)cc43)C2)C1=O ZINC000333526446 532870631 /nfs/dbraw/zinc/87/06/31/532870631.db2.gz ICEHMMPVKSTJMJ-MRXNPFEDSA-N 1 2 393.216 2.267 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3noc4ccc(Br)cc43)C[C@H]21 ZINC000333571659 532871181 /nfs/dbraw/zinc/87/11/81/532871181.db2.gz MNJUYLTZORPDTJ-ZBFHGGJFSA-N 1 2 394.269 2.064 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3noc4ccc(Br)cc43)C[C@H]21 ZINC000333571659 532871184 /nfs/dbraw/zinc/87/11/84/532871184.db2.gz MNJUYLTZORPDTJ-ZBFHGGJFSA-N 1 2 394.269 2.064 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000333642973 532871454 /nfs/dbraw/zinc/87/14/54/532871454.db2.gz JEFYARJRIVIAQA-SMDDNHRTSA-N 1 2 383.290 2.479 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1SCCc2sccc21 ZINC000333774878 532873348 /nfs/dbraw/zinc/87/33/48/532873348.db2.gz STCVVNRHQXMCSR-INIZCTEOSA-N 1 2 382.551 2.076 20 0 GEADLO CC(C)c1nc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cn1C ZINC000416377194 532873669 /nfs/dbraw/zinc/87/36/69/532873669.db2.gz WZPWYDYNXFTZLN-ZDUSSCGKSA-N 1 2 382.555 2.330 20 0 GEADLO CC(C)c1nc(S(=O)(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cn1C ZINC000416377194 532873672 /nfs/dbraw/zinc/87/36/72/532873672.db2.gz WZPWYDYNXFTZLN-ZDUSSCGKSA-N 1 2 382.555 2.330 20 0 GEADLO CC[N@H+](CCCNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)c1ccccc1 ZINC000416378941 532873582 /nfs/dbraw/zinc/87/35/82/532873582.db2.gz UDNAXFBVFMWVGL-UHFFFAOYSA-N 1 2 390.571 2.036 20 0 GEADLO CC[N@@H+](CCCNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)c1ccccc1 ZINC000416378941 532873586 /nfs/dbraw/zinc/87/35/86/532873586.db2.gz UDNAXFBVFMWVGL-UHFFFAOYSA-N 1 2 390.571 2.036 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CCC2(CCC2)S(=O)(=O)CC1)c1ccsc1 ZINC000334020526 532877583 /nfs/dbraw/zinc/87/75/83/532877583.db2.gz CSPCLZRUPXRVFG-OAHLLOKOSA-N 1 2 385.555 2.104 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1CSc2ccc(Br)cc21 ZINC000348446718 532879067 /nfs/dbraw/zinc/87/90/67/532879067.db2.gz CZGMWOCYQQASBF-NWDGAFQWSA-N 1 2 393.266 2.482 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1CSc2ccc(Br)cc21 ZINC000348446718 532879069 /nfs/dbraw/zinc/87/90/69/532879069.db2.gz CZGMWOCYQQASBF-NWDGAFQWSA-N 1 2 393.266 2.482 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@H]1CSc2ccc(Br)cc21 ZINC000348446723 532879257 /nfs/dbraw/zinc/87/92/57/532879257.db2.gz CZGMWOCYQQASBF-RYUDHWBXSA-N 1 2 393.266 2.482 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@H]1CSc2ccc(Br)cc21 ZINC000348446723 532879259 /nfs/dbraw/zinc/87/92/59/532879259.db2.gz CZGMWOCYQQASBF-RYUDHWBXSA-N 1 2 393.266 2.482 20 0 GEADLO Cc1c(Br)ccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)c1F ZINC000290300469 532877267 /nfs/dbraw/zinc/87/72/67/532877267.db2.gz ILXKMNJMLNMZCQ-UHFFFAOYSA-N 1 2 381.205 2.074 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[NH2+]Cc3ccc(F)cc32)s1 ZINC000420452186 532883784 /nfs/dbraw/zinc/88/37/84/532883784.db2.gz AFBKMPYTPUHYBL-JTQLQIEISA-N 1 2 384.454 2.361 20 0 GEADLO COCC[N@H+](Cc1cc(OC)c(OC)cc1SC)[C@@H]1CCS(=O)(=O)C1 ZINC000290416148 532880059 /nfs/dbraw/zinc/88/00/59/532880059.db2.gz KIOHDCDHZDRABY-CQSZACIVSA-N 1 2 389.539 2.061 20 0 GEADLO COCC[N@@H+](Cc1cc(OC)c(OC)cc1SC)[C@@H]1CCS(=O)(=O)C1 ZINC000290416148 532880061 /nfs/dbraw/zinc/88/00/61/532880061.db2.gz KIOHDCDHZDRABY-CQSZACIVSA-N 1 2 389.539 2.061 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000420951370 532887355 /nfs/dbraw/zinc/88/73/55/532887355.db2.gz QSCTVAAYMVQMEF-MJBXVCDLSA-N 1 2 384.464 2.075 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000420951370 532887358 /nfs/dbraw/zinc/88/73/58/532887358.db2.gz QSCTVAAYMVQMEF-MJBXVCDLSA-N 1 2 384.464 2.075 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Cl)ncc1Br ZINC000290809733 532890015 /nfs/dbraw/zinc/89/00/15/532890015.db2.gz GBTPISNBPRRLIQ-JTQLQIEISA-N 1 2 376.682 2.290 20 0 GEADLO COc1cc(Br)c(CNC(=O)NCc2c[nH+]cn2C)cc1OC ZINC000290856156 532891099 /nfs/dbraw/zinc/89/10/99/532891099.db2.gz QGDFAHNKCMRCQL-UHFFFAOYSA-N 1 2 383.246 2.199 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cnc(Cl)c(Cl)c1 ZINC000360955124 532891911 /nfs/dbraw/zinc/89/19/11/532891911.db2.gz AAODRPHPSRNBPU-RISCZKNCSA-N 1 2 394.324 2.168 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000291336851 532900067 /nfs/dbraw/zinc/90/00/67/532900067.db2.gz WEWTXHUFSPJQSA-OAHLLOKOSA-N 1 2 391.269 2.104 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cccc(Br)c1C)CC2 ZINC000363677872 532900091 /nfs/dbraw/zinc/90/00/91/532900091.db2.gz ZEZCTJDVWPUGMV-UHFFFAOYSA-N 1 2 377.242 2.243 20 0 GEADLO C[C@H]1C[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c2ccsc2S1(=O)=O ZINC000291209557 532898429 /nfs/dbraw/zinc/89/84/29/532898429.db2.gz KQYKTOKVLCSOKB-YDHLFZDLSA-N 1 2 383.539 2.235 20 0 GEADLO C[C@H]1C[C@H](NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c2ccsc2S1(=O)=O ZINC000291209557 532898432 /nfs/dbraw/zinc/89/84/32/532898432.db2.gz KQYKTOKVLCSOKB-YDHLFZDLSA-N 1 2 383.539 2.235 20 0 GEADLO COC(=O)CCN(Cc1cccc(Br)c1)C(=O)Cn1cc[nH+]c1 ZINC000276644236 532899121 /nfs/dbraw/zinc/89/91/21/532899121.db2.gz DAHPKQSHFGFSMZ-UHFFFAOYSA-N 1 2 380.242 2.238 20 0 GEADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000363770827 532901021 /nfs/dbraw/zinc/90/10/21/532901021.db2.gz UWZWJRQOAOZGSO-LBPRGKRZSA-N 1 2 380.279 2.496 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1CCn2c[nH+]cc2C1 ZINC000291529790 532903620 /nfs/dbraw/zinc/90/36/20/532903620.db2.gz LDBNOTODHOWRHN-CQSZACIVSA-N 1 2 390.285 2.450 20 0 GEADLO C[C@H](CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1ccc(F)c(Br)c1 ZINC000291608280 532905026 /nfs/dbraw/zinc/90/50/26/532905026.db2.gz DFHOODYANLZAOY-TZMCWYRMSA-N 1 2 386.309 2.444 20 0 GEADLO C[C@H](CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1ccc(F)c(Br)c1 ZINC000291608280 532905028 /nfs/dbraw/zinc/90/50/28/532905028.db2.gz DFHOODYANLZAOY-TZMCWYRMSA-N 1 2 386.309 2.444 20 0 GEADLO C[C@@H]([NH2+]Cc1c(Br)cncc1Br)C(=O)NCCF ZINC000291649442 532905885 /nfs/dbraw/zinc/90/58/85/532905885.db2.gz UNDDKSNWKCEGBJ-SSDOTTSWSA-N 1 2 383.059 2.170 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](CS(C)(=O)=O)C1)c1ccsc1 ZINC000291699042 532907367 /nfs/dbraw/zinc/90/73/67/532907367.db2.gz UCIJKDKNSBDVGQ-HOCLYGCPSA-N 1 2 387.571 2.207 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000277066426 532907368 /nfs/dbraw/zinc/90/73/68/532907368.db2.gz RVCKNTIFPRBFJB-UONOGXRCSA-N 1 2 395.301 2.185 20 0 GEADLO O=C(c1cc(Br)c(F)cc1F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000365367442 532910163 /nfs/dbraw/zinc/91/01/63/532910163.db2.gz UWHKBJRNNWGDCU-SNVBAGLBSA-N 1 2 375.213 2.274 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)COc1ccc(Br)cc1 ZINC000365695956 532911679 /nfs/dbraw/zinc/91/16/79/532911679.db2.gz DUPHOCRORRCNIE-CZUORRHYSA-N 1 2 383.286 2.150 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCCOC1)Nc1cccc(Br)c1 ZINC000366273207 532915816 /nfs/dbraw/zinc/91/58/16/532915816.db2.gz PGOYZZRAMORJOY-QGZVFWFLSA-N 1 2 398.301 2.452 20 0 GEADLO Cc1nn(C)c(C[N@H+](C)C2CCN(c3cccnn3)CC2)c1Br ZINC000365957517 532913410 /nfs/dbraw/zinc/91/34/10/532913410.db2.gz XGJHKTRZFKUVMI-UHFFFAOYSA-N 1 2 379.306 2.382 20 0 GEADLO Cc1nn(C)c(C[N@@H+](C)C2CCN(c3cccnn3)CC2)c1Br ZINC000365957517 532913411 /nfs/dbraw/zinc/91/34/11/532913411.db2.gz XGJHKTRZFKUVMI-UHFFFAOYSA-N 1 2 379.306 2.382 20 0 GEADLO O=C(CSc1ccc(C(F)(F)F)cn1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366079334 532914166 /nfs/dbraw/zinc/91/41/66/532914166.db2.gz LROIMJFPALYKBO-CYBMUJFWSA-N 1 2 375.416 2.126 20 0 GEADLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)NCCc1ccc(Cl)cc1 ZINC000366397360 532916961 /nfs/dbraw/zinc/91/69/61/532916961.db2.gz BRNYGIKPKCQCPZ-KRWDZBQOSA-N 1 2 386.945 2.288 20 0 GEADLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)NCCc1ccc(Cl)cc1 ZINC000366397360 532916963 /nfs/dbraw/zinc/91/69/63/532916963.db2.gz BRNYGIKPKCQCPZ-KRWDZBQOSA-N 1 2 386.945 2.288 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCn3cc(C)[nH+]c3C2)c(Br)c1 ZINC000366484629 532917869 /nfs/dbraw/zinc/91/78/69/532917869.db2.gz VPWNILAQXZOMPA-UHFFFAOYSA-N 1 2 386.271 2.167 20 0 GEADLO CC(C)(C)OC(=O)Nc1ncc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)s1 ZINC000292763238 532918010 /nfs/dbraw/zinc/91/80/10/532918010.db2.gz JSTDAKCBEOSBDO-LLVKDONJSA-N 1 2 375.516 2.357 20 0 GEADLO CC(C)(C)OC(=O)Nc1ncc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)s1 ZINC000292763238 532918012 /nfs/dbraw/zinc/91/80/12/532918012.db2.gz JSTDAKCBEOSBDO-LLVKDONJSA-N 1 2 375.516 2.357 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1)Nc1cc(Cl)ccc1Cl ZINC000293099248 532921907 /nfs/dbraw/zinc/92/19/07/532921907.db2.gz XORJMDKHJIGENE-ZDUSSCGKSA-N 1 2 384.267 2.353 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1)Nc1cc(Cl)ccc1Cl ZINC000293099248 532921909 /nfs/dbraw/zinc/92/19/09/532921909.db2.gz XORJMDKHJIGENE-ZDUSSCGKSA-N 1 2 384.267 2.353 20 0 GEADLO C[C@H]1[C@@H](NC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCS1(=O)=O ZINC000292840511 532919168 /nfs/dbraw/zinc/91/91/68/532919168.db2.gz YKJGCXJGINFGGF-OBJOEFQTSA-N 1 2 386.543 2.072 20 0 GEADLO C[C@H]1[C@@H](NC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCS1(=O)=O ZINC000292840511 532919169 /nfs/dbraw/zinc/91/91/69/532919169.db2.gz YKJGCXJGINFGGF-OBJOEFQTSA-N 1 2 386.543 2.072 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c(Cl)c1 ZINC000292945803 532920323 /nfs/dbraw/zinc/92/03/23/532920323.db2.gz ABRUHPUNKDUGSD-ZDUSSCGKSA-N 1 2 389.901 2.262 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)c(Cl)c1 ZINC000292945803 532920324 /nfs/dbraw/zinc/92/03/24/532920324.db2.gz ABRUHPUNKDUGSD-ZDUSSCGKSA-N 1 2 389.901 2.262 20 0 GEADLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2C[C@@H](O)COCC(F)(F)F)n1 ZINC000292956231 532920433 /nfs/dbraw/zinc/92/04/33/532920433.db2.gz ORNRTUFJLLKHJT-ZYHUDNBSSA-N 1 2 382.404 2.397 20 0 GEADLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2C[C@@H](O)COCC(F)(F)F)n1 ZINC000292956231 532920434 /nfs/dbraw/zinc/92/04/34/532920434.db2.gz ORNRTUFJLLKHJT-ZYHUDNBSSA-N 1 2 382.404 2.397 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@@H]2N1 ZINC000366762112 532921057 /nfs/dbraw/zinc/92/10/57/532921057.db2.gz WIOCNRDEEJBVLN-KBPBESRZSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@@H]2N1 ZINC000366762112 532921059 /nfs/dbraw/zinc/92/10/59/532921059.db2.gz WIOCNRDEEJBVLN-KBPBESRZSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@@H]2CC[N@@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@H]2N1 ZINC000366762117 532921158 /nfs/dbraw/zinc/92/11/58/532921158.db2.gz WIOCNRDEEJBVLN-ZIAGYGMSSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@@H]2CC[N@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@H]2N1 ZINC000366762117 532921160 /nfs/dbraw/zinc/92/11/60/532921160.db2.gz WIOCNRDEEJBVLN-ZIAGYGMSSA-N 1 2 392.253 2.193 20 0 GEADLO Cn1cc(Br)c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000293300015 532925024 /nfs/dbraw/zinc/92/50/24/532925024.db2.gz YTPWUJSJPHREFP-UHFFFAOYSA-N 1 2 379.258 2.267 20 0 GEADLO O=C1CO[C@H]2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)C[C@H]2N1 ZINC000367154544 532922929 /nfs/dbraw/zinc/92/29/29/532922929.db2.gz VGLGFOMIBZDETO-YPMHNXCESA-N 1 2 380.217 2.230 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1Br)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367887414 532928401 /nfs/dbraw/zinc/92/84/01/532928401.db2.gz RXYGFGINMHALDA-SECBINFHSA-N 1 2 389.649 2.330 20 0 GEADLO O=C(Nc1ccc(Br)cc1Cl)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367986815 532929218 /nfs/dbraw/zinc/92/92/18/532929218.db2.gz KOMOCEHPOQGMMU-SECBINFHSA-N 1 2 397.660 2.438 20 0 GEADLO O=C(Nc1ccc(Br)cc1Cl)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367986815 532929219 /nfs/dbraw/zinc/92/92/19/532929219.db2.gz KOMOCEHPOQGMMU-SECBINFHSA-N 1 2 397.660 2.438 20 0 GEADLO CS(=O)(=O)Nc1ccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000367999310 532929464 /nfs/dbraw/zinc/92/94/64/532929464.db2.gz COBZZJVOVRZOPT-JTQLQIEISA-N 1 2 383.861 2.114 20 0 GEADLO CS(=O)(=O)Nc1ccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000367999310 532929465 /nfs/dbraw/zinc/92/94/65/532929465.db2.gz COBZZJVOVRZOPT-JTQLQIEISA-N 1 2 383.861 2.114 20 0 GEADLO C[C@H](C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1)[NH+]1CCN(C)CC1 ZINC000293816371 532931896 /nfs/dbraw/zinc/93/18/96/532931896.db2.gz DZFZIEVMLVLLRJ-NVXWUHKLSA-N 1 2 394.357 2.476 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000294070364 532935160 /nfs/dbraw/zinc/93/51/60/532935160.db2.gz BQUSASXQKHPGNP-CQSZACIVSA-N 1 2 380.242 2.386 20 0 GEADLO Cc1cc(C)nc(SCC(=O)NC2CC[NH+](Cc3cscn3)CC2)n1 ZINC000368933842 532935620 /nfs/dbraw/zinc/93/56/20/532935620.db2.gz WHZMBRFGJIPNEF-UHFFFAOYSA-N 1 2 377.539 2.423 20 0 GEADLO Cn1cc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(C(F)(F)F)n1 ZINC000293883253 532933059 /nfs/dbraw/zinc/93/30/59/532933059.db2.gz BMSUJWJZSMPENQ-SNVBAGLBSA-N 1 2 382.433 2.082 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1OC ZINC000368806926 532934478 /nfs/dbraw/zinc/93/44/78/532934478.db2.gz UJWXRDNZWRQLBJ-CYBMUJFWSA-N 1 2 398.301 2.456 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1OC ZINC000368806926 532934480 /nfs/dbraw/zinc/93/44/80/532934480.db2.gz UJWXRDNZWRQLBJ-CYBMUJFWSA-N 1 2 398.301 2.456 20 0 GEADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2sccc2OC(F)F)CC1 ZINC000369014471 532936142 /nfs/dbraw/zinc/93/61/42/532936142.db2.gz CHKTWFKTEJCLLT-UHFFFAOYSA-N 1 2 375.441 2.022 20 0 GEADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2sccc2OC(F)F)CC1 ZINC000369014471 532936143 /nfs/dbraw/zinc/93/61/43/532936143.db2.gz CHKTWFKTEJCLLT-UHFFFAOYSA-N 1 2 375.441 2.022 20 0 GEADLO NS(=O)(=O)CCCCNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000294154712 532936349 /nfs/dbraw/zinc/93/63/49/532936349.db2.gz LYZYMDTXGKKAOB-UHFFFAOYSA-N 1 2 383.857 2.326 20 0 GEADLO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1ccnc(Br)c1 ZINC000294340002 532938238 /nfs/dbraw/zinc/93/82/38/532938238.db2.gz XKPYEYVYGYBXSN-UHFFFAOYSA-N 1 2 392.257 2.397 20 0 GEADLO COC(=O)[C@@H](NC[C@]1([NH+]2CCOCC2)CCSC1)c1cccc(Cl)c1 ZINC000369404093 532939352 /nfs/dbraw/zinc/93/93/52/532939352.db2.gz OTWSSBUEELERPH-FUHWJXTLSA-N 1 2 384.929 2.352 20 0 GEADLO CCS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000370353728 532943078 /nfs/dbraw/zinc/94/30/78/532943078.db2.gz RLNOVNZPBSDIBL-OWCLPIDISA-N 1 2 376.588 2.018 20 0 GEADLO CCS[C@@H]1CCCC[N@H+]([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000370353728 532943079 /nfs/dbraw/zinc/94/30/79/532943079.db2.gz RLNOVNZPBSDIBL-OWCLPIDISA-N 1 2 376.588 2.018 20 0 GEADLO CN1C[C@@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN2C1=O ZINC000369697729 532940518 /nfs/dbraw/zinc/94/05/18/532940518.db2.gz ZWGOWAOIPOXKIY-MRXNPFEDSA-N 1 2 390.285 2.186 20 0 GEADLO CN1C[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN2C1=O ZINC000369697729 532940519 /nfs/dbraw/zinc/94/05/19/532940519.db2.gz ZWGOWAOIPOXKIY-MRXNPFEDSA-N 1 2 390.285 2.186 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369815815 532940995 /nfs/dbraw/zinc/94/09/95/532940995.db2.gz HJAIJAFWSAKLAR-QGZVFWFLSA-N 1 2 394.313 2.310 20 0 GEADLO Cn1cc(C[C@@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000370003998 532941667 /nfs/dbraw/zinc/94/16/67/532941667.db2.gz BAMCPIUQVQSGFC-LRDDRELGSA-N 1 2 377.286 2.274 20 0 GEADLO Cn1cc(C[C@@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000370003998 532941668 /nfs/dbraw/zinc/94/16/68/532941668.db2.gz BAMCPIUQVQSGFC-LRDDRELGSA-N 1 2 377.286 2.274 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370953656 532946230 /nfs/dbraw/zinc/94/62/30/532946230.db2.gz OASTYAQWOGDGIG-SWLSCSKDSA-N 1 2 385.917 2.132 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370953656 532946231 /nfs/dbraw/zinc/94/62/31/532946231.db2.gz OASTYAQWOGDGIG-SWLSCSKDSA-N 1 2 385.917 2.132 20 0 GEADLO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000371056327 532946781 /nfs/dbraw/zinc/94/67/81/532946781.db2.gz RYDVGGJOOCRNTK-QWRGUYRKSA-N 1 2 378.466 2.443 20 0 GEADLO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000371056327 532946782 /nfs/dbraw/zinc/94/67/82/532946782.db2.gz RYDVGGJOOCRNTK-QWRGUYRKSA-N 1 2 378.466 2.443 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000371167833 532947156 /nfs/dbraw/zinc/94/71/56/532947156.db2.gz WQAWFIRBZYGLJS-KRWDZBQOSA-N 1 2 387.933 2.424 20 0 GEADLO Cc1cc(NC(=O)CN(C)c2cc(N[C@H]3CCCO[C@H]3C(C)C)[nH+]cn2)no1 ZINC000275764211 570699414 /nfs/dbraw/zinc/69/94/14/570699414.db2.gz RTBRNHPPHBXFSY-LIRRHRJNSA-N 1 2 388.472 2.463 20 0 GEADLO Cc1cc(NC(=O)CN(C)c2cc(N[C@H]3CCCO[C@H]3C(C)C)nc[nH+]2)no1 ZINC000275764211 570699418 /nfs/dbraw/zinc/69/94/18/570699418.db2.gz RTBRNHPPHBXFSY-LIRRHRJNSA-N 1 2 388.472 2.463 20 0 GEADLO CC(C)[C@@H]1CC(=O)N(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735746937 598828081 /nfs/dbraw/zinc/82/80/81/598828081.db2.gz MPDLFVWVPYCVDO-MRXNPFEDSA-N 1 2 384.484 2.172 20 0 GEADLO CC(C)[C@@H]1CC(=O)N(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000735748883 598828957 /nfs/dbraw/zinc/82/89/57/598828957.db2.gz YOVKTXINCCUIEN-MRXNPFEDSA-N 1 2 384.484 2.172 20 0 GEADLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000736823296 598850816 /nfs/dbraw/zinc/85/08/16/598850816.db2.gz VIUPQJCZKRCVNF-SFHVURJKSA-N 1 2 378.436 2.320 20 0 GEADLO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000736823296 598850817 /nfs/dbraw/zinc/85/08/17/598850817.db2.gz VIUPQJCZKRCVNF-SFHVURJKSA-N 1 2 378.436 2.320 20 0 GEADLO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000738163111 598964510 /nfs/dbraw/zinc/96/45/10/598964510.db2.gz OMAHOTKQMAWESX-GOSISDBHSA-N 1 2 396.426 2.142 20 0 GEADLO O=C(CCC1CC1)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000737824247 599000292 /nfs/dbraw/zinc/00/02/92/599000292.db2.gz OJFJQASZTTXMMB-UHFFFAOYSA-N 1 2 377.452 2.254 20 0 GEADLO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738208824 599024739 /nfs/dbraw/zinc/02/47/39/599024739.db2.gz HRHWRZNMQJONQC-UHFFFAOYSA-N 1 2 384.469 2.347 20 0 GEADLO CC[N@H+](C)[C@H](C(=O)OCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736509292 599030929 /nfs/dbraw/zinc/03/09/29/599030929.db2.gz DOJJMTAMXGMHKX-SFHVURJKSA-N 1 2 381.436 2.482 20 0 GEADLO CC[N@@H+](C)[C@H](C(=O)OCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736509292 599030931 /nfs/dbraw/zinc/03/09/31/599030931.db2.gz DOJJMTAMXGMHKX-SFHVURJKSA-N 1 2 381.436 2.482 20 0 GEADLO Cc1nnc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c(-c2nn[nH]n2)c1C ZINC000822515819 599053543 /nfs/dbraw/zinc/05/35/43/599053543.db2.gz QDHUYLVVDXKDJY-UHFFFAOYSA-N 1 2 393.499 2.420 20 0 GEADLO COc1cc(C)c([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000737039868 599091804 /nfs/dbraw/zinc/09/18/04/599091804.db2.gz LLCKWSZBXCNMBT-XIKOKIGWSA-N 1 2 396.451 2.070 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CCN1C(=O)OC(C)(C)C ZINC000736287788 599141035 /nfs/dbraw/zinc/14/10/35/599141035.db2.gz FNRNZUGTVJLMFK-GFCCVEGCSA-N 1 2 376.436 2.447 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)CCN1C(=O)OC(C)(C)C ZINC000736287788 599141037 /nfs/dbraw/zinc/14/10/37/599141037.db2.gz FNRNZUGTVJLMFK-GFCCVEGCSA-N 1 2 376.436 2.447 20 0 GEADLO O=C(/C=C/C1CC1)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822923237 599149260 /nfs/dbraw/zinc/14/92/60/599149260.db2.gz PAKNTVLLQABBLK-BQYQJAHWSA-N 1 2 375.436 2.030 20 0 GEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000736779609 599223799 /nfs/dbraw/zinc/22/37/99/599223799.db2.gz KNDIQUMENIXHNR-UHFFFAOYSA-N 1 2 391.479 2.332 20 0 GEADLO FC(F)(F)[C@H]1CCCn2c(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)nnc21 ZINC000737626686 599285467 /nfs/dbraw/zinc/28/54/67/599285467.db2.gz JDYJXUIRDDURIV-LBPRGKRZSA-N 1 2 378.362 2.188 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000737300584 599285957 /nfs/dbraw/zinc/28/59/57/599285957.db2.gz CHNFURCEUKRERP-UHFFFAOYSA-N 1 2 399.411 2.301 20 0 GEADLO O=c1oc2ccccc2n1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738379573 598244028 /nfs/dbraw/zinc/24/40/28/598244028.db2.gz BMLQMRSBQYYWLX-UHFFFAOYSA-N 1 2 392.419 2.276 20 0 GEADLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736275313 598251063 /nfs/dbraw/zinc/25/10/63/598251063.db2.gz WYIHZHXIJLBFMP-WMZOPIPTSA-N 1 2 397.527 2.026 20 0 GEADLO O[C@@H](C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)c1cccc(F)c1 ZINC000738380473 598256756 /nfs/dbraw/zinc/25/67/56/598256756.db2.gz GNCDABLOLAQKRF-SFHVURJKSA-N 1 2 386.406 2.001 20 0 GEADLO O=C(C[N@@H+]1CCCO[C@H](c2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737872397 598311990 /nfs/dbraw/zinc/31/19/90/598311990.db2.gz HCNRPYQNJRFOBK-SFHVURJKSA-N 1 2 378.436 2.269 20 0 GEADLO O=C(C[N@H+]1CCCO[C@H](c2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737872397 598311992 /nfs/dbraw/zinc/31/19/92/598311992.db2.gz HCNRPYQNJRFOBK-SFHVURJKSA-N 1 2 378.436 2.269 20 0 GEADLO O=C(NCc1ccc(-c2nn[nH]n2)cc1F)NCc1ccccc1-n1cc[nH+]c1 ZINC000738100399 598320035 /nfs/dbraw/zinc/32/00/35/598320035.db2.gz OOURKJAYBFQSPR-UHFFFAOYSA-N 1 2 392.398 2.191 20 0 GEADLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736140454 598332903 /nfs/dbraw/zinc/33/29/03/598332903.db2.gz WKWGLMXLAMLCGI-KBPBESRZSA-N 1 2 380.456 2.039 20 0 GEADLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736140454 598332904 /nfs/dbraw/zinc/33/29/04/598332904.db2.gz WKWGLMXLAMLCGI-KBPBESRZSA-N 1 2 380.456 2.039 20 0 GEADLO C[C@@H](c1nc(C2CC2)no1)N1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736203345 598365561 /nfs/dbraw/zinc/36/55/61/598365561.db2.gz MYINZIGWJDBLNY-LBPRGKRZSA-N 1 2 398.446 2.145 20 0 GEADLO CCOc1cccc(N2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)n1 ZINC000736653516 598406653 /nfs/dbraw/zinc/40/66/53/598406653.db2.gz BJMYYNIIUFEGGN-UHFFFAOYSA-N 1 2 383.431 2.122 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)n2)C1 ZINC000736277958 598460206 /nfs/dbraw/zinc/46/02/06/598460206.db2.gz OICHZIBFLOYRBC-NSHDSACASA-N 1 2 384.469 2.202 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)n2)C1 ZINC000736277958 598460208 /nfs/dbraw/zinc/46/02/08/598460208.db2.gz OICHZIBFLOYRBC-NSHDSACASA-N 1 2 384.469 2.202 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000738075814 598556306 /nfs/dbraw/zinc/55/63/06/598556306.db2.gz RDWCVVAOPHDAAI-UHFFFAOYSA-N 1 2 393.407 2.055 20 0 GEADLO CC[N@H+](CC(=O)NCC(=O)c1cccs1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736510652 598621561 /nfs/dbraw/zinc/62/15/61/598621561.db2.gz DUMKBHSFPKSBQT-CYBMUJFWSA-N 1 2 398.492 2.310 20 0 GEADLO CC[N@@H+](CC(=O)NCC(=O)c1cccs1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736510652 598621562 /nfs/dbraw/zinc/62/15/62/598621562.db2.gz DUMKBHSFPKSBQT-CYBMUJFWSA-N 1 2 398.492 2.310 20 0 GEADLO Clc1cccc(-c2nn[nH]n2)c1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000737573920 598635564 /nfs/dbraw/zinc/63/55/64/598635564.db2.gz GZSMKOBVSQJDHL-INIZCTEOSA-N 1 2 380.905 2.140 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)c1C ZINC000737024370 598658748 /nfs/dbraw/zinc/65/87/48/598658748.db2.gz HIQAXGWHJSCWGH-UHFFFAOYSA-N 1 2 384.465 2.296 20 0 GEADLO Cn1cc([C@@H]2CCC[N@@H+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)cn1 ZINC000737606926 598672347 /nfs/dbraw/zinc/67/23/47/598672347.db2.gz UDGQWUXSXPKGCU-SFHVURJKSA-N 1 2 375.440 2.258 20 0 GEADLO Cn1cc([C@@H]2CCC[N@H+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)cn1 ZINC000737606926 598672348 /nfs/dbraw/zinc/67/23/48/598672348.db2.gz UDGQWUXSXPKGCU-SFHVURJKSA-N 1 2 375.440 2.258 20 0 GEADLO COc1ccc2c(c1)C[N@H+]([C@@H]1CCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000821849601 607364107 /nfs/dbraw/zinc/36/41/07/607364107.db2.gz MTPGVZRMQMHMDP-LJQANCHMSA-N 1 2 390.447 2.039 20 0 GEADLO COc1ccc2c(c1)C[N@@H+]([C@@H]1CCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000821849601 607364109 /nfs/dbraw/zinc/36/41/09/607364109.db2.gz MTPGVZRMQMHMDP-LJQANCHMSA-N 1 2 390.447 2.039 20 0 GEADLO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000735659524 598698520 /nfs/dbraw/zinc/69/85/20/598698520.db2.gz BVOQMAMGMARDMS-AWEZNQCLSA-N 1 2 383.460 2.489 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736788797 599318205 /nfs/dbraw/zinc/31/82/05/599318205.db2.gz PSKPZPKWONPHCV-UHFFFAOYSA-N 1 2 396.467 2.147 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736788797 599318207 /nfs/dbraw/zinc/31/82/07/599318207.db2.gz PSKPZPKWONPHCV-UHFFFAOYSA-N 1 2 396.467 2.147 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000822161048 599392003 /nfs/dbraw/zinc/39/20/03/599392003.db2.gz NXHIPCJENHOHGB-UHFFFAOYSA-N 1 2 391.229 2.259 20 0 GEADLO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCCN1CCc2ccccc2C1 ZINC000738439694 599483361 /nfs/dbraw/zinc/48/33/61/599483361.db2.gz BNYXYOGVJDWKQS-UHFFFAOYSA-N 1 2 388.479 2.052 20 0 GEADLO c1nc2ccc(-c3nn[nH]n3)cn2c1CNCCC[N@@H+]1CCc2ccccc2C1 ZINC000738439694 599483364 /nfs/dbraw/zinc/48/33/64/599483364.db2.gz BNYXYOGVJDWKQS-UHFFFAOYSA-N 1 2 388.479 2.052 20 0 GEADLO c1nc2ccc(-c3nn[nH]n3)cn2c1CNCCC[N@H+]1CCc2ccccc2C1 ZINC000738439694 599483367 /nfs/dbraw/zinc/48/33/67/599483367.db2.gz BNYXYOGVJDWKQS-UHFFFAOYSA-N 1 2 388.479 2.052 20 0 GEADLO CNc1cc(N2CCC[C@H]2CNc2cc(Cl)ccc2-c2nn[nH]n2)nc[nH+]1 ZINC000821637674 599531854 /nfs/dbraw/zinc/53/18/54/599531854.db2.gz OUCIXPPIHNPLLR-LBPRGKRZSA-N 1 2 385.863 2.433 20 0 GEADLO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)c2)C[C@@H](C)O1 ZINC000736290946 599547484 /nfs/dbraw/zinc/54/74/84/599547484.db2.gz SDNJXRYDDJTJND-ZIAGYGMSSA-N 1 2 393.451 2.123 20 0 GEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1sccc1-c1nn[nH]n1 ZINC000737341007 599551058 /nfs/dbraw/zinc/55/10/58/599551058.db2.gz IUEILJFEGHNQKS-UHFFFAOYSA-N 1 2 384.465 2.321 20 0 GEADLO CCO[C@H]1C[C@@H](O)C12CCN(c1c(-c3nn[nH]n3)c[nH+]c3c(C)cccc31)CC2 ZINC000821361127 599571022 /nfs/dbraw/zinc/57/10/22/599571022.db2.gz SWWOHKDKGWIYKJ-SJORKVTESA-N 1 2 394.479 2.480 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(-c4nn[nH]n4)c3)CC2)s1 ZINC000736692659 599573016 /nfs/dbraw/zinc/57/30/16/599573016.db2.gz UCVOEKJTVZKTJA-UHFFFAOYSA-N 1 2 382.493 2.449 20 0 GEADLO Cn1ccnc1[C@H](O)C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822699069 607387808 /nfs/dbraw/zinc/38/78/08/607387808.db2.gz MYZWXPWHSCBDKL-GOSISDBHSA-N 1 2 390.451 2.098 20 0 GEADLO CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c3ccccc3)cc2)CC1 ZINC000737123006 599784267 /nfs/dbraw/zinc/78/42/67/599784267.db2.gz ORPZILXMWKDHEW-OAQYLSRUSA-N 1 2 396.491 2.183 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1COC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000821736095 607417665 /nfs/dbraw/zinc/41/76/65/607417665.db2.gz AWKPGYXOUATOQT-AWEZNQCLSA-N 1 2 381.436 2.439 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1COC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000821736095 607417668 /nfs/dbraw/zinc/41/76/68/607417668.db2.gz AWKPGYXOUATOQT-AWEZNQCLSA-N 1 2 381.436 2.439 20 0 GEADLO O=C([O-])Nc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000740025762 600093115 /nfs/dbraw/zinc/09/31/15/600093115.db2.gz WPCSSZIGZWJUGN-INIZCTEOSA-N 1 2 383.452 2.222 20 0 GEADLO O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000740025762 600093117 /nfs/dbraw/zinc/09/31/17/600093117.db2.gz WPCSSZIGZWJUGN-INIZCTEOSA-N 1 2 383.452 2.222 20 0 GEADLO CC[C@]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)(C(=O)[O-])c1ccccc1 ZINC000736914961 600129595 /nfs/dbraw/zinc/12/95/95/600129595.db2.gz AFOTUWJKUJXHTL-JOCHJYFZSA-N 1 2 396.491 2.100 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000736202957 600432439 /nfs/dbraw/zinc/43/24/39/600432439.db2.gz APAVJTNSKAJYHZ-ZWKOTPCHSA-N 1 2 379.545 2.286 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000736202957 600432441 /nfs/dbraw/zinc/43/24/41/600432441.db2.gz APAVJTNSKAJYHZ-ZWKOTPCHSA-N 1 2 379.545 2.286 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H](C(=O)[O-])c3ccccc3F)cc2)CC1 ZINC000830949132 600738646 /nfs/dbraw/zinc/73/86/46/600738646.db2.gz BOKKAKCPBHEYJW-IBGZPJMESA-N 1 2 385.439 2.129 20 0 GEADLO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)cc1-c1nn[nH]n1 ZINC000826194997 607517260 /nfs/dbraw/zinc/51/72/60/607517260.db2.gz DLAPLBQXTRTOBI-UHFFFAOYSA-N 1 2 392.463 2.142 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(C(=O)[O-])CC3)CC2)cc1 ZINC000262674939 601823913 /nfs/dbraw/zinc/82/39/13/601823913.db2.gz TWZNTFOGTZABTH-UHFFFAOYSA-N 1 2 387.524 2.251 20 0 GEADLO Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC(CCC(=O)[O-])CC2)CC1 ZINC000662219104 601841937 /nfs/dbraw/zinc/84/19/37/601841937.db2.gz ZVZQTWXLJYUFPM-UHFFFAOYSA-N 1 2 387.524 2.216 20 0 GEADLO Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(CCC(=O)[O-])CC3)CC2)c1 ZINC000662218741 601842052 /nfs/dbraw/zinc/84/20/52/601842052.db2.gz UMTOFRHRCRVFJD-UHFFFAOYSA-N 1 2 387.524 2.216 20 0 GEADLO C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(F)c(NC(=O)[O-])c3)CC2)CC1 ZINC000739729523 602508490 /nfs/dbraw/zinc/50/84/90/602508490.db2.gz SEVFEOWWGCTTMN-UHFFFAOYSA-N 1 2 378.448 2.204 20 0 GEADLO CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000833417320 604928389 /nfs/dbraw/zinc/92/83/89/604928389.db2.gz PERLWBIDGQQWSW-MRXNPFEDSA-N 1 2 393.553 2.215 20 0 GEADLO CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000833417320 604928390 /nfs/dbraw/zinc/92/83/90/604928390.db2.gz PERLWBIDGQQWSW-MRXNPFEDSA-N 1 2 393.553 2.215 20 0 GEADLO C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000826067655 605102486 /nfs/dbraw/zinc/10/24/86/605102486.db2.gz LTKPSSDAQWVNOV-MXSMSXNCSA-N 1 2 376.501 2.385 20 0 GEADLO C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000826067655 605102487 /nfs/dbraw/zinc/10/24/87/605102487.db2.gz LTKPSSDAQWVNOV-MXSMSXNCSA-N 1 2 376.501 2.385 20 0 GEADLO O=C([O-])N[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000834157858 605792000 /nfs/dbraw/zinc/79/20/00/605792000.db2.gz IQMOQULEAYIJJO-JRGCBEDISA-N 1 2 381.476 2.449 20 0 GEADLO O=C([O-])N[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000834157858 605792001 /nfs/dbraw/zinc/79/20/01/605792001.db2.gz IQMOQULEAYIJJO-JRGCBEDISA-N 1 2 381.476 2.449 20 0 GEADLO C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)Cc1nccs1 ZINC000821598019 606111618 /nfs/dbraw/zinc/11/16/18/606111618.db2.gz NZQLQKIHENOHHJ-UHFFFAOYSA-N 1 2 389.510 2.334 20 0 GEADLO C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)Cc1nccs1 ZINC000821598019 606111620 /nfs/dbraw/zinc/11/16/20/606111620.db2.gz NZQLQKIHENOHHJ-UHFFFAOYSA-N 1 2 389.510 2.334 20 0 GEADLO Cn1c[nH+]cc1COC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822704558 606169723 /nfs/dbraw/zinc/16/97/23/606169723.db2.gz MVVZAMHKUANYAI-UHFFFAOYSA-N 1 2 380.364 2.129 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000822010020 606200721 /nfs/dbraw/zinc/20/07/21/606200721.db2.gz KKZCTXWIWPYTQS-UHFFFAOYSA-N 1 2 389.419 2.407 20 0 GEADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820563614 606269493 /nfs/dbraw/zinc/26/94/93/606269493.db2.gz SEXHHBUMRPRUDE-OAHLLOKOSA-N 1 2 394.454 2.454 20 0 GEADLO COc1ccccc1C[N@H+](C)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821898151 606297849 /nfs/dbraw/zinc/29/78/49/606297849.db2.gz NCUUEOMGPCLFRJ-CQSZACIVSA-N 1 2 384.465 2.174 20 0 GEADLO COc1ccccc1C[N@@H+](C)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821898151 606297850 /nfs/dbraw/zinc/29/78/50/606297850.db2.gz NCUUEOMGPCLFRJ-CQSZACIVSA-N 1 2 384.465 2.174 20 0 GEADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)CCCOc1ccccc1 ZINC000821650659 606315709 /nfs/dbraw/zinc/31/57/09/606315709.db2.gz WLQQNEXWURISCU-SFHVURJKSA-N 1 2 381.436 2.482 20 0 GEADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)CCCOc1ccccc1 ZINC000821650659 606315711 /nfs/dbraw/zinc/31/57/11/606315711.db2.gz WLQQNEXWURISCU-SFHVURJKSA-N 1 2 381.436 2.482 20 0 GEADLO C[NH+]1CCN(C[C@@H](Nc2ccc(Cl)c(-c3nn[nH]n3)n2)c2ccccc2)CC1 ZINC000821627372 606464667 /nfs/dbraw/zinc/46/46/67/606464667.db2.gz YRVCWSMAWIBECR-MRXNPFEDSA-N 1 2 398.902 2.316 20 0 GEADLO CN1CC[NH+](C[C@@H](Nc2ccc(Cl)c(-c3nn[nH]n3)n2)c2ccccc2)CC1 ZINC000821627372 606464669 /nfs/dbraw/zinc/46/46/69/606464669.db2.gz YRVCWSMAWIBECR-MRXNPFEDSA-N 1 2 398.902 2.316 20 0 GEADLO C[C@@H]1CN=C(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)S1 ZINC000820803780 606468128 /nfs/dbraw/zinc/46/81/28/606468128.db2.gz HCOCNZSJSCXSPF-GFCCVEGCSA-N 1 2 380.481 2.028 20 0 GEADLO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000822731389 606489420 /nfs/dbraw/zinc/48/94/20/606489420.db2.gz CQPWHKBBCAFXMC-CYBMUJFWSA-N 1 2 381.383 2.196 20 0 GEADLO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000822731389 606489422 /nfs/dbraw/zinc/48/94/22/606489422.db2.gz CQPWHKBBCAFXMC-CYBMUJFWSA-N 1 2 381.383 2.196 20 0 GEADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc(-c2nn[nH]n2)cs1 ZINC000823372638 606498224 /nfs/dbraw/zinc/49/82/24/606498224.db2.gz IPCQEBQIRMZFQL-UHFFFAOYSA-N 1 2 381.421 2.456 20 0 GEADLO O=C(Cc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000823087221 606519255 /nfs/dbraw/zinc/51/92/55/606519255.db2.gz KXMMDYLVLGFCGC-WEVVVXLNSA-N 1 2 388.475 2.267 20 0 GEADLO O=C1[C@@H]2CCCCC[C@H]2N1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823521333 606632607 /nfs/dbraw/zinc/63/26/07/606632607.db2.gz VETBCJRAPFGJET-RTBURBONSA-N 1 2 396.495 2.459 20 0 GEADLO Cc1cccn2cc(CCNC(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)[nH+]c12 ZINC000822366087 606684590 /nfs/dbraw/zinc/68/45/90/606684590.db2.gz AWWVNXSGSMPYMP-UHFFFAOYSA-N 1 2 383.362 2.074 20 0 GEADLO C[C@]1(c2ccccc2)CC[N@H+](CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820637064 606718182 /nfs/dbraw/zinc/71/81/82/606718182.db2.gz WQVFDAGNRNZAEM-FQEVSTJZSA-N 1 2 397.504 2.304 20 0 GEADLO C[C@]1(c2ccccc2)CC[N@@H+](CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820637064 606718184 /nfs/dbraw/zinc/71/81/84/606718184.db2.gz WQVFDAGNRNZAEM-FQEVSTJZSA-N 1 2 397.504 2.304 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000822335909 606729018 /nfs/dbraw/zinc/72/90/18/606729018.db2.gz NPFDTYNXUBATBQ-FQEVSTJZSA-N 1 2 390.451 2.209 20 0 GEADLO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000820031699 606809054 /nfs/dbraw/zinc/80/90/54/606809054.db2.gz HOSRGONIYFFJQE-SFHVURJKSA-N 1 2 391.435 2.234 20 0 GEADLO O=C(CC1CCCCC1)N1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822940787 606859794 /nfs/dbraw/zinc/85/97/94/606859794.db2.gz DTLLANPXOJPIHI-LJQANCHMSA-N 1 2 398.511 2.015 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821319316 606900278 /nfs/dbraw/zinc/90/02/78/606900278.db2.gz CVKRGDAMAJOKHF-RTBURBONSA-N 1 2 395.463 2.006 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821319316 606900279 /nfs/dbraw/zinc/90/02/79/606900279.db2.gz CVKRGDAMAJOKHF-RTBURBONSA-N 1 2 395.463 2.006 20 0 GEADLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000823383090 606926881 /nfs/dbraw/zinc/92/68/81/606926881.db2.gz KWPWRIDPQFQORZ-HNNXBMFYSA-N 1 2 399.480 2.195 20 0 GEADLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000823383090 606926883 /nfs/dbraw/zinc/92/68/83/606926883.db2.gz KWPWRIDPQFQORZ-HNNXBMFYSA-N 1 2 399.480 2.195 20 0 GEADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822496365 607092216 /nfs/dbraw/zinc/09/22/16/607092216.db2.gz KPDMXDANTIEKPL-INIZCTEOSA-N 1 2 391.439 2.296 20 0 GEADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822496365 607092218 /nfs/dbraw/zinc/09/22/18/607092218.db2.gz KPDMXDANTIEKPL-INIZCTEOSA-N 1 2 391.439 2.296 20 0 GEADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822496366 607092302 /nfs/dbraw/zinc/09/23/02/607092302.db2.gz KPDMXDANTIEKPL-MRXNPFEDSA-N 1 2 391.439 2.296 20 0 GEADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822496366 607092303 /nfs/dbraw/zinc/09/23/03/607092303.db2.gz KPDMXDANTIEKPL-MRXNPFEDSA-N 1 2 391.439 2.296 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000820026978 607163786 /nfs/dbraw/zinc/16/37/86/607163786.db2.gz OEPVDIRQZRQWAH-QGZVFWFLSA-N 1 2 383.456 2.015 20 0 GEADLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000825424210 607801253 /nfs/dbraw/zinc/80/12/53/607801253.db2.gz AWSGGCOERJRWKW-UHFFFAOYSA-N 1 2 385.493 2.400 20 0 GEADLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000825424210 607801254 /nfs/dbraw/zinc/80/12/54/607801254.db2.gz AWSGGCOERJRWKW-UHFFFAOYSA-N 1 2 385.493 2.400 20 0 GEADLO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000826375711 607810565 /nfs/dbraw/zinc/81/05/65/607810565.db2.gz ZBFBFOCECHGDIA-NSHDSACASA-N 1 2 394.389 2.201 20 0 GEADLO C[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCc2ccccc21 ZINC000825946454 607814578 /nfs/dbraw/zinc/81/45/78/607814578.db2.gz YXEMQTYPSHXNCN-GOSISDBHSA-N 1 2 383.477 2.260 20 0 GEADLO C[N@@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCc2ccccc21 ZINC000825946454 607814579 /nfs/dbraw/zinc/81/45/79/607814579.db2.gz YXEMQTYPSHXNCN-GOSISDBHSA-N 1 2 383.477 2.260 20 0 GEADLO CN1C(=O)C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826010725 607853623 /nfs/dbraw/zinc/85/36/23/607853623.db2.gz PMMXQQMGZZZYMS-BBRMVZONSA-N 1 2 390.806 2.314 20 0 GEADLO CC(C)(C)C1=CC[N@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824072417 607985949 /nfs/dbraw/zinc/98/59/49/607985949.db2.gz VQUMQHGSPXNDSV-UHFFFAOYSA-N 1 2 375.498 2.319 20 0 GEADLO CC(C)(C)C1=CC[N@@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824072417 607985950 /nfs/dbraw/zinc/98/59/50/607985950.db2.gz VQUMQHGSPXNDSV-UHFFFAOYSA-N 1 2 375.498 2.319 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826182562 607991943 /nfs/dbraw/zinc/99/19/43/607991943.db2.gz NOYIEADSQCDQOD-YOEHRIQHSA-N 1 2 387.390 2.461 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826182562 607991944 /nfs/dbraw/zinc/99/19/44/607991944.db2.gz NOYIEADSQCDQOD-YOEHRIQHSA-N 1 2 387.390 2.461 20 0 GEADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736293247 608065267 /nfs/dbraw/zinc/06/52/67/608065267.db2.gz SLMXLIGAQHGIBD-CQSZACIVSA-N 1 2 388.472 2.187 20 0 GEADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736293247 608065268 /nfs/dbraw/zinc/06/52/68/608065268.db2.gz SLMXLIGAQHGIBD-CQSZACIVSA-N 1 2 388.472 2.187 20 0 GEADLO FC(F)COc1ncccc1CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000826369830 608150645 /nfs/dbraw/zinc/15/06/45/608150645.db2.gz SHCCTFNTLBHZNB-UHFFFAOYSA-N 1 2 383.362 2.488 20 0 GEADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826389160 608324380 /nfs/dbraw/zinc/32/43/80/608324380.db2.gz REUDDPWUTYIHJI-KRWDZBQOSA-N 1 2 395.854 2.231 20 0 GEADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826389160 608324383 /nfs/dbraw/zinc/32/43/83/608324383.db2.gz REUDDPWUTYIHJI-KRWDZBQOSA-N 1 2 395.854 2.231 20 0 GEADLO Cc1ccc(S(=O)(=O)CCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826293063 608384451 /nfs/dbraw/zinc/38/44/51/608384451.db2.gz ZDKIAZJASVZLJG-UHFFFAOYSA-N 1 2 385.493 2.471 20 0 GEADLO Cc1ccc(S(=O)(=O)CCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826293063 608384453 /nfs/dbraw/zinc/38/44/53/608384453.db2.gz ZDKIAZJASVZLJG-UHFFFAOYSA-N 1 2 385.493 2.471 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(-c2nn[nH]n2)c1C ZINC000826342098 608453983 /nfs/dbraw/zinc/45/39/83/608453983.db2.gz YDASXSFXKVJQCP-CORIIIEPSA-N 1 2 398.471 2.183 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(-c2nn[nH]n2)c1C ZINC000826342098 608453984 /nfs/dbraw/zinc/45/39/84/608453984.db2.gz YDASXSFXKVJQCP-CORIIIEPSA-N 1 2 398.471 2.183 20 0 GEADLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826334233 608527272 /nfs/dbraw/zinc/52/72/72/608527272.db2.gz MUAARWOQAINSMF-UHFFFAOYSA-N 1 2 395.389 2.482 20 0 GEADLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826334233 608527273 /nfs/dbraw/zinc/52/72/73/608527273.db2.gz MUAARWOQAINSMF-UHFFFAOYSA-N 1 2 395.389 2.482 20 0 GEADLO CCOC(=O)c1ccc(C[N@H+](CCOC)Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000825560290 608566130 /nfs/dbraw/zinc/56/61/30/608566130.db2.gz PAZFTGHWSQSSGT-UHFFFAOYSA-N 1 2 385.424 2.285 20 0 GEADLO CCOC(=O)c1ccc(C[N@@H+](CCOC)Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000825560290 608566131 /nfs/dbraw/zinc/56/61/31/608566131.db2.gz PAZFTGHWSQSSGT-UHFFFAOYSA-N 1 2 385.424 2.285 20 0 GEADLO Cn1cc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c(C(C)(C)C)n1 ZINC000826360982 608583364 /nfs/dbraw/zinc/58/33/64/608583364.db2.gz FTURQPLGJUVMAZ-UHFFFAOYSA-N 1 2 398.490 2.359 20 0 GEADLO COc1cccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1OC ZINC000826215898 608640191 /nfs/dbraw/zinc/64/01/91/608640191.db2.gz BONHFSIEPXRSDS-UHFFFAOYSA-N 1 2 398.442 2.345 20 0 GEADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824772051 608798229 /nfs/dbraw/zinc/79/82/29/608798229.db2.gz SUQRQOWCGDUCLH-MGPUTAFESA-N 1 2 396.470 2.418 20 0 GEADLO CC(C)Cc1ncc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)s1 ZINC000824280425 608837803 /nfs/dbraw/zinc/83/78/03/608837803.db2.gz MYBPWFSXWDMMJX-ZDUSSCGKSA-N 1 2 399.528 2.022 20 0 GEADLO CC(C)Cc1ncc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)s1 ZINC000824280425 608837804 /nfs/dbraw/zinc/83/78/04/608837804.db2.gz MYBPWFSXWDMMJX-ZDUSSCGKSA-N 1 2 399.528 2.022 20 0 GEADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825007147 608842810 /nfs/dbraw/zinc/84/28/10/608842810.db2.gz WFODWWXUZBWSGP-KXBFYZLASA-N 1 2 395.463 2.027 20 0 GEADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825007147 608842812 /nfs/dbraw/zinc/84/28/12/608842812.db2.gz WFODWWXUZBWSGP-KXBFYZLASA-N 1 2 395.463 2.027 20 0 GEADLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c(OC)c1 ZINC000826195564 608851013 /nfs/dbraw/zinc/85/10/13/608851013.db2.gz YBKRNXLTCPJFAS-IBGZPJMESA-N 1 2 381.436 2.457 20 0 GEADLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c(OC)c1 ZINC000826195564 608851017 /nfs/dbraw/zinc/85/10/17/608851017.db2.gz YBKRNXLTCPJFAS-IBGZPJMESA-N 1 2 381.436 2.457 20 0 GEADLO Cc1cc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)ccc1Cl ZINC000826266207 609172085 /nfs/dbraw/zinc/17/20/85/609172085.db2.gz GUDHJOBPHACCOP-CYBMUJFWSA-N 1 2 384.875 2.329 20 0 GEADLO Cc1cc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)ccc1Cl ZINC000826266207 609172087 /nfs/dbraw/zinc/17/20/87/609172087.db2.gz GUDHJOBPHACCOP-CYBMUJFWSA-N 1 2 384.875 2.329 20 0 GEADLO c1nc2c(n1-c1ccccc1)CC[N@@H+](CCOc1ccccc1-c1nn[nH]n1)C2 ZINC000826519938 609369474 /nfs/dbraw/zinc/36/94/74/609369474.db2.gz VCWMDDFYNXGVMJ-UHFFFAOYSA-N 1 2 387.447 2.490 20 0 GEADLO c1nc2c(n1-c1ccccc1)CC[N@H+](CCOc1ccccc1-c1nn[nH]n1)C2 ZINC000826519938 609369476 /nfs/dbraw/zinc/36/94/76/609369476.db2.gz VCWMDDFYNXGVMJ-UHFFFAOYSA-N 1 2 387.447 2.490 20 0 GEADLO Cc1nc(N2CCN(c3ccccc3-c3nn[nH]n3)CC2)c2c([nH+]1)CCCC2 ZINC000826328375 609437616 /nfs/dbraw/zinc/43/76/16/609437616.db2.gz PAQQCNGAWHWSBB-UHFFFAOYSA-N 1 2 376.468 2.171 20 0 GEADLO Cc1nc(N2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c2c([nH+]1)CCCC2 ZINC000826328634 609438065 /nfs/dbraw/zinc/43/80/65/609438065.db2.gz YEMJBENZAXFVSK-UHFFFAOYSA-N 1 2 394.458 2.310 20 0 GEADLO Cc1ccc([C@H](CNc2nccc(C)c2-c2nn[nH]n2)[NH+]2CCOCC2)cc1 ZINC000826284266 609537530 /nfs/dbraw/zinc/53/75/30/609537530.db2.gz OFTMDMDABWSSPI-KRWDZBQOSA-N 1 2 379.468 2.364 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1OC ZINC000447870934 650010036 /nfs/dbraw/zinc/01/00/36/650010036.db2.gz GLKXTUQMLDGGRE-CYBMUJFWSA-N 1 2 376.906 2.318 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1OC ZINC000447870934 650010037 /nfs/dbraw/zinc/01/00/37/650010037.db2.gz GLKXTUQMLDGGRE-CYBMUJFWSA-N 1 2 376.906 2.318 20 0 GEADLO OC[C@H]([NH2+]Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCCO1 ZINC000447923796 650010717 /nfs/dbraw/zinc/01/07/17/650010717.db2.gz UESBFOSYLFWRJH-UONOGXRCSA-N 1 2 382.258 2.052 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)C1 ZINC000448007500 650012765 /nfs/dbraw/zinc/01/27/65/650012765.db2.gz AIBJVODZFQVPKR-ZDUSSCGKSA-N 1 2 381.527 2.167 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)C1 ZINC000448007500 650012766 /nfs/dbraw/zinc/01/27/66/650012766.db2.gz AIBJVODZFQVPKR-ZDUSSCGKSA-N 1 2 381.527 2.167 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cccc(Br)c2F)CC1 ZINC000449008876 650029692 /nfs/dbraw/zinc/02/96/92/650029692.db2.gz LCPGHFFADJYMLW-LBPRGKRZSA-N 1 2 384.293 2.373 20 0 GEADLO CCOC(=O)[C@H]1C[N@H+](Cc2cnc3ccc(Br)cn23)CC12COC2 ZINC000449360262 650038667 /nfs/dbraw/zinc/03/86/67/650038667.db2.gz HVFWFBOGXYVGHJ-CQSZACIVSA-N 1 2 394.269 2.108 20 0 GEADLO CCOC(=O)[C@H]1C[N@@H+](Cc2cnc3ccc(Br)cn23)CC12COC2 ZINC000449360262 650038673 /nfs/dbraw/zinc/03/86/73/650038673.db2.gz HVFWFBOGXYVGHJ-CQSZACIVSA-N 1 2 394.269 2.108 20 0 GEADLO CC[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@@H+]1C[C@@H](C)O ZINC000450024907 650058423 /nfs/dbraw/zinc/05/84/23/650058423.db2.gz IQALLVWARPVZIO-GHMZBOCLSA-N 1 2 389.265 2.211 20 0 GEADLO CC[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@H+]1C[C@@H](C)O ZINC000450024907 650058426 /nfs/dbraw/zinc/05/84/26/650058426.db2.gz IQALLVWARPVZIO-GHMZBOCLSA-N 1 2 389.265 2.211 20 0 GEADLO C[C@@H]1CN(CC(F)(F)F)CCN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000450876104 650073304 /nfs/dbraw/zinc/07/33/04/650073304.db2.gz RUZJWAXODIILCW-CYBMUJFWSA-N 1 2 375.464 2.350 20 0 GEADLO CC[C@H](CNS(C)(=O)=O)Nc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000450669597 650069084 /nfs/dbraw/zinc/06/90/84/650069084.db2.gz CELVYKHPJKGUKK-SECBINFHSA-N 1 2 390.278 2.298 20 0 GEADLO C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)C[C@H](C)[N@H+]1CCO ZINC000450786584 650070227 /nfs/dbraw/zinc/07/02/27/650070227.db2.gz AUZNZWQQXUFUKA-TXEJJXNPSA-N 1 2 380.432 2.000 20 0 GEADLO C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)C[C@H](C)[N@@H+]1CCO ZINC000450786584 650070229 /nfs/dbraw/zinc/07/02/29/650070229.db2.gz AUZNZWQQXUFUKA-TXEJJXNPSA-N 1 2 380.432 2.000 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(Cl)c(Br)cc2F)CC[N@@H+]1CCO ZINC000450812454 650070956 /nfs/dbraw/zinc/07/09/56/650070956.db2.gz NCVIBXYTCQLZJQ-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(Cl)c(Br)cc2F)CC[N@H+]1CCO ZINC000450812454 650070958 /nfs/dbraw/zinc/07/09/58/650070958.db2.gz NCVIBXYTCQLZJQ-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO O=S(=O)(C[C@H]1CCCCC1(F)F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000451199339 650096066 /nfs/dbraw/zinc/09/60/66/650096066.db2.gz QYUHGMKWOAYYTO-HZPDHXFCSA-N 1 2 380.501 2.186 20 0 GEADLO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000451187711 650094681 /nfs/dbraw/zinc/09/46/81/650094681.db2.gz GSHKMOLUNPNORI-UHFFFAOYSA-N 1 2 386.901 2.294 20 0 GEADLO CNC(=O)Cc1noc(C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)n1 ZINC000451561021 650125302 /nfs/dbraw/zinc/12/53/02/650125302.db2.gz BFHKJXGWQDVNLN-GFCCVEGCSA-N 1 2 379.258 2.110 20 0 GEADLO CNC(=O)Cc1noc(C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)n1 ZINC000451561021 650125305 /nfs/dbraw/zinc/12/53/05/650125305.db2.gz BFHKJXGWQDVNLN-GFCCVEGCSA-N 1 2 379.258 2.110 20 0 GEADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451575364 650127072 /nfs/dbraw/zinc/12/70/72/650127072.db2.gz XNDXDJJUHUBOEQ-GXTWGEPZSA-N 1 2 398.301 2.099 20 0 GEADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451575364 650127073 /nfs/dbraw/zinc/12/70/73/650127073.db2.gz XNDXDJJUHUBOEQ-GXTWGEPZSA-N 1 2 398.301 2.099 20 0 GEADLO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)c1 ZINC000451651053 650128751 /nfs/dbraw/zinc/12/87/51/650128751.db2.gz LZYGMHZBRRUQCH-HUUCEWRRSA-N 1 2 375.918 2.287 20 0 GEADLO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)c1 ZINC000451651053 650128756 /nfs/dbraw/zinc/12/87/56/650128756.db2.gz LZYGMHZBRRUQCH-HUUCEWRRSA-N 1 2 375.918 2.287 20 0 GEADLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000451933719 650154878 /nfs/dbraw/zinc/15/48/78/650154878.db2.gz PLSQMRCIKYBFCN-GFCCVEGCSA-N 1 2 376.906 2.462 20 0 GEADLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000451933719 650154879 /nfs/dbraw/zinc/15/48/79/650154879.db2.gz PLSQMRCIKYBFCN-GFCCVEGCSA-N 1 2 376.906 2.462 20 0 GEADLO COC[C@@]1(CO)CC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000451940079 650155607 /nfs/dbraw/zinc/15/56/07/650155607.db2.gz XLGCYXREWYOQJH-HNNXBMFYSA-N 1 2 391.693 2.372 20 0 GEADLO COC[C@@]1(CO)CC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000451940079 650155610 /nfs/dbraw/zinc/15/56/10/650155610.db2.gz XLGCYXREWYOQJH-HNNXBMFYSA-N 1 2 391.693 2.372 20 0 GEADLO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000453755523 650223123 /nfs/dbraw/zinc/22/31/23/650223123.db2.gz SLDWADPNBXPVAH-UHFFFAOYSA-N 1 2 381.205 2.074 20 0 GEADLO Cc1nc(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)sc1Br ZINC000454549097 650268922 /nfs/dbraw/zinc/26/89/22/650268922.db2.gz PXXDPBZEIHGKLO-MWLCHTKSSA-N 1 2 391.335 2.122 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc(I)cn1 ZINC000454606415 650273236 /nfs/dbraw/zinc/27/32/36/650273236.db2.gz UDCFQBCKSYADPE-UHFFFAOYSA-N 1 2 396.232 2.192 20 0 GEADLO O=C(c1ccc(I)cn1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000455376722 650301528 /nfs/dbraw/zinc/30/15/28/650301528.db2.gz CVXBTEVFINTHIB-SNVBAGLBSA-N 1 2 382.205 2.429 20 0 GEADLO O=C(c1ccc(I)cn1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000455911150 650325699 /nfs/dbraw/zinc/32/56/99/650325699.db2.gz DRSNYYJIBSPIPJ-ZDUSSCGKSA-N 1 2 395.200 2.375 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1=Cc2cc(Br)ccc2OC1 ZINC000456219701 650334520 /nfs/dbraw/zinc/33/45/20/650334520.db2.gz VELPVKHEANSCAL-IYBDPMFKSA-N 1 2 393.281 2.204 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1=Cc2cc(Br)ccc2OC1 ZINC000456219701 650334522 /nfs/dbraw/zinc/33/45/22/650334522.db2.gz VELPVKHEANSCAL-IYBDPMFKSA-N 1 2 393.281 2.204 20 0 GEADLO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000456707529 650355823 /nfs/dbraw/zinc/35/58/23/650355823.db2.gz CTYVUHHMDZDBCJ-CYBMUJFWSA-N 1 2 380.286 2.381 20 0 GEADLO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000456707529 650355826 /nfs/dbraw/zinc/35/58/26/650355826.db2.gz CTYVUHHMDZDBCJ-CYBMUJFWSA-N 1 2 380.286 2.381 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456719655 650358687 /nfs/dbraw/zinc/35/86/87/650358687.db2.gz NMKNNPITIWXTPJ-GFCCVEGCSA-N 1 2 384.249 2.211 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456719655 650358691 /nfs/dbraw/zinc/35/86/91/650358691.db2.gz NMKNNPITIWXTPJ-GFCCVEGCSA-N 1 2 384.249 2.211 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H](O)CN(CCO)Cc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000502538470 650408154 /nfs/dbraw/zinc/40/81/54/650408154.db2.gz AQKKQPAEKYNMKH-LZWOXQAQSA-N 1 2 391.339 2.258 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H](O)CN(CCO)Cc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000502538470 650408155 /nfs/dbraw/zinc/40/81/55/650408155.db2.gz AQKKQPAEKYNMKH-LZWOXQAQSA-N 1 2 391.339 2.258 20 0 GEADLO Cn1ncc2c1nc[nH+]c2NCCCNC(=O)c1ccc(Br)cc1 ZINC000502724402 650410757 /nfs/dbraw/zinc/41/07/57/650410757.db2.gz UHJVXRMGVREGLM-UHFFFAOYSA-N 1 2 389.257 2.358 20 0 GEADLO Cc1ccc(C[C@@H](CO)CNC(=O)NCc2c[nH+]cn2C)cc1Br ZINC000458799309 650410869 /nfs/dbraw/zinc/41/08/69/650410869.db2.gz FSFRWHDHVCOANW-CQSZACIVSA-N 1 2 395.301 2.141 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2nc(C)c(Br)s2)CCO1 ZINC000458931731 650414763 /nfs/dbraw/zinc/41/47/63/650414763.db2.gz QNIPMNZVOWIVAS-LLVKDONJSA-N 1 2 391.335 2.124 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2nc(C)c(Br)s2)CCO1 ZINC000458931731 650414764 /nfs/dbraw/zinc/41/47/64/650414764.db2.gz QNIPMNZVOWIVAS-LLVKDONJSA-N 1 2 391.335 2.124 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@@H](CCO)c2ccccc2Br)c1 ZINC000459142707 650419427 /nfs/dbraw/zinc/41/94/27/650419427.db2.gz BZRCLOSPTOGGHT-HNNXBMFYSA-N 1 2 381.274 2.148 20 0 GEADLO CCCOc1c(Br)cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1OCC ZINC000459715978 650430845 /nfs/dbraw/zinc/43/08/45/650430845.db2.gz VLPQQTVZBAILBI-HIFRSBDPSA-N 1 2 388.302 2.422 20 0 GEADLO CCCOc1c(Br)cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)cc1OCC ZINC000459715978 650430847 /nfs/dbraw/zinc/43/08/47/650430847.db2.gz VLPQQTVZBAILBI-HIFRSBDPSA-N 1 2 388.302 2.422 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)CCO1 ZINC000505106701 650434771 /nfs/dbraw/zinc/43/47/71/650434771.db2.gz CSDPLEQYRSMEEU-NSHDSACASA-N 1 2 391.256 2.497 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)CCO1 ZINC000505106701 650434773 /nfs/dbraw/zinc/43/47/73/650434773.db2.gz CSDPLEQYRSMEEU-NSHDSACASA-N 1 2 391.256 2.497 20 0 GEADLO COCCC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000506032588 650442902 /nfs/dbraw/zinc/44/29/02/650442902.db2.gz YQPYMSFXHAPKBY-AWEZNQCLSA-N 1 2 391.917 2.383 20 0 GEADLO COCCC[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000506032588 650442903 /nfs/dbraw/zinc/44/29/03/650442903.db2.gz YQPYMSFXHAPKBY-AWEZNQCLSA-N 1 2 391.917 2.383 20 0 GEADLO COc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000507167608 650454856 /nfs/dbraw/zinc/45/48/56/650454856.db2.gz MWLSCRVXWHJRHM-CYBMUJFWSA-N 1 2 391.331 2.361 20 0 GEADLO COc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000507167608 650454857 /nfs/dbraw/zinc/45/48/57/650454857.db2.gz MWLSCRVXWHJRHM-CYBMUJFWSA-N 1 2 391.331 2.361 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000507886838 650468949 /nfs/dbraw/zinc/46/89/49/650468949.db2.gz IPAWBJVUMJBYHE-RYUDHWBXSA-N 1 2 391.331 2.479 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000507886838 650468954 /nfs/dbraw/zinc/46/89/54/650468954.db2.gz IPAWBJVUMJBYHE-RYUDHWBXSA-N 1 2 391.331 2.479 20 0 GEADLO O=C(Cn1cc[nH+]c1)NCc1ccc(Cl)cc1I ZINC000462316046 650475135 /nfs/dbraw/zinc/47/51/35/650475135.db2.gz QRWLWEUSBOVETI-UHFFFAOYSA-N 1 2 375.597 2.458 20 0 GEADLO C[NH+]1CCN(C(=O)c2cc(NCc3cccc(Br)c3)ccn2)CC1 ZINC000508475583 650481128 /nfs/dbraw/zinc/48/11/28/650481128.db2.gz VSKBMCFCPMQOHJ-UHFFFAOYSA-N 1 2 389.297 2.266 20 0 GEADLO C[NH+]1CCN(C(=O)c2cc(NCc3cc(Br)cs3)ccn2)CC1 ZINC000508493919 650481554 /nfs/dbraw/zinc/48/15/54/650481554.db2.gz ZKDJVZLIXAXSCH-UHFFFAOYSA-N 1 2 395.326 2.327 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000509767762 650500155 /nfs/dbraw/zinc/50/01/55/650500155.db2.gz WRWHUNPXAGWPKJ-UHFFFAOYSA-N 1 2 393.292 2.320 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000509767762 650500158 /nfs/dbraw/zinc/50/01/58/650500158.db2.gz WRWHUNPXAGWPKJ-UHFFFAOYSA-N 1 2 393.292 2.320 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000510035643 650505630 /nfs/dbraw/zinc/50/56/30/650505630.db2.gz ODMJCVZPMCKVRT-VHSXEESVSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000510035643 650505632 /nfs/dbraw/zinc/50/56/32/650505632.db2.gz ODMJCVZPMCKVRT-VHSXEESVSA-N 1 2 395.308 2.493 20 0 GEADLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000471000117 650517988 /nfs/dbraw/zinc/51/79/88/650517988.db2.gz YHOLVBLCYRKHHH-UHFFFAOYSA-N 1 2 379.507 2.126 20 0 GEADLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000471000117 650517992 /nfs/dbraw/zinc/51/79/92/650517992.db2.gz YHOLVBLCYRKHHH-UHFFFAOYSA-N 1 2 379.507 2.126 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)[C@@H](C)C1 ZINC000511310956 650533116 /nfs/dbraw/zinc/53/31/16/650533116.db2.gz YOGHCVFJUSMGED-KBPBESRZSA-N 1 2 390.933 2.468 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)[C@@H](C)C1 ZINC000511310956 650533117 /nfs/dbraw/zinc/53/31/17/650533117.db2.gz YOGHCVFJUSMGED-KBPBESRZSA-N 1 2 390.933 2.468 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)[C@@H](C)C1 ZINC000511334504 650534043 /nfs/dbraw/zinc/53/40/43/650534043.db2.gz PHCOCOYGUBRFFY-LBPRGKRZSA-N 1 2 390.347 2.230 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)[C@@H](C)C1 ZINC000511334504 650534046 /nfs/dbraw/zinc/53/40/46/650534046.db2.gz PHCOCOYGUBRFFY-LBPRGKRZSA-N 1 2 390.347 2.230 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc3ncsc3c2)CC[N@@H+]1CCOC ZINC000476503067 650551865 /nfs/dbraw/zinc/55/18/65/650551865.db2.gz BCEVLSADPPGSFZ-AWEZNQCLSA-N 1 2 383.539 2.418 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc3ncsc3c2)CC[N@H+]1CCOC ZINC000476503067 650551868 /nfs/dbraw/zinc/55/18/68/650551868.db2.gz BCEVLSADPPGSFZ-AWEZNQCLSA-N 1 2 383.539 2.418 20 0 GEADLO O=C(Cc1ccc(Br)cc1O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000512727572 650553250 /nfs/dbraw/zinc/55/32/50/650553250.db2.gz IRPUBRIONZXJLD-OAHLLOKOSA-N 1 2 376.254 2.265 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000476541466 650553283 /nfs/dbraw/zinc/55/32/83/650553283.db2.gz UQLADEWLFRBRSP-KBPBESRZSA-N 1 2 390.933 2.468 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000476541466 650553286 /nfs/dbraw/zinc/55/32/86/650553286.db2.gz UQLADEWLFRBRSP-KBPBESRZSA-N 1 2 390.933 2.468 20 0 GEADLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000513161199 650558807 /nfs/dbraw/zinc/55/88/07/650558807.db2.gz QMOIBYLXBUHBEZ-UHFFFAOYSA-N 1 2 384.841 2.363 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(F)c(Br)cc2Cl)CC[N@@H+]1CCO ZINC000476843891 650561104 /nfs/dbraw/zinc/56/11/04/650561104.db2.gz HJIZZYOTYOXCGY-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(F)c(Br)cc2Cl)CC[N@H+]1CCO ZINC000476843891 650561106 /nfs/dbraw/zinc/56/11/06/650561106.db2.gz HJIZZYOTYOXCGY-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO Cn1c2ccc(C[NH2+][C@@H](C(N)=O)c3cccc(Br)c3)cc2oc1=O ZINC000513350507 650561708 /nfs/dbraw/zinc/56/17/08/650561708.db2.gz FEKUHNVVPBYSRA-OAHLLOKOSA-N 1 2 390.237 2.210 20 0 GEADLO CNc1cc(N2CCC[C@@H]2CNC(=O)COc2ccsc2Cl)nc[nH+]1 ZINC000513618786 650566337 /nfs/dbraw/zinc/56/63/37/650566337.db2.gz GMQFLWUBGSAELH-LLVKDONJSA-N 1 2 381.889 2.397 20 0 GEADLO CNc1cc(N2CCC[C@@H]2CNC(=O)COc2ccsc2Cl)[nH+]cn1 ZINC000513618786 650566339 /nfs/dbraw/zinc/56/63/39/650566339.db2.gz GMQFLWUBGSAELH-LLVKDONJSA-N 1 2 381.889 2.397 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cncc(Br)c2)C1)C1CC1 ZINC000515015775 650584704 /nfs/dbraw/zinc/58/47/04/650584704.db2.gz XVVGAYXPDKKRHY-GFCCVEGCSA-N 1 2 388.331 2.138 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cncc(Br)c2)C1)C1CC1 ZINC000515015775 650584705 /nfs/dbraw/zinc/58/47/05/650584705.db2.gz XVVGAYXPDKKRHY-GFCCVEGCSA-N 1 2 388.331 2.138 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(F)cc1Br ZINC000478587797 650588331 /nfs/dbraw/zinc/58/83/31/650588331.db2.gz AUAZSFGYIFWLHQ-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1ccc(F)cc1Br ZINC000478587797 650588336 /nfs/dbraw/zinc/58/83/36/650588336.db2.gz AUAZSFGYIFWLHQ-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000518218929 650603109 /nfs/dbraw/zinc/60/31/09/650603109.db2.gz VELMJTFOWBJJDM-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000518218929 650603114 /nfs/dbraw/zinc/60/31/14/650603114.db2.gz VELMJTFOWBJJDM-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000480074480 650615484 /nfs/dbraw/zinc/61/54/84/650615484.db2.gz BNZRQPISRBLDPJ-ZDUSSCGKSA-N 1 2 387.933 2.331 20 0 GEADLO CCn1cc(Br)c(=O)c(NC(=O)CCCC[NH+]2CCOCC2)c1 ZINC000480610552 650625632 /nfs/dbraw/zinc/62/56/32/650625632.db2.gz OHRINDGUDFHKOL-UHFFFAOYSA-N 1 2 386.290 2.072 20 0 GEADLO O=C(CCNS(=O)(=O)c1cccs1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000523351028 650634349 /nfs/dbraw/zinc/63/43/49/650634349.db2.gz JVXWGVQRHMHFPC-UHFFFAOYSA-N 1 2 376.463 2.445 20 0 GEADLO O=C(NCCC(=O)N1CC(n2cc[nH+]c2)C1)Nc1ccc(Br)cc1 ZINC000523689487 650637134 /nfs/dbraw/zinc/63/71/34/650637134.db2.gz URMSVIBYJRENMD-UHFFFAOYSA-N 1 2 392.257 2.241 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1Br ZINC000523714299 650637255 /nfs/dbraw/zinc/63/72/55/650637255.db2.gz WDMUSLHDGIZRHG-CYBMUJFWSA-N 1 2 385.302 2.227 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1Br ZINC000523714299 650637259 /nfs/dbraw/zinc/63/72/59/650637259.db2.gz WDMUSLHDGIZRHG-CYBMUJFWSA-N 1 2 385.302 2.227 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000481072023 650640230 /nfs/dbraw/zinc/64/02/30/650640230.db2.gz OAJFIUXNPMRJDD-JTQLQIEISA-N 1 2 376.251 2.460 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000524600935 650643678 /nfs/dbraw/zinc/64/36/78/650643678.db2.gz XNJMYLBEAVLCAU-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000524600935 650643680 /nfs/dbraw/zinc/64/36/80/650643680.db2.gz XNJMYLBEAVLCAU-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000481431857 650646515 /nfs/dbraw/zinc/64/65/15/650646515.db2.gz GNLUQSTYFWRXKN-LLVKDONJSA-N 1 2 388.287 2.269 20 0 GEADLO C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000483291056 650676119 /nfs/dbraw/zinc/67/61/19/650676119.db2.gz JEZUELJZZOQDQB-TVQRCGJNSA-N 1 2 393.228 2.138 20 0 GEADLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000483291056 650676122 /nfs/dbraw/zinc/67/61/22/650676122.db2.gz JEZUELJZZOQDQB-TVQRCGJNSA-N 1 2 393.228 2.138 20 0 GEADLO CCn1nncc1C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000527913194 650682875 /nfs/dbraw/zinc/68/28/75/650682875.db2.gz HYPUBNRCEUHUPW-MRVPVSSYSA-N 1 2 378.285 2.103 20 0 GEADLO CC(=O)N1CCc2cc(S(=O)(=O)N3CCc4c[nH+]ccc43)c(Cl)cc21 ZINC000528339484 650689258 /nfs/dbraw/zinc/68/92/58/650689258.db2.gz PKRLDJXEDWBGQT-UHFFFAOYSA-N 1 2 377.853 2.395 20 0 GEADLO CNC(=O)NC[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCO1 ZINC000528121840 650685417 /nfs/dbraw/zinc/68/54/17/650685417.db2.gz QIGCCIPTMYCBBL-LLVKDONJSA-N 1 2 379.258 2.132 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000528535626 650695100 /nfs/dbraw/zinc/69/51/00/650695100.db2.gz KZMXITLSPFRQHL-UHFFFAOYSA-N 1 2 376.881 2.355 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1COc2ccc(Cl)cc21 ZINC000485777557 650700278 /nfs/dbraw/zinc/70/02/78/650700278.db2.gz ZIFIYUXAIMXUSE-YJBOKZPZSA-N 1 2 382.913 2.140 20 0 GEADLO Cc1cccc(Br)c1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529754418 650706738 /nfs/dbraw/zinc/70/67/38/650706738.db2.gz WBQZXUYFTIRBMB-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1cccc(Br)c1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529754418 650706741 /nfs/dbraw/zinc/70/67/41/650706741.db2.gz WBQZXUYFTIRBMB-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC000486259175 650710148 /nfs/dbraw/zinc/71/01/48/650710148.db2.gz XSKVZTKIVMYLRU-UHFFFAOYSA-N 1 2 394.269 2.107 20 0 GEADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cncc(Br)c1 ZINC000486805236 650722324 /nfs/dbraw/zinc/72/23/24/650722324.db2.gz WKBMVQBLLMQUGS-CQSZACIVSA-N 1 2 394.273 2.279 20 0 GEADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cncc(Br)c1 ZINC000486805236 650722326 /nfs/dbraw/zinc/72/23/26/650722326.db2.gz WKBMVQBLLMQUGS-CQSZACIVSA-N 1 2 394.273 2.279 20 0 GEADLO COCCSCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000486807364 650722621 /nfs/dbraw/zinc/72/26/21/650722621.db2.gz DXMJFOZQYJOURE-UHFFFAOYSA-N 1 2 392.974 2.416 20 0 GEADLO O=S(=O)(CC[NH+]1CCC(CCO)CC1)c1cccc(Br)c1 ZINC000530947144 650731412 /nfs/dbraw/zinc/73/14/12/650731412.db2.gz HDDSFEMOBDLALY-UHFFFAOYSA-N 1 2 376.316 2.317 20 0 GEADLO CCS(=O)(=O)C[C@H](C)N(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531079294 650734416 /nfs/dbraw/zinc/73/44/16/650734416.db2.gz XJHOOUNIAGFZRZ-BBRMVZONSA-N 1 2 389.949 2.407 20 0 GEADLO C[C@@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)c1ccc(Br)s1 ZINC000531152713 650735875 /nfs/dbraw/zinc/73/58/75/650735875.db2.gz UOPHYPWVBOXPAL-GFCCVEGCSA-N 1 2 398.330 2.050 20 0 GEADLO C[C@H]1C[C@@H]1C[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000488357709 650744988 /nfs/dbraw/zinc/74/49/88/650744988.db2.gz QAHPHRKDDJWWMQ-WDEREUQCSA-N 1 2 379.345 2.473 20 0 GEADLO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000011219329 642367465 /nfs/dbraw/zinc/36/74/65/642367465.db2.gz DZZJYQGBEFCPKP-JTQLQIEISA-N 1 2 384.274 2.266 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000011219329 642367468 /nfs/dbraw/zinc/36/74/68/642367468.db2.gz DZZJYQGBEFCPKP-JTQLQIEISA-N 1 2 384.274 2.266 20 0 GEADLO CC(C)[N@H+](CC(N)=O)CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000011472583 642369272 /nfs/dbraw/zinc/36/92/72/642369272.db2.gz FKGNUXIYHBRUND-SFHVURJKSA-N 1 2 377.535 2.479 20 0 GEADLO CC(C)[N@@H+](CC(N)=O)CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000011472583 642369278 /nfs/dbraw/zinc/36/92/78/642369278.db2.gz FKGNUXIYHBRUND-SFHVURJKSA-N 1 2 377.535 2.479 20 0 GEADLO O=C(COC(=O)[C@@H]1CC1(Cl)Cl)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000014562464 642377190 /nfs/dbraw/zinc/37/71/90/642377190.db2.gz QIWOBBQJGFWLOA-AWEZNQCLSA-N 1 2 387.263 2.194 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(NCc3ccco3)s2)CC1 ZINC000022088165 642403236 /nfs/dbraw/zinc/40/32/36/642403236.db2.gz MKAOHNJFSWGLCJ-LBPRGKRZSA-N 1 2 381.527 2.388 20 0 GEADLO Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)[NH+]2CCSCC2)cc1 ZINC000533547809 650761960 /nfs/dbraw/zinc/76/19/60/650761960.db2.gz CWCRFCUXNDIZEP-ZBFHGGJFSA-N 1 2 379.551 2.272 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)s1 ZINC000533917296 650767162 /nfs/dbraw/zinc/76/71/62/650767162.db2.gz WDXDGGCGJYYZCV-CJNGLKHVSA-N 1 2 380.491 2.258 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000533917296 650767169 /nfs/dbraw/zinc/76/71/69/650767169.db2.gz WDXDGGCGJYYZCV-CJNGLKHVSA-N 1 2 380.491 2.258 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000533917298 650767203 /nfs/dbraw/zinc/76/72/03/650767203.db2.gz WDXDGGCGJYYZCV-XJKSGUPXSA-N 1 2 380.491 2.258 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000533917298 650767210 /nfs/dbraw/zinc/76/72/10/650767210.db2.gz WDXDGGCGJYYZCV-XJKSGUPXSA-N 1 2 380.491 2.258 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)[N@@H+]1CCc2sccc2C1 ZINC000046802093 642616136 /nfs/dbraw/zinc/61/61/36/642616136.db2.gz GYYGFQIGGUTRHG-ZDUSSCGKSA-N 1 2 378.519 2.408 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)[N@H+]1CCc2sccc2C1 ZINC000046802093 642616154 /nfs/dbraw/zinc/61/61/54/642616154.db2.gz GYYGFQIGGUTRHG-ZDUSSCGKSA-N 1 2 378.519 2.408 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1ccc(F)cc1Br ZINC000049017547 642665505 /nfs/dbraw/zinc/66/55/05/642665505.db2.gz LEONEPXMWSGPGV-UHFFFAOYSA-N 1 2 381.205 2.150 20 0 GEADLO CCS(=O)(=O)N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000052113210 642710462 /nfs/dbraw/zinc/71/04/62/642710462.db2.gz ZKRVEAOTZDAJDK-UHFFFAOYSA-N 1 2 394.324 2.289 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000534637637 650779019 /nfs/dbraw/zinc/77/90/19/650779019.db2.gz ZGGBYRREZPYXKV-GDBMZVCRSA-N 1 2 380.491 2.258 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000534637637 650779021 /nfs/dbraw/zinc/77/90/21/650779021.db2.gz ZGGBYRREZPYXKV-GDBMZVCRSA-N 1 2 380.491 2.258 20 0 GEADLO Cc1cc(N2CCN(C(=O)CSC3=NCCS3)CC2)nc(C(C)C)[nH+]1 ZINC000053313972 642732137 /nfs/dbraw/zinc/73/21/37/642732137.db2.gz SZTXRIVKHIPIMM-UHFFFAOYSA-N 1 2 379.555 2.393 20 0 GEADLO Cn1cc(CCC[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cn1 ZINC000054316739 642751664 /nfs/dbraw/zinc/75/16/64/642751664.db2.gz HIOMVWNYCZKNHF-UHFFFAOYSA-N 1 2 382.917 2.013 20 0 GEADLO CC(C)(C)c1nnc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000056736965 642797389 /nfs/dbraw/zinc/79/73/89/642797389.db2.gz SXIHQABUABMJLZ-INIZCTEOSA-N 1 2 385.559 2.165 20 0 GEADLO N#CCSc1ccccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000057210039 642808807 /nfs/dbraw/zinc/80/88/07/642808807.db2.gz JLHGXMOBULCQOB-SFHVURJKSA-N 1 2 377.535 2.240 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000059323128 642831011 /nfs/dbraw/zinc/83/10/11/642831011.db2.gz CKNOGYNFPQJROD-UKRRQHHQSA-N 1 2 381.464 2.178 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000535826336 650791071 /nfs/dbraw/zinc/79/10/71/650791071.db2.gz VITDVNJHVUGSOP-KRWDZBQOSA-N 1 2 382.917 2.428 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000535826336 650791072 /nfs/dbraw/zinc/79/10/72/650791072.db2.gz VITDVNJHVUGSOP-KRWDZBQOSA-N 1 2 382.917 2.428 20 0 GEADLO O=C(CN1CC[NH+](CCOc2ccc(Br)cc2)CC1)N1CCCC1 ZINC000066695674 642934029 /nfs/dbraw/zinc/93/40/29/642934029.db2.gz KQSVJZYTXKXHSO-UHFFFAOYSA-N 1 2 396.329 2.068 20 0 GEADLO O=S(=O)(NCC[NH+]1CCSCC1)c1cccc(Cl)c1Br ZINC000493953295 650799410 /nfs/dbraw/zinc/79/94/10/650799410.db2.gz RZEOVPQSJORTPM-UHFFFAOYSA-N 1 2 399.763 2.430 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000066918235 642950066 /nfs/dbraw/zinc/95/00/66/642950066.db2.gz UQSOYJWQBYLOHM-UHFFFAOYSA-N 1 2 388.295 2.172 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000066918235 642950072 /nfs/dbraw/zinc/95/00/72/642950072.db2.gz UQSOYJWQBYLOHM-UHFFFAOYSA-N 1 2 388.295 2.172 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000067927517 642981010 /nfs/dbraw/zinc/98/10/10/642981010.db2.gz RSPHPWDYYOZICV-VXGBXAGGSA-N 1 2 387.267 2.318 20 0 GEADLO CC[N@@H+](CC(=O)N(C)CCOc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000494267688 650803266 /nfs/dbraw/zinc/80/32/66/650803266.db2.gz IPWKXFCXCDJDOJ-AWEZNQCLSA-N 1 2 382.810 2.422 20 0 GEADLO CC[N@H+](CC(=O)N(C)CCOc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000494267688 650803270 /nfs/dbraw/zinc/80/32/70/650803270.db2.gz IPWKXFCXCDJDOJ-AWEZNQCLSA-N 1 2 382.810 2.422 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000068507006 643004138 /nfs/dbraw/zinc/00/41/38/643004138.db2.gz YXJSNDUUGGTBCH-IAGOWNOFSA-N 1 2 384.929 2.069 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000068508455 643004412 /nfs/dbraw/zinc/00/44/12/643004412.db2.gz RJTCLYUJUGERMX-UHFFFAOYSA-N 1 2 379.309 2.232 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000068507441 643004605 /nfs/dbraw/zinc/00/46/05/643004605.db2.gz RERIPXCRPZOADS-DLBZAZTESA-N 1 2 384.929 2.069 20 0 GEADLO COc1sc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1Br ZINC000092529824 643071902 /nfs/dbraw/zinc/07/19/02/643071902.db2.gz ONHTWKVLRPKBCE-UHFFFAOYSA-N 1 2 397.360 2.375 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2ccc(Br)s2)CCO1 ZINC000494705807 650814583 /nfs/dbraw/zinc/81/45/83/650814583.db2.gz BWKACRBLZLLXPC-NSHDSACASA-N 1 2 376.320 2.421 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(Br)s2)CCO1 ZINC000494705807 650814585 /nfs/dbraw/zinc/81/45/85/650814585.db2.gz BWKACRBLZLLXPC-NSHDSACASA-N 1 2 376.320 2.421 20 0 GEADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000537525021 650815725 /nfs/dbraw/zinc/81/57/25/650815725.db2.gz KPOUKCMNIBORLG-UHFFFAOYSA-N 1 2 375.300 2.155 20 0 GEADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000537525021 650815726 /nfs/dbraw/zinc/81/57/26/650815726.db2.gz KPOUKCMNIBORLG-UHFFFAOYSA-N 1 2 375.300 2.155 20 0 GEADLO NC(=O)NC(=O)CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000103479758 643167952 /nfs/dbraw/zinc/16/79/52/643167952.db2.gz ULBUWIZGDVXPGM-ZDUSSCGKSA-N 1 2 387.267 2.371 20 0 GEADLO NC(=O)NC(=O)CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000103479758 643167958 /nfs/dbraw/zinc/16/79/58/643167958.db2.gz ULBUWIZGDVXPGM-ZDUSSCGKSA-N 1 2 387.267 2.371 20 0 GEADLO CC[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1nc(C)cs1 ZINC000104791434 643194122 /nfs/dbraw/zinc/19/41/22/643194122.db2.gz RXVIAPUNELYVCS-WMLDXEAASA-N 1 2 384.571 2.410 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000537747701 650822982 /nfs/dbraw/zinc/82/29/82/650822982.db2.gz FIZVZQVYYVHVEH-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000537747701 650822985 /nfs/dbraw/zinc/82/29/85/650822985.db2.gz FIZVZQVYYVHVEH-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO CCCS(=O)(=O)CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106829552 643240077 /nfs/dbraw/zinc/24/00/77/643240077.db2.gz LFHOMLAUYLGTAX-UHFFFAOYSA-N 1 2 386.945 2.493 20 0 GEADLO CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000495198224 650823756 /nfs/dbraw/zinc/82/37/56/650823756.db2.gz ZWHWZUOKZOOJMR-ZBFHGGJFSA-N 1 2 385.302 2.132 20 0 GEADLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000495198224 650823758 /nfs/dbraw/zinc/82/37/58/650823758.db2.gz ZWHWZUOKZOOJMR-ZBFHGGJFSA-N 1 2 385.302 2.132 20 0 GEADLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000106864820 643242298 /nfs/dbraw/zinc/24/22/98/643242298.db2.gz QCNTVMDWFWQXIY-DOMZBBRYSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@@H](O)[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000106864820 643242303 /nfs/dbraw/zinc/24/23/03/643242303.db2.gz QCNTVMDWFWQXIY-DOMZBBRYSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000108613178 643278646 /nfs/dbraw/zinc/27/86/46/643278646.db2.gz YKHGWZRJFFSGPH-NXEZZACHSA-N 1 2 385.287 2.030 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1(C)C ZINC000110734987 643319228 /nfs/dbraw/zinc/31/92/28/643319228.db2.gz QRKXBNPXADBAEE-UHFFFAOYSA-N 1 2 382.711 2.212 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1(C)C ZINC000110734987 643319231 /nfs/dbraw/zinc/31/92/31/643319231.db2.gz QRKXBNPXADBAEE-UHFFFAOYSA-N 1 2 382.711 2.212 20 0 GEADLO C[C@H](CSc1ccccc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000110846019 643321093 /nfs/dbraw/zinc/32/10/93/643321093.db2.gz IHACBRBAGUXVPS-OAHLLOKOSA-N 1 2 384.567 2.040 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2cc(Br)cnc2Cl)CC1 ZINC000110920661 643322584 /nfs/dbraw/zinc/32/25/84/643322584.db2.gz DYOQIUYZLKRFAB-UHFFFAOYSA-N 1 2 376.682 2.292 20 0 GEADLO COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000111217173 643329530 /nfs/dbraw/zinc/32/95/30/643329530.db2.gz FWWMUYITYDHFMN-HNNXBMFYSA-N 1 2 389.279 2.388 20 0 GEADLO COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000111217173 643329533 /nfs/dbraw/zinc/32/95/33/643329533.db2.gz FWWMUYITYDHFMN-HNNXBMFYSA-N 1 2 389.279 2.388 20 0 GEADLO Brc1ccccc1-n1nnnc1CN1CCC(n2cc[nH+]c2)CC1 ZINC000111243364 643330883 /nfs/dbraw/zinc/33/08/83/643330883.db2.gz PDUGWBBZTDKCQC-UHFFFAOYSA-N 1 2 388.273 2.458 20 0 GEADLO CCCC[C@H](C(=O)OC)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000112731965 643372134 /nfs/dbraw/zinc/37/21/34/643372134.db2.gz PBBVNODBPOABHX-CYBMUJFWSA-N 1 2 388.452 2.007 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+](C)CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000113518109 643400353 /nfs/dbraw/zinc/40/03/53/643400353.db2.gz VDUNGOOILJOIHQ-WMLDXEAASA-N 1 2 386.945 2.238 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+](C)CCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000113518109 643400358 /nfs/dbraw/zinc/40/03/58/643400358.db2.gz VDUNGOOILJOIHQ-WMLDXEAASA-N 1 2 386.945 2.238 20 0 GEADLO CN(C)C(=O)C(C)(C)[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000114458361 643419443 /nfs/dbraw/zinc/41/94/43/643419443.db2.gz KKGUHMYWYLJJPB-UHFFFAOYSA-N 1 2 381.523 2.170 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)s1)NCCCNc1cccc[nH+]1 ZINC000115161932 643431224 /nfs/dbraw/zinc/43/12/24/643431224.db2.gz IVHPOUAGPHSWOV-UHFFFAOYSA-N 1 2 397.298 2.254 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000115574445 643441983 /nfs/dbraw/zinc/44/19/83/643441983.db2.gz TVFSYBQHHDRGQO-AWEZNQCLSA-N 1 2 387.311 2.148 20 0 GEADLO CC[C@H]1COCC[N@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000115574445 643441988 /nfs/dbraw/zinc/44/19/88/643441988.db2.gz TVFSYBQHHDRGQO-AWEZNQCLSA-N 1 2 387.311 2.148 20 0 GEADLO C[C@H]([C@H](C)N(C)C(=O)NC1CC[NH+](Cc2ccsc2)CC1)S(C)(=O)=O ZINC000115699577 643445403 /nfs/dbraw/zinc/44/54/03/643445403.db2.gz UURCAILGMJFKAU-UONOGXRCSA-N 1 2 387.571 2.176 20 0 GEADLO CCN(C(=O)NC1CC[NH+](Cc2ccsc2)CC1)[C@H](C)CS(C)(=O)=O ZINC000115699342 643445432 /nfs/dbraw/zinc/44/54/32/643445432.db2.gz GNSLKVUTYNJOTE-CQSZACIVSA-N 1 2 387.571 2.177 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC[N@@H+]1CCOC ZINC000117372304 643490005 /nfs/dbraw/zinc/49/00/05/643490005.db2.gz GYCXNGJOFDNWTB-ZDUSSCGKSA-N 1 2 376.906 2.080 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC[N@H+]1CCOC ZINC000117372304 643490011 /nfs/dbraw/zinc/49/00/11/643490011.db2.gz GYCXNGJOFDNWTB-ZDUSSCGKSA-N 1 2 376.906 2.080 20 0 GEADLO CCS(=O)(=O)NCC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000119599343 643560150 /nfs/dbraw/zinc/56/01/50/643560150.db2.gz PYMGTUZDJYPPRS-UHFFFAOYSA-N 1 2 389.930 2.404 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)N(C)CC(C)C)CC2)cs1 ZINC000539779556 650850104 /nfs/dbraw/zinc/85/01/04/650850104.db2.gz WAUIPKAAXGXCKM-UHFFFAOYSA-N 1 2 388.603 2.340 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2csc(Br)c2)C[C@@H]1C ZINC000539781229 650850182 /nfs/dbraw/zinc/85/01/82/650850182.db2.gz SMDVAYMMEIUMNF-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2csc(Br)c2)C[C@@H]1C ZINC000539781229 650850184 /nfs/dbraw/zinc/85/01/84/650850184.db2.gz SMDVAYMMEIUMNF-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO Cc1nnc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)n1C ZINC000120550317 643618022 /nfs/dbraw/zinc/61/80/22/643618022.db2.gz UCFYFJYRJQACJJ-UHFFFAOYSA-N 1 2 393.289 2.132 20 0 GEADLO COC(=O)c1nn(CN2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1Br ZINC000121645139 643637532 /nfs/dbraw/zinc/63/75/32/643637532.db2.gz KVFNEYPXERSJGL-WCQYABFASA-N 1 2 396.289 2.478 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000539950513 650854899 /nfs/dbraw/zinc/85/48/99/650854899.db2.gz IEOOSKQJLKLQBL-VXGBXAGGSA-N 1 2 391.331 2.479 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000539950513 650854902 /nfs/dbraw/zinc/85/49/02/650854902.db2.gz IEOOSKQJLKLQBL-VXGBXAGGSA-N 1 2 391.331 2.479 20 0 GEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000540018743 650856759 /nfs/dbraw/zinc/85/67/59/650856759.db2.gz ZTTKQYMBRXXGEO-WDEREUQCSA-N 1 2 378.270 2.455 20 0 GEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000540018743 650856762 /nfs/dbraw/zinc/85/67/62/650856762.db2.gz ZTTKQYMBRXXGEO-WDEREUQCSA-N 1 2 378.270 2.455 20 0 GEADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000126652203 643739603 /nfs/dbraw/zinc/73/96/03/643739603.db2.gz JNCBCRARFMZOHV-CFMSYZGJSA-N 1 2 381.361 2.168 20 0 GEADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000126652203 643739609 /nfs/dbraw/zinc/73/96/09/643739609.db2.gz JNCBCRARFMZOHV-CFMSYZGJSA-N 1 2 381.361 2.168 20 0 GEADLO C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@H]1CO ZINC000498954803 650869930 /nfs/dbraw/zinc/86/99/30/650869930.db2.gz FGEWYKRJWVZCLY-DOMZBBRYSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@H]1CO ZINC000498954803 650869933 /nfs/dbraw/zinc/86/99/33/650869933.db2.gz FGEWYKRJWVZCLY-DOMZBBRYSA-N 1 2 376.316 2.316 20 0 GEADLO COc1cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)sc1Br ZINC000131036240 643860500 /nfs/dbraw/zinc/86/05/00/643860500.db2.gz NFUAGYDZRUSKJK-UHFFFAOYSA-N 1 2 377.304 2.048 20 0 GEADLO CC(C)c1csc(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000131389260 643871384 /nfs/dbraw/zinc/87/13/84/643871384.db2.gz CJHWYPJQJCJIAO-KRWDZBQOSA-N 1 2 384.571 2.274 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000134298363 643903532 /nfs/dbraw/zinc/90/35/32/643903532.db2.gz RIGCXMUSBCRLRK-PXAZEXFGSA-N 1 2 386.323 2.312 20 0 GEADLO Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CC([NH+](C)C)C2)cc1 ZINC000134916885 643909487 /nfs/dbraw/zinc/90/94/87/643909487.db2.gz FNTJGVYIBQHTNM-UHFFFAOYSA-N 1 2 379.507 2.243 20 0 GEADLO COc1ccccc1OCC[N@H+](C)Cn1cc(I)cn1 ZINC000151411333 643943563 /nfs/dbraw/zinc/94/35/63/643943563.db2.gz HUXMXLWFFYDTGZ-UHFFFAOYSA-N 1 2 387.221 2.465 20 0 GEADLO COc1ccccc1OCC[N@@H+](C)Cn1cc(I)cn1 ZINC000151411333 643943566 /nfs/dbraw/zinc/94/35/66/643943566.db2.gz HUXMXLWFFYDTGZ-UHFFFAOYSA-N 1 2 387.221 2.465 20 0 GEADLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000151603456 643948176 /nfs/dbraw/zinc/94/81/76/643948176.db2.gz SGGUSCHHCNLKFU-UHFFFAOYSA-N 1 2 393.285 2.245 20 0 GEADLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000151603456 643948183 /nfs/dbraw/zinc/94/81/83/643948183.db2.gz SGGUSCHHCNLKFU-UHFFFAOYSA-N 1 2 393.285 2.245 20 0 GEADLO Cc1nc(C2CC[NH+](CC(=O)Nc3ccc(Br)cn3)CC2)no1 ZINC000156847574 644121317 /nfs/dbraw/zinc/12/13/17/644121317.db2.gz NJZHAHAABHBJSR-UHFFFAOYSA-N 1 2 380.246 2.354 20 0 GEADLO CCCC1N=NC(=S)N1CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000158346411 644142700 /nfs/dbraw/zinc/14/27/00/644142700.db2.gz OBQIPAPMMUZXEF-ZDUSSCGKSA-N 1 2 379.555 2.486 20 0 GEADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000158761978 644158800 /nfs/dbraw/zinc/15/88/00/644158800.db2.gz FJEVYCRKBXJIIT-GHMZBOCLSA-N 1 2 382.313 2.166 20 0 GEADLO COc1cc(C[N@@H+]2CCC[C@@H](O)C2)cc(I)c1OC ZINC000158785251 644159422 /nfs/dbraw/zinc/15/94/22/644159422.db2.gz QIPZOWYSBCTXJE-LLVKDONJSA-N 1 2 377.222 2.265 20 0 GEADLO COc1cc(C[N@H+]2CCC[C@@H](O)C2)cc(I)c1OC ZINC000158785251 644159427 /nfs/dbraw/zinc/15/94/27/644159427.db2.gz QIPZOWYSBCTXJE-LLVKDONJSA-N 1 2 377.222 2.265 20 0 GEADLO CC(C)(C)[NH2+]CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000158888540 644165607 /nfs/dbraw/zinc/16/56/07/644165607.db2.gz RVWQYEFCEJRLJR-UHFFFAOYSA-N 1 2 382.511 2.062 20 0 GEADLO O=S(=O)(c1ccc(OCC(F)(F)F)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000500102466 650896596 /nfs/dbraw/zinc/89/65/96/650896596.db2.gz MVFXZWVDGAAXBI-UHFFFAOYSA-N 1 2 378.416 2.487 20 0 GEADLO NC(=O)[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1cccc(Br)c1 ZINC000162051696 644230526 /nfs/dbraw/zinc/23/05/26/644230526.db2.gz LDHZAMAVLZYKII-KRWDZBQOSA-N 1 2 388.265 2.154 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163408269 644254860 /nfs/dbraw/zinc/25/48/60/644254860.db2.gz VWSLFBZGHDSDHF-CQSZACIVSA-N 1 2 384.299 2.121 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163408269 644254866 /nfs/dbraw/zinc/25/48/66/644254866.db2.gz VWSLFBZGHDSDHF-CQSZACIVSA-N 1 2 384.299 2.121 20 0 GEADLO Cc1[nH]c(=O)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1Br ZINC000164293112 644262136 /nfs/dbraw/zinc/26/21/36/644262136.db2.gz PDAWQNTYAQJGNV-LLVKDONJSA-N 1 2 377.242 2.262 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1sccc1Br ZINC000170833763 644290786 /nfs/dbraw/zinc/29/07/86/644290786.db2.gz FLIZBPPHIYEVMH-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1sccc1Br ZINC000170833763 644290790 /nfs/dbraw/zinc/29/07/90/644290790.db2.gz FLIZBPPHIYEVMH-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc(Br)c(F)c1 ZINC000170833693 644290815 /nfs/dbraw/zinc/29/08/15/644290815.db2.gz ZFCIYQCMXZVZHI-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc(Br)c(F)c1 ZINC000170833693 644290819 /nfs/dbraw/zinc/29/08/19/644290819.db2.gz ZFCIYQCMXZVZHI-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+](CCCCCO)CC1 ZINC000171143137 644314466 /nfs/dbraw/zinc/31/44/66/644314466.db2.gz FXPOEBOJCFNQKT-UHFFFAOYSA-N 1 2 381.325 2.462 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000171907110 644334067 /nfs/dbraw/zinc/33/40/67/644334067.db2.gz XDECZCBYOMPZBX-HNNXBMFYSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000171907110 644334072 /nfs/dbraw/zinc/33/40/72/644334072.db2.gz XDECZCBYOMPZBX-HNNXBMFYSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000172474978 644339559 /nfs/dbraw/zinc/33/95/59/644339559.db2.gz YECMWJYCHPBTGK-OAHLLOKOSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000172474978 644339562 /nfs/dbraw/zinc/33/95/62/644339562.db2.gz YECMWJYCHPBTGK-OAHLLOKOSA-N 1 2 390.311 2.437 20 0 GEADLO Cn1ccc([C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)c2ccc(Cl)cc2)n1 ZINC000543626749 650916244 /nfs/dbraw/zinc/91/62/44/650916244.db2.gz KOCZVFZOIIGJEX-NVXWUHKLSA-N 1 2 382.917 2.177 20 0 GEADLO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)[C@H]1CCNC1=O ZINC000543782716 650923855 /nfs/dbraw/zinc/92/38/55/650923855.db2.gz QETUWKJGPKQXOL-AWEZNQCLSA-N 1 2 399.285 2.020 20 0 GEADLO CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000543782716 650923861 /nfs/dbraw/zinc/92/38/61/650923861.db2.gz QETUWKJGPKQXOL-AWEZNQCLSA-N 1 2 399.285 2.020 20 0 GEADLO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000543782721 650923896 /nfs/dbraw/zinc/92/38/96/650923896.db2.gz QETUWKJGPKQXOL-CQSZACIVSA-N 1 2 399.285 2.020 20 0 GEADLO CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000543782721 650923899 /nfs/dbraw/zinc/92/38/99/650923899.db2.gz QETUWKJGPKQXOL-CQSZACIVSA-N 1 2 399.285 2.020 20 0 GEADLO CN(CC[NH2+]Cc1ncc(Br)s1)S(=O)(=O)c1cccs1 ZINC000543875076 650927123 /nfs/dbraw/zinc/92/71/23/650927123.db2.gz HEOFKRZSOHMLDC-UHFFFAOYSA-N 1 2 396.357 2.377 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1cc(C(N)=O)no1 ZINC000544600933 650945372 /nfs/dbraw/zinc/94/53/72/650945372.db2.gz PRVKDASDMJKZGF-UHFFFAOYSA-N 1 2 390.241 2.320 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CC=C(c2cccc(Br)c2)CC1)C(=O)N(C)C ZINC000545172623 650963798 /nfs/dbraw/zinc/96/37/98/650963798.db2.gz ZRXAMORGHGQVMN-ZDUSSCGKSA-N 1 2 394.313 2.131 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CC=C(c2cccc(Br)c2)CC1)C(=O)N(C)C ZINC000545172623 650963801 /nfs/dbraw/zinc/96/38/01/650963801.db2.gz ZRXAMORGHGQVMN-ZDUSSCGKSA-N 1 2 394.313 2.131 20 0 GEADLO Cc1csc([C@@H](C)CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000183183360 644984894 /nfs/dbraw/zinc/98/48/94/644984894.db2.gz XHMSWZHRWYHLTA-SUMWQHHRSA-N 1 2 384.571 2.062 20 0 GEADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000185129690 645035891 /nfs/dbraw/zinc/03/58/91/645035891.db2.gz CMLOPRCYDLCULL-NSHDSACASA-N 1 2 379.404 2.242 20 0 GEADLO Cc1nn(C)cc1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000545411565 650973757 /nfs/dbraw/zinc/97/37/57/650973757.db2.gz XZZLCUXHDFBGGV-UHFFFAOYSA-N 1 2 376.258 2.420 20 0 GEADLO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Br)cc(F)c1O ZINC000186039717 645058184 /nfs/dbraw/zinc/05/81/84/645058184.db2.gz KKALWJZDFYDZFP-HXPJWWMGSA-N 1 2 398.232 2.471 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000545504333 650977375 /nfs/dbraw/zinc/97/73/75/650977375.db2.gz HHLUGSDPJREMMR-XHDPSFHLSA-N 1 2 395.301 2.312 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000545504333 650977378 /nfs/dbraw/zinc/97/73/78/650977378.db2.gz HHLUGSDPJREMMR-XHDPSFHLSA-N 1 2 395.301 2.312 20 0 GEADLO Cc1cc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)sc1Cl ZINC000187914390 645099910 /nfs/dbraw/zinc/09/99/10/645099910.db2.gz YQLBKYYTBZYWIX-CYBMUJFWSA-N 1 2 378.947 2.443 20 0 GEADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)[nH+]1 ZINC000188100981 645107261 /nfs/dbraw/zinc/10/72/61/645107261.db2.gz UXHNWEYOAHNEPS-UHFFFAOYSA-N 1 2 375.603 2.300 20 0 GEADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)[nH+]1 ZINC000188126487 645109419 /nfs/dbraw/zinc/10/94/19/645109419.db2.gz LAIZHOVVVBMGAX-UHFFFAOYSA-N 1 2 375.603 2.300 20 0 GEADLO Cc1cc[nH+]c(NNC(=O)C(=O)Nc2ccccc2I)c1 ZINC000190040866 645147087 /nfs/dbraw/zinc/14/70/87/645147087.db2.gz OAGGSQQIFWXZFR-UHFFFAOYSA-N 1 2 396.188 2.076 20 0 GEADLO Cc1cc[nH+]c(NNC(=O)C(=O)N2CCc3ccc(Br)cc32)c1 ZINC000190048051 645147219 /nfs/dbraw/zinc/14/72/19/645147219.db2.gz VDHLJIRXSKONTN-UHFFFAOYSA-N 1 2 375.226 2.185 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000191993474 645188630 /nfs/dbraw/zinc/18/86/30/645188630.db2.gz APARRUXLYKBKMM-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000191993474 645188636 /nfs/dbraw/zinc/18/86/36/645188636.db2.gz APARRUXLYKBKMM-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO CS(=O)(=O)Cc1noc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192096532 645192643 /nfs/dbraw/zinc/19/26/43/645192643.db2.gz HZEWTWICJJOGND-SWLSCSKDSA-N 1 2 389.836 2.027 20 0 GEADLO COCCC[N@H+](CCOC)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192156941 645197178 /nfs/dbraw/zinc/19/71/78/645197178.db2.gz QKIAUMIZZWOQTO-UHFFFAOYSA-N 1 2 391.237 2.439 20 0 GEADLO COCCC[N@@H+](CCOC)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192156941 645197185 /nfs/dbraw/zinc/19/71/85/645197185.db2.gz QKIAUMIZZWOQTO-UHFFFAOYSA-N 1 2 391.237 2.439 20 0 GEADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cncc(Cl)n1 ZINC000192369449 645201477 /nfs/dbraw/zinc/20/14/77/645201477.db2.gz IEZUAZNDYCRJQZ-UHFFFAOYSA-N 1 2 380.279 2.335 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000192423425 645204428 /nfs/dbraw/zinc/20/44/28/645204428.db2.gz DCEKGGZGDOFSHX-NSHDSACASA-N 1 2 380.247 2.289 20 0 GEADLO O=S(=O)(Cc1ccon1)N1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192604776 645214534 /nfs/dbraw/zinc/21/45/34/645214534.db2.gz VOFQKXJAEDPUEH-UHFFFAOYSA-N 1 2 381.523 2.055 20 0 GEADLO Cc1nc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1I ZINC000192687853 645221388 /nfs/dbraw/zinc/22/13/88/645221388.db2.gz FZRRZXWQNLPOIO-JTQLQIEISA-N 1 2 382.205 2.392 20 0 GEADLO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cn1 ZINC000193310418 645265328 /nfs/dbraw/zinc/26/53/28/645265328.db2.gz SZVSTDXXULWUCM-NSHDSACASA-N 1 2 393.271 2.201 20 0 GEADLO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cc(Br)c(Cl)s3)C2)N1 ZINC000193462380 645275233 /nfs/dbraw/zinc/27/52/33/645275233.db2.gz FWWMSOWSMMIUGW-GFCCVEGCSA-N 1 2 378.679 2.338 20 0 GEADLO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3cc(Br)c(Cl)s3)C2)N1 ZINC000193462380 645275237 /nfs/dbraw/zinc/27/52/37/645275237.db2.gz FWWMSOWSMMIUGW-GFCCVEGCSA-N 1 2 378.679 2.338 20 0 GEADLO Ic1cnc(NCc2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC000546621646 651004723 /nfs/dbraw/zinc/00/47/23/651004723.db2.gz JHTHDZAEKLWQJA-UHFFFAOYSA-N 1 2 391.216 2.938 20 0 GEADLO CNC(=O)CC[N@H+](C)Cc1cc(Br)c(O)c(Br)c1 ZINC000234353128 645406663 /nfs/dbraw/zinc/40/66/63/645406663.db2.gz KOHIOBUZDVRSTA-UHFFFAOYSA-N 1 2 380.080 2.485 20 0 GEADLO CNC(=O)CC[N@@H+](C)Cc1cc(Br)c(O)c(Br)c1 ZINC000234353128 645406666 /nfs/dbraw/zinc/40/66/66/645406666.db2.gz KOHIOBUZDVRSTA-UHFFFAOYSA-N 1 2 380.080 2.485 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)COCC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000245745475 645467580 /nfs/dbraw/zinc/46/75/80/645467580.db2.gz MTTVVJBVGBKDFB-ZFWWWQNUSA-N 1 2 380.794 2.407 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)COCC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000245745475 645467583 /nfs/dbraw/zinc/46/75/83/645467583.db2.gz MTTVVJBVGBKDFB-ZFWWWQNUSA-N 1 2 380.794 2.407 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)CSc2nncs2)c2ccc(Cl)cc2)C1 ZINC000245759889 645468821 /nfs/dbraw/zinc/46/88/21/645468821.db2.gz PUMDLXHKNQQIHA-ZFWWWQNUSA-N 1 2 398.941 2.472 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)CSc2nncs2)c2ccc(Cl)cc2)C1 ZINC000245759889 645468826 /nfs/dbraw/zinc/46/88/26/645468826.db2.gz PUMDLXHKNQQIHA-ZFWWWQNUSA-N 1 2 398.941 2.472 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](Cc2ccc(OC(F)F)cc2)C[C@H]2CCCO2)C1 ZINC000245789806 645469672 /nfs/dbraw/zinc/46/96/72/645469672.db2.gz ARVPRHNQGIILAZ-GOEBONIOSA-N 1 2 375.437 2.456 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccc(OC(F)F)cc2)C[C@H]2CCCO2)C1 ZINC000245789806 645469675 /nfs/dbraw/zinc/46/96/75/645469675.db2.gz ARVPRHNQGIILAZ-GOEBONIOSA-N 1 2 375.437 2.456 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000246373217 645481351 /nfs/dbraw/zinc/48/13/51/645481351.db2.gz GVVAPVKKYVXODC-XJKSGUPXSA-N 1 2 388.295 2.407 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000246373217 645481353 /nfs/dbraw/zinc/48/13/53/645481353.db2.gz GVVAPVKKYVXODC-XJKSGUPXSA-N 1 2 388.295 2.407 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C)c1ccsc1 ZINC000246584918 645485965 /nfs/dbraw/zinc/48/59/65/645485965.db2.gz BHVPURGVMATEBO-IIAWOOMASA-N 1 2 387.571 2.348 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C2CC2)C1 ZINC000247671299 645516091 /nfs/dbraw/zinc/51/60/91/645516091.db2.gz PVWNNDXJJRWCAY-QWHCGFSZSA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C2CC2)C1 ZINC000247671299 645516095 /nfs/dbraw/zinc/51/60/95/645516095.db2.gz PVWNNDXJJRWCAY-QWHCGFSZSA-N 1 2 394.320 2.385 20 0 GEADLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000248553752 645530707 /nfs/dbraw/zinc/53/07/07/645530707.db2.gz HOYRJOBQRWYXQC-HIFRSBDPSA-N 1 2 375.918 2.286 20 0 GEADLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000248553752 645530711 /nfs/dbraw/zinc/53/07/11/645530711.db2.gz HOYRJOBQRWYXQC-HIFRSBDPSA-N 1 2 375.918 2.286 20 0 GEADLO C[NH+]1CCN(CCCCNc2ncnc3cc(F)c(Br)cc32)CC1 ZINC000547282304 651020730 /nfs/dbraw/zinc/02/07/30/651020730.db2.gz WTMMULQKVLLZEK-UHFFFAOYSA-N 1 2 396.308 2.971 20 0 GEADLO Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1Br ZINC000261709181 645595239 /nfs/dbraw/zinc/59/52/39/645595239.db2.gz MHRIAYHWDKRCEK-CQSZACIVSA-N 1 2 396.310 2.488 20 0 GEADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000261922254 645612501 /nfs/dbraw/zinc/61/25/01/645612501.db2.gz BSJVVIJNGMFRNV-JTQLQIEISA-N 1 2 393.271 2.201 20 0 GEADLO CCS(=O)(=O)C[C@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000264994702 645735553 /nfs/dbraw/zinc/73/55/53/645735553.db2.gz XWIOWBBWDBMAHJ-OLZOCXBDSA-N 1 2 388.559 2.320 20 0 GEADLO CCS(=O)(=O)C[C@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000264994702 645735570 /nfs/dbraw/zinc/73/55/70/645735570.db2.gz XWIOWBBWDBMAHJ-OLZOCXBDSA-N 1 2 388.559 2.320 20 0 GEADLO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000265984226 645817024 /nfs/dbraw/zinc/81/70/24/645817024.db2.gz ZTYQYJNWTAJGPU-XJKSGUPXSA-N 1 2 396.329 2.020 20 0 GEADLO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000265984226 645817027 /nfs/dbraw/zinc/81/70/27/645817027.db2.gz ZTYQYJNWTAJGPU-XJKSGUPXSA-N 1 2 396.329 2.020 20 0 GEADLO CC(C)(C)[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(F)(F)F ZINC000547855143 651047912 /nfs/dbraw/zinc/04/79/12/651047912.db2.gz QPGXFOYOGXCHDF-SWLSCSKDSA-N 1 2 383.480 2.471 20 0 GEADLO CN(C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000547857905 651048101 /nfs/dbraw/zinc/04/81/01/651048101.db2.gz URCSLVJHLJYHRQ-WFASDCNBSA-N 1 2 383.901 2.047 20 0 GEADLO CN(C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000547857905 651048106 /nfs/dbraw/zinc/04/81/06/651048106.db2.gz URCSLVJHLJYHRQ-WFASDCNBSA-N 1 2 383.901 2.047 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)c(Cl)c1 ZINC000266566815 645850949 /nfs/dbraw/zinc/85/09/49/645850949.db2.gz ZWEKRWAXHKCWTP-VXGBXAGGSA-N 1 2 377.890 2.259 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)c(Cl)c1 ZINC000266566815 645850951 /nfs/dbraw/zinc/85/09/51/645850951.db2.gz ZWEKRWAXHKCWTP-VXGBXAGGSA-N 1 2 377.890 2.259 20 0 GEADLO C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000267677704 645916774 /nfs/dbraw/zinc/91/67/74/645916774.db2.gz MFAYZIOGTAZHTB-OCCSQVGLSA-N 1 2 375.296 2.248 20 0 GEADLO Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@H](O)C(=O)NC3CC3)CC2)s1 ZINC000548024047 651061340 /nfs/dbraw/zinc/06/13/40/651061340.db2.gz GKHSBDAVJURWMI-ZDUSSCGKSA-N 1 2 377.432 2.322 20 0 GEADLO CSc1nsc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000268647163 645983012 /nfs/dbraw/zinc/98/30/12/645983012.db2.gz SWXWBHOJSPXBKT-CYBMUJFWSA-N 1 2 379.511 2.283 20 0 GEADLO CSc1nsc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000268647163 645983019 /nfs/dbraw/zinc/98/30/19/645983019.db2.gz SWXWBHOJSPXBKT-CYBMUJFWSA-N 1 2 379.511 2.283 20 0 GEADLO COc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1I ZINC000268662008 645985443 /nfs/dbraw/zinc/98/54/43/645985443.db2.gz YOORPTQARBYVHK-JTQLQIEISA-N 1 2 385.205 2.315 20 0 GEADLO C[NH+](C)[C@H]1CCN(c2ccc(NS(=O)(=O)c3cncc(Cl)c3)nc2)C1 ZINC000269920520 646072862 /nfs/dbraw/zinc/07/28/62/646072862.db2.gz ANYULTCBDVLRRO-AWEZNQCLSA-N 1 2 381.889 2.071 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000270504978 646112744 /nfs/dbraw/zinc/11/27/44/646112744.db2.gz QFUOGIYDLAONBY-SCZZXKLOSA-N 1 2 386.271 2.238 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000270504978 646112747 /nfs/dbraw/zinc/11/27/47/646112747.db2.gz QFUOGIYDLAONBY-SCZZXKLOSA-N 1 2 386.271 2.238 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270589443 646123158 /nfs/dbraw/zinc/12/31/58/646123158.db2.gz DVIDPSCDWSZPJD-PSASIEDQSA-N 1 2 378.782 2.428 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270589443 646123161 /nfs/dbraw/zinc/12/31/61/646123161.db2.gz DVIDPSCDWSZPJD-PSASIEDQSA-N 1 2 378.782 2.428 20 0 GEADLO CS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000274126556 646318993 /nfs/dbraw/zinc/31/89/93/646318993.db2.gz OFUDPRKXKXEVKZ-HUUCEWRRSA-N 1 2 385.555 2.104 20 0 GEADLO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)nnn1-c1cccc(Br)c1 ZINC000276730397 646372433 /nfs/dbraw/zinc/37/24/33/646372433.db2.gz FDVKTYZHVYCVDL-QWRGUYRKSA-N 1 2 380.290 2.466 20 0 GEADLO Cc1cc(CS(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)no1 ZINC000277169326 646385354 /nfs/dbraw/zinc/38/53/54/646385354.db2.gz MMGJNPKYSPCHDO-KRWDZBQOSA-N 1 2 381.523 2.020 20 0 GEADLO Cc1cc(CS(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)no1 ZINC000277169326 646385360 /nfs/dbraw/zinc/38/53/60/646385360.db2.gz MMGJNPKYSPCHDO-KRWDZBQOSA-N 1 2 381.523 2.020 20 0 GEADLO Nc1cccc(S(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000277235200 646392166 /nfs/dbraw/zinc/39/21/66/646392166.db2.gz UATBSPAPJFWTQI-QGZVFWFLSA-N 1 2 377.535 2.165 20 0 GEADLO Nc1cccc(S(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000277235200 646392170 /nfs/dbraw/zinc/39/21/70/646392170.db2.gz UATBSPAPJFWTQI-QGZVFWFLSA-N 1 2 377.535 2.165 20 0 GEADLO CN1C(=O)N(CCC[NH+]2CCOCC2)C(=O)[C@H]1c1cccc(Br)c1 ZINC000277391502 646412684 /nfs/dbraw/zinc/41/26/84/646412684.db2.gz NPYMWASYTUYTQF-OAHLLOKOSA-N 1 2 396.285 2.107 20 0 GEADLO Cc1sc(Br)nc1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000277627900 646453964 /nfs/dbraw/zinc/45/39/64/646453964.db2.gz JBZLPWCSWKNFPQ-UHFFFAOYSA-N 1 2 376.320 2.397 20 0 GEADLO CCS(=O)(=O)C1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000277826565 646475897 /nfs/dbraw/zinc/47/58/97/646475897.db2.gz QUPVDGUPXCWLQR-HNNXBMFYSA-N 1 2 376.316 2.382 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000278063195 646488552 /nfs/dbraw/zinc/48/85/52/646488552.db2.gz FPMIJKUDFNHRLJ-GXTWGEPZSA-N 1 2 391.295 2.278 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000278063195 646488556 /nfs/dbraw/zinc/48/85/56/646488556.db2.gz FPMIJKUDFNHRLJ-GXTWGEPZSA-N 1 2 391.295 2.278 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000278257508 646506964 /nfs/dbraw/zinc/50/69/64/646506964.db2.gz HXEOQGVSVNSUPD-ZIAGYGMSSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000278257508 646506968 /nfs/dbraw/zinc/50/69/68/646506968.db2.gz HXEOQGVSVNSUPD-ZIAGYGMSSA-N 1 2 376.266 2.434 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000278841530 646556105 /nfs/dbraw/zinc/55/61/05/646556105.db2.gz JHXYPQNVMKSFCM-BBRMVZONSA-N 1 2 376.881 2.012 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000278841530 646556108 /nfs/dbraw/zinc/55/61/08/646556108.db2.gz JHXYPQNVMKSFCM-BBRMVZONSA-N 1 2 376.881 2.012 20 0 GEADLO C[C@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC000279026383 646572041 /nfs/dbraw/zinc/57/20/41/646572041.db2.gz WGSNJECCMUOIBC-YFKPBYRVSA-N 1 2 378.298 2.201 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCOc1ccccc1I ZINC000279549727 646610096 /nfs/dbraw/zinc/61/00/96/646610096.db2.gz QVBRKMBCUMOYRK-GFCCVEGCSA-N 1 2 399.232 2.462 20 0 GEADLO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Br)cn1 ZINC000279578632 646613170 /nfs/dbraw/zinc/61/31/70/646613170.db2.gz GQRHHBGIFFDGIS-LBPRGKRZSA-N 1 2 385.306 2.315 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)NCCNc1cccc[nH+]1 ZINC000279897623 646637762 /nfs/dbraw/zinc/63/77/62/646637762.db2.gz JCFGRIURPPMEKA-UHFFFAOYSA-N 1 2 381.278 2.232 20 0 GEADLO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)CCn1cc[nH+]c1 ZINC000280282401 646666976 /nfs/dbraw/zinc/66/69/76/646666976.db2.gz SMFYCTUIEDJCGR-UHFFFAOYSA-N 1 2 389.257 2.275 20 0 GEADLO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@]2(CCOC2)O1 ZINC000280585962 646695947 /nfs/dbraw/zinc/69/59/47/646695947.db2.gz TXKUIWXVMWZSAY-KSSFIOAISA-N 1 2 397.313 2.287 20 0 GEADLO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@]2(CCOC2)O1 ZINC000280585962 646695952 /nfs/dbraw/zinc/69/59/52/646695952.db2.gz TXKUIWXVMWZSAY-KSSFIOAISA-N 1 2 397.313 2.287 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c(OC)c1 ZINC000281129827 646748579 /nfs/dbraw/zinc/74/85/79/646748579.db2.gz CVFODIOWEYNZRF-YGRLFVJLSA-N 1 2 385.258 2.397 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c(OC)c1 ZINC000281129827 646748583 /nfs/dbraw/zinc/74/85/83/646748583.db2.gz CVFODIOWEYNZRF-YGRLFVJLSA-N 1 2 385.258 2.397 20 0 GEADLO O=C(NCC[N@@H+]1CCCOCC1)c1cc2sc(N3CCCC3)nc2s1 ZINC000281772037 646797814 /nfs/dbraw/zinc/79/78/14/646797814.db2.gz IENXJYKBRHXWBI-UHFFFAOYSA-N 1 2 380.539 2.410 20 0 GEADLO O=C(NCC[N@H+]1CCCOCC1)c1cc2sc(N3CCCC3)nc2s1 ZINC000281772037 646797816 /nfs/dbraw/zinc/79/78/16/646797816.db2.gz IENXJYKBRHXWBI-UHFFFAOYSA-N 1 2 380.539 2.410 20 0 GEADLO COc1ccc(Cl)cc1CN1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000284089617 646832652 /nfs/dbraw/zinc/83/26/52/646832652.db2.gz LVRURCMBTOCLAS-HNNXBMFYSA-N 1 2 386.945 2.291 20 0 GEADLO CNS(=O)(=O)c1cccc2c1CC[N@H+](C[C@H](O)c1ccccc1Cl)C2 ZINC000284943815 646846730 /nfs/dbraw/zinc/84/67/30/646846730.db2.gz WRVPEXWOFZKJBI-KRWDZBQOSA-N 1 2 380.897 2.340 20 0 GEADLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@H](O)c1ccccc1Cl)C2 ZINC000284943815 646846731 /nfs/dbraw/zinc/84/67/31/646846731.db2.gz WRVPEXWOFZKJBI-KRWDZBQOSA-N 1 2 380.897 2.340 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000285119499 646848952 /nfs/dbraw/zinc/84/89/52/646848952.db2.gz JUVUXOOZVHPGMF-LLVKDONJSA-N 1 2 380.242 2.432 20 0 GEADLO O=C(NCc1ccsc1Br)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000287775713 646897115 /nfs/dbraw/zinc/89/71/15/646897115.db2.gz YFGVFNKQZKCOLQ-NSHDSACASA-N 1 2 397.298 2.256 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000288135082 646909179 /nfs/dbraw/zinc/90/91/79/646909179.db2.gz ZHAXWIXNHQUCRO-XJKSGUPXSA-N 1 2 387.933 2.067 20 0 GEADLO Cn1ncc(Br)c1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000288349925 646915118 /nfs/dbraw/zinc/91/51/18/646915118.db2.gz BYOOKCPTHXXJMF-GFCCVEGCSA-N 1 2 381.274 2.283 20 0 GEADLO CSCC[C@H](NC(N)=O)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000292525435 647197729 /nfs/dbraw/zinc/19/77/29/647197729.db2.gz LLCGORDSQHKRMT-AAEUAGOBSA-N 1 2 385.559 2.104 20 0 GEADLO CSCC[C@H](NC(N)=O)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000292525435 647197734 /nfs/dbraw/zinc/19/77/34/647197734.db2.gz LLCGORDSQHKRMT-AAEUAGOBSA-N 1 2 385.559 2.104 20 0 GEADLO Cc1noc(NC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000296983472 647258516 /nfs/dbraw/zinc/25/85/16/647258516.db2.gz XWCJRFWJXDYSAK-UHFFFAOYSA-N 1 2 379.218 2.461 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000330718659 647348863 /nfs/dbraw/zinc/34/88/63/647348863.db2.gz DTDDRQLRJGBAMG-CHWSQXEVSA-N 1 2 376.906 2.126 20 0 GEADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000331203232 647370016 /nfs/dbraw/zinc/37/00/16/647370016.db2.gz WMVBDCYGSDEDTQ-DABQJJPHSA-N 1 2 376.316 2.457 20 0 GEADLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000331203232 647370024 /nfs/dbraw/zinc/37/00/24/647370024.db2.gz WMVBDCYGSDEDTQ-DABQJJPHSA-N 1 2 376.316 2.457 20 0 GEADLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000331203234 647370216 /nfs/dbraw/zinc/37/02/16/647370216.db2.gz WMVBDCYGSDEDTQ-VXGBXAGGSA-N 1 2 376.316 2.457 20 0 GEADLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)c2ccc3ncsc3c2)C[C@H](C)O1 ZINC000332109429 647412333 /nfs/dbraw/zinc/41/23/33/647412333.db2.gz VFQMOZLFEBLGQQ-BETUJISGSA-N 1 2 383.539 2.462 20 0 GEADLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc3ncsc3c2)C[C@H](C)O1 ZINC000332109429 647412338 /nfs/dbraw/zinc/41/23/38/647412338.db2.gz VFQMOZLFEBLGQQ-BETUJISGSA-N 1 2 383.539 2.462 20 0 GEADLO C[C@@H]1C[NH+](CCCCNS(=O)(=O)c2ccc(Br)o2)C[C@@H](C)O1 ZINC000332558307 647445888 /nfs/dbraw/zinc/44/58/88/647445888.db2.gz PHSOZMNLLOHFEQ-VXGBXAGGSA-N 1 2 395.319 2.210 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)CC[N@@H+]1C[C@@H](C)O ZINC000332628307 647449141 /nfs/dbraw/zinc/44/91/41/647449141.db2.gz YJLRLWPYXOVZQM-TZMCWYRMSA-N 1 2 383.539 2.070 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)CC[N@H+]1C[C@@H](C)O ZINC000332628307 647449144 /nfs/dbraw/zinc/44/91/44/647449144.db2.gz YJLRLWPYXOVZQM-TZMCWYRMSA-N 1 2 383.539 2.070 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)CC[N@@H+]1C[C@H](C)O ZINC000332628297 647449160 /nfs/dbraw/zinc/44/91/60/647449160.db2.gz YJLRLWPYXOVZQM-GXTWGEPZSA-N 1 2 383.539 2.070 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)CC[N@H+]1C[C@H](C)O ZINC000332628297 647449163 /nfs/dbraw/zinc/44/91/63/647449163.db2.gz YJLRLWPYXOVZQM-GXTWGEPZSA-N 1 2 383.539 2.070 20 0 GEADLO CC1(C)CC[N@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CCS1 ZINC000332987637 647457777 /nfs/dbraw/zinc/45/77/77/647457777.db2.gz AIZRAEGDTHTOCL-MRXNPFEDSA-N 1 2 388.599 2.162 20 0 GEADLO CC1(C)CC[N@@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CCS1 ZINC000332987637 647457781 /nfs/dbraw/zinc/45/77/81/647457781.db2.gz AIZRAEGDTHTOCL-MRXNPFEDSA-N 1 2 388.599 2.162 20 0 GEADLO CS(=O)(=O)N1CCC[C@H](Nc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000334025381 647487721 /nfs/dbraw/zinc/48/77/21/647487721.db2.gz GRUWJBNDEZRIBZ-ZDUSSCGKSA-N 1 2 384.299 2.833 20 0 GEADLO COc1cc(Br)ccc1[C@@H](C)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348589163 647494833 /nfs/dbraw/zinc/49/48/33/647494833.db2.gz PKJVBTQBRWBUAM-RNCFNFMXSA-N 1 2 393.241 2.405 20 0 GEADLO COc1cc(Br)ccc1[C@@H](C)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348589163 647494836 /nfs/dbraw/zinc/49/48/36/647494836.db2.gz PKJVBTQBRWBUAM-RNCFNFMXSA-N 1 2 393.241 2.405 20 0 GEADLO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000361166218 647560986 /nfs/dbraw/zinc/56/09/86/647560986.db2.gz AVQXVVOLKJOZQL-GFCCVEGCSA-N 1 2 391.269 2.446 20 0 GEADLO CC(C)Cc1nnc(NC(=O)NC2CC[NH+](Cc3cscn3)CC2)s1 ZINC000363464665 647596177 /nfs/dbraw/zinc/59/61/77/647596177.db2.gz FQGSMGVJYKWICR-UHFFFAOYSA-N 1 2 380.543 2.979 20 0 GEADLO CCn1cc(Br)cc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000363474834 647596843 /nfs/dbraw/zinc/59/68/43/647596843.db2.gz KZMBUHUWAITCNR-UHFFFAOYSA-N 1 2 396.289 2.052 20 0 GEADLO O=S(=O)(NCCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)nc1Cl ZINC000363617982 647603017 /nfs/dbraw/zinc/60/30/17/647603017.db2.gz MDMLFMVSXVJRLK-UHFFFAOYSA-N 1 2 375.281 2.442 20 0 GEADLO O=C(C[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1)NCc1ccc(Cl)s1 ZINC000363656117 647605637 /nfs/dbraw/zinc/60/56/37/647605637.db2.gz XBDLGAJPYPZGLD-UHFFFAOYSA-N 1 2 380.901 2.240 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000363806905 647609293 /nfs/dbraw/zinc/60/92/93/647609293.db2.gz YPIUBZBDIHLNPT-INIZCTEOSA-N 1 2 388.917 2.195 20 0 GEADLO Brc1cccc(-c2c[nH]c(C[N@@H+]3CCN4CCOC[C@@H]4C3)n2)c1 ZINC000363884049 647609795 /nfs/dbraw/zinc/60/97/95/647609795.db2.gz FGXCCRBATOXNDC-HNNXBMFYSA-N 1 2 377.286 2.356 20 0 GEADLO Brc1cccc(-c2c[nH]c(C[N@H+]3CCN4CCOC[C@@H]4C3)n2)c1 ZINC000363884049 647609800 /nfs/dbraw/zinc/60/98/00/647609800.db2.gz FGXCCRBATOXNDC-HNNXBMFYSA-N 1 2 377.286 2.356 20 0 GEADLO C[NH+]1CCN(C[C@H]2CCCN(C(=O)c3cc(Br)ccc3O)C2)CC1 ZINC000365273933 647666223 /nfs/dbraw/zinc/66/62/23/647666223.db2.gz PBKOWGXAKSXDHC-CQSZACIVSA-N 1 2 396.329 2.254 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000365631094 647678296 /nfs/dbraw/zinc/67/82/96/647678296.db2.gz WCBIWWIMUORTMD-ZDUSSCGKSA-N 1 2 381.885 2.497 20 0 GEADLO O=C1CO[C@@H]2CC[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@@H]2N1 ZINC000366784943 647704361 /nfs/dbraw/zinc/70/43/61/647704361.db2.gz FSFCOOWRPSEIIY-UONOGXRCSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@@H]2CC[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@@H]2N1 ZINC000366784943 647704362 /nfs/dbraw/zinc/70/43/62/647704362.db2.gz FSFCOOWRPSEIIY-UONOGXRCSA-N 1 2 392.253 2.193 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c(Cl)cc(F)cc1Cl ZINC000367183411 647721873 /nfs/dbraw/zinc/72/18/73/647721873.db2.gz CJLDUYNTXAEPAW-MNOVXSKESA-N 1 2 383.272 2.274 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1c(Cl)cc(F)cc1Cl ZINC000367183411 647721876 /nfs/dbraw/zinc/72/18/76/647721876.db2.gz CJLDUYNTXAEPAW-MNOVXSKESA-N 1 2 383.272 2.274 20 0 GEADLO CC(C)(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)S(=O)(=O)C1CC1 ZINC000367355435 647731337 /nfs/dbraw/zinc/73/13/37/647731337.db2.gz ZXYDAUYSGDBINW-UHFFFAOYSA-N 1 2 388.599 2.210 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000368081172 647749877 /nfs/dbraw/zinc/74/98/77/647749877.db2.gz BSGXUPMOTBCJEL-UWVGGRQHSA-N 1 2 375.778 2.365 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000368081172 647749879 /nfs/dbraw/zinc/74/98/79/647749879.db2.gz BSGXUPMOTBCJEL-UWVGGRQHSA-N 1 2 375.778 2.365 20 0 GEADLO COc1ccc(Br)c(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000368395464 647755998 /nfs/dbraw/zinc/75/59/98/647755998.db2.gz ZUAIODADOUCAFY-CYBMUJFWSA-N 1 2 384.274 2.442 20 0 GEADLO COc1ccc(Br)c(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000368395464 647756002 /nfs/dbraw/zinc/75/60/02/647756002.db2.gz ZUAIODADOUCAFY-CYBMUJFWSA-N 1 2 384.274 2.442 20 0 GEADLO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)s1 ZINC000371887539 647802209 /nfs/dbraw/zinc/80/22/09/647802209.db2.gz HEYAWRLSWLFKRA-UHFFFAOYSA-N 1 2 376.448 2.209 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000374329283 647821649 /nfs/dbraw/zinc/82/16/49/647821649.db2.gz DUYJMLNSAVXKHT-SNVBAGLBSA-N 1 2 395.232 2.276 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374341991 647822147 /nfs/dbraw/zinc/82/21/47/647822147.db2.gz RMBQVPPUDFWTKJ-GFCCVEGCSA-N 1 2 391.269 2.446 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1Br ZINC000374342326 647822198 /nfs/dbraw/zinc/82/21/98/647822198.db2.gz SSAMWSGVNQUSLH-GFCCVEGCSA-N 1 2 391.269 2.446 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000374338463 647822263 /nfs/dbraw/zinc/82/22/63/647822263.db2.gz DGRITVIMOMPKRH-LLVKDONJSA-N 1 2 377.242 2.137 20 0 GEADLO COc1ccccc1[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)CC[NH2+]1 ZINC000374350529 647822561 /nfs/dbraw/zinc/82/25/61/647822561.db2.gz MFTUJAZRVBYCNF-AWEZNQCLSA-N 1 2 392.253 2.345 20 0 GEADLO COCCc1noc(C[NH+]2CCC(Cn3cc(Br)cn3)CC2)n1 ZINC000374650497 647824269 /nfs/dbraw/zinc/82/42/69/647824269.db2.gz XHCONAVXTVMPIE-UHFFFAOYSA-N 1 2 384.278 2.130 20 0 GEADLO C[NH+](C)CCOc1cc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)ccn1 ZINC000376268693 647840498 /nfs/dbraw/zinc/84/04/98/647840498.db2.gz WHKZRVGZDJKJJN-UHFFFAOYSA-N 1 2 375.479 2.276 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)Nc2cc3ccc(Br)cn3n2)CCO1 ZINC000482115845 647892688 /nfs/dbraw/zinc/89/26/88/647892688.db2.gz WCPYGSQEWKOSOG-UHFFFAOYSA-N 1 2 396.289 2.329 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)Nc2cc3ccc(Br)cn3n2)CCO1 ZINC000482115845 647892691 /nfs/dbraw/zinc/89/26/91/647892691.db2.gz WCPYGSQEWKOSOG-UHFFFAOYSA-N 1 2 396.289 2.329 20 0 GEADLO OC[C@H]1C[N@H+](Cc2cc(Cl)ccc2I)CC[C@@H]1O ZINC000405228675 647909606 /nfs/dbraw/zinc/90/96/06/647909606.db2.gz UWSQOKFEYWSAGE-MFKMUULPSA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2I)CC[C@@H]1O ZINC000405228675 647909608 /nfs/dbraw/zinc/90/96/08/647909608.db2.gz UWSQOKFEYWSAGE-MFKMUULPSA-N 1 2 381.641 2.120 20 0 GEADLO C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)[C@@H](C)C[N@@H+]1C ZINC000408069229 647922380 /nfs/dbraw/zinc/92/23/80/647922380.db2.gz AWQNKFFXFYCWME-KGLIPLIRSA-N 1 2 385.555 2.087 20 0 GEADLO C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)[C@@H](C)C[N@H+]1C ZINC000408069229 647922383 /nfs/dbraw/zinc/92/23/83/647922383.db2.gz AWQNKFFXFYCWME-KGLIPLIRSA-N 1 2 385.555 2.087 20 0 GEADLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000408181254 647933807 /nfs/dbraw/zinc/93/38/07/647933807.db2.gz BBNGLEHNYOZROL-QWHCGFSZSA-N 1 2 386.901 2.359 20 0 GEADLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000408181254 647933819 /nfs/dbraw/zinc/93/38/19/647933819.db2.gz BBNGLEHNYOZROL-QWHCGFSZSA-N 1 2 386.901 2.359 20 0 GEADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000408388754 647950543 /nfs/dbraw/zinc/95/05/43/647950543.db2.gz WRYLWFUFWCXBHI-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000408388754 647950549 /nfs/dbraw/zinc/95/05/49/647950549.db2.gz WRYLWFUFWCXBHI-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@](CO)([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccc(Br)cc1 ZINC000411724143 648034870 /nfs/dbraw/zinc/03/48/70/648034870.db2.gz YJDHUPZRLQGVPG-OAHLLOKOSA-N 1 2 388.283 2.443 20 0 GEADLO C[C@@H](O)CNc1cc(NC[C@H](C)Oc2ccccc2Br)nc[nH+]1 ZINC000413180929 648062246 /nfs/dbraw/zinc/06/22/46/648062246.db2.gz YOBAXYLHXFMHJY-NEPJUHHUSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@@H](O)CNc1cc(NC[C@H](C)Oc2ccccc2Br)[nH+]cn1 ZINC000413180929 648062250 /nfs/dbraw/zinc/06/22/50/648062250.db2.gz YOBAXYLHXFMHJY-NEPJUHHUSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@@H](O)[C@@H]1CCN(c2cc(N(C)Cc3cc(Br)cn3C)nc[nH+]2)C1 ZINC000413189896 648062640 /nfs/dbraw/zinc/06/26/40/648062640.db2.gz JGZCYBZZHQKUBG-CHWSQXEVSA-N 1 2 394.317 2.421 20 0 GEADLO C[C@@H](O)[C@@H]1CCN(c2cc(N(C)Cc3cc(Br)cn3C)[nH+]cn2)C1 ZINC000413189896 648062646 /nfs/dbraw/zinc/06/26/46/648062646.db2.gz JGZCYBZZHQKUBG-CHWSQXEVSA-N 1 2 394.317 2.421 20 0 GEADLO C[C@@H](O)[C@H]1CCN(c2cc(N(C)Cc3cc(Br)cn3C)nc[nH+]2)C1 ZINC000413189897 648062803 /nfs/dbraw/zinc/06/28/03/648062803.db2.gz JGZCYBZZHQKUBG-OLZOCXBDSA-N 1 2 394.317 2.421 20 0 GEADLO C[C@@H](O)[C@H]1CCN(c2cc(N(C)Cc3cc(Br)cn3C)[nH+]cn2)C1 ZINC000413189897 648062807 /nfs/dbraw/zinc/06/28/07/648062807.db2.gz JGZCYBZZHQKUBG-OLZOCXBDSA-N 1 2 394.317 2.421 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000416537863 648165038 /nfs/dbraw/zinc/16/50/38/648165038.db2.gz VGFXRBBCGQUDNR-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO Cc1nc(N(C)C)nc(NCCOc2ccc(I)cc2)[nH+]1 ZINC000509887431 648303283 /nfs/dbraw/zinc/30/32/83/648303283.db2.gz RFFURSNDGZRQKP-UHFFFAOYSA-N 1 2 399.236 2.342 20 0 GEADLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000420679204 648433931 /nfs/dbraw/zinc/43/39/31/648433931.db2.gz UOQMONSQTGIZDI-UHFFFAOYSA-N 1 2 398.859 2.019 20 0 GEADLO CC(=O)N[C@@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000421641863 648501713 /nfs/dbraw/zinc/50/17/13/648501713.db2.gz WDXXIIIDKCVZNC-IAGOWNOFSA-N 1 2 394.313 2.323 20 0 GEADLO COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000427059314 648721784 /nfs/dbraw/zinc/72/17/84/648721784.db2.gz LOWHTXHUBKBOER-SECBINFHSA-N 1 2 383.235 2.268 20 0 GEADLO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000427062546 648721872 /nfs/dbraw/zinc/72/18/72/648721872.db2.gz SMFZZDFMGDIHCJ-GFCCVEGCSA-N 1 2 377.242 2.024 20 0 GEADLO CC(C)([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc(C(F)(F)F)on1 ZINC000429252930 648747996 /nfs/dbraw/zinc/74/79/96/648747996.db2.gz IWJGXSGKLRLIMQ-UHFFFAOYSA-N 1 2 377.388 2.497 20 0 GEADLO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436852542 648796505 /nfs/dbraw/zinc/79/65/05/648796505.db2.gz AIBARCYSYWIAST-UHFFFAOYSA-N 1 2 389.265 2.259 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c(Cl)c1 ZINC000441391125 648826786 /nfs/dbraw/zinc/82/67/86/648826786.db2.gz ZMVQWQDZGFLQIL-LBPRGKRZSA-N 1 2 389.901 2.403 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c(Cl)c1 ZINC000441391125 648826788 /nfs/dbraw/zinc/82/67/88/648826788.db2.gz ZMVQWQDZGFLQIL-LBPRGKRZSA-N 1 2 389.901 2.403 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c(Cl)c1 ZINC000441391123 648826889 /nfs/dbraw/zinc/82/68/89/648826889.db2.gz ZMVQWQDZGFLQIL-GFCCVEGCSA-N 1 2 389.901 2.403 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)c(Cl)c1 ZINC000441391123 648826890 /nfs/dbraw/zinc/82/68/90/648826890.db2.gz ZMVQWQDZGFLQIL-GFCCVEGCSA-N 1 2 389.901 2.403 20 0 GEADLO COc1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cn1 ZINC000442601105 648844792 /nfs/dbraw/zinc/84/47/92/648844792.db2.gz INAHSMGLOOIXOI-UHFFFAOYSA-N 1 2 379.507 2.440 20 0 GEADLO CCS(=O)(=O)NCCCNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443520769 648880697 /nfs/dbraw/zinc/88/06/97/648880697.db2.gz SMQVWCKTBCUGPD-UHFFFAOYSA-N 1 2 390.278 2.300 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c(Cl)c1Cl ZINC000548295307 651076219 /nfs/dbraw/zinc/07/62/19/651076219.db2.gz BQRSUWNBUXRYOL-VIFPVBQESA-N 1 2 376.265 2.492 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548608686 651082004 /nfs/dbraw/zinc/08/20/04/651082004.db2.gz RYJAQBKKNURZOC-CYBMUJFWSA-N 1 2 379.258 2.468 20 0 GEADLO CC[C@@H]1CN(CCCC[N@@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@]1=O ZINC000552017685 651138201 /nfs/dbraw/zinc/13/82/01/651138201.db2.gz VEVCWZUPFARRPR-MVFCUBCPSA-N 1 2 376.632 2.229 20 0 GEADLO CC[C@@H]1CN(CCCC[N@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@]1=O ZINC000552017685 651138202 /nfs/dbraw/zinc/13/82/02/651138202.db2.gz VEVCWZUPFARRPR-MVFCUBCPSA-N 1 2 376.632 2.229 20 0 GEADLO CC[C@@H]1CN(CCCC[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@]1=O ZINC000552017685 651138203 /nfs/dbraw/zinc/13/82/03/651138203.db2.gz VEVCWZUPFARRPR-MVFCUBCPSA-N 1 2 376.632 2.229 20 0 GEADLO CC[C@@H]1CN(CCCC[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@]1=O ZINC000552017685 651138204 /nfs/dbraw/zinc/13/82/04/651138204.db2.gz VEVCWZUPFARRPR-MVFCUBCPSA-N 1 2 376.632 2.229 20 0 GEADLO O=C(c1cscc1Br)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000552104499 651140454 /nfs/dbraw/zinc/14/04/54/651140454.db2.gz KDVQPNSMCPRTSQ-GFCCVEGCSA-N 1 2 389.315 2.074 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(Br)cs1)C2 ZINC000552148625 651141928 /nfs/dbraw/zinc/14/19/28/651141928.db2.gz WSXOBIUXNVPYKZ-NSHDSACASA-N 1 2 384.299 2.295 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cscc2Br)C[C@@H]1C ZINC000552393561 651148214 /nfs/dbraw/zinc/14/82/14/651148214.db2.gz ALPWUWSCWAOINK-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cscc2Br)C[C@@H]1C ZINC000552393561 651148215 /nfs/dbraw/zinc/14/82/15/651148215.db2.gz ALPWUWSCWAOINK-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](CC[S@@](=O)c1ccccc1)C2 ZINC000552528429 651151854 /nfs/dbraw/zinc/15/18/54/651151854.db2.gz TZQNAMFYGUUNSW-XMMPIXPASA-N 1 2 378.519 2.224 20 0 GEADLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](CC[S@@](=O)c1ccccc1)C2 ZINC000552528429 651151856 /nfs/dbraw/zinc/15/18/56/651151856.db2.gz TZQNAMFYGUUNSW-XMMPIXPASA-N 1 2 378.519 2.224 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1cc(F)c(F)cc1Br ZINC000553658879 651184627 /nfs/dbraw/zinc/18/46/27/651184627.db2.gz YJOUDVNRRNIRER-SNVBAGLBSA-N 1 2 392.244 2.247 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1cc(F)c(F)cc1Br ZINC000553658879 651184628 /nfs/dbraw/zinc/18/46/28/651184628.db2.gz YJOUDVNRRNIRER-SNVBAGLBSA-N 1 2 392.244 2.247 20 0 GEADLO O=S(=O)(c1cccc2c1OCO2)N1CC[NH+](CCc2cccs2)CC1 ZINC000554706311 651211158 /nfs/dbraw/zinc/21/11/58/651211158.db2.gz MEJCINWZUHMWOG-UHFFFAOYSA-N 1 2 380.491 2.026 20 0 GEADLO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000555417800 651225123 /nfs/dbraw/zinc/22/51/23/651225123.db2.gz NZYMEWMGGCVLEA-NSHDSACASA-N 1 2 375.281 2.241 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000556135975 651237019 /nfs/dbraw/zinc/23/70/19/651237019.db2.gz WEYGFFVHUPFANX-NSHDSACASA-N 1 2 381.263 2.359 20 0 GEADLO COC(=O)c1ccc(Br)cc1CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000558741728 651283972 /nfs/dbraw/zinc/28/39/72/651283972.db2.gz KJEZQJODHWVUCE-CYBMUJFWSA-N 1 2 385.302 2.388 20 0 GEADLO CC1=CC[N@H+](CCNc2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000558941580 651288574 /nfs/dbraw/zinc/28/85/74/651288574.db2.gz SYANVQMCQCGSAT-UHFFFAOYSA-N 1 2 390.285 2.454 20 0 GEADLO CC1=CC[N@@H+](CCNc2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000558941580 651288577 /nfs/dbraw/zinc/28/85/77/651288577.db2.gz SYANVQMCQCGSAT-UHFFFAOYSA-N 1 2 390.285 2.454 20 0 GEADLO O=C(c1cc2cc(Cl)sc2[nH]1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000558944344 651288643 /nfs/dbraw/zinc/28/86/43/651288643.db2.gz LSIDYSRZHMLSIT-ZDUSSCGKSA-N 1 2 383.901 2.446 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)COc2ccsc2Cl)CC1 ZINC000560220914 651305215 /nfs/dbraw/zinc/30/52/15/651305215.db2.gz RPUCBCIQIWKGBO-UHFFFAOYSA-N 1 2 387.933 2.183 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)COc2ccsc2Cl)CC1 ZINC000560220914 651305217 /nfs/dbraw/zinc/30/52/17/651305217.db2.gz RPUCBCIQIWKGBO-UHFFFAOYSA-N 1 2 387.933 2.183 20 0 GEADLO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000560641087 651313165 /nfs/dbraw/zinc/31/31/65/651313165.db2.gz QSIXLNBLIMIOIT-AWEZNQCLSA-N 1 2 381.885 2.222 20 0 GEADLO COc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1Br ZINC000560746898 651314216 /nfs/dbraw/zinc/31/42/16/651314216.db2.gz RMEZXCVUQJDDFK-GXTWGEPZSA-N 1 2 383.286 2.393 20 0 GEADLO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000560896902 651471915 /nfs/dbraw/zinc/47/19/15/651471915.db2.gz VUJKETKRFFRTSA-NZVBXONLSA-N 1 2 381.274 2.403 20 0 GEADLO Cc1nc2ccc(NCCc3cn4cc(Br)cc(C)c4[nH+]3)nn2n1 ZINC000561266288 651477385 /nfs/dbraw/zinc/47/73/85/651477385.db2.gz NFILHDHVHSENQL-UHFFFAOYSA-N 1 2 386.257 2.806 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NC2(c3ccc(Br)cc3)CC2)CCO1 ZINC000726253655 651488405 /nfs/dbraw/zinc/48/84/05/651488405.db2.gz DZXSHQHTGDNDEL-ZDUSSCGKSA-N 1 2 382.302 2.458 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NC2(c3ccc(Br)cc3)CC2)CCO1 ZINC000726253655 651488406 /nfs/dbraw/zinc/48/84/06/651488406.db2.gz DZXSHQHTGDNDEL-ZDUSSCGKSA-N 1 2 382.302 2.458 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCCc2cc(Br)ccc2F)CCO1 ZINC000726261127 651488771 /nfs/dbraw/zinc/48/87/71/651488771.db2.gz ZVRNIVIDZHUZPL-LBPRGKRZSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCc2cc(Br)ccc2F)CCO1 ZINC000726261127 651488775 /nfs/dbraw/zinc/48/87/75/651488775.db2.gz ZVRNIVIDZHUZPL-LBPRGKRZSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@H]1C[N@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC[S@@](=O)C1 ZINC000562426486 651495307 /nfs/dbraw/zinc/49/53/07/651495307.db2.gz MBGDEVONFWNNDA-UOXLDJKESA-N 1 2 378.567 2.395 20 0 GEADLO C[C@H]1C[N@@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC[S@@](=O)C1 ZINC000562426486 651495309 /nfs/dbraw/zinc/49/53/09/651495309.db2.gz MBGDEVONFWNNDA-UOXLDJKESA-N 1 2 378.567 2.395 20 0 GEADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000603883573 651501144 /nfs/dbraw/zinc/50/11/44/651501144.db2.gz FIRIBOBKLCZMHW-ZDUSSCGKSA-N 1 2 376.463 2.188 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000604034748 651507488 /nfs/dbraw/zinc/50/74/88/651507488.db2.gz GDDUGVHJTIYHET-AWEZNQCLSA-N 1 2 392.301 2.336 20 0 GEADLO CCc1ccc(S(=O)(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)s1 ZINC000563227001 651518012 /nfs/dbraw/zinc/51/80/12/651518012.db2.gz RVOBTMATBXIWQF-UHFFFAOYSA-N 1 2 379.511 2.132 20 0 GEADLO O=C(Cc1noc2ccc(Br)cc12)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000644718348 651564833 /nfs/dbraw/zinc/56/48/33/651564833.db2.gz SYIVTCZSTCWVQT-LLVKDONJSA-N 1 2 375.226 2.461 20 0 GEADLO O=C(NCCn1cc[nH+]c1)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000729582236 651572108 /nfs/dbraw/zinc/57/21/08/651572108.db2.gz WWZNFUSBQYVBGD-AWEZNQCLSA-N 1 2 376.766 2.286 20 0 GEADLO Cn1cc[nH+]c1C[C@@H](NC(=O)Cn1cc(Br)cn1)c1ccccc1 ZINC000608207725 651589418 /nfs/dbraw/zinc/58/94/18/651589418.db2.gz JDTWGXIHUHKSMD-OAHLLOKOSA-N 1 2 388.269 2.479 20 0 GEADLO COc1ncc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1Br ZINC000565653598 651596024 /nfs/dbraw/zinc/59/60/24/651596024.db2.gz FVCUCUGOWLTONT-CQSZACIVSA-N 1 2 377.242 2.034 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000609134666 651611001 /nfs/dbraw/zinc/61/10/01/651611001.db2.gz FWGLNSDYNFEQRV-CYBMUJFWSA-N 1 2 383.857 2.349 20 0 GEADLO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000731006659 651616054 /nfs/dbraw/zinc/61/60/54/651616054.db2.gz QEXPKKWTLCFWAU-SNVBAGLBSA-N 1 2 375.422 2.418 20 0 GEADLO Cc1ccc(SCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C)c1 ZINC000731648615 651630398 /nfs/dbraw/zinc/63/03/98/651630398.db2.gz PERGVNZVIKVRRJ-UHFFFAOYSA-N 1 2 384.567 2.021 20 0 GEADLO COC(=O)C[N@H+](CCc1ccc(Cl)cc1Cl)C[C@@H](O)Cn1cccn1 ZINC000609895544 651635306 /nfs/dbraw/zinc/63/53/06/651635306.db2.gz XJUKOVRBMVGOOO-OAHLLOKOSA-N 1 2 386.279 2.269 20 0 GEADLO COC(=O)C[N@@H+](CCc1ccc(Cl)cc1Cl)C[C@@H](O)Cn1cccn1 ZINC000609895544 651635310 /nfs/dbraw/zinc/63/53/10/651635310.db2.gz XJUKOVRBMVGOOO-OAHLLOKOSA-N 1 2 386.279 2.269 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccccc1Br)[C@H]1CCc2c[nH+]cn2C1 ZINC000568094554 651650955 /nfs/dbraw/zinc/65/09/55/651650955.db2.gz JCENEXRPXNZNRU-ZFWWWQNUSA-N 1 2 392.297 2.175 20 0 GEADLO CC(C)(CO)[NH+]1CCN(CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000610481246 651663414 /nfs/dbraw/zinc/66/34/14/651663414.db2.gz UJYZBHLJRJNFJW-QHCPKHFHSA-N 1 2 379.353 2.490 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000568558166 651672110 /nfs/dbraw/zinc/67/21/10/651672110.db2.gz NJKLJWPKDJMQJA-MRXNPFEDSA-N 1 2 390.933 2.062 20 0 GEADLO O=S(=O)(/C=C/c1ccccc1Br)NCC[NH+]1CCSCC1 ZINC000732815972 651676503 /nfs/dbraw/zinc/67/65/03/651676503.db2.gz YXXYODOKHNXJBN-LFYBBSHMSA-N 1 2 391.356 2.388 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)OC)C[C@@H]1C ZINC000611083654 651705562 /nfs/dbraw/zinc/70/55/62/651705562.db2.gz RIIVIBOAHLAFCH-LBPRGKRZSA-N 1 2 382.507 2.403 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)OC)C[C@@H]1C ZINC000611083654 651705569 /nfs/dbraw/zinc/70/55/69/651705569.db2.gz RIIVIBOAHLAFCH-LBPRGKRZSA-N 1 2 382.507 2.403 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C[C@H]1C ZINC000611087845 651705707 /nfs/dbraw/zinc/70/57/07/651705707.db2.gz NVTLPNXWCXVWFK-SNVBAGLBSA-N 1 2 398.248 2.334 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C[C@H]1C ZINC000611087845 651705711 /nfs/dbraw/zinc/70/57/11/651705711.db2.gz NVTLPNXWCXVWFK-SNVBAGLBSA-N 1 2 398.248 2.334 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000733872627 651726340 /nfs/dbraw/zinc/72/63/40/651726340.db2.gz YFLNOJGTAAPHNC-UHFFFAOYSA-N 1 2 378.841 2.490 20 0 GEADLO COc1ncncc1C[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000647206901 651736090 /nfs/dbraw/zinc/73/60/90/651736090.db2.gz LELVKLXCDCHDFC-UHFFFAOYSA-N 1 2 375.372 2.197 20 0 GEADLO CCOc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cn1 ZINC000647289507 651741812 /nfs/dbraw/zinc/74/18/12/651741812.db2.gz XONQMWPTYAREHW-MRXNPFEDSA-N 1 2 381.885 2.469 20 0 GEADLO CC[C@@H](NC(=S)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1cccs1 ZINC000734380101 651743930 /nfs/dbraw/zinc/74/39/30/651743930.db2.gz KWEMSZIPQHDGJH-CQSZACIVSA-N 1 2 389.612 2.172 20 0 GEADLO O=C(NCCc1ccc(Br)cc1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000570376413 651763643 /nfs/dbraw/zinc/76/36/43/651763643.db2.gz WFDZLWVKYOUJGL-IYBDPMFKSA-N 1 2 382.302 2.154 20 0 GEADLO O=C(NCCc1ccc(Br)cc1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000570376413 651763648 /nfs/dbraw/zinc/76/36/48/651763648.db2.gz WFDZLWVKYOUJGL-IYBDPMFKSA-N 1 2 382.302 2.154 20 0 GEADLO Cc1nn(C)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1Br ZINC000647984206 651768078 /nfs/dbraw/zinc/76/80/78/651768078.db2.gz MXJOVYNSAXPMJN-LLVKDONJSA-N 1 2 379.262 2.286 20 0 GEADLO C[C@@H](CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)n1cc(Br)cn1 ZINC000648335163 651779448 /nfs/dbraw/zinc/77/94/48/651779448.db2.gz IXUCINIXIUKENI-GXTWGEPZSA-N 1 2 378.274 2.387 20 0 GEADLO C[C@@H]1CSCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000570717216 651786000 /nfs/dbraw/zinc/78/60/00/651786000.db2.gz UNGCAASJPAQBQL-DAXOMENPSA-N 1 2 381.929 2.165 20 0 GEADLO C[C@@H]1CSCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000570717216 651786002 /nfs/dbraw/zinc/78/60/02/651786002.db2.gz UNGCAASJPAQBQL-DAXOMENPSA-N 1 2 381.929 2.165 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000735626867 651789090 /nfs/dbraw/zinc/78/90/90/651789090.db2.gz JJZZHHDGHNAWBN-NSHDSACASA-N 1 2 378.876 2.474 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000735626867 651789095 /nfs/dbraw/zinc/78/90/95/651789095.db2.gz JJZZHHDGHNAWBN-NSHDSACASA-N 1 2 378.876 2.474 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC000570849004 651795331 /nfs/dbraw/zinc/79/53/31/651795331.db2.gz OKNUEGZQWBFKTQ-CYBMUJFWSA-N 1 2 384.527 2.243 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000613993144 651807028 /nfs/dbraw/zinc/80/70/28/651807028.db2.gz CJDOZVAULDCKTF-FVQBIDKESA-N 1 2 392.297 2.254 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000613992803 651807108 /nfs/dbraw/zinc/80/71/08/651807108.db2.gz AEMIUMGMCJCKLT-NUEKZKHPSA-N 1 2 392.297 2.254 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000571284357 651823265 /nfs/dbraw/zinc/82/32/65/651823265.db2.gz SUJWJEAUYGCJDQ-LBPRGKRZSA-N 1 2 385.686 2.425 20 0 GEADLO O=C(c1cccc(Br)c1O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614437220 651827226 /nfs/dbraw/zinc/82/72/26/651827226.db2.gz DAIBUJFJYXMRMD-CYBMUJFWSA-N 1 2 383.286 2.482 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2nc3ccccc3s2)CC1 ZINC000571463349 651833877 /nfs/dbraw/zinc/83/38/77/651833877.db2.gz DEZOOAVRSVSJLU-CYBMUJFWSA-N 1 2 381.523 2.170 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2nc3ccccc3s2)CC1 ZINC000571463349 651833879 /nfs/dbraw/zinc/83/38/79/651833879.db2.gz DEZOOAVRSVSJLU-CYBMUJFWSA-N 1 2 381.523 2.170 20 0 GEADLO Cc1cc(Br)cn2cc(CCN3C(=O)N[C@@H](CCF)C3=O)[nH+]c12 ZINC000650264457 651852382 /nfs/dbraw/zinc/85/23/82/651852382.db2.gz IOIXFSNXRAQAGK-LBPRGKRZSA-N 1 2 383.221 2.228 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N(C)[C@@H](C)CCO)[nH+]c12 ZINC000651028514 651869970 /nfs/dbraw/zinc/86/99/70/651869970.db2.gz QMTUABWNZXMGFO-LBPRGKRZSA-N 1 2 383.290 2.360 20 0 GEADLO CS(=O)(=O)Nc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000651066757 651871413 /nfs/dbraw/zinc/87/14/13/651871413.db2.gz AHHDPZJQXMIQFW-UHFFFAOYSA-N 1 2 382.873 2.426 20 0 GEADLO O=C(Nc1cc(I)ccc1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615772166 651875669 /nfs/dbraw/zinc/87/56/69/651875669.db2.gz NBNOCOKEKGAARN-SECBINFHSA-N 1 2 383.189 2.394 20 0 GEADLO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000572264949 651881852 /nfs/dbraw/zinc/88/18/52/651881852.db2.gz KQOXYOZZBABNGC-QKPAOTATSA-N 1 2 384.567 2.240 20 0 GEADLO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000572264949 651881858 /nfs/dbraw/zinc/88/18/58/651881858.db2.gz KQOXYOZZBABNGC-QKPAOTATSA-N 1 2 384.567 2.240 20 0 GEADLO O=C1C(=O)N(CN2CCC[C@H](n3cc[nH+]c3)C2)c2cccc(Br)c21 ZINC000738148564 651882284 /nfs/dbraw/zinc/88/22/84/651882284.db2.gz LYHDBTRTMCIPSY-LBPRGKRZSA-N 1 2 389.253 2.470 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651612135 651889718 /nfs/dbraw/zinc/88/97/18/651889718.db2.gz BHNYGBMFKCKGOC-UHFFFAOYSA-N 1 2 378.897 2.458 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccccc2OC(F)F)C(C)(C)C1 ZINC000651900827 651899830 /nfs/dbraw/zinc/89/98/30/651899830.db2.gz LCGUFAUSKLDGQJ-UHFFFAOYSA-N 1 2 378.441 2.019 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2ccccc2OC(F)F)C(C)(C)C1 ZINC000651900827 651899832 /nfs/dbraw/zinc/89/98/32/651899832.db2.gz LCGUFAUSKLDGQJ-UHFFFAOYSA-N 1 2 378.441 2.019 20 0 GEADLO C[C@](CO)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000616829870 651912136 /nfs/dbraw/zinc/91/21/36/651912136.db2.gz VTAKNENKFBOUAD-SJKOYZFVSA-N 1 2 378.270 2.232 20 0 GEADLO C[C@](CO)(NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000616832643 651913858 /nfs/dbraw/zinc/91/38/58/651913858.db2.gz VLTBMYGSLMRKQR-YVEFUNNKSA-N 1 2 378.270 2.232 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000653001205 651931829 /nfs/dbraw/zinc/93/18/29/651931829.db2.gz HHIVBAADTZTYHQ-UHFFFAOYSA-N 1 2 391.295 2.179 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000653000093 651932049 /nfs/dbraw/zinc/93/20/49/651932049.db2.gz UHNROZQCMGIQHZ-UHFFFAOYSA-N 1 2 389.265 2.009 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CCO1 ZINC000741085310 651934770 /nfs/dbraw/zinc/93/47/70/651934770.db2.gz ORDBAXCVNDWCLK-RISCZKNCSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CCO1 ZINC000741085310 651934775 /nfs/dbraw/zinc/93/47/75/651934775.db2.gz ORDBAXCVNDWCLK-RISCZKNCSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000741086702 651935405 /nfs/dbraw/zinc/93/54/05/651935405.db2.gz LENDHLAATNQIPA-SMDDNHRTSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000741086702 651935410 /nfs/dbraw/zinc/93/54/10/651935410.db2.gz LENDHLAATNQIPA-SMDDNHRTSA-N 1 2 376.284 2.047 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000741739579 651957302 /nfs/dbraw/zinc/95/73/02/651957302.db2.gz CTIZFLYMSMFNTF-UHFFFAOYSA-N 1 2 378.841 2.490 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc(Br)cc(N(C)C)c2)[C@@H](C)CO1 ZINC000617722770 651966937 /nfs/dbraw/zinc/96/69/37/651966937.db2.gz DQYMHYMLEYJKCD-STQMWFEESA-N 1 2 384.318 2.354 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc(N(C)C)c2)[C@@H](C)CO1 ZINC000617722770 651966944 /nfs/dbraw/zinc/96/69/44/651966944.db2.gz DQYMHYMLEYJKCD-STQMWFEESA-N 1 2 384.318 2.354 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000617722692 651967404 /nfs/dbraw/zinc/96/74/04/651967404.db2.gz CUHMYZNKEVLEOF-OLZOCXBDSA-N 1 2 382.302 2.101 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000617722692 651967411 /nfs/dbraw/zinc/96/74/11/651967411.db2.gz CUHMYZNKEVLEOF-OLZOCXBDSA-N 1 2 382.302 2.101 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2c[nH]c3ncc(Br)cc23)[C@@H](C)CO1 ZINC000617724079 651967424 /nfs/dbraw/zinc/96/74/24/651967424.db2.gz VLXMNINENYBULD-QWRGUYRKSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2c[nH]c3ncc(Br)cc23)[C@@H](C)CO1 ZINC000617724079 651967428 /nfs/dbraw/zinc/96/74/28/651967428.db2.gz VLXMNINENYBULD-QWRGUYRKSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@@H]1CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000742198141 651968091 /nfs/dbraw/zinc/96/80/91/651968091.db2.gz ZPNFYLQILMVNCC-MCMMXHMISA-N 1 2 387.343 2.499 20 0 GEADLO C[C@@H]1CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000742198141 651968108 /nfs/dbraw/zinc/96/81/08/651968108.db2.gz ZPNFYLQILMVNCC-MCMMXHMISA-N 1 2 387.343 2.499 20 0 GEADLO COc1ccc(Br)cc1CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617734052 651968702 /nfs/dbraw/zinc/96/87/02/651968702.db2.gz ZNFMUZJSZZFYMT-QWHCGFSZSA-N 1 2 385.302 2.226 20 0 GEADLO COc1ccc(Br)cc1CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617734052 651968708 /nfs/dbraw/zinc/96/87/08/651968708.db2.gz ZNFMUZJSZZFYMT-QWHCGFSZSA-N 1 2 385.302 2.226 20 0 GEADLO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000573756769 651978346 /nfs/dbraw/zinc/97/83/46/651978346.db2.gz KESVFMCTDICKNF-CYBMUJFWSA-N 1 2 381.885 2.079 20 0 GEADLO CC1CC[NH+]([C@@H](CNC(=O)C[C@@H]2SC(=N)NC2=O)c2cccs2)CC1 ZINC000742482191 651989801 /nfs/dbraw/zinc/98/98/01/651989801.db2.gz CXJZQBWSKAZQGP-JSGCOSHPSA-N 1 2 380.539 2.194 20 0 GEADLO N=C1NC(=O)[C@H](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)S1 ZINC000742481720 651990110 /nfs/dbraw/zinc/99/01/10/651990110.db2.gz ANPXJUZLAUAVES-KGLIPLIRSA-N 1 2 380.901 2.150 20 0 GEADLO N=C1NC(=O)C(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)S1 ZINC000742481720 651990114 /nfs/dbraw/zinc/99/01/14/651990114.db2.gz ANPXJUZLAUAVES-KGLIPLIRSA-N 1 2 380.901 2.150 20 0 GEADLO CCc1ccc(-c2csc(NC(=O)C(=O)NCc3c[nH+]cn3C)n2)s1 ZINC000574211623 652008556 /nfs/dbraw/zinc/00/85/56/652008556.db2.gz ZBTDIIJUPPNZKB-UHFFFAOYSA-N 1 2 375.479 2.422 20 0 GEADLO COc1ccc(C[C@H](CO)CNc2nc[nH+]c(N)c2OC)cc1Br ZINC000656197287 652025527 /nfs/dbraw/zinc/02/55/27/652025527.db2.gz XKODNJRJJFMSTP-NSHDSACASA-N 1 2 397.273 2.102 20 0 GEADLO COc1ccc(C[C@H](CO)CNc2[nH+]cnc(N)c2OC)cc1Br ZINC000656197287 652025532 /nfs/dbraw/zinc/02/55/32/652025532.db2.gz XKODNJRJJFMSTP-NSHDSACASA-N 1 2 397.273 2.102 20 0 GEADLO O=C(N[C@@H](CCO)c1ccccc1Br)[C@@H]1CCn2cc[nH+]c2C1 ZINC000574715626 652038117 /nfs/dbraw/zinc/03/81/17/652038117.db2.gz GHHCLMJWEMWDGQ-DOMZBBRYSA-N 1 2 378.270 2.448 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656734690 652054265 /nfs/dbraw/zinc/05/42/65/652054265.db2.gz GTMMCRPIAZSPJT-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO O=C1N[C@@H](c2ccccc2Br)C(=O)N1[C@H]1CCn2cc[nH+]c2C1 ZINC000656812675 652055724 /nfs/dbraw/zinc/05/57/24/652055724.db2.gz RHOLSGCHYZAZGU-HZMBPMFUSA-N 1 2 375.226 2.254 20 0 GEADLO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccncc1F ZINC000575201153 652068640 /nfs/dbraw/zinc/06/86/40/652068640.db2.gz XIIGZWUZKRKBJQ-GFCCVEGCSA-N 1 2 385.486 2.154 20 0 GEADLO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000576391890 652113124 /nfs/dbraw/zinc/11/31/24/652113124.db2.gz ZTXLDWNEPGIBBA-NSHDSACASA-N 1 2 386.315 2.434 20 0 GEADLO NS(=O)(=O)c1sc(Cl)cc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620783599 652121798 /nfs/dbraw/zinc/12/17/98/652121798.db2.gz QMYMBNZUOHCNHS-GFCCVEGCSA-N 1 2 399.925 2.053 20 0 GEADLO NS(=O)(=O)c1sc(Cl)cc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000620783599 652121805 /nfs/dbraw/zinc/12/18/05/652121805.db2.gz QMYMBNZUOHCNHS-GFCCVEGCSA-N 1 2 399.925 2.053 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000746771271 652125115 /nfs/dbraw/zinc/12/51/15/652125115.db2.gz LREQTVJGABGFLJ-HNNXBMFYSA-N 1 2 389.949 2.455 20 0 GEADLO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1[C@H]1CCn2cc[nH+]c2C1 ZINC000576653180 652134423 /nfs/dbraw/zinc/13/44/23/652134423.db2.gz LZAQVHURWWUGHK-JSGCOSHPSA-N 1 2 375.226 2.254 20 0 GEADLO COc1cc(C[NH+]2CCC(N3CCCNC3=O)CC2)c(Br)cn1 ZINC000621268930 652140314 /nfs/dbraw/zinc/14/03/14/652140314.db2.gz DBQNSRQIJBYWMY-UHFFFAOYSA-N 1 2 383.290 2.232 20 0 GEADLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1CO ZINC000621361286 652152224 /nfs/dbraw/zinc/15/22/24/652152224.db2.gz WWYZUGBZODGACF-CHWSQXEVSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1CO ZINC000621361286 652152229 /nfs/dbraw/zinc/15/22/29/652152229.db2.gz WWYZUGBZODGACF-CHWSQXEVSA-N 1 2 376.316 2.173 20 0 GEADLO CC1(C)CN(C(=O)C(=O)NCCn2cc[nH+]c2)c2cc(Br)ccc21 ZINC000657512398 652168496 /nfs/dbraw/zinc/16/84/96/652168496.db2.gz WNSQQYZHDSUWNL-UHFFFAOYSA-N 1 2 391.269 2.086 20 0 GEADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC000657604049 652178746 /nfs/dbraw/zinc/17/87/46/652178746.db2.gz LHYSHLOAQDLURM-QWHCGFSZSA-N 1 2 382.707 2.313 20 0 GEADLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000657602611 652179043 /nfs/dbraw/zinc/17/90/43/652179043.db2.gz JZMSXXIEYZEWMI-ZFWWWQNUSA-N 1 2 378.475 2.458 20 0 GEADLO COCc1n[nH]c(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)n1 ZINC000657609032 652179687 /nfs/dbraw/zinc/17/96/87/652179687.db2.gz IZYYRLOEBKWGMM-UHFFFAOYSA-N 1 2 394.317 2.468 20 0 GEADLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000623121994 652227131 /nfs/dbraw/zinc/22/71/31/652227131.db2.gz ZBMHLJVIGWRCIR-UHFFFAOYSA-N 1 2 381.420 2.150 20 0 GEADLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000623121994 652227140 /nfs/dbraw/zinc/22/71/40/652227140.db2.gz ZBMHLJVIGWRCIR-UHFFFAOYSA-N 1 2 381.420 2.150 20 0 GEADLO C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C[C@@H](C)S1(=O)=O ZINC000578106939 652244127 /nfs/dbraw/zinc/24/41/27/652244127.db2.gz XKGVJUMMAMYQPR-IOASZLSFSA-N 1 2 387.933 2.160 20 0 GEADLO O=S1(=O)C[C@H](CNc2cc(N3CCSCC3)nc[nH+]2)c2ccccc21 ZINC000578149617 652248341 /nfs/dbraw/zinc/24/83/41/652248341.db2.gz UEDXDEDHSJAIBA-ZDUSSCGKSA-N 1 2 376.507 2.013 20 0 GEADLO O=S1(=O)C[C@H](CNc2cc(N3CCSCC3)[nH+]cn2)c2ccccc21 ZINC000578149617 652248344 /nfs/dbraw/zinc/24/83/44/652248344.db2.gz UEDXDEDHSJAIBA-ZDUSSCGKSA-N 1 2 376.507 2.013 20 0 GEADLO COCCOC[C@H]1CC[N@H+](Cn2c3cc(Br)ccc3oc2=O)C1 ZINC000749962420 652275916 /nfs/dbraw/zinc/27/59/16/652275916.db2.gz WLTLRNRAPCBHFC-LBPRGKRZSA-N 1 2 385.258 2.299 20 0 GEADLO COCCOC[C@H]1CC[N@@H+](Cn2c3cc(Br)ccc3oc2=O)C1 ZINC000749962420 652275924 /nfs/dbraw/zinc/27/59/24/652275924.db2.gz WLTLRNRAPCBHFC-LBPRGKRZSA-N 1 2 385.258 2.299 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000658709911 652305014 /nfs/dbraw/zinc/30/50/14/652305014.db2.gz OUPJLFYYEVLHEP-LBPRGKRZSA-N 1 2 381.263 2.359 20 0 GEADLO Cc1ncc(S(=O)(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1C ZINC000624845802 652306329 /nfs/dbraw/zinc/30/63/29/652306329.db2.gz OKRPJRWVHIAOQN-INIZCTEOSA-N 1 2 382.917 2.497 20 0 GEADLO FC(F)(F)CNC(=S)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000750980295 652317559 /nfs/dbraw/zinc/31/75/59/652317559.db2.gz IGYGOLRFAPTGJA-UHFFFAOYSA-N 1 2 376.448 2.043 20 0 GEADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccncc2Br)CC1 ZINC000625046356 652320125 /nfs/dbraw/zinc/32/01/25/652320125.db2.gz IZLBFUDITJOWAS-HNNXBMFYSA-N 1 2 395.345 2.363 20 0 GEADLO CCN(C1CC[NH+](Cc2ccncc2Br)CC1)S(C)(=O)=O ZINC000625242666 652333421 /nfs/dbraw/zinc/33/34/21/652333421.db2.gz FPBHVDNXLDDJPR-UHFFFAOYSA-N 1 2 376.320 2.090 20 0 GEADLO CC[C@@H](NC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl)C(=O)N1CCOCC1 ZINC000659250597 652350653 /nfs/dbraw/zinc/35/06/53/652350653.db2.gz MGKJMIPXRLPTEE-HIFRSBDPSA-N 1 2 388.295 2.008 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)CC1 ZINC000751463491 652353442 /nfs/dbraw/zinc/35/34/42/652353442.db2.gz NUNWBQBYJDCYQD-NSHDSACASA-N 1 2 389.930 2.027 20 0 GEADLO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000625604404 652361028 /nfs/dbraw/zinc/36/10/28/652361028.db2.gz FEFCPPYTAVHSSG-UHFFFAOYSA-N 1 2 379.309 2.479 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000625607449 652361174 /nfs/dbraw/zinc/36/11/74/652361174.db2.gz VBASYIHSMCHKIA-UHFFFAOYSA-N 1 2 378.416 2.191 20 0 GEADLO C[C@H](CC(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1)n1cc[nH+]c1 ZINC000580197041 652370382 /nfs/dbraw/zinc/37/03/82/652370382.db2.gz OSSQYVGCAWOOCI-IAQYHMDHSA-N 1 2 379.258 2.282 20 0 GEADLO O=S(=O)(c1c(F)cccc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000580215953 652371435 /nfs/dbraw/zinc/37/14/35/652371435.db2.gz IZRGQUUYOPTENZ-CYBMUJFWSA-N 1 2 376.881 2.355 20 0 GEADLO C[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037996 652380330 /nfs/dbraw/zinc/38/03/30/652380330.db2.gz NEHMUJROTABPTH-BJHJDKERSA-N 1 2 379.258 2.119 20 0 GEADLO C[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037996 652380331 /nfs/dbraw/zinc/38/03/31/652380331.db2.gz NEHMUJROTABPTH-BJHJDKERSA-N 1 2 379.258 2.119 20 0 GEADLO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000626082532 652381940 /nfs/dbraw/zinc/38/19/40/652381940.db2.gz ZYFNCLDXSAYJQP-ZYRRHWMLSA-N 1 2 391.309 2.268 20 0 GEADLO CN(C)c1cc(Cl)cc(Cl)c1CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000580707902 652389158 /nfs/dbraw/zinc/38/91/58/652389158.db2.gz XYBMAIDXULUHDY-CQSZACIVSA-N 1 2 376.328 2.184 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1nc2ccsc2s1 ZINC000626390798 652390984 /nfs/dbraw/zinc/39/09/84/652390984.db2.gz AYOAMGNKKUTWFC-MRXNPFEDSA-N 1 2 382.511 2.095 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1nc2ccsc2s1 ZINC000626390798 652390987 /nfs/dbraw/zinc/39/09/87/652390987.db2.gz AYOAMGNKKUTWFC-MRXNPFEDSA-N 1 2 382.511 2.095 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000660345961 652399178 /nfs/dbraw/zinc/39/91/78/652399178.db2.gz QEEZSEAVNAWNMI-BXUZGUMPSA-N 1 2 376.284 2.047 20 0 GEADLO Cc1cc(Br)c(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)s1 ZINC000660346213 652399221 /nfs/dbraw/zinc/39/92/21/652399221.db2.gz TWEJISMAKHDFNR-JTQLQIEISA-N 1 2 376.320 2.339 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660429343 652401929 /nfs/dbraw/zinc/40/19/29/652401929.db2.gz RHXFSBVWPRRAFZ-WMLDXEAASA-N 1 2 396.329 2.496 20 0 GEADLO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+]2CCOC[C@@H](O)C2)C1=O ZINC000581410713 652412145 /nfs/dbraw/zinc/41/21/45/652412145.db2.gz IRRUJQXVSAMAHI-JKSUJKDBSA-N 1 2 397.313 2.254 20 0 GEADLO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+]2CCOC[C@@H](O)C2)C1=O ZINC000581410713 652412147 /nfs/dbraw/zinc/41/21/47/652412147.db2.gz IRRUJQXVSAMAHI-JKSUJKDBSA-N 1 2 397.313 2.254 20 0 GEADLO COc1cc(Br)ccc1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661047948 652417728 /nfs/dbraw/zinc/41/77/28/652417728.db2.gz ZYNSYDVXTZZTRG-HNNXBMFYSA-N 1 2 398.301 2.074 20 0 GEADLO CC(C)[N@@H+]1CC[C@@H](NS(=O)(=O)C2COC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581702546 652422478 /nfs/dbraw/zinc/42/24/78/652422478.db2.gz SCWKNUYXOZCMGA-CVEARBPZSA-N 1 2 376.881 2.321 20 0 GEADLO CC(C)[N@H+]1CC[C@@H](NS(=O)(=O)C2COC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581702546 652422480 /nfs/dbraw/zinc/42/24/80/652422480.db2.gz SCWKNUYXOZCMGA-CVEARBPZSA-N 1 2 376.881 2.321 20 0 GEADLO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000661384001 652430006 /nfs/dbraw/zinc/43/00/06/652430006.db2.gz PVVBMKZRZJQEER-UHFFFAOYSA-N 1 2 380.341 2.397 20 0 GEADLO Brc1cc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc2c1OCO2 ZINC000582011293 652431746 /nfs/dbraw/zinc/43/17/46/652431746.db2.gz WXFAAMNYUUJGBC-AWEZNQCLSA-N 1 2 383.286 2.474 20 0 GEADLO Brc1cc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)cc2c1OCO2 ZINC000582011293 652431752 /nfs/dbraw/zinc/43/17/52/652431752.db2.gz WXFAAMNYUUJGBC-AWEZNQCLSA-N 1 2 383.286 2.474 20 0 GEADLO O=S1(=O)CC[C@H](CC[NH+]2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000661576275 652433043 /nfs/dbraw/zinc/43/30/43/652433043.db2.gz IOEIFRLYVGSEJG-AWEZNQCLSA-N 1 2 387.343 2.396 20 0 GEADLO CNS(=O)(=O)c1csc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000754524890 652437795 /nfs/dbraw/zinc/43/77/95/652437795.db2.gz JKPFLQZHLOFVQB-UHFFFAOYSA-N 1 2 377.447 2.199 20 0 GEADLO C[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCN1S(C)(=O)=O ZINC000661683930 652437948 /nfs/dbraw/zinc/43/79/48/652437948.db2.gz OWVWBZHEFRABCN-LLVKDONJSA-N 1 2 394.324 2.288 20 0 GEADLO C[C@@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCN1S(C)(=O)=O ZINC000661683930 652437951 /nfs/dbraw/zinc/43/79/51/652437951.db2.gz OWVWBZHEFRABCN-LLVKDONJSA-N 1 2 394.324 2.288 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1csc(C(F)(F)F)c1 ZINC000627714917 652438573 /nfs/dbraw/zinc/43/85/73/652438573.db2.gz HFRBBDSMHXDPFC-UHFFFAOYSA-N 1 2 378.416 2.378 20 0 GEADLO O=C(NC1CC([NH+]2CCOCC2)C1)c1c(F)ccc(Br)c1F ZINC000627941553 652444314 /nfs/dbraw/zinc/44/43/14/652444314.db2.gz JJBLPGVWFIYGNK-UHFFFAOYSA-N 1 2 375.213 2.320 20 0 GEADLO CCS(=O)(=O)C1(CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000661993967 652444639 /nfs/dbraw/zinc/44/46/39/652444639.db2.gz SYUWTNZSVKNZFX-OAHLLOKOSA-N 1 2 387.933 2.209 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662015580 652445439 /nfs/dbraw/zinc/44/54/39/652445439.db2.gz YGMZVMHIBXEZTG-AWEZNQCLSA-N 1 2 397.317 2.384 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662015580 652445441 /nfs/dbraw/zinc/44/54/41/652445441.db2.gz YGMZVMHIBXEZTG-AWEZNQCLSA-N 1 2 397.317 2.384 20 0 GEADLO CC(C)n1cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)nn1 ZINC000582323234 652445604 /nfs/dbraw/zinc/44/56/04/652445604.db2.gz SAACPNMBCOPDNT-UHFFFAOYSA-N 1 2 392.312 2.234 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+][C@H](CO)c3cccc(Cl)c3Cl)C2=O)n(C)n1 ZINC000662052962 652446742 /nfs/dbraw/zinc/44/67/42/652446742.db2.gz VUERSNSIHGMEPO-ZIAGYGMSSA-N 1 2 383.279 2.464 20 0 GEADLO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000662200439 652451566 /nfs/dbraw/zinc/45/15/66/652451566.db2.gz BCNWBVJEYOZGAB-JKSUJKDBSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000662200439 652451572 /nfs/dbraw/zinc/45/15/72/652451572.db2.gz BCNWBVJEYOZGAB-JKSUJKDBSA-N 1 2 386.286 2.200 20 0 GEADLO Cc1cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)ncc1Br ZINC000628120457 652451664 /nfs/dbraw/zinc/45/16/64/652451664.db2.gz OMLSPIADVXEUOU-UHFFFAOYSA-N 1 2 382.302 2.223 20 0 GEADLO COC(=O)[C@@H](NC(=O)C[N@H+](C)Cc1cc(Br)cs1)C(C)C ZINC000582515443 652453387 /nfs/dbraw/zinc/45/33/87/652453387.db2.gz PSZJUTXDUSGEHL-ZDUSSCGKSA-N 1 2 377.304 2.256 20 0 GEADLO COC(=O)[C@@H](NC(=O)C[N@@H+](C)Cc1cc(Br)cs1)C(C)C ZINC000582515443 652453388 /nfs/dbraw/zinc/45/33/88/652453388.db2.gz PSZJUTXDUSGEHL-ZDUSSCGKSA-N 1 2 377.304 2.256 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1cccc(Cl)c1Cl ZINC000628575089 652463683 /nfs/dbraw/zinc/46/36/83/652463683.db2.gz IMRQDZYYUCBMNQ-SFHVURJKSA-N 1 2 387.307 2.268 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1cccc(Cl)c1Cl ZINC000628575089 652463685 /nfs/dbraw/zinc/46/36/85/652463685.db2.gz IMRQDZYYUCBMNQ-SFHVURJKSA-N 1 2 387.307 2.268 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628679322 652467541 /nfs/dbraw/zinc/46/75/41/652467541.db2.gz SBPAYHHYKSWWEK-XIKOKIGWSA-N 1 2 392.297 2.387 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628679322 652467543 /nfs/dbraw/zinc/46/75/43/652467543.db2.gz SBPAYHHYKSWWEK-XIKOKIGWSA-N 1 2 392.297 2.387 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000583382733 652482854 /nfs/dbraw/zinc/48/28/54/652482854.db2.gz KWKRYXLEHFDUDB-CXAGYDPISA-N 1 2 380.330 2.231 20 0 GEADLO Cc1nc(N(C)C[C@H](O)COCCOC(C)C)c(Br)c(C)[nH+]1 ZINC000663432862 652499596 /nfs/dbraw/zinc/49/95/96/652499596.db2.gz JBGQGMWVYJISQN-ZDUSSCGKSA-N 1 2 376.295 2.095 20 0 GEADLO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000630426175 652508365 /nfs/dbraw/zinc/50/83/65/652508365.db2.gz VYJKVMNTTALESX-UHFFFAOYSA-N 1 2 377.242 2.216 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc(Br)cs2)[C@H](C)CO1 ZINC000663703254 652509394 /nfs/dbraw/zinc/50/93/94/652509394.db2.gz GVZKKSFVZKHPNA-GHMZBOCLSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(Br)cs2)[C@H](C)CO1 ZINC000663703254 652509397 /nfs/dbraw/zinc/50/93/97/652509397.db2.gz GVZKKSFVZKHPNA-GHMZBOCLSA-N 1 2 376.320 2.419 20 0 GEADLO Cc1nc(NC[C@@H]2CCCCN2S(C)(=O)=O)c(Br)c(C)[nH+]1 ZINC000663906021 652515879 /nfs/dbraw/zinc/51/58/79/652515879.db2.gz HEKIYBJYHPUAGI-NSHDSACASA-N 1 2 377.308 2.082 20 0 GEADLO COc1cc(Br)c(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)cc1OC ZINC000630808023 652516956 /nfs/dbraw/zinc/51/69/56/652516956.db2.gz NGLSVHUTCNOOOM-OAHLLOKOSA-N 1 2 397.273 2.441 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000584385978 652519263 /nfs/dbraw/zinc/51/92/63/652519263.db2.gz ZVHISPCJAKWPQU-IATRGZMQSA-N 1 2 377.312 2.087 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NCCC(C)(C)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000584456885 652521376 /nfs/dbraw/zinc/52/13/76/652521376.db2.gz ZZGAZPPUOPMNRY-OAHLLOKOSA-N 1 2 389.949 2.455 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=S)NC[C@H]3CCOC3)[nH+]c12 ZINC000757941849 652526133 /nfs/dbraw/zinc/52/61/33/652526133.db2.gz XCGFHIDAIFTHBE-GFCCVEGCSA-N 1 2 397.342 2.448 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC4(COC4)C3)[nH+]c12 ZINC000664645792 652533933 /nfs/dbraw/zinc/53/39/33/652533933.db2.gz CMOXCIBAHMZTEJ-UHFFFAOYSA-N 1 2 393.285 2.380 20 0 GEADLO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ncc[nH]1 ZINC000631799808 652534991 /nfs/dbraw/zinc/53/49/91/652534991.db2.gz GLDTXEPOBODQFN-UHFFFAOYSA-N 1 2 376.404 2.181 20 0 GEADLO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ncc[nH]1 ZINC000631813769 652536253 /nfs/dbraw/zinc/53/62/53/652536253.db2.gz SYIDKYXNBOCGKN-UHFFFAOYSA-N 1 2 376.404 2.181 20 0 GEADLO CCC[C@H]1CN(C(=O)c2scnc2Br)CC[N@@H+]1CCOC ZINC000758431634 652541342 /nfs/dbraw/zinc/54/13/42/652541342.db2.gz JBHJCESHXKTQJJ-NSHDSACASA-N 1 2 376.320 2.479 20 0 GEADLO CCC[C@H]1CN(C(=O)c2scnc2Br)CC[N@H+]1CCOC ZINC000758431634 652541349 /nfs/dbraw/zinc/54/13/49/652541349.db2.gz JBHJCESHXKTQJJ-NSHDSACASA-N 1 2 376.320 2.479 20 0 GEADLO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2c(Cl)nc(Cl)n2C)cc1 ZINC000758502635 652544629 /nfs/dbraw/zinc/54/46/29/652544629.db2.gz RIRWDCFMHXWVFG-UHFFFAOYSA-N 1 2 392.308 2.437 20 0 GEADLO O=S(=O)(C[C@@H]1CCCC(F)(F)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000632310557 652556282 /nfs/dbraw/zinc/55/62/82/652556282.db2.gz LEXLCBWRXFDPCX-HZPDHXFCSA-N 1 2 380.501 2.186 20 0 GEADLO COC(=O)[C@@H](NC(=O)C[N@H+](C)Cc1ccc(Br)s1)C(C)C ZINC000589252680 652563775 /nfs/dbraw/zinc/56/37/75/652563775.db2.gz BNNNVHGPDFKAES-ZDUSSCGKSA-N 1 2 377.304 2.256 20 0 GEADLO COC(=O)[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Br)s1)C(C)C ZINC000589252680 652563778 /nfs/dbraw/zinc/56/37/78/652563778.db2.gz BNNNVHGPDFKAES-ZDUSSCGKSA-N 1 2 377.304 2.256 20 0 GEADLO COc1ccsc1S(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680564 652574715 /nfs/dbraw/zinc/57/47/15/652574715.db2.gz PVBRKYYPJBEKDS-UHFFFAOYSA-N 1 2 385.536 2.183 20 0 GEADLO O=C(NCCOCC(F)(F)F)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632888586 652582478 /nfs/dbraw/zinc/58/24/78/652582478.db2.gz NFBBJGKGLYSHPK-UHFFFAOYSA-N 1 2 378.420 2.013 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000666696248 652583656 /nfs/dbraw/zinc/58/36/56/652583656.db2.gz XJTYBRNFMFOILD-GFCCVEGCSA-N 1 2 393.241 2.228 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000592199527 652590945 /nfs/dbraw/zinc/59/09/45/652590945.db2.gz RAWLDEWJKOVLQD-OCCSQVGLSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000592199527 652590950 /nfs/dbraw/zinc/59/09/50/652590950.db2.gz RAWLDEWJKOVLQD-OCCSQVGLSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000592202126 652591485 /nfs/dbraw/zinc/59/14/85/652591485.db2.gz ZBJCDRDEZYFFAM-HOSYDEDBSA-N 1 2 375.252 2.176 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000592202126 652591488 /nfs/dbraw/zinc/59/14/88/652591488.db2.gz ZBJCDRDEZYFFAM-HOSYDEDBSA-N 1 2 375.252 2.176 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000592205831 652591666 /nfs/dbraw/zinc/59/16/66/652591666.db2.gz XTCPIOXLXOLEAO-ONGXEEELSA-N 1 2 386.235 2.399 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000592205831 652591671 /nfs/dbraw/zinc/59/16/71/652591671.db2.gz XTCPIOXLXOLEAO-ONGXEEELSA-N 1 2 386.235 2.399 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000592206329 652591756 /nfs/dbraw/zinc/59/17/56/652591756.db2.gz YXDVNUOSHZJQLQ-VHSXEESVSA-N 1 2 386.235 2.399 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000592206329 652591759 /nfs/dbraw/zinc/59/17/59/652591759.db2.gz YXDVNUOSHZJQLQ-VHSXEESVSA-N 1 2 386.235 2.399 20 0 GEADLO CSCc1ccccc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000760075752 652594731 /nfs/dbraw/zinc/59/47/31/652594731.db2.gz IVGRABGDRNYRCS-UHFFFAOYSA-N 1 2 385.555 2.180 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2scc(Br)c2C)CC1 ZINC000633412659 652595888 /nfs/dbraw/zinc/59/58/88/652595888.db2.gz SANRBSDXVOUSCM-UHFFFAOYSA-N 1 2 391.331 2.238 20 0 GEADLO CN(C(=O)c1cc(Br)c2nccn2c1)C(C)(C)C[NH+]1CCOCC1 ZINC000633441054 652597073 /nfs/dbraw/zinc/59/70/73/652597073.db2.gz DIQVAJYUZDGYPE-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2c(F)cncc2Br)CC1 ZINC000667687975 652617810 /nfs/dbraw/zinc/61/78/10/652617810.db2.gz BUZQZAFABGCYEG-ZDUSSCGKSA-N 1 2 399.308 2.112 20 0 GEADLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000668237268 652634565 /nfs/dbraw/zinc/63/45/65/652634565.db2.gz JKPKPWRMWYEXSU-WDEREUQCSA-N 1 2 381.064 2.421 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CN2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000761284139 652641274 /nfs/dbraw/zinc/64/12/74/652641274.db2.gz SPBLISGLSVJTNX-PXAZEXFGSA-N 1 2 385.295 2.006 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CN2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000761284139 652641275 /nfs/dbraw/zinc/64/12/75/652641275.db2.gz SPBLISGLSVJTNX-PXAZEXFGSA-N 1 2 385.295 2.006 20 0 GEADLO O=C(Cc1ccccc1Br)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634511286 652641864 /nfs/dbraw/zinc/64/18/64/652641864.db2.gz IFQVEHRWCFAIRZ-UHFFFAOYSA-N 1 2 389.297 2.169 20 0 GEADLO O=S(=O)(N[C@H]1CCn2c[nH+]cc2C1)c1cc(F)c(Br)cc1F ZINC000634660985 652651572 /nfs/dbraw/zinc/65/15/72/652651572.db2.gz HFDPEXBILLHDLT-QMMMGPOBSA-N 1 2 392.225 2.217 20 0 GEADLO Cc1cc(Br)sc1S(=O)(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000634661268 652651641 /nfs/dbraw/zinc/65/16/41/652651641.db2.gz NPBNVENXTAXJNA-SECBINFHSA-N 1 2 376.301 2.309 20 0 GEADLO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]Cc1ccc(C)o1 ZINC000634727782 652660350 /nfs/dbraw/zinc/66/03/50/652660350.db2.gz FCAIEOQMRNLTDY-UHFFFAOYSA-N 1 2 385.507 2.335 20 0 GEADLO C[C@H]([C@H]1C[N@H+](C)CCO1)N1C(=O)[C@@H](c2cccc(Br)c2)N(C)C1=O ZINC000762166955 652678006 /nfs/dbraw/zinc/67/80/06/652678006.db2.gz FXSBQFKDIYHZGQ-KCPJHIHWSA-N 1 2 396.285 2.103 20 0 GEADLO C[C@H]([C@H]1C[N@@H+](C)CCO1)N1C(=O)[C@@H](c2cccc(Br)c2)N(C)C1=O ZINC000762166955 652678015 /nfs/dbraw/zinc/67/80/15/652678015.db2.gz FXSBQFKDIYHZGQ-KCPJHIHWSA-N 1 2 396.285 2.103 20 0 GEADLO C[C@H]([C@H]1C[N@H+](C)CCO1)N1C(=O)[C@H](c2cccc(Br)c2)N(C)C1=O ZINC000762166953 652678233 /nfs/dbraw/zinc/67/82/33/652678233.db2.gz FXSBQFKDIYHZGQ-DFBGVHRSSA-N 1 2 396.285 2.103 20 0 GEADLO C[C@H]([C@H]1C[N@@H+](C)CCO1)N1C(=O)[C@H](c2cccc(Br)c2)N(C)C1=O ZINC000762166953 652678235 /nfs/dbraw/zinc/67/82/35/652678235.db2.gz FXSBQFKDIYHZGQ-DFBGVHRSSA-N 1 2 396.285 2.103 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635108255 652691412 /nfs/dbraw/zinc/69/14/12/652691412.db2.gz YWRWMAIPAZFOMA-GHMZBOCLSA-N 1 2 377.242 2.373 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635108255 652691418 /nfs/dbraw/zinc/69/14/18/652691418.db2.gz YWRWMAIPAZFOMA-GHMZBOCLSA-N 1 2 377.242 2.373 20 0 GEADLO O=C(C[NH2+]Cc1cc2n(n1)CCC2)Nc1ccc(I)cc1 ZINC000594940564 652697835 /nfs/dbraw/zinc/69/78/35/652697835.db2.gz KUSQFYRYNZBYKB-UHFFFAOYSA-N 1 2 396.232 2.162 20 0 GEADLO COC(=O)Cn1cc(C[NH2+][C@H]2CSCc3ccc(Br)cc32)nn1 ZINC000594973707 652699412 /nfs/dbraw/zinc/69/94/12/652699412.db2.gz UIRYUVZHOJXSFI-AWEZNQCLSA-N 1 2 397.298 2.291 20 0 GEADLO COC(=O)CCN1CCC[C@@H]([N@@H+]2CCc3cccc(Br)c3C2)C1=O ZINC000595321075 652713298 /nfs/dbraw/zinc/71/32/98/652713298.db2.gz KHMITHBMTVBJGX-MRXNPFEDSA-N 1 2 395.297 2.361 20 0 GEADLO COC(=O)CCN1CCC[C@@H]([N@H+]2CCc3cccc(Br)c3C2)C1=O ZINC000595321075 652713302 /nfs/dbraw/zinc/71/33/02/652713302.db2.gz KHMITHBMTVBJGX-MRXNPFEDSA-N 1 2 395.297 2.361 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCc3c(F)cc(Br)cc3C2)C1 ZINC000669931009 652727650 /nfs/dbraw/zinc/72/76/50/652727650.db2.gz DAAFILBXTREMPD-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCc3c(F)cc(Br)cc3C2)C1 ZINC000669931009 652727666 /nfs/dbraw/zinc/72/76/66/652727666.db2.gz DAAFILBXTREMPD-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO COC(=O)[C@@H](c1ccccc1Br)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000595507194 652731598 /nfs/dbraw/zinc/73/15/98/652731598.db2.gz KVARCOYQOATCCW-WMLDXEAASA-N 1 2 397.313 2.460 20 0 GEADLO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595828864 652737142 /nfs/dbraw/zinc/73/71/42/652737142.db2.gz MCUUFEGKYZIIEL-KGLIPLIRSA-N 1 2 391.295 2.320 20 0 GEADLO CCOC(=O)C12CC(C1)C[N@@H+]2C[C@H](O)COc1ccc(Br)cc1 ZINC000595861670 652739722 /nfs/dbraw/zinc/73/97/22/652739722.db2.gz ZHCOGCLXUPERLK-TVIZTDCDSA-N 1 2 384.270 2.216 20 0 GEADLO CCOC(=O)C12CC(C1)C[N@H+]2C[C@H](O)COc1ccc(Br)cc1 ZINC000595861670 652739729 /nfs/dbraw/zinc/73/97/29/652739729.db2.gz ZHCOGCLXUPERLK-TVIZTDCDSA-N 1 2 384.270 2.216 20 0 GEADLO C[C@H](C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000635594605 652742521 /nfs/dbraw/zinc/74/25/21/652742521.db2.gz MQSLBLUMVHILGQ-LLVKDONJSA-N 1 2 391.331 2.068 20 0 GEADLO CC(=O)N(C)CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000670394640 652744764 /nfs/dbraw/zinc/74/47/64/652744764.db2.gz WXZUUYPICXJEQL-UHFFFAOYSA-N 1 2 393.285 2.153 20 0 GEADLO O=C(CCc1cc(F)ccc1Br)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670409050 652746590 /nfs/dbraw/zinc/74/65/90/652746590.db2.gz DFSFFNBIZGOYAW-HNNXBMFYSA-N 1 2 384.293 2.027 20 0 GEADLO O=C(CCc1cc(F)ccc1Br)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670409050 652746595 /nfs/dbraw/zinc/74/65/95/652746595.db2.gz DFSFFNBIZGOYAW-HNNXBMFYSA-N 1 2 384.293 2.027 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(OC)ncc2Br)C1 ZINC000598621260 652824702 /nfs/dbraw/zinc/82/47/02/652824702.db2.gz IRAVMYHQDXJLHU-NSHDSACASA-N 1 2 375.288 2.191 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc(OC)ncc2Br)C1 ZINC000598621260 652824704 /nfs/dbraw/zinc/82/47/04/652824704.db2.gz IRAVMYHQDXJLHU-NSHDSACASA-N 1 2 375.288 2.191 20 0 GEADLO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672148522 652828251 /nfs/dbraw/zinc/82/82/51/652828251.db2.gz QBWILOCPIMTUSB-WDEREUQCSA-N 1 2 381.263 2.439 20 0 GEADLO COc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1I ZINC000598945771 652841605 /nfs/dbraw/zinc/84/16/05/652841605.db2.gz CARZWXYETBYETJ-LLVKDONJSA-N 1 2 397.216 2.241 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccc(I)c(F)c1 ZINC000598948025 652842210 /nfs/dbraw/zinc/84/22/10/652842210.db2.gz OICAFODAWZJBHM-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=S)NCc2ccon2)c2ccc(Cl)cc2)C1 ZINC000765520080 652842715 /nfs/dbraw/zinc/84/27/15/652842715.db2.gz KMGUQSSEZZMLRV-CVEARBPZSA-N 1 2 380.901 2.364 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=S)NCc2ccon2)c2ccc(Cl)cc2)C1 ZINC000765520080 652842720 /nfs/dbraw/zinc/84/27/20/652842720.db2.gz KMGUQSSEZZMLRV-CVEARBPZSA-N 1 2 380.901 2.364 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)cc1O ZINC000673296776 652859793 /nfs/dbraw/zinc/85/97/93/652859793.db2.gz KZXQPHNFOLRJOE-DOMZBBRYSA-N 1 2 383.286 2.019 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(c2ncc(I)cn2)CC1 ZINC000766086291 652865957 /nfs/dbraw/zinc/86/59/57/652865957.db2.gz WAAOROMCMJYOND-UHFFFAOYSA-N 1 2 382.196 2.247 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(c2ncc(I)cn2)CC1 ZINC000766086291 652865958 /nfs/dbraw/zinc/86/59/58/652865958.db2.gz WAAOROMCMJYOND-UHFFFAOYSA-N 1 2 382.196 2.247 20 0 GEADLO O=C1c2ccc(Br)cc2C(=O)N1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000766092059 652866982 /nfs/dbraw/zinc/86/69/82/652866982.db2.gz MHFBULVIUKSUKO-NSHDSACASA-N 1 2 395.253 2.088 20 0 GEADLO O=C1c2ccc(Br)cc2C(=O)N1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000766092059 652866983 /nfs/dbraw/zinc/86/69/83/652866983.db2.gz MHFBULVIUKSUKO-NSHDSACASA-N 1 2 395.253 2.088 20 0 GEADLO COC(=O)c1cnc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cn1 ZINC000599416188 652869811 /nfs/dbraw/zinc/86/98/11/652869811.db2.gz USKKEQSKDNFBGY-INIZCTEOSA-N 1 2 380.242 2.023 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000599562451 652878193 /nfs/dbraw/zinc/87/81/93/652878193.db2.gz IBYAEOIVUVXVMV-NPMXOYFQSA-N 1 2 380.293 2.365 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000599562451 652878198 /nfs/dbraw/zinc/87/81/98/652878198.db2.gz IBYAEOIVUVXVMV-NPMXOYFQSA-N 1 2 380.293 2.365 20 0 GEADLO C[N@H+](Cc1ccc(S(N)(=O)=O)o1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000637944803 652878239 /nfs/dbraw/zinc/87/82/39/652878239.db2.gz NGWZYBSYBXCBQI-DZGCQCFKSA-N 1 2 391.276 2.324 20 0 GEADLO C[N@@H+](Cc1ccc(S(N)(=O)=O)o1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000637944803 652878242 /nfs/dbraw/zinc/87/82/42/652878242.db2.gz NGWZYBSYBXCBQI-DZGCQCFKSA-N 1 2 391.276 2.324 20 0 GEADLO Cc1cc[nH+]c(N2CCN(Cc3ccc(S(N)(=O)=O)c(Cl)c3)CC2)c1 ZINC000637951794 652878574 /nfs/dbraw/zinc/87/85/74/652878574.db2.gz RRHPHEZPXJIGAH-UHFFFAOYSA-N 1 2 380.901 2.013 20 0 GEADLO O=c1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c[nH]1 ZINC000637997135 652880790 /nfs/dbraw/zinc/88/07/90/652880790.db2.gz POGMQHYEYJJPAU-UHFFFAOYSA-N 1 2 387.914 2.399 20 0 GEADLO O=c1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c[nH]1 ZINC000637997135 652880792 /nfs/dbraw/zinc/88/07/92/652880792.db2.gz POGMQHYEYJJPAU-UHFFFAOYSA-N 1 2 387.914 2.399 20 0 GEADLO CSCC[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C(N)=O ZINC000599706970 652884296 /nfs/dbraw/zinc/88/42/96/652884296.db2.gz BNDTVTVDCABVKL-YPMHNXCESA-N 1 2 385.559 2.104 20 0 GEADLO CSCC[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C(N)=O ZINC000599706970 652884298 /nfs/dbraw/zinc/88/42/98/652884298.db2.gz BNDTVTVDCABVKL-YPMHNXCESA-N 1 2 385.559 2.104 20 0 GEADLO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674203327 652890683 /nfs/dbraw/zinc/89/06/83/652890683.db2.gz LEMVKODMNDNMNJ-AWEZNQCLSA-N 1 2 377.242 2.448 20 0 GEADLO C[N@H+](CCO)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000674700476 652909032 /nfs/dbraw/zinc/90/90/32/652909032.db2.gz RIXZAICHLJDPGU-UHFFFAOYSA-N 1 2 391.063 2.285 20 0 GEADLO C[N@@H+](CCO)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000674700476 652909045 /nfs/dbraw/zinc/90/90/45/652909045.db2.gz RIXZAICHLJDPGU-UHFFFAOYSA-N 1 2 391.063 2.285 20 0 GEADLO Brc1cnc2c(CN3CC[NH+](Cc4cccnc4)CC3)cnn2c1 ZINC000638919875 652913145 /nfs/dbraw/zinc/91/31/45/652913145.db2.gz NEENDQZOKHICBT-UHFFFAOYSA-N 1 2 387.285 2.205 20 0 GEADLO CO[C@H](C)c1nc(CN2CCC[N@H+](CCCCS(C)(=O)=O)CC2)cs1 ZINC000675299893 652922633 /nfs/dbraw/zinc/92/26/33/652922633.db2.gz IQBMWJPGHCYZQN-OAHLLOKOSA-N 1 2 389.587 2.183 20 0 GEADLO CO[C@H](C)c1nc(CN2CCC[N@@H+](CCCCS(C)(=O)=O)CC2)cs1 ZINC000675299893 652922639 /nfs/dbraw/zinc/92/26/39/652922639.db2.gz IQBMWJPGHCYZQN-OAHLLOKOSA-N 1 2 389.587 2.183 20 0 GEADLO COc1cc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(F)cc1Br ZINC000639201125 652927077 /nfs/dbraw/zinc/92/70/77/652927077.db2.gz GVLPZLJXSIQARP-LLVKDONJSA-N 1 2 395.294 2.063 20 0 GEADLO COc1cc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(F)cc1Br ZINC000639201125 652927080 /nfs/dbraw/zinc/92/70/80/652927080.db2.gz GVLPZLJXSIQARP-LLVKDONJSA-N 1 2 395.294 2.063 20 0 GEADLO Fc1cc(Br)cnc1CN1CC[NH+](CCc2cnccn2)CC1 ZINC000639391484 652936061 /nfs/dbraw/zinc/93/60/61/652936061.db2.gz FXLLCKQSDLRSJG-UHFFFAOYSA-N 1 2 380.265 2.134 20 0 GEADLO COC(=O)c1cc(C[NH2+]Cc2c(Br)cnn2C)n2c1CCCC2 ZINC000600884194 652937231 /nfs/dbraw/zinc/93/72/31/652937231.db2.gz JONXSQYPYQFMQV-UHFFFAOYSA-N 1 2 381.274 2.397 20 0 GEADLO Cn1ccnc1[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)C(C)(C)CO ZINC000639775341 652954729 /nfs/dbraw/zinc/95/47/29/652954729.db2.gz SZFAOATUHZRQFK-OAHLLOKOSA-N 1 2 395.301 2.471 20 0 GEADLO CC[N@H+](Cc1csc(CC(=O)N(C)C)n1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639819288 652956888 /nfs/dbraw/zinc/95/68/88/652956888.db2.gz HFKFGUSRHNLZCL-ZDUSSCGKSA-N 1 2 378.464 2.232 20 0 GEADLO CC[N@@H+](Cc1csc(CC(=O)N(C)C)n1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639819288 652956892 /nfs/dbraw/zinc/95/68/92/652956892.db2.gz HFKFGUSRHNLZCL-ZDUSSCGKSA-N 1 2 378.464 2.232 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCn1cc(Br)cn1 ZINC000676255639 653093425 /nfs/dbraw/zinc/09/34/25/653093425.db2.gz JMTWWZGHPRUQQJ-UHFFFAOYSA-N 1 2 394.273 2.214 20 0 GEADLO O=C(c1c(F)cc(Br)cc1F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676339932 653094721 /nfs/dbraw/zinc/09/47/21/653094721.db2.gz LFRFFFACIMWBLS-LLVKDONJSA-N 1 2 375.213 2.274 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767962524 653096382 /nfs/dbraw/zinc/09/63/82/653096382.db2.gz IVSKZZBASOMNMT-UHFFFAOYSA-N 1 2 398.648 2.059 20 0 GEADLO CC[N@@H+](Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)C[C@@H]1CCOC1 ZINC000768521768 653115496 /nfs/dbraw/zinc/11/54/96/653115496.db2.gz VDMWNXLWTJAUOJ-UONOGXRCSA-N 1 2 375.922 2.063 20 0 GEADLO CC[N@H+](Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)C[C@@H]1CCOC1 ZINC000768521768 653115503 /nfs/dbraw/zinc/11/55/03/653115503.db2.gz VDMWNXLWTJAUOJ-UONOGXRCSA-N 1 2 375.922 2.063 20 0 GEADLO CC[N@@H+](Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C[C@H]1CCOC1 ZINC000768521766 653115527 /nfs/dbraw/zinc/11/55/27/653115527.db2.gz VDMWNXLWTJAUOJ-KGLIPLIRSA-N 1 2 375.922 2.063 20 0 GEADLO CC[N@H+](Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C[C@H]1CCOC1 ZINC000768521766 653115530 /nfs/dbraw/zinc/11/55/30/653115530.db2.gz VDMWNXLWTJAUOJ-KGLIPLIRSA-N 1 2 375.922 2.063 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000768563316 653117306 /nfs/dbraw/zinc/11/73/06/653117306.db2.gz SQEFZIWQMZFUFL-UWVGGRQHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000768563316 653117311 /nfs/dbraw/zinc/11/73/11/653117311.db2.gz SQEFZIWQMZFUFL-UWVGGRQHSA-N 1 2 395.294 2.310 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c(Cl)cc1Cl ZINC000768563458 653118021 /nfs/dbraw/zinc/11/80/21/653118021.db2.gz TYBZIGFWAGQPQQ-UWVGGRQHSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(Cl)cc1Cl ZINC000768563458 653118026 /nfs/dbraw/zinc/11/80/26/653118026.db2.gz TYBZIGFWAGQPQQ-UWVGGRQHSA-N 1 2 395.308 2.493 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000805471101 653118414 /nfs/dbraw/zinc/11/84/14/653118414.db2.gz ZSXMGCYECGVXMI-HNNXBMFYSA-N 1 2 389.279 2.216 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000805471101 653118418 /nfs/dbraw/zinc/11/84/18/653118418.db2.gz ZSXMGCYECGVXMI-HNNXBMFYSA-N 1 2 389.279 2.216 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)C1 ZINC000805476785 653119223 /nfs/dbraw/zinc/11/92/23/653119223.db2.gz ZQDVQNQAUNAGKC-KBPBESRZSA-N 1 2 376.236 2.471 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)C1 ZINC000805476785 653119230 /nfs/dbraw/zinc/11/92/30/653119230.db2.gz ZQDVQNQAUNAGKC-KBPBESRZSA-N 1 2 376.236 2.471 20 0 GEADLO Cc1cc(N2CC[C@H](S(N)(=O)=O)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000677307515 653120104 /nfs/dbraw/zinc/12/01/04/653120104.db2.gz HMDCANSPEPOFIK-JTQLQIEISA-N 1 2 375.372 2.309 20 0 GEADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2csc(Cl)n2)CC1 ZINC000771611887 653120895 /nfs/dbraw/zinc/12/08/95/653120895.db2.gz SCLSJOSNOBEAND-UHFFFAOYSA-N 1 2 388.921 2.469 20 0 GEADLO COC(=O)C[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000771862055 653130049 /nfs/dbraw/zinc/13/00/49/653130049.db2.gz JNDBSTXJGSBAOE-MGPLVRAMSA-N 1 2 385.873 2.154 20 0 GEADLO COC(=O)C[C@@H]1CCC[N@H+]1CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000771862055 653130058 /nfs/dbraw/zinc/13/00/58/653130058.db2.gz JNDBSTXJGSBAOE-MGPLVRAMSA-N 1 2 385.873 2.154 20 0 GEADLO O=C(Cn1cc(CC[NH+]2CCOCC2)nn1)Nc1c(Cl)cccc1Cl ZINC000640771118 653137547 /nfs/dbraw/zinc/13/75/47/653137547.db2.gz KGHDJCVUOMVPKP-UHFFFAOYSA-N 1 2 384.267 2.098 20 0 GEADLO O=C(C=C1CCSCC1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000772130356 653140361 /nfs/dbraw/zinc/14/03/61/653140361.db2.gz WYZIQBGSGSHPSQ-UHFFFAOYSA-N 1 2 380.535 2.389 20 0 GEADLO C[C@H](NC(=O)Cn1cc(Cn2cc[nH+]c2)nn1)c1ccc(Br)cc1 ZINC000640847653 653142059 /nfs/dbraw/zinc/14/20/59/653142059.db2.gz MZTXSDWSVWLEMN-LBPRGKRZSA-N 1 2 389.257 2.163 20 0 GEADLO Brc1cc2c(cc1Cn1cc(Cn3cc[nH+]c3)nn1)OCCO2 ZINC000640852598 653142563 /nfs/dbraw/zinc/14/25/63/653142563.db2.gz VBHRTNUQEPONAR-UHFFFAOYSA-N 1 2 376.214 2.105 20 0 GEADLO C[C@H](c1ccc(Cl)cc1Cl)n1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000640990999 653149709 /nfs/dbraw/zinc/14/97/09/653149709.db2.gz IIMHRJKJFAIHET-PWSUYJOCSA-N 1 2 389.308 2.471 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn(CCSc3cccc(Cl)c3)nn2)C1 ZINC000641112124 653157888 /nfs/dbraw/zinc/15/78/88/653157888.db2.gz DNNGJCAZBFTCPV-ZDUSSCGKSA-N 1 2 386.930 2.001 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000769481081 653159373 /nfs/dbraw/zinc/15/93/73/653159373.db2.gz RDYBGOUAOQIJKC-VWLOTQADSA-N 1 2 380.945 2.081 20 0 GEADLO C[C@@H](CCSc1ccccc1)n1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000641140166 653162489 /nfs/dbraw/zinc/16/24/89/653162489.db2.gz LITKSMCPKBASRY-GJZGRUSLSA-N 1 2 380.539 2.298 20 0 GEADLO COCC[N@H+](C)Cc1cn(C[C@@H](O)COc2c(Cl)cccc2Cl)nn1 ZINC000641202848 653169483 /nfs/dbraw/zinc/16/94/83/653169483.db2.gz KCBOBXAJAXPFHB-CYBMUJFWSA-N 1 2 389.283 2.103 20 0 GEADLO COCC[N@@H+](C)Cc1cn(C[C@@H](O)COc2c(Cl)cccc2Cl)nn1 ZINC000641202848 653169487 /nfs/dbraw/zinc/16/94/87/653169487.db2.gz KCBOBXAJAXPFHB-CYBMUJFWSA-N 1 2 389.283 2.103 20 0 GEADLO COCC[N@H+](C)Cc1cn(C[C@H](O)COc2c(Cl)cccc2Cl)nn1 ZINC000641202849 653169616 /nfs/dbraw/zinc/16/96/16/653169616.db2.gz KCBOBXAJAXPFHB-ZDUSSCGKSA-N 1 2 389.283 2.103 20 0 GEADLO COCC[N@@H+](C)Cc1cn(C[C@H](O)COc2c(Cl)cccc2Cl)nn1 ZINC000641202849 653169623 /nfs/dbraw/zinc/16/96/23/653169623.db2.gz KCBOBXAJAXPFHB-ZDUSSCGKSA-N 1 2 389.283 2.103 20 0 GEADLO COC(=O)N1CC([NH2+][C@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000773072980 653179823 /nfs/dbraw/zinc/17/98/23/653179823.db2.gz QNJWLBOOYRHDQN-SNVBAGLBSA-N 1 2 394.273 2.439 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCc1ccc(Br)cc1Cl ZINC000641299667 653181793 /nfs/dbraw/zinc/18/17/93/653181793.db2.gz WJVXPTGDQJXKMJ-UHFFFAOYSA-N 1 2 378.679 2.419 20 0 GEADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000602483668 653185550 /nfs/dbraw/zinc/18/55/50/653185550.db2.gz JOARCLKLRHNEDH-MCFWBGNESA-N 1 2 384.498 2.404 20 0 GEADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000602483668 653185551 /nfs/dbraw/zinc/18/55/51/653185551.db2.gz JOARCLKLRHNEDH-MCFWBGNESA-N 1 2 384.498 2.404 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000807280192 653188236 /nfs/dbraw/zinc/18/82/36/653188236.db2.gz HQEQYEFWHUWUEE-CQSZACIVSA-N 1 2 391.225 2.099 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1c(C)c(C)sc1Br ZINC000807281132 653189047 /nfs/dbraw/zinc/18/90/47/653189047.db2.gz OUJFLILQBBTVGQ-SNVBAGLBSA-N 1 2 386.271 2.296 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C[C@H](C(F)(F)F)O1 ZINC000641365211 653192990 /nfs/dbraw/zinc/19/29/90/653192990.db2.gz WTLQSRINWDCXDR-IAQYHMDHSA-N 1 2 378.416 2.015 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C[C@H](C(F)(F)F)O1 ZINC000641365211 653192993 /nfs/dbraw/zinc/19/29/93/653192993.db2.gz WTLQSRINWDCXDR-IAQYHMDHSA-N 1 2 378.416 2.015 20 0 GEADLO Cc1ccc(CNS(=O)(=O)CCn2cc[nH+]c2)c(OCC(F)(F)F)c1 ZINC000641375576 653195092 /nfs/dbraw/zinc/19/50/92/653195092.db2.gz HWDRSDLXKRWDRI-UHFFFAOYSA-N 1 2 377.388 2.252 20 0 GEADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cnn2cc(Br)cnc12 ZINC000602625130 653195901 /nfs/dbraw/zinc/19/59/01/653195901.db2.gz DNDVYKLVYQIFOD-SWHYSGLUSA-N 1 2 379.258 2.265 20 0 GEADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cnn2cc(Br)cnc12 ZINC000602625130 653195908 /nfs/dbraw/zinc/19/59/08/653195908.db2.gz DNDVYKLVYQIFOD-SWHYSGLUSA-N 1 2 379.258 2.265 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cnc2ncc(Br)cc2c1)[NH+]1CCOCC1 ZINC000681986802 653201017 /nfs/dbraw/zinc/20/10/17/653201017.db2.gz YPSNOJAPTQWBJH-NWDGAFQWSA-N 1 2 393.285 2.231 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000641450856 653207822 /nfs/dbraw/zinc/20/78/22/653207822.db2.gz LNFRPORPVHHPMT-CYBMUJFWSA-N 1 2 389.308 2.388 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000641501828 653214805 /nfs/dbraw/zinc/21/48/05/653214805.db2.gz FFKGGHITMJWFOJ-AWEZNQCLSA-N 1 2 385.287 2.111 20 0 GEADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000682498471 653215578 /nfs/dbraw/zinc/21/55/78/653215578.db2.gz PJBSOUMQNHKGIC-GFCCVEGCSA-N 1 2 378.274 2.268 20 0 GEADLO CN(Cc1ccc(OCC(F)(F)F)cc1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641509866 653215816 /nfs/dbraw/zinc/21/58/16/653215816.db2.gz COSNZJOARNYJMO-UHFFFAOYSA-N 1 2 377.388 2.286 20 0 GEADLO CNS(=O)(=O)c1ccccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000641684037 653230011 /nfs/dbraw/zinc/23/00/11/653230011.db2.gz VNPCGVKRTQARJV-UHFFFAOYSA-N 1 2 378.523 2.155 20 0 GEADLO O=C(CCCn1cc[nH+]c1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000683257091 653232995 /nfs/dbraw/zinc/23/29/95/653232995.db2.gz VWHVAYOVTBLJED-OAHLLOKOSA-N 1 2 380.286 2.393 20 0 GEADLO O=C(CCCn1cc[nH+]c1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000683258235 653233000 /nfs/dbraw/zinc/23/30/00/653233000.db2.gz XSDRBOUUPRFNLI-HNNXBMFYSA-N 1 2 380.286 2.393 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNc1cc(CO)cc[nH+]1 ZINC000641763161 653233072 /nfs/dbraw/zinc/23/30/72/653233072.db2.gz YXQCLQDOPDPNPO-NSHDSACASA-N 1 2 394.269 2.462 20 0 GEADLO C[C@@H](Nc1ncc(Cn2cc(Br)cn2)s1)[C@H]1C[N@H+](C)CCO1 ZINC000683749939 653239861 /nfs/dbraw/zinc/23/98/61/653239861.db2.gz DWZOCMMEMBNXSU-ZWNOBZJWSA-N 1 2 386.319 2.281 20 0 GEADLO C[C@@H](Nc1ncc(Cn2cc(Br)cn2)s1)[C@H]1C[N@@H+](C)CCO1 ZINC000683749939 653239866 /nfs/dbraw/zinc/23/98/66/653239866.db2.gz DWZOCMMEMBNXSU-ZWNOBZJWSA-N 1 2 386.319 2.281 20 0 GEADLO C[C@@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)[C@@H]1C[N@H+](C)CCO1 ZINC000684464160 653266943 /nfs/dbraw/zinc/26/69/43/653266943.db2.gz RDAMZHMGQBRKDW-NEPJUHHUSA-N 1 2 380.539 2.407 20 0 GEADLO C[C@@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)[C@@H]1C[N@@H+](C)CCO1 ZINC000684464160 653266951 /nfs/dbraw/zinc/26/69/51/653266951.db2.gz RDAMZHMGQBRKDW-NEPJUHHUSA-N 1 2 380.539 2.407 20 0 GEADLO C[C@H](N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684554754 653275708 /nfs/dbraw/zinc/27/57/08/653275708.db2.gz PFUSDJZTCAOLBZ-PKFCDNJMSA-N 1 2 396.340 2.011 20 0 GEADLO C[C@H](N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684554754 653275716 /nfs/dbraw/zinc/27/57/16/653275716.db2.gz PFUSDJZTCAOLBZ-PKFCDNJMSA-N 1 2 396.340 2.011 20 0 GEADLO Cn1ncc(C[NH2+]Cc2cc(Br)cc(Br)c2N)n1 ZINC000809720821 653291887 /nfs/dbraw/zinc/29/18/87/653291887.db2.gz NSLMRWCUKKWPEP-UHFFFAOYSA-N 1 2 375.068 2.212 20 0 GEADLO COCC[N@H+](Cc1cc(C)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000809763081 653294554 /nfs/dbraw/zinc/29/45/54/653294554.db2.gz IZHOSHGTDOSZCD-OAHLLOKOSA-N 1 2 376.316 2.393 20 0 GEADLO COCC[N@@H+](Cc1cc(C)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000809763081 653294562 /nfs/dbraw/zinc/29/45/62/653294562.db2.gz IZHOSHGTDOSZCD-OAHLLOKOSA-N 1 2 376.316 2.393 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)ccc1C(F)(F)F ZINC000685597490 653307105 /nfs/dbraw/zinc/30/71/05/653307105.db2.gz OORDNOGGBYAGKC-UHFFFAOYSA-N 1 2 380.432 2.091 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)ccc1C(F)(F)F ZINC000685597490 653307110 /nfs/dbraw/zinc/30/71/10/653307110.db2.gz OORDNOGGBYAGKC-UHFFFAOYSA-N 1 2 380.432 2.091 20 0 GEADLO C[C@@H]1CN(CCS(=O)(=O)CC[N@@H+]2CCC(F)(F)[C@H](C)C2)CCC1(F)F ZINC000810045501 653319125 /nfs/dbraw/zinc/31/91/25/653319125.db2.gz QNSYXGXAZBORBS-ZIAGYGMSSA-N 1 2 388.471 2.355 20 0 GEADLO C[C@@H]1CN(CCS(=O)(=O)CC[N@H+]2CCC(F)(F)[C@H](C)C2)CCC1(F)F ZINC000810045501 653319131 /nfs/dbraw/zinc/31/91/31/653319131.db2.gz QNSYXGXAZBORBS-ZIAGYGMSSA-N 1 2 388.471 2.355 20 0 GEADLO CN(OCC(F)(F)F)C(=O)CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000857428079 653323058 /nfs/dbraw/zinc/32/30/58/653323058.db2.gz NFNMUYWIOHKPOK-ZDUSSCGKSA-N 1 2 381.782 2.011 20 0 GEADLO O=S(=O)(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cncc(Br)c1 ZINC000715594554 653325377 /nfs/dbraw/zinc/32/53/77/653325377.db2.gz PVHIWTJBOMHKIU-HNNXBMFYSA-N 1 2 396.310 2.397 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)NCCNc2cccc[nH+]2)ccc1Br ZINC000775716951 653325394 /nfs/dbraw/zinc/32/53/94/653325394.db2.gz JIJNSNFIIZTSOJ-UHFFFAOYSA-N 1 2 398.282 2.437 20 0 GEADLO O=S(=O)(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cncc(Br)c1 ZINC000715594554 653325383 /nfs/dbraw/zinc/32/53/83/653325383.db2.gz PVHIWTJBOMHKIU-HNNXBMFYSA-N 1 2 396.310 2.397 20 0 GEADLO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000874847212 653339445 /nfs/dbraw/zinc/33/94/45/653339445.db2.gz MWOIJUQTYVKEBP-HZPDHXFCSA-N 1 2 382.913 2.341 20 0 GEADLO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000874847212 653339447 /nfs/dbraw/zinc/33/94/47/653339447.db2.gz MWOIJUQTYVKEBP-HZPDHXFCSA-N 1 2 382.913 2.341 20 0 GEADLO C[C@@]1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1(Br)Br ZINC000857940939 653343715 /nfs/dbraw/zinc/34/37/15/653343715.db2.gz XSYAUHLUVRTFHJ-KCJUWKMLSA-N 1 2 377.080 2.210 20 0 GEADLO O=C(CCNC(=O)c1cc(F)ccc1Br)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985994 653346027 /nfs/dbraw/zinc/34/60/27/653346027.db2.gz NECGAWVJYQPFGC-CYBMUJFWSA-N 1 2 395.232 2.166 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986757 653346528 /nfs/dbraw/zinc/34/65/28/653346528.db2.gz SCNSIGZVHHBURR-RKDXNWHRSA-N 1 2 383.271 2.087 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986755 653346863 /nfs/dbraw/zinc/34/68/63/653346863.db2.gz SCNSIGZVHHBURR-DTWKUNHWSA-N 1 2 383.271 2.087 20 0 GEADLO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cn(C)nc3Br)C2=O)cc1 ZINC000858160119 653351649 /nfs/dbraw/zinc/35/16/49/653351649.db2.gz FCFIFGOYMLCKNX-OAHLLOKOSA-N 1 2 377.286 2.382 20 0 GEADLO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1I ZINC000858323330 653359404 /nfs/dbraw/zinc/35/94/04/653359404.db2.gz HGYWDYWEWNLUDP-MRVPVSSYSA-N 1 2 382.629 2.443 20 0 GEADLO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000858577303 653368139 /nfs/dbraw/zinc/36/81/39/653368139.db2.gz BEJDVDQZCJEYQI-QWRGUYRKSA-N 1 2 396.289 2.397 20 0 GEADLO Cc1ccc(NC(=O)c2nn(C)cc2I)c(N(C)C)[nH+]1 ZINC000875486653 653372503 /nfs/dbraw/zinc/37/25/03/653372503.db2.gz YPJUZVBWXPJKMY-UHFFFAOYSA-N 1 2 385.209 2.046 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000875548252 653376245 /nfs/dbraw/zinc/37/62/45/653376245.db2.gz GHLNUDNATICIAK-OCCSQVGLSA-N 1 2 385.306 2.315 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000875548252 653376249 /nfs/dbraw/zinc/37/62/49/653376249.db2.gz GHLNUDNATICIAK-OCCSQVGLSA-N 1 2 385.306 2.315 20 0 GEADLO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cn2c(=O)oc3ccc(Cl)cc32)C1 ZINC000777566030 653401785 /nfs/dbraw/zinc/40/17/85/653401785.db2.gz ZHMMCRJXPSOHFZ-VIFPVBQESA-N 1 2 377.750 2.206 20 0 GEADLO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cn2c(=O)oc3ccc(Cl)cc32)C1 ZINC000777566030 653401787 /nfs/dbraw/zinc/40/17/87/653401787.db2.gz ZHMMCRJXPSOHFZ-VIFPVBQESA-N 1 2 377.750 2.206 20 0 GEADLO CC[C@H](C(=O)NC[C@H](O)c1ccccc1Br)[N@@H+]1CCO[C@H](CC)C1 ZINC000837197169 653410445 /nfs/dbraw/zinc/41/04/45/653410445.db2.gz BUGJBSHKRVZHCK-XYPHTWIQSA-N 1 2 399.329 2.488 20 0 GEADLO CC[C@H](C(=O)NC[C@H](O)c1ccccc1Br)[N@H+]1CCO[C@H](CC)C1 ZINC000837197169 653410451 /nfs/dbraw/zinc/41/04/51/653410451.db2.gz BUGJBSHKRVZHCK-XYPHTWIQSA-N 1 2 399.329 2.488 20 0 GEADLO COC[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1cccc(Br)c1 ZINC000876235746 653413090 /nfs/dbraw/zinc/41/30/90/653413090.db2.gz QPZBPVPUHBLJKJ-ZFWWWQNUSA-N 1 2 379.258 2.257 20 0 GEADLO C[C@@H]1C[N@H+](Cn2c(=O)oc3cc(I)ccc32)CCCO1 ZINC000777957141 653414220 /nfs/dbraw/zinc/41/42/20/653414220.db2.gz RGRIUAAXCVQFJZ-SNVBAGLBSA-N 1 2 388.205 2.267 20 0 GEADLO C[C@@H]1C[N@@H+](Cn2c(=O)oc3cc(I)ccc32)CCCO1 ZINC000777957141 653414223 /nfs/dbraw/zinc/41/42/23/653414223.db2.gz RGRIUAAXCVQFJZ-SNVBAGLBSA-N 1 2 388.205 2.267 20 0 GEADLO Cc1csc(C2([NH2+]CC(=O)Nc3cccc(S(C)(=O)=O)c3)CCC2)n1 ZINC000778128990 653431067 /nfs/dbraw/zinc/43/10/67/653431067.db2.gz REBSZHZHKCRSEF-UHFFFAOYSA-N 1 2 379.507 2.463 20 0 GEADLO O=C(/C=C/c1ccc(Br)o1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000778333079 653438396 /nfs/dbraw/zinc/43/83/96/653438396.db2.gz XCOASZJJHJNKIF-OMDKTOEGSA-N 1 2 399.285 2.005 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)c2ccnc(Cl)c2I)c1 ZINC000837716921 653464434 /nfs/dbraw/zinc/46/44/34/653464434.db2.gz WGOYAKLSNXPOOD-UHFFFAOYSA-N 1 2 390.612 2.046 20 0 GEADLO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000837716691 653464457 /nfs/dbraw/zinc/46/44/57/653464457.db2.gz DNBXBRHECSWLQQ-OAHLLOKOSA-N 1 2 390.285 2.375 20 0 GEADLO O=C(/C=C/c1ccc(I)o1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779094628 653466142 /nfs/dbraw/zinc/46/61/42/653466142.db2.gz DLAOOXBDGDFPRZ-XCRNYIDWSA-N 1 2 383.189 2.225 20 0 GEADLO O=C(COC(=O)[C@@H]1C[C@H]1C(F)(F)F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000838019919 653517974 /nfs/dbraw/zinc/51/79/74/653517974.db2.gz FFZYCRVCXBEVQR-CHWSQXEVSA-N 1 2 376.400 2.134 20 0 GEADLO O=C([O-])C[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000859791829 653561953 /nfs/dbraw/zinc/56/19/53/653561953.db2.gz WQQLQTIRIDZACE-HNNXBMFYSA-N 1 2 386.279 2.237 20 0 GEADLO O=C([O-])C[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000859791830 653568406 /nfs/dbraw/zinc/56/84/06/653568406.db2.gz WQQLQTIRIDZACE-OAHLLOKOSA-N 1 2 386.279 2.237 20 0 GEADLO C[N@@H+](Cc1cn(C[C@H]2CCCO2)nn1)C[C@@H](O)c1ccccc1Br ZINC000877577272 653612822 /nfs/dbraw/zinc/61/28/22/653612822.db2.gz VBVCHNYFZJWKGX-RHSMWYFYSA-N 1 2 395.301 2.385 20 0 GEADLO C[N@H+](Cc1cn(C[C@H]2CCCO2)nn1)C[C@@H](O)c1ccccc1Br ZINC000877577272 653612827 /nfs/dbraw/zinc/61/28/27/653612827.db2.gz VBVCHNYFZJWKGX-RHSMWYFYSA-N 1 2 395.301 2.385 20 0 GEADLO C[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C[C@@H](O)c1cccc(Br)c1 ZINC000877588469 653613517 /nfs/dbraw/zinc/61/35/17/653613517.db2.gz QOTCXRKORVMEFK-DLBZAZTESA-N 1 2 395.301 2.385 20 0 GEADLO C[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C[C@@H](O)c1cccc(Br)c1 ZINC000877588469 653613520 /nfs/dbraw/zinc/61/35/20/653613520.db2.gz QOTCXRKORVMEFK-DLBZAZTESA-N 1 2 395.301 2.385 20 0 GEADLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cccc(F)c2I)C1 ZINC000877626466 653614547 /nfs/dbraw/zinc/61/45/47/653614547.db2.gz WBHNYDDSOIGQSY-LLVKDONJSA-N 1 2 390.196 2.457 20 0 GEADLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cccc(F)c2I)C1 ZINC000877626466 653614550 /nfs/dbraw/zinc/61/45/50/653614550.db2.gz WBHNYDDSOIGQSY-LLVKDONJSA-N 1 2 390.196 2.457 20 0 GEADLO COC(=O)c1ccc(C[NH2+]Cc2c(I)cnn2C)cc1 ZINC000877776474 653619363 /nfs/dbraw/zinc/61/93/63/653619363.db2.gz MBXHOHWIBLNUHH-UHFFFAOYSA-N 1 2 385.205 2.101 20 0 GEADLO COc1cc(C[NH+]2CCC(c3nnnn3C)CC2)c(F)cc1Br ZINC000877780169 653619648 /nfs/dbraw/zinc/61/96/48/653619648.db2.gz VCUHGNMQMAUNKR-UHFFFAOYSA-N 1 2 384.253 2.500 20 0 GEADLO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000877943390 653624087 /nfs/dbraw/zinc/62/40/87/653624087.db2.gz GGDFEIASGGIPLD-LVQVYYBASA-N 1 2 382.551 2.357 20 0 GEADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C[C@@H](O)c1cc(Br)no1 ZINC000877945966 653624159 /nfs/dbraw/zinc/62/41/59/653624159.db2.gz QALZSLNCBMVPCS-CYBMUJFWSA-N 1 2 398.257 2.440 20 0 GEADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@@H](O)c1cc(Br)no1 ZINC000877945966 653624162 /nfs/dbraw/zinc/62/41/62/653624162.db2.gz QALZSLNCBMVPCS-CYBMUJFWSA-N 1 2 398.257 2.440 20 0 GEADLO Cn1ncc(Br)c1CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000878056696 653627222 /nfs/dbraw/zinc/62/72/22/653627222.db2.gz UFKNPCHIGPYQOI-UHFFFAOYSA-N 1 2 378.274 2.037 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878169107 653630568 /nfs/dbraw/zinc/63/05/68/653630568.db2.gz KBJVMPQLTKXKHB-QWRGUYRKSA-N 1 2 390.278 2.412 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878169107 653630571 /nfs/dbraw/zinc/63/05/71/653630571.db2.gz KBJVMPQLTKXKHB-QWRGUYRKSA-N 1 2 390.278 2.412 20 0 GEADLO CC(C)(C)n1cc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(Br)n1 ZINC000780674299 653630582 /nfs/dbraw/zinc/63/05/82/653630582.db2.gz CJQBVKBENXXJPY-ZDUSSCGKSA-N 1 2 399.333 2.337 20 0 GEADLO C[N@H+](C[C@@H](O)c1cc(Br)no1)[C@H]1CCN(c2ccccc2)C1=O ZINC000878243741 653632409 /nfs/dbraw/zinc/63/24/09/653632409.db2.gz HNFITERUAVKLHY-QWHCGFSZSA-N 1 2 380.242 2.208 20 0 GEADLO C[N@@H+](C[C@@H](O)c1cc(Br)no1)[C@H]1CCN(c2ccccc2)C1=O ZINC000878243741 653632415 /nfs/dbraw/zinc/63/24/15/653632415.db2.gz HNFITERUAVKLHY-QWHCGFSZSA-N 1 2 380.242 2.208 20 0 GEADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H]2CSCCS2)CC1 ZINC000781117093 653638174 /nfs/dbraw/zinc/63/81/74/653638174.db2.gz IMNNHSDWODKAQG-QGZVFWFLSA-N 1 2 379.551 2.138 20 0 GEADLO Cn1ccn2c(C[N@@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)nnc2c1=O ZINC000878646762 653643530 /nfs/dbraw/zinc/64/35/30/653643530.db2.gz HPQZPDJTQSCZIG-AWEZNQCLSA-N 1 2 375.885 2.448 20 0 GEADLO Cn1ccn2c(C[N@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)nnc2c1=O ZINC000878646762 653643533 /nfs/dbraw/zinc/64/35/33/653643533.db2.gz HPQZPDJTQSCZIG-AWEZNQCLSA-N 1 2 375.885 2.448 20 0 GEADLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878685991 653644533 /nfs/dbraw/zinc/64/45/33/653644533.db2.gz RBMDFWBMIQLKNT-UWVGGRQHSA-N 1 2 386.212 2.287 20 0 GEADLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878685991 653644536 /nfs/dbraw/zinc/64/45/36/653644536.db2.gz RBMDFWBMIQLKNT-UWVGGRQHSA-N 1 2 386.212 2.287 20 0 GEADLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1scnc1Cl ZINC000878690005 653644750 /nfs/dbraw/zinc/64/47/50/653644750.db2.gz KJDDRSNABPDGCD-UHFFFAOYSA-N 1 2 379.866 2.094 20 0 GEADLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1scnc1Cl ZINC000878690005 653644754 /nfs/dbraw/zinc/64/47/54/653644754.db2.gz KJDDRSNABPDGCD-UHFFFAOYSA-N 1 2 379.866 2.094 20 0 GEADLO CC(C)c1n[nH]c(CC2CC[NH+](CCn3cnc(Br)n3)CC2)n1 ZINC000878798366 653648033 /nfs/dbraw/zinc/64/80/33/653648033.db2.gz ZFGSOIOCOIMYCC-UHFFFAOYSA-N 1 2 382.310 2.237 20 0 GEADLO CC(C)c1nnc(CC2CC[NH+](CCn3cnc(Br)n3)CC2)[nH]1 ZINC000878798366 653648035 /nfs/dbraw/zinc/64/80/35/653648035.db2.gz ZFGSOIOCOIMYCC-UHFFFAOYSA-N 1 2 382.310 2.237 20 0 GEADLO CC(C)c1nc(CC2CC[NH+](CCn3cnc(Br)n3)CC2)n[nH]1 ZINC000878798366 653648036 /nfs/dbraw/zinc/64/80/36/653648036.db2.gz ZFGSOIOCOIMYCC-UHFFFAOYSA-N 1 2 382.310 2.237 20 0 GEADLO Cn1ccnc1[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)CO ZINC000878875495 653650456 /nfs/dbraw/zinc/65/04/56/653650456.db2.gz ILZXCPCJZIHMNV-HNNXBMFYSA-N 1 2 385.917 2.197 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cnn(C)c2Cl)s1 ZINC000815120460 653652772 /nfs/dbraw/zinc/65/27/72/653652772.db2.gz IXFSVFMYQIXVCM-UHFFFAOYSA-N 1 2 376.935 2.455 20 0 GEADLO CC(C)[C@H]([NH2+]CC(=O)N=[S@](C)(=O)N(C)C)[C@@H](O)c1ccc(Cl)cc1 ZINC000878996432 653654654 /nfs/dbraw/zinc/65/46/54/653654654.db2.gz JGOVXUKPLRYPNH-YWTKSJFSSA-N 1 2 375.922 2.089 20 0 GEADLO Cc1cn2cc(NC(=O)c3cnn(C)c3I)ccc2[nH+]1 ZINC000815226804 653655349 /nfs/dbraw/zinc/65/53/49/653655349.db2.gz RSORPNAVRUUXBZ-UHFFFAOYSA-N 1 2 381.177 2.233 20 0 GEADLO NC(=O)[C@H](F)C1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000879041629 653656337 /nfs/dbraw/zinc/65/63/37/653656337.db2.gz IJVLXAQUKSDCDO-CYBMUJFWSA-N 1 2 376.213 2.327 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000839602989 653657326 /nfs/dbraw/zinc/65/73/26/653657326.db2.gz VYRKUIMQKUFFJB-AWEZNQCLSA-N 1 2 378.416 2.287 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000839602989 653657327 /nfs/dbraw/zinc/65/73/27/653657327.db2.gz VYRKUIMQKUFFJB-AWEZNQCLSA-N 1 2 378.416 2.287 20 0 GEADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839639930 653659155 /nfs/dbraw/zinc/65/91/55/653659155.db2.gz KGONOEYWFSUAMN-GWCFXTLKSA-N 1 2 395.305 2.009 20 0 GEADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839639930 653659157 /nfs/dbraw/zinc/65/91/57/653659157.db2.gz KGONOEYWFSUAMN-GWCFXTLKSA-N 1 2 395.305 2.009 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c(Cl)cc1Cl ZINC000782478840 653662111 /nfs/dbraw/zinc/66/21/11/653662111.db2.gz VJDCHFVCDHFZHO-UHFFFAOYSA-N 1 2 390.248 2.222 20 0 GEADLO OC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)s3)o2)[C@@H]1CO ZINC000879361427 653666856 /nfs/dbraw/zinc/66/68/56/653666856.db2.gz DHTYJDZFERTWFW-VHSXEESVSA-N 1 2 388.287 2.126 20 0 GEADLO OC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)s3)o2)[C@@H]1CO ZINC000879361427 653666857 /nfs/dbraw/zinc/66/68/57/653666857.db2.gz DHTYJDZFERTWFW-VHSXEESVSA-N 1 2 388.287 2.126 20 0 GEADLO O[C@@H](C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1)c1cc(Br)no1 ZINC000879502381 653671098 /nfs/dbraw/zinc/67/10/98/653671098.db2.gz GQIJRBJMPNWMSX-OLZOCXBDSA-N 1 2 379.258 2.350 20 0 GEADLO O[C@@H](C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1)c1cc(Br)no1 ZINC000879502381 653671099 /nfs/dbraw/zinc/67/10/99/653671099.db2.gz GQIJRBJMPNWMSX-OLZOCXBDSA-N 1 2 379.258 2.350 20 0 GEADLO COCC[N@H+](Cc1nnnn1-c1ccccc1Br)C1CCOCC1 ZINC000879707935 653679798 /nfs/dbraw/zinc/67/97/98/653679798.db2.gz KGNDCUPAEUXOCW-UHFFFAOYSA-N 1 2 396.289 2.052 20 0 GEADLO COCC[N@@H+](Cc1nnnn1-c1ccccc1Br)C1CCOCC1 ZINC000879707935 653679800 /nfs/dbraw/zinc/67/98/00/653679800.db2.gz KGNDCUPAEUXOCW-UHFFFAOYSA-N 1 2 396.289 2.052 20 0 GEADLO O=C(CCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21)c1ccc(Br)cc1 ZINC000879724531 653680279 /nfs/dbraw/zinc/68/02/79/653680279.db2.gz GRUYRUCNFKYNGW-DLBZAZTESA-N 1 2 395.297 2.391 20 0 GEADLO O=C(CCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21)c1ccc(Br)cc1 ZINC000879724531 653680281 /nfs/dbraw/zinc/68/02/81/653680281.db2.gz GRUYRUCNFKYNGW-DLBZAZTESA-N 1 2 395.297 2.391 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C)c(F)cc1Br ZINC000862250371 653682031 /nfs/dbraw/zinc/68/20/31/653682031.db2.gz JFBOUVOPVUHZRJ-LBPRGKRZSA-N 1 2 379.295 2.410 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C)c(F)cc1Br ZINC000862250371 653682033 /nfs/dbraw/zinc/68/20/33/653682033.db2.gz JFBOUVOPVUHZRJ-LBPRGKRZSA-N 1 2 379.295 2.410 20 0 GEADLO O=C(OCCCn1cc[nH+]c1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000783728169 653683322 /nfs/dbraw/zinc/68/33/22/653683322.db2.gz CTHZYAZHASJEEU-UHFFFAOYSA-N 1 2 383.857 2.324 20 0 GEADLO COC(=O)c1cccc(Br)c1C[NH+]1CCC(c2nnnn2C)CC1 ZINC000879916367 653687037 /nfs/dbraw/zinc/68/70/37/653687037.db2.gz LOJAKZUXYCFRHC-UHFFFAOYSA-N 1 2 394.273 2.139 20 0 GEADLO Cc1sc(Br)nc1C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000840569006 653689709 /nfs/dbraw/zinc/68/97/09/653689709.db2.gz XIQWWXILHYWHQI-UHFFFAOYSA-N 1 2 376.320 2.397 20 0 GEADLO C[C@H]1C[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H](C(F)(F)F)O1 ZINC000880054328 653695206 /nfs/dbraw/zinc/69/52/06/653695206.db2.gz DDBDCJJPBAWSOC-SWLSCSKDSA-N 1 2 380.432 2.479 20 0 GEADLO C[C@H]1C[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H](C(F)(F)F)O1 ZINC000880054328 653695209 /nfs/dbraw/zinc/69/52/09/653695209.db2.gz DDBDCJJPBAWSOC-SWLSCSKDSA-N 1 2 380.432 2.479 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccc(Cl)c(Cl)c1 ZINC000863038521 653700857 /nfs/dbraw/zinc/70/08/57/653700857.db2.gz WFQLGLWKUPZJNJ-VXGBXAGGSA-N 1 2 389.308 2.269 20 0 GEADLO Cc1cc(CNS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc(C)[nH+]1 ZINC000817140906 653702586 /nfs/dbraw/zinc/70/25/86/653702586.db2.gz ANOPGBBVLKETII-UHFFFAOYSA-N 1 2 388.898 2.234 20 0 GEADLO CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3ccccc3Br)C[C@@H]2C1 ZINC000880308964 653703220 /nfs/dbraw/zinc/70/32/20/653703220.db2.gz QBSZUQQZPVHDTO-FPMFFAJLSA-N 1 2 380.286 2.186 20 0 GEADLO CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ccccc3Br)C[C@@H]2C1 ZINC000880308964 653703221 /nfs/dbraw/zinc/70/32/21/653703221.db2.gz QBSZUQQZPVHDTO-FPMFFAJLSA-N 1 2 380.286 2.186 20 0 GEADLO C[C@@H](C[N@H+](C)Cn1cc(I)cn1)NC(=O)OC(C)(C)C ZINC000863333438 653707003 /nfs/dbraw/zinc/70/70/03/653707003.db2.gz SIQSOZPTAZRGGV-JTQLQIEISA-N 1 2 394.257 2.290 20 0 GEADLO C[C@@H](C[N@@H+](C)Cn1cc(I)cn1)NC(=O)OC(C)(C)C ZINC000863333438 653707005 /nfs/dbraw/zinc/70/70/05/653707005.db2.gz SIQSOZPTAZRGGV-JTQLQIEISA-N 1 2 394.257 2.290 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000863443421 653713177 /nfs/dbraw/zinc/71/31/77/653713177.db2.gz NPXDLWOTVGYNGA-NSHDSACASA-N 1 2 386.861 2.329 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cnc(Br)c(Cl)c1 ZINC000841332966 653713287 /nfs/dbraw/zinc/71/32/87/653713287.db2.gz WCLYEMUKMGYDJB-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO CC[N@H+](CC(=O)NCCCC1N=NC(=S)N1C)Cc1ccccc1Cl ZINC000818193848 653727607 /nfs/dbraw/zinc/72/76/07/653727607.db2.gz RUUZUWPDUVGMFR-UHFFFAOYSA-N 1 2 381.933 2.328 20 0 GEADLO CC[N@@H+](CC(=O)NCCCC1N=NC(=S)N1C)Cc1ccccc1Cl ZINC000818193848 653727608 /nfs/dbraw/zinc/72/76/08/653727608.db2.gz RUUZUWPDUVGMFR-UHFFFAOYSA-N 1 2 381.933 2.328 20 0 GEADLO COC1CC[NH+](Cc2cn(C[C@@H](O)c3ccccc3Br)nn2)CC1 ZINC000881417682 653730309 /nfs/dbraw/zinc/73/03/09/653730309.db2.gz AGIFNANKURBRHH-QGZVFWFLSA-N 1 2 395.301 2.385 20 0 GEADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000841574533 653736952 /nfs/dbraw/zinc/73/69/52/653736952.db2.gz XQTABBJSCJPEHP-QWRGUYRKSA-N 1 2 389.930 2.025 20 0 GEADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000841574533 653736955 /nfs/dbraw/zinc/73/69/55/653736955.db2.gz XQTABBJSCJPEHP-QWRGUYRKSA-N 1 2 389.930 2.025 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)C3=COCCO3)cc2Br)CC1 ZINC000787390492 653738095 /nfs/dbraw/zinc/73/80/95/653738095.db2.gz URFWCHCQOFRKFN-UHFFFAOYSA-N 1 2 382.258 2.028 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)Nc1cc2c(cc1Br)OCCO2 ZINC000864656892 653742947 /nfs/dbraw/zinc/74/29/47/653742947.db2.gz KQUXKLVFMPVCPX-UPHRSURJSA-N 1 2 383.242 2.047 20 0 GEADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc(Br)cnc1Br ZINC000842045956 653744210 /nfs/dbraw/zinc/74/42/10/653744210.db2.gz NBYWIOWWKXIZPB-UWVGGRQHSA-N 1 2 393.123 2.498 20 0 GEADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc(Br)cnc1Br ZINC000842045956 653744211 /nfs/dbraw/zinc/74/42/11/653744211.db2.gz NBYWIOWWKXIZPB-UWVGGRQHSA-N 1 2 393.123 2.498 20 0 GEADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000864807981 653745672 /nfs/dbraw/zinc/74/56/72/653745672.db2.gz AHNJUQAHKQTNAW-HNNXBMFYSA-N 1 2 375.226 2.272 20 0 GEADLO NC(=O)c1c(NC(=O)C[N@@H+]2CCSC[C@@H]2C2CCC2)sc2c1CCC2 ZINC000842171498 653747039 /nfs/dbraw/zinc/74/70/39/653747039.db2.gz SPTCGSAASLKUAL-CYBMUJFWSA-N 1 2 379.551 2.492 20 0 GEADLO NC(=O)c1c(NC(=O)C[N@H+]2CCSC[C@@H]2C2CCC2)sc2c1CCC2 ZINC000842171498 653747042 /nfs/dbraw/zinc/74/70/42/653747042.db2.gz SPTCGSAASLKUAL-CYBMUJFWSA-N 1 2 379.551 2.492 20 0 GEADLO COc1cc(I)ccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000864884981 653747816 /nfs/dbraw/zinc/74/78/16/653747816.db2.gz QXLVDPZYJFTNHT-JTQLQIEISA-N 1 2 385.205 2.315 20 0 GEADLO Cn1cc(I)c(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)n1 ZINC000819353092 653749587 /nfs/dbraw/zinc/74/95/87/653749587.db2.gz ABGHFRNZZUFJHS-CYBMUJFWSA-N 1 2 393.175 2.126 20 0 GEADLO Cn1cc(I)c(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)n1 ZINC000819353193 653749774 /nfs/dbraw/zinc/74/97/74/653749774.db2.gz AQNCMSCFWNTZMU-CYBMUJFWSA-N 1 2 393.175 2.126 20 0 GEADLO CCS(=O)(=O)CCNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000819476224 653751293 /nfs/dbraw/zinc/75/12/93/653751293.db2.gz XSXRZMOYNNJTLM-UHFFFAOYSA-N 1 2 390.347 2.048 20 0 GEADLO C[C@H](CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1)S(C)(=O)=O ZINC000819475760 653751317 /nfs/dbraw/zinc/75/13/17/653751317.db2.gz UDBYEHYVVSUBJE-GFCCVEGCSA-N 1 2 390.347 2.046 20 0 GEADLO CCOCC[C@@H](O)CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000819476254 653751513 /nfs/dbraw/zinc/75/15/13/653751513.db2.gz YCLCDOCDHNGKLR-OAHLLOKOSA-N 1 2 386.334 2.400 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccncc2)c1 ZINC000842482660 653757997 /nfs/dbraw/zinc/75/79/97/653757997.db2.gz UNQYHUVJZURPDC-INIZCTEOSA-N 1 2 379.869 2.273 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000819897845 653761040 /nfs/dbraw/zinc/76/10/40/653761040.db2.gz VATPUAXMZPEADG-SNVBAGLBSA-N 1 2 396.220 2.382 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000819897845 653761042 /nfs/dbraw/zinc/76/10/42/653761042.db2.gz VATPUAXMZPEADG-SNVBAGLBSA-N 1 2 396.220 2.382 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000819901298 653761246 /nfs/dbraw/zinc/76/12/46/653761246.db2.gz YGUSRCWNPCZRKL-UHFFFAOYSA-N 1 2 382.313 2.120 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000842640696 653761545 /nfs/dbraw/zinc/76/15/45/653761545.db2.gz BAPHHSFDBKXMRK-CQSZACIVSA-N 1 2 377.750 2.206 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000842640696 653761549 /nfs/dbraw/zinc/76/15/49/653761549.db2.gz BAPHHSFDBKXMRK-CQSZACIVSA-N 1 2 377.750 2.206 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3nc(Br)ccc3F)C2=O)n(C)n1 ZINC000788662803 653762512 /nfs/dbraw/zinc/76/25/12/653762512.db2.gz DPRKLHMJACFQMU-JQWIXIFHSA-N 1 2 396.264 2.481 20 0 GEADLO Cc1ccc(Br)c(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000865427236 653765177 /nfs/dbraw/zinc/76/51/77/653765177.db2.gz BFYOFNLOAYUWCP-UHFFFAOYSA-N 1 2 388.273 2.156 20 0 GEADLO COc1cc(C[NH2+]Cc2nccc(C)c2Br)ccc1OCC(N)=O ZINC000865433910 653765361 /nfs/dbraw/zinc/76/53/61/653765361.db2.gz OUHJXKOHQVYUSJ-UHFFFAOYSA-N 1 2 394.269 2.315 20 0 GEADLO C[C@](CO)([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1ccc(Br)cc1 ZINC000865564491 653768673 /nfs/dbraw/zinc/76/86/73/653768673.db2.gz GAHZVNRIVYGDJW-DLBZAZTESA-N 1 2 395.301 2.217 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(F)cc1Cl ZINC000842962508 653774819 /nfs/dbraw/zinc/77/48/19/653774819.db2.gz HWGMGQFEPNLICB-TZMCWYRMSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(F)cc1Cl ZINC000842962508 653774820 /nfs/dbraw/zinc/77/48/20/653774820.db2.gz HWGMGQFEPNLICB-TZMCWYRMSA-N 1 2 375.824 2.137 20 0 GEADLO C[C@@H](c1cccs1)[N@H+](C)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820570070 653776954 /nfs/dbraw/zinc/77/69/54/653776954.db2.gz DCYLMAMHIHKHDC-LBPRGKRZSA-N 1 2 377.495 2.395 20 0 GEADLO C[C@@H](c1cccs1)[N@@H+](C)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820570070 653776956 /nfs/dbraw/zinc/77/69/56/653776956.db2.gz DCYLMAMHIHKHDC-LBPRGKRZSA-N 1 2 377.495 2.395 20 0 GEADLO COc1ccc(C[NH2+]Cc2c(I)cnn2C)cc1OC ZINC000865868678 653777981 /nfs/dbraw/zinc/77/79/81/653777981.db2.gz UPDOHPFODGFTJJ-UHFFFAOYSA-N 1 2 387.221 2.332 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)no1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000865942002 653780804 /nfs/dbraw/zinc/78/08/04/653780804.db2.gz MJXFCQXBURZJTA-IUODEOHRSA-N 1 2 394.269 2.456 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)no1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000865942002 653780808 /nfs/dbraw/zinc/78/08/08/653780808.db2.gz MJXFCQXBURZJTA-IUODEOHRSA-N 1 2 394.269 2.456 20 0 GEADLO COCC[NH2+]Cc1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000843227873 653781909 /nfs/dbraw/zinc/78/19/09/653781909.db2.gz KJYQWOYQMPMHKR-UHFFFAOYSA-N 1 2 379.218 2.020 20 0 GEADLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2cccc3scnc32)C[C@H](C)O1 ZINC000820782502 653782728 /nfs/dbraw/zinc/78/27/28/653782728.db2.gz MRJWIWPBHBUOKB-STQMWFEESA-N 1 2 383.539 2.462 20 0 GEADLO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC000820792735 653783516 /nfs/dbraw/zinc/78/35/16/653783516.db2.gz GUYRLDVZDUJCRI-GFCCVEGCSA-N 1 2 391.320 2.314 20 0 GEADLO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC000820792735 653783519 /nfs/dbraw/zinc/78/35/19/653783519.db2.gz GUYRLDVZDUJCRI-GFCCVEGCSA-N 1 2 391.320 2.314 20 0 GEADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)cs1 ZINC000820810085 653784466 /nfs/dbraw/zinc/78/44/66/653784466.db2.gz OKMIAGIRLPYDJN-NWDGAFQWSA-N 1 2 381.523 2.376 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000843433489 653787033 /nfs/dbraw/zinc/78/70/33/653787033.db2.gz BAEIXJSDYOIKKP-ONGXEEELSA-N 1 2 385.283 2.415 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000843433489 653787035 /nfs/dbraw/zinc/78/70/35/653787035.db2.gz BAEIXJSDYOIKKP-ONGXEEELSA-N 1 2 385.283 2.415 20 0 GEADLO Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000790157842 653787418 /nfs/dbraw/zinc/78/74/18/653787418.db2.gz MQMAYOXRIRCHAN-UHFFFAOYSA-N 1 2 381.263 2.428 20 0 GEADLO Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000790157842 653787422 /nfs/dbraw/zinc/78/74/22/653787422.db2.gz MQMAYOXRIRCHAN-UHFFFAOYSA-N 1 2 381.263 2.428 20 0 GEADLO CO[C@@]1(C(F)(F)F)CCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000882631922 653792212 /nfs/dbraw/zinc/79/22/12/653792212.db2.gz PFLISAXTDUTDMW-HNNXBMFYSA-N 1 2 378.416 2.016 20 0 GEADLO CO[C@@]1(C(F)(F)F)CCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000882631922 653792215 /nfs/dbraw/zinc/79/22/15/653792215.db2.gz PFLISAXTDUTDMW-HNNXBMFYSA-N 1 2 378.416 2.016 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@@H]1Cc1ccccc1 ZINC000790458043 653792522 /nfs/dbraw/zinc/79/25/22/653792522.db2.gz BCWLDSSENIFEAW-KRWDZBQOSA-N 1 2 379.913 2.424 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@@H]1Cc1ccccc1 ZINC000790458043 653792526 /nfs/dbraw/zinc/79/25/26/653792526.db2.gz BCWLDSSENIFEAW-KRWDZBQOSA-N 1 2 379.913 2.424 20 0 GEADLO CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)Nc3ccc(C)cc3Br)C[C@@H]2C1 ZINC000821328635 653794800 /nfs/dbraw/zinc/79/48/00/653794800.db2.gz MIMIENVCBQYVLR-YUELXQCFSA-N 1 2 394.313 2.495 20 0 GEADLO CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)Nc3ccc(C)cc3Br)C[C@@H]2C1 ZINC000821328635 653794801 /nfs/dbraw/zinc/79/48/01/653794801.db2.gz MIMIENVCBQYVLR-YUELXQCFSA-N 1 2 394.313 2.495 20 0 GEADLO COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)c2ccc(Br)s2)C[C@@H]1C ZINC000844022797 653799297 /nfs/dbraw/zinc/79/92/97/653799297.db2.gz RFBHXOXRXYEBHE-PHIMTYICSA-N 1 2 389.315 2.261 20 0 GEADLO COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)c2ccc(Br)s2)C[C@@H]1C ZINC000844022797 653799301 /nfs/dbraw/zinc/79/93/01/653799301.db2.gz RFBHXOXRXYEBHE-PHIMTYICSA-N 1 2 389.315 2.261 20 0 GEADLO Cc1cc(OS(=O)(=O)CCC[NH+]2CCOCC2)cc(C)c1Br ZINC000790892847 653800251 /nfs/dbraw/zinc/80/02/51/653800251.db2.gz LEOBZSLKRSUZOI-UHFFFAOYSA-N 1 2 392.315 2.497 20 0 GEADLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1 ZINC000882735329 653801301 /nfs/dbraw/zinc/80/13/01/653801301.db2.gz CRPLXVUWUBTAQN-UHFFFAOYSA-N 1 2 389.949 2.388 20 0 GEADLO O=C(c1cc(F)c(Br)cc1F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000866545650 653801538 /nfs/dbraw/zinc/80/15/38/653801538.db2.gz ONPXDZCFIVCHBX-JTQLQIEISA-N 1 2 375.213 2.274 20 0 GEADLO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Br)cc(F)c1O ZINC000866609207 653806152 /nfs/dbraw/zinc/80/61/52/653806152.db2.gz JRLCJHIJYFYJIA-GFCCVEGCSA-N 1 2 387.249 2.277 20 0 GEADLO CC(=O)N[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000866745089 653818445 /nfs/dbraw/zinc/81/84/45/653818445.db2.gz UMDPLZYCMIBJAR-MRXNPFEDSA-N 1 2 393.285 2.372 20 0 GEADLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)nc1F ZINC000866762710 653821035 /nfs/dbraw/zinc/82/10/35/653821035.db2.gz ZQCWVXKQDBVEJI-LBPRGKRZSA-N 1 2 385.848 2.218 20 0 GEADLO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@H]1CCc2c[nH+]cn2C1 ZINC000883027209 653823073 /nfs/dbraw/zinc/82/30/73/653823073.db2.gz SNLSGCVJVRZTJW-VIFPVBQESA-N 1 2 391.225 2.178 20 0 GEADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCn2c(Br)cnc2C1 ZINC000822440061 653828321 /nfs/dbraw/zinc/82/83/21/653828321.db2.gz SVMFSDHQWITUPC-VIFPVBQESA-N 1 2 392.179 2.378 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)NCC[C@@H]1CCCS1(=O)=O)c1ccsc1 ZINC000883114394 653828344 /nfs/dbraw/zinc/82/83/44/653828344.db2.gz TXLDIIIFCADMDG-JKSUJKDBSA-N 1 2 387.571 2.398 20 0 GEADLO Cn1cc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c(I)n1 ZINC000895389245 653831893 /nfs/dbraw/zinc/83/18/93/653831893.db2.gz NHNCHYWPTJTWOP-UHFFFAOYSA-N 1 2 399.158 2.067 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCOc3c(Br)cccc3C2)CCO1 ZINC000792069895 653833719 /nfs/dbraw/zinc/83/37/19/653833719.db2.gz VXWHIYLEDAWLDO-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCOc3c(Br)cccc3C2)CCO1 ZINC000792069895 653833722 /nfs/dbraw/zinc/83/37/22/653833722.db2.gz VXWHIYLEDAWLDO-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO Cc1coc(C[NH+]2CCN(c3ncc(I)cn3)CC2)c1 ZINC000895439095 653834486 /nfs/dbraw/zinc/83/44/86/653834486.db2.gz WDSPDDJJYGOSHN-UHFFFAOYSA-N 1 2 384.221 2.305 20 0 GEADLO O=C1NCCn2c(C[NH2+][C@@H]3CCSc4ccc(Br)cc43)nnc21 ZINC000883303266 653834885 /nfs/dbraw/zinc/83/48/85/653834885.db2.gz TWOIABIMILUPBR-LLVKDONJSA-N 1 2 394.298 2.111 20 0 GEADLO O=C1NCCn2c(C[NH2+][C@@H]3CCc4c3cc(Br)cc4Cl)nnc21 ZINC000883304473 653835156 /nfs/dbraw/zinc/83/51/56/653835156.db2.gz XXWSZNRARDLGCA-GFCCVEGCSA-N 1 2 396.676 2.215 20 0 GEADLO COC(=O)c1cc(C[NH2+]Cc2c(I)cnn2C)cs1 ZINC000895465819 653836459 /nfs/dbraw/zinc/83/64/59/653836459.db2.gz UQODHAUJBMRDPF-UHFFFAOYSA-N 1 2 391.234 2.163 20 0 GEADLO Cn1cc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)c(I)n1 ZINC000895512749 653839164 /nfs/dbraw/zinc/83/91/64/653839164.db2.gz RSPDJTNCLMKVKD-OTVXOJSOSA-N 1 2 383.233 2.165 20 0 GEADLO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)N=S2(=O)CCCC2)[C@@H]1c1cccs1 ZINC000866863450 653839946 /nfs/dbraw/zinc/83/99/46/653839946.db2.gz ACJSXZDGOKAFRN-DZGCQCFKSA-N 1 2 391.584 2.227 20 0 GEADLO C[N@H+]1CCC[C@@H](CNS(=O)(=O)N=S2(=O)CCCC2)[C@@H]1c1cccs1 ZINC000866863450 653839948 /nfs/dbraw/zinc/83/99/48/653839948.db2.gz ACJSXZDGOKAFRN-DZGCQCFKSA-N 1 2 391.584 2.227 20 0 GEADLO CS(=O)(=O)c1ccc2ncnc(N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)c2c1 ZINC000895568804 653841409 /nfs/dbraw/zinc/84/14/09/653841409.db2.gz KIZVIOKKIIEUGX-CVEARBPZSA-N 1 2 378.523 2.025 20 0 GEADLO CS(=O)(=O)c1ccc2ncnc(N[C@@H]3CCC[N@H+]4CCSC[C@@H]34)c2c1 ZINC000895568804 653841412 /nfs/dbraw/zinc/84/14/12/653841412.db2.gz KIZVIOKKIIEUGX-CVEARBPZSA-N 1 2 378.523 2.025 20 0 GEADLO Cc1cn(C(C)(C)C(=O)Nc2nc(CC3N=NC(=S)N3C)cs2)c[nH+]1 ZINC000895626256 653843796 /nfs/dbraw/zinc/84/37/96/653843796.db2.gz OJNZZQZIRYBIID-UHFFFAOYSA-N 1 2 377.499 2.030 20 0 GEADLO Brc1cnc([C@H]2CCCN2c2cc[nH+]c(N3CCOCC3)n2)nc1 ZINC000895712910 653847370 /nfs/dbraw/zinc/84/73/70/653847370.db2.gz HUNORAUCXNWVQY-CYBMUJFWSA-N 1 2 391.273 2.207 20 0 GEADLO C[C@@H](CC(=O)OCCc1cnc2c(Br)cnn2c1)n1cc[nH+]c1 ZINC000845577545 653855695 /nfs/dbraw/zinc/85/56/95/653855695.db2.gz WAGMODZUBADEHO-NSHDSACASA-N 1 2 378.230 2.425 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)nc1Br ZINC000792965989 653857955 /nfs/dbraw/zinc/85/79/55/653857955.db2.gz CYZSIIRMGDNMCV-UHFFFAOYSA-N 1 2 392.257 2.104 20 0 GEADLO COc1cc(Br)c(C[NH2+][C@H]2CS(=O)(=O)C2(C)C)cc1OC ZINC000895979631 653859678 /nfs/dbraw/zinc/85/96/78/653859678.db2.gz LIMADHINWVDEFG-ZDUSSCGKSA-N 1 2 378.288 2.132 20 0 GEADLO OC1CC[NH+](Cc2cn(Cc3ccc(Br)c(F)c3F)nn2)CC1 ZINC000883992157 653860041 /nfs/dbraw/zinc/86/00/41/653860041.db2.gz DSUOEANPWLZZOH-UHFFFAOYSA-N 1 2 387.228 2.324 20 0 GEADLO C[N@H+](CCCO)C1CCN(C(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000867011776 653865586 /nfs/dbraw/zinc/86/55/86/653865586.db2.gz FVOBCWINIFELBL-UHFFFAOYSA-N 1 2 389.265 2.213 20 0 GEADLO C[N@@H+](CCCO)C1CCN(C(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000867011776 653865590 /nfs/dbraw/zinc/86/55/90/653865590.db2.gz FVOBCWINIFELBL-UHFFFAOYSA-N 1 2 389.265 2.213 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000867014710 653866123 /nfs/dbraw/zinc/86/61/23/653866123.db2.gz KGDDSKSHFUNFTC-VIFPVBQESA-N 1 2 383.886 2.256 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000793252895 653872598 /nfs/dbraw/zinc/87/25/98/653872598.db2.gz KCLYVMWUIIBZJY-LBPRGKRZSA-N 1 2 392.253 2.321 20 0 GEADLO O=C1NC[C@H](O)CC12CCN(c1cc[nH+]c3c(Br)cccc13)CC2 ZINC000896336488 653875036 /nfs/dbraw/zinc/87/50/36/653875036.db2.gz MSFWATCBPOQORB-GFCCVEGCSA-N 1 2 390.281 2.465 20 0 GEADLO C[C@@](O)(C(=O)N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(F)c(Br)c1 ZINC000823635379 653875042 /nfs/dbraw/zinc/87/50/42/653875042.db2.gz XXYSRHQQQBNSQV-BZNIZROVSA-N 1 2 382.233 2.123 20 0 GEADLO C[C@H](NC(=O)[C@@H]1CCc2cc(Br)ccc21)[C@H]1CN(C)CC[N@@H+]1C ZINC000896532176 653882567 /nfs/dbraw/zinc/88/25/67/653882567.db2.gz AIOKOTIUXJYUTH-JCURWCKSSA-N 1 2 380.330 2.229 20 0 GEADLO C[C@H](NC(=O)[C@@H]1CCc2cc(Br)ccc21)[C@H]1CN(C)CC[N@H+]1C ZINC000896532176 653882569 /nfs/dbraw/zinc/88/25/69/653882569.db2.gz AIOKOTIUXJYUTH-JCURWCKSSA-N 1 2 380.330 2.229 20 0 GEADLO Cc1ncc(I)c(NC[C@H]2CC[N@@H+]2C2CCOCC2)n1 ZINC000896528376 653882602 /nfs/dbraw/zinc/88/26/02/653882602.db2.gz VBBATPFQFQTFFH-GFCCVEGCSA-N 1 2 388.253 2.055 20 0 GEADLO Cc1ncc(I)c(NC[C@H]2CC[N@H+]2C2CCOCC2)n1 ZINC000896528376 653882604 /nfs/dbraw/zinc/88/26/04/653882604.db2.gz VBBATPFQFQTFFH-GFCCVEGCSA-N 1 2 388.253 2.055 20 0 GEADLO Cc1ccc(Br)c(CS(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000867128636 653884202 /nfs/dbraw/zinc/88/42/02/653884202.db2.gz AILGIVKHPFFJIK-ZDUSSCGKSA-N 1 2 384.299 2.388 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)cc2cccnc21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896554966 653885032 /nfs/dbraw/zinc/88/50/32/653885032.db2.gz XXESNXSVLVIHTJ-LRDDRELGSA-N 1 2 391.313 2.361 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)cc2cccnc21)[C@@H]1CN(C)CC[N@H+]1C ZINC000896554966 653885033 /nfs/dbraw/zinc/88/50/33/653885033.db2.gz XXESNXSVLVIHTJ-LRDDRELGSA-N 1 2 391.313 2.361 20 0 GEADLO CCC(CC)(CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)SC ZINC000793861683 653886897 /nfs/dbraw/zinc/88/68/97/653886897.db2.gz PBGIHUNJGVJANE-UHFFFAOYSA-N 1 2 383.583 2.260 20 0 GEADLO CCC(CC)(CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)SC ZINC000793861683 653886898 /nfs/dbraw/zinc/88/68/98/653886898.db2.gz PBGIHUNJGVJANE-UHFFFAOYSA-N 1 2 383.583 2.260 20 0 GEADLO Cc1[nH]c(CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)[nH+]c1C ZINC000896905676 653898950 /nfs/dbraw/zinc/89/89/50/653898950.db2.gz JRHGGOUKCHLPOG-CYBMUJFWSA-N 1 2 378.226 2.187 20 0 GEADLO O=C(c1cccc2[nH+]ccn21)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000794360014 653905135 /nfs/dbraw/zinc/90/51/35/653905135.db2.gz HOTKYYGXAZVRTI-INIZCTEOSA-N 1 2 399.248 2.410 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)c3ccns3)CC2)cs1 ZINC000885006965 653905727 /nfs/dbraw/zinc/90/57/27/653905727.db2.gz FFCLFINYWMMQMR-UHFFFAOYSA-N 1 2 386.568 2.353 20 0 GEADLO C[C@H]1[C@H](NS(=O)(=O)c2nc[nH]c2Br)CC[N@@H+]1Cc1ccccc1 ZINC000867272833 653907252 /nfs/dbraw/zinc/90/72/52/653907252.db2.gz NULOGPFMCHJLTJ-WCQYABFASA-N 1 2 399.314 2.114 20 0 GEADLO C[C@H]1[C@H](NS(=O)(=O)c2nc[nH]c2Br)CC[N@H+]1Cc1ccccc1 ZINC000867272833 653907255 /nfs/dbraw/zinc/90/72/55/653907255.db2.gz NULOGPFMCHJLTJ-WCQYABFASA-N 1 2 399.314 2.114 20 0 GEADLO Nc1nc(CN2CC[NH+](CC3(Br)CC3)CC2)nc2ccccc12 ZINC000846816381 653910858 /nfs/dbraw/zinc/91/08/58/653910858.db2.gz FUTIMBUEZJDTPA-UHFFFAOYSA-N 1 2 376.302 2.257 20 0 GEADLO Cc1cnc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(I)c1 ZINC000897219842 653911084 /nfs/dbraw/zinc/91/10/84/653911084.db2.gz OWKROEAFOIBPGY-UONOGXRCSA-N 1 2 387.265 2.030 20 0 GEADLO Cc1cnc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(I)c1 ZINC000897219842 653911089 /nfs/dbraw/zinc/91/10/89/653911089.db2.gz OWKROEAFOIBPGY-UONOGXRCSA-N 1 2 387.265 2.030 20 0 GEADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000794653827 653915668 /nfs/dbraw/zinc/91/56/68/653915668.db2.gz BAMWDEJTLXOVIW-MWLCHTKSSA-N 1 2 375.372 2.269 20 0 GEADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000794653827 653915673 /nfs/dbraw/zinc/91/56/73/653915673.db2.gz BAMWDEJTLXOVIW-MWLCHTKSSA-N 1 2 375.372 2.269 20 0 GEADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](CO)c2ccc(Br)cc2)[nH]n1 ZINC000897327417 653916393 /nfs/dbraw/zinc/91/63/93/653916393.db2.gz HOSTZNRBTIURDF-HZPDHXFCSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](CO)c2ccc(Br)cc2)[nH]n1 ZINC000897327417 653916397 /nfs/dbraw/zinc/91/63/97/653916397.db2.gz HOSTZNRBTIURDF-HZPDHXFCSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](CO)c2cccc(Br)c2)[nH]n1 ZINC000897329325 653916733 /nfs/dbraw/zinc/91/67/33/653916733.db2.gz JXCRZIXXNUMNTO-JKSUJKDBSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](CO)c2cccc(Br)c2)[nH]n1 ZINC000897329325 653916734 /nfs/dbraw/zinc/91/67/34/653916734.db2.gz JXCRZIXXNUMNTO-JKSUJKDBSA-N 1 2 393.285 2.402 20 0 GEADLO Nc1cc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc(Br)n1 ZINC000825208535 653921094 /nfs/dbraw/zinc/92/10/94/653921094.db2.gz NXBYLFCESTVCFD-UHFFFAOYSA-N 1 2 391.269 2.090 20 0 GEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000847381565 653926363 /nfs/dbraw/zinc/92/63/63/653926363.db2.gz ANDYGCLWXKMSLB-CQSZACIVSA-N 1 2 384.889 2.029 20 0 GEADLO CN(C)c1cc(N[C@H](CO)c2ccccc2I)[nH+]cn1 ZINC000897558330 653927132 /nfs/dbraw/zinc/92/71/32/653927132.db2.gz YHUMDPHHMXKWFE-GFCCVEGCSA-N 1 2 384.221 2.293 20 0 GEADLO CN(C)c1cc(N[C@H](CO)c2ccccc2I)nc[nH+]1 ZINC000897558330 653927136 /nfs/dbraw/zinc/92/71/36/653927136.db2.gz YHUMDPHHMXKWFE-GFCCVEGCSA-N 1 2 384.221 2.293 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cnc(Cl)c(Br)c1)[NH+]1CCOCC1 ZINC000847447769 653929053 /nfs/dbraw/zinc/92/90/53/653929053.db2.gz UGIMRNCKZNTTQT-VHSXEESVSA-N 1 2 376.682 2.337 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000795094099 653930103 /nfs/dbraw/zinc/93/01/03/653930103.db2.gz UVAMGKRVEVQVBK-UHFFFAOYSA-N 1 2 389.949 2.047 20 0 GEADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCCCn2cc(Br)cn2)[nH]n1 ZINC000897615407 653930578 /nfs/dbraw/zinc/93/05/78/653930578.db2.gz RVCYETCMKMWKPC-OAHLLOKOSA-N 1 2 395.305 2.346 20 0 GEADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCCCn2cc(Br)cn2)[nH]n1 ZINC000897615407 653930581 /nfs/dbraw/zinc/93/05/81/653930581.db2.gz RVCYETCMKMWKPC-OAHLLOKOSA-N 1 2 395.305 2.346 20 0 GEADLO O=S1(=O)C[C@H]2C[N@H+](CC3=Cc4cc(Br)ccc4OC3)C[C@H]2C1 ZINC000897619179 653930712 /nfs/dbraw/zinc/93/07/12/653930712.db2.gz QOSRXRYFSZQJOU-OKILXGFUSA-N 1 2 384.295 2.201 20 0 GEADLO O=S1(=O)C[C@H]2C[N@@H+](CC3=Cc4cc(Br)ccc4OC3)C[C@H]2C1 ZINC000897619179 653930717 /nfs/dbraw/zinc/93/07/17/653930717.db2.gz QOSRXRYFSZQJOU-OKILXGFUSA-N 1 2 384.295 2.201 20 0 GEADLO O=C(Nc1nc(-c2cccs2)ns1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000897658059 653932100 /nfs/dbraw/zinc/93/21/00/653932100.db2.gz XPABXIDMYVJVLE-NEPJUHHUSA-N 1 2 380.495 2.085 20 0 GEADLO O=C(c1cnc(Cl)c(Br)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000847530163 653932828 /nfs/dbraw/zinc/93/28/28/653932828.db2.gz QRHBSAAPPQWZBA-LBPRGKRZSA-N 1 2 388.693 2.434 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000847540248 653933112 /nfs/dbraw/zinc/93/31/12/653933112.db2.gz ZTGRTSZWJJZSJP-LLVKDONJSA-N 1 2 385.873 2.304 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000847540248 653933118 /nfs/dbraw/zinc/93/31/18/653933118.db2.gz ZTGRTSZWJJZSJP-LLVKDONJSA-N 1 2 385.873 2.304 20 0 GEADLO CCNC(=O)C[NH+]1CCN(c2nccc3ccc(Br)cc32)CC1 ZINC000825566705 653933651 /nfs/dbraw/zinc/93/36/51/653933651.db2.gz NSLGCOQMXYSQFA-UHFFFAOYSA-N 1 2 377.286 2.255 20 0 GEADLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000847568105 653935088 /nfs/dbraw/zinc/93/50/88/653935088.db2.gz VXAYJAGDBXYQIW-GWCFXTLKSA-N 1 2 376.400 2.193 20 0 GEADLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000847568105 653935090 /nfs/dbraw/zinc/93/50/90/653935090.db2.gz VXAYJAGDBXYQIW-GWCFXTLKSA-N 1 2 376.400 2.193 20 0 GEADLO Cc1cc(F)cc(Br)c1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000795294710 653943452 /nfs/dbraw/zinc/94/34/52/653943452.db2.gz UJMGVQNOAHZJKU-UHFFFAOYSA-N 1 2 396.278 2.328 20 0 GEADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H](O)c2ccccc2Br)[nH]n1 ZINC000897942190 653945460 /nfs/dbraw/zinc/94/54/60/653945460.db2.gz GJKBISOCCOWJBX-HZPDHXFCSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H](O)c2ccccc2Br)[nH]n1 ZINC000897942190 653945462 /nfs/dbraw/zinc/94/54/62/653945462.db2.gz GJKBISOCCOWJBX-HZPDHXFCSA-N 1 2 393.285 2.402 20 0 GEADLO COC(=O)c1oc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)cc1C ZINC000897977911 653947039 /nfs/dbraw/zinc/94/70/39/653947039.db2.gz IHBXHIBSCVFCKB-GFCCVEGCSA-N 1 2 394.225 2.185 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)cc(Br)c1C ZINC000898081977 653952654 /nfs/dbraw/zinc/95/26/54/653952654.db2.gz YIUJFYVLXKKVFI-CYBMUJFWSA-N 1 2 384.205 2.065 20 0 GEADLO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](CN2Cc3c(cccc3Cl)C2=O)C1 ZINC000795449541 653953716 /nfs/dbraw/zinc/95/37/16/653953716.db2.gz UZPJKLWJLHKGAW-JTQLQIEISA-N 1 2 375.778 2.254 20 0 GEADLO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](CN2Cc3c(cccc3Cl)C2=O)C1 ZINC000795449541 653953718 /nfs/dbraw/zinc/95/37/18/653953718.db2.gz UZPJKLWJLHKGAW-JTQLQIEISA-N 1 2 375.778 2.254 20 0 GEADLO Cc1nc(SCC(C)C)sc1CC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000826711953 653958191 /nfs/dbraw/zinc/95/81/91/653958191.db2.gz CKESNKZSIRFNQF-CQSZACIVSA-N 1 2 384.615 2.494 20 0 GEADLO O=C(NCCN1CC[NH+](CCSC(F)(F)F)CC1)c1ccccc1F ZINC000886016873 653965741 /nfs/dbraw/zinc/96/57/41/653965741.db2.gz NIKHJLREBDCFTQ-UHFFFAOYSA-N 1 2 379.423 2.426 20 0 GEADLO Cc1cc(C)c(C(=O)N2CCn3ncc(I)c3C2)c(C)[nH+]1 ZINC000886196994 653969108 /nfs/dbraw/zinc/96/91/08/653969108.db2.gz IWUPLUDPLHXQKI-UHFFFAOYSA-N 1 2 396.232 2.464 20 0 GEADLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000826994443 653969860 /nfs/dbraw/zinc/96/98/60/653969860.db2.gz HQPXJGPHBPTEAJ-GFCCVEGCSA-N 1 2 383.242 2.247 20 0 GEADLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000826994443 653969866 /nfs/dbraw/zinc/96/98/66/653969866.db2.gz HQPXJGPHBPTEAJ-GFCCVEGCSA-N 1 2 383.242 2.247 20 0 GEADLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000826994444 653969914 /nfs/dbraw/zinc/96/99/14/653969914.db2.gz HQPXJGPHBPTEAJ-LBPRGKRZSA-N 1 2 383.242 2.247 20 0 GEADLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000826994444 653969920 /nfs/dbraw/zinc/96/99/20/653969920.db2.gz HQPXJGPHBPTEAJ-LBPRGKRZSA-N 1 2 383.242 2.247 20 0 GEADLO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CC1(Br)Br ZINC000898506638 653974314 /nfs/dbraw/zinc/97/43/14/653974314.db2.gz GBOKGNFQECWDCK-KOLCDFICSA-N 1 2 386.103 2.433 20 0 GEADLO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CC1(Br)Br ZINC000898506638 653974321 /nfs/dbraw/zinc/97/43/21/653974321.db2.gz GBOKGNFQECWDCK-KOLCDFICSA-N 1 2 386.103 2.433 20 0 GEADLO CCc1nn(C)cc1C[NH2+][C@@H](CO)c1ccccc1I ZINC000898511791 653974767 /nfs/dbraw/zinc/97/47/67/653974767.db2.gz FXOYZDUAGOMAJE-HNNXBMFYSA-N 1 2 385.249 2.410 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCCCCn2cc[nH+]c2)c(F)cc1Cl ZINC000795918992 653977480 /nfs/dbraw/zinc/97/74/80/653977480.db2.gz SWVZEOKSDLOGSJ-UHFFFAOYSA-N 1 2 389.836 2.221 20 0 GEADLO COC(=O)[C@@](C)(NC(=O)Cc1[nH]c[nH+]c1C)c1cccc(Br)c1 ZINC000886434766 653985556 /nfs/dbraw/zinc/98/55/56/653985556.db2.gz MZKNNKMUPFSRRY-INIZCTEOSA-N 1 2 380.242 2.228 20 0 GEADLO COc1cc(I)ccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000898809793 653987364 /nfs/dbraw/zinc/98/73/64/653987364.db2.gz FHWJXKZTQCIHDO-NSHDSACASA-N 1 2 383.189 2.371 20 0 GEADLO CSc1nc(NC2CC[NH+](CCS(C)(=O)=O)CC2)cc(C(F)F)n1 ZINC000848663318 653990225 /nfs/dbraw/zinc/99/02/25/653990225.db2.gz HZEWGNDMESIYQI-UHFFFAOYSA-N 1 2 380.486 2.057 20 0 GEADLO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898886964 653990953 /nfs/dbraw/zinc/99/09/53/653990953.db2.gz HKGYHXGDVNKIIQ-SMDDNHRTSA-N 1 2 394.269 2.241 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cc(Br)ccc1OC(F)F ZINC000898891450 653990961 /nfs/dbraw/zinc/99/09/61/653990961.db2.gz IXOMODVYHRPNRJ-SNVBAGLBSA-N 1 2 390.184 2.247 20 0 GEADLO CC(C)(C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)c1ccccc1Br ZINC000899062663 653997803 /nfs/dbraw/zinc/99/78/03/653997803.db2.gz WODKQXQFWKYNJD-UHFFFAOYSA-N 1 2 397.313 2.292 20 0 GEADLO CC(C)(C(=O)NCC[N@H+]1CCC2(C1)OCCO2)c1ccccc1Br ZINC000899062663 653997807 /nfs/dbraw/zinc/99/78/07/653997807.db2.gz WODKQXQFWKYNJD-UHFFFAOYSA-N 1 2 397.313 2.292 20 0 GEADLO O=C(C[N@H+]1CC[C@](CO)(C(F)(F)F)C1)NCCOc1ccc(Cl)cc1 ZINC000886793764 654000298 /nfs/dbraw/zinc/00/02/98/654000298.db2.gz SWACOXJWYLNWSQ-HNNXBMFYSA-N 1 2 380.794 2.082 20 0 GEADLO O=C(C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1)NCCOc1ccc(Cl)cc1 ZINC000886793764 654000302 /nfs/dbraw/zinc/00/03/02/654000302.db2.gz SWACOXJWYLNWSQ-HNNXBMFYSA-N 1 2 380.794 2.082 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886800696 654000770 /nfs/dbraw/zinc/00/07/70/654000770.db2.gz AYLMEHLAIQTDPU-OAHLLOKOSA-N 1 2 380.794 2.212 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886800696 654000773 /nfs/dbraw/zinc/00/07/73/654000773.db2.gz AYLMEHLAIQTDPU-OAHLLOKOSA-N 1 2 380.794 2.212 20 0 GEADLO Cn1c(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc2cc(Br)cnc21 ZINC000899220925 654005137 /nfs/dbraw/zinc/00/51/37/654005137.db2.gz SAGMNYOVFGUBOV-CYBMUJFWSA-N 1 2 383.265 2.500 20 0 GEADLO Cn1c(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc2cc(Br)cnc21 ZINC000899220925 654005138 /nfs/dbraw/zinc/00/51/38/654005138.db2.gz SAGMNYOVFGUBOV-CYBMUJFWSA-N 1 2 383.265 2.500 20 0 GEADLO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899236873 654005885 /nfs/dbraw/zinc/00/58/85/654005885.db2.gz WLZKWLRPHOCPLX-RKDXNWHRSA-N 1 2 377.198 2.245 20 0 GEADLO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899236873 654005891 /nfs/dbraw/zinc/00/58/91/654005891.db2.gz WLZKWLRPHOCPLX-RKDXNWHRSA-N 1 2 377.198 2.245 20 0 GEADLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C)cnc1Cl ZINC000886885066 654006906 /nfs/dbraw/zinc/00/69/06/654006906.db2.gz GQDCEZYZUYOPMB-AWEZNQCLSA-N 1 2 381.885 2.387 20 0 GEADLO Cc1cc(I)cc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c1 ZINC000827911085 654012873 /nfs/dbraw/zinc/01/28/73/654012873.db2.gz QJFGOPPUQHLBCG-CQSZACIVSA-N 1 2 396.232 2.109 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000868055571 654016466 /nfs/dbraw/zinc/01/64/66/654016466.db2.gz KYNMWGXRQTVKIL-KLWIRTJPSA-N 1 2 394.313 2.107 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000868082179 654017299 /nfs/dbraw/zinc/01/72/99/654017299.db2.gz ATIDSPSBKMCXMP-YUKKFKLSSA-N 1 2 385.233 2.026 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCCSC(F)(F)F)CC1 ZINC000868108930 654018555 /nfs/dbraw/zinc/01/85/55/654018555.db2.gz RBSFONCQLWADKE-UHFFFAOYSA-N 1 2 385.452 2.345 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2noc(-c3c(F)cccc3Cl)n2)CC1 ZINC000828070395 654020710 /nfs/dbraw/zinc/02/07/10/654020710.db2.gz GGXWQLZDYFKRLW-VWLOTQADSA-N 1 2 386.880 2.025 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ncccc2Br)C1 ZINC000849390409 654021498 /nfs/dbraw/zinc/02/14/98/654021498.db2.gz NVIXARJKXAGMPW-NSHDSACASA-N 1 2 385.287 2.146 20 0 GEADLO CN(C)C(=O)CNC(=S)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000797410804 654030635 /nfs/dbraw/zinc/03/06/35/654030635.db2.gz JBSUEIQVIQYTOF-UHFFFAOYSA-N 1 2 379.917 2.001 20 0 GEADLO CNC(=O)[C@@]1(C)CC[N@H+](Cn2nc(C)n(CCc3cccs3)c2=S)C1 ZINC000797414174 654030654 /nfs/dbraw/zinc/03/06/54/654030654.db2.gz MDSJIPWCLKIPEM-KRWDZBQOSA-N 1 2 379.555 2.442 20 0 GEADLO CNC(=O)[C@@]1(C)CC[N@@H+](Cn2nc(C)n(CCc3cccs3)c2=S)C1 ZINC000797414174 654030656 /nfs/dbraw/zinc/03/06/56/654030656.db2.gz MDSJIPWCLKIPEM-KRWDZBQOSA-N 1 2 379.555 2.442 20 0 GEADLO COCC[N@H+](C)Cc1cn([C@@H]2CCOc3ccc(Br)cc32)nn1 ZINC000899739296 654031006 /nfs/dbraw/zinc/03/10/06/654031006.db2.gz IBPXFDZSNJNTRL-OAHLLOKOSA-N 1 2 381.274 2.491 20 0 GEADLO COCC[N@@H+](C)Cc1cn([C@@H]2CCOc3ccc(Br)cc32)nn1 ZINC000899739296 654031008 /nfs/dbraw/zinc/03/10/08/654031008.db2.gz IBPXFDZSNJNTRL-OAHLLOKOSA-N 1 2 381.274 2.491 20 0 GEADLO O=C(NCc1ccc(Br)cn1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000868435569 654035656 /nfs/dbraw/zinc/03/56/56/654035656.db2.gz ACZXVTWAIRRHBI-CQSZACIVSA-N 1 2 376.258 2.317 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000887693695 654045342 /nfs/dbraw/zinc/04/53/42/654045342.db2.gz XQSNYAYDWMUKPM-UHFFFAOYSA-N 1 2 379.448 2.326 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H](O)c1cccc(Br)c1 ZINC000900135322 654051559 /nfs/dbraw/zinc/05/15/59/654051559.db2.gz QUBSDUVQERDTEE-MRXNPFEDSA-N 1 2 378.270 2.374 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)[C@]2(C)CC2(Br)Br)CCO1 ZINC000849965494 654062959 /nfs/dbraw/zinc/06/29/59/654062959.db2.gz AYMRFXHGKJPDLL-ONGXEEELSA-N 1 2 385.096 2.146 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)[C@]2(C)CC2(Br)Br)CCO1 ZINC000849965494 654062964 /nfs/dbraw/zinc/06/29/64/654062964.db2.gz AYMRFXHGKJPDLL-ONGXEEELSA-N 1 2 385.096 2.146 20 0 GEADLO NS(=O)(=O)c1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)ccc1Cl ZINC000798317947 654058359 /nfs/dbraw/zinc/05/83/59/654058359.db2.gz NHWAJRDAXJBMBH-UHFFFAOYSA-N 1 2 376.825 2.425 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)[C@@]2(C)CC2(Br)Br)CCO1 ZINC000849965491 654063093 /nfs/dbraw/zinc/06/30/93/654063093.db2.gz AYMRFXHGKJPDLL-GXSJLCMTSA-N 1 2 385.096 2.146 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)[C@@]2(C)CC2(Br)Br)CCO1 ZINC000849965491 654063098 /nfs/dbraw/zinc/06/30/98/654063098.db2.gz AYMRFXHGKJPDLL-GXSJLCMTSA-N 1 2 385.096 2.146 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@]1(C)CC1(Br)Br ZINC000849969345 654064133 /nfs/dbraw/zinc/06/41/33/654064133.db2.gz ZLNBZSCDFQJRGN-MWLCHTKSSA-N 1 2 385.096 2.146 20 0 GEADLO Cn1ccnc1[C@](O)(C[NH2+]Cc1c(F)cncc1Br)C(F)(F)F ZINC000850135561 654067010 /nfs/dbraw/zinc/06/70/10/654067010.db2.gz SNRJAHJBYDYKRU-GFCCVEGCSA-N 1 2 397.170 2.256 20 0 GEADLO O=C(NCc1cn2c([nH+]1)CCCC2)NCC1(n2cc(Br)cn2)CC1 ZINC000916341171 654092189 /nfs/dbraw/zinc/09/21/89/654092189.db2.gz AACLESVZCXRIMJ-UHFFFAOYSA-N 1 2 393.289 2.167 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCC=C(Br)C2)cc1 ZINC000799326965 654092263 /nfs/dbraw/zinc/09/22/63/654092263.db2.gz FPOMDGKYIQILAW-UHFFFAOYSA-N 1 2 389.315 2.300 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CCC=C(Br)C2)cc1 ZINC000799326965 654092267 /nfs/dbraw/zinc/09/22/67/654092267.db2.gz FPOMDGKYIQILAW-UHFFFAOYSA-N 1 2 389.315 2.300 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@@H+]2CCN1CCC2)c1c(Cl)cccc1C(F)(F)F ZINC000917050154 654112118 /nfs/dbraw/zinc/11/21/18/654112118.db2.gz AJNYPEBYHQEQTH-NSHDSACASA-N 1 2 397.850 2.027 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@H+]2CCN1CCC2)c1c(Cl)cccc1C(F)(F)F ZINC000917050154 654112124 /nfs/dbraw/zinc/11/21/24/654112124.db2.gz AJNYPEBYHQEQTH-NSHDSACASA-N 1 2 397.850 2.027 20 0 GEADLO C[C@H]([C@H](C)NC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F)[NH+]1CCOCC1 ZINC000889193587 654128464 /nfs/dbraw/zinc/12/84/64/654128464.db2.gz OTEPCJGIZHVKMT-DTWKUNHWSA-N 1 2 383.802 2.323 20 0 GEADLO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800138665 654131783 /nfs/dbraw/zinc/13/17/83/654131783.db2.gz MAPVVDWKFDEEBG-NWDGAFQWSA-N 1 2 389.279 2.376 20 0 GEADLO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800138665 654131788 /nfs/dbraw/zinc/13/17/88/654131788.db2.gz MAPVVDWKFDEEBG-NWDGAFQWSA-N 1 2 389.279 2.376 20 0 GEADLO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800138648 654131937 /nfs/dbraw/zinc/13/19/37/654131937.db2.gz MAPVVDWKFDEEBG-NEPJUHHUSA-N 1 2 389.279 2.376 20 0 GEADLO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800138648 654131940 /nfs/dbraw/zinc/13/19/40/654131940.db2.gz MAPVVDWKFDEEBG-NEPJUHHUSA-N 1 2 389.279 2.376 20 0 GEADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870075091 654142417 /nfs/dbraw/zinc/14/24/17/654142417.db2.gz OXBOUWBAZYQCRE-ZBFHGGJFSA-N 1 2 384.929 2.380 20 0 GEADLO COc1ccc([C@@H]2CN(C(=O)CSc3n[nH]c(=S)s3)CC[NH2+]2)cc1 ZINC000870142903 654146375 /nfs/dbraw/zinc/14/63/75/654146375.db2.gz OPEGQZSEBHBQLU-LBPRGKRZSA-N 1 2 382.536 2.101 20 0 GEADLO COc1cccc([C@@H]2CN(C(=O)CSc3n[nH]c(=S)s3)CC[NH2+]2)c1 ZINC000870151032 654146969 /nfs/dbraw/zinc/14/69/69/654146969.db2.gz SGKMMRZILZDUES-LBPRGKRZSA-N 1 2 382.536 2.101 20 0 GEADLO CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000918838962 654163990 /nfs/dbraw/zinc/16/39/90/654163990.db2.gz OPUMCRXXYAYTKM-DEOSSOPVSA-N 1 2 384.527 2.281 20 0 GEADLO CCN(CC)S(=O)(=O)N1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000851719228 654172269 /nfs/dbraw/zinc/17/22/69/654172269.db2.gz IFOOLCCSOBSMEE-UHFFFAOYSA-N 1 2 382.555 2.043 20 0 GEADLO Cc1cccc(-n2ccn(C[N@H+]3C[C@@H](C)[C@H](CS(N)(=O)=O)C3)c2=S)c1 ZINC000902603940 654186901 /nfs/dbraw/zinc/18/69/01/654186901.db2.gz JLGWBOJJAGROPO-CABCVRRESA-N 1 2 380.539 2.131 20 0 GEADLO Cc1cccc(-n2ccn(C[N@@H+]3C[C@@H](C)[C@H](CS(N)(=O)=O)C3)c2=S)c1 ZINC000902603940 654186911 /nfs/dbraw/zinc/18/69/11/654186911.db2.gz JLGWBOJJAGROPO-CABCVRRESA-N 1 2 380.539 2.131 20 0 GEADLO O=C(c1nnc(-c2ccns2)o1)N1CC[NH+](CCc2cccs2)CC1 ZINC000902822462 654199053 /nfs/dbraw/zinc/19/90/53/654199053.db2.gz BJRRIMFOOWYOGD-UHFFFAOYSA-N 1 2 375.479 2.255 20 0 GEADLO C[C@H](C(=O)NCC(=O)c1sc2ccccc2c1Cl)N1CC[NH+](C)CC1 ZINC000831682420 654199343 /nfs/dbraw/zinc/19/93/43/654199343.db2.gz VIZGNRQCAIGCNL-GFCCVEGCSA-N 1 2 379.913 2.490 20 0 GEADLO O=C(Cn1cc[nH+]c1)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000870888840 654204349 /nfs/dbraw/zinc/20/43/49/654204349.db2.gz QZSVUPVRQOWJRM-GFCCVEGCSA-N 1 2 379.258 2.103 20 0 GEADLO O=C(CCn1cc[nH+]c1)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000870890176 654205255 /nfs/dbraw/zinc/20/52/55/654205255.db2.gz IKLGVRBGXOLOIO-CYBMUJFWSA-N 1 2 393.285 2.493 20 0 GEADLO COC(=O)C1=NOC2(C1)CC[NH+](Cc1cc(Br)cnc1OC)CC2 ZINC000851920970 654206093 /nfs/dbraw/zinc/20/60/93/654206093.db2.gz IJKFHLRKEDMMKF-UHFFFAOYSA-N 1 2 398.257 2.137 20 0 GEADLO C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000870943842 654211647 /nfs/dbraw/zinc/21/16/47/654211647.db2.gz WZEFPZSCJIDFPM-KSSFIOAISA-N 1 2 392.297 2.318 20 0 GEADLO Cc1nc2sccn2c(=O)c1CC[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000852020174 654213255 /nfs/dbraw/zinc/21/32/55/654213255.db2.gz SCUNDKVINFYDFW-UHFFFAOYSA-N 1 2 375.881 2.464 20 0 GEADLO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1cnn(C)c1Br ZINC000903116354 654217704 /nfs/dbraw/zinc/21/77/04/654217704.db2.gz HKPCSJJTLVWTIJ-UHFFFAOYSA-N 1 2 387.303 2.353 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802242757 654224349 /nfs/dbraw/zinc/22/43/49/654224349.db2.gz PVEVOSPVQBETRL-VHSXEESVSA-N 1 2 393.278 2.216 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802242757 654224353 /nfs/dbraw/zinc/22/43/53/654224353.db2.gz PVEVOSPVQBETRL-VHSXEESVSA-N 1 2 393.278 2.216 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802242758 654224399 /nfs/dbraw/zinc/22/43/99/654224399.db2.gz PVEVOSPVQBETRL-ZJUUUORDSA-N 1 2 393.278 2.216 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802242758 654224403 /nfs/dbraw/zinc/22/44/03/654224403.db2.gz PVEVOSPVQBETRL-ZJUUUORDSA-N 1 2 393.278 2.216 20 0 GEADLO COC(=O)c1cnc([C@H](C)[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)s1 ZINC000903189220 654225394 /nfs/dbraw/zinc/22/53/94/654225394.db2.gz STGZTUQSDOHBOZ-NSHDSACASA-N 1 2 389.543 2.221 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000903208378 654226926 /nfs/dbraw/zinc/22/69/26/654226926.db2.gz JXCYBHWMSPAUFQ-LLVKDONJSA-N 1 2 393.292 2.249 20 0 GEADLO C[C@H]([NH2+]Cc1nc(CN(C)C)cs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903227980 654229424 /nfs/dbraw/zinc/22/94/24/654229424.db2.gz XQRARIDRLMAIPI-ZDUSSCGKSA-N 1 2 382.555 2.306 20 0 GEADLO COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)Cc1c[nH+]cn1C ZINC000871396670 654232473 /nfs/dbraw/zinc/23/24/73/654232473.db2.gz LDFRNSDODMYMPR-ZDUSSCGKSA-N 1 2 386.271 2.159 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(CO)c1cccc(Br)c1 ZINC000890630444 654233247 /nfs/dbraw/zinc/23/32/47/654233247.db2.gz NRUBLCOKPYMKIM-CPUCHLNUSA-N 1 2 378.270 2.310 20 0 GEADLO C[C@](CO)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc(Br)c1 ZINC000890631751 654234416 /nfs/dbraw/zinc/23/44/16/654234416.db2.gz HRUIETVAKCNQEQ-YVEFUNNKSA-N 1 2 378.270 2.232 20 0 GEADLO C[C@@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1cc2n(n1)CCC2 ZINC000903326499 654234401 /nfs/dbraw/zinc/23/44/01/654234401.db2.gz QUEOKFVOKUTYNP-YMTOWFKASA-N 1 2 376.258 2.201 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc3onc(Cl)c3c2)n1 ZINC000921093157 654235751 /nfs/dbraw/zinc/23/57/51/654235751.db2.gz LWNMPDFTIMIFOY-UHFFFAOYSA-N 1 2 386.886 2.478 20 0 GEADLO O=C(NC1CC[NH+](CN2Cc3ccc(Br)cc3C2=O)CC1)C1CC1 ZINC000802726002 654237099 /nfs/dbraw/zinc/23/70/99/654237099.db2.gz PJLNVZQZHUMOHR-UHFFFAOYSA-N 1 2 392.297 2.353 20 0 GEADLO C[C@@H]1CS(=O)(=O)CCCN1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000921173032 654237451 /nfs/dbraw/zinc/23/74/51/654237451.db2.gz CULAXDKNDHGPJQ-CZUORRHYSA-N 1 2 387.933 2.161 20 0 GEADLO O=S1(=O)CCC(C[NH+]2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC000852491167 654244496 /nfs/dbraw/zinc/24/44/96/654244496.db2.gz XRNVSGGREPECME-UHFFFAOYSA-N 1 2 387.343 2.396 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000852495436 654244674 /nfs/dbraw/zinc/24/46/74/654244674.db2.gz KXBMNQSZQPDPHZ-XHDPSFHLSA-N 1 2 381.270 2.336 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000852495436 654244678 /nfs/dbraw/zinc/24/46/78/654244678.db2.gz KXBMNQSZQPDPHZ-XHDPSFHLSA-N 1 2 381.270 2.336 20 0 GEADLO Cc1ccnc(C[NH+]2CCC(n3nncc3I)CC2)c1 ZINC000852531980 654245586 /nfs/dbraw/zinc/24/55/86/654245586.db2.gz AJEDLHFNECWIGE-UHFFFAOYSA-N 1 2 383.237 2.423 20 0 GEADLO CO[C@H](C)CS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921330818 654249369 /nfs/dbraw/zinc/24/93/69/654249369.db2.gz QHRKEKCYABZTAI-BPLDGKMQSA-N 1 2 380.432 2.004 20 0 GEADLO CO[C@H](C)CS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921330818 654249370 /nfs/dbraw/zinc/24/93/70/654249370.db2.gz QHRKEKCYABZTAI-BPLDGKMQSA-N 1 2 380.432 2.004 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000852847073 654263242 /nfs/dbraw/zinc/26/32/42/654263242.db2.gz JGZGYSSEUJOKPO-UHFFFAOYSA-N 1 2 380.279 2.325 20 0 GEADLO CCn1c(Br)c(Br)nc1C[NH2+]Cc1ccnn1C ZINC000921525614 654277988 /nfs/dbraw/zinc/27/79/88/654277988.db2.gz UYMFSRAQJRGIIS-UHFFFAOYSA-N 1 2 377.084 2.451 20 0 GEADLO CCn1c(C[NH2+][C@@H]2CCCCNC2=O)nc(Br)c1Br ZINC000921526505 654278153 /nfs/dbraw/zinc/27/81/53/654278153.db2.gz SOPAOIFBLFSZFM-MRVPVSSYSA-N 1 2 394.111 2.186 20 0 GEADLO C[N@H+](CCn1cc(Br)cn1)CN1Cc2cc(F)c(F)cc2C1=O ZINC000853516441 654299864 /nfs/dbraw/zinc/29/98/64/654299864.db2.gz TWIXFWMJRLLTTB-UHFFFAOYSA-N 1 2 385.212 2.469 20 0 GEADLO C[N@@H+](CCn1cc(Br)cn1)CN1Cc2cc(F)c(F)cc2C1=O ZINC000853516441 654299870 /nfs/dbraw/zinc/29/98/70/654299870.db2.gz TWIXFWMJRLLTTB-UHFFFAOYSA-N 1 2 385.212 2.469 20 0 GEADLO O=C(NCC1C[NH+](C[C@@H](O)c2ccccc2Br)C1)C(F)(F)F ZINC000871991428 654304075 /nfs/dbraw/zinc/30/40/75/654304075.db2.gz BPQSUTOQHYWYGE-GFCCVEGCSA-N 1 2 381.192 2.093 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)ccc1Br ZINC000872007744 654310601 /nfs/dbraw/zinc/31/06/01/654310601.db2.gz LJHYYWFOAKDNBE-LLVKDONJSA-N 1 2 398.282 2.142 20 0 GEADLO Cn1c[nH+]cc1CCN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000853648398 654312942 /nfs/dbraw/zinc/31/29/42/654312942.db2.gz LSXFWNKKDFBKKK-INIZCTEOSA-N 1 2 377.242 2.192 20 0 GEADLO Cn1c[nH+]cc1CCN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000853664468 654313745 /nfs/dbraw/zinc/31/37/45/654313745.db2.gz RUSUFZMEKHXYHT-CQSZACIVSA-N 1 2 383.271 2.254 20 0 GEADLO COc1ccc(CN2CC[C@H]([NH2+]Cc3nc(Br)c[nH]3)C2=O)cc1 ZINC000921747470 654318056 /nfs/dbraw/zinc/31/80/56/654318056.db2.gz OWIOSKRFAKNNET-ZDUSSCGKSA-N 1 2 379.258 2.072 20 0 GEADLO COc1c(N)[nH+]cnc1N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000853768442 654319851 /nfs/dbraw/zinc/31/98/51/654319851.db2.gz FUSJBYCRSDDRMR-HQJQHLMTSA-N 1 2 392.095 2.400 20 0 GEADLO COc1c(N)nc[nH+]c1N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000853768442 654319856 /nfs/dbraw/zinc/31/98/56/654319856.db2.gz FUSJBYCRSDDRMR-HQJQHLMTSA-N 1 2 392.095 2.400 20 0 GEADLO C[NH+]1CCC(OCC(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CC1 ZINC000892086121 654327891 /nfs/dbraw/zinc/32/78/91/654327891.db2.gz SQDQVVZBBURISM-UHFFFAOYSA-N 1 2 394.273 2.284 20 0 GEADLO O=C(NCC[C@@H]1CCC(F)(F)C1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000892259410 654337309 /nfs/dbraw/zinc/33/73/09/654337309.db2.gz WBYJRXDXBZVPCA-GOEBONIOSA-N 1 2 377.501 2.319 20 0 GEADLO O=C(NCC[C@@H]1CCC(F)(F)C1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000892259412 654337577 /nfs/dbraw/zinc/33/75/77/654337577.db2.gz WBYJRXDXBZVPCA-HOCLYGCPSA-N 1 2 377.501 2.319 20 0 GEADLO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1c(Cl)ccc(F)c1F ZINC000921911929 654340920 /nfs/dbraw/zinc/34/09/20/654340920.db2.gz UNPFRLDIWCMGLL-NSHDSACASA-N 1 2 380.844 2.150 20 0 GEADLO O=S(=O)(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1c(Cl)ccc(F)c1F ZINC000921911929 654340922 /nfs/dbraw/zinc/34/09/22/654340922.db2.gz UNPFRLDIWCMGLL-NSHDSACASA-N 1 2 380.844 2.150 20 0 GEADLO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1sccc1Br ZINC000921912450 654341277 /nfs/dbraw/zinc/34/12/77/654341277.db2.gz NYBUJNMOEAMKBC-LLVKDONJSA-N 1 2 395.344 2.042 20 0 GEADLO O=S(=O)(NC[C@H]1CC[N@H+]1C1CCOCC1)c1sccc1Br ZINC000921912450 654341283 /nfs/dbraw/zinc/34/12/83/654341283.db2.gz NYBUJNMOEAMKBC-LLVKDONJSA-N 1 2 395.344 2.042 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C(F)(F)Br)nc1 ZINC000834708998 654344890 /nfs/dbraw/zinc/34/48/90/654344890.db2.gz IIZJKTVGRGHVMO-NSHDSACASA-N 1 2 392.244 2.319 20 0 GEADLO C[C@H](NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000872477174 654349844 /nfs/dbraw/zinc/34/98/44/654349844.db2.gz FSHXUJYTAVEBFP-VXOUBLIBSA-N 1 2 375.560 2.409 20 0 GEADLO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000892666043 654356691 /nfs/dbraw/zinc/35/66/91/654356691.db2.gz ZXIQGZRZXYEQOP-UHFFFAOYSA-N 1 2 379.429 2.371 20 0 GEADLO Cn1nc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1Br ZINC000854411415 654359533 /nfs/dbraw/zinc/35/95/33/654359533.db2.gz QZKKFVOZXOEBSF-UHFFFAOYSA-N 1 2 398.330 2.417 20 0 GEADLO Cn1cc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)[nH]c1=O ZINC000854417163 654359973 /nfs/dbraw/zinc/35/99/73/654359973.db2.gz NGIFTKKCADTKII-UHFFFAOYSA-N 1 2 394.229 2.020 20 0 GEADLO CSc1nc(Cl)c(F)c(NCC2([NH+]3CCOCC3)CCOCC2)n1 ZINC000872569181 654373234 /nfs/dbraw/zinc/37/32/34/654373234.db2.gz DPUAIZCEEVMKIM-UHFFFAOYSA-N 1 2 376.885 2.284 20 0 GEADLO O=C(Cc1[nH]cc[nH+]1)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC000854944099 654390582 /nfs/dbraw/zinc/39/05/82/654390582.db2.gz DTGGTFDOJLORIZ-UHFFFAOYSA-N 1 2 383.221 2.329 20 0 GEADLO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1cn(C)nc1Br ZINC000922469057 654395642 /nfs/dbraw/zinc/39/56/42/654395642.db2.gz JKQMCQSFYLDXHY-UHFFFAOYSA-N 1 2 396.211 2.455 20 0 GEADLO C[C@@]1(C(F)(F)F)CC[N@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000872803326 654397225 /nfs/dbraw/zinc/39/72/25/654397225.db2.gz APYYNTPSVXUMSD-CQSZACIVSA-N 1 2 375.372 2.271 20 0 GEADLO C[C@@]1(C(F)(F)F)CC[N@@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000872803326 654397230 /nfs/dbraw/zinc/39/72/30/654397230.db2.gz APYYNTPSVXUMSD-CQSZACIVSA-N 1 2 375.372 2.271 20 0 GEADLO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000922494811 654397737 /nfs/dbraw/zinc/39/77/37/654397737.db2.gz KUKWXVZZXQTCIN-UHFFFAOYSA-N 1 2 388.293 2.276 20 0 GEADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CN2CCOC2=S)C[C@@H]1C(F)(F)F ZINC000872811189 654397841 /nfs/dbraw/zinc/39/78/41/654397841.db2.gz ZQCOPWNLSWMDTJ-MNOVXSKESA-N 1 2 383.436 2.196 20 0 GEADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CN2CCOC2=S)C[C@@H]1C(F)(F)F ZINC000872811189 654397843 /nfs/dbraw/zinc/39/78/43/654397843.db2.gz ZQCOPWNLSWMDTJ-MNOVXSKESA-N 1 2 383.436 2.196 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000906063770 654411711 /nfs/dbraw/zinc/41/17/11/654411711.db2.gz HWJVQEHWVPUPSK-HSZRJFAPSA-N 1 2 391.584 2.318 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(Cl)ncc1Br ZINC000855408819 654417442 /nfs/dbraw/zinc/41/74/42/654417442.db2.gz YTQOTZMURUIWJI-ZJUUUORDSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(Cl)ncc1Br ZINC000855408819 654417443 /nfs/dbraw/zinc/41/74/43/654417443.db2.gz YTQOTZMURUIWJI-ZJUUUORDSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc(Br)cnc2Cl)[C@@H](C)CO1 ZINC000855411915 654417447 /nfs/dbraw/zinc/41/74/47/654417447.db2.gz QXBYCNSVUANPCP-UWVGGRQHSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)cnc2Cl)[C@@H](C)CO1 ZINC000855411915 654417448 /nfs/dbraw/zinc/41/74/48/654417448.db2.gz QXBYCNSVUANPCP-UWVGGRQHSA-N 1 2 376.682 2.337 20 0 GEADLO O=C1CC[C@@H]([NH2+]c2ccc(N3CC[C@@H](CO)C3)c(Br)c2)CCN1 ZINC000873149872 654418731 /nfs/dbraw/zinc/41/87/31/654418731.db2.gz FUVUBQLZIHWYHB-CHWSQXEVSA-N 1 2 382.302 2.348 20 0 GEADLO Brc1ccc(C2([NH2+]Cc3cn(Cc4ncon4)nn3)CC2)cc1 ZINC000906286140 654425145 /nfs/dbraw/zinc/42/51/45/654425145.db2.gz QFWJTVGRVVVFST-UHFFFAOYSA-N 1 2 375.230 2.251 20 0 GEADLO COCCC[N@H+](Cc1ccccc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000893910389 654430775 /nfs/dbraw/zinc/43/07/75/654430775.db2.gz FTVYFBZQDRWBGR-HNNXBMFYSA-N 1 2 377.453 2.356 20 0 GEADLO COCCC[N@@H+](Cc1ccccc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000893910389 654430780 /nfs/dbraw/zinc/43/07/80/654430780.db2.gz FTVYFBZQDRWBGR-HNNXBMFYSA-N 1 2 377.453 2.356 20 0 GEADLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894014063 654438569 /nfs/dbraw/zinc/43/85/69/654438569.db2.gz HZNGKUCWIBVCNV-ZDUSSCGKSA-N 1 2 384.933 2.220 20 0 GEADLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894014063 654438572 /nfs/dbraw/zinc/43/85/72/654438572.db2.gz HZNGKUCWIBVCNV-ZDUSSCGKSA-N 1 2 384.933 2.220 20 0 GEADLO Cn1ncc(I)c1CN1CCC([N@H+](C)CC(F)F)CC1 ZINC000894070376 654444166 /nfs/dbraw/zinc/44/41/66/654444166.db2.gz FXNMNIJCEVZZBM-UHFFFAOYSA-N 1 2 398.239 2.186 20 0 GEADLO Cn1ncc(I)c1CN1CCC([N@@H+](C)CC(F)F)CC1 ZINC000894070376 654444168 /nfs/dbraw/zinc/44/41/68/654444168.db2.gz FXNMNIJCEVZZBM-UHFFFAOYSA-N 1 2 398.239 2.186 20 0 GEADLO NC(=O)[C@H]([NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2)c1cccc(Br)c1 ZINC000894150648 654450751 /nfs/dbraw/zinc/45/07/51/654450751.db2.gz DJEOETJNZJYCJW-MGPQQGTHSA-N 1 2 387.249 2.199 20 0 GEADLO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1nc(Br)nn1C ZINC000894156458 654451329 /nfs/dbraw/zinc/45/13/29/654451329.db2.gz MIGIFSGORCLQQV-CQSZACIVSA-N 1 2 394.317 2.147 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCC[C@H](O)C3CC3)[nH+]c12 ZINC000894165657 654452207 /nfs/dbraw/zinc/45/22/07/654452207.db2.gz HCGLZAJZXILGBB-HNNXBMFYSA-N 1 2 395.301 2.408 20 0 GEADLO CC(=O)Nc1cccc(C[NH2+]Cc2cn(C)nc2I)c1 ZINC000894175077 654452830 /nfs/dbraw/zinc/45/28/30/654452830.db2.gz DKUKZUKWHVVCHN-UHFFFAOYSA-N 1 2 384.221 2.273 20 0 GEADLO O=S(=O)(NCC[NH2+]Cc1nnc(C2CC2)s1)c1ccc(Cl)cc1F ZINC000894251170 654459442 /nfs/dbraw/zinc/45/94/42/654459442.db2.gz HUUNFTPQZURJJK-UHFFFAOYSA-N 1 2 390.893 2.276 20 0 GEADLO O=C(NCc1cnc(Br)cn1)N1CC[NH+](Cc2cccs2)CC1 ZINC000923526918 654461940 /nfs/dbraw/zinc/46/19/40/654461940.db2.gz VYWGBMWHMNXCGN-UHFFFAOYSA-N 1 2 396.314 2.328 20 0 GEADLO Cn1cc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c(I)n1 ZINC000894374225 654470764 /nfs/dbraw/zinc/47/07/64/654470764.db2.gz FFFUFEMABNQKIB-NWDGAFQWSA-N 1 2 377.270 2.254 20 0 GEADLO Cn1cc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c(I)n1 ZINC000894374225 654470768 /nfs/dbraw/zinc/47/07/68/654470768.db2.gz FFFUFEMABNQKIB-NWDGAFQWSA-N 1 2 377.270 2.254 20 0 GEADLO CC(C)Oc1cc(NC(=O)C(=O)NCc2c[nH+]cn2C)ccc1Br ZINC000873885762 654477546 /nfs/dbraw/zinc/47/75/46/654477546.db2.gz DBJNFHKDRHCROG-UHFFFAOYSA-N 1 2 395.257 2.225 20 0 GEADLO O=C(OCc1csc(Br)c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923778190 654483469 /nfs/dbraw/zinc/48/34/69/654483469.db2.gz REAQRZXRLYOHBK-OLZOCXBDSA-N 1 2 390.299 2.434 20 0 GEADLO Cn1ncc(I)c1C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000894659782 654492830 /nfs/dbraw/zinc/49/28/30/654492830.db2.gz BWHJNOBALKXAIG-INIZCTEOSA-N 1 2 397.260 2.338 20 0 GEADLO Cn1cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c(I)n1 ZINC000894660815 654493142 /nfs/dbraw/zinc/49/31/42/654493142.db2.gz SUKOXNOKGVVPNU-MRXNPFEDSA-N 1 2 397.260 2.338 20 0 GEADLO O=C(NCC[C@H]1CC1(Cl)Cl)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000856826980 654496336 /nfs/dbraw/zinc/49/63/36/654496336.db2.gz NUWWKIXNYOCLIR-JSGCOSHPSA-N 1 2 382.357 2.077 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)c1nc(Cc2ncsc2Br)no1 ZINC000924107175 654501190 /nfs/dbraw/zinc/50/11/90/654501190.db2.gz UDVNUGCBCWCXQA-UHFFFAOYSA-N 1 2 387.303 2.489 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)oc1Cl ZINC000907041564 654502831 /nfs/dbraw/zinc/50/28/31/654502831.db2.gz GFYPBQOFMNNMGK-CMPLNLGQSA-N 1 2 387.845 2.188 20 0 GEADLO O=C(Nc1cncc(Br)c1)c1cccn1CC[NH+]1CCOCC1 ZINC000907138112 654513667 /nfs/dbraw/zinc/51/36/67/654513667.db2.gz XBPTZVQZPPUELP-UHFFFAOYSA-N 1 2 379.258 2.230 20 0 GEADLO O=S(=O)(N[C@@H]1CCn2cc[nH+]c2C1)c1c[nH]c2c1cccc2Br ZINC000907138919 654513710 /nfs/dbraw/zinc/51/37/10/654513710.db2.gz YBWOBVZJNZNFBX-SNVBAGLBSA-N 1 2 395.282 2.420 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)oc1Cl ZINC000907158762 654516054 /nfs/dbraw/zinc/51/60/54/654516054.db2.gz GRKSVEAEICXXFK-SNVBAGLBSA-N 1 2 387.845 2.021 20 0 GEADLO C[C@@H](CC(F)(F)F)CS(=O)(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000907345047 654534058 /nfs/dbraw/zinc/53/40/58/654534058.db2.gz UYTQMODZADZGBW-AWEZNQCLSA-N 1 2 379.448 2.160 20 0 GEADLO C[C@@H]1COC[C@H]1NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000926014293 654556145 /nfs/dbraw/zinc/55/61/45/654556145.db2.gz MVFVGCRJPIBSSU-TZMCWYRMSA-N 1 2 397.273 2.485 20 0 GEADLO CC(C)n1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)nn1 ZINC000926358001 654569276 /nfs/dbraw/zinc/56/92/76/654569276.db2.gz ULNBZASZMTYOCI-LLVKDONJSA-N 1 2 389.884 2.281 20 0 GEADLO CCn1nc(C)c([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000926357706 654569312 /nfs/dbraw/zinc/56/93/12/654569312.db2.gz RWQBBWUKIIDBPR-SNVBAGLBSA-N 1 2 389.884 2.028 20 0 GEADLO CS(=O)(=O)C[C@@H](O)C[NH2+][C@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000927029655 654590175 /nfs/dbraw/zinc/59/01/75/654590175.db2.gz UUDBHUIZHFVRCT-XJKSGUPXSA-N 1 2 389.304 2.473 20 0 GEADLO O=C(c1c[nH]nc1I)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927074099 654590822 /nfs/dbraw/zinc/59/08/22/654590822.db2.gz ASLSJAIFYASEBZ-UHFFFAOYSA-N 1 2 397.220 2.126 20 0 GEADLO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]Cc1nc2c(s1)COCC2 ZINC000927116757 654594623 /nfs/dbraw/zinc/59/46/23/654594623.db2.gz IUBQEBRAQCZJRD-LBPRGKRZSA-N 1 2 381.523 2.331 20 0 GEADLO COc1cc([C@H](C)[NH2+]Cc2nc3c(s2)COCC3)ccc1S(C)(=O)=O ZINC000927118676 654594842 /nfs/dbraw/zinc/59/48/42/654594842.db2.gz UCUVTVZXYMTMBR-NSHDSACASA-N 1 2 382.507 2.479 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)[C@H]2CSC(c3ccccc3O)=N2)n1 ZINC000927763402 654612598 /nfs/dbraw/zinc/61/25/98/654612598.db2.gz HGBIYQLGIGUZMK-CYBMUJFWSA-N 1 2 376.507 2.089 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927763165 654612699 /nfs/dbraw/zinc/61/26/99/654612699.db2.gz BPVWRHFQFOEAQV-UHFFFAOYSA-N 1 2 385.287 2.306 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000928645480 654654023 /nfs/dbraw/zinc/65/40/23/654654023.db2.gz BCBMDXLIWDGQDS-NSHDSACASA-N 1 2 382.814 2.091 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000928650051 654654454 /nfs/dbraw/zinc/65/44/54/654654454.db2.gz JNZKFXLKAWMKRS-HNNXBMFYSA-N 1 2 382.302 2.103 20 0 GEADLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)CC[S@](=O)C(F)(F)F ZINC000929416221 654683289 /nfs/dbraw/zinc/68/32/89/654683289.db2.gz GYZGXDCIDHHTGM-QHCPKHFHSA-N 1 2 387.445 2.059 20 0 GEADLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)CC[S@](=O)C(F)(F)F ZINC000929416221 654683291 /nfs/dbraw/zinc/68/32/91/654683291.db2.gz GYZGXDCIDHHTGM-QHCPKHFHSA-N 1 2 387.445 2.059 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000929470767 654685125 /nfs/dbraw/zinc/68/51/25/654685125.db2.gz YWGKGRFOIHOTIL-BHYGNILZSA-N 1 2 395.297 2.011 20 0 GEADLO CS(=O)(=O)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000929474484 654685138 /nfs/dbraw/zinc/68/51/38/654685138.db2.gz WLIISBIXLWBKNL-CQSZACIVSA-N 1 2 379.507 2.114 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000929470770 654685173 /nfs/dbraw/zinc/68/51/73/654685173.db2.gz YWGKGRFOIHOTIL-XIRDDKMYSA-N 1 2 395.297 2.011 20 0 GEADLO COC(=O)c1ccc(Br)c(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000929648333 654689456 /nfs/dbraw/zinc/68/94/56/654689456.db2.gz FFECHPVFFZDNIH-AWEZNQCLSA-N 1 2 396.285 2.225 20 0 GEADLO COC(=O)c1ccc(Br)c(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000929648333 654689461 /nfs/dbraw/zinc/68/94/61/654689461.db2.gz FFECHPVFFZDNIH-AWEZNQCLSA-N 1 2 396.285 2.225 20 0 GEADLO O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](C[C@@H]2CCCS2(=O)=O)CC1 ZINC000929926034 654695272 /nfs/dbraw/zinc/69/52/72/654695272.db2.gz YCMNYNITOFKIHT-INIZCTEOSA-N 1 2 385.917 2.457 20 0 GEADLO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](C[C@@H]2CCCS2(=O)=O)CC1 ZINC000929926034 654695273 /nfs/dbraw/zinc/69/52/73/654695273.db2.gz YCMNYNITOFKIHT-INIZCTEOSA-N 1 2 385.917 2.457 20 0 GEADLO CCN1C(=O)N=NC1C1CC[NH+](Cc2ccc(Br)nc2N)CC1 ZINC000930059700 654698383 /nfs/dbraw/zinc/69/83/83/654698383.db2.gz ZJUZMUISEPPHFA-UHFFFAOYSA-N 1 2 381.278 2.123 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](C[C@@H]2CCCO2)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000930110588 654699543 /nfs/dbraw/zinc/69/95/43/654699543.db2.gz NHAGHRIKGAGAKC-AJNGGQMLSA-N 1 2 385.448 2.155 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](C[C@@H]2CCCO2)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000930110588 654699545 /nfs/dbraw/zinc/69/95/45/654699545.db2.gz NHAGHRIKGAGAKC-AJNGGQMLSA-N 1 2 385.448 2.155 20 0 GEADLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@H]1CCC2(COC2)O1 ZINC000930301766 654705225 /nfs/dbraw/zinc/70/52/25/654705225.db2.gz YTWFABKZLAXMGX-MRXNPFEDSA-N 1 2 393.285 2.410 20 0 GEADLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@H]1CCC2(COC2)O1 ZINC000930301766 654705226 /nfs/dbraw/zinc/70/52/26/654705226.db2.gz YTWFABKZLAXMGX-MRXNPFEDSA-N 1 2 393.285 2.410 20 0 GEADLO COC(=O)CCc1csc(NC(=O)NCc2nc(C[NH+](C)C)cs2)n1 ZINC000930438945 654710298 /nfs/dbraw/zinc/71/02/98/654710298.db2.gz GHUBHNFGFDYGGS-UHFFFAOYSA-N 1 2 383.499 2.089 20 0 GEADLO Cn1cc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)c(Br)n1 ZINC000910778300 654710901 /nfs/dbraw/zinc/71/09/01/654710901.db2.gz OOISKTLKBVBNFO-UHFFFAOYSA-N 1 2 375.270 2.283 20 0 GEADLO Cn1cc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)c(Br)n1 ZINC000910778300 654710904 /nfs/dbraw/zinc/71/09/04/654710904.db2.gz OOISKTLKBVBNFO-UHFFFAOYSA-N 1 2 375.270 2.283 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000910924188 654714146 /nfs/dbraw/zinc/71/41/46/654714146.db2.gz BHPNLTHCOLVNBP-CHWSQXEVSA-N 1 2 382.917 2.173 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000910924188 654714148 /nfs/dbraw/zinc/71/41/48/654714148.db2.gz BHPNLTHCOLVNBP-CHWSQXEVSA-N 1 2 382.917 2.173 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@@H]2CCC3(COC3)O2)c1 ZINC000930625445 654715660 /nfs/dbraw/zinc/71/56/60/654715660.db2.gz WPGQAFXRFPXLBI-BBRMVZONSA-N 1 2 386.286 2.371 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@@H]2CCC3(COC3)O2)c1 ZINC000930625445 654715662 /nfs/dbraw/zinc/71/56/62/654715662.db2.gz WPGQAFXRFPXLBI-BBRMVZONSA-N 1 2 386.286 2.371 20 0 GEADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000911593563 654727408 /nfs/dbraw/zinc/72/74/08/654727408.db2.gz ICPBAPOOJBPVJB-MEBBXXQBSA-N 1 2 397.298 2.361 20 0 GEADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000911593563 654727410 /nfs/dbraw/zinc/72/74/10/654727410.db2.gz ICPBAPOOJBPVJB-MEBBXXQBSA-N 1 2 397.298 2.361 20 0 GEADLO Cn1[nH]c(=O)c2c1C[N@@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)CC2 ZINC000931194842 654733050 /nfs/dbraw/zinc/73/30/50/654733050.db2.gz DYYSANARQBRWJE-AWEZNQCLSA-N 1 2 391.269 2.052 20 0 GEADLO Cn1[nH]c(=O)c2c1C[N@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)CC2 ZINC000931194842 654733052 /nfs/dbraw/zinc/73/30/52/654733052.db2.gz DYYSANARQBRWJE-AWEZNQCLSA-N 1 2 391.269 2.052 20 0 GEADLO C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H]1CCCS1(=O)=O ZINC000931379859 654740377 /nfs/dbraw/zinc/74/03/77/654740377.db2.gz LHMWZVPKTDEODA-HIFRSBDPSA-N 1 2 382.309 2.242 20 0 GEADLO C[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H]1CCCS1(=O)=O ZINC000931379859 654740381 /nfs/dbraw/zinc/74/03/81/654740381.db2.gz LHMWZVPKTDEODA-HIFRSBDPSA-N 1 2 382.309 2.242 20 0 GEADLO Cc1csc([C@@H](NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C(F)(F)F)n1 ZINC000931580163 654747695 /nfs/dbraw/zinc/74/76/95/654747695.db2.gz ZIXWJPRNVRWKIA-VXGBXAGGSA-N 1 2 380.436 2.417 20 0 GEADLO COC1(OC)CC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@H]1O ZINC000931640378 654750240 /nfs/dbraw/zinc/75/02/40/654750240.db2.gz OPHWNQWXNMJZKU-QKFKETGDSA-N 1 2 382.309 2.157 20 0 GEADLO COC1(OC)CC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@H]1O ZINC000931640378 654750242 /nfs/dbraw/zinc/75/02/42/654750242.db2.gz OPHWNQWXNMJZKU-QKFKETGDSA-N 1 2 382.309 2.157 20 0 GEADLO COC1(OC)CC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@@H]1O ZINC000931640377 654750345 /nfs/dbraw/zinc/75/03/45/654750345.db2.gz OPHWNQWXNMJZKU-PSLXWICFSA-N 1 2 382.309 2.157 20 0 GEADLO COC1(OC)CC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@@H]1O ZINC000931640377 654750346 /nfs/dbraw/zinc/75/03/46/654750346.db2.gz OPHWNQWXNMJZKU-PSLXWICFSA-N 1 2 382.309 2.157 20 0 GEADLO COC1(OC)CC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C[C@@H]1O ZINC000931642497 654750572 /nfs/dbraw/zinc/75/05/72/654750572.db2.gz UJOQCEXIMWKNPN-ZDUSSCGKSA-N 1 2 398.257 2.055 20 0 GEADLO COC1(OC)CC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C[C@@H]1O ZINC000931642497 654750573 /nfs/dbraw/zinc/75/05/73/654750573.db2.gz UJOQCEXIMWKNPN-ZDUSSCGKSA-N 1 2 398.257 2.055 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)C(=O)N(Cc2cccs2)C2CC2)n1 ZINC000931659171 654751711 /nfs/dbraw/zinc/75/17/11/654751711.db2.gz UCHUQCPGQPSYLX-UHFFFAOYSA-N 1 2 378.523 2.074 20 0 GEADLO CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000931731286 654754921 /nfs/dbraw/zinc/75/49/21/654754921.db2.gz XGJJUOCELWDRFV-LSDHHAIUSA-N 1 2 387.343 2.391 20 0 GEADLO CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000931731286 654754923 /nfs/dbraw/zinc/75/49/23/654754923.db2.gz XGJJUOCELWDRFV-LSDHHAIUSA-N 1 2 387.343 2.391 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)Nc2cccc(F)c2S(C)(=O)=O)n1 ZINC000931741067 654755563 /nfs/dbraw/zinc/75/55/63/654755563.db2.gz HMKVXAYUWQKMGJ-UHFFFAOYSA-N 1 2 386.474 2.069 20 0 GEADLO O=C(c1cnc(CCC(F)(F)F)s1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000932162953 654768743 /nfs/dbraw/zinc/76/87/43/654768743.db2.gz SALYQIKFHGKSOZ-NEPJUHHUSA-N 1 2 377.432 2.309 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1[nH]c2ccccc2c1Br ZINC000912897044 654773763 /nfs/dbraw/zinc/77/37/63/654773763.db2.gz RNOCNMGSWZHZAQ-UHFFFAOYSA-N 1 2 394.269 2.109 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1[nH]c2ccccc2c1Br ZINC000912897044 654773768 /nfs/dbraw/zinc/77/37/68/654773768.db2.gz RNOCNMGSWZHZAQ-UHFFFAOYSA-N 1 2 394.269 2.109 20 0 GEADLO CC(C)n1ncc(C(O)(C(F)(F)F)C(F)(F)F)c1NC(=O)C[NH+](C)C ZINC000912966674 654776756 /nfs/dbraw/zinc/77/67/56/654776756.db2.gz FLAZEAYILKTMGJ-UHFFFAOYSA-N 1 2 376.301 2.276 20 0 GEADLO Cc1ncc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1Br ZINC000932771371 654789352 /nfs/dbraw/zinc/78/93/52/654789352.db2.gz SATDKQSTLPHWFN-BETUJISGSA-N 1 2 383.290 2.446 20 0 GEADLO Cc1ncc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1Br ZINC000932771371 654789354 /nfs/dbraw/zinc/78/93/54/654789354.db2.gz SATDKQSTLPHWFN-BETUJISGSA-N 1 2 383.290 2.446 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000932793932 654790937 /nfs/dbraw/zinc/79/09/37/654790937.db2.gz WDJMQTJMAIHLOD-FZMZJTMJSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000932793932 654790939 /nfs/dbraw/zinc/79/09/39/654790939.db2.gz WDJMQTJMAIHLOD-FZMZJTMJSA-N 1 2 376.266 2.359 20 0 GEADLO O=C(CSc1cccc(Br)c1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913449829 654792511 /nfs/dbraw/zinc/79/25/11/654792511.db2.gz QIPDMRGOZORTHQ-AWEZNQCLSA-N 1 2 381.299 2.437 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3nc(Br)sc3Cl)CC[NH2+]2)cn1 ZINC000913455756 654793090 /nfs/dbraw/zinc/79/30/90/654793090.db2.gz DGUFEXDGSVCHBR-QMMMGPOBSA-N 1 2 390.694 2.079 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)CCc3ccccc3Br)CC[NH2+]2)cn1 ZINC000913469073 654794351 /nfs/dbraw/zinc/79/43/51/654794351.db2.gz RPEVNELMPGYUAV-INIZCTEOSA-N 1 2 377.286 2.288 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1C2CCC1(C(N)=O)CC2)c1ccc(Br)cc1 ZINC000932932856 654794710 /nfs/dbraw/zinc/79/47/10/654794710.db2.gz NZSPNVMGVXGBJX-HUZSNBGSSA-N 1 2 380.286 2.109 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1C2CCC1(C(N)=O)CC2)c1ccc(Br)cc1 ZINC000932932856 654794717 /nfs/dbraw/zinc/79/47/17/654794717.db2.gz NZSPNVMGVXGBJX-HUZSNBGSSA-N 1 2 380.286 2.109 20 0 GEADLO COc1ncc(NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)c(C)c1Br ZINC000932962994 654798815 /nfs/dbraw/zinc/79/88/15/654798815.db2.gz ONPYSFLWMJFYDD-SNVBAGLBSA-N 1 2 387.278 2.003 20 0 GEADLO COc1ncc(NC(=O)NCC[N@H+]2CCO[C@H](C)C2)c(C)c1Br ZINC000932962994 654798820 /nfs/dbraw/zinc/79/88/20/654798820.db2.gz ONPYSFLWMJFYDD-SNVBAGLBSA-N 1 2 387.278 2.003 20 0 GEADLO O=C(N[C@H](CO)Cc1cncs1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000913696135 654804859 /nfs/dbraw/zinc/80/48/59/654804859.db2.gz BRZFJXJUDLNFRM-DOTOQJQBSA-N 1 2 379.913 2.481 20 0 GEADLO O=C(N[C@H](CO)Cc1cncs1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000913696135 654804860 /nfs/dbraw/zinc/80/48/60/654804860.db2.gz BRZFJXJUDLNFRM-DOTOQJQBSA-N 1 2 379.913 2.481 20 0 GEADLO O=c1cc(C[N@@H+]2CCOC[C@H]2CC2CC2)nc2ccc(Br)cn12 ZINC000933209318 654805260 /nfs/dbraw/zinc/80/52/60/654805260.db2.gz DDLQUDNMAQHGKQ-OAHLLOKOSA-N 1 2 378.270 2.458 20 0 GEADLO O=c1cc(C[N@H+]2CCOC[C@H]2CC2CC2)nc2ccc(Br)cn12 ZINC000933209318 654805261 /nfs/dbraw/zinc/80/52/61/654805261.db2.gz DDLQUDNMAQHGKQ-OAHLLOKOSA-N 1 2 378.270 2.458 20 0 GEADLO COC[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000933332557 654809150 /nfs/dbraw/zinc/80/91/50/654809150.db2.gz JMRZNKWHYGXSFA-OLZOCXBDSA-N 1 2 394.693 2.189 20 0 GEADLO COC[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000933332557 654809151 /nfs/dbraw/zinc/80/91/51/654809151.db2.gz JMRZNKWHYGXSFA-OLZOCXBDSA-N 1 2 394.693 2.189 20 0 GEADLO C[C@H]1CS(=O)(=O)CCCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000913890906 654814151 /nfs/dbraw/zinc/81/41/51/654814151.db2.gz FFZDLBSBILVZSU-GJZGRUSLSA-N 1 2 385.555 2.104 20 0 GEADLO COc1cc(C[NH+]2CCC(CN3CCNC3=O)CC2)c(Br)cn1 ZINC000933580016 654817347 /nfs/dbraw/zinc/81/73/47/654817347.db2.gz GAPLCRNDGRFAJF-UHFFFAOYSA-N 1 2 383.290 2.090 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccnn2Cc2ccc(Cl)s2)CCO1 ZINC000933930651 654831303 /nfs/dbraw/zinc/83/13/03/654831303.db2.gz BUWBSIAAUZZLLP-LBPRGKRZSA-N 1 2 383.905 2.489 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccnn2Cc2ccc(Cl)s2)CCO1 ZINC000933930651 654831306 /nfs/dbraw/zinc/83/13/06/654831306.db2.gz BUWBSIAAUZZLLP-LBPRGKRZSA-N 1 2 383.905 2.489 20 0 GEADLO Cc1c(Br)cncc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000934257769 654840485 /nfs/dbraw/zinc/84/04/85/654840485.db2.gz MXXDDADLTLQIQH-CYBMUJFWSA-N 1 2 383.290 2.481 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C/C=C/c1ccc(Br)cc1 ZINC000934323493 654844104 /nfs/dbraw/zinc/84/41/04/654844104.db2.gz ZOMMEYUOERCVMZ-YATRRXNKSA-N 1 2 397.313 2.004 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1c(Br)cnn1C1CC1 ZINC000934363072 654845674 /nfs/dbraw/zinc/84/56/74/654845674.db2.gz KCWDCHQJHKUDOV-NSHDSACASA-N 1 2 386.294 2.165 20 0 GEADLO C[C@H](NC(=O)Nc1c(Br)cnn1C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000934377695 654848408 /nfs/dbraw/zinc/84/84/08/654848408.db2.gz VZQJOTQZXSVHED-QWRGUYRKSA-N 1 2 386.294 2.211 20 0 GEADLO O=C(c1cc(Br)cnc1C1CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000934592154 654853910 /nfs/dbraw/zinc/85/39/10/654853910.db2.gz JWEQVWSWNMADNY-AWEZNQCLSA-N 1 2 380.286 2.268 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1 ZINC000914722263 654857052 /nfs/dbraw/zinc/85/70/52/654857052.db2.gz RLEBCCGWBCTRFU-SNVBAGLBSA-N 1 2 378.420 2.334 20 0 GEADLO O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]21 ZINC000934788162 654860059 /nfs/dbraw/zinc/86/00/59/654860059.db2.gz MUNFWHMUPSHNPM-RBSFLKMASA-N 1 2 381.391 2.301 20 0 GEADLO O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]21 ZINC000934788162 654860061 /nfs/dbraw/zinc/86/00/61/654860061.db2.gz MUNFWHMUPSHNPM-RBSFLKMASA-N 1 2 381.391 2.301 20 0 GEADLO CCn1nnc(C)c1C[NH2+][C@H](CO)c1ccccc1I ZINC000934826221 654861609 /nfs/dbraw/zinc/86/16/09/654861609.db2.gz KQMFAUAVDLNXQX-CYBMUJFWSA-N 1 2 386.237 2.034 20 0 GEADLO COc1cc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)ncn1 ZINC000935368839 654890137 /nfs/dbraw/zinc/89/01/37/654890137.db2.gz IJQMIEMEQJHHAI-UHFFFAOYSA-N 1 2 390.241 2.176 20 0 GEADLO O=C(NCc1ccsc1Br)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935847791 654921766 /nfs/dbraw/zinc/92/17/66/654921766.db2.gz QQOBKKQAWGZILQ-OLZOCXBDSA-N 1 2 389.315 2.007 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc2c(Br)cnn2c1 ZINC000935931779 654928066 /nfs/dbraw/zinc/92/80/66/654928066.db2.gz FBHMKASQMKTUCH-JSGCOSHPSA-N 1 2 393.285 2.032 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4cccc(OC)c4n3)CC2)C1=O ZINC001164632781 719270551 /nfs/dbraw/zinc/27/05/51/719270551.db2.gz CJHWQCIFPPUTKB-UHFFFAOYSA-N 1 2 398.507 2.003 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4cccc(OC)c4n3)CC2)C1=O ZINC001164632781 719270556 /nfs/dbraw/zinc/27/05/56/719270556.db2.gz CJHWQCIFPPUTKB-UHFFFAOYSA-N 1 2 398.507 2.003 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(C2CC2)n1 ZINC001164698560 719842937 /nfs/dbraw/zinc/84/29/37/719842937.db2.gz FHJUQOZENQVIJF-LIRRHRJNSA-N 1 2 394.903 2.240 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cccc(OC)c2n1 ZINC001164705795 719846105 /nfs/dbraw/zinc/84/61/05/719846105.db2.gz VRVTUADFWASZCO-VGSWGCGISA-N 1 2 399.491 2.476 20 0 GEADLO CCOc1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164703666 719852685 /nfs/dbraw/zinc/85/26/85/719852685.db2.gz QJEXPWNAFRCHHW-KUHUBIRLSA-N 1 2 397.903 2.366 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)ncn1 ZINC001164705018 719867134 /nfs/dbraw/zinc/86/71/34/719867134.db2.gz MZNRWCKJBXPUEC-GCJKJVERSA-N 1 2 396.491 2.376 20 0 GEADLO CCSc1ccnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164707802 719876037 /nfs/dbraw/zinc/87/60/37/719876037.db2.gz VNKQUPJAFCXDTG-KXBFYZLASA-N 1 2 379.526 2.426 20 0 GEADLO CCSc1ccnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164707800 719876315 /nfs/dbraw/zinc/87/63/15/719876315.db2.gz VNKQUPJAFCXDTG-DNVCBOLYSA-N 1 2 379.526 2.426 20 0 GEADLO CCc1nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(Cl)nc1C ZINC001164699807 719879173 /nfs/dbraw/zinc/87/91/73/719879173.db2.gz IVQLVKOISUIUQG-AUUYWEPGSA-N 1 2 396.919 2.234 20 0 GEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(C(C)(C)C)cn1)CC2 ZINC001164712145 720049244 /nfs/dbraw/zinc/04/92/44/720049244.db2.gz JRFREDIXXZYWKJ-UHFFFAOYSA-N 1 2 396.539 2.063 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1CCC3)C2 ZINC001165007899 721697109 /nfs/dbraw/zinc/69/71/09/721697109.db2.gz GPYXLADWOCNEEP-UHFFFAOYSA-N 1 2 375.908 2.461 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1CCC3)C2 ZINC001165007899 721697113 /nfs/dbraw/zinc/69/71/13/721697113.db2.gz GPYXLADWOCNEEP-UHFFFAOYSA-N 1 2 375.908 2.461 20 0 GEADLO COc1cccc2cnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc21 ZINC001165010475 721704899 /nfs/dbraw/zinc/70/48/99/721704899.db2.gz IXQLDJPLZZVFPT-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO COc1cccc2cnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc21 ZINC001165010475 721704906 /nfs/dbraw/zinc/70/49/06/721704906.db2.gz IXQLDJPLZZVFPT-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(-c3ccncc3)ncn1)C2 ZINC001165009000 721715526 /nfs/dbraw/zinc/71/55/26/721715526.db2.gz MRIPJBOBUKHEBK-UHFFFAOYSA-N 1 2 378.484 2.381 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(-c3ccncc3)ncn1)C2 ZINC001165009000 721715532 /nfs/dbraw/zinc/71/55/32/721715532.db2.gz MRIPJBOBUKHEBK-UHFFFAOYSA-N 1 2 378.484 2.381 20 0 GEADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C(C)C)n1 ZINC001164914757 721793703 /nfs/dbraw/zinc/79/37/03/721793703.db2.gz RGQMCFRWJCLSEJ-QFIPXVFZSA-N 1 2 397.523 2.411 20 0 GEADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C(C)C)n1 ZINC001164914757 721793706 /nfs/dbraw/zinc/79/37/06/721793706.db2.gz RGQMCFRWJCLSEJ-QFIPXVFZSA-N 1 2 397.523 2.411 20 0 GEADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C2CC2)n1 ZINC001164914659 721797282 /nfs/dbraw/zinc/79/72/82/721797282.db2.gz PCBQJQAYDISZSC-QFIPXVFZSA-N 1 2 395.507 2.165 20 0 GEADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C2CC2)n1 ZINC001164914659 721797284 /nfs/dbraw/zinc/79/72/84/721797284.db2.gz PCBQJQAYDISZSC-QFIPXVFZSA-N 1 2 395.507 2.165 20 0 GEADLO COC(=O)c1ccc(Cl)nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164919500 721812087 /nfs/dbraw/zinc/81/20/87/721812087.db2.gz YSQQVDHJZJGODW-UHFFFAOYSA-N 1 2 389.887 2.468 20 0 GEADLO COC(=O)c1cc(Cl)cc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164917938 721813692 /nfs/dbraw/zinc/81/36/92/721813692.db2.gz RDDRXJWSQOFMTP-UHFFFAOYSA-N 1 2 389.887 2.468 20 0 GEADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc[n+]([O-])c(Cl)c2)CC1 ZINC001164919576 721821718 /nfs/dbraw/zinc/82/17/18/721821718.db2.gz TZSWFPBNPZVVJD-UHFFFAOYSA-N 1 2 397.857 2.464 20 0 GEADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc[n+]([O-])c(Cl)c2)CC1 ZINC001164919576 721821720 /nfs/dbraw/zinc/82/17/20/721821720.db2.gz TZSWFPBNPZVVJD-UHFFFAOYSA-N 1 2 397.857 2.464 20 0 GEADLO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165045033 721920150 /nfs/dbraw/zinc/92/01/50/721920150.db2.gz YJILVQJUHHSYLO-LRDDRELGSA-N 1 2 394.825 2.236 20 0 GEADLO Cc1nc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c(C)c(C)[nH+]1 ZINC001165007053 722269381 /nfs/dbraw/zinc/26/93/81/722269381.db2.gz UGRLKTUSDICKFJ-NRFANRHFSA-N 1 2 383.471 2.468 20 0 GEADLO Cn1cc(N2CCC[C@H]([N@H+](C)Cc3cc(Br)cn3C)C2=O)cn1 ZINC000151470518 531504415 /nfs/dbraw/zinc/50/44/15/531504415.db2.gz YYVOVHIZPCSOJE-HNNXBMFYSA-N 1 2 380.290 2.149 20 0 GEADLO Cn1cc(N2CCC[C@H]([N@@H+](C)Cc3cc(Br)cn3C)C2=O)cn1 ZINC000151470518 531504421 /nfs/dbraw/zinc/50/44/21/531504421.db2.gz YYVOVHIZPCSOJE-HNNXBMFYSA-N 1 2 380.290 2.149 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1cccc(I)c1)C2 ZINC000152029936 531527062 /nfs/dbraw/zinc/52/70/62/531527062.db2.gz QUXWVHMNNZGZEM-CQSZACIVSA-N 1 2 395.244 2.470 20 0 GEADLO C[C@@H](CC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000152381501 531547252 /nfs/dbraw/zinc/54/72/52/531547252.db2.gz HPKVKCKDZDPPSA-HNNXBMFYSA-N 1 2 399.329 2.096 20 0 GEADLO CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152476164 531553665 /nfs/dbraw/zinc/55/36/65/531553665.db2.gz QWNAPYWLUUXLRQ-ARFHVFGLSA-N 1 2 385.892 2.262 20 0 GEADLO CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152476164 531553672 /nfs/dbraw/zinc/55/36/72/531553672.db2.gz QWNAPYWLUUXLRQ-ARFHVFGLSA-N 1 2 385.892 2.262 20 0 GEADLO COc1ccc(Br)cc1/C=C/C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000152735618 531567166 /nfs/dbraw/zinc/56/71/66/531567166.db2.gz CNHBTELJQUBBQY-YDBFETGOSA-N 1 2 381.270 2.012 20 0 GEADLO COc1ccc(Br)cc1/C=C/C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000152735618 531567177 /nfs/dbraw/zinc/56/71/77/531567177.db2.gz CNHBTELJQUBBQY-YDBFETGOSA-N 1 2 381.270 2.012 20 0 GEADLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cncc(Br)c1 ZINC000021122094 531585697 /nfs/dbraw/zinc/58/56/97/531585697.db2.gz HZXWFJSDDULOEQ-UHFFFAOYSA-N 1 2 377.242 2.006 20 0 GEADLO O=C(C[N@@H+]1CCc2sccc2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000021419158 531588807 /nfs/dbraw/zinc/58/88/07/531588807.db2.gz NZVWUGVMOZSRMN-UHFFFAOYSA-N 1 2 375.519 2.152 20 0 GEADLO O=C(C[N@H+]1CCc2sccc2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000021419158 531588812 /nfs/dbraw/zinc/58/88/12/531588812.db2.gz NZVWUGVMOZSRMN-UHFFFAOYSA-N 1 2 375.519 2.152 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000023402332 531597832 /nfs/dbraw/zinc/59/78/32/531597832.db2.gz OAHJSQXTNNMELM-CQSZACIVSA-N 1 2 380.491 2.212 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000023402332 531597842 /nfs/dbraw/zinc/59/78/42/531597842.db2.gz OAHJSQXTNNMELM-CQSZACIVSA-N 1 2 380.491 2.212 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)sc2C1 ZINC000023606807 531598632 /nfs/dbraw/zinc/59/86/32/531598632.db2.gz MZJUFESRROYQHI-UHFFFAOYSA-N 1 2 387.433 2.380 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)sc2C1 ZINC000023606807 531598636 /nfs/dbraw/zinc/59/86/36/531598636.db2.gz MZJUFESRROYQHI-UHFFFAOYSA-N 1 2 387.433 2.380 20 0 GEADLO CCCN(C(=O)[C@@H](C)Sc1[nH+]cc2ccccn21)[C@@H]1CCS(=O)(=O)C1 ZINC000024311256 531603315 /nfs/dbraw/zinc/60/33/15/531603315.db2.gz VUAUMLGFYOISCT-UKRRQHHQSA-N 1 2 381.523 2.241 20 0 GEADLO C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000027359153 531624242 /nfs/dbraw/zinc/62/42/42/531624242.db2.gz IWPZBSSTBJENRP-LLVKDONJSA-N 1 2 381.937 2.114 20 0 GEADLO O=S(=O)(NCc1ccc[nH+]c1N1CCOCC1)c1ccc(F)cc1Cl ZINC000028042054 531629404 /nfs/dbraw/zinc/62/94/04/531629404.db2.gz KDAOJYAKRAVLPQ-UHFFFAOYSA-N 1 2 385.848 2.189 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1cccc(F)c1 ZINC000027965542 531629607 /nfs/dbraw/zinc/62/96/07/531629607.db2.gz DOZJBCSIVDNRFW-GFCCVEGCSA-N 1 2 383.836 2.014 20 0 GEADLO Cc1cc(Cl)ccc1OCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031941101 531647585 /nfs/dbraw/zinc/64/75/85/531647585.db2.gz SGYXXRHJBYFBJD-SFHVURJKSA-N 1 2 384.929 2.351 20 0 GEADLO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000030694373 531638128 /nfs/dbraw/zinc/63/81/28/531638128.db2.gz ZRTCFQRIAIWBDS-UHFFFAOYSA-N 1 2 382.917 2.301 20 0 GEADLO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000030694373 531638135 /nfs/dbraw/zinc/63/81/35/531638135.db2.gz ZRTCFQRIAIWBDS-UHFFFAOYSA-N 1 2 382.917 2.301 20 0 GEADLO CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000041638736 531668236 /nfs/dbraw/zinc/66/82/36/531668236.db2.gz DZMXQNPATVRQGW-UHFFFAOYSA-N 1 2 377.242 2.165 20 0 GEADLO Cc1cc(OCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1Cl ZINC000031940978 531648147 /nfs/dbraw/zinc/64/81/47/531648147.db2.gz XYQCGUNAVHGFGX-SFHVURJKSA-N 1 2 384.929 2.351 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000155120780 531658852 /nfs/dbraw/zinc/65/88/52/531658852.db2.gz KXKIBTRZJAVBMX-HNNXBMFYSA-N 1 2 380.539 2.499 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000155120780 531658862 /nfs/dbraw/zinc/65/88/62/531658862.db2.gz KXKIBTRZJAVBMX-HNNXBMFYSA-N 1 2 380.539 2.499 20 0 GEADLO Cc1ccn(C)c(=O)c1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000155234561 531666750 /nfs/dbraw/zinc/66/67/50/531666750.db2.gz JPZKWXTUDWVUDX-UHFFFAOYSA-N 1 2 390.241 2.426 20 0 GEADLO C[C@H](CNC(=O)Nc1cccc(I)c1)[NH+]1CCOCC1 ZINC000043317309 531680213 /nfs/dbraw/zinc/68/02/13/531680213.db2.gz LVUOKOFCFWAZMW-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO O=S(=O)(NCc1cn2cc(Cl)ccc2[nH+]1)c1cccc2nsnc21 ZINC000044790415 531688120 /nfs/dbraw/zinc/68/81/20/531688120.db2.gz AFJSXTDTLWSWJW-UHFFFAOYSA-N 1 2 379.854 2.471 20 0 GEADLO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000155549815 531688469 /nfs/dbraw/zinc/68/84/69/531688469.db2.gz IRTOSIJZTNIYDU-QWRGUYRKSA-N 1 2 389.315 2.017 20 0 GEADLO COC(=O)c1cccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000044790544 531688696 /nfs/dbraw/zinc/68/86/96/531688696.db2.gz WOFAURNUCZMITD-UHFFFAOYSA-N 1 2 379.825 2.253 20 0 GEADLO CCS[C@H]1CCC[C@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000156294504 531726335 /nfs/dbraw/zinc/72/63/35/531726335.db2.gz WHRAEBOOMSDDFN-CVEARBPZSA-N 1 2 384.567 2.426 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)s1)NCc1cn2ccccc2[nH+]1 ZINC000048350447 531730306 /nfs/dbraw/zinc/73/03/06/531730306.db2.gz YALVLKFMURJOEC-UHFFFAOYSA-N 1 2 393.266 2.205 20 0 GEADLO CCOCC[NH+]1CCN(S(=O)(=O)c2cccc(C)c2Br)CC1 ZINC000156082253 531713119 /nfs/dbraw/zinc/71/31/19/531713119.db2.gz VTLAQZFWIYUDPT-UHFFFAOYSA-N 1 2 391.331 2.100 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000047853726 531722132 /nfs/dbraw/zinc/72/21/32/531722132.db2.gz AQEOHBBMZWJKRG-UHFFFAOYSA-N 1 2 389.327 2.348 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000047853726 531722137 /nfs/dbraw/zinc/72/21/37/531722137.db2.gz AQEOHBBMZWJKRG-UHFFFAOYSA-N 1 2 389.327 2.348 20 0 GEADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+](C)Cc1cnc(C)s1 ZINC000052101016 531747825 /nfs/dbraw/zinc/74/78/25/531747825.db2.gz WHEANJDFTUHXMA-UHFFFAOYSA-N 1 2 380.539 2.110 20 0 GEADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000052101016 531747832 /nfs/dbraw/zinc/74/78/32/531747832.db2.gz WHEANJDFTUHXMA-UHFFFAOYSA-N 1 2 380.539 2.110 20 0 GEADLO COc1cccc([C@H](CNC(=O)c2csc(S(C)(=O)=O)c2)[NH+](C)C)c1 ZINC000157850136 531757664 /nfs/dbraw/zinc/75/76/64/531757664.db2.gz FNHUFHUPTFXCLO-HNNXBMFYSA-N 1 2 382.507 2.193 20 0 GEADLO Cn1c(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)nnc1C1CC1 ZINC000053429112 531763736 /nfs/dbraw/zinc/76/37/36/531763736.db2.gz VQMQUNKRHMAOMI-UHFFFAOYSA-N 1 2 378.527 2.476 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[NH2+]C(C)(C)c2ncc(C)s2)n1 ZINC000158097184 531765214 /nfs/dbraw/zinc/76/52/14/531765214.db2.gz GNHWVQQGAGNVMJ-UHFFFAOYSA-N 1 2 382.511 2.477 20 0 GEADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000055290698 531787054 /nfs/dbraw/zinc/78/70/54/531787054.db2.gz QNZKZAIWRGVEDK-CHWSQXEVSA-N 1 2 391.331 2.227 20 0 GEADLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc(Br)s2)C[C@H](C)O1 ZINC000055290761 531787403 /nfs/dbraw/zinc/78/74/03/531787403.db2.gz UFANSEIFFDOMAP-QWRGUYRKSA-N 1 2 397.360 2.288 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000055291399 531787709 /nfs/dbraw/zinc/78/77/09/531787709.db2.gz OAHJSQXTNNMELM-AWEZNQCLSA-N 1 2 380.491 2.212 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000055291399 531787712 /nfs/dbraw/zinc/78/77/12/531787712.db2.gz OAHJSQXTNNMELM-AWEZNQCLSA-N 1 2 380.491 2.212 20 0 GEADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccccc2Br)C[C@@H](C)O1 ZINC000055290742 531787999 /nfs/dbraw/zinc/78/79/99/531787999.db2.gz NWOBKTSQNOYEHX-CHWSQXEVSA-N 1 2 391.331 2.227 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(Br)s2)C[C@H](C)O1 ZINC000055290759 531788136 /nfs/dbraw/zinc/78/81/36/531788136.db2.gz UFANSEIFFDOMAP-PHIMTYICSA-N 1 2 397.360 2.288 20 0 GEADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Br)s2)C[C@H](C)O1 ZINC000055290759 531788138 /nfs/dbraw/zinc/78/81/38/531788138.db2.gz UFANSEIFFDOMAP-PHIMTYICSA-N 1 2 397.360 2.288 20 0 GEADLO CCc1ccc(S(=O)(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)s1 ZINC000056064671 531804278 /nfs/dbraw/zinc/80/42/78/531804278.db2.gz YAZIZAGATRTLLO-ZDUSSCGKSA-N 1 2 381.523 2.409 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCOc1cccc(Cl)c1Cl ZINC000056908744 531815591 /nfs/dbraw/zinc/81/55/91/531815591.db2.gz AILZEIPUTVXDTR-GFCCVEGCSA-N 1 2 376.284 2.392 20 0 GEADLO Cc1noc(CN2CC[NH+](CCOc3ccc(Br)cc3)CC2)n1 ZINC000058194606 531827833 /nfs/dbraw/zinc/82/78/33/531827833.db2.gz PDOODOUNJSUHPB-UHFFFAOYSA-N 1 2 381.274 2.337 20 0 GEADLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccc1Cl ZINC000057680453 531821731 /nfs/dbraw/zinc/82/17/31/531821731.db2.gz SWZWQAMAMIBMCS-INIZCTEOSA-N 1 2 381.885 2.020 20 0 GEADLO CCOC(=O)CCCNC(=O)C[N@H+](C)Cc1cc(Br)ccc1F ZINC000063742328 531860908 /nfs/dbraw/zinc/86/09/08/531860908.db2.gz LWXMWZJXZMVIGZ-UHFFFAOYSA-N 1 2 389.265 2.480 20 0 GEADLO CCOC(=O)CCCNC(=O)C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000063742328 531860913 /nfs/dbraw/zinc/86/09/13/531860913.db2.gz LWXMWZJXZMVIGZ-UHFFFAOYSA-N 1 2 389.265 2.480 20 0 GEADLO CC(=O)N1CCC(NC(=O)C[N@@H+](C)Cc2csc(Br)c2)CC1 ZINC000064994156 531872157 /nfs/dbraw/zinc/87/21/57/531872157.db2.gz WHQUFHCFGBVCER-UHFFFAOYSA-N 1 2 388.331 2.070 20 0 GEADLO CC(=O)N1CCC(NC(=O)C[N@H+](C)Cc2csc(Br)c2)CC1 ZINC000064994156 531872159 /nfs/dbraw/zinc/87/21/59/531872159.db2.gz WHQUFHCFGBVCER-UHFFFAOYSA-N 1 2 388.331 2.070 20 0 GEADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000067127017 531877168 /nfs/dbraw/zinc/87/71/68/531877168.db2.gz QOWDJTJNDWZWOV-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO CSc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)cc1 ZINC000067117812 531877395 /nfs/dbraw/zinc/87/73/95/531877395.db2.gz HNKFYIKAMIIFKE-INIZCTEOSA-N 1 2 379.551 2.387 20 0 GEADLO CSc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)cc1 ZINC000067117812 531877400 /nfs/dbraw/zinc/87/74/00/531877400.db2.gz HNKFYIKAMIIFKE-INIZCTEOSA-N 1 2 379.551 2.387 20 0 GEADLO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000170912502 531893420 /nfs/dbraw/zinc/89/34/20/531893420.db2.gz HVHKEBACBCFIOV-MRXNPFEDSA-N 1 2 390.281 2.467 20 0 GEADLO CNC(=O)c1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000170912502 531893435 /nfs/dbraw/zinc/89/34/35/531893435.db2.gz HVHKEBACBCFIOV-MRXNPFEDSA-N 1 2 390.281 2.467 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(CC(=O)NCCOC)CC1 ZINC000171678155 531912801 /nfs/dbraw/zinc/91/28/01/531912801.db2.gz GHQDTEPNQAMTDA-KRWDZBQOSA-N 1 2 398.345 2.280 20 0 GEADLO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000078922350 531920631 /nfs/dbraw/zinc/92/06/31/531920631.db2.gz RCCNPQIOHATWGD-AWEZNQCLSA-N 1 2 375.252 2.046 20 0 GEADLO COC(=O)CNC(=O)CC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000078922350 531920638 /nfs/dbraw/zinc/92/06/38/531920638.db2.gz RCCNPQIOHATWGD-AWEZNQCLSA-N 1 2 375.252 2.046 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](Cc2cc3c(c(Br)c2)OCO3)C2CC2)C1 ZINC000171935812 531924122 /nfs/dbraw/zinc/92/41/22/531924122.db2.gz FSZVOGNWUVSSNH-LBPRGKRZSA-N 1 2 388.283 2.329 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](Cc2cc3c(c(Br)c2)OCO3)C2CC2)C1 ZINC000171935812 531924128 /nfs/dbraw/zinc/92/41/28/531924128.db2.gz FSZVOGNWUVSSNH-LBPRGKRZSA-N 1 2 388.283 2.329 20 0 GEADLO O=C(C[NH+]1CCN(Cc2ccc(Br)cn2)CC1)N1CCCCCC1 ZINC000171959245 531926606 /nfs/dbraw/zinc/92/66/06/531926606.db2.gz CESGVLRCSSUUKF-UHFFFAOYSA-N 1 2 395.345 2.364 20 0 GEADLO COCCCn1c(=O)[nH]nc1SCc1cn2cc(Br)ccc2[nH+]1 ZINC000071919434 531915705 /nfs/dbraw/zinc/91/57/05/531915705.db2.gz FTMVDRKKQIAXEI-UHFFFAOYSA-N 1 2 398.286 2.310 20 0 GEADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(Br)cn2)C1 ZINC000171972754 531927452 /nfs/dbraw/zinc/92/74/52/531927452.db2.gz JSKPYLRILQCDAZ-CYBMUJFWSA-N 1 2 398.301 2.078 20 0 GEADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(Br)cn2)C1 ZINC000171972754 531927459 /nfs/dbraw/zinc/92/74/59/531927459.db2.gz JSKPYLRILQCDAZ-CYBMUJFWSA-N 1 2 398.301 2.078 20 0 GEADLO CCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H](C)CS(=O)(=O)CC ZINC000172234330 531941786 /nfs/dbraw/zinc/94/17/86/531941786.db2.gz RTYHQZINEVWRLM-KBPBESRZSA-N 1 2 375.560 2.206 20 0 GEADLO C[C@@H](CS(C)(=O)=O)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000172241127 531941833 /nfs/dbraw/zinc/94/18/33/531941833.db2.gz ZNKRYOVDRLQCAA-ZDUSSCGKSA-N 1 2 387.933 2.037 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000109149243 531943062 /nfs/dbraw/zinc/94/30/62/531943062.db2.gz XLTNVBVNYCGOBX-UHFFFAOYSA-N 1 2 380.495 2.142 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000109149243 531943066 /nfs/dbraw/zinc/94/30/66/531943066.db2.gz XLTNVBVNYCGOBX-UHFFFAOYSA-N 1 2 380.495 2.142 20 0 GEADLO O[C@H](COC1CCOCC1)C[N@@H+]1CCc2cc(Br)sc2C1 ZINC000119258954 531963124 /nfs/dbraw/zinc/96/31/24/531963124.db2.gz WATXSGIEWSVEJK-LBPRGKRZSA-N 1 2 376.316 2.425 20 0 GEADLO O[C@H](COC1CCOCC1)C[N@H+]1CCc2cc(Br)sc2C1 ZINC000119258954 531963129 /nfs/dbraw/zinc/96/31/29/531963129.db2.gz WATXSGIEWSVEJK-LBPRGKRZSA-N 1 2 376.316 2.425 20 0 GEADLO O[C@@H](COC1CCOCC1)C[N@@H+]1CCc2cc(Br)sc2C1 ZINC000119259105 531963929 /nfs/dbraw/zinc/96/39/29/531963929.db2.gz WATXSGIEWSVEJK-GFCCVEGCSA-N 1 2 376.316 2.425 20 0 GEADLO O[C@@H](COC1CCOCC1)C[N@H+]1CCc2cc(Br)sc2C1 ZINC000119259105 531963935 /nfs/dbraw/zinc/96/39/35/531963935.db2.gz WATXSGIEWSVEJK-GFCCVEGCSA-N 1 2 376.316 2.425 20 0 GEADLO COc1ccc(Br)cc1/C=C/C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172748567 531966951 /nfs/dbraw/zinc/96/69/51/531966951.db2.gz RRVBBWUCNYWJPO-OUGHUQCRSA-N 1 2 395.297 2.404 20 0 GEADLO COC[C@@H](C)[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000120611857 531986448 /nfs/dbraw/zinc/98/64/48/531986448.db2.gz RMKVOQXIPFRENZ-LLVKDONJSA-N 1 2 397.360 2.242 20 0 GEADLO COC[C@@H](C)[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000120611857 531986452 /nfs/dbraw/zinc/98/64/52/531986452.db2.gz RMKVOQXIPFRENZ-LLVKDONJSA-N 1 2 397.360 2.242 20 0 GEADLO CN(C)C(=O)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000120666832 531988124 /nfs/dbraw/zinc/98/81/24/531988124.db2.gz JPGZTWUVZKPRMS-ZDUSSCGKSA-N 1 2 376.284 2.032 20 0 GEADLO CN(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000120667011 531988467 /nfs/dbraw/zinc/98/84/67/531988467.db2.gz JPGZTWUVZKPRMS-CYBMUJFWSA-N 1 2 376.284 2.032 20 0 GEADLO CCN(CC)C(=O)C[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000120810191 531996148 /nfs/dbraw/zinc/99/61/48/531996148.db2.gz PYMPYKXUBYVUQQ-UHFFFAOYSA-N 1 2 390.347 2.269 20 0 GEADLO CCN(CC)C(=O)C[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000120810191 531996156 /nfs/dbraw/zinc/99/61/56/531996156.db2.gz PYMPYKXUBYVUQQ-UHFFFAOYSA-N 1 2 390.347 2.269 20 0 GEADLO Cc1cccc(NC(=O)C(=O)NCc2ccc[nH+]c2N(C)C)c1Br ZINC000120925736 532002266 /nfs/dbraw/zinc/00/22/66/532002266.db2.gz CKIGNPONVDKHML-UHFFFAOYSA-N 1 2 391.269 2.473 20 0 GEADLO CCCCN(C(=O)C[NH2+]C(C)(C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000173425150 532009224 /nfs/dbraw/zinc/00/92/24/532009224.db2.gz AXUAEDCKHMPDJY-CQSZACIVSA-N 1 2 387.571 2.092 20 0 GEADLO Cn1cc(S(=O)(=O)NCC[N@H+](Cc2ccco2)Cc2cccs2)cn1 ZINC000173456905 532012670 /nfs/dbraw/zinc/01/26/70/532012670.db2.gz ZMWCSWYGIQIXOL-UHFFFAOYSA-N 1 2 380.495 2.055 20 0 GEADLO Cn1cc(S(=O)(=O)NCC[N@@H+](Cc2ccco2)Cc2cccs2)cn1 ZINC000173456905 532012674 /nfs/dbraw/zinc/01/26/74/532012674.db2.gz ZMWCSWYGIQIXOL-UHFFFAOYSA-N 1 2 380.495 2.055 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173544481 532018531 /nfs/dbraw/zinc/01/85/31/532018531.db2.gz ZQGGBJCMXAKJMX-GFCCVEGCSA-N 1 2 379.309 2.336 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173541908 532018602 /nfs/dbraw/zinc/01/86/02/532018602.db2.gz IJWCBMMMQDMTOU-LBPRGKRZSA-N 1 2 379.309 2.336 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c(C)c1C ZINC000173547656 532019712 /nfs/dbraw/zinc/01/97/12/532019712.db2.gz QELIXJONWBGCIB-OAHLLOKOSA-N 1 2 387.571 2.406 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c(C)c1C ZINC000173547656 532019720 /nfs/dbraw/zinc/01/97/20/532019720.db2.gz QELIXJONWBGCIB-OAHLLOKOSA-N 1 2 387.571 2.406 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)c1ncc(Br)cc1Br ZINC000121468569 532030218 /nfs/dbraw/zinc/03/02/18/532030218.db2.gz HITAIJFXNDSCGL-UHFFFAOYSA-N 1 2 388.063 2.313 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)n1 ZINC000173773200 532032597 /nfs/dbraw/zinc/03/25/97/532032597.db2.gz SQAZPLVQFTYMEA-UHFFFAOYSA-N 1 2 379.404 2.462 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)S1 ZINC000173800238 532033439 /nfs/dbraw/zinc/03/34/39/532033439.db2.gz ULQQUYSUKZAWEC-CYBMUJFWSA-N 1 2 376.507 2.032 20 0 GEADLO O=C(CSc1nncs1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000121622520 532038691 /nfs/dbraw/zinc/03/86/91/532038691.db2.gz LLHLATVLKOTCMM-UHFFFAOYSA-N 1 2 397.957 2.222 20 0 GEADLO CC(C)OCCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000174005007 532044809 /nfs/dbraw/zinc/04/48/09/532044809.db2.gz XTCZRMUVGDPPRH-UHFFFAOYSA-N 1 2 376.469 2.274 20 0 GEADLO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000174237322 532056656 /nfs/dbraw/zinc/05/66/56/532056656.db2.gz RETAXOWWMOLGRA-UHFFFAOYSA-N 1 2 380.436 2.414 20 0 GEADLO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000174237322 532056667 /nfs/dbraw/zinc/05/66/67/532056667.db2.gz RETAXOWWMOLGRA-UHFFFAOYSA-N 1 2 380.436 2.414 20 0 GEADLO Cc1nc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)no1 ZINC000122263132 532062199 /nfs/dbraw/zinc/06/21/99/532062199.db2.gz ZVBVGANOUGBUGA-NSHDSACASA-N 1 2 380.246 2.386 20 0 GEADLO Cc1nc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)no1 ZINC000122263132 532062207 /nfs/dbraw/zinc/06/22/07/532062207.db2.gz ZVBVGANOUGBUGA-NSHDSACASA-N 1 2 380.246 2.386 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1Br ZINC000174472505 532066860 /nfs/dbraw/zinc/06/68/60/532066860.db2.gz VGWRDTQKRYALCR-LBPRGKRZSA-N 1 2 385.306 2.232 20 0 GEADLO CC(C)[C@H](CNC(=O)c1cc(Br)ccc1O)[NH+]1CCN(C)CC1 ZINC000174604795 532070973 /nfs/dbraw/zinc/07/09/73/532070973.db2.gz HQJKOBXHNWXZJZ-HNNXBMFYSA-N 1 2 384.318 2.157 20 0 GEADLO CC(C)[C@H](CNC(=O)c1cc(Br)ccc1O)N1CC[NH+](C)CC1 ZINC000174604795 532070977 /nfs/dbraw/zinc/07/09/77/532070977.db2.gz HQJKOBXHNWXZJZ-HNNXBMFYSA-N 1 2 384.318 2.157 20 0 GEADLO C[N@@H+]1CCO[C@H](C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000174786130 532078510 /nfs/dbraw/zinc/07/85/10/532078510.db2.gz GBQVIBDJZUZTHL-NSHDSACASA-N 1 2 383.271 2.237 20 0 GEADLO C[N@H+]1CCO[C@H](C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000174786130 532078513 /nfs/dbraw/zinc/07/85/13/532078513.db2.gz GBQVIBDJZUZTHL-NSHDSACASA-N 1 2 383.271 2.237 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(Br)s1 ZINC000122563797 532075909 /nfs/dbraw/zinc/07/59/09/532075909.db2.gz VJKQEUOKUJORAU-GHMZBOCLSA-N 1 2 395.344 2.042 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(Br)s1 ZINC000122563797 532075917 /nfs/dbraw/zinc/07/59/17/532075917.db2.gz VJKQEUOKUJORAU-GHMZBOCLSA-N 1 2 395.344 2.042 20 0 GEADLO CC(=O)N[C@@H](CC(=O)NCCc1[nH]cc[nH+]1)c1ccc(Br)cc1 ZINC000174748589 532077214 /nfs/dbraw/zinc/07/72/14/532077214.db2.gz OLDCMENBOWYUAZ-AWEZNQCLSA-N 1 2 379.258 2.098 20 0 GEADLO Cc1c(Br)cccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000175301700 532097969 /nfs/dbraw/zinc/09/79/69/532097969.db2.gz LKDZNJOVCIZGBW-GFCCVEGCSA-N 1 2 391.331 2.004 20 0 GEADLO O=C(CSCC(=O)Nc1cccc(Br)c1)NCCc1[nH]cc[nH+]1 ZINC000175351045 532100982 /nfs/dbraw/zinc/10/09/82/532100982.db2.gz NEDKQHIPHVXBCJ-UHFFFAOYSA-N 1 2 397.298 2.203 20 0 GEADLO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000123774446 532107590 /nfs/dbraw/zinc/10/75/90/532107590.db2.gz OGIVMAOSTDDAAQ-LBPRGKRZSA-N 1 2 386.901 2.183 20 0 GEADLO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000123774446 532107593 /nfs/dbraw/zinc/10/75/93/532107593.db2.gz OGIVMAOSTDDAAQ-LBPRGKRZSA-N 1 2 386.901 2.183 20 0 GEADLO C[C@@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)S(C)(=O)=O ZINC000123940263 532110570 /nfs/dbraw/zinc/11/05/70/532110570.db2.gz BBHJNHOESGBCRC-JVLSTEMRSA-N 1 2 376.881 2.021 20 0 GEADLO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)S(C)(=O)=O ZINC000123940263 532110575 /nfs/dbraw/zinc/11/05/75/532110575.db2.gz BBHJNHOESGBCRC-JVLSTEMRSA-N 1 2 376.881 2.021 20 0 GEADLO C[C@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 ZINC000175645519 532110563 /nfs/dbraw/zinc/11/05/63/532110563.db2.gz AODYPLKUKCNRKP-ZDUSSCGKSA-N 1 2 379.917 2.233 20 0 GEADLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175885640 532119137 /nfs/dbraw/zinc/11/91/37/532119137.db2.gz APELAACYSWRZCH-DMDPSCGWSA-N 1 2 385.295 2.269 20 0 GEADLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175885640 532119140 /nfs/dbraw/zinc/11/91/40/532119140.db2.gz APELAACYSWRZCH-DMDPSCGWSA-N 1 2 385.295 2.269 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)C(=O)Nc3nc(C)cs3)CC2)s1 ZINC000176054629 532123616 /nfs/dbraw/zinc/12/36/16/532123616.db2.gz IPWZNABMRJUVSM-UHFFFAOYSA-N 1 2 378.523 2.358 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccncc1Br ZINC000124615370 532125536 /nfs/dbraw/zinc/12/55/36/532125536.db2.gz AFFAPGNKJIFOTL-OAHLLOKOSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccncc1Br ZINC000124615370 532125542 /nfs/dbraw/zinc/12/55/42/532125542.db2.gz AFFAPGNKJIFOTL-OAHLLOKOSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(Nc1ccccc1Br)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000124648725 532126218 /nfs/dbraw/zinc/12/62/18/532126218.db2.gz HQBMGAACDDCSMM-GFCCVEGCSA-N 1 2 389.253 2.178 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCc1ccc(Cl)cc1Cl ZINC000176565076 532141607 /nfs/dbraw/zinc/14/16/07/532141607.db2.gz GLUNRAAMANNQKF-OAHLLOKOSA-N 1 2 375.296 2.078 20 0 GEADLO C[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(Cl)c(F)c1 ZINC000127670748 532155474 /nfs/dbraw/zinc/15/54/74/532155474.db2.gz OITLNWDDCNUMCH-UHFFFAOYSA-N 1 2 385.848 2.197 20 0 GEADLO C[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(Cl)c(F)c1 ZINC000127670748 532155480 /nfs/dbraw/zinc/15/54/80/532155480.db2.gz OITLNWDDCNUMCH-UHFFFAOYSA-N 1 2 385.848 2.197 20 0 GEADLO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3cc(Br)ccc3O)C2)CC1 ZINC000176676497 532145497 /nfs/dbraw/zinc/14/54/97/532145497.db2.gz CEDLCSNJOWZZOQ-OAHLLOKOSA-N 1 2 396.329 2.397 20 0 GEADLO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3cc(Br)ccc3O)C2)CC1 ZINC000176676497 532145510 /nfs/dbraw/zinc/14/55/10/532145510.db2.gz CEDLCSNJOWZZOQ-OAHLLOKOSA-N 1 2 396.329 2.397 20 0 GEADLO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)cc1N(C)C ZINC000126491324 532149846 /nfs/dbraw/zinc/14/98/46/532149846.db2.gz BIJROALCCWHWSH-UHFFFAOYSA-N 1 2 379.551 2.459 20 0 GEADLO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)cc1N(C)C ZINC000126491324 532149848 /nfs/dbraw/zinc/14/98/48/532149848.db2.gz BIJROALCCWHWSH-UHFFFAOYSA-N 1 2 379.551 2.459 20 0 GEADLO CNC(=O)CCN(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000177342200 532168597 /nfs/dbraw/zinc/16/85/97/532168597.db2.gz HXLKIKAYYIVTKG-MRXNPFEDSA-N 1 2 382.302 2.181 20 0 GEADLO O=C(CS(=O)(=O)Cc1cn2ccccc2[nH+]1)NCc1ccc(Cl)s1 ZINC000177674845 532178352 /nfs/dbraw/zinc/17/83/52/532178352.db2.gz MSHOXVMVIJYJDU-UHFFFAOYSA-N 1 2 383.882 2.280 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)Cc1cc(Cl)ccc1F)[NH+]1CCN(C)CC1 ZINC000131314914 532195497 /nfs/dbraw/zinc/19/54/97/532195497.db2.gz SAWDRADCGPWFSW-QGZVFWFLSA-N 1 2 391.940 2.171 20 0 GEADLO C[C@@H]1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000131473366 532197467 /nfs/dbraw/zinc/19/74/67/532197467.db2.gz SGXLTTURYHMEIU-BXUZGUMPSA-N 1 2 394.273 2.459 20 0 GEADLO CCC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000178283565 532198065 /nfs/dbraw/zinc/19/80/65/532198065.db2.gz WTJHGALUNQIUOG-GFCCVEGCSA-N 1 2 378.947 2.259 20 0 GEADLO CCC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000178283565 532198067 /nfs/dbraw/zinc/19/80/67/532198067.db2.gz WTJHGALUNQIUOG-GFCCVEGCSA-N 1 2 378.947 2.259 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)NCc2ccn3cc[nH+]c3c2)ccc1Cl ZINC000178377540 532199666 /nfs/dbraw/zinc/19/96/66/532199666.db2.gz RENUENPTBKZQGH-UHFFFAOYSA-N 1 2 378.841 2.289 20 0 GEADLO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)n1 ZINC000177916734 532186496 /nfs/dbraw/zinc/18/64/96/532186496.db2.gz VGUYKYHPCIYLLL-GFCCVEGCSA-N 1 2 382.511 2.056 20 0 GEADLO CN(C)c1ccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)cn1 ZINC000130010419 532187768 /nfs/dbraw/zinc/18/77/68/532187768.db2.gz OWTLACCNLYROSU-UHFFFAOYSA-N 1 2 378.274 2.376 20 0 GEADLO CN(C)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)cn1 ZINC000130010419 532187770 /nfs/dbraw/zinc/18/77/70/532187770.db2.gz OWTLACCNLYROSU-UHFFFAOYSA-N 1 2 378.274 2.376 20 0 GEADLO Cc1cccc2[nH+]c(CNC(=O)Nc3cc(Br)cn(C)c3=O)cn21 ZINC000177980356 532188919 /nfs/dbraw/zinc/18/89/19/532188919.db2.gz GIEMBBGQSHMNLB-UHFFFAOYSA-N 1 2 390.241 2.426 20 0 GEADLO O=C(CCCCOc1ccc(Br)cc1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178656523 532209327 /nfs/dbraw/zinc/20/93/27/532209327.db2.gz STMLYTZWFFAYFP-INIZCTEOSA-N 1 2 396.329 2.114 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1ccc(Br)nc1 ZINC000178820730 532213580 /nfs/dbraw/zinc/21/35/80/532213580.db2.gz OSTFJNLKSKSUOW-UHFFFAOYSA-N 1 2 392.257 2.397 20 0 GEADLO COc1ccc(OCc2nc(C[NH2+]C[C@@H]3CCCS3(=O)=O)cs2)cc1 ZINC000131759221 532203111 /nfs/dbraw/zinc/20/31/11/532203111.db2.gz ZIKDVPFCUKSDTC-INIZCTEOSA-N 1 2 382.507 2.398 20 0 GEADLO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cnn2cc(Br)cnc12 ZINC000179384892 532229378 /nfs/dbraw/zinc/22/93/78/532229378.db2.gz IWPVNEAJAWLUNK-UHFFFAOYSA-N 1 2 398.224 2.003 20 0 GEADLO Cc1cc(Br)ccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000133350558 532232681 /nfs/dbraw/zinc/23/26/81/532232681.db2.gz YPPGTPSFAOLIQL-GFCCVEGCSA-N 1 2 391.331 2.004 20 0 GEADLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cc(Br)c2c(c1)OCCO2 ZINC000179487520 532232779 /nfs/dbraw/zinc/23/27/79/532232779.db2.gz ZQTIBRGPJVARSU-CQSZACIVSA-N 1 2 381.270 2.463 20 0 GEADLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cc(Br)c2c(c1)OCCO2 ZINC000179487520 532232785 /nfs/dbraw/zinc/23/27/85/532232785.db2.gz ZQTIBRGPJVARSU-CQSZACIVSA-N 1 2 381.270 2.463 20 0 GEADLO COCC[N@H+](CC(=O)N(C)C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179671861 532241153 /nfs/dbraw/zinc/24/11/53/532241153.db2.gz JZZXHCWATDFFAF-UHFFFAOYSA-N 1 2 395.301 2.171 20 0 GEADLO COCC[N@@H+](CC(=O)N(C)C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179671861 532241156 /nfs/dbraw/zinc/24/11/56/532241156.db2.gz JZZXHCWATDFFAF-UHFFFAOYSA-N 1 2 395.301 2.171 20 0 GEADLO O=C(C[C@H](O)c1ccc(Cl)cc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000179730570 532241976 /nfs/dbraw/zinc/24/19/76/532241976.db2.gz MULYVFUSJPBASG-FUHWJXTLSA-N 1 2 384.929 2.088 20 0 GEADLO C[C@@H](Cn1cc(Br)cn1)Nc1cccc(CN2CCOCC2)[nH+]1 ZINC000179766257 532242624 /nfs/dbraw/zinc/24/26/24/532242624.db2.gz NNPSFZAOMQLUTE-ZDUSSCGKSA-N 1 2 380.290 2.373 20 0 GEADLO CC[C@](C)([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C(N)=O ZINC000133843425 532243657 /nfs/dbraw/zinc/24/36/57/532243657.db2.gz DGOFMQZQPJGNNU-ZDUSSCGKSA-N 1 2 376.770 2.078 20 0 GEADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc(Br)cc1C(F)(F)F ZINC000179779836 532244398 /nfs/dbraw/zinc/24/43/98/532244398.db2.gz BDELMPSVIDWQCM-NSHDSACASA-N 1 2 392.219 2.198 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000179841614 532247104 /nfs/dbraw/zinc/24/71/04/532247104.db2.gz XUPVREJOQQIPIK-UHFFFAOYSA-N 1 2 392.257 2.151 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000134084997 532249569 /nfs/dbraw/zinc/24/95/69/532249569.db2.gz BIQNXTDAVPAWHH-UHFFFAOYSA-N 1 2 393.285 2.039 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000134333916 532255106 /nfs/dbraw/zinc/25/51/06/532255106.db2.gz NFXORBWAAQUQMP-AWEZNQCLSA-N 1 2 379.295 2.490 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000134333916 532255111 /nfs/dbraw/zinc/25/51/11/532255111.db2.gz NFXORBWAAQUQMP-AWEZNQCLSA-N 1 2 379.295 2.490 20 0 GEADLO CCCn1c(C)nnc1SCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000134466766 532257762 /nfs/dbraw/zinc/25/77/62/532257762.db2.gz JOIIDTBMLOJJEM-UHFFFAOYSA-N 1 2 379.555 2.495 20 0 GEADLO C[C@@H](NC(=O)NCCOc1ncc(Cl)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000134767537 532262654 /nfs/dbraw/zinc/26/26/54/532262654.db2.gz IXDHQUAEBKRTQL-NEPJUHHUSA-N 1 2 391.299 2.176 20 0 GEADLO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1(C(N)=O)CCCC1 ZINC000180706268 532278765 /nfs/dbraw/zinc/27/87/65/532278765.db2.gz RUFPWQSAMGLGKF-UHFFFAOYSA-N 1 2 390.228 2.396 20 0 GEADLO C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1(C(N)=O)CCCC1 ZINC000180706268 532278768 /nfs/dbraw/zinc/27/87/68/532278768.db2.gz RUFPWQSAMGLGKF-UHFFFAOYSA-N 1 2 390.228 2.396 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135724551 532279241 /nfs/dbraw/zinc/27/92/41/532279241.db2.gz QLBWEKSSEBNSBI-HNNXBMFYSA-N 1 2 385.917 2.087 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135724551 532279245 /nfs/dbraw/zinc/27/92/45/532279245.db2.gz QLBWEKSSEBNSBI-HNNXBMFYSA-N 1 2 385.917 2.087 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc(Cl)c1OC ZINC000180744591 532279577 /nfs/dbraw/zinc/27/95/77/532279577.db2.gz FXNULJHTOLEBOZ-CQSZACIVSA-N 1 2 388.917 2.357 20 0 GEADLO COc1cc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc(Cl)c1OC ZINC000180744591 532279580 /nfs/dbraw/zinc/27/95/80/532279580.db2.gz FXNULJHTOLEBOZ-CQSZACIVSA-N 1 2 388.917 2.357 20 0 GEADLO Cc1ccc(S(=O)(=O)CCC[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000180806716 532281360 /nfs/dbraw/zinc/28/13/60/532281360.db2.gz OWBCULJVYKBIHO-MSOLQXFVSA-N 1 2 387.567 2.446 20 0 GEADLO Cc1ccc(S(=O)(=O)CCC[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000180806716 532281363 /nfs/dbraw/zinc/28/13/63/532281363.db2.gz OWBCULJVYKBIHO-MSOLQXFVSA-N 1 2 387.567 2.446 20 0 GEADLO O=C([C@H]1COc2ccc(Br)cc21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000136227228 532282348 /nfs/dbraw/zinc/28/23/48/532282348.db2.gz FWXNTBMLOHXSEQ-HOCLYGCPSA-N 1 2 395.297 2.248 20 0 GEADLO COc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)nc1Br ZINC000181152897 532292037 /nfs/dbraw/zinc/29/20/37/532292037.db2.gz MDOWOMJBAFVFBQ-ZDUSSCGKSA-N 1 2 398.301 2.180 20 0 GEADLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000141046385 532294883 /nfs/dbraw/zinc/29/48/83/532294883.db2.gz XCSYNYJBGDBKMK-WCQYABFASA-N 1 2 376.341 2.423 20 0 GEADLO CSc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000145256876 532297561 /nfs/dbraw/zinc/29/75/61/532297561.db2.gz SSVVWNJWTMWKIP-UHFFFAOYSA-N 1 2 379.507 2.119 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000181520541 532299924 /nfs/dbraw/zinc/29/99/24/532299924.db2.gz BNHVMBXJQOBLDG-LLVKDONJSA-N 1 2 395.308 2.251 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000181520541 532299929 /nfs/dbraw/zinc/29/99/29/532299929.db2.gz BNHVMBXJQOBLDG-LLVKDONJSA-N 1 2 395.308 2.251 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000181518347 532300313 /nfs/dbraw/zinc/30/03/13/532300313.db2.gz SONFBEDTMXDXBJ-LLVKDONJSA-N 1 2 395.308 2.251 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000181518347 532300315 /nfs/dbraw/zinc/30/03/15/532300315.db2.gz SONFBEDTMXDXBJ-LLVKDONJSA-N 1 2 395.308 2.251 20 0 GEADLO O=C(c1cc(F)c(F)cc1I)N1CC[NH+](C2CC2)CC1 ZINC000150850847 532302964 /nfs/dbraw/zinc/30/29/64/532302964.db2.gz AGTZLESEIBKPIN-UHFFFAOYSA-N 1 2 392.187 2.490 20 0 GEADLO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000181692857 532305089 /nfs/dbraw/zinc/30/50/89/532305089.db2.gz SQTRHWNOQZGHLD-GFCCVEGCSA-N 1 2 375.281 2.062 20 0 GEADLO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000181690419 532305168 /nfs/dbraw/zinc/30/51/68/532305168.db2.gz NPVXYAYPJVOTCN-CQSZACIVSA-N 1 2 375.281 2.062 20 0 GEADLO C[C@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1c(F)cccc1Cl ZINC000181758698 532305941 /nfs/dbraw/zinc/30/59/41/532305941.db2.gz MNTXGTSPSYHRAA-JTQLQIEISA-N 1 2 385.848 2.416 20 0 GEADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cc(Br)ccc3F)C2)CC1 ZINC000137694742 532291068 /nfs/dbraw/zinc/29/10/68/532291068.db2.gz HAMAXBUUPVRMON-MRXNPFEDSA-N 1 2 398.320 2.369 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000182104607 532308965 /nfs/dbraw/zinc/30/89/65/532308965.db2.gz ARUBCWHTIFKGTI-AWEZNQCLSA-N 1 2 382.251 2.295 20 0 GEADLO C[C@](O)(C[NH+]1CCN(c2cccs2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000182455313 532313648 /nfs/dbraw/zinc/31/36/48/532313648.db2.gz JYWRCNICRKZAFW-SFHVURJKSA-N 1 2 380.535 2.181 20 0 GEADLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1nnnn1-c1ccccc1Br ZINC000182650528 532316000 /nfs/dbraw/zinc/31/60/00/532316000.db2.gz UXQVFBFTMSTNIU-NSHDSACASA-N 1 2 382.262 2.198 20 0 GEADLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1nnnn1-c1ccccc1Br ZINC000182650528 532316003 /nfs/dbraw/zinc/31/60/03/532316003.db2.gz UXQVFBFTMSTNIU-NSHDSACASA-N 1 2 382.262 2.198 20 0 GEADLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)CC1 ZINC000183018421 532321276 /nfs/dbraw/zinc/32/12/76/532321276.db2.gz WYFAPBAHJRQUJI-UHFFFAOYSA-N 1 2 391.331 2.100 20 0 GEADLO Cc1ccc(CS(=O)(=O)Cc2cc(=O)n3cc(Cl)ccc3n2)c(C)[nH+]1 ZINC000185175036 532337005 /nfs/dbraw/zinc/33/70/05/532337005.db2.gz OLVAYIQDAWQYTF-UHFFFAOYSA-N 1 2 377.853 2.475 20 0 GEADLO COC(=O)C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000186875447 532342367 /nfs/dbraw/zinc/34/23/67/532342367.db2.gz UMKFKDQDEUGVBV-AWEZNQCLSA-N 1 2 380.242 2.146 20 0 GEADLO COCCc1noc(C[N@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)n1 ZINC000187161476 532343346 /nfs/dbraw/zinc/34/33/46/532343346.db2.gz CCPUGPBKTGXWPS-CYBMUJFWSA-N 1 2 388.237 2.326 20 0 GEADLO COCCc1noc(C[N@@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)n1 ZINC000187161476 532343347 /nfs/dbraw/zinc/34/33/47/532343347.db2.gz CCPUGPBKTGXWPS-CYBMUJFWSA-N 1 2 388.237 2.326 20 0 GEADLO Cc1cc(=O)n2nc(C[NH2+][C@H](CO)c3cccc(Br)c3)sc2n1 ZINC000183910890 532329890 /nfs/dbraw/zinc/32/98/90/532329890.db2.gz QUACCBAZUUSZLY-GFCCVEGCSA-N 1 2 395.282 2.045 20 0 GEADLO C[C@H]([NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)c1nccs1 ZINC000184414120 532332709 /nfs/dbraw/zinc/33/27/09/532332709.db2.gz DCPOLCPIATZDJS-DZGCQCFKSA-N 1 2 385.555 2.142 20 0 GEADLO C[C@@H]1CCCN1S(=O)(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000184872926 532335179 /nfs/dbraw/zinc/33/51/79/532335179.db2.gz YPIPKFUQOCJQJV-OAHLLOKOSA-N 1 2 387.933 2.066 20 0 GEADLO O[C@H](C[NH+]1CCN(c2ncccn2)CC1)c1ccc(F)c(Br)c1 ZINC000184909368 532335624 /nfs/dbraw/zinc/33/56/24/532335624.db2.gz JKSCWCXPANRUBQ-OAHLLOKOSA-N 1 2 381.249 2.234 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1c[nH]nc1-c1ccsc1 ZINC000188728837 532349407 /nfs/dbraw/zinc/34/94/07/532349407.db2.gz ATIAEVHAPPPBGW-QGZVFWFLSA-N 1 2 378.523 2.076 20 0 GEADLO CCN1CC[NH+](CCC(=O)NOCc2ccc(F)cc2Br)CC1 ZINC000188912655 532350252 /nfs/dbraw/zinc/35/02/52/532350252.db2.gz YPJDLRKXWQUBNR-UHFFFAOYSA-N 1 2 388.281 2.164 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000189079344 532350763 /nfs/dbraw/zinc/35/07/63/532350763.db2.gz RYOJTJMSWWLBMD-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000189079344 532350764 /nfs/dbraw/zinc/35/07/64/532350764.db2.gz RYOJTJMSWWLBMD-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1CN(c2ccc(CNC(=O)c3ncc(Br)s3)c[nH+]2)CCO1 ZINC000189117547 532350986 /nfs/dbraw/zinc/35/09/86/532350986.db2.gz MLNPTDAVLAIRSA-SNVBAGLBSA-N 1 2 397.298 2.456 20 0 GEADLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN([C@@H](C)c2nnnn2C)CC1 ZINC000189424010 532352108 /nfs/dbraw/zinc/35/21/08/532352108.db2.gz BLXBSCDTPIPHPG-OLZOCXBDSA-N 1 2 379.306 2.412 20 0 GEADLO CC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1I ZINC000189607904 532352930 /nfs/dbraw/zinc/35/29/30/532352930.db2.gz GTFZKBCGXXJMEK-OAHLLOKOSA-N 1 2 388.249 2.467 20 0 GEADLO CC[C@]1(CO)CCC[N@H+]1CC(=O)Nc1ccccc1I ZINC000189607904 532352931 /nfs/dbraw/zinc/35/29/31/532352931.db2.gz GTFZKBCGXXJMEK-OAHLLOKOSA-N 1 2 388.249 2.467 20 0 GEADLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189806332 532353758 /nfs/dbraw/zinc/35/37/58/532353758.db2.gz ULOKQZLHPFNQNA-GFCCVEGCSA-N 1 2 383.286 2.306 20 0 GEADLO COCCC[N@H+](CCO)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000189907208 532354058 /nfs/dbraw/zinc/35/40/58/532354058.db2.gz FQBKYSVYTVCBJT-UHFFFAOYSA-N 1 2 384.274 2.254 20 0 GEADLO COCCC[N@@H+](CCO)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000189907208 532354059 /nfs/dbraw/zinc/35/40/59/532354059.db2.gz FQBKYSVYTVCBJT-UHFFFAOYSA-N 1 2 384.274 2.254 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000190361903 532355655 /nfs/dbraw/zinc/35/56/55/532355655.db2.gz TXUFLSCWHNEMAF-ZFWWWQNUSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000190361903 532355656 /nfs/dbraw/zinc/35/56/56/532355656.db2.gz TXUFLSCWHNEMAF-ZFWWWQNUSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000190378358 532355841 /nfs/dbraw/zinc/35/58/41/532355841.db2.gz UBJFDKXGSGRARH-KBPBESRZSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000190378358 532355842 /nfs/dbraw/zinc/35/58/42/532355842.db2.gz UBJFDKXGSGRARH-KBPBESRZSA-N 1 2 376.469 2.398 20 0 GEADLO C[C@@H]1CSCC[N@H+](CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000190482825 532356401 /nfs/dbraw/zinc/35/64/01/532356401.db2.gz JROFGNVCQPQNMH-DOTOQJQBSA-N 1 2 388.599 2.020 20 0 GEADLO C[C@@H]1CSCC[N@@H+](CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000190482825 532356402 /nfs/dbraw/zinc/35/64/02/532356402.db2.gz JROFGNVCQPQNMH-DOTOQJQBSA-N 1 2 388.599 2.020 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000190849736 532358315 /nfs/dbraw/zinc/35/83/15/532358315.db2.gz PNEBEFCYRBZGRA-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000190849736 532358316 /nfs/dbraw/zinc/35/83/16/532358316.db2.gz PNEBEFCYRBZGRA-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO COCC[N@H+](CCN1C(=O)CCC1=O)Cc1sccc1Br ZINC000191428061 532360878 /nfs/dbraw/zinc/36/08/78/532360878.db2.gz FBYAMDIAWVRICT-UHFFFAOYSA-N 1 2 375.288 2.108 20 0 GEADLO COCC[N@@H+](CCN1C(=O)CCC1=O)Cc1sccc1Br ZINC000191428061 532360879 /nfs/dbraw/zinc/36/08/79/532360879.db2.gz FBYAMDIAWVRICT-UHFFFAOYSA-N 1 2 375.288 2.108 20 0 GEADLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cc(=O)n3cc(Cl)ccc3n2)cn1 ZINC000191214106 532359879 /nfs/dbraw/zinc/35/98/79/532359879.db2.gz RJICLYAEWXRONT-OAHLLOKOSA-N 1 2 375.885 2.372 20 0 GEADLO Cn1cc([C@H]2CSCC[N@H+]2Cc2cc(=O)n3cc(Cl)ccc3n2)cn1 ZINC000191214106 532359880 /nfs/dbraw/zinc/35/98/80/532359880.db2.gz RJICLYAEWXRONT-OAHLLOKOSA-N 1 2 375.885 2.372 20 0 GEADLO CCOC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(C)c(Br)c2)CC1 ZINC000187660382 532345067 /nfs/dbraw/zinc/34/50/67/532345067.db2.gz TUGKVIYFLJWOFY-UHFFFAOYSA-N 1 2 397.313 2.397 20 0 GEADLO CCOC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(C)c(Br)c2)CC1 ZINC000187660382 532345068 /nfs/dbraw/zinc/34/50/68/532345068.db2.gz TUGKVIYFLJWOFY-UHFFFAOYSA-N 1 2 397.313 2.397 20 0 GEADLO CSC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000187733064 532345226 /nfs/dbraw/zinc/34/52/26/532345226.db2.gz DIZIWHYSKNTVTM-NSHDSACASA-N 1 2 399.365 2.024 20 0 GEADLO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)CSC)CC2)cc1 ZINC000187741262 532345466 /nfs/dbraw/zinc/34/54/66/532345466.db2.gz ILFHTPYPLJITKX-RDJZCZTQSA-N 1 2 386.583 2.230 20 0 GEADLO O=C(c1[nH]c2ccccc2c1Br)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000372111711 532372216 /nfs/dbraw/zinc/37/22/16/532372216.db2.gz WZRUHKNZSQALNL-GFCCVEGCSA-N 1 2 378.270 2.477 20 0 GEADLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)[C@H](C(N)=O)C1 ZINC000191923250 532372825 /nfs/dbraw/zinc/37/28/25/532372825.db2.gz COCPFJWHHRAFIH-DYVFJYSZSA-N 1 2 396.329 2.372 20 0 GEADLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)[C@H](C(N)=O)C1 ZINC000191923250 532372835 /nfs/dbraw/zinc/37/28/35/532372835.db2.gz COCPFJWHHRAFIH-DYVFJYSZSA-N 1 2 396.329 2.372 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccccc2OC(F)F)CC1 ZINC000425202709 532373088 /nfs/dbraw/zinc/37/30/88/532373088.db2.gz LAAZZLPIDPBVBW-UHFFFAOYSA-N 1 2 378.441 2.019 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000372147370 532374425 /nfs/dbraw/zinc/37/44/25/532374425.db2.gz WKFYYBWRGRYNKJ-AWEZNQCLSA-N 1 2 391.269 2.276 20 0 GEADLO CCOC(=O)C1([S@](C)=O)CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000294681461 532374855 /nfs/dbraw/zinc/37/48/55/532374855.db2.gz BQJVWHWWRFXHCY-VWLOTQADSA-N 1 2 383.901 2.264 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3C[C@H](c4ccc(Br)cc4)C3)C[C@H]21 ZINC000463519412 532376395 /nfs/dbraw/zinc/37/63/95/532376395.db2.gz TYYQNYQQUPFTLV-MWQQHZPXSA-N 1 2 394.313 2.420 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3C[C@H](c4ccc(Br)cc4)C3)C[C@H]21 ZINC000463519412 532376396 /nfs/dbraw/zinc/37/63/96/532376396.db2.gz TYYQNYQQUPFTLV-MWQQHZPXSA-N 1 2 394.313 2.420 20 0 GEADLO CCOCC[NH+]1CCN(c2ncc(C)cc2I)CC1 ZINC000425228248 532376615 /nfs/dbraw/zinc/37/66/15/532376615.db2.gz QCOGFUKVOQJSJA-UHFFFAOYSA-N 1 2 375.254 2.153 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@H](C)[N@H+]1C ZINC000557868601 532377507 /nfs/dbraw/zinc/37/75/07/532377507.db2.gz KRKFVZFBPZBYFU-PHIMTYICSA-N 1 2 378.270 2.455 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@H](C)[N@@H+]1C ZINC000557868601 532377514 /nfs/dbraw/zinc/37/75/14/532377514.db2.gz KRKFVZFBPZBYFU-PHIMTYICSA-N 1 2 378.270 2.455 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1(c2ccccc2Br)CC1 ZINC000191557100 532361352 /nfs/dbraw/zinc/36/13/52/532361352.db2.gz GKQUDPUMZXAXNH-AWEZNQCLSA-N 1 2 380.330 2.233 20 0 GEADLO Cn1c[nH+]c2c1CCN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)C2 ZINC000371902330 532361833 /nfs/dbraw/zinc/36/18/33/532361833.db2.gz QEKRTDRBHOVVEQ-UHFFFAOYSA-N 1 2 388.276 2.329 20 0 GEADLO CS(=O)(=O)N[C@@H]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000425238022 532378407 /nfs/dbraw/zinc/37/84/07/532378407.db2.gz UGZAKUDVBGETOM-SECBINFHSA-N 1 2 388.262 2.264 20 0 GEADLO O=C(Cn1cccn1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000557416370 532364066 /nfs/dbraw/zinc/36/40/66/532364066.db2.gz OEHWZXXAXKGNTK-UHFFFAOYSA-N 1 2 378.230 2.164 20 0 GEADLO COc1ccc(NC(=O)C[S@](=O)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000462980862 532364220 /nfs/dbraw/zinc/36/42/20/532364220.db2.gz MAIQRTYQRRGJSN-RUZDIDTESA-N 1 2 375.372 2.341 20 0 GEADLO O=C(c1cncnc1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000557416287 532364507 /nfs/dbraw/zinc/36/45/07/532364507.db2.gz KGYAIIQDEJSSMY-UHFFFAOYSA-N 1 2 376.214 2.371 20 0 GEADLO C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000515493991 532366183 /nfs/dbraw/zinc/36/61/83/532366183.db2.gz DNRQREZIXFEKQB-GFCCVEGCSA-N 1 2 382.511 2.359 20 0 GEADLO Cc1cc(F)c(S(=O)(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000425168854 532367479 /nfs/dbraw/zinc/36/74/79/532367479.db2.gz MJXOAHCZDMYRCF-OKILXGFUSA-N 1 2 376.469 2.441 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000372017353 532367903 /nfs/dbraw/zinc/36/79/03/532367903.db2.gz WKNQMFUUTLVNDD-CYBMUJFWSA-N 1 2 395.308 2.069 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000425199331 532371900 /nfs/dbraw/zinc/37/19/00/532371900.db2.gz FLQVQVIQUBUGOM-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000278415248 532380438 /nfs/dbraw/zinc/38/04/38/532380438.db2.gz YODZKNUIVCFVGV-DOMZBBRYSA-N 1 2 388.295 2.487 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000278415248 532380443 /nfs/dbraw/zinc/38/04/43/532380443.db2.gz YODZKNUIVCFVGV-DOMZBBRYSA-N 1 2 388.295 2.487 20 0 GEADLO COCC(C)(C)[NH+]1CCN(c2ncccc2I)CC1 ZINC000425279019 532381200 /nfs/dbraw/zinc/38/12/00/532381200.db2.gz KVTWLSLZAWQTES-UHFFFAOYSA-N 1 2 375.254 2.233 20 0 GEADLO COC(=O)C1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192060421 532381816 /nfs/dbraw/zinc/38/18/16/532381816.db2.gz IETWXFLGVFPXIR-OAHLLOKOSA-N 1 2 381.270 2.439 20 0 GEADLO COC(=O)C1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192060428 532383352 /nfs/dbraw/zinc/38/33/52/532383352.db2.gz IETWXFLGVFPXIR-HNNXBMFYSA-N 1 2 381.270 2.439 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)c3ccc(F)c(Br)c3)CC2)cn1 ZINC000463797696 532383565 /nfs/dbraw/zinc/38/35/65/532383565.db2.gz HTRSBEDCWYAZLZ-UHFFFAOYSA-N 1 2 381.249 2.280 20 0 GEADLO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000558063470 532383828 /nfs/dbraw/zinc/38/38/28/532383828.db2.gz HPCXBOKEYSLXJO-LLVKDONJSA-N 1 2 397.324 2.343 20 0 GEADLO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000558063470 532383832 /nfs/dbraw/zinc/38/38/32/532383832.db2.gz HPCXBOKEYSLXJO-LLVKDONJSA-N 1 2 397.324 2.343 20 0 GEADLO O=C1[C@@H]([N@@H+]2CCO[C@]3(CCOC3)C2)CCN1c1cccc(Br)c1 ZINC000192077128 532384143 /nfs/dbraw/zinc/38/41/43/532384143.db2.gz LQBQDZYJYMWOEO-DOTOQJQBSA-N 1 2 381.270 2.046 20 0 GEADLO O=C1[C@@H]([N@H+]2CCO[C@]3(CCOC3)C2)CCN1c1cccc(Br)c1 ZINC000192077128 532384150 /nfs/dbraw/zinc/38/41/50/532384150.db2.gz LQBQDZYJYMWOEO-DOTOQJQBSA-N 1 2 381.270 2.046 20 0 GEADLO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302063 532385325 /nfs/dbraw/zinc/38/53/25/532385325.db2.gz ZHTQZDBWCZLKEA-CQSZACIVSA-N 1 2 381.885 2.222 20 0 GEADLO CCOC(=O)c1cnn(C2CC[NH+](Cc3c(Br)cnn3C)CC2)c1 ZINC000294830047 532385616 /nfs/dbraw/zinc/38/56/16/532385616.db2.gz PXMNFHZSIZZVMF-UHFFFAOYSA-N 1 2 396.289 2.393 20 0 GEADLO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623309151 532386014 /nfs/dbraw/zinc/38/60/14/532386014.db2.gz RYTPUIXLZOHLCZ-GFCCVEGCSA-N 1 2 392.253 2.091 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NC[C@@H](O)Cc1cccc(F)c1 ZINC000294841204 532387227 /nfs/dbraw/zinc/38/72/27/532387227.db2.gz BFDPUMPBHPHHID-NSHDSACASA-N 1 2 380.221 2.280 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2cnn(CC(F)F)c2)CC1)c1cccs1 ZINC000294895427 532389967 /nfs/dbraw/zinc/38/99/67/532389967.db2.gz MAFZETLGPWZLTI-UHFFFAOYSA-N 1 2 390.481 2.153 20 0 GEADLO CN1CC[C@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)S1(=O)=O ZINC000648266241 532390697 /nfs/dbraw/zinc/39/06/97/532390697.db2.gz SSFVAEZXYQBHKJ-OAHLLOKOSA-N 1 2 381.841 2.500 20 0 GEADLO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623926088 532391010 /nfs/dbraw/zinc/39/10/10/532391010.db2.gz YEVZCWZECNFBSU-DGCLKSJQSA-N 1 2 386.290 2.149 20 0 GEADLO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623926088 532391014 /nfs/dbraw/zinc/39/10/14/532391014.db2.gz YEVZCWZECNFBSU-DGCLKSJQSA-N 1 2 386.290 2.149 20 0 GEADLO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)c(F)cc2O)C1 ZINC000648280381 532392609 /nfs/dbraw/zinc/39/26/09/532392609.db2.gz PSZQPQKNAQWDRW-JTQLQIEISA-N 1 2 375.238 2.134 20 0 GEADLO COCC[N@H+]1CCC[C@H](NC(=O)c2cc(Br)c(F)cc2O)C1 ZINC000648280381 532392615 /nfs/dbraw/zinc/39/26/15/532392615.db2.gz PSZQPQKNAQWDRW-JTQLQIEISA-N 1 2 375.238 2.134 20 0 GEADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000591019780 532395828 /nfs/dbraw/zinc/39/58/28/532395828.db2.gz CKZURYPZZGGDMC-CQSZACIVSA-N 1 2 387.274 2.288 20 0 GEADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000591019780 532395833 /nfs/dbraw/zinc/39/58/33/532395833.db2.gz CKZURYPZZGGDMC-CQSZACIVSA-N 1 2 387.274 2.288 20 0 GEADLO Cc1csc(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)n1 ZINC000295005515 532396419 /nfs/dbraw/zinc/39/64/19/532396419.db2.gz LPYGZNJKQRESCP-OCCSQVGLSA-N 1 2 377.432 2.500 20 0 GEADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(F)c(CN(C)[C@@H](C)C[S@](C)=O)c1 ZINC000295065836 532401100 /nfs/dbraw/zinc/40/11/00/532401100.db2.gz VVANYMPARIFXMM-NOWWKWFESA-N 1 2 390.590 2.223 20 0 GEADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(F)c(CN(C)[C@@H](C)C[S@](C)=O)c1 ZINC000295065836 532401105 /nfs/dbraw/zinc/40/11/05/532401105.db2.gz VVANYMPARIFXMM-NOWWKWFESA-N 1 2 390.590 2.223 20 0 GEADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000426264461 532402792 /nfs/dbraw/zinc/40/27/92/532402792.db2.gz CMJHKKPHFFSZSV-UHFFFAOYSA-N 1 2 376.425 2.182 20 0 GEADLO CCN(C)C(=O)[C@@H]([NH2+]Cc1ncc(I)s1)C(C)C ZINC000295071612 532401399 /nfs/dbraw/zinc/40/13/99/532401399.db2.gz PHZOQJPYMLXOMN-NSHDSACASA-N 1 2 381.283 2.340 20 0 GEADLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(F)c(CN(C)[C@@H](C)C[S@@](C)=O)c1 ZINC000295065837 532401509 /nfs/dbraw/zinc/40/15/09/532401509.db2.gz VVANYMPARIFXMM-SAYVRNILSA-N 1 2 390.590 2.223 20 0 GEADLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(F)c(CN(C)[C@@H](C)C[S@@](C)=O)c1 ZINC000295065837 532401519 /nfs/dbraw/zinc/40/15/19/532401519.db2.gz VVANYMPARIFXMM-SAYVRNILSA-N 1 2 390.590 2.223 20 0 GEADLO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000372694330 532401875 /nfs/dbraw/zinc/40/18/75/532401875.db2.gz LBUCYDKLQHGKAP-SNVBAGLBSA-N 1 2 391.693 2.337 20 0 GEADLO C[C@H](CO)[N@H+]1CCCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000372694330 532401879 /nfs/dbraw/zinc/40/18/79/532401879.db2.gz LBUCYDKLQHGKAP-SNVBAGLBSA-N 1 2 391.693 2.337 20 0 GEADLO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000679472729 532405372 /nfs/dbraw/zinc/40/53/72/532405372.db2.gz YYLVDFKQYFGKCV-HOTGVXAUSA-N 1 2 393.336 2.354 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000280059065 532407463 /nfs/dbraw/zinc/40/74/63/532407463.db2.gz PEFMTIGTDNWIPD-UHFFFAOYSA-N 1 2 389.257 2.437 20 0 GEADLO O=S1(=O)CC[C@H]([NH+]2CCN(CCc3cccc(Cl)c3Cl)CC2)C1 ZINC000280072086 532408129 /nfs/dbraw/zinc/40/81/29/532408129.db2.gz QNNZBKRFMJUXML-AWEZNQCLSA-N 1 2 377.337 2.341 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000625137438 532412318 /nfs/dbraw/zinc/41/23/18/532412318.db2.gz CZJRCLSNIDHHDG-HYVNUMGLSA-N 1 2 379.298 2.125 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)cc1OC ZINC000192822963 532413641 /nfs/dbraw/zinc/41/36/41/532413641.db2.gz NAJZZFIWVJIYRV-UHFFFAOYSA-N 1 2 381.841 2.483 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCc1ccc(Br)s1 ZINC000591550039 532413973 /nfs/dbraw/zinc/41/39/73/532413973.db2.gz TXWUFSFXGIYHOM-LLVKDONJSA-N 1 2 376.320 2.073 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCc1ccc(Br)s1 ZINC000591550039 532413976 /nfs/dbraw/zinc/41/39/76/532413976.db2.gz TXWUFSFXGIYHOM-LLVKDONJSA-N 1 2 376.320 2.073 20 0 GEADLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@]2(CCOC2)O1 ZINC000280569851 532414313 /nfs/dbraw/zinc/41/43/13/532414313.db2.gz RWLONCFVQYDLMZ-INIZCTEOSA-N 1 2 384.274 2.053 20 0 GEADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@]2(CCOC2)O1 ZINC000280569851 532414318 /nfs/dbraw/zinc/41/43/18/532414318.db2.gz RWLONCFVQYDLMZ-INIZCTEOSA-N 1 2 384.274 2.053 20 0 GEADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000427163389 532414476 /nfs/dbraw/zinc/41/44/76/532414476.db2.gz GPVZXCQTYBYVGG-RRFJBIMHSA-N 1 2 384.929 2.455 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1c[nH]c2ncc(Br)cc12)[NH+]1CCOCC1 ZINC000280920856 532416677 /nfs/dbraw/zinc/41/66/77/532416677.db2.gz ODNSVPPUDOWUAV-WDEREUQCSA-N 1 2 381.274 2.164 20 0 GEADLO CC[N@H+](CCNC(=O)c1ccccc1S(=O)(=O)CC)CCC(F)(F)F ZINC000427202844 532415930 /nfs/dbraw/zinc/41/59/30/532415930.db2.gz HIFJZOFRAMGLKY-UHFFFAOYSA-N 1 2 380.432 2.484 20 0 GEADLO CC[N@@H+](CCNC(=O)c1ccccc1S(=O)(=O)CC)CCC(F)(F)F ZINC000427202844 532415938 /nfs/dbraw/zinc/41/59/38/532415938.db2.gz HIFJZOFRAMGLKY-UHFFFAOYSA-N 1 2 380.432 2.484 20 0 GEADLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1cccc2c(Cl)ccnc21 ZINC000295189159 532416153 /nfs/dbraw/zinc/41/61/53/532416153.db2.gz KOOFMWLSSIJHQC-UHFFFAOYSA-N 1 2 379.873 2.447 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N(C)C[C@H](O)C3CC3)[nH+]c12 ZINC000680521007 532416170 /nfs/dbraw/zinc/41/61/70/532416170.db2.gz XTPQWCKRFXXOLE-HNNXBMFYSA-N 1 2 395.301 2.360 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCC3(CO)CC3)[nH+]c12 ZINC000680519055 532416466 /nfs/dbraw/zinc/41/64/66/532416466.db2.gz IZSUBJYYTDBHEA-UHFFFAOYSA-N 1 2 381.274 2.019 20 0 GEADLO CC[N@H+](CCNC(=O)c1ccc(C)c(S(C)(=O)=O)c1)CCC(F)(F)F ZINC000427229290 532417567 /nfs/dbraw/zinc/41/75/67/532417567.db2.gz HCYMUXCMSLBQRQ-UHFFFAOYSA-N 1 2 380.432 2.403 20 0 GEADLO CC[N@@H+](CCNC(=O)c1ccc(C)c(S(C)(=O)=O)c1)CCC(F)(F)F ZINC000427229290 532417575 /nfs/dbraw/zinc/41/75/75/532417575.db2.gz HCYMUXCMSLBQRQ-UHFFFAOYSA-N 1 2 380.432 2.403 20 0 GEADLO CC(C)(NS(=O)(=O)CCC[NH+]1CCOCC1)c1nc2ccccc2s1 ZINC000625359393 532420950 /nfs/dbraw/zinc/42/09/50/532420950.db2.gz DVRJIYHYCAEGDT-UHFFFAOYSA-N 1 2 383.539 2.173 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)c(F)cc1O ZINC000295207539 532419135 /nfs/dbraw/zinc/41/91/35/532419135.db2.gz GEBFOBXVLCXVSI-GHMZBOCLSA-N 1 2 387.249 2.229 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N2CCOc3ccc(Br)cc3C2)c1 ZINC000560554016 532420480 /nfs/dbraw/zinc/42/04/80/532420480.db2.gz YFJYCSDBQDQIRD-UHFFFAOYSA-N 1 2 379.258 2.329 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCc2cc(Br)ccc21 ZINC000517743907 532425033 /nfs/dbraw/zinc/42/50/33/532425033.db2.gz DFYMDQCKIPTNLU-UXLLHSPISA-N 1 2 379.298 2.458 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCc2cc(Br)ccc21 ZINC000517743907 532425036 /nfs/dbraw/zinc/42/50/36/532425036.db2.gz DFYMDQCKIPTNLU-UXLLHSPISA-N 1 2 379.298 2.458 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@H](O)CC2(O)CCC2)c1 ZINC000625456989 532428788 /nfs/dbraw/zinc/42/87/88/532428788.db2.gz HOLIMOVRFHWTAE-WBMJQRKESA-N 1 2 388.302 2.089 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@H](O)CC2(O)CCC2)c1 ZINC000625456989 532428791 /nfs/dbraw/zinc/42/87/91/532428791.db2.gz HOLIMOVRFHWTAE-WBMJQRKESA-N 1 2 388.302 2.089 20 0 GEADLO C[C@]1(F)CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000295263528 532427421 /nfs/dbraw/zinc/42/74/21/532427421.db2.gz BXDQLFFVOJNGKL-INIZCTEOSA-N 1 2 386.265 2.328 20 0 GEADLO C[C@]1(F)CCC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000295263528 532427428 /nfs/dbraw/zinc/42/74/28/532427428.db2.gz BXDQLFFVOJNGKL-INIZCTEOSA-N 1 2 386.265 2.328 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1C[N@H+](Cc2cc(O)ccc2Cl)C[C@H]1C(F)(F)F ZINC000625426030 532427539 /nfs/dbraw/zinc/42/75/39/532427539.db2.gz NBXVYHAXEYAGHT-DGCLKSJQSA-N 1 2 386.823 2.300 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1C[N@@H+](Cc2cc(O)ccc2Cl)C[C@H]1C(F)(F)F ZINC000625426030 532427544 /nfs/dbraw/zinc/42/75/44/532427544.db2.gz NBXVYHAXEYAGHT-DGCLKSJQSA-N 1 2 386.823 2.300 20 0 GEADLO C[C@@H]1C[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@H](C)N1CCO ZINC000625460199 532430002 /nfs/dbraw/zinc/43/00/02/532430002.db2.gz ZXWOFELTFIDGDW-IIYDPXPESA-N 1 2 396.329 2.089 20 0 GEADLO C[C@@H]1C[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@H](C)N1CCO ZINC000625460199 532430006 /nfs/dbraw/zinc/43/00/06/532430006.db2.gz ZXWOFELTFIDGDW-IIYDPXPESA-N 1 2 396.329 2.089 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCCCCS(N)(=O)=O)n2)C1 ZINC000561103922 532430015 /nfs/dbraw/zinc/43/00/15/532430015.db2.gz RGGNXYQSJWYPOF-ZDUSSCGKSA-N 1 2 388.559 2.162 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCCCS(N)(=O)=O)n2)C1 ZINC000561103922 532430019 /nfs/dbraw/zinc/43/00/19/532430019.db2.gz RGGNXYQSJWYPOF-ZDUSSCGKSA-N 1 2 388.559 2.162 20 0 GEADLO CN(C)C(=O)Cc1nc(CN(C)Cc2[nH+]ccn2CC(F)(F)F)cs1 ZINC000517908569 532430161 /nfs/dbraw/zinc/43/01/61/532430161.db2.gz BEXHUABVXHJSHU-UHFFFAOYSA-N 1 2 375.420 2.165 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000649927143 532431511 /nfs/dbraw/zinc/43/15/11/532431511.db2.gz LNLKQSWCQQQTIY-UHFFFAOYSA-N 1 2 386.290 2.262 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)CCCCS(C)(=O)=O)c1 ZINC000649948107 532432014 /nfs/dbraw/zinc/43/20/14/532432014.db2.gz ZVKAALSCZRHLBK-OAHLLOKOSA-N 1 2 394.331 2.248 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)CCCCS(C)(=O)=O)c1 ZINC000649948107 532432021 /nfs/dbraw/zinc/43/20/21/532432021.db2.gz ZVKAALSCZRHLBK-OAHLLOKOSA-N 1 2 394.331 2.248 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000626167843 532436182 /nfs/dbraw/zinc/43/61/82/532436182.db2.gz DNQOVGXCIRLWTF-NSHDSACASA-N 1 2 394.324 2.193 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000626167843 532436187 /nfs/dbraw/zinc/43/61/87/532436187.db2.gz DNQOVGXCIRLWTF-NSHDSACASA-N 1 2 394.324 2.193 20 0 GEADLO Cn1ccnc(N2CC[NH+](CCOc3c(Cl)cccc3Cl)CC2)c1=O ZINC000466748200 532433822 /nfs/dbraw/zinc/43/38/22/532433822.db2.gz UIXMZTOECGMILL-UHFFFAOYSA-N 1 2 383.279 2.288 20 0 GEADLO C[N@H+](CCCO)C1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000295406515 532444045 /nfs/dbraw/zinc/44/40/45/532444045.db2.gz CUUWZHYUUGZHKU-UHFFFAOYSA-N 1 2 389.265 2.213 20 0 GEADLO C[N@@H+](CCCO)C1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000295406515 532444057 /nfs/dbraw/zinc/44/40/57/532444057.db2.gz CUUWZHYUUGZHKU-UHFFFAOYSA-N 1 2 389.265 2.213 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682444842 532447160 /nfs/dbraw/zinc/44/71/60/532447160.db2.gz ZWFSCTDDZQBOOI-GFCCVEGCSA-N 1 2 391.269 2.305 20 0 GEADLO CCSCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000561687906 532447714 /nfs/dbraw/zinc/44/77/14/532447714.db2.gz ZTIBPHSKAZFOCV-JKSUJKDBSA-N 1 2 383.945 2.461 20 0 GEADLO CCSCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000561687906 532447718 /nfs/dbraw/zinc/44/77/18/532447718.db2.gz ZTIBPHSKAZFOCV-JKSUJKDBSA-N 1 2 383.945 2.461 20 0 GEADLO O[C@@H](CN1CCc2cc(Br)c(Cl)cc21)C[NH+]1CCOCC1 ZINC000682538785 532447929 /nfs/dbraw/zinc/44/79/29/532447929.db2.gz HLWUHZDPUSZFOU-GFCCVEGCSA-N 1 2 375.694 2.158 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)s1 ZINC000561779316 532452350 /nfs/dbraw/zinc/45/23/50/532452350.db2.gz ZBNPJLGGZONFOW-CQSZACIVSA-N 1 2 382.511 2.226 20 0 GEADLO Cc1ccc(S(=O)(=O)NCCNC(=O)Nc2c(C)cc(C)[nH+]c2C)s1 ZINC000519090753 532456649 /nfs/dbraw/zinc/45/66/49/532456649.db2.gz MDPSQVLLEFYOKA-UHFFFAOYSA-N 1 2 382.511 2.477 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)S(=O)(=O)Cc1c[nH+]cn1C ZINC000467952208 532458660 /nfs/dbraw/zinc/45/86/60/532458660.db2.gz LKMKODBVKSINKA-SNVBAGLBSA-N 1 2 386.271 2.125 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)S(=O)(=O)Cc1c[nH+]cn1C ZINC000467954962 532459021 /nfs/dbraw/zinc/45/90/21/532459021.db2.gz UCVCEMHDSDFNKH-JTQLQIEISA-N 1 2 386.271 2.125 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194901227 532463798 /nfs/dbraw/zinc/46/37/98/532463798.db2.gz QDMURPRDDQFHPL-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194901227 532463804 /nfs/dbraw/zinc/46/38/04/532463804.db2.gz QDMURPRDDQFHPL-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)s1 ZINC000592789300 532464688 /nfs/dbraw/zinc/46/46/88/532464688.db2.gz JYKVQDJLONOXKG-CYBMUJFWSA-N 1 2 378.567 2.475 20 0 GEADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000282410561 532465044 /nfs/dbraw/zinc/46/50/44/532465044.db2.gz QFTQMMIOVSZGLT-WRWORJQWSA-N 1 2 377.080 2.221 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628474630 532469238 /nfs/dbraw/zinc/46/92/38/532469238.db2.gz IVAPKMHKGLGJBL-MRXNPFEDSA-N 1 2 393.285 2.019 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628474630 532469243 /nfs/dbraw/zinc/46/92/43/532469243.db2.gz IVAPKMHKGLGJBL-MRXNPFEDSA-N 1 2 393.285 2.019 20 0 GEADLO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628475409 532469670 /nfs/dbraw/zinc/46/96/70/532469670.db2.gz RJMDDJDNOJCGEC-CQSZACIVSA-N 1 2 393.285 2.019 20 0 GEADLO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628475409 532469675 /nfs/dbraw/zinc/46/96/75/532469675.db2.gz RJMDDJDNOJCGEC-CQSZACIVSA-N 1 2 393.285 2.019 20 0 GEADLO Cc1nn(C)c(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c1Br ZINC000519583127 532469983 /nfs/dbraw/zinc/46/99/83/532469983.db2.gz YTYRJISJBRXFCG-UHFFFAOYSA-N 1 2 384.299 2.111 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000373794859 532470802 /nfs/dbraw/zinc/47/08/02/532470802.db2.gz JPNGDENBKVVGFE-UHFFFAOYSA-N 1 2 394.273 2.345 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(C)(C)CO ZINC000295705930 532471113 /nfs/dbraw/zinc/47/11/13/532471113.db2.gz KJZGCQRNYFGBOL-ZDUSSCGKSA-N 1 2 375.853 2.251 20 0 GEADLO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000684209216 532471815 /nfs/dbraw/zinc/47/18/15/532471815.db2.gz VPTSFMKBSDJELD-GJZGRUSLSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCOc2c(Br)cccc2C1 ZINC000684209216 532471818 /nfs/dbraw/zinc/47/18/18/532471818.db2.gz VPTSFMKBSDJELD-GJZGRUSLSA-N 1 2 386.286 2.200 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628683764 532471910 /nfs/dbraw/zinc/47/19/10/532471910.db2.gz XNCUHHSOWIWPFN-SFHVURJKSA-N 1 2 392.297 2.462 20 0 GEADLO OCC[C@@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1ccccc1Br ZINC000429330121 532472996 /nfs/dbraw/zinc/47/29/96/532472996.db2.gz LZHOUCNEUXFXBZ-LLVKDONJSA-N 1 2 394.195 2.211 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000373896077 532476829 /nfs/dbraw/zinc/47/68/29/532476829.db2.gz PWVFHPYPQSBBDU-LLVKDONJSA-N 1 2 394.273 2.293 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000282557939 532477628 /nfs/dbraw/zinc/47/76/28/532477628.db2.gz SJTNWPVFAUUYMO-GFCCVEGCSA-N 1 2 390.531 2.004 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000282557939 532477632 /nfs/dbraw/zinc/47/76/32/532477632.db2.gz SJTNWPVFAUUYMO-GFCCVEGCSA-N 1 2 390.531 2.004 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000468839132 532477618 /nfs/dbraw/zinc/47/76/18/532477618.db2.gz GGXYAOHBHWJRAO-STQMWFEESA-N 1 2 387.889 2.317 20 0 GEADLO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920837 532477662 /nfs/dbraw/zinc/47/76/62/532477662.db2.gz OUUZDPUYOJWWTG-ZDUSSCGKSA-N 1 2 380.286 2.159 20 0 GEADLO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920837 532477668 /nfs/dbraw/zinc/47/76/68/532477668.db2.gz OUUZDPUYOJWWTG-ZDUSSCGKSA-N 1 2 380.286 2.159 20 0 GEADLO C[C@H](O)[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000562717406 532478993 /nfs/dbraw/zinc/47/89/93/532478993.db2.gz SPHSHMPISVENIN-JQFCIGGWSA-N 1 2 397.313 2.194 20 0 GEADLO CC(=O)NCC[N@H+](CC(=O)N1CCc2sccc2C1)Cc1ccsc1 ZINC000282570397 532479629 /nfs/dbraw/zinc/47/96/29/532479629.db2.gz VCJABTYYLJTDHN-UHFFFAOYSA-N 1 2 377.535 2.333 20 0 GEADLO CC(=O)NCC[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1ccsc1 ZINC000282570397 532479633 /nfs/dbraw/zinc/47/96/33/532479633.db2.gz VCJABTYYLJTDHN-UHFFFAOYSA-N 1 2 377.535 2.333 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000519832348 532479897 /nfs/dbraw/zinc/47/98/97/532479897.db2.gz HFGDPSBJMANHDW-KGLIPLIRSA-N 1 2 378.416 2.002 20 0 GEADLO [NH3+]CC1(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CCCC1 ZINC000519828845 532480219 /nfs/dbraw/zinc/48/02/19/532480219.db2.gz XNUQBPCAMYNQMN-UHFFFAOYSA-N 1 2 380.495 2.402 20 0 GEADLO C[C@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CCc2ccc(Cl)cc21 ZINC000651836303 532496783 /nfs/dbraw/zinc/49/67/83/532496783.db2.gz ODHVMQXXMLMJEJ-HNNXBMFYSA-N 1 2 386.945 2.354 20 0 GEADLO O=C(c1cc[nH]c(=O)c1Br)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000468887250 532481159 /nfs/dbraw/zinc/48/11/59/532481159.db2.gz IHKOYHIGOCCTJK-UHFFFAOYSA-N 1 2 397.298 2.354 20 0 GEADLO O=C(c1cc[nH]c(=O)c1Br)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000468887250 532481165 /nfs/dbraw/zinc/48/11/65/532481165.db2.gz IHKOYHIGOCCTJK-UHFFFAOYSA-N 1 2 397.298 2.354 20 0 GEADLO OCCCc1cn(-c2ncnc3cc(I)sc32)c[nH+]1 ZINC000593462624 532482161 /nfs/dbraw/zinc/48/21/61/532482161.db2.gz FGZPZGFZLNQPCC-UHFFFAOYSA-N 1 2 386.218 2.407 20 0 GEADLO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H](C)S(C)(=O)=O ZINC000468943737 532482578 /nfs/dbraw/zinc/48/25/78/532482578.db2.gz NXPMKXRNFLAUSR-KBPBESRZSA-N 1 2 386.945 2.490 20 0 GEADLO CNS(=O)(=O)CCCNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000629345714 532487281 /nfs/dbraw/zinc/48/72/81/532487281.db2.gz WPOHMMFPCNFFMG-UHFFFAOYSA-N 1 2 383.857 2.196 20 0 GEADLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1csnc1C(=O)OC ZINC000430013259 532487926 /nfs/dbraw/zinc/48/79/26/532487926.db2.gz PAJDPERRGOFWNK-LLVKDONJSA-N 1 2 384.483 2.062 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)C2(c3cncc(Br)c3)CC2)CCO1 ZINC000684983766 532488977 /nfs/dbraw/zinc/48/89/77/532488977.db2.gz HLYCOBIVQSKZTD-HNNXBMFYSA-N 1 2 382.302 2.103 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)C2(c3cncc(Br)c3)CC2)CCO1 ZINC000684983766 532488981 /nfs/dbraw/zinc/48/89/81/532488981.db2.gz HLYCOBIVQSKZTD-HNNXBMFYSA-N 1 2 382.302 2.103 20 0 GEADLO CC[NH+]1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccnn2C)CC1 ZINC000520280652 532489083 /nfs/dbraw/zinc/48/90/83/532489083.db2.gz RKBWHUVZCSBMKQ-UHFFFAOYSA-N 1 2 383.905 2.016 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000469115500 532491643 /nfs/dbraw/zinc/49/16/43/532491643.db2.gz ZKZFDPMLGLTELR-GFCCVEGCSA-N 1 2 377.242 2.267 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)[C@@H](C(N)=O)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000195302323 532474173 /nfs/dbraw/zinc/47/41/73/532474173.db2.gz ICIJJQCYYDETMI-DVOMOZLQSA-N 1 2 384.318 2.017 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)[C@@H](C(N)=O)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000195302323 532474177 /nfs/dbraw/zinc/47/41/77/532474177.db2.gz ICIJJQCYYDETMI-DVOMOZLQSA-N 1 2 384.318 2.017 20 0 GEADLO C[C@@H]1CN(CC[N@H+](C)[C@@H](C(N)=O)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000195302323 532474183 /nfs/dbraw/zinc/47/41/83/532474183.db2.gz ICIJJQCYYDETMI-DVOMOZLQSA-N 1 2 384.318 2.017 20 0 GEADLO C[C@@H]1CN(CC[N@@H+](C)[C@@H](C(N)=O)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000195302323 532474185 /nfs/dbraw/zinc/47/41/85/532474185.db2.gz ICIJJQCYYDETMI-DVOMOZLQSA-N 1 2 384.318 2.017 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000563378633 532502169 /nfs/dbraw/zinc/50/21/69/532502169.db2.gz WJOYSCZKZGBWGE-LLVKDONJSA-N 1 2 379.258 2.496 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000563378633 532502170 /nfs/dbraw/zinc/50/21/70/532502170.db2.gz WJOYSCZKZGBWGE-LLVKDONJSA-N 1 2 379.258 2.496 20 0 GEADLO Cc1c(Br)cc(C(=O)NCc2[nH+]ccn2CC(C)C)c(=O)n1C ZINC000469448069 532503400 /nfs/dbraw/zinc/50/34/00/532503400.db2.gz KQBXKAILWRQRCL-UHFFFAOYSA-N 1 2 381.274 2.239 20 0 GEADLO COC(=O)[C@@H](CC(F)(F)F)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000563391695 532503578 /nfs/dbraw/zinc/50/35/78/532503578.db2.gz ZUHLXKILHOCCBY-JGVFFNPUSA-N 1 2 375.269 2.066 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000563396709 532504057 /nfs/dbraw/zinc/50/40/57/532504057.db2.gz BUQICSKLGSDNCH-LLVKDONJSA-N 1 2 394.273 2.221 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000563396709 532504067 /nfs/dbraw/zinc/50/40/67/532504067.db2.gz BUQICSKLGSDNCH-LLVKDONJSA-N 1 2 394.273 2.221 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)[C@H]3CCC[C@@H](C(N)=O)C3)[nH+]c12 ZINC000469568958 532504662 /nfs/dbraw/zinc/50/46/62/532504662.db2.gz OAYMMYGRZBIXIE-NEPJUHHUSA-N 1 2 393.285 2.313 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000296398184 532518924 /nfs/dbraw/zinc/51/89/24/532518924.db2.gz TUAOIZGHIBNLIB-INIZCTEOSA-N 1 2 375.252 2.443 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000296398184 532518932 /nfs/dbraw/zinc/51/89/32/532518932.db2.gz TUAOIZGHIBNLIB-INIZCTEOSA-N 1 2 375.252 2.443 20 0 GEADLO COC(=O)NCCc1ccc(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)s1 ZINC000296208144 532505612 /nfs/dbraw/zinc/50/56/12/532505612.db2.gz WKMMLXGNCZSALC-ZDUSSCGKSA-N 1 2 386.499 2.045 20 0 GEADLO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ncc(Br)cn1 ZINC000431100703 532506549 /nfs/dbraw/zinc/50/65/49/532506549.db2.gz VZAMPJWXUOTRPM-WCBMZHEXSA-N 1 2 381.196 2.443 20 0 GEADLO Cc1cc(Br)cc(C)c1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000521169558 532508355 /nfs/dbraw/zinc/50/83/55/532508355.db2.gz VTGGFDCBFHNAAH-OAHLLOKOSA-N 1 2 383.334 2.111 20 0 GEADLO Cc1cc(Br)cc(C)c1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000521169558 532508360 /nfs/dbraw/zinc/50/83/60/532508360.db2.gz VTGGFDCBFHNAAH-OAHLLOKOSA-N 1 2 383.334 2.111 20 0 GEADLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N1CCC=C(Br)C1 ZINC000282959199 532508526 /nfs/dbraw/zinc/50/85/26/532508526.db2.gz IMFVRFOWKXLPDN-UHFFFAOYSA-N 1 2 381.274 2.112 20 0 GEADLO CC(C)S(=O)(=O)CC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469770296 532510913 /nfs/dbraw/zinc/51/09/13/532510913.db2.gz UBNSMFTZTBJHCB-AWEZNQCLSA-N 1 2 380.432 2.248 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)c2c(C)c(C)sc2Br)CC1 ZINC000283012569 532512325 /nfs/dbraw/zinc/51/23/25/532512325.db2.gz NHYLEJGYPJFYCE-UHFFFAOYSA-N 1 2 388.331 2.021 20 0 GEADLO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000374606489 532512931 /nfs/dbraw/zinc/51/29/31/532512931.db2.gz BTAZNPOBYVZNLB-NSHDSACASA-N 1 2 391.280 2.246 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)CN(C)C(=O)c1ccc(Br)s1)CC2 ZINC000374680159 532514281 /nfs/dbraw/zinc/51/42/81/532514281.db2.gz PHQJUHCPWHUURT-UHFFFAOYSA-N 1 2 397.298 2.130 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000630397386 532516013 /nfs/dbraw/zinc/51/60/13/532516013.db2.gz PRXWSZSLSZBIRH-OAHLLOKOSA-N 1 2 376.284 2.048 20 0 GEADLO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000594652267 532517196 /nfs/dbraw/zinc/51/71/96/532517196.db2.gz LRUSOJBILZHATF-OAHLLOKOSA-N 1 2 382.913 2.247 20 0 GEADLO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000594652267 532517202 /nfs/dbraw/zinc/51/72/02/532517202.db2.gz LRUSOJBILZHATF-OAHLLOKOSA-N 1 2 382.913 2.247 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000242931203 532518208 /nfs/dbraw/zinc/51/82/08/532518208.db2.gz GZMQZFWFDVVNAN-UHFFFAOYSA-N 1 2 383.901 2.494 20 0 GEADLO COc1ccccc1[C@H]1CN(C(=O)CSc2n[nH]c(=S)s2)CC[NH2+]1 ZINC000374374906 532499325 /nfs/dbraw/zinc/49/93/25/532499325.db2.gz YCVAJJWMCXBGAS-LLVKDONJSA-N 1 2 382.536 2.101 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)COc2ccc(C=O)cc2Br)C1 ZINC000374366347 532499344 /nfs/dbraw/zinc/49/93/44/532499344.db2.gz RTVHDXSPLUZBHW-CYBMUJFWSA-N 1 2 392.253 2.390 20 0 GEADLO O=C([C@H]1COc2ccc(Br)cc21)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374383468 532501306 /nfs/dbraw/zinc/50/13/06/532501306.db2.gz FEYODQXIDATLBP-HOTGVXAUSA-N 1 2 388.265 2.493 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000374412931 532502116 /nfs/dbraw/zinc/50/21/16/532502116.db2.gz ABYWQCXMRJEUCN-SECBINFHSA-N 1 2 388.262 2.264 20 0 GEADLO O=S(=O)(c1cnc(Cl)c(Br)c1)N1CC[NH+](C2CCC2)CC1 ZINC000296718558 532536307 /nfs/dbraw/zinc/53/63/07/532536307.db2.gz NKQNEQHYEFYGDB-UHFFFAOYSA-N 1 2 394.722 2.356 20 0 GEADLO COc1cccc([C@@H](NS(=O)(=O)CCC(F)(F)F)c2[nH+]ccn2C)c1 ZINC000375133988 532536893 /nfs/dbraw/zinc/53/68/93/532536893.db2.gz WUDZGAMJEPWUOY-CYBMUJFWSA-N 1 2 377.388 2.390 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000246323771 532537480 /nfs/dbraw/zinc/53/74/80/532537480.db2.gz YZUCXZHAOCTJRA-NWDGAFQWSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@H+]1C[C@H](C)O ZINC000246323771 532537484 /nfs/dbraw/zinc/53/74/84/532537484.db2.gz YZUCXZHAOCTJRA-NWDGAFQWSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000296736415 532537599 /nfs/dbraw/zinc/53/75/99/532537599.db2.gz CRPGJXBXDHFOAG-WOPDTQHZSA-N 1 2 378.420 2.251 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1c(Cl)cncc1Cl ZINC000432419810 532538144 /nfs/dbraw/zinc/53/81/44/532538144.db2.gz GGQUWXHWCCZEAS-HNNXBMFYSA-N 1 2 376.309 2.326 20 0 GEADLO C[C@H]([C@H](C)NC(=O)[C@H](C)Oc1ccccc1Br)[NH+]1CCOCC1 ZINC000246496512 532539361 /nfs/dbraw/zinc/53/93/61/532539361.db2.gz ATIUUJWYWFZLNE-MJBXVCDLSA-N 1 2 385.302 2.442 20 0 GEADLO O=C(NCC1=CCCOC1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000653697746 532541239 /nfs/dbraw/zinc/54/12/39/532541239.db2.gz KRWBVRITBDXLTO-UHFFFAOYSA-N 1 2 397.273 2.149 20 0 GEADLO CCN1CCN([C@H](C(N)=O)c2cccc(Br)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000471083850 532541873 /nfs/dbraw/zinc/54/18/73/532541873.db2.gz YEZWROIYRHRHIR-GJZGRUSLSA-N 1 2 392.301 2.077 20 0 GEADLO CCN1CCN([C@H](C(N)=O)c2ccc(Br)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000471114536 532542373 /nfs/dbraw/zinc/54/23/73/532542373.db2.gz VPGDDNKTBPHXGI-CABCVRRESA-N 1 2 392.301 2.077 20 0 GEADLO CCOc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1Br ZINC000432622578 532542224 /nfs/dbraw/zinc/54/22/24/532542224.db2.gz YWXKJNHTVVQDRU-ZDUSSCGKSA-N 1 2 385.306 2.215 20 0 GEADLO CCOc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1Br ZINC000432622578 532542227 /nfs/dbraw/zinc/54/22/27/532542227.db2.gz YWXKJNHTVVQDRU-ZDUSSCGKSA-N 1 2 385.306 2.215 20 0 GEADLO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c(Cl)s1 ZINC000375195663 532542412 /nfs/dbraw/zinc/54/24/12/532542412.db2.gz DVRYJEVBZNUSOO-QMMMGPOBSA-N 1 2 395.915 2.054 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000375194885 532542514 /nfs/dbraw/zinc/54/25/14/532542514.db2.gz NGEFOSBYDMYJAO-CHWSQXEVSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000375194885 532542521 /nfs/dbraw/zinc/54/25/21/532542521.db2.gz NGEFOSBYDMYJAO-CHWSQXEVSA-N 1 2 386.901 2.374 20 0 GEADLO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000565004040 532542682 /nfs/dbraw/zinc/54/26/82/532542682.db2.gz MSUAYZQRGUSFJT-OLZOCXBDSA-N 1 2 381.523 2.333 20 0 GEADLO COCc1n[nH]c(C[NH2+][C@H]2CCc3ccc(I)cc32)n1 ZINC000595069260 532542934 /nfs/dbraw/zinc/54/29/34/532542934.db2.gz QSJSFTWGCZETSN-LBPRGKRZSA-N 1 2 384.221 2.333 20 0 GEADLO OC[C@@H]([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1ccc(Br)c(F)c1 ZINC000631141973 532544750 /nfs/dbraw/zinc/54/47/50/532544750.db2.gz IPTSNHVPOZIILQ-MEDUHNTESA-N 1 2 399.264 2.039 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CC1)c1ccnc(SCC(F)(F)F)c1 ZINC000470157157 532520809 /nfs/dbraw/zinc/52/08/09/532520809.db2.gz JRBHFBBJGUORQA-UHFFFAOYSA-N 1 2 375.416 2.331 20 0 GEADLO O=C(NCC[C@@]1(O)CCOC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000652805094 532520831 /nfs/dbraw/zinc/52/08/31/532520831.db2.gz QMZDTJNMWUNELH-SJLPKXTDSA-N 1 2 397.313 2.244 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CC1)C1(c2ccccc2Br)CC1 ZINC000470159104 532521204 /nfs/dbraw/zinc/52/12/04/532521204.db2.gz BWNRFWFVTKTSDE-UHFFFAOYSA-N 1 2 379.298 2.462 20 0 GEADLO O=C([C@@H]1CC12CCS(=O)(=O)CC2)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374862184 532522193 /nfs/dbraw/zinc/52/21/93/532522193.db2.gz JUHRVAQGMSFGSE-GOEBONIOSA-N 1 2 382.913 2.028 20 0 GEADLO O=S(=O)(CC[N@H+]1CCSC[C@@H]1CCO)c1ccc(Br)cc1 ZINC000470362197 532526285 /nfs/dbraw/zinc/52/62/85/532526285.db2.gz CTGNKVMKEYCGHN-ZDUSSCGKSA-N 1 2 394.356 2.023 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCSC[C@@H]1CCO)c1ccc(Br)cc1 ZINC000470362197 532526289 /nfs/dbraw/zinc/52/62/89/532526289.db2.gz CTGNKVMKEYCGHN-ZDUSSCGKSA-N 1 2 394.356 2.023 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)CCn2cc[nH+]c2)cc1C(F)(F)F ZINC000470394418 532526956 /nfs/dbraw/zinc/52/69/56/532526956.db2.gz RAVPYZUGXFKCQB-UHFFFAOYSA-N 1 2 375.372 2.012 20 0 GEADLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1c(F)cncc1Br ZINC000630691612 532527775 /nfs/dbraw/zinc/52/77/75/532527775.db2.gz ZTYLZCPWWMWDHV-UHFFFAOYSA-N 1 2 395.232 2.145 20 0 GEADLO C[C@@H](NC(=O)C(=O)NCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000283307415 532531601 /nfs/dbraw/zinc/53/16/01/532531601.db2.gz PWSVPHIXFYXZNB-GFCCVEGCSA-N 1 2 379.258 2.029 20 0 GEADLO C[C@H](NC(=O)C(=O)NCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000283309444 532532228 /nfs/dbraw/zinc/53/22/28/532532228.db2.gz PWSVPHIXFYXZNB-LBPRGKRZSA-N 1 2 379.258 2.029 20 0 GEADLO CC(C)[C@@H](CNC(=O)c1cccc(Br)c1O)[NH+]1CCN(C)CC1 ZINC000525773502 532534314 /nfs/dbraw/zinc/53/43/14/532534314.db2.gz MFUDBUCLHITTPO-OAHLLOKOSA-N 1 2 384.318 2.157 20 0 GEADLO CC(C)[C@@H](CNC(=O)c1cccc(Br)c1O)N1CC[NH+](C)CC1 ZINC000525773502 532534319 /nfs/dbraw/zinc/53/43/19/532534319.db2.gz MFUDBUCLHITTPO-OAHLLOKOSA-N 1 2 384.318 2.157 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000630928628 532534736 /nfs/dbraw/zinc/53/47/36/532534736.db2.gz UVTYNODTWCVRCR-KLWIRTJPSA-N 1 2 379.298 2.172 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000630928628 532534743 /nfs/dbraw/zinc/53/47/43/532534743.db2.gz UVTYNODTWCVRCR-KLWIRTJPSA-N 1 2 379.298 2.172 20 0 GEADLO COc1cc(Br)c(C[NH2+]C2CN(c3ccncn3)C2)c(OC)c1 ZINC000631257847 532550378 /nfs/dbraw/zinc/55/03/78/532550378.db2.gz GJXGXAWFAPUWHR-UHFFFAOYSA-N 1 2 379.258 2.235 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)C(=O)Cc2[nH]c[nH+]c2C)c1 ZINC000296869982 532550966 /nfs/dbraw/zinc/55/09/66/532550966.db2.gz JVBVDBOPAOABHX-HNNXBMFYSA-N 1 2 382.258 2.224 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296894541 532552635 /nfs/dbraw/zinc/55/26/35/532552635.db2.gz VNLDVLOMCWITEH-CYBMUJFWSA-N 1 2 384.274 2.469 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296894541 532552643 /nfs/dbraw/zinc/55/26/43/532552643.db2.gz VNLDVLOMCWITEH-CYBMUJFWSA-N 1 2 384.274 2.469 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1nc(C(C)(C)C)cs1 ZINC000248609995 532553133 /nfs/dbraw/zinc/55/31/33/532553133.db2.gz QCTBQNWDZSMRNH-AGIUHOORSA-N 1 2 387.571 2.125 20 0 GEADLO COC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000433004386 532554143 /nfs/dbraw/zinc/55/41/43/532554143.db2.gz FBYCEXZKLNSKFD-SNVBAGLBSA-N 1 2 393.241 2.315 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]C[C@@H](n2cncn2)C(F)(F)F)c2cc(F)ccc21 ZINC000631687512 532556020 /nfs/dbraw/zinc/55/60/20/532556020.db2.gz FOJREHCVBOTMCQ-DGCLKSJQSA-N 1 2 378.351 2.029 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)Cc1ccc(I)cc1)C2 ZINC000375437267 532557069 /nfs/dbraw/zinc/55/70/69/532557069.db2.gz JOBRIWQSVBIABR-AWEZNQCLSA-N 1 2 395.244 2.470 20 0 GEADLO C[C@H](CNS(=O)(=O)c1c[nH]nc1C(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000631726266 532557618 /nfs/dbraw/zinc/55/76/18/532557618.db2.gz AWCVDZFGAUXVHQ-SECBINFHSA-N 1 2 394.444 2.215 20 0 GEADLO C[C@H](CNS(=O)(=O)c1c[nH]nc1C(F)(F)F)[N@H+]1CCc2sccc2C1 ZINC000631726266 532557623 /nfs/dbraw/zinc/55/76/23/532557623.db2.gz AWCVDZFGAUXVHQ-SECBINFHSA-N 1 2 394.444 2.215 20 0 GEADLO C[C@H]1CC[N@H+](CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)CCS1 ZINC000249021743 532559513 /nfs/dbraw/zinc/55/95/13/532559513.db2.gz KVDJHYUITXNPDD-RDJZCZTQSA-N 1 2 388.599 2.162 20 0 GEADLO C[C@H]1CC[N@@H+](CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)CCS1 ZINC000249021743 532559515 /nfs/dbraw/zinc/55/95/15/532559515.db2.gz KVDJHYUITXNPDD-RDJZCZTQSA-N 1 2 388.599 2.162 20 0 GEADLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)Nc1ccnc(Br)c1 ZINC000297020065 532560474 /nfs/dbraw/zinc/56/04/74/532560474.db2.gz QKDLDSBMNFYBPT-UHFFFAOYSA-N 1 2 392.257 2.397 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(I)cc1)c1[nH+]ccn1C ZINC000595383907 532562843 /nfs/dbraw/zinc/56/28/43/532562843.db2.gz QHEMHYLJTGCQJL-SECBINFHSA-N 1 2 391.234 2.064 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1Cl ZINC000433351560 532564844 /nfs/dbraw/zinc/56/48/44/532564844.db2.gz HCUXNYMRYNEZDW-VXGBXAGGSA-N 1 2 381.325 2.377 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1Cl ZINC000433351560 532564849 /nfs/dbraw/zinc/56/48/49/532564849.db2.gz HCUXNYMRYNEZDW-VXGBXAGGSA-N 1 2 381.325 2.377 20 0 GEADLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Br)cnc1OC ZINC000595442625 532565424 /nfs/dbraw/zinc/56/54/24/532565424.db2.gz VVCTWLAVSUMYMY-KGLIPLIRSA-N 1 2 387.274 2.395 20 0 GEADLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(Br)cnc1OC ZINC000595442625 532565427 /nfs/dbraw/zinc/56/54/27/532565427.db2.gz VVCTWLAVSUMYMY-KGLIPLIRSA-N 1 2 387.274 2.395 20 0 GEADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000249479534 532567091 /nfs/dbraw/zinc/56/70/91/532567091.db2.gz WJZCIBXHPULUKY-YQQAZPJKSA-N 1 2 384.567 2.384 20 0 GEADLO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000249479534 532567093 /nfs/dbraw/zinc/56/70/93/532567093.db2.gz WJZCIBXHPULUKY-YQQAZPJKSA-N 1 2 384.567 2.384 20 0 GEADLO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000283921332 532567228 /nfs/dbraw/zinc/56/72/28/532567228.db2.gz MUWCRLFVPYCGIE-ZDUSSCGKSA-N 1 2 393.285 2.199 20 0 GEADLO CS(=O)(=O)c1cc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)co1 ZINC000528491295 532567338 /nfs/dbraw/zinc/56/73/38/532567338.db2.gz WQUQDAYFKACDEN-LBPRGKRZSA-N 1 2 379.356 2.405 20 0 GEADLO CO[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1Br ZINC000654738090 532567639 /nfs/dbraw/zinc/56/76/39/532567639.db2.gz MPZMZTZNTAPCRM-ZENOOKHLSA-N 1 2 385.302 2.362 20 0 GEADLO Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)NCC(F)(F)F)cc1F ZINC000375593107 532568061 /nfs/dbraw/zinc/56/80/61/532568061.db2.gz WACUGXNJTBIYKE-VIFPVBQESA-N 1 2 380.367 2.367 20 0 GEADLO CN(Cc1nccs1)C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000283938927 532568523 /nfs/dbraw/zinc/56/85/23/532568523.db2.gz MGLOMDYBJVMNIL-CQSZACIVSA-N 1 2 380.901 2.174 20 0 GEADLO COC(=O)[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000527128344 532545910 /nfs/dbraw/zinc/54/59/10/532545910.db2.gz BRWKEDRHGGFHMI-GXTWGEPZSA-N 1 2 378.238 2.115 20 0 GEADLO COC(=O)c1ccc(CNC[C@@H]2C[N@@H+](C3CC3)CCO2)c(Br)c1 ZINC000375304836 532547211 /nfs/dbraw/zinc/54/72/11/532547211.db2.gz XSPWJBQMLFSGLV-OAHLLOKOSA-N 1 2 383.286 2.189 20 0 GEADLO COC(=O)c1ccc(CNC[C@@H]2C[N@H+](C3CC3)CCO2)c(Br)c1 ZINC000375304836 532547218 /nfs/dbraw/zinc/54/72/18/532547218.db2.gz XSPWJBQMLFSGLV-OAHLLOKOSA-N 1 2 383.286 2.189 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1)Nc1ccc(Br)cn1 ZINC000528792285 532582596 /nfs/dbraw/zinc/58/25/96/532582596.db2.gz IGWSYMVZBDSSSV-LBPRGKRZSA-N 1 2 378.230 2.115 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1)Nc1ccc(Br)cn1 ZINC000528792285 532582600 /nfs/dbraw/zinc/58/26/00/532582600.db2.gz IGWSYMVZBDSSSV-LBPRGKRZSA-N 1 2 378.230 2.115 20 0 GEADLO COC1(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)CCOCC1 ZINC000284275508 532583494 /nfs/dbraw/zinc/58/34/94/532583494.db2.gz ROYDRJHIOJAMMO-UHFFFAOYSA-N 1 2 396.285 2.260 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000433940551 532584778 /nfs/dbraw/zinc/58/47/78/532584778.db2.gz KGMIGOMNHGLDAV-GFCCVEGCSA-N 1 2 390.315 2.162 20 0 GEADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000262075165 532584786 /nfs/dbraw/zinc/58/47/86/532584786.db2.gz SKZGKYYAWOYYPI-CQSZACIVSA-N 1 2 389.308 2.203 20 0 GEADLO CN(C(=O)CC[NH2+]Cc1nn(C)cc1I)c1ccccc1 ZINC000596062694 532585173 /nfs/dbraw/zinc/58/51/73/532585173.db2.gz LGHNGYGKYSGMKQ-UHFFFAOYSA-N 1 2 398.248 2.167 20 0 GEADLO COc1cc(NC(=O)C(=O)NCCNc2cccc[nH+]2)ccc1Br ZINC000473112182 532585532 /nfs/dbraw/zinc/58/55/32/532585532.db2.gz LPDLMTAHUHIIML-UHFFFAOYSA-N 1 2 393.241 2.020 20 0 GEADLO Cc1cc(Br)ccc1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000655520580 532595605 /nfs/dbraw/zinc/59/56/05/532595605.db2.gz VJBLMYCKOSVFNR-IYBDPMFKSA-N 1 2 382.302 2.420 20 0 GEADLO Cc1cc(Br)ccc1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000655520580 532595608 /nfs/dbraw/zinc/59/56/08/532595608.db2.gz VJBLMYCKOSVFNR-IYBDPMFKSA-N 1 2 382.302 2.420 20 0 GEADLO O=C(CN1CC(C(F)(F)F)C1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000565991480 532587208 /nfs/dbraw/zinc/58/72/08/532587208.db2.gz WBZJMRKZAOMRPH-UHFFFAOYSA-N 1 2 375.822 2.478 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284337413 532587852 /nfs/dbraw/zinc/58/78/52/532587852.db2.gz QVYNVHGTGVQNNN-NSHDSACASA-N 1 2 395.257 2.252 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284337413 532587855 /nfs/dbraw/zinc/58/78/55/532587855.db2.gz QVYNVHGTGVQNNN-NSHDSACASA-N 1 2 395.257 2.252 20 0 GEADLO COC(=O)c1nccc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000596198943 532589294 /nfs/dbraw/zinc/58/92/94/532589294.db2.gz OYHVFGGTWHPCOW-UHFFFAOYSA-N 1 2 390.241 2.058 20 0 GEADLO CN(c1ccc(N2CCOCC2)[nH+]c1)S(=O)(=O)C[C@H]1CCC(F)(F)C1 ZINC000632206645 532590260 /nfs/dbraw/zinc/59/02/60/532590260.db2.gz OXTWXKKRRGXGKV-ZDUSSCGKSA-N 1 2 375.441 2.120 20 0 GEADLO CCN1CCN(C(=O)c2cc(O)cc(Br)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000529093728 532590892 /nfs/dbraw/zinc/59/08/92/532590892.db2.gz BTJQDMMVHPKLFQ-CQSZACIVSA-N 1 2 379.258 2.397 20 0 GEADLO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]Cc2n[nH]cc2Br)cc1 ZINC000566107453 532593169 /nfs/dbraw/zinc/59/31/69/532593169.db2.gz KYEHDYVOVLQJAO-AWEZNQCLSA-N 1 2 396.285 2.223 20 0 GEADLO CN1c2ccc(Br)cc2N(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000473522528 532593869 /nfs/dbraw/zinc/59/38/69/532593869.db2.gz GUVBLXLDQGBPJT-HNNXBMFYSA-N 1 2 382.302 2.341 20 0 GEADLO CN1c2ccc(Br)cc2N(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000473522528 532593873 /nfs/dbraw/zinc/59/38/73/532593873.db2.gz GUVBLXLDQGBPJT-HNNXBMFYSA-N 1 2 382.302 2.341 20 0 GEADLO Cc1csc([C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C(F)(F)F)n1 ZINC000297217224 532574668 /nfs/dbraw/zinc/57/46/68/532574668.db2.gz VWNCRIKEVLUBEO-WOPDTQHZSA-N 1 2 380.436 2.463 20 0 GEADLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2csc(-c3cccs3)n2)CC1 ZINC000528730242 532577847 /nfs/dbraw/zinc/57/78/47/532577847.db2.gz SKIPLJXMXAIXRU-UHFFFAOYSA-N 1 2 378.523 2.042 20 0 GEADLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2csc(-c3cccs3)n2)CC1 ZINC000528730242 532577855 /nfs/dbraw/zinc/57/78/55/532577855.db2.gz SKIPLJXMXAIXRU-UHFFFAOYSA-N 1 2 378.523 2.042 20 0 GEADLO C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)c2onc(C3CC3)c2Cl)C[C@H](C)O1 ZINC000632099953 532577951 /nfs/dbraw/zinc/57/79/51/532577951.db2.gz RPXWQMDWTIYNAS-TXEJJXNPSA-N 1 2 391.921 2.373 20 0 GEADLO C[C@@H]1C[N@H+](CCCCNS(=O)(=O)c2onc(C3CC3)c2Cl)C[C@H](C)O1 ZINC000632099953 532577958 /nfs/dbraw/zinc/57/79/58/532577958.db2.gz RPXWQMDWTIYNAS-TXEJJXNPSA-N 1 2 391.921 2.373 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ncc1Br ZINC000375709693 532578064 /nfs/dbraw/zinc/57/80/64/532578064.db2.gz BHAYIWFLOCJOOF-LLVKDONJSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000375712087 532578510 /nfs/dbraw/zinc/57/85/10/532578510.db2.gz VKMLUAWXLADIOB-GJZGRUSLSA-N 1 2 386.880 2.245 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000375712087 532578519 /nfs/dbraw/zinc/57/85/19/532578519.db2.gz VKMLUAWXLADIOB-GJZGRUSLSA-N 1 2 386.880 2.245 20 0 GEADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000566502029 532614719 /nfs/dbraw/zinc/61/47/19/532614719.db2.gz NDESZJBZDBNGSK-OAHLLOKOSA-N 1 2 391.269 2.494 20 0 GEADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000566502029 532614726 /nfs/dbraw/zinc/61/47/26/532614726.db2.gz NDESZJBZDBNGSK-OAHLLOKOSA-N 1 2 391.269 2.494 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)CCc2cccc(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632501402 532614958 /nfs/dbraw/zinc/61/49/58/532614958.db2.gz BKGBYTZYBUQDJW-SJORKVTESA-N 1 2 386.945 2.301 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000632500657 532615234 /nfs/dbraw/zinc/61/52/34/532615234.db2.gz APJZDTJCDNMMNZ-HOTGVXAUSA-N 1 2 390.908 2.398 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)C[C@H]1[NH+]1CCOCC1 ZINC000632500658 532615530 /nfs/dbraw/zinc/61/55/30/532615530.db2.gz APJZDTJCDNMMNZ-HZPDHXFCSA-N 1 2 390.908 2.398 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000284767334 532618722 /nfs/dbraw/zinc/61/87/22/532618722.db2.gz MLKPCORQPKTNCO-GHMZBOCLSA-N 1 2 399.314 2.466 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000284767334 532618725 /nfs/dbraw/zinc/61/87/25/532618725.db2.gz MLKPCORQPKTNCO-GHMZBOCLSA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@@H]2CC[N@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000284767334 532618736 /nfs/dbraw/zinc/61/87/36/532618736.db2.gz MLKPCORQPKTNCO-GHMZBOCLSA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@@H]2CC[N@@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000284767334 532618743 /nfs/dbraw/zinc/61/87/43/532618743.db2.gz MLKPCORQPKTNCO-GHMZBOCLSA-N 1 2 399.314 2.466 20 0 GEADLO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632285478 532597115 /nfs/dbraw/zinc/59/71/15/532597115.db2.gz SFLBKPREHTWZJH-LLVKDONJSA-N 1 2 389.905 2.079 20 0 GEADLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632285478 532597118 /nfs/dbraw/zinc/59/71/18/532597118.db2.gz SFLBKPREHTWZJH-LLVKDONJSA-N 1 2 389.905 2.079 20 0 GEADLO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000434700710 532599732 /nfs/dbraw/zinc/59/97/32/532599732.db2.gz WEOPAUSTGCXMDD-SWLSCSKDSA-N 1 2 379.507 2.419 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000434693333 532599878 /nfs/dbraw/zinc/59/98/78/532599878.db2.gz DVYKUUYLUGMSJB-HNNXBMFYSA-N 1 2 384.318 2.018 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000434693333 532599885 /nfs/dbraw/zinc/59/98/85/532599885.db2.gz DVYKUUYLUGMSJB-HNNXBMFYSA-N 1 2 384.318 2.018 20 0 GEADLO C[N@H+](CCN1CCOC(C)(C)C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000434693333 532599891 /nfs/dbraw/zinc/59/98/91/532599891.db2.gz DVYKUUYLUGMSJB-HNNXBMFYSA-N 1 2 384.318 2.018 20 0 GEADLO C[N@@H+](CCN1CCOC(C)(C)C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000434693333 532599895 /nfs/dbraw/zinc/59/98/95/532599895.db2.gz DVYKUUYLUGMSJB-HNNXBMFYSA-N 1 2 384.318 2.018 20 0 GEADLO Cc1cc(NC(=O)CN(C)[C@H](C)C[NH+]2CCOCC2)ccc1Br ZINC000434712838 532600465 /nfs/dbraw/zinc/60/04/65/532600465.db2.gz DTMLEAACUMQUNU-CQSZACIVSA-N 1 2 384.318 2.349 20 0 GEADLO CCc1nc(NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)sc1C ZINC000434756850 532601454 /nfs/dbraw/zinc/60/14/54/532601454.db2.gz DMOHIODGMPDFIR-UHFFFAOYSA-N 1 2 378.523 2.358 20 0 GEADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000376196347 532601488 /nfs/dbraw/zinc/60/14/88/532601488.db2.gz BUHXBXSIRYAIBI-OLZOCXBDSA-N 1 2 392.327 2.334 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)c1Cl ZINC000632356038 532604830 /nfs/dbraw/zinc/60/48/30/532604830.db2.gz FVUCWVPRMMTLMH-UHFFFAOYSA-N 1 2 379.309 2.255 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000474059743 532606581 /nfs/dbraw/zinc/60/65/81/532606581.db2.gz PCVPJZLUCYHYFD-UHFFFAOYSA-N 1 2 391.331 2.481 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000632386101 532608078 /nfs/dbraw/zinc/60/80/78/532608078.db2.gz UUDUCYBNXHBDQS-CQSZACIVSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000632385025 532608104 /nfs/dbraw/zinc/60/81/04/532608104.db2.gz XYTCUIHIJBGIHN-CYBMUJFWSA-N 1 2 378.416 2.191 20 0 GEADLO CSC[C@@H](C)NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284657287 532608598 /nfs/dbraw/zinc/60/85/98/532608598.db2.gz KKROUWLAWDZBLE-RISCZKNCSA-N 1 2 380.901 2.147 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1ncc(Cl)cc1Br)C1CCOCC1 ZINC000529594815 532608986 /nfs/dbraw/zinc/60/89/86/532608986.db2.gz APNLGAGHOGRTRG-UHFFFAOYSA-N 1 2 397.722 2.181 20 0 GEADLO CSC[C@@H](C)NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284657285 532609420 /nfs/dbraw/zinc/60/94/20/532609420.db2.gz KKROUWLAWDZBLE-BXUZGUMPSA-N 1 2 380.901 2.147 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)C[C@H]1CCCC(F)(F)C1)C(C)(C)CO ZINC000632393049 532609772 /nfs/dbraw/zinc/60/97/72/532609772.db2.gz FGLBWNAOJDCHMD-STQMWFEESA-N 1 2 379.473 2.225 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000376450178 532613407 /nfs/dbraw/zinc/61/34/07/532613407.db2.gz PDHNJFSEUJESEX-GHMZBOCLSA-N 1 2 378.466 2.443 20 0 GEADLO Cc1[nH+]c2cc(NS(=O)(=O)c3cccc(S(C)(=O)=O)c3)ccc2n1C ZINC000530722190 532627213 /nfs/dbraw/zinc/62/72/13/532627213.db2.gz LFJAKWJEIBPSJP-UHFFFAOYSA-N 1 2 379.463 2.086 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000566841668 532628521 /nfs/dbraw/zinc/62/85/21/532628521.db2.gz IAPKWMITKUOOAP-CYBMUJFWSA-N 1 2 382.873 2.226 20 0 GEADLO COC(=O)c1sc2ccccc2c1C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000298126137 532628752 /nfs/dbraw/zinc/62/87/52/532628752.db2.gz KQXXBVAEQYDAKG-GFCCVEGCSA-N 1 2 382.507 2.154 20 0 GEADLO COC(=O)c1sc2ccccc2c1C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000298126137 532628755 /nfs/dbraw/zinc/62/87/55/532628755.db2.gz KQXXBVAEQYDAKG-GFCCVEGCSA-N 1 2 382.507 2.154 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000530809481 532630366 /nfs/dbraw/zinc/63/03/66/532630366.db2.gz FGLGHBRERNASFM-INIZCTEOSA-N 1 2 383.279 2.449 20 0 GEADLO COc1ccc(Br)cc1CN(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000436277868 532631399 /nfs/dbraw/zinc/63/13/99/532631399.db2.gz ZSYZTSWNLQPYPY-UHFFFAOYSA-N 1 2 377.246 2.353 20 0 GEADLO Cn1ncc(N2CCc3c([nH+]cn3-c3ccccc3)C2)c(Br)c1=O ZINC000477135266 532646667 /nfs/dbraw/zinc/64/66/67/532646667.db2.gz IPIMMTPSCXIOBF-UHFFFAOYSA-N 1 2 386.253 2.291 20 0 GEADLO CC(C)c1nnc(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)n1C ZINC000263663342 532633250 /nfs/dbraw/zinc/63/32/50/532633250.db2.gz FTLUGTGLNSZDRU-UHFFFAOYSA-N 1 2 379.555 2.437 20 0 GEADLO CC(C)(CN1C(=O)N[C@H](c2ccccc2Br)C1=O)[NH+]1CCOCC1 ZINC000656794218 532633556 /nfs/dbraw/zinc/63/35/56/532633556.db2.gz LZXIWBMZMCXEHI-CQSZACIVSA-N 1 2 396.285 2.153 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)NCc1c[nH+]c(C)nc1N ZINC000566975832 532634208 /nfs/dbraw/zinc/63/42/08/532634208.db2.gz FISXIQYPSODLAT-UHFFFAOYSA-N 1 2 379.258 2.387 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000567019162 532635729 /nfs/dbraw/zinc/63/57/29/532635729.db2.gz JQLFEFNCLRBBGD-GFCCVEGCSA-N 1 2 392.301 2.365 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000567019162 532635734 /nfs/dbraw/zinc/63/57/34/532635734.db2.gz JQLFEFNCLRBBGD-GFCCVEGCSA-N 1 2 392.301 2.365 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1csc(I)c1 ZINC000598000471 532636176 /nfs/dbraw/zinc/63/61/76/532636176.db2.gz VCHIEEYOGQNOHZ-ZJUUUORDSA-N 1 2 394.278 2.192 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1csc(I)c1 ZINC000598000471 532636180 /nfs/dbraw/zinc/63/61/80/532636180.db2.gz VCHIEEYOGQNOHZ-ZJUUUORDSA-N 1 2 394.278 2.192 20 0 GEADLO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000475043100 532637099 /nfs/dbraw/zinc/63/70/99/532637099.db2.gz UBRIUDPDZUZDTH-KRWDZBQOSA-N 1 2 382.507 2.035 20 0 GEADLO CS[C@@H]1CCC[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000284991236 532637245 /nfs/dbraw/zinc/63/72/45/532637245.db2.gz LNFOJLONBFTBBD-LSDHHAIUSA-N 1 2 381.567 2.013 20 0 GEADLO CS[C@@H]1CCC[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000284991236 532637256 /nfs/dbraw/zinc/63/72/56/532637256.db2.gz LNFOJLONBFTBBD-LSDHHAIUSA-N 1 2 381.567 2.013 20 0 GEADLO CN(C)c1ccc(CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c[nH+]1 ZINC000263722130 532637621 /nfs/dbraw/zinc/63/76/21/532637621.db2.gz JZWREWWXPDNVPC-UHFFFAOYSA-N 1 2 383.857 2.051 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000377043513 532638988 /nfs/dbraw/zinc/63/89/88/532638988.db2.gz MEVPWEFTZUHVMW-UHFFFAOYSA-N 1 2 381.278 2.348 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000377043513 532638996 /nfs/dbraw/zinc/63/89/96/532638996.db2.gz MEVPWEFTZUHVMW-UHFFFAOYSA-N 1 2 381.278 2.348 20 0 GEADLO C[C@@H](CC(F)(F)F)CS(=O)(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000632721085 532641202 /nfs/dbraw/zinc/64/12/02/532641202.db2.gz QWFZJOCDKRVSFJ-ZDUSSCGKSA-N 1 2 380.432 2.428 20 0 GEADLO O=S(=O)(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cnc2ccsc2c1 ZINC000531911794 532641514 /nfs/dbraw/zinc/64/15/14/532641514.db2.gz LHGFAEUSRIPAJR-GOEBONIOSA-N 1 2 381.523 2.218 20 0 GEADLO Cc1nc(CN(C)[C@@H]2CCC[N@H+](Cc3c(Br)cnn3C)CC2)no1 ZINC000475616506 532642114 /nfs/dbraw/zinc/64/21/14/532642114.db2.gz FTLNUCVVEKCSBT-CYBMUJFWSA-N 1 2 397.321 2.361 20 0 GEADLO Cc1nc(CN(C)[C@@H]2CCC[N@@H+](Cc3c(Br)cnn3C)CC2)no1 ZINC000475616506 532642121 /nfs/dbraw/zinc/64/21/21/532642121.db2.gz FTLNUCVVEKCSBT-CYBMUJFWSA-N 1 2 397.321 2.361 20 0 GEADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(Cc3c(Br)cnn3C)CC2)no1 ZINC000475616506 532642126 /nfs/dbraw/zinc/64/21/26/532642126.db2.gz FTLNUCVVEKCSBT-CYBMUJFWSA-N 1 2 397.321 2.361 20 0 GEADLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(Cc3c(Br)cnn3C)CC2)no1 ZINC000475616506 532642129 /nfs/dbraw/zinc/64/21/29/532642129.db2.gz FTLNUCVVEKCSBT-CYBMUJFWSA-N 1 2 397.321 2.361 20 0 GEADLO Cc1cc(Br)ccc1S(=O)(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000567166960 532642971 /nfs/dbraw/zinc/64/29/71/532642971.db2.gz ZKBRRHDCNYKFLO-SNVBAGLBSA-N 1 2 383.258 2.281 20 0 GEADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000263839924 532643682 /nfs/dbraw/zinc/64/36/82/532643682.db2.gz RPKJAIRFXIQUHV-AWEZNQCLSA-N 1 2 382.873 2.339 20 0 GEADLO Cc1cn2cc(NC(=O)c3ccc(CCNS(C)(=O)=O)s3)ccc2[nH+]1 ZINC000263834994 532644101 /nfs/dbraw/zinc/64/41/01/532644101.db2.gz QNPVAFNUMKATKY-UHFFFAOYSA-N 1 2 378.479 2.048 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)s1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263822918 532644367 /nfs/dbraw/zinc/64/43/67/532644367.db2.gz VHVAMPTWPUOTIM-UHFFFAOYSA-N 1 2 397.298 2.370 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1cc(F)ccc1Br ZINC000532067838 532645521 /nfs/dbraw/zinc/64/55/21/532645521.db2.gz HSGSQFQZJYRBKE-UHFFFAOYSA-N 1 2 383.221 2.320 20 0 GEADLO CC[C@]1(C)CC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000532090314 532645706 /nfs/dbraw/zinc/64/57/06/532645706.db2.gz INEWCYLAXKJDEM-CRAIPNDOSA-N 1 2 384.567 2.386 20 0 GEADLO CC[C@]1(C)CC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000532090314 532645709 /nfs/dbraw/zinc/64/57/09/532645709.db2.gz INEWCYLAXKJDEM-CRAIPNDOSA-N 1 2 384.567 2.386 20 0 GEADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1ccc2scc(Br)c2c1 ZINC000567722003 532660238 /nfs/dbraw/zinc/66/02/38/532660238.db2.gz HPYSKLMISVRFRS-GFCCVEGCSA-N 1 2 399.310 2.087 20 0 GEADLO C[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)S(C)(=O)=O ZINC000533158733 532661581 /nfs/dbraw/zinc/66/15/81/532661581.db2.gz OXLKZAKFDZSOJI-CZUORRHYSA-N 1 2 387.933 2.209 20 0 GEADLO Cc1c(Br)cccc1C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000534135924 532669229 /nfs/dbraw/zinc/66/92/29/532669229.db2.gz KVEDPIHQDXGICH-UHFFFAOYSA-N 1 2 377.286 2.173 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)c(C)cc1Br ZINC000567862108 532667238 /nfs/dbraw/zinc/66/72/38/532667238.db2.gz MCMDNFHYPQPQIF-LLVKDONJSA-N 1 2 383.258 2.294 20 0 GEADLO Cc1c(S(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)cnn1-c1ccc(Cl)cc1 ZINC000567861682 532667325 /nfs/dbraw/zinc/66/73/25/532667325.db2.gz NQJQNUGUBLBJRY-MRXNPFEDSA-N 1 2 386.880 2.156 20 0 GEADLO O=S1(=O)CC[C@H]2C[N@@H+](CC3=Cc4cc(Br)ccc4OC3)C[C@H]21 ZINC000377691396 532667512 /nfs/dbraw/zinc/66/75/12/532667512.db2.gz DFOQZTIJFMUINH-BLLLJJGKSA-N 1 2 384.295 2.344 20 0 GEADLO O=S1(=O)CC[C@H]2C[N@H+](CC3=Cc4cc(Br)ccc4OC3)C[C@H]21 ZINC000377691396 532667517 /nfs/dbraw/zinc/66/75/17/532667517.db2.gz DFOQZTIJFMUINH-BLLLJJGKSA-N 1 2 384.295 2.344 20 0 GEADLO O=S(=O)(CCc1ccccc1Cl)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000656922153 532648170 /nfs/dbraw/zinc/64/81/70/532648170.db2.gz XFANKXLRZNSMCS-QGZVFWFLSA-N 1 2 386.945 2.399 20 0 GEADLO C[C@H](CC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br)n1cc[nH+]c1 ZINC000567392284 532651861 /nfs/dbraw/zinc/65/18/61/532651861.db2.gz LKHJDQCZVOQLOG-MLGOLLRUSA-N 1 2 391.269 2.296 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[C@]34CCc3cc(Br)ccc34)C[C@@H]21 ZINC000377328805 532652211 /nfs/dbraw/zinc/65/22/11/532652211.db2.gz DFLYTMPIAXUQAC-NTDBWNAOSA-N 1 2 391.309 2.194 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[C@]34CCc3cc(Br)ccc34)C[C@@H]21 ZINC000377328805 532652218 /nfs/dbraw/zinc/65/22/18/532652218.db2.gz DFLYTMPIAXUQAC-NTDBWNAOSA-N 1 2 391.309 2.194 20 0 GEADLO C[C@@H](CC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br)n1cc[nH+]c1 ZINC000567392282 532652272 /nfs/dbraw/zinc/65/22/72/532652272.db2.gz LKHJDQCZVOQLOG-BLLLJJGKSA-N 1 2 391.269 2.296 20 0 GEADLO Cc1ccccc1NC(=O)CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437246245 532653015 /nfs/dbraw/zinc/65/30/15/532653015.db2.gz MSKNUQXLVBBPTH-UHFFFAOYSA-N 1 2 375.372 2.307 20 0 GEADLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2ncccc2Br)CC1 ZINC000656980990 532653959 /nfs/dbraw/zinc/65/39/59/532653959.db2.gz BLUCKVLUZBSZGP-UHFFFAOYSA-N 1 2 397.298 2.058 20 0 GEADLO COCCC[N@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000532712550 532655463 /nfs/dbraw/zinc/65/54/63/532655463.db2.gz ZFAGYFACNKUVIG-CYBMUJFWSA-N 1 2 375.874 2.094 20 0 GEADLO COCCC[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000532712550 532655466 /nfs/dbraw/zinc/65/54/66/532655466.db2.gz ZFAGYFACNKUVIG-CYBMUJFWSA-N 1 2 375.874 2.094 20 0 GEADLO CC[C@@H](NC(C)=O)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000633011386 532656637 /nfs/dbraw/zinc/65/66/37/532656637.db2.gz SARUWPIJMSHZRJ-CQSZACIVSA-N 1 2 397.273 2.182 20 0 GEADLO O=C(C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)NCC(F)(F)F ZINC000532844528 532657927 /nfs/dbraw/zinc/65/79/27/532657927.db2.gz QCSSPULHTNVEMK-UHFFFAOYSA-N 1 2 382.173 2.342 20 0 GEADLO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)n2)C[C@H]1n1cc[nH+]c1 ZINC000285211881 532657916 /nfs/dbraw/zinc/65/79/16/532657916.db2.gz MCDNDIYWUZQJQC-NWDGAFQWSA-N 1 2 392.257 2.089 20 0 GEADLO O=S(=O)(c1cncc(Cl)c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000532854745 532658006 /nfs/dbraw/zinc/65/80/06/532658006.db2.gz MWCBKGUNGMYKLN-UHFFFAOYSA-N 1 2 381.885 2.120 20 0 GEADLO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)n2)C[C@H]1n1cc[nH+]c1 ZINC000285211901 532658221 /nfs/dbraw/zinc/65/82/21/532658221.db2.gz MCDNDIYWUZQJQC-VXGBXAGGSA-N 1 2 392.257 2.089 20 0 GEADLO COCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000478490261 532658543 /nfs/dbraw/zinc/65/85/43/532658543.db2.gz MSDSQWRRMPLFAF-AWEZNQCLSA-N 1 2 388.249 2.018 20 0 GEADLO COCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000478490261 532658550 /nfs/dbraw/zinc/65/85/50/532658550.db2.gz MSDSQWRRMPLFAF-AWEZNQCLSA-N 1 2 388.249 2.018 20 0 GEADLO CCOC(=O)C[C@H](O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000599372526 532659413 /nfs/dbraw/zinc/65/94/13/532659413.db2.gz VYGIFGVWYMRGCC-GWCFXTLKSA-N 1 2 398.257 2.464 20 0 GEADLO C[C@@H](O)CNc1cc(NCCCS(=O)(=O)c2ccc(Cl)cc2)[nH+]cn1 ZINC000298885602 532683745 /nfs/dbraw/zinc/68/37/45/532683745.db2.gz LJMFVJGPSWHVSC-GFCCVEGCSA-N 1 2 384.889 2.199 20 0 GEADLO C[C@@H](O)CNc1cc(NCCCS(=O)(=O)c2ccc(Cl)cc2)nc[nH+]1 ZINC000298885602 532683750 /nfs/dbraw/zinc/68/37/50/532683750.db2.gz LJMFVJGPSWHVSC-GFCCVEGCSA-N 1 2 384.889 2.199 20 0 GEADLO COc1cc(C[N@H+](C)CCN2CCCS2(=O)=O)c(F)cc1Br ZINC000638160199 532684459 /nfs/dbraw/zinc/68/44/59/532684459.db2.gz HHPMAHYQEYIBSC-UHFFFAOYSA-N 1 2 395.294 2.064 20 0 GEADLO COc1cc(C[N@@H+](C)CCN2CCCS2(=O)=O)c(F)cc1Br ZINC000638160199 532684468 /nfs/dbraw/zinc/68/44/68/532684468.db2.gz HHPMAHYQEYIBSC-UHFFFAOYSA-N 1 2 395.294 2.064 20 0 GEADLO CNC(=O)CCOC1CC[NH+](Cc2snc(OC)c2Br)CC1 ZINC000638165023 532685003 /nfs/dbraw/zinc/68/50/03/532685003.db2.gz NTXQUGPENNZLHO-UHFFFAOYSA-N 1 2 392.319 2.031 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H](S(N)(=O)=O)C3)c2cc1Cl ZINC000377920321 532673198 /nfs/dbraw/zinc/67/31/98/532673198.db2.gz UUEVKNBBMLHICJ-CYBMUJFWSA-N 1 2 384.885 2.262 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](S(N)(=O)=O)C3)c2cc1Cl ZINC000377920321 532673202 /nfs/dbraw/zinc/67/32/02/532673202.db2.gz UUEVKNBBMLHICJ-CYBMUJFWSA-N 1 2 384.885 2.262 20 0 GEADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000534863660 532673937 /nfs/dbraw/zinc/67/39/37/532673937.db2.gz NPCJURLJLRWOLV-QGZVFWFLSA-N 1 2 397.313 2.397 20 0 GEADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000534863660 532673944 /nfs/dbraw/zinc/67/39/44/532673944.db2.gz NPCJURLJLRWOLV-QGZVFWFLSA-N 1 2 397.313 2.397 20 0 GEADLO CC(C)(C)OC(=O)CNC(=O)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000483232253 532674540 /nfs/dbraw/zinc/67/45/40/532674540.db2.gz SDGKPSYWUAHWCO-LBPRGKRZSA-N 1 2 377.268 2.074 20 0 GEADLO O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377939877 532674513 /nfs/dbraw/zinc/67/45/13/532674513.db2.gz CEZJOWIVMNWECU-VIFPVBQESA-N 1 2 397.660 2.438 20 0 GEADLO O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377939877 532674519 /nfs/dbraw/zinc/67/45/19/532674519.db2.gz CEZJOWIVMNWECU-VIFPVBQESA-N 1 2 397.660 2.438 20 0 GEADLO Cc1ccc(O[C@H](C)C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000264472108 532676554 /nfs/dbraw/zinc/67/65/54/532676554.db2.gz UPXCQBUOLASDMV-HUUCEWRRSA-N 1 2 398.345 2.277 20 0 GEADLO COc1cc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)c(F)cc1Br ZINC000638107418 532679885 /nfs/dbraw/zinc/67/98/85/532679885.db2.gz FJGMHTJABYJVHY-JTQLQIEISA-N 1 2 380.279 2.463 20 0 GEADLO COc1cc(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)c(F)cc1Br ZINC000638107418 532679892 /nfs/dbraw/zinc/67/98/92/532679892.db2.gz FJGMHTJABYJVHY-JTQLQIEISA-N 1 2 380.279 2.463 20 0 GEADLO C[N@H+](Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000638097325 532679997 /nfs/dbraw/zinc/67/99/97/532679997.db2.gz UEGAUASUGSKFHS-OAHLLOKOSA-N 1 2 379.507 2.023 20 0 GEADLO C[N@@H+](Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000638097325 532680008 /nfs/dbraw/zinc/68/00/08/532680008.db2.gz UEGAUASUGSKFHS-OAHLLOKOSA-N 1 2 379.507 2.023 20 0 GEADLO C[C@H]1NC(=O)N(CC[N@@H+]2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)C1=O ZINC000661515839 532680395 /nfs/dbraw/zinc/68/03/95/532680395.db2.gz GDEGVSOPQAAKOU-JMSVASOKSA-N 1 2 396.285 2.151 20 0 GEADLO C[C@H]1NC(=O)N(CC[N@H+]2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)C1=O ZINC000661515839 532680399 /nfs/dbraw/zinc/68/03/99/532680399.db2.gz GDEGVSOPQAAKOU-JMSVASOKSA-N 1 2 396.285 2.151 20 0 GEADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000638120633 532682722 /nfs/dbraw/zinc/68/27/22/532682722.db2.gz HYJCIUDRJPIRSH-ZDUSSCGKSA-N 1 2 383.901 2.459 20 0 GEADLO CCOC(=O)c1nc(SC[C@H]2C[N@H+](C)CCO2)ccc1Br ZINC000603392254 532692985 /nfs/dbraw/zinc/69/29/85/532692985.db2.gz FNODUMUQUXTVDU-SNVBAGLBSA-N 1 2 375.288 2.444 20 0 GEADLO CCOC(=O)c1nc(SC[C@H]2C[N@@H+](C)CCO2)ccc1Br ZINC000603392254 532692988 /nfs/dbraw/zinc/69/29/88/532692988.db2.gz FNODUMUQUXTVDU-SNVBAGLBSA-N 1 2 375.288 2.444 20 0 GEADLO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCN(CC(F)F)CC1 ZINC000439459493 532693413 /nfs/dbraw/zinc/69/34/13/532693413.db2.gz VXVJGKFWBSXBCG-CYBMUJFWSA-N 1 2 397.235 2.211 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000299100095 532694457 /nfs/dbraw/zinc/69/44/57/532694457.db2.gz VFUCHJITIYQJJP-QWHCGFSZSA-N 1 2 391.269 2.203 20 0 GEADLO CSC[C@H]1CCC[N@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000569305235 532695717 /nfs/dbraw/zinc/69/57/17/532695717.db2.gz AENKHMJRLVOYID-DOTOQJQBSA-N 1 2 388.599 2.020 20 0 GEADLO CSC[C@H]1CCC[N@@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000569305235 532695720 /nfs/dbraw/zinc/69/57/20/532695720.db2.gz AENKHMJRLVOYID-DOTOQJQBSA-N 1 2 388.599 2.020 20 0 GEADLO COc1ccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000666064810 532696447 /nfs/dbraw/zinc/69/64/47/532696447.db2.gz VZBNHCZNFMFTMG-ZDUSSCGKSA-N 1 2 384.274 2.396 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CSC(C)(C)C)c2)CC1 ZINC000299132323 532697076 /nfs/dbraw/zinc/69/70/76/532697076.db2.gz CZKFGDRXFXKUBS-UHFFFAOYSA-N 1 2 385.555 2.093 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)[C@@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536906156 532699906 /nfs/dbraw/zinc/69/99/06/532699906.db2.gz RSMXKQOJJJVKMG-KCXAZCMYSA-N 1 2 376.881 2.323 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)[C@@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536906156 532699912 /nfs/dbraw/zinc/69/99/12/532699912.db2.gz RSMXKQOJJJVKMG-KCXAZCMYSA-N 1 2 376.881 2.323 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000666691093 532700502 /nfs/dbraw/zinc/70/05/02/532700502.db2.gz VJTRNRITLQOACB-LLVKDONJSA-N 1 2 380.246 2.213 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CSCC(=O)c3ccccc3)CC2)S1 ZINC000266044852 532700844 /nfs/dbraw/zinc/70/08/44/532700844.db2.gz BLXDUIADXJBCSN-CQSZACIVSA-N 1 2 377.535 2.238 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ncccc1Br ZINC000382998098 532701216 /nfs/dbraw/zinc/70/12/16/532701216.db2.gz AHHLLTDUCVWNBP-OAHLLOKOSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ncccc1Br ZINC000382998098 532701222 /nfs/dbraw/zinc/70/12/22/532701222.db2.gz AHHLLTDUCVWNBP-OAHLLOKOSA-N 1 2 390.281 2.475 20 0 GEADLO COCc1ccc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000537032628 532702169 /nfs/dbraw/zinc/70/21/69/532702169.db2.gz WGIAEHPYCBMUBO-UHFFFAOYSA-N 1 2 377.388 2.413 20 0 GEADLO OCC1(CNc2nc[nH+]c(NCC3(CO)CCC3)c2Br)CCC1 ZINC000663793049 532687843 /nfs/dbraw/zinc/68/78/43/532687843.db2.gz HPBKNGWTMOWDGR-UHFFFAOYSA-N 1 2 385.306 2.388 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](CO)c1ccc(Br)cc1 ZINC000535773651 532687943 /nfs/dbraw/zinc/68/79/43/532687943.db2.gz HODDCCFGSHSVDJ-OAHLLOKOSA-N 1 2 381.274 2.459 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)Cn1cc(Br)cn1)c1c(F)cccc1F ZINC000265215809 532688317 /nfs/dbraw/zinc/68/83/17/532688317.db2.gz BWHCZKMXMZXUNR-CYBMUJFWSA-N 1 2 387.228 2.343 20 0 GEADLO COc1ccc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1Br ZINC000285535132 532688665 /nfs/dbraw/zinc/68/86/65/532688665.db2.gz UJLYNBNAQVRYEL-GOEBONIOSA-N 1 2 398.301 2.072 20 0 GEADLO COc1ccc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1Br ZINC000285535132 532688671 /nfs/dbraw/zinc/68/86/71/532688671.db2.gz UJLYNBNAQVRYEL-GOEBONIOSA-N 1 2 398.301 2.072 20 0 GEADLO CC(C)n1cnnc1SCC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000486475631 532689772 /nfs/dbraw/zinc/68/97/72/532689772.db2.gz YZJXEEUMELWXAI-UHFFFAOYSA-N 1 2 376.408 2.369 20 0 GEADLO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639088902 532689813 /nfs/dbraw/zinc/68/98/13/532689813.db2.gz HUWRRYFMBUDAJC-OAHLLOKOSA-N 1 2 391.331 2.081 20 0 GEADLO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639088902 532689815 /nfs/dbraw/zinc/68/98/15/532689815.db2.gz HUWRRYFMBUDAJC-OAHLLOKOSA-N 1 2 391.331 2.081 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000265264681 532690555 /nfs/dbraw/zinc/69/05/55/532690555.db2.gz WAUHKPWOLJOSDC-QWRGUYRKSA-N 1 2 394.324 2.321 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000265264681 532690562 /nfs/dbraw/zinc/69/05/62/532690562.db2.gz WAUHKPWOLJOSDC-QWRGUYRKSA-N 1 2 394.324 2.321 20 0 GEADLO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000378313759 532690791 /nfs/dbraw/zinc/69/07/91/532690791.db2.gz NCLKASHHJXYSAZ-CRAIPNDOSA-N 1 2 384.567 2.183 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285765585 532704801 /nfs/dbraw/zinc/70/48/01/532704801.db2.gz XOPNXVSQZHUPEG-KGLIPLIRSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285765585 532704806 /nfs/dbraw/zinc/70/48/06/532704806.db2.gz XOPNXVSQZHUPEG-KGLIPLIRSA-N 1 2 387.933 2.331 20 0 GEADLO C[N@@H+]1CC[C@@H](NS(=O)(=O)N2CCOC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000537436315 532708436 /nfs/dbraw/zinc/70/84/36/532708436.db2.gz NWUGMDWXBFWDIN-CVEARBPZSA-N 1 2 387.933 2.030 20 0 GEADLO C[N@H+]1CC[C@@H](NS(=O)(=O)N2CCOC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000537436315 532708441 /nfs/dbraw/zinc/70/84/41/532708441.db2.gz NWUGMDWXBFWDIN-CVEARBPZSA-N 1 2 387.933 2.030 20 0 GEADLO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000440273865 532708976 /nfs/dbraw/zinc/70/89/76/532708976.db2.gz WUJUSHMHWGZJCR-LBPRGKRZSA-N 1 2 398.301 2.337 20 0 GEADLO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000440273865 532708979 /nfs/dbraw/zinc/70/89/79/532708979.db2.gz WUJUSHMHWGZJCR-LBPRGKRZSA-N 1 2 398.301 2.337 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCCNc2cccc[nH+]2)c1 ZINC000489592347 532709817 /nfs/dbraw/zinc/70/98/17/532709817.db2.gz SYQODVGPLBGNFQ-UHFFFAOYSA-N 1 2 383.857 2.302 20 0 GEADLO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)c1ncc(Br)cn1 ZINC000573760432 532711629 /nfs/dbraw/zinc/71/16/29/532711629.db2.gz ZHDNJLNRYFMTEY-VIFPVBQESA-N 1 2 379.214 2.257 20 0 GEADLO COC(=O)c1cccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000492220035 532711864 /nfs/dbraw/zinc/71/18/64/532711864.db2.gz QWMGUZAYHHUWHP-UHFFFAOYSA-N 1 2 389.209 2.208 20 0 GEADLO CN(C)c1ccc2cc(NC(=O)CS[C@H]3CCS(=O)(=O)C3)ccc2[nH+]1 ZINC000299348593 532712917 /nfs/dbraw/zinc/71/29/17/532712917.db2.gz HADGDQGBXYURMP-AWEZNQCLSA-N 1 2 379.507 2.160 20 0 GEADLO [NH3+][C@H](C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1cscn1 ZINC000645271049 532716567 /nfs/dbraw/zinc/71/65/67/532716567.db2.gz ATJVCAOVMJGSCN-AWEZNQCLSA-N 1 2 375.479 2.228 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000538732490 532717509 /nfs/dbraw/zinc/71/75/09/532717509.db2.gz QOGSHHZTORFZNU-ZDUSSCGKSA-N 1 2 399.314 2.092 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000538732490 532717519 /nfs/dbraw/zinc/71/75/19/532717519.db2.gz QOGSHHZTORFZNU-ZDUSSCGKSA-N 1 2 399.314 2.092 20 0 GEADLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc(Br)cc2N)C1 ZINC000575300476 532720632 /nfs/dbraw/zinc/72/06/32/532720632.db2.gz UJFCBLYDJISELE-CYBMUJFWSA-N 1 2 390.285 2.168 20 0 GEADLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc(Br)cc2N)C1 ZINC000575300476 532720638 /nfs/dbraw/zinc/72/06/38/532720638.db2.gz UJFCBLYDJISELE-CYBMUJFWSA-N 1 2 390.285 2.168 20 0 GEADLO COC(=O)C[C@@H](NC(=O)CCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000299638769 532732609 /nfs/dbraw/zinc/73/26/09/532732609.db2.gz IAGZCVTZFGPNET-CQSZACIVSA-N 1 2 380.242 2.456 20 0 GEADLO COc1cc[nH+]cc1NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000299489151 532721748 /nfs/dbraw/zinc/72/17/48/532721748.db2.gz MVLKNJSHBVKQSU-UHFFFAOYSA-N 1 2 399.519 2.142 20 0 GEADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+](C)CC(=O)NCc1cccs1 ZINC000497388797 532722603 /nfs/dbraw/zinc/72/26/03/532722603.db2.gz KMBJMSXIJJEWIZ-CYBMUJFWSA-N 1 2 377.535 2.331 20 0 GEADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000497388797 532722609 /nfs/dbraw/zinc/72/26/09/532722609.db2.gz KMBJMSXIJJEWIZ-CYBMUJFWSA-N 1 2 377.535 2.331 20 0 GEADLO CCn1cnc2c(c1=O)CC[N@H+](C[C@@H](O)c1cccc(Br)c1)C2 ZINC000285976207 532722729 /nfs/dbraw/zinc/72/27/29/532722729.db2.gz FACKBADAJNYZIN-MRXNPFEDSA-N 1 2 378.270 2.117 20 0 GEADLO CCn1cnc2c(c1=O)CC[N@@H+](C[C@@H](O)c1cccc(Br)c1)C2 ZINC000285976207 532722735 /nfs/dbraw/zinc/72/27/35/532722735.db2.gz FACKBADAJNYZIN-MRXNPFEDSA-N 1 2 378.270 2.117 20 0 GEADLO CCN(C(C)=O)c1nc(C[N@@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)cs1 ZINC000646109734 532723372 /nfs/dbraw/zinc/72/33/72/532723372.db2.gz YBEXECIJWOQZCC-CQSZACIVSA-N 1 2 378.420 2.016 20 0 GEADLO CCN(C(C)=O)c1nc(C[N@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)cs1 ZINC000646109734 532723380 /nfs/dbraw/zinc/72/33/80/532723380.db2.gz YBEXECIJWOQZCC-CQSZACIVSA-N 1 2 378.420 2.016 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000286000232 532724729 /nfs/dbraw/zinc/72/47/29/532724729.db2.gz ISMAOWKBOKQIPD-CYBMUJFWSA-N 1 2 378.885 2.385 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)c2sccc2S(N)(=O)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000613108727 532726945 /nfs/dbraw/zinc/72/69/45/532726945.db2.gz VNZDRCWAONIWTC-OCCSQVGLSA-N 1 2 399.925 2.224 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2sccc2S(N)(=O)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000613108727 532726948 /nfs/dbraw/zinc/72/69/48/532726948.db2.gz VNZDRCWAONIWTC-OCCSQVGLSA-N 1 2 399.925 2.224 20 0 GEADLO Cn1nncc1CC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000613153840 532727980 /nfs/dbraw/zinc/72/79/80/532727980.db2.gz FZYPRAOUIDKTBY-UHFFFAOYSA-N 1 2 382.295 2.051 20 0 GEADLO O=C(Nc1cc(Cl)ccc1Cl)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673784291 532730782 /nfs/dbraw/zinc/73/07/82/532730782.db2.gz IOZUOHAOXHIYPB-CYBMUJFWSA-N 1 2 386.279 2.255 20 0 GEADLO Cc1cccc2cc(S(=O)(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)sc21 ZINC000645644314 532719085 /nfs/dbraw/zinc/71/90/85/532719085.db2.gz BCXSYVROXYZLNE-CVEARBPZSA-N 1 2 380.535 2.429 20 0 GEADLO COc1cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)sc1Br ZINC000285905538 532719224 /nfs/dbraw/zinc/71/92/24/532719224.db2.gz SDIRSJYNGFBXEU-MNOVXSKESA-N 1 2 389.315 2.454 20 0 GEADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cncc(Br)c2)CC1 ZINC000301193628 532743758 /nfs/dbraw/zinc/74/37/58/532743758.db2.gz JEEWIGBQLKFSHH-AWEZNQCLSA-N 1 2 381.318 2.367 20 0 GEADLO Cn1ncc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(Br)c1=O ZINC000301224114 532744289 /nfs/dbraw/zinc/74/42/89/532744289.db2.gz DWDXDPFTPLFKOS-UHFFFAOYSA-N 1 2 395.276 2.394 20 0 GEADLO Cn1ncc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(Br)c1=O ZINC000301224114 532744292 /nfs/dbraw/zinc/74/42/92/532744292.db2.gz DWDXDPFTPLFKOS-UHFFFAOYSA-N 1 2 395.276 2.394 20 0 GEADLO Cc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)nc[nH+]1 ZINC000301248980 532746450 /nfs/dbraw/zinc/74/64/50/532746450.db2.gz PECLSJTZTFZPDZ-UHFFFAOYSA-N 1 2 397.298 2.058 20 0 GEADLO O=C(c1c[nH]c(C(F)(F)F)c1)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615092244 532746643 /nfs/dbraw/zinc/74/66/43/532746643.db2.gz SDTWQHDMXDOJBX-CYBMUJFWSA-N 1 2 377.432 2.313 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000267149078 532734822 /nfs/dbraw/zinc/73/48/22/532734822.db2.gz ZSQCGAFCXWAPAM-HNNXBMFYSA-N 1 2 391.269 2.402 20 0 GEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000540052048 532735027 /nfs/dbraw/zinc/73/50/27/532735027.db2.gz FIRZBVWPLGMFJE-QWHCGFSZSA-N 1 2 375.332 2.247 20 0 GEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000540052048 532735033 /nfs/dbraw/zinc/73/50/33/532735033.db2.gz FIRZBVWPLGMFJE-QWHCGFSZSA-N 1 2 375.332 2.247 20 0 GEADLO CS(=O)(=O)CC1(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000540056376 532735130 /nfs/dbraw/zinc/73/51/30/532735130.db2.gz PHOFRSOFEYBSQZ-ZDUSSCGKSA-N 1 2 378.416 2.378 20 0 GEADLO CS(=O)(=O)CC1(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000540056376 532735133 /nfs/dbraw/zinc/73/51/33/532735133.db2.gz PHOFRSOFEYBSQZ-ZDUSSCGKSA-N 1 2 378.416 2.378 20 0 GEADLO Cc1ccc2[nH+]c(CNC(=O)Nc3cc(Br)cn(C)c3=O)cn2c1 ZINC000674384498 532736747 /nfs/dbraw/zinc/73/67/47/532736747.db2.gz ATLLFFQZLDZOHL-UHFFFAOYSA-N 1 2 390.241 2.426 20 0 GEADLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000674901751 532737274 /nfs/dbraw/zinc/73/72/74/532737274.db2.gz DVWXTPZESGFGIB-UHFFFAOYSA-N 1 2 376.469 2.476 20 0 GEADLO CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000540342327 532737346 /nfs/dbraw/zinc/73/73/46/532737346.db2.gz JENNNIMHQIXAAC-UHFFFAOYSA-N 1 2 386.882 2.031 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)cc1Br ZINC000501153844 532738862 /nfs/dbraw/zinc/73/88/62/532738862.db2.gz IOUVPKRHRXXCMF-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)cc1Br ZINC000501153844 532738866 /nfs/dbraw/zinc/73/88/66/532738866.db2.gz IOUVPKRHRXXCMF-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000301070777 532739421 /nfs/dbraw/zinc/73/94/21/532739421.db2.gz GVCXNIUWMWLEGP-CYBMUJFWSA-N 1 2 381.318 2.413 20 0 GEADLO CC(C)NC(=O)C[NH+]1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000301110017 532740990 /nfs/dbraw/zinc/74/09/90/532740990.db2.gz QXZWKNCSGGJQCK-UHFFFAOYSA-N 1 2 392.301 2.039 20 0 GEADLO C[C@H]1CCSCC[N@@H+]1CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000502835721 532741133 /nfs/dbraw/zinc/74/11/33/532741133.db2.gz GFCUMOJAXKNBDS-RDJZCZTQSA-N 1 2 388.599 2.162 20 0 GEADLO C[C@H]1CCSCC[N@H+]1CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000502835721 532741135 /nfs/dbraw/zinc/74/11/35/532741135.db2.gz GFCUMOJAXKNBDS-RDJZCZTQSA-N 1 2 388.599 2.162 20 0 GEADLO C[C@H]1Cc2cc(-c3csc([C@@H]4COCC[NH2+]4)n3)ccc2N1S(C)(=O)=O ZINC000446155753 532755044 /nfs/dbraw/zinc/75/50/44/532755044.db2.gz ICWAFEDKNOOLIF-FZMZJTMJSA-N 1 2 379.507 2.182 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)[C@H]1CC12CCS(=O)(=O)CC2)c1ccc(Cl)cc1 ZINC000581507351 532757240 /nfs/dbraw/zinc/75/72/40/532757240.db2.gz TWJPQCQUDVRBOH-HZPDHXFCSA-N 1 2 384.929 2.274 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N(C)Cc2cc(Br)cn2C)c(C)[nH+]1 ZINC000268239993 532758107 /nfs/dbraw/zinc/75/81/07/532758107.db2.gz LSQUAGIMTIUXHE-UHFFFAOYSA-N 1 2 379.258 2.397 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)c1ncccc1Br)C1CCOCC1 ZINC000286607307 532758265 /nfs/dbraw/zinc/75/82/65/532758265.db2.gz AYYGHZIJKYEMJT-CYBMUJFWSA-N 1 2 379.258 2.475 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)ncc1Cl ZINC000286651217 532759993 /nfs/dbraw/zinc/75/99/93/532759993.db2.gz DQPUKRPCFFBNGC-MNOVXSKESA-N 1 2 388.693 2.433 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411407809 532760090 /nfs/dbraw/zinc/76/00/90/532760090.db2.gz NAOQITCSRIJQJJ-MFKMUULPSA-N 1 2 377.794 2.222 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411407809 532760092 /nfs/dbraw/zinc/76/00/92/532760092.db2.gz NAOQITCSRIJQJJ-MFKMUULPSA-N 1 2 377.794 2.222 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCCS(=O)(=O)C1)c1ccsc1 ZINC000286673362 532762024 /nfs/dbraw/zinc/76/20/24/532762024.db2.gz YDRQQWFMCRFSKE-HOCLYGCPSA-N 1 2 387.571 2.255 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(SC)c2)CCO1 ZINC000411480788 532762953 /nfs/dbraw/zinc/76/29/53/532762953.db2.gz WPTPZFDWXUHEHC-ZDUSSCGKSA-N 1 2 385.917 2.227 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(SC)c2)CCO1 ZINC000411480788 532762957 /nfs/dbraw/zinc/76/29/57/532762957.db2.gz WPTPZFDWXUHEHC-ZDUSSCGKSA-N 1 2 385.917 2.227 20 0 GEADLO O=S1(=O)CCCN1CCNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443514301 532748196 /nfs/dbraw/zinc/74/81/96/532748196.db2.gz ZNELJPULFRTMLR-UHFFFAOYSA-N 1 2 388.262 2.006 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCCCOCC1CCOCC1 ZINC000301328556 532748868 /nfs/dbraw/zinc/74/88/68/532748868.db2.gz CMXVQEWNMDBMTH-UHFFFAOYSA-N 1 2 384.278 2.371 20 0 GEADLO Cn1c(SCC(=O)N2CC[NH+](Cc3ccsc3)CC2)nnc1C(F)F ZINC000541172959 532749182 /nfs/dbraw/zinc/74/91/82/532749182.db2.gz LINHTWWGNFPQJH-UHFFFAOYSA-N 1 2 387.481 2.251 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000580855022 532750375 /nfs/dbraw/zinc/75/03/75/532750375.db2.gz GRWPXNCRKYFWPM-CQSZACIVSA-N 1 2 388.917 2.082 20 0 GEADLO O=C(CCc1ccon1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000616148290 532750874 /nfs/dbraw/zinc/75/08/74/532750874.db2.gz UXYQMWUUDUNWBC-UHFFFAOYSA-N 1 2 381.230 2.240 20 0 GEADLO CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)cs2)cc1 ZINC000541323486 532750996 /nfs/dbraw/zinc/75/09/96/532750996.db2.gz DPISUIWVBCESHP-JQFCIGGWSA-N 1 2 378.519 2.416 20 0 GEADLO CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)cs2)cc1 ZINC000541323486 532751000 /nfs/dbraw/zinc/75/10/00/532751000.db2.gz DPISUIWVBCESHP-JQFCIGGWSA-N 1 2 378.519 2.416 20 0 GEADLO CO[C@H]1CC[C@@H](C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000616146834 532750931 /nfs/dbraw/zinc/75/09/31/532750931.db2.gz OOJPVJMEZOREAU-NEPJUHHUSA-N 1 2 384.274 2.434 20 0 GEADLO C[N@@H+]1CC[C@H](Nc2ncc(S(N)(=O)=O)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302819125 532774832 /nfs/dbraw/zinc/77/48/32/532774832.db2.gz JFBBUKJIFIFGHT-WCQYABFASA-N 1 2 390.893 2.440 20 0 GEADLO C[N@H+]1CC[C@H](Nc2ncc(S(N)(=O)=O)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302819125 532774836 /nfs/dbraw/zinc/77/48/36/532774836.db2.gz JFBBUKJIFIFGHT-WCQYABFASA-N 1 2 390.893 2.440 20 0 GEADLO Cc1c([C@H](C)[NH2+]CCS(C)(=O)=O)nnn1-c1cccc(Br)c1 ZINC000269033261 532775232 /nfs/dbraw/zinc/77/52/32/532775232.db2.gz SDOKQKBPLNGDLJ-JTQLQIEISA-N 1 2 387.303 2.033 20 0 GEADLO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000303095809 532775746 /nfs/dbraw/zinc/77/57/46/532775746.db2.gz FPTRLGVZSUABEQ-JTQLQIEISA-N 1 2 388.902 2.157 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)C[C@H]1CCCCC1(F)F)[NH+]1CCN(C)CC1 ZINC000583065558 532763700 /nfs/dbraw/zinc/76/37/00/532763700.db2.gz LMDVOYRSZHNCEK-CVEARBPZSA-N 1 2 381.533 2.003 20 0 GEADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC(=O)N1CCOCC1 ZINC000508678018 532764430 /nfs/dbraw/zinc/76/44/30/532764430.db2.gz PDLNDBQMEXREDY-MRXNPFEDSA-N 1 2 389.279 2.388 20 0 GEADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000508678018 532764435 /nfs/dbraw/zinc/76/44/35/532764435.db2.gz PDLNDBQMEXREDY-MRXNPFEDSA-N 1 2 389.279 2.388 20 0 GEADLO CCOCCS(=O)(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542054257 532764589 /nfs/dbraw/zinc/76/45/89/532764589.db2.gz DMIVWVNJHZKMTE-HOCLYGCPSA-N 1 2 380.432 2.195 20 0 GEADLO CCOCCS(=O)(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542054257 532764593 /nfs/dbraw/zinc/76/45/93/532764593.db2.gz DMIVWVNJHZKMTE-HOCLYGCPSA-N 1 2 380.432 2.195 20 0 GEADLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000268502981 532767138 /nfs/dbraw/zinc/76/71/38/532767138.db2.gz XTPAFYSFVKCOIB-JNIYBQFBSA-N 1 2 388.295 2.134 20 0 GEADLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000268502981 532767141 /nfs/dbraw/zinc/76/71/41/532767141.db2.gz XTPAFYSFVKCOIB-JNIYBQFBSA-N 1 2 388.295 2.134 20 0 GEADLO O=C(C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1)N1CCCC1 ZINC000302167601 532767772 /nfs/dbraw/zinc/76/77/72/532767772.db2.gz CDIFRKDKWBPXRX-UHFFFAOYSA-N 1 2 384.307 2.303 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCCCS1(=O)=O)c1ccsc1 ZINC000542254950 532768758 /nfs/dbraw/zinc/76/87/58/532768758.db2.gz TXZFXKFCIXKMSR-HZPDHXFCSA-N 1 2 387.571 2.398 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1ccc(Br)cc1F ZINC000286806756 532770161 /nfs/dbraw/zinc/77/01/61/532770161.db2.gz VIEHLBVBCOBRRL-PSLIRLAXSA-N 1 2 397.248 2.236 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1ccc(Br)cc1F ZINC000286806756 532770167 /nfs/dbraw/zinc/77/01/67/532770167.db2.gz VIEHLBVBCOBRRL-PSLIRLAXSA-N 1 2 397.248 2.236 20 0 GEADLO CN1CCN(c2cc(NCc3ccccc3Br)[nH+]cn2)CC1=O ZINC000302581717 532771613 /nfs/dbraw/zinc/77/16/13/532771613.db2.gz STCZFSQLLWRXJK-UHFFFAOYSA-N 1 2 376.258 2.130 20 0 GEADLO CN1CCN(c2cc(NCc3ccccc3Br)nc[nH+]2)CC1=O ZINC000302581717 532771617 /nfs/dbraw/zinc/77/16/17/532771617.db2.gz STCZFSQLLWRXJK-UHFFFAOYSA-N 1 2 376.258 2.130 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000269315685 532779775 /nfs/dbraw/zinc/77/97/75/532779775.db2.gz KBJMKZGFUHNJPR-LBPRGKRZSA-N 1 2 379.258 2.406 20 0 GEADLO O=C(N1CCSCC1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000510021496 532771882 /nfs/dbraw/zinc/77/18/82/532771882.db2.gz TUIPDFGMELSTMB-UHFFFAOYSA-N 1 2 379.917 2.274 20 0 GEADLO Cc1c(Br)cccc1NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000588989634 532773109 /nfs/dbraw/zinc/77/31/09/532773109.db2.gz QRUSDJWOYOHIJE-UHFFFAOYSA-N 1 2 391.269 2.473 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1Cl ZINC000510440237 532773617 /nfs/dbraw/zinc/77/36/17/532773617.db2.gz CEYHWVULDBLXML-CQSZACIVSA-N 1 2 383.857 2.290 20 0 GEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000268993233 532774162 /nfs/dbraw/zinc/77/41/62/532774162.db2.gz WNLGLZREPBXUED-UONOGXRCSA-N 1 2 384.523 2.378 20 0 GEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000268993233 532774167 /nfs/dbraw/zinc/77/41/67/532774167.db2.gz WNLGLZREPBXUED-UONOGXRCSA-N 1 2 384.523 2.378 20 0 GEADLO CNC(=O)NC1CC[NH+](Cc2cc(Br)ccc2C(=O)OC)CC1 ZINC000412056308 532784354 /nfs/dbraw/zinc/78/43/54/532784354.db2.gz SHWNYKIRJPMHAI-UHFFFAOYSA-N 1 2 384.274 2.129 20 0 GEADLO CC[C@@H]1C[C@H](C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)CC(=O)N1 ZINC000546822613 532785965 /nfs/dbraw/zinc/78/59/65/532785965.db2.gz BECVFQBDHHRMQX-WCQYABFASA-N 1 2 393.285 2.326 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(C)cc2Br)C1 ZINC000412366490 532789417 /nfs/dbraw/zinc/78/94/17/532789417.db2.gz ZNUYCCHBSJKGQW-AWEZNQCLSA-N 1 2 397.313 2.301 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(C)cc2Br)C1 ZINC000412366490 532789418 /nfs/dbraw/zinc/78/94/18/532789418.db2.gz ZNUYCCHBSJKGQW-AWEZNQCLSA-N 1 2 397.313 2.301 20 0 GEADLO C[NH+](C)Cc1csc(NC(=O)c2cc(I)c[nH]2)n1 ZINC000457308661 532789878 /nfs/dbraw/zinc/78/98/78/532789878.db2.gz HJVYJROJNLDLSL-UHFFFAOYSA-N 1 2 376.223 2.390 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)COc2c(Cl)cccc2Cl)C1 ZINC000412373482 532790018 /nfs/dbraw/zinc/79/00/18/532790018.db2.gz RZCPVRVABZWDIK-GFCCVEGCSA-N 1 2 389.279 2.373 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)COc2c(Cl)cccc2Cl)C1 ZINC000412373482 532790021 /nfs/dbraw/zinc/79/00/21/532790021.db2.gz RZCPVRVABZWDIK-GFCCVEGCSA-N 1 2 389.279 2.373 20 0 GEADLO Cc1cc(C)c(CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)c[nH+]1 ZINC000412400790 532790600 /nfs/dbraw/zinc/79/06/00/532790600.db2.gz FCWRNFAUMAGMJH-UHFFFAOYSA-N 1 2 381.885 2.337 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1ccc(Br)cc1 ZINC000548478989 532791525 /nfs/dbraw/zinc/79/15/25/532791525.db2.gz FKFRDEAJJQYKEB-UHFFFAOYSA-N 1 2 394.273 2.622 20 0 GEADLO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cnc1Br ZINC000287319891 532791545 /nfs/dbraw/zinc/79/15/45/532791545.db2.gz XIGPDMLQYXLIJJ-JSGCOSHPSA-N 1 2 383.290 2.479 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000287401663 532793592 /nfs/dbraw/zinc/79/35/92/532793592.db2.gz KQVWIKOJIPMFNN-QWRGUYRKSA-N 1 2 378.420 2.167 20 0 GEADLO COc1cc(Br)ccc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287425905 532795165 /nfs/dbraw/zinc/79/51/65/532795165.db2.gz QLDUXBUDFAWDNB-TZMCWYRMSA-N 1 2 383.286 2.393 20 0 GEADLO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CCCS(=O)(=O)C1 ZINC000287046116 532780475 /nfs/dbraw/zinc/78/04/75/532780475.db2.gz IRTIIBHBGMTJGX-CABCVRRESA-N 1 2 385.555 2.009 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000287072479 532781383 /nfs/dbraw/zinc/78/13/83/532781383.db2.gz MVAQZYORWLLYFR-UHFFFAOYSA-N 1 2 399.676 2.111 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c(Br)c1 ZINC000411940416 532781442 /nfs/dbraw/zinc/78/14/42/532781442.db2.gz OAQDGFAMISGCHQ-QWHCGFSZSA-N 1 2 382.302 2.495 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c(Br)c1 ZINC000411940416 532781444 /nfs/dbraw/zinc/78/14/44/532781444.db2.gz OAQDGFAMISGCHQ-QWHCGFSZSA-N 1 2 382.302 2.495 20 0 GEADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c(Br)c1 ZINC000411940415 532781811 /nfs/dbraw/zinc/78/18/11/532781811.db2.gz OAQDGFAMISGCHQ-OLZOCXBDSA-N 1 2 382.302 2.495 20 0 GEADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(=O)N(C)C)C2)c(Br)c1 ZINC000411940415 532781816 /nfs/dbraw/zinc/78/18/16/532781816.db2.gz OAQDGFAMISGCHQ-OLZOCXBDSA-N 1 2 382.302 2.495 20 0 GEADLO CC[S@@](=O)CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412974011 532805081 /nfs/dbraw/zinc/80/50/81/532805081.db2.gz ROPNTJHPSGNLJO-JOCHJYFZSA-N 1 2 387.343 2.298 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000329282476 532805331 /nfs/dbraw/zinc/80/53/31/532805331.db2.gz NPAIOVHLRAIUAY-LBPRGKRZSA-N 1 2 399.563 2.064 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000329282476 532805335 /nfs/dbraw/zinc/80/53/35/532805335.db2.gz NPAIOVHLRAIUAY-LBPRGKRZSA-N 1 2 399.563 2.064 20 0 GEADLO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000413137227 532807268 /nfs/dbraw/zinc/80/72/68/532807268.db2.gz YVSZPUFLYDIEJQ-LBPRGKRZSA-N 1 2 384.889 2.218 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)C[C@H]12 ZINC000329468474 532807364 /nfs/dbraw/zinc/80/73/64/532807364.db2.gz XJFSXJJVDPHVSD-QVQLBTGDSA-N 1 2 376.265 2.177 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)C[C@H]12 ZINC000329468474 532807366 /nfs/dbraw/zinc/80/73/66/532807366.db2.gz XJFSXJJVDPHVSD-QVQLBTGDSA-N 1 2 376.265 2.177 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1cc(F)ccc1Br ZINC000413140945 532807456 /nfs/dbraw/zinc/80/74/56/532807456.db2.gz GORCMGRQPFVPAL-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CN(C)c1nc2sc(C(=O)N3CCN(Cc4[nH]cc[nH+]4)CC3)cc2s1 ZINC000329589433 532808512 /nfs/dbraw/zinc/80/85/12/532808512.db2.gz ZGQAPBCFBHBKDA-UHFFFAOYSA-N 1 2 376.511 2.105 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000555680249 532808661 /nfs/dbraw/zinc/80/86/61/532808661.db2.gz HECZGBCVJLXXIC-HUUCEWRRSA-N 1 2 392.297 2.175 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@]2(O)CCOC2)CC1 ZINC000413357183 532810815 /nfs/dbraw/zinc/81/08/15/532810815.db2.gz DBRAWNCLMGITEC-FUHWJXTLSA-N 1 2 397.313 2.196 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(F)cc1Br ZINC000287507738 532798747 /nfs/dbraw/zinc/79/87/47/532798747.db2.gz RDUPANOUOSFWEA-JTQLQIEISA-N 1 2 383.221 2.237 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2nccnc2c1Br ZINC000287549143 532799457 /nfs/dbraw/zinc/79/94/57/532799457.db2.gz CPJMPWBVZUVTDG-UHFFFAOYSA-N 1 2 394.273 2.188 20 0 GEADLO Cc1nc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)ccc1Br ZINC000287569937 532800220 /nfs/dbraw/zinc/80/02/20/532800220.db2.gz NBHAKWIQANJEFB-DGCLKSJQSA-N 1 2 383.290 2.479 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](Cc3nnc(-c4ccccc4Br)o3)C[C@@H]12 ZINC000328927342 532800347 /nfs/dbraw/zinc/80/03/47/532800347.db2.gz WZXJFNHIYDYGSX-NSHDSACASA-N 1 2 392.213 2.075 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](Cc3nnc(-c4ccccc4Br)o3)C[C@@H]12 ZINC000328927342 532800353 /nfs/dbraw/zinc/80/03/53/532800353.db2.gz WZXJFNHIYDYGSX-NSHDSACASA-N 1 2 392.213 2.075 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000556376169 532811143 /nfs/dbraw/zinc/81/11/43/532811143.db2.gz XCYDSQSVUXKBPC-HIFRSBDPSA-N 1 2 380.432 2.148 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000556376169 532811146 /nfs/dbraw/zinc/81/11/46/532811146.db2.gz XCYDSQSVUXKBPC-HIFRSBDPSA-N 1 2 380.432 2.148 20 0 GEADLO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(Cl)ccc1F ZINC000556371539 532811171 /nfs/dbraw/zinc/81/11/71/532811171.db2.gz JHZNCMNDNPABDL-HUUCEWRRSA-N 1 2 376.881 2.401 20 0 GEADLO Cc1nc(CNc2[nH+]cnc3c2c(Br)nn3C)ccc1[C@H](C)O ZINC000271165845 532803689 /nfs/dbraw/zinc/80/36/89/532803689.db2.gz RYEAYZACBUOAMR-VIFPVBQESA-N 1 2 377.246 2.495 20 0 GEADLO CC(C)CN1C[C@H](C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC1=O ZINC000556682892 532811906 /nfs/dbraw/zinc/81/19/06/532811906.db2.gz HZSBWWJHESYXAT-LLVKDONJSA-N 1 2 383.290 2.353 20 0 GEADLO CC1(CS(=O)(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC000330026773 532813602 /nfs/dbraw/zinc/81/36/02/532813602.db2.gz LZLSXLWWNDSYIO-QGZVFWFLSA-N 1 2 376.588 2.084 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330092662 532814070 /nfs/dbraw/zinc/81/40/70/532814070.db2.gz YYFVBZUPIZFQBF-SNVBAGLBSA-N 1 2 388.262 2.386 20 0 GEADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2cccc(Br)n2)C1 ZINC000272376135 532814532 /nfs/dbraw/zinc/81/45/32/532814532.db2.gz CWTYAAIFOXWOSE-CYBMUJFWSA-N 1 2 398.301 2.078 20 0 GEADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2cccc(Br)n2)C1 ZINC000272376135 532814534 /nfs/dbraw/zinc/81/45/34/532814534.db2.gz CWTYAAIFOXWOSE-CYBMUJFWSA-N 1 2 398.301 2.078 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1cccc(Br)c1 ZINC000288094527 532817302 /nfs/dbraw/zinc/81/73/02/532817302.db2.gz KQXUPQUYARNFKX-CJNGLKHVSA-N 1 2 382.302 2.454 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000330377266 532817404 /nfs/dbraw/zinc/81/74/04/532817404.db2.gz PYLVTLHTLHFQAW-ZDUSSCGKSA-N 1 2 375.560 2.095 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000330377266 532817405 /nfs/dbraw/zinc/81/74/05/532817405.db2.gz PYLVTLHTLHFQAW-ZDUSSCGKSA-N 1 2 375.560 2.095 20 0 GEADLO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000288105887 532817825 /nfs/dbraw/zinc/81/78/25/532817825.db2.gz LHTOVGBEWKVSHZ-GFCCVEGCSA-N 1 2 395.903 2.170 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413969440 532816334 /nfs/dbraw/zinc/81/63/34/532816334.db2.gz VHBBVXOBZKIQNP-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000330419269 532818007 /nfs/dbraw/zinc/81/80/07/532818007.db2.gz QGXHBGBNVWRTHF-LBPRGKRZSA-N 1 2 380.432 2.260 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1cccc(Br)c1 ZINC000288094534 532817171 /nfs/dbraw/zinc/81/71/71/532817171.db2.gz KQXUPQUYARNFKX-XJKSGUPXSA-N 1 2 382.302 2.454 20 0 GEADLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414065073 532818946 /nfs/dbraw/zinc/81/89/46/532818946.db2.gz FJWBEYLJIXTOJJ-MNOVXSKESA-N 1 2 383.495 2.250 20 0 GEADLO COc1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc(Br)c1OC ZINC000330477035 532819240 /nfs/dbraw/zinc/81/92/40/532819240.db2.gz VWABLRZBLAJDLF-ZDUSSCGKSA-N 1 2 399.285 2.013 20 0 GEADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)s1 ZINC000414146500 532819914 /nfs/dbraw/zinc/81/99/14/532819914.db2.gz LKONMCBQQGNQGK-LLVKDONJSA-N 1 2 383.495 2.031 20 0 GEADLO CCOC(=O)c1cc(Cl)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000414148759 532819935 /nfs/dbraw/zinc/81/99/35/532819935.db2.gz TXXYLEMSNSDNBB-ZDUSSCGKSA-N 1 2 391.295 2.157 20 0 GEADLO CC(=O)[C@@H](NC(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1)C(C)C ZINC000330675156 532825071 /nfs/dbraw/zinc/82/50/71/532825071.db2.gz HBTHNVQLMAADQD-INIZCTEOSA-N 1 2 385.306 2.012 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)Cn3cc[nH+]c3)nc12 ZINC000273496312 532825329 /nfs/dbraw/zinc/82/53/29/532825329.db2.gz QSXYDZLLVXOHAR-LBPRGKRZSA-N 1 2 391.273 2.490 20 0 GEADLO C[C@H](Cc1ccc(F)c(Br)c1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288435911 532827297 /nfs/dbraw/zinc/82/72/97/532827297.db2.gz SCROBGOOZCJZBL-OTYXRUKQSA-N 1 2 395.232 2.405 20 0 GEADLO C[C@H](Cc1ccc(F)c(Br)c1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288435911 532827310 /nfs/dbraw/zinc/82/73/10/532827310.db2.gz SCROBGOOZCJZBL-OTYXRUKQSA-N 1 2 395.232 2.405 20 0 GEADLO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000330806343 532827724 /nfs/dbraw/zinc/82/77/24/532827724.db2.gz MFEPZQQQYULSED-IOASZLSFSA-N 1 2 375.485 2.380 20 0 GEADLO Cc1cc(C[NH2+]CC(=O)Nc2ccc(I)cc2)nn1C ZINC000414455238 532828395 /nfs/dbraw/zinc/82/83/95/532828395.db2.gz SHQQHNPVCAFAJE-UHFFFAOYSA-N 1 2 384.221 2.061 20 0 GEADLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)s1 ZINC000273615126 532828436 /nfs/dbraw/zinc/82/84/36/532828436.db2.gz PFLUFRXIIBMQKV-MRVPVSSYSA-N 1 2 379.511 2.175 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)Cn1cc[nH+]c1 ZINC000414468124 532829518 /nfs/dbraw/zinc/82/95/18/532829518.db2.gz JPDHHBGCOLFDDU-LBPRGKRZSA-N 1 2 377.388 2.439 20 0 GEADLO CNC(=O)NC1CC[NH+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000414540533 532831685 /nfs/dbraw/zinc/83/16/85/532831685.db2.gz GQNMBXBVOYZWJL-UHFFFAOYSA-N 1 2 383.283 2.468 20 0 GEADLO OC[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2)CC[C@H]1O ZINC000414559931 532831813 /nfs/dbraw/zinc/83/18/13/532831813.db2.gz PZFAZLUHDRKJTE-GXFFZTMASA-N 1 2 379.092 2.387 20 0 GEADLO OC[C@@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2)CC[C@H]1O ZINC000414559931 532831817 /nfs/dbraw/zinc/83/18/17/532831817.db2.gz PZFAZLUHDRKJTE-GXFFZTMASA-N 1 2 379.092 2.387 20 0 GEADLO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000288572637 532831838 /nfs/dbraw/zinc/83/18/38/532831838.db2.gz NBWJJUSDGIULDA-TVQRCGJNSA-N 1 2 375.281 2.097 20 0 GEADLO CN(C)C(=O)C1([NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000414492595 532831233 /nfs/dbraw/zinc/83/12/33/532831233.db2.gz ZRXMCHCVMJLETJ-UHFFFAOYSA-N 1 2 377.080 2.317 20 0 GEADLO CCC(=O)N1CC[C@H](C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000273789416 532834467 /nfs/dbraw/zinc/83/44/67/532834467.db2.gz BMEXCTXLQWZHCG-LBPRGKRZSA-N 1 2 393.285 2.280 20 0 GEADLO COc1cc[nH+]cc1COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000288641481 532833620 /nfs/dbraw/zinc/83/36/20/532833620.db2.gz LAXDHJPMPLGLFE-UHFFFAOYSA-N 1 2 384.841 2.351 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000331193600 532835858 /nfs/dbraw/zinc/83/58/58/532835858.db2.gz RAPRIQZNNONFCJ-AAEUAGOBSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[N@H+]1C[C@H](C)O ZINC000331193600 532835860 /nfs/dbraw/zinc/83/58/60/532835860.db2.gz RAPRIQZNNONFCJ-AAEUAGOBSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1CCC[C@H](C)N1C(=O)CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000331233195 532836408 /nfs/dbraw/zinc/83/64/08/532836408.db2.gz JYUMFRITNATSPS-TXEJJXNPSA-N 1 2 381.420 2.150 20 0 GEADLO O=C(c1ccc2c(c1)OCCO2)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000024178900 209238062 /nfs/dbraw/zinc/23/80/62/209238062.db2.gz KZJKSDJVQWSVFO-UHFFFAOYSA-N 1 2 396.443 2.187 20 0 GEADLO CC(=O)N1CCC[C@H](C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000274002086 532839349 /nfs/dbraw/zinc/83/93/49/532839349.db2.gz PMWJWHUZMJZPMH-ZDUSSCGKSA-N 1 2 393.285 2.280 20 0 GEADLO COc1cccc([C@H](NC(=O)NC[C@@H](O)Cc2ccccc2)c2[nH+]ccn2C)c1 ZINC000359926512 209204352 /nfs/dbraw/zinc/20/43/52/209204352.db2.gz HDBJVEOSIMAADI-ICSRJNTNSA-N 1 2 394.475 2.421 20 0 GEADLO CCN1CCN(S(=O)(=O)c2ccccc2Br)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328642808 209152819 /nfs/dbraw/zinc/15/28/19/209152819.db2.gz YMOKIMDOCVVYKR-CYBMUJFWSA-N 1 2 399.314 2.240 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000331700746 532842749 /nfs/dbraw/zinc/84/27/49/532842749.db2.gz FCLOLWSATCNOCJ-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)Oc1ccc(Br)c(F)c1 ZINC000274193251 532844170 /nfs/dbraw/zinc/84/41/70/532844170.db2.gz FOCNTNDYQPDXJU-UHFFFAOYSA-N 1 2 382.251 2.019 20 0 GEADLO Cc1nc2[nH]c(SCCC(=O)N3CC[NH+](C)CC3)nc2cc1Br ZINC000332019223 532848091 /nfs/dbraw/zinc/84/80/91/532848091.db2.gz YYDNVBWOOZRGND-UHFFFAOYSA-N 1 2 398.330 2.285 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000289156342 532848882 /nfs/dbraw/zinc/84/88/82/532848882.db2.gz RYLLMWRRUIZVDT-YPMHNXCESA-N 1 2 386.279 2.254 20 0 GEADLO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000332187844 532849582 /nfs/dbraw/zinc/84/95/82/532849582.db2.gz OYLNIGYVJSGBNH-NHYWBVRUSA-N 1 2 391.320 2.465 20 0 GEADLO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000332187844 532849587 /nfs/dbraw/zinc/84/95/87/532849587.db2.gz OYLNIGYVJSGBNH-NHYWBVRUSA-N 1 2 391.320 2.465 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1cncc(Br)c1 ZINC000332303685 532851774 /nfs/dbraw/zinc/85/17/74/532851774.db2.gz GHPWXTSSVWBKLK-UHFFFAOYSA-N 1 2 385.287 2.198 20 0 GEADLO CC(C)N1CC[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1=O ZINC000289501265 532857009 /nfs/dbraw/zinc/85/70/09/532857009.db2.gz MATIPXKHGXADBR-AWEZNQCLSA-N 1 2 378.274 2.129 20 0 GEADLO Cc1c(Cl)cc(F)c(NC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1F ZINC000415804414 532858278 /nfs/dbraw/zinc/85/82/78/532858278.db2.gz KXSAXACVPVKDTR-MRVPVSSYSA-N 1 2 381.757 2.226 20 0 GEADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCc3n[nH]c(=O)cc3C2)ccc1Br ZINC000274918084 532859571 /nfs/dbraw/zinc/85/95/71/532859571.db2.gz YJPFNODAJKHAFB-NSHDSACASA-N 1 2 391.269 2.226 20 0 GEADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCc3n[nH]c(=O)cc3C2)ccc1Br ZINC000274918084 532859573 /nfs/dbraw/zinc/85/95/73/532859573.db2.gz YJPFNODAJKHAFB-NSHDSACASA-N 1 2 391.269 2.226 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274943320 532860449 /nfs/dbraw/zinc/86/04/49/532860449.db2.gz FQYSSFCFCZZXOE-UHFFFAOYSA-N 1 2 381.263 2.093 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274943320 532860452 /nfs/dbraw/zinc/86/04/52/532860452.db2.gz FQYSSFCFCZZXOE-UHFFFAOYSA-N 1 2 381.263 2.093 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289633706 532861029 /nfs/dbraw/zinc/86/10/29/532861029.db2.gz SBXQOLUISBXCFP-UHFFFAOYSA-N 1 2 386.271 2.167 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCCS(=O)(=O)C3)n2)C1 ZINC000332826150 532861885 /nfs/dbraw/zinc/86/18/85/532861885.db2.gz GIEPZSBZYBFEON-STQMWFEESA-N 1 2 386.543 2.074 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCCS(=O)(=O)C3)n2)C1 ZINC000332826150 532861889 /nfs/dbraw/zinc/86/18/89/532861889.db2.gz GIEPZSBZYBFEON-STQMWFEESA-N 1 2 386.543 2.074 20 0 GEADLO C[C@@]1(O)CCCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333056539 532863289 /nfs/dbraw/zinc/86/32/89/532863289.db2.gz CNSWHZMWPJLPCG-MRXNPFEDSA-N 1 2 399.289 2.059 20 0 GEADLO O=C(NCC1CC[NH+](Cc2cnc(C3OCCO3)s2)CC1)C(F)(F)F ZINC000289796890 532864860 /nfs/dbraw/zinc/86/48/60/532864860.db2.gz SELHJGPQCSQTCG-UHFFFAOYSA-N 1 2 379.404 2.079 20 0 GEADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275149044 532866634 /nfs/dbraw/zinc/86/66/34/532866634.db2.gz XIMBTLCQXGNJDJ-UWVGGRQHSA-N 1 2 378.782 2.062 20 0 GEADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275149044 532866638 /nfs/dbraw/zinc/86/66/38/532866638.db2.gz XIMBTLCQXGNJDJ-UWVGGRQHSA-N 1 2 378.782 2.062 20 0 GEADLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1cccc(I)c1 ZINC000275186323 532868077 /nfs/dbraw/zinc/86/80/77/532868077.db2.gz OCRJPRYWYQUKHB-UWVGGRQHSA-N 1 2 399.236 2.098 20 0 GEADLO CN(C)c1cc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)[nH+]cc1Br ZINC000333693951 532871964 /nfs/dbraw/zinc/87/19/64/532871964.db2.gz QTOAKJWIZATUJP-NEPJUHHUSA-N 1 2 396.289 2.185 20 0 GEADLO Cc1cccc(Cl)c1S(=O)(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000416379752 532873759 /nfs/dbraw/zinc/87/37/59/532873759.db2.gz ZZWDLGLFAAZEFC-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO CC(C)Oc1cc(Br)cc(NC(=O)C(=O)NCc2c[nH+]cn2C)c1 ZINC000290158421 532873980 /nfs/dbraw/zinc/87/39/80/532873980.db2.gz WNEVZQKTFDFUKT-UHFFFAOYSA-N 1 2 395.257 2.225 20 0 GEADLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)CCOCC1CCCC1 ZINC000416385086 532874664 /nfs/dbraw/zinc/87/46/64/532874664.db2.gz JMVXFTIQAUCTTN-UHFFFAOYSA-N 1 2 383.436 2.414 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cc(Cl)ncc1Br)[NH+]1CCOCC1 ZINC000290246834 532876271 /nfs/dbraw/zinc/87/62/71/532876271.db2.gz MRFMZOPWUPJTCE-VHSXEESVSA-N 1 2 376.682 2.337 20 0 GEADLO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000290410648 532879859 /nfs/dbraw/zinc/87/98/59/532879859.db2.gz MNLNUJZEUUOUQK-CQSZACIVSA-N 1 2 382.873 2.095 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000290538730 532883770 /nfs/dbraw/zinc/88/37/70/532883770.db2.gz RRADZWUAODHROT-UHFFFAOYSA-N 1 2 382.814 2.091 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000290538730 532883773 /nfs/dbraw/zinc/88/37/73/532883773.db2.gz RRADZWUAODHROT-UHFFFAOYSA-N 1 2 382.814 2.091 20 0 GEADLO C[C@@H]([NH2+][C@H](C)c1ncn(C)n1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000275655619 532880768 /nfs/dbraw/zinc/88/07/68/532880768.db2.gz OJYJNDZFZKULJI-VXGBXAGGSA-N 1 2 380.290 2.275 20 0 GEADLO CSc1nnc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC000275662455 532881070 /nfs/dbraw/zinc/88/10/70/532881070.db2.gz VUFZEXCAJAJQJJ-LLVKDONJSA-N 1 2 399.567 2.194 20 0 GEADLO Brc1ccn2cc(CN3CCC[C@H]3C[NH+]3CCOCC3)nc2c1 ZINC000290445356 532881350 /nfs/dbraw/zinc/88/13/50/532881350.db2.gz ODYGUMRITOXLRS-INIZCTEOSA-N 1 2 379.302 2.393 20 0 GEADLO O=C(Cc1noc(CCn2cc[nH+]c2)n1)NCc1ccccc1Br ZINC000350982412 532886945 /nfs/dbraw/zinc/88/69/45/532886945.db2.gz JLXVYNARVSOCKM-UHFFFAOYSA-N 1 2 390.241 2.130 20 0 GEADLO CCOc1cc(C[N@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)cc(Cl)c1OC ZINC000290607494 532884863 /nfs/dbraw/zinc/88/48/63/532884863.db2.gz WHLMBDVCYZTVQR-CQSZACIVSA-N 1 2 391.917 2.383 20 0 GEADLO CCOc1cc(C[N@@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)cc(Cl)c1OC ZINC000290607494 532884865 /nfs/dbraw/zinc/88/48/65/532884865.db2.gz WHLMBDVCYZTVQR-CQSZACIVSA-N 1 2 391.917 2.383 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000290787558 532889499 /nfs/dbraw/zinc/88/94/99/532889499.db2.gz CTSLVBDMIYHZKE-VXGBXAGGSA-N 1 2 380.539 2.359 20 0 GEADLO COc1cc(Br)c(CNC(=O)N2CCn3c[nH+]cc3C2)cc1OC ZINC000290871213 532891758 /nfs/dbraw/zinc/89/17/58/532891758.db2.gz CEHCAHLZDNUEDY-UHFFFAOYSA-N 1 2 395.257 2.388 20 0 GEADLO C[C@H](CS(C)(=O)=O)[NH2+]Cc1c(Br)cncc1Br ZINC000290915286 532892516 /nfs/dbraw/zinc/89/25/16/532892516.db2.gz PTVOGVVEHQPRCW-SSDOTTSWSA-N 1 2 386.109 2.129 20 0 GEADLO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000360662821 532890711 /nfs/dbraw/zinc/89/07/11/532890711.db2.gz PANCCGYKYXTKGY-LBPRGKRZSA-N 1 2 381.527 2.495 20 0 GEADLO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000360662821 532890713 /nfs/dbraw/zinc/89/07/13/532890713.db2.gz PANCCGYKYXTKGY-LBPRGKRZSA-N 1 2 381.527 2.495 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000361451715 532893900 /nfs/dbraw/zinc/89/39/00/532893900.db2.gz IQHLTGDAXHAPFK-UHFFFAOYSA-N 1 2 380.432 2.039 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000361451715 532893902 /nfs/dbraw/zinc/89/39/02/532893902.db2.gz IQHLTGDAXHAPFK-UHFFFAOYSA-N 1 2 380.432 2.039 20 0 GEADLO Cc1cc(Br)cn2c(CN3C[C@H](C)S(=O)(=O)[C@@H](C)C3)c[nH+]c12 ZINC000291028193 532895352 /nfs/dbraw/zinc/89/53/52/532895352.db2.gz YGDNUQAMHVHNBL-RYUDHWBXSA-N 1 2 386.315 2.413 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1sccc1Br ZINC000363149773 532897166 /nfs/dbraw/zinc/89/71/66/532897166.db2.gz GCDOVCAAOMQOBC-QWRGUYRKSA-N 1 2 395.344 2.042 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1sccc1Br ZINC000363149773 532897167 /nfs/dbraw/zinc/89/71/67/532897167.db2.gz GCDOVCAAOMQOBC-QWRGUYRKSA-N 1 2 395.344 2.042 20 0 GEADLO O=C(CCOCC(F)(F)C(F)F)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000276557937 532897867 /nfs/dbraw/zinc/89/78/67/532897867.db2.gz BZNRKMRQYCOENZ-UHFFFAOYSA-N 1 2 383.411 2.485 20 0 GEADLO O=C(CCOCC(F)(F)C(F)F)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000276557937 532897869 /nfs/dbraw/zinc/89/78/69/532897869.db2.gz BZNRKMRQYCOENZ-UHFFFAOYSA-N 1 2 383.411 2.485 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H](C)[C@@H]3CO)[nH+]c12 ZINC000276725989 532900202 /nfs/dbraw/zinc/90/02/02/532900202.db2.gz IMOPBFRTXCUGJX-ABAIWWIYSA-N 1 2 395.301 2.360 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000291225061 532898371 /nfs/dbraw/zinc/89/83/71/532898371.db2.gz NEVFRPNIYOGTBR-MRXNPFEDSA-N 1 2 383.279 2.417 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)c1cc2c(s1)CCS(=O)(=O)C2)c1ccccc1 ZINC000363852595 532901805 /nfs/dbraw/zinc/90/18/05/532901805.db2.gz IFPKOJPGCYPOJR-HNNXBMFYSA-N 1 2 378.519 2.252 20 0 GEADLO O=C1C[C@]2(CC[N@@H+](Cc3c(Br)cncc3Br)C2)CN1 ZINC000291446582 532901935 /nfs/dbraw/zinc/90/19/35/532901935.db2.gz CEWDDDLHJQVNTJ-CYBMUJFWSA-N 1 2 389.091 2.319 20 0 GEADLO O=C1C[C@]2(CC[N@H+](Cc3c(Br)cncc3Br)C2)CN1 ZINC000291446582 532901936 /nfs/dbraw/zinc/90/19/36/532901936.db2.gz CEWDDDLHJQVNTJ-CYBMUJFWSA-N 1 2 389.091 2.319 20 0 GEADLO COC(=O)C1CCN(C(=O)C[N@@H+]2CCc3cc(Br)ccc3C2)CC1 ZINC000276768091 532900711 /nfs/dbraw/zinc/90/07/11/532900711.db2.gz HFRVKCWLBGCWKG-UHFFFAOYSA-N 1 2 395.297 2.219 20 0 GEADLO COC(=O)C1CCN(C(=O)C[N@H+]2CCc3cc(Br)ccc3C2)CC1 ZINC000276768091 532900714 /nfs/dbraw/zinc/90/07/14/532900714.db2.gz HFRVKCWLBGCWKG-UHFFFAOYSA-N 1 2 395.297 2.219 20 0 GEADLO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1c[nH+]cn1C ZINC000291481306 532902807 /nfs/dbraw/zinc/90/28/07/532902807.db2.gz QDWDMDNINLHHGY-HNNXBMFYSA-N 1 2 380.901 2.241 20 0 GEADLO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1ccncc1I ZINC000364671868 532907877 /nfs/dbraw/zinc/90/78/77/532907877.db2.gz IZGLPIDZWVVCSH-LLVKDONJSA-N 1 2 396.232 2.217 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cn2ccc(Br)cc2n1 ZINC000291664305 532906652 /nfs/dbraw/zinc/90/66/52/532906652.db2.gz VPHZDBQXQPSYRT-CJNGLKHVSA-N 1 2 379.302 2.392 20 0 GEADLO Cc1ccc(NS(C)(=O)=O)c(NC(=O)C[N@@H+]2CCc3sccc3C2)c1 ZINC000365526791 532910963 /nfs/dbraw/zinc/91/09/63/532910963.db2.gz KNZVTXIIEVPAHU-UHFFFAOYSA-N 1 2 379.507 2.425 20 0 GEADLO CN(C(=O)c1cc(Br)nn1C)C1CCN(c2cccc[nH+]2)CC1 ZINC000365402327 532910601 /nfs/dbraw/zinc/91/06/01/532910601.db2.gz ARMMNPZAHZYEHT-UHFFFAOYSA-N 1 2 378.274 2.319 20 0 GEADLO Cn1nc(Br)cc1C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000365404599 532910685 /nfs/dbraw/zinc/91/06/85/532910685.db2.gz IYURJLGPGRJKTH-UHFFFAOYSA-N 1 2 384.303 2.034 20 0 GEADLO Cc1ccc(NS(C)(=O)=O)c(NC(=O)C[N@H+]2CCc3sccc3C2)c1 ZINC000365526791 532910965 /nfs/dbraw/zinc/91/09/65/532910965.db2.gz KNZVTXIIEVPAHU-UHFFFAOYSA-N 1 2 379.507 2.425 20 0 GEADLO Cc1cnc(Br)c(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000292010929 532911835 /nfs/dbraw/zinc/91/18/35/532911835.db2.gz IPYDJULOLBAJOB-ZDUSSCGKSA-N 1 2 383.290 2.481 20 0 GEADLO C[C@@](O)(C[N@@H+]1CCN2C(=O)NC[C@H]2C1)c1ccc(Br)cc1Cl ZINC000292689165 532917499 /nfs/dbraw/zinc/91/74/99/532917499.db2.gz CITZMQOIEGWTIN-XHDPSFHLSA-N 1 2 388.693 2.019 20 0 GEADLO C[C@@](O)(C[N@H+]1CCN2C(=O)NC[C@H]2C1)c1ccc(Br)cc1Cl ZINC000292689165 532917501 /nfs/dbraw/zinc/91/75/01/532917501.db2.gz CITZMQOIEGWTIN-XHDPSFHLSA-N 1 2 388.693 2.019 20 0 GEADLO C[C@](O)(C[N@@H+]1CCN2C(=O)NC[C@H]2C1)c1ccc(Br)cc1Cl ZINC000292689161 532917680 /nfs/dbraw/zinc/91/76/80/532917680.db2.gz CITZMQOIEGWTIN-NHYWBVRUSA-N 1 2 388.693 2.019 20 0 GEADLO C[C@](O)(C[N@H+]1CCN2C(=O)NC[C@H]2C1)c1ccc(Br)cc1Cl ZINC000292689161 532917681 /nfs/dbraw/zinc/91/76/81/532917681.db2.gz CITZMQOIEGWTIN-NHYWBVRUSA-N 1 2 388.693 2.019 20 0 GEADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000366925785 532921934 /nfs/dbraw/zinc/92/19/34/532921934.db2.gz NHHRDNIDOWJFBH-CYBMUJFWSA-N 1 2 399.925 2.144 20 0 GEADLO C[S@](=O)c1ccc(CC(=O)NC2CC[NH+](Cc3cscn3)CC2)cc1 ZINC000366632601 532919544 /nfs/dbraw/zinc/91/95/44/532919544.db2.gz IKFZSWCIOFPZBU-VWLOTQADSA-N 1 2 377.535 2.204 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000366658474 532919838 /nfs/dbraw/zinc/91/98/38/532919838.db2.gz UFBQNKAANASGJG-CHWSQXEVSA-N 1 2 378.274 2.283 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000366658474 532919839 /nfs/dbraw/zinc/91/98/39/532919839.db2.gz UFBQNKAANASGJG-CHWSQXEVSA-N 1 2 378.274 2.283 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(Br)c4cccnc34)C[C@H]2N1 ZINC000366773571 532920976 /nfs/dbraw/zinc/92/09/76/532920976.db2.gz VITBARZYHYSZLQ-CABCVRRESA-N 1 2 376.254 2.087 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3ccc(Br)c4cccnc34)C[C@H]2N1 ZINC000366773571 532920978 /nfs/dbraw/zinc/92/09/78/532920978.db2.gz VITBARZYHYSZLQ-CABCVRRESA-N 1 2 376.254 2.087 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[NH2+]C[C@H]1C(F)F ZINC000367469408 532925091 /nfs/dbraw/zinc/92/50/91/532925091.db2.gz KBHYNTQCFNGBSV-VIFPVBQESA-N 1 2 389.649 2.330 20 0 GEADLO O=C(NC[C@H](O)c1cccc(Br)c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000367112817 532922604 /nfs/dbraw/zinc/92/26/04/532922604.db2.gz IKOGFYSPBQPIRT-SJORKVTESA-N 1 2 397.313 2.242 20 0 GEADLO O=C(NC[C@H](O)c1cccc(Br)c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000367112817 532922605 /nfs/dbraw/zinc/92/26/05/532922605.db2.gz IKOGFYSPBQPIRT-SJORKVTESA-N 1 2 397.313 2.242 20 0 GEADLO O=C(c1ccc(I)cc1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000367107453 532922784 /nfs/dbraw/zinc/92/27/84/532922784.db2.gz NJJYNXWYEPXPMH-OAHLLOKOSA-N 1 2 393.228 2.473 20 0 GEADLO COCCn1nnc2c1CC[N@H+](Cc1cn3cc(Cl)cc(Cl)c3n1)C2 ZINC000293167135 532922886 /nfs/dbraw/zinc/92/28/86/532922886.db2.gz GDOPCUFVIOJELN-UHFFFAOYSA-N 1 2 381.267 2.437 20 0 GEADLO COCCn1nnc2c1CC[N@@H+](Cc1cn3cc(Cl)cc(Cl)c3n1)C2 ZINC000293167135 532922888 /nfs/dbraw/zinc/92/28/88/532922888.db2.gz GDOPCUFVIOJELN-UHFFFAOYSA-N 1 2 381.267 2.437 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000293268281 532924460 /nfs/dbraw/zinc/92/44/60/532924460.db2.gz JDKPOWFETBYJQW-IUODEOHRSA-N 1 2 376.316 2.239 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000293268281 532924461 /nfs/dbraw/zinc/92/44/61/532924461.db2.gz JDKPOWFETBYJQW-IUODEOHRSA-N 1 2 376.316 2.239 20 0 GEADLO C[NH+]1CCC([N@@H+]2CC[C@@H](N=c3[n-]c(C(Cl)(Cl)Cl)ns3)C2)CC1 ZINC000367429561 532924639 /nfs/dbraw/zinc/92/46/39/532924639.db2.gz JGNKLLUXOSPLIX-SECBINFHSA-N 1 2 384.764 2.367 20 0 GEADLO C[NH+]1CCC([N@H+]2CC[C@@H](N=c3[n-]c(C(Cl)(Cl)Cl)ns3)C2)CC1 ZINC000367429561 532924640 /nfs/dbraw/zinc/92/46/40/532924640.db2.gz JGNKLLUXOSPLIX-SECBINFHSA-N 1 2 384.764 2.367 20 0 GEADLO O=S(=O)(NCCc1cn2c([nH+]1)CCCC2)c1c[nH]c2nccc(Cl)c12 ZINC000367433404 532924946 /nfs/dbraw/zinc/92/49/46/532924946.db2.gz WQCVYLJYUUWTBJ-UHFFFAOYSA-N 1 2 379.873 2.270 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000293420384 532926591 /nfs/dbraw/zinc/92/65/91/532926591.db2.gz SRJBHFNPIANUNI-ABAIWWIYSA-N 1 2 394.306 2.378 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000293420384 532926592 /nfs/dbraw/zinc/92/65/92/532926592.db2.gz SRJBHFNPIANUNI-ABAIWWIYSA-N 1 2 394.306 2.378 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Br)N1CC[NH2+]C[C@H]1C(F)F ZINC000367886197 532928238 /nfs/dbraw/zinc/92/82/38/532928238.db2.gz NRPYOXHWFXBLPF-QMMMGPOBSA-N 1 2 389.649 2.330 20 0 GEADLO CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)s1 ZINC000368023761 532929641 /nfs/dbraw/zinc/92/96/41/532929641.db2.gz UOGIWGVLPCIIOT-OAHLLOKOSA-N 1 2 387.571 2.067 20 0 GEADLO CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)s1 ZINC000368023761 532929643 /nfs/dbraw/zinc/92/96/43/532929643.db2.gz UOGIWGVLPCIIOT-OAHLLOKOSA-N 1 2 387.571 2.067 20 0 GEADLO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368153218 532930447 /nfs/dbraw/zinc/93/04/47/532930447.db2.gz RYAKCYJCDYYSIQ-MRVPVSSYSA-N 1 2 399.195 2.063 20 0 GEADLO O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368153218 532930449 /nfs/dbraw/zinc/93/04/49/532930449.db2.gz RYAKCYJCDYYSIQ-MRVPVSSYSA-N 1 2 399.195 2.063 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[N@@H+]1CC[C@@H](Cc2cccc(Cl)c2)C1 ZINC000368227092 532930889 /nfs/dbraw/zinc/93/08/89/532930889.db2.gz NSALTYCCUBIQRI-HNNXBMFYSA-N 1 2 382.917 2.256 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[N@H+]1CC[C@@H](Cc2cccc(Cl)c2)C1 ZINC000368227092 532930891 /nfs/dbraw/zinc/93/08/91/532930891.db2.gz NSALTYCCUBIQRI-HNNXBMFYSA-N 1 2 382.917 2.256 20 0 GEADLO Cn1nc(Br)cc1NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000294051198 532935273 /nfs/dbraw/zinc/93/52/73/532935273.db2.gz PKOUHJOOWZKTAC-UHFFFAOYSA-N 1 2 379.258 2.267 20 0 GEADLO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)ccc1Cl ZINC000368485528 532932805 /nfs/dbraw/zinc/93/28/05/532932805.db2.gz IZADYEXFMJHGLA-LBPRGKRZSA-N 1 2 395.859 2.306 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368781303 532934382 /nfs/dbraw/zinc/93/43/82/532934382.db2.gz BZBMDWPLGZACCE-SWLSCSKDSA-N 1 2 395.301 2.266 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368781303 532934383 /nfs/dbraw/zinc/93/43/83/532934383.db2.gz BZBMDWPLGZACCE-SWLSCSKDSA-N 1 2 395.301 2.266 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000368802966 532934662 /nfs/dbraw/zinc/93/46/62/532934662.db2.gz ADCFCKGVPXSYOD-GFCCVEGCSA-N 1 2 382.258 2.167 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000368802966 532934663 /nfs/dbraw/zinc/93/46/63/532934663.db2.gz ADCFCKGVPXSYOD-GFCCVEGCSA-N 1 2 382.258 2.167 20 0 GEADLO CCC(=O)N1CSC[C@@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000294157309 532936255 /nfs/dbraw/zinc/93/62/55/532936255.db2.gz BPTFWVHBKLDHSJ-OAHLLOKOSA-N 1 2 378.885 2.453 20 0 GEADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000368976329 532936295 /nfs/dbraw/zinc/93/62/95/532936295.db2.gz VNMPNNHKOOTFIW-PGUXBMHVSA-N 1 2 376.507 2.396 20 0 GEADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000368976329 532936297 /nfs/dbraw/zinc/93/62/97/532936297.db2.gz VNMPNNHKOOTFIW-PGUXBMHVSA-N 1 2 376.507 2.396 20 0 GEADLO CCS(=O)(=O)CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000369339488 532938752 /nfs/dbraw/zinc/93/87/52/532938752.db2.gz XYOYUNLAJZIGGO-GOEBONIOSA-N 1 2 387.933 2.067 20 0 GEADLO CCS(=O)(=O)CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000369339488 532938753 /nfs/dbraw/zinc/93/87/53/532938753.db2.gz XYOYUNLAJZIGGO-GOEBONIOSA-N 1 2 387.933 2.067 20 0 GEADLO O=S(=O)(Nc1cnn(C2CC[NH+](C[C@H]3CCSC3)CC2)c1)C(F)F ZINC000369490749 532939659 /nfs/dbraw/zinc/93/96/59/532939659.db2.gz CHACKNHHDCJAHB-LLVKDONJSA-N 1 2 380.486 2.237 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3[nH+]ccn3C2)c(Cl)cc1Cl ZINC000370337237 532942913 /nfs/dbraw/zinc/94/29/13/532942913.db2.gz IIXNOEQPVYFRBZ-SECBINFHSA-N 1 2 388.276 2.338 20 0 GEADLO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(Cl)s3)C2)C1 ZINC000370353275 532943132 /nfs/dbraw/zinc/94/31/32/532943132.db2.gz KYYODZQHJMWEFC-QWHCGFSZSA-N 1 2 378.947 2.446 20 0 GEADLO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCO[C@@H](c3ccc(Cl)s3)C2)C1 ZINC000370353275 532943133 /nfs/dbraw/zinc/94/31/33/532943133.db2.gz KYYODZQHJMWEFC-QWHCGFSZSA-N 1 2 378.947 2.446 20 0 GEADLO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370490198 532943630 /nfs/dbraw/zinc/94/36/30/532943630.db2.gz GNGXHDVNQGNRKB-LLVKDONJSA-N 1 2 392.257 2.084 20 0 GEADLO COc1ccnc(NC2CC[NH+](Cc3c(Br)c(C)nn3C)CC2)n1 ZINC000370507716 532943759 /nfs/dbraw/zinc/94/37/59/532943759.db2.gz KSTLJOWGJRGUKY-UHFFFAOYSA-N 1 2 395.305 2.366 20 0 GEADLO Cc1cc(N2CCC(NC(=O)c3ccncc3Br)CC2)nc[nH+]1 ZINC000370558218 532944173 /nfs/dbraw/zinc/94/41/73/532944173.db2.gz OFMAQBSIPIKADA-UHFFFAOYSA-N 1 2 376.258 2.341 20 0 GEADLO O=C(Cc1cccc(I)c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371309532 532947522 /nfs/dbraw/zinc/94/75/22/532947522.db2.gz YBQKLKPMTURQNV-GFCCVEGCSA-N 1 2 381.217 2.231 20 0 GEADLO O=C(Cc1cccc(I)c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371309532 532947523 /nfs/dbraw/zinc/94/75/23/532947523.db2.gz YBQKLKPMTURQNV-GFCCVEGCSA-N 1 2 381.217 2.231 20 0 GEADLO COc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)nc1Br ZINC000371594294 532948713 /nfs/dbraw/zinc/94/87/13/532948713.db2.gz TUAPDCXIVFZHEQ-UHFFFAOYSA-N 1 2 379.258 2.358 20 0 GEADLO O=C(C1CC=CC1)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000737781343 598941891 /nfs/dbraw/zinc/94/18/91/598941891.db2.gz AEFVSMCIAZRQES-UHFFFAOYSA-N 1 2 375.436 2.030 20 0 GEADLO O=C(NCCn1cc[nH+]c1)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738094211 598983820 /nfs/dbraw/zinc/98/38/20/598983820.db2.gz DJOVNNCICJKYOB-UHFFFAOYSA-N 1 2 389.419 2.072 20 0 GEADLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736819090 598993839 /nfs/dbraw/zinc/99/38/39/598993839.db2.gz HSXARNURPUEGBP-UHFFFAOYSA-N 1 2 375.429 2.041 20 0 GEADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736819090 598993842 /nfs/dbraw/zinc/99/38/42/598993842.db2.gz HSXARNURPUEGBP-UHFFFAOYSA-N 1 2 375.429 2.041 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000737226338 599007612 /nfs/dbraw/zinc/00/76/12/599007612.db2.gz WIHXOZDTEVPMOI-UHFFFAOYSA-N 1 2 382.405 2.129 20 0 GEADLO O=C(Nc1ccc(Cl)c(-c2nn[nH]n2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738162911 599035534 /nfs/dbraw/zinc/03/55/34/599035534.db2.gz HMDSHSBJSKXHFE-QGZVFWFLSA-N 1 2 398.854 2.360 20 0 GEADLO O=C(Nc1ccc(Cl)c(-c2nn[nH]n2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738162911 599035538 /nfs/dbraw/zinc/03/55/38/599035538.db2.gz HMDSHSBJSKXHFE-QGZVFWFLSA-N 1 2 398.854 2.360 20 0 GEADLO C[N@H+](CCOc1cccc(Cl)c1)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736801270 599067015 /nfs/dbraw/zinc/06/70/15/599067015.db2.gz GVPZVCQCURRWRJ-INIZCTEOSA-N 1 2 386.843 2.057 20 0 GEADLO C[N@@H+](CCOc1cccc(Cl)c1)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736801270 599067018 /nfs/dbraw/zinc/06/70/18/599067018.db2.gz GVPZVCQCURRWRJ-INIZCTEOSA-N 1 2 386.843 2.057 20 0 GEADLO CC(C)OCc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735904389 599088288 /nfs/dbraw/zinc/08/82/88/599088288.db2.gz NUUDTZRKJLCQTC-GOSISDBHSA-N 1 2 380.452 2.108 20 0 GEADLO Cc1ccccc1[C@H](O)CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737421359 599131060 /nfs/dbraw/zinc/13/10/60/599131060.db2.gz MMXFZCWFQLBBFY-HXUWFJFHSA-N 1 2 378.480 2.026 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822449551 607260537 /nfs/dbraw/zinc/26/05/37/607260537.db2.gz DITXCLKDDRHRTD-UHFFFAOYSA-N 1 2 380.412 2.051 20 0 GEADLO CCOCCC1(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000821373618 607274926 /nfs/dbraw/zinc/27/49/26/607274926.db2.gz IUWSHFKWNPZQEC-UHFFFAOYSA-N 1 2 398.511 2.108 20 0 GEADLO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735664661 599288003 /nfs/dbraw/zinc/28/80/03/599288003.db2.gz NEESZUIBWJQFDX-RDJZCZTQSA-N 1 2 394.483 2.012 20 0 GEADLO C[C@@H](c1cccc(NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)c1)[NH+]1CCOCC1 ZINC000736199435 598234446 /nfs/dbraw/zinc/23/44/46/598234446.db2.gz OUDJWCVZOLZIAR-HNNXBMFYSA-N 1 2 392.463 2.441 20 0 GEADLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000736950230 598256217 /nfs/dbraw/zinc/25/62/17/598256217.db2.gz YTAMHKRHECLRDF-UHFFFAOYSA-N 1 2 396.426 2.115 20 0 GEADLO C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736140464 598333180 /nfs/dbraw/zinc/33/31/80/598333180.db2.gz WKWGLMXLAMLCGI-ZIAGYGMSSA-N 1 2 380.456 2.039 20 0 GEADLO C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736140464 598333182 /nfs/dbraw/zinc/33/31/82/598333182.db2.gz WKWGLMXLAMLCGI-ZIAGYGMSSA-N 1 2 380.456 2.039 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)n2)C1 ZINC000736277957 598460056 /nfs/dbraw/zinc/46/00/56/598460056.db2.gz OICHZIBFLOYRBC-LLVKDONJSA-N 1 2 384.469 2.202 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(-c4nn[nH]n4)cn3)n2)C1 ZINC000736277957 598460059 /nfs/dbraw/zinc/46/00/59/598460059.db2.gz OICHZIBFLOYRBC-LLVKDONJSA-N 1 2 384.469 2.202 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@@H](c2ccccc2F)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737842912 598461105 /nfs/dbraw/zinc/46/11/05/598461105.db2.gz FHZKJZQCKVIOOQ-GOSISDBHSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(CC[N@H+]1CCO[C@@H](c2ccccc2F)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737842912 598461106 /nfs/dbraw/zinc/46/11/06/598461106.db2.gz FHZKJZQCKVIOOQ-GOSISDBHSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737844417 598461511 /nfs/dbraw/zinc/46/15/11/598461511.db2.gz UATFAMVBUSRDGA-SFHVURJKSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737844417 598461512 /nfs/dbraw/zinc/46/15/12/598461512.db2.gz UATFAMVBUSRDGA-SFHVURJKSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)Nc1sccc1-c1nn[nH]n1 ZINC000737880073 598615114 /nfs/dbraw/zinc/61/51/14/598615114.db2.gz YGCGFUSFTZEOOB-ZDUSSCGKSA-N 1 2 398.448 2.433 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)Nc1sccc1-c1nn[nH]n1 ZINC000737880073 598615115 /nfs/dbraw/zinc/61/51/15/598615115.db2.gz YGCGFUSFTZEOOB-ZDUSSCGKSA-N 1 2 398.448 2.433 20 0 GEADLO C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736817005 598616167 /nfs/dbraw/zinc/61/61/67/598616167.db2.gz SXRIBQLLJYRPTL-MRXNPFEDSA-N 1 2 396.838 2.284 20 0 GEADLO C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736817005 598616168 /nfs/dbraw/zinc/61/61/68/598616168.db2.gz SXRIBQLLJYRPTL-MRXNPFEDSA-N 1 2 396.838 2.284 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736592126 598617964 /nfs/dbraw/zinc/61/79/64/598617964.db2.gz ZKVXRGNPQCXACM-IBGZPJMESA-N 1 2 395.463 2.352 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736592126 598617965 /nfs/dbraw/zinc/61/79/65/598617965.db2.gz ZKVXRGNPQCXACM-IBGZPJMESA-N 1 2 395.463 2.352 20 0 GEADLO COc1ccc([C@H](CNc2ccc(F)cc2-c2nn[nH]n2)[NH+]2CCOCC2)cc1 ZINC000737077240 598630762 /nfs/dbraw/zinc/63/07/62/598630762.db2.gz URORJOIARFQENH-IBGZPJMESA-N 1 2 398.442 2.500 20 0 GEADLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736705900 598673742 /nfs/dbraw/zinc/67/37/42/598673742.db2.gz QKHIFMLPHJATNO-UHFFFAOYSA-N 1 2 386.891 2.138 20 0 GEADLO Cc1noc(C)c1CN1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000737537291 598761707 /nfs/dbraw/zinc/76/17/07/598761707.db2.gz NFBJVHYQQGNWRB-UHFFFAOYSA-N 1 2 392.467 2.042 20 0 GEADLO C[C@@H](C(=O)OCCOc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1 ZINC000735571254 599367185 /nfs/dbraw/zinc/36/71/85/599367185.db2.gz ASWHFFKHPQXJSJ-HNNXBMFYSA-N 1 2 381.436 2.309 20 0 GEADLO C[C@@H](C(=O)OCCOc1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000735571254 599367188 /nfs/dbraw/zinc/36/71/88/599367188.db2.gz ASWHFFKHPQXJSJ-HNNXBMFYSA-N 1 2 381.436 2.309 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820446357 599374489 /nfs/dbraw/zinc/37/44/89/599374489.db2.gz VEYDDRLYPXJMAB-CYBMUJFWSA-N 1 2 395.448 2.092 20 0 GEADLO NC(Cc1ccccc1)=[NH+]OCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822889911 599385788 /nfs/dbraw/zinc/38/57/88/599385788.db2.gz IFQFQKWJMBTIQU-UHFFFAOYSA-N 1 2 376.380 2.158 20 0 GEADLO c1ccc(C[NH+]2CCN(CCCCNc3cccc(-c4nn[nH]n4)n3)CC2)cc1 ZINC000738432558 599412682 /nfs/dbraw/zinc/41/26/82/599412682.db2.gz JCRICZOVCZTUQL-UHFFFAOYSA-N 1 2 392.511 2.272 20 0 GEADLO O=C1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000823511996 599440688 /nfs/dbraw/zinc/44/06/88/599440688.db2.gz KIDBIAICLTZVFY-ZDUSSCGKSA-N 1 2 392.341 2.374 20 0 GEADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736907023 599444453 /nfs/dbraw/zinc/44/44/53/599444453.db2.gz HOBXQHVCKAXAHO-GOSISDBHSA-N 1 2 376.420 2.466 20 0 GEADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736907023 599444456 /nfs/dbraw/zinc/44/44/56/599444456.db2.gz HOBXQHVCKAXAHO-GOSISDBHSA-N 1 2 376.420 2.466 20 0 GEADLO CCOC(=O)N[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)C1 ZINC000821334553 599480076 /nfs/dbraw/zinc/48/00/76/599480076.db2.gz NVHVZWRRIFBJQF-ZDUSSCGKSA-N 1 2 381.440 2.438 20 0 GEADLO FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000737626117 599484926 /nfs/dbraw/zinc/48/49/26/599484926.db2.gz GHOZAIVVMBAZCF-CYBMUJFWSA-N 1 2 381.362 2.058 20 0 GEADLO FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000737626117 599484928 /nfs/dbraw/zinc/48/49/28/599484928.db2.gz GHOZAIVVMBAZCF-CYBMUJFWSA-N 1 2 381.362 2.058 20 0 GEADLO CCCNC(=O)[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)C1 ZINC000821113663 599505418 /nfs/dbraw/zinc/50/54/18/599505418.db2.gz BQORCVDVKPYNAQ-CQSZACIVSA-N 1 2 379.468 2.466 20 0 GEADLO CCOc1ncnc2c1CN(c1c(-c3nn[nH]n3)c[nH+]c3c(C)cccc31)CC2 ZINC000821440975 599511059 /nfs/dbraw/zinc/51/10/59/599511059.db2.gz FYDRFKKLZKDMSE-UHFFFAOYSA-N 1 2 388.435 2.475 20 0 GEADLO Oc1cccc(C[NH+]2CCN(c3snc(Cl)c3-c3nn[nH]n3)CC2)c1 ZINC000823731859 599515294 /nfs/dbraw/zinc/51/52/94/599515294.db2.gz GCFFZLWIYWESMD-UHFFFAOYSA-N 1 2 377.861 2.004 20 0 GEADLO Cc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)o1 ZINC000822232982 599639505 /nfs/dbraw/zinc/63/95/05/599639505.db2.gz FXGHIKGALOOTKT-INIZCTEOSA-N 1 2 382.424 2.170 20 0 GEADLO Cc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)o1 ZINC000822232982 599639506 /nfs/dbraw/zinc/63/95/06/599639506.db2.gz FXGHIKGALOOTKT-INIZCTEOSA-N 1 2 382.424 2.170 20 0 GEADLO CC[N@@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)C[C@H](O)c1ccc(C)cc1 ZINC000821169714 599644556 /nfs/dbraw/zinc/64/45/56/599644556.db2.gz BNCNFAWEBIMKEN-HNNXBMFYSA-N 1 2 386.481 2.231 20 0 GEADLO CC[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)C[C@H](O)c1ccc(C)cc1 ZINC000821169714 599644557 /nfs/dbraw/zinc/64/45/57/599644557.db2.gz BNCNFAWEBIMKEN-HNNXBMFYSA-N 1 2 386.481 2.231 20 0 GEADLO O=C(Cn1cc[nH+]c1)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(F)c1 ZINC000823123244 599700157 /nfs/dbraw/zinc/70/01/57/599700157.db2.gz UKRABHQAIDYXLY-UHFFFAOYSA-N 1 2 393.382 2.420 20 0 GEADLO CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000737285199 599976048 /nfs/dbraw/zinc/97/60/48/599976048.db2.gz OQDXMGUIACEVQW-KRWDZBQOSA-N 1 2 385.468 2.489 20 0 GEADLO CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000737285199 599976049 /nfs/dbraw/zinc/97/60/49/599976049.db2.gz OQDXMGUIACEVQW-KRWDZBQOSA-N 1 2 385.468 2.489 20 0 GEADLO COc1ccc(CN2CC[NH+](CCOc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826194938 607482900 /nfs/dbraw/zinc/48/29/00/607482900.db2.gz BBAJYUSQPQMTBU-UHFFFAOYSA-N 1 2 394.479 2.072 20 0 GEADLO COc1ccc(C[NH+]2CCN(CCOc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826194938 607482901 /nfs/dbraw/zinc/48/29/01/607482901.db2.gz BBAJYUSQPQMTBU-UHFFFAOYSA-N 1 2 394.479 2.072 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000830923796 601037666 /nfs/dbraw/zinc/03/76/66/601037666.db2.gz RUIOMTWFWKCWFV-UHFFFAOYSA-N 1 2 381.452 2.405 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000830923796 601037669 /nfs/dbraw/zinc/03/76/69/601037669.db2.gz RUIOMTWFWKCWFV-UHFFFAOYSA-N 1 2 381.452 2.405 20 0 GEADLO Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000832852974 601384353 /nfs/dbraw/zinc/38/43/53/601384353.db2.gz OPJOLCOATIONDU-GFCCVEGCSA-N 1 2 387.465 2.161 20 0 GEADLO Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000832852974 601384355 /nfs/dbraw/zinc/38/43/55/601384355.db2.gz OPJOLCOATIONDU-GFCCVEGCSA-N 1 2 387.465 2.161 20 0 GEADLO Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000832852975 601384455 /nfs/dbraw/zinc/38/44/55/601384455.db2.gz OPJOLCOATIONDU-LBPRGKRZSA-N 1 2 387.465 2.161 20 0 GEADLO Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000832852975 601384456 /nfs/dbraw/zinc/38/44/56/601384456.db2.gz OPJOLCOATIONDU-LBPRGKRZSA-N 1 2 387.465 2.161 20 0 GEADLO Cc1ccc(C[NH+]2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)nc1 ZINC000826288143 607522681 /nfs/dbraw/zinc/52/26/81/607522681.db2.gz SQAPQBPFFAODLV-UHFFFAOYSA-N 1 2 386.463 2.441 20 0 GEADLO O=C(OCc1ccccc1)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826466410 607524981 /nfs/dbraw/zinc/52/49/81/607524981.db2.gz AXBMFVNKXWKLRB-UHFFFAOYSA-N 1 2 378.436 2.321 20 0 GEADLO CC[N@H+](Cc1ccc(C(=O)N(C)CC[NH+]2CCN(C(=O)[O-])CC2)cc1)C(C)C ZINC000739439828 602498164 /nfs/dbraw/zinc/49/81/64/602498164.db2.gz OZNSEUITGCZGCK-UHFFFAOYSA-N 1 2 390.528 2.285 20 0 GEADLO CC[N@@H+](Cc1ccc(C(=O)N(C)CC[NH+]2CCN(C(=O)[O-])CC2)cc1)C(C)C ZINC000739439828 602498166 /nfs/dbraw/zinc/49/81/66/602498166.db2.gz OZNSEUITGCZGCK-UHFFFAOYSA-N 1 2 390.528 2.285 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000826246118 607649543 /nfs/dbraw/zinc/64/95/43/607649543.db2.gz SCTAPPGMUCYKCY-UHFFFAOYSA-N 1 2 392.463 2.012 20 0 GEADLO C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000830934482 604369769 /nfs/dbraw/zinc/36/97/69/604369769.db2.gz GRDHHHQNSRYQAY-INIZCTEOSA-N 1 2 387.505 2.338 20 0 GEADLO C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000830934482 604369774 /nfs/dbraw/zinc/36/97/74/604369774.db2.gz GRDHHHQNSRYQAY-INIZCTEOSA-N 1 2 387.505 2.338 20 0 GEADLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000444276138 649944280 /nfs/dbraw/zinc/94/42/80/649944280.db2.gz LOZGMPGDHUHORC-NSHDSACASA-N 1 2 397.360 2.213 20 0 GEADLO O=C([O-])CCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)CC1 ZINC000833773843 605223742 /nfs/dbraw/zinc/22/37/42/605223742.db2.gz TUXFBNVBCRYZRH-HXUWFJFHSA-N 1 2 387.524 2.139 20 0 GEADLO O=C([O-])N1CC[C@@]2(C1)C[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)c1ccccc1O2 ZINC000834082339 605635834 /nfs/dbraw/zinc/63/58/34/605635834.db2.gz DUDFPRCHWNNBSE-HPNQWNLUSA-N 1 2 387.480 2.086 20 0 GEADLO O=C([O-])N1CC[C@@]2(C1)C[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)c1ccccc1O2 ZINC000834082339 605635839 /nfs/dbraw/zinc/63/58/39/605635839.db2.gz DUDFPRCHWNNBSE-HPNQWNLUSA-N 1 2 387.480 2.086 20 0 GEADLO O=C(Nc1nc(-c2cccc(-c3nn[nH]n3)c2)cs1)[C@H]1CCn2cc[nH+]c2C1 ZINC000826459338 607770747 /nfs/dbraw/zinc/77/07/47/607770747.db2.gz GDHNAAOECJFSSJ-ZDUSSCGKSA-N 1 2 392.448 2.388 20 0 GEADLO CCCNc1nnc(S(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)s1 ZINC000445546704 649962192 /nfs/dbraw/zinc/96/21/92/649962192.db2.gz CYCFMPDEXBQESK-UHFFFAOYSA-N 1 2 377.495 2.579 20 0 GEADLO CC(C)S(=O)(=O)CCCS(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445550899 649962675 /nfs/dbraw/zinc/96/26/75/649962675.db2.gz QTAWRXRJNKCFPC-UHFFFAOYSA-N 1 2 384.523 2.060 20 0 GEADLO C[N@@H+]1CCN(CCCNc2ccc(-c3nn[nH]n3)nc2)[C@H](c2ccccc2)C1 ZINC000821626857 606037922 /nfs/dbraw/zinc/03/79/22/606037922.db2.gz BUFKRPBBZUCXGV-IBGZPJMESA-N 1 2 378.484 2.052 20 0 GEADLO C[N@H+]1CCN(CCCNc2ccc(-c3nn[nH]n3)nc2)[C@H](c2ccccc2)C1 ZINC000821626857 606037926 /nfs/dbraw/zinc/03/79/26/606037926.db2.gz BUFKRPBBZUCXGV-IBGZPJMESA-N 1 2 378.484 2.052 20 0 GEADLO COc1ccc(CC(N)=[NH+]OCc2cn3ccccc3c2-c2nn[nH]n2)cc1 ZINC000821790131 606177135 /nfs/dbraw/zinc/17/71/35/606177135.db2.gz IJQZTVKLNKXFSF-UHFFFAOYSA-N 1 2 377.408 2.369 20 0 GEADLO C[C@H](C(=O)OCCOc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000819883555 606225637 /nfs/dbraw/zinc/22/56/37/606225637.db2.gz HVPHODMZYZYEQG-OAHLLOKOSA-N 1 2 381.436 2.309 20 0 GEADLO C[C@H](C(=O)OCCOc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1ccccc1 ZINC000819883555 606225639 /nfs/dbraw/zinc/22/56/39/606225639.db2.gz HVPHODMZYZYEQG-OAHLLOKOSA-N 1 2 381.436 2.309 20 0 GEADLO COc1ccccc1C[N@H+](C)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821898145 606297913 /nfs/dbraw/zinc/29/79/13/606297913.db2.gz NCUUEOMGPCLFRJ-AWEZNQCLSA-N 1 2 384.465 2.174 20 0 GEADLO COc1ccccc1C[N@@H+](C)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821898145 606297914 /nfs/dbraw/zinc/29/79/14/606297914.db2.gz NCUUEOMGPCLFRJ-AWEZNQCLSA-N 1 2 384.465 2.174 20 0 GEADLO O=C1[C@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823505028 606314854 /nfs/dbraw/zinc/31/48/54/606314854.db2.gz XCDJGEIQSDRQJK-GXSJLCMTSA-N 1 2 386.403 2.308 20 0 GEADLO O=C1[C@H]([N@H+]2CCC[C@H](C(F)(F)F)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823505028 606314856 /nfs/dbraw/zinc/31/48/56/606314856.db2.gz XCDJGEIQSDRQJK-GXSJLCMTSA-N 1 2 386.403 2.308 20 0 GEADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000821652297 606317840 /nfs/dbraw/zinc/31/78/40/606317840.db2.gz PKIQOWCTPPBQBJ-SJLPKXTDSA-N 1 2 393.451 2.059 20 0 GEADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000821652297 606317841 /nfs/dbraw/zinc/31/78/41/606317841.db2.gz PKIQOWCTPPBQBJ-SJLPKXTDSA-N 1 2 393.451 2.059 20 0 GEADLO Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000822477009 606356121 /nfs/dbraw/zinc/35/61/21/606356121.db2.gz CPWJZWRJAJZEAL-UHFFFAOYSA-N 1 2 393.386 2.217 20 0 GEADLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)ccc2n1C ZINC000822154594 606359819 /nfs/dbraw/zinc/35/98/19/606359819.db2.gz YCBKHMVGRNTYNQ-UHFFFAOYSA-N 1 2 383.437 2.171 20 0 GEADLO FC(F)(F)[C@@H]1CCCn2c(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)nnc21 ZINC000822714850 606424448 /nfs/dbraw/zinc/42/44/48/606424448.db2.gz VDOXZOYUCILFSO-SECBINFHSA-N 1 2 384.391 2.249 20 0 GEADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821169961 606490839 /nfs/dbraw/zinc/49/08/39/606490839.db2.gz JRKNYZGHDVHEQD-AWEZNQCLSA-N 1 2 394.426 2.301 20 0 GEADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821169961 606490841 /nfs/dbraw/zinc/49/08/41/606490841.db2.gz JRKNYZGHDVHEQD-AWEZNQCLSA-N 1 2 394.426 2.301 20 0 GEADLO O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000823459519 606665111 /nfs/dbraw/zinc/66/51/11/606665111.db2.gz AFHIRCIVDAJTOX-UHFFFAOYSA-N 1 2 398.417 2.145 20 0 GEADLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c(OCC2CC2)c1 ZINC000822238744 606713120 /nfs/dbraw/zinc/71/31/20/606713120.db2.gz SJNRQXDSUZCKLQ-LJQANCHMSA-N 1 2 392.463 2.280 20 0 GEADLO CCc1ccc(CN2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000821486600 606862219 /nfs/dbraw/zinc/86/22/19/606862219.db2.gz IASXEWTUTUMIKZ-LJQANCHMSA-N 1 2 398.536 2.342 20 0 GEADLO CCc1nnc(N2CC[C@H](CNc3cccc[nH+]3)C2)c(-c2nn[nH]n2)c1CC ZINC000821523416 606927386 /nfs/dbraw/zinc/92/73/86/606927386.db2.gz VMFNFTWOPHREAG-CYBMUJFWSA-N 1 2 379.472 2.115 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@@H](c2ccsc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822968843 606982756 /nfs/dbraw/zinc/98/27/56/606982756.db2.gz BSMQVRWAKKAYOV-MRXNPFEDSA-N 1 2 384.465 2.330 20 0 GEADLO O=C(CC[N@H+]1CCO[C@@H](c2ccsc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822968843 606982758 /nfs/dbraw/zinc/98/27/58/606982758.db2.gz BSMQVRWAKKAYOV-MRXNPFEDSA-N 1 2 384.465 2.330 20 0 GEADLO CC(C)CO[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000820096670 607089641 /nfs/dbraw/zinc/08/96/41/607089641.db2.gz FCHFSTXDLIRQGL-ZDUSSCGKSA-N 1 2 378.864 2.206 20 0 GEADLO CC(C)CO[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000820096670 607089643 /nfs/dbraw/zinc/08/96/43/607089643.db2.gz FCHFSTXDLIRQGL-ZDUSSCGKSA-N 1 2 378.864 2.206 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000821763484 607094598 /nfs/dbraw/zinc/09/45/98/607094598.db2.gz ZTBBHPYETYYPCS-DOMZBBRYSA-N 1 2 382.428 2.187 20 0 GEADLO Cc1cccc(C[NH+]2CCN(C(=O)c3ncc(-c4nn[nH]n4)cc3Cl)CC2)c1 ZINC000822303827 607231608 /nfs/dbraw/zinc/23/16/08/607231608.db2.gz LBMGUIHUGRTHCL-UHFFFAOYSA-N 1 2 397.870 2.182 20 0 GEADLO CN(CCN1C(=O)c2ccccc2C1=O)c1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000825937950 607820594 /nfs/dbraw/zinc/82/05/94/607820594.db2.gz KXNLOKSSMOAALN-UHFFFAOYSA-N 1 2 399.414 2.147 20 0 GEADLO CC[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)Cc1ccc(C)cc1 ZINC000825424762 607828152 /nfs/dbraw/zinc/82/81/52/607828152.db2.gz PSSSIHATHHEOSR-UHFFFAOYSA-N 1 2 385.493 2.471 20 0 GEADLO CC[N@@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)Cc1ccc(C)cc1 ZINC000825424762 607828153 /nfs/dbraw/zinc/82/81/53/607828153.db2.gz PSSSIHATHHEOSR-UHFFFAOYSA-N 1 2 385.493 2.471 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484917 607828345 /nfs/dbraw/zinc/82/83/45/607828345.db2.gz ULQFXLPHXKGLEE-UHFFFAOYSA-N 1 2 383.477 2.089 20 0 GEADLO O=S(=O)(CC[N@H+]1CCCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484917 607828346 /nfs/dbraw/zinc/82/83/46/607828346.db2.gz ULQFXLPHXKGLEE-UHFFFAOYSA-N 1 2 383.477 2.089 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826028781 607855618 /nfs/dbraw/zinc/85/56/18/607855618.db2.gz HYZKKMMJSYLAAA-SWLSCSKDSA-N 1 2 389.822 2.163 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826028781 607855619 /nfs/dbraw/zinc/85/56/19/607855619.db2.gz HYZKKMMJSYLAAA-SWLSCSKDSA-N 1 2 389.822 2.163 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826182560 607991879 /nfs/dbraw/zinc/99/18/79/607991879.db2.gz NOYIEADSQCDQOD-RHSMWYFYSA-N 1 2 387.390 2.461 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826182560 607991880 /nfs/dbraw/zinc/99/18/80/607991880.db2.gz NOYIEADSQCDQOD-RHSMWYFYSA-N 1 2 387.390 2.461 20 0 GEADLO Cc1nc(C[NH+]2CCC(C(=O)Nc3cc(-c4nn[nH]n4)ccc3O)CC2)cs1 ZINC000826326049 607997333 /nfs/dbraw/zinc/99/73/33/607997333.db2.gz XFDXLNQVKSTPGL-UHFFFAOYSA-N 1 2 399.480 2.188 20 0 GEADLO CCc1onc(C)c1NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825775951 608009085 /nfs/dbraw/zinc/00/90/85/608009085.db2.gz AJIIPOFZWOMDGQ-UHFFFAOYSA-N 1 2 396.455 2.075 20 0 GEADLO COc1ccc(OCC[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826211542 608068902 /nfs/dbraw/zinc/06/89/02/608068902.db2.gz JCCWDQUBXCIHAX-IBGZPJMESA-N 1 2 381.436 2.328 20 0 GEADLO COc1ccc(OCC[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826211542 608068903 /nfs/dbraw/zinc/06/89/03/608068903.db2.gz JCCWDQUBXCIHAX-IBGZPJMESA-N 1 2 381.436 2.328 20 0 GEADLO c1ccc(OCCOCC[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826522634 608072164 /nfs/dbraw/zinc/07/21/64/608072164.db2.gz IMXGPMNRQFLXLQ-FQEVSTJZSA-N 1 2 395.463 2.336 20 0 GEADLO c1ccc(OCCOCC[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826522634 608072165 /nfs/dbraw/zinc/07/21/65/608072165.db2.gz IMXGPMNRQFLXLQ-FQEVSTJZSA-N 1 2 395.463 2.336 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028510 608121409 /nfs/dbraw/zinc/12/14/09/608121409.db2.gz BLQCXSKDLOBNOP-HKUYNNGSSA-N 1 2 398.417 2.249 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028510 608121410 /nfs/dbraw/zinc/12/14/10/608121410.db2.gz BLQCXSKDLOBNOP-HKUYNNGSSA-N 1 2 398.417 2.249 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+](C)C[C@@H](C)c2nccs2)c(-c2nn[nH]n2)c1C ZINC000826341964 608133432 /nfs/dbraw/zinc/13/34/32/608133432.db2.gz UUKZWDHNHGUZGF-SECBINFHSA-N 1 2 375.458 2.207 20 0 GEADLO Cc1oc(NC(=O)C[N@H+](C)C[C@@H](C)c2nccs2)c(-c2nn[nH]n2)c1C ZINC000826341964 608133433 /nfs/dbraw/zinc/13/34/33/608133433.db2.gz UUKZWDHNHGUZGF-SECBINFHSA-N 1 2 375.458 2.207 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000824420424 608142383 /nfs/dbraw/zinc/14/23/83/608142383.db2.gz JUYFXLDQDRJCDN-HNNXBMFYSA-N 1 2 393.447 2.411 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ccc(-c3nn[nH]n3)cn2)c2ccc(Cl)cc2)C1 ZINC000826044613 608235134 /nfs/dbraw/zinc/23/51/34/608235134.db2.gz IGBPZXGPAILDTM-WBVHZDCISA-N 1 2 385.859 2.399 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ccc(-c3nn[nH]n3)cn2)c2ccc(Cl)cc2)C1 ZINC000826044613 608235136 /nfs/dbraw/zinc/23/51/36/608235136.db2.gz IGBPZXGPAILDTM-WBVHZDCISA-N 1 2 385.859 2.399 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1-c1nn[nH]n1 ZINC000826194354 608258422 /nfs/dbraw/zinc/25/84/22/608258422.db2.gz KAHCJMNDTKVTPJ-CQSZACIVSA-N 1 2 380.456 2.250 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1-c1nn[nH]n1 ZINC000826194354 608258423 /nfs/dbraw/zinc/25/84/23/608258423.db2.gz KAHCJMNDTKVTPJ-CQSZACIVSA-N 1 2 380.456 2.250 20 0 GEADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826321859 608259043 /nfs/dbraw/zinc/25/90/43/608259043.db2.gz SBIMMPKFMXNKEG-KRWDZBQOSA-N 1 2 383.456 2.049 20 0 GEADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826321859 608259045 /nfs/dbraw/zinc/25/90/45/608259045.db2.gz SBIMMPKFMXNKEG-KRWDZBQOSA-N 1 2 383.456 2.049 20 0 GEADLO O[C@H](CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(Cl)cc1 ZINC000826510870 608385488 /nfs/dbraw/zinc/38/54/88/608385488.db2.gz OPYUULNXCAQIMF-LJQANCHMSA-N 1 2 398.898 2.371 20 0 GEADLO O[C@H](C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(Cl)cc1 ZINC000826510870 608385490 /nfs/dbraw/zinc/38/54/90/608385490.db2.gz OPYUULNXCAQIMF-LJQANCHMSA-N 1 2 398.898 2.371 20 0 GEADLO COC(=O)C1([NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCCCCC1 ZINC000826124101 608458624 /nfs/dbraw/zinc/45/86/24/608458624.db2.gz OKPMFNPYBYYDCP-UHFFFAOYSA-N 1 2 386.456 2.051 20 0 GEADLO Cc1cc(NC(=O)NCCSCc2ccccc2-c2nn[nH]n2)c(C)c[nH+]1 ZINC000826270414 608477213 /nfs/dbraw/zinc/47/72/13/608477213.db2.gz ZFJKBFMINZUTGJ-UHFFFAOYSA-N 1 2 383.481 2.355 20 0 GEADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826296580 608493067 /nfs/dbraw/zinc/49/30/67/608493067.db2.gz BLYAGHSXBLCIOK-AWEZNQCLSA-N 1 2 375.440 2.310 20 0 GEADLO c1cc(-c2nn[nH]n2)oc1CN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000826525708 608512672 /nfs/dbraw/zinc/51/26/72/608512672.db2.gz WJEKKRZQIUEWCI-UHFFFAOYSA-N 1 2 375.436 2.326 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3nc(-c4nn[nH]n4)ccc3C)CC2)cc1F ZINC000826195148 608541005 /nfs/dbraw/zinc/54/10/05/608541005.db2.gz JMLSHDIDWYEJJV-UHFFFAOYSA-N 1 2 383.431 2.040 20 0 GEADLO Cc1ccc([C@H](CNc2nc(-c3nn[nH]n3)ccc2C)[NH+]2CCOCC2)s1 ZINC000826284374 608544888 /nfs/dbraw/zinc/54/48/88/608544888.db2.gz RVDSIKSAXKDNTP-HNNXBMFYSA-N 1 2 385.497 2.425 20 0 GEADLO c1coc(-c2nc(-c3nn[nH]n3)c(N3CC[NH+](Cc4ccsc4)CC3)o2)c1 ZINC000826526080 608549600 /nfs/dbraw/zinc/54/96/00/608549600.db2.gz KGEIQDDHNRTUBK-UHFFFAOYSA-N 1 2 383.437 2.498 20 0 GEADLO Clc1ccc2nc(CN3CC[NH+](Cc4ccc(-c5nn[nH]n5)o4)CC3)cn2c1 ZINC000826352634 608637003 /nfs/dbraw/zinc/63/70/03/608637003.db2.gz IJIXHYKOKUZVRC-UHFFFAOYSA-N 1 2 398.858 2.079 20 0 GEADLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825006295 608674048 /nfs/dbraw/zinc/67/40/48/608674048.db2.gz IJKIMLBJPBCJAX-KSSFIOAISA-N 1 2 375.436 2.476 20 0 GEADLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825006295 608674049 /nfs/dbraw/zinc/67/40/49/608674049.db2.gz IJKIMLBJPBCJAX-KSSFIOAISA-N 1 2 375.436 2.476 20 0 GEADLO Cc1cccc2ncc(C[N@@H+]3CCO[C@H](c4cccc(-c5nn[nH]n5)c4)C3)n21 ZINC000826305155 608854274 /nfs/dbraw/zinc/85/42/74/608854274.db2.gz MUMUOBOMFQRCRW-SFHVURJKSA-N 1 2 375.436 2.396 20 0 GEADLO Cc1cccc2ncc(C[N@H+]3CCO[C@H](c4cccc(-c5nn[nH]n5)c4)C3)n21 ZINC000826305155 608854276 /nfs/dbraw/zinc/85/42/76/608854276.db2.gz MUMUOBOMFQRCRW-SFHVURJKSA-N 1 2 375.436 2.396 20 0 GEADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c(C)c1 ZINC000826284595 609228828 /nfs/dbraw/zinc/22/88/28/609228828.db2.gz YLFDUKVFQJZRCZ-KRWDZBQOSA-N 1 2 376.424 2.179 20 0 GEADLO FC(F)O[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000826369423 609298019 /nfs/dbraw/zinc/29/80/19/609298019.db2.gz BODPNDROGGGOQS-GFCCVEGCSA-N 1 2 377.355 2.120 20 0 GEADLO FC(F)O[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000826369423 609298020 /nfs/dbraw/zinc/29/80/20/609298020.db2.gz BODPNDROGGGOQS-GFCCVEGCSA-N 1 2 377.355 2.120 20 0 GEADLO O=C([C@H](F)Cc1ccccc1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826397286 609365113 /nfs/dbraw/zinc/36/51/13/609365113.db2.gz ZSYJMVDQIIATPB-LJQANCHMSA-N 1 2 394.454 2.092 20 0 GEADLO CC(=O)c1ccc(-c2nn[nH]n2)cc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000824019780 609421609 /nfs/dbraw/zinc/42/16/09/609421609.db2.gz ODSHSJIKMNGILI-UHFFFAOYSA-N 1 2 378.436 2.097 20 0 GEADLO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)c1nc(C)[nH+]c2c1CCCC2 ZINC000826159017 609437201 /nfs/dbraw/zinc/43/72/01/609437201.db2.gz MYCJOEBJMRVCGK-UHFFFAOYSA-N 1 2 379.468 2.497 20 0 GEADLO CCc1[nH]nc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1Br ZINC000447550384 650007324 /nfs/dbraw/zinc/00/73/24/650007324.db2.gz HMJZOKKMGHMIGH-GFCCVEGCSA-N 1 2 385.306 2.062 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccnc3c(Br)cccc23)CC1 ZINC000449025997 650030151 /nfs/dbraw/zinc/03/01/51/650030151.db2.gz DDFJEFTYLWTOIG-UHFFFAOYSA-N 1 2 391.313 2.379 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cccc(F)c3Br)C2)nn1 ZINC000449241918 650035697 /nfs/dbraw/zinc/03/56/97/650035697.db2.gz DAVMJUPVAKZPLN-NSHDSACASA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cccc(F)c3Br)C2)nn1 ZINC000449241918 650035701 /nfs/dbraw/zinc/03/57/01/650035701.db2.gz DAVMJUPVAKZPLN-NSHDSACASA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cccc(F)c3Br)C2)nn1 ZINC000449241917 650035772 /nfs/dbraw/zinc/03/57/72/650035772.db2.gz DAVMJUPVAKZPLN-LLVKDONJSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cccc(F)c3Br)C2)nn1 ZINC000449241917 650035774 /nfs/dbraw/zinc/03/57/74/650035774.db2.gz DAVMJUPVAKZPLN-LLVKDONJSA-N 1 2 383.221 2.413 20 0 GEADLO CCOC(=O)[C@@H]1C[N@H+](Cc2cnc3ccc(Br)cn23)CC12COC2 ZINC000449360261 650038810 /nfs/dbraw/zinc/03/88/10/650038810.db2.gz HVFWFBOGXYVGHJ-AWEZNQCLSA-N 1 2 394.269 2.108 20 0 GEADLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cnc3ccc(Br)cn23)CC12COC2 ZINC000449360261 650038814 /nfs/dbraw/zinc/03/88/14/650038814.db2.gz HVFWFBOGXYVGHJ-AWEZNQCLSA-N 1 2 394.269 2.108 20 0 GEADLO COC[C@@H](Cc1ccccc1)[NH2+]Cc1nn(C)cc1I ZINC000449607748 650044379 /nfs/dbraw/zinc/04/43/79/650044379.db2.gz ZBVOAJYJQIQPDM-CYBMUJFWSA-N 1 2 385.249 2.372 20 0 GEADLO CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000450223367 650062268 /nfs/dbraw/zinc/06/22/68/650062268.db2.gz LNAVLBWIBNKCLU-GFCCVEGCSA-N 1 2 381.325 2.461 20 0 GEADLO O=S(=O)(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1sccc1Cl ZINC000451358080 650106814 /nfs/dbraw/zinc/10/68/14/650106814.db2.gz ZSEXCAOFFWXYJU-KBPBESRZSA-N 1 2 386.926 2.315 20 0 GEADLO O=S(=O)(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1sccc1Cl ZINC000451358080 650106816 /nfs/dbraw/zinc/10/68/16/650106816.db2.gz ZSEXCAOFFWXYJU-KBPBESRZSA-N 1 2 386.926 2.315 20 0 GEADLO CN(C)c1nc(N)nc(C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)n1 ZINC000451564268 650125816 /nfs/dbraw/zinc/12/58/16/650125816.db2.gz FZBVUIXEJYSNGW-LBPRGKRZSA-N 1 2 377.290 2.272 20 0 GEADLO CN(C)c1nc(N)nc(C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)n1 ZINC000451564268 650125818 /nfs/dbraw/zinc/12/58/18/650125818.db2.gz FZBVUIXEJYSNGW-LBPRGKRZSA-N 1 2 377.290 2.272 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCOc1ccc(Cl)c(Cl)c1 ZINC000451684236 650132907 /nfs/dbraw/zinc/13/29/07/650132907.db2.gz USEGTYSTHIDWQE-UHFFFAOYSA-N 1 2 397.324 2.014 20 0 GEADLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1nc(C2CC2)cs1 ZINC000451981445 650160867 /nfs/dbraw/zinc/16/08/67/650160867.db2.gz FVDKSYLSBJLNJO-UHFFFAOYSA-N 1 2 385.486 2.318 20 0 GEADLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1nc(C2CC2)cs1 ZINC000451981445 650160870 /nfs/dbraw/zinc/16/08/70/650160870.db2.gz FVDKSYLSBJLNJO-UHFFFAOYSA-N 1 2 385.486 2.318 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000454430747 650266314 /nfs/dbraw/zinc/26/63/14/650266314.db2.gz IPTCACVLRNGGSB-HOCLYGCPSA-N 1 2 382.302 2.279 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000454430747 650266316 /nfs/dbraw/zinc/26/63/16/650266316.db2.gz IPTCACVLRNGGSB-HOCLYGCPSA-N 1 2 382.302 2.279 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000454430746 650266399 /nfs/dbraw/zinc/26/63/99/650266399.db2.gz IPTCACVLRNGGSB-GOEBONIOSA-N 1 2 382.302 2.279 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000454430746 650266405 /nfs/dbraw/zinc/26/64/05/650266405.db2.gz IPTCACVLRNGGSB-GOEBONIOSA-N 1 2 382.302 2.279 20 0 GEADLO COc1cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc(OC)c1Br ZINC000456215660 650334188 /nfs/dbraw/zinc/33/41/88/650334188.db2.gz MQLCCWBSNMUZDU-BETUJISGSA-N 1 2 399.285 2.059 20 0 GEADLO COc1cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc(OC)c1Br ZINC000456215660 650334190 /nfs/dbraw/zinc/33/41/90/650334190.db2.gz MQLCCWBSNMUZDU-BETUJISGSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@@H](CNC(=O)N1CCC[C@H]1c1ccc(Br)cn1)[NH+]1CCOCC1 ZINC000457694336 650382963 /nfs/dbraw/zinc/38/29/63/650382963.db2.gz RHIJNOBUKHWBHH-BBRMVZONSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@H]1C[N@H+](CCN(C)Cc2cn(-c3cccc(Br)c3)nn2)CCO1 ZINC000501850948 650398224 /nfs/dbraw/zinc/39/82/24/650398224.db2.gz LNIYJEBBTDABKW-AWEZNQCLSA-N 1 2 394.317 2.182 20 0 GEADLO C[C@H]1C[N@@H+](CCN(C)Cc2cn(-c3cccc(Br)c3)nn2)CCO1 ZINC000501850948 650398225 /nfs/dbraw/zinc/39/82/25/650398225.db2.gz LNIYJEBBTDABKW-AWEZNQCLSA-N 1 2 394.317 2.182 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000502167703 650402388 /nfs/dbraw/zinc/40/23/88/650402388.db2.gz BNVZCSHMMCBKNR-HNNXBMFYSA-N 1 2 380.491 2.088 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000502167703 650402390 /nfs/dbraw/zinc/40/23/90/650402390.db2.gz BNVZCSHMMCBKNR-HNNXBMFYSA-N 1 2 380.491 2.088 20 0 GEADLO CC[N@H+](CCOCCO)Cc1c(F)ccc(I)c1F ZINC000502340994 650405215 /nfs/dbraw/zinc/40/52/15/650405215.db2.gz NCVMNYTVSVBSBR-UHFFFAOYSA-N 1 2 385.192 2.400 20 0 GEADLO CC[N@@H+](CCOCCO)Cc1c(F)ccc(I)c1F ZINC000502340994 650405216 /nfs/dbraw/zinc/40/52/16/650405216.db2.gz NCVMNYTVSVBSBR-UHFFFAOYSA-N 1 2 385.192 2.400 20 0 GEADLO Cc1cc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1Br ZINC000459189734 650420741 /nfs/dbraw/zinc/42/07/41/650420741.db2.gz WMQJIRFSWKGPBL-JKSUJKDBSA-N 1 2 382.302 2.372 20 0 GEADLO Cc1cc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1Br ZINC000459189734 650420742 /nfs/dbraw/zinc/42/07/42/650420742.db2.gz WMQJIRFSWKGPBL-JKSUJKDBSA-N 1 2 382.302 2.372 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000503703214 650421727 /nfs/dbraw/zinc/42/17/27/650421727.db2.gz KGFLDLYVTQSCPU-UWVGGRQHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000503703214 650421728 /nfs/dbraw/zinc/42/17/28/650421728.db2.gz KGFLDLYVTQSCPU-UWVGGRQHSA-N 1 2 395.294 2.310 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1cccc(O)c1Br)NCc1ccccc1 ZINC000459382505 650423485 /nfs/dbraw/zinc/42/34/85/650423485.db2.gz FOFAGTKBASTKRZ-UHFFFAOYSA-N 1 2 399.310 2.364 20 0 GEADLO CCOc1cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc(Br)c1OC(F)F ZINC000459705818 650430150 /nfs/dbraw/zinc/43/01/50/650430150.db2.gz NGCHAMQHHNLVIC-PWSUYJOCSA-N 1 2 396.228 2.234 20 0 GEADLO CCOc1cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)cc(Br)c1OC(F)F ZINC000459705818 650430153 /nfs/dbraw/zinc/43/01/53/650430153.db2.gz NGCHAMQHHNLVIC-PWSUYJOCSA-N 1 2 396.228 2.234 20 0 GEADLO COc1cc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc(Cl)c1OC ZINC000507167643 650454785 /nfs/dbraw/zinc/45/47/85/650454785.db2.gz NENFEFBVKRKFFM-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO COc1cc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc(Cl)c1OC ZINC000507167643 650454788 /nfs/dbraw/zinc/45/47/88/650454788.db2.gz NENFEFBVKRKFFM-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000507986347 650472059 /nfs/dbraw/zinc/47/20/59/650472059.db2.gz SMKVNQNWXDOIMG-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000507986347 650472063 /nfs/dbraw/zinc/47/20/63/650472063.db2.gz SMKVNQNWXDOIMG-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000509503609 650494662 /nfs/dbraw/zinc/49/46/62/650494662.db2.gz CKMMTQNBJXYCBP-UHFFFAOYSA-N 1 2 376.214 2.471 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)NCc1noc(-c2cccc(Br)c2)n1 ZINC000509503609 650494663 /nfs/dbraw/zinc/49/46/63/650494663.db2.gz CKMMTQNBJXYCBP-UHFFFAOYSA-N 1 2 376.214 2.471 20 0 GEADLO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000509682228 650498858 /nfs/dbraw/zinc/49/88/58/650498858.db2.gz FRHPRQUEYZWSOD-CQSZACIVSA-N 1 2 391.331 2.486 20 0 GEADLO COc1ccc(Br)cc1[C@H]1CCC[N@H+]1CCS(=O)(=O)N(C)C ZINC000509682228 650498860 /nfs/dbraw/zinc/49/88/60/650498860.db2.gz FRHPRQUEYZWSOD-CQSZACIVSA-N 1 2 391.331 2.486 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000469424145 650510086 /nfs/dbraw/zinc/51/00/86/650510086.db2.gz JPMUZORULLBIFO-GFCCVEGCSA-N 1 2 391.269 2.464 20 0 GEADLO CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000510814043 650519747 /nfs/dbraw/zinc/51/97/47/650519747.db2.gz OZGVSKCVTNIARY-ABAIWWIYSA-N 1 2 384.889 2.428 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)[C@@H](C)C1 ZINC000511273979 650531519 /nfs/dbraw/zinc/53/15/19/650531519.db2.gz YPCIHCLSNLJIOK-VIFPVBQESA-N 1 2 383.258 2.442 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)[C@@H](C)C1 ZINC000511273979 650531522 /nfs/dbraw/zinc/53/15/22/650531522.db2.gz YPCIHCLSNLJIOK-VIFPVBQESA-N 1 2 383.258 2.442 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](C)c2ccc(Br)cn2)CCO1 ZINC000475241712 650530022 /nfs/dbraw/zinc/53/00/22/650530022.db2.gz FKTYPRWKHYWDHO-JSGCOSHPSA-N 1 2 385.306 2.315 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](C)c2ccc(Br)cn2)CCO1 ZINC000475241712 650530024 /nfs/dbraw/zinc/53/00/24/650530024.db2.gz FKTYPRWKHYWDHO-JSGCOSHPSA-N 1 2 385.306 2.315 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)Cc2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000511243085 650530262 /nfs/dbraw/zinc/53/02/62/650530262.db2.gz VMCPCUZGUDCTGI-LBPRGKRZSA-N 1 2 391.331 2.314 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)Cc2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000511243085 650530265 /nfs/dbraw/zinc/53/02/65/650530265.db2.gz VMCPCUZGUDCTGI-LBPRGKRZSA-N 1 2 391.331 2.314 20 0 GEADLO COCCC(=O)N1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000475683950 650536331 /nfs/dbraw/zinc/53/63/31/650536331.db2.gz IBLHGFMKFNPNAB-UHFFFAOYSA-N 1 2 389.265 2.148 20 0 GEADLO Cn1[nH]c(C[NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)nc1=O ZINC000475728188 650536696 /nfs/dbraw/zinc/53/66/96/650536696.db2.gz JXWFRPQQKDZULG-HNNXBMFYSA-N 1 2 388.269 2.340 20 0 GEADLO O=S(=O)(CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)c1ccc(F)cc1 ZINC000511629153 650539933 /nfs/dbraw/zinc/53/99/33/650539933.db2.gz OTWPGQSEZOLQIK-DOMZBBRYSA-N 1 2 383.407 2.482 20 0 GEADLO O=S(=O)(CCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)c1ccc(F)cc1 ZINC000511629153 650539935 /nfs/dbraw/zinc/53/99/35/650539935.db2.gz OTWPGQSEZOLQIK-DOMZBBRYSA-N 1 2 383.407 2.482 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000511684488 650540885 /nfs/dbraw/zinc/54/08/85/650540885.db2.gz CPLSPJWXURXTOA-MRVPVSSYSA-N 1 2 387.184 2.067 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F ZINC000476154203 650545299 /nfs/dbraw/zinc/54/52/99/650545299.db2.gz MLEPBNGYAKZVKG-UHFFFAOYSA-N 1 2 386.836 2.214 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)Nc1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F ZINC000476154203 650545303 /nfs/dbraw/zinc/54/53/03/650545303.db2.gz MLEPBNGYAKZVKG-UHFFFAOYSA-N 1 2 386.836 2.214 20 0 GEADLO COc1ccc(Cl)cc1CS(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000513081106 650557724 /nfs/dbraw/zinc/55/77/24/650557724.db2.gz PPAJGJJLLCSSFD-HNNXBMFYSA-N 1 2 381.885 2.442 20 0 GEADLO CCC(CC)(NC(=O)C1C[NH+](Cc2cc(Br)cs2)C1)C(N)=O ZINC000513246943 650560330 /nfs/dbraw/zinc/56/03/30/650560330.db2.gz GOWREKPVCHDIOJ-UHFFFAOYSA-N 1 2 388.331 2.103 20 0 GEADLO Cc1nc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)no1 ZINC000513536985 650564468 /nfs/dbraw/zinc/56/44/68/650564468.db2.gz RPWCZFACTZJOGM-UHFFFAOYSA-N 1 2 380.202 2.273 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000513968211 650572340 /nfs/dbraw/zinc/57/23/40/650572340.db2.gz YKWASNXHRBMNHI-CQSZACIVSA-N 1 2 377.457 2.423 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000513968210 650572188 /nfs/dbraw/zinc/57/21/88/650572188.db2.gz YKWASNXHRBMNHI-AWEZNQCLSA-N 1 2 377.457 2.423 20 0 GEADLO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000515206849 650589508 /nfs/dbraw/zinc/58/95/08/650589508.db2.gz UOGHEIBSAHKGFY-NSHDSACASA-N 1 2 375.372 2.204 20 0 GEADLO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC[S@@](=O)C1 ZINC000516730668 650601102 /nfs/dbraw/zinc/60/11/02/650601102.db2.gz LJBWSTMUCYAWTA-KDSLSZQZSA-N 1 2 383.945 2.495 20 0 GEADLO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC[S@@](=O)C1 ZINC000516730668 650601105 /nfs/dbraw/zinc/60/11/05/650601105.db2.gz LJBWSTMUCYAWTA-KDSLSZQZSA-N 1 2 383.945 2.495 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000480026060 650614835 /nfs/dbraw/zinc/61/48/35/650614835.db2.gz ZSICLPSBEOYCMG-UHFFFAOYSA-N 1 2 396.519 2.250 20 0 GEADLO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000520588732 650615186 /nfs/dbraw/zinc/61/51/86/650615186.db2.gz XPNMFXZJVIMKLK-GFCCVEGCSA-N 1 2 392.253 2.296 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)CCc2ccc(Br)cc2)CC1 ZINC000480188419 650617520 /nfs/dbraw/zinc/61/75/20/650617520.db2.gz YVLJRQWNYHTCMC-CQSZACIVSA-N 1 2 396.329 2.051 20 0 GEADLO COc1c(C)c[nH+]c(CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1C ZINC000522254236 650624069 /nfs/dbraw/zinc/62/40/69/650624069.db2.gz NTPOOZZGKCYPPJ-GFCCVEGCSA-N 1 2 383.495 2.360 20 0 GEADLO NS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)s1 ZINC000523178153 650632264 /nfs/dbraw/zinc/63/22/64/650632264.db2.gz DFVKRPFILPNPAK-UHFFFAOYSA-N 1 2 396.881 2.416 20 0 GEADLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000480837167 650634261 /nfs/dbraw/zinc/63/42/61/650634261.db2.gz JMDODDVDMQSLOY-ISVAXAHUSA-N 1 2 395.269 2.488 20 0 GEADLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000480837167 650634264 /nfs/dbraw/zinc/63/42/64/650634264.db2.gz JMDODDVDMQSLOY-ISVAXAHUSA-N 1 2 395.269 2.488 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)CCCOc2ccccc2Br)CCO1 ZINC000523712790 650637359 /nfs/dbraw/zinc/63/73/59/650637359.db2.gz SJYAQABKDMEHIZ-AWEZNQCLSA-N 1 2 385.302 2.445 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)CCCOc2ccccc2Br)CCO1 ZINC000523712790 650637362 /nfs/dbraw/zinc/63/73/62/650637362.db2.gz SJYAQABKDMEHIZ-AWEZNQCLSA-N 1 2 385.302 2.445 20 0 GEADLO NC(=O)[C@H]([NH2+]CC(=O)N1Cc2ccccc2C1)c1ccc(Br)cc1 ZINC000481696301 650651519 /nfs/dbraw/zinc/65/15/19/650651519.db2.gz XFGKBZSBIHPKRN-QGZVFWFLSA-N 1 2 388.265 2.108 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000482839955 650669795 /nfs/dbraw/zinc/66/97/95/650669795.db2.gz WXGZLLHYKHCIJD-INIZCTEOSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000482839955 650669797 /nfs/dbraw/zinc/66/97/97/650669797.db2.gz WXGZLLHYKHCIJD-INIZCTEOSA-N 1 2 390.933 2.221 20 0 GEADLO O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000484264264 650686675 /nfs/dbraw/zinc/68/66/75/650686675.db2.gz VDYBZRNJELUTRA-VIFPVBQESA-N 1 2 397.660 2.369 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000528534732 650694845 /nfs/dbraw/zinc/69/48/45/650694845.db2.gz FTKXSEHDZLFDNQ-UHFFFAOYSA-N 1 2 376.881 2.355 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC)CC[N@@H+]1CCOC ZINC000486094066 650707327 /nfs/dbraw/zinc/70/73/27/650707327.db2.gz LODFBVFILYEBIA-OAHLLOKOSA-N 1 2 390.933 2.470 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC)CC[N@H+]1CCOC ZINC000486094066 650707329 /nfs/dbraw/zinc/70/73/29/650707329.db2.gz LODFBVFILYEBIA-OAHLLOKOSA-N 1 2 390.933 2.470 20 0 GEADLO CC(C)NS(=O)(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000486565763 650715745 /nfs/dbraw/zinc/71/57/45/650715745.db2.gz MQQWMOZOGQEEMO-UHFFFAOYSA-N 1 2 380.341 2.396 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000487805912 650738251 /nfs/dbraw/zinc/73/82/51/650738251.db2.gz SBMCCFZJSQMTCJ-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000487805911 650738287 /nfs/dbraw/zinc/73/82/87/650738287.db2.gz SBMCCFZJSQMTCJ-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO CC(C)[C@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000488081497 650740985 /nfs/dbraw/zinc/74/09/85/650740985.db2.gz XHMBDLMFGAZIIV-MRXNPFEDSA-N 1 2 389.359 2.495 20 0 GEADLO CC(C)[C@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000488081497 650740986 /nfs/dbraw/zinc/74/09/86/650740986.db2.gz XHMBDLMFGAZIIV-MRXNPFEDSA-N 1 2 389.359 2.495 20 0 GEADLO CO[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C[C@@H]1OC ZINC000489201986 650755802 /nfs/dbraw/zinc/75/58/02/650755802.db2.gz MXTSSALAGKRWQC-IXDOHACOSA-N 1 2 397.313 2.458 20 0 GEADLO Cc1cc(N)nc(SCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)[nH+]1 ZINC000029448639 642464293 /nfs/dbraw/zinc/46/42/93/642464293.db2.gz RLYBVEUFYVCYQP-UHFFFAOYSA-N 1 2 388.421 2.094 20 0 GEADLO Cn1ncc(NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1=O ZINC000034352395 642505599 /nfs/dbraw/zinc/50/55/99/642505599.db2.gz LMHZRBMNIHUGEY-UHFFFAOYSA-N 1 2 382.295 2.321 20 0 GEADLO CC(C)CSCCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000533738440 650764816 /nfs/dbraw/zinc/76/48/16/650764816.db2.gz FCTJGQVOYDUDHX-KRWDZBQOSA-N 1 2 375.604 2.273 20 0 GEADLO CN(C)C(=O)C1CC[NH+](Cn2c(=O)oc3cc(Br)ccc32)CC1 ZINC000042094460 642541523 /nfs/dbraw/zinc/54/15/23/642541523.db2.gz AHBDLCMLXBLYGT-UHFFFAOYSA-N 1 2 382.258 2.115 20 0 GEADLO COC(=O)Cc1csc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000043400419 642559515 /nfs/dbraw/zinc/55/95/15/642559515.db2.gz SAPMFPOMXIAXSG-UHFFFAOYSA-N 1 2 380.495 2.270 20 0 GEADLO O=S(=O)(NCC[NH+]1CCSCC1)c1ccc(OC(F)F)c(Cl)c1 ZINC000489689738 650761772 /nfs/dbraw/zinc/76/17/72/650761772.db2.gz SMZLQJVJXHZQRJ-UHFFFAOYSA-N 1 2 386.873 2.269 20 0 GEADLO CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCCn1cc[nH+]c1 ZINC000043947297 642566433 /nfs/dbraw/zinc/56/64/33/642566433.db2.gz CSFZUJLQSLROHH-HNNXBMFYSA-N 1 2 393.285 2.216 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000045159024 642590335 /nfs/dbraw/zinc/59/03/35/642590335.db2.gz PWTPOPZBQBJASG-CYBMUJFWSA-N 1 2 391.269 2.205 20 0 GEADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000045797331 642596717 /nfs/dbraw/zinc/59/67/17/642596717.db2.gz IRYPETOYEITABF-CYBMUJFWSA-N 1 2 386.857 2.301 20 0 GEADLO CC[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000046071638 642603544 /nfs/dbraw/zinc/60/35/44/642603544.db2.gz JLEJTRTZRNWLPM-HNNXBMFYSA-N 1 2 382.917 2.189 20 0 GEADLO CC[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)[N@H+]1CCc2ccccc2C1 ZINC000046071638 642603554 /nfs/dbraw/zinc/60/35/54/642603554.db2.gz JLEJTRTZRNWLPM-HNNXBMFYSA-N 1 2 382.917 2.189 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000046946098 642620353 /nfs/dbraw/zinc/62/03/53/642620353.db2.gz IRCRRGFGLQKOFJ-GJZGRUSLSA-N 1 2 390.596 2.168 20 0 GEADLO N#Cc1ccsc1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052223119 642713418 /nfs/dbraw/zinc/71/34/18/642713418.db2.gz CCCSBTURSKNLMV-UHFFFAOYSA-N 1 2 375.475 2.182 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000052692705 642725074 /nfs/dbraw/zinc/72/50/74/642725074.db2.gz PABIJNAWUAYTOW-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000052692705 642725096 /nfs/dbraw/zinc/72/50/96/642725096.db2.gz PABIJNAWUAYTOW-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000052691853 642725371 /nfs/dbraw/zinc/72/53/71/642725371.db2.gz JIQMBZPQFKCJQE-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000052691853 642725375 /nfs/dbraw/zinc/72/53/75/642725375.db2.gz JIQMBZPQFKCJQE-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000052694519 642725382 /nfs/dbraw/zinc/72/53/82/642725382.db2.gz IRKLVJHUFOQLPC-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000052694519 642725395 /nfs/dbraw/zinc/72/53/95/642725395.db2.gz IRKLVJHUFOQLPC-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000052749894 642726524 /nfs/dbraw/zinc/72/65/24/642726524.db2.gz FTAAEWRNZMLCMJ-QWHCGFSZSA-N 1 2 391.269 2.203 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000052749896 642726812 /nfs/dbraw/zinc/72/68/12/642726812.db2.gz FTAAEWRNZMLCMJ-STQMWFEESA-N 1 2 391.269 2.203 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c1 ZINC000534685605 650779780 /nfs/dbraw/zinc/77/97/80/650779780.db2.gz YVKBUKSFQUSHNP-UHFFFAOYSA-N 1 2 379.463 2.466 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000063303928 642856539 /nfs/dbraw/zinc/85/65/39/642856539.db2.gz RSPHPWDYYOZICV-RYUDHWBXSA-N 1 2 387.267 2.318 20 0 GEADLO CCC[N@H+](CC(=O)N(C)C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000064246556 642871832 /nfs/dbraw/zinc/87/18/32/642871832.db2.gz LLWLKJNQOMGOTE-UHFFFAOYSA-N 1 2 390.347 2.269 20 0 GEADLO CCC[N@@H+](CC(=O)N(C)C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000064246556 642871833 /nfs/dbraw/zinc/87/18/33/642871833.db2.gz LLWLKJNQOMGOTE-UHFFFAOYSA-N 1 2 390.347 2.269 20 0 GEADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1nc2ncc(Br)cn2n1 ZINC000065784437 642888492 /nfs/dbraw/zinc/88/84/92/642888492.db2.gz OMYBAVYVRTWXHK-UHFFFAOYSA-N 1 2 384.197 2.325 20 0 GEADLO COCC[N@H+](Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066493902 642916996 /nfs/dbraw/zinc/91/69/96/642916996.db2.gz UZJGVSBBVYPWNY-CQSZACIVSA-N 1 2 381.416 2.263 20 0 GEADLO COCC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066493902 642917002 /nfs/dbraw/zinc/91/70/02/642917002.db2.gz UZJGVSBBVYPWNY-CQSZACIVSA-N 1 2 381.416 2.263 20 0 GEADLO COCC[N@H+](Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066493906 642917154 /nfs/dbraw/zinc/91/71/54/642917154.db2.gz UZJGVSBBVYPWNY-AWEZNQCLSA-N 1 2 381.416 2.263 20 0 GEADLO COCC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066493906 642917159 /nfs/dbraw/zinc/91/71/59/642917159.db2.gz UZJGVSBBVYPWNY-AWEZNQCLSA-N 1 2 381.416 2.263 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N(CC(F)F)CC1CCC1 ZINC000536376703 650801580 /nfs/dbraw/zinc/80/15/80/650801580.db2.gz BCXQFEPPXBXBKL-QGZVFWFLSA-N 1 2 377.501 2.271 20 0 GEADLO Cc1nc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cs1 ZINC000067500249 642969741 /nfs/dbraw/zinc/96/97/41/642969741.db2.gz IQOJKRGKGGCFNT-MRXNPFEDSA-N 1 2 381.523 2.199 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000068507268 643004572 /nfs/dbraw/zinc/00/45/72/643004572.db2.gz UOPYRKMRRBVMKT-UHFFFAOYSA-N 1 2 385.338 2.294 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(F)cc2Br)CCO1 ZINC000494427858 650807686 /nfs/dbraw/zinc/80/76/86/650807686.db2.gz UFROLOCVZHOJPZ-CQSZACIVSA-N 1 2 388.281 2.498 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(F)cc2Br)CCO1 ZINC000494427858 650807687 /nfs/dbraw/zinc/80/76/87/650807687.db2.gz UFROLOCVZHOJPZ-CQSZACIVSA-N 1 2 388.281 2.498 20 0 GEADLO CCCC[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000071006772 643057296 /nfs/dbraw/zinc/05/72/96/643057296.db2.gz QFWSCCKXIJYNKF-OAHLLOKOSA-N 1 2 383.901 2.137 20 0 GEADLO CCCC[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000071006772 643057302 /nfs/dbraw/zinc/05/73/02/643057302.db2.gz QFWSCCKXIJYNKF-OAHLLOKOSA-N 1 2 383.901 2.137 20 0 GEADLO Cc1cc(C[NH+]2CCN(c3cc(Br)cc(F)c3C(N)=O)CC2)on1 ZINC000092827573 643073068 /nfs/dbraw/zinc/07/30/68/643073068.db2.gz FTLHQFZKPLGSIY-UHFFFAOYSA-N 1 2 397.248 2.306 20 0 GEADLO OC[C@@H](O)C[N@H+](CCC(F)(F)F)Cc1cnc2ccc(Br)cn12 ZINC000093814187 643080967 /nfs/dbraw/zinc/08/09/67/643080967.db2.gz OZVIEJYJSRHOFW-LBPRGKRZSA-N 1 2 396.207 2.204 20 0 GEADLO OC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1cnc2ccc(Br)cn12 ZINC000093814187 643080973 /nfs/dbraw/zinc/08/09/73/643080973.db2.gz OZVIEJYJSRHOFW-LBPRGKRZSA-N 1 2 396.207 2.204 20 0 GEADLO CC1CC[NH+]([C@H](CNC(=O)N(C)CCS(C)(=O)=O)c2cccs2)CC1 ZINC000102804111 643140055 /nfs/dbraw/zinc/14/00/55/643140055.db2.gz IEFGOFNDLFGBKQ-OAHLLOKOSA-N 1 2 387.571 2.207 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000494813366 650817106 /nfs/dbraw/zinc/81/71/06/650817106.db2.gz VSAKJCAZYXCDEA-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000494813366 650817108 /nfs/dbraw/zinc/81/71/08/650817108.db2.gz VSAKJCAZYXCDEA-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO Cc1ccsc1S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000537657694 650820280 /nfs/dbraw/zinc/82/02/80/650820280.db2.gz SGSLOGYSBFWVEC-SJORKVTESA-N 1 2 380.535 2.218 20 0 GEADLO Cc1ccsc1S(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000537657694 650820281 /nfs/dbraw/zinc/82/02/81/650820281.db2.gz SGSLOGYSBFWVEC-SJORKVTESA-N 1 2 380.535 2.218 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(Br)c(F)c2)CCO1 ZINC000495007214 650820504 /nfs/dbraw/zinc/82/05/04/650820504.db2.gz OHNUTGVPNHFGFY-CYBMUJFWSA-N 1 2 388.281 2.498 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(Br)c(F)c2)CCO1 ZINC000495007214 650820508 /nfs/dbraw/zinc/82/05/08/650820508.db2.gz OHNUTGVPNHFGFY-CYBMUJFWSA-N 1 2 388.281 2.498 20 0 GEADLO C[C@@H](NC(=O)NCCNc1ncc(Cl)cc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000105139017 643199758 /nfs/dbraw/zinc/19/97/58/643199758.db2.gz WMLPLULCGKFVNG-VXGBXAGGSA-N 1 2 390.315 2.209 20 0 GEADLO C[C@@H](NC(=O)NCc1cc(Br)cs1)[C@@H](C)[NH+]1CCOCC1 ZINC000105152467 643200581 /nfs/dbraw/zinc/20/05/81/643200581.db2.gz YANFBHJJQKTAAF-GHMZBOCLSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H](NC(=O)NCc1cc(Br)cs1)[C@H](C)[NH+]1CCOCC1 ZINC000105152480 643200707 /nfs/dbraw/zinc/20/07/07/643200707.db2.gz YANFBHJJQKTAAF-MNOVXSKESA-N 1 2 376.320 2.419 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000105183450 643201517 /nfs/dbraw/zinc/20/15/17/643201517.db2.gz SFOJLPSJUMCGLA-MRXNPFEDSA-N 1 2 382.302 2.410 20 0 GEADLO NC(=O)[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccc(Br)cc1 ZINC000105402315 643206281 /nfs/dbraw/zinc/20/62/81/643206281.db2.gz NGZIDFZPCOOMNI-QGZVFWFLSA-N 1 2 388.265 2.154 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1Cl ZINC000537746467 650822826 /nfs/dbraw/zinc/82/28/26/650822826.db2.gz CXLDKDJOVRMACO-VHSXEESVSA-N 1 2 377.869 2.151 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1Cl ZINC000537746467 650822827 /nfs/dbraw/zinc/82/28/27/650822827.db2.gz CXLDKDJOVRMACO-VHSXEESVSA-N 1 2 377.869 2.151 20 0 GEADLO Cc1cc(OC[C@H](O)C[N@@H+]2CCSC[C@H]2C(N)=O)c(C(C)C)cc1Cl ZINC000538037139 650828225 /nfs/dbraw/zinc/82/82/25/650828225.db2.gz HRGLJXYYLGKDHC-CJNGLKHVSA-N 1 2 386.945 2.414 20 0 GEADLO Cc1cc(OC[C@H](O)C[N@H+]2CCSC[C@H]2C(N)=O)c(C(C)C)cc1Cl ZINC000538037139 650828228 /nfs/dbraw/zinc/82/82/28/650828228.db2.gz HRGLJXYYLGKDHC-CJNGLKHVSA-N 1 2 386.945 2.414 20 0 GEADLO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000109851317 643302469 /nfs/dbraw/zinc/30/24/69/643302469.db2.gz DXSUHNYGYSWYDW-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000109851317 643302472 /nfs/dbraw/zinc/30/24/72/643302472.db2.gz DXSUHNYGYSWYDW-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](N2CCCC2=O)C1)Nc1ccc(Br)cc1 ZINC000111292830 643332353 /nfs/dbraw/zinc/33/23/53/643332353.db2.gz YJXLTLKZEKTQPP-HNNXBMFYSA-N 1 2 380.286 2.474 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](N2CCCC2=O)C1)Nc1ccc(Br)cc1 ZINC000111292830 643332359 /nfs/dbraw/zinc/33/23/59/643332359.db2.gz YJXLTLKZEKTQPP-HNNXBMFYSA-N 1 2 380.286 2.474 20 0 GEADLO O=C(NCc1ccsc1Br)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000497321682 650834023 /nfs/dbraw/zinc/83/40/23/650834023.db2.gz KQWQLSQBABFRPA-UHFFFAOYSA-N 1 2 393.266 2.091 20 0 GEADLO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]Cc1c(F)cccc1Cl ZINC000113361293 643394781 /nfs/dbraw/zinc/39/47/81/643394781.db2.gz SZADITOUQSFYQD-UHFFFAOYSA-N 1 2 386.876 2.382 20 0 GEADLO CCS(=O)(=O)C[C@H](C)N(C)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000113448505 643398544 /nfs/dbraw/zinc/39/85/44/643398544.db2.gz RTLQBDCOJFVFQO-AWEZNQCLSA-N 1 2 383.539 2.158 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000113448502 643398587 /nfs/dbraw/zinc/39/85/87/643398587.db2.gz RTLQBDCOJFVFQO-CQSZACIVSA-N 1 2 383.539 2.158 20 0 GEADLO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000114380392 643416437 /nfs/dbraw/zinc/41/64/37/643416437.db2.gz SZOALTBTYYBRTD-AWEZNQCLSA-N 1 2 396.329 2.022 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000114674461 643423407 /nfs/dbraw/zinc/42/34/07/643423407.db2.gz QWHGBXAZBIUPBY-UHFFFAOYSA-N 1 2 375.226 2.307 20 0 GEADLO CC(C)(C)S(=O)(=O)CCNC(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000115699118 643445358 /nfs/dbraw/zinc/44/53/58/643445358.db2.gz ICANNWVOGJKKDS-UHFFFAOYSA-N 1 2 387.571 2.225 20 0 GEADLO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)nc2)CC1 ZINC000116601310 643466555 /nfs/dbraw/zinc/46/65/55/643466555.db2.gz YMCZGUUAUAYKKL-UHFFFAOYSA-N 1 2 384.864 2.427 20 0 GEADLO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]Cc1cc(Cl)ccc1F ZINC000119216671 643542529 /nfs/dbraw/zinc/54/25/29/643542529.db2.gz MBKWIGODOJKUAU-UHFFFAOYSA-N 1 2 386.876 2.382 20 0 GEADLO COc1ccc(Br)c(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000119637253 643562353 /nfs/dbraw/zinc/56/23/53/643562353.db2.gz ZMVIGWSLNOFVPX-UHFFFAOYSA-N 1 2 396.329 2.198 20 0 GEADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000119843638 643574617 /nfs/dbraw/zinc/57/46/17/643574617.db2.gz CEGHHGHATCPEIK-UHFFFAOYSA-N 1 2 378.523 2.108 20 0 GEADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000119843638 643574626 /nfs/dbraw/zinc/57/46/26/643574626.db2.gz CEGHHGHATCPEIK-UHFFFAOYSA-N 1 2 378.523 2.108 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(Br)ccc2F)C[C@H]1C ZINC000539782282 650850151 /nfs/dbraw/zinc/85/01/51/650850151.db2.gz IEDQHVCPECKIJU-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(Br)ccc2F)C[C@H]1C ZINC000539782282 650850153 /nfs/dbraw/zinc/85/01/53/650850153.db2.gz IEDQHVCPECKIJU-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1cc(Cl)ccc1Br ZINC000120377502 643602448 /nfs/dbraw/zinc/60/24/48/643602448.db2.gz QHYQVLCBBGNUBQ-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO S=c1sc(N2CCOCC2)nn1CN1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121055668 643628271 /nfs/dbraw/zinc/62/82/71/643628271.db2.gz PXVLNWIZTMQXBY-CQSZACIVSA-N 1 2 379.511 2.016 20 0 GEADLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2cc(Br)ccn2)CC1 ZINC000123512442 643672742 /nfs/dbraw/zinc/67/27/42/643672742.db2.gz SUEWRLBTFRDEHF-UHFFFAOYSA-N 1 2 378.274 2.428 20 0 GEADLO O=C(CSCc1cscn1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000124909338 643693482 /nfs/dbraw/zinc/69/34/82/643693482.db2.gz YHVOQAHNIJWQOK-KRWDZBQOSA-N 1 2 377.535 2.394 20 0 GEADLO O=C(CSCc1cscn1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000124909338 643693485 /nfs/dbraw/zinc/69/34/85/643693485.db2.gz YHVOQAHNIJWQOK-KRWDZBQOSA-N 1 2 377.535 2.394 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)COCC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000126954671 643751420 /nfs/dbraw/zinc/75/14/20/643751420.db2.gz MTTVVJBVGBKDFB-DZGCQCFKSA-N 1 2 380.794 2.407 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)COCC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000126954671 643751426 /nfs/dbraw/zinc/75/14/26/643751426.db2.gz MTTVVJBVGBKDFB-DZGCQCFKSA-N 1 2 380.794 2.407 20 0 GEADLO C[C@@H](CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000127597141 643780306 /nfs/dbraw/zinc/78/03/06/643780306.db2.gz DZLBFZUXGPFTQT-YOEHRIQHSA-N 1 2 399.329 2.094 20 0 GEADLO Cc1cccn2cc(CC(=O)Nc3cn(C)cc(Br)c3=O)[nH+]c12 ZINC000541012534 650868490 /nfs/dbraw/zinc/86/84/90/650868490.db2.gz LZCDGGOYJPDCDM-UHFFFAOYSA-N 1 2 375.226 2.285 20 0 GEADLO O=C(N[C@@H](CCO)c1ccccc1Br)[C@H]1CCn2c[nH+]cc2C1 ZINC000541051793 650869909 /nfs/dbraw/zinc/86/99/09/650869909.db2.gz NXBDGIKOQFCRHX-LRDDRELGSA-N 1 2 378.270 2.448 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000151286061 643935290 /nfs/dbraw/zinc/93/52/90/643935290.db2.gz OGYXCTHZJYWOBT-UHFFFAOYSA-N 1 2 392.301 2.173 20 0 GEADLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000154199038 644024860 /nfs/dbraw/zinc/02/48/60/644024860.db2.gz DOUHIZAWYAETKJ-XHDPSFHLSA-N 1 2 379.869 2.086 20 0 GEADLO CO[C@H](C)CSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000542006032 650885175 /nfs/dbraw/zinc/88/51/75/650885175.db2.gz WRIYTJCXDUILCQ-CYBMUJFWSA-N 1 2 383.539 2.307 20 0 GEADLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)cc1 ZINC000159310725 644185838 /nfs/dbraw/zinc/18/58/38/644185838.db2.gz OAECITLKTVPWCX-ZDUSSCGKSA-N 1 2 382.283 2.401 20 0 GEADLO CS(=O)(=O)c1csc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000162525364 644237917 /nfs/dbraw/zinc/23/79/17/644237917.db2.gz PGDMPQLEIYTAIJ-UHFFFAOYSA-N 1 2 380.491 2.236 20 0 GEADLO C[C@H](Cc1ccccc1Br)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000164490960 644265318 /nfs/dbraw/zinc/26/53/18/644265318.db2.gz LYIZFLRZVVPCIH-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@H]1n1cc[nH+]c1 ZINC000164613535 644266526 /nfs/dbraw/zinc/26/65/26/644266526.db2.gz MPEKRBQIOHTHBA-DGCLKSJQSA-N 1 2 392.257 2.089 20 0 GEADLO CO[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000171129878 644312953 /nfs/dbraw/zinc/31/29/53/644312953.db2.gz KMQJDYOAHRCKBH-YOEHRIQHSA-N 1 2 396.285 2.284 20 0 GEADLO CO[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000171129878 644312958 /nfs/dbraw/zinc/31/29/58/644312958.db2.gz KMQJDYOAHRCKBH-YOEHRIQHSA-N 1 2 396.285 2.284 20 0 GEADLO Cc1cc2c(cc1Br)N(C[C@H](O)C[NH+]1CCOCC1)C[C@@H](C)O2 ZINC000175598426 644391980 /nfs/dbraw/zinc/39/19/80/644391980.db2.gz WRIRKBPUZJIKSV-ZIAGYGMSSA-N 1 2 385.302 2.038 20 0 GEADLO O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)[C@@H]1COCC[NH2+]1 ZINC000180120770 644489603 /nfs/dbraw/zinc/48/96/03/644489603.db2.gz QPRNWQKHWHMJAZ-ZDUSSCGKSA-N 1 2 382.283 2.423 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000181627311 644942783 /nfs/dbraw/zinc/94/27/83/644942783.db2.gz ZGJOMVPQBNNKBV-RYUDHWBXSA-N 1 2 389.279 2.376 20 0 GEADLO Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCN(C3=NC[C@H](C)S3)CC2)c1 ZINC000182536890 644965233 /nfs/dbraw/zinc/96/52/33/644965233.db2.gz VWTHNBPXXUYNCA-GJZGRUSLSA-N 1 2 383.945 2.497 20 0 GEADLO Cc1csc([C@H](C)[NH2+]CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000184267827 645014567 /nfs/dbraw/zinc/01/45/67/645014567.db2.gz IXCBALXOWKHGOT-DZGCQCFKSA-N 1 2 385.555 2.060 20 0 GEADLO C[C@@H](NC(=O)NNc1ccc(Br)c(F)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000185355614 645042778 /nfs/dbraw/zinc/04/27/78/645042778.db2.gz BRJQKKPDOCSNJV-GHMZBOCLSA-N 1 2 389.269 2.324 20 0 GEADLO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185970947 645057322 /nfs/dbraw/zinc/05/73/22/645057322.db2.gz ALQZDWKGBYSPNT-SECBINFHSA-N 1 2 383.283 2.272 20 0 GEADLO O=S(=O)(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCc2c[nH+]ccc21 ZINC000187425684 645090325 /nfs/dbraw/zinc/09/03/25/645090325.db2.gz MRFWUNTYSAXMHT-UHFFFAOYSA-N 1 2 392.380 2.127 20 0 GEADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000188310914 645112721 /nfs/dbraw/zinc/11/27/21/645112721.db2.gz MVGKAZRHEPDFJV-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000188310914 645112727 /nfs/dbraw/zinc/11/27/27/645112727.db2.gz MVGKAZRHEPDFJV-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO O=C(CN1CC[NH+](C[C@H](O)CC(F)(F)F)CC1)Nc1ccccc1Cl ZINC000188614746 645121629 /nfs/dbraw/zinc/12/16/29/645121629.db2.gz FSXIPOHUHRNJMX-GFCCVEGCSA-N 1 2 379.810 2.209 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1)c1nnnn1C1CC1 ZINC000190855195 645166815 /nfs/dbraw/zinc/16/68/15/645166815.db2.gz PJQCUHBMBZRMQE-ZJUUUORDSA-N 1 2 379.262 2.448 20 0 GEADLO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)c1nnnn1C1CC1 ZINC000191469983 645176130 /nfs/dbraw/zinc/17/61/30/645176130.db2.gz KUQBFFGLLUYISU-NSHDSACASA-N 1 2 393.289 2.080 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)NCC[NH+]2CCCC2)ccc1Br ZINC000191858933 645182929 /nfs/dbraw/zinc/18/29/29/645182929.db2.gz AXKMOHYBFJKGOJ-UHFFFAOYSA-N 1 2 375.288 2.026 20 0 GEADLO CC(C)(C)C(=O)N1CC[NH+](C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000192900735 645228469 /nfs/dbraw/zinc/22/84/69/645228469.db2.gz ZCUKVNGTHWPEJD-HNNXBMFYSA-N 1 2 399.329 2.379 20 0 GEADLO C[C@H](CNC(=O)COc1cccc(I)c1)Cn1cc[nH+]c1 ZINC000194679278 645342165 /nfs/dbraw/zinc/34/21/65/645342165.db2.gz UFBXRYSVTQWIFU-GFCCVEGCSA-N 1 2 399.232 2.319 20 0 GEADLO Ic1cnc(NCc2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000546622575 651005021 /nfs/dbraw/zinc/00/50/21/651005021.db2.gz JOHURKSZTBWTCL-UHFFFAOYSA-N 1 2 377.189 2.879 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000195475260 645381621 /nfs/dbraw/zinc/38/16/21/645381621.db2.gz NWVMDJBWYFWLKM-OAHLLOKOSA-N 1 2 379.258 2.429 20 0 GEADLO CN(C)C(=O)CC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000234234151 645406583 /nfs/dbraw/zinc/40/65/83/645406583.db2.gz HYXHNLHECNFVSW-UHFFFAOYSA-N 1 2 380.080 2.485 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000245774726 645468598 /nfs/dbraw/zinc/46/85/98/645468598.db2.gz SLULXIULZUOSPR-JKSUJKDBSA-N 1 2 388.917 2.021 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000245774726 645468610 /nfs/dbraw/zinc/46/86/10/645468610.db2.gz SLULXIULZUOSPR-JKSUJKDBSA-N 1 2 388.917 2.021 20 0 GEADLO C[C@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@@H](c2ccsc2)O1 ZINC000246379868 645482265 /nfs/dbraw/zinc/48/22/65/645482265.db2.gz HINBCUTYWHWJKC-GUYCJALGSA-N 1 2 382.507 2.236 20 0 GEADLO C[C@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@@H](c2ccsc2)O1 ZINC000246379868 645482272 /nfs/dbraw/zinc/48/22/72/645482272.db2.gz HINBCUTYWHWJKC-GUYCJALGSA-N 1 2 382.507 2.236 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246818242 645495431 /nfs/dbraw/zinc/49/54/31/645495431.db2.gz JTBUUJUUDQHYLL-ZIAGYGMSSA-N 1 2 396.314 2.131 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246818242 645495440 /nfs/dbraw/zinc/49/54/40/645495440.db2.gz JTBUUJUUDQHYLL-ZIAGYGMSSA-N 1 2 396.314 2.131 20 0 GEADLO CS[C@H]1CCCC[N@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000246803292 645495480 /nfs/dbraw/zinc/49/54/80/645495480.db2.gz MYEHIGDZIXISOA-IRXDYDNUSA-N 1 2 388.599 2.162 20 0 GEADLO CS[C@H]1CCCC[N@@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000246803292 645495482 /nfs/dbraw/zinc/49/54/82/645495482.db2.gz MYEHIGDZIXISOA-IRXDYDNUSA-N 1 2 388.599 2.162 20 0 GEADLO CS[C@@H]1CCCC[N@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000246803268 645495516 /nfs/dbraw/zinc/49/55/16/645495516.db2.gz MYEHIGDZIXISOA-DLBZAZTESA-N 1 2 388.599 2.162 20 0 GEADLO CS[C@@H]1CCCC[N@@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000246803268 645495517 /nfs/dbraw/zinc/49/55/17/645495517.db2.gz MYEHIGDZIXISOA-DLBZAZTESA-N 1 2 388.599 2.162 20 0 GEADLO Cn1c[nH+]cc1Cc1noc(-c2cc3c(cc2Br)NC(=O)CO3)n1 ZINC000547261808 651019793 /nfs/dbraw/zinc/01/97/93/651019793.db2.gz GNOITJJOBHWCIC-UHFFFAOYSA-N 1 2 390.197 2.154 20 0 GEADLO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000547285798 651020786 /nfs/dbraw/zinc/02/07/86/651020786.db2.gz GNSPRQKDYWGFNV-UHFFFAOYSA-N 1 2 377.297 2.487 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000248969658 645544023 /nfs/dbraw/zinc/54/40/23/645544023.db2.gz DAPZXORISKZVCD-UKRRQHHQSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000248969658 645544029 /nfs/dbraw/zinc/54/40/29/645544029.db2.gz DAPZXORISKZVCD-UKRRQHHQSA-N 1 2 376.469 2.398 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[C@@H](C)C1 ZINC000249215672 645550166 /nfs/dbraw/zinc/55/01/66/645550166.db2.gz TUEHZUAIANEKCV-QWRGUYRKSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[C@@H](C)C1 ZINC000249215672 645550169 /nfs/dbraw/zinc/55/01/69/645550169.db2.gz TUEHZUAIANEKCV-QWRGUYRKSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1)c1ccc(Br)cc1 ZINC000249748116 645559988 /nfs/dbraw/zinc/55/99/88/645559988.db2.gz OSZARNPYABRTIT-LRDDRELGSA-N 1 2 394.313 2.369 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1)c1ccc(Br)cc1 ZINC000249748116 645560005 /nfs/dbraw/zinc/56/00/05/645560005.db2.gz OSZARNPYABRTIT-LRDDRELGSA-N 1 2 394.313 2.369 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1Cl ZINC000261757513 645597569 /nfs/dbraw/zinc/59/75/69/645597569.db2.gz QUSNKMKZBTVKMN-HNNXBMFYSA-N 1 2 381.885 2.387 20 0 GEADLO O=C(c1sccc1Br)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261792752 645600860 /nfs/dbraw/zinc/60/08/60/645600860.db2.gz QZIPPMMJBICRNY-UHFFFAOYSA-N 1 2 396.314 2.225 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000264546434 645690478 /nfs/dbraw/zinc/69/04/78/645690478.db2.gz URANBDOMKMYVHI-GFCCVEGCSA-N 1 2 380.242 2.418 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000264546434 645690489 /nfs/dbraw/zinc/69/04/89/645690489.db2.gz URANBDOMKMYVHI-GFCCVEGCSA-N 1 2 380.242 2.418 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)CCNC(=O)CCn1cc[nH+]c1 ZINC000264669798 645700517 /nfs/dbraw/zinc/70/05/17/645700517.db2.gz OZZWLOGQEZBMKN-UHFFFAOYSA-N 1 2 393.285 2.201 20 0 GEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cn1cc(Br)cn1 ZINC000265624456 645783322 /nfs/dbraw/zinc/78/33/22/645783322.db2.gz OODPXYJOZDVART-UHFFFAOYSA-N 1 2 393.285 2.425 20 0 GEADLO CC(C)(C)[C@@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(F)(F)F ZINC000547855142 651047851 /nfs/dbraw/zinc/04/78/51/651047851.db2.gz QPGXFOYOGXCHDF-IUODEOHRSA-N 1 2 383.480 2.471 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCOc1ccc(C(=O)OC)cc1Cl ZINC000266507253 645846025 /nfs/dbraw/zinc/84/60/25/645846025.db2.gz CEFJEBYKSHNRPZ-LBPRGKRZSA-N 1 2 377.890 2.260 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCOc1ccc(C(=O)OC)cc1Cl ZINC000266507253 645846030 /nfs/dbraw/zinc/84/60/30/645846030.db2.gz CEFJEBYKSHNRPZ-LBPRGKRZSA-N 1 2 377.890 2.260 20 0 GEADLO CSc1ccc(OCC[N@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000266729191 645860855 /nfs/dbraw/zinc/86/08/55/645860855.db2.gz KEFQWBRKMAOUPJ-NVXWUHKLSA-N 1 2 385.551 2.455 20 0 GEADLO CSc1ccc(OCC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000266729191 645860860 /nfs/dbraw/zinc/86/08/60/645860860.db2.gz KEFQWBRKMAOUPJ-NVXWUHKLSA-N 1 2 385.551 2.455 20 0 GEADLO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000547947603 651058255 /nfs/dbraw/zinc/05/82/55/651058255.db2.gz OVTPCDBPWSMPDD-CYBMUJFWSA-N 1 2 392.301 2.325 20 0 GEADLO Cn1c2cc(Br)ccc2nc1C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000547947603 651058257 /nfs/dbraw/zinc/05/82/57/651058257.db2.gz OVTPCDBPWSMPDD-CYBMUJFWSA-N 1 2 392.301 2.325 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000547954720 651058655 /nfs/dbraw/zinc/05/86/55/651058655.db2.gz VQLUGEJVTBHVKH-ZDUSSCGKSA-N 1 2 393.289 2.204 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)ccc1Cl ZINC000268218419 645954502 /nfs/dbraw/zinc/95/45/02/645954502.db2.gz WAGQHZNZQPIOER-UHFFFAOYSA-N 1 2 383.857 2.384 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269855240 646068081 /nfs/dbraw/zinc/06/80/81/646068081.db2.gz HDJOBHHEMYRZHQ-UHFFFAOYSA-N 1 2 383.857 2.418 20 0 GEADLO O=C(c1cncc(I)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000270148205 646088061 /nfs/dbraw/zinc/08/80/61/646088061.db2.gz CGWXWSZHTOUXAQ-SNVBAGLBSA-N 1 2 382.205 2.429 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000270504979 646112585 /nfs/dbraw/zinc/11/25/85/646112585.db2.gz QFUOGIYDLAONBY-WPRPVWTQSA-N 1 2 386.271 2.238 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000270504979 646112588 /nfs/dbraw/zinc/11/25/88/646112588.db2.gz QFUOGIYDLAONBY-WPRPVWTQSA-N 1 2 386.271 2.238 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000271112590 646174774 /nfs/dbraw/zinc/17/47/74/646174774.db2.gz MNRCKUKRWRZQNJ-HZMBPMFUSA-N 1 2 380.242 2.176 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000271112590 646174779 /nfs/dbraw/zinc/17/47/79/646174779.db2.gz MNRCKUKRWRZQNJ-HZMBPMFUSA-N 1 2 380.242 2.176 20 0 GEADLO CCOc1cccc(C[NH+]2CCC(S(=O)(=O)NC)CC2)c1OC(F)F ZINC000271212235 646179992 /nfs/dbraw/zinc/17/99/92/646179992.db2.gz YSTVHEJDYDVPQN-UHFFFAOYSA-N 1 2 378.441 2.200 20 0 GEADLO Cn1ncc2c1nc[nH+]c2NC[C@H](CO)Cc1cccc(Br)c1 ZINC000277198568 646388867 /nfs/dbraw/zinc/38/88/67/646388867.db2.gz PKUOXMBBWYMMDA-GFCCVEGCSA-N 1 2 376.258 2.389 20 0 GEADLO Cc1cc(Br)cn2cc(CCN3C(=O)[C@H]4CCCN4C3=O)[nH+]c12 ZINC000277204993 646389388 /nfs/dbraw/zinc/38/93/88/646389388.db2.gz HJFNTTPUNLFCIA-CYBMUJFWSA-N 1 2 377.242 2.374 20 0 GEADLO Cc1cc(Br)cn2cc(CCN3C(=O)NC4(CCC4)C3=O)[nH+]c12 ZINC000277256120 646394521 /nfs/dbraw/zinc/39/45/21/646394521.db2.gz NGTLTRRSZLUMOH-UHFFFAOYSA-N 1 2 377.242 2.422 20 0 GEADLO Cc1cc(Br)cn2cc(CCN3C(=O)N[C@H](C4CC4)C3=O)[nH+]c12 ZINC000277371893 646409644 /nfs/dbraw/zinc/40/96/44/646409644.db2.gz YPPXPNQKSOHANI-CYBMUJFWSA-N 1 2 377.242 2.278 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCc3cccnn3)[nH+]c12 ZINC000278111586 646494547 /nfs/dbraw/zinc/49/45/47/646494547.db2.gz ZTIMBRZJUUTJIM-UHFFFAOYSA-N 1 2 389.257 2.237 20 0 GEADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000278472654 646523505 /nfs/dbraw/zinc/52/35/05/646523505.db2.gz NYEBBAUPEJHJFI-CYBMUJFWSA-N 1 2 387.241 2.343 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cc(Br)cs1 ZINC000278686718 646539136 /nfs/dbraw/zinc/53/91/36/646539136.db2.gz BIBILCNGBZGYII-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)Nc1ccc(Br)cc1Cl ZINC000278824787 646553826 /nfs/dbraw/zinc/55/38/26/646553826.db2.gz HVYSIKIIIQYEGD-OAHLLOKOSA-N 1 2 386.677 2.253 20 0 GEADLO O=C(C[N@H+]1CC[C@@]2(CNC(=O)C2)C1)Nc1ccc(Br)cc1Cl ZINC000278824787 646553831 /nfs/dbraw/zinc/55/38/31/646553831.db2.gz HVYSIKIIIQYEGD-OAHLLOKOSA-N 1 2 386.677 2.253 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000278841537 646556136 /nfs/dbraw/zinc/55/61/36/646556136.db2.gz JHXYPQNVMKSFCM-XJKSGUPXSA-N 1 2 376.881 2.012 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000278841537 646556138 /nfs/dbraw/zinc/55/61/38/646556138.db2.gz JHXYPQNVMKSFCM-XJKSGUPXSA-N 1 2 376.881 2.012 20 0 GEADLO Cc1nn(C)c(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1Br ZINC000279127948 646580166 /nfs/dbraw/zinc/58/01/66/646580166.db2.gz MHIRWHZDKGGJKM-MRXNPFEDSA-N 1 2 393.329 2.482 20 0 GEADLO Cc1nn(C)c(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Br ZINC000279127948 646580171 /nfs/dbraw/zinc/58/01/71/646580171.db2.gz MHIRWHZDKGGJKM-MRXNPFEDSA-N 1 2 393.329 2.482 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(Cl)c1OC ZINC000279335879 646592519 /nfs/dbraw/zinc/59/25/19/646592519.db2.gz DQOROWHWWRFXEA-CQSZACIVSA-N 1 2 388.917 2.357 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(Cl)c1OC ZINC000279335879 646592530 /nfs/dbraw/zinc/59/25/30/646592530.db2.gz DQOROWHWWRFXEA-CQSZACIVSA-N 1 2 388.917 2.357 20 0 GEADLO O=S1(=O)CC[C@H](C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000280027302 646646644 /nfs/dbraw/zinc/64/66/44/646646644.db2.gz NACPSZVGQXWALM-OAHLLOKOSA-N 1 2 376.444 2.258 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)NCCCCn1cc(Br)cn1 ZINC000280412181 646679739 /nfs/dbraw/zinc/67/97/39/646679739.db2.gz OWHRBNZYIFNJGF-UHFFFAOYSA-N 1 2 383.294 2.354 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000280454319 646683777 /nfs/dbraw/zinc/68/37/77/646683777.db2.gz GMJDWSNFNTZILG-STQMWFEESA-N 1 2 385.306 2.267 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000281185483 646752964 /nfs/dbraw/zinc/75/29/64/646752964.db2.gz MDDHSIBIMCAFGY-OAHLLOKOSA-N 1 2 380.242 2.478 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000281185483 646752969 /nfs/dbraw/zinc/75/29/69/646752969.db2.gz MDDHSIBIMCAFGY-OAHLLOKOSA-N 1 2 380.242 2.478 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000281262161 646756934 /nfs/dbraw/zinc/75/69/34/646756934.db2.gz AYMADOBUJGHQDG-JTQLQIEISA-N 1 2 380.247 2.289 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281275286 646758373 /nfs/dbraw/zinc/75/83/73/646758373.db2.gz FYTGLKNLNZVTON-WDMOLILDSA-N 1 2 382.258 2.206 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281275286 646758376 /nfs/dbraw/zinc/75/83/76/646758376.db2.gz FYTGLKNLNZVTON-WDMOLILDSA-N 1 2 382.258 2.206 20 0 GEADLO Cc1csc(C2([NH2+]Cc3c(C)nn(CCS(C)(=O)=O)c3C)CCC2)n1 ZINC000281292203 646759352 /nfs/dbraw/zinc/75/93/52/646759352.db2.gz MWFUCGKAXOSIJQ-UHFFFAOYSA-N 1 2 382.555 2.478 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)S[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000289404383 646933108 /nfs/dbraw/zinc/93/31/08/646933108.db2.gz NQEYQFSEVMHLGF-HUUCEWRRSA-N 1 2 384.567 2.437 20 0 GEADLO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CCn2c[nH+]cc2C1 ZINC000291100246 647177688 /nfs/dbraw/zinc/17/76/88/647177688.db2.gz LORYAIVWWGZFIB-CYBMUJFWSA-N 1 2 389.253 2.041 20 0 GEADLO COc1cc(/C=C/C(=O)N2CCn3c[nH+]cc3C2)cc(Br)c1O ZINC000292157011 647182310 /nfs/dbraw/zinc/18/23/10/647182310.db2.gz VVGKGSSXQNCANZ-NSCUHMNNSA-N 1 2 378.226 2.415 20 0 GEADLO CSCC[C@@H](NC(N)=O)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000292525438 647197743 /nfs/dbraw/zinc/19/77/43/647197743.db2.gz LLCGORDSQHKRMT-DGCLKSJQSA-N 1 2 385.559 2.104 20 0 GEADLO CSCC[C@@H](NC(N)=O)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000292525438 647197748 /nfs/dbraw/zinc/19/77/48/647197748.db2.gz LLCGORDSQHKRMT-DGCLKSJQSA-N 1 2 385.559 2.104 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)o1 ZINC000294879743 647225524 /nfs/dbraw/zinc/22/55/24/647225524.db2.gz ACSSLTIRBYRTOE-PWSUYJOCSA-N 1 2 388.251 2.289 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)o1 ZINC000294879743 647225526 /nfs/dbraw/zinc/22/55/26/647225526.db2.gz ACSSLTIRBYRTOE-PWSUYJOCSA-N 1 2 388.251 2.289 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cnc(Br)s2)C1 ZINC000295566779 647234599 /nfs/dbraw/zinc/23/45/99/647234599.db2.gz QUOSSOIVQCGDLG-MNOVXSKESA-N 1 2 376.320 2.269 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cnc(Br)s2)C1 ZINC000295566779 647234603 /nfs/dbraw/zinc/23/46/03/647234603.db2.gz QUOSSOIVQCGDLG-MNOVXSKESA-N 1 2 376.320 2.269 20 0 GEADLO Cc1c(Cl)cncc1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000296670027 647254810 /nfs/dbraw/zinc/25/48/10/647254810.db2.gz YMZPNKVAJKIUOJ-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO Cc1c(Cl)cncc1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000296670027 647254817 /nfs/dbraw/zinc/25/48/17/647254817.db2.gz YMZPNKVAJKIUOJ-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cnc(Cl)c(Br)c1 ZINC000308684620 647280656 /nfs/dbraw/zinc/28/06/56/647280656.db2.gz WQPXDVVLDCRRQY-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)Nc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000319354744 647289887 /nfs/dbraw/zinc/28/98/87/647289887.db2.gz WEEXVGXIXIFQID-QMMMGPOBSA-N 1 2 380.168 2.265 20 0 GEADLO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000329094902 647317121 /nfs/dbraw/zinc/31/71/21/647317121.db2.gz XTGPYZRDFNVCEV-XIRDDKMYSA-N 1 2 386.286 2.069 20 0 GEADLO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000329094902 647317124 /nfs/dbraw/zinc/31/71/24/647317124.db2.gz XTGPYZRDFNVCEV-XIRDDKMYSA-N 1 2 386.286 2.069 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(Br)o2)CC[N@@H+]1CCOC ZINC000330822735 647353956 /nfs/dbraw/zinc/35/39/56/647353956.db2.gz PPAZFEMRMOCJIH-LBPRGKRZSA-N 1 2 395.319 2.164 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(Br)o2)CC[N@H+]1CCOC ZINC000330822735 647353962 /nfs/dbraw/zinc/35/39/62/647353962.db2.gz PPAZFEMRMOCJIH-LBPRGKRZSA-N 1 2 395.319 2.164 20 0 GEADLO CC(C)(O)CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000330836663 647355257 /nfs/dbraw/zinc/35/52/57/647355257.db2.gz LURBTJPWXCLWQF-UHFFFAOYSA-N 1 2 381.325 2.461 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000330968708 647361008 /nfs/dbraw/zinc/36/10/08/647361008.db2.gz SLIQOWJZSZKAOD-MJBXVCDLSA-N 1 2 390.933 2.467 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000330968708 647361011 /nfs/dbraw/zinc/36/10/11/647361011.db2.gz SLIQOWJZSZKAOD-MJBXVCDLSA-N 1 2 390.933 2.467 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000331577558 647390665 /nfs/dbraw/zinc/39/06/65/647390665.db2.gz LCQDQVPDJNKBHT-NSHDSACASA-N 1 2 394.269 2.153 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000331577558 647390672 /nfs/dbraw/zinc/39/06/72/647390672.db2.gz LCQDQVPDJNKBHT-NSHDSACASA-N 1 2 394.269 2.153 20 0 GEADLO CCn1nc(C)c(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c1C ZINC000331895684 647402398 /nfs/dbraw/zinc/40/23/98/647402398.db2.gz XYCMSYODNLEZQZ-UHFFFAOYSA-N 1 2 382.555 2.130 20 0 GEADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000333621872 647476796 /nfs/dbraw/zinc/47/67/96/647476796.db2.gz PRRHXFGRAPQNHC-CQSZACIVSA-N 1 2 382.555 2.484 20 0 GEADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000333621872 647476800 /nfs/dbraw/zinc/47/68/00/647476800.db2.gz PRRHXFGRAPQNHC-CQSZACIVSA-N 1 2 382.555 2.484 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1Cc1cc2cc(Br)ccc2[nH]1 ZINC000348615374 647495714 /nfs/dbraw/zinc/49/57/14/647495714.db2.gz LFQQOQJGQOEJIJ-AWEZNQCLSA-N 1 2 388.225 2.317 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1Cc1cc2cc(Br)ccc2[nH]1 ZINC000348615374 647495718 /nfs/dbraw/zinc/49/57/18/647495718.db2.gz LFQQOQJGQOEJIJ-AWEZNQCLSA-N 1 2 388.225 2.317 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000362994835 647578086 /nfs/dbraw/zinc/57/80/86/647578086.db2.gz QKDZFONSQWDYPU-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000362994835 647578091 /nfs/dbraw/zinc/57/80/91/647578091.db2.gz QKDZFONSQWDYPU-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO NS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000363015847 647579251 /nfs/dbraw/zinc/57/92/51/647579251.db2.gz JYGZFKIVOZWKJA-CYBMUJFWSA-N 1 2 380.297 2.075 20 0 GEADLO NS(=O)(=O)CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000363015847 647579252 /nfs/dbraw/zinc/57/92/52/647579252.db2.gz JYGZFKIVOZWKJA-CYBMUJFWSA-N 1 2 380.297 2.075 20 0 GEADLO CN(C)c1nc2sc(C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2s1 ZINC000363027776 647580252 /nfs/dbraw/zinc/58/02/52/647580252.db2.gz HMDJLURFWGWWLG-VXGBXAGGSA-N 1 2 380.539 2.095 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1C[C@H](c2ccsc2)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000363259752 647589746 /nfs/dbraw/zinc/58/97/46/647589746.db2.gz QKRLSEFZCZDKOX-YALNPMBYSA-N 1 2 384.567 2.350 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1C[C@H](c2ccsc2)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000363259752 647589751 /nfs/dbraw/zinc/58/97/51/647589751.db2.gz QKRLSEFZCZDKOX-YALNPMBYSA-N 1 2 384.567 2.350 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000363805828 647609141 /nfs/dbraw/zinc/60/91/41/647609141.db2.gz TUYXLAUMZFBYHB-OAHLLOKOSA-N 1 2 380.286 2.374 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000363805828 647609144 /nfs/dbraw/zinc/60/91/44/647609144.db2.gz TUYXLAUMZFBYHB-OAHLLOKOSA-N 1 2 380.286 2.374 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366562602 647702423 /nfs/dbraw/zinc/70/24/23/647702423.db2.gz BGAYHUGBINAXER-HNNXBMFYSA-N 1 2 382.302 2.454 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366562602 647702428 /nfs/dbraw/zinc/70/24/28/647702428.db2.gz BGAYHUGBINAXER-HNNXBMFYSA-N 1 2 382.302 2.454 20 0 GEADLO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)sc1S(N)(=O)=O ZINC000367219139 647724544 /nfs/dbraw/zinc/72/45/44/647724544.db2.gz LYLAMBFDUKAAKV-OLZOCXBDSA-N 1 2 388.465 2.234 20 0 GEADLO Cc1nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)sc1S(N)(=O)=O ZINC000367219139 647724556 /nfs/dbraw/zinc/72/45/56/647724556.db2.gz LYLAMBFDUKAAKV-OLZOCXBDSA-N 1 2 388.465 2.234 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+](C)[C@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000372196456 647803912 /nfs/dbraw/zinc/80/39/12/647803912.db2.gz RHBPWUYHTICBIF-MRXNPFEDSA-N 1 2 382.917 2.481 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+](C)[C@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000372196456 647803916 /nfs/dbraw/zinc/80/39/16/647803916.db2.gz RHBPWUYHTICBIF-MRXNPFEDSA-N 1 2 382.917 2.481 20 0 GEADLO Cn1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)nc1Cl ZINC000374315570 647821072 /nfs/dbraw/zinc/82/10/72/647821072.db2.gz VPXVNRSOWASDBJ-GFCCVEGCSA-N 1 2 375.281 2.062 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000374334447 647821505 /nfs/dbraw/zinc/82/15/05/647821505.db2.gz VHBIWCZDLWYTAX-JTQLQIEISA-N 1 2 395.232 2.276 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000374338465 647822118 /nfs/dbraw/zinc/82/21/18/647822118.db2.gz DGRITVIMOMPKRH-NSHDSACASA-N 1 2 377.242 2.137 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)Nc1ccc(Br)cc1Cl ZINC000377729786 647866410 /nfs/dbraw/zinc/86/64/10/647866410.db2.gz WSGRMAAZUPLUAM-MWLCHTKSSA-N 1 2 386.677 2.109 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)Nc1ccc(Br)cc1Cl ZINC000377729786 647866416 /nfs/dbraw/zinc/86/64/16/647866416.db2.gz WSGRMAAZUPLUAM-MWLCHTKSSA-N 1 2 386.677 2.109 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000377822296 647866952 /nfs/dbraw/zinc/86/69/52/647866952.db2.gz WVSSSHQJNFBDDD-UHFFFAOYSA-N 1 2 376.218 2.085 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000378429345 647880257 /nfs/dbraw/zinc/88/02/57/647880257.db2.gz KZOHZZUJHSGPJY-AWEZNQCLSA-N 1 2 389.253 2.086 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000378429345 647880261 /nfs/dbraw/zinc/88/02/61/647880261.db2.gz KZOHZZUJHSGPJY-AWEZNQCLSA-N 1 2 389.253 2.086 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000378482594 647882073 /nfs/dbraw/zinc/88/20/73/647882073.db2.gz FDLQGIQIWDZDRG-GUTXKFCHSA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000378482594 647882076 /nfs/dbraw/zinc/88/20/76/647882076.db2.gz FDLQGIQIWDZDRG-GUTXKFCHSA-N 1 2 392.279 2.386 20 0 GEADLO C[C@@H](NC(=O)Nc1cc2ccc(Br)cn2n1)[C@H](C)[NH+]1CCOCC1 ZINC000482189438 647896406 /nfs/dbraw/zinc/89/64/06/647896406.db2.gz XLGNUVIBVPRQFW-NEPJUHHUSA-N 1 2 396.289 2.328 20 0 GEADLO C[C@@H]1CN(C(=O)c2[nH]nc3ccc(I)cc32)C[C@H](C)[N@H+]1C ZINC000408170590 647931807 /nfs/dbraw/zinc/93/18/07/647931807.db2.gz XONWARGVJBSZBZ-AOOOYVTPSA-N 1 2 398.248 2.332 20 0 GEADLO C[C@@H]1CN(C(=O)c2[nH]nc3ccc(I)cc32)C[C@H](C)[N@@H+]1C ZINC000408170590 647931811 /nfs/dbraw/zinc/93/18/11/647931811.db2.gz XONWARGVJBSZBZ-AOOOYVTPSA-N 1 2 398.248 2.332 20 0 GEADLO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000411949876 648038672 /nfs/dbraw/zinc/03/86/72/648038672.db2.gz VVOGPFCWDLFEKL-CYBMUJFWSA-N 1 2 393.285 2.333 20 0 GEADLO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000411949876 648038674 /nfs/dbraw/zinc/03/86/74/648038674.db2.gz VVOGPFCWDLFEKL-CYBMUJFWSA-N 1 2 393.285 2.333 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416649545 648202183 /nfs/dbraw/zinc/20/21/83/648202183.db2.gz ACJVCKNNOHFBTB-MNOVXSKESA-N 1 2 398.859 2.017 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[C@@H](C)C[N@H+]1CCO ZINC000416649545 648202187 /nfs/dbraw/zinc/20/21/87/648202187.db2.gz ACJVCKNNOHFBTB-MNOVXSKESA-N 1 2 398.859 2.017 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419208579 648341610 /nfs/dbraw/zinc/34/16/10/648341610.db2.gz RDUJUTGIVHFDTE-GFCCVEGCSA-N 1 2 384.889 2.000 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419208579 648341615 /nfs/dbraw/zinc/34/16/15/648341615.db2.gz RDUJUTGIVHFDTE-GFCCVEGCSA-N 1 2 384.889 2.000 20 0 GEADLO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(Cl)cc(Br)c1O ZINC000420021115 648396513 /nfs/dbraw/zinc/39/65/13/648396513.db2.gz UAXHKMZRLHVLGZ-AWEZNQCLSA-N 1 2 379.682 2.241 20 0 GEADLO O=S(=O)(NCC[NH+]1CCSCC1)c1cc(Cl)ccc1OC(F)F ZINC000420681692 648434980 /nfs/dbraw/zinc/43/49/80/648434980.db2.gz SLIULBUBDNKRMP-UHFFFAOYSA-N 1 2 386.873 2.269 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)c1 ZINC000422401641 648543084 /nfs/dbraw/zinc/54/30/84/648543084.db2.gz SHRUKIMIHUBCRQ-UHFFFAOYSA-N 1 2 383.279 2.135 20 0 GEADLO Cc1cc(CNC(=O)C(=O)N2CCSC[C@H]2c2nccs2)cc(C)[nH+]1 ZINC000422594290 648561605 /nfs/dbraw/zinc/56/16/05/648561605.db2.gz WGZWVFVKCNBZOI-AWEZNQCLSA-N 1 2 376.507 2.088 20 0 GEADLO CC(C)(CNC(=O)Cc1noc2ccc(Br)cc21)[NH+]1CCOCC1 ZINC000424539029 648633693 /nfs/dbraw/zinc/63/36/93/648633693.db2.gz GYJZCGDZCBJTCR-UHFFFAOYSA-N 1 2 396.285 2.360 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(OC)cc2Cl)CC1 ZINC000425206961 648670646 /nfs/dbraw/zinc/67/06/46/648670646.db2.gz PZJXMFPVSVOHNL-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO CC(C)n1cncc1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000425341993 648673895 /nfs/dbraw/zinc/67/38/95/648673895.db2.gz YAMBWWSGOLJZBJ-UHFFFAOYSA-N 1 2 382.452 2.252 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000427049526 648721173 /nfs/dbraw/zinc/72/11/73/648721173.db2.gz POXSWOGPBJIHLR-LLVKDONJSA-N 1 2 377.242 2.024 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000427056650 648721189 /nfs/dbraw/zinc/72/11/89/648721189.db2.gz INHGPDHOLWMQCL-GFCCVEGCSA-N 1 2 377.242 2.024 20 0 GEADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2csc(Cl)c2Cl)CC1 ZINC000432743382 648779126 /nfs/dbraw/zinc/77/91/26/648779126.db2.gz ZAJBSRQVQKWKJP-GFCCVEGCSA-N 1 2 392.352 2.420 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2O)CC[N@@H+]1CC(C)(C)O ZINC000436863990 648798650 /nfs/dbraw/zinc/79/86/50/648798650.db2.gz MEHINWBEJYEPDA-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2O)CC[N@H+]1CC(C)(C)O ZINC000436863990 648798653 /nfs/dbraw/zinc/79/86/53/648798653.db2.gz MEHINWBEJYEPDA-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2O)CC[N@@H+]1CC(C)(C)O ZINC000436863991 648798757 /nfs/dbraw/zinc/79/87/57/648798757.db2.gz MEHINWBEJYEPDA-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2O)CC[N@H+]1CC(C)(C)O ZINC000436863991 648798763 /nfs/dbraw/zinc/79/87/63/648798763.db2.gz MEHINWBEJYEPDA-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO CO[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000443046206 648857199 /nfs/dbraw/zinc/85/71/99/648857199.db2.gz SRIVGSNWCDMMPN-CSMYWGQOSA-N 1 2 376.469 2.443 20 0 GEADLO CO[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000443046206 648857205 /nfs/dbraw/zinc/85/72/05/648857205.db2.gz SRIVGSNWCDMMPN-CSMYWGQOSA-N 1 2 376.469 2.443 20 0 GEADLO Cc1csc(-c2cccc(S(=O)(=O)NCC[NH+]3CCSCC3)c2)n1 ZINC000548766402 651085152 /nfs/dbraw/zinc/08/51/52/651085152.db2.gz JRXXVRDABMSIFQ-UHFFFAOYSA-N 1 2 383.564 2.446 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCc3c(Br)ccc(F)c3C2)C1 ZINC000548915018 651089175 /nfs/dbraw/zinc/08/91/75/651089175.db2.gz JVAHQNJDKNVZAQ-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCc3c(Br)ccc(F)c3C2)C1 ZINC000548915018 651089177 /nfs/dbraw/zinc/08/91/77/651089177.db2.gz JVAHQNJDKNVZAQ-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000549812358 651101179 /nfs/dbraw/zinc/10/11/79/651101179.db2.gz BLYGYCRGBMKMHE-UHFFFAOYSA-N 1 2 376.469 2.497 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000549812358 651101180 /nfs/dbraw/zinc/10/11/80/651101180.db2.gz BLYGYCRGBMKMHE-UHFFFAOYSA-N 1 2 376.469 2.497 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000549926311 651103425 /nfs/dbraw/zinc/10/34/25/651103425.db2.gz TWKCQOPUFOARSL-AOOOYVTPSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000549926311 651103429 /nfs/dbraw/zinc/10/34/29/651103429.db2.gz TWKCQOPUFOARSL-AOOOYVTPSA-N 1 2 395.294 2.310 20 0 GEADLO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCc3ccc(Br)cc3C2)C[C@@H](C)O1 ZINC000551747600 651131467 /nfs/dbraw/zinc/13/14/67/651131467.db2.gz CWCVLOYXGMPXGY-LBTNJELSSA-N 1 2 383.330 2.277 20 0 GEADLO C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCc3ccc(Br)cc3C2)C[C@@H](C)O1 ZINC000551747600 651131468 /nfs/dbraw/zinc/13/14/68/651131468.db2.gz CWCVLOYXGMPXGY-LBTNJELSSA-N 1 2 383.330 2.277 20 0 GEADLO CC[C@@H]1CN(CCCC[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@]1=O ZINC000552017686 651138177 /nfs/dbraw/zinc/13/81/77/651138177.db2.gz VEVCWZUPFARRPR-NZEWSBGGSA-N 1 2 376.632 2.229 20 0 GEADLO CC[C@@H]1CN(CCCC[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@]1=O ZINC000552017686 651138179 /nfs/dbraw/zinc/13/81/79/651138179.db2.gz VEVCWZUPFARRPR-NZEWSBGGSA-N 1 2 376.632 2.229 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1(C)C ZINC000552039061 651138853 /nfs/dbraw/zinc/13/88/53/651138853.db2.gz FLBCMXHKKXJXFQ-UHFFFAOYSA-N 1 2 385.555 2.089 20 0 GEADLO C[N@H+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1(C)C ZINC000552039061 651138855 /nfs/dbraw/zinc/13/88/55/651138855.db2.gz FLBCMXHKKXJXFQ-UHFFFAOYSA-N 1 2 385.555 2.089 20 0 GEADLO C[C@H](NC(=O)NCCc1ccccc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000552331727 651146996 /nfs/dbraw/zinc/14/69/96/651146996.db2.gz JUAHJWXXQCTSMO-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO COc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(Br)c1 ZINC000553066883 651163557 /nfs/dbraw/zinc/16/35/57/651163557.db2.gz UGZKFVHLQMOVOP-OLZOCXBDSA-N 1 2 383.286 2.393 20 0 GEADLO CC(C)c1cc(N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)nc(C(C)C)[nH+]1 ZINC000553267622 651170122 /nfs/dbraw/zinc/17/01/22/651170122.db2.gz AYAKKDQKYHHRAE-GFCCVEGCSA-N 1 2 382.452 2.958 20 0 GEADLO Cc1nn(C)cc1S(=O)(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000553447512 651176231 /nfs/dbraw/zinc/17/62/31/651176231.db2.gz SPNGOLOIRWYTDG-INIZCTEOSA-N 1 2 382.917 2.497 20 0 GEADLO NS(=O)(=O)N1CC[NH+](Cc2cccc(SCc3ccccc3)c2)CC1 ZINC000554238866 651200316 /nfs/dbraw/zinc/20/03/16/651200316.db2.gz JKYBTOLOALZMDX-UHFFFAOYSA-N 1 2 377.535 2.300 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000555837280 651230803 /nfs/dbraw/zinc/23/08/03/651230803.db2.gz CPJYUOSKWLALEH-UHFFFAOYSA-N 1 2 379.766 2.341 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2Br)C1 ZINC000556992188 651259478 /nfs/dbraw/zinc/25/94/78/651259478.db2.gz SPZSEKQWZNXEHW-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2Br)C1 ZINC000556992188 651259482 /nfs/dbraw/zinc/25/94/82/651259482.db2.gz SPZSEKQWZNXEHW-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000557054561 651261175 /nfs/dbraw/zinc/26/11/75/651261175.db2.gz AAPVVUGHPKYWGU-UHFFFAOYSA-N 1 2 393.285 2.199 20 0 GEADLO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000558896740 651287734 /nfs/dbraw/zinc/28/77/34/651287734.db2.gz KLJBFZGTJMFVMP-HOTGVXAUSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000558896740 651287739 /nfs/dbraw/zinc/28/77/39/651287739.db2.gz KLJBFZGTJMFVMP-HOTGVXAUSA-N 1 2 386.286 2.200 20 0 GEADLO Nc1nc(NCCCS(=O)(=O)c2ccc(Cl)cc2)[nH+]c2ccccc12 ZINC000559001302 651289658 /nfs/dbraw/zinc/28/96/58/651289658.db2.gz YMAJBXCWBRPPSF-UHFFFAOYSA-N 1 2 376.869 2.563 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000559341015 651295927 /nfs/dbraw/zinc/29/59/27/651295927.db2.gz IPRRQUPHRSWSNH-LBPRGKRZSA-N 1 2 381.263 2.359 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)ccc2Br)C1 ZINC000560645078 651313270 /nfs/dbraw/zinc/31/32/70/651313270.db2.gz MGRUIAKWCRDTID-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)ccc2Br)C1 ZINC000560645078 651313275 /nfs/dbraw/zinc/31/32/75/651313275.db2.gz MGRUIAKWCRDTID-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)[C@@H]([NH3+])Cc1cn(Cc2cc(Cl)c(C)cc2Br)nn1 ZINC000603252775 651474337 /nfs/dbraw/zinc/47/43/37/651474337.db2.gz SDJAMMDZJBYVIQ-ZDUSSCGKSA-N 1 2 387.665 2.094 20 0 GEADLO CCSc1ccc(Cn2cc(C[C@H]([NH3+])C(=O)OC)nn2)c(Br)c1 ZINC000603261859 651474920 /nfs/dbraw/zinc/47/49/20/651474920.db2.gz WGACLAPVCXVPLO-AWEZNQCLSA-N 1 2 399.314 2.244 20 0 GEADLO C[C@H](CO)[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CCCC1 ZINC000561893457 651484443 /nfs/dbraw/zinc/48/44/43/651484443.db2.gz MKMOTCZZLWSQBT-GFCCVEGCSA-N 1 2 388.917 2.307 20 0 GEADLO C[C@H](CO)[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CCCC1 ZINC000561893457 651484446 /nfs/dbraw/zinc/48/44/46/651484446.db2.gz MKMOTCZZLWSQBT-GFCCVEGCSA-N 1 2 388.917 2.307 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCCOc2cccc(Cl)c2Cl)CCO1 ZINC000726254759 651488540 /nfs/dbraw/zinc/48/85/40/651488540.db2.gz GIYWTMAABRZGOS-LBPRGKRZSA-N 1 2 376.284 2.392 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCOc2cccc(Cl)c2Cl)CCO1 ZINC000726254759 651488546 /nfs/dbraw/zinc/48/85/46/651488546.db2.gz GIYWTMAABRZGOS-LBPRGKRZSA-N 1 2 376.284 2.392 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000726259875 651488784 /nfs/dbraw/zinc/48/87/84/651488784.db2.gz VFXBHRAJHASKDM-WFASDCNBSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000726259875 651488787 /nfs/dbraw/zinc/48/87/87/651488787.db2.gz VFXBHRAJHASKDM-WFASDCNBSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)Cc2ccc(Br)s2)CCO1 ZINC000726258476 651488866 /nfs/dbraw/zinc/48/88/66/651488866.db2.gz KICXFLTYZPQSBV-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)Cc2ccc(Br)s2)CCO1 ZINC000726258476 651488869 /nfs/dbraw/zinc/48/88/69/651488869.db2.gz KICXFLTYZPQSBV-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO O=S(=O)(C[C@@H]1CCCCO1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000562359247 651493312 /nfs/dbraw/zinc/49/33/12/651493312.db2.gz TZWCHRQGXZPBEU-MSOLQXFVSA-N 1 2 384.567 2.093 20 0 GEADLO O=S(=O)(C[C@@H]1CCCCO1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000562359247 651493316 /nfs/dbraw/zinc/49/33/16/651493316.db2.gz TZWCHRQGXZPBEU-MSOLQXFVSA-N 1 2 384.567 2.093 20 0 GEADLO O=S(=O)(Cc1cccc(Br)c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000563137979 651512041 /nfs/dbraw/zinc/51/20/41/651512041.db2.gz BICKIGNVYYNSBY-INIZCTEOSA-N 1 2 396.310 2.320 20 0 GEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Cn1cc(Br)ccc1=O ZINC000727495428 651523156 /nfs/dbraw/zinc/52/31/56/651523156.db2.gz WJKOUAIJIVMVQZ-ZDUSSCGKSA-N 1 2 381.274 2.038 20 0 GEADLO CO[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000728050726 651535657 /nfs/dbraw/zinc/53/56/57/651535657.db2.gz YMVCRNGRUAYAGT-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO CO[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000728050726 651535664 /nfs/dbraw/zinc/53/56/64/651535664.db2.gz YMVCRNGRUAYAGT-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO CC1(C[NH+]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)COC1 ZINC000605434508 651537138 /nfs/dbraw/zinc/53/71/38/651537138.db2.gz LNTDBAXZGARMCI-UHFFFAOYSA-N 1 2 379.309 2.336 20 0 GEADLO CN(C1CC1)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000605591685 651540994 /nfs/dbraw/zinc/54/09/94/651540994.db2.gz VKHYRHRRMCQVOG-CQSZACIVSA-N 1 2 375.897 2.372 20 0 GEADLO CN(C1CC1)S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000605591685 651541001 /nfs/dbraw/zinc/54/10/01/651541001.db2.gz VKHYRHRRMCQVOG-CQSZACIVSA-N 1 2 375.897 2.372 20 0 GEADLO Cc1noc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)n1 ZINC000644546608 651552963 /nfs/dbraw/zinc/55/29/63/651552963.db2.gz IMOIGFLNLBBENM-SNVBAGLBSA-N 1 2 376.638 2.323 20 0 GEADLO O=C(NCc1n[nH]cc1Br)NC1CCN(c2cccc[nH+]2)CC1 ZINC000606490060 651555766 /nfs/dbraw/zinc/55/57/66/651555766.db2.gz XZFZXGUZBJMYDF-UHFFFAOYSA-N 1 2 379.262 2.035 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000564376674 651562783 /nfs/dbraw/zinc/56/27/83/651562783.db2.gz GXBDDTZJGXTDNZ-UHFFFAOYSA-N 1 2 393.270 3.023 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644783474 651569111 /nfs/dbraw/zinc/56/91/11/651569111.db2.gz QCBZRUUCYSHOFQ-ZDUSSCGKSA-N 1 2 396.336 2.490 20 0 GEADLO CC[NH+]1CCC(NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)CC1 ZINC000607610888 651575183 /nfs/dbraw/zinc/57/51/83/651575183.db2.gz FNJGETRHMWBUKC-UHFFFAOYSA-N 1 2 395.859 2.339 20 0 GEADLO C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ncc(Br)cn1 ZINC000644904850 651576722 /nfs/dbraw/zinc/57/67/22/651576722.db2.gz UDSKJNNTEBPIHA-AAEUAGOBSA-N 1 2 391.273 2.273 20 0 GEADLO COc1cc(S(=O)(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)ccc1Cl ZINC000565234966 651589750 /nfs/dbraw/zinc/58/97/50/651589750.db2.gz HYJBKYUSSIABAS-CYBMUJFWSA-N 1 2 388.917 2.222 20 0 GEADLO COc1cc(S(=O)(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)ccc1Cl ZINC000565234966 651589758 /nfs/dbraw/zinc/58/97/58/651589758.db2.gz HYJBKYUSSIABAS-CYBMUJFWSA-N 1 2 388.917 2.222 20 0 GEADLO O=S1(=O)CC[C@]2(C1)CN(c1[nH+]ccc3cc(Br)ccc31)CCO2 ZINC000645343892 651598077 /nfs/dbraw/zinc/59/80/77/651598077.db2.gz OSFXOYTYRMSBRY-MRXNPFEDSA-N 1 2 397.294 2.391 20 0 GEADLO COc1ncc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000645473394 651609409 /nfs/dbraw/zinc/60/94/09/651609409.db2.gz QDWKDXOZVXGIHR-UHFFFAOYSA-N 1 2 382.873 2.086 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cccc(I)c1)[NH+]1CCOCC1 ZINC000609190945 651612824 /nfs/dbraw/zinc/61/28/24/651612824.db2.gz OTBUPSMQVMMJDD-NWDGAFQWSA-N 1 2 388.249 2.130 20 0 GEADLO CCCCNc1cc(N[C@@H](CO)c2cccc(Br)c2)nc(N)[nH+]1 ZINC000566803694 651614239 /nfs/dbraw/zinc/61/42/39/651614239.db2.gz QFQVBTZRVDJLDP-ZDUSSCGKSA-N 1 2 380.290 2.601 20 0 GEADLO CCCCNc1cc(N[C@@H](CO)c2cccc(Br)c2)[nH+]c(N)n1 ZINC000566803694 651614242 /nfs/dbraw/zinc/61/42/42/651614242.db2.gz QFQVBTZRVDJLDP-ZDUSSCGKSA-N 1 2 380.290 2.601 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(Br)cc2C)C1 ZINC000567131541 651617555 /nfs/dbraw/zinc/61/75/55/651617555.db2.gz OBJBRNSAQWWFFZ-CQSZACIVSA-N 1 2 397.313 2.301 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(Br)cc2C)C1 ZINC000567131541 651617560 /nfs/dbraw/zinc/61/75/60/651617560.db2.gz OBJBRNSAQWWFFZ-CQSZACIVSA-N 1 2 397.313 2.301 20 0 GEADLO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000567611328 651629847 /nfs/dbraw/zinc/62/98/47/651629847.db2.gz ZDHMVNVZXVVQND-ZIAGYGMSSA-N 1 2 380.495 2.271 20 0 GEADLO O=C(c1n[nH]c2ccc(I)cc21)N1CC(n2cc[nH+]c2)C1 ZINC000610294180 651654844 /nfs/dbraw/zinc/65/48/44/651654844.db2.gz XHYGCNAUKOATAJ-UHFFFAOYSA-N 1 2 393.188 2.061 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(Br)cc1 ZINC000568189256 651655613 /nfs/dbraw/zinc/65/56/13/651655613.db2.gz BPHXIVUWLVLYGR-QMTHXVAHSA-N 1 2 380.242 2.381 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC000568189256 651655615 /nfs/dbraw/zinc/65/56/15/651655615.db2.gz BPHXIVUWLVLYGR-QMTHXVAHSA-N 1 2 380.242 2.381 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000568202345 651656115 /nfs/dbraw/zinc/65/61/15/651656115.db2.gz KWBYRIZGLVMIRC-HNNXBMFYSA-N 1 2 383.286 2.463 20 0 GEADLO C[C@@H](NC(=O)NCc1ccc(Br)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000732467265 651658496 /nfs/dbraw/zinc/65/84/96/651658496.db2.gz VXLOBPZZCPIKMG-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)cs1 ZINC000610471399 651663462 /nfs/dbraw/zinc/66/34/62/651663462.db2.gz UTJOGKKFSKGCLF-UHFFFAOYSA-N 1 2 379.463 2.012 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000610471416 651663519 /nfs/dbraw/zinc/66/35/19/651663519.db2.gz XJESJSZHDRHAQI-UHFFFAOYSA-N 1 2 379.463 2.012 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000568558165 651671518 /nfs/dbraw/zinc/67/15/18/651671518.db2.gz NJKLJWPKDJMQJA-INIZCTEOSA-N 1 2 390.933 2.062 20 0 GEADLO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)C1 ZINC000568666754 651675678 /nfs/dbraw/zinc/67/56/78/651675678.db2.gz ZZSWSHVAZUZHOA-VBQJREDUSA-N 1 2 384.929 2.302 20 0 GEADLO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)C1 ZINC000568666754 651675682 /nfs/dbraw/zinc/67/56/82/651675682.db2.gz ZZSWSHVAZUZHOA-VBQJREDUSA-N 1 2 384.929 2.302 20 0 GEADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000646652022 651710327 /nfs/dbraw/zinc/71/03/27/651710327.db2.gz URVZEOVOZOEGRN-HZMVEIRTSA-N 1 2 379.298 2.283 20 0 GEADLO O=C(Nc1cc(I)ccc1O)[C@H]1CCn2c[nH+]cc2C1 ZINC000611156703 651711830 /nfs/dbraw/zinc/71/18/30/651711830.db2.gz OWWSGGRUBGBPHE-VIFPVBQESA-N 1 2 383.189 2.394 20 0 GEADLO COc1ccc(NC(=O)NCc2c[nH+]cn2C)c(I)c1 ZINC000570130995 651749059 /nfs/dbraw/zinc/74/90/59/651749059.db2.gz VAJKUPIKUMMEKQ-UHFFFAOYSA-N 1 2 386.193 2.355 20 0 GEADLO O=C(Nc1ccncc1I)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000612757547 651769520 /nfs/dbraw/zinc/76/95/20/651769520.db2.gz IRRWFNDWUBYPQA-LLVKDONJSA-N 1 2 397.220 2.174 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCO1 ZINC000735385757 651780847 /nfs/dbraw/zinc/78/08/47/651780847.db2.gz SQTFVHBVZHIJRE-SNVBAGLBSA-N 1 2 377.329 2.233 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCO1 ZINC000735385757 651780848 /nfs/dbraw/zinc/78/08/48/651780848.db2.gz SQTFVHBVZHIJRE-SNVBAGLBSA-N 1 2 377.329 2.233 20 0 GEADLO C[C@@H]1CSCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000570717219 651786657 /nfs/dbraw/zinc/78/66/57/651786657.db2.gz UNGCAASJPAQBQL-WQVCFCJDSA-N 1 2 381.929 2.165 20 0 GEADLO C[C@@H]1CSCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000570717219 651786658 /nfs/dbraw/zinc/78/66/58/651786658.db2.gz UNGCAASJPAQBQL-WQVCFCJDSA-N 1 2 381.929 2.165 20 0 GEADLO Cc1nc(N2CCN(C(=O)c3cncc(Br)c3C)CC2)cc[nH+]1 ZINC000613500619 651788997 /nfs/dbraw/zinc/78/89/97/651788997.db2.gz QDHFNUCQVOWWMJ-UHFFFAOYSA-N 1 2 376.258 2.213 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000614364955 651824237 /nfs/dbraw/zinc/82/42/37/651824237.db2.gz JAQXVVYODFFYMY-WFASDCNBSA-N 1 2 392.253 2.239 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(SCC(F)(F)F)c3)C[C@H]21 ZINC000571305563 651824881 /nfs/dbraw/zinc/82/48/81/651824881.db2.gz VRCDQGSMPDGZBG-CHWSQXEVSA-N 1 2 375.416 2.281 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(SCC(F)(F)F)c3)C[C@H]21 ZINC000571305563 651824886 /nfs/dbraw/zinc/82/48/86/651824886.db2.gz VRCDQGSMPDGZBG-CHWSQXEVSA-N 1 2 375.416 2.281 20 0 GEADLO C[C@H](CC(N)=O)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000614440840 651827840 /nfs/dbraw/zinc/82/78/40/651827840.db2.gz RIVMLHXJOJQBDR-CYBMUJFWSA-N 1 2 393.285 2.186 20 0 GEADLO O=C(COC(=O)c1ccc(Cl)cn1)N1CC[NH+](Cc2cccs2)CC1 ZINC000736854870 651834975 /nfs/dbraw/zinc/83/49/75/651834975.db2.gz BDBIGJJXDFYEMY-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000649975102 651838561 /nfs/dbraw/zinc/83/85/61/651838561.db2.gz NSUDMSLCZUMHHP-UKRRQHHQSA-N 1 2 397.313 2.494 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000571656388 651846673 /nfs/dbraw/zinc/84/66/73/651846673.db2.gz AWPVTCLTACTSNN-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000571656388 651846675 /nfs/dbraw/zinc/84/66/75/651846675.db2.gz AWPVTCLTACTSNN-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615126914 651849857 /nfs/dbraw/zinc/84/98/57/651849857.db2.gz NEMHEPKKPJNZGP-SWLSCSKDSA-N 1 2 391.269 2.283 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000615202491 651855659 /nfs/dbraw/zinc/85/56/59/651855659.db2.gz DWHPCTKYABFSEV-JTNHKYCSSA-N 1 2 382.233 2.275 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000571869843 651858931 /nfs/dbraw/zinc/85/89/31/651858931.db2.gz JSERRWXDBSGQBF-UHFFFAOYSA-N 1 2 383.495 2.204 20 0 GEADLO O=C1C(=O)N(CN2CCC(n3cc[nH+]c3)CC2)c2cc(Br)ccc21 ZINC000738111184 651881375 /nfs/dbraw/zinc/88/13/75/651881375.db2.gz ZHFBDBJYSREAFC-UHFFFAOYSA-N 1 2 389.253 2.470 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)cc2)C(C)(C)C1 ZINC000651900385 651899931 /nfs/dbraw/zinc/89/99/31/651899931.db2.gz PMDGLQWZJHINNG-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(Br)cc2)C(C)(C)C1 ZINC000651900385 651899932 /nfs/dbraw/zinc/89/99/32/651899932.db2.gz PMDGLQWZJHINNG-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO C[C@](CO)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000616831952 651913241 /nfs/dbraw/zinc/91/32/41/651913241.db2.gz OZCBPQNXTRXZBZ-SJKOYZFVSA-N 1 2 378.270 2.232 20 0 GEADLO C[C@@H]1CCc2c(sc3ncnc(N4CC[NH+](CC[S@@](C)=O)CC4)c23)C1 ZINC000741750701 651957883 /nfs/dbraw/zinc/95/78/83/651957883.db2.gz YDFFUSZSZPSXQB-YMXBGEKHSA-N 1 2 378.567 2.317 20 0 GEADLO CCOCCC[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000741773354 651958637 /nfs/dbraw/zinc/95/86/37/651958637.db2.gz VIUJLUHEMHSKOX-UHFFFAOYSA-N 1 2 380.432 2.438 20 0 GEADLO O=S(=O)(Nc1c[nH+]c2n1CCCC2)c1ccc(OCC(F)(F)F)nc1 ZINC000573535368 651962167 /nfs/dbraw/zinc/96/21/67/651962167.db2.gz PUNVKYAYHYJDLF-UHFFFAOYSA-N 1 2 376.360 2.356 20 0 GEADLO COc1ccc(Br)c(CC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000617730498 651968128 /nfs/dbraw/zinc/96/81/28/651968128.db2.gz NKBALLVCQKPGKA-QWHCGFSZSA-N 1 2 385.302 2.226 20 0 GEADLO COc1ccc(Br)c(CC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000617730498 651968137 /nfs/dbraw/zinc/96/81/37/651968137.db2.gz NKBALLVCQKPGKA-QWHCGFSZSA-N 1 2 385.302 2.226 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)CO1 ZINC000617736038 651968921 /nfs/dbraw/zinc/96/89/21/651968921.db2.gz VWOXQJXDHHSLAZ-VXGBXAGGSA-N 1 2 385.295 2.409 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)CO1 ZINC000617736038 651968929 /nfs/dbraw/zinc/96/89/29/651968929.db2.gz VWOXQJXDHHSLAZ-VXGBXAGGSA-N 1 2 385.295 2.409 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)[C@@H](C)CO1 ZINC000617739963 651969788 /nfs/dbraw/zinc/96/97/88/651969788.db2.gz ABIYVXMEOMSLMY-STQMWFEESA-N 1 2 395.297 2.450 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)[C@@H](C)CO1 ZINC000617739963 651969791 /nfs/dbraw/zinc/96/97/91/651969791.db2.gz ABIYVXMEOMSLMY-STQMWFEESA-N 1 2 395.297 2.450 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1SC(=N)NC1=O)c1ccccc1Cl ZINC000742512494 651990756 /nfs/dbraw/zinc/99/07/56/651990756.db2.gz YHSZKNUVQARVRB-UONOGXRCSA-N 1 2 382.917 2.396 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)CC1SC(=N)NC1=O)c1ccccc1Cl ZINC000742512494 651990760 /nfs/dbraw/zinc/99/07/60/651990760.db2.gz YHSZKNUVQARVRB-UONOGXRCSA-N 1 2 382.917 2.396 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1SC(=N)NC1=O)c1ccccc1Cl ZINC000742512493 651990776 /nfs/dbraw/zinc/99/07/76/651990776.db2.gz YHSZKNUVQARVRB-KGLIPLIRSA-N 1 2 382.917 2.396 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)CC1SC(=N)NC1=O)c1ccccc1Cl ZINC000742512493 651990782 /nfs/dbraw/zinc/99/07/82/651990782.db2.gz YHSZKNUVQARVRB-KGLIPLIRSA-N 1 2 382.917 2.396 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=S)NCc1ccc(OC(F)(F)F)cc1 ZINC000742985201 652007106 /nfs/dbraw/zinc/00/71/06/652007106.db2.gz SSGDDCWJWYHQKL-GFCCVEGCSA-N 1 2 377.432 2.270 20 0 GEADLO CSCCCNC(=S)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000743580817 652023446 /nfs/dbraw/zinc/02/34/46/652023446.db2.gz WIBJYPNXYYYPBF-UHFFFAOYSA-N 1 2 383.583 2.115 20 0 GEADLO C[C@H](O)CNc1cc(N2CCOc3cccc(Br)c3C2)nc[nH+]1 ZINC000656222705 652027315 /nfs/dbraw/zinc/02/73/15/652027315.db2.gz VAAXJMJBPDVMOF-NSHDSACASA-N 1 2 379.258 2.431 20 0 GEADLO C[C@H](O)CNc1cc(N2CCOc3cccc(Br)c3C2)[nH+]cn1 ZINC000656222705 652027324 /nfs/dbraw/zinc/02/73/24/652027324.db2.gz VAAXJMJBPDVMOF-NSHDSACASA-N 1 2 379.258 2.431 20 0 GEADLO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000656247662 652027959 /nfs/dbraw/zinc/02/79/59/652027959.db2.gz ATFQGXNLWHUOKL-UHFFFAOYSA-N 1 2 382.917 2.301 20 0 GEADLO Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000656247662 652027966 /nfs/dbraw/zinc/02/79/66/652027966.db2.gz ATFQGXNLWHUOKL-UHFFFAOYSA-N 1 2 382.917 2.301 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CS(=O)(=O)NC(C)(C)C)n2)C1 ZINC000619155603 652046170 /nfs/dbraw/zinc/04/61/70/652046170.db2.gz JDFQTTKMJDKDKJ-GFCCVEGCSA-N 1 2 388.559 2.031 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CS(=O)(=O)NC(C)(C)C)n2)C1 ZINC000619155603 652046176 /nfs/dbraw/zinc/04/61/76/652046176.db2.gz JDFQTTKMJDKDKJ-GFCCVEGCSA-N 1 2 388.559 2.031 20 0 GEADLO COc1cccc(S(=O)(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000656736289 652054916 /nfs/dbraw/zinc/05/49/16/652054916.db2.gz LOZWAYOLHCMCTH-UHFFFAOYSA-N 1 2 381.523 2.478 20 0 GEADLO O=S(=O)(NC[C@H]1CC[NH2+]CC1(F)F)c1ccc(F)c(C(F)(F)F)c1 ZINC000575123012 652063648 /nfs/dbraw/zinc/06/36/48/652063648.db2.gz PNWLMPGTEVPOAL-MRVPVSSYSA-N 1 2 376.322 2.368 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000657028093 652091062 /nfs/dbraw/zinc/09/10/62/652091062.db2.gz ATQIYDRSDMPVAW-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000657028093 652091067 /nfs/dbraw/zinc/09/10/67/652091067.db2.gz ATQIYDRSDMPVAW-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO Oc1cccc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)c1Br ZINC000576347054 652108661 /nfs/dbraw/zinc/10/86/61/652108661.db2.gz WDTIXESPXLYMEM-UHFFFAOYSA-N 1 2 392.301 2.229 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746472379 652109768 /nfs/dbraw/zinc/10/97/68/652109768.db2.gz FDXPOYOAQHJLHB-YYUOZPCZSA-N 1 2 392.352 2.317 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746475317 652109849 /nfs/dbraw/zinc/10/98/49/652109849.db2.gz QWFADJZLZWNFLY-YYUOZPCZSA-N 1 2 392.352 2.317 20 0 GEADLO FC(F)Oc1ccc(NC(=S)NC[C@H]2C[NH+]3CCN2CC3)cc1Cl ZINC000746546059 652113868 /nfs/dbraw/zinc/11/38/68/652113868.db2.gz XXEWJIACEXFIBQ-NSHDSACASA-N 1 2 376.860 2.228 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000576713820 652139462 /nfs/dbraw/zinc/13/94/62/652139462.db2.gz FADPFVPTVOEXQM-CYBMUJFWSA-N 1 2 381.263 2.439 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H](C[C@@H]3COCCO3)C(F)(F)F)sc2C1 ZINC000621277197 652141594 /nfs/dbraw/zinc/14/15/94/652141594.db2.gz CPHVXORCUXLING-NXEZZACHSA-N 1 2 379.404 2.054 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)[C@@H](C[C@@H]3COCCO3)C(F)(F)F)sc2C1 ZINC000621277197 652141604 /nfs/dbraw/zinc/14/16/04/652141604.db2.gz CPHVXORCUXLING-NXEZZACHSA-N 1 2 379.404 2.054 20 0 GEADLO O=S1(=O)CCC[C@H](C[N@@H+](CCO)Cc2ccc(Br)s2)C1 ZINC000576761689 652143424 /nfs/dbraw/zinc/14/34/24/652143424.db2.gz TUOZLPMUJXPPBX-LLVKDONJSA-N 1 2 382.345 2.130 20 0 GEADLO O=S1(=O)CCC[C@H](C[N@H+](CCO)Cc2ccc(Br)s2)C1 ZINC000576761689 652143427 /nfs/dbraw/zinc/14/34/27/652143427.db2.gz TUOZLPMUJXPPBX-LLVKDONJSA-N 1 2 382.345 2.130 20 0 GEADLO C[C@H](CNC(=O)c1cn(-c2ccccc2Br)nn1)Cn1cc[nH+]c1 ZINC000747401147 652163333 /nfs/dbraw/zinc/16/33/33/652163333.db2.gz RQWWNZLPYBTTEG-GFCCVEGCSA-N 1 2 389.257 2.292 20 0 GEADLO Cc1c(Br)cncc1CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000657418737 652164178 /nfs/dbraw/zinc/16/41/78/652164178.db2.gz RYQVGCBMRVVADQ-UHFFFAOYSA-N 1 2 380.290 2.293 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000622048591 652181287 /nfs/dbraw/zinc/18/12/87/652181287.db2.gz PMPSHNYJNMMVGN-VXGBXAGGSA-N 1 2 397.269 2.113 20 0 GEADLO CCOC(=O)COCC[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000577444689 652187777 /nfs/dbraw/zinc/18/77/77/652187777.db2.gz HLDYAQVGJBVCRN-UHFFFAOYSA-N 1 2 397.273 2.041 20 0 GEADLO CCOC(=O)COCC[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000577444689 652187786 /nfs/dbraw/zinc/18/77/86/652187786.db2.gz HLDYAQVGJBVCRN-UHFFFAOYSA-N 1 2 397.273 2.041 20 0 GEADLO O=C(c1cc2c(cc1Br)OCO2)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000623015977 652214213 /nfs/dbraw/zinc/21/42/13/652214213.db2.gz FDBXAOSPNOXMSE-LBPRGKRZSA-N 1 2 397.269 2.115 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000577770607 652214433 /nfs/dbraw/zinc/21/44/33/652214433.db2.gz RFOCHSKQABHQOC-CYBMUJFWSA-N 1 2 395.301 2.412 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000577770607 652214445 /nfs/dbraw/zinc/21/44/45/652214445.db2.gz RFOCHSKQABHQOC-CYBMUJFWSA-N 1 2 395.301 2.412 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc(Br)cnc1OCC1CC1 ZINC000623258322 652229031 /nfs/dbraw/zinc/22/90/31/652229031.db2.gz OWVXBGIRHRSGTI-GFCCVEGCSA-N 1 2 377.242 2.184 20 0 GEADLO COc1ccc(Br)c2[nH]c(C(=O)N[C@H]3Cc4c[nH+]cn4C3)cc21 ZINC000623275209 652230138 /nfs/dbraw/zinc/23/01/38/652230138.db2.gz CKYFPLKQPJPXCH-VIFPVBQESA-N 1 2 375.226 2.490 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000623270588 652230164 /nfs/dbraw/zinc/23/01/64/652230164.db2.gz JSEFAEKSONUBGL-GXFFZTMASA-N 1 2 379.247 2.284 20 0 GEADLO C[C@@H]1CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@@H](C)C1(F)F ZINC000623492692 652241483 /nfs/dbraw/zinc/24/14/83/652241483.db2.gz GWBVFMXNNFLSEE-IIAWOOMASA-N 1 2 377.501 2.127 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@@H](NCc2nc(C(N)=O)cs2)c2ccc(Cl)cc2)C1 ZINC000658233228 652246038 /nfs/dbraw/zinc/24/60/38/652246038.db2.gz PFIACNWYBLUJPX-ZBFHGGJFSA-N 1 2 380.901 2.057 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@@H](NCc2nc(C(N)=O)cs2)c2ccc(Cl)cc2)C1 ZINC000658233228 652246047 /nfs/dbraw/zinc/24/60/47/652246047.db2.gz PFIACNWYBLUJPX-ZBFHGGJFSA-N 1 2 380.901 2.057 20 0 GEADLO S=C(NC[C@@H]1CCOC1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000749640530 652260140 /nfs/dbraw/zinc/26/01/40/652260140.db2.gz PGFUSPFEDSZTOL-HNNXBMFYSA-N 1 2 383.945 2.247 20 0 GEADLO O=C1[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)CCN1C1CCC1 ZINC000623842296 652264257 /nfs/dbraw/zinc/26/42/57/652264257.db2.gz KGMZDQQQELTCHT-OAHLLOKOSA-N 1 2 390.285 2.273 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc(CS(N)(=O)=O)c2)n1 ZINC000749737089 652264342 /nfs/dbraw/zinc/26/43/42/652264342.db2.gz QTEULTIPYYWEBB-UHFFFAOYSA-N 1 2 382.511 2.026 20 0 GEADLO C[N@H+](CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C1CC(C)(C)C1 ZINC000578440482 652273128 /nfs/dbraw/zinc/27/31/28/652273128.db2.gz CQXRAJUBIZFDLW-AWEZNQCLSA-N 1 2 384.567 2.384 20 0 GEADLO C[N@@H+](CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C1CC(C)(C)C1 ZINC000578440482 652273135 /nfs/dbraw/zinc/27/31/35/652273135.db2.gz CQXRAJUBIZFDLW-AWEZNQCLSA-N 1 2 384.567 2.384 20 0 GEADLO O=C(CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)NCC(F)(F)F ZINC000624330932 652281998 /nfs/dbraw/zinc/28/19/98/652281998.db2.gz JCMDMBLPTGBRHS-ZDUSSCGKSA-N 1 2 377.794 2.099 20 0 GEADLO O=C(CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)NCC(F)(F)F ZINC000624330932 652282009 /nfs/dbraw/zinc/28/20/09/652282009.db2.gz JCMDMBLPTGBRHS-ZDUSSCGKSA-N 1 2 377.794 2.099 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCC[C@]2(CCSC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000579196548 652323834 /nfs/dbraw/zinc/32/38/34/652323834.db2.gz MAIRRRJQGJRBQY-JZXOWHBKSA-N 1 2 388.599 2.020 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCC[C@]2(CCSC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000579196548 652323838 /nfs/dbraw/zinc/32/38/38/652323838.db2.gz MAIRRRJQGJRBQY-JZXOWHBKSA-N 1 2 388.599 2.020 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000751416939 652346297 /nfs/dbraw/zinc/34/62/97/652346297.db2.gz FEDSBMGWHMCQIN-CYBMUJFWSA-N 1 2 379.309 2.071 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625506203 652350748 /nfs/dbraw/zinc/35/07/48/652350748.db2.gz LUBQRPNYBOACHL-UHFFFAOYSA-N 1 2 388.917 2.224 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c(Br)c1 ZINC000579763822 652352923 /nfs/dbraw/zinc/35/29/23/652352923.db2.gz KXUMFGKPDWYCSL-AWEZNQCLSA-N 1 2 391.331 2.360 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c(Br)c1 ZINC000579763822 652352926 /nfs/dbraw/zinc/35/29/26/652352926.db2.gz KXUMFGKPDWYCSL-AWEZNQCLSA-N 1 2 391.331 2.360 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)s2)C1 ZINC000579894079 652359722 /nfs/dbraw/zinc/35/97/22/652359722.db2.gz JPTLWMLLJKMGCG-JTQLQIEISA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)s2)C1 ZINC000579894079 652359727 /nfs/dbraw/zinc/35/97/27/652359727.db2.gz JPTLWMLLJKMGCG-JTQLQIEISA-N 1 2 375.288 2.125 20 0 GEADLO C[C@@H]1CN(CC[NH+]2CCN(c3ccc(Br)cn3)CC2)C[C@H](C)O1 ZINC000659825617 652367067 /nfs/dbraw/zinc/36/70/67/652367067.db2.gz CPGLBSSDXBDDHL-GASCZTMLSA-N 1 2 383.334 2.075 20 0 GEADLO COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCN1C(=O)CN(C)C1=O ZINC000625795851 652371605 /nfs/dbraw/zinc/37/16/05/652371605.db2.gz ZXMDVSWFSQTJCS-CQSZACIVSA-N 1 2 396.285 2.489 20 0 GEADLO COc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCN1C(=O)CN(C)C1=O ZINC000625795851 652371607 /nfs/dbraw/zinc/37/16/07/652371607.db2.gz ZXMDVSWFSQTJCS-CQSZACIVSA-N 1 2 396.285 2.489 20 0 GEADLO CO[C@H]1CC[N@H+](CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000751945355 652372629 /nfs/dbraw/zinc/37/26/29/652372629.db2.gz MIGRDHCWFCFNDT-WMLDXEAASA-N 1 2 381.270 2.144 20 0 GEADLO CO[C@H]1CC[N@@H+](CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000751945355 652372634 /nfs/dbraw/zinc/37/26/34/652372634.db2.gz MIGRDHCWFCFNDT-WMLDXEAASA-N 1 2 381.270 2.144 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000626168667 652383011 /nfs/dbraw/zinc/38/30/11/652383011.db2.gz XAEDSYWESMOJKU-GFCCVEGCSA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000626168667 652383013 /nfs/dbraw/zinc/38/30/13/652383013.db2.gz XAEDSYWESMOJKU-GFCCVEGCSA-N 1 2 379.295 2.349 20 0 GEADLO C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752941059 652396651 /nfs/dbraw/zinc/39/66/51/652396651.db2.gz NPRBVPJRLWHLLG-BFQNTYOBSA-N 1 2 390.311 2.435 20 0 GEADLO C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752941059 652396653 /nfs/dbraw/zinc/39/66/53/652396653.db2.gz NPRBVPJRLWHLLG-BFQNTYOBSA-N 1 2 390.311 2.435 20 0 GEADLO CC(C)(CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)CC(F)(F)F ZINC000660445662 652402511 /nfs/dbraw/zinc/40/25/11/652402511.db2.gz AYYXFTWUXJXXSW-HNNXBMFYSA-N 1 2 383.480 2.472 20 0 GEADLO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660474879 652403534 /nfs/dbraw/zinc/40/35/34/652403534.db2.gz OEXOXCYYHZZVNN-WMLDXEAASA-N 1 2 396.329 2.496 20 0 GEADLO NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)co1 ZINC000660481546 652403837 /nfs/dbraw/zinc/40/38/37/652403837.db2.gz QLIFVTVGHOTRAA-GFCCVEGCSA-N 1 2 387.255 2.303 20 0 GEADLO C[C@H](NC(=O)N[C@H](CO)c1cccc(Cl)c1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000660707098 652410984 /nfs/dbraw/zinc/41/09/84/652410984.db2.gz LXCOOUYKERTIHQ-SLEUVZQESA-N 1 2 390.311 2.435 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c(Br)c1 ZINC000661139571 652420135 /nfs/dbraw/zinc/42/01/35/652420135.db2.gz BLAWTOIOTZCFDS-CYBMUJFWSA-N 1 2 378.274 2.310 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c(Br)c1 ZINC000661139571 652420139 /nfs/dbraw/zinc/42/01/39/652420139.db2.gz BLAWTOIOTZCFDS-CYBMUJFWSA-N 1 2 378.274 2.310 20 0 GEADLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)C2COC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581702549 652422307 /nfs/dbraw/zinc/42/23/07/652422307.db2.gz SCWKNUYXOZCMGA-JKSUJKDBSA-N 1 2 376.881 2.321 20 0 GEADLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)C2COC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581702549 652422309 /nfs/dbraw/zinc/42/23/09/652422309.db2.gz SCWKNUYXOZCMGA-JKSUJKDBSA-N 1 2 376.881 2.321 20 0 GEADLO C[C@H]1COCC[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000753988618 652422322 /nfs/dbraw/zinc/42/23/22/652422322.db2.gz YKGDLJLUOXSAQW-SJKOYZFVSA-N 1 2 396.285 2.142 20 0 GEADLO C[C@H]1COCC[N@@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000753988618 652422325 /nfs/dbraw/zinc/42/23/25/652422325.db2.gz YKGDLJLUOXSAQW-SJKOYZFVSA-N 1 2 396.285 2.142 20 0 GEADLO CS(=O)(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2F)C[C@H]1C(F)(F)F ZINC000661190180 652423215 /nfs/dbraw/zinc/42/32/15/652423215.db2.gz YRKCPSDXQOGHOZ-ZWNOBZJWSA-N 1 2 382.379 2.062 20 0 GEADLO CS(=O)(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2F)C[C@H]1C(F)(F)F ZINC000661190180 652423217 /nfs/dbraw/zinc/42/32/17/652423217.db2.gz YRKCPSDXQOGHOZ-ZWNOBZJWSA-N 1 2 382.379 2.062 20 0 GEADLO Cc1ccnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1Br ZINC000581762777 652424907 /nfs/dbraw/zinc/42/49/07/652424907.db2.gz XDSDQOFECHLOPV-UHFFFAOYSA-N 1 2 388.273 2.156 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(c2cncc(SCc3ccccc3)n2)CC1 ZINC000754058626 652425982 /nfs/dbraw/zinc/42/59/82/652425982.db2.gz YWHHHIWPIDFGCQ-VWLOTQADSA-N 1 2 376.551 2.269 20 0 GEADLO Brc1cc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc2c1OCO2 ZINC000582011294 652431766 /nfs/dbraw/zinc/43/17/66/652431766.db2.gz WXFAAMNYUUJGBC-CQSZACIVSA-N 1 2 383.286 2.474 20 0 GEADLO Brc1cc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)cc2c1OCO2 ZINC000582011294 652431771 /nfs/dbraw/zinc/43/17/71/652431771.db2.gz WXFAAMNYUUJGBC-CQSZACIVSA-N 1 2 383.286 2.474 20 0 GEADLO C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C[C@H]1COCCO1 ZINC000661611156 652435376 /nfs/dbraw/zinc/43/53/76/652435376.db2.gz VOMKSQPWDQIGER-JTQLQIEISA-N 1 2 379.201 2.013 20 0 GEADLO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C[C@H]1COCCO1 ZINC000661611156 652435377 /nfs/dbraw/zinc/43/53/77/652435377.db2.gz VOMKSQPWDQIGER-JTQLQIEISA-N 1 2 379.201 2.013 20 0 GEADLO C[C@@H]1C[NH+](CCS(=O)(=O)c2cccc(Br)c2)C[C@@H](C)C1O ZINC000661631908 652436114 /nfs/dbraw/zinc/43/61/14/652436114.db2.gz RNQWYXGQNSLXNE-VXGBXAGGSA-N 1 2 376.316 2.172 20 0 GEADLO O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1CC[NH+](CCCF)CC1 ZINC000627958166 652445381 /nfs/dbraw/zinc/44/53/81/652445381.db2.gz IYKIFQUCECAEEI-UHFFFAOYSA-N 1 2 396.260 2.408 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000662016350 652445478 /nfs/dbraw/zinc/44/54/78/652445478.db2.gz HZWVLPJAKLGONQ-GFCCVEGCSA-N 1 2 384.274 2.366 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000662016350 652445480 /nfs/dbraw/zinc/44/54/80/652445480.db2.gz HZWVLPJAKLGONQ-GFCCVEGCSA-N 1 2 384.274 2.366 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+][C@@H](CO)c3cccc(Cl)c3Cl)C2=O)n(C)n1 ZINC000662052959 652446703 /nfs/dbraw/zinc/44/67/03/652446703.db2.gz VUERSNSIHGMEPO-KBPBESRZSA-N 1 2 383.279 2.464 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](CN2CCCC2=O)C1)Nc1ccc(Br)cc1F ZINC000662054195 652446770 /nfs/dbraw/zinc/44/67/70/652446770.db2.gz DUJZARYPJOIUDV-LBPRGKRZSA-N 1 2 398.276 2.471 20 0 GEADLO O=C(C[N@H+]1CC[C@H](CN2CCCC2=O)C1)Nc1ccc(Br)cc1F ZINC000662054195 652446773 /nfs/dbraw/zinc/44/67/73/652446773.db2.gz DUJZARYPJOIUDV-LBPRGKRZSA-N 1 2 398.276 2.471 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000582362770 652447560 /nfs/dbraw/zinc/44/75/60/652447560.db2.gz VENRRNPHKNFRHZ-CABCVRRESA-N 1 2 392.253 2.103 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000582362770 652447564 /nfs/dbraw/zinc/44/75/64/652447564.db2.gz VENRRNPHKNFRHZ-CABCVRRESA-N 1 2 392.253 2.103 20 0 GEADLO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000662200436 652451739 /nfs/dbraw/zinc/45/17/39/652451739.db2.gz BCNWBVJEYOZGAB-HOTGVXAUSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000662200436 652451741 /nfs/dbraw/zinc/45/17/41/652451741.db2.gz BCNWBVJEYOZGAB-HOTGVXAUSA-N 1 2 386.286 2.200 20 0 GEADLO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000582495780 652452747 /nfs/dbraw/zinc/45/27/47/652452747.db2.gz AARPBRFVOSUBCR-NSHDSACASA-N 1 2 378.416 2.067 20 0 GEADLO C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000582495780 652452748 /nfs/dbraw/zinc/45/27/48/652452748.db2.gz AARPBRFVOSUBCR-NSHDSACASA-N 1 2 378.416 2.067 20 0 GEADLO Cc1cc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)ncc1Br ZINC000628139069 652452877 /nfs/dbraw/zinc/45/28/77/652452877.db2.gz VSHNHKAZYLWXSR-AWEZNQCLSA-N 1 2 390.347 2.446 20 0 GEADLO Cc1cc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)ncc1Br ZINC000628139069 652452880 /nfs/dbraw/zinc/45/28/80/652452880.db2.gz VSHNHKAZYLWXSR-AWEZNQCLSA-N 1 2 390.347 2.446 20 0 GEADLO CC1(C)CN(C[C@H](O)C[NH+]2CCOCC2)c2ccc(Br)cc2O1 ZINC000662328182 652456171 /nfs/dbraw/zinc/45/61/71/652456171.db2.gz PANDGMJTMBVKRX-CQSZACIVSA-N 1 2 385.302 2.120 20 0 GEADLO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1cscn1 ZINC000582736856 652460877 /nfs/dbraw/zinc/46/08/77/652460877.db2.gz KJHMPYISZZJPRF-MRVPVSSYSA-N 1 2 376.301 2.404 20 0 GEADLO CC1(C)C[NH+](CC(=O)N[C@@]2(CO)CCc3cc(Br)ccc3C2)C1 ZINC000628682272 652468612 /nfs/dbraw/zinc/46/86/12/652468612.db2.gz NPAOTTWUBBDRCY-SFHVURJKSA-N 1 2 381.314 2.127 20 0 GEADLO CN(C)c1cc(COC(=O)c2cnn3cc(Br)cnc23)cc[nH+]1 ZINC000755913919 652481285 /nfs/dbraw/zinc/48/12/85/652481285.db2.gz NRMMGBQSQCVKSF-UHFFFAOYSA-N 1 2 376.214 2.310 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)CC1CC1 ZINC000756039909 652485875 /nfs/dbraw/zinc/48/58/75/652485875.db2.gz MBXNIXGXQUDCOY-UHFFFAOYSA-N 1 2 389.308 2.489 20 0 GEADLO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccn2cc[nH+]c2c1 ZINC000583660303 652493168 /nfs/dbraw/zinc/49/31/68/652493168.db2.gz QBFZKBYVOUDYOG-UHFFFAOYSA-N 1 2 399.204 2.332 20 0 GEADLO Brc1ccc(-c2nc(CN[C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)n[nH]2)cc1 ZINC000583865857 652500552 /nfs/dbraw/zinc/50/05/52/652500552.db2.gz JUBJASJBBGFOFZ-HOCLYGCPSA-N 1 2 392.301 2.091 20 0 GEADLO Brc1ccc(-c2n[nH]c(CN[C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000583865857 652500557 /nfs/dbraw/zinc/50/05/57/652500557.db2.gz JUBJASJBBGFOFZ-HOCLYGCPSA-N 1 2 392.301 2.091 20 0 GEADLO Cc1nc(NCC(=O)N(C)CCc2ccccn2)c(Br)c(C)[nH+]1 ZINC000663531392 652502941 /nfs/dbraw/zinc/50/29/41/652502941.db2.gz YNXUMDIAZCEYJW-UHFFFAOYSA-N 1 2 378.274 2.364 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2ccc(Br)s2)[C@@H](C)CO1 ZINC000663693204 652509026 /nfs/dbraw/zinc/50/90/26/652509026.db2.gz LYPPSIQQYYBLRB-QWRGUYRKSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(Br)s2)[C@@H](C)CO1 ZINC000663693204 652509029 /nfs/dbraw/zinc/50/90/29/652509029.db2.gz LYPPSIQQYYBLRB-QWRGUYRKSA-N 1 2 376.320 2.419 20 0 GEADLO Cc1nc(NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(Br)c(C)[nH+]1 ZINC000663905634 652515908 /nfs/dbraw/zinc/51/59/08/652515908.db2.gz ISJABJAKUNJTAJ-NWDGAFQWSA-N 1 2 391.335 2.376 20 0 GEADLO Cc1cc(N[C@H]2CCS(=O)(=O)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631037882 652518669 /nfs/dbraw/zinc/51/86/69/652518669.db2.gz JIMJXZPWNTWGSP-ZDUSSCGKSA-N 1 2 382.283 2.235 20 0 GEADLO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000584386728 652519229 /nfs/dbraw/zinc/51/92/29/652519229.db2.gz ZTPUSMCBDVJXSB-BXUZGUMPSA-N 1 2 397.248 2.132 20 0 GEADLO COc1ccc(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)cc1Br ZINC000631058764 652519661 /nfs/dbraw/zinc/51/96/61/652519661.db2.gz FTYSWCCLGAQSPL-CYBMUJFWSA-N 1 2 381.274 2.376 20 0 GEADLO COC[C@H](C)NC(=S)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000757941736 652526159 /nfs/dbraw/zinc/52/61/59/652526159.db2.gz WAUIPKJSEHPHAP-NSHDSACASA-N 1 2 385.331 2.447 20 0 GEADLO O=C(c1cccnc1I)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000758011811 652528448 /nfs/dbraw/zinc/52/84/48/652528448.db2.gz FVUJBHTYUBPERJ-JTQLQIEISA-N 1 2 382.205 2.429 20 0 GEADLO Brc1ccc2c(c1)OCCN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC000664616771 652532590 /nfs/dbraw/zinc/53/25/90/652532590.db2.gz BFGDPEFIQMLOAK-UHFFFAOYSA-N 1 2 391.269 2.475 20 0 GEADLO Brc1ccc2c(c1)OCCN(c1cc(N3CCOCC3)nc[nH+]1)C2 ZINC000664616771 652532595 /nfs/dbraw/zinc/53/25/95/652532595.db2.gz BFGDPEFIQMLOAK-UHFFFAOYSA-N 1 2 391.269 2.475 20 0 GEADLO O=S(=O)(Cc1ncsc1Br)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000631898004 652538908 /nfs/dbraw/zinc/53/89/08/652538908.db2.gz XAEWAFLPCYLZKZ-SNVBAGLBSA-N 1 2 391.316 2.269 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccnc2I)C1 ZINC000758410700 652540442 /nfs/dbraw/zinc/54/04/42/652540442.db2.gz JRAURPBSCDDCOA-JTQLQIEISA-N 1 2 382.205 2.049 20 0 GEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(F)cc1I ZINC000587062306 652544158 /nfs/dbraw/zinc/54/41/58/652544158.db2.gz OVWHENOWDYPTRX-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1c(F)cccc1I ZINC000587056238 652544187 /nfs/dbraw/zinc/54/41/87/652544187.db2.gz FUFCSCLWCOJMLO-SECBINFHSA-N 1 2 385.180 2.372 20 0 GEADLO COc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c(I)c1 ZINC000587056575 652544248 /nfs/dbraw/zinc/54/42/48/652544248.db2.gz JMQOANTUMDEIPP-JTQLQIEISA-N 1 2 397.216 2.241 20 0 GEADLO C[C@@H](NS(=O)(=O)C[C@H]1CCC(F)(F)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000632086693 652550519 /nfs/dbraw/zinc/55/05/19/652550519.db2.gz RGIIGSPYJGXXJW-CABCVRRESA-N 1 2 380.501 2.375 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)CC1 ZINC000665345456 652550666 /nfs/dbraw/zinc/55/06/66/652550666.db2.gz QYGSCAKXQGJKEC-UHFFFAOYSA-N 1 2 390.311 2.484 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000758663803 652551060 /nfs/dbraw/zinc/55/10/60/652551060.db2.gz ZNLZNKSWFAGLMU-MLGOLLRUSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000758663803 652551063 /nfs/dbraw/zinc/55/10/63/652551063.db2.gz ZNLZNKSWFAGLMU-MLGOLLRUSA-N 1 2 390.311 2.437 20 0 GEADLO Cc1cn2cc(NC(=O)CNS(=O)(=O)c3ccc(Cl)s3)ccc2[nH+]1 ZINC000588857680 652557179 /nfs/dbraw/zinc/55/71/79/652557179.db2.gz IMOKRHDJBPDNRD-UHFFFAOYSA-N 1 2 384.870 2.275 20 0 GEADLO O=S(=O)(CCc1ccccc1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632681170 652574663 /nfs/dbraw/zinc/57/46/63/652574663.db2.gz MSJMBGGVAYZWSL-UHFFFAOYSA-N 1 2 377.535 2.297 20 0 GEADLO CO[C@@H](CC(C)C)CS(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680810 652574703 /nfs/dbraw/zinc/57/47/03/652574703.db2.gz VBJFZIMKHWTPSS-INIZCTEOSA-N 1 2 387.571 2.115 20 0 GEADLO CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)[C@@H]1SC ZINC000592103105 652585769 /nfs/dbraw/zinc/58/57/69/652585769.db2.gz BVRRLDYUKKQPCW-INMHGKMJSA-N 1 2 381.523 2.119 20 0 GEADLO Cc1cc(C)c(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c(C)[nH+]1 ZINC000667119086 652592296 /nfs/dbraw/zinc/59/22/96/652592296.db2.gz IESLQASYBUSJBL-RYUDHWBXSA-N 1 2 379.404 2.446 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)C(F)(F)F)n1 ZINC000667160002 652594808 /nfs/dbraw/zinc/59/48/08/652594808.db2.gz NPERFZPAXYYGBF-UTUOFQBUSA-N 1 2 380.436 2.463 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)C(F)(F)F)n1 ZINC000667160002 652594811 /nfs/dbraw/zinc/59/48/11/652594811.db2.gz NPERFZPAXYYGBF-UTUOFQBUSA-N 1 2 380.436 2.463 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000592526555 652598537 /nfs/dbraw/zinc/59/85/37/652598537.db2.gz BKJKQEHLLXFUAU-QWRGUYRKSA-N 1 2 394.212 2.406 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000592526555 652598542 /nfs/dbraw/zinc/59/85/42/652598542.db2.gz BKJKQEHLLXFUAU-QWRGUYRKSA-N 1 2 394.212 2.406 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760431249 652608982 /nfs/dbraw/zinc/60/89/82/652608982.db2.gz WHAOCYMAIOVQEB-JSGCOSHPSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760431249 652608984 /nfs/dbraw/zinc/60/89/84/652608984.db2.gz WHAOCYMAIOVQEB-JSGCOSHPSA-N 1 2 389.308 2.451 20 0 GEADLO OC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2I)C[C@@H]1O ZINC000593026948 652612381 /nfs/dbraw/zinc/61/23/81/652612381.db2.gz ICGCEWOVLYNKBD-RNCFNFMXSA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2I)C[C@@H]1O ZINC000593026948 652612384 /nfs/dbraw/zinc/61/23/84/652612384.db2.gz ICGCEWOVLYNKBD-RNCFNFMXSA-N 1 2 381.641 2.120 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000633767631 652612549 /nfs/dbraw/zinc/61/25/49/652612549.db2.gz WADGBWMMAVSBQK-KBPBESRZSA-N 1 2 378.416 2.002 20 0 GEADLO CCOc1ccc(Br)cc1S(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC000668241051 652634648 /nfs/dbraw/zinc/63/46/48/652634648.db2.gz RLEIWSAZJUCZOR-UHFFFAOYSA-N 1 2 388.287 2.102 20 0 GEADLO CS(=O)(=O)c1csc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000634302971 652636808 /nfs/dbraw/zinc/63/68/08/652636808.db2.gz APHNJIWPBVCWCZ-UHFFFAOYSA-N 1 2 397.547 2.030 20 0 GEADLO Cn1c[nH+]cc1CCN1C(=O)C[C@@]2(CCc3cc(Br)ccc32)C1=O ZINC000634557920 652643229 /nfs/dbraw/zinc/64/32/29/652643229.db2.gz JPSXBQFVIPZLGW-GOSISDBHSA-N 1 2 388.265 2.368 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000668569863 652648416 /nfs/dbraw/zinc/64/84/16/652648416.db2.gz IAGPEMTWVJKWSB-LLVKDONJSA-N 1 2 381.263 2.280 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)C[C@@H]1C ZINC000594464923 652658409 /nfs/dbraw/zinc/65/84/09/652658409.db2.gz BNXOWTJAHVWPCK-WDEREUQCSA-N 1 2 392.880 2.369 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)C[C@@H]1C ZINC000594464923 652658412 /nfs/dbraw/zinc/65/84/12/652658412.db2.gz BNXOWTJAHVWPCK-WDEREUQCSA-N 1 2 392.880 2.369 20 0 GEADLO O=C(CC1CCSCC1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000762014157 652667572 /nfs/dbraw/zinc/66/75/72/652667572.db2.gz ILZSMRRUBJDWRI-UHFFFAOYSA-N 1 2 382.551 2.469 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)c1F ZINC000594576322 652669711 /nfs/dbraw/zinc/66/97/11/652669711.db2.gz IFTMNYUHMVFWRD-JTQLQIEISA-N 1 2 389.836 2.077 20 0 GEADLO Cc1ccc(CNC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1Br ZINC000634868663 652672446 /nfs/dbraw/zinc/67/24/46/652672446.db2.gz MTLOKMLMLRDYNT-UHFFFAOYSA-N 1 2 393.285 2.119 20 0 GEADLO CCn1nnc(C)c1CNc1[nH]c2ccc(I)cc2[nH+]1 ZINC000595000443 652701658 /nfs/dbraw/zinc/70/16/58/652701658.db2.gz LWVAKSPPPDZUNU-UHFFFAOYSA-N 1 2 382.209 2.121 20 0 GEADLO CCn1nnc(C)c1CNc1[nH]c2cc(I)ccc2[nH+]1 ZINC000595000443 652701666 /nfs/dbraw/zinc/70/16/66/652701666.db2.gz LWVAKSPPPDZUNU-UHFFFAOYSA-N 1 2 382.209 2.121 20 0 GEADLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1cc(Cl)nc(Cl)c1 ZINC000762621667 652707268 /nfs/dbraw/zinc/70/72/68/652707268.db2.gz IPTWEIJPUYSYFM-LBPRGKRZSA-N 1 2 375.300 2.371 20 0 GEADLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1cc(Cl)nc(Cl)c1 ZINC000762621667 652707273 /nfs/dbraw/zinc/70/72/73/652707273.db2.gz IPTWEIJPUYSYFM-LBPRGKRZSA-N 1 2 375.300 2.371 20 0 GEADLO O=C(Cc1c(F)ccc(Br)c1F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000669710156 652715139 /nfs/dbraw/zinc/71/51/39/652715139.db2.gz FWKGCLJQSCBAOW-LLVKDONJSA-N 1 2 389.240 2.203 20 0 GEADLO CN(CC(C)(C)S(C)(=O)=O)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000763485664 652759489 /nfs/dbraw/zinc/75/94/89/652759489.db2.gz LEPGZZGEAPGLOX-UHFFFAOYSA-N 1 2 388.559 2.416 20 0 GEADLO CC(C)C[C@H](C(=O)NCCn1cc(Br)ccc1=O)n1cc[nH+]c1 ZINC000635989661 652771172 /nfs/dbraw/zinc/77/11/72/652771172.db2.gz MPKDTJXPNIPCHG-CQSZACIVSA-N 1 2 381.274 2.211 20 0 GEADLO CC(C)C[C@@H](C(=O)NCCn1cc(Br)ccc1=O)n1cc[nH+]c1 ZINC000635989660 652771376 /nfs/dbraw/zinc/77/13/76/652771376.db2.gz MPKDTJXPNIPCHG-AWEZNQCLSA-N 1 2 381.274 2.211 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cncc(Br)c3C)C2)nn1 ZINC000597086947 652774724 /nfs/dbraw/zinc/77/47/24/652774724.db2.gz PEUKMCUMQMRSEA-ZDUSSCGKSA-N 1 2 394.273 2.368 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cncc(Br)c3C)C2)nn1 ZINC000597086947 652774730 /nfs/dbraw/zinc/77/47/30/652774730.db2.gz PEUKMCUMQMRSEA-ZDUSSCGKSA-N 1 2 394.273 2.368 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000636557873 652808513 /nfs/dbraw/zinc/80/85/13/652808513.db2.gz DFBUEHMNFOUOTA-MLGOLLRUSA-N 1 2 390.311 2.437 20 0 GEADLO Cc1c(Br)cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(=O)n1C ZINC000764965018 652816899 /nfs/dbraw/zinc/81/68/99/652816899.db2.gz OVALGKKDFVDPPR-CQSZACIVSA-N 1 2 395.301 2.497 20 0 GEADLO O=C(NCc1sccc1Br)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671959555 652822593 /nfs/dbraw/zinc/82/25/93/652822593.db2.gz VLHUOGVKZLVGLF-NSHDSACASA-N 1 2 397.298 2.187 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(OC)ncc2Br)C1 ZINC000598621259 652824581 /nfs/dbraw/zinc/82/45/81/652824581.db2.gz IRAVMYHQDXJLHU-LLVKDONJSA-N 1 2 375.288 2.191 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](Cc2cc(OC)ncc2Br)C1 ZINC000598621259 652824584 /nfs/dbraw/zinc/82/45/84/652824584.db2.gz IRAVMYHQDXJLHU-LLVKDONJSA-N 1 2 375.288 2.191 20 0 GEADLO Cn1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000672113435 652827292 /nfs/dbraw/zinc/82/72/92/652827292.db2.gz MMKRNAOIVQKRNB-UHFFFAOYSA-N 1 2 378.230 2.315 20 0 GEADLO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672153485 652828273 /nfs/dbraw/zinc/82/82/73/652828273.db2.gz WPONISDYZLTYPO-LBPRGKRZSA-N 1 2 392.253 2.091 20 0 GEADLO CC(C)Nc1nc(N2Cc3cccc(Br)c3C2)nc(NCCO)[nH+]1 ZINC000672253197 652832779 /nfs/dbraw/zinc/83/27/79/652832779.db2.gz QRIGCKHTFABDJP-UHFFFAOYSA-N 1 2 393.289 2.379 20 0 GEADLO CNc1cc(I)ccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598947780 652841717 /nfs/dbraw/zinc/84/17/17/652841717.db2.gz MPKBNKIAIYQZCU-LLVKDONJSA-N 1 2 396.232 2.274 20 0 GEADLO O=C(Cc1ccc(I)cc1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598949946 652842250 /nfs/dbraw/zinc/84/22/50/652842250.db2.gz XQTYQVSNVXHEKL-CYBMUJFWSA-N 1 2 381.217 2.161 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=S)NC2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000765522200 652842642 /nfs/dbraw/zinc/84/26/42/652842642.db2.gz ZPEZBFKDVUTNMV-IRXDYDNUSA-N 1 2 383.945 2.355 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](NC(=S)NC2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000765522200 652842644 /nfs/dbraw/zinc/84/26/44/652842644.db2.gz ZPEZBFKDVUTNMV-IRXDYDNUSA-N 1 2 383.945 2.355 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCc1ccc(Br)c(F)c1F ZINC000637421841 652858516 /nfs/dbraw/zinc/85/85/16/652858516.db2.gz BKVXJHRVZZFSGU-UHFFFAOYSA-N 1 2 392.244 2.201 20 0 GEADLO COC(=O)c1cnc(C[NH2+][C@H](CCO)c2ccccc2Br)cn1 ZINC000599357851 652864028 /nfs/dbraw/zinc/86/40/28/652864028.db2.gz XHPQTPIMMJBLBU-CQSZACIVSA-N 1 2 380.242 2.239 20 0 GEADLO Cc1cc(Br)ccc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766064761 652864406 /nfs/dbraw/zinc/86/44/06/652864406.db2.gz NZHDOKPPSDSQAE-UHFFFAOYSA-N 1 2 378.288 2.188 20 0 GEADLO O=C1C(=O)N(C[N@H+]2CC[C@H](CC(F)(F)F)C2)C(=O)N1Cc1cccs1 ZINC000766118928 652868218 /nfs/dbraw/zinc/86/82/18/652868218.db2.gz OWYSTSOQCYHEHX-SNVBAGLBSA-N 1 2 375.372 2.271 20 0 GEADLO O=C1C(=O)N(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)C(=O)N1Cc1cccs1 ZINC000766118928 652868222 /nfs/dbraw/zinc/86/82/22/652868222.db2.gz OWYSTSOQCYHEHX-SNVBAGLBSA-N 1 2 375.372 2.271 20 0 GEADLO COC(=O)c1cnc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cn1 ZINC000599416189 652869668 /nfs/dbraw/zinc/86/96/68/652869668.db2.gz USKKEQSKDNFBGY-MRXNPFEDSA-N 1 2 380.242 2.023 20 0 GEADLO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000673610227 652873413 /nfs/dbraw/zinc/87/34/13/652873413.db2.gz PDGAMUKTTLBBGA-UHFFFAOYSA-N 1 2 384.307 2.349 20 0 GEADLO C[C@H]1C[NH+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@H](C)S1 ZINC000637978790 652880122 /nfs/dbraw/zinc/88/01/22/652880122.db2.gz RFECUJIMPVDJPI-UWVGGRQHSA-N 1 2 379.345 2.422 20 0 GEADLO COCC[N@H+](CCOc1ccc(F)cc1)Cc1ccc(S(N)(=O)=O)s1 ZINC000638064983 652883193 /nfs/dbraw/zinc/88/31/93/652883193.db2.gz YXNOKFFMHXHIPU-UHFFFAOYSA-N 1 2 388.486 2.062 20 0 GEADLO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(S(N)(=O)=O)s1 ZINC000638064983 652883198 /nfs/dbraw/zinc/88/31/98/652883198.db2.gz YXNOKFFMHXHIPU-UHFFFAOYSA-N 1 2 388.486 2.062 20 0 GEADLO COc1nsc(C[NH2+]Cc2ccc(N3CCOCC3)nc2)c1Br ZINC000638343951 652886324 /nfs/dbraw/zinc/88/63/24/652886324.db2.gz NCDZCUICGKIFJB-UHFFFAOYSA-N 1 2 399.314 2.436 20 0 GEADLO COc1nsc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c1Br ZINC000638584692 652895861 /nfs/dbraw/zinc/89/58/61/652895861.db2.gz MZMDPBSFCFBSHZ-ZCFIWIBFSA-N 1 2 388.209 2.167 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000674368501 652896949 /nfs/dbraw/zinc/89/69/49/652896949.db2.gz OXNZFGKFOVVDKQ-GFCCVEGCSA-N 1 2 386.876 2.459 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674428030 652897794 /nfs/dbraw/zinc/89/77/94/652897794.db2.gz VWYJCVLMDGABEB-MXWKQRLJSA-N 1 2 377.329 2.089 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)n2C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000766848532 652900431 /nfs/dbraw/zinc/90/04/31/652900431.db2.gz CEGPCQTXPYDQTJ-KGLIPLIRSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cnc(Cl)n2C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000766848532 652900433 /nfs/dbraw/zinc/90/04/33/652900433.db2.gz CEGPCQTXPYDQTJ-KGLIPLIRSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@H]1C[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[N@@H+]1C1CC1 ZINC000674688447 652908597 /nfs/dbraw/zinc/90/85/97/652908597.db2.gz ABWXUBWONBNTOL-GXTWGEPZSA-N 1 2 382.913 2.388 20 0 GEADLO C[C@H]1C[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[N@H+]1C1CC1 ZINC000674688447 652908600 /nfs/dbraw/zinc/90/86/00/652908600.db2.gz ABWXUBWONBNTOL-GXTWGEPZSA-N 1 2 382.913 2.388 20 0 GEADLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000675219948 652919464 /nfs/dbraw/zinc/91/94/64/652919464.db2.gz UGTVLYLARUZJEW-HUUCEWRRSA-N 1 2 397.313 2.458 20 0 GEADLO COc1cc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c(Cl)cc1O ZINC000639140505 652922316 /nfs/dbraw/zinc/92/23/16/652922316.db2.gz ZPEZSZZBFRZIOQ-UHFFFAOYSA-N 1 2 388.917 2.444 20 0 GEADLO COc1nsc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1Br ZINC000639161862 652924311 /nfs/dbraw/zinc/92/43/11/652924311.db2.gz NWLLWFYJONXJRX-QWRGUYRKSA-N 1 2 376.320 2.209 20 0 GEADLO COc1nsc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1Br ZINC000639161862 652924315 /nfs/dbraw/zinc/92/43/15/652924315.db2.gz NWLLWFYJONXJRX-QWRGUYRKSA-N 1 2 376.320 2.209 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000639199684 652926925 /nfs/dbraw/zinc/92/69/25/652926925.db2.gz ZGVZEDUYABDWOC-GFCCVEGCSA-N 1 2 375.281 2.284 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000639199684 652926928 /nfs/dbraw/zinc/92/69/28/652926928.db2.gz ZGVZEDUYABDWOC-GFCCVEGCSA-N 1 2 375.281 2.284 20 0 GEADLO COc1nsc(C[N@H+](CCN2CCOCC2)CC2CC2)c1Br ZINC000639329156 652932245 /nfs/dbraw/zinc/93/22/45/652932245.db2.gz HBLWCHJIQBTZED-UHFFFAOYSA-N 1 2 390.347 2.458 20 0 GEADLO COc1nsc(C[N@@H+](CCN2CCOCC2)CC2CC2)c1Br ZINC000639329156 652932250 /nfs/dbraw/zinc/93/22/50/652932250.db2.gz HBLWCHJIQBTZED-UHFFFAOYSA-N 1 2 390.347 2.458 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639586523 652942761 /nfs/dbraw/zinc/94/27/61/652942761.db2.gz NEXOEHUWNXVIJP-DZGCQCFKSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639586523 652942769 /nfs/dbraw/zinc/94/27/69/652942769.db2.gz NEXOEHUWNXVIJP-DZGCQCFKSA-N 1 2 382.309 2.242 20 0 GEADLO COC1CC[NH+](Cc2cn(-c3cccc(I)c3)nn2)CC1 ZINC000600967274 652946349 /nfs/dbraw/zinc/94/63/49/652946349.db2.gz PZTUYOPHOKBZLL-UHFFFAOYSA-N 1 2 398.248 2.483 20 0 GEADLO COc1cc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)cnc1Cl ZINC000767799847 652950915 /nfs/dbraw/zinc/95/09/15/652950915.db2.gz FAACYXMZZQYKNQ-UHFFFAOYSA-N 1 2 380.857 2.221 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(c2nnc(N)o2)CC1 ZINC000639738904 652951254 /nfs/dbraw/zinc/95/12/54/652951254.db2.gz KXJJNVXOPHWYHQ-UHFFFAOYSA-N 1 2 394.273 2.541 20 0 GEADLO COc1coc(C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)cc1=O ZINC000639771869 652953334 /nfs/dbraw/zinc/95/33/34/652953334.db2.gz FQBYQPVCGSYKLB-LBPRGKRZSA-N 1 2 381.226 2.459 20 0 GEADLO COc1coc(C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)cc1=O ZINC000639771869 652953339 /nfs/dbraw/zinc/95/33/39/652953339.db2.gz FQBYQPVCGSYKLB-LBPRGKRZSA-N 1 2 381.226 2.459 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639818189 652957034 /nfs/dbraw/zinc/95/70/34/652957034.db2.gz NCNIKEYZIAWNCT-CABCVRRESA-N 1 2 378.274 2.294 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639818189 652957038 /nfs/dbraw/zinc/95/70/38/652957038.db2.gz NCNIKEYZIAWNCT-CABCVRRESA-N 1 2 378.274 2.294 20 0 GEADLO Cc1[nH]nc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1Br ZINC000616006885 652966841 /nfs/dbraw/zinc/96/68/41/652966841.db2.gz LZTGUOBYPFABSE-ZDUSSCGKSA-N 1 2 379.258 2.320 20 0 GEADLO Cc1[nH]nc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Br ZINC000616006885 652966843 /nfs/dbraw/zinc/96/68/43/652966843.db2.gz LZTGUOBYPFABSE-ZDUSSCGKSA-N 1 2 379.258 2.320 20 0 GEADLO CO[C@@H]1C[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@](C)(CO)C1 ZINC000640005497 653093274 /nfs/dbraw/zinc/09/32/74/653093274.db2.gz WXUQFKRFYLPIAL-YOEHRIQHSA-N 1 2 396.285 2.395 20 0 GEADLO CO[C@@H]1C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@](C)(CO)C1 ZINC000640005497 653093277 /nfs/dbraw/zinc/09/32/77/653093277.db2.gz WXUQFKRFYLPIAL-YOEHRIQHSA-N 1 2 396.285 2.395 20 0 GEADLO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000640123786 653096221 /nfs/dbraw/zinc/09/62/21/653096221.db2.gz DHMIWHHULCFELQ-NSHDSACASA-N 1 2 382.873 2.465 20 0 GEADLO CC[N@@H+](Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)C[C@H]1CCOC1 ZINC000768521769 653115277 /nfs/dbraw/zinc/11/52/77/653115277.db2.gz VDMWNXLWTJAUOJ-ZIAGYGMSSA-N 1 2 375.922 2.063 20 0 GEADLO CC[N@H+](Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)C[C@H]1CCOC1 ZINC000768521769 653115281 /nfs/dbraw/zinc/11/52/81/653115281.db2.gz VDMWNXLWTJAUOJ-ZIAGYGMSSA-N 1 2 375.922 2.063 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1nn(C)cc1Br ZINC000640313357 653117279 /nfs/dbraw/zinc/11/72/79/653117279.db2.gz JLLULOCCQLLHQP-UHFFFAOYSA-N 1 2 383.294 2.886 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000805476059 653118917 /nfs/dbraw/zinc/11/89/17/653118917.db2.gz HSFYLQLLXIMVTL-BXUZGUMPSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000805476059 653118921 /nfs/dbraw/zinc/11/89/21/653118921.db2.gz HSFYLQLLXIMVTL-BXUZGUMPSA-N 1 2 385.258 2.040 20 0 GEADLO C[NH+]1CCN(C(=O)CSc2nnc(NCCc3ccccc3)s2)CC1 ZINC000677826059 653122966 /nfs/dbraw/zinc/12/29/66/653122966.db2.gz RWPCVMZJQWRJNP-UHFFFAOYSA-N 1 2 377.539 2.059 20 0 GEADLO CCOCC[N@H+](C)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000771641400 653123055 /nfs/dbraw/zinc/12/30/55/653123055.db2.gz KRPHBBYDXOMSAE-KRWDZBQOSA-N 1 2 383.286 2.392 20 0 GEADLO CCOCC[N@@H+](C)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000771641400 653123063 /nfs/dbraw/zinc/12/30/63/653123063.db2.gz KRPHBBYDXOMSAE-KRWDZBQOSA-N 1 2 383.286 2.392 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2OC)CC[N@@H+]1CCOC ZINC000678039998 653124390 /nfs/dbraw/zinc/12/43/90/653124390.db2.gz MMBNHDPUBLPEBF-HNNXBMFYSA-N 1 2 390.933 2.470 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2OC)CC[N@H+]1CCOC ZINC000678039998 653124399 /nfs/dbraw/zinc/12/43/99/653124399.db2.gz MMBNHDPUBLPEBF-HNNXBMFYSA-N 1 2 390.933 2.470 20 0 GEADLO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000805804833 653130469 /nfs/dbraw/zinc/13/04/69/653130469.db2.gz FMYIHBIJRWFQHY-UHFFFAOYSA-N 1 2 379.869 2.332 20 0 GEADLO NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000805804833 653130474 /nfs/dbraw/zinc/13/04/74/653130474.db2.gz FMYIHBIJRWFQHY-UHFFFAOYSA-N 1 2 379.869 2.332 20 0 GEADLO Cc1ccc(SCCNC(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000772050121 653137988 /nfs/dbraw/zinc/13/79/88/653137988.db2.gz UUFFZCBXTBDXSW-HNNXBMFYSA-N 1 2 382.551 2.184 20 0 GEADLO Cc1ccc(SCCNC(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000772050121 653137994 /nfs/dbraw/zinc/13/79/94/653137994.db2.gz UUFFZCBXTBDXSW-HNNXBMFYSA-N 1 2 382.551 2.184 20 0 GEADLO O=C(C=C1CCSCC1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000772135026 653140376 /nfs/dbraw/zinc/14/03/76/653140376.db2.gz CCXUOAOARNYKET-UHFFFAOYSA-N 1 2 380.535 2.389 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000772310795 653144908 /nfs/dbraw/zinc/14/49/08/653144908.db2.gz CWENHPOXZZMZOA-UHFFFAOYSA-N 1 2 392.244 2.280 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000772310795 653144913 /nfs/dbraw/zinc/14/49/13/653144913.db2.gz CWENHPOXZZMZOA-UHFFFAOYSA-N 1 2 392.244 2.280 20 0 GEADLO COC(=O)Cc1csc(N(C)C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)n1 ZINC000602095525 653147279 /nfs/dbraw/zinc/14/72/79/653147279.db2.gz ABMFXAIZHQKGMV-SNVBAGLBSA-N 1 2 376.360 2.212 20 0 GEADLO CCOc1cc(CN2CC[NH+](CC[S@](C)=O)CC2)ccc1OC(F)F ZINC000769480609 653159294 /nfs/dbraw/zinc/15/92/94/653159294.db2.gz NJERAXOFPNEACO-VWLOTQADSA-N 1 2 376.469 2.183 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn(CCc3cccc(Cl)c3Cl)nn2)C1 ZINC000641138405 653161936 /nfs/dbraw/zinc/16/19/36/653161936.db2.gz OJMMTCWVAVPORU-LBPRGKRZSA-N 1 2 389.308 2.104 20 0 GEADLO COc1nc(Br)ccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000806450928 653163452 /nfs/dbraw/zinc/16/34/52/653163452.db2.gz BULUYTURNANMRB-RYUDHWBXSA-N 1 2 399.289 2.180 20 0 GEADLO O=C1Nc2ccc(Br)cc2CC[C@@H]1n1cc(Cn2cc[nH+]c2)nn1 ZINC000641164273 653164542 /nfs/dbraw/zinc/16/45/42/653164542.db2.gz FVYXLDDYKBBPOJ-HNNXBMFYSA-N 1 2 387.241 2.411 20 0 GEADLO C[C@H]1COCCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000772825671 653167873 /nfs/dbraw/zinc/16/78/73/653167873.db2.gz WUBKVZHXMHIBIM-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1COCCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000772825671 653167878 /nfs/dbraw/zinc/16/78/78/653167878.db2.gz WUBKVZHXMHIBIM-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO CC[N@H+](Cc1ccc(I)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000602430993 653180122 /nfs/dbraw/zinc/18/01/22/653180122.db2.gz BACHXYLIJKBJEI-SECBINFHSA-N 1 2 385.292 2.362 20 0 GEADLO CC[N@@H+](Cc1ccc(I)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000602430993 653180127 /nfs/dbraw/zinc/18/01/27/653180127.db2.gz BACHXYLIJKBJEI-SECBINFHSA-N 1 2 385.292 2.362 20 0 GEADLO CSCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000807060528 653183030 /nfs/dbraw/zinc/18/30/30/653183030.db2.gz XNELSXJJMYUQHN-VBNZEHGJSA-N 1 2 383.945 2.459 20 0 GEADLO CSCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000807060528 653183035 /nfs/dbraw/zinc/18/30/35/653183035.db2.gz XNELSXJJMYUQHN-VBNZEHGJSA-N 1 2 383.945 2.459 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000807280191 653188095 /nfs/dbraw/zinc/18/80/95/653188095.db2.gz HQEQYEFWHUWUEE-AWEZNQCLSA-N 1 2 391.225 2.099 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)c(Cl)c1 ZINC000807280142 653188535 /nfs/dbraw/zinc/18/85/35/653188535.db2.gz CWKDTQWHXBEKPH-LBPRGKRZSA-N 1 2 386.633 2.271 20 0 GEADLO C[C@H](Cc1ccc(F)c(Br)c1)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641384323 653196000 /nfs/dbraw/zinc/19/60/00/653196000.db2.gz ZFAWAFSNADFJDP-LLVKDONJSA-N 1 2 390.278 2.335 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000641386837 653196506 /nfs/dbraw/zinc/19/65/06/653196506.db2.gz LKFQMDQLBDLUJJ-CQSZACIVSA-N 1 2 380.539 2.428 20 0 GEADLO CN1CC[C@H](NS(=O)(=O)CCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000641392807 653197598 /nfs/dbraw/zinc/19/75/98/653197598.db2.gz FJYOOPNOTGQDEU-JKSUJKDBSA-N 1 2 386.880 2.040 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCCc1c[nH]c2cccc(Br)c12 ZINC000641497482 653214599 /nfs/dbraw/zinc/21/45/99/653214599.db2.gz BOZQFYFXYHBOQS-UHFFFAOYSA-N 1 2 397.298 2.289 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2cc(Br)ccn2)C1 ZINC000641511086 653215685 /nfs/dbraw/zinc/21/56/85/653215685.db2.gz PHYKSNSANPAZJA-UHFFFAOYSA-N 1 2 396.310 2.311 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2cc(Br)ccn2)C1 ZINC000641511086 653215691 /nfs/dbraw/zinc/21/56/91/653215691.db2.gz PHYKSNSANPAZJA-UHFFFAOYSA-N 1 2 396.310 2.311 20 0 GEADLO FC(F)(F)CC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602958033 653217984 /nfs/dbraw/zinc/21/79/84/653217984.db2.gz XGNMYDGCZGVAEI-UHFFFAOYSA-N 1 2 386.159 2.156 20 0 GEADLO O=C([C@H]1CC[N@@H+](Cn2c(=O)oc3ccc(Br)cc32)C1)N1CCCC1 ZINC000808207359 653222652 /nfs/dbraw/zinc/22/26/52/653222652.db2.gz OVYIYUXHINDVTR-LBPRGKRZSA-N 1 2 394.269 2.259 20 0 GEADLO O=C([C@H]1CC[N@H+](Cn2c(=O)oc3ccc(Br)cc32)C1)N1CCCC1 ZINC000808207359 653222657 /nfs/dbraw/zinc/22/26/57/653222657.db2.gz OVYIYUXHINDVTR-LBPRGKRZSA-N 1 2 394.269 2.259 20 0 GEADLO COc1nsc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)c1Br ZINC000641707948 653231856 /nfs/dbraw/zinc/23/18/56/653231856.db2.gz SRHMXTBMTMMOQQ-UHFFFAOYSA-N 1 2 399.314 2.436 20 0 GEADLO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(F)c1 ZINC000642192150 653239501 /nfs/dbraw/zinc/23/95/01/653239501.db2.gz RRJROPOWYIGARZ-HNNXBMFYSA-N 1 2 385.486 2.427 20 0 GEADLO C[N@H+](CCCNC(=O)C(F)(F)F)CC(=O)Nc1ccccc1Br ZINC000774547173 653241099 /nfs/dbraw/zinc/24/10/99/653241099.db2.gz YHKSVADCQVJRJL-UHFFFAOYSA-N 1 2 396.207 2.388 20 0 GEADLO C[N@@H+](CCCNC(=O)C(F)(F)F)CC(=O)Nc1ccccc1Br ZINC000774547173 653241102 /nfs/dbraw/zinc/24/11/02/653241102.db2.gz YHKSVADCQVJRJL-UHFFFAOYSA-N 1 2 396.207 2.388 20 0 GEADLO OCC[NH+]1CCN(Cc2cc(Br)c(O)c(Br)c2)CC1 ZINC000642338609 653242584 /nfs/dbraw/zinc/24/25/84/653242584.db2.gz SYSKVUCRDPXQEM-UHFFFAOYSA-N 1 2 394.107 2.027 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl)c1ccccc1Cl ZINC000775076020 653284175 /nfs/dbraw/zinc/28/41/75/653284175.db2.gz ABOMLFHTPBKCHM-MFKMUULPSA-N 1 2 392.714 2.369 20 0 GEADLO C[C@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1cccc(NS(C)(=O)=O)c1 ZINC000809609467 653285026 /nfs/dbraw/zinc/28/50/26/653285026.db2.gz DNMPFSQNNIMOEP-NSHDSACASA-N 1 2 383.495 2.411 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C(=O)NCCSC(F)(F)F)c1ccccc1Cl ZINC000775079943 653286468 /nfs/dbraw/zinc/28/64/68/653286468.db2.gz JCCJYZCABNAYHL-GFCCVEGCSA-N 1 2 397.850 2.428 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(Br)cc(C)c1C ZINC000857183772 653295158 /nfs/dbraw/zinc/29/51/58/653295158.db2.gz NIAVUURXAOQEPR-CQSZACIVSA-N 1 2 380.242 2.234 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000775695333 653322139 /nfs/dbraw/zinc/32/21/39/653322139.db2.gz TZTPGUNZTDMVME-NSHDSACASA-N 1 2 387.299 2.167 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)ccc1Br ZINC000775695333 653322145 /nfs/dbraw/zinc/32/21/45/653322145.db2.gz TZTPGUNZTDMVME-NSHDSACASA-N 1 2 387.299 2.167 20 0 GEADLO CN(OCC(F)(F)F)C(=O)CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000857428078 653322972 /nfs/dbraw/zinc/32/29/72/653322972.db2.gz NFNMUYWIOHKPOK-CYBMUJFWSA-N 1 2 381.782 2.011 20 0 GEADLO Cn1cc(C[NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)c(Br)n1 ZINC000712448773 653323947 /nfs/dbraw/zinc/32/39/47/653323947.db2.gz HTGUHCLSEUESEF-KRWDZBQOSA-N 1 2 392.345 2.088 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C(=O)NCC[C@@H]1CCSC1)c1ccccc1Cl ZINC000874998794 653346200 /nfs/dbraw/zinc/34/62/00/653346200.db2.gz WDCSAECSTAISKA-CZUORRHYSA-N 1 2 383.945 2.318 20 0 GEADLO Cc1cc(Br)nc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000836769965 653376909 /nfs/dbraw/zinc/37/69/09/653376909.db2.gz SUMGJXIXTLPFGT-QWHCGFSZSA-N 1 2 383.290 2.479 20 0 GEADLO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCc1c[nH+]cn1C ZINC000875591266 653379090 /nfs/dbraw/zinc/37/90/90/653379090.db2.gz IIQOEYVBRUJMMR-CQSZACIVSA-N 1 2 387.267 2.308 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000875592057 653379099 /nfs/dbraw/zinc/37/90/99/653379099.db2.gz VTWNOEYPTRQMIO-HUUCEWRRSA-N 1 2 379.258 2.200 20 0 GEADLO O=C(NCCNC(=O)c1cccc2[nH+]ccn21)c1ccc(Br)cc1 ZINC000776842919 653379304 /nfs/dbraw/zinc/37/93/04/653379304.db2.gz IJMOVQMBJWBJSN-UHFFFAOYSA-N 1 2 387.237 2.257 20 0 GEADLO O=S(=O)(c1ccc(Br)nc1F)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000858942880 653386743 /nfs/dbraw/zinc/38/67/43/653386743.db2.gz BXMKUHUWMMELLF-JTQLQIEISA-N 1 2 389.250 2.206 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000837153957 653404806 /nfs/dbraw/zinc/40/48/06/653404806.db2.gz IGCVRGIRQHOAEM-WBMJQRKESA-N 1 2 378.270 2.400 20 0 GEADLO C[C@H]1COCCC[N@@H+]1Cn1c(=O)oc2cc(I)ccc21 ZINC000777964427 653414711 /nfs/dbraw/zinc/41/47/11/653414711.db2.gz QANLKFFHOSLPBZ-JTQLQIEISA-N 1 2 388.205 2.267 20 0 GEADLO C[C@H]1COCCC[N@H+]1Cn1c(=O)oc2cc(I)ccc21 ZINC000777964427 653414713 /nfs/dbraw/zinc/41/47/13/653414713.db2.gz QANLKFFHOSLPBZ-JTQLQIEISA-N 1 2 388.205 2.267 20 0 GEADLO Cc1nc(N2CCN(C(=O)NCc3ncc(Br)s3)CC2)cc[nH+]1 ZINC000876286940 653420473 /nfs/dbraw/zinc/42/04/73/653420473.db2.gz JPSMIOZSELKTCG-UHFFFAOYSA-N 1 2 397.302 2.036 20 0 GEADLO C[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)c1nnnn1C1CC1 ZINC000859276931 653431978 /nfs/dbraw/zinc/43/19/78/653431978.db2.gz NEOJMVMRBYCCSA-OTYXRUKQSA-N 1 2 391.273 2.375 20 0 GEADLO O=C(/C=C\c1ccc(I)o1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779094624 653465961 /nfs/dbraw/zinc/46/59/61/653465961.db2.gz DLAOOXBDGDFPRZ-GQPNGRKGSA-N 1 2 383.189 2.225 20 0 GEADLO CC[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000859944400 653612831 /nfs/dbraw/zinc/61/28/31/653612831.db2.gz VWMFJHGLGVTCKP-IRXDYDNUSA-N 1 2 399.329 2.094 20 0 GEADLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cccc(F)c2I)C1 ZINC000877626467 653614633 /nfs/dbraw/zinc/61/46/33/653614633.db2.gz WBHNYDDSOIGQSY-NSHDSACASA-N 1 2 390.196 2.457 20 0 GEADLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cccc(F)c2I)C1 ZINC000877626467 653614635 /nfs/dbraw/zinc/61/46/35/653614635.db2.gz WBHNYDDSOIGQSY-NSHDSACASA-N 1 2 390.196 2.457 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1Br ZINC000877635717 653614990 /nfs/dbraw/zinc/61/49/90/653614990.db2.gz BZQCQXBMBQIHQD-ZDUSSCGKSA-N 1 2 398.301 2.423 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1Br ZINC000877635717 653614994 /nfs/dbraw/zinc/61/49/94/653614994.db2.gz BZQCQXBMBQIHQD-ZDUSSCGKSA-N 1 2 398.301 2.423 20 0 GEADLO C[C@]1(CO)C[N@@H+](Cc2cccc(F)c2I)C[C@@]1(C)CO ZINC000877656899 653615553 /nfs/dbraw/zinc/61/55/53/653615553.db2.gz SECLARPKQLIRFT-GASCZTMLSA-N 1 2 393.240 2.243 20 0 GEADLO C[C@]1(CO)C[N@H+](Cc2cccc(F)c2I)C[C@@]1(C)CO ZINC000877656899 653615557 /nfs/dbraw/zinc/61/55/57/653615557.db2.gz SECLARPKQLIRFT-GASCZTMLSA-N 1 2 393.240 2.243 20 0 GEADLO OC[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2)C[C@H]1CO ZINC000877764395 653618845 /nfs/dbraw/zinc/61/88/45/653618845.db2.gz AYLNZXKUQUNIFQ-PHIMTYICSA-N 1 2 379.092 2.244 20 0 GEADLO OC[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2)C[C@H]1CO ZINC000877764395 653618850 /nfs/dbraw/zinc/61/88/50/653618850.db2.gz AYLNZXKUQUNIFQ-PHIMTYICSA-N 1 2 379.092 2.244 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(Br)c4c(c3)OCCCO4)C[C@@H]21 ZINC000814173871 653624642 /nfs/dbraw/zinc/62/46/42/653624642.db2.gz ZPUXMBRNMUERHE-JYAVWHMHSA-N 1 2 382.254 2.461 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(Br)c4c(c3)OCCCO4)C[C@@H]21 ZINC000814173871 653624644 /nfs/dbraw/zinc/62/46/44/653624644.db2.gz ZPUXMBRNMUERHE-JYAVWHMHSA-N 1 2 382.254 2.461 20 0 GEADLO CC(=O)Nc1cccc2c1CC[N@H+](C[C@H](O)c1cc(Br)no1)C2 ZINC000877986355 653625075 /nfs/dbraw/zinc/62/50/75/653625075.db2.gz JYELOBSMXHJBLM-AWEZNQCLSA-N 1 2 380.242 2.487 20 0 GEADLO CC(=O)Nc1cccc2c1CC[N@@H+](C[C@H](O)c1cc(Br)no1)C2 ZINC000877986355 653625078 /nfs/dbraw/zinc/62/50/78/653625078.db2.gz JYELOBSMXHJBLM-AWEZNQCLSA-N 1 2 380.242 2.487 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3C[C@H](S(C)(=O)=O)C3)n2)C1 ZINC000878012544 653626237 /nfs/dbraw/zinc/62/62/37/653626237.db2.gz PKXLJVWCWIYXIH-YRGRVCCFSA-N 1 2 386.543 2.072 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3C[C@H](S(C)(=O)=O)C3)n2)C1 ZINC000878012544 653626240 /nfs/dbraw/zinc/62/62/40/653626240.db2.gz PKXLJVWCWIYXIH-YRGRVCCFSA-N 1 2 386.543 2.072 20 0 GEADLO C[C@H](NC(=O)c1cn(C(C)(C)C)nc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000780479673 653626512 /nfs/dbraw/zinc/62/65/12/653626512.db2.gz KRTDFESOJDVQGM-RYUDHWBXSA-N 1 2 387.322 2.240 20 0 GEADLO COc1ccccc1C[NH+]1CCN(C[C@H](O)c2cc(Br)no2)CC1 ZINC000878048246 653627266 /nfs/dbraw/zinc/62/72/66/653627266.db2.gz YXZXSAVRZOHMAL-AWEZNQCLSA-N 1 2 396.285 2.297 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c3nonc32)C[C@H]1n1cc[nH+]c1 ZINC000814387455 653629057 /nfs/dbraw/zinc/62/90/57/653629057.db2.gz YOQCEMDFVFHORL-ZYHUDNBSSA-N 1 2 381.845 2.345 20 0 GEADLO Cn1ncc(Br)c1CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000878284563 653633408 /nfs/dbraw/zinc/63/34/08/653633408.db2.gz ZGNIXHWIMCCEIA-UHFFFAOYSA-N 1 2 392.301 2.427 20 0 GEADLO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000780868001 653634377 /nfs/dbraw/zinc/63/43/77/653634377.db2.gz UJPYFWPMWOOCKW-SECBINFHSA-N 1 2 383.258 2.490 20 0 GEADLO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000780868001 653634379 /nfs/dbraw/zinc/63/43/79/653634379.db2.gz UJPYFWPMWOOCKW-SECBINFHSA-N 1 2 383.258 2.490 20 0 GEADLO Cc1ccnn1CC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000860793208 653637560 /nfs/dbraw/zinc/63/75/60/653637560.db2.gz QXYPNMVKBQHQPW-UHFFFAOYSA-N 1 2 376.258 2.269 20 0 GEADLO O=C(COC(=O)c1csc(Cl)n1)N1CC[NH+](Cc2cccs2)CC1 ZINC000781218804 653639420 /nfs/dbraw/zinc/63/94/20/653639420.db2.gz VUVLALCKEPWIHZ-UHFFFAOYSA-N 1 2 385.898 2.359 20 0 GEADLO CCOC(=O)CC(C)(C)C[NH2+]Cc1nn(C)cc1I ZINC000839126948 653642969 /nfs/dbraw/zinc/64/29/69/653642969.db2.gz DCBPRBXSTIWYIF-UHFFFAOYSA-N 1 2 379.242 2.094 20 0 GEADLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878627668 653642986 /nfs/dbraw/zinc/64/29/86/653642986.db2.gz SBCVJYNHGCADNE-NWDGAFQWSA-N 1 2 388.262 2.214 20 0 GEADLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878627668 653642987 /nfs/dbraw/zinc/64/29/87/653642987.db2.gz SBCVJYNHGCADNE-NWDGAFQWSA-N 1 2 388.262 2.214 20 0 GEADLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878685990 653644473 /nfs/dbraw/zinc/64/44/73/653644473.db2.gz RBMDFWBMIQLKNT-NXEZZACHSA-N 1 2 386.212 2.287 20 0 GEADLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878685990 653644474 /nfs/dbraw/zinc/64/44/74/653644474.db2.gz RBMDFWBMIQLKNT-NXEZZACHSA-N 1 2 386.212 2.287 20 0 GEADLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccnc(Br)c2)CC1 ZINC000815037632 653647249 /nfs/dbraw/zinc/64/72/49/653647249.db2.gz QVNPBNUYDNZRSH-AWEZNQCLSA-N 1 2 395.345 2.409 20 0 GEADLO CC(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000878876481 653650458 /nfs/dbraw/zinc/65/04/58/653650458.db2.gz YKNZTLBLCJUFTJ-CYBMUJFWSA-N 1 2 377.304 2.120 20 0 GEADLO CC(C)S(=O)(=O)CC[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000878876481 653650459 /nfs/dbraw/zinc/65/04/59/653650459.db2.gz YKNZTLBLCJUFTJ-CYBMUJFWSA-N 1 2 377.304 2.120 20 0 GEADLO C[C@]([NH2+]CCS(=O)(=O)Cc1ccccc1)(C(N)=O)c1cccc(Cl)c1 ZINC000839522491 653653816 /nfs/dbraw/zinc/65/38/16/653653816.db2.gz WJTSWGXJJUNBGE-GOSISDBHSA-N 1 2 380.897 2.245 20 0 GEADLO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000782048783 653654342 /nfs/dbraw/zinc/65/43/42/653654342.db2.gz NMWBSGQRGZPKAH-MYYSRTQBSA-N 1 2 393.336 2.204 20 0 GEADLO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000861341281 653654932 /nfs/dbraw/zinc/65/49/32/653654932.db2.gz OTQULDMDQSWHRF-LRDDRELGSA-N 1 2 375.874 2.010 20 0 GEADLO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000861341281 653654937 /nfs/dbraw/zinc/65/49/37/653654937.db2.gz OTQULDMDQSWHRF-LRDDRELGSA-N 1 2 375.874 2.010 20 0 GEADLO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000861341280 653655062 /nfs/dbraw/zinc/65/50/62/653655062.db2.gz OTQULDMDQSWHRF-BLLLJJGKSA-N 1 2 375.874 2.010 20 0 GEADLO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000861341280 653655064 /nfs/dbraw/zinc/65/50/64/653655064.db2.gz OTQULDMDQSWHRF-BLLLJJGKSA-N 1 2 375.874 2.010 20 0 GEADLO Cc1cccn2cc(CCNC(=O)Cc3c(Br)cnn3C)[nH+]c12 ZINC000879058080 653657212 /nfs/dbraw/zinc/65/72/12/653657212.db2.gz ICWSUADNYMUKEA-UHFFFAOYSA-N 1 2 376.258 2.040 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000839602990 653657312 /nfs/dbraw/zinc/65/73/12/653657312.db2.gz VYRKUIMQKUFFJB-CQSZACIVSA-N 1 2 378.416 2.287 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000839602990 653657315 /nfs/dbraw/zinc/65/73/15/653657315.db2.gz VYRKUIMQKUFFJB-CQSZACIVSA-N 1 2 378.416 2.287 20 0 GEADLO COCCNC(=O)C1CC[NH+](Cc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000782444578 653661586 /nfs/dbraw/zinc/66/15/86/653661586.db2.gz NVNJUZZUAAZKFA-UHFFFAOYSA-N 1 2 382.814 2.067 20 0 GEADLO Cc1cnn(C)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000839734630 653661917 /nfs/dbraw/zinc/66/19/17/653661917.db2.gz VXKAZQYHTNSYFB-UHFFFAOYSA-N 1 2 392.301 2.495 20 0 GEADLO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000782478163 653662180 /nfs/dbraw/zinc/66/21/80/653662180.db2.gz NYWFVTKTIBLCHI-UHFFFAOYSA-N 1 2 378.841 2.339 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](CO)[C@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000879363035 653666866 /nfs/dbraw/zinc/66/68/66/653666866.db2.gz NJUBVNNBDFYHKG-IINYFYTJSA-N 1 2 380.794 2.363 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](CO)[C@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000879363035 653666867 /nfs/dbraw/zinc/66/68/67/653666867.db2.gz NJUBVNNBDFYHKG-IINYFYTJSA-N 1 2 380.794 2.363 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-c2csc(C)n2)s1 ZINC000879549833 653672307 /nfs/dbraw/zinc/67/23/07/653672307.db2.gz XEJOYEINDIHZGG-NSHDSACASA-N 1 2 376.463 2.348 20 0 GEADLO COCCNc1nn(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(=S)s1 ZINC000840108748 653674780 /nfs/dbraw/zinc/67/47/80/653674780.db2.gz LCZGRLJCECSFLO-LBPRGKRZSA-N 1 2 387.575 2.303 20 0 GEADLO COCCNc1nn(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(=S)s1 ZINC000840108748 653674782 /nfs/dbraw/zinc/67/47/82/653674782.db2.gz LCZGRLJCECSFLO-LBPRGKRZSA-N 1 2 387.575 2.303 20 0 GEADLO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cn1cc(I)cn1 ZINC000840115356 653674878 /nfs/dbraw/zinc/67/48/78/653674878.db2.gz KQLCDIULPRGUFM-MGPQQGTHSA-N 1 2 375.254 2.461 20 0 GEADLO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cn1cc(I)cn1 ZINC000840115356 653674879 /nfs/dbraw/zinc/67/48/79/653674879.db2.gz KQLCDIULPRGUFM-MGPQQGTHSA-N 1 2 375.254 2.461 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862245473 653681460 /nfs/dbraw/zinc/68/14/60/653681460.db2.gz PSVAYTGFHWGMDS-UONOGXRCSA-N 1 2 378.535 2.113 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862245473 653681464 /nfs/dbraw/zinc/68/14/64/653681464.db2.gz PSVAYTGFHWGMDS-UONOGXRCSA-N 1 2 378.535 2.113 20 0 GEADLO C[N@@H+](Cc1ncc(Br)cc1F)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000862382905 653684809 /nfs/dbraw/zinc/68/48/09/653684809.db2.gz CNKWDXXHEGONQG-NSHDSACASA-N 1 2 392.269 2.301 20 0 GEADLO C[N@H+](Cc1ncc(Br)cc1F)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000862382905 653684811 /nfs/dbraw/zinc/68/48/11/653684811.db2.gz CNKWDXXHEGONQG-NSHDSACASA-N 1 2 392.269 2.301 20 0 GEADLO Cn1nc(Br)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000816710771 653691292 /nfs/dbraw/zinc/69/12/92/653691292.db2.gz FEUZZONDZNUTKO-CYBMUJFWSA-N 1 2 379.258 2.022 20 0 GEADLO Cn1nc(Br)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000816710771 653691294 /nfs/dbraw/zinc/69/12/94/653691294.db2.gz FEUZZONDZNUTKO-CYBMUJFWSA-N 1 2 379.258 2.022 20 0 GEADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@@H]1C(F)(F)F ZINC000880024741 653692688 /nfs/dbraw/zinc/69/26/88/653692688.db2.gz NJUXKEHVESXPMH-NEPJUHHUSA-N 1 2 388.452 2.056 20 0 GEADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@@H]1C(F)(F)F ZINC000880024741 653692690 /nfs/dbraw/zinc/69/26/90/653692690.db2.gz NJUXKEHVESXPMH-NEPJUHHUSA-N 1 2 388.452 2.056 20 0 GEADLO S=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccc(Br)cc1 ZINC000840803741 653694735 /nfs/dbraw/zinc/69/47/35/653694735.db2.gz VFTCVCBTKFZYCY-GASCZTMLSA-N 1 2 384.343 2.276 20 0 GEADLO S=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccc(Br)cc1 ZINC000840803741 653694737 /nfs/dbraw/zinc/69/47/37/653694737.db2.gz VFTCVCBTKFZYCY-GASCZTMLSA-N 1 2 384.343 2.276 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1nc(Cl)sc1Cl ZINC000816918390 653695758 /nfs/dbraw/zinc/69/57/58/653695758.db2.gz ZCDKSKRBKUAVCW-UHFFFAOYSA-N 1 2 376.269 2.231 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)Cc1cccc(I)c1 ZINC000784917132 653701450 /nfs/dbraw/zinc/70/14/50/653701450.db2.gz CAYVZGQQMIIUOV-LBPRGKRZSA-N 1 2 389.233 2.098 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCS(=O)(=O)C3CC3)n2)C1 ZINC000840930254 653701697 /nfs/dbraw/zinc/70/16/97/653701697.db2.gz VJDMBYHYWFXWPS-GFCCVEGCSA-N 1 2 386.543 2.074 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCS(=O)(=O)C3CC3)n2)C1 ZINC000840930254 653701699 /nfs/dbraw/zinc/70/16/99/653701699.db2.gz VJDMBYHYWFXWPS-GFCCVEGCSA-N 1 2 386.543 2.074 20 0 GEADLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000880333447 653703960 /nfs/dbraw/zinc/70/39/60/653703960.db2.gz FSGXLMAVOMOFSB-MRXNPFEDSA-N 1 2 399.285 2.336 20 0 GEADLO COC(=O)C(C)(C)C[N@@H+](Cc1csc(CS(C)(=O)=O)n1)CC(C)C ZINC000880383175 653705208 /nfs/dbraw/zinc/70/52/08/653705208.db2.gz VBPVDADRXDOGEU-UHFFFAOYSA-N 1 2 376.544 2.345 20 0 GEADLO COC(=O)C(C)(C)C[N@H+](Cc1csc(CS(C)(=O)=O)n1)CC(C)C ZINC000880383175 653705211 /nfs/dbraw/zinc/70/52/11/653705211.db2.gz VBPVDADRXDOGEU-UHFFFAOYSA-N 1 2 376.544 2.345 20 0 GEADLO O=C(C[NH+]1CCC(NC(=O)C2SCCCS2)CC1)Nc1ccccc1 ZINC000841025850 653705265 /nfs/dbraw/zinc/70/52/65/653705265.db2.gz LBXCUGIEORCFSL-UHFFFAOYSA-N 1 2 379.551 2.402 20 0 GEADLO COc1cc(Br)ccc1NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000880630358 653710079 /nfs/dbraw/zinc/71/00/79/653710079.db2.gz AUCVKOKKUDJIQN-GFCCVEGCSA-N 1 2 385.306 2.215 20 0 GEADLO COC(=O)c1ccc(CNC(=O)NCCCn2cc[nH+]c2)c(Br)c1 ZINC000785703680 653714666 /nfs/dbraw/zinc/71/46/66/653714666.db2.gz HMTWYQQUFHRXJW-UHFFFAOYSA-N 1 2 395.257 2.322 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c(F)cc1Cl ZINC000841509855 653723564 /nfs/dbraw/zinc/72/35/64/653723564.db2.gz OLJBPZJGMHMDKQ-UHFFFAOYSA-N 1 2 392.880 2.371 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c(F)cc1Cl ZINC000841509855 653723565 /nfs/dbraw/zinc/72/35/65/653723565.db2.gz OLJBPZJGMHMDKQ-UHFFFAOYSA-N 1 2 392.880 2.371 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c(F)cc1Cl ZINC000841513043 653724172 /nfs/dbraw/zinc/72/41/72/653724172.db2.gz SCKBMHXZKQUFBB-UHFFFAOYSA-N 1 2 387.820 2.098 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000864405185 653735097 /nfs/dbraw/zinc/73/50/97/653735097.db2.gz CXAXQMLXZXAGHR-HUUCEWRRSA-N 1 2 379.258 2.163 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)[C@@H]1C ZINC000787248274 653735949 /nfs/dbraw/zinc/73/59/49/653735949.db2.gz XIPXVCYMCPCEOW-XIZWVBILSA-N 1 2 385.873 2.009 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)[C@@H]1C ZINC000787248274 653735954 /nfs/dbraw/zinc/73/59/54/653735954.db2.gz XIPXVCYMCPCEOW-XIZWVBILSA-N 1 2 385.873 2.009 20 0 GEADLO CN1C(=O)NC2(CC[NH+](Cc3ccc(Cl)nc3C(F)(F)F)CC2)C1=O ZINC000787272062 653736389 /nfs/dbraw/zinc/73/63/89/653736389.db2.gz QJMVAEDYZORYRH-UHFFFAOYSA-N 1 2 376.766 2.270 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000787728157 653742901 /nfs/dbraw/zinc/74/29/01/653742901.db2.gz CGLJPPSIHWLMPL-INIZCTEOSA-N 1 2 388.917 2.147 20 0 GEADLO CN1CC[NH+](CCCCNC(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000864864297 653747203 /nfs/dbraw/zinc/74/72/03/653747203.db2.gz WSNVYYAZVKJZSD-UHFFFAOYSA-N 1 2 388.281 2.051 20 0 GEADLO O=C1C(=O)N(CN2CC[NH+](C3CC3)CC2)c2ccc(Br)c(Cl)c21 ZINC000788046035 653748140 /nfs/dbraw/zinc/74/81/40/653748140.db2.gz HQFSVDUEVSRZOE-UHFFFAOYSA-N 1 2 398.688 2.369 20 0 GEADLO Cn1cc(I)c(C[NH2+]C[C@H](O)c2c(F)cccc2F)n1 ZINC000819354481 653749779 /nfs/dbraw/zinc/74/97/79/653749779.db2.gz HAPDSGWUDCEUMQ-LBPRGKRZSA-N 1 2 393.175 2.126 20 0 GEADLO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2nn(C)cc2I)c1 ZINC000819358097 653749812 /nfs/dbraw/zinc/74/98/12/653749812.db2.gz ZHBRFTRPDHKMDF-HNNXBMFYSA-N 1 2 385.249 2.465 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000864983906 653750428 /nfs/dbraw/zinc/75/04/28/653750428.db2.gz ACYWHHCZWATUNZ-BGTMTDRBSA-N 1 2 381.270 2.277 20 0 GEADLO FC(F)(F)CCCCNC(=S)N1CC[NH+](CCc2cnccn2)CC1 ZINC000865259381 653758070 /nfs/dbraw/zinc/75/80/70/653758070.db2.gz HCTZCQIPYKXHMH-UHFFFAOYSA-N 1 2 375.464 2.244 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)ccc1Br ZINC000788605007 653760547 /nfs/dbraw/zinc/76/05/47/653760547.db2.gz OUHFCNLMRNKZPM-LBPRGKRZSA-N 1 2 386.633 2.271 20 0 GEADLO CN(C)c1nn(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c(=S)s1 ZINC000842635250 653761301 /nfs/dbraw/zinc/76/13/01/653761301.db2.gz MJCQATHSPCTLFU-CQSZACIVSA-N 1 2 377.539 2.336 20 0 GEADLO CN(C)c1nn(C[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c(=S)s1 ZINC000842635250 653761303 /nfs/dbraw/zinc/76/13/03/653761303.db2.gz MJCQATHSPCTLFU-CQSZACIVSA-N 1 2 377.539 2.336 20 0 GEADLO NS(=O)(=O)c1cc(Br)ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865505067 653766997 /nfs/dbraw/zinc/76/69/97/653766997.db2.gz BDTMUKYEYXMIAI-LBPRGKRZSA-N 1 2 385.287 2.135 20 0 GEADLO C[C@](CO)([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1ccc(Br)cc1 ZINC000865564492 653768642 /nfs/dbraw/zinc/76/86/42/653768642.db2.gz GAHZVNRIVYGDJW-IAGOWNOFSA-N 1 2 395.301 2.217 20 0 GEADLO Cn1nc(Br)cc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000820243797 653769698 /nfs/dbraw/zinc/76/96/98/653769698.db2.gz VAIGOTKBPQVKPC-INIZCTEOSA-N 1 2 393.285 2.319 20 0 GEADLO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000842865046 653771045 /nfs/dbraw/zinc/77/10/45/653771045.db2.gz RWGMWMWXOVJYFR-NSHDSACASA-N 1 2 391.827 2.124 20 0 GEADLO COc1nc(Br)ccc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000789373048 653772641 /nfs/dbraw/zinc/77/26/41/653772641.db2.gz BXNKQXYFGBTUND-UHFFFAOYSA-N 1 2 387.278 2.085 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1c(C2CCC2)cnn1C ZINC000865869063 653778341 /nfs/dbraw/zinc/77/83/41/653778341.db2.gz VMPBDYFELBAESR-UHFFFAOYSA-N 1 2 385.253 2.316 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC000882454859 653782867 /nfs/dbraw/zinc/78/28/67/653782867.db2.gz NHZPEIQJZZHFDU-WNSKOXEYSA-N 1 2 377.576 2.268 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)C1CCCCC1 ZINC000882454859 653782870 /nfs/dbraw/zinc/78/28/70/653782870.db2.gz NHZPEIQJZZHFDU-WNSKOXEYSA-N 1 2 377.576 2.268 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCCOC(F)(F)C(F)(F)F)C1 ZINC000882514458 653786007 /nfs/dbraw/zinc/78/60/07/653786007.db2.gz XEAKGSJYXGZBSI-UHFFFAOYSA-N 1 2 388.358 2.125 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCCOC(F)(F)C(F)(F)F)C1 ZINC000882514458 653786008 /nfs/dbraw/zinc/78/60/08/653786008.db2.gz XEAKGSJYXGZBSI-UHFFFAOYSA-N 1 2 388.358 2.125 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)Cc2ccc(F)cc2Br)CCO1 ZINC000790269686 653788585 /nfs/dbraw/zinc/78/85/85/653788585.db2.gz GIXIUBRPMHFTID-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)Cc2ccc(F)cc2Br)CCO1 ZINC000790269686 653788587 /nfs/dbraw/zinc/78/85/87/653788587.db2.gz GIXIUBRPMHFTID-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO O=C(c1ccc2c(Br)cnn2c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000821015509 653788903 /nfs/dbraw/zinc/78/89/03/653788903.db2.gz OMAQGOQMOFBDEE-CQSZACIVSA-N 1 2 393.285 2.034 20 0 GEADLO COc1cc(Br)cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000821015829 653788909 /nfs/dbraw/zinc/78/89/09/653788909.db2.gz SOLMBHFUXIZBOQ-OAHLLOKOSA-N 1 2 383.286 2.395 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000882735477 653801480 /nfs/dbraw/zinc/80/14/80/653801480.db2.gz IPGOSPNTGABGLQ-HNNXBMFYSA-N 1 2 391.269 2.185 20 0 GEADLO O=C(c1cc(F)c(Br)cc1F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000866545651 653801515 /nfs/dbraw/zinc/80/15/15/653801515.db2.gz ONPXDZCFIVCHBX-SNVBAGLBSA-N 1 2 375.213 2.274 20 0 GEADLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000882764644 653805512 /nfs/dbraw/zinc/80/55/12/653805512.db2.gz ADTOQHQWXOJWTL-UKRRQHHQSA-N 1 2 388.917 2.128 20 0 GEADLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000882764644 653805515 /nfs/dbraw/zinc/80/55/15/653805515.db2.gz ADTOQHQWXOJWTL-UKRRQHHQSA-N 1 2 388.917 2.128 20 0 GEADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)Nc1ccc(I)cc1 ZINC000844456048 653806434 /nfs/dbraw/zinc/80/64/34/653806434.db2.gz SOGVLEBIVAZOOT-PHIMTYICSA-N 1 2 378.160 2.427 20 0 GEADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)Nc1ccc(I)cc1 ZINC000844456048 653806435 /nfs/dbraw/zinc/80/64/35/653806435.db2.gz SOGVLEBIVAZOOT-PHIMTYICSA-N 1 2 378.160 2.427 20 0 GEADLO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1=S ZINC000844744910 653816632 /nfs/dbraw/zinc/81/66/32/653816632.db2.gz TXOYORRPXOANOF-SUAKZCRRSA-N 1 2 385.603 2.390 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(I)cc1O ZINC000866745044 653818324 /nfs/dbraw/zinc/81/83/24/653818324.db2.gz SPKVGBNQPWKSBQ-UHFFFAOYSA-N 1 2 385.205 2.356 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000844912856 653828926 /nfs/dbraw/zinc/82/89/26/653828926.db2.gz QBGONXUMJRTVMU-HZPDHXFCSA-N 1 2 375.485 2.025 20 0 GEADLO Cn1ccn2c(C[NH2+][C@H]3CCc4c3cc(Br)cc4F)nnc2c1=O ZINC000883333554 653835842 /nfs/dbraw/zinc/83/58/42/653835842.db2.gz WNHGFLMNPCJQFL-ZDUSSCGKSA-N 1 2 392.232 2.107 20 0 GEADLO CCN(CC)S(=O)(=O)N1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000792204875 653837635 /nfs/dbraw/zinc/83/76/35/653837635.db2.gz HVLLMZMRZSEKLF-UHFFFAOYSA-N 1 2 393.912 2.062 20 0 GEADLO COc1ccc(C2=NO[C@H](C[NH2+]Cc3nc(Br)nn3C)C2)cc1F ZINC000895505227 653838441 /nfs/dbraw/zinc/83/84/41/653838441.db2.gz PPDTXASHWMFNLP-JTQLQIEISA-N 1 2 398.236 2.008 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000866864355 653840439 /nfs/dbraw/zinc/84/04/39/653840439.db2.gz HQEBBPWTFMHQDH-DZGCQCFKSA-N 1 2 393.600 2.473 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000866864355 653840443 /nfs/dbraw/zinc/84/04/43/653840443.db2.gz HQEBBPWTFMHQDH-DZGCQCFKSA-N 1 2 393.600 2.473 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000895579142 653841862 /nfs/dbraw/zinc/84/18/62/653841862.db2.gz YMFDTOBMEMGPDI-INIZCTEOSA-N 1 2 385.258 2.171 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000895579142 653841864 /nfs/dbraw/zinc/84/18/64/653841864.db2.gz YMFDTOBMEMGPDI-INIZCTEOSA-N 1 2 385.258 2.171 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1F ZINC000866941157 653852647 /nfs/dbraw/zinc/85/26/47/653852647.db2.gz BIUOKSJSWXTWQW-MCFWBGNESA-N 1 2 386.474 2.130 20 0 GEADLO COc1nn(C)cc1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000883967410 653859380 /nfs/dbraw/zinc/85/93/80/653859380.db2.gz OZTVLYOGROBVPK-UHFFFAOYSA-N 1 2 392.257 2.120 20 0 GEADLO O=C(Cn1cc(C[NH+]2CCC(O)CC2)nn1)Nc1cccc(Cl)c1Cl ZINC000883992210 653859897 /nfs/dbraw/zinc/85/98/97/653859897.db2.gz GHMDHTPCEFXHPS-UHFFFAOYSA-N 1 2 384.267 2.180 20 0 GEADLO OC1CC[NH+](Cc2cn(Cc3c(F)ccc(Br)c3F)nn2)CC1 ZINC000883992121 653859928 /nfs/dbraw/zinc/85/99/28/653859928.db2.gz CNNGDKTUEKXDAX-UHFFFAOYSA-N 1 2 387.228 2.324 20 0 GEADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1csc(I)n1 ZINC000823601458 653873551 /nfs/dbraw/zinc/87/35/51/653873551.db2.gz DTHMAWLEWJUAIR-UHFFFAOYSA-N 1 2 399.257 2.493 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000793587605 653880732 /nfs/dbraw/zinc/88/07/32/653880732.db2.gz IAEAXCYYIGXRIM-VWLOTQADSA-N 1 2 380.945 2.081 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896534222 653882936 /nfs/dbraw/zinc/88/29/36/653882936.db2.gz KYPWMWWSUSICTL-VJUNAUMWSA-N 1 2 380.330 2.303 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896534222 653882939 /nfs/dbraw/zinc/88/29/39/653882939.db2.gz KYPWMWWSUSICTL-VJUNAUMWSA-N 1 2 380.330 2.303 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896544868 653883993 /nfs/dbraw/zinc/88/39/93/653883993.db2.gz NBZVZGLZFOTPDD-GXSJLCMTSA-N 1 2 378.514 2.059 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896544868 653883995 /nfs/dbraw/zinc/88/39/95/653883995.db2.gz NBZVZGLZFOTPDD-GXSJLCMTSA-N 1 2 378.514 2.059 20 0 GEADLO COC(=O)c1ccc(CNC(=O)CCc2c[nH+]cn2C)c(Br)c1 ZINC000793929147 653889115 /nfs/dbraw/zinc/88/91/15/653889115.db2.gz KDDDISANRDIDRL-UHFFFAOYSA-N 1 2 380.242 2.218 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)C1 ZINC000867198564 653892531 /nfs/dbraw/zinc/89/25/31/653892531.db2.gz LDGRBUATKSIACW-NSHDSACASA-N 1 2 378.479 2.304 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000896980585 653901393 /nfs/dbraw/zinc/90/13/93/653901393.db2.gz MRDCKPVCIGUBLQ-ONGXEEELSA-N 1 2 399.236 2.243 20 0 GEADLO Cn1nc(Br)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824838606 653909982 /nfs/dbraw/zinc/90/99/82/653909982.db2.gz PTWHRTXBVGMQNI-NXEZZACHSA-N 1 2 395.223 2.025 20 0 GEADLO Cn1nc(Br)cc1C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824838606 653909986 /nfs/dbraw/zinc/90/99/86/653909986.db2.gz PTWHRTXBVGMQNI-NXEZZACHSA-N 1 2 395.223 2.025 20 0 GEADLO NC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](CC2(Br)CC2)CC1 ZINC000846848729 653911061 /nfs/dbraw/zinc/91/10/61/653911061.db2.gz OZPZKQZBLNVJBC-AWEZNQCLSA-N 1 2 386.721 2.412 20 0 GEADLO COc1c(N)[nH+]cnc1N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000897275974 653913688 /nfs/dbraw/zinc/91/36/88/653913688.db2.gz VSHSVVRSMHMFGO-UHFFFAOYSA-N 1 2 393.167 2.065 20 0 GEADLO COc1c(N)nc[nH+]c1N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000897275974 653913694 /nfs/dbraw/zinc/91/36/94/653913694.db2.gz VSHSVVRSMHMFGO-UHFFFAOYSA-N 1 2 393.167 2.065 20 0 GEADLO CC(C)[NH+]1CC(NC(=O)c2cnn(C(C)(C)C)c2I)C1 ZINC000897493092 653924546 /nfs/dbraw/zinc/92/45/46/653924546.db2.gz QQYVHBXHOZKYCH-UHFFFAOYSA-N 1 2 390.269 2.065 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3ccc(Br)c(C)c3)C[C@@H]21 ZINC000794963613 653925620 /nfs/dbraw/zinc/92/56/20/653925620.db2.gz HYJWDUDCAJPAKQ-MUYACECFSA-N 1 2 381.270 2.435 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ccc(Br)c(C)c3)C[C@@H]21 ZINC000794963613 653925624 /nfs/dbraw/zinc/92/56/24/653925624.db2.gz HYJWDUDCAJPAKQ-MUYACECFSA-N 1 2 381.270 2.435 20 0 GEADLO CCOc1ccc(Br)c(C(=O)N[C@@H](CO)c2c[nH+]cn2C)c1F ZINC000825531665 653932624 /nfs/dbraw/zinc/93/26/24/653932624.db2.gz NGLCOQOOYJWFOA-JTQLQIEISA-N 1 2 386.221 2.184 20 0 GEADLO CC(C)c1cc(=O)[nH]c(N2CC[C@H]([NH2+]Cc3nc(Br)c[nH]3)C2)n1 ZINC000897706740 653934594 /nfs/dbraw/zinc/93/45/94/653934594.db2.gz SRAQXNOQGYNKGL-JTQLQIEISA-N 1 2 381.278 2.160 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000795158449 653935713 /nfs/dbraw/zinc/93/57/13/653935713.db2.gz CIGRQXINUIDBAJ-UHFFFAOYSA-N 1 2 398.282 2.078 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nccc2ccc(Br)cc21 ZINC000825814876 653941470 /nfs/dbraw/zinc/94/14/70/653941470.db2.gz PNQZOWQKRGRBIF-HNNXBMFYSA-N 1 2 380.286 2.127 20 0 GEADLO COc1cc(OC)c(NC(=O)/C=C\C[NH+]2CCOCC2)cc1Br ZINC000867531261 653946608 /nfs/dbraw/zinc/94/66/08/653946608.db2.gz UMXHCZQEBPWHEJ-ARJAWSKDSA-N 1 2 385.258 2.293 20 0 GEADLO COc1cnc(F)c(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000897977640 653946888 /nfs/dbraw/zinc/94/68/88/653946888.db2.gz GRNDXQOTFZSAAJ-LBPRGKRZSA-N 1 2 381.205 2.040 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cnn(C(C)(C)C)c1Br)[NH+]1CCOCC1 ZINC000826571991 653953623 /nfs/dbraw/zinc/95/36/23/653953623.db2.gz MRTXOHFOAJATIE-NWDGAFQWSA-N 1 2 387.322 2.240 20 0 GEADLO C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CC(C)(C)OC1=O ZINC000795709912 653963710 /nfs/dbraw/zinc/96/37/10/653963710.db2.gz LUQWQWJBSGEGGN-TZMCWYRMSA-N 1 2 390.249 2.354 20 0 GEADLO C[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CC(C)(C)OC1=O ZINC000795709912 653963713 /nfs/dbraw/zinc/96/37/13/653963713.db2.gz LUQWQWJBSGEGGN-TZMCWYRMSA-N 1 2 390.249 2.354 20 0 GEADLO Cc1c(Br)cc(F)cc1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000826942003 653967308 /nfs/dbraw/zinc/96/73/08/653967308.db2.gz MXZNYZUBIYRKFF-UHFFFAOYSA-N 1 2 387.249 2.075 20 0 GEADLO Cc1c(Br)cc(F)cc1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000826942003 653967310 /nfs/dbraw/zinc/96/73/10/653967310.db2.gz MXZNYZUBIYRKFF-UHFFFAOYSA-N 1 2 387.249 2.075 20 0 GEADLO Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c(Cl)n1 ZINC000867655158 653969192 /nfs/dbraw/zinc/96/91/92/653969192.db2.gz MGQGSYPRZYGQHC-UHFFFAOYSA-N 1 2 398.941 2.470 20 0 GEADLO Cn1nc(C(F)(F)F)c(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c1Cl ZINC000827047002 653971940 /nfs/dbraw/zinc/97/19/40/653971940.db2.gz CHEDCGBPAHDRRV-UHFFFAOYSA-N 1 2 387.733 2.159 20 0 GEADLO CC(C)(CNS(=O)(=O)c1cnc(Cl)c(Br)c1)n1cc[nH+]c1 ZINC000867723178 653977574 /nfs/dbraw/zinc/97/75/74/653977574.db2.gz YYAKJWZSTBYQOH-UHFFFAOYSA-N 1 2 393.694 2.408 20 0 GEADLO CC(=O)N[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)c1cccc(Br)c1 ZINC000898810624 653987416 /nfs/dbraw/zinc/98/74/16/653987416.db2.gz MUGWSAZNQRAKMW-DZGCQCFKSA-N 1 2 377.242 2.084 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(c2cc(SCc3ccccc3)ncn2)CC1 ZINC000848667710 653990220 /nfs/dbraw/zinc/99/02/20/653990220.db2.gz LAOVKLZOZDNAKT-RUZDIDTESA-N 1 2 376.551 2.269 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000898897048 653991326 /nfs/dbraw/zinc/99/13/26/653991326.db2.gz ZTFSOASLKCHXST-CYBMUJFWSA-N 1 2 382.233 2.203 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000898893478 653991397 /nfs/dbraw/zinc/99/13/97/653991397.db2.gz CVWNFBDLENTCQS-ZFWWWQNUSA-N 1 2 383.235 2.070 20 0 GEADLO CC(C)(CNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)n1cc[nH+]c1 ZINC000898910159 653991897 /nfs/dbraw/zinc/99/18/97/653991897.db2.gz KAUKRYSMYRGIQE-UHFFFAOYSA-N 1 2 375.372 2.342 20 0 GEADLO O=C(C[NH2+]Cc1ncc(I)s1)N1CCc2ccccc21 ZINC000796292648 653995576 /nfs/dbraw/zinc/99/55/76/653995576.db2.gz ZNUWXECNEOCGPS-UHFFFAOYSA-N 1 2 399.257 2.427 20 0 GEADLO Cc1cc(S(=O)(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)sc1Cl ZINC000867859275 653999959 /nfs/dbraw/zinc/99/99/59/653999959.db2.gz JQKABOFIFUIGDJ-UHFFFAOYSA-N 1 2 378.947 2.443 20 0 GEADLO Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC000886794974 654000463 /nfs/dbraw/zinc/00/04/63/654000463.db2.gz IOLMOAYACSVNTR-MRXNPFEDSA-N 1 2 376.444 2.450 20 0 GEADLO Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC000886794974 654000466 /nfs/dbraw/zinc/00/04/66/654000466.db2.gz IOLMOAYACSVNTR-MRXNPFEDSA-N 1 2 376.444 2.450 20 0 GEADLO O=C(C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1)NCCOc1cccc(Cl)c1 ZINC000886799107 654000726 /nfs/dbraw/zinc/00/07/26/654000726.db2.gz MNOFCWVQRBAOHD-OAHLLOKOSA-N 1 2 380.794 2.082 20 0 GEADLO O=C(C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1)NCCOc1cccc(Cl)c1 ZINC000886799107 654000730 /nfs/dbraw/zinc/00/07/30/654000730.db2.gz MNOFCWVQRBAOHD-OAHLLOKOSA-N 1 2 380.794 2.082 20 0 GEADLO O=C(N[C@H]1COc2cccc(Br)c2C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000828027029 654016698 /nfs/dbraw/zinc/01/66/98/654016698.db2.gz LODTXRFYFCWMBV-NWDGAFQWSA-N 1 2 376.254 2.328 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000868082176 654017532 /nfs/dbraw/zinc/01/75/32/654017532.db2.gz ATIDSPSBKMCXMP-BOPNBLERSA-N 1 2 385.233 2.026 20 0 GEADLO Cn1cc(NC(=S)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000899498592 654018796 /nfs/dbraw/zinc/01/87/96/654018796.db2.gz JDZHXGAEXLJCCZ-HOTGVXAUSA-N 1 2 379.917 2.432 20 0 GEADLO Cn1cc(NC(=S)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000899498592 654018797 /nfs/dbraw/zinc/01/87/97/654018797.db2.gz JDZHXGAEXLJCCZ-HOTGVXAUSA-N 1 2 379.917 2.432 20 0 GEADLO Brc1ccc2c(c1)[C@@H](n1cc(CC[NH+]3CCOCC3)nn1)CCO2 ZINC000899738936 654030938 /nfs/dbraw/zinc/03/09/38/654030938.db2.gz NGGCONULHQFMLA-INIZCTEOSA-N 1 2 393.285 2.287 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CCO1 ZINC000797443317 654032200 /nfs/dbraw/zinc/03/22/00/654032200.db2.gz TUKHQUIMPGZXPN-DUVNUKRYSA-N 1 2 382.302 2.325 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CCO1 ZINC000797443317 654032202 /nfs/dbraw/zinc/03/22/02/654032202.db2.gz TUKHQUIMPGZXPN-DUVNUKRYSA-N 1 2 382.302 2.325 20 0 GEADLO [NH3+][C@@H](c1nc(C[C@@H]2CCCO2)no1)c1ccccc1I ZINC000899997720 654046550 /nfs/dbraw/zinc/04/65/50/654046550.db2.gz FCWUSRFRVUHVIB-TVQRCGJNSA-N 1 2 385.205 2.444 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2c(F)ccc(Br)c2F)CC1 ZINC000797974231 654048432 /nfs/dbraw/zinc/04/84/32/654048432.db2.gz VCKXRYHCENLRIB-NRFANRHFSA-N 1 2 381.286 2.223 20 0 GEADLO Cn1cc(Br)c(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1=O ZINC000828981169 654056847 /nfs/dbraw/zinc/05/68/47/654056847.db2.gz VQWYVSDHESNAIM-OAHLLOKOSA-N 1 2 394.244 2.074 20 0 GEADLO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Br)cc(F)c1O)CCO2 ZINC000869113473 654069562 /nfs/dbraw/zinc/06/95/62/654069562.db2.gz BQZQEWDYFXJBFF-UHFFFAOYSA-N 1 2 387.249 2.231 20 0 GEADLO C/C(=C/C(=O)N1CCC(n2cc(Br)cn2)CC1)C[NH+]1CCOCC1 ZINC000900643862 654074395 /nfs/dbraw/zinc/07/43/95/654074395.db2.gz DVAKBUDINDYJOR-UVTDQMKNSA-N 1 2 397.317 2.088 20 0 GEADLO Cc1nc(SCC(C)C)sc1CC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900805541 654081811 /nfs/dbraw/zinc/08/18/11/654081811.db2.gz QGHPANWNFDZPQJ-HIFRSBDPSA-N 1 2 384.615 2.493 20 0 GEADLO Cc1nc(SCC(C)C)sc1CC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900805541 654081814 /nfs/dbraw/zinc/08/18/14/654081814.db2.gz QGHPANWNFDZPQJ-HIFRSBDPSA-N 1 2 384.615 2.493 20 0 GEADLO C[C@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000829861943 654082299 /nfs/dbraw/zinc/08/22/99/654082299.db2.gz ACJRWNBMGLFGHR-CMPLNLGQSA-N 1 2 376.400 2.335 20 0 GEADLO C[C@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000829861943 654082304 /nfs/dbraw/zinc/08/23/04/654082304.db2.gz ACJRWNBMGLFGHR-CMPLNLGQSA-N 1 2 376.400 2.335 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cnc(Br)cc2C)C1 ZINC000900899478 654086860 /nfs/dbraw/zinc/08/68/60/654086860.db2.gz GEKVTLLLJDXXTB-LBPRGKRZSA-N 1 2 384.274 2.366 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cnc(Br)cc2C)C1 ZINC000900899478 654086862 /nfs/dbraw/zinc/08/68/62/654086862.db2.gz GEKVTLLLJDXXTB-LBPRGKRZSA-N 1 2 384.274 2.366 20 0 GEADLO C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1CCC1 ZINC000900945491 654098493 /nfs/dbraw/zinc/09/84/93/654098493.db2.gz YOHSNGUEYMUFGL-UHFFFAOYSA-N 1 2 380.495 2.367 20 0 GEADLO C[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1CCC1 ZINC000900945491 654098500 /nfs/dbraw/zinc/09/85/00/654098500.db2.gz YOHSNGUEYMUFGL-UHFFFAOYSA-N 1 2 380.495 2.367 20 0 GEADLO C[C@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000830107373 654099227 /nfs/dbraw/zinc/09/92/27/654099227.db2.gz OVRMJEZGPLUKDN-SMDDNHRTSA-N 1 2 382.873 2.058 20 0 GEADLO COc1cc(Br)cc(CNC(=O)/C=C(/C)C[NH+]2CCOCC2)c1 ZINC000830419518 654116237 /nfs/dbraw/zinc/11/62/37/654116237.db2.gz YUKAKCOQWTZKPN-QPEQYQDCSA-N 1 2 383.286 2.352 20 0 GEADLO C[C@@H](NC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000889193586 654128349 /nfs/dbraw/zinc/12/83/49/654128349.db2.gz OTEPCJGIZHVKMT-BDAKNGLRSA-N 1 2 383.802 2.323 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000889213873 654132629 /nfs/dbraw/zinc/13/26/29/654132629.db2.gz DRTYJIHBTDLCBK-SECBINFHSA-N 1 2 383.802 2.325 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000889213873 654132632 /nfs/dbraw/zinc/13/26/32/654132632.db2.gz DRTYJIHBTDLCBK-SECBINFHSA-N 1 2 383.802 2.325 20 0 GEADLO O=C(CCc1ccc(Cl)c(Cl)c1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870069686 654142018 /nfs/dbraw/zinc/14/20/18/654142018.db2.gz BERLZSAMRPXFIO-HNNXBMFYSA-N 1 2 387.307 2.486 20 0 GEADLO Cc1cc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)c(C)cc1Br ZINC000870063816 654142079 /nfs/dbraw/zinc/14/20/79/654142079.db2.gz WRQMIMOFSOITEI-OAHLLOKOSA-N 1 2 397.313 2.239 20 0 GEADLO O=C(CCSc1ccccc1Cl)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870075898 654142461 /nfs/dbraw/zinc/14/24/61/654142461.db2.gz LLJHDINUQIRPEZ-HNNXBMFYSA-N 1 2 384.929 2.382 20 0 GEADLO O=C(c1c(Br)nc2n1CCC2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000830798273 654143078 /nfs/dbraw/zinc/14/30/78/654143078.db2.gz GMQQNUSIVXYUGS-GFCCVEGCSA-N 1 2 377.242 2.280 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)C[C@@H]1C ZINC000830945253 654151201 /nfs/dbraw/zinc/15/12/01/654151201.db2.gz YBFGWVBGXFDDAZ-VIFPVBQESA-N 1 2 382.711 2.212 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)C[C@@H]1C ZINC000830945253 654151207 /nfs/dbraw/zinc/15/12/07/654151207.db2.gz YBFGWVBGXFDDAZ-VIFPVBQESA-N 1 2 382.711 2.212 20 0 GEADLO O=C(NCc1ncc(Br)cn1)c1ccccc1C[NH+]1CCOCC1 ZINC000889717539 654162419 /nfs/dbraw/zinc/16/24/19/654162419.db2.gz JXGDBKGBTIVXQF-UHFFFAOYSA-N 1 2 391.269 2.001 20 0 GEADLO Cc1ccc(-n2ccn(C[N@@H+]3CC[C@@H](CS(N)(=O)=O)C3)c2=S)cc1C ZINC000902523850 654181716 /nfs/dbraw/zinc/18/17/16/654181716.db2.gz NJJTZIWRJPBBEO-OAHLLOKOSA-N 1 2 380.539 2.193 20 0 GEADLO Cc1ccc(-n2ccn(C[N@H+]3CC[C@@H](CS(N)(=O)=O)C3)c2=S)cc1C ZINC000902523850 654181719 /nfs/dbraw/zinc/18/17/19/654181719.db2.gz NJJTZIWRJPBBEO-OAHLLOKOSA-N 1 2 380.539 2.193 20 0 GEADLO CCn1c[nH+]c2c1CCN(Cn1nc(Br)nc1Br)C2 ZINC000902551913 654183019 /nfs/dbraw/zinc/18/30/19/654183019.db2.gz YEJZHJGFZSRBKR-UHFFFAOYSA-N 1 2 390.083 2.035 20 0 GEADLO CC[N@H+]1[C@H](C)CN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@@H]1C ZINC000919579022 654185986 /nfs/dbraw/zinc/18/59/86/654185986.db2.gz ANVAMQCNWXQTOM-BETUJISGSA-N 1 2 387.933 2.145 20 0 GEADLO CC[N@@H+]1[C@H](C)CN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@@H]1C ZINC000919579022 654185988 /nfs/dbraw/zinc/18/59/88/654185988.db2.gz ANVAMQCNWXQTOM-BETUJISGSA-N 1 2 387.933 2.145 20 0 GEADLO O=C1NCCN1CC1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000902586207 654185979 /nfs/dbraw/zinc/18/59/79/654185979.db2.gz LTHCPRWNBPNGFT-UHFFFAOYSA-N 1 2 392.301 2.494 20 0 GEADLO C[C@]12CSC[C@H]1C[N@H+](Cn1nc(N3CCOCC3)n(C3CC3)c1=S)C2 ZINC000902674229 654192587 /nfs/dbraw/zinc/19/25/87/654192587.db2.gz COSZRCFRXDXXRP-DYVFJYSZSA-N 1 2 381.571 2.228 20 0 GEADLO C[C@]12CSC[C@H]1C[N@@H+](Cn1nc(N3CCOCC3)n(C3CC3)c1=S)C2 ZINC000902674229 654192590 /nfs/dbraw/zinc/19/25/90/654192590.db2.gz COSZRCFRXDXXRP-DYVFJYSZSA-N 1 2 381.571 2.228 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000919990921 654198382 /nfs/dbraw/zinc/19/83/82/654198382.db2.gz SHWBCUVJIHIKDH-MWLCHTKSSA-N 1 2 384.304 2.045 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000919990921 654198398 /nfs/dbraw/zinc/19/83/98/654198398.db2.gz SHWBCUVJIHIKDH-MWLCHTKSSA-N 1 2 384.304 2.045 20 0 GEADLO CN(C(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C1CC1 ZINC000852335298 654233078 /nfs/dbraw/zinc/23/30/78/654233078.db2.gz FIMIXDWLCPZGRX-PWSUYJOCSA-N 1 2 380.124 2.435 20 0 GEADLO CN(C(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C1CC1 ZINC000852335298 654233082 /nfs/dbraw/zinc/23/30/82/654233082.db2.gz FIMIXDWLCPZGRX-PWSUYJOCSA-N 1 2 380.124 2.435 20 0 GEADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920257814 654206443 /nfs/dbraw/zinc/20/64/43/654206443.db2.gz LUMBIYCMRDGYQT-NSHDSACASA-N 1 2 388.295 2.141 20 0 GEADLO CCCn1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)nn1 ZINC000902981111 654206520 /nfs/dbraw/zinc/20/65/20/654206520.db2.gz HWJDLMYSXDWTBZ-LLVKDONJSA-N 1 2 389.884 2.110 20 0 GEADLO Clc1cncc(OC2CC[NH+](CCn3cnc(Br)n3)CC2)n1 ZINC000851954585 654208317 /nfs/dbraw/zinc/20/83/17/654208317.db2.gz MAMZOIHCBRHTGX-UHFFFAOYSA-N 1 2 387.669 2.027 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000851960146 654208934 /nfs/dbraw/zinc/20/89/34/654208934.db2.gz GHGLNXKDQUOKID-ABAIWWIYSA-N 1 2 376.284 2.047 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000801978244 654212708 /nfs/dbraw/zinc/21/27/08/654212708.db2.gz DXQZUYUHJALYOS-INIZCTEOSA-N 1 2 376.881 2.012 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000801978244 654212714 /nfs/dbraw/zinc/21/27/14/654212714.db2.gz DXQZUYUHJALYOS-INIZCTEOSA-N 1 2 376.881 2.012 20 0 GEADLO Cn1nc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1Br ZINC000870996815 654215690 /nfs/dbraw/zinc/21/56/90/654215690.db2.gz HHIAMEOICZPPPN-UHFFFAOYSA-N 1 2 396.314 2.061 20 0 GEADLO O=C(CCc1nccs1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000920634950 654217792 /nfs/dbraw/zinc/21/77/92/654217792.db2.gz SHZNGOFCWLETQW-UHFFFAOYSA-N 1 2 379.507 2.025 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852125658 654219409 /nfs/dbraw/zinc/21/94/09/654219409.db2.gz VDYYPFWYCYDRQG-OAHLLOKOSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852125658 654219411 /nfs/dbraw/zinc/21/94/11/654219411.db2.gz VDYYPFWYCYDRQG-OAHLLOKOSA-N 1 2 390.311 2.437 20 0 GEADLO O=C(NCC[C@@H]1CNC(=O)C1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000831963311 654220005 /nfs/dbraw/zinc/22/00/05/654220005.db2.gz YLJIPPBWGNZVBU-SUMWQHHRSA-N 1 2 394.313 2.228 20 0 GEADLO COC(=O)c1n[nH]c2c1C[N@H+](C[C@H](O)c1ccc(Br)cc1)CC2 ZINC000831997924 654223606 /nfs/dbraw/zinc/22/36/06/654223606.db2.gz MWBPJFQLOREJKM-AWEZNQCLSA-N 1 2 380.242 2.051 20 0 GEADLO COC(=O)c1n[nH]c2c1C[N@@H+](C[C@H](O)c1ccc(Br)cc1)CC2 ZINC000831997924 654223610 /nfs/dbraw/zinc/22/36/10/654223610.db2.gz MWBPJFQLOREJKM-AWEZNQCLSA-N 1 2 380.242 2.051 20 0 GEADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000903206733 654226517 /nfs/dbraw/zinc/22/65/17/654226517.db2.gz KPXLYTQMHPFGSC-BETUJISGSA-N 1 2 383.901 2.082 20 0 GEADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000903206733 654226523 /nfs/dbraw/zinc/22/65/23/654226523.db2.gz KPXLYTQMHPFGSC-BETUJISGSA-N 1 2 383.901 2.082 20 0 GEADLO O=C1CCC2=C(CC[N@@H+](Cc3nnc(-c4ccc(Br)o4)o3)C2)N1 ZINC000852300675 654230687 /nfs/dbraw/zinc/23/06/87/654230687.db2.gz BOWBXMRFKCWSLT-UHFFFAOYSA-N 1 2 379.214 2.462 20 0 GEADLO O=C1CCC2=C(CC[N@H+](Cc3nnc(-c4ccc(Br)o4)o3)C2)N1 ZINC000852300675 654230693 /nfs/dbraw/zinc/23/06/93/654230693.db2.gz BOWBXMRFKCWSLT-UHFFFAOYSA-N 1 2 379.214 2.462 20 0 GEADLO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335425 654233169 /nfs/dbraw/zinc/23/31/69/654233169.db2.gz GEKOEKNYZMEBPZ-UISBYWKRSA-N 1 2 380.124 2.481 20 0 GEADLO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335425 654233175 /nfs/dbraw/zinc/23/31/75/654233175.db2.gz GEKOEKNYZMEBPZ-UISBYWKRSA-N 1 2 380.124 2.481 20 0 GEADLO COC(=O)c1coc([C@@H](C)[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000903324073 654234266 /nfs/dbraw/zinc/23/42/66/654234266.db2.gz GVGDBNZTPIULSZ-PELKAZGASA-N 1 2 394.225 2.438 20 0 GEADLO Cc1ccc(-n2c(Cl)c(C[NH2+]C[C@H](C)S(C)(=O)=O)nc2N(C)C)cc1 ZINC000802647600 654235093 /nfs/dbraw/zinc/23/50/93/654235093.db2.gz OEFMZBGFMVTMOW-ZDUSSCGKSA-N 1 2 384.933 2.423 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)n1 ZINC000921105489 654236209 /nfs/dbraw/zinc/23/62/09/654236209.db2.gz TULXQCYFCDMVAJ-SJCJKPOMSA-N 1 2 385.555 2.020 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](N3CCOC3=O)C2)ccc1Br ZINC000852431433 654238650 /nfs/dbraw/zinc/23/86/50/654238650.db2.gz BTOILVXDCLVQMZ-ZDUSSCGKSA-N 1 2 382.258 2.223 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CC[C@H](N3CCOC3=O)C2)ccc1Br ZINC000852431433 654238654 /nfs/dbraw/zinc/23/86/54/654238654.db2.gz BTOILVXDCLVQMZ-ZDUSSCGKSA-N 1 2 382.258 2.223 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000802737736 654238820 /nfs/dbraw/zinc/23/88/20/654238820.db2.gz KGGKPPSGGCVNRU-UHFFFAOYSA-N 1 2 395.297 2.491 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000802737736 654238823 /nfs/dbraw/zinc/23/88/23/654238823.db2.gz KGGKPPSGGCVNRU-UHFFFAOYSA-N 1 2 395.297 2.491 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c(Br)c1OC ZINC000852432439 654239270 /nfs/dbraw/zinc/23/92/70/654239270.db2.gz NNEZTLYSULMFIP-GFCCVEGCSA-N 1 2 385.258 2.493 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c(Br)c1OC ZINC000852432439 654239274 /nfs/dbraw/zinc/23/92/74/654239274.db2.gz NNEZTLYSULMFIP-GFCCVEGCSA-N 1 2 385.258 2.493 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)CN1Cc2c(cccc2Br)C1=O ZINC000802740212 654239872 /nfs/dbraw/zinc/23/98/72/654239872.db2.gz OIEZFFJHPGVWLA-ZDUSSCGKSA-N 1 2 382.302 2.015 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921323958 654248437 /nfs/dbraw/zinc/24/84/37/654248437.db2.gz QGMGQISTBMZMCD-OLZOCXBDSA-N 1 2 376.931 2.207 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921323958 654248440 /nfs/dbraw/zinc/24/84/40/654248440.db2.gz QGMGQISTBMZMCD-OLZOCXBDSA-N 1 2 376.931 2.207 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1OC(F)F ZINC000921324432 654248838 /nfs/dbraw/zinc/24/88/38/654248838.db2.gz YWBXKZYDRJSLSZ-VXGBXAGGSA-N 1 2 378.466 2.146 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1ccccc1OC(F)F ZINC000921324432 654248842 /nfs/dbraw/zinc/24/88/42/654248842.db2.gz YWBXKZYDRJSLSZ-VXGBXAGGSA-N 1 2 378.466 2.146 20 0 GEADLO CO[C@@H](C)CS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921330819 654249281 /nfs/dbraw/zinc/24/92/81/654249281.db2.gz QHRKEKCYABZTAI-NWANDNLSSA-N 1 2 380.432 2.004 20 0 GEADLO CO[C@@H](C)CS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921330819 654249284 /nfs/dbraw/zinc/24/92/84/654249284.db2.gz QHRKEKCYABZTAI-NWANDNLSSA-N 1 2 380.432 2.004 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCC[C@H]1c1cncc(Br)c1 ZINC000921389508 654258810 /nfs/dbraw/zinc/25/88/10/654258810.db2.gz OXRUIANYOZBMDT-AWEZNQCLSA-N 1 2 385.287 2.208 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cn2cc(Br)ncc2n1 ZINC000832336854 654260196 /nfs/dbraw/zinc/26/01/96/654260196.db2.gz ZQWOKKLSIALEFE-UHFFFAOYSA-N 1 2 375.230 2.206 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000852908272 654267410 /nfs/dbraw/zinc/26/74/10/654267410.db2.gz KTQDCBKCWHLELC-HNNXBMFYSA-N 1 2 391.269 2.032 20 0 GEADLO CC(C)CC[N@@H+]1Cc2cccc(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)c2C1 ZINC000903619657 654268542 /nfs/dbraw/zinc/26/85/42/654268542.db2.gz KVQZROGHQNSHPU-XMMPIXPASA-N 1 2 388.559 2.279 20 0 GEADLO CC(C)CC[N@H+]1Cc2cccc(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)c2C1 ZINC000903619657 654268550 /nfs/dbraw/zinc/26/85/50/654268550.db2.gz KVQZROGHQNSHPU-XMMPIXPASA-N 1 2 388.559 2.279 20 0 GEADLO CC[NH+]1CCC(NC(=O)c2cc(S(C)(=O)=O)c(C)o2)(C(F)(F)F)CC1 ZINC000891211432 654271951 /nfs/dbraw/zinc/27/19/51/654271951.db2.gz DXKOHIJOYCRWKZ-UHFFFAOYSA-N 1 2 382.404 2.138 20 0 GEADLO CN1C(=O)N(C[C@H]2CN(C)CC[N@@H+]2C)C(=O)[C@@H]1c1cccc(Cl)c1Cl ZINC000853086163 654278859 /nfs/dbraw/zinc/27/88/59/654278859.db2.gz FXLUFKRHDFXCHC-ABAIWWIYSA-N 1 2 385.295 2.174 20 0 GEADLO CN1C(=O)N(C[C@H]2CN(C)CC[N@H+]2C)C(=O)[C@@H]1c1cccc(Cl)c1Cl ZINC000853086163 654278863 /nfs/dbraw/zinc/27/88/63/654278863.db2.gz FXLUFKRHDFXCHC-ABAIWWIYSA-N 1 2 385.295 2.174 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)N[C@H]2CCOC3(CCSCC3)C2)n1 ZINC000921556041 654280347 /nfs/dbraw/zinc/28/03/47/654280347.db2.gz PXKYTCNPQBISDI-ZDUSSCGKSA-N 1 2 384.571 2.449 20 0 GEADLO Cc1cc(C)c(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)c[nH+]1 ZINC000832634958 654282463 /nfs/dbraw/zinc/28/24/63/654282463.db2.gz ZHBAHNIQJHSGBD-UHFFFAOYSA-N 1 2 390.433 2.173 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N[C@H](CO)c1ccccc1I ZINC000891326374 654287366 /nfs/dbraw/zinc/28/73/66/654287366.db2.gz UXGCFWQQJLAHKA-CQSZACIVSA-N 1 2 399.232 2.118 20 0 GEADLO Cn1ccc(-c2nc(C[NH2+]CCS(=O)(=O)Cc3ccccc3)cs2)n1 ZINC000921595815 654289138 /nfs/dbraw/zinc/28/91/38/654289138.db2.gz JARRCMVZDSKQLQ-UHFFFAOYSA-N 1 2 376.507 2.248 20 0 GEADLO O=C(/C=C/c1ccc(I)o1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804335816 654306069 /nfs/dbraw/zinc/30/60/69/654306069.db2.gz FAPYGHRBFOEBME-DFVUYQKZSA-N 1 2 383.189 2.225 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853604719 654308930 /nfs/dbraw/zinc/30/89/30/654308930.db2.gz HMSXDMWKDDKREL-DOMZBBRYSA-N 1 2 390.311 2.389 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853604719 654308932 /nfs/dbraw/zinc/30/89/32/654308932.db2.gz HMSXDMWKDDKREL-DOMZBBRYSA-N 1 2 390.311 2.389 20 0 GEADLO Cc1cc(Br)c(CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)s1 ZINC000853607329 654309339 /nfs/dbraw/zinc/30/93/39/654309339.db2.gz XLCRMIYJUUTODZ-JTQLQIEISA-N 1 2 376.320 2.339 20 0 GEADLO Cc1cc(Br)c(CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)s1 ZINC000853607329 654309341 /nfs/dbraw/zinc/30/93/41/654309341.db2.gz XLCRMIYJUUTODZ-JTQLQIEISA-N 1 2 376.320 2.339 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000891746117 654309393 /nfs/dbraw/zinc/30/93/93/654309393.db2.gz PHPANZRMXHVSNB-HNNXBMFYSA-N 1 2 395.301 2.397 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000891746117 654309397 /nfs/dbraw/zinc/30/93/97/654309397.db2.gz PHPANZRMXHVSNB-HNNXBMFYSA-N 1 2 395.301 2.397 20 0 GEADLO O=S(=O)(c1ccccc1)N1CCC[N@H+](Cc2cn3ccnc3s2)CC1 ZINC000891792735 654311986 /nfs/dbraw/zinc/31/19/86/654311986.db2.gz KUVZCXMZEQYDJW-UHFFFAOYSA-N 1 2 376.507 2.292 20 0 GEADLO O=S(=O)(c1ccccc1)N1CCC[N@@H+](Cc2cn3ccnc3s2)CC1 ZINC000891792735 654311990 /nfs/dbraw/zinc/31/19/90/654311990.db2.gz KUVZCXMZEQYDJW-UHFFFAOYSA-N 1 2 376.507 2.292 20 0 GEADLO O=C([C@H]1CCCC[N@H+]1Cc1cnc(CC(F)(F)F)s1)N1CCOCC1 ZINC000891918468 654317944 /nfs/dbraw/zinc/31/79/44/654317944.db2.gz PHSJNVUKRFGQBW-CYBMUJFWSA-N 1 2 377.432 2.461 20 0 GEADLO O=C([C@H]1CCCC[N@@H+]1Cc1cnc(CC(F)(F)F)s1)N1CCOCC1 ZINC000891918468 654317948 /nfs/dbraw/zinc/31/79/48/654317948.db2.gz PHSJNVUKRFGQBW-CYBMUJFWSA-N 1 2 377.432 2.461 20 0 GEADLO C[N@H+](Cc1ncc(Br)cc1O)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000892111053 654329706 /nfs/dbraw/zinc/32/97/06/654329706.db2.gz HODCNAXCYIHPFI-GXTWGEPZSA-N 1 2 377.304 2.337 20 0 GEADLO C[N@@H+](Cc1ncc(Br)cc1O)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000892111053 654329712 /nfs/dbraw/zinc/32/97/12/654329712.db2.gz HODCNAXCYIHPFI-GXTWGEPZSA-N 1 2 377.304 2.337 20 0 GEADLO O=C(C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1)c1ccc(Br)s1 ZINC000834596747 654337152 /nfs/dbraw/zinc/33/71/52/654337152.db2.gz CNFJQAMCSGDTCY-ZJUUUORDSA-N 1 2 375.263 2.338 20 0 GEADLO CN(CC[NH+]1CCOCC1)c1ncnc2c1c(Br)nn2C(C)(C)C ZINC000892285163 654338253 /nfs/dbraw/zinc/33/82/53/654338253.db2.gz PZSIKQBOISTYGM-UHFFFAOYSA-N 1 2 397.321 2.112 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)C3(CO)CC3)[nH+]c12 ZINC000921944284 654346497 /nfs/dbraw/zinc/34/64/97/654346497.db2.gz VEIKAOKNNOOAPT-LBPRGKRZSA-N 1 2 395.301 2.408 20 0 GEADLO Cn1cc(Br)c(C[NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)n1 ZINC000905274939 654347319 /nfs/dbraw/zinc/34/73/19/654347319.db2.gz VCQIYMNQCKHNOA-LBPRGKRZSA-N 1 2 379.258 2.193 20 0 GEADLO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)cc1 ZINC000872485307 654352896 /nfs/dbraw/zinc/35/28/96/654352896.db2.gz NPNUYOKNVHYGLT-MYYSRTQBSA-N 1 2 391.559 2.029 20 0 GEADLO O=C(C[C@H](O)C(Cl)(Cl)Cl)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000905396298 654355424 /nfs/dbraw/zinc/35/54/24/654355424.db2.gz RSBOMIRHOUTYSY-KGLIPLIRSA-N 1 2 395.714 2.125 20 0 GEADLO O=C(C[C@H](O)C(Cl)(Cl)Cl)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000905396298 654355429 /nfs/dbraw/zinc/35/54/29/654355429.db2.gz RSBOMIRHOUTYSY-KGLIPLIRSA-N 1 2 395.714 2.125 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)s1 ZINC000922025756 654356857 /nfs/dbraw/zinc/35/68/57/654356857.db2.gz JWMOCEVOLAACFA-HIFRSBDPSA-N 1 2 387.571 2.296 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)s1 ZINC000922025756 654356859 /nfs/dbraw/zinc/35/68/59/654356859.db2.gz JWMOCEVOLAACFA-HIFRSBDPSA-N 1 2 387.571 2.296 20 0 GEADLO Cn1ncc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1Br ZINC000854411738 654359500 /nfs/dbraw/zinc/35/95/00/654359500.db2.gz BUMCWDPSNPYDCD-UHFFFAOYSA-N 1 2 398.330 2.417 20 0 GEADLO S=c1n(C[N@@H+]2CC[C@H](C3OCCO3)C2)nc2ccc(Br)cn21 ZINC000905695918 654374864 /nfs/dbraw/zinc/37/48/64/654374864.db2.gz KVKBUGISBJAKAN-JTQLQIEISA-N 1 2 385.287 2.280 20 0 GEADLO S=c1n(C[N@H+]2CC[C@H](C3OCCO3)C2)nc2ccc(Br)cn21 ZINC000905695918 654374867 /nfs/dbraw/zinc/37/48/67/654374867.db2.gz KVKBUGISBJAKAN-JTQLQIEISA-N 1 2 385.287 2.280 20 0 GEADLO C[C@@H]1CC[N@H+](Cn2c(=O)oc3cc(I)ccc32)CCO1 ZINC000905743289 654378527 /nfs/dbraw/zinc/37/85/27/654378527.db2.gz NBPSNCMESIJBLT-SNVBAGLBSA-N 1 2 388.205 2.267 20 0 GEADLO C[C@@H]1CC[N@@H+](Cn2c(=O)oc3cc(I)ccc32)CCO1 ZINC000905743289 654378531 /nfs/dbraw/zinc/37/85/31/654378531.db2.gz NBPSNCMESIJBLT-SNVBAGLBSA-N 1 2 388.205 2.267 20 0 GEADLO COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854779568 654381554 /nfs/dbraw/zinc/38/15/54/654381554.db2.gz BMJSBXUNBCSQBQ-HNNXBMFYSA-N 1 2 396.241 2.096 20 0 GEADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000854895656 654388159 /nfs/dbraw/zinc/38/81/59/654388159.db2.gz BMDQIKCTXBPBLU-NSHDSACASA-N 1 2 377.229 2.066 20 0 GEADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000854895656 654388163 /nfs/dbraw/zinc/38/81/63/654388163.db2.gz BMDQIKCTXBPBLU-NSHDSACASA-N 1 2 377.229 2.066 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NCc2ccc(C[S@](C)=O)cc2)n1 ZINC000922473588 654396300 /nfs/dbraw/zinc/39/63/00/654396300.db2.gz MEDJDAACZOKZBK-VWLOTQADSA-N 1 2 380.539 2.083 20 0 GEADLO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000922493114 654397328 /nfs/dbraw/zinc/39/73/28/654397328.db2.gz KDUIIWYTEHMTGO-UHFFFAOYSA-N 1 2 394.946 2.276 20 0 GEADLO O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1occc1Br ZINC000922497772 654398021 /nfs/dbraw/zinc/39/80/21/654398021.db2.gz YCNPVPRUDFAOTL-UHFFFAOYSA-N 1 2 382.136 2.157 20 0 GEADLO O=[S@](CCS(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1)C(F)(F)F ZINC000906024434 654404308 /nfs/dbraw/zinc/40/43/08/654404308.db2.gz MKXMXLNCZSOWHR-HSZRJFAPSA-N 1 2 380.413 2.115 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1c2c(nn1C)CCSC2 ZINC000893978023 654435873 /nfs/dbraw/zinc/43/58/73/654435873.db2.gz MZPLWVBJCMGHSJ-LBPRGKRZSA-N 1 2 380.539 2.050 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1c2c(nn1C)CCSC2 ZINC000893978023 654435875 /nfs/dbraw/zinc/43/58/75/654435875.db2.gz MZPLWVBJCMGHSJ-LBPRGKRZSA-N 1 2 380.539 2.050 20 0 GEADLO Cn1cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(I)n1 ZINC000894065225 654443632 /nfs/dbraw/zinc/44/36/32/654443632.db2.gz QIWNSBUWONQOGW-JTQLQIEISA-N 1 2 391.253 2.188 20 0 GEADLO Cn1cc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(I)n1 ZINC000894065225 654443636 /nfs/dbraw/zinc/44/36/36/654443636.db2.gz QIWNSBUWONQOGW-JTQLQIEISA-N 1 2 391.253 2.188 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894113323 654447567 /nfs/dbraw/zinc/44/75/67/654447567.db2.gz HDXKCJDDOCDDEJ-NSHDSACASA-N 1 2 383.461 2.248 20 0 GEADLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894113323 654447572 /nfs/dbraw/zinc/44/75/72/654447572.db2.gz HDXKCJDDOCDDEJ-NSHDSACASA-N 1 2 383.461 2.248 20 0 GEADLO CCNC(=O)c1cccc(C[NH2+]Cc2c(I)cnn2C)c1 ZINC000894200462 654455212 /nfs/dbraw/zinc/45/52/12/654455212.db2.gz SIEUFAKPGRFUPL-UHFFFAOYSA-N 1 2 398.248 2.064 20 0 GEADLO COc1nc(C)cc(C)c1C[NH2+]Cc1cn(C)nc1I ZINC000894220429 654457322 /nfs/dbraw/zinc/45/73/22/654457322.db2.gz JGNVVYMBUNDNJV-UHFFFAOYSA-N 1 2 386.237 2.335 20 0 GEADLO C[C@@H]1CCN(C(=O)NCc2cnc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000923536608 654464429 /nfs/dbraw/zinc/46/44/29/654464429.db2.gz QENDXIFCRFOHTD-DGCLKSJQSA-N 1 2 379.262 2.228 20 0 GEADLO C[C@@H]1CCN(C(=O)NCc2cnc(Br)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000923536611 654464461 /nfs/dbraw/zinc/46/44/61/654464461.db2.gz QENDXIFCRFOHTD-YPMHNXCESA-N 1 2 379.262 2.228 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000894374662 654470785 /nfs/dbraw/zinc/47/07/85/654470785.db2.gz JSWCWUXDEIMHEM-ZWNOBZJWSA-N 1 2 377.270 2.254 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000894374662 654470790 /nfs/dbraw/zinc/47/07/90/654470790.db2.gz JSWCWUXDEIMHEM-ZWNOBZJWSA-N 1 2 377.270 2.254 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ncc(Br)cc2O)C1 ZINC000894406124 654473079 /nfs/dbraw/zinc/47/30/79/654473079.db2.gz NJXMGEDNOOMGQK-LBPRGKRZSA-N 1 2 383.164 2.477 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(Br)cc2O)C1 ZINC000894406124 654473080 /nfs/dbraw/zinc/47/30/80/654473080.db2.gz NJXMGEDNOOMGQK-LBPRGKRZSA-N 1 2 383.164 2.477 20 0 GEADLO CCOC(=O)c1ncc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)s1 ZINC000894451888 654476825 /nfs/dbraw/zinc/47/68/25/654476825.db2.gz KVBWKEPDIALAFV-UHFFFAOYSA-N 1 2 381.483 2.022 20 0 GEADLO O=C(OCc1c(Cl)cncc1Cl)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923774123 654483490 /nfs/dbraw/zinc/48/34/90/654483490.db2.gz OJILFOGDNLRLQG-ABAIWWIYSA-N 1 2 375.252 2.311 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000894773447 654498518 /nfs/dbraw/zinc/49/85/18/654498518.db2.gz HSDOMOHENPIGQT-ZJUUUORDSA-N 1 2 396.289 2.240 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000894786139 654499200 /nfs/dbraw/zinc/49/92/00/654499200.db2.gz FPTCNLDMDAZSJJ-UHFFFAOYSA-N 1 2 397.264 2.310 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000924129455 654501816 /nfs/dbraw/zinc/50/18/16/654501816.db2.gz FRNVJJJFJMLRDH-RISCZKNCSA-N 1 2 397.269 2.139 20 0 GEADLO O=C(Nc1ccc(Br)nc1)c1cccn1CC[NH+]1CCOCC1 ZINC000907043870 654503106 /nfs/dbraw/zinc/50/31/06/654503106.db2.gz FIOXCHJYSWLPLW-UHFFFAOYSA-N 1 2 379.258 2.230 20 0 GEADLO O=S(=O)(N[C@H]1CCn2cc[nH+]c2C1)c1c[nH]c2c1cccc2Br ZINC000907138917 654513793 /nfs/dbraw/zinc/51/37/93/654513793.db2.gz YBWOBVZJNZNFBX-JTQLQIEISA-N 1 2 395.282 2.420 20 0 GEADLO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)c1ncco1 ZINC000924917900 654529078 /nfs/dbraw/zinc/52/90/78/654529078.db2.gz BLVUMUFVXHAROW-ZYHUDNBSSA-N 1 2 388.205 2.370 20 0 GEADLO CC1(C)C[N@H+](CCN2C(=O)N[C@H](c3ccccc3Br)C2=O)CCO1 ZINC000925291898 654539891 /nfs/dbraw/zinc/53/98/91/654539891.db2.gz BUFSXXXVWVCJDC-CQSZACIVSA-N 1 2 396.285 2.153 20 0 GEADLO CC1(C)C[N@@H+](CCN2C(=O)N[C@H](c3ccccc3Br)C2=O)CCO1 ZINC000925291898 654539892 /nfs/dbraw/zinc/53/98/92/654539892.db2.gz BUFSXXXVWVCJDC-CQSZACIVSA-N 1 2 396.285 2.153 20 0 GEADLO O=S(=O)(C[C@H](O)C[NH2+][C@H]1COCc2cccc(Cl)c21)c1cccs1 ZINC000925604795 654546687 /nfs/dbraw/zinc/54/66/87/654546687.db2.gz BMBZEOCMBWUWNB-OCCSQVGLSA-N 1 2 387.910 2.397 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1cc(Br)cn1C ZINC000925601006 654546698 /nfs/dbraw/zinc/54/66/98/654546698.db2.gz JFCCAYHWVYOORF-AWEZNQCLSA-N 1 2 387.322 2.040 20 0 GEADLO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000925776589 654549065 /nfs/dbraw/zinc/54/90/65/654549065.db2.gz YBVUKJWQIMMUNO-HOTGVXAUSA-N 1 2 393.285 2.018 20 0 GEADLO CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000925776589 654549068 /nfs/dbraw/zinc/54/90/68/654549068.db2.gz YBVUKJWQIMMUNO-HOTGVXAUSA-N 1 2 393.285 2.018 20 0 GEADLO CC1(C)CN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC[N@@H+]1CCO ZINC000907601023 654560232 /nfs/dbraw/zinc/56/02/32/654560232.db2.gz VALGPRABUCRRRW-UHFFFAOYSA-N 1 2 382.917 2.175 20 0 GEADLO CC1(C)CN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC[N@H+]1CCO ZINC000907601023 654560236 /nfs/dbraw/zinc/56/02/36/654560236.db2.gz VALGPRABUCRRRW-UHFFFAOYSA-N 1 2 382.917 2.175 20 0 GEADLO C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)C(F)(F)c1ccc(Br)cc1 ZINC000926573861 654575660 /nfs/dbraw/zinc/57/56/60/654575660.db2.gz QSTAQHCRTGJWJC-GWCFXTLKSA-N 1 2 375.217 2.172 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000907782095 654578672 /nfs/dbraw/zinc/57/86/72/654578672.db2.gz WCLCGHUOGPTFHR-NSHDSACASA-N 1 2 389.257 2.245 20 0 GEADLO CS(=O)(=O)C[C@H](O)C[NH2+][C@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000927029654 654590286 /nfs/dbraw/zinc/59/02/86/654590286.db2.gz UUDBHUIZHFVRCT-CZUORRHYSA-N 1 2 389.304 2.473 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2ccccc2S(=O)(=O)C(F)F)n1 ZINC000927764273 654612639 /nfs/dbraw/zinc/61/26/39/654612639.db2.gz VWJWSDBCKQRYJP-UHFFFAOYSA-N 1 2 389.449 2.131 20 0 GEADLO C[C@H](Sc1ccccc1C(=O)NCc1nc(C[NH+](C)C)cs1)C(N)=O ZINC000927763212 654612729 /nfs/dbraw/zinc/61/27/29/654612729.db2.gz DGZKWRICNCSQOB-NSHDSACASA-N 1 2 378.523 2.101 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)CNC(=O)Nc2cccc(Cl)c2)n1 ZINC000927765834 654612991 /nfs/dbraw/zinc/61/29/91/654612991.db2.gz ZOEOMOITAMAGBR-UHFFFAOYSA-N 1 2 381.889 2.296 20 0 GEADLO CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927769581 654613255 /nfs/dbraw/zinc/61/32/55/654613255.db2.gz KHOXIZQENADOMW-CYIWUNGXSA-N 1 2 382.555 2.079 20 0 GEADLO Nc1ccc(CNC(=O)Cc2cc3c(cc2Br)OCCO3)c[nH+]1 ZINC000927779477 654614154 /nfs/dbraw/zinc/61/41/54/654614154.db2.gz BZQQGVZSEDWGGY-UHFFFAOYSA-N 1 2 378.226 2.056 20 0 GEADLO Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928097304 654630581 /nfs/dbraw/zinc/63/05/81/654630581.db2.gz ZRHJJCZHGMNJEW-CHWSQXEVSA-N 1 2 375.523 2.218 20 0 GEADLO Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928097304 654630585 /nfs/dbraw/zinc/63/05/85/654630585.db2.gz ZRHJJCZHGMNJEW-CHWSQXEVSA-N 1 2 375.523 2.218 20 0 GEADLO CCOC(=O)[C@@H](CSC)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000928290822 654639243 /nfs/dbraw/zinc/63/92/43/654639243.db2.gz OROJZESKGRUKQX-CQSZACIVSA-N 1 2 381.523 2.287 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000928650056 654654473 /nfs/dbraw/zinc/65/44/73/654654473.db2.gz JNZKFXLKAWMKRS-OAHLLOKOSA-N 1 2 382.302 2.103 20 0 GEADLO C[C@@H](CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)c1ccc(Br)cc1 ZINC000929005924 654670119 /nfs/dbraw/zinc/67/01/19/654670119.db2.gz QIWCRBJYTZNZSR-HZMBPMFUSA-N 1 2 377.242 2.439 20 0 GEADLO C[C@@H](CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)c1ccc(Br)cc1 ZINC000929005924 654670122 /nfs/dbraw/zinc/67/01/22/654670122.db2.gz QIWCRBJYTZNZSR-HZMBPMFUSA-N 1 2 377.242 2.439 20 0 GEADLO COCCOCCOCC[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000929287732 654678072 /nfs/dbraw/zinc/67/80/72/654678072.db2.gz GJPAIPOCTTZMLI-UHFFFAOYSA-N 1 2 378.300 2.190 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)Nc2cccc(CS(C)(=O)=O)c2)n1 ZINC000930022726 654697739 /nfs/dbraw/zinc/69/77/39/654697739.db2.gz LYOGAHJLSGEYNS-UHFFFAOYSA-N 1 2 382.511 2.071 20 0 GEADLO CCOCCOCC[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000930306223 654705419 /nfs/dbraw/zinc/70/54/19/654705419.db2.gz SDNFMOPDSUEWAE-UHFFFAOYSA-N 1 2 379.320 2.242 20 0 GEADLO CC1(C)[C@@H](NC(=O)c2cc(Br)cc(C=O)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000911841186 654733828 /nfs/dbraw/zinc/73/38/28/654733828.db2.gz ABXJAMALVMSNCB-HOTGVXAUSA-N 1 2 395.297 2.491 20 0 GEADLO COc1ccc(Br)c(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC000931340371 654738804 /nfs/dbraw/zinc/73/88/04/654738804.db2.gz XXWIYYCPHCWJEL-CJNGLKHVSA-N 1 2 399.285 2.276 20 0 GEADLO COC1(OC)CCOC[C@H]1[NH2+]Cc1nc2ccc(Br)cc2n1C ZINC000931675485 654753058 /nfs/dbraw/zinc/75/30/58/654753058.db2.gz OPGMEASHHGORPW-CQSZACIVSA-N 1 2 384.274 2.203 20 0 GEADLO CC(C)(CNC(=O)COc1ccc(C=O)cc1Br)n1cc[nH+]c1 ZINC000912615021 654760926 /nfs/dbraw/zinc/76/09/26/654760926.db2.gz HYTVIZFRZNQWMJ-UHFFFAOYSA-N 1 2 380.242 2.388 20 0 GEADLO O[C@@H](C[N@@H+]1CCc2c(Cl)ccc(Br)c2C1)C1(O)CCOCC1 ZINC000932753575 654788400 /nfs/dbraw/zinc/78/84/00/654788400.db2.gz IEGKBQXCJSSUBF-HNNXBMFYSA-N 1 2 390.705 2.363 20 0 GEADLO O[C@@H](C[N@H+]1CCc2c(Cl)ccc(Br)c2C1)C1(O)CCOCC1 ZINC000932753575 654788402 /nfs/dbraw/zinc/78/84/02/654788402.db2.gz IEGKBQXCJSSUBF-HNNXBMFYSA-N 1 2 390.705 2.363 20 0 GEADLO CCS(=O)(=O)CC[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932809843 654791479 /nfs/dbraw/zinc/79/14/79/654791479.db2.gz OXCBCMDHTIYBKI-OAHLLOKOSA-N 1 2 376.316 2.167 20 0 GEADLO CCS(=O)(=O)CC[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932809843 654791483 /nfs/dbraw/zinc/79/14/83/654791483.db2.gz OXCBCMDHTIYBKI-OAHLLOKOSA-N 1 2 376.316 2.167 20 0 GEADLO O=C(CCOc1cccc(Br)c1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913441408 654792012 /nfs/dbraw/zinc/79/20/12/654792012.db2.gz KIGSGGHCZXINTE-HNNXBMFYSA-N 1 2 379.258 2.114 20 0 GEADLO Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c1I ZINC000913442323 654792194 /nfs/dbraw/zinc/79/21/94/654792194.db2.gz FEXSCFZFXIFYHA-CYBMUJFWSA-N 1 2 396.232 2.109 20 0 GEADLO O=C(N1CC[NH2+][C@H](c2cn[nH]c2)C1)C1(c2cccc(Br)c2)CC1 ZINC000913443234 654792254 /nfs/dbraw/zinc/79/22/54/654792254.db2.gz NMOQYTJBNUEZMM-HNNXBMFYSA-N 1 2 375.270 2.377 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913447675 654792453 /nfs/dbraw/zinc/79/24/53/654792453.db2.gz SGWMRTBBTDQRLY-ABAIWWIYSA-N 1 2 379.258 2.113 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N1CC(n2cc[nH+]c2)C1 ZINC000932827302 654792689 /nfs/dbraw/zinc/79/26/89/654792689.db2.gz UGOTZBYWYBEGTG-CYBMUJFWSA-N 1 2 375.226 2.155 20 0 GEADLO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913454367 654792795 /nfs/dbraw/zinc/79/27/95/654792795.db2.gz UWRSBIADFDLXOB-XHSDSOJGSA-N 1 2 375.270 2.449 20 0 GEADLO O=C(Cc1c[nH]c2ccc(Br)cc12)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913457590 654793068 /nfs/dbraw/zinc/79/30/68/654793068.db2.gz FCUZLIBRURZIJF-MRXNPFEDSA-N 1 2 388.269 2.369 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913465678 654794315 /nfs/dbraw/zinc/79/43/15/654794315.db2.gz AIXLTYTVIBAJCV-NSHDSACASA-N 1 2 399.314 2.348 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)CCOc3cccc(Br)c3)CC[NH2+]2)cn1 ZINC000913475708 654794801 /nfs/dbraw/zinc/79/48/01/654794801.db2.gz NOUQHXZYMNMEEZ-MRXNPFEDSA-N 1 2 393.285 2.125 20 0 GEADLO CCn1c(Br)ncc1C(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC000913481892 654795096 /nfs/dbraw/zinc/79/50/96/654795096.db2.gz CKRNLWKVRZOCDI-AWEZNQCLSA-N 1 2 393.285 2.461 20 0 GEADLO C/C(=C/C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)C[NH+]1CCOCC1 ZINC000913654127 654802861 /nfs/dbraw/zinc/80/28/61/654802861.db2.gz WKBPYPJPQZUGMV-KAVWEEFCSA-N 1 2 391.309 2.482 20 0 GEADLO O=S(=O)(Cc1cccc(Cl)c1Br)NCCn1cc[nH+]c1 ZINC000913854215 654811903 /nfs/dbraw/zinc/81/19/03/654811903.db2.gz BTGDWERRWZVISI-UHFFFAOYSA-N 1 2 378.679 2.419 20 0 GEADLO C[C@@H]1CS(=O)(=O)CCCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000913890905 654814108 /nfs/dbraw/zinc/81/41/08/654814108.db2.gz FFZDLBSBILVZSU-CABCVRRESA-N 1 2 385.555 2.104 20 0 GEADLO O=C(N[C@@H]1CCC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1 ZINC000933637403 654818568 /nfs/dbraw/zinc/81/85/68/654818568.db2.gz KBKZGJJWAVWGDD-RHSMWYFYSA-N 1 2 384.929 2.359 20 0 GEADLO O=C(N[C@@H]1CCC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1 ZINC000933637403 654818570 /nfs/dbraw/zinc/81/85/70/654818570.db2.gz KBKZGJJWAVWGDD-RHSMWYFYSA-N 1 2 384.929 2.359 20 0 GEADLO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000914094504 654826324 /nfs/dbraw/zinc/82/63/24/654826324.db2.gz IUDULPSCYYXXIP-LLVKDONJSA-N 1 2 380.388 2.148 20 0 GEADLO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000914094504 654826327 /nfs/dbraw/zinc/82/63/27/654826327.db2.gz IUDULPSCYYXXIP-LLVKDONJSA-N 1 2 380.388 2.148 20 0 GEADLO O=C(N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000914172625 654831783 /nfs/dbraw/zinc/83/17/83/654831783.db2.gz NSBNWRPOWLHNSG-DWQUBVKVSA-N 1 2 390.281 2.374 20 0 GEADLO O=C(c1ccc(Br)[nH]c1=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000934214815 654838914 /nfs/dbraw/zinc/83/89/14/654838914.db2.gz HBMFAJGBGVFEHA-UHFFFAOYSA-N 1 2 392.253 2.213 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1c(Br)cnn1C1CC1 ZINC000934371983 654847338 /nfs/dbraw/zinc/84/73/38/654847338.db2.gz QFZNNWIRTOMDEO-YPMHNXCESA-N 1 2 398.305 2.307 20 0 GEADLO O[C@@H](C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1)c1cc(Br)no1 ZINC000934492847 654850750 /nfs/dbraw/zinc/85/07/50/654850750.db2.gz HPNCKTJSALDZMG-FZMZJTMJSA-N 1 2 379.258 2.350 20 0 GEADLO O[C@@H](C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1)c1cc(Br)no1 ZINC000934492847 654850751 /nfs/dbraw/zinc/85/07/51/654850751.db2.gz HPNCKTJSALDZMG-FZMZJTMJSA-N 1 2 379.258 2.350 20 0 GEADLO CCOC(=O)c1ncc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)s1 ZINC000934757508 654858151 /nfs/dbraw/zinc/85/81/51/654858151.db2.gz VYFMAPNNZXYYIF-RUZDIDTESA-N 1 2 388.559 2.106 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(Br)[nH]c1=O ZINC000934960599 654868349 /nfs/dbraw/zinc/86/83/49/654868349.db2.gz DNPWNMCSKITRCW-UHFFFAOYSA-N 1 2 393.241 2.342 20 0 GEADLO O=C(CS(=O)(=O)c1cccc(Br)c1)OCC[NH+]1CCCCC1 ZINC000915565524 654873504 /nfs/dbraw/zinc/87/35/04/654873504.db2.gz CKVCKICCYKNVDD-UHFFFAOYSA-N 1 2 390.299 2.252 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)/C=C/c2ccc(C)cc2Br)CC1 ZINC000915624235 654875397 /nfs/dbraw/zinc/87/53/97/654875397.db2.gz MPJVJFWFTPEBGO-AATRIKPKSA-N 1 2 394.313 2.051 20 0 GEADLO O=C(C/C=C\c1ccc(Br)cc1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000935843169 654921167 /nfs/dbraw/zinc/92/11/67/654921167.db2.gz OFXFELXFIRKMRV-MPXGXIRNSA-N 1 2 378.314 2.359 20 0 GEADLO O=C(C/C=C\c1ccc(Br)cc1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000935843169 654921169 /nfs/dbraw/zinc/92/11/69/654921169.db2.gz OFXFELXFIRKMRV-MPXGXIRNSA-N 1 2 378.314 2.359 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(OC(C)C)n1 ZINC001164700444 719858239 /nfs/dbraw/zinc/85/82/39/719858239.db2.gz HEYVJQMFUQFITF-OXJNMPFZSA-N 1 2 377.485 2.102 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(OC)c2ccccc2n1 ZINC001164706603 719862420 /nfs/dbraw/zinc/86/24/20/719862420.db2.gz YDINMVYKTGHTNB-OPAMFIHVSA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2cc(F)ccc2n1 ZINC001164702577 719863058 /nfs/dbraw/zinc/86/30/58/719863058.db2.gz NZETTZXYXXPLRJ-OXQOHEQNSA-N 1 2 388.443 2.002 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(SC)cc1C ZINC001164707826 719865491 /nfs/dbraw/zinc/86/54/91/719865491.db2.gz VSLKXHZEGOLXJD-KXBFYZLASA-N 1 2 379.526 2.345 20 0 GEADLO COC(=O)c1cc(Cl)cnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165007522 721695653 /nfs/dbraw/zinc/69/56/53/721695653.db2.gz DMZIWGWKRGYPRF-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO COC(=O)c1cc(Cl)cnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165007522 721695660 /nfs/dbraw/zinc/69/56/60/721695660.db2.gz DMZIWGWKRGYPRF-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO Cc1nc2nc(Cl)nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2[nH]1 ZINC001165009551 721699953 /nfs/dbraw/zinc/69/99/53/721699953.db2.gz BDCHZTSORXCMLH-UHFFFAOYSA-N 1 2 389.895 2.157 20 0 GEADLO Cc1nc2nc(Cl)nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2[nH]1 ZINC001165009551 721699955 /nfs/dbraw/zinc/69/99/55/721699955.db2.gz BDCHZTSORXCMLH-UHFFFAOYSA-N 1 2 389.895 2.157 20 0 GEADLO Fc1cc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912979 721770870 /nfs/dbraw/zinc/77/08/70/721770870.db2.gz SMGHGYLDUHEDNX-LJQANCHMSA-N 1 2 392.862 2.377 20 0 GEADLO Fc1cc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912979 721770871 /nfs/dbraw/zinc/77/08/71/721770871.db2.gz SMGHGYLDUHEDNX-LJQANCHMSA-N 1 2 392.862 2.377 20 0 GEADLO CC(C)c1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164912822 721779142 /nfs/dbraw/zinc/77/91/42/721779142.db2.gz QJWAMHNLATVUAC-OAQYLSRUSA-N 1 2 383.496 2.103 20 0 GEADLO CC(C)c1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164912822 721779147 /nfs/dbraw/zinc/77/91/47/721779147.db2.gz QJWAMHNLATVUAC-OAQYLSRUSA-N 1 2 383.496 2.103 20 0 GEADLO c1ccc2nnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc2c1 ZINC001164916050 721784240 /nfs/dbraw/zinc/78/42/40/721784240.db2.gz OLKSBAQGDOEJHN-JOCHJYFZSA-N 1 2 391.475 2.133 20 0 GEADLO c1ccc2nnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc2c1 ZINC001164916050 721784241 /nfs/dbraw/zinc/78/42/41/721784241.db2.gz OLKSBAQGDOEJHN-JOCHJYFZSA-N 1 2 391.475 2.133 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(NC(=O)C(C)(C)C)nn2)CC1 ZINC001164918460 721815317 /nfs/dbraw/zinc/81/53/17/721815317.db2.gz ZCOVPMILFPGSCF-UHFFFAOYSA-N 1 2 397.527 2.407 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncccc2-c2nc(C)no2)CC1 ZINC001164918262 721819461 /nfs/dbraw/zinc/81/94/61/721819461.db2.gz LIFSWXNCQYRCAG-UHFFFAOYSA-N 1 2 379.468 2.386 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1Br ZINC000521313698 531243126 /nfs/dbraw/zinc/24/31/26/531243126.db2.gz ZBEIJAZPVHOHFE-UHFFFAOYSA-N 1 2 379.258 2.230 20 0 GEADLO Cc1cc(N2CC[C@H]([N@@H+](C)Cc3cc(Br)cn3C)C2=O)n(C)n1 ZINC000151627320 531512169 /nfs/dbraw/zinc/51/21/69/531512169.db2.gz MXDSBCKJTMBWQQ-AWEZNQCLSA-N 1 2 380.290 2.067 20 0 GEADLO Cc1cc(N2CC[C@H]([N@H+](C)Cc3cc(Br)cn3C)C2=O)n(C)n1 ZINC000151627320 531512174 /nfs/dbraw/zinc/51/21/74/531512174.db2.gz MXDSBCKJTMBWQQ-AWEZNQCLSA-N 1 2 380.290 2.067 20 0 GEADLO C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1I ZINC000152777331 531569523 /nfs/dbraw/zinc/56/95/23/531569523.db2.gz LFIZRXYDPDCPFU-NWDGAFQWSA-N 1 2 388.249 2.465 20 0 GEADLO C[C@H](O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1I ZINC000152777331 531569529 /nfs/dbraw/zinc/56/95/29/531569529.db2.gz LFIZRXYDPDCPFU-NWDGAFQWSA-N 1 2 388.249 2.465 20 0 GEADLO CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000152747635 531568493 /nfs/dbraw/zinc/56/84/93/531568493.db2.gz IGUBNUJYSOKAOQ-YOEHRIQHSA-N 1 2 398.345 2.015 20 0 GEADLO Cc1sc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1CS(C)(=O)=O ZINC000152840535 531573693 /nfs/dbraw/zinc/57/36/93/531573693.db2.gz RCXRDXNNVFDJRZ-AWEZNQCLSA-N 1 2 379.507 2.005 20 0 GEADLO O=C(Cc1cc(Br)ccc1F)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000153080704 531587728 /nfs/dbraw/zinc/58/77/28/531587728.db2.gz HUEHUSZZNNEYRS-HNNXBMFYSA-N 1 2 385.277 2.454 20 0 GEADLO Cc1cc(=O)n2nc(CN3CC[NH+](Cc4ccc(Cl)s4)CC3)sc2n1 ZINC000022777352 531592593 /nfs/dbraw/zinc/59/25/93/531592593.db2.gz LOXCMJOUIYLGRL-UHFFFAOYSA-N 1 2 395.941 2.492 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1Br ZINC000026174997 531617564 /nfs/dbraw/zinc/61/75/64/531617564.db2.gz PDNKCSQRKLRICN-ZDUSSCGKSA-N 1 2 379.295 2.492 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1Br ZINC000026174997 531617569 /nfs/dbraw/zinc/61/75/69/531617569.db2.gz PDNKCSQRKLRICN-ZDUSSCGKSA-N 1 2 379.295 2.492 20 0 GEADLO CCOc1cccc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c1OC(F)F ZINC000154061870 531619586 /nfs/dbraw/zinc/61/95/86/531619586.db2.gz IYZZOESITJRAEB-CYBMUJFWSA-N 1 2 378.441 2.200 20 0 GEADLO CCOc1cccc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c1OC(F)F ZINC000154061870 531619594 /nfs/dbraw/zinc/61/95/94/531619594.db2.gz IYZZOESITJRAEB-CYBMUJFWSA-N 1 2 378.441 2.200 20 0 GEADLO Cc1ccc(Cl)cc1S(=O)(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000026821320 531619612 /nfs/dbraw/zinc/61/96/12/531619612.db2.gz VLIQAVGJIOVDHZ-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000030132868 531633987 /nfs/dbraw/zinc/63/39/87/531633987.db2.gz NLLNBDPPZLFJLE-CYBMUJFWSA-N 1 2 387.933 2.461 20 0 GEADLO CC(C)c1nnc(NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)s1 ZINC000154870950 531637381 /nfs/dbraw/zinc/63/73/81/531637381.db2.gz JOUBOBVRPITFEC-UHFFFAOYSA-N 1 2 382.511 2.249 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cncc(Br)c1 ZINC000032247959 531649855 /nfs/dbraw/zinc/64/98/55/531649855.db2.gz FJZKVUOFESCMCR-QGZVFWFLSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cncc(Br)c1 ZINC000032247959 531649863 /nfs/dbraw/zinc/64/98/63/531649863.db2.gz FJZKVUOFESCMCR-QGZVFWFLSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(c1cncc(I)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000155160709 531661675 /nfs/dbraw/zinc/66/16/75/531661675.db2.gz VZAUGUKDLBFYBX-UHFFFAOYSA-N 1 2 394.216 2.044 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000041638197 531667647 /nfs/dbraw/zinc/66/76/47/531667647.db2.gz PHUFGHBKEGGFNL-UHFFFAOYSA-N 1 2 391.269 2.473 20 0 GEADLO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2)c[nH+]1 ZINC000041637450 531667817 /nfs/dbraw/zinc/66/78/17/531667817.db2.gz LKQBCUVAQDFYPF-UHFFFAOYSA-N 1 2 377.242 2.165 20 0 GEADLO O=C(C[N@H+]1CCCN(CC(F)(F)F)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000155866697 531702242 /nfs/dbraw/zinc/70/22/42/531702242.db2.gz DWVNJOQLUQCDBU-GFCCVEGCSA-N 1 2 375.357 2.357 20 0 GEADLO O=C(C[N@@H+]1CCCN(CC(F)(F)F)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000155866697 531702252 /nfs/dbraw/zinc/70/22/52/531702252.db2.gz DWVNJOQLUQCDBU-GFCCVEGCSA-N 1 2 375.357 2.357 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1cc(Br)cs1 ZINC000046480872 531703113 /nfs/dbraw/zinc/70/31/13/531703113.db2.gz FZDIAJKXSPKLNP-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccc(Br)o1 ZINC000048052892 531726564 /nfs/dbraw/zinc/72/65/64/531726564.db2.gz AWLFVBIIQDTATR-CYBMUJFWSA-N 1 2 387.274 2.418 20 0 GEADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000048052892 531726567 /nfs/dbraw/zinc/72/65/67/531726567.db2.gz AWLFVBIIQDTATR-CYBMUJFWSA-N 1 2 387.274 2.418 20 0 GEADLO CCS[C@H]1CCC[C@@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000156294234 531726617 /nfs/dbraw/zinc/72/66/17/531726617.db2.gz WHRAEBOOMSDDFN-HOTGVXAUSA-N 1 2 384.567 2.426 20 0 GEADLO CC(C)(CNC(=O)NCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000047618351 531717412 /nfs/dbraw/zinc/71/74/12/531717412.db2.gz YPPAIUOLBNJTML-UHFFFAOYSA-N 1 2 384.318 2.358 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000053217902 531758868 /nfs/dbraw/zinc/75/88/68/531758868.db2.gz LTGNYXFHIIDURS-OAHLLOKOSA-N 1 2 387.933 2.381 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000053217902 531758878 /nfs/dbraw/zinc/75/88/78/531758878.db2.gz LTGNYXFHIIDURS-OAHLLOKOSA-N 1 2 387.933 2.381 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)CSc2[nH+]cc3ccccn32)cc1 ZINC000053508760 531766304 /nfs/dbraw/zinc/76/63/04/531766304.db2.gz BOCGIIXKFZCBLE-UHFFFAOYSA-N 1 2 375.475 2.146 20 0 GEADLO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000052817886 531750612 /nfs/dbraw/zinc/75/06/12/531750612.db2.gz VZWMHMFNRWSVLL-UHFFFAOYSA-N 1 2 376.873 2.290 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000055041631 531781024 /nfs/dbraw/zinc/78/10/24/531781024.db2.gz VFRFWSDDTPZIDP-AWEZNQCLSA-N 1 2 391.269 2.194 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000054372752 531778171 /nfs/dbraw/zinc/77/81/71/531778171.db2.gz VZVFRLYORQNHNN-LBPRGKRZSA-N 1 2 384.293 2.373 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000058923385 531838475 /nfs/dbraw/zinc/83/84/75/531838475.db2.gz BNZRQPISRBLDPJ-CYBMUJFWSA-N 1 2 387.933 2.331 20 0 GEADLO Cn1c(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)nnc1C1CC1 ZINC000061311127 531851602 /nfs/dbraw/zinc/85/16/02/531851602.db2.gz KDSRUDMIFIBYDC-UHFFFAOYSA-N 1 2 377.539 2.191 20 0 GEADLO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[NH+](C2CC2)CC1 ZINC000162302877 531841031 /nfs/dbraw/zinc/84/10/31/531841031.db2.gz PUUQIGKICQJINU-UHFFFAOYSA-N 1 2 381.242 2.196 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC000060387352 531840937 /nfs/dbraw/zinc/84/09/37/531840937.db2.gz CVAHRFYNJIMEDD-UHFFFAOYSA-N 1 2 379.869 2.101 20 0 GEADLO CSc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000064595514 531868763 /nfs/dbraw/zinc/86/87/63/531868763.db2.gz CJKFXGJXPFPRBJ-UHFFFAOYSA-N 1 2 379.507 2.119 20 0 GEADLO O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000163752195 531862579 /nfs/dbraw/zinc/86/25/79/531862579.db2.gz JFEUVTJECBSBDG-OAHLLOKOSA-N 1 2 386.279 2.255 20 0 GEADLO Brc1ccc(C[NH+]2CCN(Cc3nnnn3C3CC3)CC2)cc1 ZINC000163943635 531864390 /nfs/dbraw/zinc/86/43/90/531864390.db2.gz FGUDPPQFAJUDFP-UHFFFAOYSA-N 1 2 377.290 2.088 20 0 GEADLO O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000163773232 531864527 /nfs/dbraw/zinc/86/45/27/531864527.db2.gz GVKFOBCRVFJVDS-ZDUSSCGKSA-N 1 2 386.279 2.255 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)Cc1c(F)cccc1F ZINC000165366856 531871684 /nfs/dbraw/zinc/87/16/84/531871684.db2.gz KDAIOIAQIUFEEO-UHFFFAOYSA-N 1 2 376.469 2.085 20 0 GEADLO CCCC[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000066371807 531874289 /nfs/dbraw/zinc/87/42/89/531874289.db2.gz CIJWVMGLKCTJMW-UHFFFAOYSA-N 1 2 388.555 2.170 20 0 GEADLO C[C@@H](NC(=O)NCc1sccc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000171669205 531910588 /nfs/dbraw/zinc/91/05/88/531910588.db2.gz FDFIPMNPOWCTBK-MNOVXSKESA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C(=O)NCc1ccccc1 ZINC000171758748 531914285 /nfs/dbraw/zinc/91/42/85/531914285.db2.gz CGAZEWPJHXXGHO-WBMJQRKESA-N 1 2 390.281 2.270 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000069868332 531913662 /nfs/dbraw/zinc/91/36/62/531913662.db2.gz YTNARUPGNDPISW-AWEZNQCLSA-N 1 2 388.917 2.082 20 0 GEADLO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c2cc(Br)ccc2n1 ZINC000171286902 531902390 /nfs/dbraw/zinc/90/23/90/531902390.db2.gz WGAYDWDSIMXCEX-ZDUSSCGKSA-N 1 2 378.270 2.366 20 0 GEADLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c2cc(Br)ccc2n1 ZINC000171286902 531902396 /nfs/dbraw/zinc/90/23/96/531902396.db2.gz WGAYDWDSIMXCEX-ZDUSSCGKSA-N 1 2 378.270 2.366 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2cc(Br)cnc2Cl)CCO1 ZINC000171302863 531904019 /nfs/dbraw/zinc/90/40/19/531904019.db2.gz YBWUKEKYGVOMMV-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2cc(Br)cnc2Cl)CCO1 ZINC000171302863 531904027 /nfs/dbraw/zinc/90/40/27/531904027.db2.gz YBWUKEKYGVOMMV-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO Cc1cc(OC[C@@H](O)C[N@H+](C)CCS(C)(=O)=O)c(C(C)C)cc1Cl ZINC000076492816 531917921 /nfs/dbraw/zinc/91/79/21/531917921.db2.gz GUTYZBGVPNDYIA-AWEZNQCLSA-N 1 2 377.934 2.488 20 0 GEADLO Cc1cc(OC[C@@H](O)C[N@@H+](C)CCS(C)(=O)=O)c(C(C)C)cc1Cl ZINC000076492816 531917929 /nfs/dbraw/zinc/91/79/29/531917929.db2.gz GUTYZBGVPNDYIA-AWEZNQCLSA-N 1 2 377.934 2.488 20 0 GEADLO CN(C)c1nnc(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)s1 ZINC000171794195 531918553 /nfs/dbraw/zinc/91/85/53/531918553.db2.gz FUBFMIQYCMLAOB-UHFFFAOYSA-N 1 2 384.556 2.387 20 0 GEADLO CNC(=O)c1cccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000171758443 531914915 /nfs/dbraw/zinc/91/49/15/531914915.db2.gz GHDHMOUPRPMOCM-HNNXBMFYSA-N 1 2 376.254 2.125 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000171999838 531928745 /nfs/dbraw/zinc/92/87/45/531928745.db2.gz JZSAECRPUVTVMK-SNVBAGLBSA-N 1 2 378.288 2.433 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000171999838 531928751 /nfs/dbraw/zinc/92/87/51/531928751.db2.gz JZSAECRPUVTVMK-SNVBAGLBSA-N 1 2 378.288 2.433 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)CS(C)(=O)=O)c1ccccc1Cl ZINC000172238082 531941728 /nfs/dbraw/zinc/94/17/28/531941728.db2.gz DGOSEZLTKGTSIO-XJKSGUPXSA-N 1 2 389.949 2.455 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](OCCO)C1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000172293135 531943891 /nfs/dbraw/zinc/94/38/91/531943891.db2.gz BVOSJTNJQHOLKI-GFCCVEGCSA-N 1 2 378.803 2.353 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](OCCO)C1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000172293135 531943895 /nfs/dbraw/zinc/94/38/95/531943895.db2.gz BVOSJTNJQHOLKI-GFCCVEGCSA-N 1 2 378.803 2.353 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)c1 ZINC000112361203 531947844 /nfs/dbraw/zinc/94/78/44/531947844.db2.gz PGDRGAVWDLLZFX-CQSZACIVSA-N 1 2 390.933 2.374 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114855697 531957585 /nfs/dbraw/zinc/95/75/85/531957585.db2.gz GALPROBXMLNESY-BLLLJJGKSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114855697 531957590 /nfs/dbraw/zinc/95/75/90/531957590.db2.gz GALPROBXMLNESY-BLLLJJGKSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000172476828 531954343 /nfs/dbraw/zinc/95/43/43/531954343.db2.gz IKHFIFCIUHEVKT-AWEZNQCLSA-N 1 2 395.345 2.153 20 0 GEADLO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000172735098 531965453 /nfs/dbraw/zinc/96/54/53/531965453.db2.gz SRTLKLRITQHBAE-GDBMZVCRSA-N 1 2 383.286 2.452 20 0 GEADLO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000172735098 531965457 /nfs/dbraw/zinc/96/54/57/531965457.db2.gz SRTLKLRITQHBAE-GDBMZVCRSA-N 1 2 383.286 2.452 20 0 GEADLO C[C@H](NC(=O)NCCc1nc(C(F)(F)F)cs1)[C@H](C)[NH+]1CCOCC1 ZINC000173189850 531994207 /nfs/dbraw/zinc/99/42/07/531994207.db2.gz OUKOIRVWXJIKCS-QWRGUYRKSA-N 1 2 380.436 2.113 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)C1 ZINC000173080682 531986606 /nfs/dbraw/zinc/98/66/06/531986606.db2.gz PIHJLDYPIRXQGT-LBPRGKRZSA-N 1 2 383.539 2.203 20 0 GEADLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)C1 ZINC000173080682 531986613 /nfs/dbraw/zinc/98/66/13/531986613.db2.gz PIHJLDYPIRXQGT-LBPRGKRZSA-N 1 2 383.539 2.203 20 0 GEADLO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000121050618 532009944 /nfs/dbraw/zinc/00/99/44/532009944.db2.gz GKDDQIDZHQMXCS-KBPBESRZSA-N 1 2 380.794 2.095 20 0 GEADLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1ccc(Br)cc1 ZINC000173633175 532024291 /nfs/dbraw/zinc/02/42/91/532024291.db2.gz ICNZCDCASPVHCI-NSHDSACASA-N 1 2 378.274 2.494 20 0 GEADLO Cc1cc(NC(=O)CN2CCC[C@@H]2C[NH+]2CCOCC2)ccc1Br ZINC000173686023 532026308 /nfs/dbraw/zinc/02/63/08/532026308.db2.gz GBGNMQWNVNPNOA-MRXNPFEDSA-N 1 2 396.329 2.493 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000173764261 532032849 /nfs/dbraw/zinc/03/28/49/532032849.db2.gz IOSHGHRZAKDGHW-WBMJQRKESA-N 1 2 383.286 2.196 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000173764261 532032855 /nfs/dbraw/zinc/03/28/55/532032855.db2.gz IOSHGHRZAKDGHW-WBMJQRKESA-N 1 2 383.286 2.196 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000121545806 532034726 /nfs/dbraw/zinc/03/47/26/532034726.db2.gz CUNXSKFTAMJRSU-CXAGYDPISA-N 1 2 397.313 2.493 20 0 GEADLO CCOC(=O)CCCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000121749845 532045124 /nfs/dbraw/zinc/04/51/24/532045124.db2.gz LPMBEEPNJZAFPE-DOTOQJQBSA-N 1 2 388.917 2.348 20 0 GEADLO CCOC(=O)CCCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000121749845 532045128 /nfs/dbraw/zinc/04/51/28/532045128.db2.gz LPMBEEPNJZAFPE-DOTOQJQBSA-N 1 2 388.917 2.348 20 0 GEADLO CCc1nsc(N2CCC[N@H+](CC(=O)Nc3ccc(Cl)cn3)CC2)n1 ZINC000174046076 532047470 /nfs/dbraw/zinc/04/74/70/532047470.db2.gz NAVPRGVTQCAIPM-UHFFFAOYSA-N 1 2 380.905 2.300 20 0 GEADLO CCc1nsc(N2CCC[N@@H+](CC(=O)Nc3ccc(Cl)cn3)CC2)n1 ZINC000174046076 532047475 /nfs/dbraw/zinc/04/74/75/532047475.db2.gz NAVPRGVTQCAIPM-UHFFFAOYSA-N 1 2 380.905 2.300 20 0 GEADLO CCC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)CC(=O)N(C)C ZINC000174127415 532050050 /nfs/dbraw/zinc/05/00/50/532050050.db2.gz JMXRWLSVCMTYFJ-UHFFFAOYSA-N 1 2 392.244 2.466 20 0 GEADLO CCC[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)CC(=O)N(C)C ZINC000174127415 532050053 /nfs/dbraw/zinc/05/00/53/532050053.db2.gz JMXRWLSVCMTYFJ-UHFFFAOYSA-N 1 2 392.244 2.466 20 0 GEADLO C[C@H](CO[C@@H]1CCOC1)NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000122188777 532061061 /nfs/dbraw/zinc/06/10/61/532061061.db2.gz HHNRQNJWYPMNEY-BXUZGUMPSA-N 1 2 397.273 2.090 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC000122340425 532066067 /nfs/dbraw/zinc/06/60/67/532066067.db2.gz VVRPYGYUHAFUSR-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC000122340425 532066070 /nfs/dbraw/zinc/06/60/70/532066070.db2.gz VVRPYGYUHAFUSR-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1cc(F)c(Br)cc1F ZINC000122424963 532069967 /nfs/dbraw/zinc/06/99/67/532069967.db2.gz LENIQQDWORVWTJ-UHFFFAOYSA-N 1 2 387.184 2.069 20 0 GEADLO C[C@H](NS(=O)(=O)Cc1ccc(Cl)nc1)C1([NH+]2CCOCC2)CCCC1 ZINC000122448249 532070561 /nfs/dbraw/zinc/07/05/61/532070561.db2.gz DCCNDHWREIKZMW-AWEZNQCLSA-N 1 2 387.933 2.188 20 0 GEADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)NCc1ccc(Br)cc1 ZINC000174776624 532078942 /nfs/dbraw/zinc/07/89/42/532078942.db2.gz FHEXUFHIJIHLLE-UHFFFAOYSA-N 1 2 389.297 2.283 20 0 GEADLO COCCCOC1CC[NH+]([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000122740199 532081120 /nfs/dbraw/zinc/08/11/20/532081120.db2.gz DOQKIJLXFVEGGN-MRXNPFEDSA-N 1 2 385.302 2.493 20 0 GEADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000174873839 532081139 /nfs/dbraw/zinc/08/11/39/532081139.db2.gz SYZWKFYKGBQSGQ-JTQLQIEISA-N 1 2 398.179 2.054 20 0 GEADLO C[N@H+]1CCO[C@H](C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000174873839 532081146 /nfs/dbraw/zinc/08/11/46/532081146.db2.gz SYZWKFYKGBQSGQ-JTQLQIEISA-N 1 2 398.179 2.054 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000122768135 532082659 /nfs/dbraw/zinc/08/26/59/532082659.db2.gz CDDLQCQFNOPNSX-TZMCWYRMSA-N 1 2 380.432 2.171 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C[C@@H](C)O ZINC000122768135 532082665 /nfs/dbraw/zinc/08/26/65/532082665.db2.gz CDDLQCQFNOPNSX-TZMCWYRMSA-N 1 2 380.432 2.171 20 0 GEADLO CC(C)Cn1cnc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000174971334 532084178 /nfs/dbraw/zinc/08/41/78/532084178.db2.gz KMMRPCMTOLKPSE-AWEZNQCLSA-N 1 2 382.555 2.326 20 0 GEADLO CC(C)Cn1cnc(S(=O)(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000174971334 532084185 /nfs/dbraw/zinc/08/41/85/532084185.db2.gz KMMRPCMTOLKPSE-AWEZNQCLSA-N 1 2 382.555 2.326 20 0 GEADLO CC[C@](C)(O)C[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000123024179 532090414 /nfs/dbraw/zinc/09/04/14/532090414.db2.gz VFQHDIPKDHHZHK-HNNXBMFYSA-N 1 2 380.432 2.173 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 ZINC000123331788 532097546 /nfs/dbraw/zinc/09/75/46/532097546.db2.gz LRGMOSZLKXXZQR-LLVKDONJSA-N 1 2 397.324 2.079 20 0 GEADLO CC[C@@](C)(O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000123281123 532097571 /nfs/dbraw/zinc/09/75/71/532097571.db2.gz CEQWVTKSEJCBLE-OAHLLOKOSA-N 1 2 381.325 2.461 20 0 GEADLO COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](NS(C)(=O)=O)C3)cs2)c1 ZINC000123328556 532097657 /nfs/dbraw/zinc/09/76/57/532097657.db2.gz DNSFSIPREBAOIR-CQSZACIVSA-N 1 2 381.523 2.332 20 0 GEADLO COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](NS(C)(=O)=O)C3)cs2)c1 ZINC000123328556 532097662 /nfs/dbraw/zinc/09/76/62/532097662.db2.gz DNSFSIPREBAOIR-CQSZACIVSA-N 1 2 381.523 2.332 20 0 GEADLO Cc1c(Br)cccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000175301714 532098135 /nfs/dbraw/zinc/09/81/35/532098135.db2.gz LKDZNJOVCIZGBW-LBPRGKRZSA-N 1 2 391.331 2.004 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000123649810 532105401 /nfs/dbraw/zinc/10/54/01/532105401.db2.gz PUQXXOYEIOFXDO-CYBMUJFWSA-N 1 2 379.309 2.276 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000123649810 532105403 /nfs/dbraw/zinc/10/54/03/532105403.db2.gz PUQXXOYEIOFXDO-CYBMUJFWSA-N 1 2 379.309 2.276 20 0 GEADLO C[C@H]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123831313 532108418 /nfs/dbraw/zinc/10/84/18/532108418.db2.gz QKXVSLWKFSLOSH-BBRMVZONSA-N 1 2 381.885 2.420 20 0 GEADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175930697 532120136 /nfs/dbraw/zinc/12/01/36/532120136.db2.gz PGVGCHFQCCRXAM-GFCCVEGCSA-N 1 2 375.252 2.126 20 0 GEADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175930697 532120138 /nfs/dbraw/zinc/12/01/38/532120138.db2.gz PGVGCHFQCCRXAM-GFCCVEGCSA-N 1 2 375.252 2.126 20 0 GEADLO O=C([C@H]1CCC(=O)NC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000124449912 532121935 /nfs/dbraw/zinc/12/19/35/532121935.db2.gz DQOHFYDFFNBDJI-AWEZNQCLSA-N 1 2 384.307 2.206 20 0 GEADLO O=C(CCc1nnc[nH]1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000124441293 532122280 /nfs/dbraw/zinc/12/22/80/532122280.db2.gz FGBPCLDNOPCTGD-UHFFFAOYSA-N 1 2 382.295 2.431 20 0 GEADLO O=C([C@@H]1CCC(=O)NC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000124449660 532122347 /nfs/dbraw/zinc/12/23/47/532122347.db2.gz DQOHFYDFFNBDJI-CQSZACIVSA-N 1 2 384.307 2.206 20 0 GEADLO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000124553812 532124054 /nfs/dbraw/zinc/12/40/54/532124054.db2.gz XNXPQNYBBWECQA-CHWSQXEVSA-N 1 2 386.309 2.271 20 0 GEADLO COc1nc(N2CCN(c3cc[nH+]c(C(C)C)n3)CC2)ncc1Br ZINC000175779404 532114225 /nfs/dbraw/zinc/11/42/25/532114225.db2.gz KUNPWEQMDWLVCX-UHFFFAOYSA-N 1 2 393.289 2.488 20 0 GEADLO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000176451136 532138266 /nfs/dbraw/zinc/13/82/66/532138266.db2.gz BFOFWOPDFVEUTO-RVFQGNMQSA-N 1 2 383.583 2.485 20 0 GEADLO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000176451136 532138269 /nfs/dbraw/zinc/13/82/69/532138269.db2.gz BFOFWOPDFVEUTO-RVFQGNMQSA-N 1 2 383.583 2.485 20 0 GEADLO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[NH+](CCO)CC1 ZINC000124783781 532129237 /nfs/dbraw/zinc/12/92/37/532129237.db2.gz OQEBXRLKQPAQGA-NSHDSACASA-N 1 2 391.693 2.006 20 0 GEADLO CCN(C(=O)[C@@H](C)[N@@H+]1CCSC2(CCCCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000176929075 532155690 /nfs/dbraw/zinc/15/56/90/532155690.db2.gz SLRPBDGYDYMWCL-CVEARBPZSA-N 1 2 388.599 2.162 20 0 GEADLO CCN(C(=O)[C@@H](C)[N@H+]1CCSC2(CCCCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000176929075 532155694 /nfs/dbraw/zinc/15/56/94/532155694.db2.gz SLRPBDGYDYMWCL-CVEARBPZSA-N 1 2 388.599 2.162 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CSc1cc(Cl)ccc1Cl ZINC000176554063 532141163 /nfs/dbraw/zinc/14/11/63/532141163.db2.gz YEDDECSCMZGBSQ-CYBMUJFWSA-N 1 2 393.336 2.237 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000176584207 532141996 /nfs/dbraw/zinc/14/19/96/532141996.db2.gz XQJPQNLRYUUBCZ-MRXNPFEDSA-N 1 2 386.945 2.364 20 0 GEADLO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cncc(Br)c1 ZINC000126521544 532149424 /nfs/dbraw/zinc/14/94/24/532149424.db2.gz CJYADONVFCXCAJ-UHFFFAOYSA-N 1 2 392.257 2.397 20 0 GEADLO Cn1c[nH+]cc1CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000177228990 532165600 /nfs/dbraw/zinc/16/56/00/532165600.db2.gz UNYCHZJQBPCWBP-UHFFFAOYSA-N 1 2 389.308 2.233 20 0 GEADLO Cc1csc2nc(C[NH2+][C@@](C)(C(N)=O)c3cccc(Cl)c3)cc(=O)n12 ZINC000177393891 532170758 /nfs/dbraw/zinc/17/07/58/532170758.db2.gz QMVNHAZLFHIUQE-QGZVFWFLSA-N 1 2 376.869 2.208 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1)NC(=O)NCC(F)(F)F ZINC000177394087 532170785 /nfs/dbraw/zinc/17/07/85/532170785.db2.gz MJXOADGILYVZKL-SNVBAGLBSA-N 1 2 377.388 2.173 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)NC(=O)NCC(F)(F)F ZINC000177394087 532170788 /nfs/dbraw/zinc/17/07/88/532170788.db2.gz MJXOADGILYVZKL-SNVBAGLBSA-N 1 2 377.388 2.173 20 0 GEADLO CC(=O)N(c1nc(CN2CCN(C3=[NH+]C[C@H](C)S3)CC2)cs1)C1CC1 ZINC000177209959 532164573 /nfs/dbraw/zinc/16/45/73/532164573.db2.gz QLRJATYAILNCKR-LBPRGKRZSA-N 1 2 379.555 2.267 20 0 GEADLO CN1C[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC1=O ZINC000129495691 532179548 /nfs/dbraw/zinc/17/95/48/532179548.db2.gz QLKVORGBDYPQDK-WBVHZDCISA-N 1 2 394.313 2.323 20 0 GEADLO Cc1nsc(N2CC[NH+](C[C@@H](O)c3cccc(Br)c3)CC2)n1 ZINC000177836744 532183875 /nfs/dbraw/zinc/18/38/75/532183875.db2.gz FRCPHTUEKHFRGK-CQSZACIVSA-N 1 2 383.315 2.465 20 0 GEADLO CNC(=O)Cc1nc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000177548112 532175708 /nfs/dbraw/zinc/17/57/08/532175708.db2.gz YBIJRXBPEWCPEQ-UHFFFAOYSA-N 1 2 378.929 2.403 20 0 GEADLO C[C@@H](CNC(=O)Cc1cc2c(cc1Br)OCCO2)Cn1cc[nH+]c1 ZINC000131200244 532194956 /nfs/dbraw/zinc/19/49/56/532194956.db2.gz MPWXFQCBUAYMPC-LBPRGKRZSA-N 1 2 394.269 2.412 20 0 GEADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc(C(F)(F)F)ccc1Br ZINC000178726818 532210845 /nfs/dbraw/zinc/21/08/45/532210845.db2.gz LVHYWZCMBSJWQB-LLVKDONJSA-N 1 2 392.219 2.198 20 0 GEADLO O=C(C[N@@H+]1CCOC[C@@H]1C1CC1)Nc1cccc(I)c1 ZINC000132332226 532214024 /nfs/dbraw/zinc/21/40/24/532214024.db2.gz KQNIATGDSKXYCN-CQSZACIVSA-N 1 2 386.233 2.341 20 0 GEADLO O=C(C[N@H+]1CCOC[C@@H]1C1CC1)Nc1cccc(I)c1 ZINC000132332226 532214026 /nfs/dbraw/zinc/21/40/26/532214026.db2.gz KQNIATGDSKXYCN-CQSZACIVSA-N 1 2 386.233 2.341 20 0 GEADLO CCOC(=O)CCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000132328044 532214181 /nfs/dbraw/zinc/21/41/81/532214181.db2.gz LQAGSMMGQUMPIW-UHFFFAOYSA-N 1 2 388.917 2.380 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000179448211 532231510 /nfs/dbraw/zinc/23/15/10/532231510.db2.gz OBEPUVNLRAGJFR-MRXNPFEDSA-N 1 2 381.523 2.332 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000179448211 532231515 /nfs/dbraw/zinc/23/15/15/532231515.db2.gz OBEPUVNLRAGJFR-MRXNPFEDSA-N 1 2 381.523 2.332 20 0 GEADLO CCC[NH+]1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC1 ZINC000179539646 532234926 /nfs/dbraw/zinc/23/49/26/532234926.db2.gz IJSTXYPNUYVCPD-UHFFFAOYSA-N 1 2 389.315 2.020 20 0 GEADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(Br)cc1C(F)(F)F ZINC000179779821 532244409 /nfs/dbraw/zinc/24/44/09/532244409.db2.gz BDELMPSVIDWQCM-LLVKDONJSA-N 1 2 392.219 2.198 20 0 GEADLO C[C@H]1CCN(C(=O)c2cnn3cc(Br)cnc23)C[C@H]1n1cc[nH+]c1 ZINC000179806218 532244847 /nfs/dbraw/zinc/24/48/47/532244847.db2.gz AIYRSGWXCCMOKB-SMDDNHRTSA-N 1 2 389.257 2.412 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000134327998 532253973 /nfs/dbraw/zinc/25/39/73/532253973.db2.gz UNNIICKBAYCYIC-GFCCVEGCSA-N 1 2 384.889 2.292 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000134327998 532253974 /nfs/dbraw/zinc/25/39/74/532253974.db2.gz UNNIICKBAYCYIC-GFCCVEGCSA-N 1 2 384.889 2.292 20 0 GEADLO O=S(=O)(Cc1noc2ccccc12)NCC[N@@H+]1CCc2sccc2C1 ZINC000180409552 532270858 /nfs/dbraw/zinc/27/08/58/532270858.db2.gz LGAIFISYSYHQAG-UHFFFAOYSA-N 1 2 377.491 2.367 20 0 GEADLO O=S(=O)(Cc1noc2ccccc12)NCC[N@H+]1CCc2sccc2C1 ZINC000180409552 532270863 /nfs/dbraw/zinc/27/08/63/532270863.db2.gz LGAIFISYSYHQAG-UHFFFAOYSA-N 1 2 377.491 2.367 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000134344340 532255208 /nfs/dbraw/zinc/25/52/08/532255208.db2.gz QVDWRSNBVGDOGD-LBPRGKRZSA-N 1 2 379.295 2.490 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000134344340 532255211 /nfs/dbraw/zinc/25/52/11/532255211.db2.gz QVDWRSNBVGDOGD-LBPRGKRZSA-N 1 2 379.295 2.490 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCCC[C@H](SC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000134588402 532258141 /nfs/dbraw/zinc/25/81/41/532258141.db2.gz MFCDLYPJACWDJR-JYJNAYRXSA-N 1 2 376.588 2.018 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCCC[C@H](SC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000134588402 532258146 /nfs/dbraw/zinc/25/81/46/532258146.db2.gz MFCDLYPJACWDJR-JYJNAYRXSA-N 1 2 376.588 2.018 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)[C@@H]3CCO[C@H]3C)CC2)cs1 ZINC000135615769 532276545 /nfs/dbraw/zinc/27/65/45/532276545.db2.gz DFMMXNRPNBUXBE-XJKSGUPXSA-N 1 2 387.571 2.014 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nc3cc(Br)cnc3[nH]2)CC1 ZINC000135782309 532279873 /nfs/dbraw/zinc/27/98/73/532279873.db2.gz KXLUJHSYGMUFPM-JTQLQIEISA-N 1 2 398.330 2.365 20 0 GEADLO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCn2c[nH+]cc2C1 ZINC000135998371 532281523 /nfs/dbraw/zinc/28/15/23/532281523.db2.gz LOBUMNXFIMDYBL-YPMHNXCESA-N 1 2 384.263 2.308 20 0 GEADLO CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000136324869 532283547 /nfs/dbraw/zinc/28/35/47/532283547.db2.gz RVXMSYXTVTYRQN-XJKSGUPXSA-N 1 2 396.329 2.427 20 0 GEADLO CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000180960525 532286370 /nfs/dbraw/zinc/28/63/70/532286370.db2.gz FJXCOPPALKFRKE-OAHLLOKOSA-N 1 2 388.555 2.469 20 0 GEADLO NC(=O)[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1 ZINC000137202418 532289066 /nfs/dbraw/zinc/28/90/66/532289066.db2.gz VOLMKWSCKQAHMD-OAHLLOKOSA-N 1 2 380.217 2.343 20 0 GEADLO Cc1c([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)nnn1-c1cccc(Cl)c1 ZINC000180472494 532273094 /nfs/dbraw/zinc/27/30/94/532273094.db2.gz IOBGGOWHKDNVBG-GFCCVEGCSA-N 1 2 385.921 2.208 20 0 GEADLO C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000139188499 532292803 /nfs/dbraw/zinc/29/28/03/532292803.db2.gz FWIZGGLQJRMYTA-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000141046119 532294851 /nfs/dbraw/zinc/29/48/51/532294851.db2.gz XCSYNYJBGDBKMK-AAEUAGOBSA-N 1 2 376.341 2.423 20 0 GEADLO Cn1cc[nH+]c1CS(=O)(=O)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000181295078 532295185 /nfs/dbraw/zinc/29/51/85/532295185.db2.gz MAZXIZPJABTHNC-UHFFFAOYSA-N 1 2 386.264 2.423 20 0 GEADLO O=C(c1[nH]nc(C2CC2)c1Br)N1CCN(c2cccc[nH+]2)CC1 ZINC000149747784 532300442 /nfs/dbraw/zinc/30/04/42/532300442.db2.gz CBOZBCIAFLGVKN-UHFFFAOYSA-N 1 2 376.258 2.407 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000181672579 532304595 /nfs/dbraw/zinc/30/45/95/532304595.db2.gz RKGFTPKPBTWVSV-AWEZNQCLSA-N 1 2 381.325 2.212 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000181669286 532304778 /nfs/dbraw/zinc/30/47/78/532304778.db2.gz CIPVUNVTDIWSBH-CYBMUJFWSA-N 1 2 393.336 2.477 20 0 GEADLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cc(Br)ccc3F)C2)CC1 ZINC000137694836 532291052 /nfs/dbraw/zinc/29/10/52/532291052.db2.gz HAMAXBUUPVRMON-INIZCTEOSA-N 1 2 398.320 2.369 20 0 GEADLO C[C@@H](CN(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1nccs1 ZINC000182312928 532311922 /nfs/dbraw/zinc/31/19/22/532311922.db2.gz SSVSIVDABQNSLK-YOEHRIQHSA-N 1 2 384.571 2.096 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)cc1Cl ZINC000182410876 532312844 /nfs/dbraw/zinc/31/28/44/532312844.db2.gz XTGFFYQLJILLFP-UHFFFAOYSA-N 1 2 385.873 2.458 20 0 GEADLO CC[C@H]([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1nccs1 ZINC000185114651 532336869 /nfs/dbraw/zinc/33/68/69/532336869.db2.gz CMJWICNGUYKFJL-GJZGRUSLSA-N 1 2 385.555 2.142 20 0 GEADLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185639611 532338119 /nfs/dbraw/zinc/33/81/19/532338119.db2.gz SEERWGDGGOSZAA-AWEZNQCLSA-N 1 2 387.249 2.404 20 0 GEADLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185639611 532338120 /nfs/dbraw/zinc/33/81/20/532338120.db2.gz SEERWGDGGOSZAA-AWEZNQCLSA-N 1 2 387.249 2.404 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185906171 532339049 /nfs/dbraw/zinc/33/90/49/532339049.db2.gz UXOKFDOTXXMOIP-QGZVFWFLSA-N 1 2 382.302 2.137 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185906171 532339050 /nfs/dbraw/zinc/33/90/50/532339050.db2.gz UXOKFDOTXXMOIP-QGZVFWFLSA-N 1 2 382.302 2.137 20 0 GEADLO CCSc1cccc(C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 ZINC000186248891 532340250 /nfs/dbraw/zinc/34/02/50/532340250.db2.gz GMLJTRFFXNFHFZ-UHFFFAOYSA-N 1 2 381.523 2.434 20 0 GEADLO CC(C)c1nc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)cs1 ZINC000186402936 532340713 /nfs/dbraw/zinc/34/07/13/532340713.db2.gz IPXMXYGJKVFPCG-ZIAGYGMSSA-N 1 2 375.560 2.406 20 0 GEADLO COC(=O)[C@]1(C)CCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000186405994 532340772 /nfs/dbraw/zinc/34/07/72/532340772.db2.gz HURDWWDZAQTHDO-KRWDZBQOSA-N 1 2 383.286 2.435 20 0 GEADLO COC(=O)[C@]1(C)CCC[N@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000186405994 532340773 /nfs/dbraw/zinc/34/07/73/532340773.db2.gz HURDWWDZAQTHDO-KRWDZBQOSA-N 1 2 383.286 2.435 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(Cc2cccc(Br)c2OC)CC1 ZINC000186854328 532342193 /nfs/dbraw/zinc/34/21/93/532342193.db2.gz QNBMBGGIOBVLKF-UHFFFAOYSA-N 1 2 398.345 2.444 20 0 GEADLO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1CC[NH+](CCO)CC1 ZINC000186883029 532342323 /nfs/dbraw/zinc/34/23/23/532342323.db2.gz GMTRKHCNLHXSLN-UHFFFAOYSA-N 1 2 385.852 2.139 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000186901393 532342453 /nfs/dbraw/zinc/34/24/53/532342453.db2.gz ZBRKVQCUGQTXLY-UHFFFAOYSA-N 1 2 381.263 2.254 20 0 GEADLO O[C@@H](CN1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(F)c(Br)c1 ZINC000187087138 532343109 /nfs/dbraw/zinc/34/31/09/532343109.db2.gz QPYCUZIXVQWOKP-PBHICJAKSA-N 1 2 387.293 2.418 20 0 GEADLO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cc(Br)ccc2O)CC1 ZINC000184171079 532330970 /nfs/dbraw/zinc/33/09/70/532330970.db2.gz VUBYGGQJCALQNM-UHFFFAOYSA-N 1 2 384.318 2.301 20 0 GEADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)[C@H](C)C(F)(F)F)CC2)oc1C ZINC000184471687 532332887 /nfs/dbraw/zinc/33/28/87/532332887.db2.gz XXBKUZLVUSVTNM-GFCCVEGCSA-N 1 2 383.436 2.374 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184836435 532334924 /nfs/dbraw/zinc/33/49/24/532334924.db2.gz LEJGMULEQOJXKU-BXUZGUMPSA-N 1 2 380.432 2.105 20 0 GEADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)s1 ZINC000185032666 532336608 /nfs/dbraw/zinc/33/66/08/532336608.db2.gz UTYRJXWLSFBXMP-JTQLQIEISA-N 1 2 377.861 2.370 20 0 GEADLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000188149156 532346948 /nfs/dbraw/zinc/34/69/48/532346948.db2.gz KYMSQMRXFJOSOA-JTQLQIEISA-N 1 2 385.288 2.210 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@@H+]1CCO ZINC000188722705 532349344 /nfs/dbraw/zinc/34/93/44/532349344.db2.gz QTNWIAAQZKAQHY-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@H+]1CCO ZINC000188722705 532349345 /nfs/dbraw/zinc/34/93/45/532349345.db2.gz QTNWIAAQZKAQHY-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[C@@H](C)C1 ZINC000189082812 532350744 /nfs/dbraw/zinc/35/07/44/532350744.db2.gz TUEHZUAIANEKCV-WDEREUQCSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[C@@H](C)C1 ZINC000189082812 532350745 /nfs/dbraw/zinc/35/07/45/532350745.db2.gz TUEHZUAIANEKCV-WDEREUQCSA-N 1 2 398.859 2.017 20 0 GEADLO CCC[C@H]1CN(C(=O)c2ncc(Br)s2)CC[N@@H+]1CCOC ZINC000189549380 532352706 /nfs/dbraw/zinc/35/27/06/532352706.db2.gz SAIOQLWPCFNQRU-NSHDSACASA-N 1 2 376.320 2.479 20 0 GEADLO CCC[C@H]1CN(C(=O)c2ncc(Br)s2)CC[N@H+]1CCOC ZINC000189549380 532352707 /nfs/dbraw/zinc/35/27/07/532352707.db2.gz SAIOQLWPCFNQRU-NSHDSACASA-N 1 2 376.320 2.479 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000189984004 532354360 /nfs/dbraw/zinc/35/43/60/532354360.db2.gz RQRQKVMSYWJXNC-CYBMUJFWSA-N 1 2 380.432 2.038 20 0 GEADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC[N@@H+]1CCO ZINC000190052463 532354596 /nfs/dbraw/zinc/35/45/96/532354596.db2.gz WUEGNGXYPLMWSJ-SECBINFHSA-N 1 2 394.686 2.110 20 0 GEADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC[N@H+]1CCO ZINC000190052463 532354597 /nfs/dbraw/zinc/35/45/97/532354597.db2.gz WUEGNGXYPLMWSJ-SECBINFHSA-N 1 2 394.686 2.110 20 0 GEADLO Cn1cc([C@@H]2CSCC[N@@H+]2CC(=O)N2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000191200849 532359932 /nfs/dbraw/zinc/35/99/32/532359932.db2.gz YGMOMPXSLNCFLI-KBPBESRZSA-N 1 2 376.448 2.311 20 0 GEADLO Cn1cc([C@@H]2CSCC[N@H+]2CC(=O)N2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000191200849 532359933 /nfs/dbraw/zinc/35/99/33/532359933.db2.gz YGMOMPXSLNCFLI-KBPBESRZSA-N 1 2 376.448 2.311 20 0 GEADLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191319579 532360474 /nfs/dbraw/zinc/36/04/74/532360474.db2.gz BLMRQHRVRLBDLQ-MNOVXSKESA-N 1 2 379.452 2.372 20 0 GEADLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191319579 532360475 /nfs/dbraw/zinc/36/04/75/532360475.db2.gz BLMRQHRVRLBDLQ-MNOVXSKESA-N 1 2 379.452 2.372 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCN(CCO)Cc1cc(Br)ccc1F ZINC000191478237 532361149 /nfs/dbraw/zinc/36/11/49/532361149.db2.gz QZLKTHGSAGSZOQ-CYBMUJFWSA-N 1 2 375.282 2.103 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCN(CCO)Cc1cc(Br)ccc1F ZINC000191478237 532361150 /nfs/dbraw/zinc/36/11/50/532361150.db2.gz QZLKTHGSAGSZOQ-CYBMUJFWSA-N 1 2 375.282 2.103 20 0 GEADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC(O)(C(F)F)C1 ZINC000425018894 532362279 /nfs/dbraw/zinc/36/22/79/532362279.db2.gz MBOWROQOWHZDJE-ZDUSSCGKSA-N 1 2 389.240 2.424 20 0 GEADLO O=C(c1ccncn1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000557413137 532362586 /nfs/dbraw/zinc/36/25/86/532362586.db2.gz CPGHBODZAZYTAU-UHFFFAOYSA-N 1 2 376.214 2.371 20 0 GEADLO COCCN1CCC[N@H+](CC2=Cc3cc(Br)ccc3OC2)CC1=O ZINC000191706555 532363066 /nfs/dbraw/zinc/36/30/66/532363066.db2.gz NIQKOBXFTFZJOJ-UHFFFAOYSA-N 1 2 395.297 2.406 20 0 GEADLO COCCN1CCC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)CC1=O ZINC000191706555 532363072 /nfs/dbraw/zinc/36/30/72/532363072.db2.gz NIQKOBXFTFZJOJ-UHFFFAOYSA-N 1 2 395.297 2.406 20 0 GEADLO O=C(Cc1cncnc1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000557421481 532364691 /nfs/dbraw/zinc/36/46/91/532364691.db2.gz LKZZAIJERFZBDH-UHFFFAOYSA-N 1 2 390.241 2.300 20 0 GEADLO O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000515470894 532366828 /nfs/dbraw/zinc/36/68/28/532366828.db2.gz GBKRSNWPMPCQPR-PBHICJAKSA-N 1 2 384.929 2.418 20 0 GEADLO O=C(NCc1[nH+]ccn1CC(F)(F)F)C(=O)Nc1cc(F)ccc1Cl ZINC000590379923 532367709 /nfs/dbraw/zinc/36/77/09/532367709.db2.gz WTHGDHHBXVZGTK-UHFFFAOYSA-N 1 2 378.713 2.493 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C[C@H]1C ZINC000677173505 532367914 /nfs/dbraw/zinc/36/79/14/532367914.db2.gz OXIVSLQXXUUNSI-CQSZACIVSA-N 1 2 385.555 2.089 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C[C@H]1C ZINC000677173505 532367917 /nfs/dbraw/zinc/36/79/17/532367917.db2.gz OXIVSLQXXUUNSI-CQSZACIVSA-N 1 2 385.555 2.089 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000372017358 532368738 /nfs/dbraw/zinc/36/87/38/532368738.db2.gz WKNQMFUUTLVNDD-ZDUSSCGKSA-N 1 2 395.308 2.069 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1Cl ZINC000677239809 532369072 /nfs/dbraw/zinc/36/90/72/532369072.db2.gz YWWPSVMHGWXWLW-SECBINFHSA-N 1 2 393.843 2.092 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(F)c1Cl ZINC000677239809 532369075 /nfs/dbraw/zinc/36/90/75/532369075.db2.gz YWWPSVMHGWXWLW-SECBINFHSA-N 1 2 393.843 2.092 20 0 GEADLO O=S(=O)(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)c(F)cc1F ZINC000677238893 532369658 /nfs/dbraw/zinc/36/96/58/532369658.db2.gz HSMXNJDYUHFGDE-MRVPVSSYSA-N 1 2 381.242 2.242 20 0 GEADLO O=S(=O)(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Br)c(F)cc1F ZINC000677238893 532369660 /nfs/dbraw/zinc/36/96/60/532369660.db2.gz HSMXNJDYUHFGDE-MRVPVSSYSA-N 1 2 381.242 2.242 20 0 GEADLO [NH3+]C1(c2noc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)CCC1 ZINC000647140974 532370302 /nfs/dbraw/zinc/37/03/02/532370302.db2.gz RMPDBTCBNRTKCQ-UHFFFAOYSA-N 1 2 377.451 2.332 20 0 GEADLO O=S(=O)(Nc1nccs1)c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000647147995 532370405 /nfs/dbraw/zinc/37/04/05/532370405.db2.gz CVXKXSXNAMCYQV-LBPRGKRZSA-N 1 2 377.451 2.418 20 0 GEADLO Cc1nc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000278029624 532370806 /nfs/dbraw/zinc/37/08/06/532370806.db2.gz HXRIOAVVGFBAAW-NSHDSACASA-N 1 2 392.257 2.220 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)c1[nH]nc2ccc(I)cc21 ZINC000463245597 532371040 /nfs/dbraw/zinc/37/10/40/532371040.db2.gz ZVBOWSDFEFEUDG-UHFFFAOYSA-N 1 2 395.204 2.184 20 0 GEADLO COC[C@@H](OC)C(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000622886158 532380452 /nfs/dbraw/zinc/38/04/52/532380452.db2.gz HYVZKEBWPGQLEX-CQSZACIVSA-N 1 2 397.273 2.125 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)c2[nH+]ccn21 ZINC000622880118 532380682 /nfs/dbraw/zinc/38/06/82/532380682.db2.gz LYPRADCHKKRKIH-SKDRFNHKSA-N 1 2 388.229 2.057 20 0 GEADLO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000622900744 532382235 /nfs/dbraw/zinc/38/22/35/532382235.db2.gz NQNUDBONSDOHLS-LLVKDONJSA-N 1 2 378.947 2.305 20 0 GEADLO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000622900744 532382244 /nfs/dbraw/zinc/38/22/44/532382244.db2.gz NQNUDBONSDOHLS-LLVKDONJSA-N 1 2 378.947 2.305 20 0 GEADLO C[N@H+](CC(=O)NC(C)(C)C)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192060534 532382272 /nfs/dbraw/zinc/38/22/72/532382272.db2.gz QWRUHZLNDGLTDU-CQSZACIVSA-N 1 2 382.302 2.401 20 0 GEADLO C[N@@H+](CC(=O)NC(C)(C)C)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192060534 532382279 /nfs/dbraw/zinc/38/22/79/532382279.db2.gz QWRUHZLNDGLTDU-CQSZACIVSA-N 1 2 382.302 2.401 20 0 GEADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCSC2)CC1 ZINC000558076823 532383115 /nfs/dbraw/zinc/38/31/15/532383115.db2.gz IZJQTXPEKBAXGK-KGLIPLIRSA-N 1 2 381.929 2.167 20 0 GEADLO CC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000677884482 532385151 /nfs/dbraw/zinc/38/51/51/532385151.db2.gz RECHXTSABHNIPN-CYBMUJFWSA-N 1 2 384.318 2.206 20 0 GEADLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000677884482 532385160 /nfs/dbraw/zinc/38/51/60/532385160.db2.gz RECHXTSABHNIPN-CYBMUJFWSA-N 1 2 384.318 2.206 20 0 GEADLO CCC[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000463872283 532385289 /nfs/dbraw/zinc/38/52/89/532385289.db2.gz DAJZHEVGOWBXGE-KRWDZBQOSA-N 1 2 376.469 2.448 20 0 GEADLO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623309152 532385721 /nfs/dbraw/zinc/38/57/21/532385721.db2.gz RYTPUIXLZOHLCZ-LBPRGKRZSA-N 1 2 392.253 2.091 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(CN(C)Cc2[nH+]ccn2CC(F)(F)F)s1 ZINC000425401123 532385744 /nfs/dbraw/zinc/38/57/44/532385744.db2.gz ZYSNQRFAHPOWBP-UHFFFAOYSA-N 1 2 396.460 2.389 20 0 GEADLO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302784 532385828 /nfs/dbraw/zinc/38/58/28/532385828.db2.gz PBRYDMMUQPXKCD-MNOVXSKESA-N 1 2 381.263 2.439 20 0 GEADLO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000192087757 532386160 /nfs/dbraw/zinc/38/61/60/532386160.db2.gz XDLOOPMYRIADBZ-LBPRGKRZSA-N 1 2 376.258 2.485 20 0 GEADLO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000192087757 532386167 /nfs/dbraw/zinc/38/61/67/532386167.db2.gz XDLOOPMYRIADBZ-LBPRGKRZSA-N 1 2 376.258 2.485 20 0 GEADLO COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000278896221 532387624 /nfs/dbraw/zinc/38/76/24/532387624.db2.gz OSXLGNGSEDBBJT-HNNXBMFYSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000278896221 532387625 /nfs/dbraw/zinc/38/76/25/532387625.db2.gz OSXLGNGSEDBBJT-HNNXBMFYSA-N 1 2 386.901 2.127 20 0 GEADLO O=C1CCCN1CC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000516616958 532387762 /nfs/dbraw/zinc/38/77/62/532387762.db2.gz NZEQOJPPRGCNPB-UHFFFAOYSA-N 1 2 376.810 2.498 20 0 GEADLO C[C@@H](CNC(=O)c1cccnc1-n1cc(Br)cn1)Cn1cc[nH+]c1 ZINC000294891243 532388681 /nfs/dbraw/zinc/38/86/81/532388681.db2.gz IPUWVYOTPQOTJW-LBPRGKRZSA-N 1 2 389.257 2.292 20 0 GEADLO CSc1ccc([C@@H](CNC(=O)C[C@H]2CCCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC000294891989 532389584 /nfs/dbraw/zinc/38/95/84/532389584.db2.gz PKMZMHQZGJAPGZ-RHSMWYFYSA-N 1 2 384.567 2.342 20 0 GEADLO CSc1ccc([C@H](CNC(=O)C[C@H]2CCCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC000294891985 532389801 /nfs/dbraw/zinc/38/98/01/532389801.db2.gz PKMZMHQZGJAPGZ-PBHICJAKSA-N 1 2 384.567 2.342 20 0 GEADLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nc(C)cs2)c1 ZINC000623912712 532390812 /nfs/dbraw/zinc/39/08/12/532390812.db2.gz RGXXQVXRLOHHCD-NEPJUHHUSA-N 1 2 382.511 2.037 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000623932022 532391766 /nfs/dbraw/zinc/39/17/66/532391766.db2.gz VMCYXUYHHLJUKQ-ZIAGYGMSSA-N 1 2 387.311 2.202 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000623932022 532391774 /nfs/dbraw/zinc/39/17/74/532391774.db2.gz VMCYXUYHHLJUKQ-ZIAGYGMSSA-N 1 2 387.311 2.202 20 0 GEADLO O=S(=O)(NCCC[NH+]1CCOCC1)c1ccc(Cl)c(Br)c1 ZINC000192184434 532392560 /nfs/dbraw/zinc/39/25/60/532392560.db2.gz PWDPLVQBKMMTMJ-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO CCn1nc2c(cc1=O)C[N@@H+](Cc1nc3cc(Br)ccc3[nH]1)CC2 ZINC000372483662 532393775 /nfs/dbraw/zinc/39/37/75/532393775.db2.gz VZKGSAPLUKHAQG-UHFFFAOYSA-N 1 2 388.269 2.460 20 0 GEADLO CCn1nc2c(cc1=O)C[N@H+](Cc1nc3cc(Br)ccc3[nH]1)CC2 ZINC000372483662 532393783 /nfs/dbraw/zinc/39/37/83/532393783.db2.gz VZKGSAPLUKHAQG-UHFFFAOYSA-N 1 2 388.269 2.460 20 0 GEADLO CCn1nc2c(cc1=O)C[N@@H+](Cc1nc3ccc(Br)cc3[nH]1)CC2 ZINC000372483662 532393786 /nfs/dbraw/zinc/39/37/86/532393786.db2.gz VZKGSAPLUKHAQG-UHFFFAOYSA-N 1 2 388.269 2.460 20 0 GEADLO CCn1nc2c(cc1=O)C[N@H+](Cc1nc3ccc(Br)cc3[nH]1)CC2 ZINC000372483662 532393797 /nfs/dbraw/zinc/39/37/97/532393797.db2.gz VZKGSAPLUKHAQG-UHFFFAOYSA-N 1 2 388.269 2.460 20 0 GEADLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)c2cnc(Cl)c(F)c2)C[C@@H](C)O1 ZINC000279272096 532394238 /nfs/dbraw/zinc/39/42/38/532394238.db2.gz NMBDQUVYHHHIEQ-JHJVBQTASA-N 1 2 391.896 2.136 20 0 GEADLO O=S(=O)(c1cccc(Br)c1Cl)N1CC[NH2+]C[C@@H]1C(F)F ZINC000516927038 532397782 /nfs/dbraw/zinc/39/77/82/532397782.db2.gz UDAJNTLPLFQKLQ-MRVPVSSYSA-N 1 2 389.649 2.330 20 0 GEADLO CC(C)CCN(CCC(C)C)S(=O)(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000591085559 532398158 /nfs/dbraw/zinc/39/81/58/532398158.db2.gz KWYKUBDAAOQJJD-UHFFFAOYSA-N 1 2 377.595 2.326 20 0 GEADLO CC(C)CCN(CCC(C)C)S(=O)(=O)NCC[N@H+]1CCOCC1(C)C ZINC000591085559 532398165 /nfs/dbraw/zinc/39/81/65/532398165.db2.gz KWYKUBDAAOQJJD-UHFFFAOYSA-N 1 2 377.595 2.326 20 0 GEADLO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1nc(C)c(Br)s1 ZINC000678487624 532396313 /nfs/dbraw/zinc/39/63/13/532396313.db2.gz HSUNLCNOXDSOGC-JTQLQIEISA-N 1 2 382.349 2.367 20 0 GEADLO O[C@H](CN1CCc2c(Br)ccc(Cl)c2C1)C[NH+]1CCOCC1 ZINC000464587593 532400495 /nfs/dbraw/zinc/40/04/95/532400495.db2.gz UEHRYGAQOYJGQB-LBPRGKRZSA-N 1 2 389.721 2.154 20 0 GEADLO O[C@@H](CN1CCOCC1)C[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464587593 532400496 /nfs/dbraw/zinc/40/04/96/532400496.db2.gz UEHRYGAQOYJGQB-LBPRGKRZSA-N 1 2 389.721 2.154 20 0 GEADLO O[C@@H](CN1CCOCC1)C[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464587593 532400497 /nfs/dbraw/zinc/40/04/97/532400497.db2.gz UEHRYGAQOYJGQB-LBPRGKRZSA-N 1 2 389.721 2.154 20 0 GEADLO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464596402 532400804 /nfs/dbraw/zinc/40/08/04/532400804.db2.gz YBMIRYCSVJCMFK-NSHDSACASA-N 1 2 387.705 2.444 20 0 GEADLO O=C1CCCN1C[C@@H](O)C[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464596402 532400809 /nfs/dbraw/zinc/40/08/09/532400809.db2.gz YBMIRYCSVJCMFK-NSHDSACASA-N 1 2 387.705 2.444 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCSC(CC)(CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000464573257 532399370 /nfs/dbraw/zinc/39/93/70/532399370.db2.gz UNVKERGTYPUBMS-HOTGVXAUSA-N 1 2 390.615 2.408 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCSC(CC)(CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000464573257 532399374 /nfs/dbraw/zinc/39/93/74/532399374.db2.gz UNVKERGTYPUBMS-HOTGVXAUSA-N 1 2 390.615 2.408 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNc1ccc(OC)c[nH+]1 ZINC000648481840 532399372 /nfs/dbraw/zinc/39/93/72/532399372.db2.gz NQCSURDYVPWRDB-LLVKDONJSA-N 1 2 394.269 2.978 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279916608 532402683 /nfs/dbraw/zinc/40/26/83/532402683.db2.gz WAQWBYYCFDNHEG-GFCCVEGCSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279916608 532402688 /nfs/dbraw/zinc/40/26/88/532402688.db2.gz WAQWBYYCFDNHEG-GFCCVEGCSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279916615 532403127 /nfs/dbraw/zinc/40/31/27/532403127.db2.gz WAQWBYYCFDNHEG-LBPRGKRZSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279916615 532403132 /nfs/dbraw/zinc/40/31/32/532403132.db2.gz WAQWBYYCFDNHEG-LBPRGKRZSA-N 1 2 375.252 2.421 20 0 GEADLO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000464767659 532405215 /nfs/dbraw/zinc/40/52/15/532405215.db2.gz AAAXBNRRJNNJRB-HZPDHXFCSA-N 1 2 384.567 2.312 20 0 GEADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000464767659 532405220 /nfs/dbraw/zinc/40/52/20/532405220.db2.gz AAAXBNRRJNNJRB-HZPDHXFCSA-N 1 2 384.567 2.312 20 0 GEADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591324554 532407420 /nfs/dbraw/zinc/40/74/20/532407420.db2.gz CKXBOEOARDFCHX-GFCCVEGCSA-N 1 2 383.857 2.349 20 0 GEADLO O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000280062446 532407521 /nfs/dbraw/zinc/40/75/21/532407521.db2.gz PRTADKJRPNSCJG-AWEZNQCLSA-N 1 2 385.917 2.314 20 0 GEADLO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000280062446 532407529 /nfs/dbraw/zinc/40/75/29/532407529.db2.gz PRTADKJRPNSCJG-AWEZNQCLSA-N 1 2 385.917 2.314 20 0 GEADLO CC(C)c1csc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)n1 ZINC000192746225 532409480 /nfs/dbraw/zinc/40/94/80/532409480.db2.gz HUZAOYIVWNFUQP-UHFFFAOYSA-N 1 2 378.523 2.441 20 0 GEADLO CC(C)c1csc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)n1 ZINC000192746225 532409485 /nfs/dbraw/zinc/40/94/85/532409485.db2.gz HUZAOYIVWNFUQP-UHFFFAOYSA-N 1 2 378.523 2.441 20 0 GEADLO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427040680 532410006 /nfs/dbraw/zinc/41/00/06/532410006.db2.gz KTLCFGYHJNQGPY-SNVBAGLBSA-N 1 2 397.660 2.369 20 0 GEADLO O=S(=O)(CCc1c(F)cccc1F)NCc1[nH+]ccn1CC(F)(F)F ZINC000625109138 532408766 /nfs/dbraw/zinc/40/87/66/532408766.db2.gz STDRACXNNWCVMU-UHFFFAOYSA-N 1 2 383.342 2.386 20 0 GEADLO CC(C)Oc1cncc(S(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000625109254 532409066 /nfs/dbraw/zinc/40/90/66/532409066.db2.gz WPWLTFUVTRHYKE-UHFFFAOYSA-N 1 2 378.376 2.106 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)o1 ZINC000295156039 532411633 /nfs/dbraw/zinc/41/16/33/532411633.db2.gz GQNXDRYELNUGTK-ZYHUDNBSSA-N 1 2 388.251 2.289 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)o1 ZINC000295156039 532411642 /nfs/dbraw/zinc/41/16/42/532411642.db2.gz GQNXDRYELNUGTK-ZYHUDNBSSA-N 1 2 388.251 2.289 20 0 GEADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000372849233 532412271 /nfs/dbraw/zinc/41/22/71/532412271.db2.gz LCYGTMFVXLTMQR-ZDUSSCGKSA-N 1 2 398.282 2.071 20 0 GEADLO O=C(CSc1nnnn1C1CC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000192986279 532416162 /nfs/dbraw/zinc/41/61/62/532416162.db2.gz QGMXSRSZUKVLPK-UHFFFAOYSA-N 1 2 379.515 2.181 20 0 GEADLO CC(C)(CNC(=O)C1(c2cncc(Br)c2)CC1)[NH+]1CCOCC1 ZINC000280925305 532416661 /nfs/dbraw/zinc/41/66/61/532416661.db2.gz FLJFGBGNPNIZTJ-UHFFFAOYSA-N 1 2 382.302 2.103 20 0 GEADLO CC(=O)N[C@@H](CC(=O)NCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000193045897 532418687 /nfs/dbraw/zinc/41/86/87/532418687.db2.gz GGELEQSKHOYJMX-HNNXBMFYSA-N 1 2 379.258 2.029 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000280945335 532417508 /nfs/dbraw/zinc/41/75/08/532417508.db2.gz SVOMMQRHVPRHCQ-WFASDCNBSA-N 1 2 382.302 2.179 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000280945335 532417518 /nfs/dbraw/zinc/41/75/18/532417518.db2.gz SVOMMQRHVPRHCQ-WFASDCNBSA-N 1 2 382.302 2.179 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)nc12 ZINC000649216022 532417931 /nfs/dbraw/zinc/41/79/31/532417931.db2.gz AVEQPOCSVVURJC-GFCCVEGCSA-N 1 2 388.269 2.481 20 0 GEADLO CC1(C)C[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)CCN1CCO ZINC000625357905 532420773 /nfs/dbraw/zinc/42/07/73/532420773.db2.gz HWDWZUFETDBPQX-INIZCTEOSA-N 1 2 396.329 2.091 20 0 GEADLO CC1(C)C[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)CCN1CCO ZINC000625357905 532420778 /nfs/dbraw/zinc/42/07/78/532420778.db2.gz HWDWZUFETDBPQX-INIZCTEOSA-N 1 2 396.329 2.091 20 0 GEADLO C[C@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)c1ncc(Br)cn1 ZINC000517482705 532418960 /nfs/dbraw/zinc/41/89/60/532418960.db2.gz KQUSXVXCTHKXET-GMXVVIOVSA-N 1 2 398.305 2.294 20 0 GEADLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000295214527 532419394 /nfs/dbraw/zinc/41/93/94/532419394.db2.gz PVXDHNGJSXDECZ-UHFFFAOYSA-N 1 2 391.266 2.147 20 0 GEADLO CN(C)C(=O)c1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000591688792 532419972 /nfs/dbraw/zinc/41/99/72/532419972.db2.gz RFLDKKVLZJYABD-MRXNPFEDSA-N 1 2 390.281 2.467 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)c(F)cc1O ZINC000295207543 532420102 /nfs/dbraw/zinc/42/01/02/532420102.db2.gz GEBFOBXVLCXVSI-QWRGUYRKSA-N 1 2 387.249 2.229 20 0 GEADLO Cc1cc(NC(=O)C[N@H+](C)C[C@H](O)c2ccccc2Br)n(C)n1 ZINC000295231326 532422701 /nfs/dbraw/zinc/42/27/01/532422701.db2.gz COEVWHJGFDKUBJ-AWEZNQCLSA-N 1 2 381.274 2.095 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+](C)C[C@H](O)c2ccccc2Br)n(C)n1 ZINC000295231326 532422706 /nfs/dbraw/zinc/42/27/06/532422706.db2.gz COEVWHJGFDKUBJ-AWEZNQCLSA-N 1 2 381.274 2.095 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000465892617 532421352 /nfs/dbraw/zinc/42/13/52/532421352.db2.gz QFBXXKIFBRRGSX-NSHDSACASA-N 1 2 377.819 2.461 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000465892617 532421359 /nfs/dbraw/zinc/42/13/59/532421359.db2.gz QFBXXKIFBRRGSX-NSHDSACASA-N 1 2 377.819 2.461 20 0 GEADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000591724365 532421675 /nfs/dbraw/zinc/42/16/75/532421675.db2.gz LMFXYNUVUBRMKE-AWEZNQCLSA-N 1 2 382.511 2.076 20 0 GEADLO Cn1c(=O)cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)c(F)c2)n(C)c1=O ZINC000281234281 532422097 /nfs/dbraw/zinc/42/20/97/532422097.db2.gz UGIXMQSNDPAFDE-HNNXBMFYSA-N 1 2 396.260 2.323 20 0 GEADLO Cn1c(=O)cc(C[N@H+]2CCC[C@H]2c2ccc(Br)c(F)c2)n(C)c1=O ZINC000281234281 532422104 /nfs/dbraw/zinc/42/21/04/532422104.db2.gz UGIXMQSNDPAFDE-HNNXBMFYSA-N 1 2 396.260 2.323 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2ccncc2Br)C1)C1CC1 ZINC000625429110 532428177 /nfs/dbraw/zinc/42/81/77/532428177.db2.gz ARULGXLJQOQNED-GFCCVEGCSA-N 1 2 388.331 2.138 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ccncc2Br)C1)C1CC1 ZINC000625429110 532428182 /nfs/dbraw/zinc/42/81/82/532428182.db2.gz ARULGXLJQOQNED-GFCCVEGCSA-N 1 2 388.331 2.138 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)C[C@@H](O)CC2(O)CCC2)c1 ZINC000625456981 532429701 /nfs/dbraw/zinc/42/97/01/532429701.db2.gz HOLIMOVRFHWTAE-BLLLJJGKSA-N 1 2 388.302 2.089 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)C[C@@H](O)CC2(O)CCC2)c1 ZINC000625456981 532429709 /nfs/dbraw/zinc/42/97/09/532429709.db2.gz HOLIMOVRFHWTAE-BLLLJJGKSA-N 1 2 388.302 2.089 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@@H](O)CC2(O)CCC2)c1 ZINC000625456984 532429755 /nfs/dbraw/zinc/42/97/55/532429755.db2.gz HOLIMOVRFHWTAE-LRDDRELGSA-N 1 2 388.302 2.089 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@@H](O)CC2(O)CCC2)c1 ZINC000625456984 532429764 /nfs/dbraw/zinc/42/97/64/532429764.db2.gz HOLIMOVRFHWTAE-LRDDRELGSA-N 1 2 388.302 2.089 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CCO1 ZINC000281648683 532429917 /nfs/dbraw/zinc/42/99/17/532429917.db2.gz IGVSQCIXAJQPAW-UHFFFAOYSA-N 1 2 392.258 2.298 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CCO1 ZINC000281648683 532429920 /nfs/dbraw/zinc/42/99/20/532429920.db2.gz IGVSQCIXAJQPAW-UHFFFAOYSA-N 1 2 392.258 2.298 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000649928097 532431615 /nfs/dbraw/zinc/43/16/15/532431615.db2.gz QAILWPWVWJCLFQ-UHFFFAOYSA-N 1 2 386.290 2.262 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000295312296 532431750 /nfs/dbraw/zinc/43/17/50/532431750.db2.gz LHAIUUYEPJIFAM-UHFFFAOYSA-N 1 2 375.479 2.405 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000626167214 532435686 /nfs/dbraw/zinc/43/56/86/532435686.db2.gz QIRCIDUCDYHTOP-SNVBAGLBSA-N 1 2 397.285 2.489 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000626167214 532435690 /nfs/dbraw/zinc/43/56/90/532435690.db2.gz QIRCIDUCDYHTOP-SNVBAGLBSA-N 1 2 397.285 2.489 20 0 GEADLO CCn1ccc(CC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)n1 ZINC000650084353 532435129 /nfs/dbraw/zinc/43/51/29/532435129.db2.gz ZYQIOHUSLXVIFS-UHFFFAOYSA-N 1 2 394.273 2.078 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(I)c(F)c1 ZINC000427999557 532438719 /nfs/dbraw/zinc/43/87/19/532438719.db2.gz ZWEKQRCBUVMSJK-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO CN(C[C@@H]1CCC[N@H+](Cc2cnc(Br)s2)C1)S(C)(=O)=O ZINC000295360926 532439476 /nfs/dbraw/zinc/43/94/76/532439476.db2.gz RMVFJYHACZCYEU-JTQLQIEISA-N 1 2 382.349 2.009 20 0 GEADLO CN(C[C@@H]1CCC[N@@H+](Cc2cnc(Br)s2)C1)S(C)(=O)=O ZINC000295360926 532439483 /nfs/dbraw/zinc/43/94/83/532439483.db2.gz RMVFJYHACZCYEU-JTQLQIEISA-N 1 2 382.349 2.009 20 0 GEADLO NS(=O)(=O)c1cc(F)c(NCCNc2cccc[nH+]2)c(Br)c1 ZINC000428121168 532444073 /nfs/dbraw/zinc/44/40/73/532444073.db2.gz MPWYYJZZOQEPGT-UHFFFAOYSA-N 1 2 389.250 2.155 20 0 GEADLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)N(C)Cc1ccccc1Br)CCO2 ZINC000373407139 532447319 /nfs/dbraw/zinc/44/73/19/532447319.db2.gz YFAJKWJTPIFPMK-RDTXWAMCSA-N 1 2 397.313 2.287 20 0 GEADLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)N(C)Cc1ccccc1Br)CCO2 ZINC000373407139 532447322 /nfs/dbraw/zinc/44/73/22/532447322.db2.gz YFAJKWJTPIFPMK-RDTXWAMCSA-N 1 2 397.313 2.287 20 0 GEADLO CNc1[nH+]cnc2c1cnn2CC(=O)N(C)Cc1ccccc1Br ZINC000194417993 532448887 /nfs/dbraw/zinc/44/88/87/532448887.db2.gz MOXZAKLVWIRGFX-UHFFFAOYSA-N 1 2 389.257 2.289 20 0 GEADLO Cc1oc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)cc1S(C)(=O)=O ZINC000626933245 532445929 /nfs/dbraw/zinc/44/59/29/532445929.db2.gz RRHRKZDBUQFFEY-CQSZACIVSA-N 1 2 382.869 2.432 20 0 GEADLO Cc1nn(C)c(C[NH2+]Cc2ccc(C)c(S(C)(=O)=O)c2)c1Br ZINC000518897489 532449591 /nfs/dbraw/zinc/44/95/91/532449591.db2.gz QMEDNRYOTOLDIX-UHFFFAOYSA-N 1 2 386.315 2.493 20 0 GEADLO CC[C@](C)([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C(=O)OC ZINC000428305222 532449801 /nfs/dbraw/zinc/44/98/01/532449801.db2.gz ZTFDVBXMCXTKJA-DOMZBBRYSA-N 1 2 378.238 2.259 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)CCCO1 ZINC000282270752 532452601 /nfs/dbraw/zinc/45/26/01/532452601.db2.gz HZJRLKJOPXMCSZ-SNVBAGLBSA-N 1 2 384.395 2.022 20 0 GEADLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000592362627 532451440 /nfs/dbraw/zinc/45/14/40/532451440.db2.gz NFAUKJBLLRUAEZ-OAHLLOKOSA-N 1 2 381.567 2.340 20 0 GEADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)CCCO1 ZINC000282270752 532452596 /nfs/dbraw/zinc/45/25/96/532452596.db2.gz HZJRLKJOPXMCSZ-SNVBAGLBSA-N 1 2 384.395 2.022 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000428666612 532457920 /nfs/dbraw/zinc/45/79/20/532457920.db2.gz IKVTYLDBWQGTGO-OAHLLOKOSA-N 1 2 395.301 2.186 20 0 GEADLO O=C(COc1ccc(O)cc1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000467981018 532458902 /nfs/dbraw/zinc/45/89/02/532458902.db2.gz PKLCGWVKWSTYRI-UHFFFAOYSA-N 1 2 376.210 2.498 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCOc1cccc(Cl)c1Cl ZINC000519178062 532459279 /nfs/dbraw/zinc/45/92/79/532459279.db2.gz YSGDQDCMNZLNOP-GFCCVEGCSA-N 1 2 376.284 2.392 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCOc1cccc(Cl)c1Cl ZINC000519178062 532459283 /nfs/dbraw/zinc/45/92/83/532459283.db2.gz YSGDQDCMNZLNOP-GFCCVEGCSA-N 1 2 376.284 2.392 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000295585089 532460187 /nfs/dbraw/zinc/46/01/87/532460187.db2.gz BQVUQYNYEIWKLO-UHFFFAOYSA-N 1 2 379.295 2.349 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cccc(Br)c2F)CC1 ZINC000295605207 532461788 /nfs/dbraw/zinc/46/17/88/532461788.db2.gz DFWOYMYRHWKTGQ-UHFFFAOYSA-N 1 2 379.295 2.492 20 0 GEADLO COC(=O)[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)[C@@H]1C ZINC000468528361 532467206 /nfs/dbraw/zinc/46/72/06/532467206.db2.gz MLYINUVVSBASTO-ZWNOBZJWSA-N 1 2 395.257 2.190 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)c1 ZINC000295655085 532466107 /nfs/dbraw/zinc/46/61/07/532466107.db2.gz FUVWEFAWGOHIQG-AWEZNQCLSA-N 1 2 387.889 2.120 20 0 GEADLO [NH3+][C@@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)c1cscn1 ZINC000519407287 532462973 /nfs/dbraw/zinc/46/29/73/532462973.db2.gz DHGLJRAVWHMOKI-OAHLLOKOSA-N 1 2 395.326 2.250 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000562491505 532468405 /nfs/dbraw/zinc/46/84/05/532468405.db2.gz GHFPZAGPFKXEKY-CYBMUJFWSA-N 1 2 389.253 2.498 20 0 GEADLO C[C@H](CCNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[S@](C)=O ZINC000429047243 532470371 /nfs/dbraw/zinc/47/03/71/532470371.db2.gz YLCIVHMHPDKRGY-HMFAJSFMSA-N 1 2 383.583 2.060 20 0 GEADLO C[C@H](CCNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[S@](C)=O ZINC000429047243 532470375 /nfs/dbraw/zinc/47/03/75/532470375.db2.gz YLCIVHMHPDKRGY-HMFAJSFMSA-N 1 2 383.583 2.060 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)Oc1ccc(I)cc1 ZINC000282599515 532479982 /nfs/dbraw/zinc/47/99/82/532479982.db2.gz DGLUECZYAAAGKU-JTQLQIEISA-N 1 2 385.205 2.406 20 0 GEADLO Cn1ccc(C[N@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)cc1=O ZINC000684628722 532480729 /nfs/dbraw/zinc/48/07/29/532480729.db2.gz QWZYGJKZAFGTIH-UHFFFAOYSA-N 1 2 388.269 2.361 20 0 GEADLO Cn1ccc(C[N@@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)cc1=O ZINC000684628722 532480740 /nfs/dbraw/zinc/48/07/40/532480740.db2.gz QWZYGJKZAFGTIH-UHFFFAOYSA-N 1 2 388.269 2.361 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)Nc1ncnc2cc(I)sc21 ZINC000593454780 532482929 /nfs/dbraw/zinc/48/29/29/532482929.db2.gz KRKUZFRVWXOTHX-MRVPVSSYSA-N 1 2 385.234 2.993 20 0 GEADLO O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)[C@H]1COCC[NH2+]1 ZINC000429920361 532484096 /nfs/dbraw/zinc/48/40/96/532484096.db2.gz GLPJTIUWCIXONT-OAHLLOKOSA-N 1 2 382.247 2.130 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000468988507 532485346 /nfs/dbraw/zinc/48/53/46/532485346.db2.gz PXHSCJVIAHIVRX-KGLIPLIRSA-N 1 2 385.302 2.396 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000468988396 532485777 /nfs/dbraw/zinc/48/57/77/532485777.db2.gz PXHSCJVIAHIVRX-KBPBESRZSA-N 1 2 385.302 2.396 20 0 GEADLO CCC[NH2+]CCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000236772282 532497015 /nfs/dbraw/zinc/49/70/15/532497015.db2.gz JCZVXTDZRWVDOM-UHFFFAOYSA-N 1 2 381.523 2.207 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000430130571 532491306 /nfs/dbraw/zinc/49/13/06/532491306.db2.gz WQEOIWPXPYHTIP-HUUCEWRRSA-N 1 2 392.297 2.175 20 0 GEADLO CCCCNC(=O)C[NH+]1CCN(Cc2ccc(OC)cc2Br)CC1 ZINC000685408332 532493770 /nfs/dbraw/zinc/49/37/70/532493770.db2.gz OBSCTWMOZJIPOI-UHFFFAOYSA-N 1 2 398.345 2.492 20 0 GEADLO Cc1ccn2cc(CNC(=O)c3cc(Br)c(C)n(C)c3=O)[nH+]c2c1 ZINC000469212257 532495544 /nfs/dbraw/zinc/49/55/44/532495544.db2.gz XKBQNTXVNJQGNG-UHFFFAOYSA-N 1 2 389.253 2.342 20 0 GEADLO CC[C@@]1(O)CCN(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000430309471 532495753 /nfs/dbraw/zinc/49/57/53/532495753.db2.gz XBZWIBOZXOYRNE-MRXNPFEDSA-N 1 2 381.274 2.462 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cc(Cl)ccc1F)C(C)(C)CO ZINC000295764665 532473872 /nfs/dbraw/zinc/47/38/72/532473872.db2.gz PHTNIRAOTGCSBH-ZDUSSCGKSA-N 1 2 375.853 2.251 20 0 GEADLO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2sc(Br)cc2C)C1 ZINC000651551766 532475555 /nfs/dbraw/zinc/47/55/55/532475555.db2.gz NEHGORFDCKAABI-LLVKDONJSA-N 1 2 397.360 2.208 20 0 GEADLO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2sc(Br)cc2C)C1 ZINC000651551766 532475561 /nfs/dbraw/zinc/47/55/61/532475561.db2.gz NEHGORFDCKAABI-LLVKDONJSA-N 1 2 397.360 2.208 20 0 GEADLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cnn3cc(Br)cnc23)CC1(C)C ZINC000295791457 532475525 /nfs/dbraw/zinc/47/55/25/532475525.db2.gz FHPFOYWDYRHLMH-GFCCVEGCSA-N 1 2 389.257 2.449 20 0 GEADLO C[C@@H](C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)[NH+]1CCSCC1 ZINC000628906686 532476547 /nfs/dbraw/zinc/47/65/47/532476547.db2.gz KNLYBHOQGKUEOG-FZMZJTMJSA-N 1 2 385.892 2.138 20 0 GEADLO CC(C)(C)n1nnc(C[S@@](=O)Cc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000593935595 532502525 /nfs/dbraw/zinc/50/25/25/532502525.db2.gz DTLRWPAKOLCGEY-QHCPKHFHSA-N 1 2 397.302 2.287 20 0 GEADLO C[NH2+][C@@H](C)Cc1noc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 ZINC000521042721 532502967 /nfs/dbraw/zinc/50/29/67/532502967.db2.gz NWSZKJPTKOMHJG-JTQLQIEISA-N 1 2 379.467 2.144 20 0 GEADLO Nc1ncc(Cl)cc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000431093460 532505028 /nfs/dbraw/zinc/50/50/28/532505028.db2.gz KUXCWGGNSXYBFO-CYBMUJFWSA-N 1 2 384.889 2.416 20 0 GEADLO COc1cc(Cl)c(Br)cc1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000469598525 532506414 /nfs/dbraw/zinc/50/64/14/532506414.db2.gz IUDADZMHEZZWIX-JSGCOSHPSA-N 1 2 389.677 2.266 20 0 GEADLO COc1cc(Cl)c(Br)cc1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000469598525 532506417 /nfs/dbraw/zinc/50/64/17/532506417.db2.gz IUDADZMHEZZWIX-JSGCOSHPSA-N 1 2 389.677 2.266 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000374526371 532507840 /nfs/dbraw/zinc/50/78/40/532507840.db2.gz HLFDVOPTEKMFRA-UHFFFAOYSA-N 1 2 379.873 2.261 20 0 GEADLO Cn1cnc(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000521171611 532508117 /nfs/dbraw/zinc/50/81/17/532508117.db2.gz TZAALJPGBFQYDQ-AWEZNQCLSA-N 1 2 386.880 2.156 20 0 GEADLO Cn1cnc(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000521171611 532508125 /nfs/dbraw/zinc/50/81/25/532508125.db2.gz TZAALJPGBFQYDQ-AWEZNQCLSA-N 1 2 386.880 2.156 20 0 GEADLO O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CC[NH+](CCO)CC1 ZINC000283014385 532513253 /nfs/dbraw/zinc/51/32/53/532513253.db2.gz YHTYCJKTJRBCKM-UHFFFAOYSA-N 1 2 397.191 2.098 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000521504890 532514142 /nfs/dbraw/zinc/51/41/42/532514142.db2.gz VPQDQPOEGYACCN-IPQOISQHSA-N 1 2 399.365 2.115 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000521504890 532514145 /nfs/dbraw/zinc/51/41/45/532514145.db2.gz VPQDQPOEGYACCN-IPQOISQHSA-N 1 2 399.365 2.115 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)ccc1Br ZINC000469843897 532514324 /nfs/dbraw/zinc/51/43/24/532514324.db2.gz NXJISTBJFKDQMV-DETPVDSQSA-N 1 2 380.286 2.282 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)ccc1Br ZINC000469843897 532514329 /nfs/dbraw/zinc/51/43/29/532514329.db2.gz NXJISTBJFKDQMV-DETPVDSQSA-N 1 2 380.286 2.282 20 0 GEADLO Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000521861055 532518280 /nfs/dbraw/zinc/51/82/80/532518280.db2.gz XVJSQMHSCSJAHJ-HNNXBMFYSA-N 1 2 382.511 2.119 20 0 GEADLO O=C(COc1ccc(Br)cc1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374376377 532498651 /nfs/dbraw/zinc/49/86/51/532498651.db2.gz WIDMOOPWYHQKGM-INIZCTEOSA-N 1 2 376.254 2.396 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000469319444 532500783 /nfs/dbraw/zinc/50/07/83/532500783.db2.gz ZAQUDBFQHRPACQ-CHWSQXEVSA-N 1 2 376.906 2.078 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000469319444 532500786 /nfs/dbraw/zinc/50/07/86/532500786.db2.gz ZAQUDBFQHRPACQ-CHWSQXEVSA-N 1 2 376.906 2.078 20 0 GEADLO C[C@@H](C(=O)N1CCO[C@H](c2cccc(Br)c2)C1)[NH+]1CCOCC1 ZINC000563378835 532501597 /nfs/dbraw/zinc/50/15/97/532501597.db2.gz WDVAZBXKRAWOPR-BBRMVZONSA-N 1 2 383.286 2.070 20 0 GEADLO COc1cc([C@H](C)[NH2+]Cc2nn(C)cc2Br)ccc1OCCO ZINC000432782318 532545375 /nfs/dbraw/zinc/54/53/75/532545375.db2.gz WMEXDFWKOSFFNY-NSHDSACASA-N 1 2 384.274 2.413 20 0 GEADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCc1ccc(S(C)(=O)=O)s1)CCC2 ZINC000526046925 532537348 /nfs/dbraw/zinc/53/73/48/532537348.db2.gz KLWSCYJTAHOTQM-LBPRGKRZSA-N 1 2 382.511 2.033 20 0 GEADLO CC(C)OCC[NH+]1CCN(c2ncccc2I)CC1 ZINC000470865909 532538058 /nfs/dbraw/zinc/53/80/58/532538058.db2.gz JHBRFBYXWWXKAE-UHFFFAOYSA-N 1 2 375.254 2.233 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1c[nH]nc1[C@@H]1CCOC1 ZINC000432401694 532538517 /nfs/dbraw/zinc/53/85/17/532538517.db2.gz OPSICPCKOFQURW-SNVBAGLBSA-N 1 2 390.241 2.254 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)n1 ZINC000470939267 532539217 /nfs/dbraw/zinc/53/92/17/532539217.db2.gz DESCHSXWTDXWKN-ONGXEEELSA-N 1 2 379.404 2.460 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)n1 ZINC000470939267 532539220 /nfs/dbraw/zinc/53/92/20/532539220.db2.gz DESCHSXWTDXWKN-ONGXEEELSA-N 1 2 379.404 2.460 20 0 GEADLO Cc1nccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1Br ZINC000526100469 532540241 /nfs/dbraw/zinc/54/02/41/532540241.db2.gz AIXVDTWYLVKINI-INIZCTEOSA-N 1 2 390.281 2.414 20 0 GEADLO Cc1nccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Br ZINC000526100469 532540245 /nfs/dbraw/zinc/54/02/45/532540245.db2.gz AIXVDTWYLVKINI-INIZCTEOSA-N 1 2 390.281 2.414 20 0 GEADLO Ic1ccc2c(c1)[C@@H]([NH2+]Cc1nnnn1C1CC1)CC2 ZINC000595029626 532540429 /nfs/dbraw/zinc/54/04/29/532540429.db2.gz XHUDBDOIJGBYHQ-ZDUSSCGKSA-N 1 2 381.221 2.390 20 0 GEADLO CCN1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000471114540 532542407 /nfs/dbraw/zinc/54/24/07/532542407.db2.gz VPGDDNKTBPHXGI-HUUCEWRRSA-N 1 2 392.301 2.077 20 0 GEADLO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000246899216 532544427 /nfs/dbraw/zinc/54/44/27/532544427.db2.gz GWNRXUVRVTXVPD-GDBMZVCRSA-N 1 2 381.929 2.154 20 0 GEADLO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000246899216 532544435 /nfs/dbraw/zinc/54/44/35/532544435.db2.gz GWNRXUVRVTXVPD-GDBMZVCRSA-N 1 2 381.929 2.154 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)NCC1(S(C)(=O)=O)CCC1)c1ccc(Cl)cc1 ZINC000283134290 532519598 /nfs/dbraw/zinc/51/95/98/532519598.db2.gz GVUWJPDTKPOGKI-OAHLLOKOSA-N 1 2 387.933 2.209 20 0 GEADLO O=C([C@@H]1CC12CCS(=O)(=O)CC2)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000374862185 532522000 /nfs/dbraw/zinc/52/20/00/532522000.db2.gz JUHRVAQGMSFGSE-HOCLYGCPSA-N 1 2 382.913 2.028 20 0 GEADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245550298 532522179 /nfs/dbraw/zinc/52/21/79/532522179.db2.gz HLRATZYBZUGTIR-CVEARBPZSA-N 1 2 382.917 2.414 20 0 GEADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245550298 532522183 /nfs/dbraw/zinc/52/21/83/532522183.db2.gz HLRATZYBZUGTIR-CVEARBPZSA-N 1 2 382.917 2.414 20 0 GEADLO COC(=O)[C@H](NCC[N@@H+]1C[C@H](C)OC[C@H]1C)c1cccc(Br)c1 ZINC000594711980 532522412 /nfs/dbraw/zinc/52/24/12/532522412.db2.gz OPHDGYRJZADUDV-DVOMOZLQSA-N 1 2 385.302 2.362 20 0 GEADLO COC(=O)[C@H](NCC[N@H+]1C[C@H](C)OC[C@H]1C)c1cccc(Br)c1 ZINC000594711980 532522414 /nfs/dbraw/zinc/52/24/14/532522414.db2.gz OPHDGYRJZADUDV-DVOMOZLQSA-N 1 2 385.302 2.362 20 0 GEADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000470201628 532523038 /nfs/dbraw/zinc/52/30/38/532523038.db2.gz IOIDVBWSSJASSI-CYBMUJFWSA-N 1 2 386.539 2.280 20 0 GEADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000470201628 532523043 /nfs/dbraw/zinc/52/30/43/532523043.db2.gz IOIDVBWSSJASSI-CYBMUJFWSA-N 1 2 386.539 2.280 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000470204666 532523345 /nfs/dbraw/zinc/52/33/45/532523345.db2.gz BFLOCZCFPRXHAL-LBPRGKRZSA-N 1 2 393.372 2.269 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000470204666 532523352 /nfs/dbraw/zinc/52/33/52/532523352.db2.gz BFLOCZCFPRXHAL-LBPRGKRZSA-N 1 2 393.372 2.269 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(Br)c(C)cc1OC ZINC000296495169 532524179 /nfs/dbraw/zinc/52/41/79/532524179.db2.gz LFRMJEAJZVNTJT-UHFFFAOYSA-N 1 2 395.257 2.237 20 0 GEADLO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245915165 532525211 /nfs/dbraw/zinc/52/52/11/532525211.db2.gz WCFZDPFQDKVLGE-CZUORRHYSA-N 1 2 396.329 2.460 20 0 GEADLO CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245915165 532525216 /nfs/dbraw/zinc/52/52/16/532525216.db2.gz WCFZDPFQDKVLGE-CZUORRHYSA-N 1 2 396.329 2.460 20 0 GEADLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245915168 532526164 /nfs/dbraw/zinc/52/61/64/532526164.db2.gz WCFZDPFQDKVLGE-XJKSGUPXSA-N 1 2 396.329 2.460 20 0 GEADLO CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245915168 532526168 /nfs/dbraw/zinc/52/61/68/532526168.db2.gz WCFZDPFQDKVLGE-XJKSGUPXSA-N 1 2 396.329 2.460 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCc2csc(Br)c2)CCO1 ZINC000523942376 532526577 /nfs/dbraw/zinc/52/65/77/532526577.db2.gz IHZJGOLOOWCJOX-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCc2csc(Br)c2)CCO1 ZINC000523942376 532526584 /nfs/dbraw/zinc/52/65/84/532526584.db2.gz IHZJGOLOOWCJOX-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc(Br)c1C ZINC000564560393 532527717 /nfs/dbraw/zinc/52/77/17/532527717.db2.gz CJUVVFRJUOMZAQ-UHFFFAOYSA-N 1 2 388.243 2.458 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)CCO1 ZINC000470448971 532528482 /nfs/dbraw/zinc/52/84/82/532528482.db2.gz WQIQSMWMCNGJOF-ZDUSSCGKSA-N 1 2 399.285 2.061 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)CCO1 ZINC000470448971 532528486 /nfs/dbraw/zinc/52/84/86/532528486.db2.gz WQIQSMWMCNGJOF-ZDUSSCGKSA-N 1 2 399.285 2.061 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)[C@H](C)Oc2cccc(Br)c2)CCO1 ZINC000470451825 532529055 /nfs/dbraw/zinc/52/90/55/532529055.db2.gz NMFRXMKQNXKDIE-ZFWWWQNUSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)[C@H](C)Oc2cccc(Br)c2)CCO1 ZINC000470451825 532529061 /nfs/dbraw/zinc/52/90/61/532529061.db2.gz NMFRXMKQNXKDIE-ZFWWWQNUSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000470442219 532529214 /nfs/dbraw/zinc/52/92/14/532529214.db2.gz MBUFCRHSQNCJTM-INIZCTEOSA-N 1 2 395.297 2.452 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000470442219 532529218 /nfs/dbraw/zinc/52/92/18/532529218.db2.gz MBUFCRHSQNCJTM-INIZCTEOSA-N 1 2 395.297 2.452 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1c(C)cc(Br)cc1OC ZINC000296598480 532530648 /nfs/dbraw/zinc/53/06/48/532530648.db2.gz VDHDMPAANREJQC-UHFFFAOYSA-N 1 2 395.257 2.237 20 0 GEADLO CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H](C)CS(C)(=O)=O ZINC000564751623 532530615 /nfs/dbraw/zinc/53/06/15/532530615.db2.gz WMTGWMXJYFRJGJ-BBRMVZONSA-N 1 2 389.949 2.407 20 0 GEADLO Cc1cc(N2CCC(O)(C(N)=O)CC2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631263531 532551399 /nfs/dbraw/zinc/55/13/99/532551399.db2.gz ISNUUCVNYRBWDG-UHFFFAOYSA-N 1 2 391.269 2.031 20 0 GEADLO C[C@H](CNC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000631289119 532552961 /nfs/dbraw/zinc/55/29/61/532552961.db2.gz OLYPOHSSGXAGGZ-LJHODMEESA-N 1 2 394.357 2.479 20 0 GEADLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cc(O)cc(Br)c1 ZINC000527829991 532554558 /nfs/dbraw/zinc/55/45/58/532554558.db2.gz CSULGAORQIJHDZ-UHFFFAOYSA-N 1 2 392.253 2.316 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNC(=O)c1nc2ccc(Br)cn2n1 ZINC000565291912 532555673 /nfs/dbraw/zinc/55/56/73/532555673.db2.gz SFJRDBKNPWKTSW-UHFFFAOYSA-N 1 2 377.246 2.274 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(Cl)n1 ZINC000248693801 532555802 /nfs/dbraw/zinc/55/58/02/532555802.db2.gz CDPFDLMLRIKXII-RBSFLKMASA-N 1 2 387.933 2.306 20 0 GEADLO O=C(CS(=O)(=O)Cc1ccc(Cl)s1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654306034 532556892 /nfs/dbraw/zinc/55/68/92/532556892.db2.gz ZJNOXRRTQLQMLU-KGLIPLIRSA-N 1 2 390.958 2.449 20 0 GEADLO O=C(CS(=O)(=O)Cc1ccc(Cl)s1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654306034 532556898 /nfs/dbraw/zinc/55/68/98/532556898.db2.gz ZJNOXRRTQLQMLU-KGLIPLIRSA-N 1 2 390.958 2.449 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000471767848 532558839 /nfs/dbraw/zinc/55/88/39/532558839.db2.gz HQUZSERRSAWRPC-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO C[C@@H]1CSCC[N@H+](CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000249012761 532559475 /nfs/dbraw/zinc/55/94/75/532559475.db2.gz JROFGNVCQPQNMH-RDJZCZTQSA-N 1 2 388.599 2.020 20 0 GEADLO C[C@@H]1CSCC[N@@H+](CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000249012761 532559480 /nfs/dbraw/zinc/55/94/80/532559480.db2.gz JROFGNVCQPQNMH-RDJZCZTQSA-N 1 2 388.599 2.020 20 0 GEADLO C[C@@]1(Br)C[C@@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000528266327 532561072 /nfs/dbraw/zinc/56/10/72/532561072.db2.gz JFFJIJSRWIHKAU-CRAIPNDOSA-N 1 2 397.313 2.187 20 0 GEADLO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)c1OC(F)F ZINC000375526306 532564363 /nfs/dbraw/zinc/56/43/63/532564363.db2.gz UONPUIKMBITOHF-HNNXBMFYSA-N 1 2 393.228 2.171 20 0 GEADLO Cc1cc(Br)cc(C[N@H+]2CCC[C@@](O)(C(N)=O)C2)c1OC(F)F ZINC000375526306 532564369 /nfs/dbraw/zinc/56/43/69/532564369.db2.gz UONPUIKMBITOHF-HNNXBMFYSA-N 1 2 393.228 2.171 20 0 GEADLO C[N@H+](C[C@H](O)C(F)(F)F)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000249378859 532564378 /nfs/dbraw/zinc/56/43/78/532564378.db2.gz URIMKOQCNVHQBO-RYUDHWBXSA-N 1 2 381.192 2.409 20 0 GEADLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000249378859 532564384 /nfs/dbraw/zinc/56/43/84/532564384.db2.gz URIMKOQCNVHQBO-RYUDHWBXSA-N 1 2 381.192 2.409 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433361570 532565341 /nfs/dbraw/zinc/56/53/41/532565341.db2.gz MUZPYEGLEOUDEJ-BETUJISGSA-N 1 2 376.906 2.078 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433361570 532565345 /nfs/dbraw/zinc/56/53/45/532565345.db2.gz MUZPYEGLEOUDEJ-BETUJISGSA-N 1 2 376.906 2.078 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cccc(Br)c1 ZINC000433367549 532565719 /nfs/dbraw/zinc/56/57/19/532565719.db2.gz VRKGFQCEANDVRJ-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cccc(Br)c1 ZINC000433367549 532565725 /nfs/dbraw/zinc/56/57/25/532565725.db2.gz VRKGFQCEANDVRJ-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000283921654 532566762 /nfs/dbraw/zinc/56/67/62/532566762.db2.gz IVRVCMCUTHZTLS-MLGOLLRUSA-N 1 2 397.317 2.315 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H](CO)O1 ZINC000249491387 532567595 /nfs/dbraw/zinc/56/75/95/532567595.db2.gz VINZNCFHBHSORV-WBMJQRKESA-N 1 2 378.270 2.488 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H](CO)O1 ZINC000249491387 532567604 /nfs/dbraw/zinc/56/76/04/532567604.db2.gz VINZNCFHBHSORV-WBMJQRKESA-N 1 2 378.270 2.488 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249589182 532569002 /nfs/dbraw/zinc/56/90/02/532569002.db2.gz UXAXXUBQELHWFQ-TVQRCGJNSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249589182 532569005 /nfs/dbraw/zinc/56/90/05/532569005.db2.gz UXAXXUBQELHWFQ-TVQRCGJNSA-N 1 2 375.252 2.421 20 0 GEADLO Cc1nc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)s1 ZINC000654053546 532546779 /nfs/dbraw/zinc/54/67/79/532546779.db2.gz PXMJSMYQNZVXPO-LPEHRKFASA-N 1 2 376.320 2.442 20 0 GEADLO Cc1nc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)s1 ZINC000654053546 532546785 /nfs/dbraw/zinc/54/67/85/532546785.db2.gz PXMJSMYQNZVXPO-LPEHRKFASA-N 1 2 376.320 2.442 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)C(=O)NCCC(C)C)[nH+]c12 ZINC000283585596 532546863 /nfs/dbraw/zinc/54/68/63/532546863.db2.gz NZLYVOCKNPYDSQ-UHFFFAOYSA-N 1 2 381.274 2.184 20 0 GEADLO Cc1nn(C)c(C[NH2+]Cc2c(Br)cnn2C)c1Br ZINC000631206804 532547879 /nfs/dbraw/zinc/54/78/79/532547879.db2.gz JYHJSOIHXHXGIV-UHFFFAOYSA-N 1 2 377.084 2.277 20 0 GEADLO O=C1NCCCN1C1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000284296891 532583775 /nfs/dbraw/zinc/58/37/75/532583775.db2.gz UTKUTPFXHVJDFQ-UHFFFAOYSA-N 1 2 392.301 2.477 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCc2c(Br)cccc2C1 ZINC000433950388 532584013 /nfs/dbraw/zinc/58/40/13/532584013.db2.gz XCVKIBZESUJTOP-UHFFFAOYSA-N 1 2 394.313 2.382 20 0 GEADLO Cc1cc(Br)oc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000433961526 532584176 /nfs/dbraw/zinc/58/41/76/532584176.db2.gz UTSBLJFONJBBDI-UHFFFAOYSA-N 1 2 392.253 2.446 20 0 GEADLO Cc1cc(Br)oc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000433961526 532584183 /nfs/dbraw/zinc/58/41/83/532584183.db2.gz UTSBLJFONJBBDI-UHFFFAOYSA-N 1 2 392.253 2.446 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000433940553 532584869 /nfs/dbraw/zinc/58/48/69/532584869.db2.gz KGMIGOMNHGLDAV-LBPRGKRZSA-N 1 2 390.315 2.162 20 0 GEADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000473116964 532585044 /nfs/dbraw/zinc/58/50/44/532585044.db2.gz FWIPJNOKITUUEH-AWEZNQCLSA-N 1 2 382.258 2.183 20 0 GEADLO CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000284309718 532586236 /nfs/dbraw/zinc/58/62/36/532586236.db2.gz IVZCGHRIYIYOEK-LBPRGKRZSA-N 1 2 387.933 2.196 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)s1 ZINC000473286110 532586661 /nfs/dbraw/zinc/58/66/61/532586661.db2.gz APPJTVKGLDXTSZ-UHFFFAOYSA-N 1 2 376.463 2.052 20 0 GEADLO COC(=O)Cc1cc[nH+]c(NC[C@H](O)COc2ccccc2Br)c1 ZINC000596168501 532589182 /nfs/dbraw/zinc/58/91/82/532589182.db2.gz NIWGIIBKFHQQTN-ZDUSSCGKSA-N 1 2 395.253 2.411 20 0 GEADLO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000251829405 532571359 /nfs/dbraw/zinc/57/13/59/532571359.db2.gz ZFBUMXPXFBGURQ-MLGOLLRUSA-N 1 2 382.302 2.227 20 0 GEADLO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000251829405 532571366 /nfs/dbraw/zinc/57/13/66/532571366.db2.gz ZFBUMXPXFBGURQ-MLGOLLRUSA-N 1 2 382.302 2.227 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCc1c(Cl)cccc1Cl ZINC000654873934 532572862 /nfs/dbraw/zinc/57/28/62/532572862.db2.gz TXCPHPLTERRNJC-CYBMUJFWSA-N 1 2 375.296 2.078 20 0 GEADLO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654884399 532573745 /nfs/dbraw/zinc/57/37/45/532573745.db2.gz PQANGLTZVCFELP-UPJWGTAASA-N 1 2 398.301 2.002 20 0 GEADLO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654884399 532573750 /nfs/dbraw/zinc/57/37/50/532573750.db2.gz PQANGLTZVCFELP-UPJWGTAASA-N 1 2 398.301 2.002 20 0 GEADLO C[C@]12COC[C@@H]1C[N@H+](CC(=O)Nc1ccccc1I)C2 ZINC000595759428 532573904 /nfs/dbraw/zinc/57/39/04/532573904.db2.gz PYZDPWGVSDPYNZ-NHYWBVRUSA-N 1 2 386.233 2.198 20 0 GEADLO C[C@]12COC[C@@H]1C[N@@H+](CC(=O)Nc1ccccc1I)C2 ZINC000595759428 532573907 /nfs/dbraw/zinc/57/39/07/532573907.db2.gz PYZDPWGVSDPYNZ-NHYWBVRUSA-N 1 2 386.233 2.198 20 0 GEADLO CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000375666524 532574982 /nfs/dbraw/zinc/57/49/82/532574982.db2.gz WOJXCGYKOVFROL-CJNGLKHVSA-N 1 2 385.555 2.091 20 0 GEADLO CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000375666524 532574987 /nfs/dbraw/zinc/57/49/87/532574987.db2.gz WOJXCGYKOVFROL-CJNGLKHVSA-N 1 2 385.555 2.091 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000595816792 532575339 /nfs/dbraw/zinc/57/53/39/532575339.db2.gz LASMJEMIHLXGBR-GUYCJALGSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000595816792 532575342 /nfs/dbraw/zinc/57/53/42/532575342.db2.gz LASMJEMIHLXGBR-GUYCJALGSA-N 1 2 392.279 2.387 20 0 GEADLO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000261663440 532575570 /nfs/dbraw/zinc/57/55/70/532575570.db2.gz GKNJBCGRNAVALT-CHWSQXEVSA-N 1 2 379.507 2.358 20 0 GEADLO O=C(CCc1c(Cl)cccc1Cl)N(CCO)CC[NH+]1CCOCC1 ZINC000654928425 532575648 /nfs/dbraw/zinc/57/56/48/532575648.db2.gz RFPQVXSUJDQNDI-UHFFFAOYSA-N 1 2 375.296 2.079 20 0 GEADLO COC(=O)c1cnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000595914697 532576148 /nfs/dbraw/zinc/57/61/48/532576148.db2.gz OJPUYZLXGLDECC-NXEZZACHSA-N 1 2 379.404 2.176 20 0 GEADLO COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000595914697 532576152 /nfs/dbraw/zinc/57/61/52/532576152.db2.gz OJPUYZLXGLDECC-NXEZZACHSA-N 1 2 379.404 2.176 20 0 GEADLO CCOC[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000528725879 532577250 /nfs/dbraw/zinc/57/72/50/532577250.db2.gz VXZIGPGZNRRXQF-HOCLYGCPSA-N 1 2 392.265 2.065 20 0 GEADLO CCOC[C@@H]1C[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000528725879 532577253 /nfs/dbraw/zinc/57/72/53/532577253.db2.gz VXZIGPGZNRRXQF-HOCLYGCPSA-N 1 2 392.265 2.065 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000632100166 532577239 /nfs/dbraw/zinc/57/72/39/532577239.db2.gz WFGLQKSHIFVXTM-RISCZKNCSA-N 1 2 378.479 2.470 20 0 GEADLO C[C@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243372 532581213 /nfs/dbraw/zinc/58/12/13/532581213.db2.gz YQORPUZLYWJMIT-MXWKQRLJSA-N 1 2 385.306 2.277 20 0 GEADLO C[C@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243372 532581218 /nfs/dbraw/zinc/58/12/18/532581218.db2.gz YQORPUZLYWJMIT-MXWKQRLJSA-N 1 2 385.306 2.277 20 0 GEADLO Ic1cnc(C[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)s1 ZINC000375761249 532581793 /nfs/dbraw/zinc/58/17/93/532581793.db2.gz HGRRQEKPGUYGLO-MNOVXSKESA-N 1 2 393.294 2.091 20 0 GEADLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632143957 532582044 /nfs/dbraw/zinc/58/20/44/532582044.db2.gz IALMLLLNBRZHPU-GFCCVEGCSA-N 1 2 378.479 2.360 20 0 GEADLO O=S(=O)(NCc1[nH]cc[nH+]1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000632143319 532582199 /nfs/dbraw/zinc/58/21/99/532582199.db2.gz SWKSAPWFFXJMBM-ZDUSSCGKSA-N 1 2 385.873 2.490 20 0 GEADLO O=C1NCCCC[C@H]1[NH+]1CCN(c2nc(C(Cl)(Cl)Cl)ns2)CC1 ZINC000376449552 532613626 /nfs/dbraw/zinc/61/36/26/532613626.db2.gz PXCKEMQTNHBMFS-SECBINFHSA-N 1 2 398.747 2.156 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000376487958 532614622 /nfs/dbraw/zinc/61/46/22/532614622.db2.gz ZNKQHBBUIBEUPT-HNNXBMFYSA-N 1 2 389.253 2.086 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000376487958 532614628 /nfs/dbraw/zinc/61/46/28/532614628.db2.gz ZNKQHBBUIBEUPT-HNNXBMFYSA-N 1 2 389.253 2.086 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000632501630 532615987 /nfs/dbraw/zinc/61/59/87/532615987.db2.gz DYUKQXMIWHQIKF-LSDHHAIUSA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)c2ccc3ncsc3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632502556 532616840 /nfs/dbraw/zinc/61/68/40/532616840.db2.gz WUJAUFAPSWQTMR-HOTGVXAUSA-N 1 2 381.523 2.074 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)CCc2ccccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000632503124 532617450 /nfs/dbraw/zinc/61/74/50/532617450.db2.gz VSRFIGABWYPBAE-IRXDYDNUSA-N 1 2 386.945 2.301 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000632502047 532617853 /nfs/dbraw/zinc/61/78/53/532617853.db2.gz JHVXTTUBNZBMDB-LSDHHAIUSA-N 1 2 376.881 2.257 20 0 GEADLO O=C(Nc1cc(I)ccc1O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597442712 532617989 /nfs/dbraw/zinc/61/79/89/532617989.db2.gz YFVKGKURYAXGPX-MRVPVSSYSA-N 1 2 383.189 2.464 20 0 GEADLO O=C(Nc1cc(I)ccc1O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597442712 532617994 /nfs/dbraw/zinc/61/79/94/532617994.db2.gz YFVKGKURYAXGPX-MRVPVSSYSA-N 1 2 383.189 2.464 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3C(F)(F)F)nn2)C1 ZINC000656435328 532620101 /nfs/dbraw/zinc/62/01/01/532620101.db2.gz OEUUKBPDYSAXEV-SNVBAGLBSA-N 1 2 394.806 2.216 20 0 GEADLO COc1ccc(Br)cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284783406 532620606 /nfs/dbraw/zinc/62/06/06/532620606.db2.gz KRGLNJWABCABCO-HIFRSBDPSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(Br)cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284783406 532620609 /nfs/dbraw/zinc/62/06/09/532620609.db2.gz KRGLNJWABCABCO-HIFRSBDPSA-N 1 2 384.274 2.395 20 0 GEADLO CN1CC[NH+](CCCCNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000530439167 532620839 /nfs/dbraw/zinc/62/08/39/532620839.db2.gz LVWPTFLGVHEUBI-UHFFFAOYSA-N 1 2 398.331 2.438 20 0 GEADLO COc1ccc(Br)c(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000284507989 532598362 /nfs/dbraw/zinc/59/83/62/532598362.db2.gz DROCGMKXGXZYQM-HUUCEWRRSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(Br)c(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000284507989 532598368 /nfs/dbraw/zinc/59/83/68/532598368.db2.gz DROCGMKXGXZYQM-HUUCEWRRSA-N 1 2 384.274 2.395 20 0 GEADLO Cc1ccc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1Br ZINC000473723120 532598477 /nfs/dbraw/zinc/59/84/77/532598477.db2.gz HUASMCWAIDZHBN-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO COc1cc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1Br ZINC000284539809 532600150 /nfs/dbraw/zinc/60/01/50/532600150.db2.gz HHUWXSOIFHISRA-KBPBESRZSA-N 1 2 384.274 2.395 20 0 GEADLO COc1cc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1Br ZINC000284539809 532600156 /nfs/dbraw/zinc/60/01/56/532600156.db2.gz HHUWXSOIFHISRA-KBPBESRZSA-N 1 2 384.274 2.395 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1Br ZINC000376187638 532600339 /nfs/dbraw/zinc/60/03/39/532600339.db2.gz MYILOKBIQVBACX-VXGBXAGGSA-N 1 2 385.306 2.231 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000434698714 532600508 /nfs/dbraw/zinc/60/05/08/532600508.db2.gz WPOUUWSEECNSIB-HNNXBMFYSA-N 1 2 384.318 2.018 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000434698714 532600511 /nfs/dbraw/zinc/60/05/11/532600511.db2.gz WPOUUWSEECNSIB-HNNXBMFYSA-N 1 2 384.318 2.018 20 0 GEADLO C[N@H+](CCN1CCOC(C)(C)C1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000434698714 532600514 /nfs/dbraw/zinc/60/05/14/532600514.db2.gz WPOUUWSEECNSIB-HNNXBMFYSA-N 1 2 384.318 2.018 20 0 GEADLO C[N@@H+](CCN1CCOC(C)(C)C1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000434698714 532600517 /nfs/dbraw/zinc/60/05/17/532600517.db2.gz WPOUUWSEECNSIB-HNNXBMFYSA-N 1 2 384.318 2.018 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000376203028 532601721 /nfs/dbraw/zinc/60/17/21/532601721.db2.gz INTIHGKWWKPVCO-JTQLQIEISA-N 1 2 395.232 2.276 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccsc1Br)C2 ZINC000566342395 532607012 /nfs/dbraw/zinc/60/70/12/532607012.db2.gz JUPLHWAFNOBJHN-JTQLQIEISA-N 1 2 384.299 2.295 20 0 GEADLO OCc1cn([C@@H]2CCC[N@H+](Cc3ncc(Cl)cc3Br)C2)nn1 ZINC000529590882 532608503 /nfs/dbraw/zinc/60/85/03/532608503.db2.gz PVKDDRFFFYMWMQ-GFCCVEGCSA-N 1 2 386.681 2.418 20 0 GEADLO OCc1cn([C@@H]2CCC[N@@H+](Cc3ncc(Cl)cc3Br)C2)nn1 ZINC000529590882 532608506 /nfs/dbraw/zinc/60/85/06/532608506.db2.gz PVKDDRFFFYMWMQ-GFCCVEGCSA-N 1 2 386.681 2.418 20 0 GEADLO CC(C)[C@@](C)([NH2+]Cc1nc(Cc2cccc(Br)c2)no1)C(N)=O ZINC000297785366 532608841 /nfs/dbraw/zinc/60/88/41/532608841.db2.gz WMUCOORTLXUWOP-MRXNPFEDSA-N 1 2 381.274 2.413 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000474301245 532611661 /nfs/dbraw/zinc/61/16/61/532611661.db2.gz CFBNYNBMNYBDGO-CQSZACIVSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000474301245 532611666 /nfs/dbraw/zinc/61/16/66/532611666.db2.gz CFBNYNBMNYBDGO-CQSZACIVSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000376450182 532613377 /nfs/dbraw/zinc/61/33/77/532613377.db2.gz PDHNJFSEUJESEX-QWRGUYRKSA-N 1 2 378.466 2.443 20 0 GEADLO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCCCCn2cc[nH+]c2)c1 ZINC000566719914 532625165 /nfs/dbraw/zinc/62/51/65/532625165.db2.gz ZFSUPCDORLQJBO-UHFFFAOYSA-N 1 2 385.873 2.390 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000474738157 532627171 /nfs/dbraw/zinc/62/71/71/532627171.db2.gz SOSFFOFSAFALBY-MRXNPFEDSA-N 1 2 384.318 2.247 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000474738157 532627177 /nfs/dbraw/zinc/62/71/77/532627177.db2.gz SOSFFOFSAFALBY-MRXNPFEDSA-N 1 2 384.318 2.247 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC1 ZINC000632597279 532627364 /nfs/dbraw/zinc/62/73/64/532627364.db2.gz NMYZMJITEOAGJJ-UHFFFAOYSA-N 1 2 389.905 2.081 20 0 GEADLO C[C@@]12CC[N@H+](Cc3nccc(N)n3)C[C@@H]1C2(Br)Br ZINC000284871464 532628226 /nfs/dbraw/zinc/62/82/26/532628226.db2.gz VELKPNRUQIFSBF-GZMMTYOYSA-N 1 2 376.096 2.387 20 0 GEADLO C[C@@]12CC[N@@H+](Cc3nccc(N)n3)C[C@@H]1C2(Br)Br ZINC000284871464 532628233 /nfs/dbraw/zinc/62/82/33/532628233.db2.gz VELKPNRUQIFSBF-GZMMTYOYSA-N 1 2 376.096 2.387 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)Cc1cc(F)ccc1Cl)[NH+]1CCOCC1 ZINC000656869491 532634590 /nfs/dbraw/zinc/63/45/90/532634590.db2.gz SDAMTWXQECLDCW-INIZCTEOSA-N 1 2 378.897 2.255 20 0 GEADLO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000475036063 532635265 /nfs/dbraw/zinc/63/52/65/532635265.db2.gz VOSUOONUYIPHCU-KRWDZBQOSA-N 1 2 389.279 2.065 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)Cc2cc(F)ccc2Cl)C1 ZINC000656873985 532635736 /nfs/dbraw/zinc/63/57/36/532635736.db2.gz JZGSMSGGJGCSJJ-OAHLLOKOSA-N 1 2 378.897 2.255 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)Cc2cc(F)ccc2Cl)C1 ZINC000656873985 532635746 /nfs/dbraw/zinc/63/57/46/532635746.db2.gz JZGSMSGGJGCSJJ-OAHLLOKOSA-N 1 2 378.897 2.255 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)sc2C1 ZINC000284990623 532637298 /nfs/dbraw/zinc/63/72/98/532637298.db2.gz GFTHSEZGDWBUCI-GFCCVEGCSA-N 1 2 377.491 2.031 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)sc2C1 ZINC000284990623 532637304 /nfs/dbraw/zinc/63/73/04/532637304.db2.gz GFTHSEZGDWBUCI-GFCCVEGCSA-N 1 2 377.491 2.031 20 0 GEADLO CC(C)[C@@H](CNC(=O)c1ccc(Br)cc1O)[NH+]1CCN(C)CC1 ZINC000436544953 532637946 /nfs/dbraw/zinc/63/79/46/532637946.db2.gz ARUVYHIADBUZOS-OAHLLOKOSA-N 1 2 384.318 2.157 20 0 GEADLO CC(C)[C@@H](CNC(=O)c1ccc(Br)cc1O)N1CC[NH+](C)CC1 ZINC000436544953 532637952 /nfs/dbraw/zinc/63/79/52/532637952.db2.gz ARUVYHIADBUZOS-OAHLLOKOSA-N 1 2 384.318 2.157 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000632668077 532637984 /nfs/dbraw/zinc/63/79/84/532637984.db2.gz NWWNYDUFZTZFLE-ZDUSSCGKSA-N 1 2 377.242 2.104 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000436601707 532638914 /nfs/dbraw/zinc/63/89/14/532638914.db2.gz DEJBANCCJJXYGP-SNVBAGLBSA-N 1 2 375.252 2.314 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000436601707 532638920 /nfs/dbraw/zinc/63/89/20/532638920.db2.gz DEJBANCCJJXYGP-SNVBAGLBSA-N 1 2 375.252 2.314 20 0 GEADLO O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000531911621 532639413 /nfs/dbraw/zinc/63/94/13/532639413.db2.gz VZVBKGIALSLYOG-CABCVRRESA-N 1 2 376.881 2.401 20 0 GEADLO O=S(=O)(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000531911912 532641592 /nfs/dbraw/zinc/64/15/92/532641592.db2.gz KQOARERUEASPIO-GJZGRUSLSA-N 1 2 378.416 2.026 20 0 GEADLO Cc1nc(CN(C)[C@H]2CCC[N@H+](Cc3c(Br)cnn3C)CC2)no1 ZINC000475616507 532642308 /nfs/dbraw/zinc/64/23/08/532642308.db2.gz FTLNUCVVEKCSBT-ZDUSSCGKSA-N 1 2 397.321 2.361 20 0 GEADLO Cc1nc(CN(C)[C@H]2CCC[N@@H+](Cc3c(Br)cnn3C)CC2)no1 ZINC000475616507 532642313 /nfs/dbraw/zinc/64/23/13/532642313.db2.gz FTLNUCVVEKCSBT-ZDUSSCGKSA-N 1 2 397.321 2.361 20 0 GEADLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(Cc3c(Br)cnn3C)CC2)no1 ZINC000475616507 532642320 /nfs/dbraw/zinc/64/23/20/532642320.db2.gz FTLNUCVVEKCSBT-ZDUSSCGKSA-N 1 2 397.321 2.361 20 0 GEADLO Cc1nc(C[N@H+](C)[C@H]2CCCN(Cc3c(Br)cnn3C)CC2)no1 ZINC000475616507 532642325 /nfs/dbraw/zinc/64/23/25/532642325.db2.gz FTLNUCVVEKCSBT-ZDUSSCGKSA-N 1 2 397.321 2.361 20 0 GEADLO Cc1cc(Cl)nc(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000377103463 532642792 /nfs/dbraw/zinc/64/27/92/532642792.db2.gz HHFYLBHBVHDPAV-QGZVFWFLSA-N 1 2 384.933 2.051 20 0 GEADLO COc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1NS(C)(=O)=O ZINC000532042932 532643212 /nfs/dbraw/zinc/64/32/12/532643212.db2.gz NSIQRLDHVRPHFM-UHFFFAOYSA-N 1 2 383.495 2.442 20 0 GEADLO CN1C(=O)NCC12CC[NH+](CC(=O)Nc1ccc(Br)cc1F)CC2 ZINC000567727799 532660675 /nfs/dbraw/zinc/66/06/75/532660675.db2.gz FDJWYUHNZKQVMR-UHFFFAOYSA-N 1 2 399.264 2.016 20 0 GEADLO CCC(=O)N[C@@H](CCSC)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264105803 532661671 /nfs/dbraw/zinc/66/16/71/532661671.db2.gz IHUAUZWESBNCPK-NSHDSACASA-N 1 2 380.436 2.052 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)c3ccc(Br)cc3F)CC2)CCCC1 ZINC000377587571 532662681 /nfs/dbraw/zinc/66/26/81/532662681.db2.gz YIIZEFJXLJUOLG-UHFFFAOYSA-N 1 2 398.276 2.144 20 0 GEADLO Cc1ncc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000533174819 532663026 /nfs/dbraw/zinc/66/30/26/532663026.db2.gz JKQZIWHNWLYSFA-XJKSGUPXSA-N 1 2 381.523 2.019 20 0 GEADLO Cc1ncc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000533174819 532663031 /nfs/dbraw/zinc/66/30/31/532663031.db2.gz JKQZIWHNWLYSFA-XJKSGUPXSA-N 1 2 381.523 2.019 20 0 GEADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)CCC(F)(F)F ZINC000533490673 532663744 /nfs/dbraw/zinc/66/37/44/532663744.db2.gz YNQCRRLQDKBFJU-LLVKDONJSA-N 1 2 381.420 2.148 20 0 GEADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)CCC(F)(F)F ZINC000533490673 532663747 /nfs/dbraw/zinc/66/37/47/532663747.db2.gz YNQCRRLQDKBFJU-LLVKDONJSA-N 1 2 381.420 2.148 20 0 GEADLO COc1ccc([C@H](C)[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(Br)c1 ZINC000377631185 532665654 /nfs/dbraw/zinc/66/56/54/532665654.db2.gz WAPCQCGEAYPAOH-CMPLNLGQSA-N 1 2 377.304 2.272 20 0 GEADLO COc1ccc([C@H](C)[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(Br)c1 ZINC000377631185 532665658 /nfs/dbraw/zinc/66/56/58/532665658.db2.gz WAPCQCGEAYPAOH-CMPLNLGQSA-N 1 2 377.304 2.272 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000599564165 532666813 /nfs/dbraw/zinc/66/68/13/532666813.db2.gz GBKIQDLFRFLRNF-BZNIZROVSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000599564165 532666818 /nfs/dbraw/zinc/66/68/18/532666818.db2.gz GBKIQDLFRFLRNF-BZNIZROVSA-N 1 2 385.258 2.040 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ncsc2Br)CC1 ZINC000659995220 532668170 /nfs/dbraw/zinc/66/81/70/532668170.db2.gz AFWAYHPCRJHREU-LBPRGKRZSA-N 1 2 387.347 2.034 20 0 GEADLO C[C@H]([C@H](C)NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)[NH+]1CCOCC1 ZINC000264288836 532668730 /nfs/dbraw/zinc/66/87/30/532668730.db2.gz QSWDJACMNYUKKM-NWDGAFQWSA-N 1 2 385.295 2.409 20 0 GEADLO O=S(=O)(Nc1cccc(C[NH+]2CCSCC2)c1)c1cnc2n1CCC2 ZINC000438248054 532668818 /nfs/dbraw/zinc/66/88/18/532668818.db2.gz FQZDKWRBLRKJAY-UHFFFAOYSA-N 1 2 378.523 2.179 20 0 GEADLO CC(C)NS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Br)cc1 ZINC000660013518 532668915 /nfs/dbraw/zinc/66/89/15/532668915.db2.gz KPLVEPAJORBQOP-ZDUSSCGKSA-N 1 2 387.303 2.104 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000377342079 532652351 /nfs/dbraw/zinc/65/23/51/532652351.db2.gz HVGHPLQZHXULRN-HNNXBMFYSA-N 1 2 383.495 2.119 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@]34CCc3cc(Br)ccc34)C[C@@H]21 ZINC000377328793 532652943 /nfs/dbraw/zinc/65/29/43/532652943.db2.gz DFLYTMPIAXUQAC-BMFAXAFESA-N 1 2 391.309 2.194 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@]34CCc3cc(Br)ccc34)C[C@@H]21 ZINC000377328793 532652951 /nfs/dbraw/zinc/65/29/51/532652951.db2.gz DFLYTMPIAXUQAC-BMFAXAFESA-N 1 2 391.309 2.194 20 0 GEADLO COc1cc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)ccc1Br ZINC000437225779 532653545 /nfs/dbraw/zinc/65/35/45/532653545.db2.gz DSICBNMWXFJFPJ-UHFFFAOYSA-N 1 2 398.238 2.000 20 0 GEADLO O=S(=O)(CCc1ccccc1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000656982794 532653685 /nfs/dbraw/zinc/65/36/85/532653685.db2.gz DIKYIUJVCFOSEK-INIZCTEOSA-N 1 2 386.945 2.257 20 0 GEADLO COc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1I ZINC000532420975 532653778 /nfs/dbraw/zinc/65/37/78/532653778.db2.gz NAFMAEQTGAYCDM-UHFFFAOYSA-N 1 2 383.189 2.193 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000532711286 532654487 /nfs/dbraw/zinc/65/44/87/532654487.db2.gz ICTOTFFMUQSLQI-ZYHUDNBSSA-N 1 2 394.324 2.334 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000532711286 532654492 /nfs/dbraw/zinc/65/44/92/532654492.db2.gz ICTOTFFMUQSLQI-ZYHUDNBSSA-N 1 2 394.324 2.334 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000532711283 532655291 /nfs/dbraw/zinc/65/52/91/532655291.db2.gz ICTOTFFMUQSLQI-CMPLNLGQSA-N 1 2 394.324 2.334 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000532711283 532655299 /nfs/dbraw/zinc/65/52/99/532655299.db2.gz ICTOTFFMUQSLQI-CMPLNLGQSA-N 1 2 394.324 2.334 20 0 GEADLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298547317 532658888 /nfs/dbraw/zinc/65/88/88/532658888.db2.gz DNGSHKDOFDOYBS-ZDUSSCGKSA-N 1 2 390.908 2.194 20 0 GEADLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298547317 532658894 /nfs/dbraw/zinc/65/88/94/532658894.db2.gz DNGSHKDOFDOYBS-ZDUSSCGKSA-N 1 2 390.908 2.194 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1csc(Br)c1 ZINC000264285863 532669138 /nfs/dbraw/zinc/66/91/38/532669138.db2.gz JBTNZVZTVKGWBR-UHFFFAOYSA-N 1 2 385.287 2.292 20 0 GEADLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cnn4cc(Br)cnc34)[C@H]2C1 ZINC000638180064 532684807 /nfs/dbraw/zinc/68/48/07/532684807.db2.gz LAPBTUXWOAESAC-QLFBSQMISA-N 1 2 381.274 2.260 20 0 GEADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cnn4cc(Br)cnc34)[C@H]2C1 ZINC000638180064 532684812 /nfs/dbraw/zinc/68/48/12/532684812.db2.gz LAPBTUXWOAESAC-QLFBSQMISA-N 1 2 381.274 2.260 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCc1ccc(I)s1 ZINC000601565761 532685442 /nfs/dbraw/zinc/68/54/42/532685442.db2.gz CIDNUZQBUYEEPQ-UHFFFAOYSA-N 1 2 390.250 2.460 20 0 GEADLO COC(=O)C1CC[NH+](CCCNC(=O)c2cccc(Br)c2O)CC1 ZINC000535718746 532685687 /nfs/dbraw/zinc/68/56/87/532685687.db2.gz VZPPBFKKBDEGIU-UHFFFAOYSA-N 1 2 399.285 2.160 20 0 GEADLO NC(=O)NC(=O)OCCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000265007694 532685761 /nfs/dbraw/zinc/68/57/61/532685761.db2.gz GORJXZUMVXLQMK-ZDUSSCGKSA-N 1 2 386.246 2.017 20 0 GEADLO NC(=O)NC(=O)OCCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000265007694 532685765 /nfs/dbraw/zinc/68/57/65/532685765.db2.gz GORJXZUMVXLQMK-ZDUSSCGKSA-N 1 2 386.246 2.017 20 0 GEADLO CSc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000264296433 532670220 /nfs/dbraw/zinc/67/02/20/532670220.db2.gz CICDWPWBTSUGII-NWDGAFQWSA-N 1 2 385.917 2.226 20 0 GEADLO Cc1cc(NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)c(C)c[nH+]1 ZINC000534299428 532670734 /nfs/dbraw/zinc/67/07/34/532670734.db2.gz RLJHQGJFNTUZPU-UHFFFAOYSA-N 1 2 397.547 2.172 20 0 GEADLO CNC(=O)c1cccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1Br ZINC000377817531 532671290 /nfs/dbraw/zinc/67/12/90/532671290.db2.gz UUVVATNAVJBFBN-VIFPVBQESA-N 1 2 392.257 2.211 20 0 GEADLO CNC(=O)c1cccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1Br ZINC000377817531 532671297 /nfs/dbraw/zinc/67/12/97/532671297.db2.gz UUVVATNAVJBFBN-VIFPVBQESA-N 1 2 392.257 2.211 20 0 GEADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000377900491 532672945 /nfs/dbraw/zinc/67/29/45/532672945.db2.gz GUECKEYEARCIGU-OAHLLOKOSA-N 1 2 382.917 2.146 20 0 GEADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000377900491 532672948 /nfs/dbraw/zinc/67/29/48/532672948.db2.gz GUECKEYEARCIGU-OAHLLOKOSA-N 1 2 382.917 2.146 20 0 GEADLO O=S(=O)(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccc(F)cc1Cl ZINC000660033567 532673011 /nfs/dbraw/zinc/67/30/11/532673011.db2.gz ANCOPXVQUULCFX-HZPDHXFCSA-N 1 2 388.892 2.401 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000264480252 532676629 /nfs/dbraw/zinc/67/66/29/532676629.db2.gz VIHGLIXOKYLFPV-ZDUSSCGKSA-N 1 2 386.323 2.452 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCC[S@@](=O)Cc1ccccc1 ZINC000264639203 532677943 /nfs/dbraw/zinc/67/79/43/532677943.db2.gz MIDRDCPAZNIKMZ-HSZRJFAPSA-N 1 2 394.298 2.487 20 0 GEADLO O=C(CS(=O)(=O)Cc1ccc(Cl)s1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000637631375 532678227 /nfs/dbraw/zinc/67/82/27/532678227.db2.gz MOQYZHGNHVVTPT-ZDUSSCGKSA-N 1 2 390.958 2.449 20 0 GEADLO O=C(CS(=O)(=O)Cc1ccc(Cl)s1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000637631375 532678237 /nfs/dbraw/zinc/67/82/37/532678237.db2.gz MOQYZHGNHVVTPT-ZDUSSCGKSA-N 1 2 390.958 2.449 20 0 GEADLO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378060631 532678962 /nfs/dbraw/zinc/67/89/62/532678962.db2.gz PUZXOOLCSRVFAS-DOMZBBRYSA-N 1 2 379.258 2.062 20 0 GEADLO O=C(NC[C@H](O)c1cccc(Br)c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378060631 532678969 /nfs/dbraw/zinc/67/89/69/532678969.db2.gz PUZXOOLCSRVFAS-DOMZBBRYSA-N 1 2 379.258 2.062 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(Br)cc2cccnc21 ZINC000535345375 532679425 /nfs/dbraw/zinc/67/94/25/532679425.db2.gz MVSJDOZGZPRSHV-LBPRGKRZSA-N 1 2 378.270 2.448 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(Br)cc2cccnc21 ZINC000535345375 532679432 /nfs/dbraw/zinc/67/94/32/532679432.db2.gz MVSJDOZGZPRSHV-LBPRGKRZSA-N 1 2 378.270 2.448 20 0 GEADLO CC(=O)N[C@@H](CC(=O)N1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000378116804 532680140 /nfs/dbraw/zinc/68/01/40/532680140.db2.gz LVMVOJBACQPSBI-INIZCTEOSA-N 1 2 391.269 2.255 20 0 GEADLO C[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C[C@H]1C(N)=O ZINC000285444437 532680511 /nfs/dbraw/zinc/68/05/11/532680511.db2.gz JAJHYAUNGJKPTA-DAXOMENPSA-N 1 2 394.313 2.166 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)C(=O)NCc1ccsc1Br ZINC000285457816 532681240 /nfs/dbraw/zinc/68/12/40/532681240.db2.gz ZSNYWVARAVWFIF-UHFFFAOYSA-N 1 2 397.298 2.140 20 0 GEADLO C[C@@H](C[NH+]1CCN(c2ccc(Br)cc2)CC1)CS(C)(=O)=O ZINC000661575671 532681407 /nfs/dbraw/zinc/68/14/07/532681407.db2.gz AEFGVVXMZOOLPF-ZDUSSCGKSA-N 1 2 375.332 2.252 20 0 GEADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000568588535 532682097 /nfs/dbraw/zinc/68/20/97/532682097.db2.gz QSSMMELLVSLEDM-ZBFHGGJFSA-N 1 2 384.567 2.483 20 0 GEADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000568588535 532682103 /nfs/dbraw/zinc/68/21/03/532682103.db2.gz QSSMMELLVSLEDM-ZBFHGGJFSA-N 1 2 384.567 2.483 20 0 GEADLO C[N@H+](Cc1cn(C[C@H]2CCOC2)nn1)[C@@H](CO)c1cccc(Br)c1 ZINC000638140599 532682220 /nfs/dbraw/zinc/68/22/20/532682220.db2.gz NQBLTJOXQFIEPO-DYVFJYSZSA-N 1 2 395.301 2.243 20 0 GEADLO C[N@@H+](Cc1cn(C[C@H]2CCOC2)nn1)[C@@H](CO)c1cccc(Br)c1 ZINC000638140599 532682222 /nfs/dbraw/zinc/68/22/22/532682222.db2.gz NQBLTJOXQFIEPO-DYVFJYSZSA-N 1 2 395.301 2.243 20 0 GEADLO O=c1c2sccc2nc(S[C@@H]2CCOC2)n1CCC[NH+]1CCOCC1 ZINC000568602884 532682885 /nfs/dbraw/zinc/68/28/85/532682885.db2.gz PNYSWGXIOKRXQE-CYBMUJFWSA-N 1 2 381.523 2.061 20 0 GEADLO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1nnc2n1CCC2 ZINC000568621454 532683121 /nfs/dbraw/zinc/68/31/21/532683121.db2.gz OIVKYEWEEYLQQD-NSHDSACASA-N 1 2 399.314 2.111 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285562796 532692017 /nfs/dbraw/zinc/69/20/17/532692017.db2.gz NEXFFMLQQTYLHQ-CQSZACIVSA-N 1 2 380.388 2.253 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285562796 532692023 /nfs/dbraw/zinc/69/20/23/532692023.db2.gz NEXFFMLQQTYLHQ-CQSZACIVSA-N 1 2 380.388 2.253 20 0 GEADLO Cc1cc(Br)c(CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)s1 ZINC000664401656 532692293 /nfs/dbraw/zinc/69/22/93/532692293.db2.gz RLQNNAPLTKFBSA-UHFFFAOYSA-N 1 2 396.314 2.500 20 0 GEADLO Cc1cc(Br)c(CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)s1 ZINC000664401656 532692295 /nfs/dbraw/zinc/69/22/95/532692295.db2.gz RLQNNAPLTKFBSA-UHFFFAOYSA-N 1 2 396.314 2.500 20 0 GEADLO COc1c(N)[nH+]cnc1N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000569259251 532694350 /nfs/dbraw/zinc/69/43/50/532694350.db2.gz XFRFEYYCEHXTFS-UHFFFAOYSA-N 1 2 382.251 2.337 20 0 GEADLO COc1c(N)nc[nH+]c1N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000569259251 532694357 /nfs/dbraw/zinc/69/43/57/532694357.db2.gz XFRFEYYCEHXTFS-UHFFFAOYSA-N 1 2 382.251 2.337 20 0 GEADLO CSCCC[N@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000439467140 532694777 /nfs/dbraw/zinc/69/47/77/532694777.db2.gz IBHIJZJVJVZXLV-MRXNPFEDSA-N 1 2 376.588 2.020 20 0 GEADLO CSCCC[N@@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000439467140 532694780 /nfs/dbraw/zinc/69/47/80/532694780.db2.gz IBHIJZJVJVZXLV-MRXNPFEDSA-N 1 2 376.588 2.020 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439439693 532694893 /nfs/dbraw/zinc/69/48/93/532694893.db2.gz MUNFHUVNUPMCFA-DZGCQCFKSA-N 1 2 390.249 2.355 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439439693 532694898 /nfs/dbraw/zinc/69/48/98/532694898.db2.gz MUNFHUVNUPMCFA-DZGCQCFKSA-N 1 2 390.249 2.355 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665318969 532695385 /nfs/dbraw/zinc/69/53/85/532695385.db2.gz HQWSSEVJRXJGFY-NSHDSACASA-N 1 2 391.269 2.374 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665318969 532695388 /nfs/dbraw/zinc/69/53/88/532695388.db2.gz HQWSSEVJRXJGFY-NSHDSACASA-N 1 2 391.269 2.374 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1O ZINC000378499399 532697385 /nfs/dbraw/zinc/69/73/85/532697385.db2.gz QFDACGCPEVKQIT-LBPRGKRZSA-N 1 2 384.274 2.153 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1O ZINC000378499399 532697394 /nfs/dbraw/zinc/69/73/94/532697394.db2.gz QFDACGCPEVKQIT-LBPRGKRZSA-N 1 2 384.274 2.153 20 0 GEADLO C[N@@H+]1CCN(C2CCN(C(=O)Cc3cc(Cl)ccc3Cl)CC2)C(=O)C1 ZINC000378569984 532698283 /nfs/dbraw/zinc/69/82/83/532698283.db2.gz IIXWMSSSRFHPQX-UHFFFAOYSA-N 1 2 384.307 2.301 20 0 GEADLO C[N@H+]1CCN(C2CCN(C(=O)Cc3cc(Cl)ccc3Cl)CC2)C(=O)C1 ZINC000378569984 532698293 /nfs/dbraw/zinc/69/82/93/532698293.db2.gz IIXWMSSSRFHPQX-UHFFFAOYSA-N 1 2 384.307 2.301 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)COc1cccc(Br)c1 ZINC000285696703 532699730 /nfs/dbraw/zinc/69/97/30/532699730.db2.gz HFMDSIHKJGNTMK-ZFWWWQNUSA-N 1 2 383.286 2.150 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000266039519 532700991 /nfs/dbraw/zinc/70/09/91/532700991.db2.gz GILJWJVXHOHFJL-UHFFFAOYSA-N 1 2 395.257 2.113 20 0 GEADLO CC(C)[C@H]1CCC[N@@H+]1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000299229340 532702770 /nfs/dbraw/zinc/70/27/70/532702770.db2.gz PJVMMDITFHGCJK-DOTOQJQBSA-N 1 2 384.567 2.384 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(F)cc2Br)[C@@H](C)CO1 ZINC000663783351 532687072 /nfs/dbraw/zinc/68/70/72/532687072.db2.gz IKUUDRIFIRZDLG-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(F)cc2Br)[C@@H](C)CO1 ZINC000663783351 532687078 /nfs/dbraw/zinc/68/70/78/532687078.db2.gz IKUUDRIFIRZDLG-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(CCO)Cc1cc(Br)ccc1F ZINC000378283381 532687444 /nfs/dbraw/zinc/68/74/44/532687444.db2.gz COILPRWOMXTNFK-GFCCVEGCSA-N 1 2 396.260 2.368 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000569010383 532687655 /nfs/dbraw/zinc/68/76/55/532687655.db2.gz JPISFEZRDHRXAY-QMMMGPOBSA-N 1 2 385.287 2.404 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C1 ZINC000378267291 532687891 /nfs/dbraw/zinc/68/78/91/532687891.db2.gz KVWNNANLLQDMSC-LLVKDONJSA-N 1 2 377.242 2.137 20 0 GEADLO CC(C)[C@H]1CCC[N@H+]1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000299229340 532702775 /nfs/dbraw/zinc/70/27/75/532702775.db2.gz PJVMMDITFHGCJK-DOTOQJQBSA-N 1 2 384.567 2.384 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000663976756 532688950 /nfs/dbraw/zinc/68/89/50/532688950.db2.gz YMGGKGPXQFVJLT-AWEZNQCLSA-N 1 2 379.258 2.466 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000663976758 532689313 /nfs/dbraw/zinc/68/93/13/532689313.db2.gz YMGGKGPXQFVJLT-CQSZACIVSA-N 1 2 379.258 2.466 20 0 GEADLO Cc1cc(I)cnc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000569697337 532704325 /nfs/dbraw/zinc/70/43/25/532704325.db2.gz NRETWZVRYRBEPE-SNVBAGLBSA-N 1 2 382.205 2.392 20 0 GEADLO Cc1ccc(C[NH2+]Cc2ncc(I)s2)c(=O)n1C ZINC000285778011 532706230 /nfs/dbraw/zinc/70/62/30/532706230.db2.gz DTEHJARFZUHRER-UHFFFAOYSA-N 1 2 375.235 2.045 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1Cl ZINC000608045314 532710694 /nfs/dbraw/zinc/71/06/94/532710694.db2.gz WRHNORQDOJDHSZ-AWEZNQCLSA-N 1 2 388.917 2.224 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C)c1ccc(Cl)cc1Cl ZINC000285820635 532710783 /nfs/dbraw/zinc/71/07/83/532710783.db2.gz FGCJIDFANOIDGE-VQISRLSMSA-N 1 2 385.295 2.269 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C)c1ccc(Cl)cc1Cl ZINC000285820635 532710790 /nfs/dbraw/zinc/71/07/90/532710790.db2.gz FGCJIDFANOIDGE-VQISRLSMSA-N 1 2 385.295 2.269 20 0 GEADLO O=C(Nc1cccc(C2SCCS2)c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000299364807 532712762 /nfs/dbraw/zinc/71/27/62/532712762.db2.gz QPRCCDUVEMUOMH-UHFFFAOYSA-N 1 2 377.535 2.410 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000492209233 532712888 /nfs/dbraw/zinc/71/28/88/532712888.db2.gz SMQDDTLQZLGZSD-HNNXBMFYSA-N 1 2 391.331 2.104 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000492209233 532712891 /nfs/dbraw/zinc/71/28/91/532712891.db2.gz SMQDDTLQZLGZSD-HNNXBMFYSA-N 1 2 391.331 2.104 20 0 GEADLO COc1ccc([C@@H](C)N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1Br ZINC000285902775 532717210 /nfs/dbraw/zinc/71/72/10/532717210.db2.gz KLTYAWYUNOGCNE-RNCFNFMXSA-N 1 2 393.241 2.405 20 0 GEADLO COc1ccc([C@@H](C)N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cc1Br ZINC000285902775 532717218 /nfs/dbraw/zinc/71/72/18/532717218.db2.gz KLTYAWYUNOGCNE-RNCFNFMXSA-N 1 2 393.241 2.405 20 0 GEADLO CN(C)C(=O)NCC[N@@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000538809809 532719883 /nfs/dbraw/zinc/71/98/83/532719883.db2.gz IETGVJSBNMTOHR-UHFFFAOYSA-N 1 2 382.262 2.202 20 0 GEADLO COc1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)ccc1Br ZINC000538851844 532720712 /nfs/dbraw/zinc/72/07/12/532720712.db2.gz FMRJBIFZGADAQJ-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)ccc1Br ZINC000538851844 532720717 /nfs/dbraw/zinc/72/07/17/532720717.db2.gz FMRJBIFZGADAQJ-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000646112538 532723260 /nfs/dbraw/zinc/72/32/60/532723260.db2.gz RGTQEDMMHFQAEO-ABAIWWIYSA-N 1 2 378.416 2.152 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000646112538 532723266 /nfs/dbraw/zinc/72/32/66/532723266.db2.gz RGTQEDMMHFQAEO-ABAIWWIYSA-N 1 2 378.416 2.152 20 0 GEADLO CCC(=O)N1CCC[C@@H](C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000497400064 532723406 /nfs/dbraw/zinc/72/34/06/532723406.db2.gz QVXHWVTXSKRCDA-GFCCVEGCSA-N 1 2 393.285 2.362 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000286005332 532724475 /nfs/dbraw/zinc/72/44/75/532724475.db2.gz YQAAYVUMGHULLS-IVMMDQJWSA-N 1 2 395.297 2.247 20 0 GEADLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[S@](=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539162849 532725556 /nfs/dbraw/zinc/72/55/56/532725556.db2.gz MLRGCFWAAPIHSP-QCOBUCSMSA-N 1 2 387.908 2.435 20 0 GEADLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[S@](=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539162849 532725560 /nfs/dbraw/zinc/72/55/60/532725560.db2.gz MLRGCFWAAPIHSP-QCOBUCSMSA-N 1 2 387.908 2.435 20 0 GEADLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N(CCO)Cc1cc(Br)ccc1F ZINC000613034262 532725971 /nfs/dbraw/zinc/72/59/71/532725971.db2.gz QWXPEZVIJZPAKX-LLVKDONJSA-N 1 2 396.260 2.437 20 0 GEADLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N(CCO)Cc1cc(Br)ccc1F ZINC000613034262 532725974 /nfs/dbraw/zinc/72/59/74/532725974.db2.gz QWXPEZVIJZPAKX-LLVKDONJSA-N 1 2 396.260 2.437 20 0 GEADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000266806003 532726056 /nfs/dbraw/zinc/72/60/56/532726056.db2.gz UBIBSSXZQZWQGQ-UHFFFAOYSA-N 1 2 382.313 2.120 20 0 GEADLO O=S(=O)(c1c[nH]c2ncccc12)N1CC[NH+](CCc2cccs2)CC1 ZINC000299548916 532726536 /nfs/dbraw/zinc/72/65/36/532726536.db2.gz PGBTWITZJLUYPR-UHFFFAOYSA-N 1 2 376.507 2.173 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)CCC(=O)c1ccc(I)cc1 ZINC000576199776 532726714 /nfs/dbraw/zinc/72/67/14/532726714.db2.gz MQUWAFZLNAWIMT-UHFFFAOYSA-N 1 2 397.216 2.304 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000286079341 532727557 /nfs/dbraw/zinc/72/75/57/532727557.db2.gz AEXVONUYLNWIAL-AAEUAGOBSA-N 1 2 393.285 2.261 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000266973940 532731411 /nfs/dbraw/zinc/73/14/11/532731411.db2.gz APHJLDQBVOWCNS-WMLDXEAASA-N 1 2 386.945 2.491 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000266973940 532731413 /nfs/dbraw/zinc/73/14/13/532731413.db2.gz APHJLDQBVOWCNS-WMLDXEAASA-N 1 2 386.945 2.491 20 0 GEADLO CN(C)C(=O)NCC[N@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000538809809 532719878 /nfs/dbraw/zinc/71/98/78/532719878.db2.gz IETGVJSBNMTOHR-UHFFFAOYSA-N 1 2 382.262 2.202 20 0 GEADLO O=S(=O)(c1cc(Cl)sc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267510710 532743206 /nfs/dbraw/zinc/74/32/06/532743206.db2.gz PWMYSKRBRZEKJO-JTQLQIEISA-N 1 2 385.338 2.398 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000301176893 532743609 /nfs/dbraw/zinc/74/36/09/532743609.db2.gz XDJMYDZEXOWZRQ-SNVBAGLBSA-N 1 2 387.241 2.343 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCc2sc(Br)cc2C1 ZINC000676415840 532744087 /nfs/dbraw/zinc/74/40/87/532744087.db2.gz DSPHECYODDIQBP-LLVKDONJSA-N 1 2 388.331 2.299 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000503320393 532745906 /nfs/dbraw/zinc/74/59/06/532745906.db2.gz CIIWQGALUZBDSR-UHFFFAOYSA-N 1 2 391.256 2.497 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000503320393 532745911 /nfs/dbraw/zinc/74/59/11/532745911.db2.gz CIIWQGALUZBDSR-UHFFFAOYSA-N 1 2 391.256 2.497 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](C)Cc1cccc(Br)c1)C(=O)N1CCCCC1 ZINC000615118242 532746144 /nfs/dbraw/zinc/74/61/44/532746144.db2.gz PAUHFPHAYNZNBN-CQSZACIVSA-N 1 2 396.329 2.398 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1cccc(Br)c1)C(=O)N1CCCCC1 ZINC000615118242 532746147 /nfs/dbraw/zinc/74/61/47/532746147.db2.gz PAUHFPHAYNZNBN-CQSZACIVSA-N 1 2 396.329 2.398 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000286425322 532746475 /nfs/dbraw/zinc/74/64/75/532746475.db2.gz IOIMSKSVFKTNMJ-YMTOWFKASA-N 1 2 379.766 2.489 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000286425322 532746479 /nfs/dbraw/zinc/74/64/79/532746479.db2.gz IOIMSKSVFKTNMJ-YMTOWFKASA-N 1 2 379.766 2.489 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000286425316 532746494 /nfs/dbraw/zinc/74/64/94/532746494.db2.gz IOIMSKSVFKTNMJ-OTYXRUKQSA-N 1 2 379.766 2.489 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000286425316 532746495 /nfs/dbraw/zinc/74/64/95/532746495.db2.gz IOIMSKSVFKTNMJ-OTYXRUKQSA-N 1 2 379.766 2.489 20 0 GEADLO CS[C@@H]1CCC[C@H](Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C1 ZINC000301289786 532746819 /nfs/dbraw/zinc/74/68/19/532746819.db2.gz OJMNKVJNFUEGMP-LSDHHAIUSA-N 1 2 384.571 2.104 20 0 GEADLO CS(=O)(=O)c1nnc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)s1 ZINC000286212982 532734214 /nfs/dbraw/zinc/73/42/14/532734214.db2.gz QOCUXKUGFMSVRS-HNNXBMFYSA-N 1 2 387.914 2.086 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000267157743 532735145 /nfs/dbraw/zinc/73/51/45/532735145.db2.gz PESANDDTKMHNDC-GFCCVEGCSA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000267157743 532735150 /nfs/dbraw/zinc/73/51/50/532735150.db2.gz PESANDDTKMHNDC-GFCCVEGCSA-N 1 2 379.295 2.349 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)NCCCn1cc[nH+]c1 ZINC000286216867 532735328 /nfs/dbraw/zinc/73/53/28/532735328.db2.gz QSUCRIAHYGZJQD-UHFFFAOYSA-N 1 2 380.242 2.434 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC[N@@H+]1CCOC ZINC000501145207 532736804 /nfs/dbraw/zinc/73/68/04/532736804.db2.gz KDKNYYRAAXNGJY-CQSZACIVSA-N 1 2 390.933 2.470 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC[N@H+]1CCOC ZINC000501145207 532736809 /nfs/dbraw/zinc/73/68/09/532736809.db2.gz KDKNYYRAAXNGJY-CQSZACIVSA-N 1 2 390.933 2.470 20 0 GEADLO O=C(CCc1cccc(F)c1Br)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614504597 532738984 /nfs/dbraw/zinc/73/89/84/532738984.db2.gz USTDOQOOFPQRHA-AWEZNQCLSA-N 1 2 384.293 2.027 20 0 GEADLO O=C(CCc1cccc(F)c1Br)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614504597 532738990 /nfs/dbraw/zinc/73/89/90/532738990.db2.gz USTDOQOOFPQRHA-AWEZNQCLSA-N 1 2 384.293 2.027 20 0 GEADLO O=C(CCc1cc(Br)ccc1F)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614503393 532739771 /nfs/dbraw/zinc/73/97/71/532739771.db2.gz OKHUWASJMTUODJ-HNNXBMFYSA-N 1 2 384.293 2.027 20 0 GEADLO O=C(CCc1cc(Br)ccc1F)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614503393 532739780 /nfs/dbraw/zinc/73/97/80/532739780.db2.gz OKHUWASJMTUODJ-HNNXBMFYSA-N 1 2 384.293 2.027 20 0 GEADLO CSc1ccc([C@@H](CNC(=O)C(C)(C)S(=O)(=O)C2CC2)[NH+](C)C)cc1 ZINC000581391981 532755516 /nfs/dbraw/zinc/75/55/16/532755516.db2.gz CNXQUQNFEYLPIU-MRXNPFEDSA-N 1 2 384.567 2.483 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1nnc2ccccn21)c1cccc(Br)c1 ZINC000581525405 532757216 /nfs/dbraw/zinc/75/72/16/532757216.db2.gz UKSRVZZRAHKWCK-UHFFFAOYSA-N 1 2 395.282 2.055 20 0 GEADLO C[C@@H]1CCN(c2ncnc3c2c(Br)nn3C)C[C@H]1n1cc[nH+]c1 ZINC000268250127 532758675 /nfs/dbraw/zinc/75/86/75/532758675.db2.gz JSGFAQPRGCMAAE-GHMZBOCLSA-N 1 2 376.262 2.410 20 0 GEADLO COc1ccc(CS(=O)(=O)Cc2c[nH+]cn2C)c(Br)c1OC ZINC000268249055 532758692 /nfs/dbraw/zinc/75/86/92/532758692.db2.gz YYRZPYLFIKBQOT-UHFFFAOYSA-N 1 2 389.271 2.315 20 0 GEADLO CC(=O)N1CCCC[C@@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000507774331 532759930 /nfs/dbraw/zinc/75/99/30/532759930.db2.gz XDKWERRXFYVXLX-CQSZACIVSA-N 1 2 379.258 2.114 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411407807 532760372 /nfs/dbraw/zinc/76/03/72/532760372.db2.gz NAOQITCSRIJQJJ-GXFFZTMASA-N 1 2 377.794 2.222 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411407807 532760373 /nfs/dbraw/zinc/76/03/73/532760373.db2.gz NAOQITCSRIJQJJ-GXFFZTMASA-N 1 2 377.794 2.222 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000507800675 532760493 /nfs/dbraw/zinc/76/04/93/532760493.db2.gz DSBLJCWQDATZPC-SWLSCSKDSA-N 1 2 397.317 2.101 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000507800675 532760499 /nfs/dbraw/zinc/76/04/99/532760499.db2.gz DSBLJCWQDATZPC-SWLSCSKDSA-N 1 2 397.317 2.101 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411407811 532760516 /nfs/dbraw/zinc/76/05/16/532760516.db2.gz NAOQITCSRIJQJJ-ZWNOBZJWSA-N 1 2 377.794 2.222 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411407811 532760521 /nfs/dbraw/zinc/76/05/21/532760521.db2.gz NAOQITCSRIJQJJ-ZWNOBZJWSA-N 1 2 377.794 2.222 20 0 GEADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1nnnn1-c1ccccc1Br ZINC000286685693 532761661 /nfs/dbraw/zinc/76/16/61/532761661.db2.gz VSNCDYYKJJXTOY-BVPNHYKMSA-N 1 2 390.285 2.280 20 0 GEADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1nnnn1-c1ccccc1Br ZINC000286685693 532761667 /nfs/dbraw/zinc/76/16/67/532761667.db2.gz VSNCDYYKJJXTOY-BVPNHYKMSA-N 1 2 390.285 2.280 20 0 GEADLO COc1c(Cl)cc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000267632012 532749068 /nfs/dbraw/zinc/74/90/68/532749068.db2.gz XKSLBFNWYWZEDV-GFCCVEGCSA-N 1 2 392.283 2.159 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1cc(Cl)ccc1C(F)(F)F ZINC000286488594 532751087 /nfs/dbraw/zinc/75/10/87/532751087.db2.gz QJJUDEDCFAZOFX-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1cc(Cl)ccc1C(F)(F)F ZINC000286488594 532751089 /nfs/dbraw/zinc/75/10/89/532751089.db2.gz QJJUDEDCFAZOFX-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO COc1ccc(S(=O)(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000580974166 532751623 /nfs/dbraw/zinc/75/16/23/532751623.db2.gz KAPKDOZXDGJACI-UHFFFAOYSA-N 1 2 389.949 2.043 20 0 GEADLO O=C(CC1CCOCC1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000580996075 532751925 /nfs/dbraw/zinc/75/19/25/532751925.db2.gz RHNMYTPWIJDNGV-UHFFFAOYSA-N 1 2 384.274 2.436 20 0 GEADLO C[C@H]1CN(C(=O)CCCC(=O)c2ccc(Br)cc2)CC[N@@H+]1CCO ZINC000506253349 532753071 /nfs/dbraw/zinc/75/30/71/532753071.db2.gz HYDXLXIMDVSJEJ-AWEZNQCLSA-N 1 2 397.313 2.327 20 0 GEADLO C[C@H]1CN(C(=O)CCCC(=O)c2ccc(Br)cc2)CC[N@H+]1CCO ZINC000506253349 532753073 /nfs/dbraw/zinc/75/30/73/532753073.db2.gz HYDXLXIMDVSJEJ-AWEZNQCLSA-N 1 2 397.313 2.327 20 0 GEADLO Cc1cc(Br)cnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000301540547 532753311 /nfs/dbraw/zinc/75/33/11/532753311.db2.gz NHEMXKYSMLWLEI-UHFFFAOYSA-N 1 2 381.318 2.287 20 0 GEADLO CC[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)c1nccs1 ZINC000542524598 532774757 /nfs/dbraw/zinc/77/47/57/532774757.db2.gz CVMXAAGMNQLLHP-LLVKDONJSA-N 1 2 388.902 2.123 20 0 GEADLO Cn1ncc2c1nc(N1CCO[C@@H](c3ccccc3Br)C1)[nH+]c2N ZINC000302875624 532775004 /nfs/dbraw/zinc/77/50/04/532775004.db2.gz FPUNBDKRPDLLJD-CYBMUJFWSA-N 1 2 389.257 2.286 20 0 GEADLO CN(C)C(=O)CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000508664174 532763576 /nfs/dbraw/zinc/76/35/76/532763576.db2.gz JHTYGWGBSZPMDY-UHFFFAOYSA-N 1 2 393.285 2.153 20 0 GEADLO COCCCNC(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000411530292 532765027 /nfs/dbraw/zinc/76/50/27/532765027.db2.gz HYFFXVCVXYPWLW-NSHDSACASA-N 1 2 397.273 2.302 20 0 GEADLO CC[C@@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000268468993 532765431 /nfs/dbraw/zinc/76/54/31/532765431.db2.gz PUYUNQPYYDJJPN-JKSUJKDBSA-N 1 2 397.361 2.315 20 0 GEADLO CC[C@@H](Cc1ccccc1Br)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000268468993 532765435 /nfs/dbraw/zinc/76/54/35/532765435.db2.gz PUYUNQPYYDJJPN-JKSUJKDBSA-N 1 2 397.361 2.315 20 0 GEADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1)c1ccc(Cl)cc1Cl ZINC000268502982 532767630 /nfs/dbraw/zinc/76/76/30/532767630.db2.gz XTPAFYSFVKCOIB-LMCGPQHNSA-N 1 2 388.295 2.134 20 0 GEADLO C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1)c1ccc(Cl)cc1Cl ZINC000268502982 532767633 /nfs/dbraw/zinc/76/76/33/532767633.db2.gz XTPAFYSFVKCOIB-LMCGPQHNSA-N 1 2 388.295 2.134 20 0 GEADLO Cn1nc(Br)c2c1ncnc2N1CCCN(c2cccc[nH+]2)CC1 ZINC000302206667 532769094 /nfs/dbraw/zinc/76/90/94/532769094.db2.gz DVEQVPZYDFWYEF-UHFFFAOYSA-N 1 2 388.273 2.238 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000509434560 532769404 /nfs/dbraw/zinc/76/94/04/532769404.db2.gz FEEDXWGUPMDFSY-CHWSQXEVSA-N 1 2 375.332 2.247 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000509434560 532769409 /nfs/dbraw/zinc/76/94/09/532769409.db2.gz FEEDXWGUPMDFSY-CHWSQXEVSA-N 1 2 375.332 2.247 20 0 GEADLO C[C@H](C[NH+]1CCCCCC1)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000302460396 532770380 /nfs/dbraw/zinc/77/03/80/532770380.db2.gz VDSUFZGMLCGSIB-CQSZACIVSA-N 1 2 388.555 2.170 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000510019239 532772516 /nfs/dbraw/zinc/77/25/16/532772516.db2.gz FPHDEHHDIOKGTA-VHSXEESVSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000510019239 532772520 /nfs/dbraw/zinc/77/25/20/532772520.db2.gz FPHDEHHDIOKGTA-VHSXEESVSA-N 1 2 395.308 2.493 20 0 GEADLO C[C@@H](c1ccccc1Br)[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411750455 532773916 /nfs/dbraw/zinc/77/39/16/532773916.db2.gz ZAZUHMSJGAEDRQ-ZDUSSCGKSA-N 1 2 390.347 2.324 20 0 GEADLO C[C@@H](c1ccccc1Br)[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411750455 532773922 /nfs/dbraw/zinc/77/39/22/532773922.db2.gz ZAZUHMSJGAEDRQ-ZDUSSCGKSA-N 1 2 390.347 2.324 20 0 GEADLO CS(=O)(=O)c1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)o1 ZINC000411762813 532774732 /nfs/dbraw/zinc/77/47/32/532774732.db2.gz XWKYBMPCJRAVIU-CYBMUJFWSA-N 1 2 392.246 2.408 20 0 GEADLO COc1ccc(C[C@H](CO)CNC(=O)CCn2cc[nH+]c2)cc1Br ZINC000456486036 532782142 /nfs/dbraw/zinc/78/21/42/532782142.db2.gz IGLVQURKCYIZNO-AWEZNQCLSA-N 1 2 396.285 2.012 20 0 GEADLO COc1ccc(C[C@@H](CO)CNC(=O)CCc2[nH]cc[nH+]2)cc1Br ZINC000456492793 532782221 /nfs/dbraw/zinc/78/22/21/532782221.db2.gz MPAGIIPRWZBVIE-CYBMUJFWSA-N 1 2 396.285 2.081 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000456496989 532782852 /nfs/dbraw/zinc/78/28/52/532782852.db2.gz YHNOXZDVHMEZAD-LBPRGKRZSA-N 1 2 398.276 2.222 20 0 GEADLO NC(=O)c1ccc(N2CC[NH+](Cc3cccc(Br)c3)CC2)nc1 ZINC000269573405 532783058 /nfs/dbraw/zinc/78/30/58/532783058.db2.gz BTVQTFMWVGRKQT-UHFFFAOYSA-N 1 2 375.270 2.265 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000545190829 532783850 /nfs/dbraw/zinc/78/38/50/532783850.db2.gz RVSMITMKRBPRHF-HOTGVXAUSA-N 1 2 387.933 2.161 20 0 GEADLO C[C@@H]1[C@H](CO)CCC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000412102586 532785553 /nfs/dbraw/zinc/78/55/53/532785553.db2.gz ZZOYUHBWZOTFAA-OLZOCXBDSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H]1[C@H](CO)CCC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000412102586 532785556 /nfs/dbraw/zinc/78/55/56/532785556.db2.gz ZZOYUHBWZOTFAA-OLZOCXBDSA-N 1 2 376.316 2.316 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)CNC(=O)C(C)(C)C)[nH+]c12 ZINC000546820059 532785928 /nfs/dbraw/zinc/78/59/28/532785928.db2.gz FIFKOMWUVLFTHQ-UHFFFAOYSA-N 1 2 381.274 2.184 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000270371729 532796772 /nfs/dbraw/zinc/79/67/72/532796772.db2.gz DCUGQVXOLJBEJR-INIZCTEOSA-N 1 2 384.929 2.171 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(F)c2Br)C1 ZINC000412357587 532789236 /nfs/dbraw/zinc/78/92/36/532789236.db2.gz OFGPDBATCGEWTB-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(F)c2Br)C1 ZINC000412357587 532789238 /nfs/dbraw/zinc/78/92/38/532789238.db2.gz OFGPDBATCGEWTB-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccsc2Br)C1 ZINC000412362017 532789381 /nfs/dbraw/zinc/78/93/81/532789381.db2.gz UCPHSROFEILACI-SNVBAGLBSA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccsc2Br)C1 ZINC000412362017 532789383 /nfs/dbraw/zinc/78/93/83/532789383.db2.gz UCPHSROFEILACI-SNVBAGLBSA-N 1 2 375.288 2.125 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000287280257 532790064 /nfs/dbraw/zinc/79/00/64/532790064.db2.gz RMTPQQGGWFXGEL-AWEZNQCLSA-N 1 2 392.301 2.365 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000287280257 532790069 /nfs/dbraw/zinc/79/00/69/532790069.db2.gz RMTPQQGGWFXGEL-AWEZNQCLSA-N 1 2 392.301 2.365 20 0 GEADLO CCN(C)S(=O)(=O)c1ccccc1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457318114 532790264 /nfs/dbraw/zinc/79/02/64/532790264.db2.gz SQCAPZFRJIFNNT-UHFFFAOYSA-N 1 2 382.511 2.097 20 0 GEADLO CC1(CC(F)(F)F)CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000457927353 532791844 /nfs/dbraw/zinc/79/18/44/532791844.db2.gz FLEHZRYDWYMFHX-HNNXBMFYSA-N 1 2 381.464 2.178 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000412438079 532792451 /nfs/dbraw/zinc/79/24/51/532792451.db2.gz SCUOKFZFQNCSKD-UHFFFAOYSA-N 1 2 389.265 2.007 20 0 GEADLO CNC(=O)c1cccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1Br ZINC000287391244 532793853 /nfs/dbraw/zinc/79/38/53/532793853.db2.gz LXXREVVVSJBSIO-JTQLQIEISA-N 1 2 380.246 2.215 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000412552017 532795064 /nfs/dbraw/zinc/79/50/64/532795064.db2.gz LUDGEVXXGLXMGE-UHFFFAOYSA-N 1 2 391.295 2.178 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000287432360 532795450 /nfs/dbraw/zinc/79/54/50/532795450.db2.gz QSEDYZNKINETSY-BBRMVZONSA-N 1 2 394.313 2.197 20 0 GEADLO C[C@H]1CC[N@H+](CC(=O)NCc2cccs2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000287450458 532796335 /nfs/dbraw/zinc/79/63/35/532796335.db2.gz QOYASYOFFVWIDC-MJVIPROJSA-N 1 2 377.432 2.142 20 0 GEADLO C[C@H]1CC[N@@H+](CC(=O)NCc2cccs2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000287450458 532796337 /nfs/dbraw/zinc/79/63/37/532796337.db2.gz QOYASYOFFVWIDC-MJVIPROJSA-N 1 2 377.432 2.142 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000269427145 532781466 /nfs/dbraw/zinc/78/14/66/532781466.db2.gz JLZTWXXPZZBARA-LLVKDONJSA-N 1 2 375.698 2.470 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000269427145 532781469 /nfs/dbraw/zinc/78/14/69/532781469.db2.gz JLZTWXXPZZBARA-LLVKDONJSA-N 1 2 375.698 2.470 20 0 GEADLO O=C(c1nccn2c(Br)cnc12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271228452 532805430 /nfs/dbraw/zinc/80/54/30/532805430.db2.gz FDLUEIBDKYRCGP-JTQLQIEISA-N 1 2 375.230 2.235 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000329356195 532806538 /nfs/dbraw/zinc/80/65/38/532806538.db2.gz GWOUNLYKQVYWPZ-LYRGGWFBSA-N 1 2 375.897 2.401 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000329356195 532806541 /nfs/dbraw/zinc/80/65/41/532806541.db2.gz GWOUNLYKQVYWPZ-LYRGGWFBSA-N 1 2 375.897 2.401 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000554954217 532807170 /nfs/dbraw/zinc/80/71/70/532807170.db2.gz KJLDBVSHSSTOJW-CHWSQXEVSA-N 1 2 380.432 2.401 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](CC[S@](=O)c3cc(Cl)ccc3Cl)C[C@@H]12 ZINC000329468475 532807372 /nfs/dbraw/zinc/80/73/72/532807372.db2.gz XJFSXJJVDPHVSD-RULNZOCKSA-N 1 2 376.265 2.177 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](CC[S@](=O)c3cc(Cl)ccc3Cl)C[C@@H]12 ZINC000329468475 532807375 /nfs/dbraw/zinc/80/73/75/532807375.db2.gz XJFSXJJVDPHVSD-RULNZOCKSA-N 1 2 376.265 2.177 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1CF)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000555685152 532808991 /nfs/dbraw/zinc/80/89/91/532808991.db2.gz CMFGYXKRMGPXHA-ZDUSSCGKSA-N 1 2 375.275 2.471 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1CF)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000555685152 532808993 /nfs/dbraw/zinc/80/89/93/532808993.db2.gz CMFGYXKRMGPXHA-ZDUSSCGKSA-N 1 2 375.275 2.471 20 0 GEADLO C[C@@H](O)[C@H]1CCN(c2cc(NCCCn3cc(Br)cn3)[nH+]cn2)C1 ZINC000413300045 532809091 /nfs/dbraw/zinc/80/90/91/532809091.db2.gz MRNPGLYEJXABRA-OLZOCXBDSA-N 1 2 395.305 2.145 20 0 GEADLO C[C@@H](O)[C@H]1CCN(c2cc(NCCCn3cc(Br)cn3)nc[nH+]2)C1 ZINC000413300045 532809093 /nfs/dbraw/zinc/80/90/93/532809093.db2.gz MRNPGLYEJXABRA-OLZOCXBDSA-N 1 2 395.305 2.145 20 0 GEADLO C[C@@H](O)CNc1cc(NCCC(=O)Nc2cc(Cl)cc(Cl)c2)[nH+]cn1 ZINC000413298860 532809342 /nfs/dbraw/zinc/80/93/42/532809342.db2.gz NHSYEMAWNHPOTF-SNVBAGLBSA-N 1 2 384.267 3.017 20 0 GEADLO C[C@@H](O)CNc1cc(NCCC(=O)Nc2cc(Cl)cc(Cl)c2)nc[nH+]1 ZINC000413298860 532809345 /nfs/dbraw/zinc/80/93/45/532809345.db2.gz NHSYEMAWNHPOTF-SNVBAGLBSA-N 1 2 384.267 3.017 20 0 GEADLO O=C(NCc1cn2ccccc2[nH+]1)C(=O)NCc1cc(Br)cs1 ZINC000555714427 532809616 /nfs/dbraw/zinc/80/96/16/532809616.db2.gz RIRPMBOVMOUCOH-UHFFFAOYSA-N 1 2 393.266 2.091 20 0 GEADLO COC(=O)c1sccc1N1C(=O)C[C@H]([N@H+](C)Cc2cnc(C)s2)C1=O ZINC000270653545 532801200 /nfs/dbraw/zinc/80/12/00/532801200.db2.gz MJZBXTDXPUZMRC-LBPRGKRZSA-N 1 2 379.463 2.064 20 0 GEADLO COC(=O)c1sccc1N1C(=O)C[C@H]([N@@H+](C)Cc2cnc(C)s2)C1=O ZINC000270653545 532801203 /nfs/dbraw/zinc/80/12/03/532801203.db2.gz MJZBXTDXPUZMRC-LBPRGKRZSA-N 1 2 379.463 2.064 20 0 GEADLO COC(=O)c1sccc1N1C(=O)C[C@@H]([N@H+](C)Cc2cnc(C)s2)C1=O ZINC000270653544 532801277 /nfs/dbraw/zinc/80/12/77/532801277.db2.gz MJZBXTDXPUZMRC-GFCCVEGCSA-N 1 2 379.463 2.064 20 0 GEADLO COC(=O)c1sccc1N1C(=O)C[C@@H]([N@@H+](C)Cc2cnc(C)s2)C1=O ZINC000270653544 532801280 /nfs/dbraw/zinc/80/12/80/532801280.db2.gz MJZBXTDXPUZMRC-GFCCVEGCSA-N 1 2 379.463 2.064 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000556655634 532811281 /nfs/dbraw/zinc/81/12/81/532811281.db2.gz SABWCWRAZXCSSI-UHFFFAOYSA-N 1 2 393.285 2.201 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cccc(Br)n2)CC1 ZINC000272398363 532815030 /nfs/dbraw/zinc/81/50/30/532815030.db2.gz IPGHNBWSKVPPEQ-UHFFFAOYSA-N 1 2 376.320 2.090 20 0 GEADLO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000330157381 532815158 /nfs/dbraw/zinc/81/51/58/532815158.db2.gz ZHNQWJJJLSXTLV-UHFFFAOYSA-N 1 2 383.905 2.016 20 0 GEADLO COC(=O)c1ncoc1CCC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000413838053 532815457 /nfs/dbraw/zinc/81/54/57/532815457.db2.gz BJEHJGOOEKQBSR-UHFFFAOYSA-N 1 2 397.229 2.256 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413967051 532816239 /nfs/dbraw/zinc/81/62/39/532816239.db2.gz NZWAPSTZUKDSEV-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccccc1Br ZINC000288070512 532816847 /nfs/dbraw/zinc/81/68/47/532816847.db2.gz JHOKUCIYNJHRQI-DZGCQCFKSA-N 1 2 382.302 2.454 20 0 GEADLO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000330501133 532819676 /nfs/dbraw/zinc/81/96/76/532819676.db2.gz ABCDHYSRXZJLGX-UHFFFAOYSA-N 1 2 377.913 2.174 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCc3cnn(C)c3)[nH+]c12 ZINC000273248388 532821313 /nfs/dbraw/zinc/82/13/13/532821313.db2.gz GWSXRAVHAIHQSB-UHFFFAOYSA-N 1 2 391.273 2.181 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCOC[C@H]3C)[nH+]c12 ZINC000273335116 532822643 /nfs/dbraw/zinc/82/26/43/532822643.db2.gz NFSVNTQQFSIUHJ-GFCCVEGCSA-N 1 2 381.274 2.378 20 0 GEADLO CN(C1CC[NH+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1)S(C)(=O)=O ZINC000330639790 532823179 /nfs/dbraw/zinc/82/31/79/532823179.db2.gz DNXAPHWOEFNVIT-UHFFFAOYSA-N 1 2 384.889 2.246 20 0 GEADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@@H](C)O1 ZINC000330666833 532824260 /nfs/dbraw/zinc/82/42/60/532824260.db2.gz IIOCGVWJRZOTQF-GHMZBOCLSA-N 1 2 382.860 2.396 20 0 GEADLO Cc1cc(Br)cn2cc(CNS(=O)(=O)CCOC(C)C)[nH+]c12 ZINC000273570147 532826818 /nfs/dbraw/zinc/82/68/18/532826818.db2.gz GJNAXCPOHHMDNB-UHFFFAOYSA-N 1 2 390.303 2.250 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)c3nncn3C)[nH+]c12 ZINC000273527239 532825762 /nfs/dbraw/zinc/82/57/62/532825762.db2.gz YGKDSTGDVTXMNG-SNVBAGLBSA-N 1 2 392.261 2.094 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3CCOC3)[nH+]c12 ZINC000273440245 532824163 /nfs/dbraw/zinc/82/41/63/532824163.db2.gz WCQGCEHIVDRWNF-LBPRGKRZSA-N 1 2 381.274 2.283 20 0 GEADLO CCNC(=O)CCCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273431102 532824171 /nfs/dbraw/zinc/82/41/71/532824171.db2.gz VRLVGNNOBMAIJS-UHFFFAOYSA-N 1 2 395.301 2.370 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N(C)CC(C)(C)O)[nH+]c12 ZINC000273593493 532827586 /nfs/dbraw/zinc/82/75/86/532827586.db2.gz UPIIYZYZBLLSMN-UHFFFAOYSA-N 1 2 383.290 2.360 20 0 GEADLO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000414456959 532828366 /nfs/dbraw/zinc/82/83/66/532828366.db2.gz KIDDNMURIHPKGF-NSHDSACASA-N 1 2 385.873 2.246 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000330907318 532830042 /nfs/dbraw/zinc/83/00/42/532830042.db2.gz SRAOFUSOJHKMEQ-NEPJUHHUSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000330907318 532830043 /nfs/dbraw/zinc/83/00/43/532830043.db2.gz SRAOFUSOJHKMEQ-NEPJUHHUSA-N 1 2 382.309 2.242 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000330881233 532828915 /nfs/dbraw/zinc/82/89/15/532828915.db2.gz YZYSWLZDEWUPOW-NEPJUHHUSA-N 1 2 389.315 2.143 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000330881233 532828916 /nfs/dbraw/zinc/82/89/16/532828916.db2.gz YZYSWLZDEWUPOW-NEPJUHHUSA-N 1 2 389.315 2.143 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)Cn1cc[nH+]c1 ZINC000414462526 532829012 /nfs/dbraw/zinc/82/90/12/532829012.db2.gz FNKQWTYCUWIHFQ-SNVBAGLBSA-N 1 2 376.251 2.399 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1F)Cn1cc[nH+]c1 ZINC000414468171 532829548 /nfs/dbraw/zinc/82/95/48/532829548.db2.gz JUMYLDPPWJJELF-JTQLQIEISA-N 1 2 376.251 2.399 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc(Br)c1OC(F)F ZINC000414561639 532832295 /nfs/dbraw/zinc/83/22/95/532832295.db2.gz SSZJTXWBWKGDBR-PWSUYJOCSA-N 1 2 396.228 2.234 20 0 GEADLO COc1cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)cc(Br)c1OC(F)F ZINC000414561639 532832296 /nfs/dbraw/zinc/83/22/96/532832296.db2.gz SSZJTXWBWKGDBR-PWSUYJOCSA-N 1 2 396.228 2.234 20 0 GEADLO CCCOc1c(Br)cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1OC ZINC000414560177 532832495 /nfs/dbraw/zinc/83/24/95/532832495.db2.gz QBSFZLBQXSBYLA-ZFWWWQNUSA-N 1 2 388.302 2.422 20 0 GEADLO CCCOc1c(Br)cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)cc1OC ZINC000414560177 532832498 /nfs/dbraw/zinc/83/24/98/532832498.db2.gz QBSFZLBQXSBYLA-ZFWWWQNUSA-N 1 2 388.302 2.422 20 0 GEADLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Br)cc(Br)c1N ZINC000414497034 532830884 /nfs/dbraw/zinc/83/08/84/532830884.db2.gz ZXAJVADYQWEGHL-QWRGUYRKSA-N 1 2 394.107 2.375 20 0 GEADLO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Br)cc(Br)c1N ZINC000414497034 532830888 /nfs/dbraw/zinc/83/08/88/532830888.db2.gz ZXAJVADYQWEGHL-QWRGUYRKSA-N 1 2 394.107 2.375 20 0 GEADLO CCn1ccc(C[NH2+]Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)n1 ZINC000414483977 532831002 /nfs/dbraw/zinc/83/10/02/532831002.db2.gz PEXNWMWIEAZOGG-GFCCVEGCSA-N 1 2 395.301 2.469 20 0 GEADLO CN(C)C(=O)[C@H]1CC[N@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000414496479 532831064 /nfs/dbraw/zinc/83/10/64/532831064.db2.gz IKAAXLGWOUAEIU-VIFPVBQESA-N 1 2 394.203 2.480 20 0 GEADLO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000414496479 532831066 /nfs/dbraw/zinc/83/10/66/532831066.db2.gz IKAAXLGWOUAEIU-VIFPVBQESA-N 1 2 394.203 2.480 20 0 GEADLO Cc1cc(CN2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)sc1Br ZINC000331225816 532836276 /nfs/dbraw/zinc/83/62/76/532836276.db2.gz FEXBFTMRVAKXEH-LLVKDONJSA-N 1 2 376.320 2.487 20 0 GEADLO Cc1cc(CN2CCO[C@H](C[N@H+](C)CC(N)=O)C2)sc1Br ZINC000331225816 532836278 /nfs/dbraw/zinc/83/62/78/532836278.db2.gz FEXBFTMRVAKXEH-LLVKDONJSA-N 1 2 376.320 2.487 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@@H](C)C1 ZINC000331219059 532836450 /nfs/dbraw/zinc/83/64/50/532836450.db2.gz IFHFWGDIAWMTDH-VHSXEESVSA-N 1 2 385.288 2.208 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@@H](C)C1 ZINC000331219059 532836451 /nfs/dbraw/zinc/83/64/51/532836451.db2.gz IFHFWGDIAWMTDH-VHSXEESVSA-N 1 2 385.288 2.208 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2N[C@H]1COc2ccccc2[C@H]1O ZINC000288819122 532839118 /nfs/dbraw/zinc/83/91/18/532839118.db2.gz HJKDSNYYIGBFHW-JOYOIKCWSA-N 1 2 376.214 2.032 20 0 GEADLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cc(C(=O)OC)ccc3F)sc2C1 ZINC000359942218 209205144 /nfs/dbraw/zinc/20/51/44/209205144.db2.gz RKHAZPPDLFGUJJ-UHFFFAOYSA-N 1 2 399.469 2.248 20 0 GEADLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cc(C(=O)OC)ccc3F)sc2C1 ZINC000359942218 209205147 /nfs/dbraw/zinc/20/51/47/209205147.db2.gz RKHAZPPDLFGUJJ-UHFFFAOYSA-N 1 2 399.469 2.248 20 0 GEADLO Cc1csc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)CC2)n1 ZINC000048008393 212057705 /nfs/dbraw/zinc/05/77/05/212057705.db2.gz VXMBEXBEYWCWLB-AWEZNQCLSA-N 1 2 388.493 2.372 20 0 GEADLO COc1cc(F)c(S(=O)(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1OC ZINC000328634238 209151155 /nfs/dbraw/zinc/15/11/55/209151155.db2.gz TWDZDRMKZLIJBX-UHFFFAOYSA-N 1 2 383.445 2.196 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c(C)c1F ZINC000328634256 209150016 /nfs/dbraw/zinc/15/00/16/209150016.db2.gz TXHKPAUMEADJHI-SWLSCSKDSA-N 1 2 383.445 2.075 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](O)C3(C)C)[nH+]c12 ZINC000331873726 532846167 /nfs/dbraw/zinc/84/61/67/532846167.db2.gz YNSWERYBKFQVLP-CYBMUJFWSA-N 1 2 381.274 2.460 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N(C)Cc3cnn(C)c3)[nH+]c12 ZINC000274260369 532846410 /nfs/dbraw/zinc/84/64/10/532846410.db2.gz VCFJIAOEXUSTPT-UHFFFAOYSA-N 1 2 391.273 2.480 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CCC[C@H]3O)[nH+]c12 ZINC000274262379 532846691 /nfs/dbraw/zinc/84/66/91/532846691.db2.gz VPFHQNVYQNAEBR-SMDDNHRTSA-N 1 2 381.274 2.365 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H](O)C(F)(F)F)[nH+]c12 ZINC000274258901 532846371 /nfs/dbraw/zinc/84/63/71/532846371.db2.gz UWBBMSUSWYEVEV-JTQLQIEISA-N 1 2 395.179 2.128 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000332088870 532849019 /nfs/dbraw/zinc/84/90/19/532849019.db2.gz UHLOEDANSGMFKD-JTQLQIEISA-N 1 2 388.262 2.500 20 0 GEADLO CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000289272354 532851851 /nfs/dbraw/zinc/85/18/51/532851851.db2.gz ZRIVVWYKXVWMMS-MNOVXSKESA-N 1 2 383.392 2.151 20 0 GEADLO CN(C)c1nc(N)nc(C[NH+]2CCC(c3ccc(Br)cc3)CC2)n1 ZINC000332380849 532853491 /nfs/dbraw/zinc/85/34/91/532853491.db2.gz GTXBCHOQJXYINM-UHFFFAOYSA-N 1 2 391.317 2.662 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)c1nc2ccccc2cc1Br ZINC000289505956 532856798 /nfs/dbraw/zinc/85/67/98/532856798.db2.gz CTGNUVRVBRYSMO-UHFFFAOYSA-N 1 2 378.270 2.402 20 0 GEADLO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000289537484 532858167 /nfs/dbraw/zinc/85/81/67/532858167.db2.gz QWTAAIAUVXUUGT-ZDUSSCGKSA-N 1 2 386.495 2.326 20 0 GEADLO Cc1c(S(=O)(=O)N2CCn3c[nH+]cc3C2)cnn1-c1ccc(Cl)cc1 ZINC000289555349 532858271 /nfs/dbraw/zinc/85/82/71/532858271.db2.gz NGWUGHLJSMQUSD-UHFFFAOYSA-N 1 2 377.857 2.235 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289552489 532858529 /nfs/dbraw/zinc/85/85/29/532858529.db2.gz XGQWGTNVMDAQEU-QWRGUYRKSA-N 1 2 394.273 2.067 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289552489 532858532 /nfs/dbraw/zinc/85/85/32/532858532.db2.gz XGQWGTNVMDAQEU-QWRGUYRKSA-N 1 2 394.273 2.067 20 0 GEADLO CC[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)C[C@H](O)C(F)(F)F ZINC000275069678 532862920 /nfs/dbraw/zinc/86/29/20/532862920.db2.gz VFGFVOVTLJGEGV-NSHDSACASA-N 1 2 376.297 2.416 20 0 GEADLO CC[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)C[C@H](O)C(F)(F)F ZINC000275069678 532862918 /nfs/dbraw/zinc/86/29/18/532862918.db2.gz VFGFVOVTLJGEGV-NSHDSACASA-N 1 2 376.297 2.416 20 0 GEADLO COCCOCC(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000416022551 532862911 /nfs/dbraw/zinc/86/29/11/532862911.db2.gz BSPUIHKKJOHUPW-UHFFFAOYSA-N 1 2 397.273 2.127 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)Nc1ccc(F)cc1Cl ZINC000275128272 532865341 /nfs/dbraw/zinc/86/53/41/532865341.db2.gz ROCDUJDZSNLXGC-SECBINFHSA-N 1 2 381.757 2.418 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)Nc1ccc(F)cc1Cl ZINC000275128272 532865343 /nfs/dbraw/zinc/86/53/43/532865343.db2.gz ROCDUJDZSNLXGC-SECBINFHSA-N 1 2 381.757 2.418 20 0 GEADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000333160712 532865376 /nfs/dbraw/zinc/86/53/76/532865376.db2.gz NNIZZRZDJXXTNW-QWHCGFSZSA-N 1 2 382.511 2.359 20 0 GEADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000333160712 532865378 /nfs/dbraw/zinc/86/53/78/532865378.db2.gz NNIZZRZDJXXTNW-QWHCGFSZSA-N 1 2 382.511 2.359 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000333479480 532869293 /nfs/dbraw/zinc/86/92/93/532869293.db2.gz HBEFPOJPCGVHNU-VCTAVGKDSA-N 1 2 382.258 2.044 20 0 GEADLO C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333520826 532869759 /nfs/dbraw/zinc/86/97/59/532869759.db2.gz NWMFIYIXCMDQPF-NWDGAFQWSA-N 1 2 384.274 2.434 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@@H]1C[C@]12CCOC2 ZINC000333537439 532870717 /nfs/dbraw/zinc/87/07/17/532870717.db2.gz RHTLBRLJLWBMAQ-ZBEGNZNMSA-N 1 2 382.258 2.046 20 0 GEADLO CN(C)c1cc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)[nH+]cc1Br ZINC000333693959 532872106 /nfs/dbraw/zinc/87/21/06/532872106.db2.gz QTOAKJWIZATUJP-RYUDHWBXSA-N 1 2 396.289 2.185 20 0 GEADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000416457259 532877864 /nfs/dbraw/zinc/87/78/64/532877864.db2.gz XPAQMTRJLMMUNO-UHFFFAOYSA-N 1 2 385.873 2.458 20 0 GEADLO C[C@H]1CCN(C(=O)NCc2nn(C)cc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000334073326 532877927 /nfs/dbraw/zinc/87/79/27/532877927.db2.gz IPBNAPIGZWMCOO-FZMZJTMJSA-N 1 2 381.278 2.172 20 0 GEADLO COCC[N@H+](Cc1ccc(C)c(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000275548049 532878610 /nfs/dbraw/zinc/87/86/10/532878610.db2.gz BMOMKWSMTGAHSU-AWEZNQCLSA-N 1 2 376.316 2.393 20 0 GEADLO COCC[N@@H+](Cc1ccc(C)c(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000275548049 532878611 /nfs/dbraw/zinc/87/86/11/532878611.db2.gz BMOMKWSMTGAHSU-AWEZNQCLSA-N 1 2 376.316 2.393 20 0 GEADLO CS[C@@H]1CN(c2cc(C(C)=O)ccc2S(C)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000275511095 532877263 /nfs/dbraw/zinc/87/72/63/532877263.db2.gz UYHJGMUSNFGFPI-IAGOWNOFSA-N 1 2 382.551 2.309 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(Cl)ncc1Br ZINC000290473964 532881691 /nfs/dbraw/zinc/88/16/91/532881691.db2.gz NIWRSAPNSSTUKB-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(Cl)ncc1Br ZINC000290473964 532881694 /nfs/dbraw/zinc/88/16/94/532881694.db2.gz NIWRSAPNSSTUKB-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO CCOc1c(Cl)cc(C[N@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000290440647 532880849 /nfs/dbraw/zinc/88/08/49/532880849.db2.gz LUQDIDJPGCDDJL-CQSZACIVSA-N 1 2 391.917 2.383 20 0 GEADLO CCOc1c(Cl)cc(C[N@@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000290440647 532880852 /nfs/dbraw/zinc/88/08/52/532880852.db2.gz LUQDIDJPGCDDJL-CQSZACIVSA-N 1 2 391.917 2.383 20 0 GEADLO C[C@H](NC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1nccs1 ZINC000420872755 532886886 /nfs/dbraw/zinc/88/68/86/532886886.db2.gz GRCPQKQUNOSWNA-SMDDNHRTSA-N 1 2 380.901 2.393 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000420951364 532887618 /nfs/dbraw/zinc/88/76/18/532887618.db2.gz QSCTVAAYMVQMEF-IHRRRGAJSA-N 1 2 384.464 2.075 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H](CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000420951364 532887619 /nfs/dbraw/zinc/88/76/19/532887619.db2.gz QSCTVAAYMVQMEF-IHRRRGAJSA-N 1 2 384.464 2.075 20 0 GEADLO O=C(NCc1noc(CCn2cc[nH+]c2)n1)c1ccc(Br)cc1 ZINC000350356720 532884959 /nfs/dbraw/zinc/88/49/59/532884959.db2.gz NSSBVBJCKJFLQM-UHFFFAOYSA-N 1 2 376.214 2.201 20 0 GEADLO Cn1ncc2c1nc(N1CCO[C@H](c3ccc(Br)cc3)C1)[nH+]c2N ZINC000276143964 532889600 /nfs/dbraw/zinc/88/96/00/532889600.db2.gz IKHQHGLGGYVHGA-ZDUSSCGKSA-N 1 2 389.257 2.286 20 0 GEADLO COCCOCCOCC[N@H+](C)Cc1cc(O)c(OC)cc1Br ZINC000276120279 532889080 /nfs/dbraw/zinc/88/90/80/532889080.db2.gz BDNKSCDPQRSCSY-UHFFFAOYSA-N 1 2 392.290 2.275 20 0 GEADLO COCCOCCOCC[N@@H+](C)Cc1cc(O)c(OC)cc1Br ZINC000276120279 532889081 /nfs/dbraw/zinc/88/90/81/532889081.db2.gz BDNKSCDPQRSCSY-UHFFFAOYSA-N 1 2 392.290 2.275 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000290890573 532891458 /nfs/dbraw/zinc/89/14/58/532891458.db2.gz MYTPKXSDEBECLZ-SNVBAGLBSA-N 1 2 382.814 2.043 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000361189855 532892668 /nfs/dbraw/zinc/89/26/68/532892668.db2.gz SODWBNRWONISCS-MRXNPFEDSA-N 1 2 385.555 2.362 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000361189855 532892671 /nfs/dbraw/zinc/89/26/71/532892671.db2.gz SODWBNRWONISCS-MRXNPFEDSA-N 1 2 385.555 2.362 20 0 GEADLO Cc1c(Cl)c(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)nn1C ZINC000421320385 532890371 /nfs/dbraw/zinc/89/03/71/532890371.db2.gz BZDKZDHTODABFI-UHFFFAOYSA-N 1 2 377.297 2.103 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000276172376 532890420 /nfs/dbraw/zinc/89/04/20/532890420.db2.gz UCABCVPNDLCWOJ-UHFFFAOYSA-N 1 2 380.432 2.156 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1c(Br)cncc1Br ZINC000290915287 532892900 /nfs/dbraw/zinc/89/29/00/532892900.db2.gz PTVOGVVEHQPRCW-ZETCQYMHSA-N 1 2 386.109 2.129 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[S@](=O)Cc2cn3ccccc3[nH+]2)s1 ZINC000424602221 532895712 /nfs/dbraw/zinc/89/57/12/532895712.db2.gz LOTVEBRFVALWJG-HSZRJFAPSA-N 1 2 383.520 2.095 20 0 GEADLO Cc1cccn2cc(C[S@](=O)Cc3ccc(S(=O)(=O)N(C)C)s3)[nH+]c12 ZINC000424604478 532896029 /nfs/dbraw/zinc/89/60/29/532896029.db2.gz NNSXSFWQKALWAP-DEOSSOPVSA-N 1 2 397.547 2.403 20 0 GEADLO COc1cccc(S(O)=CC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000424896541 532897322 /nfs/dbraw/zinc/89/73/22/532897322.db2.gz RBVGSIWNGSSPLV-VWLOTQADSA-N 1 2 380.535 2.455 20 0 GEADLO C[N@@H+]1CCC[C@H](CNC(=O)NCCS(C)(=O)=O)[C@H]1c1cccc(Cl)c1 ZINC000363247030 532897767 /nfs/dbraw/zinc/89/77/67/532897767.db2.gz HJEALXAZBVVEPV-GDBMZVCRSA-N 1 2 387.933 2.067 20 0 GEADLO C[N@H+]1CCC[C@H](CNC(=O)NCCS(C)(=O)=O)[C@H]1c1cccc(Cl)c1 ZINC000363247030 532897769 /nfs/dbraw/zinc/89/77/69/532897769.db2.gz HJEALXAZBVVEPV-GDBMZVCRSA-N 1 2 387.933 2.067 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)COC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000363693442 532900250 /nfs/dbraw/zinc/90/02/50/532900250.db2.gz YTBBYELFJLPZSR-FSBGKCOPSA-N 1 2 380.432 2.194 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)COC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000363693442 532900253 /nfs/dbraw/zinc/90/02/53/532900253.db2.gz YTBBYELFJLPZSR-FSBGKCOPSA-N 1 2 380.432 2.194 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000363667021 532900258 /nfs/dbraw/zinc/90/02/58/532900258.db2.gz ZTGQUFLIVFYXTQ-UHFFFAOYSA-N 1 2 378.885 2.097 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000363667021 532900260 /nfs/dbraw/zinc/90/02/60/532900260.db2.gz ZTGQUFLIVFYXTQ-UHFFFAOYSA-N 1 2 378.885 2.097 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1cccc(Cl)c1Br ZINC000276861242 532902228 /nfs/dbraw/zinc/90/22/28/532902228.db2.gz BEUZQDJVRSMILG-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1cccc(Cl)c1Br ZINC000276861242 532902231 /nfs/dbraw/zinc/90/22/31/532902231.db2.gz BEUZQDJVRSMILG-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H](C)[C@H](CO)C3)[nH+]c12 ZINC000276929165 532903541 /nfs/dbraw/zinc/90/35/41/532903541.db2.gz ZBGVAUFAFRGGMP-OLZOCXBDSA-N 1 2 395.301 2.218 20 0 GEADLO Cn1ncc2c1nc[nH+]c2NC[C@@H](CO)Cc1ccccc1Br ZINC000276977069 532905179 /nfs/dbraw/zinc/90/51/79/532905179.db2.gz FCYMGYJEOQULHZ-NSHDSACASA-N 1 2 376.258 2.389 20 0 GEADLO Cc1nn(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1Br ZINC000291670850 532906805 /nfs/dbraw/zinc/90/68/05/532906805.db2.gz WFTOXSLPFKJNOE-JTQLQIEISA-N 1 2 397.239 2.382 20 0 GEADLO Cc1nn(C)c(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1Br ZINC000291670850 532906807 /nfs/dbraw/zinc/90/68/07/532906807.db2.gz WFTOXSLPFKJNOE-JTQLQIEISA-N 1 2 397.239 2.382 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1nc(C2CC2)ncc1Br ZINC000291786390 532908641 /nfs/dbraw/zinc/90/86/41/532908641.db2.gz PFFZMKLDSCWXPV-UHFFFAOYSA-N 1 2 397.317 2.299 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1nc(C2CC2)ncc1Br ZINC000291786390 532908642 /nfs/dbraw/zinc/90/86/42/532908642.db2.gz PFFZMKLDSCWXPV-UHFFFAOYSA-N 1 2 397.317 2.299 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c(Cl)c1Cl ZINC000365611773 532911427 /nfs/dbraw/zinc/91/14/27/532911427.db2.gz PJKOTCLBDSKRJB-NSHDSACASA-N 1 2 395.308 2.144 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c(Cl)c1Cl ZINC000365611773 532911429 /nfs/dbraw/zinc/91/14/29/532911429.db2.gz PJKOTCLBDSKRJB-NSHDSACASA-N 1 2 395.308 2.144 20 0 GEADLO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000292323380 532915344 /nfs/dbraw/zinc/91/53/44/532915344.db2.gz CAJVOMRPOZKULR-HZMBPMFUSA-N 1 2 388.281 2.257 20 0 GEADLO C[C@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc(Br)cn1 ZINC000366277617 532915809 /nfs/dbraw/zinc/91/58/09/532915809.db2.gz HUPPBYXCQSXZEP-FZMZJTMJSA-N 1 2 383.290 2.068 20 0 GEADLO C[C@H](NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc(Br)cn1 ZINC000366277617 532915810 /nfs/dbraw/zinc/91/58/10/532915810.db2.gz HUPPBYXCQSXZEP-FZMZJTMJSA-N 1 2 383.290 2.068 20 0 GEADLO Cc1nn(C)c(C[N@H+](C)C2CCN(c3ncccn3)CC2)c1Br ZINC000365951975 532913495 /nfs/dbraw/zinc/91/34/95/532913495.db2.gz AOWJTZFOVUWSKD-UHFFFAOYSA-N 1 2 379.306 2.382 20 0 GEADLO Cc1nn(C)c(C[N@@H+](C)C2CCN(c3ncccn3)CC2)c1Br ZINC000365951975 532913496 /nfs/dbraw/zinc/91/34/96/532913496.db2.gz AOWJTZFOVUWSKD-UHFFFAOYSA-N 1 2 379.306 2.382 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000292202460 532914059 /nfs/dbraw/zinc/91/40/59/532914059.db2.gz SIWVCADDXHNOOM-OAHLLOKOSA-N 1 2 376.316 2.239 20 0 GEADLO Cc1nc(C[N@@H+]2CCCN(S(N)(=O)=O)CC2)oc1-c1ccc(Cl)cc1 ZINC000366102411 532914500 /nfs/dbraw/zinc/91/45/00/532914500.db2.gz NSLIWEBUDPEJTO-UHFFFAOYSA-N 1 2 384.889 2.015 20 0 GEADLO Cc1nc(C[N@H+]2CCCN(S(N)(=O)=O)CC2)oc1-c1ccc(Cl)cc1 ZINC000366102411 532914501 /nfs/dbraw/zinc/91/45/01/532914501.db2.gz NSLIWEBUDPEJTO-UHFFFAOYSA-N 1 2 384.889 2.015 20 0 GEADLO Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC(CS(C)(=O)=O)CC2)c1 ZINC000292249693 532914604 /nfs/dbraw/zinc/91/46/04/532914604.db2.gz XPQLUNBDNDHQCM-HNNXBMFYSA-N 1 2 375.918 2.145 20 0 GEADLO COc1cc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)ccc1Br ZINC000366591730 532919036 /nfs/dbraw/zinc/91/90/36/532919036.db2.gz LNXGFMUPCHIORS-CYBMUJFWSA-N 1 2 384.274 2.442 20 0 GEADLO COc1cc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)ccc1Br ZINC000366591730 532919037 /nfs/dbraw/zinc/91/90/37/532919037.db2.gz LNXGFMUPCHIORS-CYBMUJFWSA-N 1 2 384.274 2.442 20 0 GEADLO CN(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366464585 532917553 /nfs/dbraw/zinc/91/75/53/532917553.db2.gz UYLLXVINZXITLW-MRXNPFEDSA-N 1 2 382.302 2.454 20 0 GEADLO CN(Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366464585 532917554 /nfs/dbraw/zinc/91/75/54/532917554.db2.gz UYLLXVINZXITLW-MRXNPFEDSA-N 1 2 382.302 2.454 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1)Nc1cc(Cl)ccc1Cl ZINC000293099243 532921924 /nfs/dbraw/zinc/92/19/24/532921924.db2.gz XORJMDKHJIGENE-CYBMUJFWSA-N 1 2 384.267 2.353 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1)Nc1cc(Cl)ccc1Cl ZINC000293099243 532921926 /nfs/dbraw/zinc/92/19/26/532921926.db2.gz XORJMDKHJIGENE-CYBMUJFWSA-N 1 2 384.267 2.353 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000366658475 532920093 /nfs/dbraw/zinc/92/00/93/532920093.db2.gz UFBQNKAANASGJG-OLZOCXBDSA-N 1 2 378.274 2.283 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000366658475 532920094 /nfs/dbraw/zinc/92/00/94/532920094.db2.gz UFBQNKAANASGJG-OLZOCXBDSA-N 1 2 378.274 2.283 20 0 GEADLO O=C(C[C@H]1CCCS(=O)(=O)C1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000292921505 532920113 /nfs/dbraw/zinc/92/01/13/532920113.db2.gz GHIGDBBTEGSMLC-OAHLLOKOSA-N 1 2 382.551 2.389 20 0 GEADLO OCc1cn([C@@H]2CCC[N@H+](Cc3ccc(I)cc3)C2)nn1 ZINC000292996206 532920747 /nfs/dbraw/zinc/92/07/47/532920747.db2.gz OJYGAJZVMDJVBI-OAHLLOKOSA-N 1 2 398.248 2.212 20 0 GEADLO OCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(I)cc3)C2)nn1 ZINC000292996206 532920748 /nfs/dbraw/zinc/92/07/48/532920748.db2.gz OJYGAJZVMDJVBI-OAHLLOKOSA-N 1 2 398.248 2.212 20 0 GEADLO O=C(c1ccncc1I)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000367162260 532923255 /nfs/dbraw/zinc/92/32/55/532923255.db2.gz YZPBBAPAQIYVDP-SNVBAGLBSA-N 1 2 382.205 2.429 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000293444178 532926893 /nfs/dbraw/zinc/92/68/93/532926893.db2.gz UGSMUQIXMBUIEG-UHFFFAOYSA-N 1 2 383.857 2.147 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1Cc2cccc(Br)c2C1 ZINC000368015158 532929254 /nfs/dbraw/zinc/92/92/54/532929254.db2.gz GWNKKKASFBHBIW-AWEZNQCLSA-N 1 2 380.286 2.338 20 0 GEADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1Cc2cccc(Br)c2C1 ZINC000368015158 532929256 /nfs/dbraw/zinc/92/92/56/532929256.db2.gz GWNKKKASFBHBIW-AWEZNQCLSA-N 1 2 380.286 2.338 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)[C@@H]3CCCOC3)CC2)cs1 ZINC000368409823 532932239 /nfs/dbraw/zinc/93/22/39/532932239.db2.gz HKPFYIMJXSZGHK-MRXNPFEDSA-N 1 2 387.571 2.016 20 0 GEADLO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1Br ZINC000368154577 532930383 /nfs/dbraw/zinc/93/03/83/532930383.db2.gz ZUNRIYBNKJFLLE-SECBINFHSA-N 1 2 395.232 2.232 20 0 GEADLO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1Br ZINC000368154577 532930385 /nfs/dbraw/zinc/93/03/85/532930385.db2.gz ZUNRIYBNKJFLLE-SECBINFHSA-N 1 2 395.232 2.232 20 0 GEADLO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)ccc1Cl ZINC000368485527 532932722 /nfs/dbraw/zinc/93/27/22/532932722.db2.gz IZADYEXFMJHGLA-GFCCVEGCSA-N 1 2 395.859 2.306 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000368510699 532932913 /nfs/dbraw/zinc/93/29/13/532932913.db2.gz RUFGVNBSGMBJFI-AWEZNQCLSA-N 1 2 379.258 2.466 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[C@H](C)[N@H+]1C ZINC000293901288 532933213 /nfs/dbraw/zinc/93/32/13/532933213.db2.gz FGORPDJQMLXUFT-PHIMTYICSA-N 1 2 389.315 2.017 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[C@H](C)[N@@H+]1C ZINC000293901288 532933214 /nfs/dbraw/zinc/93/32/14/532933214.db2.gz FGORPDJQMLXUFT-PHIMTYICSA-N 1 2 389.315 2.017 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368781800 532934331 /nfs/dbraw/zinc/93/43/31/532934331.db2.gz JWFVVXKUSIKNTF-IUODEOHRSA-N 1 2 395.301 2.266 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368781800 532934332 /nfs/dbraw/zinc/93/43/32/532934332.db2.gz JWFVVXKUSIKNTF-IUODEOHRSA-N 1 2 395.301 2.266 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000369367245 532938841 /nfs/dbraw/zinc/93/88/41/532938841.db2.gz XLMNBFQPXCSERZ-JTQLQIEISA-N 1 2 384.221 2.373 20 0 GEADLO O=C(Nc1ccccc1Br)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000370353019 532943045 /nfs/dbraw/zinc/94/30/45/532943045.db2.gz HYAUNGRLWADJAV-HNNXBMFYSA-N 1 2 395.301 2.267 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370425099 532943452 /nfs/dbraw/zinc/94/34/52/532943452.db2.gz QXPHRVLWOBFSRZ-ZIAGYGMSSA-N 1 2 383.286 2.150 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1SCCc2sccc21 ZINC000369725711 532940575 /nfs/dbraw/zinc/94/05/75/532940575.db2.gz NRWYFMGZBIHULV-INIZCTEOSA-N 1 2 378.523 2.246 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000369737239 532940611 /nfs/dbraw/zinc/94/06/11/532940611.db2.gz GNDIWRFAFDNGRU-FUHWJXTLSA-N 1 2 379.298 2.101 20 0 GEADLO CCOC(=O)C1(COC)CC[NH+](Cc2c(Br)c(C)nn2C)CC1 ZINC000370124098 532942285 /nfs/dbraw/zinc/94/22/85/532942285.db2.gz XHEYCARRLRHITO-UHFFFAOYSA-N 1 2 388.306 2.283 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000370732412 532945110 /nfs/dbraw/zinc/94/51/10/532945110.db2.gz KRCRWMMOZXQKNN-NSHDSACASA-N 1 2 377.388 2.360 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000370732412 532945111 /nfs/dbraw/zinc/94/51/11/532945111.db2.gz KRCRWMMOZXQKNN-NSHDSACASA-N 1 2 377.388 2.360 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000371326329 532947543 /nfs/dbraw/zinc/94/75/43/532947543.db2.gz IICWLGVBYYYOGH-AWEZNQCLSA-N 1 2 382.917 2.254 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000371326329 532947544 /nfs/dbraw/zinc/94/75/44/532947544.db2.gz IICWLGVBYYYOGH-AWEZNQCLSA-N 1 2 382.917 2.254 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]2c2cccc(Br)c2)CC1 ZINC000371711878 532949325 /nfs/dbraw/zinc/94/93/25/532949325.db2.gz WTUZRPQIZGMSDY-SUMWQHHRSA-N 1 2 394.313 2.275 20 0 GEADLO O=Cc1ccc(OCC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(Br)c1 ZINC000371443784 532948199 /nfs/dbraw/zinc/94/81/99/532948199.db2.gz SYLATZNVMTXUFC-LLVKDONJSA-N 1 2 378.226 2.037 20 0 GEADLO O=Cc1ccc(OCC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(Br)c1 ZINC000371443784 532948200 /nfs/dbraw/zinc/94/82/00/532948200.db2.gz SYLATZNVMTXUFC-LLVKDONJSA-N 1 2 378.226 2.037 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]2c2cccc(Br)c2)CC1 ZINC000371711878 532949326 /nfs/dbraw/zinc/94/93/26/532949326.db2.gz WTUZRPQIZGMSDY-SUMWQHHRSA-N 1 2 394.313 2.275 20 0 GEADLO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000371056328 532946807 /nfs/dbraw/zinc/94/68/07/532946807.db2.gz RYDVGGJOOCRNTK-WDEREUQCSA-N 1 2 378.466 2.443 20 0 GEADLO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000371056328 532946808 /nfs/dbraw/zinc/94/68/08/532946808.db2.gz RYDVGGJOOCRNTK-WDEREUQCSA-N 1 2 378.466 2.443 20 0 GEADLO COc1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)sc1Br ZINC000371153481 532947114 /nfs/dbraw/zinc/94/71/14/532947114.db2.gz BHHYBZCKSUVLCC-SNVBAGLBSA-N 1 2 375.288 2.066 20 0 GEADLO Cc1cn2nc(N3CCC[C@@H](c4n[nH]cc4C[NH+]4CCOCC4)C3)sc2n1 ZINC000275504162 570695158 /nfs/dbraw/zinc/69/51/58/570695158.db2.gz CRVMUXNGVBCEPL-CQSZACIVSA-N 1 2 387.513 2.039 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000275712903 570698884 /nfs/dbraw/zinc/69/88/84/570698884.db2.gz OFTPBINUAHKVBX-HNNXBMFYSA-N 1 2 389.450 2.393 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000275712903 570698885 /nfs/dbraw/zinc/69/88/85/570698885.db2.gz OFTPBINUAHKVBX-HNNXBMFYSA-N 1 2 389.450 2.393 20 0 GEADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCO[C@H](c3cnn(C)c3)C2)nc[nH+]1 ZINC000275802042 570700036 /nfs/dbraw/zinc/70/00/36/570700036.db2.gz USXSTBREAAXISH-ZWOKBUDYSA-N 1 2 386.500 2.404 20 0 GEADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCO[C@H](c3cnn(C)c3)C2)[nH+]cn1 ZINC000275802042 570700041 /nfs/dbraw/zinc/70/00/41/570700041.db2.gz USXSTBREAAXISH-ZWOKBUDYSA-N 1 2 386.500 2.404 20 0 GEADLO CC(C)[C@H]1CC(=O)N(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000735748880 598827851 /nfs/dbraw/zinc/82/78/51/598827851.db2.gz YOVKTXINCCUIEN-INIZCTEOSA-N 1 2 384.484 2.172 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736204508 598934164 /nfs/dbraw/zinc/93/41/64/598934164.db2.gz QLYNSPSGTQYECX-INIZCTEOSA-N 1 2 391.479 2.100 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000737291474 598967162 /nfs/dbraw/zinc/96/71/62/598967162.db2.gz MJJSTEDQGQYKJI-OAHLLOKOSA-N 1 2 392.467 2.481 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000737033598 598980998 /nfs/dbraw/zinc/98/09/98/598980998.db2.gz YRESMVARJYABRJ-IBGZPJMESA-N 1 2 381.436 2.328 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000737033598 598980999 /nfs/dbraw/zinc/98/09/99/598980999.db2.gz YRESMVARJYABRJ-IBGZPJMESA-N 1 2 381.436 2.328 20 0 GEADLO O=C(NCCn1cc[nH+]c1)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000738094130 598983994 /nfs/dbraw/zinc/98/39/94/598983994.db2.gz BPOVRBQYQWAQIP-UHFFFAOYSA-N 1 2 389.419 2.072 20 0 GEADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)nc2)C[C@@H](C)O1 ZINC000736287827 598993835 /nfs/dbraw/zinc/99/38/35/598993835.db2.gz GHGQGKRFJWIJRP-ZIAGYGMSSA-N 1 2 393.451 2.123 20 0 GEADLO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736818772 599065728 /nfs/dbraw/zinc/06/57/28/599065728.db2.gz BBIHOLSEAWJMLS-HNNXBMFYSA-N 1 2 388.378 2.127 20 0 GEADLO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736818772 599065731 /nfs/dbraw/zinc/06/57/31/599065731.db2.gz BBIHOLSEAWJMLS-HNNXBMFYSA-N 1 2 388.378 2.127 20 0 GEADLO NC(=O)[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730334 599089087 /nfs/dbraw/zinc/08/90/87/599089087.db2.gz JETWEPIXNWYKTF-HUUCEWRRSA-N 1 2 384.440 2.359 20 0 GEADLO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000823242369 599172674 /nfs/dbraw/zinc/17/26/74/599172674.db2.gz WNEVGPUSUHQQJQ-UHFFFAOYSA-N 1 2 377.383 2.181 20 0 GEADLO Cc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000737330279 599211314 /nfs/dbraw/zinc/21/13/14/599211314.db2.gz ITCPAVQRLLEMJE-MRXNPFEDSA-N 1 2 382.424 2.170 20 0 GEADLO Cc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000737330279 599211316 /nfs/dbraw/zinc/21/13/16/599211316.db2.gz ITCPAVQRLLEMJE-MRXNPFEDSA-N 1 2 382.424 2.170 20 0 GEADLO CN(C(=O)NCCCCC(=O)[O-])[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000635530166 598170682 /nfs/dbraw/zinc/17/06/82/598170682.db2.gz RRBJPYCFOSYQOO-MSOLQXFVSA-N 1 2 382.549 2.220 20 0 GEADLO CN(C(=O)NCCCCC(=O)[O-])[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000635530166 598170683 /nfs/dbraw/zinc/17/06/83/598170683.db2.gz RRBJPYCFOSYQOO-MSOLQXFVSA-N 1 2 382.549 2.220 20 0 GEADLO CN(CC1CCCCC1)C(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736795614 598251765 /nfs/dbraw/zinc/25/17/65/598251765.db2.gz WLQNOSHJNPAXCA-UHFFFAOYSA-N 1 2 397.527 2.027 20 0 GEADLO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735796540 598252376 /nfs/dbraw/zinc/25/23/76/598252376.db2.gz DDBUWGKVDLLXJX-KRWDZBQOSA-N 1 2 399.543 2.320 20 0 GEADLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737400593 598253415 /nfs/dbraw/zinc/25/34/15/598253415.db2.gz UJHILAOLSJYZAB-MRXNPFEDSA-N 1 2 391.479 2.324 20 0 GEADLO O=C(CC1CCCCC1)N1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737812400 598255420 /nfs/dbraw/zinc/25/54/20/598255420.db2.gz DPIPPPDHISDBKV-UHFFFAOYSA-N 1 2 398.511 2.360 20 0 GEADLO O=C(C[N@@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737873742 598312077 /nfs/dbraw/zinc/31/20/77/598312077.db2.gz PIDBLJPKPAAAPG-OAHLLOKOSA-N 1 2 384.465 2.330 20 0 GEADLO O=C(C[N@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737873742 598312079 /nfs/dbraw/zinc/31/20/79/598312079.db2.gz PIDBLJPKPAAAPG-OAHLLOKOSA-N 1 2 384.465 2.330 20 0 GEADLO Cc1cccc(CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737391582 598366887 /nfs/dbraw/zinc/36/68/87/598366887.db2.gz FQTZLNQQVQKKSD-UHFFFAOYSA-N 1 2 376.464 2.062 20 0 GEADLO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000737512146 598368791 /nfs/dbraw/zinc/36/87/91/598368791.db2.gz WYYSBVFBOOWKIG-CQSZACIVSA-N 1 2 398.471 2.202 20 0 GEADLO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000737512146 598368792 /nfs/dbraw/zinc/36/87/92/598368792.db2.gz WYYSBVFBOOWKIG-CQSZACIVSA-N 1 2 398.471 2.202 20 0 GEADLO Clc1cc(-c2nn[nH]n2)cnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000737562589 598386682 /nfs/dbraw/zinc/38/66/82/598386682.db2.gz KGDXVYFVCXKJSA-UHFFFAOYSA-N 1 2 385.859 2.116 20 0 GEADLO O=C1C[C@H]([N@@H+]2CCCc3sccc3C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738301395 598420449 /nfs/dbraw/zinc/42/04/49/598420449.db2.gz OHYUIPSSJFKWIN-HNNXBMFYSA-N 1 2 394.460 2.009 20 0 GEADLO O=C1C[C@H]([N@H+]2CCCc3sccc3C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738301395 598420450 /nfs/dbraw/zinc/42/04/50/598420450.db2.gz OHYUIPSSJFKWIN-HNNXBMFYSA-N 1 2 394.460 2.009 20 0 GEADLO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000736171287 598472510 /nfs/dbraw/zinc/47/25/10/598472510.db2.gz VHFLDTAFPWMNTN-CZUORRHYSA-N 1 2 383.456 2.062 20 0 GEADLO CC(C)c1nnc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)o1 ZINC000735943538 598552414 /nfs/dbraw/zinc/55/24/14/598552414.db2.gz UBWCSUBMNSDART-UHFFFAOYSA-N 1 2 396.455 2.224 20 0 GEADLO Cn1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)cn1 ZINC000737603821 598685741 /nfs/dbraw/zinc/68/57/41/598685741.db2.gz CZODVJFJEPDEKY-OAHLLOKOSA-N 1 2 386.847 2.029 20 0 GEADLO Cn1cc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)cn1 ZINC000737603821 598685743 /nfs/dbraw/zinc/68/57/43/598685743.db2.gz CZODVJFJEPDEKY-OAHLLOKOSA-N 1 2 386.847 2.029 20 0 GEADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000736637958 598729397 /nfs/dbraw/zinc/72/93/97/598729397.db2.gz VNJYAVZZJSBHQW-ZDUSSCGKSA-N 1 2 382.428 2.400 20 0 GEADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000736637150 598729541 /nfs/dbraw/zinc/72/95/41/598729541.db2.gz PBDXEBINLOYPEP-AWEZNQCLSA-N 1 2 382.428 2.331 20 0 GEADLO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)cc1C(=O)OC ZINC000737003501 598760565 /nfs/dbraw/zinc/76/05/65/598760565.db2.gz WQAWLCHYLAHHMA-UHFFFAOYSA-N 1 2 399.426 2.441 20 0 GEADLO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)cc1C(=O)OC ZINC000737003501 598760567 /nfs/dbraw/zinc/76/05/67/598760567.db2.gz WQAWLCHYLAHHMA-UHFFFAOYSA-N 1 2 399.426 2.441 20 0 GEADLO Cc1csc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CCO2)n1 ZINC000737455602 598760877 /nfs/dbraw/zinc/76/08/77/598760877.db2.gz SXPJXRVIPDCANY-HNNXBMFYSA-N 1 2 399.480 2.034 20 0 GEADLO Cc1csc([C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CCO2)n1 ZINC000737455602 598760878 /nfs/dbraw/zinc/76/08/78/598760878.db2.gz SXPJXRVIPDCANY-HNNXBMFYSA-N 1 2 399.480 2.034 20 0 GEADLO CCC[C@@H]1CC(=O)N(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821034992 599328594 /nfs/dbraw/zinc/32/85/94/599328594.db2.gz YATVRTGWTYOONZ-OAHLLOKOSA-N 1 2 384.484 2.316 20 0 GEADLO COc1cccc(F)c1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821873876 599383044 /nfs/dbraw/zinc/38/30/44/599383044.db2.gz ZOSCXKULCULGBI-WBMJQRKESA-N 1 2 396.426 2.471 20 0 GEADLO Clc1ccccc1OCC[NH+]1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC000737583375 599402946 /nfs/dbraw/zinc/40/29/46/599402946.db2.gz JVFWRSGJUJMJOX-UHFFFAOYSA-N 1 2 385.859 2.116 20 0 GEADLO CCn1ccnc1C[N@@H+]1CCCN(c2c(Cl)cccc2-c2nn[nH]n2)CC1 ZINC000821566526 599535494 /nfs/dbraw/zinc/53/54/94/599535494.db2.gz IKNJQEGLUPFYPF-UHFFFAOYSA-N 1 2 386.891 2.449 20 0 GEADLO CCn1ccnc1C[N@H+]1CCCN(c2c(Cl)cccc2-c2nn[nH]n2)CC1 ZINC000821566526 599535497 /nfs/dbraw/zinc/53/54/97/599535497.db2.gz IKNJQEGLUPFYPF-UHFFFAOYSA-N 1 2 386.891 2.449 20 0 GEADLO O=C1CCCCN1[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000823526124 599553647 /nfs/dbraw/zinc/55/36/47/599553647.db2.gz ZKHNVBCYFKOQQB-AWEZNQCLSA-N 1 2 377.452 2.396 20 0 GEADLO C[N@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)Cc1ccc2c(c1)OCO2 ZINC000821612490 599562268 /nfs/dbraw/zinc/56/22/68/599562268.db2.gz XKKOGRKOIQMJPP-UHFFFAOYSA-N 1 2 391.391 2.277 20 0 GEADLO C[N@@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)Cc1ccc2c(c1)OCO2 ZINC000821612490 599562272 /nfs/dbraw/zinc/56/22/72/599562272.db2.gz XKKOGRKOIQMJPP-UHFFFAOYSA-N 1 2 391.391 2.277 20 0 GEADLO CN(Cc1ccc(S(C)(=O)=O)cc1)c1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000821611112 599569297 /nfs/dbraw/zinc/56/92/97/599569297.db2.gz QYNJLERFJDTJCL-UHFFFAOYSA-N 1 2 394.460 2.455 20 0 GEADLO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)N[C@](CC)(C(C)C)C1=O ZINC000736479463 599578287 /nfs/dbraw/zinc/57/82/87/599578287.db2.gz HTTIPFQBONOTMD-HXUWFJFHSA-N 1 2 399.499 2.393 20 0 GEADLO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)N[C@](CC)(C(C)C)C1=O ZINC000736479463 599578290 /nfs/dbraw/zinc/57/82/90/599578290.db2.gz HTTIPFQBONOTMD-HXUWFJFHSA-N 1 2 399.499 2.393 20 0 GEADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736305437 599591597 /nfs/dbraw/zinc/59/15/97/599591597.db2.gz UCUUWZLKFYJCPG-ZDUSSCGKSA-N 1 2 380.427 2.241 20 0 GEADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736305437 599591600 /nfs/dbraw/zinc/59/16/00/599591600.db2.gz UCUUWZLKFYJCPG-ZDUSSCGKSA-N 1 2 380.427 2.241 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000737301971 599594758 /nfs/dbraw/zinc/59/47/58/599594758.db2.gz ZBPBZCDEHVARRB-UHFFFAOYSA-N 1 2 382.405 2.129 20 0 GEADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCn2c(C)c(C)[nH+]c2C1 ZINC000736636566 599610479 /nfs/dbraw/zinc/61/04/79/599610479.db2.gz MMAMQVKFQBUFGI-UHFFFAOYSA-N 1 2 382.428 2.126 20 0 GEADLO CCc1cnc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)o1 ZINC000821499991 599636862 /nfs/dbraw/zinc/63/68/62/599636862.db2.gz ZNZRLZZAALIBAJ-UHFFFAOYSA-N 1 2 381.440 2.268 20 0 GEADLO CC(C)Oc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1-c1nn[nH]n1 ZINC000820170128 607429772 /nfs/dbraw/zinc/42/97/72/607429772.db2.gz RKVZFYYCHMSNPS-UHFFFAOYSA-N 1 2 382.428 2.283 20 0 GEADLO C[C@H]1COCCC[N@@H+]1CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000825005608 607474674 /nfs/dbraw/zinc/47/46/74/607474674.db2.gz AQBFXCKMZGMLMY-LBPRGKRZSA-N 1 2 390.513 2.246 20 0 GEADLO C[C@H]1COCCC[N@H+]1CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000825005608 607474675 /nfs/dbraw/zinc/47/46/75/607474675.db2.gz AQBFXCKMZGMLMY-LBPRGKRZSA-N 1 2 390.513 2.246 20 0 GEADLO COCc1cccc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826164506 607482499 /nfs/dbraw/zinc/48/24/99/607482499.db2.gz DARRTVUVOLDMQR-UHFFFAOYSA-N 1 2 378.480 2.331 20 0 GEADLO Cc1[nH]c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)c1C(=O)[O-] ZINC000738154760 601087087 /nfs/dbraw/zinc/08/70/87/601087087.db2.gz KUCGRAVDRQKNMZ-UHFFFAOYSA-N 1 2 376.501 2.010 20 0 GEADLO COc1ccc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826195027 607493432 /nfs/dbraw/zinc/49/34/32/607493432.db2.gz FQSSELUZRRHHPG-UHFFFAOYSA-N 1 2 398.511 2.490 20 0 GEADLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825511981 607498981 /nfs/dbraw/zinc/49/89/81/607498981.db2.gz NVJIRYCKKAFUPF-UHFFFAOYSA-N 1 2 395.463 2.483 20 0 GEADLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825511981 607498982 /nfs/dbraw/zinc/49/89/82/607498982.db2.gz NVJIRYCKKAFUPF-UHFFFAOYSA-N 1 2 395.463 2.483 20 0 GEADLO O=C([O-])C1CCN(C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000833190216 601306682 /nfs/dbraw/zinc/30/66/82/601306682.db2.gz RQOYVVXFFRDSAC-HSZRJFAPSA-N 1 2 399.535 2.298 20 0 GEADLO O=C([O-])C1CCN(C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000833190216 601306684 /nfs/dbraw/zinc/30/66/84/601306684.db2.gz RQOYVVXFFRDSAC-HSZRJFAPSA-N 1 2 399.535 2.298 20 0 GEADLO O=C([O-])C1CCN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000833190216 601306686 /nfs/dbraw/zinc/30/66/86/601306686.db2.gz RQOYVVXFFRDSAC-HSZRJFAPSA-N 1 2 399.535 2.298 20 0 GEADLO O=C([O-])C1CCN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000833190216 601306688 /nfs/dbraw/zinc/30/66/88/601306688.db2.gz RQOYVVXFFRDSAC-HSZRJFAPSA-N 1 2 399.535 2.298 20 0 GEADLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)Cc2ccnc(-c3nn[nH]n3)c2)cc1 ZINC000825348086 607516844 /nfs/dbraw/zinc/51/68/44/607516844.db2.gz BXWFWCMVHVEFOV-AWEZNQCLSA-N 1 2 379.468 2.263 20 0 GEADLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)Cc2ccnc(-c3nn[nH]n3)c2)cc1 ZINC000825348086 607516845 /nfs/dbraw/zinc/51/68/45/607516845.db2.gz BXWFWCMVHVEFOV-AWEZNQCLSA-N 1 2 379.468 2.263 20 0 GEADLO COc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000826195607 607522301 /nfs/dbraw/zinc/52/23/01/607522301.db2.gz ZUWGQCJEAIVWTH-ZDUSSCGKSA-N 1 2 388.472 2.317 20 0 GEADLO COc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000826195607 607522303 /nfs/dbraw/zinc/52/23/03/607522303.db2.gz ZUWGQCJEAIVWTH-ZDUSSCGKSA-N 1 2 388.472 2.317 20 0 GEADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cc(-c3nn[nH]n3)cn2C)c(C)c1 ZINC000826284048 607539766 /nfs/dbraw/zinc/53/97/66/607539766.db2.gz IPIMERJOFZTERU-QGZVFWFLSA-N 1 2 390.451 2.190 20 0 GEADLO COc1ccc(C[NH2+]Cc2csc(N(C(C)=O)C3CC3)n2)cc1-c1nn[nH]n1 ZINC000826202542 607567984 /nfs/dbraw/zinc/56/79/84/607567984.db2.gz CYADIEJZLTYVKV-UHFFFAOYSA-N 1 2 399.480 2.137 20 0 GEADLO Cc1cccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c1-c1nn[nH]n1 ZINC000826304227 607577566 /nfs/dbraw/zinc/57/75/66/607577566.db2.gz CTBJWGOUHGOONL-UHFFFAOYSA-N 1 2 382.405 2.129 20 0 GEADLO O=C(OCc1ccnc(-c2nn[nH]n2)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000826467467 607609589 /nfs/dbraw/zinc/60/95/89/607609589.db2.gz XOASFAMLHFOWJQ-GOSISDBHSA-N 1 2 378.436 2.360 20 0 GEADLO O=C(OCc1ccnc(-c2nn[nH]n2)c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000826467467 607609590 /nfs/dbraw/zinc/60/95/90/607609590.db2.gz XOASFAMLHFOWJQ-GOSISDBHSA-N 1 2 378.436 2.360 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000828466296 603328785 /nfs/dbraw/zinc/32/87/85/603328785.db2.gz NAMXTCKYFMIXBA-UHFFFAOYSA-N 1 2 381.452 2.405 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000828466296 603328789 /nfs/dbraw/zinc/32/87/89/603328789.db2.gz NAMXTCKYFMIXBA-UHFFFAOYSA-N 1 2 381.452 2.405 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000828464921 603340138 /nfs/dbraw/zinc/34/01/38/603340138.db2.gz DFSKQDOWLDHROG-UHFFFAOYSA-N 1 2 391.516 2.286 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000828464921 603340142 /nfs/dbraw/zinc/34/01/42/603340142.db2.gz DFSKQDOWLDHROG-UHFFFAOYSA-N 1 2 391.516 2.286 20 0 GEADLO Cc1ccccc1OCC[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826307372 607643292 /nfs/dbraw/zinc/64/32/92/607643292.db2.gz FVJQRJKYETVRJI-UHFFFAOYSA-N 1 2 395.467 2.242 20 0 GEADLO CN(C(=O)[O-])[C@@H]1CC[N@H+](CCC[NH+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC000827890791 603849202 /nfs/dbraw/zinc/84/92/02/603849202.db2.gz UASSJMIFXNTEHP-HZPDHXFCSA-N 1 2 384.521 2.002 20 0 GEADLO CN(C(=O)[O-])[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC000827890791 603849203 /nfs/dbraw/zinc/84/92/03/603849203.db2.gz UASSJMIFXNTEHP-HZPDHXFCSA-N 1 2 384.521 2.002 20 0 GEADLO CN(C(=O)[O-])[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC000827890791 603849205 /nfs/dbraw/zinc/84/92/05/603849205.db2.gz UASSJMIFXNTEHP-HZPDHXFCSA-N 1 2 384.521 2.002 20 0 GEADLO CN(C(=O)[O-])[C@@H]1CC[NH+](CCC[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC000827890791 603849207 /nfs/dbraw/zinc/84/92/07/603849207.db2.gz UASSJMIFXNTEHP-HZPDHXFCSA-N 1 2 384.521 2.002 20 0 GEADLO COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000833702732 604480358 /nfs/dbraw/zinc/48/03/58/604480358.db2.gz YQSYRJFSMUIXRO-LJQANCHMSA-N 1 2 390.480 2.176 20 0 GEADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000444341243 649946794 /nfs/dbraw/zinc/94/67/94/649946794.db2.gz KRQKDFQLJOBOKG-JSGCOSHPSA-N 1 2 377.794 2.112 20 0 GEADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000444341243 649946797 /nfs/dbraw/zinc/94/67/97/649946797.db2.gz KRQKDFQLJOBOKG-JSGCOSHPSA-N 1 2 377.794 2.112 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826304341 607732153 /nfs/dbraw/zinc/73/21/53/607732153.db2.gz HXMRPJOEPAPLOW-CQSZACIVSA-N 1 2 375.440 2.231 20 0 GEADLO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000833627756 605135841 /nfs/dbraw/zinc/13/58/41/605135841.db2.gz ZQHRZSZSVTUCHT-YOEHRIQHSA-N 1 2 396.919 2.133 20 0 GEADLO C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000833627756 605135843 /nfs/dbraw/zinc/13/58/43/605135843.db2.gz ZQHRZSZSVTUCHT-YOEHRIQHSA-N 1 2 396.919 2.133 20 0 GEADLO C[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1CCC(=O)[O-] ZINC000833618467 605258218 /nfs/dbraw/zinc/25/82/18/605258218.db2.gz OJQXYECXRBBDLH-QFBILLFUSA-N 1 2 391.487 2.188 20 0 GEADLO C[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@H+]1CCC(=O)[O-] ZINC000833618467 605258221 /nfs/dbraw/zinc/25/82/21/605258221.db2.gz OJQXYECXRBBDLH-QFBILLFUSA-N 1 2 391.487 2.188 20 0 GEADLO C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1CCC(=O)[O-] ZINC000833618467 605258225 /nfs/dbraw/zinc/25/82/25/605258225.db2.gz OJQXYECXRBBDLH-QFBILLFUSA-N 1 2 391.487 2.188 20 0 GEADLO C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1CCC(=O)[O-] ZINC000833618467 605258227 /nfs/dbraw/zinc/25/82/27/605258227.db2.gz OJQXYECXRBBDLH-QFBILLFUSA-N 1 2 391.487 2.188 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000833403079 605272383 /nfs/dbraw/zinc/27/23/83/605272383.db2.gz DYKVYWRWNJHYCG-INIZCTEOSA-N 1 2 376.501 2.087 20 0 GEADLO O=C([O-])N1CC[C@]2(C1)C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1O2 ZINC000834081755 605632505 /nfs/dbraw/zinc/63/25/05/605632505.db2.gz BWBYBKMEHQSKAF-GHTZIAJQSA-N 1 2 389.496 2.069 20 0 GEADLO O=C([O-])NC1CC[NH+](CC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000832386331 605660290 /nfs/dbraw/zinc/66/02/90/605660290.db2.gz ABRNEDJQNXVIJC-UHFFFAOYSA-N 1 2 388.512 2.386 20 0 GEADLO O=C([O-])N1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000834102333 606035135 /nfs/dbraw/zinc/03/51/35/606035135.db2.gz BONOCMJTTGNKPJ-SFHVURJKSA-N 1 2 377.485 2.020 20 0 GEADLO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000820563233 606069480 /nfs/dbraw/zinc/06/94/80/606069480.db2.gz PBZKVRZFDUDGKT-AWEZNQCLSA-N 1 2 378.436 2.091 20 0 GEADLO O=C(CN1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822998011 606079526 /nfs/dbraw/zinc/07/95/26/606079526.db2.gz YPXLNGRBIKHTJC-LLVKDONJSA-N 1 2 386.847 2.061 20 0 GEADLO CC[N@H+](Cc1csc(CC(=O)NC)n1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821230939 606099913 /nfs/dbraw/zinc/09/99/13/606099913.db2.gz VKPLIGJBPYFJNR-GFCCVEGCSA-N 1 2 385.497 2.195 20 0 GEADLO CC[N@@H+](Cc1csc(CC(=O)NC)n1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821230939 606099915 /nfs/dbraw/zinc/09/99/15/606099915.db2.gz VKPLIGJBPYFJNR-GFCCVEGCSA-N 1 2 385.497 2.195 20 0 GEADLO C[C@@]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000820427887 606114907 /nfs/dbraw/zinc/11/49/07/606114907.db2.gz VSXKGHMEFDDIQY-KRWDZBQOSA-N 1 2 390.369 2.376 20 0 GEADLO CC1(C)CCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820589695 606129903 /nfs/dbraw/zinc/12/99/03/606129903.db2.gz KWFBWKJESKUXLK-QGZVFWFLSA-N 1 2 383.500 2.273 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000822010054 606136076 /nfs/dbraw/zinc/13/60/76/606136076.db2.gz LLOGIYOVFPOVKR-UHFFFAOYSA-N 1 2 379.380 2.000 20 0 GEADLO O=C(c1cccc2[nH]ccc21)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823493183 606151650 /nfs/dbraw/zinc/15/16/50/606151650.db2.gz HIDMZNCEHHNDKP-UHFFFAOYSA-N 1 2 387.447 2.306 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822009906 606291875 /nfs/dbraw/zinc/29/18/75/606291875.db2.gz HHKQHWZHFAQODN-UHFFFAOYSA-N 1 2 379.380 2.000 20 0 GEADLO O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000823060452 606294658 /nfs/dbraw/zinc/29/46/58/606294658.db2.gz CFHOIKQYSFJCAL-UHFFFAOYSA-N 1 2 383.481 2.229 20 0 GEADLO CC[C@@H]([NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1nccs1 ZINC000820926995 606307310 /nfs/dbraw/zinc/30/73/10/606307310.db2.gz YKZRYBBUONISDT-MNOVXSKESA-N 1 2 375.483 2.231 20 0 GEADLO Cc1cnc([C@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)s1 ZINC000822389524 606310125 /nfs/dbraw/zinc/31/01/25/606310125.db2.gz ZNIUBBLPCAYYJO-ONGXEEELSA-N 1 2 375.483 2.149 20 0 GEADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H](C)O1 ZINC000820759743 606314861 /nfs/dbraw/zinc/31/48/61/606314861.db2.gz NDFOYNAZQJYCFY-STQMWFEESA-N 1 2 381.440 2.056 20 0 GEADLO C[N@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821610727 606315430 /nfs/dbraw/zinc/31/54/30/606315430.db2.gz BYMAXVRDRAZLEZ-CQSZACIVSA-N 1 2 390.419 2.444 20 0 GEADLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821610727 606315432 /nfs/dbraw/zinc/31/54/32/606315432.db2.gz BYMAXVRDRAZLEZ-CQSZACIVSA-N 1 2 390.419 2.444 20 0 GEADLO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821000820 606334220 /nfs/dbraw/zinc/33/42/20/606334220.db2.gz JZRCDLDUCQCHQO-MSOLQXFVSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821000820 606334221 /nfs/dbraw/zinc/33/42/21/606334221.db2.gz JZRCDLDUCQCHQO-MSOLQXFVSA-N 1 2 383.500 2.144 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000822337217 606469128 /nfs/dbraw/zinc/46/91/28/606469128.db2.gz VRWADOPDEDDQOE-CYBMUJFWSA-N 1 2 394.508 2.337 20 0 GEADLO C[C@H](N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1)C(F)(F)F ZINC000820307889 606469732 /nfs/dbraw/zinc/46/97/32/606469732.db2.gz QRBZDXGYBCUBIE-NSHDSACASA-N 1 2 377.374 2.488 20 0 GEADLO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(-c4nn[nH]n4)s3)cc2)CC1 ZINC000821277463 606526472 /nfs/dbraw/zinc/52/64/72/606526472.db2.gz UDOXGPVWHANTBP-UHFFFAOYSA-N 1 2 397.508 2.318 20 0 GEADLO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000820528739 606576911 /nfs/dbraw/zinc/57/69/11/606576911.db2.gz NODYGWRXBITJBL-BEFAXECRSA-N 1 2 392.463 2.149 20 0 GEADLO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000820528739 606576912 /nfs/dbraw/zinc/57/69/12/606576912.db2.gz NODYGWRXBITJBL-BEFAXECRSA-N 1 2 392.463 2.149 20 0 GEADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)s1)c1ccccc1 ZINC000822698785 606577542 /nfs/dbraw/zinc/57/75/42/606577542.db2.gz FGXXMYNIFYIZNQ-CYBMUJFWSA-N 1 2 379.449 2.376 20 0 GEADLO O=Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000823551316 606659545 /nfs/dbraw/zinc/65/95/45/606659545.db2.gz MQAZOLDFDQJMPQ-UHFFFAOYSA-N 1 2 396.476 2.089 20 0 GEADLO O=Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000823551316 606659546 /nfs/dbraw/zinc/65/95/46/606659546.db2.gz MQAZOLDFDQJMPQ-UHFFFAOYSA-N 1 2 396.476 2.089 20 0 GEADLO CC(C)Oc1ccccc1C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000820178348 606776961 /nfs/dbraw/zinc/77/69/61/606776961.db2.gz NNTRNOGXNGCGQH-HNNXBMFYSA-N 1 2 394.483 2.155 20 0 GEADLO CC(C)Oc1ccccc1C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000820178348 606776963 /nfs/dbraw/zinc/77/69/63/606776963.db2.gz NNTRNOGXNGCGQH-HNNXBMFYSA-N 1 2 394.483 2.155 20 0 GEADLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000822694067 606847855 /nfs/dbraw/zinc/84/78/55/606847855.db2.gz TZMOZDSOZKXFJF-ROUUACIJSA-N 1 2 393.426 2.152 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CCN(c2cccs2)CC1 ZINC000819877356 606881004 /nfs/dbraw/zinc/88/10/04/606881004.db2.gz UNEPUVMGFBFLDQ-CYBMUJFWSA-N 1 2 383.481 2.077 20 0 GEADLO CCc1ccccc1NC(=O)C[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821497720 606883636 /nfs/dbraw/zinc/88/36/36/606883636.db2.gz YFUANFXEEWHJLG-SFHVURJKSA-N 1 2 380.452 2.033 20 0 GEADLO CCc1ccccc1NC(=O)C[N@@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821497720 606883638 /nfs/dbraw/zinc/88/36/38/606883638.db2.gz YFUANFXEEWHJLG-SFHVURJKSA-N 1 2 380.452 2.033 20 0 GEADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCCOc1cccc(-c3nn[nH]n3)c1)C2 ZINC000821670011 606895284 /nfs/dbraw/zinc/89/52/84/606895284.db2.gz IUSMRASPDMQCPS-UHFFFAOYSA-N 1 2 379.420 2.438 20 0 GEADLO COC(=O)c1ccc2c(c1)C[N@H+](CCCOc1cccc(-c3nn[nH]n3)c1)C2 ZINC000821670011 606895285 /nfs/dbraw/zinc/89/52/85/606895285.db2.gz IUSMRASPDMQCPS-UHFFFAOYSA-N 1 2 379.420 2.438 20 0 GEADLO O[C@@H](C[N@H+](Cc1cc[nH]n1)Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672139 606898322 /nfs/dbraw/zinc/89/83/22/606898322.db2.gz BHYITQLKIVCUAY-IBGZPJMESA-N 1 2 375.436 2.326 20 0 GEADLO O[C@@H](C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672139 606898323 /nfs/dbraw/zinc/89/83/23/606898323.db2.gz BHYITQLKIVCUAY-IBGZPJMESA-N 1 2 375.436 2.326 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820570378 606902366 /nfs/dbraw/zinc/90/23/66/606902366.db2.gz IPZPCGYDRKSBGO-QGZVFWFLSA-N 1 2 393.495 2.409 20 0 GEADLO CC(C)c1nc(C2([NH2+]C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCCC2)no1 ZINC000820203063 606904702 /nfs/dbraw/zinc/90/47/02/606904702.db2.gz PGPYTLYWUVLKMU-HNNXBMFYSA-N 1 2 383.456 2.466 20 0 GEADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000823673356 606915617 /nfs/dbraw/zinc/91/56/17/606915617.db2.gz LGYAHXFGBXITNN-IEBWSBKVSA-N 1 2 383.427 2.330 20 0 GEADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000823673356 606915618 /nfs/dbraw/zinc/91/56/18/606915618.db2.gz LGYAHXFGBXITNN-IEBWSBKVSA-N 1 2 383.427 2.330 20 0 GEADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000823673357 606915767 /nfs/dbraw/zinc/91/57/67/606915767.db2.gz LGYAHXFGBXITNN-MJGOQNOKSA-N 1 2 383.427 2.330 20 0 GEADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000823673357 606915769 /nfs/dbraw/zinc/91/57/69/606915769.db2.gz LGYAHXFGBXITNN-MJGOQNOKSA-N 1 2 383.427 2.330 20 0 GEADLO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000822194087 606919867 /nfs/dbraw/zinc/91/98/67/606919867.db2.gz ICOCZJRFSOKJFZ-SFHVURJKSA-N 1 2 394.479 2.396 20 0 GEADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000822194087 606919868 /nfs/dbraw/zinc/91/98/68/606919868.db2.gz ICOCZJRFSOKJFZ-SFHVURJKSA-N 1 2 394.479 2.396 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)OC(C)(C)C ZINC000820760970 606976201 /nfs/dbraw/zinc/97/62/01/606976201.db2.gz UVYLSHCMTDJDNR-GFCCVEGCSA-N 1 2 376.436 2.447 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C(=O)OC(C)(C)C ZINC000820760970 606976202 /nfs/dbraw/zinc/97/62/02/606976202.db2.gz UVYLSHCMTDJDNR-GFCCVEGCSA-N 1 2 376.436 2.447 20 0 GEADLO CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC000820196754 607046906 /nfs/dbraw/zinc/04/69/06/607046906.db2.gz BZMTZEGCNOUQRH-INIZCTEOSA-N 1 2 395.467 2.325 20 0 GEADLO CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC000820196754 607046908 /nfs/dbraw/zinc/04/69/08/607046908.db2.gz BZMTZEGCNOUQRH-INIZCTEOSA-N 1 2 395.467 2.325 20 0 GEADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822497021 607092414 /nfs/dbraw/zinc/09/24/14/607092414.db2.gz WLHKNMBKIWEOFL-INIZCTEOSA-N 1 2 391.439 2.296 20 0 GEADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822497021 607092416 /nfs/dbraw/zinc/09/24/16/607092416.db2.gz WLHKNMBKIWEOFL-INIZCTEOSA-N 1 2 391.439 2.296 20 0 GEADLO C[C@@H]1CCN(C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000820717575 607092689 /nfs/dbraw/zinc/09/26/89/607092689.db2.gz SSYYNALLOKTPIT-PBHICJAKSA-N 1 2 397.508 2.406 20 0 GEADLO C[C@H]1CCN(C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000820717579 607092926 /nfs/dbraw/zinc/09/29/26/607092926.db2.gz SSYYNALLOKTPIT-YOEHRIQHSA-N 1 2 397.508 2.406 20 0 GEADLO C[C@@H]1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000820717288 607093065 /nfs/dbraw/zinc/09/30/65/607093065.db2.gz OYDSUAOROZFLNC-CJNGLKHVSA-N 1 2 383.481 2.265 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ncc(-c4nn[nH]n4)s3)cc2)C[C@H](C)O1 ZINC000820759154 607108379 /nfs/dbraw/zinc/10/83/79/607108379.db2.gz HXLBYVAGIWRRFI-TXEJJXNPSA-N 1 2 399.480 2.185 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ncc(-c4nn[nH]n4)s3)cc2)C[C@H](C)O1 ZINC000820759154 607108381 /nfs/dbraw/zinc/10/83/81/607108381.db2.gz HXLBYVAGIWRRFI-TXEJJXNPSA-N 1 2 399.480 2.185 20 0 GEADLO Cc1sc(NC(=O)C[N@H+](C)CCc2nccs2)c(-c2nn[nH]n2)c1C ZINC000826349588 607802536 /nfs/dbraw/zinc/80/25/36/607802536.db2.gz NFKCWRODBSJADQ-UHFFFAOYSA-N 1 2 377.499 2.115 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+](C)CCc2nccs2)c(-c2nn[nH]n2)c1C ZINC000826349588 607802537 /nfs/dbraw/zinc/80/25/37/607802537.db2.gz NFKCWRODBSJADQ-UHFFFAOYSA-N 1 2 377.499 2.115 20 0 GEADLO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000826368061 607810437 /nfs/dbraw/zinc/81/04/37/607810437.db2.gz AGRIQXJUORUVPQ-JTQLQIEISA-N 1 2 376.346 2.366 20 0 GEADLO C[C@H]1COCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000825006527 607822725 /nfs/dbraw/zinc/82/27/25/607822725.db2.gz KYZCBJLKHUKKQN-SNVBAGLBSA-N 1 2 376.367 2.489 20 0 GEADLO O=S(=O)(CC[N@H+](CCc1ccccc1)C1CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484708 607828413 /nfs/dbraw/zinc/82/84/13/607828413.db2.gz MKGVCJQDDAXOBB-UHFFFAOYSA-N 1 2 397.504 2.348 20 0 GEADLO O=S(=O)(CC[N@@H+](CCc1ccccc1)C1CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484708 607828414 /nfs/dbraw/zinc/82/84/14/607828414.db2.gz MKGVCJQDDAXOBB-UHFFFAOYSA-N 1 2 397.504 2.348 20 0 GEADLO CC(C)(CNC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)[NH+]1CCOCC1 ZINC000824158412 607832730 /nfs/dbraw/zinc/83/27/30/607832730.db2.gz WDTLDAVBUMJTKH-UHFFFAOYSA-N 1 2 399.282 2.014 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826029209 607849666 /nfs/dbraw/zinc/84/96/66/607849666.db2.gz QPGNKDPNYPHXMQ-UKRRQHHQSA-N 1 2 389.822 2.163 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826029209 607849667 /nfs/dbraw/zinc/84/96/67/607849667.db2.gz QPGNKDPNYPHXMQ-UKRRQHHQSA-N 1 2 389.822 2.163 20 0 GEADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736293245 608065142 /nfs/dbraw/zinc/06/51/42/608065142.db2.gz SLMXLIGAQHGIBD-AWEZNQCLSA-N 1 2 388.472 2.187 20 0 GEADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736293245 608065143 /nfs/dbraw/zinc/06/51/43/608065143.db2.gz SLMXLIGAQHGIBD-AWEZNQCLSA-N 1 2 388.472 2.187 20 0 GEADLO O[C@@H](C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)cc1F ZINC000826503066 608069369 /nfs/dbraw/zinc/06/93/69/608069369.db2.gz PXGGYPUBCTUDTO-ROUUACIJSA-N 1 2 387.390 2.252 20 0 GEADLO O[C@@H](C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)cc1F ZINC000826503066 608069370 /nfs/dbraw/zinc/06/93/70/608069370.db2.gz PXGGYPUBCTUDTO-ROUUACIJSA-N 1 2 387.390 2.252 20 0 GEADLO c1ccc2c(c1)OC[C@H](C[N@@H+]1CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C1)O2 ZINC000826513887 608071398 /nfs/dbraw/zinc/07/13/98/608071398.db2.gz ZGCVDMKASFTOTA-QFBILLFUSA-N 1 2 379.420 2.080 20 0 GEADLO c1ccc2c(c1)OC[C@H](C[N@H+]1CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C1)O2 ZINC000826513887 608071399 /nfs/dbraw/zinc/07/13/99/608071399.db2.gz ZGCVDMKASFTOTA-QFBILLFUSA-N 1 2 379.420 2.080 20 0 GEADLO Fc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000826373264 608087088 /nfs/dbraw/zinc/08/70/88/608087088.db2.gz GENXZWZKYGQOMO-UHFFFAOYSA-N 1 2 392.442 2.200 20 0 GEADLO O=C1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CCN1c1ccc(Cl)c(F)c1 ZINC000826476247 608114230 /nfs/dbraw/zinc/11/42/30/608114230.db2.gz DGOVOAAEKODTLY-ZDUSSCGKSA-N 1 2 376.779 2.147 20 0 GEADLO CN(C[C@@H](O)C1CC1)c1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000825901156 608122679 /nfs/dbraw/zinc/12/26/79/608122679.db2.gz BUZZIANBFZHUDG-CQSZACIVSA-N 1 2 376.367 2.223 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1Cn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000826185115 608151085 /nfs/dbraw/zinc/15/10/85/608151085.db2.gz ZAUSKHAIAMYUBE-GFCCVEGCSA-N 1 2 379.424 2.066 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc(F)c1Cl ZINC000825000378 608258016 /nfs/dbraw/zinc/25/80/16/608258016.db2.gz PDBYTXSJZWMPHZ-LLVKDONJSA-N 1 2 388.838 2.160 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cccc(F)c1Cl ZINC000825000378 608258017 /nfs/dbraw/zinc/25/80/17/608258017.db2.gz PDBYTXSJZWMPHZ-LLVKDONJSA-N 1 2 388.838 2.160 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1-c1nn[nH]n1 ZINC000826194353 608258569 /nfs/dbraw/zinc/25/85/69/608258569.db2.gz KAHCJMNDTKVTPJ-AWEZNQCLSA-N 1 2 380.456 2.250 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1-c1nn[nH]n1 ZINC000826194353 608258570 /nfs/dbraw/zinc/25/85/70/608258570.db2.gz KAHCJMNDTKVTPJ-AWEZNQCLSA-N 1 2 380.456 2.250 20 0 GEADLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000825394669 608352166 /nfs/dbraw/zinc/35/21/66/608352166.db2.gz GNCGBSAFGPHAFZ-UHFFFAOYSA-N 1 2 398.442 2.153 20 0 GEADLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000825394669 608352168 /nfs/dbraw/zinc/35/21/68/608352168.db2.gz GNCGBSAFGPHAFZ-UHFFFAOYSA-N 1 2 398.442 2.153 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@H](c2nncn2C)C1 ZINC000826304275 608365944 /nfs/dbraw/zinc/36/59/44/608365944.db2.gz FKLZEMXJQYDJKV-ZDUSSCGKSA-N 1 2 375.440 2.236 20 0 GEADLO CCc1cc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)[nH]n1 ZINC000825700821 608378828 /nfs/dbraw/zinc/37/88/28/608378828.db2.gz UKLQXEOHAUROIY-UHFFFAOYSA-N 1 2 386.366 2.336 20 0 GEADLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1OC(F)F ZINC000824529304 608434505 /nfs/dbraw/zinc/43/45/05/608434505.db2.gz GASRCGLHWTYYCW-MEBBXXQBSA-N 1 2 388.378 2.345 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(-c2nn[nH]n2)c1C ZINC000826342099 608454034 /nfs/dbraw/zinc/45/40/34/608454034.db2.gz YDASXSFXKVJQCP-OSAQELSMSA-N 1 2 398.471 2.183 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(-c2nn[nH]n2)c1C ZINC000826342099 608454035 /nfs/dbraw/zinc/45/40/35/608454035.db2.gz YDASXSFXKVJQCP-OSAQELSMSA-N 1 2 398.471 2.183 20 0 GEADLO c1coc(C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@H]2CCCO2)c1 ZINC000826526467 608626734 /nfs/dbraw/zinc/62/67/34/608626734.db2.gz ZUGNXPATMRLFBT-QGZVFWFLSA-N 1 2 379.424 2.289 20 0 GEADLO CC1(C)C(=O)NCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000824784515 608677571 /nfs/dbraw/zinc/67/75/71/608677571.db2.gz VSNXAJRVENBRQS-UHFFFAOYSA-N 1 2 392.463 2.156 20 0 GEADLO CC1(C)C(=O)NCC[N@@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000824784515 608677572 /nfs/dbraw/zinc/67/75/72/608677572.db2.gz VSNXAJRVENBRQS-UHFFFAOYSA-N 1 2 392.463 2.156 20 0 GEADLO c1ccc(C[NH+]2CCN(CCCCNc3cnccc3-c3nn[nH]n3)CC2)cc1 ZINC000826521133 608776351 /nfs/dbraw/zinc/77/63/51/608776351.db2.gz AUXUWYRTGOEMDY-UHFFFAOYSA-N 1 2 392.511 2.272 20 0 GEADLO CN(C)c1ccc(NCc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)[nH+]c1 ZINC000825879430 609343090 /nfs/dbraw/zinc/34/30/90/609343090.db2.gz NHAUMNKPWALQSN-UHFFFAOYSA-N 1 2 375.440 2.340 20 0 GEADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H](C)O1 ZINC000824991439 609439515 /nfs/dbraw/zinc/43/95/15/609439515.db2.gz BBPVNOUTGBIQCP-CHWSQXEVSA-N 1 2 381.440 2.056 20 0 GEADLO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826290146 609611198 /nfs/dbraw/zinc/61/11/98/609611198.db2.gz CMHHIOVSVRDFJB-MRXNPFEDSA-N 1 2 391.479 2.324 20 0 GEADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cc(Cl)sc2Cl)CC1 ZINC000449024026 650030132 /nfs/dbraw/zinc/03/01/32/650030132.db2.gz XHHNACXILKWUIF-GFCCVEGCSA-N 1 2 392.352 2.420 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cccc(Br)c3F)C2)nn1 ZINC000449243647 650035814 /nfs/dbraw/zinc/03/58/14/650035814.db2.gz MESFEERZDZPBHP-LLVKDONJSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cccc(Br)c3F)C2)nn1 ZINC000449243647 650035819 /nfs/dbraw/zinc/03/58/19/650035819.db2.gz MESFEERZDZPBHP-LLVKDONJSA-N 1 2 383.221 2.413 20 0 GEADLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000450248814 650062846 /nfs/dbraw/zinc/06/28/46/650062846.db2.gz UPPANBIAQKJGSY-NSHDSACASA-N 1 2 376.404 2.286 20 0 GEADLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000450248814 650062847 /nfs/dbraw/zinc/06/28/47/650062847.db2.gz UPPANBIAQKJGSY-NSHDSACASA-N 1 2 376.404 2.286 20 0 GEADLO COC[C@]1(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)CCOC1 ZINC000450595259 650067676 /nfs/dbraw/zinc/06/76/76/650067676.db2.gz KDZKWXZHPMAAFQ-QGZVFWFLSA-N 1 2 396.285 2.117 20 0 GEADLO C[C@H]1CN(CC(F)(F)F)CCN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000450876105 650073372 /nfs/dbraw/zinc/07/33/72/650073372.db2.gz RUZJWAXODIILCW-ZDUSSCGKSA-N 1 2 375.464 2.350 20 0 GEADLO C[C@H](O)CCSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000450807408 650070793 /nfs/dbraw/zinc/07/07/93/650070793.db2.gz GDJANAZRLQCTNN-ZDUSSCGKSA-N 1 2 383.539 2.043 20 0 GEADLO O=S(=O)(Cc1c(F)cccc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000451200699 650096052 /nfs/dbraw/zinc/09/60/52/650096052.db2.gz SXVIMSWYHAUKTF-CQSZACIVSA-N 1 2 390.908 2.353 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)Cc2c(F)cccc2Cl)CC[N@@H+]1CCOC ZINC000451206254 650096424 /nfs/dbraw/zinc/09/64/24/650096424.db2.gz DHHFJPLMQGNZAO-CYBMUJFWSA-N 1 2 378.897 2.352 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)Cc2c(F)cccc2Cl)CC[N@H+]1CCOC ZINC000451206254 650096427 /nfs/dbraw/zinc/09/64/27/650096427.db2.gz DHHFJPLMQGNZAO-CYBMUJFWSA-N 1 2 378.897 2.352 20 0 GEADLO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000451276138 650100231 /nfs/dbraw/zinc/10/02/31/650100231.db2.gz JWHNXHMQUWEBIR-DYVFJYSZSA-N 1 2 397.313 2.070 20 0 GEADLO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1CC[N@H+]1CCO[C@H](C)C1 ZINC000451276138 650100233 /nfs/dbraw/zinc/10/02/33/650100233.db2.gz JWHNXHMQUWEBIR-DYVFJYSZSA-N 1 2 397.313 2.070 20 0 GEADLO C[N@@H+]1CCN(CCNC(=O)c2cc(Br)c(F)cc2O)CC1(C)C ZINC000451452427 650115651 /nfs/dbraw/zinc/11/56/51/650115651.db2.gz MPWFAAUIPOZYRE-UHFFFAOYSA-N 1 2 388.281 2.050 20 0 GEADLO C[N@H+]1CCN(CCNC(=O)c2cc(Br)c(F)cc2O)CC1(C)C ZINC000451452427 650115653 /nfs/dbraw/zinc/11/56/53/650115653.db2.gz MPWFAAUIPOZYRE-UHFFFAOYSA-N 1 2 388.281 2.050 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451575422 650126966 /nfs/dbraw/zinc/12/69/66/650126966.db2.gz XVLCQEZGTLMNMD-AWEZNQCLSA-N 1 2 383.286 2.260 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451575422 650126969 /nfs/dbraw/zinc/12/69/69/650126969.db2.gz XVLCQEZGTLMNMD-AWEZNQCLSA-N 1 2 383.286 2.260 20 0 GEADLO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000452045755 650168892 /nfs/dbraw/zinc/16/88/92/650168892.db2.gz GODJKPOHWNODHL-UHFFFAOYSA-N 1 2 395.903 2.313 20 0 GEADLO O=C(C[NH2+][C@@H]1CCn2ccnc21)Nc1ccc(I)cc1 ZINC000453208011 650206989 /nfs/dbraw/zinc/20/69/89/650206989.db2.gz IYTHHKJTKOMXRZ-GFCCVEGCSA-N 1 2 382.205 2.161 20 0 GEADLO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000453715602 650219383 /nfs/dbraw/zinc/21/93/83/650219383.db2.gz LNWBQPUDALESRQ-NSHDSACASA-N 1 2 397.660 2.369 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@@]2(CCSC2)C1 ZINC000454371553 650264503 /nfs/dbraw/zinc/26/45/03/650264503.db2.gz YOKIVEHEMVUMTB-MSOLQXFVSA-N 1 2 385.599 2.123 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000456479064 650341871 /nfs/dbraw/zinc/34/18/71/650341871.db2.gz FLNIVNPFRGIHTO-LLVKDONJSA-N 1 2 384.249 2.211 20 0 GEADLO CNC(=O)C[C@@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000456502457 650343498 /nfs/dbraw/zinc/34/34/98/650343498.db2.gz JDRCQHJKYLAXBH-MLGOLLRUSA-N 1 2 382.302 2.227 20 0 GEADLO Cc1ccc(C[C@@H](CO)CNC(=O)CCc2[nH]cc[nH+]2)cc1Br ZINC000456509132 650344955 /nfs/dbraw/zinc/34/49/55/650344955.db2.gz XONPDRACFDCCCI-CQSZACIVSA-N 1 2 380.286 2.381 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458111626 650395586 /nfs/dbraw/zinc/39/55/86/650395586.db2.gz OXORPQDLNMJHGL-GFCCVEGCSA-N 1 2 384.249 2.130 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458120407 650396204 /nfs/dbraw/zinc/39/62/04/650396204.db2.gz XEAVAIPQIPNAGB-LBPRGKRZSA-N 1 2 384.249 2.211 20 0 GEADLO CSc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)[NH+](C)C)cc1 ZINC000458894374 650413528 /nfs/dbraw/zinc/41/35/28/650413528.db2.gz MZTVUZDSAVDBMC-XJKSGUPXSA-N 1 2 387.571 2.086 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000503801894 650422555 /nfs/dbraw/zinc/42/25/55/650422555.db2.gz WPMMJRZDNIRLOX-UWVGGRQHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000503801894 650422557 /nfs/dbraw/zinc/42/25/57/650422557.db2.gz WPMMJRZDNIRLOX-UWVGGRQHSA-N 1 2 395.294 2.310 20 0 GEADLO CCOc1cc(C[N@H+](C)CC(=O)NCCCOC)cc(Br)c1O ZINC000459293679 650421956 /nfs/dbraw/zinc/42/19/56/650421956.db2.gz BWCPFKMZVBIVKK-UHFFFAOYSA-N 1 2 389.290 2.138 20 0 GEADLO CCOc1cc(C[N@@H+](C)CC(=O)NCCCOC)cc(Br)c1O ZINC000459293679 650421957 /nfs/dbraw/zinc/42/19/57/650421957.db2.gz BWCPFKMZVBIVKK-UHFFFAOYSA-N 1 2 389.290 2.138 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cccc(O)c1Br ZINC000459301792 650422047 /nfs/dbraw/zinc/42/20/47/650422047.db2.gz LILVLKYTSLUQMN-ZDUSSCGKSA-N 1 2 391.331 2.449 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cccc(O)c1Br ZINC000459301792 650422049 /nfs/dbraw/zinc/42/20/49/650422049.db2.gz LILVLKYTSLUQMN-ZDUSSCGKSA-N 1 2 391.331 2.449 20 0 GEADLO COC(=O)c1ccc(N2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)s1 ZINC000459510015 650426706 /nfs/dbraw/zinc/42/67/06/650426706.db2.gz LLNAMMLEPHIPKW-RUZDIDTESA-N 1 2 378.519 2.465 20 0 GEADLO CCO[C@@H]1C[C@H]([NH2+]Cc2nn(C)cc2I)[C@H]1SC ZINC000459562436 650428747 /nfs/dbraw/zinc/42/87/47/650428747.db2.gz CMYMCFLWRWZFLF-MVWJERBFSA-N 1 2 381.283 2.023 20 0 GEADLO CCCOc1c(Br)cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1OCC ZINC000459715979 650430804 /nfs/dbraw/zinc/43/08/04/650430804.db2.gz VLPQQTVZBAILBI-UKRRQHHQSA-N 1 2 388.302 2.422 20 0 GEADLO CCCOc1c(Br)cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)cc1OCC ZINC000459715979 650430806 /nfs/dbraw/zinc/43/08/06/650430806.db2.gz VLPQQTVZBAILBI-UKRRQHHQSA-N 1 2 388.302 2.422 20 0 GEADLO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000459927641 650435498 /nfs/dbraw/zinc/43/54/98/650435498.db2.gz AKSUZFUQFYYJBR-UHFFFAOYSA-N 1 2 394.313 2.023 20 0 GEADLO CN(CC(=O)Nc1cccc2[nH+]ccn21)C(=O)c1ccc(Br)o1 ZINC000460337462 650441953 /nfs/dbraw/zinc/44/19/53/650441953.db2.gz XQFUNBTXIAUUAK-UHFFFAOYSA-N 1 2 377.198 2.401 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000507964336 650470873 /nfs/dbraw/zinc/47/08/73/650470873.db2.gz JQUPSEHFLQEUIT-UWVGGRQHSA-N 1 2 377.869 2.151 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1Cl ZINC000507964336 650470874 /nfs/dbraw/zinc/47/08/74/650470874.db2.gz JQUPSEHFLQEUIT-UWVGGRQHSA-N 1 2 377.869 2.151 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1Br ZINC000508862923 650484127 /nfs/dbraw/zinc/48/41/27/650484127.db2.gz ZTPCZJRXDCDFKV-ZDUSSCGKSA-N 1 2 391.331 2.232 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000462468828 650480993 /nfs/dbraw/zinc/48/09/93/650480993.db2.gz PEPFQRVWKVNSQT-AWEZNQCLSA-N 1 2 386.857 2.301 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCOc1ccccc1Br ZINC000508862923 650484128 /nfs/dbraw/zinc/48/41/28/650484128.db2.gz ZTPCZJRXDCDFKV-ZDUSSCGKSA-N 1 2 391.331 2.232 20 0 GEADLO C[NH+]1CCN(C(=O)c2cc(NCc3csc(Br)c3)ccn2)CC1 ZINC000508485293 650481216 /nfs/dbraw/zinc/48/12/16/650481216.db2.gz XEQVXIKPKSEECI-UHFFFAOYSA-N 1 2 395.326 2.327 20 0 GEADLO CCCCN(CCCC)S(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000462577166 650484870 /nfs/dbraw/zinc/48/48/70/650484870.db2.gz RQFNVRJOQPSDAU-SFHVURJKSA-N 1 2 375.579 2.320 20 0 GEADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)Cc3ccc(Cl)s3)ccn2)CC1 ZINC000509299906 650492910 /nfs/dbraw/zinc/49/29/10/650492910.db2.gz DMOLTVYLSBQAQY-UHFFFAOYSA-N 1 2 378.885 2.365 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000463353876 650493990 /nfs/dbraw/zinc/49/39/90/650493990.db2.gz KHGBUDZEIBXTFK-UHFFFAOYSA-N 1 2 386.945 2.403 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511064120 650524678 /nfs/dbraw/zinc/52/46/78/650524678.db2.gz JMZRNEHDDJYUPL-KGLIPLIRSA-N 1 2 387.933 2.270 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511064120 650524684 /nfs/dbraw/zinc/52/46/84/650524684.db2.gz JMZRNEHDDJYUPL-KGLIPLIRSA-N 1 2 387.933 2.270 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511091657 650525749 /nfs/dbraw/zinc/52/57/49/650525749.db2.gz MWTLRAFXYUSZPN-AWEZNQCLSA-N 1 2 387.933 2.190 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511091657 650525752 /nfs/dbraw/zinc/52/57/52/650525752.db2.gz MWTLRAFXYUSZPN-AWEZNQCLSA-N 1 2 387.933 2.190 20 0 GEADLO Cc1cc(Br)ccc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000473990474 650526333 /nfs/dbraw/zinc/52/63/33/650526333.db2.gz VRTPGGUTIJRSIB-MRXNPFEDSA-N 1 2 397.313 2.321 20 0 GEADLO O=C(c1ccccc1Br)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000473988901 650526470 /nfs/dbraw/zinc/52/64/70/650526470.db2.gz JHIJRAFOLJDQBO-AWEZNQCLSA-N 1 2 383.286 2.012 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)[C@H](C)C1 ZINC000511241774 650530276 /nfs/dbraw/zinc/53/02/76/650530276.db2.gz LEPIBOSEGFNABI-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)[C@H](C)C1 ZINC000511241774 650530278 /nfs/dbraw/zinc/53/02/78/650530278.db2.gz LEPIBOSEGFNABI-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)[C@@H](C)C1 ZINC000511306051 650532824 /nfs/dbraw/zinc/53/28/24/650532824.db2.gz IESFZCCUUNWBFU-LBPRGKRZSA-N 1 2 391.331 2.481 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)[C@@H](C)C1 ZINC000511306051 650532828 /nfs/dbraw/zinc/53/28/28/650532828.db2.gz IESFZCCUUNWBFU-LBPRGKRZSA-N 1 2 391.331 2.481 20 0 GEADLO CS(=O)(=O)C1(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000475433700 650533363 /nfs/dbraw/zinc/53/33/63/650533363.db2.gz JVNZNWBLFCLKMO-UHFFFAOYSA-N 1 2 375.281 2.241 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)[C@H](C)C1 ZINC000511348226 650534605 /nfs/dbraw/zinc/53/46/05/650534605.db2.gz VSUHNJSXGCGUHW-CQSZACIVSA-N 1 2 390.933 2.470 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)[C@H](C)C1 ZINC000511348226 650534607 /nfs/dbraw/zinc/53/46/07/650534607.db2.gz VSUHNJSXGCGUHW-CQSZACIVSA-N 1 2 390.933 2.470 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1cc(F)c(Br)cc1F ZINC000511699875 650541154 /nfs/dbraw/zinc/54/11/54/650541154.db2.gz AWAZCILISZMWKH-UHFFFAOYSA-N 1 2 399.195 2.289 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(F)c(Br)cc2Cl)CC[N@@H+]1CCO ZINC000476843890 650561011 /nfs/dbraw/zinc/56/10/11/650561011.db2.gz HJIZZYOTYOXCGY-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(F)c(Br)cc2Cl)CC[N@H+]1CCO ZINC000476843890 650561013 /nfs/dbraw/zinc/56/10/13/650561013.db2.gz HJIZZYOTYOXCGY-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)c2c(C)nc3ccc(Br)cn32)CCO1 ZINC000477090578 650568058 /nfs/dbraw/zinc/56/80/58/650568058.db2.gz QVYYDTCQJYQCEC-AWEZNQCLSA-N 1 2 395.301 2.246 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)c2c(C)nc3ccc(Br)cn32)CCO1 ZINC000477090578 650568060 /nfs/dbraw/zinc/56/80/60/650568060.db2.gz QVYYDTCQJYQCEC-AWEZNQCLSA-N 1 2 395.301 2.246 20 0 GEADLO C[NH+](C)CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000477576812 650576129 /nfs/dbraw/zinc/57/61/29/650576129.db2.gz ICCOMBPCBWSHTD-UHFFFAOYSA-N 1 2 383.857 2.347 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)N(CCO)Cc1ccc(Br)s1 ZINC000478465935 650586186 /nfs/dbraw/zinc/58/61/86/650586186.db2.gz CRIWOTBQCVAUBT-UHFFFAOYSA-N 1 2 387.303 2.301 20 0 GEADLO Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c(Br)c1 ZINC000478895097 650592765 /nfs/dbraw/zinc/59/27/65/650592765.db2.gz LCPAWDLEZLYONM-OAHLLOKOSA-N 1 2 397.313 2.321 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000480766819 650631587 /nfs/dbraw/zinc/63/15/87/650631587.db2.gz FUJURTIHFVUHPC-UHFFFAOYSA-N 1 2 389.315 2.306 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000480766819 650631588 /nfs/dbraw/zinc/63/15/88/650631588.db2.gz FUJURTIHFVUHPC-UHFFFAOYSA-N 1 2 389.315 2.306 20 0 GEADLO O=S(=O)(NCC[N@H+]1CC=CCC1)c1cc(F)c(Br)cc1F ZINC000480797159 650632442 /nfs/dbraw/zinc/63/24/42/650632442.db2.gz SDTUATQWXFCSKP-UHFFFAOYSA-N 1 2 381.242 2.268 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CC=CCC1)c1cc(F)c(Br)cc1F ZINC000480797159 650632444 /nfs/dbraw/zinc/63/24/44/650632444.db2.gz SDTUATQWXFCSKP-UHFFFAOYSA-N 1 2 381.242 2.268 20 0 GEADLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000480837166 650634198 /nfs/dbraw/zinc/63/41/98/650634198.db2.gz JMDODDVDMQSLOY-AMIZOPFISA-N 1 2 395.269 2.488 20 0 GEADLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000480837166 650634200 /nfs/dbraw/zinc/63/42/00/650634200.db2.gz JMDODDVDMQSLOY-AMIZOPFISA-N 1 2 395.269 2.488 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)CCO1 ZINC000523763133 650638142 /nfs/dbraw/zinc/63/81/42/650638142.db2.gz IWKNETSHXHCDMA-XVSDVWIESA-N 1 2 393.325 2.490 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)CCO1 ZINC000523763133 650638144 /nfs/dbraw/zinc/63/81/44/650638144.db2.gz IWKNETSHXHCDMA-XVSDVWIESA-N 1 2 393.325 2.490 20 0 GEADLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000524594426 650643623 /nfs/dbraw/zinc/64/36/23/650643623.db2.gz LQMNYXKKLDSOGZ-WCQYABFASA-N 1 2 391.693 2.053 20 0 GEADLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000524594426 650643627 /nfs/dbraw/zinc/64/36/27/650643627.db2.gz LQMNYXKKLDSOGZ-WCQYABFASA-N 1 2 391.693 2.053 20 0 GEADLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000524594425 650643660 /nfs/dbraw/zinc/64/36/60/650643660.db2.gz LQMNYXKKLDSOGZ-DGCLKSJQSA-N 1 2 391.693 2.053 20 0 GEADLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000524594425 650643663 /nfs/dbraw/zinc/64/36/63/650643663.db2.gz LQMNYXKKLDSOGZ-DGCLKSJQSA-N 1 2 391.693 2.053 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000525400758 650654323 /nfs/dbraw/zinc/65/43/23/650654323.db2.gz YTKOLVINNIWNCU-ZBFHGGJFSA-N 1 2 387.571 2.207 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000525437616 650655014 /nfs/dbraw/zinc/65/50/14/650655014.db2.gz UREJUGGXEOXGTL-ZDUSSCGKSA-N 1 2 382.302 2.458 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000525437616 650655015 /nfs/dbraw/zinc/65/50/15/650655015.db2.gz UREJUGGXEOXGTL-ZDUSSCGKSA-N 1 2 382.302 2.458 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CC1 ZINC000527062737 650667581 /nfs/dbraw/zinc/66/75/81/650667581.db2.gz IWQBIHBNDFSNTO-UHFFFAOYSA-N 1 2 394.191 2.180 20 0 GEADLO COC(=O)C(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000527218694 650671588 /nfs/dbraw/zinc/67/15/88/650671588.db2.gz YMYNTKFCLKDWJH-UHFFFAOYSA-N 1 2 388.917 2.236 20 0 GEADLO C[C@H](CO)[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)CC1CCC1 ZINC000483147658 650675134 /nfs/dbraw/zinc/67/51/34/650675134.db2.gz KQUKOOMPQATPDQ-GFCCVEGCSA-N 1 2 388.917 2.165 20 0 GEADLO C[C@H](CO)[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)CC1CCC1 ZINC000483147658 650675136 /nfs/dbraw/zinc/67/51/36/650675136.db2.gz KQUKOOMPQATPDQ-GFCCVEGCSA-N 1 2 388.917 2.165 20 0 GEADLO C[C@@H](CO)[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)CC1CCC1 ZINC000483147660 650675141 /nfs/dbraw/zinc/67/51/41/650675141.db2.gz KQUKOOMPQATPDQ-LBPRGKRZSA-N 1 2 388.917 2.165 20 0 GEADLO C[C@@H](CO)[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)CC1CCC1 ZINC000483147660 650675143 /nfs/dbraw/zinc/67/51/43/650675143.db2.gz KQUKOOMPQATPDQ-LBPRGKRZSA-N 1 2 388.917 2.165 20 0 GEADLO C[N@H+](CCCN1CCOCC1)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483344955 650677135 /nfs/dbraw/zinc/67/71/35/650677135.db2.gz SNDZWPOUGNTIBR-UHFFFAOYSA-N 1 2 394.317 2.184 20 0 GEADLO C[N@@H+](CCCN1CCOCC1)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483344955 650677137 /nfs/dbraw/zinc/67/71/37/650677137.db2.gz SNDZWPOUGNTIBR-UHFFFAOYSA-N 1 2 394.317 2.184 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCc3ccc(F)c(Br)c3C2)C1 ZINC000527625721 650681234 /nfs/dbraw/zinc/68/12/34/650681234.db2.gz VWTJQXHVKDSHCR-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCc3ccc(F)c(Br)c3C2)C1 ZINC000527625721 650681236 /nfs/dbraw/zinc/68/12/36/650681236.db2.gz VWTJQXHVKDSHCR-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000484264263 650686681 /nfs/dbraw/zinc/68/66/81/650686681.db2.gz VDYBZRNJELUTRA-SECBINFHSA-N 1 2 397.660 2.369 20 0 GEADLO COCCCS(=O)(=O)NCC[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000485879709 650701727 /nfs/dbraw/zinc/70/17/27/650701727.db2.gz GXLUTDGKUZRLPK-UHFFFAOYSA-N 1 2 376.469 2.100 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000486090885 650707131 /nfs/dbraw/zinc/70/71/31/650707131.db2.gz ORFGQHACNGPNIK-UHFFFAOYSA-N 1 2 389.949 2.043 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NCC1(CS(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000530994029 650732599 /nfs/dbraw/zinc/73/25/99/650732599.db2.gz KYMLCLYTQDFARB-OAHLLOKOSA-N 1 2 387.933 2.067 20 0 GEADLO CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531079804 650734455 /nfs/dbraw/zinc/73/44/55/650734455.db2.gz MUMQTHRHPIUZLJ-XJKSGUPXSA-N 1 2 387.933 2.019 20 0 GEADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531079536 650734577 /nfs/dbraw/zinc/73/45/77/650734577.db2.gz CLOUFHWMEHOLTM-XJKCOSOUSA-N 1 2 389.949 2.406 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488188369 650742292 /nfs/dbraw/zinc/74/22/92/650742292.db2.gz XNPVNTSBFFPHMQ-UHFFFAOYSA-N 1 2 395.301 2.232 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488188369 650742299 /nfs/dbraw/zinc/74/22/99/650742299.db2.gz XNPVNTSBFFPHMQ-UHFFFAOYSA-N 1 2 395.301 2.232 20 0 GEADLO COC(=O)c1c2c(sc1NC(=O)CSc1nc(N)cc(C)[nH+]1)CCC2 ZINC000022089462 642403390 /nfs/dbraw/zinc/40/33/90/642403390.db2.gz ZEVLWOGCBGJOMX-UHFFFAOYSA-N 1 2 378.479 2.435 20 0 GEADLO C[N@H+](CC(=O)NNC(=O)c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000023324097 642411680 /nfs/dbraw/zinc/41/16/80/642411680.db2.gz HGLCUANHMWVVHJ-UHFFFAOYSA-N 1 2 394.244 2.481 20 0 GEADLO C[N@@H+](CC(=O)NNC(=O)c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000023324097 642411685 /nfs/dbraw/zinc/41/16/85/642411685.db2.gz HGLCUANHMWVVHJ-UHFFFAOYSA-N 1 2 394.244 2.481 20 0 GEADLO O=S(=O)(NCC[NH+]1CCSCC1)c1cccc(OC(F)(F)F)c1F ZINC000489262608 650756693 /nfs/dbraw/zinc/75/66/93/650756693.db2.gz IZVRZMXTANLBJM-UHFFFAOYSA-N 1 2 388.408 2.051 20 0 GEADLO NC(=O)N[C@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccs1 ZINC000041975617 642537927 /nfs/dbraw/zinc/53/79/27/642537927.db2.gz BVQURAZQDBYOAP-CQSZACIVSA-N 1 2 378.523 2.254 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000041993387 642538516 /nfs/dbraw/zinc/53/85/16/642538516.db2.gz DDZMHDJXOOTSOK-SECBINFHSA-N 1 2 385.649 2.442 20 0 GEADLO COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000042005057 642538730 /nfs/dbraw/zinc/53/87/30/642538730.db2.gz KXUPNURVVOGOIW-STQMWFEESA-N 1 2 376.906 2.126 20 0 GEADLO O=C(NCCc1ccc(Cl)cc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000042344304 642550977 /nfs/dbraw/zinc/55/09/77/642550977.db2.gz KPPSUSPBSSZGTR-GOSISDBHSA-N 1 2 383.945 2.390 20 0 GEADLO CCCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000042686861 642555624 /nfs/dbraw/zinc/55/56/24/642555624.db2.gz VRNZJENFKMZDBN-UHFFFAOYSA-N 1 2 383.290 2.021 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000489663785 650760836 /nfs/dbraw/zinc/76/08/36/650760836.db2.gz VIPCITPLNZKDCW-ZDUSSCGKSA-N 1 2 383.857 2.007 20 0 GEADLO COCC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCOC1 ZINC000490051951 650767133 /nfs/dbraw/zinc/76/71/33/650767133.db2.gz DJTONZZFRIKLAJ-NSHDSACASA-N 1 2 393.228 2.403 20 0 GEADLO COCC[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCOC1 ZINC000490051951 650767135 /nfs/dbraw/zinc/76/71/35/650767135.db2.gz DJTONZZFRIKLAJ-NSHDSACASA-N 1 2 393.228 2.403 20 0 GEADLO C[C@@H](Sc1nncn1C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000045670848 642593569 /nfs/dbraw/zinc/59/35/69/642593569.db2.gz OFEFXTRVKWYLHX-VXGBXAGGSA-N 1 2 380.543 2.623 20 0 GEADLO C[C@@H](Sc1nncn1C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000045670848 642593570 /nfs/dbraw/zinc/59/35/70/642593570.db2.gz OFEFXTRVKWYLHX-VXGBXAGGSA-N 1 2 380.543 2.623 20 0 GEADLO O=C(COC(=O)c1ccnc(Cl)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000050872189 642688701 /nfs/dbraw/zinc/68/87/01/642688701.db2.gz NCHMYMRYRZWNJE-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO CC(C)(C)NC(=O)CNC(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000052591729 642722528 /nfs/dbraw/zinc/72/25/28/642722528.db2.gz ITRMRKVIZYICSN-UHFFFAOYSA-N 1 2 396.329 2.444 20 0 GEADLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000052591729 642722537 /nfs/dbraw/zinc/72/25/37/642722537.db2.gz ITRMRKVIZYICSN-UHFFFAOYSA-N 1 2 396.329 2.444 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000052691507 642724607 /nfs/dbraw/zinc/72/46/07/642724607.db2.gz YDXOZKBHBZZKKB-NSHDSACASA-N 1 2 394.324 2.193 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000052691507 642724613 /nfs/dbraw/zinc/72/46/13/642724613.db2.gz YDXOZKBHBZZKKB-NSHDSACASA-N 1 2 394.324 2.193 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000052692707 642725429 /nfs/dbraw/zinc/72/54/29/642725429.db2.gz PABIJNAWUAYTOW-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000052692707 642725435 /nfs/dbraw/zinc/72/54/35/642725435.db2.gz PABIJNAWUAYTOW-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000534637638 650779064 /nfs/dbraw/zinc/77/90/64/650779064.db2.gz ZGGBYRREZPYXKV-GOEBONIOSA-N 1 2 380.491 2.258 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000534637638 650779067 /nfs/dbraw/zinc/77/90/67/650779067.db2.gz ZGGBYRREZPYXKV-GOEBONIOSA-N 1 2 380.491 2.258 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000052749895 642726631 /nfs/dbraw/zinc/72/66/31/642726631.db2.gz FTAAEWRNZMLCMJ-CHWSQXEVSA-N 1 2 391.269 2.203 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)c1ccc(Br)cc1-n1cncn1 ZINC000535398921 650787679 /nfs/dbraw/zinc/78/76/79/650787679.db2.gz OIDNPVQCDNYIMN-UHFFFAOYSA-N 1 2 389.257 2.437 20 0 GEADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000057062289 642802677 /nfs/dbraw/zinc/80/26/77/642802677.db2.gz DSWNZPRLNGKQSL-UHFFFAOYSA-N 1 2 380.279 2.335 20 0 GEADLO N#CCSc1ccccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000057210038 642808859 /nfs/dbraw/zinc/80/88/59/642808859.db2.gz JLHGXMOBULCQOB-GOSISDBHSA-N 1 2 377.535 2.240 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)NNC(=O)c1ccc(F)cc1Br ZINC000057373162 642811972 /nfs/dbraw/zinc/81/19/72/642811972.db2.gz YRDFBODUSPDWIU-UHFFFAOYSA-N 1 2 398.236 2.209 20 0 GEADLO CSCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000057612217 642814895 /nfs/dbraw/zinc/81/48/95/642814895.db2.gz DCGCGJCCMVZFCA-UHFFFAOYSA-N 1 2 382.599 2.234 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000059323125 642831040 /nfs/dbraw/zinc/83/10/40/642831040.db2.gz CKNOGYNFPQJROD-DZGCQCFKSA-N 1 2 381.464 2.178 20 0 GEADLO C[C@H](CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C[NH+]1CCCCC1 ZINC000059419586 642831634 /nfs/dbraw/zinc/83/16/34/642831634.db2.gz YMTXPUGMCODSCQ-CQSZACIVSA-N 1 2 388.555 2.028 20 0 GEADLO CC[C@H](C(=O)NCCCn1cc(Br)cn1)[N@@H+]1CCO[C@H](CC)C1 ZINC000492354685 650790615 /nfs/dbraw/zinc/79/06/15/650790615.db2.gz FWMJAOSRBWXETK-HUUCEWRRSA-N 1 2 387.322 2.041 20 0 GEADLO CC[C@H](C(=O)NCCCn1cc(Br)cn1)[N@H+]1CCO[C@H](CC)C1 ZINC000492354685 650790617 /nfs/dbraw/zinc/79/06/17/650790617.db2.gz FWMJAOSRBWXETK-HUUCEWRRSA-N 1 2 387.322 2.041 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000535808636 650790981 /nfs/dbraw/zinc/79/09/81/650790981.db2.gz PHCXRLWSOJSFOD-JKSUJKDBSA-N 1 2 388.917 2.021 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000535808636 650790982 /nfs/dbraw/zinc/79/09/82/650790982.db2.gz PHCXRLWSOJSFOD-JKSUJKDBSA-N 1 2 388.917 2.021 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000535826337 650791101 /nfs/dbraw/zinc/79/11/01/650791101.db2.gz VITDVNJHVUGSOP-QGZVFWFLSA-N 1 2 382.917 2.428 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000535826337 650791102 /nfs/dbraw/zinc/79/11/02/650791102.db2.gz VITDVNJHVUGSOP-QGZVFWFLSA-N 1 2 382.917 2.428 20 0 GEADLO O=S1(=O)CCC[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000535956666 650792491 /nfs/dbraw/zinc/79/24/91/650792491.db2.gz NNZBLTMQZWJBEK-LLVKDONJSA-N 1 2 375.281 2.241 20 0 GEADLO CN(C1CC[NH+](Cc2ccc(F)cc2Br)CC1)S(C)(=O)=O ZINC000065750222 642886531 /nfs/dbraw/zinc/88/65/31/642886531.db2.gz AZFWONSSFSKKKJ-UHFFFAOYSA-N 1 2 379.295 2.444 20 0 GEADLO O=C(CN1CC[NH+](CCOc2cccc(Br)c2)CC1)N1CCCC1 ZINC000066695655 642934050 /nfs/dbraw/zinc/93/40/50/642934050.db2.gz HLDUVWJTXGVGQM-UHFFFAOYSA-N 1 2 396.329 2.068 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2c[nH]c3cc(Cl)ccc23)CC1 ZINC000068507103 643003796 /nfs/dbraw/zinc/00/37/96/643003796.db2.gz CRDFTRXYPNUYTF-UHFFFAOYSA-N 1 2 383.901 2.060 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCCC[C@@H]2CCSS2)CC1 ZINC000068506797 643003977 /nfs/dbraw/zinc/00/39/77/643003977.db2.gz FOQGZJWQYPBKGR-OAHLLOKOSA-N 1 2 394.628 2.326 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000068508430 643004652 /nfs/dbraw/zinc/00/46/52/643004652.db2.gz ZBVKSRHVYOLXNN-UHFFFAOYSA-N 1 2 393.336 2.161 20 0 GEADLO C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000069039687 643019048 /nfs/dbraw/zinc/01/90/48/643019048.db2.gz LFPKOCSKDSDLQC-ZDUSSCGKSA-N 1 2 387.933 2.209 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2ccc(F)cc2Br)CCO1 ZINC000494427857 650807770 /nfs/dbraw/zinc/80/77/70/650807770.db2.gz UFROLOCVZHOJPZ-AWEZNQCLSA-N 1 2 388.281 2.498 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(F)cc2Br)CCO1 ZINC000494427857 650807771 /nfs/dbraw/zinc/80/77/71/650807771.db2.gz UFROLOCVZHOJPZ-AWEZNQCLSA-N 1 2 388.281 2.498 20 0 GEADLO COc1cc(C[N@@H+]2CCC[C@@H]2CO)cc(I)c1OC ZINC000092471019 643071632 /nfs/dbraw/zinc/07/16/32/643071632.db2.gz BQDDIYVHRNMCGR-LLVKDONJSA-N 1 2 377.222 2.265 20 0 GEADLO COc1cc(C[N@H+]2CCC[C@@H]2CO)cc(I)c1OC ZINC000092471019 643071635 /nfs/dbraw/zinc/07/16/35/643071635.db2.gz BQDDIYVHRNMCGR-LLVKDONJSA-N 1 2 377.222 2.265 20 0 GEADLO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093483848 643076799 /nfs/dbraw/zinc/07/67/99/643076799.db2.gz MFERKIUHILJDBI-OKILXGFUSA-N 1 2 375.778 2.390 20 0 GEADLO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093483848 643076805 /nfs/dbraw/zinc/07/68/05/643076805.db2.gz MFERKIUHILJDBI-OKILXGFUSA-N 1 2 375.778 2.390 20 0 GEADLO Cn1cnnc1C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916507 643118438 /nfs/dbraw/zinc/11/84/38/643118438.db2.gz RLLPIUOZMBNQAP-UHFFFAOYSA-N 1 2 378.274 2.428 20 0 GEADLO C[NH+]1CCN(C(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)CC1 ZINC000102749169 643134045 /nfs/dbraw/zinc/13/40/45/643134045.db2.gz IMUMIAZUTIHROU-UHFFFAOYSA-N 1 2 390.285 2.295 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000104797421 643194809 /nfs/dbraw/zinc/19/48/09/643194809.db2.gz GVVAPVKKYVXODC-BBRMVZONSA-N 1 2 388.295 2.407 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000104797421 643194815 /nfs/dbraw/zinc/19/48/15/643194815.db2.gz GVVAPVKKYVXODC-BBRMVZONSA-N 1 2 388.295 2.407 20 0 GEADLO C[C@@H](NC(=O)NCc1ccc(Br)s1)[C@@H](C)[NH+]1CCOCC1 ZINC000105149145 643200540 /nfs/dbraw/zinc/20/05/40/643200540.db2.gz CBNGJRVSDDAWSN-GHMZBOCLSA-N 1 2 376.320 2.419 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000105180438 643201288 /nfs/dbraw/zinc/20/12/88/643201288.db2.gz IONVIQPJGUWOPE-OAHLLOKOSA-N 1 2 398.301 2.246 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(I)c1 ZINC000105349739 643203465 /nfs/dbraw/zinc/20/34/65/643203465.db2.gz OMKOLAOGKSQNJE-UHFFFAOYSA-N 1 2 389.237 2.087 20 0 GEADLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000106805582 643239693 /nfs/dbraw/zinc/23/96/93/643239693.db2.gz IOHUBCBJSPPBBS-KRWDZBQOSA-N 1 2 380.330 2.230 20 0 GEADLO CCCN1C(=O)C(=O)N(C[N@H+](C)CCc2ccc(Br)cc2)C1=O ZINC000106854512 643241353 /nfs/dbraw/zinc/24/13/53/643241353.db2.gz HCVKENDIQALGQP-UHFFFAOYSA-N 1 2 382.258 2.082 20 0 GEADLO CCCN1C(=O)C(=O)N(C[N@@H+](C)CCc2ccc(Br)cc2)C1=O ZINC000106854512 643241364 /nfs/dbraw/zinc/24/13/64/643241364.db2.gz HCVKENDIQALGQP-UHFFFAOYSA-N 1 2 382.258 2.082 20 0 GEADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 ZINC000106876131 643243021 /nfs/dbraw/zinc/24/30/21/643243021.db2.gz GWEYVNWYGCRYRD-NSHDSACASA-N 1 2 382.511 2.039 20 0 GEADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 ZINC000106876131 643243023 /nfs/dbraw/zinc/24/30/23/643243023.db2.gz GWEYVNWYGCRYRD-NSHDSACASA-N 1 2 382.511 2.039 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCCc2ccc(Br)cc2)CCO1 ZINC000495217150 650824140 /nfs/dbraw/zinc/82/41/40/650824140.db2.gz ABFKGQNHUBTKSF-MRXNPFEDSA-N 1 2 384.318 2.402 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccc(Br)cc2)CCO1 ZINC000495217150 650824142 /nfs/dbraw/zinc/82/41/42/650824142.db2.gz ABFKGQNHUBTKSF-MRXNPFEDSA-N 1 2 384.318 2.402 20 0 GEADLO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000108397666 643272247 /nfs/dbraw/zinc/27/22/47/643272247.db2.gz DJFSWXVEMULJBO-UHFFFAOYSA-N 1 2 390.571 2.079 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000496956800 650831409 /nfs/dbraw/zinc/83/14/09/650831409.db2.gz SKPDEHHLJYCBSI-XPTSAGLGSA-N 1 2 386.235 2.384 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000496956800 650831412 /nfs/dbraw/zinc/83/14/12/650831412.db2.gz SKPDEHHLJYCBSI-XPTSAGLGSA-N 1 2 386.235 2.384 20 0 GEADLO COCC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000108853306 643283920 /nfs/dbraw/zinc/28/39/20/643283920.db2.gz BXAWHEVIRAOKCN-AWEZNQCLSA-N 1 2 381.416 2.263 20 0 GEADLO COCC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000108853306 643283925 /nfs/dbraw/zinc/28/39/25/643283925.db2.gz BXAWHEVIRAOKCN-AWEZNQCLSA-N 1 2 381.416 2.263 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCCCCn1cc[nH+]c1 ZINC000108979134 643286524 /nfs/dbraw/zinc/28/65/24/643286524.db2.gz ATEASDIKMNYEQC-NSHDSACASA-N 1 2 399.314 2.422 20 0 GEADLO COCC[NH+]1CCN(C(=O)CSCc2ccc(Br)cc2)CC1 ZINC000496012042 650828135 /nfs/dbraw/zinc/82/81/35/650828135.db2.gz ANDVAVOIJAZTGS-UHFFFAOYSA-N 1 2 387.343 2.473 20 0 GEADLO O=C(NC1CC[NH+]([C@H]2CCN(CC(F)(F)F)C2=O)CC1)c1ccsc1 ZINC000111206467 643329356 /nfs/dbraw/zinc/32/93/56/643329356.db2.gz CHSSVYKVKPVLRG-ZDUSSCGKSA-N 1 2 375.416 2.106 20 0 GEADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000111376912 643338688 /nfs/dbraw/zinc/33/86/88/643338688.db2.gz MALFVMXCUNYDSA-QWRGUYRKSA-N 1 2 382.511 2.031 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(Cl)cc1Br ZINC000113166226 643384410 /nfs/dbraw/zinc/38/44/10/643384410.db2.gz WIOPKOFWLGEYCV-UHFFFAOYSA-N 1 2 375.694 2.436 20 0 GEADLO CCN(C(=O)[C@@H](C)[N@H+](C)CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000113518108 643400262 /nfs/dbraw/zinc/40/02/62/643400262.db2.gz VDUNGOOILJOIHQ-PBHICJAKSA-N 1 2 386.945 2.238 20 0 GEADLO CCN(C(=O)[C@@H](C)[N@@H+](C)CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000113518108 643400265 /nfs/dbraw/zinc/40/02/65/643400265.db2.gz VDUNGOOILJOIHQ-PBHICJAKSA-N 1 2 386.945 2.238 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000113580599 643400319 /nfs/dbraw/zinc/40/03/19/643400319.db2.gz KKYLADTYMLHYGX-HUUCEWRRSA-N 1 2 387.571 2.350 20 0 GEADLO CCS(=O)(=O)C[C@H](C)N(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000113580597 643400327 /nfs/dbraw/zinc/40/03/27/643400327.db2.gz KKYLADTYMLHYGX-GJZGRUSLSA-N 1 2 387.571 2.350 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)C1(c2cccc(Br)c2)CC1 ZINC000115164931 643431198 /nfs/dbraw/zinc/43/11/98/643431198.db2.gz JNFDBVLCOSLEOT-INIZCTEOSA-N 1 2 379.298 2.460 20 0 GEADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)C1(c2cccc(Br)c2)CC1 ZINC000115164931 643431199 /nfs/dbraw/zinc/43/11/99/643431199.db2.gz JNFDBVLCOSLEOT-INIZCTEOSA-N 1 2 379.298 2.460 20 0 GEADLO COCc1cnc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)s1 ZINC000538967705 650840112 /nfs/dbraw/zinc/84/01/12/650840112.db2.gz BTCBUBUWOIEUAJ-UHFFFAOYSA-N 1 2 375.541 2.036 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000116401368 643462765 /nfs/dbraw/zinc/46/27/65/643462765.db2.gz RFRNXLFSQVAQTL-KBPBESRZSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000116401368 643462767 /nfs/dbraw/zinc/46/27/67/643462767.db2.gz RFRNXLFSQVAQTL-KBPBESRZSA-N 1 2 385.258 2.040 20 0 GEADLO O=S(=O)(c1cccc2c1N=S=N2)N1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000120751773 643623731 /nfs/dbraw/zinc/62/37/31/643623731.db2.gz YRSRUDYSUNEXBD-UONOGXRCSA-N 1 2 382.511 2.023 20 0 GEADLO Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)c(N(C)C)[nH+]1 ZINC000122883452 643662634 /nfs/dbraw/zinc/66/26/34/643662634.db2.gz FXSDZPWBTBSQLP-UHFFFAOYSA-N 1 2 388.902 2.088 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccnc(Br)c1 ZINC000125604126 643708910 /nfs/dbraw/zinc/70/89/10/643708910.db2.gz DYFDIANIHLNCCF-MRXNPFEDSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccnc(Br)c1 ZINC000125604126 643708915 /nfs/dbraw/zinc/70/89/15/643708915.db2.gz DYFDIANIHLNCCF-MRXNPFEDSA-N 1 2 390.281 2.475 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)sc1C ZINC000540217430 650860391 /nfs/dbraw/zinc/86/03/91/650860391.db2.gz PTJSETNTBXLMMB-IAGOWNOFSA-N 1 2 380.535 2.279 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)sc1C ZINC000540217430 650860397 /nfs/dbraw/zinc/86/03/97/650860397.db2.gz PTJSETNTBXLMMB-IAGOWNOFSA-N 1 2 380.535 2.279 20 0 GEADLO CC(C)c1ncc(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)s1 ZINC000128953331 643815242 /nfs/dbraw/zinc/81/52/42/643815242.db2.gz VRCGQGRQDGRXPE-UHFFFAOYSA-N 1 2 380.539 2.236 20 0 GEADLO CC(C)(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000130568437 643843640 /nfs/dbraw/zinc/84/36/40/643843640.db2.gz GOMQXYUWDBDCSB-OAHLLOKOSA-N 1 2 399.329 2.379 20 0 GEADLO CN(CCCn1cc[nH+]c1)CN1C(=O)C(=O)c2c1cccc2Br ZINC000130610071 643845565 /nfs/dbraw/zinc/84/55/65/643845565.db2.gz YJZANTNVRPZPSB-UHFFFAOYSA-N 1 2 377.242 2.155 20 0 GEADLO O=C(Nc1nc2c(s1)CSCC2)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000498992205 650870712 /nfs/dbraw/zinc/87/07/12/650870712.db2.gz WLPVTYGABPZRQS-UHFFFAOYSA-N 1 2 377.495 2.000 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCc2cc(Br)sc2C1 ZINC000131656948 643875165 /nfs/dbraw/zinc/87/51/65/643875165.db2.gz OASXLAZBOKWABT-LLVKDONJSA-N 1 2 388.331 2.299 20 0 GEADLO O=S(=O)(CC[NH+]1CCC(n2cncn2)CC1)c1ccc(Br)cc1 ZINC000499036299 650872055 /nfs/dbraw/zinc/87/20/55/650872055.db2.gz LBAWKMBHSUMNFD-UHFFFAOYSA-N 1 2 399.314 2.151 20 0 GEADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000133041742 643891617 /nfs/dbraw/zinc/89/16/17/643891617.db2.gz QVAHVLDOCUQLLK-AWEZNQCLSA-N 1 2 386.945 2.144 20 0 GEADLO COCC[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)[C@@H](C)C(N)=O ZINC000154138666 644020723 /nfs/dbraw/zinc/02/07/23/644020723.db2.gz MNEAHZAZYCPHRW-LBPRGKRZSA-N 1 2 393.285 2.228 20 0 GEADLO COCC[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)[C@@H](C)C(N)=O ZINC000154138666 644020727 /nfs/dbraw/zinc/02/07/27/644020727.db2.gz MNEAHZAZYCPHRW-LBPRGKRZSA-N 1 2 393.285 2.228 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000154344363 644037349 /nfs/dbraw/zinc/03/73/49/644037349.db2.gz GIUHNANKFFWDDJ-UHFFFAOYSA-N 1 2 391.269 2.239 20 0 GEADLO Cc1c2cccc(Br)c2oc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000542106789 650886984 /nfs/dbraw/zinc/88/69/84/650886984.db2.gz PFMRFZBIIXCGJN-LBPRGKRZSA-N 1 2 378.270 2.233 20 0 GEADLO O=S1(=O)CCC[C@H]([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000542319933 650890209 /nfs/dbraw/zinc/89/02/09/650890209.db2.gz CLZUNUNECCSULZ-JTQLQIEISA-N 1 2 375.281 2.241 20 0 GEADLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000158761846 644158671 /nfs/dbraw/zinc/15/86/71/644158671.db2.gz FJEVYCRKBXJIIT-QWRGUYRKSA-N 1 2 382.313 2.166 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000158944606 644169106 /nfs/dbraw/zinc/16/91/06/644169106.db2.gz PPEWZZURQPARQJ-SNVBAGLBSA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000158944606 644169111 /nfs/dbraw/zinc/16/91/11/644169111.db2.gz PPEWZZURQPARQJ-SNVBAGLBSA-N 1 2 396.738 2.108 20 0 GEADLO Cc1[nH]c(=O)c(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1Br ZINC000163121957 644248843 /nfs/dbraw/zinc/24/88/43/644248843.db2.gz MUWWFFOYZJYBTA-UHFFFAOYSA-N 1 2 379.258 2.363 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCCNc2ncc(Cl)cc2Cl)CCO1 ZINC000171010806 644301129 /nfs/dbraw/zinc/30/11/29/644301129.db2.gz IVUBAKNEUQVFGK-UHFFFAOYSA-N 1 2 390.315 2.210 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCCNc2ncc(Cl)cc2Cl)CCO1 ZINC000171010806 644301133 /nfs/dbraw/zinc/30/11/33/644301133.db2.gz IVUBAKNEUQVFGK-UHFFFAOYSA-N 1 2 390.315 2.210 20 0 GEADLO Cc1ccc(OCCC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)c(Br)c1 ZINC000171133823 644313478 /nfs/dbraw/zinc/31/34/78/644313478.db2.gz DIHGZFVLTMJXKV-HNNXBMFYSA-N 1 2 398.345 2.279 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+](CCCCCO)CC1 ZINC000171142985 644314284 /nfs/dbraw/zinc/31/42/84/644314284.db2.gz COWCLIHZRCILMW-UHFFFAOYSA-N 1 2 381.325 2.462 20 0 GEADLO Cc1nc(N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cc[nH+]1 ZINC000172821355 644345616 /nfs/dbraw/zinc/34/56/16/644345616.db2.gz DUGAZJQEFQOEAV-UHFFFAOYSA-N 1 2 397.298 2.058 20 0 GEADLO Cc1cc(CCCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C)s1 ZINC000175396466 644389968 /nfs/dbraw/zinc/38/99/68/644389968.db2.gz JYBRMPRGZANCQV-UHFFFAOYSA-N 1 2 386.583 2.313 20 0 GEADLO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000176045446 644396333 /nfs/dbraw/zinc/39/63/33/644396333.db2.gz QVMVWPBDPIUZBM-UHFFFAOYSA-N 1 2 384.889 2.112 20 0 GEADLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)CC1 ZINC000178669470 644436311 /nfs/dbraw/zinc/43/63/11/644436311.db2.gz YJUOESXWKFIWAC-UHFFFAOYSA-N 1 2 387.933 2.004 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCNC(=O)c1ccccc1F ZINC000544631308 650946948 /nfs/dbraw/zinc/94/69/48/650946948.db2.gz RMFLUDODQRHYAH-UHFFFAOYSA-N 1 2 384.860 2.402 20 0 GEADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)n1 ZINC000184271011 645014957 /nfs/dbraw/zinc/01/49/57/645014957.db2.gz KSDQIIDEGFWWFX-GFCCVEGCSA-N 1 2 382.511 2.005 20 0 GEADLO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000187068057 645082271 /nfs/dbraw/zinc/08/22/71/645082271.db2.gz QBHAIUYKOREPJZ-UHFFFAOYSA-N 1 2 383.221 2.238 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c(Br)c1O ZINC000545560562 650979340 /nfs/dbraw/zinc/97/93/40/650979340.db2.gz BBGDALRIABSZIY-GFCCVEGCSA-N 1 2 384.274 2.153 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c(Br)c1O ZINC000545560562 650979341 /nfs/dbraw/zinc/97/93/41/650979341.db2.gz BBGDALRIABSZIY-GFCCVEGCSA-N 1 2 384.274 2.153 20 0 GEADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000188310887 645112817 /nfs/dbraw/zinc/11/28/17/645112817.db2.gz MVGKAZRHEPDFJV-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000188310887 645112822 /nfs/dbraw/zinc/11/28/22/645112822.db2.gz MVGKAZRHEPDFJV-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000188311910 645113403 /nfs/dbraw/zinc/11/34/03/645113403.db2.gz SFPWLCODLRDKHZ-GFCCVEGCSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000188311910 645113408 /nfs/dbraw/zinc/11/34/08/645113408.db2.gz SFPWLCODLRDKHZ-GFCCVEGCSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188806949 645127239 /nfs/dbraw/zinc/12/72/39/645127239.db2.gz ZYMBDZHVVSMCEF-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@H+]1CC(C)(C)O ZINC000188806949 645127244 /nfs/dbraw/zinc/12/72/44/645127244.db2.gz ZYMBDZHVVSMCEF-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Br)[NH+]1CCSCC1 ZINC000189277137 645135940 /nfs/dbraw/zinc/13/59/40/645135940.db2.gz OAGGMDLHRGUDHB-VIFPVBQESA-N 1 2 389.275 2.238 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCC(Cl)(Cl)Cl)C1 ZINC000190367922 645153606 /nfs/dbraw/zinc/15/36/06/645153606.db2.gz QRIWIEYUEMQBLS-NSHDSACASA-N 1 2 381.753 2.119 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCC(Cl)(Cl)Cl)C1 ZINC000190367922 645153609 /nfs/dbraw/zinc/15/36/09/645153609.db2.gz QRIWIEYUEMQBLS-NSHDSACASA-N 1 2 381.753 2.119 20 0 GEADLO CS(=O)(=O)Cc1noc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192096536 645192633 /nfs/dbraw/zinc/19/26/33/645192633.db2.gz HZEWTWICJJOGND-DOMZBBRYSA-N 1 2 389.836 2.027 20 0 GEADLO COc1cc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)on1 ZINC000546063698 650989865 /nfs/dbraw/zinc/98/98/65/650989865.db2.gz ORSQZDCKCFRJJN-UHFFFAOYSA-N 1 2 379.214 2.374 20 0 GEADLO CC[C@@H]([NH2+]CCCNC(=O)c1cc(OC)ccc1Br)C(=O)OC ZINC000192847558 645225496 /nfs/dbraw/zinc/22/54/96/645225496.db2.gz BWINPHALPIXWRC-CQSZACIVSA-N 1 2 387.274 2.119 20 0 GEADLO CC(C)(C)C(=O)N1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000192900750 645228397 /nfs/dbraw/zinc/22/83/97/645228397.db2.gz ZCUKVNGTHWPEJD-OAHLLOKOSA-N 1 2 399.329 2.379 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)C(=O)Nc1ccccc1Br ZINC000193718868 645293731 /nfs/dbraw/zinc/29/37/31/645293731.db2.gz NVIKRVGXLYRRKW-UHFFFAOYSA-N 1 2 377.242 2.401 20 0 GEADLO CNc1[nH+]cnc2c1cnn2C[C@@H](O)COc1cccc(Br)c1 ZINC000193756879 645296732 /nfs/dbraw/zinc/29/67/32/645296732.db2.gz WIOBRBVMZDTYJG-LLVKDONJSA-N 1 2 378.230 2.070 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000194535093 645331826 /nfs/dbraw/zinc/33/18/26/645331826.db2.gz UGXSVLYJSYKGGV-ZDUSSCGKSA-N 1 2 382.302 2.458 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCc2c(Br)cccc2C1 ZINC000195269235 645367567 /nfs/dbraw/zinc/36/75/67/645367567.db2.gz OBSMHTCCLRWYJK-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO O=S(=O)(c1cc(Br)ccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195416878 645377133 /nfs/dbraw/zinc/37/71/33/645377133.db2.gz VAXFSYGFZOBPEK-GFCCVEGCSA-N 1 2 377.279 2.447 20 0 GEADLO O=S(=O)(c1cc(Br)ccc1F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195416878 645377137 /nfs/dbraw/zinc/37/71/37/645377137.db2.gz VAXFSYGFZOBPEK-GFCCVEGCSA-N 1 2 377.279 2.447 20 0 GEADLO C[C@H]([NH2+]Cc1cc(Br)c(O)c(Br)c1)C(=O)N(C)C ZINC000235518234 645408922 /nfs/dbraw/zinc/40/89/22/645408922.db2.gz WCKBEEIBAFMBPV-ZETCQYMHSA-N 1 2 380.080 2.484 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCC3(O)CCC3)[nH+]c12 ZINC000546861506 651011666 /nfs/dbraw/zinc/01/16/66/651011666.db2.gz XJICPCSOZGLNMH-UHFFFAOYSA-N 1 2 381.274 2.162 20 0 GEADLO C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245420272 645454168 /nfs/dbraw/zinc/45/41/68/645454168.db2.gz HKLBCFKGTWDDRC-LSDHHAIUSA-N 1 2 383.901 2.136 20 0 GEADLO C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245420272 645454171 /nfs/dbraw/zinc/45/41/71/645454171.db2.gz HKLBCFKGTWDDRC-LSDHHAIUSA-N 1 2 383.901 2.136 20 0 GEADLO C[N@H+](C[C@@H](O)COc1ccccc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245544057 645460239 /nfs/dbraw/zinc/46/02/39/645460239.db2.gz TZNMILLXRNOPFO-NVXWUHKLSA-N 1 2 393.281 2.347 20 0 GEADLO C[N@@H+](C[C@@H](O)COc1ccccc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000245544057 645460248 /nfs/dbraw/zinc/46/02/48/645460248.db2.gz TZNMILLXRNOPFO-NVXWUHKLSA-N 1 2 393.281 2.347 20 0 GEADLO C[C@H]1SCCN(CCS(=O)(=O)CC[N@@H+]2CCS[C@@H](C)[C@H]2C)[C@@H]1C ZINC000246409814 645483798 /nfs/dbraw/zinc/48/37/98/645483798.db2.gz QFAYQRHNQDXBIU-FPCVCCKLSA-N 1 2 380.645 2.053 20 0 GEADLO C[C@H]1SCCN(CCS(=O)(=O)CC[N@H+]2CCS[C@@H](C)[C@H]2C)[C@@H]1C ZINC000246409814 645483804 /nfs/dbraw/zinc/48/38/04/645483804.db2.gz QFAYQRHNQDXBIU-FPCVCCKLSA-N 1 2 380.645 2.053 20 0 GEADLO C[C@H]1SCC[N@@H+](CCS(=O)(=O)CCN2CCS[C@@H](C)[C@H]2C)[C@@H]1C ZINC000246409814 645483808 /nfs/dbraw/zinc/48/38/08/645483808.db2.gz QFAYQRHNQDXBIU-FPCVCCKLSA-N 1 2 380.645 2.053 20 0 GEADLO C[C@H]1SCC[N@H+](CCS(=O)(=O)CCN2CCS[C@@H](C)[C@H]2C)[C@@H]1C ZINC000246409814 645483818 /nfs/dbraw/zinc/48/38/18/645483818.db2.gz QFAYQRHNQDXBIU-FPCVCCKLSA-N 1 2 380.645 2.053 20 0 GEADLO COc1ccc(Br)c(Cc2nc([C@H]3C[N@H+](C)CCN3C)no2)c1 ZINC000547205215 651018592 /nfs/dbraw/zinc/01/85/92/651018592.db2.gz QKNKYNHWMMUVNQ-CQSZACIVSA-N 1 2 381.274 2.350 20 0 GEADLO COc1ccc(Br)c(Cc2nc([C@H]3C[N@@H+](C)CCN3C)no2)c1 ZINC000547205215 651018594 /nfs/dbraw/zinc/01/85/94/651018594.db2.gz QKNKYNHWMMUVNQ-CQSZACIVSA-N 1 2 381.274 2.350 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CC1 ZINC000248928263 645543583 /nfs/dbraw/zinc/54/35/83/645543583.db2.gz XMHZJJOMOXRQLE-QIIPPGSGSA-N 1 2 379.551 2.407 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000252692586 645566844 /nfs/dbraw/zinc/56/68/44/645566844.db2.gz DDJUEXDMKCKOJS-FZMZJTMJSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C[C@H](C)O ZINC000252692586 645566848 /nfs/dbraw/zinc/56/68/48/645566848.db2.gz DDJUEXDMKCKOJS-FZMZJTMJSA-N 1 2 381.325 2.459 20 0 GEADLO O=S(=O)(c1sccc1Br)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261606024 645589325 /nfs/dbraw/zinc/58/93/25/645589325.db2.gz BFDNOYPEEZNBAP-LBPRGKRZSA-N 1 2 388.312 2.241 20 0 GEADLO O=S(=O)(c1ccccc1Br)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261609214 645589876 /nfs/dbraw/zinc/58/98/76/645589876.db2.gz BSKCKVSDOFLCFV-AWEZNQCLSA-N 1 2 382.283 2.179 20 0 GEADLO Cc1c(Br)cccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261759336 645597941 /nfs/dbraw/zinc/59/79/41/645597941.db2.gz QYHYAONKZJFJSS-HNNXBMFYSA-N 1 2 396.310 2.488 20 0 GEADLO O=S(=O)(Cc1ccc(Br)cc1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261800256 645601397 /nfs/dbraw/zinc/60/13/97/645601397.db2.gz VTQUYUMLCUDMDA-INIZCTEOSA-N 1 2 396.310 2.320 20 0 GEADLO O=S(=O)(c1cccc(Br)c1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261889942 645609491 /nfs/dbraw/zinc/60/94/91/645609491.db2.gz VHMKSCRWSQCPPC-OAHLLOKOSA-N 1 2 382.283 2.179 20 0 GEADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000261927943 645612546 /nfs/dbraw/zinc/61/25/46/645612546.db2.gz CKPZVSFIGCSMIH-LBPRGKRZSA-N 1 2 375.281 2.062 20 0 GEADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000262286196 645624467 /nfs/dbraw/zinc/62/44/67/645624467.db2.gz MIVMYAUIXOHXPN-LBPRGKRZSA-N 1 2 393.271 2.201 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(Br)cc1F ZINC000264257205 645674542 /nfs/dbraw/zinc/67/45/42/645674542.db2.gz CEOYCWVWRJQNGC-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1Br ZINC000264343108 645676538 /nfs/dbraw/zinc/67/65/38/645676538.db2.gz VUBKMKZUCQQTKM-UHFFFAOYSA-N 1 2 379.258 2.230 20 0 GEADLO CSCC[C@H]1NC(=S)N(c2cccc([C@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000264380709 645681809 /nfs/dbraw/zinc/68/18/09/645681809.db2.gz OMVXDOJNUNYNTI-XJKSGUPXSA-N 1 2 379.551 2.423 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000547849684 651047810 /nfs/dbraw/zinc/04/78/10/651047810.db2.gz GCPPLUPRQBUWNP-RISCZKNCSA-N 1 2 382.873 2.095 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000547849685 651047938 /nfs/dbraw/zinc/04/79/38/651047938.db2.gz GCPPLUPRQBUWNP-SMDDNHRTSA-N 1 2 382.873 2.095 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)c(Cl)c1 ZINC000266566809 645851139 /nfs/dbraw/zinc/85/11/39/645851139.db2.gz ZWEKRWAXHKCWTP-NEPJUHHUSA-N 1 2 377.890 2.259 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)c(Cl)c1 ZINC000266566809 645851141 /nfs/dbraw/zinc/85/11/41/645851141.db2.gz ZWEKRWAXHKCWTP-NEPJUHHUSA-N 1 2 377.890 2.259 20 0 GEADLO O=C(CSc1n[nH]c(=S)s1)N1CC[NH+](CCc2cccs2)CC1 ZINC000267005622 645872427 /nfs/dbraw/zinc/87/24/27/645872427.db2.gz LLIBQXPYCQXXTE-UHFFFAOYSA-N 1 2 386.593 2.367 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000267015303 645873963 /nfs/dbraw/zinc/87/39/63/645873963.db2.gz ITBJFXIMOQHQCY-LLVKDONJSA-N 1 2 388.287 2.330 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000268203938 645953094 /nfs/dbraw/zinc/95/30/94/645953094.db2.gz OZCXQAWCBPDLLJ-UHFFFAOYSA-N 1 2 377.447 2.387 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000268222170 645954878 /nfs/dbraw/zinc/95/48/78/645954878.db2.gz SMIPJCQSQSSSDX-UHFFFAOYSA-N 1 2 375.372 2.383 20 0 GEADLO O=C(C[N@@H+]1CCc2ccccc2[C@@H]1CO)Nc1ccc(Br)cn1 ZINC000268506101 645970783 /nfs/dbraw/zinc/97/07/83/645970783.db2.gz USQKMLVTKWZWTB-HNNXBMFYSA-N 1 2 376.254 2.374 20 0 GEADLO O=C(C[N@H+]1CCc2ccccc2[C@@H]1CO)Nc1ccc(Br)cn1 ZINC000268506101 645970784 /nfs/dbraw/zinc/97/07/84/645970784.db2.gz USQKMLVTKWZWTB-HNNXBMFYSA-N 1 2 376.254 2.374 20 0 GEADLO COCC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000268903020 646004163 /nfs/dbraw/zinc/00/41/63/646004163.db2.gz PFJYUDBBAKODJH-ZDUSSCGKSA-N 1 2 376.906 2.080 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1[nH]nc(C2CC2)c1Br ZINC000270018484 646083480 /nfs/dbraw/zinc/08/34/80/646083480.db2.gz QCSZIESMRXILCD-LLVKDONJSA-N 1 2 376.258 2.453 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270775354 646137398 /nfs/dbraw/zinc/13/73/98/646137398.db2.gz SNHCNRNJQQUWIU-SCZZXKLOSA-N 1 2 378.782 2.428 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270775354 646137405 /nfs/dbraw/zinc/13/74/05/646137405.db2.gz SNHCNRNJQQUWIU-SCZZXKLOSA-N 1 2 378.782 2.428 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000270791977 646139425 /nfs/dbraw/zinc/13/94/25/646139425.db2.gz CLYGXVKHUPAJHK-ABAIWWIYSA-N 1 2 394.269 2.251 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000270791977 646139432 /nfs/dbraw/zinc/13/94/32/646139432.db2.gz CLYGXVKHUPAJHK-ABAIWWIYSA-N 1 2 394.269 2.251 20 0 GEADLO CC[N@@H+]1CCCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC1 ZINC000271218612 646182092 /nfs/dbraw/zinc/18/20/92/646182092.db2.gz CHYIEYRWRUKYFN-UHFFFAOYSA-N 1 2 389.315 2.020 20 0 GEADLO CC[N@H+]1CCCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC1 ZINC000271218612 646182095 /nfs/dbraw/zinc/18/20/95/646182095.db2.gz CHYIEYRWRUKYFN-UHFFFAOYSA-N 1 2 389.315 2.020 20 0 GEADLO NC(=O)[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(Br)cc1F ZINC000271334285 646192372 /nfs/dbraw/zinc/19/23/72/646192372.db2.gz AZVRGEOFXJFRLL-FZMZJTMJSA-N 1 2 387.249 2.390 20 0 GEADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3nccn4c(Br)cnc34)n2)C1 ZINC000272565079 646278219 /nfs/dbraw/zinc/27/82/19/646278219.db2.gz CJGWTBLISPJQCP-JTQLQIEISA-N 1 2 393.245 2.324 20 0 GEADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3nccn4c(Br)cnc34)n2)C1 ZINC000272565079 646278222 /nfs/dbraw/zinc/27/82/22/646278222.db2.gz CJGWTBLISPJQCP-JTQLQIEISA-N 1 2 393.245 2.324 20 0 GEADLO CS(=O)(=O)[C@H]1CCCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000274126557 646319161 /nfs/dbraw/zinc/31/91/61/646319161.db2.gz OFUDPRKXKXEVKZ-LSDHHAIUSA-N 1 2 385.555 2.104 20 0 GEADLO CN(Cc1ccc(S(C)(=O)=O)cc1)c1cc(N2CCSCC2)nc[nH+]1 ZINC000277314088 646401924 /nfs/dbraw/zinc/40/19/24/646401924.db2.gz CUJOGBXTEFMCPC-UHFFFAOYSA-N 1 2 378.523 2.070 20 0 GEADLO CN(Cc1ccc(S(C)(=O)=O)cc1)c1cc(N2CCSCC2)[nH+]cn1 ZINC000277314088 646401927 /nfs/dbraw/zinc/40/19/27/646401927.db2.gz CUJOGBXTEFMCPC-UHFFFAOYSA-N 1 2 378.523 2.070 20 0 GEADLO NC(=O)c1csc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000277481389 646428811 /nfs/dbraw/zinc/42/88/11/646428811.db2.gz ZZOGAGYNAGLAEU-HNNXBMFYSA-N 1 2 375.519 2.194 20 0 GEADLO NC(=O)c1csc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000277481389 646428817 /nfs/dbraw/zinc/42/88/17/646428817.db2.gz ZZOGAGYNAGLAEU-HNNXBMFYSA-N 1 2 375.519 2.194 20 0 GEADLO COc1ccc([C@@H]2NC(=O)N(CCCn3cc[nH+]c3)C2=O)cc1Br ZINC000277544992 646440100 /nfs/dbraw/zinc/44/01/00/646440100.db2.gz WGQKOEBDZPQFJN-AWEZNQCLSA-N 1 2 393.241 2.337 20 0 GEADLO CS(=O)(=O)Cc1ccccc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000277813415 646474984 /nfs/dbraw/zinc/47/49/84/646474984.db2.gz OKHVKCUDQYMIRT-UHFFFAOYSA-N 1 2 378.523 2.187 20 0 GEADLO CS(=O)(=O)Cc1ccccc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000277813415 646474986 /nfs/dbraw/zinc/47/49/86/646474986.db2.gz OKHVKCUDQYMIRT-UHFFFAOYSA-N 1 2 378.523 2.187 20 0 GEADLO CC(C)[C@H](CNC(=O)c1nc(C2CC2)ncc1Br)[NH+]1CCOCC1 ZINC000277936711 646483986 /nfs/dbraw/zinc/48/39/86/646483986.db2.gz UTVCXVUZICJFMB-AWEZNQCLSA-N 1 2 397.317 2.203 20 0 GEADLO CC(C)[C@@H](CNC(=O)c1nc(C2CC2)ncc1Br)[NH+]1CCOCC1 ZINC000277936716 646484006 /nfs/dbraw/zinc/48/40/06/646484006.db2.gz UTVCXVUZICJFMB-CQSZACIVSA-N 1 2 397.317 2.203 20 0 GEADLO C[C@H](c1nccs1)N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000277984584 646486183 /nfs/dbraw/zinc/48/61/83/646486183.db2.gz ZUBKYVSFNRSSSA-CQSZACIVSA-N 1 2 376.555 2.370 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000278266001 646507782 /nfs/dbraw/zinc/50/77/82/646507782.db2.gz IRNOBRDQMPDCOR-KBPBESRZSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000278266001 646507786 /nfs/dbraw/zinc/50/77/86/646507786.db2.gz IRNOBRDQMPDCOR-KBPBESRZSA-N 1 2 376.266 2.434 20 0 GEADLO Cc1ccc(CN2CC[C@H]([NH2+]Cc3c(Br)cnn3C)C2=O)cc1 ZINC000278697423 646540861 /nfs/dbraw/zinc/54/08/61/646540861.db2.gz JIWYJHCBDFWIOZ-HNNXBMFYSA-N 1 2 377.286 2.382 20 0 GEADLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000278807254 646551829 /nfs/dbraw/zinc/55/18/29/646551829.db2.gz SCKDPRCHCMMNKE-GFCCVEGCSA-N 1 2 386.315 2.443 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)CCOc1cccc(I)c1 ZINC000279292440 646587907 /nfs/dbraw/zinc/58/79/07/646587907.db2.gz YWYNTWOUJMEGPA-UHFFFAOYSA-N 1 2 385.205 2.408 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCOc1ccccc1I ZINC000279549729 646610007 /nfs/dbraw/zinc/61/00/07/646610007.db2.gz QVBRKMBCUMOYRK-LBPRGKRZSA-N 1 2 399.232 2.462 20 0 GEADLO CCc1n[nH]c(C(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1Br ZINC000279810151 646629264 /nfs/dbraw/zinc/62/92/64/646629264.db2.gz UEKUYJVIBJEFAS-JOYOIKCWSA-N 1 2 382.262 2.118 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000280113285 646651690 /nfs/dbraw/zinc/65/16/90/646651690.db2.gz LKHASNFJCJVEDH-UHFFFAOYSA-N 1 2 385.873 2.068 20 0 GEADLO Cc1nsc(N2CC[NH+](Cc3ccc(Cl)cc3-n3cncn3)CC2)n1 ZINC000280391766 646677822 /nfs/dbraw/zinc/67/78/22/646677822.db2.gz WUPLMNGKSKCZFY-UHFFFAOYSA-N 1 2 375.889 2.403 20 0 GEADLO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000280628635 646699637 /nfs/dbraw/zinc/69/96/37/646699637.db2.gz SOGCGBKJTDVFNB-NSHDSACASA-N 1 2 397.299 2.475 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)NCCc1ccc(I)s1 ZINC000280759384 646713698 /nfs/dbraw/zinc/71/36/98/646713698.db2.gz ARWFHSLRGNUSLG-UHFFFAOYSA-N 1 2 375.235 2.286 20 0 GEADLO Cc1ccc([C@H]([NH2+]CC(=O)NCc2cccs2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280805341 646718930 /nfs/dbraw/zinc/71/89/30/646718930.db2.gz LFUJMTYPKHIGGM-RDTXWAMCSA-N 1 2 380.535 2.437 20 0 GEADLO Brc1cnc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)nc1 ZINC000280835685 646722882 /nfs/dbraw/zinc/72/28/82/646722882.db2.gz WSTLEQGLFXCTNI-CVEARBPZSA-N 1 2 375.270 2.329 20 0 GEADLO Brc1cnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)nc1 ZINC000280835685 646722886 /nfs/dbraw/zinc/72/28/86/646722886.db2.gz WSTLEQGLFXCTNI-CVEARBPZSA-N 1 2 375.270 2.329 20 0 GEADLO Cc1cc(N2CCN(S(=O)(=O)CCC(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000281088992 646744669 /nfs/dbraw/zinc/74/46/69/646744669.db2.gz CVJXHHCQERXJTM-UHFFFAOYSA-N 1 2 380.436 2.313 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000282166788 646817566 /nfs/dbraw/zinc/81/75/66/646817566.db2.gz IZKJQKBCGRSNSB-CYBMUJFWSA-N 1 2 382.302 2.055 20 0 GEADLO CC(C)(CNC(=O)C(=O)NCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000283230069 646822194 /nfs/dbraw/zinc/82/21/94/646822194.db2.gz BYJUTOUTRCZNBW-UHFFFAOYSA-N 1 2 383.279 2.400 20 0 GEADLO CC(=O)N(c1nc(C[NH2+]CCn2cc(Br)cn2)cs1)C1CC1 ZINC000285409783 646856344 /nfs/dbraw/zinc/85/63/44/646856344.db2.gz FQWHOVDHWGKYBE-UHFFFAOYSA-N 1 2 384.303 2.407 20 0 GEADLO COc1ccc(Br)cc1CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000285987402 646863952 /nfs/dbraw/zinc/86/39/52/646863952.db2.gz XNJJWDXHFSSVMW-XJKSGUPXSA-N 1 2 397.313 2.322 20 0 GEADLO Cn1ncc(Br)c1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000288349928 646915064 /nfs/dbraw/zinc/91/50/64/646915064.db2.gz BYOOKCPTHXXJMF-LBPRGKRZSA-N 1 2 381.274 2.283 20 0 GEADLO COc1cc(Br)c(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1OC ZINC000295173081 647229363 /nfs/dbraw/zinc/22/93/63/647229363.db2.gz UOUIOHWESYASDQ-YOEHRIQHSA-N 1 2 385.302 2.371 20 0 GEADLO COc1cc(Br)c(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1OC ZINC000295173081 647229366 /nfs/dbraw/zinc/22/93/66/647229366.db2.gz UOUIOHWESYASDQ-YOEHRIQHSA-N 1 2 385.302 2.371 20 0 GEADLO O=S(=O)(c1ccc(F)c(F)c1F)N1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000296659516 647253606 /nfs/dbraw/zinc/25/36/06/647253606.db2.gz YEHVIJROBZEGKB-UHFFFAOYSA-N 1 2 384.370 2.456 20 0 GEADLO COc1cc(Br)ccc1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000322384466 647295489 /nfs/dbraw/zinc/29/54/89/647295489.db2.gz HWNJNBDVFAZKAO-CQSZACIVSA-N 1 2 383.286 2.395 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000328642223 647311891 /nfs/dbraw/zinc/31/18/91/647311891.db2.gz YGYCGYNSYFATRJ-XHDPSFHLSA-N 1 2 385.873 2.281 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC000330705447 647347344 /nfs/dbraw/zinc/34/73/44/647347344.db2.gz SCCURVLXGGFRAF-NWDGAFQWSA-N 1 2 381.420 2.126 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC000330705447 647347350 /nfs/dbraw/zinc/34/73/50/647347350.db2.gz SCCURVLXGGFRAF-NWDGAFQWSA-N 1 2 381.420 2.126 20 0 GEADLO CC(C)(O)CC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000330868889 647357110 /nfs/dbraw/zinc/35/71/10/647357110.db2.gz YUAQHXREEHPQQY-UHFFFAOYSA-N 1 2 381.325 2.461 20 0 GEADLO C[C@H]1CC(O)C[C@H](C)[NH+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000331203233 647370201 /nfs/dbraw/zinc/37/02/01/647370201.db2.gz WMVBDCYGSDEDTQ-RYUDHWBXSA-N 1 2 376.316 2.457 20 0 GEADLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)C1=O ZINC000331562583 647389640 /nfs/dbraw/zinc/38/96/40/647389640.db2.gz GDEGVSOPQAAKOU-ZOWXZIJZSA-N 1 2 396.285 2.151 20 0 GEADLO C[C@@H]1NC(=O)N(CC[N@H+]2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)C1=O ZINC000331562583 647389643 /nfs/dbraw/zinc/38/96/43/647389643.db2.gz GDEGVSOPQAAKOU-ZOWXZIJZSA-N 1 2 396.285 2.151 20 0 GEADLO CN1C(=O)N[C@@]2(CCN(c3[nH+]ccc4cc(Br)ccc43)C2)C1=O ZINC000333684519 647479892 /nfs/dbraw/zinc/47/98/92/647479892.db2.gz AGTXKZMJKCGOKE-MRXNPFEDSA-N 1 2 375.226 2.128 20 0 GEADLO CN1CC[N@H+](C)C[C@@H]1c1noc(C2(c3cncc(Br)c3)CC2)n1 ZINC000350065296 647528169 /nfs/dbraw/zinc/52/81/69/647528169.db2.gz KEKJCEFUBQXROU-CYBMUJFWSA-N 1 2 378.274 2.225 20 0 GEADLO CN1CC[N@@H+](C)C[C@@H]1c1noc(C2(c3cncc(Br)c3)CC2)n1 ZINC000350065296 647528174 /nfs/dbraw/zinc/52/81/74/647528174.db2.gz KEKJCEFUBQXROU-CYBMUJFWSA-N 1 2 378.274 2.225 20 0 GEADLO Cn1c(=O)cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)n(C)c1=O ZINC000361576737 647561830 /nfs/dbraw/zinc/56/18/30/647561830.db2.gz PEQDRIDNWDJLFI-OAHLLOKOSA-N 1 2 378.270 2.184 20 0 GEADLO Cn1c(=O)cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)n(C)c1=O ZINC000361576737 647561833 /nfs/dbraw/zinc/56/18/33/647561833.db2.gz PEQDRIDNWDJLFI-OAHLLOKOSA-N 1 2 378.270 2.184 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000361787110 647564421 /nfs/dbraw/zinc/56/44/21/647564421.db2.gz HIADXUSLFYTKRV-GFCCVEGCSA-N 1 2 383.857 2.038 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000361787111 647564624 /nfs/dbraw/zinc/56/46/24/647564624.db2.gz HIADXUSLFYTKRV-LBPRGKRZSA-N 1 2 383.857 2.038 20 0 GEADLO O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363785741 647607813 /nfs/dbraw/zinc/60/78/13/647607813.db2.gz YNGRQFISZQIXQB-OLZOCXBDSA-N 1 2 380.901 2.463 20 0 GEADLO CC(C)n1cc(C[N@@H+]2CCCN(S(=O)(=O)[C@@H](C)C(F)(F)F)CC2)cn1 ZINC000363972197 647615127 /nfs/dbraw/zinc/61/51/27/647615127.db2.gz LDOPCZOFMGPQKH-ZDUSSCGKSA-N 1 2 382.452 2.252 20 0 GEADLO CC(C)n1cc(C[N@H+]2CCCN(S(=O)(=O)[C@@H](C)C(F)(F)F)CC2)cn1 ZINC000363972197 647615134 /nfs/dbraw/zinc/61/51/34/647615134.db2.gz LDOPCZOFMGPQKH-ZDUSSCGKSA-N 1 2 382.452 2.252 20 0 GEADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000364391644 647624028 /nfs/dbraw/zinc/62/40/28/647624028.db2.gz VGBVHSITNAPQJN-AWEZNQCLSA-N 1 2 383.539 2.282 20 0 GEADLO CC(C)(C)OC(=O)CSCC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000365478678 647672521 /nfs/dbraw/zinc/67/25/21/647672521.db2.gz NVQBMWSXSBFINH-UHFFFAOYSA-N 1 2 385.555 2.299 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366053818 647692348 /nfs/dbraw/zinc/69/23/48/647692348.db2.gz SRJSIZFTQGDDSD-ZFWWWQNUSA-N 1 2 383.286 2.150 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000366877952 647708513 /nfs/dbraw/zinc/70/85/13/647708513.db2.gz COPVCUTYPBBNBN-UHFFFAOYSA-N 1 2 377.247 2.418 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000366877952 647708522 /nfs/dbraw/zinc/70/85/22/647708522.db2.gz COPVCUTYPBBNBN-UHFFFAOYSA-N 1 2 377.247 2.418 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc(Br)cc2nc[nH]c21 ZINC000367076726 647717968 /nfs/dbraw/zinc/71/79/68/647717968.db2.gz BRLNOWNMVZQMJD-CHWSQXEVSA-N 1 2 393.285 2.309 20 0 GEADLO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc(Br)cc2nc[nH]c21 ZINC000367076726 647717972 /nfs/dbraw/zinc/71/79/72/647717972.db2.gz BRLNOWNMVZQMJD-CHWSQXEVSA-N 1 2 393.285 2.309 20 0 GEADLO O=C(COc1ccccc1Br)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367084176 647718531 /nfs/dbraw/zinc/71/85/31/647718531.db2.gz LQAIGOCLHMAQKK-HNNXBMFYSA-N 1 2 376.254 2.396 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1c(Cl)cc(F)cc1Cl ZINC000367183412 647721920 /nfs/dbraw/zinc/72/19/20/647721920.db2.gz CJLDUYNTXAEPAW-QWRGUYRKSA-N 1 2 383.272 2.274 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1c(Cl)cc(F)cc1Cl ZINC000367183412 647721922 /nfs/dbraw/zinc/72/19/22/647721922.db2.gz CJLDUYNTXAEPAW-QWRGUYRKSA-N 1 2 383.272 2.274 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000368646625 647762887 /nfs/dbraw/zinc/76/28/87/647762887.db2.gz JOGJTWAEBIHBCJ-LLVKDONJSA-N 1 2 376.258 2.480 20 0 GEADLO O=S(=O)(C1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1)N1CCCC1 ZINC000370312824 647785092 /nfs/dbraw/zinc/78/50/92/647785092.db2.gz COCKBSNEGFRFRY-INIZCTEOSA-N 1 2 385.555 2.385 20 0 GEADLO O=C(COc1ccccc1Br)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374327780 647821151 /nfs/dbraw/zinc/82/11/51/647821151.db2.gz HJJLGWHBODLMLZ-HNNXBMFYSA-N 1 2 376.254 2.396 20 0 GEADLO O=C(NCC1(C(F)(F)F)CCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000376287821 647841907 /nfs/dbraw/zinc/84/19/07/647841907.db2.gz FVZQCIYGUCWPFJ-HNNXBMFYSA-N 1 2 381.464 2.226 20 0 GEADLO O=C(CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)Nc1ccc(Br)cc1 ZINC000377663577 647863664 /nfs/dbraw/zinc/86/36/64/647863664.db2.gz VKNAJEVUBCJKBT-LBPRGKRZSA-N 1 2 377.242 2.347 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1)Nc1ccc(Br)cc1Cl ZINC000377729783 647866347 /nfs/dbraw/zinc/86/63/47/647866347.db2.gz WSGRMAAZUPLUAM-GXSJLCMTSA-N 1 2 386.677 2.109 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1)Nc1ccc(Br)cc1Cl ZINC000377729783 647866351 /nfs/dbraw/zinc/86/63/51/647866351.db2.gz WSGRMAAZUPLUAM-GXSJLCMTSA-N 1 2 386.677 2.109 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)Nc1ccc(Br)cc1Cl ZINC000377729788 647866423 /nfs/dbraw/zinc/86/64/23/647866423.db2.gz WSGRMAAZUPLUAM-ONGXEEELSA-N 1 2 386.677 2.109 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)Nc1ccc(Br)cc1Cl ZINC000377729788 647866425 /nfs/dbraw/zinc/86/64/25/647866425.db2.gz WSGRMAAZUPLUAM-ONGXEEELSA-N 1 2 386.677 2.109 20 0 GEADLO O=C(Nc1ccc(Br)cc1Cl)C(=O)N1CCn2c[nH+]cc2C1 ZINC000377984848 647875070 /nfs/dbraw/zinc/87/50/70/647875070.db2.gz LWDGBADCBYOJNH-UHFFFAOYSA-N 1 2 383.633 2.280 20 0 GEADLO Cc1cc(C(=O)N2CCC(N3CC[N@@H+](C)CC3=O)CC2)ccc1Br ZINC000378558267 647884584 /nfs/dbraw/zinc/88/45/84/647884584.db2.gz MBAZIVLOTUEVOM-UHFFFAOYSA-N 1 2 394.313 2.136 20 0 GEADLO Cc1cc(C(=O)N2CCC(N3CC[N@H+](C)CC3=O)CC2)ccc1Br ZINC000378558267 647884589 /nfs/dbraw/zinc/88/45/89/647884589.db2.gz MBAZIVLOTUEVOM-UHFFFAOYSA-N 1 2 394.313 2.136 20 0 GEADLO Cc1nc(NCc2nn(C)cc2Br)c(Br)c(C)[nH+]1 ZINC000393365363 647896701 /nfs/dbraw/zinc/89/67/01/647896701.db2.gz CQJSSHYYTIPWGC-UHFFFAOYSA-N 1 2 375.068 2.386 20 0 GEADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000408115081 647927864 /nfs/dbraw/zinc/92/78/64/647927864.db2.gz KKWPVWXWNDLZQU-SNVBAGLBSA-N 1 2 382.860 2.084 20 0 GEADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000408115081 647927867 /nfs/dbraw/zinc/92/78/67/647927867.db2.gz KKWPVWXWNDLZQU-SNVBAGLBSA-N 1 2 382.860 2.084 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000408387516 647949849 /nfs/dbraw/zinc/94/98/49/647949849.db2.gz RNZZZJUYAOCNQZ-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[N@H+]1CC(C)(C)O ZINC000408387516 647949854 /nfs/dbraw/zinc/94/98/54/647949854.db2.gz RNZZZJUYAOCNQZ-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409649091 647976079 /nfs/dbraw/zinc/97/60/79/647976079.db2.gz BEXQMUZBHWFEQP-FMEYXAORSA-N 1 2 393.325 2.490 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409649091 647976082 /nfs/dbraw/zinc/97/60/82/647976082.db2.gz BEXQMUZBHWFEQP-FMEYXAORSA-N 1 2 393.325 2.490 20 0 GEADLO COc1cnc(NC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)s1 ZINC000411129608 648024556 /nfs/dbraw/zinc/02/45/56/648024556.db2.gz UFIXYSKQXBMSPF-GFCCVEGCSA-N 1 2 382.873 2.163 20 0 GEADLO O=C(C[NH+]1CCN(c2nccc3cc(Br)ccc32)CC1)NC1CC1 ZINC000413044835 648058689 /nfs/dbraw/zinc/05/86/89/648058689.db2.gz XOGKRESMINMXMR-UHFFFAOYSA-N 1 2 389.297 2.398 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413954261 648088076 /nfs/dbraw/zinc/08/80/76/648088076.db2.gz IHJYXPJEBUAKGK-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414341389 648096498 /nfs/dbraw/zinc/09/64/98/648096498.db2.gz LJEOBMNSZQYJKO-IUCAKERBSA-N 1 2 382.313 2.205 20 0 GEADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000416663004 648206112 /nfs/dbraw/zinc/20/61/12/648206112.db2.gz LHHIGSQTLWLIFF-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000416663004 648206118 /nfs/dbraw/zinc/20/61/18/648206118.db2.gz LHHIGSQTLWLIFF-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO Fc1ccc(CNC[C@@H]2C[N@@H+](C3CC3)CCO2)c(I)c1 ZINC000417891919 648265174 /nfs/dbraw/zinc/26/51/74/648265174.db2.gz CKEUTTQXMVICFO-CQSZACIVSA-N 1 2 390.240 2.383 20 0 GEADLO Fc1ccc(CNC[C@@H]2C[N@H+](C3CC3)CCO2)c(I)c1 ZINC000417891919 648265178 /nfs/dbraw/zinc/26/51/78/648265178.db2.gz CKEUTTQXMVICFO-CQSZACIVSA-N 1 2 390.240 2.383 20 0 GEADLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(F)cc1I ZINC000418121544 648282869 /nfs/dbraw/zinc/28/28/69/648282869.db2.gz XEZVJOLPUSRAEC-YGRLFVJLSA-N 1 2 379.213 2.402 20 0 GEADLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc(F)cc1I ZINC000418121544 648282873 /nfs/dbraw/zinc/28/28/73/648282873.db2.gz XEZVJOLPUSRAEC-YGRLFVJLSA-N 1 2 379.213 2.402 20 0 GEADLO CC[C@@H](C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1)OC ZINC000419242352 648342813 /nfs/dbraw/zinc/34/28/13/648342813.db2.gz SIJYYGXJOUMOFB-AWEZNQCLSA-N 1 2 376.906 2.080 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc(Br)c1 ZINC000517511582 648568348 /nfs/dbraw/zinc/56/83/48/648568348.db2.gz VYVZXQXBEWVGDE-UHFFFAOYSA-N 1 2 379.258 2.230 20 0 GEADLO COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423271812 648588895 /nfs/dbraw/zinc/58/88/95/648588895.db2.gz YFLXUNRLYLQTBQ-HNNXBMFYSA-N 1 2 382.873 2.258 20 0 GEADLO COc1cc(NC(=O)C[NH2+]Cc2c(Br)c(C)nn2C)cc(OC)c1 ZINC000425355810 648673971 /nfs/dbraw/zinc/67/39/71/648673971.db2.gz PMDAJWJEYNPSSG-UHFFFAOYSA-N 1 2 397.273 2.237 20 0 GEADLO CCc1nc([C@H](C)[NH2+]CC(=O)NCc2ccc(S(C)(=O)=O)cc2)cs1 ZINC000425434520 648676981 /nfs/dbraw/zinc/67/69/81/648676981.db2.gz QFKFMLJVQSZNGN-LBPRGKRZSA-N 1 2 381.523 2.076 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000428488720 648735776 /nfs/dbraw/zinc/73/57/76/648735776.db2.gz YEKKHQLWLIXARZ-ZFWWWQNUSA-N 1 2 395.301 2.185 20 0 GEADLO Cc1ccc([C@@H]([NH2+]CC(=O)N(C)CC(F)(F)F)[C@H](C)S(C)(=O)=O)cc1 ZINC000435895880 648789168 /nfs/dbraw/zinc/78/91/68/648789168.db2.gz CWKZGMXEVUGFST-WFASDCNBSA-N 1 2 380.432 2.080 20 0 GEADLO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(F)cc(Br)c2O)[N@H+](C)C1 ZINC000436851331 648796881 /nfs/dbraw/zinc/79/68/81/648796881.db2.gz CQZOWCCWFQLCAK-QWRGUYRKSA-N 1 2 375.238 2.085 20 0 GEADLO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(F)cc(Br)c2O)[N@@H+](C)C1 ZINC000436851331 648796883 /nfs/dbraw/zinc/79/68/83/648796883.db2.gz CQZOWCCWFQLCAK-QWRGUYRKSA-N 1 2 375.238 2.085 20 0 GEADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000548918770 651089280 /nfs/dbraw/zinc/08/92/80/651089280.db2.gz IMEBLKKSLBLDQK-NEPJUHHUSA-N 1 2 384.502 2.406 20 0 GEADLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000548918770 651089281 /nfs/dbraw/zinc/08/92/81/651089281.db2.gz IMEBLKKSLBLDQK-NEPJUHHUSA-N 1 2 384.502 2.406 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000549125153 651092455 /nfs/dbraw/zinc/09/24/55/651092455.db2.gz CQQFBKSIWTYYFE-CVEARBPZSA-N 1 2 387.933 2.209 20 0 GEADLO COCCCn1nccc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000549784034 651100560 /nfs/dbraw/zinc/10/05/60/651100560.db2.gz WJUFDJBLUJYPFS-UHFFFAOYSA-N 1 2 394.317 2.399 20 0 GEADLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2csc(C)n2)c1 ZINC000552564034 651152760 /nfs/dbraw/zinc/15/27/60/651152760.db2.gz NPFVVVSLDLLHFU-GHMZBOCLSA-N 1 2 382.511 2.037 20 0 GEADLO O=C(NCc1sccc1Br)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553053826 651163105 /nfs/dbraw/zinc/16/31/05/651163105.db2.gz NYJMIVQUUXXHNP-UHFFFAOYSA-N 1 2 379.239 2.413 20 0 GEADLO O=C(Cc1ccon1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000553153718 651166321 /nfs/dbraw/zinc/16/63/21/651166321.db2.gz FPDADUHUGVAOIA-UHFFFAOYSA-N 1 2 379.214 2.498 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000554521305 651206354 /nfs/dbraw/zinc/20/63/54/651206354.db2.gz MLYVXHZERGLYFP-UHFFFAOYSA-N 1 2 381.263 2.254 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)Cc1ccc(Br)cc1)C2 ZINC000556832352 651254700 /nfs/dbraw/zinc/25/47/00/651254700.db2.gz CXIPYMPJYYUHLL-HNNXBMFYSA-N 1 2 392.297 2.163 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)ccc2F)C1 ZINC000556988443 651259432 /nfs/dbraw/zinc/25/94/32/651259432.db2.gz DKEDAPSVCZAPJR-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(Br)ccc2F)C1 ZINC000556988443 651259435 /nfs/dbraw/zinc/25/94/35/651259435.db2.gz DKEDAPSVCZAPJR-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)c(F)c2)C1 ZINC000556992091 651259456 /nfs/dbraw/zinc/25/94/56/651259456.db2.gz REXSHZIDMILKDG-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Br)c(F)c2)C1 ZINC000556992091 651259465 /nfs/dbraw/zinc/25/94/65/651259465.db2.gz REXSHZIDMILKDG-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO CC(C)N1C[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1=O ZINC000558486099 651280500 /nfs/dbraw/zinc/28/05/00/651280500.db2.gz RDZGMUZHUQXZJC-LBPRGKRZSA-N 1 2 378.274 2.129 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000559341014 651295866 /nfs/dbraw/zinc/29/58/66/651295866.db2.gz IPRRQUPHRSWSNH-GFCCVEGCSA-N 1 2 381.263 2.359 20 0 GEADLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000560405147 651308742 /nfs/dbraw/zinc/30/87/42/651308742.db2.gz QKMPPCXEZAGIGP-KGLIPLIRSA-N 1 2 393.285 2.427 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000560640665 651313150 /nfs/dbraw/zinc/31/31/50/651313150.db2.gz OJRBHQPXBRUJQU-ZDUSSCGKSA-N 1 2 392.253 2.358 20 0 GEADLO O=C(c1nc2ccc(Br)cn2n1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000560881259 651471116 /nfs/dbraw/zinc/47/11/16/651471116.db2.gz DOILVMXRYUJJPL-CYBMUJFWSA-N 1 2 388.225 2.180 20 0 GEADLO COc1ccc(Br)c2[nH]c(C(=O)N[C@@H](C)C[NH+]3CCOCC3)cc21 ZINC000642592755 651472822 /nfs/dbraw/zinc/47/28/22/651472822.db2.gz XZDXFLXXXSXNSK-NSHDSACASA-N 1 2 396.285 2.390 20 0 GEADLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000642624824 651473096 /nfs/dbraw/zinc/47/30/96/651473096.db2.gz JMYHZCUGRWPNPW-UHFFFAOYSA-N 1 2 390.347 2.316 20 0 GEADLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000642624824 651473099 /nfs/dbraw/zinc/47/30/99/651473099.db2.gz JMYHZCUGRWPNPW-UHFFFAOYSA-N 1 2 390.347 2.316 20 0 GEADLO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000725825288 651480492 /nfs/dbraw/zinc/48/04/92/651480492.db2.gz WKKQDQHGJHPPKE-NSHDSACASA-N 1 2 380.857 2.460 20 0 GEADLO CCS(=O)(=O)N1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000561899965 651484676 /nfs/dbraw/zinc/48/46/76/651484676.db2.gz DVZMCRZRSXEXMS-CYBMUJFWSA-N 1 2 380.432 2.484 20 0 GEADLO CCS(=O)(=O)N1CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000561899965 651484684 /nfs/dbraw/zinc/48/46/84/651484684.db2.gz DVZMCRZRSXEXMS-CYBMUJFWSA-N 1 2 380.432 2.484 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccc(F)c(Br)c2)CCO1 ZINC000726253408 651488069 /nfs/dbraw/zinc/48/80/69/651488069.db2.gz NBIOTEPTIGHEOU-GFCCVEGCSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccc(F)c(Br)c2)CCO1 ZINC000726253408 651488078 /nfs/dbraw/zinc/48/80/78/651488078.db2.gz NBIOTEPTIGHEOU-GFCCVEGCSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cccc(I)c2)CCO1 ZINC000726260221 651488848 /nfs/dbraw/zinc/48/88/48/651488848.db2.gz LFYIJEXTHBHUHL-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc(I)c2)CCO1 ZINC000726260221 651488852 /nfs/dbraw/zinc/48/88/52/651488852.db2.gz LFYIJEXTHBHUHL-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2cc(Br)ccc2F)CCO1 ZINC000726261126 651488927 /nfs/dbraw/zinc/48/89/27/651488927.db2.gz ZVRNIVIDZHUZPL-GFCCVEGCSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2cc(Br)ccc2F)CCO1 ZINC000726261126 651488929 /nfs/dbraw/zinc/48/89/29/651488929.db2.gz ZVRNIVIDZHUZPL-GFCCVEGCSA-N 1 2 388.281 2.151 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000562358254 651492679 /nfs/dbraw/zinc/49/26/79/651492679.db2.gz LSZVJJOTGRXCAM-NSHDSACASA-N 1 2 387.237 2.232 20 0 GEADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000603883572 651501038 /nfs/dbraw/zinc/50/10/38/651501038.db2.gz FIRIBOBKLCZMHW-CYBMUJFWSA-N 1 2 376.463 2.188 20 0 GEADLO CC[N@H+](CCOC)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000726785494 651502669 /nfs/dbraw/zinc/50/26/69/651502669.db2.gz ZTWVNQOJWPXXLL-QGZVFWFLSA-N 1 2 383.286 2.392 20 0 GEADLO CC[N@@H+](CCOC)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000726785494 651502673 /nfs/dbraw/zinc/50/26/73/651502673.db2.gz ZTWVNQOJWPXXLL-QGZVFWFLSA-N 1 2 383.286 2.392 20 0 GEADLO C[N@H+](C[C@@H](O)C[NH+](CCC(=O)[O-])Cc1cccc(Br)c1)C1CC1 ZINC000563290626 651523281 /nfs/dbraw/zinc/52/32/81/651523281.db2.gz YCWKJOQCTABJIH-MRXNPFEDSA-N 1 2 385.302 2.181 20 0 GEADLO C[N@@H+](C[C@@H](O)C[NH+](CCC(=O)[O-])Cc1cccc(Br)c1)C1CC1 ZINC000563290626 651523287 /nfs/dbraw/zinc/52/32/87/651523287.db2.gz YCWKJOQCTABJIH-MRXNPFEDSA-N 1 2 385.302 2.181 20 0 GEADLO C[NH+](C[C@@H](O)C[N@H+](CCC(=O)[O-])Cc1cccc(Br)c1)C1CC1 ZINC000563290626 651523295 /nfs/dbraw/zinc/52/32/95/651523295.db2.gz YCWKJOQCTABJIH-MRXNPFEDSA-N 1 2 385.302 2.181 20 0 GEADLO C[NH+](C[C@@H](O)C[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1)C1CC1 ZINC000563290626 651523300 /nfs/dbraw/zinc/52/33/00/651523300.db2.gz YCWKJOQCTABJIH-MRXNPFEDSA-N 1 2 385.302 2.181 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@H]2CCc3c2cccc3Br)CCO1 ZINC000727941929 651533286 /nfs/dbraw/zinc/53/32/86/651533286.db2.gz MLGSEACQHSRZSN-LRDDRELGSA-N 1 2 382.302 2.456 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CCc3c2cccc3Br)CCO1 ZINC000727941929 651533299 /nfs/dbraw/zinc/53/32/99/651533299.db2.gz MLGSEACQHSRZSN-LRDDRELGSA-N 1 2 382.302 2.456 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000563589606 651534851 /nfs/dbraw/zinc/53/48/51/651534851.db2.gz XDTKIHDVKDSAFN-VBNZEHGJSA-N 1 2 382.302 2.325 20 0 GEADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000728152469 651538907 /nfs/dbraw/zinc/53/89/07/651538907.db2.gz BCZXEYMWLKLLTP-UHFFFAOYSA-N 1 2 382.917 2.146 20 0 GEADLO O=S(=O)(c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1)C(F)(F)F ZINC000728566055 651546040 /nfs/dbraw/zinc/54/60/40/651546040.db2.gz ARQHWFSFQXKGNJ-CABCVRRESA-N 1 2 378.416 2.016 20 0 GEADLO O=C(c1cccc(Br)c1O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605888793 651546279 /nfs/dbraw/zinc/54/62/79/651546279.db2.gz VDJOHEFRKKYZGM-UHFFFAOYSA-N 1 2 383.286 2.339 20 0 GEADLO Cn1cccc1C(=O)N1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000728913248 651554854 /nfs/dbraw/zinc/55/48/54/651554854.db2.gz ORBXYBWYFYUMJN-QGZVFWFLSA-N 1 2 392.297 2.279 20 0 GEADLO Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000644851141 651572494 /nfs/dbraw/zinc/57/24/94/651572494.db2.gz IUVHYZSLQGYKLI-UHFFFAOYSA-N 1 2 381.523 2.457 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)Cc2csc(-c3nc[nH]n3)n2)n1 ZINC000729861052 651582064 /nfs/dbraw/zinc/58/20/64/651582064.db2.gz MZOOCUWFNDCANU-UHFFFAOYSA-N 1 2 377.499 2.408 20 0 GEADLO OCc1cn([C@H]2CCC[N@H+](Cc3cn4cc(Br)ccc4n3)C2)nn1 ZINC000645182083 651592577 /nfs/dbraw/zinc/59/25/77/651592577.db2.gz GKXNWXHGGDGFSU-HNNXBMFYSA-N 1 2 391.273 2.018 20 0 GEADLO OCc1cn([C@H]2CCC[N@@H+](Cc3cn4cc(Br)ccc4n3)C2)nn1 ZINC000645182083 651592580 /nfs/dbraw/zinc/59/25/80/651592580.db2.gz GKXNWXHGGDGFSU-HNNXBMFYSA-N 1 2 391.273 2.018 20 0 GEADLO O=S1(=O)C[C@@H](C[NH2+]Cc2ncc(Br)s2)Oc2ccccc21 ZINC000566216827 651604131 /nfs/dbraw/zinc/60/41/31/651604131.db2.gz GKZXYSDCCAYZFR-SECBINFHSA-N 1 2 389.296 2.230 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H](NS(=O)(=O)CCc2ccc(Cl)cc2)CCO1 ZINC000566791344 651613183 /nfs/dbraw/zinc/61/31/83/651613183.db2.gz YOMUISHRTPLTQR-WBVHZDCISA-N 1 2 383.901 2.456 20 0 GEADLO COC(=O)CCSCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000609613017 651627102 /nfs/dbraw/zinc/62/71/02/651627102.db2.gz ZMFVHANPFJVFDW-KRWDZBQOSA-N 1 2 382.551 2.189 20 0 GEADLO CCCC[C@H](CC)CNC(=S)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731570644 651628526 /nfs/dbraw/zinc/62/85/26/651628526.db2.gz ZMKQWWFNRGINIZ-HNNXBMFYSA-N 1 2 377.620 2.176 20 0 GEADLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cc(=O)n2ccsc2n1 ZINC000567630381 651631212 /nfs/dbraw/zinc/63/12/12/651631212.db2.gz ZUWFAXZWNYBNCR-UHFFFAOYSA-N 1 2 376.507 2.264 20 0 GEADLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cc(=O)n2ccsc2n1 ZINC000567630381 651631214 /nfs/dbraw/zinc/63/12/14/651631214.db2.gz ZUWFAXZWNYBNCR-UHFFFAOYSA-N 1 2 376.507 2.264 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCCC[C@H]1CN1CCOCC1)c1ccc(Cl)cc1 ZINC000731847484 651635636 /nfs/dbraw/zinc/63/56/36/651635636.db2.gz JKLJOHXQUKFQLS-KRWDZBQOSA-N 1 2 386.945 2.300 20 0 GEADLO O=S(=O)(CC[N@H+]1CCCC[C@H]1CN1CCOCC1)c1ccc(Cl)cc1 ZINC000731847484 651635638 /nfs/dbraw/zinc/63/56/38/651635638.db2.gz JKLJOHXQUKFQLS-KRWDZBQOSA-N 1 2 386.945 2.300 20 0 GEADLO O=C([C@H]1CCc2c[nH+]cn2C1)N(CCO)Cc1ccc(Br)s1 ZINC000567975920 651642930 /nfs/dbraw/zinc/64/29/30/651642930.db2.gz DBUWUGCLVGACIP-NSHDSACASA-N 1 2 384.299 2.291 20 0 GEADLO O=C([C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1)N1CCCC1 ZINC000732412547 651657306 /nfs/dbraw/zinc/65/73/06/651657306.db2.gz NPBPFOOQAARRHE-HNNXBMFYSA-N 1 2 384.929 2.448 20 0 GEADLO O=C([C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1)N1CCCC1 ZINC000732412547 651657312 /nfs/dbraw/zinc/65/73/12/651657312.db2.gz NPBPFOOQAARRHE-HNNXBMFYSA-N 1 2 384.929 2.448 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000732457651 651657883 /nfs/dbraw/zinc/65/78/83/651657883.db2.gz JNQMBXUFULTDDZ-NHYWBVRUSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000732457651 651657886 /nfs/dbraw/zinc/65/78/86/651657886.db2.gz JNQMBXUFULTDDZ-NHYWBVRUSA-N 1 2 376.284 2.047 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000568363367 651663837 /nfs/dbraw/zinc/66/38/37/651663837.db2.gz CVCFDNZOGGYTIR-UHFFFAOYSA-N 1 2 379.251 2.339 20 0 GEADLO O=C(NCCN1CCCC1=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000568406163 651666934 /nfs/dbraw/zinc/66/69/34/651666934.db2.gz PWLFCIMYQWCISZ-QGZVFWFLSA-N 1 2 394.313 2.325 20 0 GEADLO Cc1oc(Br)cc1C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000646346690 651690848 /nfs/dbraw/zinc/69/08/48/651690848.db2.gz MRDALEVUUJXVNT-UHFFFAOYSA-N 1 2 394.273 2.065 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000569037486 651695975 /nfs/dbraw/zinc/69/59/75/651695975.db2.gz FSCMEOORYVSXAE-MRXNPFEDSA-N 1 2 390.933 2.122 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000569037486 651695977 /nfs/dbraw/zinc/69/59/77/651695977.db2.gz FSCMEOORYVSXAE-MRXNPFEDSA-N 1 2 390.933 2.122 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Cc2ccc(Cl)cc2Br)CCO1 ZINC000733256054 651696662 /nfs/dbraw/zinc/69/66/62/651696662.db2.gz ADUFDIOQJKQAEI-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Cc2ccc(Cl)cc2Br)CCO1 ZINC000733256054 651696671 /nfs/dbraw/zinc/69/66/71/651696671.db2.gz ADUFDIOQJKQAEI-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611018803 651700661 /nfs/dbraw/zinc/70/06/61/651700661.db2.gz JYWBJQUJSQYCQD-CYBMUJFWSA-N 1 2 383.857 2.349 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611079216 651704642 /nfs/dbraw/zinc/70/46/42/651704642.db2.gz PIXSULRVOUPIPD-CYBMUJFWSA-N 1 2 383.857 2.349 20 0 GEADLO CC[C@@H](C(=O)N[C@H](CO)c1ccc(Br)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000646610912 651706889 /nfs/dbraw/zinc/70/68/89/651706889.db2.gz XEPYXYOFBLEGJW-ZACQAIPSSA-N 1 2 399.329 2.488 20 0 GEADLO CC[C@@H](C(=O)N[C@H](CO)c1ccc(Br)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000646610912 651706891 /nfs/dbraw/zinc/70/68/91/651706891.db2.gz XEPYXYOFBLEGJW-ZACQAIPSSA-N 1 2 399.329 2.488 20 0 GEADLO Cc1nc(C(=O)N2CC[NH+](CCOC(C)C)CC2)c(Br)s1 ZINC000646889497 651725893 /nfs/dbraw/zinc/72/58/93/651725893.db2.gz BMQVSPFRDKLQDJ-UHFFFAOYSA-N 1 2 376.320 2.397 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000611501170 651726750 /nfs/dbraw/zinc/72/67/50/651726750.db2.gz WMDWZNVTLCEJIV-MKBNYLNASA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000611501170 651726753 /nfs/dbraw/zinc/72/67/53/651726753.db2.gz WMDWZNVTLCEJIV-MKBNYLNASA-N 1 2 392.279 2.386 20 0 GEADLO COCCNC(=O)C1([NH2+]Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000647217258 651737161 /nfs/dbraw/zinc/73/71/61/651737161.db2.gz GPOMJHUEIUJQPH-UHFFFAOYSA-N 1 2 393.228 2.435 20 0 GEADLO Cc1cc(Br)c(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)s1 ZINC000647298785 651742935 /nfs/dbraw/zinc/74/29/35/651742935.db2.gz DZGFLQJIIPRCHO-QMMMGPOBSA-N 1 2 375.260 2.047 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000647312401 651743426 /nfs/dbraw/zinc/74/34/26/651743426.db2.gz ZTZDMQYTCWEWCL-BLLLJJGKSA-N 1 2 394.896 2.076 20 0 GEADLO Brc1ccc(CN2CCN(c3nc[nH+]c4c3OCCN4)CC2)s1 ZINC000647848251 651763215 /nfs/dbraw/zinc/76/32/15/651763215.db2.gz AWIYBPDOGZLYKK-UHFFFAOYSA-N 1 2 396.314 2.427 20 0 GEADLO CC(=O)N1CC[NH+](CCNc2ncc(Br)c3ccsc32)CC1 ZINC000647855920 651763288 /nfs/dbraw/zinc/76/32/88/651763288.db2.gz FIGWSBIJBRXGMQ-UHFFFAOYSA-N 1 2 383.315 2.635 20 0 GEADLO Cc1c(Br)cccc1CNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000570463353 651769551 /nfs/dbraw/zinc/76/95/51/651769551.db2.gz YZGZAYMRUCSRJH-UHFFFAOYSA-N 1 2 393.285 2.167 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](CCOc3ccc(Cl)cc3Br)C[C@@H]2N1 ZINC000570610266 651778299 /nfs/dbraw/zinc/77/82/99/651778299.db2.gz KDSYZVSKEYQNRX-JSGCOSHPSA-N 1 2 389.677 2.071 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](CCOc3ccc(Cl)cc3Br)C[C@@H]2N1 ZINC000570610266 651778303 /nfs/dbraw/zinc/77/83/03/651778303.db2.gz KDSYZVSKEYQNRX-JSGCOSHPSA-N 1 2 389.677 2.071 20 0 GEADLO CCCC(=O)NC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000613659760 651791344 /nfs/dbraw/zinc/79/13/44/651791344.db2.gz RRROFAVPNRIWDL-UHFFFAOYSA-N 1 2 383.290 2.163 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735760388 651795271 /nfs/dbraw/zinc/79/52/71/651795271.db2.gz WJANHAJEPMCBMK-IAQYHMDHSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735760388 651795275 /nfs/dbraw/zinc/79/52/75/651795275.db2.gz WJANHAJEPMCBMK-IAQYHMDHSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)cc2c1OCCO2 ZINC000614177879 651814752 /nfs/dbraw/zinc/81/47/52/651814752.db2.gz HLVVVZFPJHIFCO-GFCCVEGCSA-N 1 2 399.285 2.013 20 0 GEADLO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000571208269 651817515 /nfs/dbraw/zinc/81/75/15/651817515.db2.gz MYYBBYMQIGDKSB-QWRGUYRKSA-N 1 2 383.499 2.191 20 0 GEADLO Cc1c(Br)ccnc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000571744985 651850636 /nfs/dbraw/zinc/85/06/36/651850636.db2.gz DBWOFEZSXFLXBL-DGCLKSJQSA-N 1 2 383.290 2.479 20 0 GEADLO O=C([C@H]1COc2ccc(Br)cc21)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615545900 651866815 /nfs/dbraw/zinc/86/68/15/651866815.db2.gz XSFJTQYASQVEMS-ZBFHGGJFSA-N 1 2 395.297 2.248 20 0 GEADLO CC(C)(C)n1cc(Br)c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000615559337 651867728 /nfs/dbraw/zinc/86/77/28/651867728.db2.gz XURMQTAHRAHTQD-CYBMUJFWSA-N 1 2 399.333 2.337 20 0 GEADLO O=C(Nc1cc(I)ccc1O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615772167 651876112 /nfs/dbraw/zinc/87/61/12/651876112.db2.gz NBNOCOKEKGAARN-VIFPVBQESA-N 1 2 383.189 2.394 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000651222844 651876646 /nfs/dbraw/zinc/87/66/46/651876646.db2.gz MEXBQSOLQCVIAV-OCCSQVGLSA-N 1 2 383.286 2.152 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000651222844 651876649 /nfs/dbraw/zinc/87/66/49/651876649.db2.gz MEXBQSOLQCVIAV-OCCSQVGLSA-N 1 2 383.286 2.152 20 0 GEADLO CC(C)[C@]1(C)NC(=O)N(C[NH+]2CCC(n3cc(Br)cn3)CC2)C1=O ZINC000738045022 651877761 /nfs/dbraw/zinc/87/77/61/651877761.db2.gz NFKXWYXOZFHKSX-INIZCTEOSA-N 1 2 398.305 2.207 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000651647784 651892944 /nfs/dbraw/zinc/89/29/44/651892944.db2.gz JDOVROLHJXAAQR-CYBMUJFWSA-N 1 2 392.257 2.151 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccccc2Br)C(C)(C)C1 ZINC000651901452 651900548 /nfs/dbraw/zinc/90/05/48/651900548.db2.gz MCCXHQMGNWFROT-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2ccccc2Br)C(C)(C)C1 ZINC000651901452 651900556 /nfs/dbraw/zinc/90/05/56/651900556.db2.gz MCCXHQMGNWFROT-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO C[C@@](CO)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000616831949 651913103 /nfs/dbraw/zinc/91/31/03/651913103.db2.gz OZCBPQNXTRXZBZ-PXAZEXFGSA-N 1 2 378.270 2.232 20 0 GEADLO C[C@@H]1CSCCN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000572971946 651926076 /nfs/dbraw/zinc/92/60/76/651926076.db2.gz VAKLCRUTPMNMSR-BBRMVZONSA-N 1 2 383.945 2.270 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cccc(F)c2Br)CC1 ZINC000652997668 651931368 /nfs/dbraw/zinc/93/13/68/651931368.db2.gz INLBHNYLDCUTRO-UHFFFAOYSA-N 1 2 389.265 2.009 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CCO1 ZINC000741085311 651934981 /nfs/dbraw/zinc/93/49/81/651934981.db2.gz ORDBAXCVNDWCLK-SMDDNHRTSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CCO1 ZINC000741085311 651934990 /nfs/dbraw/zinc/93/49/90/651934990.db2.gz ORDBAXCVNDWCLK-SMDDNHRTSA-N 1 2 376.284 2.047 20 0 GEADLO CO[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1Br ZINC000653501003 651945690 /nfs/dbraw/zinc/94/56/90/651945690.db2.gz RQYDGPRRKMFURN-OAHLLOKOSA-N 1 2 385.302 2.364 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(Br)cc2c1OCCO2 ZINC000617721538 651966484 /nfs/dbraw/zinc/96/64/84/651966484.db2.gz QYCQCDZYSNQVTH-NEPJUHHUSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(Br)cc2c1OCCO2 ZINC000617721538 651966488 /nfs/dbraw/zinc/96/64/88/651966488.db2.gz QYCQCDZYSNQVTH-NEPJUHHUSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)C2(c3cncc(Br)c3)CC2)[C@@H](C)CO1 ZINC000617722694 651967134 /nfs/dbraw/zinc/96/71/34/651967134.db2.gz CUHMYZNKEVLEOF-STQMWFEESA-N 1 2 382.302 2.101 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)C2(c3cncc(Br)c3)CC2)[C@@H](C)CO1 ZINC000617722694 651967141 /nfs/dbraw/zinc/96/71/41/651967141.db2.gz CUHMYZNKEVLEOF-STQMWFEESA-N 1 2 382.302 2.101 20 0 GEADLO CO[C@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1Br ZINC000654680863 651967425 /nfs/dbraw/zinc/96/74/25/651967425.db2.gz KKXMNPMTWDNKIL-HNNXBMFYSA-N 1 2 385.302 2.364 20 0 GEADLO CO[C@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1Br ZINC000654680863 651967429 /nfs/dbraw/zinc/96/74/29/651967429.db2.gz KKXMNPMTWDNKIL-HNNXBMFYSA-N 1 2 385.302 2.364 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2COc3ccc(Br)cc32)[C@@H](C)CO1 ZINC000617728078 651967996 /nfs/dbraw/zinc/96/79/96/651967996.db2.gz PVQYQYMUASMMJD-YWPYICTPSA-N 1 2 383.286 2.151 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2COc3ccc(Br)cc32)[C@@H](C)CO1 ZINC000617728078 651968002 /nfs/dbraw/zinc/96/80/02/651968002.db2.gz PVQYQYMUASMMJD-YWPYICTPSA-N 1 2 383.286 2.151 20 0 GEADLO C[C@H]1CN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000742198143 651968606 /nfs/dbraw/zinc/96/86/06/651968606.db2.gz ZPNFYLQILMVNCC-XMHCIUCPSA-N 1 2 387.343 2.499 20 0 GEADLO C[C@H]1CN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000742198143 651968608 /nfs/dbraw/zinc/96/86/08/651968608.db2.gz ZPNFYLQILMVNCC-XMHCIUCPSA-N 1 2 387.343 2.499 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617743934 651969992 /nfs/dbraw/zinc/96/99/92/651969992.db2.gz PWZLTHVJTPDFNS-MGPQQGTHSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617743934 651969993 /nfs/dbraw/zinc/96/99/93/651969993.db2.gz PWZLTHVJTPDFNS-MGPQQGTHSA-N 1 2 385.302 2.442 20 0 GEADLO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CC1SC(=N)NC1=O ZINC000742599424 651994093 /nfs/dbraw/zinc/99/40/93/651994093.db2.gz UVZYREVYYHEJSP-AWEZNQCLSA-N 1 2 378.523 2.039 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=S)NCc1ccc(OC(F)(F)F)cc1 ZINC000742994803 652007662 /nfs/dbraw/zinc/00/76/62/652007662.db2.gz JNTCMFYTKPOBNY-LBPRGKRZSA-N 1 2 377.432 2.270 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=S)NCc1ccc(OC(F)(F)F)cc1 ZINC000742994803 652007664 /nfs/dbraw/zinc/00/76/64/652007664.db2.gz JNTCMFYTKPOBNY-LBPRGKRZSA-N 1 2 377.432 2.270 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=S)NCc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000742992043 652007915 /nfs/dbraw/zinc/00/79/15/652007915.db2.gz GEFZGNCRPKOJKC-LBPRGKRZSA-N 1 2 377.432 2.270 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=S)NCc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000742992043 652007916 /nfs/dbraw/zinc/00/79/16/652007916.db2.gz GEFZGNCRPKOJKC-LBPRGKRZSA-N 1 2 377.432 2.270 20 0 GEADLO Cc1c(Br)cccc1CS(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000655953201 652014981 /nfs/dbraw/zinc/01/49/81/652014981.db2.gz WXCYHOFCMHXPSZ-AWEZNQCLSA-N 1 2 379.295 2.221 20 0 GEADLO C[N@H+](CCc1cccs1)CN1C(=O)C(=O)N(CCc2cccs2)C1=O ZINC000743383740 652018696 /nfs/dbraw/zinc/01/86/96/652018696.db2.gz GWKISVWNFGELGY-UHFFFAOYSA-N 1 2 377.491 2.275 20 0 GEADLO C[N@@H+](CCc1cccs1)CN1C(=O)C(=O)N(CCc2cccs2)C1=O ZINC000743383740 652018704 /nfs/dbraw/zinc/01/87/04/652018704.db2.gz GWKISVWNFGELGY-UHFFFAOYSA-N 1 2 377.491 2.275 20 0 GEADLO COC(=O)CC[N@H+](Cn1nc(OC(C)C)sc1=S)C1CCOCC1 ZINC000743404441 652019196 /nfs/dbraw/zinc/01/91/96/652019196.db2.gz RPLOKGMNLGOSRZ-UHFFFAOYSA-N 1 2 375.516 2.463 20 0 GEADLO COC(=O)CC[N@@H+](Cn1nc(OC(C)C)sc1=S)C1CCOCC1 ZINC000743404441 652019203 /nfs/dbraw/zinc/01/92/03/652019203.db2.gz RPLOKGMNLGOSRZ-UHFFFAOYSA-N 1 2 375.516 2.463 20 0 GEADLO NC(=O)c1csc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)n1 ZINC000656715382 652048247 /nfs/dbraw/zinc/04/82/47/652048247.db2.gz SYUBTEXQNBTCJQ-VIFPVBQESA-N 1 2 376.265 2.078 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000576053120 652093101 /nfs/dbraw/zinc/09/31/01/652093101.db2.gz CWDJLHFDKXJZCE-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000576053120 652093111 /nfs/dbraw/zinc/09/31/11/652093111.db2.gz CWDJLHFDKXJZCE-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO CC[N@@H+](Cc1cccc(Br)c1)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000746026858 652094057 /nfs/dbraw/zinc/09/40/57/652094057.db2.gz SIHIWHXPNNBOEH-UHFFFAOYSA-N 1 2 382.258 2.428 20 0 GEADLO CC[N@H+](Cc1cccc(Br)c1)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000746026858 652094063 /nfs/dbraw/zinc/09/40/63/652094063.db2.gz SIHIWHXPNNBOEH-UHFFFAOYSA-N 1 2 382.258 2.428 20 0 GEADLO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746321018 652099566 /nfs/dbraw/zinc/09/95/66/652099566.db2.gz LNWMXILVCJWLJV-JSGCOSHPSA-N 1 2 377.501 2.122 20 0 GEADLO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746321018 652099577 /nfs/dbraw/zinc/09/95/77/652099577.db2.gz LNWMXILVCJWLJV-JSGCOSHPSA-N 1 2 377.501 2.122 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000746467458 652109009 /nfs/dbraw/zinc/10/90/09/652109009.db2.gz KRZICAMAADXTOQ-XMMPIXPASA-N 1 2 392.352 2.318 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000746771272 652124968 /nfs/dbraw/zinc/12/49/68/652124968.db2.gz LREQTVJGABGFLJ-OAHLLOKOSA-N 1 2 389.949 2.455 20 0 GEADLO COCC(=O)Nc1cccc(C[NH2+]Cc2c(Br)c(C)nn2C)c1 ZINC000576663609 652135542 /nfs/dbraw/zinc/13/55/42/652135542.db2.gz XNCVNUVVIRRSJC-UHFFFAOYSA-N 1 2 381.274 2.366 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000576715268 652139434 /nfs/dbraw/zinc/13/94/34/652139434.db2.gz HWFZJCPRZBJPQG-DGCLKSJQSA-N 1 2 398.276 2.457 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000576715268 652139437 /nfs/dbraw/zinc/13/94/37/652139437.db2.gz HWFZJCPRZBJPQG-DGCLKSJQSA-N 1 2 398.276 2.457 20 0 GEADLO CCc1cc(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)on1 ZINC000576807401 652144082 /nfs/dbraw/zinc/14/40/82/652144082.db2.gz OZWFYQOTAURXEA-SECBINFHSA-N 1 2 388.287 2.498 20 0 GEADLO CNS(=O)(=O)CC[NH+]1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000621312666 652148524 /nfs/dbraw/zinc/14/85/24/652148524.db2.gz BLFHPPHGDTXXJQ-UHFFFAOYSA-N 1 2 386.732 2.318 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1CSC1=NCCS1 ZINC000747207685 652149062 /nfs/dbraw/zinc/14/90/62/652149062.db2.gz MZPMPHMTBZTMAB-AWEZNQCLSA-N 1 2 379.551 2.473 20 0 GEADLO CCc1ccc(CNC(=O)C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)s1 ZINC000621356680 652151342 /nfs/dbraw/zinc/15/13/42/652151342.db2.gz UQJPCHUNYOHYSS-QGZVFWFLSA-N 1 2 378.519 2.186 20 0 GEADLO CN1CC[NH+](CCCCNC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000576908518 652152388 /nfs/dbraw/zinc/15/23/88/652152388.db2.gz ROXPIPGLRJUJQQ-UHFFFAOYSA-N 1 2 388.281 2.051 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000577022640 652163709 /nfs/dbraw/zinc/16/37/09/652163709.db2.gz DMFYRZIHMWEZBM-UHFFFAOYSA-N 1 2 389.213 2.389 20 0 GEADLO O=S1(=O)CCO[C@@H](CNc2cc[nH+]c3cc(F)c(Br)cc23)C1 ZINC000577033928 652164508 /nfs/dbraw/zinc/16/45/08/652164508.db2.gz UQESNMTXYMXNEN-VIFPVBQESA-N 1 2 389.246 2.362 20 0 GEADLO O=C1[C@H]([NH2+]Cc2cc3n(n2)CCC3)CCN1c1cccc(Br)c1 ZINC000657451228 652165184 /nfs/dbraw/zinc/16/51/84/652165184.db2.gz LEPCHQNSEHDYOI-MRXNPFEDSA-N 1 2 375.270 2.487 20 0 GEADLO Cc1c(F)c(Br)ccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000657503283 652167598 /nfs/dbraw/zinc/16/75/98/652167598.db2.gz YYFQNXDJBHFUQM-UHFFFAOYSA-N 1 2 383.221 2.238 20 0 GEADLO O=C(c1cc2c(cc1Br)OCO2)N1CC(Oc2cc[nH+]cc2)C1 ZINC000621851934 652169233 /nfs/dbraw/zinc/16/92/33/652169233.db2.gz IKXOIHNMGPKVCS-UHFFFAOYSA-N 1 2 377.194 2.476 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(OC)ccc2Br)C1 ZINC000577307164 652177967 /nfs/dbraw/zinc/17/79/67/652177967.db2.gz IXWYCLTWRDNHNP-GFCCVEGCSA-N 1 2 399.285 2.073 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(OC)ccc2Br)C1 ZINC000577307164 652177972 /nfs/dbraw/zinc/17/79/72/652177972.db2.gz IXWYCLTWRDNHNP-GFCCVEGCSA-N 1 2 399.285 2.073 20 0 GEADLO C[C@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)CS1(=O)=O ZINC000657638956 652183645 /nfs/dbraw/zinc/18/36/45/652183645.db2.gz NUHQWBAKANZSQE-RYUDHWBXSA-N 1 2 399.314 2.085 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000747999473 652187902 /nfs/dbraw/zinc/18/79/02/652187902.db2.gz ICRLQTJQEKFMMQ-UHFFFAOYSA-N 1 2 384.889 2.332 20 0 GEADLO [NH3+][C@H](C(=O)N[C@H]1CCN(c2ccccc2Br)C1)c1cscn1 ZINC000577489165 652192477 /nfs/dbraw/zinc/19/24/77/652192477.db2.gz NYIOROQLPSHPDX-HZMBPMFUSA-N 1 2 381.299 2.301 20 0 GEADLO O=C([C@@H]1CCCS1(=O)=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000577526621 652194573 /nfs/dbraw/zinc/19/45/73/652194573.db2.gz GAYGGWUXSBHLTL-KRWDZBQOSA-N 1 2 384.929 2.342 20 0 GEADLO CN(C(=O)C(C)(C)S(=O)(=O)C1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000622676243 652198176 /nfs/dbraw/zinc/19/81/76/652198176.db2.gz SOQZJPDIIHMABR-UHFFFAOYSA-N 1 2 384.464 2.217 20 0 GEADLO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000657806889 652207691 /nfs/dbraw/zinc/20/76/91/652207691.db2.gz GFSHASDRIWPVCZ-JTQLQIEISA-N 1 2 395.232 2.163 20 0 GEADLO O=C(CCNC(=O)c1ccc(Cl)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000623101897 652225297 /nfs/dbraw/zinc/22/52/97/652225297.db2.gz RBPZARIWGMKHDQ-UHFFFAOYSA-N 1 2 378.885 2.265 20 0 GEADLO OCCCCN1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000749366766 652249250 /nfs/dbraw/zinc/24/92/50/652249250.db2.gz RODVHSDBCSFGLE-AWEZNQCLSA-N 1 2 377.312 2.123 20 0 GEADLO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CCCc3scnc32)c1 ZINC000623895221 652266509 /nfs/dbraw/zinc/26/65/09/652266509.db2.gz LLTDXSSJJHUNDV-HNNXBMFYSA-N 1 2 381.523 2.235 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000624140195 652272874 /nfs/dbraw/zinc/27/28/74/652272874.db2.gz JRIJFONOHFGFHF-IPALMDDQSA-N 1 2 379.298 2.172 20 0 GEADLO C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cc(Cl)ccc1OC(F)F ZINC000624283181 652279825 /nfs/dbraw/zinc/27/98/25/652279825.db2.gz HBXPUIHPJLLLJD-VIFPVBQESA-N 1 2 383.848 2.083 20 0 GEADLO Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c(F)c1F ZINC000625085945 652326118 /nfs/dbraw/zinc/32/61/18/652326118.db2.gz XJYNWIHWOITDRT-UHFFFAOYSA-N 1 2 376.469 2.252 20 0 GEADLO CN(CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(=O)c1ccc(Br)o1 ZINC000625206872 652331723 /nfs/dbraw/zinc/33/17/23/652331723.db2.gz GRGBJNOIXRZZRP-UHFFFAOYSA-N 1 2 395.257 2.243 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)Cc1ccccc1Br)C2 ZINC000579984168 652362614 /nfs/dbraw/zinc/36/26/14/652362614.db2.gz UGLARCMHYJPRIY-AWEZNQCLSA-N 1 2 392.297 2.163 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@H]3CSCCS3)cc2)CC1 ZINC000751699929 652364362 /nfs/dbraw/zinc/36/43/62/652364362.db2.gz RSBHWZRDDJWCMA-INIZCTEOSA-N 1 2 379.551 2.251 20 0 GEADLO CC(C)(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000580242835 652372202 /nfs/dbraw/zinc/37/22/02/652372202.db2.gz ZLKBHZNMEPHGJW-CYBMUJFWSA-N 1 2 381.885 2.220 20 0 GEADLO Cc1nc(CC[N@@H+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)no1 ZINC000660055027 652380098 /nfs/dbraw/zinc/38/00/98/652380098.db2.gz ZLBUEMFZQPXRTP-UHFFFAOYSA-N 1 2 378.230 2.374 20 0 GEADLO Cc1nc(CC[N@H+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)no1 ZINC000660055027 652380100 /nfs/dbraw/zinc/38/01/00/652380100.db2.gz ZLBUEMFZQPXRTP-UHFFFAOYSA-N 1 2 378.230 2.374 20 0 GEADLO O=C(CC1CC[NH2+]CC1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000580428821 652380339 /nfs/dbraw/zinc/38/03/39/652380339.db2.gz AOYKDBSDRKSOIU-UHFFFAOYSA-N 1 2 380.495 2.272 20 0 GEADLO O=C(c1ccc(Br)c(F)c1F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000626081229 652381951 /nfs/dbraw/zinc/38/19/51/652381951.db2.gz AJLPIPXMLPLRAS-JTQLQIEISA-N 1 2 375.213 2.274 20 0 GEADLO NS(=O)(=O)c1cc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)co1 ZINC000626101685 652382514 /nfs/dbraw/zinc/38/25/14/652382514.db2.gz AJYCQKGLPVQRHC-CYBMUJFWSA-N 1 2 379.265 2.447 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000626170516 652383789 /nfs/dbraw/zinc/38/37/89/652383789.db2.gz IMKPOFVZVGTUOJ-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000626170516 652383793 /nfs/dbraw/zinc/38/37/93/652383793.db2.gz IMKPOFVZVGTUOJ-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO CCCS(=O)(=O)CC[N@@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000752355684 652384891 /nfs/dbraw/zinc/38/48/91/652384891.db2.gz RNBSSOYXLHRRCL-OAHLLOKOSA-N 1 2 389.587 2.183 20 0 GEADLO CCCS(=O)(=O)CC[N@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000752355684 652384894 /nfs/dbraw/zinc/38/48/94/652384894.db2.gz RNBSSOYXLHRRCL-OAHLLOKOSA-N 1 2 389.587 2.183 20 0 GEADLO Cn1[nH]c([C@@H]2CCC[N@@H+]2C[C@H](O)COc2c(Cl)cccc2Cl)nc1=N ZINC000580695787 652388898 /nfs/dbraw/zinc/38/88/98/652388898.db2.gz HVQPCXCGGQDOJV-GWCFXTLKSA-N 1 2 386.283 2.111 20 0 GEADLO Cn1[nH]c([C@@H]2CCC[N@H+]2C[C@H](O)COc2c(Cl)cccc2Cl)nc1=N ZINC000580695787 652388900 /nfs/dbraw/zinc/38/89/00/652388900.db2.gz HVQPCXCGGQDOJV-GWCFXTLKSA-N 1 2 386.283 2.111 20 0 GEADLO C[C@@H]1C[NH+](CCN2CCNC(=O)[C@H]2c2ccccc2Br)C[C@@H](C)O1 ZINC000660162068 652392035 /nfs/dbraw/zinc/39/20/35/652392035.db2.gz RSZZNDITQQTROO-CKEIUWERSA-N 1 2 396.329 2.031 20 0 GEADLO CC(C)(CNC(=O)N[C@H](CO)c1cccc(Cl)c1Cl)[NH+]1CCOCC1 ZINC000660214582 652395967 /nfs/dbraw/zinc/39/59/67/652395967.db2.gz FFKBSRCEVMYMKO-CQSZACIVSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752949396 652396754 /nfs/dbraw/zinc/39/67/54/652396754.db2.gz GGMCZLZLMBKZNA-MQIPJXDCSA-N 1 2 390.311 2.435 20 0 GEADLO C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752949396 652396756 /nfs/dbraw/zinc/39/67/56/652396756.db2.gz GGMCZLZLMBKZNA-MQIPJXDCSA-N 1 2 390.311 2.435 20 0 GEADLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)c1c[nH]c2ncc(Br)cc12 ZINC000660317145 652398399 /nfs/dbraw/zinc/39/83/99/652398399.db2.gz NFVCQZNTVRSGPH-UHFFFAOYSA-N 1 2 388.225 2.062 20 0 GEADLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)c1c[nH]c2ncc(Br)cc12 ZINC000660317145 652398401 /nfs/dbraw/zinc/39/84/01/652398401.db2.gz NFVCQZNTVRSGPH-UHFFFAOYSA-N 1 2 388.225 2.062 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000660345967 652399252 /nfs/dbraw/zinc/39/92/52/652399252.db2.gz QEEZSEAVNAWNMI-SMDDNHRTSA-N 1 2 376.284 2.047 20 0 GEADLO COC[C@@H]1C[C@@H](OC)C[N@@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660505257 652404978 /nfs/dbraw/zinc/40/49/78/652404978.db2.gz RXOVEBNCSYNAHN-NWDGAFQWSA-N 1 2 382.258 2.244 20 0 GEADLO COC[C@@H]1C[C@@H](OC)C[N@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660505257 652404979 /nfs/dbraw/zinc/40/49/79/652404979.db2.gz RXOVEBNCSYNAHN-NWDGAFQWSA-N 1 2 382.258 2.244 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Br)cnc2OC)C1 ZINC000660906690 652414123 /nfs/dbraw/zinc/41/41/23/652414123.db2.gz VLAIGGBNEFKLMV-ZDUSSCGKSA-N 1 2 396.207 2.353 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Br)cnc2OC)C1 ZINC000660906690 652414130 /nfs/dbraw/zinc/41/41/30/652414130.db2.gz VLAIGGBNEFKLMV-ZDUSSCGKSA-N 1 2 396.207 2.353 20 0 GEADLO C[C@H]1COCC[N@H+](CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753985537 652422104 /nfs/dbraw/zinc/42/21/04/652422104.db2.gz IQEZOUNOWMSYRA-ACJLOTCBSA-N 1 2 395.297 2.392 20 0 GEADLO C[C@H]1COCC[N@@H+](CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753985537 652422108 /nfs/dbraw/zinc/42/21/08/652422108.db2.gz IQEZOUNOWMSYRA-ACJLOTCBSA-N 1 2 395.297 2.392 20 0 GEADLO C[C@@H]1COCC[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000753988617 652422504 /nfs/dbraw/zinc/42/25/04/652422504.db2.gz YKGDLJLUOXSAQW-SJCJKPOMSA-N 1 2 396.285 2.142 20 0 GEADLO C[C@@H]1COCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000753988617 652422507 /nfs/dbraw/zinc/42/25/07/652422507.db2.gz YKGDLJLUOXSAQW-SJCJKPOMSA-N 1 2 396.285 2.142 20 0 GEADLO O=C(NCCOc1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661258249 652424905 /nfs/dbraw/zinc/42/49/05/652424905.db2.gz HSPCVYZJZPZWDM-ZDUSSCGKSA-N 1 2 388.295 2.488 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C[C@H]1C ZINC000754045876 652425393 /nfs/dbraw/zinc/42/53/93/652425393.db2.gz BGXBWFUORKBMKL-SNVBAGLBSA-N 1 2 395.308 2.495 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C[C@H]1C ZINC000754045876 652425395 /nfs/dbraw/zinc/42/53/95/652425395.db2.gz BGXBWFUORKBMKL-SNVBAGLBSA-N 1 2 395.308 2.495 20 0 GEADLO Cc1c(Br)cccc1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661360882 652428688 /nfs/dbraw/zinc/42/86/88/652428688.db2.gz IOBAZVXRWNHDDE-OAHLLOKOSA-N 1 2 382.302 2.374 20 0 GEADLO Cc1cc(Br)c(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000661852150 652441741 /nfs/dbraw/zinc/44/17/41/652441741.db2.gz MFQYEBPUBSRZNK-GFCCVEGCSA-N 1 2 388.331 2.435 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662015325 652445057 /nfs/dbraw/zinc/44/50/57/652445057.db2.gz WSPUOISQDCQQLB-DOMZBBRYSA-N 1 2 397.317 2.464 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662015325 652445059 /nfs/dbraw/zinc/44/50/59/652445059.db2.gz WSPUOISQDCQQLB-DOMZBBRYSA-N 1 2 397.317 2.464 20 0 GEADLO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ncc(Br)cc1F ZINC000628154460 652453502 /nfs/dbraw/zinc/45/35/02/652453502.db2.gz XPNQAMBUJJSGHT-CYBMUJFWSA-N 1 2 379.270 2.218 20 0 GEADLO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1ncc(Br)cc1F ZINC000628154460 652453507 /nfs/dbraw/zinc/45/35/07/652453507.db2.gz XPNQAMBUJJSGHT-CYBMUJFWSA-N 1 2 379.270 2.218 20 0 GEADLO Cc1cc(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)ncc1Br ZINC000628188048 652454531 /nfs/dbraw/zinc/45/45/31/652454531.db2.gz LPRRLINAUKCCBZ-OAHLLOKOSA-N 1 2 395.345 2.281 20 0 GEADLO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ncc(Br)cc2F)C1 ZINC000628241715 652455716 /nfs/dbraw/zinc/45/57/16/652455716.db2.gz FHXRHDBHQHLXGL-QMMMGPOBSA-N 1 2 384.171 2.484 20 0 GEADLO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2ncc(Br)cc2F)C1 ZINC000628241715 652455721 /nfs/dbraw/zinc/45/57/21/652455721.db2.gz FHXRHDBHQHLXGL-QMMMGPOBSA-N 1 2 384.171 2.484 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628235499 652455822 /nfs/dbraw/zinc/45/58/22/652455822.db2.gz PVGDKOLIAYTJPX-GFCCVEGCSA-N 1 2 384.395 2.280 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628235499 652455823 /nfs/dbraw/zinc/45/58/23/652455823.db2.gz PVGDKOLIAYTJPX-GFCCVEGCSA-N 1 2 384.395 2.280 20 0 GEADLO CCn1c(-c2cccc(Br)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000582654212 652457777 /nfs/dbraw/zinc/45/77/77/652457777.db2.gz XTLPGYTYLBVISJ-UHFFFAOYSA-N 1 2 394.317 2.496 20 0 GEADLO O=C(c1cccc(I)c1O)N1CC[NH+](C2CCC2)CC1 ZINC000755318463 652462957 /nfs/dbraw/zinc/46/29/57/652462957.db2.gz ZCWMYEBXKOPQKY-UHFFFAOYSA-N 1 2 386.233 2.307 20 0 GEADLO CSc1ccc(Cl)c(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC000628579102 652463690 /nfs/dbraw/zinc/46/36/90/652463690.db2.gz PTHTYAJCWALUOP-GOSISDBHSA-N 1 2 384.929 2.408 20 0 GEADLO CSc1ccc(Cl)c(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC000628579102 652463693 /nfs/dbraw/zinc/46/36/93/652463693.db2.gz PTHTYAJCWALUOP-GOSISDBHSA-N 1 2 384.929 2.408 20 0 GEADLO O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000662539179 652466851 /nfs/dbraw/zinc/46/68/51/652466851.db2.gz RBDWKSIFHXSLJF-UHFFFAOYSA-N 1 2 399.270 2.222 20 0 GEADLO O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC(C2N=NC(=O)O2)CC1 ZINC000662539179 652466853 /nfs/dbraw/zinc/46/68/53/652466853.db2.gz RBDWKSIFHXSLJF-UHFFFAOYSA-N 1 2 399.270 2.222 20 0 GEADLO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000628678122 652466945 /nfs/dbraw/zinc/46/69/45/652466945.db2.gz XLWOHVLVAIEPQS-GDBMZVCRSA-N 1 2 383.286 2.452 20 0 GEADLO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000628678122 652466948 /nfs/dbraw/zinc/46/69/48/652466948.db2.gz XLWOHVLVAIEPQS-GDBMZVCRSA-N 1 2 383.286 2.452 20 0 GEADLO C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O)[NH+]1CC(C)C1 ZINC000583213152 652477412 /nfs/dbraw/zinc/47/74/12/652477412.db2.gz YYFUXQOALIMEGS-JTQLQIEISA-N 1 2 379.404 2.356 20 0 GEADLO COCC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000755879502 652479567 /nfs/dbraw/zinc/47/95/67/652479567.db2.gz HJONOMATCDCQPS-CYBMUJFWSA-N 1 2 380.432 2.437 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2csc(COc3ccccc3)n2)CC1 ZINC000755952245 652482056 /nfs/dbraw/zinc/48/20/56/652482056.db2.gz IQUXXZONQNWJIU-RUZDIDTESA-N 1 2 379.551 2.218 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000583382735 652482734 /nfs/dbraw/zinc/48/27/34/652482734.db2.gz KWKRYXLEHFDUDB-GUYCJALGSA-N 1 2 380.330 2.231 20 0 GEADLO Cc1ncc(S(=O)(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)n1C ZINC000629349518 652492090 /nfs/dbraw/zinc/49/20/90/652492090.db2.gz PMWCAOLOSTVRLP-UHFFFAOYSA-N 1 2 380.539 2.387 20 0 GEADLO Cc1nc(NC[C@]2(N3CCOCC3)CCSC2)c(Br)c(C)[nH+]1 ZINC000663416520 652497349 /nfs/dbraw/zinc/49/73/49/652497349.db2.gz OGSYDYWJZYUKBO-OAHLLOKOSA-N 1 2 387.347 2.476 20 0 GEADLO O=c1c(Br)c(N[C@@H]2CC[N@@H+](C3CC3)C2)cnn1-c1ccccn1 ZINC000663425479 652498665 /nfs/dbraw/zinc/49/86/65/652498665.db2.gz QTLSNTCZOSHHML-LLVKDONJSA-N 1 2 376.258 2.039 20 0 GEADLO O=c1c(Br)c(N[C@@H]2CC[N@H+](C3CC3)C2)cnn1-c1ccccn1 ZINC000663425479 652498666 /nfs/dbraw/zinc/49/86/66/652498666.db2.gz QTLSNTCZOSHHML-LLVKDONJSA-N 1 2 376.258 2.039 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000583969153 652504405 /nfs/dbraw/zinc/50/44/05/652504405.db2.gz MIBOEXCNLURMFE-UHFFFAOYSA-N 1 2 396.669 2.496 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(Br)c(F)c2)[C@@H](C)CO1 ZINC000663862694 652513800 /nfs/dbraw/zinc/51/38/00/652513800.db2.gz CUOUYIFWULBPKP-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(Br)c(F)c2)[C@@H](C)CO1 ZINC000663862694 652513805 /nfs/dbraw/zinc/51/38/05/652513805.db2.gz CUOUYIFWULBPKP-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccccc2Br)[C@H](C)CO1 ZINC000663870767 652514430 /nfs/dbraw/zinc/51/44/30/652514430.db2.gz IZMHWUIACHYTMS-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccccc2Br)[C@H](C)CO1 ZINC000663870767 652514431 /nfs/dbraw/zinc/51/44/31/652514431.db2.gz IZMHWUIACHYTMS-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO Cc1nc(NCC2(N3CCOCC3)CCOCC2)c(Br)c(C)[nH+]1 ZINC000663999442 652518000 /nfs/dbraw/zinc/51/80/00/652518000.db2.gz QIBQRJWANURBGO-UHFFFAOYSA-N 1 2 385.306 2.149 20 0 GEADLO COc1ccc(S(=O)(=O)N(CCc2c[nH+]cn2C)c2nccs2)cc1 ZINC000664003795 652518064 /nfs/dbraw/zinc/51/80/64/652518064.db2.gz UCQHYUUHCVNXOF-UHFFFAOYSA-N 1 2 378.479 2.323 20 0 GEADLO COC[C@@H](C)NC(=S)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000757941732 652526179 /nfs/dbraw/zinc/52/61/79/652526179.db2.gz WAUIPKJSEHPHAP-LLVKDONJSA-N 1 2 385.331 2.447 20 0 GEADLO O=S(=O)(c1onc(C2CC2)c1Cl)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000631814706 652536226 /nfs/dbraw/zinc/53/62/26/652536226.db2.gz RDZPQVIJZLICRD-CYBMUJFWSA-N 1 2 389.905 2.081 20 0 GEADLO O=S(=O)(c1onc(C2CC2)c1Cl)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000631814706 652536228 /nfs/dbraw/zinc/53/62/28/652536228.db2.gz RDZPQVIJZLICRD-CYBMUJFWSA-N 1 2 389.905 2.081 20 0 GEADLO CCC[C@@H]1CN(C(=O)c2scnc2Br)CC[N@@H+]1CCOC ZINC000758431630 652541396 /nfs/dbraw/zinc/54/13/96/652541396.db2.gz JBHJCESHXKTQJJ-LLVKDONJSA-N 1 2 376.320 2.479 20 0 GEADLO CCC[C@@H]1CN(C(=O)c2scnc2Br)CC[N@H+]1CCOC ZINC000758431630 652541399 /nfs/dbraw/zinc/54/13/99/652541399.db2.gz JBHJCESHXKTQJJ-LLVKDONJSA-N 1 2 376.320 2.479 20 0 GEADLO O=S(=O)(c1cscc1Br)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000631936201 652542166 /nfs/dbraw/zinc/54/21/66/652542166.db2.gz WTSJBJZALGAGQB-LBPRGKRZSA-N 1 2 388.312 2.241 20 0 GEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(I)c(F)c1 ZINC000587051351 652544242 /nfs/dbraw/zinc/54/42/42/652544242.db2.gz MFMOTWSEAHZZMX-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000758580993 652547627 /nfs/dbraw/zinc/54/76/27/652547627.db2.gz XTRUQSIITZTUTA-WBMJQRKESA-N 1 2 390.311 2.437 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000758580993 652547632 /nfs/dbraw/zinc/54/76/32/652547632.db2.gz XTRUQSIITZTUTA-WBMJQRKESA-N 1 2 390.311 2.437 20 0 GEADLO O=C(COc1ccc(Br)cn1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000632078723 652549812 /nfs/dbraw/zinc/54/98/12/652549812.db2.gz BJMDLNMMZITNKN-CYBMUJFWSA-N 1 2 377.242 2.013 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632276373 652554807 /nfs/dbraw/zinc/55/48/07/652554807.db2.gz HYIOTYTZUBYVGW-UHFFFAOYSA-N 1 2 379.408 2.288 20 0 GEADLO COc1ccc(CCC(=O)N[C@H](C)C[NH+]2CCOCC2)c(Br)c1 ZINC000666429016 652576635 /nfs/dbraw/zinc/57/66/35/652576635.db2.gz CJOAOLOGNOIIFE-CYBMUJFWSA-N 1 2 385.302 2.227 20 0 GEADLO Cc1cc(Br)c(CNC(=O)N(C)CC[NH+]2CCOCC2)s1 ZINC000666642424 652582687 /nfs/dbraw/zinc/58/26/87/652582687.db2.gz PLAVSMWGYRIKKU-UHFFFAOYSA-N 1 2 376.320 2.293 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000759715394 652584505 /nfs/dbraw/zinc/58/45/05/652584505.db2.gz FJSGRCOADFEWDM-QHCPKHFHSA-N 1 2 396.354 2.493 20 0 GEADLO C[C@]1(c2ccccc2Br)NC(=O)N(C[NH+]2CCC(C)(O)CC2)C1=O ZINC000759751994 652585363 /nfs/dbraw/zinc/58/53/63/652585363.db2.gz OPYSVOFREHOFDT-QGZVFWFLSA-N 1 2 396.285 2.020 20 0 GEADLO COCCC[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000759850393 652588931 /nfs/dbraw/zinc/58/89/31/652588931.db2.gz HFIISILBIPJXNF-BBRMVZONSA-N 1 2 379.881 2.038 20 0 GEADLO COCCC[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000759850393 652588938 /nfs/dbraw/zinc/58/89/38/652588938.db2.gz HFIISILBIPJXNF-BBRMVZONSA-N 1 2 379.881 2.038 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000592200354 652591019 /nfs/dbraw/zinc/59/10/19/652591019.db2.gz VZDKVMYCTVZXLX-LOWVWBTDSA-N 1 2 389.279 2.026 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000592200354 652591020 /nfs/dbraw/zinc/59/10/20/652591020.db2.gz VZDKVMYCTVZXLX-LOWVWBTDSA-N 1 2 389.279 2.026 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)c1 ZINC000633298952 652592472 /nfs/dbraw/zinc/59/24/72/652592472.db2.gz PTDTXZVURIFNDP-ARFHVFGLSA-N 1 2 375.270 2.363 20 0 GEADLO COc1ccccc1-c1cc(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)on1 ZINC000633735926 652609755 /nfs/dbraw/zinc/60/97/55/652609755.db2.gz ULPUEONKRPYQBO-UHFFFAOYSA-N 1 2 379.463 2.349 20 0 GEADLO C[N@H+](Cc1cc(Cl)ccc1I)CC(C)(CO)CO ZINC000593021705 652612046 /nfs/dbraw/zinc/61/20/46/652612046.db2.gz WZWHQVWVFVXZMU-UHFFFAOYSA-N 1 2 383.657 2.367 20 0 GEADLO C[N@@H+](Cc1cc(Cl)ccc1I)CC(C)(CO)CO ZINC000593021705 652612049 /nfs/dbraw/zinc/61/20/49/652612049.db2.gz WZWHQVWVFVXZMU-UHFFFAOYSA-N 1 2 383.657 2.367 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)CS(=O)(=O)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000633767326 652612649 /nfs/dbraw/zinc/61/26/49/652612649.db2.gz VYSGTFAFNBLMLU-CQSZACIVSA-N 1 2 378.416 2.002 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C[C@H]1C1CC1 ZINC000593131645 652615096 /nfs/dbraw/zinc/61/50/96/652615096.db2.gz WECDQJYPKRMLRE-ZNMIVQPWSA-N 1 2 381.270 2.107 20 0 GEADLO COC(=O)[C@@H]1C[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C[C@H]1C1CC1 ZINC000593131645 652615101 /nfs/dbraw/zinc/61/51/01/652615101.db2.gz WECDQJYPKRMLRE-ZNMIVQPWSA-N 1 2 381.270 2.107 20 0 GEADLO Cn1cc(Br)cc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633895036 652619154 /nfs/dbraw/zinc/61/91/54/652619154.db2.gz LFWZXAUUFJVFPA-UHFFFAOYSA-N 1 2 378.270 2.451 20 0 GEADLO COc1cc(NC(=O)N2CC[NH+](CCO)CC2)c(Cl)cc1Br ZINC000668034888 652626271 /nfs/dbraw/zinc/62/62/71/652626271.db2.gz WBRGXSFTWRNOIS-UHFFFAOYSA-N 1 2 392.681 2.253 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(Br)cc2c1OCCO2 ZINC000668169073 652631279 /nfs/dbraw/zinc/63/12/79/652631279.db2.gz IEGBEGCCBCIXQM-UHFFFAOYSA-N 1 2 399.285 2.061 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(Br)cc2c1OCCO2 ZINC000668169073 652631283 /nfs/dbraw/zinc/63/12/83/652631283.db2.gz IEGBEGCCBCIXQM-UHFFFAOYSA-N 1 2 399.285 2.061 20 0 GEADLO C[C@@H](NC(=O)c1nn(C(C)(C)C)cc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000668319414 652637764 /nfs/dbraw/zinc/63/77/64/652637764.db2.gz HVUDPUCRIAUJRI-NEPJUHHUSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H](C(=O)NC(N)=O)[NH+]1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000594045818 652638143 /nfs/dbraw/zinc/63/81/43/652638143.db2.gz ZVBUUFORRSGQIU-QMMMGPOBSA-N 1 2 379.675 2.352 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000761284143 652641306 /nfs/dbraw/zinc/64/13/06/652641306.db2.gz SPBLISGLSVJTNX-SJKOYZFVSA-N 1 2 385.295 2.006 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000761284143 652641308 /nfs/dbraw/zinc/64/13/08/652641308.db2.gz SPBLISGLSVJTNX-SJKOYZFVSA-N 1 2 385.295 2.006 20 0 GEADLO CO[C@]1(CO)CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000668498467 652645260 /nfs/dbraw/zinc/64/52/60/652645260.db2.gz KNXHLMMBJJUIOL-MRXNPFEDSA-N 1 2 381.274 2.003 20 0 GEADLO CO[C@]1(CO)CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000668498467 652645262 /nfs/dbraw/zinc/64/52/62/652645262.db2.gz KNXHLMMBJJUIOL-MRXNPFEDSA-N 1 2 381.274 2.003 20 0 GEADLO Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)C2 ZINC000668569577 652648233 /nfs/dbraw/zinc/64/82/33/652648233.db2.gz BULHVWWCLGLIEP-GFCCVEGCSA-N 1 2 391.269 2.001 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)c(F)cc1Br ZINC000634661224 652651513 /nfs/dbraw/zinc/65/15/13/652651513.db2.gz MMUDITOCPPNZQG-JTQLQIEISA-N 1 2 388.262 2.386 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000634660857 652651675 /nfs/dbraw/zinc/65/16/75/652651675.db2.gz DJMRHPSOHDQKQJ-SNVBAGLBSA-N 1 2 388.262 2.386 20 0 GEADLO O=S(=O)(N[C@H]1CCn2c[nH+]cc2C1)c1cc(Cl)ccc1OC(F)F ZINC000634661637 652652419 /nfs/dbraw/zinc/65/24/19/652652419.db2.gz XVGUPLQWOIMZDN-JTQLQIEISA-N 1 2 377.800 2.431 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000668665432 652657801 /nfs/dbraw/zinc/65/78/01/652657801.db2.gz RSTVBAJZBMHCCV-UHFFFAOYSA-N 1 2 388.302 2.041 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@H+]1CCC(CO)(CO)C1 ZINC000668665432 652657810 /nfs/dbraw/zinc/65/78/10/652657810.db2.gz RSTVBAJZBMHCCV-UHFFFAOYSA-N 1 2 388.302 2.041 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000761828019 652658958 /nfs/dbraw/zinc/65/89/58/652658958.db2.gz YBUFLGVIJVZVCL-UHFFFAOYSA-N 1 2 397.299 2.371 20 0 GEADLO CS(=O)(=O)Nc1cccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000635216696 652700801 /nfs/dbraw/zinc/70/08/01/652700801.db2.gz KSJSDHLAHAAOIQ-LBPRGKRZSA-N 1 2 376.360 2.387 20 0 GEADLO CCCCN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000635405812 652724952 /nfs/dbraw/zinc/72/49/52/652724952.db2.gz HNHDMTKMHLXQLC-CHWSQXEVSA-N 1 2 381.420 2.192 20 0 GEADLO CCCCNC(=O)[C@H]1CSCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459354 652730857 /nfs/dbraw/zinc/73/08/57/652730857.db2.gz AXTQBXGXRVFAOP-NEPJUHHUSA-N 1 2 378.420 2.194 20 0 GEADLO CC(C)CNC(=O)[C@@H]1CSCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635460317 652731321 /nfs/dbraw/zinc/73/13/21/652731321.db2.gz JTJOOPPCUAKGHK-RYUDHWBXSA-N 1 2 378.420 2.050 20 0 GEADLO CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635469986 652733508 /nfs/dbraw/zinc/73/35/08/652733508.db2.gz SKZFJWWJKGXCPM-GHMZBOCLSA-N 1 2 378.420 2.193 20 0 GEADLO CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000635602258 652742919 /nfs/dbraw/zinc/74/29/19/652742919.db2.gz GIWUGCTYDVHYPS-XQQFMLRXSA-N 1 2 381.420 2.191 20 0 GEADLO O=C(CCSc1ccc(Br)cc1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670408635 652746533 /nfs/dbraw/zinc/74/65/33/652746533.db2.gz SZHNWRAXBNYVIW-OAHLLOKOSA-N 1 2 398.370 2.437 20 0 GEADLO O=C(CCSc1ccc(Br)cc1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670408635 652746535 /nfs/dbraw/zinc/74/65/35/652746535.db2.gz SZHNWRAXBNYVIW-OAHLLOKOSA-N 1 2 398.370 2.437 20 0 GEADLO Cn1cc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc(Br)c1=O ZINC000635667452 652747160 /nfs/dbraw/zinc/74/71/60/652747160.db2.gz BXASJYFEAYLWRK-JTQLQIEISA-N 1 2 393.163 2.477 20 0 GEADLO CS(=O)(=O)CC[C@H]1CCCCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635955385 652768125 /nfs/dbraw/zinc/76/81/25/652768125.db2.gz VYFQTLIFRXVHGT-CHWSQXEVSA-N 1 2 381.420 2.192 20 0 GEADLO CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000671151888 652781753 /nfs/dbraw/zinc/78/17/53/652781753.db2.gz XQHKHDRQXDQHIT-UHFFFAOYSA-N 1 2 382.507 2.343 20 0 GEADLO O=C(c1cncc(Br)c1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636297785 652794792 /nfs/dbraw/zinc/79/47/92/652794792.db2.gz RPUSCKAAPPDWNG-UHFFFAOYSA-N 1 2 375.270 2.240 20 0 GEADLO Cn1cc(Br)cc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636297705 652794820 /nfs/dbraw/zinc/79/48/20/652794820.db2.gz OOUQKYUTSMUMFG-UHFFFAOYSA-N 1 2 377.286 2.183 20 0 GEADLO NS(=O)(=O)c1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cs1 ZINC000636401527 652802266 /nfs/dbraw/zinc/80/22/66/652802266.db2.gz ZXWAMEBQDXJAHI-HNNXBMFYSA-N 1 2 379.507 2.389 20 0 GEADLO NS(=O)(=O)c1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cs1 ZINC000636401527 652802267 /nfs/dbraw/zinc/80/22/67/652802267.db2.gz ZXWAMEBQDXJAHI-HNNXBMFYSA-N 1 2 379.507 2.389 20 0 GEADLO COC(=O)[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccccc1Br ZINC000598184715 652803033 /nfs/dbraw/zinc/80/30/33/652803033.db2.gz NCSKVSFDSPYLGT-HNNXBMFYSA-N 1 2 380.242 2.456 20 0 GEADLO Cc1ccc(CNC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1Br ZINC000636593629 652810159 /nfs/dbraw/zinc/81/01/59/652810159.db2.gz SDHOVGHWHUWVDG-UHFFFAOYSA-N 1 2 393.285 2.167 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672146778 652827633 /nfs/dbraw/zinc/82/76/33/652827633.db2.gz UANMAXIGFDEETH-CYBMUJFWSA-N 1 2 392.253 2.358 20 0 GEADLO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672148519 652827660 /nfs/dbraw/zinc/82/76/60/652827660.db2.gz QBWILOCPIMTUSB-GHMZBOCLSA-N 1 2 381.263 2.439 20 0 GEADLO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672148521 652827679 /nfs/dbraw/zinc/82/76/79/652827679.db2.gz QBWILOCPIMTUSB-QWRGUYRKSA-N 1 2 381.263 2.439 20 0 GEADLO COc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc(Br)c1OC ZINC000672146738 652827824 /nfs/dbraw/zinc/82/78/24/652827824.db2.gz SYCXKUUGUSKIKB-NSHDSACASA-N 1 2 380.242 2.408 20 0 GEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000672149127 652828301 /nfs/dbraw/zinc/82/83/01/652828301.db2.gz GPWXJTJPHYWNDO-AWEZNQCLSA-N 1 2 388.265 2.378 20 0 GEADLO CC1(C)CN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)CC[N@@H+]1CCO ZINC000672261002 652832726 /nfs/dbraw/zinc/83/27/26/652832726.db2.gz MIQYQZWXDBHYMC-UHFFFAOYSA-N 1 2 380.432 2.002 20 0 GEADLO CC1(C)CN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)CC[N@H+]1CCO ZINC000672261002 652832728 /nfs/dbraw/zinc/83/27/28/652832728.db2.gz MIQYQZWXDBHYMC-UHFFFAOYSA-N 1 2 380.432 2.002 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3Cc4c[nH+]cn4C3)nc12 ZINC000637045112 652834960 /nfs/dbraw/zinc/83/49/60/652834960.db2.gz CYYIRXNBXFEIHZ-GFCCVEGCSA-N 1 2 389.257 2.026 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000637095922 652838356 /nfs/dbraw/zinc/83/83/56/652838356.db2.gz FIJRYYWXQKWSPS-UONOGXRCSA-N 1 2 390.285 2.148 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1CCOc2c(Br)cccc21 ZINC000637123041 652840072 /nfs/dbraw/zinc/84/00/72/652840072.db2.gz UYWBELMFQSTXOG-YGRLFVJLSA-N 1 2 377.242 2.393 20 0 GEADLO Cc1cc(I)cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1C ZINC000598943326 652841288 /nfs/dbraw/zinc/84/12/88/652841288.db2.gz GWLHRRFHYHQDHL-LBPRGKRZSA-N 1 2 381.217 2.459 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(Br)cc1F)C2 ZINC000673462530 652864391 /nfs/dbraw/zinc/86/43/91/652864391.db2.gz NUZINMIOJVYWHC-LBPRGKRZSA-N 1 2 396.260 2.373 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(Br)cc1F)C2 ZINC000673462529 652864416 /nfs/dbraw/zinc/86/44/16/652864416.db2.gz NUZINMIOJVYWHC-GFCCVEGCSA-N 1 2 396.260 2.373 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CC)C[NH+]2CCCC2)cc1 ZINC000673568667 652870180 /nfs/dbraw/zinc/87/01/80/652870180.db2.gz OXKIQEPDFKLELB-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)cc1Cl ZINC000637971177 652879703 /nfs/dbraw/zinc/87/97/03/652879703.db2.gz KNELIEPEBZIQHF-UHFFFAOYSA-N 1 2 386.930 2.156 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CCCN(c3nccs3)CC2)cc1Cl ZINC000637971177 652879708 /nfs/dbraw/zinc/87/97/08/652879708.db2.gz KNELIEPEBZIQHF-UHFFFAOYSA-N 1 2 386.930 2.156 20 0 GEADLO Brc1cnn(C2CC[NH+](Cc3cn(C[C@@H]4CCOC4)nn3)CC2)c1 ZINC000638072311 652883699 /nfs/dbraw/zinc/88/36/99/652883699.db2.gz NBTRLUKMKSPZEG-ZDUSSCGKSA-N 1 2 395.305 2.111 20 0 GEADLO Brc1cnc2c(C[NH2+]Cc3nnc4n3CCCCC4)cnn2c1 ZINC000638281204 652885212 /nfs/dbraw/zinc/88/52/12/652885212.db2.gz AICXOANEICRJJM-UHFFFAOYSA-N 1 2 376.262 2.100 20 0 GEADLO COC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)o1)c1cccc(C(F)(F)F)c1 ZINC000638601829 652898668 /nfs/dbraw/zinc/89/86/68/652898668.db2.gz IAUFRMASBCUHGL-CYBMUJFWSA-N 1 2 378.372 2.423 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000766851443 652900704 /nfs/dbraw/zinc/90/07/04/652900704.db2.gz ROWCSRZSMUZRGM-KBPBESRZSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000766851443 652900709 /nfs/dbraw/zinc/90/07/09/652900709.db2.gz ROWCSRZSMUZRGM-KBPBESRZSA-N 1 2 382.917 2.357 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000600192277 652907552 /nfs/dbraw/zinc/90/75/52/652907552.db2.gz VECSOWTUEZDPOQ-AWEZNQCLSA-N 1 2 393.196 2.194 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC000600192277 652907555 /nfs/dbraw/zinc/90/75/55/652907555.db2.gz VECSOWTUEZDPOQ-AWEZNQCLSA-N 1 2 393.196 2.194 20 0 GEADLO COC(=O)[C@]1(OC)CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)C1 ZINC000600191821 652907610 /nfs/dbraw/zinc/90/76/10/652907610.db2.gz MMKLEELSGMQRIG-INIZCTEOSA-N 1 2 382.258 2.169 20 0 GEADLO CC[C@@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCO1 ZINC000639135101 652922133 /nfs/dbraw/zinc/92/21/33/652922133.db2.gz FYWHSYZRJLUJGO-GFCCVEGCSA-N 1 2 377.304 2.097 20 0 GEADLO CC[C@@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCO1 ZINC000639135101 652922134 /nfs/dbraw/zinc/92/21/34/652922134.db2.gz FYWHSYZRJLUJGO-GFCCVEGCSA-N 1 2 377.304 2.097 20 0 GEADLO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639283588 652930697 /nfs/dbraw/zinc/93/06/97/652930697.db2.gz WTUMGZRJTSYWRG-GFCCVEGCSA-N 1 2 377.304 2.096 20 0 GEADLO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639283588 652930701 /nfs/dbraw/zinc/93/07/01/652930701.db2.gz WTUMGZRJTSYWRG-GFCCVEGCSA-N 1 2 377.304 2.096 20 0 GEADLO CN(C)c1cc(COC(=O)CNC(=O)c2ccc(Br)s2)cc[nH+]1 ZINC000767500431 652930719 /nfs/dbraw/zinc/93/07/19/652930719.db2.gz CVJIQDUNTQBUAF-UHFFFAOYSA-N 1 2 398.282 2.445 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1cc(OC)no1 ZINC000639326360 652932475 /nfs/dbraw/zinc/93/24/75/652932475.db2.gz RFVVCBDQKFACIZ-JTQLQIEISA-N 1 2 398.257 2.249 20 0 GEADLO CC[C@@H]([NH2+]Cc1c(Br)cnn1C)c1cccc(S(N)(=O)=O)c1 ZINC000639564697 652941690 /nfs/dbraw/zinc/94/16/90/652941690.db2.gz OWULFOBZGCQTCS-CYBMUJFWSA-N 1 2 387.303 2.071 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639818786 652957136 /nfs/dbraw/zinc/95/71/36/652957136.db2.gz SVAOJCGSGHBROO-HUUCEWRRSA-N 1 2 378.274 2.294 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639818786 652957138 /nfs/dbraw/zinc/95/71/38/652957138.db2.gz SVAOJCGSGHBROO-HUUCEWRRSA-N 1 2 378.274 2.294 20 0 GEADLO Cc1nnc(N2CC[NH+](CCOc3ccccc3Br)CC2)n1C ZINC000639977813 653092214 /nfs/dbraw/zinc/09/22/14/653092214.db2.gz UDXIYHNHPKUQRI-UHFFFAOYSA-N 1 2 380.290 2.087 20 0 GEADLO O=C(C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)Nc1ccc(Br)cc1 ZINC000640053928 653094777 /nfs/dbraw/zinc/09/47/77/653094777.db2.gz KPYOPDLAWLQHEM-JOYOIKCWSA-N 1 2 381.192 2.490 20 0 GEADLO O=C(C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)Nc1ccc(Br)cc1 ZINC000640053928 653094779 /nfs/dbraw/zinc/09/47/79/653094779.db2.gz KPYOPDLAWLQHEM-JOYOIKCWSA-N 1 2 381.192 2.490 20 0 GEADLO O=c1[nH]nc(C2CC[NH+](Cc3cn4cc(Br)ccc4n3)CC2)[nH]1 ZINC000676640582 653102516 /nfs/dbraw/zinc/10/25/16/653102516.db2.gz JHECGGLMDPSDNR-UHFFFAOYSA-N 1 2 377.246 2.300 20 0 GEADLO O=C(NCCn1cc[nH+]c1)Nc1cc(N2CCOCC2)ccc1Br ZINC000640232978 653104942 /nfs/dbraw/zinc/10/49/42/653104942.db2.gz DGXYGGHXOSJYEI-UHFFFAOYSA-N 1 2 394.273 2.304 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000768324432 653110047 /nfs/dbraw/zinc/11/00/47/653110047.db2.gz QFZUYBNNXZASAH-UHFFFAOYSA-N 1 2 389.257 2.389 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C(=O)OC)c2ccc(Cl)cc2Cl)C1 ZINC000805469402 653117858 /nfs/dbraw/zinc/11/78/58/653117858.db2.gz MCAQXSHLSHJMER-KGLIPLIRSA-N 1 2 376.236 2.471 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C(=O)OC)c2ccc(Cl)cc2Cl)C1 ZINC000805469402 653117864 /nfs/dbraw/zinc/11/78/64/653117864.db2.gz MCAQXSHLSHJMER-KGLIPLIRSA-N 1 2 376.236 2.471 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000805469814 653118388 /nfs/dbraw/zinc/11/83/88/653118388.db2.gz JDNGEWZMAJKATM-SWLSCSKDSA-N 1 2 399.285 2.348 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000805469814 653118397 /nfs/dbraw/zinc/11/83/97/653118397.db2.gz JDNGEWZMAJKATM-SWLSCSKDSA-N 1 2 399.285 2.348 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000805472964 653118593 /nfs/dbraw/zinc/11/85/93/653118593.db2.gz BSYNDKHOEQNPOK-SMDDNHRTSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000805472964 653118595 /nfs/dbraw/zinc/11/85/95/653118595.db2.gz BSYNDKHOEQNPOK-SMDDNHRTSA-N 1 2 385.258 2.040 20 0 GEADLO CSc1cc(Br)ccc1CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000678124843 653127711 /nfs/dbraw/zinc/12/77/11/653127711.db2.gz ASVARXBMBZYOLC-UHFFFAOYSA-N 1 2 386.359 2.377 20 0 GEADLO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)OCCn2cc[nH+]c2)c1 ZINC000771994561 653136878 /nfs/dbraw/zinc/13/68/78/653136878.db2.gz JRYYGIADCOBUQU-UHFFFAOYSA-N 1 2 385.873 2.470 20 0 GEADLO CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772037765 653137820 /nfs/dbraw/zinc/13/78/20/653137820.db2.gz NWMWOWISFDXKPI-LBPRGKRZSA-N 1 2 388.892 2.418 20 0 GEADLO CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772037765 653137824 /nfs/dbraw/zinc/13/78/24/653137824.db2.gz NWMWOWISFDXKPI-LBPRGKRZSA-N 1 2 388.892 2.418 20 0 GEADLO C[C@@H](c1ccc(Cl)c(Cl)c1)n1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000640989754 653148851 /nfs/dbraw/zinc/14/88/51/653148851.db2.gz GVBHOJWUKODBEV-JQWIXIFHSA-N 1 2 389.308 2.471 20 0 GEADLO C[C@@H](c1ccc(Cl)c(Cl)c1)n1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC000640989753 653148928 /nfs/dbraw/zinc/14/89/28/653148928.db2.gz GVBHOJWUKODBEV-CMPLNLGQSA-N 1 2 389.308 2.471 20 0 GEADLO Cn1cc(N2CC[NH+](Cc3ccccc3I)CC2)cn1 ZINC000769422574 653155444 /nfs/dbraw/zinc/15/54/44/653155444.db2.gz KILIMPJOUBZNAH-UHFFFAOYSA-N 1 2 382.249 2.347 20 0 GEADLO COc1nc(Br)ccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000806450929 653163696 /nfs/dbraw/zinc/16/36/96/653163696.db2.gz BULUYTURNANMRB-VXGBXAGGSA-N 1 2 399.289 2.180 20 0 GEADLO C[C@@H]1COCCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000772824295 653167722 /nfs/dbraw/zinc/16/77/22/653167722.db2.gz LWGDYHFBDGWICM-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1COCCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000772824295 653167728 /nfs/dbraw/zinc/16/77/28/653167728.db2.gz LWGDYHFBDGWICM-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1COCCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000772825676 653167888 /nfs/dbraw/zinc/16/78/88/653167888.db2.gz WUBKVZHXMHIBIM-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1COCCC[N@H+]1CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000772825676 653167891 /nfs/dbraw/zinc/16/78/91/653167891.db2.gz WUBKVZHXMHIBIM-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCc3ccc(Br)cc3C2)CCO1 ZINC000806665328 653172525 /nfs/dbraw/zinc/17/25/25/653172525.db2.gz MRCRSVOIEHRMBL-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCc3ccc(Br)cc3C2)CCO1 ZINC000806665328 653172526 /nfs/dbraw/zinc/17/25/26/653172526.db2.gz MRCRSVOIEHRMBL-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000773108363 653181385 /nfs/dbraw/zinc/18/13/85/653181385.db2.gz WYXVHRGSANSMJR-NSHDSACASA-N 1 2 381.466 2.158 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc(I)s2)C1 ZINC000602449163 653182264 /nfs/dbraw/zinc/18/22/64/653182264.db2.gz OGWQSNNUJUDVGB-SNVBAGLBSA-N 1 2 391.278 2.342 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ccc(I)s2)C1 ZINC000602449163 653182268 /nfs/dbraw/zinc/18/22/68/653182268.db2.gz OGWQSNNUJUDVGB-SNVBAGLBSA-N 1 2 391.278 2.342 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1cc(Br)ccc1F ZINC000807280364 653188398 /nfs/dbraw/zinc/18/83/98/653188398.db2.gz JFLOGGXZNPJMOO-AWEZNQCLSA-N 1 2 398.232 2.075 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000807281389 653189023 /nfs/dbraw/zinc/18/90/23/653189023.db2.gz SMZLDFITPNVDRM-WFASDCNBSA-N 1 2 394.269 2.497 20 0 GEADLO C[C@H](CNS(=O)(=O)CCn1cc[nH+]c1)Oc1ccc(Br)cc1 ZINC000641362292 653192568 /nfs/dbraw/zinc/19/25/68/653192568.db2.gz OYOGWEHQWPWIFB-GFCCVEGCSA-N 1 2 388.287 2.033 20 0 GEADLO COC(=O)c1cc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)on1 ZINC000602638779 653197264 /nfs/dbraw/zinc/19/72/64/653197264.db2.gz WUSMZAZNWABRLV-CYBMUJFWSA-N 1 2 394.225 2.119 20 0 GEADLO C[C@@H](Cc1cc(Br)ccc1F)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641395860 653198708 /nfs/dbraw/zinc/19/87/08/653198708.db2.gz SZVDFVSCWYIUHR-NSHDSACASA-N 1 2 390.278 2.335 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000681985882 653200650 /nfs/dbraw/zinc/20/06/50/653200650.db2.gz RQSXYSAFIVFBNU-UHFFFAOYSA-N 1 2 393.285 2.233 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000681985882 653200653 /nfs/dbraw/zinc/20/06/53/653200653.db2.gz RQSXYSAFIVFBNU-UHFFFAOYSA-N 1 2 393.285 2.233 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)C[C@@H]1C ZINC000682485662 653212960 /nfs/dbraw/zinc/21/29/60/653212960.db2.gz SYBMVNKSXDFDGC-KBPBESRZSA-N 1 2 390.933 2.468 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)C[C@@H]1C ZINC000682485662 653212965 /nfs/dbraw/zinc/21/29/65/653212965.db2.gz SYBMVNKSXDFDGC-KBPBESRZSA-N 1 2 390.933 2.468 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCc1c[nH+]cn1C ZINC000682487494 653213361 /nfs/dbraw/zinc/21/33/61/653213361.db2.gz CYRSYUJENXDRGG-LBPRGKRZSA-N 1 2 387.889 2.008 20 0 GEADLO O=C(N[C@H](CCO)c1ccccc1Br)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682528453 653217240 /nfs/dbraw/zinc/21/72/40/653217240.db2.gz BMRRYRMQCFWHDR-IUODEOHRSA-N 1 2 378.270 2.448 20 0 GEADLO C[C@@](CO)(NS(=O)(=O)CCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1 ZINC000641525912 653218150 /nfs/dbraw/zinc/21/81/50/653218150.db2.gz DVCSEGVCSZERHY-AWEZNQCLSA-N 1 2 378.281 2.017 20 0 GEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000770722515 653222777 /nfs/dbraw/zinc/22/27/77/653222777.db2.gz GIQFGWBPFUMMIA-DTWKUNHWSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000770722515 653222778 /nfs/dbraw/zinc/22/27/78/653222778.db2.gz GIQFGWBPFUMMIA-DTWKUNHWSA-N 1 2 382.711 2.211 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000683254831 653232513 /nfs/dbraw/zinc/23/25/13/653232513.db2.gz DJUXUJDLGXGTAY-LSDHHAIUSA-N 1 2 392.297 2.175 20 0 GEADLO Cc1ncc2c(n1)CC[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000642528055 653249054 /nfs/dbraw/zinc/24/90/54/653249054.db2.gz PLMYJOQDILXVAN-OAHLLOKOSA-N 1 2 378.270 2.346 20 0 GEADLO Cc1ncc2c(n1)CC[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000642528055 653249057 /nfs/dbraw/zinc/24/90/57/653249057.db2.gz PLMYJOQDILXVAN-OAHLLOKOSA-N 1 2 378.270 2.346 20 0 GEADLO C[C@@H](CO)[N@H+](C)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000809742758 653292364 /nfs/dbraw/zinc/29/23/64/653292364.db2.gz IWZOYJGDRNTBTP-NSHDSACASA-N 1 2 396.372 2.398 20 0 GEADLO C[C@@H](CO)[N@@H+](C)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000809742758 653292376 /nfs/dbraw/zinc/29/23/76/653292376.db2.gz IWZOYJGDRNTBTP-NSHDSACASA-N 1 2 396.372 2.398 20 0 GEADLO C[C@H](CO)[N@H+](C)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000809745409 653292439 /nfs/dbraw/zinc/29/24/39/653292439.db2.gz IWZOYJGDRNTBTP-LLVKDONJSA-N 1 2 396.372 2.398 20 0 GEADLO C[C@H](CO)[N@@H+](C)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000809745409 653292449 /nfs/dbraw/zinc/29/24/49/653292449.db2.gz IWZOYJGDRNTBTP-LLVKDONJSA-N 1 2 396.372 2.398 20 0 GEADLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000685610399 653308778 /nfs/dbraw/zinc/30/87/78/653308778.db2.gz DEWYGBBCPNDLGT-UHFFFAOYSA-N 1 2 379.507 2.126 20 0 GEADLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000685610399 653308786 /nfs/dbraw/zinc/30/87/86/653308786.db2.gz DEWYGBBCPNDLGT-UHFFFAOYSA-N 1 2 379.507 2.126 20 0 GEADLO CO[C@H](CNc1nc(C)[nH+]c(NC[C@@H](OC)C(F)(F)F)n1)C(F)(F)F ZINC000775478405 653314634 /nfs/dbraw/zinc/31/46/34/653314634.db2.gz PHGKBBSHIFRNDS-HTQZYQBOSA-N 1 2 377.289 2.158 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cc3ccccc3c(Cl)n2)CC1 ZINC000810090117 653323209 /nfs/dbraw/zinc/32/32/09/653323209.db2.gz GRWLHZWUZQPMOP-UHFFFAOYSA-N 1 2 382.917 2.202 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cc3ccccc3c(Cl)n2)CC1 ZINC000810090117 653323215 /nfs/dbraw/zinc/32/32/15/653323215.db2.gz GRWLHZWUZQPMOP-UHFFFAOYSA-N 1 2 382.917 2.202 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(Br)cnc1Cl ZINC000874703237 653333020 /nfs/dbraw/zinc/33/30/20/653333020.db2.gz PBPJASLMEIVILE-NSHDSACASA-N 1 2 376.682 2.338 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(Br)cnc1Cl ZINC000874703237 653333026 /nfs/dbraw/zinc/33/30/26/653333026.db2.gz PBPJASLMEIVILE-NSHDSACASA-N 1 2 376.682 2.338 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn(C(C)(C)C)nc1Br ZINC000874708121 653333572 /nfs/dbraw/zinc/33/35/72/653333572.db2.gz SCENTQCKCHKOLV-GFCCVEGCSA-N 1 2 387.322 2.241 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cn(C(C)(C)C)nc1Br ZINC000874708121 653333575 /nfs/dbraw/zinc/33/35/75/653333575.db2.gz SCENTQCKCHKOLV-GFCCVEGCSA-N 1 2 387.322 2.241 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000874711084 653334266 /nfs/dbraw/zinc/33/42/66/653334266.db2.gz VEIBKMGPAGVNFV-LBPRGKRZSA-N 1 2 392.244 2.366 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000874711084 653334270 /nfs/dbraw/zinc/33/42/70/653334270.db2.gz VEIBKMGPAGVNFV-LBPRGKRZSA-N 1 2 392.244 2.366 20 0 GEADLO Cc1ccc2sc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2c1 ZINC000810375803 653337097 /nfs/dbraw/zinc/33/70/97/653337097.db2.gz FGZOCKPHARTIDA-UHFFFAOYSA-N 1 2 380.535 2.449 20 0 GEADLO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000874825639 653338325 /nfs/dbraw/zinc/33/83/25/653338325.db2.gz QOHVCUDHODRPEW-ZIAGYGMSSA-N 1 2 376.400 2.289 20 0 GEADLO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000874825639 653338328 /nfs/dbraw/zinc/33/83/28/653338328.db2.gz QOHVCUDHODRPEW-ZIAGYGMSSA-N 1 2 376.400 2.289 20 0 GEADLO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874892300 653341221 /nfs/dbraw/zinc/34/12/21/653341221.db2.gz DOFSWMAOEBWZGF-AWEZNQCLSA-N 1 2 380.217 2.476 20 0 GEADLO O=C(/C=C\c1ccc(I)o1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857965787 653344437 /nfs/dbraw/zinc/34/44/37/653344437.db2.gz QMGZCBYEOTXSBI-WUWIAWFRSA-N 1 2 383.189 2.225 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000857985945 653346010 /nfs/dbraw/zinc/34/60/10/653346010.db2.gz MJAFILANWSWMNZ-DGCLKSJQSA-N 1 2 389.253 2.260 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000857984944 653346260 /nfs/dbraw/zinc/34/62/60/653346260.db2.gz FXHYKIUXWMGQKG-UKRRQHHQSA-N 1 2 376.869 2.313 20 0 GEADLO O=C(COc1cccc(I)c1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980123 653346333 /nfs/dbraw/zinc/34/63/33/653346333.db2.gz URJKAVNJTMTPGL-GFCCVEGCSA-N 1 2 383.189 2.128 20 0 GEADLO O=C(CCNC(=O)Nc1ccc(Br)cc1)N[C@H]1CCn2c[nH+]cc21 ZINC000857988116 653346687 /nfs/dbraw/zinc/34/66/87/653346687.db2.gz BLPNQQOZHMWLDI-ZDUSSCGKSA-N 1 2 392.257 2.418 20 0 GEADLO CS(=O)(=O)c1ccc(/C=C/C(=O)N2CC[NH+](Cc3ccsc3)CC2)o1 ZINC000858191152 653354009 /nfs/dbraw/zinc/35/40/09/653354009.db2.gz VNHGUSAYHNVMMQ-DUXPYHPUSA-N 1 2 380.491 2.102 20 0 GEADLO CON(C)C(=O)[C@H](C)[NH2+]Cc1cc(Cl)ccc1I ZINC000858319348 653359734 /nfs/dbraw/zinc/35/97/34/653359734.db2.gz HGYWDYWEWNLUDP-QMMMGPOBSA-N 1 2 382.629 2.443 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC000875658754 653382405 /nfs/dbraw/zinc/38/24/05/653382405.db2.gz FGNOLECSQAPXBN-KRWDZBQOSA-N 1 2 395.301 2.018 20 0 GEADLO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(C)c1Br ZINC000777566095 653401627 /nfs/dbraw/zinc/40/16/27/653401627.db2.gz HXYGSZHEAUWATP-SNVBAGLBSA-N 1 2 383.212 2.220 20 0 GEADLO Cc1nn(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(C)c1Br ZINC000777566095 653401630 /nfs/dbraw/zinc/40/16/30/653401630.db2.gz HXYGSZHEAUWATP-SNVBAGLBSA-N 1 2 383.212 2.220 20 0 GEADLO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000777567455 653401701 /nfs/dbraw/zinc/40/17/01/653401701.db2.gz QLPXVYRBYUWAEN-JTQLQIEISA-N 1 2 395.223 2.481 20 0 GEADLO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000777567455 653401705 /nfs/dbraw/zinc/40/17/05/653401705.db2.gz QLPXVYRBYUWAEN-JTQLQIEISA-N 1 2 395.223 2.481 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000837156575 653405553 /nfs/dbraw/zinc/40/55/53/653405553.db2.gz SFTZZYVBISTFMY-DOMZBBRYSA-N 1 2 378.270 2.400 20 0 GEADLO CC(C)CN1C(=O)C(=O)N(C[N@H+](C)CCc2cccc(Br)c2)C1=O ZINC000812301878 653421683 /nfs/dbraw/zinc/42/16/83/653421683.db2.gz NLJTZKKXOOTDTP-UHFFFAOYSA-N 1 2 396.285 2.328 20 0 GEADLO CC(C)CN1C(=O)C(=O)N(C[N@@H+](C)CCc2cccc(Br)c2)C1=O ZINC000812301878 653421686 /nfs/dbraw/zinc/42/16/86/653421686.db2.gz NLJTZKKXOOTDTP-UHFFFAOYSA-N 1 2 396.285 2.328 20 0 GEADLO O=C(/C=C\c1ccc(Br)o1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000778333078 653438300 /nfs/dbraw/zinc/43/83/00/653438300.db2.gz XCOASZJJHJNKIF-NSRYLSIASA-N 1 2 399.285 2.005 20 0 GEADLO O=C(/C=C/c1ccc(Br)o1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000778333080 653438489 /nfs/dbraw/zinc/43/84/89/653438489.db2.gz XCOASZJJHJNKIF-TXTHVTMNSA-N 1 2 399.285 2.005 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000812700171 653440611 /nfs/dbraw/zinc/44/06/11/653440611.db2.gz VUMSHOXOFMAMAA-GASCZTMLSA-N 1 2 398.253 2.256 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000812700171 653440616 /nfs/dbraw/zinc/44/06/16/653440616.db2.gz VUMSHOXOFMAMAA-GASCZTMLSA-N 1 2 398.253 2.256 20 0 GEADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000876740724 653445449 /nfs/dbraw/zinc/44/54/49/653445449.db2.gz UMHHNCJLKQTDSL-RDBSUJKOSA-N 1 2 378.535 2.112 20 0 GEADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000876740724 653445452 /nfs/dbraw/zinc/44/54/52/653445452.db2.gz UMHHNCJLKQTDSL-RDBSUJKOSA-N 1 2 378.535 2.112 20 0 GEADLO COC(=O)[C@]1([NH2+]CCC(OC)OC)CCc2cc(Br)ccc2C1 ZINC000859621329 653478514 /nfs/dbraw/zinc/47/85/14/653478514.db2.gz SJKXIVFFNJFUQV-KRWDZBQOSA-N 1 2 386.286 2.448 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(Br)ccc1Cl ZINC000779562063 653492690 /nfs/dbraw/zinc/49/26/90/653492690.db2.gz CIXILIQVXBXLIC-GFCCVEGCSA-N 1 2 386.633 2.271 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000779567499 653496268 /nfs/dbraw/zinc/49/62/68/653496268.db2.gz UZQCWJOENLPLQB-CMPLNLGQSA-N 1 2 386.235 2.315 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CSc1cccc(Br)c1 ZINC000779564557 653499280 /nfs/dbraw/zinc/49/92/80/653499280.db2.gz MLNXCYNPDJSHPD-CYBMUJFWSA-N 1 2 398.282 2.096 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1sc(-c2cccs2)nc1C ZINC000779567418 653499759 /nfs/dbraw/zinc/49/97/59/653499759.db2.gz PMQAZQDLOKONOJ-LLVKDONJSA-N 1 2 376.463 2.348 20 0 GEADLO COc1c(C)c[nH+]c(CNCc2nn(C)cc2I)c1C ZINC000877571815 653612849 /nfs/dbraw/zinc/61/28/49/653612849.db2.gz ADSACHUDLLXBPY-UHFFFAOYSA-N 1 2 386.237 2.335 20 0 GEADLO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc(OC)c(Br)c3)C2)C1 ZINC000877713394 653617423 /nfs/dbraw/zinc/61/74/23/653617423.db2.gz CLLUHUVVEUVGRZ-MRXNPFEDSA-N 1 2 383.242 2.352 20 0 GEADLO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccc(OC)c(Br)c3)C2)C1 ZINC000877713394 653617426 /nfs/dbraw/zinc/61/74/26/653617426.db2.gz CLLUHUVVEUVGRZ-MRXNPFEDSA-N 1 2 383.242 2.352 20 0 GEADLO CONC(=O)C1CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000877786385 653620046 /nfs/dbraw/zinc/62/00/46/653620046.db2.gz FMUNSJDDWYLQQD-UHFFFAOYSA-N 1 2 384.267 2.464 20 0 GEADLO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3N3CCOCC3)C[C@@H]2C1 ZINC000877790656 653620497 /nfs/dbraw/zinc/62/04/97/653620497.db2.gz NZRLYYIFXHXDCQ-LSDHHAIUSA-N 1 2 384.929 2.043 20 0 GEADLO O=S1(=O)C[C@@H]2CC[N@H+](Cc3c(Cl)cccc3N3CCOCC3)C[C@@H]2C1 ZINC000877790656 653620498 /nfs/dbraw/zinc/62/04/98/653620498.db2.gz NZRLYYIFXHXDCQ-LSDHHAIUSA-N 1 2 384.929 2.043 20 0 GEADLO C[N@H+](CCS(N)(=O)=O)Cc1ccc(Br)cc1C(F)(F)F ZINC000877825936 653621789 /nfs/dbraw/zinc/62/17/89/653621789.db2.gz JMMLXYODTQWPIA-UHFFFAOYSA-N 1 2 375.210 2.188 20 0 GEADLO C[N@@H+](CCS(N)(=O)=O)Cc1ccc(Br)cc1C(F)(F)F ZINC000877825936 653621791 /nfs/dbraw/zinc/62/17/91/653621791.db2.gz JMMLXYODTQWPIA-UHFFFAOYSA-N 1 2 375.210 2.188 20 0 GEADLO C[N@H+](C[C@@H](O)c1cc(Br)no1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000878100115 653628891 /nfs/dbraw/zinc/62/88/91/653628891.db2.gz KUUGEEMQYYUKFL-CHWSQXEVSA-N 1 2 398.232 2.347 20 0 GEADLO C[N@@H+](C[C@@H](O)c1cc(Br)no1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000878100115 653628894 /nfs/dbraw/zinc/62/88/94/653628894.db2.gz KUUGEEMQYYUKFL-CHWSQXEVSA-N 1 2 398.232 2.347 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860531993 653629597 /nfs/dbraw/zinc/62/95/97/653629597.db2.gz CTMFYVRINXWSQH-QWRGUYRKSA-N 1 2 379.258 2.074 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860531993 653629598 /nfs/dbraw/zinc/62/95/98/653629598.db2.gz CTMFYVRINXWSQH-QWRGUYRKSA-N 1 2 379.258 2.074 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878169108 653630405 /nfs/dbraw/zinc/63/04/05/653630405.db2.gz KBJVMPQLTKXKHB-WDEREUQCSA-N 1 2 390.278 2.412 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878169108 653630408 /nfs/dbraw/zinc/63/04/08/653630408.db2.gz KBJVMPQLTKXKHB-WDEREUQCSA-N 1 2 390.278 2.412 20 0 GEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860564796 653630850 /nfs/dbraw/zinc/63/08/50/653630850.db2.gz VXGHQWCIBWPDPW-GHMZBOCLSA-N 1 2 379.258 2.074 20 0 GEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860564796 653630852 /nfs/dbraw/zinc/63/08/52/653630852.db2.gz VXGHQWCIBWPDPW-GHMZBOCLSA-N 1 2 379.258 2.074 20 0 GEADLO Cc1c[nH+]cn1CC(=O)OCc1nc(Cc2ccccc2Br)n[nH]1 ZINC000860643937 653633084 /nfs/dbraw/zinc/63/30/84/653633084.db2.gz CXEBPQFBFICXCU-UHFFFAOYSA-N 1 2 390.241 2.406 20 0 GEADLO Cc1c[nH+]cn1CC(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000860643937 653633087 /nfs/dbraw/zinc/63/30/87/653633087.db2.gz CXEBPQFBFICXCU-UHFFFAOYSA-N 1 2 390.241 2.406 20 0 GEADLO Cc1c[nH+]cn1CC(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000860643937 653633089 /nfs/dbraw/zinc/63/30/89/653633089.db2.gz CXEBPQFBFICXCU-UHFFFAOYSA-N 1 2 390.241 2.406 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ncccc3Br)C2)nn1 ZINC000878434109 653637184 /nfs/dbraw/zinc/63/71/84/653637184.db2.gz QPLYJJQAZQRLGX-LLVKDONJSA-N 1 2 380.246 2.059 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3ncccc3Br)C2)nn1 ZINC000878434109 653637186 /nfs/dbraw/zinc/63/71/86/653637186.db2.gz QPLYJJQAZQRLGX-LLVKDONJSA-N 1 2 380.246 2.059 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ncccc3Br)C2)nn1 ZINC000878434110 653637197 /nfs/dbraw/zinc/63/71/97/653637197.db2.gz QPLYJJQAZQRLGX-NSHDSACASA-N 1 2 380.246 2.059 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3ncccc3Br)C2)nn1 ZINC000878434110 653637198 /nfs/dbraw/zinc/63/71/98/653637198.db2.gz QPLYJJQAZQRLGX-NSHDSACASA-N 1 2 380.246 2.059 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc3cc(C)sc23)CC1 ZINC000878443005 653637638 /nfs/dbraw/zinc/63/76/38/653637638.db2.gz NAEIJLPVDZLCKV-UHFFFAOYSA-N 1 2 379.551 2.484 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc3cc(C)sc23)CC1 ZINC000878443005 653637641 /nfs/dbraw/zinc/63/76/41/653637641.db2.gz NAEIJLPVDZLCKV-UHFFFAOYSA-N 1 2 379.551 2.484 20 0 GEADLO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)CC(C)(C)O ZINC000878558564 653641151 /nfs/dbraw/zinc/64/11/51/653641151.db2.gz JYRSFCSICDCTFP-HNNXBMFYSA-N 1 2 377.312 2.453 20 0 GEADLO CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)CC(C)(C)O ZINC000878558564 653641152 /nfs/dbraw/zinc/64/11/52/653641152.db2.gz JYRSFCSICDCTFP-HNNXBMFYSA-N 1 2 377.312 2.453 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000860963872 653641863 /nfs/dbraw/zinc/64/18/63/653641863.db2.gz FMWZTPRSDHJIFU-MRXNPFEDSA-N 1 2 389.283 2.126 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000860963872 653641866 /nfs/dbraw/zinc/64/18/66/653641866.db2.gz FMWZTPRSDHJIFU-MRXNPFEDSA-N 1 2 389.283 2.126 20 0 GEADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878614414 653642619 /nfs/dbraw/zinc/64/26/19/653642619.db2.gz MMDQNKMHRZRDLD-NWDGAFQWSA-N 1 2 390.278 2.460 20 0 GEADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878614414 653642621 /nfs/dbraw/zinc/64/26/21/653642621.db2.gz MMDQNKMHRZRDLD-NWDGAFQWSA-N 1 2 390.278 2.460 20 0 GEADLO Cc1cc2scc(CC(=O)N3CC[NH+](CCn4cncn4)CC3)c2s1 ZINC000878927112 653652256 /nfs/dbraw/zinc/65/22/56/653652256.db2.gz RRHAADMVGKANAX-UHFFFAOYSA-N 1 2 375.523 2.250 20 0 GEADLO C[C@@](O)(C[N@@H+]1C[C@@H]2COC[C@H](C1)O2)c1ccc(Br)cc1Cl ZINC000815111988 653652581 /nfs/dbraw/zinc/65/25/81/653652581.db2.gz JHXPKDWUCVNRJS-TYNCELHUSA-N 1 2 376.678 2.410 20 0 GEADLO C[C@@](O)(C[N@H+]1C[C@@H]2COC[C@H](C1)O2)c1ccc(Br)cc1Cl ZINC000815111988 653652584 /nfs/dbraw/zinc/65/25/84/653652584.db2.gz JHXPKDWUCVNRJS-TYNCELHUSA-N 1 2 376.678 2.410 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000839506503 653652705 /nfs/dbraw/zinc/65/27/05/653652705.db2.gz BQMZEXIZNJJWFX-VIFPVBQESA-N 1 2 382.251 2.264 20 0 GEADLO NC(=O)[C@H](F)C1CC[NH+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000879046047 653656526 /nfs/dbraw/zinc/65/65/26/653656526.db2.gz PEDMTMWHWBLZNF-CQSZACIVSA-N 1 2 375.416 2.475 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCCCn2cc[nH+]c2)s1 ZINC000782306320 653658860 /nfs/dbraw/zinc/65/88/60/653658860.db2.gz QLMBSKDUKQHKMS-CQSZACIVSA-N 1 2 383.495 2.040 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000815544708 653661419 /nfs/dbraw/zinc/66/14/19/653661419.db2.gz DTRXWUMIJFYVHL-UHFFFAOYSA-N 1 2 397.299 2.371 20 0 GEADLO Cc1nc(N2CCN(C(=O)C(=O)c3ccc(Br)s3)CC2)cc[nH+]1 ZINC000839725708 653661467 /nfs/dbraw/zinc/66/14/67/653661467.db2.gz IVRWRPYCYITJMK-UHFFFAOYSA-N 1 2 395.282 2.141 20 0 GEADLO O=C(Nc1cccc(Br)n1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000879203275 653662694 /nfs/dbraw/zinc/66/26/94/653662694.db2.gz LSVSQOYSTCBRRY-UHFFFAOYSA-N 1 2 391.273 2.026 20 0 GEADLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861841455 653668639 /nfs/dbraw/zinc/66/86/39/653668639.db2.gz URDDNXUQUDXQTA-LBPRGKRZSA-N 1 2 379.258 2.076 20 0 GEADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861841455 653668641 /nfs/dbraw/zinc/66/86/41/653668641.db2.gz URDDNXUQUDXQTA-LBPRGKRZSA-N 1 2 379.258 2.076 20 0 GEADLO Cn1ncc(C(=O)OCc2cccc3[nH+]ccn32)c1I ZINC000815988484 653670699 /nfs/dbraw/zinc/67/06/99/653670699.db2.gz LQKUGMFLSOOGHP-UHFFFAOYSA-N 1 2 382.161 2.029 20 0 GEADLO O=C(c1cccc(Br)c1O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861984962 653672346 /nfs/dbraw/zinc/67/23/46/653672346.db2.gz OXJAIGZTDOMIKB-UHFFFAOYSA-N 1 2 383.286 2.482 20 0 GEADLO O=C(c1cccc(Br)c1O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861984962 653672349 /nfs/dbraw/zinc/67/23/49/653672349.db2.gz OXJAIGZTDOMIKB-UHFFFAOYSA-N 1 2 383.286 2.482 20 0 GEADLO CN(C)C(=O)OC1CC[NH+](Cn2c(=O)oc3cc(Br)ccc32)CC1 ZINC000840089690 653674043 /nfs/dbraw/zinc/67/40/43/653674043.db2.gz ASCMINQHWFSMBW-UHFFFAOYSA-N 1 2 398.257 2.477 20 0 GEADLO CS[C@@H]1CC[N@H+](Cn2nc(N3CCOCC3)n(CC(F)(F)F)c2=S)C1 ZINC000840113158 653674921 /nfs/dbraw/zinc/67/49/21/653674921.db2.gz KYUCDVIINBVPHI-LLVKDONJSA-N 1 2 397.492 2.208 20 0 GEADLO CS[C@@H]1CC[N@@H+](Cn2nc(N3CCOCC3)n(CC(F)(F)F)c2=S)C1 ZINC000840113158 653674924 /nfs/dbraw/zinc/67/49/24/653674924.db2.gz KYUCDVIINBVPHI-LLVKDONJSA-N 1 2 397.492 2.208 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cc(Br)nn2C)CC1 ZINC000879643976 653676371 /nfs/dbraw/zinc/67/63/71/653676371.db2.gz XLKLXAQSOWMZFS-LBPRGKRZSA-N 1 2 393.289 2.488 20 0 GEADLO CC(C)[N@H+](C[C@@H]1CCC(=O)N1)Cn1c(=O)oc2cccc(Br)c21 ZINC000840189035 653679234 /nfs/dbraw/zinc/67/92/34/653679234.db2.gz OUJRJBKBIHIOHR-NSHDSACASA-N 1 2 382.258 2.304 20 0 GEADLO CC(C)[N@@H+](C[C@@H]1CCC(=O)N1)Cn1c(=O)oc2cccc(Br)c21 ZINC000840189035 653679236 /nfs/dbraw/zinc/67/92/36/653679236.db2.gz OUJRJBKBIHIOHR-NSHDSACASA-N 1 2 382.258 2.304 20 0 GEADLO Cn1cc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c(Br)n1 ZINC000862226375 653680467 /nfs/dbraw/zinc/68/04/67/653680467.db2.gz BWEAWKOQVYQFRI-UHFFFAOYSA-N 1 2 383.212 2.073 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862245474 653681442 /nfs/dbraw/zinc/68/14/42/653681442.db2.gz PSVAYTGFHWGMDS-ZIAGYGMSSA-N 1 2 378.535 2.113 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862245474 653681444 /nfs/dbraw/zinc/68/14/44/653681444.db2.gz PSVAYTGFHWGMDS-ZIAGYGMSSA-N 1 2 378.535 2.113 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000862247937 653681810 /nfs/dbraw/zinc/68/18/10/653681810.db2.gz DRIOAXDPBDRPKW-VWLOTQADSA-N 1 2 382.423 2.263 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000840353388 653683506 /nfs/dbraw/zinc/68/35/06/653683506.db2.gz ZZMWUSMDJDSOLZ-HUUCEWRRSA-N 1 2 393.285 2.335 20 0 GEADLO CONC(=O)C1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000879925285 653687726 /nfs/dbraw/zinc/68/77/26/653687726.db2.gz SOGLBENQLDTCDF-UHFFFAOYSA-N 1 2 380.495 2.200 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000879926859 653687794 /nfs/dbraw/zinc/68/77/94/653687794.db2.gz GIJICHKXSIJQOD-SNVBAGLBSA-N 1 2 383.802 2.331 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000879926859 653687797 /nfs/dbraw/zinc/68/77/97/653687797.db2.gz GIJICHKXSIJQOD-SNVBAGLBSA-N 1 2 383.802 2.331 20 0 GEADLO C[S@](=N)(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000879945233 653689676 /nfs/dbraw/zinc/68/96/76/653689676.db2.gz KHBXLFVYMZWEBE-RUZDIDTESA-N 1 2 378.420 2.243 20 0 GEADLO C[C@]12C[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015759 653692157 /nfs/dbraw/zinc/69/21/57/653692157.db2.gz ICSSJJQNZVXUDU-NXHRZFHOSA-N 1 2 382.913 2.202 20 0 GEADLO C[C@]12C[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015759 653692162 /nfs/dbraw/zinc/69/21/62/653692162.db2.gz ICSSJJQNZVXUDU-NXHRZFHOSA-N 1 2 382.913 2.202 20 0 GEADLO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCS(=O)(=O)c1cccc(Br)c1 ZINC000880135059 653699084 /nfs/dbraw/zinc/69/90/84/653699084.db2.gz ZFYDAIXFZCCVPY-HZPDHXFCSA-N 1 2 387.343 2.391 20 0 GEADLO CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCS(=O)(=O)c1cccc(Br)c1 ZINC000880135059 653699085 /nfs/dbraw/zinc/69/90/85/653699085.db2.gz ZFYDAIXFZCCVPY-HZPDHXFCSA-N 1 2 387.343 2.391 20 0 GEADLO O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)C1CCSCC1 ZINC000840927650 653701659 /nfs/dbraw/zinc/70/16/59/653701659.db2.gz ZNQFCRHBLWQHEG-KRWDZBQOSA-N 1 2 378.563 2.433 20 0 GEADLO O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)C1CCSCC1 ZINC000840927650 653701661 /nfs/dbraw/zinc/70/16/61/653701661.db2.gz ZNQFCRHBLWQHEG-KRWDZBQOSA-N 1 2 378.563 2.433 20 0 GEADLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000880338733 653704101 /nfs/dbraw/zinc/70/41/01/653704101.db2.gz CWCKBVVWWAKKMR-MRXNPFEDSA-N 1 2 399.285 2.336 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C1CC1 ZINC000840965370 653704094 /nfs/dbraw/zinc/70/40/94/653704094.db2.gz FDXPYVUSCMFZHH-UHFFFAOYSA-N 1 2 375.281 2.241 20 0 GEADLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1Br)C1CCOCC1 ZINC000880338732 653704161 /nfs/dbraw/zinc/70/41/61/653704161.db2.gz CWCKBVVWWAKKMR-INIZCTEOSA-N 1 2 399.285 2.336 20 0 GEADLO NC(=O)C[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000880393363 653705139 /nfs/dbraw/zinc/70/51/39/653705139.db2.gz PZQSENOJNBLFIQ-HSZRJFAPSA-N 1 2 379.309 2.067 20 0 GEADLO NC(=O)C[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000880393363 653705142 /nfs/dbraw/zinc/70/51/42/653705142.db2.gz PZQSENOJNBLFIQ-HSZRJFAPSA-N 1 2 379.309 2.067 20 0 GEADLO C[C@H](NC(=O)C[N@H+](CC(N)=O)C1CCOCC1)c1ccc(Cl)cc1Cl ZINC000880394656 653705231 /nfs/dbraw/zinc/70/52/31/653705231.db2.gz MOZCCRZKJXVVNA-NSHDSACASA-N 1 2 388.295 2.137 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](CC(N)=O)C1CCOCC1)c1ccc(Cl)cc1Cl ZINC000880394656 653705234 /nfs/dbraw/zinc/70/52/34/653705234.db2.gz MOZCCRZKJXVVNA-NSHDSACASA-N 1 2 388.295 2.137 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1ccc(Br)c(O)c1 ZINC000880497404 653707030 /nfs/dbraw/zinc/70/70/30/653707030.db2.gz ZAZWNRKSXDDSOH-LSDHHAIUSA-N 1 2 383.286 2.384 20 0 GEADLO COC(=O)c1cn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)nn1 ZINC000817362269 653708838 /nfs/dbraw/zinc/70/88/38/653708838.db2.gz OFETXCGFSOEXGG-CYBMUJFWSA-N 1 2 379.258 2.492 20 0 GEADLO COC(=O)c1cn(C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)nn1 ZINC000817362269 653708839 /nfs/dbraw/zinc/70/88/39/653708839.db2.gz OFETXCGFSOEXGG-CYBMUJFWSA-N 1 2 379.258 2.492 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(Cl)c(Cl)nc2C)CC1 ZINC000841290038 653713058 /nfs/dbraw/zinc/71/30/58/653713058.db2.gz KKBVKFWGYILLGW-UHFFFAOYSA-N 1 2 376.284 2.116 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1c2c(ccc1Br)OCC2 ZINC000880799447 653713556 /nfs/dbraw/zinc/71/35/56/653713556.db2.gz QIQYXHZCJMYDJN-TXEJJXNPSA-N 1 2 396.285 2.369 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1c2c(ccc1Br)OCC2 ZINC000880799447 653713559 /nfs/dbraw/zinc/71/35/59/653713559.db2.gz QIQYXHZCJMYDJN-TXEJJXNPSA-N 1 2 396.285 2.369 20 0 GEADLO CC(=O)c1ccc(Br)c(NC(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000880806639 653715152 /nfs/dbraw/zinc/71/51/52/653715152.db2.gz ILACMONJAIBZOK-NSHDSACASA-N 1 2 384.274 2.182 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)[C@@H](C)C1 ZINC000841516203 653725042 /nfs/dbraw/zinc/72/50/42/653725042.db2.gz QASKMYANELXAKN-QWRGUYRKSA-N 1 2 389.930 2.025 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)[C@@H](C)C1 ZINC000841516203 653725045 /nfs/dbraw/zinc/72/50/45/653725045.db2.gz QASKMYANELXAKN-QWRGUYRKSA-N 1 2 389.930 2.025 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@](C)(CO)Cc1ccc(Br)cc1 ZINC000864414745 653735273 /nfs/dbraw/zinc/73/52/73/653735273.db2.gz WIVOPLVPKWIJTM-GUYCJALGSA-N 1 2 395.301 2.327 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)c3cnccn3)cc2Br)CC1 ZINC000787384795 653737888 /nfs/dbraw/zinc/73/78/88/653737888.db2.gz VHRZCUQQWSSECC-UHFFFAOYSA-N 1 2 376.258 2.243 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)c3cnns3)cc2Br)CC1 ZINC000787534620 653739658 /nfs/dbraw/zinc/73/96/58/653739658.db2.gz ZLHYMLCHCGKEKO-UHFFFAOYSA-N 1 2 382.287 2.305 20 0 GEADLO Nc1cc(COC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc[nH+]1 ZINC000787587237 653740569 /nfs/dbraw/zinc/74/05/69/653740569.db2.gz XESAUYKPHPUJRK-UHFFFAOYSA-N 1 2 380.187 2.310 20 0 GEADLO CC(C)[C@H](CNC(=O)c1cnn(C(C)C)c1Br)[NH+]1CCOCC1 ZINC000864669817 653743226 /nfs/dbraw/zinc/74/32/26/653743226.db2.gz NFULWRDJMZQBKK-AWEZNQCLSA-N 1 2 387.322 2.313 20 0 GEADLO O=C(c1ccc(OC(F)(F)F)cc1Br)N1CC[NH+](CCO)CC1 ZINC000864815051 653745802 /nfs/dbraw/zinc/74/58/02/653745802.db2.gz SGKWDKLTPLTTGW-UHFFFAOYSA-N 1 2 397.191 2.098 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C\c2ccc(Br)o2)CC1 ZINC000864840041 653746567 /nfs/dbraw/zinc/74/65/67/653746567.db2.gz MLQXJLDIFVMGQQ-QBFSEMIESA-N 1 2 398.301 2.116 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C\c2ccc(Br)o2)CC1 ZINC000864840041 653746568 /nfs/dbraw/zinc/74/65/68/653746568.db2.gz MLQXJLDIFVMGQQ-QBFSEMIESA-N 1 2 398.301 2.116 20 0 GEADLO O=C1CCc2cc(OC[C@@H](O)C[N@@H+]3CCC=C(Br)C3)ccc2N1 ZINC000842158910 653746844 /nfs/dbraw/zinc/74/68/44/653746844.db2.gz MABLOGYJBOHIFF-AWEZNQCLSA-N 1 2 381.270 2.296 20 0 GEADLO O=C1CCc2cc(OC[C@@H](O)C[N@H+]3CCC=C(Br)C3)ccc2N1 ZINC000842158910 653746846 /nfs/dbraw/zinc/74/68/46/653746846.db2.gz MABLOGYJBOHIFF-AWEZNQCLSA-N 1 2 381.270 2.296 20 0 GEADLO C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000881959489 653753105 /nfs/dbraw/zinc/75/31/05/653753105.db2.gz BGTZOSQFYZDCLQ-QMTHXVAHSA-N 1 2 378.281 2.231 20 0 GEADLO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000881991787 653755865 /nfs/dbraw/zinc/75/58/65/653755865.db2.gz JOIZGADVGAAKQJ-HZSPNIEDSA-N 1 2 385.357 2.133 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cc(Cl)nc(Cl)c3)cc2C1 ZINC000788836474 653765196 /nfs/dbraw/zinc/76/51/96/653765196.db2.gz PYUSTIYGWVXQPB-UHFFFAOYSA-N 1 2 379.247 2.484 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cc(Cl)nc(Cl)c3)cc2C1 ZINC000788836474 653765197 /nfs/dbraw/zinc/76/51/97/653765197.db2.gz PYUSTIYGWVXQPB-UHFFFAOYSA-N 1 2 379.247 2.484 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCN(c2ccc(CO)c(Br)n2)CC1 ZINC000865438515 653765332 /nfs/dbraw/zinc/76/53/32/653765332.db2.gz BUMBOXLMKKRDJG-UHFFFAOYSA-N 1 2 381.274 2.263 20 0 GEADLO CCCn1cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)nn1 ZINC000865565880 653768651 /nfs/dbraw/zinc/76/86/51/653768651.db2.gz SFQSDLZDNUWYGS-UHFFFAOYSA-N 1 2 392.312 2.063 20 0 GEADLO Cc1cc(C)c(CNS(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)c[nH+]1 ZINC000882240671 653771979 /nfs/dbraw/zinc/77/19/79/653771979.db2.gz AUTOIXZXKDLLSU-XMMPIXPASA-N 1 2 382.511 2.037 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cc(OC)cc(Cl)c1F ZINC000842967694 653775568 /nfs/dbraw/zinc/77/55/68/653775568.db2.gz NWLNUBSJFUBXSF-YPMHNXCESA-N 1 2 375.824 2.380 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cc(OC)cc(Cl)c1F ZINC000842967694 653775569 /nfs/dbraw/zinc/77/55/69/653775569.db2.gz NWLNUBSJFUBXSF-YPMHNXCESA-N 1 2 375.824 2.380 20 0 GEADLO CC[N@@H+]1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)[C@@H](C)C1 ZINC000882350706 653777374 /nfs/dbraw/zinc/77/73/74/653777374.db2.gz PJUAWNFVPXDJKK-VIFPVBQESA-N 1 2 383.212 2.099 20 0 GEADLO CC[N@H+]1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)[C@@H](C)C1 ZINC000882350706 653777379 /nfs/dbraw/zinc/77/73/79/653777379.db2.gz PJUAWNFVPXDJKK-VIFPVBQESA-N 1 2 383.212 2.099 20 0 GEADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]1c1ccccc1I ZINC000865862445 653777597 /nfs/dbraw/zinc/77/75/97/653777597.db2.gz HKAXTXHZXJPJCG-KGLIPLIRSA-N 1 2 397.216 2.411 20 0 GEADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]1c1ccccc1I ZINC000865862447 653777702 /nfs/dbraw/zinc/77/77/02/653777702.db2.gz HKAXTXHZXJPJCG-ZIAGYGMSSA-N 1 2 397.216 2.411 20 0 GEADLO Cc1cccn2c(C[NH2+]Cc3c(I)cnn3C)cnc12 ZINC000865868492 653777999 /nfs/dbraw/zinc/77/79/99/653777999.db2.gz KQAVRFNCTPKQOG-UHFFFAOYSA-N 1 2 381.221 2.271 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000865868404 653778133 /nfs/dbraw/zinc/77/81/33/653778133.db2.gz JEFVJMDACWGVOL-IBGZPJMESA-N 1 2 389.262 2.052 20 0 GEADLO COc1cc(I)ccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000865879966 653778497 /nfs/dbraw/zinc/77/84/97/653778497.db2.gz UMCVICCDANDGNX-UHFFFAOYSA-N 1 2 383.189 2.193 20 0 GEADLO O=S(=O)(CC[C@H]1CC1(Cl)Cl)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000882413141 653780585 /nfs/dbraw/zinc/78/05/85/653780585.db2.gz BIMFFOWNSHVOAS-BFHYXJOUSA-N 1 2 397.368 2.133 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@@](C)(C(F)(F)F)C2)C1 ZINC000882498280 653785023 /nfs/dbraw/zinc/78/50/23/653785023.db2.gz ZRJQQVHKNNUXNN-OAHLLOKOSA-N 1 2 378.416 2.016 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@@](C)(C(F)(F)F)C2)C1 ZINC000882498280 653785024 /nfs/dbraw/zinc/78/50/24/653785024.db2.gz ZRJQQVHKNNUXNN-OAHLLOKOSA-N 1 2 378.416 2.016 20 0 GEADLO COc1ccccc1[C@H]1CSCCCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000882516501 653786213 /nfs/dbraw/zinc/78/62/13/653786213.db2.gz AFPWWGVHNQIBPS-MRXNPFEDSA-N 1 2 381.523 2.402 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)COc2ccc(Br)cn2)CC1 ZINC000866149012 653787158 /nfs/dbraw/zinc/78/71/58/653787158.db2.gz DPAFRHUSNTZKAQ-UHFFFAOYSA-N 1 2 392.244 2.411 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)COc2ccc(Br)cn2)CC1 ZINC000866149012 653787159 /nfs/dbraw/zinc/78/71/59/653787159.db2.gz DPAFRHUSNTZKAQ-UHFFFAOYSA-N 1 2 392.244 2.411 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCc3cc(Br)ccc3C2)CCO1 ZINC000790270190 653788600 /nfs/dbraw/zinc/78/86/00/653788600.db2.gz OGNVPXSJANDPBM-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCc3cc(Br)ccc3C2)CCO1 ZINC000790270190 653788601 /nfs/dbraw/zinc/78/86/01/653788601.db2.gz OGNVPXSJANDPBM-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)c2cnn(C(C)C)c2Br)CC1 ZINC000866283208 653789868 /nfs/dbraw/zinc/78/98/68/653789868.db2.gz SJIQYAHFPBDIMS-UHFFFAOYSA-N 1 2 387.322 2.409 20 0 GEADLO Cn1ncc(I)c1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000866292729 653790475 /nfs/dbraw/zinc/79/04/75/653790475.db2.gz QFLFEUSYLMUWQL-UHFFFAOYSA-N 1 2 384.225 2.249 20 0 GEADLO Cn1ncc(I)c1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000866292729 653790476 /nfs/dbraw/zinc/79/04/76/653790476.db2.gz QFLFEUSYLMUWQL-UHFFFAOYSA-N 1 2 384.225 2.249 20 0 GEADLO O=S(=O)(c1cc2nc(Cl)ncc2s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000866387408 653792534 /nfs/dbraw/zinc/79/25/34/653792534.db2.gz QLOOVBPVUHVWKP-UHFFFAOYSA-N 1 2 395.897 2.251 20 0 GEADLO COc1cccc(Br)c1CS(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000866503096 653799495 /nfs/dbraw/zinc/79/94/95/653799495.db2.gz NOLOHLZGAIHKQJ-NSHDSACASA-N 1 2 388.287 2.162 20 0 GEADLO COC(=O)c1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c(Br)c1 ZINC000844137199 653802049 /nfs/dbraw/zinc/80/20/49/653802049.db2.gz MOILYYWYNUYYGN-ZDUSSCGKSA-N 1 2 392.253 2.311 20 0 GEADLO C[C@@H](c1ccccc1)[NH+]1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000882811330 653810270 /nfs/dbraw/zinc/81/02/70/653810270.db2.gz SNRJRUYRZQOXSA-ZDUSSCGKSA-N 1 2 377.286 2.426 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1F ZINC000866679007 653810396 /nfs/dbraw/zinc/81/03/96/653810396.db2.gz ZEXKQTGBDIWYDO-XMMPIXPASA-N 1 2 386.474 2.061 20 0 GEADLO CCCN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=S(C)(C)=O ZINC000866694317 653812314 /nfs/dbraw/zinc/81/23/14/653812314.db2.gz LNJCLOLHYOWMGL-QGZVFWFLSA-N 1 2 387.571 2.335 20 0 GEADLO CCCN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N=S(C)(C)=O ZINC000866694317 653812316 /nfs/dbraw/zinc/81/23/16/653812316.db2.gz LNJCLOLHYOWMGL-QGZVFWFLSA-N 1 2 387.571 2.335 20 0 GEADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)CC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000822156681 653819541 /nfs/dbraw/zinc/81/95/41/653819541.db2.gz WAWKBCPICLIFAL-OAHLLOKOSA-N 1 2 384.307 2.404 20 0 GEADLO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000883027208 653823051 /nfs/dbraw/zinc/82/30/51/653823051.db2.gz SNLSGCVJVRZTJW-SECBINFHSA-N 1 2 391.225 2.178 20 0 GEADLO C[C@]1(CCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@]1(F)Cl ZINC000844913386 653829004 /nfs/dbraw/zinc/82/90/04/653829004.db2.gz VUXDPNNISXOPPD-ARFHVFGLSA-N 1 2 379.929 2.198 20 0 GEADLO C[NH+](C)CC[C@H](N)c1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000844921368 653829643 /nfs/dbraw/zinc/82/96/43/653829643.db2.gz YQXIAFVLGMAYPE-NSHDSACASA-N 1 2 392.261 2.236 20 0 GEADLO O=C(NCCO)C1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000792162952 653836326 /nfs/dbraw/zinc/83/63/26/653836326.db2.gz SKFMDBSRFWCZNU-UHFFFAOYSA-N 1 2 381.723 2.485 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000866864359 653840334 /nfs/dbraw/zinc/84/03/34/653840334.db2.gz HQEBBPWTFMHQDH-UKRRQHHQSA-N 1 2 393.600 2.473 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000866864359 653840337 /nfs/dbraw/zinc/84/03/37/653840337.db2.gz HQEBBPWTFMHQDH-UKRRQHHQSA-N 1 2 393.600 2.473 20 0 GEADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCCn1cc(Br)cn1 ZINC000822894511 653844739 /nfs/dbraw/zinc/84/47/39/653844739.db2.gz COUVUZDXSKXFLK-SNVBAGLBSA-N 1 2 380.168 2.152 20 0 GEADLO CN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=S1(=O)CCCC1 ZINC000866902273 653846647 /nfs/dbraw/zinc/84/66/47/653846647.db2.gz BIIBYIWDTLNFSQ-KRWDZBQOSA-N 1 2 385.555 2.089 20 0 GEADLO CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N=S1(=O)CCCC1 ZINC000866902273 653846650 /nfs/dbraw/zinc/84/66/50/653846650.db2.gz BIIBYIWDTLNFSQ-KRWDZBQOSA-N 1 2 385.555 2.089 20 0 GEADLO Brc1cnc([C@H]2CCCN2c2nc(N3CCOCC3)cc[nH+]2)nc1 ZINC000895713782 653847427 /nfs/dbraw/zinc/84/74/27/653847427.db2.gz NLXFQLDAGUIXQL-CYBMUJFWSA-N 1 2 391.273 2.207 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2c(Cl)oc3ccccc32)CC1 ZINC000845479822 653850935 /nfs/dbraw/zinc/85/09/35/653850935.db2.gz PXOVHKTWXPJKHU-UHFFFAOYSA-N 1 2 384.885 2.325 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000866931145 653851476 /nfs/dbraw/zinc/85/14/76/653851476.db2.gz ZKGFSOPWRIPWJE-WBVHZDCISA-N 1 2 387.571 2.382 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000866931145 653851478 /nfs/dbraw/zinc/85/14/78/653851478.db2.gz ZKGFSOPWRIPWJE-WBVHZDCISA-N 1 2 387.571 2.382 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1F ZINC000866941161 653852673 /nfs/dbraw/zinc/85/26/73/653852673.db2.gz BIUOKSJSWXTWQW-YYUOZPCZSA-N 1 2 386.474 2.130 20 0 GEADLO C[C@@H]1C[C@H](NS(=O)(=O)c2nc[nH]c2Br)C[N@@H+]1Cc1ccccc1 ZINC000866953185 653853989 /nfs/dbraw/zinc/85/39/89/653853989.db2.gz NXOJCOOFXQIPAU-YPMHNXCESA-N 1 2 399.314 2.114 20 0 GEADLO C[C@@H]1C[C@H](NS(=O)(=O)c2nc[nH]c2Br)C[N@H+]1Cc1ccccc1 ZINC000866953185 653853995 /nfs/dbraw/zinc/85/39/95/653853995.db2.gz NXOJCOOFXQIPAU-YPMHNXCESA-N 1 2 399.314 2.114 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000823143900 653855567 /nfs/dbraw/zinc/85/55/67/653855567.db2.gz VPIVJGHDFOYSQY-LLVKDONJSA-N 1 2 377.229 2.066 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1sccc1Br ZINC000883952650 653858433 /nfs/dbraw/zinc/85/84/33/653858433.db2.gz QDUYKTPJNAVNTK-GFCCVEGCSA-N 1 2 390.347 2.415 20 0 GEADLO O=C(Cn1cc(C[NH+]2CCC(O)CC2)nn1)Nc1c(Cl)cccc1Cl ZINC000883991435 653859746 /nfs/dbraw/zinc/85/97/46/653859746.db2.gz DCFJGBBCRVMWEJ-UHFFFAOYSA-N 1 2 384.267 2.180 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000867001472 653863640 /nfs/dbraw/zinc/86/36/40/653863640.db2.gz GHIHKGKRPVSXKL-AWEZNQCLSA-N 1 2 387.373 2.190 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000793251945 653872203 /nfs/dbraw/zinc/87/22/03/653872203.db2.gz VPHPMRUKUUYIEX-UHFFFAOYSA-N 1 2 380.242 2.088 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000823628139 653874690 /nfs/dbraw/zinc/87/46/90/653874690.db2.gz SQEJAPZYUONAOC-RISCZKNCSA-N 1 2 389.253 2.203 20 0 GEADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(Br)n(C)n3)CC2)c1 ZINC000823691235 653877240 /nfs/dbraw/zinc/87/72/40/653877240.db2.gz GEUVTVSETALPLO-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000793456035 653878595 /nfs/dbraw/zinc/87/85/95/653878595.db2.gz KAJWBDAJRXESDE-SNVBAGLBSA-N 1 2 378.514 2.061 20 0 GEADLO CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=S1(=O)CCCC1 ZINC000867106486 653879600 /nfs/dbraw/zinc/87/96/00/653879600.db2.gz HHMSVYUCTICHPZ-KRWDZBQOSA-N 1 2 385.555 2.089 20 0 GEADLO CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N=S1(=O)CCCC1 ZINC000867106486 653879602 /nfs/dbraw/zinc/87/96/02/653879602.db2.gz HHMSVYUCTICHPZ-KRWDZBQOSA-N 1 2 385.555 2.089 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)C(C)(C)C1 ZINC000846014995 653880613 /nfs/dbraw/zinc/88/06/13/653880613.db2.gz JYDSMHXRDBTZHJ-UHFFFAOYSA-N 1 2 382.313 2.120 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)C(C)(C)C1 ZINC000846014995 653880615 /nfs/dbraw/zinc/88/06/15/653880615.db2.gz JYDSMHXRDBTZHJ-UHFFFAOYSA-N 1 2 382.313 2.120 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896526842 653882612 /nfs/dbraw/zinc/88/26/12/653882612.db2.gz LPVNFZAZLYUKIE-LZLXCTOHSA-N 1 2 394.357 2.477 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896526842 653882615 /nfs/dbraw/zinc/88/26/15/653882615.db2.gz LPVNFZAZLYUKIE-LZLXCTOHSA-N 1 2 394.357 2.477 20 0 GEADLO OCCOCC1(O)CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000884721976 653886319 /nfs/dbraw/zinc/88/63/19/653886319.db2.gz BLLWSRFDZRPSEF-UHFFFAOYSA-N 1 2 381.270 2.338 20 0 GEADLO Cc1cc(N2CCn3ncc(I)c3C2)nc(C2CC2)[nH+]1 ZINC000896605501 653887755 /nfs/dbraw/zinc/88/77/55/653887755.db2.gz WKLGITSBAFFYEE-UHFFFAOYSA-N 1 2 381.221 2.484 20 0 GEADLO Cc1sc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)nc1C(C)C ZINC000824285621 653890418 /nfs/dbraw/zinc/89/04/18/653890418.db2.gz PQBQQNBTCGREGH-UHFFFAOYSA-N 1 2 388.559 2.205 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000896980582 653901307 /nfs/dbraw/zinc/90/13/07/653901307.db2.gz MRDCKPVCIGUBLQ-GXSJLCMTSA-N 1 2 399.236 2.243 20 0 GEADLO C[C@@]1(CCNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@@]1(F)Cl ZINC000846728984 653907990 /nfs/dbraw/zinc/90/79/90/653907990.db2.gz MTMOZNBAJKBLEY-SJORKVTESA-N 1 2 387.908 2.043 20 0 GEADLO C[C@@]1(CCNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@@]1(F)Cl ZINC000846728984 653907992 /nfs/dbraw/zinc/90/79/92/653907992.db2.gz MTMOZNBAJKBLEY-SJORKVTESA-N 1 2 387.908 2.043 20 0 GEADLO CCN1C[C@@H](C[N@H+](CCO)Cc2cc(Br)ccc2F)OC1=O ZINC000846798031 653910741 /nfs/dbraw/zinc/91/07/41/653910741.db2.gz XOOFEHSFBCENRN-CYBMUJFWSA-N 1 2 375.238 2.223 20 0 GEADLO CCN1C[C@@H](C[N@@H+](CCO)Cc2cc(Br)ccc2F)OC1=O ZINC000846798031 653910750 /nfs/dbraw/zinc/91/07/50/653910750.db2.gz XOOFEHSFBCENRN-CYBMUJFWSA-N 1 2 375.238 2.223 20 0 GEADLO COc1ccccc1NC(=O)CN1CC[NH+](CC2(Br)CC2)CC1 ZINC000846832521 653911122 /nfs/dbraw/zinc/91/11/22/653911122.db2.gz DYECLVKXNXAZGI-UHFFFAOYSA-N 1 2 382.302 2.179 20 0 GEADLO NC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CC2(Br)CC2)CC1 ZINC000846848732 653911317 /nfs/dbraw/zinc/91/13/17/653911317.db2.gz OZPZKQZBLNVJBC-CQSZACIVSA-N 1 2 386.721 2.412 20 0 GEADLO COc1cc(I)ccc1C(=O)NCCc1c[nH+]cn1C ZINC000867332614 653917573 /nfs/dbraw/zinc/91/75/73/653917573.db2.gz WBBURHUGTFXNDG-UHFFFAOYSA-N 1 2 385.205 2.006 20 0 GEADLO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000897353050 653917706 /nfs/dbraw/zinc/91/77/06/653917706.db2.gz XTJROLXHZFMODR-UONOGXRCSA-N 1 2 381.263 2.051 20 0 GEADLO COc1cc(Br)ccc1CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867365863 653922954 /nfs/dbraw/zinc/92/29/54/653922954.db2.gz CEZILTFBNHQWRT-HWKANZROSA-N 1 2 397.313 2.395 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2nn3c(c2Br)CCC3)C1 ZINC000897583168 653928757 /nfs/dbraw/zinc/92/87/57/653928757.db2.gz IHJGEQSGKQDSOB-NSHDSACASA-N 1 2 378.274 2.345 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000897583609 653928778 /nfs/dbraw/zinc/92/87/78/653928778.db2.gz PDJCNJMQYCFPDJ-JTQLQIEISA-N 1 2 399.236 2.076 20 0 GEADLO Cc1ccc2[nH]c(C(=O)N[C@@H](CO)c3c[nH+]cn3C)cc2c1Br ZINC000825531039 653932751 /nfs/dbraw/zinc/93/27/51/653932751.db2.gz GXNUAPHOJQMOCC-ZDUSSCGKSA-N 1 2 377.242 2.436 20 0 GEADLO C[C@H]([C@H](C)NC(=O)[C@@]1(C)CC1(Br)Br)[NH+]1CCOCC1 ZINC000826572239 653953640 /nfs/dbraw/zinc/95/36/40/653953640.db2.gz OFINADMULCMETB-HOSYDEDBSA-N 1 2 398.139 2.108 20 0 GEADLO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)c(F)cc1O ZINC000885885592 653961539 /nfs/dbraw/zinc/96/15/39/653961539.db2.gz GLBSPKIPGYRYPE-NSHDSACASA-N 1 2 387.249 2.277 20 0 GEADLO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cc(Br)c(F)cc1O ZINC000885885592 653961541 /nfs/dbraw/zinc/96/15/41/653961541.db2.gz GLBSPKIPGYRYPE-NSHDSACASA-N 1 2 387.249 2.277 20 0 GEADLO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)c(F)cc1O ZINC000885885591 653961622 /nfs/dbraw/zinc/96/16/22/653961622.db2.gz GLBSPKIPGYRYPE-LLVKDONJSA-N 1 2 387.249 2.277 20 0 GEADLO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cc(Br)c(F)cc1O ZINC000885885591 653961625 /nfs/dbraw/zinc/96/16/25/653961625.db2.gz GLBSPKIPGYRYPE-LLVKDONJSA-N 1 2 387.249 2.277 20 0 GEADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(Cn3ncsc3=S)C2)CC1 ZINC000795748858 653965085 /nfs/dbraw/zinc/96/50/85/653965085.db2.gz ZBUSKAPJNPQNSL-CYBMUJFWSA-N 1 2 385.559 2.259 20 0 GEADLO Cc1c(Br)ccc(F)c1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000826943337 653967406 /nfs/dbraw/zinc/96/74/06/653967406.db2.gz WEVKJLRUFLOJIZ-UHFFFAOYSA-N 1 2 387.249 2.075 20 0 GEADLO Cc1c(Br)ccc(F)c1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000826943337 653967410 /nfs/dbraw/zinc/96/74/10/653967410.db2.gz WEVKJLRUFLOJIZ-UHFFFAOYSA-N 1 2 387.249 2.075 20 0 GEADLO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000898399092 653968780 /nfs/dbraw/zinc/96/87/80/653968780.db2.gz OHGQZEMIAORPQK-VWLOTQADSA-N 1 2 381.468 2.225 20 0 GEADLO Cc1ccc(N)cc1S(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000867654809 653969116 /nfs/dbraw/zinc/96/91/16/653969116.db2.gz GXJULGVJUVCVIK-UHFFFAOYSA-N 1 2 378.523 2.004 20 0 GEADLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CC1(Br)Br ZINC000898506640 653974477 /nfs/dbraw/zinc/97/44/77/653974477.db2.gz GBOKGNFQECWDCK-MWLCHTKSSA-N 1 2 386.103 2.433 20 0 GEADLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CC1(Br)Br ZINC000898506640 653974479 /nfs/dbraw/zinc/97/44/79/653974479.db2.gz GBOKGNFQECWDCK-MWLCHTKSSA-N 1 2 386.103 2.433 20 0 GEADLO Cn1nc(Br)cc1C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000796029051 653982556 /nfs/dbraw/zinc/98/25/56/653982556.db2.gz IXLXOMJBCYAUKX-TXEJJXNPSA-N 1 2 385.306 2.481 20 0 GEADLO Cn1nc(Br)cc1C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000796029051 653982559 /nfs/dbraw/zinc/98/25/59/653982559.db2.gz IXLXOMJBCYAUKX-TXEJJXNPSA-N 1 2 385.306 2.481 20 0 GEADLO CN(C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000827267517 653983579 /nfs/dbraw/zinc/98/35/79/653983579.db2.gz ZXCAXIHTPFZNDM-AWEZNQCLSA-N 1 2 376.400 2.146 20 0 GEADLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898882693 653990540 /nfs/dbraw/zinc/99/05/40/653990540.db2.gz AMKFUZQYBPGIKS-HNNXBMFYSA-N 1 2 391.269 2.365 20 0 GEADLO CC(C)Oc1cc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)ccc1Br ZINC000898891716 653990966 /nfs/dbraw/zinc/99/09/66/653990966.db2.gz KDJGMWHDJFGVQX-ZDUSSCGKSA-N 1 2 382.258 2.433 20 0 GEADLO Cc1cc(I)cc(C(=O)N[C@H](CO)c2c[nH+]cn2C)c1C ZINC000898887295 653991063 /nfs/dbraw/zinc/99/10/63/653991063.db2.gz KMWJMVFRDCCUIA-CYBMUJFWSA-N 1 2 399.232 2.105 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000898889300 653991090 /nfs/dbraw/zinc/99/10/90/653991090.db2.gz UNRZBINDTSYLKH-CQSZACIVSA-N 1 2 378.270 2.454 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)Cc3ccc(Br)s3)CC2)CC1 ZINC000827455542 653993007 /nfs/dbraw/zinc/99/30/07/653993007.db2.gz CTBHLVUZWSLYGI-UHFFFAOYSA-N 1 2 386.359 2.292 20 0 GEADLO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899052233 653997271 /nfs/dbraw/zinc/99/72/71/653997271.db2.gz AVPUPXUKRCKFRX-LBPRGKRZSA-N 1 2 389.279 2.326 20 0 GEADLO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899052233 653997273 /nfs/dbraw/zinc/99/72/73/653997273.db2.gz AVPUPXUKRCKFRX-LBPRGKRZSA-N 1 2 389.279 2.326 20 0 GEADLO Cc1cc(NCCNC(=O)c2cn(C)nc2Br)nc(C(C)C)[nH+]1 ZINC000899137017 654000941 /nfs/dbraw/zinc/00/09/41/654000941.db2.gz WKFCNSWPPUJPFF-UHFFFAOYSA-N 1 2 381.278 2.246 20 0 GEADLO COC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000886867677 654005963 /nfs/dbraw/zinc/00/59/63/654005963.db2.gz LCRBKKZJYAWIBM-RISCZKNCSA-N 1 2 384.274 2.057 20 0 GEADLO COC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000886867677 654005968 /nfs/dbraw/zinc/00/59/68/654005968.db2.gz LCRBKKZJYAWIBM-RISCZKNCSA-N 1 2 384.274 2.057 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3cc(Br)cnc3C3CC3)CC[NH2+]2)cn1 ZINC000827909758 654012611 /nfs/dbraw/zinc/01/26/11/654012611.db2.gz ATGWPUCOGVHVTI-HNNXBMFYSA-N 1 2 390.285 2.242 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1ncc(Br)s1 ZINC000868034510 654015254 /nfs/dbraw/zinc/01/52/54/654015254.db2.gz AEJUEBOHWWABKD-UHFFFAOYSA-N 1 2 384.303 2.480 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000868066838 654016801 /nfs/dbraw/zinc/01/68/01/654016801.db2.gz QABMQNAEWFJIIZ-FIMWJMCYSA-N 1 2 381.270 2.277 20 0 GEADLO CC(C)C[C@H](C(=O)Nc1cnn(C)c1I)n1cc[nH+]c1 ZINC000887064002 654017762 /nfs/dbraw/zinc/01/77/62/654017762.db2.gz WUHHHIUXRAIQOL-LLVKDONJSA-N 1 2 387.225 2.447 20 0 GEADLO Cn1nc(Br)cc1C[N@@H+]1CCc2nnc(N3CCCC3)cc2C1 ZINC000828101124 654022000 /nfs/dbraw/zinc/02/20/00/654022000.db2.gz UWWGUSHXGQQMCI-UHFFFAOYSA-N 1 2 377.290 2.131 20 0 GEADLO Cn1nc(Br)cc1C[N@H+]1CCc2nnc(N3CCCC3)cc2C1 ZINC000828101124 654022004 /nfs/dbraw/zinc/02/20/04/654022004.db2.gz UWWGUSHXGQQMCI-UHFFFAOYSA-N 1 2 377.290 2.131 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cccc3scnc32)CC1 ZINC000849406760 654025165 /nfs/dbraw/zinc/02/51/65/654025165.db2.gz BTIZKFHOJBQVFH-ZDUSSCGKSA-N 1 2 381.523 2.170 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cccc3scnc32)CC1 ZINC000849406760 654025170 /nfs/dbraw/zinc/02/51/70/654025170.db2.gz BTIZKFHOJBQVFH-ZDUSSCGKSA-N 1 2 381.523 2.170 20 0 GEADLO CC(C)n1ncc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1Br ZINC000868274733 654026841 /nfs/dbraw/zinc/02/68/41/654026841.db2.gz HSLNLLIGDIZKMX-OLZOCXBDSA-N 1 2 385.306 2.162 20 0 GEADLO OC1CC[NH+](Cc2cn([C@H]3CCOc4ccc(Br)cc43)nn2)CC1 ZINC000899738769 654030993 /nfs/dbraw/zinc/03/09/93/654030993.db2.gz HAKYAJRVKLZMPU-INIZCTEOSA-N 1 2 393.285 2.369 20 0 GEADLO OC1(c2scnc2Br)CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000797525203 654034774 /nfs/dbraw/zinc/03/47/74/654034774.db2.gz FBDGEANQXCXVIL-LBPRGKRZSA-N 1 2 391.331 2.385 20 0 GEADLO COC(=O)c1cc(C2C[NH+](C[C@H](O)c3ccc(F)c(Br)c3)C2)[nH]n1 ZINC000899914747 654036648 /nfs/dbraw/zinc/03/66/48/654036648.db2.gz PMBVWRYFDLRJOG-HNNXBMFYSA-N 1 2 398.232 2.231 20 0 GEADLO CCOC(=O)CS[C@@H](CNC(=O)c1cccc2[nH+]ccn21)C(F)(F)F ZINC000828518381 654039834 /nfs/dbraw/zinc/03/98/34/654039834.db2.gz MWTLTXDKQLACKW-NSHDSACASA-N 1 2 375.372 2.291 20 0 GEADLO Cc1cc(CNC(=O)NCc2c(I)cnn2C)cc(C)[nH+]1 ZINC000868716341 654052023 /nfs/dbraw/zinc/05/20/23/654052023.db2.gz YMIFLJMLBKUMTO-UHFFFAOYSA-N 1 2 399.236 2.036 20 0 GEADLO CC(C)(C)n1ncc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1Br ZINC000828955319 654055980 /nfs/dbraw/zinc/05/59/80/654055980.db2.gz GXWKXGBSGQOUNW-CYBMUJFWSA-N 1 2 399.333 2.337 20 0 GEADLO O=C(c1ccc(Br)[nH]c1=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000828981054 654056870 /nfs/dbraw/zinc/05/68/70/654056870.db2.gz SEJBAFAIOKHIID-CYBMUJFWSA-N 1 2 380.217 2.476 20 0 GEADLO NS(=O)(=O)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000798318359 654058306 /nfs/dbraw/zinc/05/83/06/654058306.db2.gz GPRBKEGQEZPPEQ-UHFFFAOYSA-N 1 2 376.825 2.425 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)c2cc(Br)ncc2Br)c1 ZINC000868838567 654058432 /nfs/dbraw/zinc/05/84/32/654058432.db2.gz JPUVSSKXFGEJGG-UHFFFAOYSA-N 1 2 388.063 2.313 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)NC[C@@H](O)c1ccsc1 ZINC000868950206 654064068 /nfs/dbraw/zinc/06/40/68/654064068.db2.gz ICJJXKZSEVRJSW-OAHLLOKOSA-N 1 2 378.523 2.229 20 0 GEADLO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000900448293 654064365 /nfs/dbraw/zinc/06/43/65/654064365.db2.gz ITKKDTRQLTWTMQ-UHFFFAOYSA-N 1 2 382.251 2.178 20 0 GEADLO COc1ccc(Br)cc1C1(NC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000869063479 654068165 /nfs/dbraw/zinc/06/81/65/654068165.db2.gz NOLNMCKVNJKEOG-IHWYPQMZSA-N 1 2 395.297 2.451 20 0 GEADLO O=C(NC1CC([NH+]2CCOCC2)C1)c1nc(Br)sc1Cl ZINC000869102862 654069317 /nfs/dbraw/zinc/06/93/17/654069317.db2.gz PHBHXEKWAGZPJA-UHFFFAOYSA-N 1 2 380.695 2.152 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000900797300 654080668 /nfs/dbraw/zinc/08/06/68/654080668.db2.gz TUHXWDKXYFXJOB-SNVBAGLBSA-N 1 2 379.404 2.053 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000900797300 654080673 /nfs/dbraw/zinc/08/06/73/654080673.db2.gz TUHXWDKXYFXJOB-SNVBAGLBSA-N 1 2 379.404 2.053 20 0 GEADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869250635 654081056 /nfs/dbraw/zinc/08/10/56/654081056.db2.gz IMLMFLLEWJAUTB-KMUNFCNLSA-N 1 2 380.242 2.194 20 0 GEADLO O=S(=O)(c1cc(Cl)cc(Br)c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000850587877 654083958 /nfs/dbraw/zinc/08/39/58/654083958.db2.gz MSZNSPJGHVCVHX-JTQLQIEISA-N 1 2 389.649 2.330 20 0 GEADLO C[C@@](O)(CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccsc1 ZINC000799775401 654111662 /nfs/dbraw/zinc/11/16/62/654111662.db2.gz FNSHZNQGUFPHFL-QGZVFWFLSA-N 1 2 377.491 2.179 20 0 GEADLO C[C@@H](c1ncc(Br)cn1)[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830461691 654119439 /nfs/dbraw/zinc/11/94/39/654119439.db2.gz DHJIIWVPFVPXQK-JQWIXIFHSA-N 1 2 389.294 2.118 20 0 GEADLO C[C@@H](c1ncc(Br)cn1)[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830461691 654119440 /nfs/dbraw/zinc/11/94/40/654119440.db2.gz DHJIIWVPFVPXQK-JQWIXIFHSA-N 1 2 389.294 2.118 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000830509763 654122968 /nfs/dbraw/zinc/12/29/68/654122968.db2.gz MQGXXWKWRNVPEN-HUUCEWRRSA-N 1 2 396.285 2.327 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000830509763 654122970 /nfs/dbraw/zinc/12/29/70/654122970.db2.gz MQGXXWKWRNVPEN-HUUCEWRRSA-N 1 2 396.285 2.327 20 0 GEADLO O=C(COc1ccsc1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000800309444 654140574 /nfs/dbraw/zinc/14/05/74/654140574.db2.gz IXJHTSGCAOGSCA-UHFFFAOYSA-N 1 2 380.491 2.076 20 0 GEADLO Cc1ccc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)c(C)c1Br ZINC000870061999 654141880 /nfs/dbraw/zinc/14/18/80/654141880.db2.gz IHVJOYKKGINUOS-HNNXBMFYSA-N 1 2 397.313 2.239 20 0 GEADLO COc1cccc(C[NH+]2CCN(C(=O)c3cc(Br)n[nH]3)CC2)c1 ZINC000870157997 654146983 /nfs/dbraw/zinc/14/69/83/654146983.db2.gz WZVIPCRIXMEOQC-UHFFFAOYSA-N 1 2 379.258 2.139 20 0 GEADLO CC(C)n1cc(Cl)c(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000889538655 654147675 /nfs/dbraw/zinc/14/76/75/654147675.db2.gz WLFKDCTVDOMLHF-MRXNPFEDSA-N 1 2 387.937 2.447 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2c[nH]nc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000830972191 654153936 /nfs/dbraw/zinc/15/39/36/654153936.db2.gz ITQXKZWJACMBPV-WCQYABFASA-N 1 2 375.281 2.440 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)c2c[nH]nc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000830972191 654153938 /nfs/dbraw/zinc/15/39/38/654153938.db2.gz ITQXKZWJACMBPV-WCQYABFASA-N 1 2 375.281 2.440 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CCO1 ZINC000800703235 654156222 /nfs/dbraw/zinc/15/62/22/654156222.db2.gz QGBATDCOSXTSIC-SWLSCSKDSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CCO1 ZINC000800703235 654156229 /nfs/dbraw/zinc/15/62/29/654156229.db2.gz QGBATDCOSXTSIC-SWLSCSKDSA-N 1 2 398.301 2.293 20 0 GEADLO CC(C)n1ncc(C(=O)O[C@H]2CC[N@H+](CCF)C2)c1I ZINC000870330990 654163580 /nfs/dbraw/zinc/16/35/80/654163580.db2.gz QSJOIPLFPUWWEE-JTQLQIEISA-N 1 2 395.216 2.269 20 0 GEADLO CC(C)n1ncc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)c1I ZINC000870330990 654163585 /nfs/dbraw/zinc/16/35/85/654163585.db2.gz QSJOIPLFPUWWEE-JTQLQIEISA-N 1 2 395.216 2.269 20 0 GEADLO Cn1c[nH+]cc1CCCn1cnc2c(I)cccc2c1=O ZINC000902445801 654178604 /nfs/dbraw/zinc/17/86/04/654178604.db2.gz ZXNXKWQHTUCYFM-UHFFFAOYSA-N 1 2 394.216 2.367 20 0 GEADLO O=C(NC[C@H]1CCCC[N@H+]1CCn1cnc(Br)n1)c1ccccc1 ZINC000851797050 654178891 /nfs/dbraw/zinc/17/88/91/654178891.db2.gz BGNGTZZLEONCSM-OAHLLOKOSA-N 1 2 392.301 2.325 20 0 GEADLO O=C(NC[C@H]1CCCC[N@@H+]1CCn1cnc(Br)n1)c1ccccc1 ZINC000851797050 654178901 /nfs/dbraw/zinc/17/89/01/654178901.db2.gz BGNGTZZLEONCSM-OAHLLOKOSA-N 1 2 392.301 2.325 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)NCC(C)(C)CS(C)(=O)=O)cn2c1 ZINC000831469566 654186268 /nfs/dbraw/zinc/18/62/68/654186268.db2.gz XEOMNKMBLDQTJP-UHFFFAOYSA-N 1 2 383.539 2.063 20 0 GEADLO Cc1nn2cc(S(=O)(=O)N3CC[N@@H+](C)[C@H](C(C)(C)C)C3)cnc2c1Cl ZINC000919597436 654186355 /nfs/dbraw/zinc/18/63/55/654186355.db2.gz JEMPFFOOPXZANE-ZDUSSCGKSA-N 1 2 385.921 2.042 20 0 GEADLO Cc1nn2cc(S(=O)(=O)N3CC[N@H+](C)[C@H](C(C)(C)C)C3)cnc2c1Cl ZINC000919597436 654186357 /nfs/dbraw/zinc/18/63/57/654186357.db2.gz JEMPFFOOPXZANE-ZDUSSCGKSA-N 1 2 385.921 2.042 20 0 GEADLO Cc1cc(Br)cn2c(CNc3n[nH]cc3C(=O)N(C)C)c[nH+]c12 ZINC000902661350 654191098 /nfs/dbraw/zinc/19/10/98/654191098.db2.gz UUHJAOYOMDEBDE-UHFFFAOYSA-N 1 2 377.246 2.442 20 0 GEADLO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cn2ccc(-c3nccs3)n2)CC1 ZINC000902672018 654192010 /nfs/dbraw/zinc/19/20/10/654192010.db2.gz PNUBPCHGFVGZMF-VWLOTQADSA-N 1 2 382.559 2.251 20 0 GEADLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000801457413 654195863 /nfs/dbraw/zinc/19/58/63/654195863.db2.gz ILRUSOYHNBZUKB-IUODEOHRSA-N 1 2 388.917 2.420 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000920020606 654199490 /nfs/dbraw/zinc/19/94/90/654199490.db2.gz NJXNZGXXNXTAQU-ZWNOBZJWSA-N 1 2 399.866 2.271 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1C[N@@H+](C)CCN1C ZINC000920020606 654199500 /nfs/dbraw/zinc/19/95/00/654199500.db2.gz NJXNZGXXNXTAQU-ZWNOBZJWSA-N 1 2 399.866 2.271 20 0 GEADLO CC(C)(CNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)[NH+]1CCOCC1 ZINC000851908633 654205053 /nfs/dbraw/zinc/20/50/53/654205053.db2.gz RZXYYIOYQUNESZ-OAHLLOKOSA-N 1 2 390.311 2.437 20 0 GEADLO COC(=O)CCN1CCC[C@H]([N@@H+]2Cc3ccc(Br)cc3C2)C1=O ZINC000851940283 654207213 /nfs/dbraw/zinc/20/72/13/654207213.db2.gz YAHAHAYOPKIUCH-HNNXBMFYSA-N 1 2 381.270 2.319 20 0 GEADLO COC(=O)CCN1CCC[C@H]([N@H+]2Cc3ccc(Br)cc3C2)C1=O ZINC000851940283 654207217 /nfs/dbraw/zinc/20/72/17/654207217.db2.gz YAHAHAYOPKIUCH-HNNXBMFYSA-N 1 2 381.270 2.319 20 0 GEADLO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000851967273 654209144 /nfs/dbraw/zinc/20/91/44/654209144.db2.gz YOSLZUZLODVBCZ-CZUORRHYSA-N 1 2 375.358 2.138 20 0 GEADLO CCOP(=O)(OCC)[C@@H](O)C[N@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000851967273 654209150 /nfs/dbraw/zinc/20/91/50/654209150.db2.gz YOSLZUZLODVBCZ-CZUORRHYSA-N 1 2 375.358 2.138 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000903008650 654209248 /nfs/dbraw/zinc/20/92/48/654209248.db2.gz OBLIWCDAPKFJMZ-UHFFFAOYSA-N 1 2 391.331 2.232 20 0 GEADLO C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000870943788 654211657 /nfs/dbraw/zinc/21/16/57/654211657.db2.gz VMGLTPZPIIMCHO-RDTXWAMCSA-N 1 2 392.297 2.318 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccc(F)cc1Cl)C[C@H](O)CO ZINC000852179664 654223592 /nfs/dbraw/zinc/22/35/92/654223592.db2.gz LLBFKIBHNAMQLI-AWEZNQCLSA-N 1 2 376.856 2.159 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccc(F)cc1Cl)C[C@H](O)CO ZINC000852179664 654223598 /nfs/dbraw/zinc/22/35/98/654223598.db2.gz LLBFKIBHNAMQLI-AWEZNQCLSA-N 1 2 376.856 2.159 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000920936119 654229575 /nfs/dbraw/zinc/22/95/75/654229575.db2.gz GBWQZYXMPXHZNL-NSHDSACASA-N 1 2 380.436 2.114 20 0 GEADLO C[C@](CO)(NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000890630870 654233661 /nfs/dbraw/zinc/23/36/61/654233661.db2.gz VTGTVSHYTMASNL-YVEFUNNKSA-N 1 2 378.270 2.232 20 0 GEADLO C/C(=C/C(=O)N[C@](C)(CO)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000890631106 654234042 /nfs/dbraw/zinc/23/40/42/654234042.db2.gz ZRQRIKQNPIQXOL-RXEWJAMOSA-N 1 2 397.313 2.051 20 0 GEADLO C[C@@](CO)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc(Br)c1 ZINC000890631748 654234383 /nfs/dbraw/zinc/23/43/83/654234383.db2.gz HRUIETVAKCNQEQ-PXAZEXFGSA-N 1 2 378.270 2.232 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccccc2Br)n1 ZINC000921080010 654234730 /nfs/dbraw/zinc/23/47/30/654234730.db2.gz FFLGLIDDLYVGKV-UHFFFAOYSA-N 1 2 390.328 2.446 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2cccc3c2OC(F)(F)O3)n1 ZINC000921092468 654235429 /nfs/dbraw/zinc/23/54/29/654235429.db2.gz DOGVWRKGUJAQJZ-UHFFFAOYSA-N 1 2 391.421 2.005 20 0 GEADLO CCc1nocc1C[NH+]1CCC(n2nncc2I)CC1 ZINC000852533060 654246589 /nfs/dbraw/zinc/24/65/89/654246589.db2.gz SIDWXYNPSJOMCX-UHFFFAOYSA-N 1 2 387.225 2.270 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCS[C@@H](C(F)(F)F)C2)C1 ZINC000921333608 654249723 /nfs/dbraw/zinc/24/97/23/654249723.db2.gz UQGCINVQEYLEJL-CQSZACIVSA-N 1 2 380.457 2.343 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCS[C@@H](C(F)(F)F)C2)C1 ZINC000921333608 654249726 /nfs/dbraw/zinc/24/97/26/654249726.db2.gz UQGCINVQEYLEJL-CQSZACIVSA-N 1 2 380.457 2.343 20 0 GEADLO O=S(=O)(CC[N@H+](CCN1CCOCC1)CC1CC1)c1ccc(Cl)cc1 ZINC000852637429 654251862 /nfs/dbraw/zinc/25/18/62/654251862.db2.gz XOUOUXUDSUXRNQ-UHFFFAOYSA-N 1 2 386.945 2.158 20 0 GEADLO O=S(=O)(CC[N@@H+](CCN1CCOCC1)CC1CC1)c1ccc(Cl)cc1 ZINC000852637429 654251869 /nfs/dbraw/zinc/25/18/69/654251869.db2.gz XOUOUXUDSUXRNQ-UHFFFAOYSA-N 1 2 386.945 2.158 20 0 GEADLO CC1(C)CN(C(=O)C(F)(F)c2ccc(Br)cc2)CC[N@@H+]1CCO ZINC000832656255 654283761 /nfs/dbraw/zinc/28/37/61/654283761.db2.gz YABIFLXLAINPTC-UHFFFAOYSA-N 1 2 391.256 2.456 20 0 GEADLO CC1(C)CN(C(=O)C(F)(F)c2ccc(Br)cc2)CC[N@H+]1CCO ZINC000832656255 654283764 /nfs/dbraw/zinc/28/37/64/654283764.db2.gz YABIFLXLAINPTC-UHFFFAOYSA-N 1 2 391.256 2.456 20 0 GEADLO O=C(NCCC1SCCS1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000853233126 654287736 /nfs/dbraw/zinc/28/77/36/654287736.db2.gz NOQQLNFPFKUVFM-INIZCTEOSA-N 1 2 381.567 2.383 20 0 GEADLO O=C(NCCC1SCCS1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000853233126 654287737 /nfs/dbraw/zinc/28/77/37/654287737.db2.gz NOQQLNFPFKUVFM-INIZCTEOSA-N 1 2 381.567 2.383 20 0 GEADLO Cc1ncc(I)c(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000891434482 654293585 /nfs/dbraw/zinc/29/35/85/654293585.db2.gz MYDVXVDUZTXFNF-UHFFFAOYSA-N 1 2 381.221 2.111 20 0 GEADLO CN(Cc1ncc(Br)cn1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000921631791 654295888 /nfs/dbraw/zinc/29/58/88/654295888.db2.gz ZDJMTXZUFNNXKL-CYBMUJFWSA-N 1 2 391.273 2.054 20 0 GEADLO Brc1c[nH]c(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000891489076 654297210 /nfs/dbraw/zinc/29/72/10/654297210.db2.gz DFQIRGXSTIMKJC-UHFFFAOYSA-N 1 2 393.285 2.261 20 0 GEADLO CC(C)(O)C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000871973338 654297290 /nfs/dbraw/zinc/29/72/90/654297290.db2.gz UAUINPHOMNQSOD-CYBMUJFWSA-N 1 2 375.296 2.273 20 0 GEADLO COC(=O)NCCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804270173 654304369 /nfs/dbraw/zinc/30/43/69/654304369.db2.gz NIDVIALFQOVEQH-UHFFFAOYSA-N 1 2 399.245 2.014 20 0 GEADLO CCS(=O)(=O)c1ccccc1CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000891637025 654304514 /nfs/dbraw/zinc/30/45/14/654304514.db2.gz SMGBFRKLOXVHSR-UHFFFAOYSA-N 1 2 379.507 2.106 20 0 GEADLO CCS(=O)(=O)c1ccccc1CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000891637025 654304520 /nfs/dbraw/zinc/30/45/20/654304520.db2.gz SMGBFRKLOXVHSR-UHFFFAOYSA-N 1 2 379.507 2.106 20 0 GEADLO C[N@H+](C[C@@H]1COCCO1)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000853560761 654304569 /nfs/dbraw/zinc/30/45/69/654304569.db2.gz YFDUQAXTEJIFTE-HZPDHXFCSA-N 1 2 383.286 2.070 20 0 GEADLO C[N@@H+](C[C@@H]1COCCO1)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000853560761 654304574 /nfs/dbraw/zinc/30/45/74/654304574.db2.gz YFDUQAXTEJIFTE-HZPDHXFCSA-N 1 2 383.286 2.070 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCOc3cc(Br)ccc3C2)CCO1 ZINC000853607619 654309355 /nfs/dbraw/zinc/30/93/55/654309355.db2.gz RCUFQLZBPJALRP-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCOc3cc(Br)ccc3C2)CCO1 ZINC000853607619 654309358 /nfs/dbraw/zinc/30/93/58/654309358.db2.gz RCUFQLZBPJALRP-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000804438988 654310323 /nfs/dbraw/zinc/31/03/23/654310323.db2.gz TWDZFGFBQJVSRC-VMGRFDJRSA-N 1 2 395.297 2.074 20 0 GEADLO Cc1nc(N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c(Br)c(C)[nH+]1 ZINC000853652829 654313345 /nfs/dbraw/zinc/31/33/45/654313345.db2.gz XFLUNQWXUGNWCL-NSHDSACASA-N 1 2 389.294 2.178 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)[C@](C)(O)C3CC3)cc2Br)CC1 ZINC000804613004 654315032 /nfs/dbraw/zinc/31/50/32/654315032.db2.gz IFEYYHCTJKSTQD-QGZVFWFLSA-N 1 2 382.302 2.300 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCc2cc(Br)c(F)cc2C1 ZINC000921770085 654320559 /nfs/dbraw/zinc/32/05/59/654320559.db2.gz VJDKEUFWXBKJLA-UHFFFAOYSA-N 1 2 388.262 2.173 20 0 GEADLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C1 ZINC000872344190 654324564 /nfs/dbraw/zinc/32/45/64/654324564.db2.gz CMDFFKCUFVKWIC-DEOSSOPVSA-N 1 2 379.507 2.488 20 0 GEADLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C1 ZINC000872344190 654324570 /nfs/dbraw/zinc/32/45/70/654324570.db2.gz CMDFFKCUFVKWIC-DEOSSOPVSA-N 1 2 379.507 2.488 20 0 GEADLO O=C(OCc1ncc(C(F)(F)F)s1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000904952137 654325581 /nfs/dbraw/zinc/32/55/81/654325581.db2.gz OKGKIJGWHWAZHH-MNOVXSKESA-N 1 2 380.388 2.085 20 0 GEADLO Cn1nc2c(c1C[N@H+](C)[C@H](CO)c1cccc(Br)c1)COCC2 ZINC000892160375 654331996 /nfs/dbraw/zinc/33/19/96/654331996.db2.gz VUOGAVSVCSCGDV-QGZVFWFLSA-N 1 2 380.286 2.421 20 0 GEADLO Cn1nc2c(c1C[N@@H+](C)[C@H](CO)c1cccc(Br)c1)COCC2 ZINC000892160375 654332000 /nfs/dbraw/zinc/33/20/00/654332000.db2.gz VUOGAVSVCSCGDV-QGZVFWFLSA-N 1 2 380.286 2.421 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000892197542 654333922 /nfs/dbraw/zinc/33/39/22/654333922.db2.gz QUBSLKHJGFFZCY-UHFFFAOYSA-N 1 2 397.913 2.345 20 0 GEADLO O=C(NCC[C@H]1CCC(F)(F)C1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000892259408 654337441 /nfs/dbraw/zinc/33/74/41/654337441.db2.gz WBYJRXDXBZVPCA-GDBMZVCRSA-N 1 2 377.501 2.319 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3COC[C@H]3C)[nH+]c12 ZINC000921938461 654345207 /nfs/dbraw/zinc/34/52/07/654345207.db2.gz FVXSXALMQDBGIQ-RISCZKNCSA-N 1 2 381.274 2.282 20 0 GEADLO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872464240 654345566 /nfs/dbraw/zinc/34/55/66/654345566.db2.gz UAPXKHXGZYYDSE-VOIUYBSRSA-N 1 2 387.571 2.334 20 0 GEADLO CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872464240 654345568 /nfs/dbraw/zinc/34/55/68/654345568.db2.gz UAPXKHXGZYYDSE-VOIUYBSRSA-N 1 2 387.571 2.334 20 0 GEADLO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)cc1 ZINC000872485308 654353019 /nfs/dbraw/zinc/35/30/19/654353019.db2.gz NPNUYOKNVHYGLT-OWJWWREXSA-N 1 2 391.559 2.029 20 0 GEADLO O=C(C[C@H](O)C(Cl)(Cl)Cl)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000905396297 654355576 /nfs/dbraw/zinc/35/55/76/654355576.db2.gz RSBOMIRHOUTYSY-KBPBESRZSA-N 1 2 395.714 2.125 20 0 GEADLO O=C(C[C@H](O)C(Cl)(Cl)Cl)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000905396297 654355577 /nfs/dbraw/zinc/35/55/77/654355577.db2.gz RSBOMIRHOUTYSY-KBPBESRZSA-N 1 2 395.714 2.125 20 0 GEADLO O=C(c1cc(Br)n[nH]1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000854411736 654359399 /nfs/dbraw/zinc/35/93/99/654359399.db2.gz BSKUDXXXBSUVOP-UHFFFAOYSA-N 1 2 384.303 2.407 20 0 GEADLO Cc1ncc(I)c(N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000892961232 654372620 /nfs/dbraw/zinc/37/26/20/654372620.db2.gz BPKLJKORLUMKIH-NSHDSACASA-N 1 2 381.221 2.475 20 0 GEADLO Cc1nc([C@@H]2CC[N@H+](Cn3c4ccc(Br)cc4oc3=O)C2)no1 ZINC000905683153 654374105 /nfs/dbraw/zinc/37/41/05/654374105.db2.gz QFHBWKQNCSAMQQ-SNVBAGLBSA-N 1 2 379.214 2.495 20 0 GEADLO Cc1nc([C@@H]2CC[N@@H+](Cn3c4ccc(Br)cc4oc3=O)C2)no1 ZINC000905683153 654374111 /nfs/dbraw/zinc/37/41/11/654374111.db2.gz QFHBWKQNCSAMQQ-SNVBAGLBSA-N 1 2 379.214 2.495 20 0 GEADLO COC(=O)C[C@@H]1C[N@H+](CN2C(=O)c3ccc(Br)cc3C2=O)C[C@H]1C ZINC000905711203 654376501 /nfs/dbraw/zinc/37/65/01/654376501.db2.gz BMEFOJHASWVUSX-GHMZBOCLSA-N 1 2 395.253 2.134 20 0 GEADLO COC(=O)C[C@@H]1C[N@@H+](CN2C(=O)c3ccc(Br)cc3C2=O)C[C@H]1C ZINC000905711203 654376506 /nfs/dbraw/zinc/37/65/06/654376506.db2.gz BMEFOJHASWVUSX-GHMZBOCLSA-N 1 2 395.253 2.134 20 0 GEADLO CC(C)Cn1c(CCC(N)=O)nn(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c1=S ZINC000872722792 654392969 /nfs/dbraw/zinc/39/29/69/654392969.db2.gz UYTLCKNGSUVQEA-ZIAGYGMSSA-N 1 2 383.587 2.130 20 0 GEADLO CC(C)Cn1c(CCC(N)=O)nn(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1=S ZINC000872722792 654392974 /nfs/dbraw/zinc/39/29/74/654392974.db2.gz UYTLCKNGSUVQEA-ZIAGYGMSSA-N 1 2 383.587 2.130 20 0 GEADLO Cc1cccn2cc(CCNC(=O)NCc3ncc(Br)cn3)[nH+]c12 ZINC000893382341 654399174 /nfs/dbraw/zinc/39/91/74/654399174.db2.gz PCRVHQLCYNIJHF-UHFFFAOYSA-N 1 2 389.257 2.237 20 0 GEADLO O=C(NCC[S@](=O)CC(F)(F)F)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000855272094 654406141 /nfs/dbraw/zinc/40/61/41/654406141.db2.gz GXGZLPVXMNKESG-BZQUYTCOSA-N 1 2 376.444 2.468 20 0 GEADLO O=C(NCC[S@](=O)CC(F)(F)F)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000855272094 654406144 /nfs/dbraw/zinc/40/61/44/654406144.db2.gz GXGZLPVXMNKESG-BZQUYTCOSA-N 1 2 376.444 2.468 20 0 GEADLO CN(C)[C@@H](C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1)c1c[nH+]cn1C ZINC000855330842 654413010 /nfs/dbraw/zinc/41/30/10/654413010.db2.gz WLUJVMYYKQEOAJ-GFCCVEGCSA-N 1 2 379.877 2.172 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)[C@]1(F)CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000906081721 654415587 /nfs/dbraw/zinc/41/55/87/654415587.db2.gz PVFQQHJTRSQENW-HIFRSBDPSA-N 1 2 397.299 2.239 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cn(C(C)(C)C)nc2Br)[C@H](C)CO1 ZINC000855412059 654417467 /nfs/dbraw/zinc/41/74/67/654417467.db2.gz RUNXCPJTSYJULR-VXGBXAGGSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cn(C(C)(C)C)nc2Br)[C@H](C)CO1 ZINC000855412059 654417469 /nfs/dbraw/zinc/41/74/69/654417469.db2.gz RUNXCPJTSYJULR-VXGBXAGGSA-N 1 2 387.322 2.240 20 0 GEADLO CC(C)n1ncc(C(=O)OCc2ccc(N)[nH+]c2)c1I ZINC000922924828 654420567 /nfs/dbraw/zinc/42/05/67/654420567.db2.gz GPUZXIVRBAUHAB-UHFFFAOYSA-N 1 2 386.193 2.403 20 0 GEADLO CC(C)n1ncc(C(=O)OCc2ccc[nH+]c2N)c1I ZINC000922925202 654420449 /nfs/dbraw/zinc/42/04/49/654420449.db2.gz HLIONAYEXYEZPA-UHFFFAOYSA-N 1 2 386.193 2.403 20 0 GEADLO O=C(Nc1ncc(Br)s1)c1cccn1CC[NH+]1CCOCC1 ZINC000906360214 654430995 /nfs/dbraw/zinc/43/09/95/654430995.db2.gz RYZWCLJPGYOWLG-UHFFFAOYSA-N 1 2 385.287 2.292 20 0 GEADLO CN1CC[NH+](Cc2cccc(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)c2)CC1 ZINC000906402229 654434672 /nfs/dbraw/zinc/43/46/72/654434672.db2.gz VYDRAHKGSHOUBH-AWEZNQCLSA-N 1 2 394.730 2.494 20 0 GEADLO O=C(c1nscc1I)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000906468253 654441766 /nfs/dbraw/zinc/44/17/66/654441766.db2.gz HWENTTWFFYIONV-UHFFFAOYSA-N 1 2 388.234 2.491 20 0 GEADLO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ncc(Br)cc3O)C2)n(C)n1 ZINC000894058678 654443177 /nfs/dbraw/zinc/44/31/77/654443177.db2.gz QAXNOBFYXQNXGA-CYBMUJFWSA-N 1 2 380.290 2.350 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cnc3ccccc3c2Br)CC1 ZINC000873674796 654446964 /nfs/dbraw/zinc/44/69/64/654446964.db2.gz PUWMYJJPVJLZPR-UHFFFAOYSA-N 1 2 391.269 2.100 20 0 GEADLO Cn1cc(C[NH2+]Cc2ccc3c(c2)OCCO3)c(I)n1 ZINC000894148068 654450174 /nfs/dbraw/zinc/45/01/74/654450174.db2.gz RRZHYVDZVVXZEM-UHFFFAOYSA-N 1 2 385.205 2.086 20 0 GEADLO CC1CCN(c2ccc(C[NH2+]Cc3nc(Br)nn3C)cn2)CC1 ZINC000894188019 654453895 /nfs/dbraw/zinc/45/38/95/654453895.db2.gz YYARYNLIMWAAGT-UHFFFAOYSA-N 1 2 379.306 2.499 20 0 GEADLO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1c(I)cnn1C ZINC000894256763 654459902 /nfs/dbraw/zinc/45/99/02/654459902.db2.gz FVKMYZILERTDDP-GFCCVEGCSA-N 1 2 383.237 2.290 20 0 GEADLO COc1ccccc1[C@H](CO)[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894261260 654460610 /nfs/dbraw/zinc/46/06/10/654460610.db2.gz QFWBFDHMFZONGK-ZDUSSCGKSA-N 1 2 383.901 2.465 20 0 GEADLO Cc1ccc(N2CCC[C@@H]([NH2+]Cc3nc(Br)nn3C)C2=O)cc1 ZINC000894298894 654463273 /nfs/dbraw/zinc/46/32/73/654463273.db2.gz NDJCIJFWXNBOCO-CYBMUJFWSA-N 1 2 378.274 2.171 20 0 GEADLO Cc1ccc(C[NH2+]Cc2nc(Br)nn2C)c(N2CCOCC2)c1 ZINC000894339311 654466678 /nfs/dbraw/zinc/46/66/78/654466678.db2.gz BIVOKXKBARAKGI-UHFFFAOYSA-N 1 2 380.290 2.012 20 0 GEADLO C[C@@H](CNC(=O)c1nscc1I)Cn1cc[nH+]c1 ZINC000906766600 654470073 /nfs/dbraw/zinc/47/00/73/654470073.db2.gz PJBLYQWVCWGCQG-QMMMGPOBSA-N 1 2 376.223 2.010 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cc(C2CC2)nn1C)[N@@H+]1CCc2sccc2C1 ZINC000906832398 654477278 /nfs/dbraw/zinc/47/72/78/654477278.db2.gz KRDNQVDRVGFWQB-LBPRGKRZSA-N 1 2 380.539 2.084 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cc(C2CC2)nn1C)[N@H+]1CCc2sccc2C1 ZINC000906832398 654477285 /nfs/dbraw/zinc/47/72/85/654477285.db2.gz KRDNQVDRVGFWQB-LBPRGKRZSA-N 1 2 380.539 2.084 20 0 GEADLO O=C(C[NH+]1CCC(NC(=O)C2(Br)CC2)CC1)Nc1ccccc1 ZINC000873891245 654478099 /nfs/dbraw/zinc/47/80/99/654478099.db2.gz HZCSTITULUOIMI-UHFFFAOYSA-N 1 2 380.286 2.133 20 0 GEADLO Brc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)nn1 ZINC000894491321 654480800 /nfs/dbraw/zinc/48/08/00/654480800.db2.gz GCFIQNLWFTZBAE-CABCVRRESA-N 1 2 375.270 2.329 20 0 GEADLO Brc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)nn1 ZINC000894491321 654480805 /nfs/dbraw/zinc/48/08/05/654480805.db2.gz GCFIQNLWFTZBAE-CABCVRRESA-N 1 2 375.270 2.329 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3ccc(Br)cn3)C2)n1 ZINC000856595865 654485344 /nfs/dbraw/zinc/48/53/44/654485344.db2.gz LTNRNPYZGOKUGD-MRXNPFEDSA-N 1 2 381.274 2.359 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3ccc(Br)cn3)C2)n1 ZINC000856595865 654485347 /nfs/dbraw/zinc/48/53/47/654485347.db2.gz LTNRNPYZGOKUGD-MRXNPFEDSA-N 1 2 381.274 2.359 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3ccnc(Br)c3)C2)n1 ZINC000856678338 654485692 /nfs/dbraw/zinc/48/56/92/654485692.db2.gz VKRFZEUYEKEXJN-MRXNPFEDSA-N 1 2 381.274 2.359 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3ccnc(Br)c3)C2)n1 ZINC000856678338 654485693 /nfs/dbraw/zinc/48/56/93/654485693.db2.gz VKRFZEUYEKEXJN-MRXNPFEDSA-N 1 2 381.274 2.359 20 0 GEADLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2nc(Br)nn2C)cc1 ZINC000894693888 654494791 /nfs/dbraw/zinc/49/47/91/654494791.db2.gz AMCITBQQHLPUFN-SNVBAGLBSA-N 1 2 387.303 2.222 20 0 GEADLO Cn1cc([C@@H]2C[N@H+](Cc3nc(Br)c[nH]3)CC23CCOCC3)cn1 ZINC000894708190 654495141 /nfs/dbraw/zinc/49/51/41/654495141.db2.gz UTBRGRDAWAZKDA-ZDUSSCGKSA-N 1 2 380.290 2.302 20 0 GEADLO Cn1cc([C@@H]2C[N@@H+](Cc3nc(Br)c[nH]3)CC23CCOCC3)cn1 ZINC000894708190 654495146 /nfs/dbraw/zinc/49/51/46/654495146.db2.gz UTBRGRDAWAZKDA-ZDUSSCGKSA-N 1 2 380.290 2.302 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)c2cc3ccc(Br)cc3c(=O)o2)CCO1 ZINC000924376887 654511634 /nfs/dbraw/zinc/51/16/34/654511634.db2.gz LGHKHBQTLOWKKJ-LLVKDONJSA-N 1 2 396.237 2.433 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)c2cc3ccc(Br)cc3c(=O)o2)CCO1 ZINC000924376887 654511638 /nfs/dbraw/zinc/51/16/38/654511638.db2.gz LGHKHBQTLOWKKJ-LLVKDONJSA-N 1 2 396.237 2.433 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)c2cc3ccc(Br)cc3c(=O)o2)CCO1 ZINC000924376977 654511645 /nfs/dbraw/zinc/51/16/45/654511645.db2.gz LGHKHBQTLOWKKJ-NSHDSACASA-N 1 2 396.237 2.433 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)c2cc3ccc(Br)cc3c(=O)o2)CCO1 ZINC000924376977 654511647 /nfs/dbraw/zinc/51/16/47/654511647.db2.gz LGHKHBQTLOWKKJ-NSHDSACASA-N 1 2 396.237 2.433 20 0 GEADLO C[C@H]1CN(C(=O)NCc2nc(C[NH+](C)C)cs2)C[C@H](CC(F)(F)F)O1 ZINC000924785609 654524839 /nfs/dbraw/zinc/52/48/39/654524839.db2.gz ONMUKNSNYFIUAB-JQWIXIFHSA-N 1 2 380.436 2.456 20 0 GEADLO Cc1nc(N2CCN(C(=O)c3nn(C(C)C)cc3Br)CC2)cc[nH+]1 ZINC000907373577 654537568 /nfs/dbraw/zinc/53/75/68/654537568.db2.gz OFPVZGNWQXLUQH-UHFFFAOYSA-N 1 2 393.289 2.287 20 0 GEADLO Cc1cc(N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2=O)ccc1Br ZINC000907405696 654539774 /nfs/dbraw/zinc/53/97/74/654539774.db2.gz FZMPVGAFSDRWKY-OAHLLOKOSA-N 1 2 391.269 2.335 20 0 GEADLO COc1cc(Br)ccc1CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907518291 654552496 /nfs/dbraw/zinc/55/24/96/654552496.db2.gz DYLIXZHXKMKSQX-UKTHLTGXSA-N 1 2 383.286 2.352 20 0 GEADLO COc1cc(Br)cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000926289692 654566690 /nfs/dbraw/zinc/56/66/90/654566690.db2.gz CNSMTBRVHSUXOR-HOTGVXAUSA-N 1 2 398.301 2.072 20 0 GEADLO COc1cc(Br)cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000926289692 654566692 /nfs/dbraw/zinc/56/66/92/654566692.db2.gz CNSMTBRVHSUXOR-HOTGVXAUSA-N 1 2 398.301 2.072 20 0 GEADLO C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1cn(C)cn1 ZINC000926377575 654569819 /nfs/dbraw/zinc/56/98/19/654569819.db2.gz JQWBZDPFNSZQAV-JTQLQIEISA-N 1 2 384.221 2.314 20 0 GEADLO CN(C)[C@@H](CCNC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(F)(F)F ZINC000926807889 654582399 /nfs/dbraw/zinc/58/23/99/654582399.db2.gz GWDBNHFVBNQVOS-AWEZNQCLSA-N 1 2 378.464 2.458 20 0 GEADLO CS(=O)(=O)C1CCC(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000927363137 654599946 /nfs/dbraw/zinc/59/99/46/654599946.db2.gz QMCMSVYOYISTCM-WXRRBKDZSA-N 1 2 381.420 2.096 20 0 GEADLO C[C@@]12CCN(C(=O)c3cccn3CC[NH+]3CCOCC3)C[C@@H]1C2(Cl)Cl ZINC000908073290 654602327 /nfs/dbraw/zinc/60/23/27/654602327.db2.gz URMDQGIDOIMYEJ-DOTOQJQBSA-N 1 2 386.323 2.476 20 0 GEADLO O=C([C@H]1[C@@H]2CCC(=O)[C@@H]21)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000908126597 654606531 /nfs/dbraw/zinc/60/65/31/654606531.db2.gz XZKGCLWEBKGDMA-WQVCFCJDSA-N 1 2 392.253 2.493 20 0 GEADLO CCOC(=O)c1cnc(C(=O)NCc2nc(C[NH+](C)C)cs2)c(Cl)c1 ZINC000927766331 654613047 /nfs/dbraw/zinc/61/30/47/654613047.db2.gz OGFBFHABRYWSND-UHFFFAOYSA-N 1 2 382.873 2.360 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)CNC(=O)c2c(F)cccc2Cl)n1 ZINC000927768020 654613062 /nfs/dbraw/zinc/61/30/62/654613062.db2.gz HFEPSGKJNHKIPB-UHFFFAOYSA-N 1 2 384.864 2.043 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2ccc(S(=O)(=O)C3CC3)cc2)n1 ZINC000927764733 654613070 /nfs/dbraw/zinc/61/30/70/654613070.db2.gz HZEMGOVFMUBAHB-UHFFFAOYSA-N 1 2 379.507 2.071 20 0 GEADLO CCc1ccc(C(=O)NCc2nc(C[NH+](C)C)cs2)cc1S(C)(=O)=O ZINC000927768371 654613109 /nfs/dbraw/zinc/61/31/09/654613109.db2.gz JOLBCFRUAGKFQU-UHFFFAOYSA-N 1 2 381.523 2.101 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)CN2C(=S)N=NC2c2cccs2)n1 ZINC000927773805 654613320 /nfs/dbraw/zinc/61/33/20/654613320.db2.gz QZRVVDUJSRZNPF-UHFFFAOYSA-N 1 2 394.551 2.130 20 0 GEADLO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927769584 654613413 /nfs/dbraw/zinc/61/34/13/654613413.db2.gz KHOXIZQENADOMW-ZDWRTJATSA-N 1 2 382.555 2.079 20 0 GEADLO NC(=O)CC1CC(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000928051465 654627918 /nfs/dbraw/zinc/62/79/18/654627918.db2.gz SUGQNQQMYBFMBS-MWHAMWOXSA-N 1 2 394.313 2.356 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)CNc2cccc[nH+]2)c1 ZINC000908698243 654637908 /nfs/dbraw/zinc/63/79/08/654637908.db2.gz HOAYRILKYFKICA-OAHLLOKOSA-N 1 2 394.269 2.457 20 0 GEADLO O=C(Cc1c[nH]c2ccc(Br)cc12)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909024787 654650423 /nfs/dbraw/zinc/65/04/23/654650423.db2.gz JWOAIIBXZIIATM-GASCZTMLSA-N 1 2 392.297 2.452 20 0 GEADLO O=C(Cc1c[nH]c2ccc(Br)cc12)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909024787 654650426 /nfs/dbraw/zinc/65/04/26/654650426.db2.gz JWOAIIBXZIIATM-GASCZTMLSA-N 1 2 392.297 2.452 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)CC1(Br)Br ZINC000928647339 654653951 /nfs/dbraw/zinc/65/39/51/654653951.db2.gz GOHDXZLDPIGPHG-JQWIXIFHSA-N 1 2 398.139 2.110 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000909705030 654672509 /nfs/dbraw/zinc/67/25/09/654672509.db2.gz SAZDWYNSZSFVGL-AAEUAGOBSA-N 1 2 397.269 2.139 20 0 GEADLO Cc1cc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cnc1Br ZINC000929291249 654678022 /nfs/dbraw/zinc/67/80/22/654678022.db2.gz CZJHVFKEKSFDET-AWEZNQCLSA-N 1 2 390.347 2.446 20 0 GEADLO Cc1cc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cnc1Br ZINC000929291249 654678023 /nfs/dbraw/zinc/67/80/23/654678023.db2.gz CZJHVFKEKSFDET-AWEZNQCLSA-N 1 2 390.347 2.446 20 0 GEADLO Cc1cc([C@H](C)NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)c(C)s1 ZINC000929415731 654683204 /nfs/dbraw/zinc/68/32/04/654683204.db2.gz XPLHUPGTRXCIOG-NSHDSACASA-N 1 2 380.539 2.377 20 0 GEADLO CS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000929474483 654685079 /nfs/dbraw/zinc/68/50/79/654685079.db2.gz WLIISBIXLWBKNL-AWEZNQCLSA-N 1 2 379.507 2.114 20 0 GEADLO C[N@H+](Cc1ccc(Br)nc1N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000929628303 654689097 /nfs/dbraw/zinc/68/90/97/654689097.db2.gz DAOOEXVDCVCYRI-SECBINFHSA-N 1 2 381.196 2.021 20 0 GEADLO C[N@@H+](Cc1ccc(Br)nc1N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000929628303 654689099 /nfs/dbraw/zinc/68/90/99/654689099.db2.gz DAOOEXVDCVCYRI-SECBINFHSA-N 1 2 381.196 2.021 20 0 GEADLO C/C(=C\C(=O)N(C)C[C@@H](O)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000910424986 654699755 /nfs/dbraw/zinc/69/97/55/654699755.db2.gz SYMYMCIWHLLRKW-IDKBZEPQSA-N 1 2 397.313 2.219 20 0 GEADLO Cn1ncc(I)c1CN1CCC(Nc2cccc[nH+]2)CC1 ZINC000930129539 654700022 /nfs/dbraw/zinc/70/00/22/654700022.db2.gz RIGIDGXRZCSKPJ-UHFFFAOYSA-N 1 2 397.264 2.496 20 0 GEADLO CO[C@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000910450071 654700417 /nfs/dbraw/zinc/70/04/17/654700417.db2.gz PALJWLZDMOBEEZ-ZDUSSCGKSA-N 1 2 391.331 2.425 20 0 GEADLO Cn1nc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)cc1C(F)(F)F ZINC000930902192 654723361 /nfs/dbraw/zinc/72/33/61/654723361.db2.gz RRKXTJHHUWOJDN-CQSZACIVSA-N 1 2 378.464 2.079 20 0 GEADLO Cn1nc(C[N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)cc1C(F)(F)F ZINC000930902192 654723364 /nfs/dbraw/zinc/72/33/64/654723364.db2.gz RRKXTJHHUWOJDN-CQSZACIVSA-N 1 2 378.464 2.079 20 0 GEADLO O=C(N1CC[NH+](CCCF)CC1)C(F)(F)c1ncccc1Br ZINC000911587346 654727126 /nfs/dbraw/zinc/72/71/26/654727126.db2.gz CQNFWZVQVKILKK-UHFFFAOYSA-N 1 2 380.208 2.440 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1cc(Br)cc(C=O)c1 ZINC000911841188 654733795 /nfs/dbraw/zinc/73/37/95/654733795.db2.gz ABXJAMALVMSNCB-JKSUJKDBSA-N 1 2 395.297 2.491 20 0 GEADLO O=C(c1cc(Br)cn2ncnc12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000931222406 654734436 /nfs/dbraw/zinc/73/44/36/654734436.db2.gz LMBJXQFDSTWTBR-UHFFFAOYSA-N 1 2 375.230 2.235 20 0 GEADLO CSc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3cncs3)CC2)cc1 ZINC000931357574 654739156 /nfs/dbraw/zinc/73/91/56/654739156.db2.gz CAGLAFDITPVZKJ-OAHLLOKOSA-N 1 2 379.551 2.423 20 0 GEADLO COc1ccc(COC[C@H](O)C[N@H+](C)Cc2ncc(Br)cn2)cc1 ZINC000931868958 654759708 /nfs/dbraw/zinc/75/97/08/654759708.db2.gz CNSDCAFARYPQLB-OAHLLOKOSA-N 1 2 396.285 2.257 20 0 GEADLO COc1ccc(COC[C@H](O)C[N@@H+](C)Cc2ncc(Br)cn2)cc1 ZINC000931868958 654759713 /nfs/dbraw/zinc/75/97/13/654759713.db2.gz CNSDCAFARYPQLB-OAHLLOKOSA-N 1 2 396.285 2.257 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931910080 654761266 /nfs/dbraw/zinc/76/12/66/654761266.db2.gz BOTZAKYDZCVULD-CYBMUJFWSA-N 1 2 389.411 2.109 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931910080 654761270 /nfs/dbraw/zinc/76/12/70/654761270.db2.gz BOTZAKYDZCVULD-CYBMUJFWSA-N 1 2 389.411 2.109 20 0 GEADLO CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931915557 654761721 /nfs/dbraw/zinc/76/17/21/654761721.db2.gz HYOZSFYDGPRNCW-KGLIPLIRSA-N 1 2 381.391 2.490 20 0 GEADLO CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931915557 654761722 /nfs/dbraw/zinc/76/17/22/654761722.db2.gz HYOZSFYDGPRNCW-KGLIPLIRSA-N 1 2 381.391 2.490 20 0 GEADLO CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931915560 654761908 /nfs/dbraw/zinc/76/19/08/654761908.db2.gz HYOZSFYDGPRNCW-UONOGXRCSA-N 1 2 381.391 2.490 20 0 GEADLO CS(=O)(=O)c1ccc([C@@H](O)C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931915560 654761909 /nfs/dbraw/zinc/76/19/09/654761909.db2.gz HYOZSFYDGPRNCW-UONOGXRCSA-N 1 2 381.391 2.490 20 0 GEADLO C[C@]1([C@@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932020780 654764481 /nfs/dbraw/zinc/76/44/81/654764481.db2.gz LFFWLROOOODYOE-SUYBPPKGSA-N 1 2 396.285 2.186 20 0 GEADLO C[C@]1([C@@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932020780 654764484 /nfs/dbraw/zinc/76/44/84/654764484.db2.gz LFFWLROOOODYOE-SUYBPPKGSA-N 1 2 396.285 2.186 20 0 GEADLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)nn1-c1ccc(Cl)c(Cl)c1 ZINC000912740004 654765802 /nfs/dbraw/zinc/76/58/02/654765802.db2.gz MJYMHYYCPLTIGM-CYBMUJFWSA-N 1 2 383.279 2.236 20 0 GEADLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)nn1-c1ccc(Cl)c(Cl)c1 ZINC000912740004 654765805 /nfs/dbraw/zinc/76/58/05/654765805.db2.gz MJYMHYYCPLTIGM-CYBMUJFWSA-N 1 2 383.279 2.236 20 0 GEADLO Cn1ccc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000932136038 654767827 /nfs/dbraw/zinc/76/78/27/654767827.db2.gz HDWUCPFVOKTPJN-GFCCVEGCSA-N 1 2 378.274 2.396 20 0 GEADLO Cn1ccc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000932136038 654767832 /nfs/dbraw/zinc/76/78/32/654767832.db2.gz HDWUCPFVOKTPJN-GFCCVEGCSA-N 1 2 378.274 2.396 20 0 GEADLO Cc1cc(NC(=O)NCc2nc(C[NH+](C)C)cs2)cc(S(C)(=O)=O)c1 ZINC000932225166 654771511 /nfs/dbraw/zinc/77/15/11/654771511.db2.gz XOUPXCMTYMYHON-UHFFFAOYSA-N 1 2 382.511 2.238 20 0 GEADLO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(COC)o1 ZINC000932326604 654775484 /nfs/dbraw/zinc/77/54/84/654775484.db2.gz RXUTUSQGKKGAIM-ZBFHGGJFSA-N 1 2 377.374 2.384 20 0 GEADLO CCOP(=O)(OCC)[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(COC)o1 ZINC000932326604 654775486 /nfs/dbraw/zinc/77/54/86/654775486.db2.gz RXUTUSQGKKGAIM-ZBFHGGJFSA-N 1 2 377.374 2.384 20 0 GEADLO C/C(=C/C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)C[NH+]1CCOCC1 ZINC000913423487 654791000 /nfs/dbraw/zinc/79/10/00/654791000.db2.gz IYLYZDGEEZUOKH-VURMDHGXSA-N 1 2 386.346 2.409 20 0 GEADLO O[C@]1(c2ccc(Br)cc2)CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000932808992 654791143 /nfs/dbraw/zinc/79/11/43/654791143.db2.gz JNGYWRKZBGFSRC-MRXNPFEDSA-N 1 2 378.274 2.254 20 0 GEADLO O[C@]1(c2ccc(Br)cc2)CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000932808992 654791148 /nfs/dbraw/zinc/79/11/48/654791148.db2.gz JNGYWRKZBGFSRC-MRXNPFEDSA-N 1 2 378.274 2.254 20 0 GEADLO O=C(Cc1c(F)ccc(Br)c1F)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913453270 654792778 /nfs/dbraw/zinc/79/27/78/654792778.db2.gz PLYIHTWSYNQPKQ-CYBMUJFWSA-N 1 2 385.212 2.166 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)CCc3ccccc3Br)CC[NH2+]2)cn1 ZINC000913469075 654794284 /nfs/dbraw/zinc/79/42/84/654794284.db2.gz RPEVNELMPGYUAV-MRXNPFEDSA-N 1 2 377.286 2.288 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913465677 654794336 /nfs/dbraw/zinc/79/43/36/654794336.db2.gz AIXLTYTVIBAJCV-LLVKDONJSA-N 1 2 399.314 2.348 20 0 GEADLO Cc1nc(CSc2ccccc2C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cs1 ZINC000913553536 654797650 /nfs/dbraw/zinc/79/76/50/654797650.db2.gz JNHZGWHQPKAZFQ-HNNXBMFYSA-N 1 2 377.535 2.492 20 0 GEADLO Cc1nc(CSc2ccccc2C(=O)N2CC[N@H+](C)[C@H](CO)C2)cs1 ZINC000913553536 654797653 /nfs/dbraw/zinc/79/76/53/654797653.db2.gz JNHZGWHQPKAZFQ-HNNXBMFYSA-N 1 2 377.535 2.492 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](CO)Cc3cncs3)cn2c1 ZINC000913698580 654805086 /nfs/dbraw/zinc/80/50/86/654805086.db2.gz GCPYAUHYULBSHV-CYBMUJFWSA-N 1 2 376.507 2.052 20 0 GEADLO CCn1cnc2c1CC[N@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000933262858 654805879 /nfs/dbraw/zinc/80/58/79/654805879.db2.gz PNPSZQJNVMSDAU-UHFFFAOYSA-N 1 2 388.269 2.232 20 0 GEADLO CCn1cnc2c1CC[N@@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000933262858 654805882 /nfs/dbraw/zinc/80/58/82/654805882.db2.gz PNPSZQJNVMSDAU-UHFFFAOYSA-N 1 2 388.269 2.232 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1c(F)ccc(Br)c1F ZINC000933291891 654806644 /nfs/dbraw/zinc/80/66/44/654806644.db2.gz WGKZBQMCGFPYDY-SNVBAGLBSA-N 1 2 391.260 2.485 20 0 GEADLO Cc1cc(C)c(C(=O)NCc2c(I)cnn2C)c(C)[nH+]1 ZINC000913781951 654809055 /nfs/dbraw/zinc/80/90/55/654809055.db2.gz GFKWRNFBXOPHTA-UHFFFAOYSA-N 1 2 384.221 2.275 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+]C1(c2ncccn2)CCOCC1 ZINC000933343393 654809404 /nfs/dbraw/zinc/80/94/04/654809404.db2.gz RIAMLTJKWLSADI-UHFFFAOYSA-N 1 2 380.901 2.445 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](OC)c1ccc(Br)s1 ZINC000913808883 654810171 /nfs/dbraw/zinc/81/01/71/654810171.db2.gz IZTCLBKLYKMSMN-RISCZKNCSA-N 1 2 391.331 2.425 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](OC)c1ccc(Br)s1 ZINC000913808883 654810172 /nfs/dbraw/zinc/81/01/72/654810172.db2.gz IZTCLBKLYKMSMN-RISCZKNCSA-N 1 2 391.331 2.425 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)Cc1cccc(F)c1Br ZINC000913926443 654816557 /nfs/dbraw/zinc/81/65/57/654816557.db2.gz COJAHPRMLVLXTG-SNVBAGLBSA-N 1 2 376.251 2.293 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700961 654820779 /nfs/dbraw/zinc/82/07/79/654820779.db2.gz UZIWODBXXSZACJ-MXWKQRLJSA-N 1 2 394.324 2.177 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700961 654820783 /nfs/dbraw/zinc/82/07/83/654820783.db2.gz UZIWODBXXSZACJ-MXWKQRLJSA-N 1 2 394.324 2.177 20 0 GEADLO O=C(Nc1ccc(F)c(Br)c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000933794676 654827375 /nfs/dbraw/zinc/82/73/75/654827375.db2.gz QLFSWJOEIOESTK-DOMZBBRYSA-N 1 2 387.249 2.407 20 0 GEADLO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914184642 654833537 /nfs/dbraw/zinc/83/35/37/654833537.db2.gz HSESRVQQPXVBJD-MCFWBGNESA-N 1 2 399.460 2.304 20 0 GEADLO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914184642 654833540 /nfs/dbraw/zinc/83/35/40/654833540.db2.gz HSESRVQQPXVBJD-MCFWBGNESA-N 1 2 399.460 2.304 20 0 GEADLO Cc1cccn2cc(CCNC(=O)C3(n4cc(Br)cn4)CC3)[nH+]c12 ZINC000933994186 654833706 /nfs/dbraw/zinc/83/37/06/654833706.db2.gz LTYBIJBENZDQOT-UHFFFAOYSA-N 1 2 388.269 2.450 20 0 GEADLO C[C@@H]1C[C@H](NS(=O)(=O)c2c(O)cccc2OC(F)(F)F)C[N@@H+]1C1CC1 ZINC000914237285 654837689 /nfs/dbraw/zinc/83/76/89/654837689.db2.gz RWINTJJCHISDOR-ZJUUUORDSA-N 1 2 380.388 2.194 20 0 GEADLO C[C@@H]1C[C@H](NS(=O)(=O)c2c(O)cccc2OC(F)(F)F)C[N@H+]1C1CC1 ZINC000914237285 654837691 /nfs/dbraw/zinc/83/76/91/654837691.db2.gz RWINTJJCHISDOR-ZJUUUORDSA-N 1 2 380.388 2.194 20 0 GEADLO FC(F)(F)c1nc(Br)c2n1CC[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC000934325119 654844308 /nfs/dbraw/zinc/84/43/08/654844308.db2.gz MZGUAGSWLHSMHU-MRVPVSSYSA-N 1 2 391.195 2.259 20 0 GEADLO FC(F)(F)c1nc(Br)c2n1CC[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC000934325119 654844312 /nfs/dbraw/zinc/84/43/12/654844312.db2.gz MZGUAGSWLHSMHU-MRVPVSSYSA-N 1 2 391.195 2.259 20 0 GEADLO C[N@H+]1CC=C(CNS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)CC1 ZINC000914333244 654846246 /nfs/dbraw/zinc/84/62/46/654846246.db2.gz UMMLWHDIIOTOCA-XMMPIXPASA-N 1 2 397.444 2.130 20 0 GEADLO C[N@@H+]1CC=C(CNS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)CC1 ZINC000914333244 654846249 /nfs/dbraw/zinc/84/62/49/654846249.db2.gz UMMLWHDIIOTOCA-XMMPIXPASA-N 1 2 397.444 2.130 20 0 GEADLO O=S(=O)(Cc1cccc(F)c1Br)N[C@H]1CCn2cc[nH+]c2C1 ZINC000914398063 654850873 /nfs/dbraw/zinc/85/08/73/654850873.db2.gz WQYCAUIXZJAOGD-NSHDSACASA-N 1 2 388.262 2.219 20 0 GEADLO C[C@@](CO)([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cccc(Br)c1 ZINC000934494578 654850915 /nfs/dbraw/zinc/85/09/15/654850915.db2.gz RBSVZJCSGHXGGB-KRWDZBQOSA-N 1 2 394.269 2.015 20 0 GEADLO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934578552 654853665 /nfs/dbraw/zinc/85/36/65/654853665.db2.gz FLEFRNAPLMNAFT-WCFLWFBJSA-N 1 2 382.657 2.247 20 0 GEADLO O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934578552 654853666 /nfs/dbraw/zinc/85/36/66/654853666.db2.gz FLEFRNAPLMNAFT-WCFLWFBJSA-N 1 2 382.657 2.247 20 0 GEADLO COC(=O)/C(C)=C/C[NH2+][C@H](CO)c1ccccc1I ZINC000934828324 654862260 /nfs/dbraw/zinc/86/22/60/654862260.db2.gz LPESTYFSLHSZPJ-UTSBKAFOSA-N 1 2 375.206 2.034 20 0 GEADLO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1I ZINC000934829749 654863148 /nfs/dbraw/zinc/86/31/48/654863148.db2.gz SPRRVUFVGIXPRJ-RISCZKNCSA-N 1 2 390.265 2.170 20 0 GEADLO C[C@@](O)(C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(Br)c1 ZINC000935485776 654896424 /nfs/dbraw/zinc/89/64/24/654896424.db2.gz DPQWCFMHSJUIAK-ZBEGNZNMSA-N 1 2 382.233 2.123 20 0 GEADLO CCOc1ccc(Br)c(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1F ZINC000935499133 654897235 /nfs/dbraw/zinc/89/72/35/654897235.db2.gz LIAFUMGWQOBVDN-NSHDSACASA-N 1 2 389.265 2.126 20 0 GEADLO CCOc1ccc(Br)c(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1F ZINC000935499133 654897236 /nfs/dbraw/zinc/89/72/36/654897236.db2.gz LIAFUMGWQOBVDN-NSHDSACASA-N 1 2 389.265 2.126 20 0 GEADLO O=C(c1cc(Br)cn2ncnc12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000935714311 654912039 /nfs/dbraw/zinc/91/20/39/654912039.db2.gz GAIIJTRHZPSQLU-CYBMUJFWSA-N 1 2 388.225 2.180 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4cccc(F)c4n3)CC2)C1=O ZINC001164638983 719277749 /nfs/dbraw/zinc/27/77/49/719277749.db2.gz GHBJFBQMFICMOZ-UHFFFAOYSA-N 1 2 386.471 2.133 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4cccc(F)c4n3)CC2)C1=O ZINC001164638983 719277750 /nfs/dbraw/zinc/27/77/50/719277750.db2.gz GHBJFBQMFICMOZ-UHFFFAOYSA-N 1 2 386.471 2.133 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(C2CC2)n1 ZINC001164698094 719842719 /nfs/dbraw/zinc/84/27/19/719842719.db2.gz FHJUQOZENQVIJF-AUUYWEPGSA-N 1 2 394.903 2.240 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(OC(C)(C)C)n1 ZINC001164700503 719858146 /nfs/dbraw/zinc/85/81/46/719858146.db2.gz HPNQFQLGSCKQQM-IIBYNOLFSA-N 1 2 391.512 2.492 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(OC)cc2n1 ZINC001164701909 719859278 /nfs/dbraw/zinc/85/92/78/719859278.db2.gz LZOZBCNDPWRNPS-VGOFRKELSA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccoc21 ZINC001164697809 719861442 /nfs/dbraw/zinc/86/14/42/719861442.db2.gz AXXQTSJJVIPYAB-SGTLLEGYSA-N 1 2 394.859 2.109 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(CSC)ccn1 ZINC001164703835 719875767 /nfs/dbraw/zinc/87/57/67/719875767.db2.gz KVSNWZFCNUXUPC-APWZRJJASA-N 1 2 379.526 2.177 20 0 GEADLO CCSc1ccnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164707799 719876007 /nfs/dbraw/zinc/87/60/07/719876007.db2.gz VNKQUPJAFCXDTG-BEFAXECRSA-N 1 2 379.526 2.426 20 0 GEADLO Cc1nc(Cl)cc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)n1 ZINC001164827583 720396598 /nfs/dbraw/zinc/39/65/98/720396598.db2.gz GDTOJWHNTDJLAC-UHFFFAOYSA-N 1 2 394.817 2.230 20 0 GEADLO COC(=O)c1cc(Cl)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1 ZINC001165008878 721695130 /nfs/dbraw/zinc/69/51/30/721695130.db2.gz LIRBPDVTJRWVMP-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO COC(=O)c1cc(Cl)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1 ZINC001165008878 721695137 /nfs/dbraw/zinc/69/51/37/721695137.db2.gz LIRBPDVTJRWVMP-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO COc1nc2ccccc2nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165011258 721699042 /nfs/dbraw/zinc/69/90/42/721699042.db2.gz PIKRWRVNQQJNGL-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO COc1nc2ccccc2nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165011258 721699048 /nfs/dbraw/zinc/69/90/48/721699048.db2.gz PIKRWRVNQQJNGL-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO COC(=O)c1c(C)cc(C)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010432 721702652 /nfs/dbraw/zinc/70/26/52/721702652.db2.gz ILGQVHZBMBWMFK-UHFFFAOYSA-N 1 2 386.500 2.327 20 0 GEADLO COC(=O)c1c(C)cc(C)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010432 721702654 /nfs/dbraw/zinc/70/26/54/721702654.db2.gz ILGQVHZBMBWMFK-UHFFFAOYSA-N 1 2 386.500 2.327 20 0 GEADLO CCOC(=O)c1cc(C)cnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010414 721704649 /nfs/dbraw/zinc/70/46/49/721704649.db2.gz IFCOWXUZOGURNG-UHFFFAOYSA-N 1 2 386.500 2.409 20 0 GEADLO CCOC(=O)c1cc(C)cnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010414 721704651 /nfs/dbraw/zinc/70/46/51/721704651.db2.gz IFCOWXUZOGURNG-UHFFFAOYSA-N 1 2 386.500 2.409 20 0 GEADLO CCOC(=O)/C=C/c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165008517 721708118 /nfs/dbraw/zinc/70/81/18/721708118.db2.gz GBLWKZGSZHQUNO-CSKARUKUSA-N 1 2 398.511 2.500 20 0 GEADLO CCOC(=O)/C=C/c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165008517 721708121 /nfs/dbraw/zinc/70/81/21/721708121.db2.gz GBLWKZGSZHQUNO-CSKARUKUSA-N 1 2 398.511 2.500 20 0 GEADLO Fc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164912358 721777610 /nfs/dbraw/zinc/77/76/10/721777610.db2.gz KXUJYWIEPRUAJT-IBGZPJMESA-N 1 2 392.862 2.377 20 0 GEADLO Fc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164912358 721777614 /nfs/dbraw/zinc/77/76/14/721777614.db2.gz KXUJYWIEPRUAJT-IBGZPJMESA-N 1 2 392.862 2.377 20 0 GEADLO COC(=O)c1cc(Cl)cnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917539 721812675 /nfs/dbraw/zinc/81/26/75/721812675.db2.gz MXJGEQSDNGLPAN-UHFFFAOYSA-N 1 2 389.887 2.468 20 0 GEADLO CSc1nc(Cl)nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164916207 721814062 /nfs/dbraw/zinc/81/40/62/721814062.db2.gz BBAZFPYGZWWMSP-UHFFFAOYSA-N 1 2 379.921 2.193 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)cc(N(C)C)n2)CC1 ZINC001164916606 721816200 /nfs/dbraw/zinc/81/62/00/721816200.db2.gz FJVMFKXMLLPJNR-UHFFFAOYSA-N 1 2 375.908 2.142 20 0 GEADLO Cc1cnc2n1CC[N@@H+](C)C21CCN([C@@H](F)Oc2cncc(Cl)n2)CC1 ZINC001164919735 721821145 /nfs/dbraw/zinc/82/11/45/721821145.db2.gz VHNIQBFWLUOIKM-MRXNPFEDSA-N 1 2 380.855 2.204 20 0 GEADLO Cc1cnc2n1CC[N@H+](C)C21CCN([C@@H](F)Oc2cncc(Cl)n2)CC1 ZINC001164919735 721821146 /nfs/dbraw/zinc/82/11/46/721821146.db2.gz VHNIQBFWLUOIKM-MRXNPFEDSA-N 1 2 380.855 2.204 20 0 GEADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165038010 721908074 /nfs/dbraw/zinc/90/80/74/721908074.db2.gz ISHZFUQPGSUZBT-GFCCVEGCSA-N 1 2 389.830 2.368 20 0 GEADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165039252 721911960 /nfs/dbraw/zinc/91/19/60/721911960.db2.gz SACZFTYNNBAQJS-NSHDSACASA-N 1 2 389.283 2.261 20 0 GEADLO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165045039 721920156 /nfs/dbraw/zinc/92/01/56/721920156.db2.gz YJILVQJUHHSYLO-WBMJQRKESA-N 1 2 394.825 2.236 20 0 GEADLO CSc1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945890 721970472 /nfs/dbraw/zinc/97/04/72/721970472.db2.gz ULXRMICFNIUKHF-UHFFFAOYSA-N 1 2 383.521 2.170 20 0 GEADLO CSc1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945890 721970475 /nfs/dbraw/zinc/97/04/75/721970475.db2.gz ULXRMICFNIUKHF-UHFFFAOYSA-N 1 2 383.521 2.170 20 0 GEADLO CCOc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164943754 721972627 /nfs/dbraw/zinc/97/26/27/721972627.db2.gz DLSYNZKHXAPAIZ-UHFFFAOYSA-N 1 2 380.492 2.451 20 0 GEADLO CCOc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164943754 721972629 /nfs/dbraw/zinc/97/26/29/721972629.db2.gz DLSYNZKHXAPAIZ-UHFFFAOYSA-N 1 2 380.492 2.451 20 0 GEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nnc(Cl)cc1F)CC2 ZINC001164947676 721974403 /nfs/dbraw/zinc/97/44/03/721974403.db2.gz QIVWVBRGYMOAPE-UHFFFAOYSA-N 1 2 389.862 2.240 20 0 GEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nnc(Cl)cc1F)CC2 ZINC001164947676 721974406 /nfs/dbraw/zinc/97/44/06/721974406.db2.gz QIVWVBRGYMOAPE-UHFFFAOYSA-N 1 2 389.862 2.240 20 0 GEADLO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000013360824 210058914 /nfs/dbraw/zinc/05/89/14/210058914.db2.gz QBYKKZGZWREQSD-UHFFFAOYSA-N 1 2 378.416 2.191 20 0 GEADLO CCOC(=O)c1sc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)nc1C ZINC000151761701 531519428 /nfs/dbraw/zinc/51/94/28/531519428.db2.gz FSXXGJXTPGNWIW-UWVGGRQHSA-N 1 2 379.404 2.442 20 0 GEADLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000151551996 531510442 /nfs/dbraw/zinc/51/04/42/531510442.db2.gz GSBZWOPFYHSKTL-INIZCTEOSA-N 1 2 392.297 2.339 20 0 GEADLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000151551996 531510447 /nfs/dbraw/zinc/51/04/47/531510447.db2.gz GSBZWOPFYHSKTL-INIZCTEOSA-N 1 2 392.297 2.339 20 0 GEADLO O=C(Cc1csc2ccc(Cl)cc12)N(CCO)CC[NH+]1CCOCC1 ZINC000152370914 531547509 /nfs/dbraw/zinc/54/75/09/531547509.db2.gz BCKQEAMGACLBMI-UHFFFAOYSA-N 1 2 382.913 2.250 20 0 GEADLO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1I ZINC000152777132 531568437 /nfs/dbraw/zinc/56/84/37/531568437.db2.gz LFIZRXYDPDCPFU-RYUDHWBXSA-N 1 2 388.249 2.465 20 0 GEADLO C[C@H](O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1I ZINC000152777132 531568450 /nfs/dbraw/zinc/56/84/50/531568450.db2.gz LFIZRXYDPDCPFU-RYUDHWBXSA-N 1 2 388.249 2.465 20 0 GEADLO CCO[C@@H]1C[C@H](O)C12CC[NH+](CC(=O)Nc1ccc(Br)cn1)CC2 ZINC000152882570 531578083 /nfs/dbraw/zinc/57/80/83/531578083.db2.gz FHXJJGJPVGCMKS-UONOGXRCSA-N 1 2 398.301 2.035 20 0 GEADLO Cc1nc(CN2CC[NH+](CC(=O)N3CCc4sccc4C3)CC2)cs1 ZINC000022816133 531591320 /nfs/dbraw/zinc/59/13/20/531591320.db2.gz BUVNLLDGZRDCQO-UHFFFAOYSA-N 1 2 376.551 2.216 20 0 GEADLO COc1ccc([C@H](NC(=O)CSc2nncs2)c2[nH+]ccn2C)cc1 ZINC000023956461 531601016 /nfs/dbraw/zinc/60/10/16/531601016.db2.gz MYZVEURFGSBUKS-AWEZNQCLSA-N 1 2 375.479 2.278 20 0 GEADLO CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000024782230 531608010 /nfs/dbraw/zinc/60/80/10/531608010.db2.gz HUJJPHYUBKUXFW-UHFFFAOYSA-N 1 2 388.693 2.499 20 0 GEADLO CSc1ncc(Cl)c(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)n1 ZINC000025291138 531614011 /nfs/dbraw/zinc/61/40/11/531614011.db2.gz BHAGIZKPRIDKEI-UHFFFAOYSA-N 1 2 379.873 2.014 20 0 GEADLO O=C1NC[C@H]2C[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CCN12 ZINC000154422080 531624801 /nfs/dbraw/zinc/62/48/01/531624801.db2.gz URTCUVZJGOAMMX-HNNXBMFYSA-N 1 2 388.269 2.116 20 0 GEADLO O=C1NC[C@H]2C[N@@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CCN12 ZINC000154422080 531624809 /nfs/dbraw/zinc/62/48/09/531624809.db2.gz URTCUVZJGOAMMX-HNNXBMFYSA-N 1 2 388.269 2.116 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000030131555 531632793 /nfs/dbraw/zinc/63/27/93/531632793.db2.gz QPGFKDUZTZCFPS-UHFFFAOYSA-N 1 2 387.933 2.381 20 0 GEADLO C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)Cc1cccnc1 ZINC000154751524 531631100 /nfs/dbraw/zinc/63/11/00/531631100.db2.gz BGPWYBDXVVDFPJ-UHFFFAOYSA-N 1 2 391.269 2.031 20 0 GEADLO C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)Cc1cccnc1 ZINC000154751524 531631108 /nfs/dbraw/zinc/63/11/08/531631108.db2.gz BGPWYBDXVVDFPJ-UHFFFAOYSA-N 1 2 391.269 2.031 20 0 GEADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031942147 531646837 /nfs/dbraw/zinc/64/68/37/531646837.db2.gz BVYDAHQCGHMWQN-RDTXWAMCSA-N 1 2 384.929 2.431 20 0 GEADLO Cc1nc(CN(C)C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)cs1 ZINC000155064756 531653927 /nfs/dbraw/zinc/65/39/27/531653927.db2.gz AJSZBDGNJWOHMV-UHFFFAOYSA-N 1 2 381.523 2.059 20 0 GEADLO Cc1cccc(S(=O)(=O)CCC[N@H+](CCS(C)(=O)=O)C(C)(C)C)c1 ZINC000155371405 531679804 /nfs/dbraw/zinc/67/98/04/531679804.db2.gz UYNFCHCAKLFGMG-UHFFFAOYSA-N 1 2 375.556 2.304 20 0 GEADLO Cc1cccc(S(=O)(=O)CCC[N@@H+](CCS(C)(=O)=O)C(C)(C)C)c1 ZINC000155371405 531679817 /nfs/dbraw/zinc/67/98/17/531679817.db2.gz UYNFCHCAKLFGMG-UHFFFAOYSA-N 1 2 375.556 2.304 20 0 GEADLO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H](S(=O)(=O)NC)C3)cs2)cc1 ZINC000155696059 531696419 /nfs/dbraw/zinc/69/64/19/531696419.db2.gz BGMSVUVUDXPKIM-MRXNPFEDSA-N 1 2 381.523 2.332 20 0 GEADLO CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H](S(=O)(=O)NC)C3)cs2)cc1 ZINC000155696059 531696425 /nfs/dbraw/zinc/69/64/25/531696425.db2.gz BGMSVUVUDXPKIM-MRXNPFEDSA-N 1 2 381.523 2.332 20 0 GEADLO C[C@H](CNC(=O)c1c[nH]c2cccc(Br)c12)[NH+]1CCN(C)CC1 ZINC000155884197 531703775 /nfs/dbraw/zinc/70/37/75/531703775.db2.gz ZUCPWJBPISXISN-GFCCVEGCSA-N 1 2 379.302 2.296 20 0 GEADLO CC(=O)N1CC[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000155928957 531707023 /nfs/dbraw/zinc/70/70/23/531707023.db2.gz SRVIVJFXEZWCLX-IAGOWNOFSA-N 1 2 394.313 2.323 20 0 GEADLO Cn1cc(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc(Br)c1=O ZINC000156258344 531725599 /nfs/dbraw/zinc/72/55/99/531725599.db2.gz HWIMKPOIBDCBOX-ZDUSSCGKSA-N 1 2 393.241 2.228 20 0 GEADLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2ccc(Br)o2)CC1 ZINC000048052862 531726787 /nfs/dbraw/zinc/72/67/87/531726787.db2.gz XENKASLAMHLATI-UHFFFAOYSA-N 1 2 387.274 2.276 20 0 GEADLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2ccc(Br)o2)CC1 ZINC000048052862 531726795 /nfs/dbraw/zinc/72/67/95/531726795.db2.gz XENKASLAMHLATI-UHFFFAOYSA-N 1 2 387.274 2.276 20 0 GEADLO C[C@H](O)C[C@H]1COCC[N@@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000157003887 531729722 /nfs/dbraw/zinc/72/97/22/531729722.db2.gz ZHNYOOARLTVDHH-JSGCOSHPSA-N 1 2 375.296 2.124 20 0 GEADLO C[C@H](O)C[C@H]1COCC[N@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000157003887 531729733 /nfs/dbraw/zinc/72/97/33/531729733.db2.gz ZHNYOOARLTVDHH-JSGCOSHPSA-N 1 2 375.296 2.124 20 0 GEADLO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000156122061 531717537 /nfs/dbraw/zinc/71/75/37/531717537.db2.gz GQNOJMWAZZYHJA-UHFFFAOYSA-N 1 2 386.677 2.348 20 0 GEADLO O=C(NCCn1cc[nH+]c1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000047805778 531721226 /nfs/dbraw/zinc/72/12/26/531721226.db2.gz SGXPVOOHYRWDOX-UHFFFAOYSA-N 1 2 394.273 2.304 20 0 GEADLO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N(C)CC(F)(F)F)CC2)s1 ZINC000051098112 531737474 /nfs/dbraw/zinc/73/74/74/531737474.db2.gz NIRCJEGDQXNJNF-UHFFFAOYSA-N 1 2 377.432 2.271 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CCS(=O)(=O)C(C)(C)C1)c1ccsc1 ZINC000157319994 531738752 /nfs/dbraw/zinc/73/87/52/531738752.db2.gz JIEXTTUYKIHUCU-HNNXBMFYSA-N 1 2 387.571 2.350 20 0 GEADLO C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@H](C)CO1 ZINC000051475049 531743015 /nfs/dbraw/zinc/74/30/15/531743015.db2.gz HHMWUDTYPCKVCM-CHWSQXEVSA-N 1 2 387.311 2.146 20 0 GEADLO C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@H](C)CO1 ZINC000051475049 531743020 /nfs/dbraw/zinc/74/30/20/531743020.db2.gz HHMWUDTYPCKVCM-CHWSQXEVSA-N 1 2 387.311 2.146 20 0 GEADLO O=S(=O)(CC[N@H+]1CCC[C@@H](CCO)C1)c1ccc(Br)cc1 ZINC000051916768 531746764 /nfs/dbraw/zinc/74/67/64/531746764.db2.gz VGBUVTYPWHGUON-ZDUSSCGKSA-N 1 2 376.316 2.317 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@@H](CCO)C1)c1ccc(Br)cc1 ZINC000051916768 531746772 /nfs/dbraw/zinc/74/67/72/531746772.db2.gz VGBUVTYPWHGUON-ZDUSSCGKSA-N 1 2 376.316 2.317 20 0 GEADLO CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000157562120 531747686 /nfs/dbraw/zinc/74/76/86/531747686.db2.gz YIUWUDMLNJRPCD-GFCCVEGCSA-N 1 2 392.315 2.475 20 0 GEADLO CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000157562120 531747690 /nfs/dbraw/zinc/74/76/90/531747690.db2.gz YIUWUDMLNJRPCD-GFCCVEGCSA-N 1 2 392.315 2.475 20 0 GEADLO Cc1cccc([C@@H](CNC(=O)CSc2nncs2)[NH+]2CCOCC2)c1 ZINC000052877721 531753135 /nfs/dbraw/zinc/75/31/35/531753135.db2.gz VGNNKVFOWBFWGC-OAHLLOKOSA-N 1 2 378.523 2.128 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[NH2+][C@H](c2ncc(C)s2)C2CC2)n1 ZINC000158085644 531764297 /nfs/dbraw/zinc/76/42/97/531764297.db2.gz ZPXWDGJJGSTVSF-AWEZNQCLSA-N 1 2 380.495 2.303 20 0 GEADLO Cc1cc(Br)oc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000052845386 531750263 /nfs/dbraw/zinc/75/02/63/531750263.db2.gz SMEKMTKWLHGUHY-OAHLLOKOSA-N 1 2 389.315 2.288 20 0 GEADLO CCOCCC[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000158336393 531776508 /nfs/dbraw/zinc/77/65/08/531776508.db2.gz ZQDLHLPEZUGRMT-UHFFFAOYSA-N 1 2 391.331 2.182 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000054372750 531777232 /nfs/dbraw/zinc/77/72/32/531777232.db2.gz PREDXTSGJXAOPL-GFCCVEGCSA-N 1 2 384.293 2.373 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000054372748 531778318 /nfs/dbraw/zinc/77/83/18/531778318.db2.gz PREDXTSGJXAOPL-LBPRGKRZSA-N 1 2 384.293 2.373 20 0 GEADLO C[C@@H](CCc1ccc(Br)cc1)NC(=O)NCC[NH+]1CCOCC1 ZINC000054539834 531778799 /nfs/dbraw/zinc/77/87/99/531778799.db2.gz UHWVIQJUSCOCJF-AWEZNQCLSA-N 1 2 384.318 2.402 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000055242053 531786011 /nfs/dbraw/zinc/78/60/11/531786011.db2.gz SZNJAVNQCZEWKA-GFCCVEGCSA-N 1 2 382.917 2.107 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000055242053 531786017 /nfs/dbraw/zinc/78/60/17/531786017.db2.gz SZNJAVNQCZEWKA-GFCCVEGCSA-N 1 2 382.917 2.107 20 0 GEADLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccccc2Br)C[C@H](C)O1 ZINC000055290740 531788068 /nfs/dbraw/zinc/78/80/68/531788068.db2.gz NWOBKTSQNOYEHX-STQMWFEESA-N 1 2 391.331 2.227 20 0 GEADLO Cn1cc(S(=O)(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cn1 ZINC000056054036 531804131 /nfs/dbraw/zinc/80/41/31/531804131.db2.gz KUSMKAXPDYJVJU-OAHLLOKOSA-N 1 2 386.880 2.328 20 0 GEADLO CCCCOCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000056267659 531812465 /nfs/dbraw/zinc/81/24/65/531812465.db2.gz SCGIPVRSGDWXCR-UHFFFAOYSA-N 1 2 380.432 2.227 20 0 GEADLO CC(C)(CNC(=O)NCc1cc(F)cc(Br)c1)[NH+]1CCOCC1 ZINC000056483912 531813491 /nfs/dbraw/zinc/81/34/91/531813491.db2.gz JQBXYMULISGHGU-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO C[N@H+](CC(=O)NCCCN1CCCC1=O)Cc1ccc(Br)s1 ZINC000057642194 531820714 /nfs/dbraw/zinc/82/07/14/531820714.db2.gz ORHXQWFXKOUNAY-UHFFFAOYSA-N 1 2 388.331 2.071 20 0 GEADLO C[N@@H+](CC(=O)NCCCN1CCCC1=O)Cc1ccc(Br)s1 ZINC000057642194 531820721 /nfs/dbraw/zinc/82/07/21/531820721.db2.gz ORHXQWFXKOUNAY-UHFFFAOYSA-N 1 2 388.331 2.071 20 0 GEADLO Cc1ccsc1CN(C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000060551740 531845071 /nfs/dbraw/zinc/84/50/71/531845071.db2.gz YALNSJTYTOVDPV-UHFFFAOYSA-N 1 2 380.539 2.024 20 0 GEADLO CN(C)C(=O)C[NH+]1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 ZINC000063664445 531858444 /nfs/dbraw/zinc/85/84/44/531858444.db2.gz NARZESDYFGEYMJ-UHFFFAOYSA-N 1 2 380.901 2.243 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN([C@@H](C(N)=O)c3cccc(Br)c3)CC2)S1 ZINC000163587330 531860702 /nfs/dbraw/zinc/86/07/02/531860702.db2.gz HQGIBFGWVIHINP-BXUZGUMPSA-N 1 2 397.342 2.084 20 0 GEADLO Brc1cnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)nc1 ZINC000063994505 531863031 /nfs/dbraw/zinc/86/30/31/531863031.db2.gz ZDYYUPWFFVXUEO-UHFFFAOYSA-N 1 2 391.269 2.333 20 0 GEADLO O=c1[nH]ncc(N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)c1Cl ZINC000064115084 531864221 /nfs/dbraw/zinc/86/42/21/531864221.db2.gz VLMOSVDZGNJPAR-UHFFFAOYSA-N 1 2 379.251 2.459 20 0 GEADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2csc(Br)c2)C1 ZINC000064994319 531872086 /nfs/dbraw/zinc/87/20/86/531872086.db2.gz UKIWWDKKDWJXBD-ZDUSSCGKSA-N 1 2 388.331 2.070 20 0 GEADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)Cc2csc(Br)c2)C1 ZINC000064994319 531872090 /nfs/dbraw/zinc/87/20/90/531872090.db2.gz UKIWWDKKDWJXBD-ZDUSSCGKSA-N 1 2 388.331 2.070 20 0 GEADLO O[C@H](CSc1nnc(Cc2cccs2)n1C1CC1)C[NH+]1CCOCC1 ZINC000066402772 531875058 /nfs/dbraw/zinc/87/50/58/531875058.db2.gz AOSIHZDMCPVWIW-AWEZNQCLSA-N 1 2 380.539 2.051 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1)NCc1ccc(Cl)s1 ZINC000067118134 531877045 /nfs/dbraw/zinc/87/70/45/531877045.db2.gz LWKDAHDQHLRSOI-CYBMUJFWSA-N 1 2 387.958 2.058 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1)NCc1ccc(Cl)s1 ZINC000067118134 531877049 /nfs/dbraw/zinc/87/70/49/531877049.db2.gz LWKDAHDQHLRSOI-CYBMUJFWSA-N 1 2 387.958 2.058 20 0 GEADLO COC(=O)CCCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000167925801 531880719 /nfs/dbraw/zinc/88/07/19/531880719.db2.gz ADMTWSSOAOMIOZ-ZBFHGGJFSA-N 1 2 392.880 2.097 20 0 GEADLO COC(=O)CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000167925801 531880725 /nfs/dbraw/zinc/88/07/25/531880725.db2.gz ADMTWSSOAOMIOZ-ZBFHGGJFSA-N 1 2 392.880 2.097 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067358124 531882675 /nfs/dbraw/zinc/88/26/75/531882675.db2.gz CBFUTTJXETXLRC-INIZCTEOSA-N 1 2 388.295 2.409 20 0 GEADLO CN(C)c1nc2sc(C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)cc2s1 ZINC000067998393 531892439 /nfs/dbraw/zinc/89/24/39/531892439.db2.gz FHVVVABFSKXIFK-GFCCVEGCSA-N 1 2 380.539 2.361 20 0 GEADLO CC(C)(O)C[NH+]1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000171154194 531896176 /nfs/dbraw/zinc/89/61/76/531896176.db2.gz SVIRHVXWCGSEEP-UHFFFAOYSA-N 1 2 395.352 2.156 20 0 GEADLO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000068085796 531896368 /nfs/dbraw/zinc/89/63/68/531896368.db2.gz YPNLJJXCIARDHO-NSHDSACASA-N 1 2 390.336 2.494 20 0 GEADLO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000068085796 531896372 /nfs/dbraw/zinc/89/63/72/531896372.db2.gz YPNLJJXCIARDHO-NSHDSACASA-N 1 2 390.336 2.494 20 0 GEADLO COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000171235576 531899034 /nfs/dbraw/zinc/89/90/34/531899034.db2.gz NHOZHLJGODWOSF-GFCCVEGCSA-N 1 2 382.507 2.202 20 0 GEADLO COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000171235576 531899041 /nfs/dbraw/zinc/89/90/41/531899041.db2.gz NHOZHLJGODWOSF-GFCCVEGCSA-N 1 2 382.507 2.202 20 0 GEADLO C[C@H](NC(=O)NCc1ccc(F)cc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000171655963 531910046 /nfs/dbraw/zinc/91/00/46/531910046.db2.gz YPOBDULSXAGUDB-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000171755815 531913358 /nfs/dbraw/zinc/91/33/58/531913358.db2.gz STGRZBZTZXEUSB-CQSZACIVSA-N 1 2 391.269 2.136 20 0 GEADLO Cc1cc(N2C[C@H](C(=O)NCCc3[nH]cc[nH+]3)CC2=O)ccc1Br ZINC000171755528 531914307 /nfs/dbraw/zinc/91/43/07/531914307.db2.gz PBQUTCPWXIVBDQ-GFCCVEGCSA-N 1 2 391.269 2.192 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1ccc(Br)s1 ZINC000171749794 531913688 /nfs/dbraw/zinc/91/36/88/531913688.db2.gz IRHXMJOYDNDXHO-GFCCVEGCSA-N 1 2 389.363 2.288 20 0 GEADLO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC(n2cc[nH+]c2)CC1 ZINC000171242662 531900318 /nfs/dbraw/zinc/90/03/18/531900318.db2.gz WOYKVVJYWIEBIM-UHFFFAOYSA-N 1 2 383.857 2.334 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1Cl ZINC000171297932 531903746 /nfs/dbraw/zinc/90/37/46/531903746.db2.gz NDKJBNBJJNIIEC-UHFFFAOYSA-N 1 2 388.295 2.467 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1Cl ZINC000171297932 531903753 /nfs/dbraw/zinc/90/37/53/531903753.db2.gz NDKJBNBJJNIIEC-UHFFFAOYSA-N 1 2 388.295 2.467 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1Cl)C[NH+]1CCN(C)CC1 ZINC000071972584 531915830 /nfs/dbraw/zinc/91/58/30/531915830.db2.gz SSKMRJLVJNOTEL-LBPRGKRZSA-N 1 2 380.341 2.155 20 0 GEADLO CC(C)n1ccc(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)n1 ZINC000172015908 531929901 /nfs/dbraw/zinc/92/99/01/531929901.db2.gz GGZXHPQNSNKDOM-UHFFFAOYSA-N 1 2 382.452 2.252 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](OCCO)C1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000172293132 531944235 /nfs/dbraw/zinc/94/42/35/531944235.db2.gz BVOSJTNJQHOLKI-LBPRGKRZSA-N 1 2 378.803 2.353 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](OCCO)C1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000172293132 531944241 /nfs/dbraw/zinc/94/42/41/531944241.db2.gz BVOSJTNJQHOLKI-LBPRGKRZSA-N 1 2 378.803 2.353 20 0 GEADLO OCCO[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000172300988 531946513 /nfs/dbraw/zinc/94/65/13/531946513.db2.gz BXCZMPNSBFWYNT-CQSZACIVSA-N 1 2 382.258 2.472 20 0 GEADLO OCCO[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000172300988 531946516 /nfs/dbraw/zinc/94/65/16/531946516.db2.gz BXCZMPNSBFWYNT-CQSZACIVSA-N 1 2 382.258 2.472 20 0 GEADLO Cc1csc2nc(C[NH+]3CCN(c4ncccc4Cl)CC3)cc(=O)n12 ZINC000172561418 531957120 /nfs/dbraw/zinc/95/71/20/531957120.db2.gz YZVJWJVXGUVFIU-UHFFFAOYSA-N 1 2 375.885 2.435 20 0 GEADLO CCn1c(C[N@@H+]2CCSC[C@@H]2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000172596022 531959289 /nfs/dbraw/zinc/95/92/89/531959289.db2.gz PQZYGCPULCILKR-ZDUSSCGKSA-N 1 2 382.555 2.244 20 0 GEADLO CCn1c(C[N@H+]2CCSC[C@@H]2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000172596022 531959295 /nfs/dbraw/zinc/95/92/95/531959295.db2.gz PQZYGCPULCILKR-ZDUSSCGKSA-N 1 2 382.555 2.244 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1cc(F)c(F)c(F)c1 ZINC000119276923 531963853 /nfs/dbraw/zinc/96/38/53/531963853.db2.gz VZCXZKOWIAWUKA-INIZCTEOSA-N 1 2 375.416 2.433 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172754665 531967742 /nfs/dbraw/zinc/96/77/42/531967742.db2.gz TZGSMVNUSSAOIZ-ZFWWWQNUSA-N 1 2 383.286 2.150 20 0 GEADLO CCO[C@H](C)c1nc(CN2CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2)cs1 ZINC000119443177 531968586 /nfs/dbraw/zinc/96/85/86/531968586.db2.gz PVYMINXAAJEJBJ-HUUCEWRRSA-N 1 2 389.587 2.039 20 0 GEADLO COC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000172895019 531972816 /nfs/dbraw/zinc/97/28/16/531972816.db2.gz PJTGWRKQFNNNFG-STQMWFEESA-N 1 2 394.693 2.189 20 0 GEADLO COC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000172895019 531972817 /nfs/dbraw/zinc/97/28/17/531972817.db2.gz PJTGWRKQFNNNFG-STQMWFEESA-N 1 2 394.693 2.189 20 0 GEADLO COCCC[N@H+](Cc1cnc(-c2ccccn2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000120193373 531977277 /nfs/dbraw/zinc/97/72/77/531977277.db2.gz PUASENGPRIGJEI-CQSZACIVSA-N 1 2 381.523 2.231 20 0 GEADLO COCCC[N@@H+](Cc1cnc(-c2ccccn2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000120193373 531977283 /nfs/dbraw/zinc/97/72/83/531977283.db2.gz PUASENGPRIGJEI-CQSZACIVSA-N 1 2 381.523 2.231 20 0 GEADLO O=C(CCC[S@@](=O)c1ccc(Br)cc1)NCCc1[nH]cc[nH+]1 ZINC000172992263 531978438 /nfs/dbraw/zinc/97/84/38/531978438.db2.gz IYIMUOMXSOJIQH-JOCHJYFZSA-N 1 2 384.299 2.419 20 0 GEADLO Cc1nc(NCC2(c3cccc(Br)c3)CCOCC2)nc(N)[nH+]1 ZINC000631063655 531997621 /nfs/dbraw/zinc/99/76/21/531997621.db2.gz CSFOCGOYOZIZOT-UHFFFAOYSA-N 1 2 378.274 2.107 20 0 GEADLO Cc1nc(N)nc(NCC2(c3cccc(Br)c3)CCOCC2)[nH+]1 ZINC000631063655 531997632 /nfs/dbraw/zinc/99/76/32/531997632.db2.gz CSFOCGOYOZIZOT-UHFFFAOYSA-N 1 2 378.274 2.107 20 0 GEADLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000120937349 532004445 /nfs/dbraw/zinc/00/44/45/532004445.db2.gz ANAHYWQQSDOKNS-UHFFFAOYSA-N 1 2 387.285 2.448 20 0 GEADLO Cc1cccc(C[NH+]2CCN(Cc3csc(CS(C)(=O)=O)n3)CC2)c1 ZINC000173444471 532011258 /nfs/dbraw/zinc/01/12/58/532011258.db2.gz LIBQFOGQWCFBAB-UHFFFAOYSA-N 1 2 379.551 2.314 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000173509823 532015208 /nfs/dbraw/zinc/01/52/08/532015208.db2.gz HTUYMHDICZKUIF-VIFPVBQESA-N 1 2 377.304 2.278 20 0 GEADLO C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000173584908 532020861 /nfs/dbraw/zinc/02/08/61/532020861.db2.gz KBYAMUDUXKLZGO-BBRMVZONSA-N 1 2 387.343 2.315 20 0 GEADLO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121316943 532022183 /nfs/dbraw/zinc/02/21/83/532022183.db2.gz LPNMLWPXRILCNZ-OAHLLOKOSA-N 1 2 380.853 2.189 20 0 GEADLO CCc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)s1 ZINC000121371435 532027219 /nfs/dbraw/zinc/02/72/19/532027219.db2.gz IXUJOFWOCIFPLD-JKSUJKDBSA-N 1 2 380.535 2.224 20 0 GEADLO CCc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)s1 ZINC000121371435 532027223 /nfs/dbraw/zinc/02/72/23/532027223.db2.gz IXUJOFWOCIFPLD-JKSUJKDBSA-N 1 2 380.535 2.224 20 0 GEADLO O=C(CN1CCC[C@H]1C[NH+]1CCOCC1)Nc1ccc(Br)cc1 ZINC000173685070 532026223 /nfs/dbraw/zinc/02/62/23/532026223.db2.gz JWWFSULTMQRGRI-INIZCTEOSA-N 1 2 382.302 2.184 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000173764252 532032248 /nfs/dbraw/zinc/03/22/48/532032248.db2.gz IOSHGHRZAKDGHW-LRDDRELGSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000173764252 532032253 /nfs/dbraw/zinc/03/22/53/532032253.db2.gz IOSHGHRZAKDGHW-LRDDRELGSA-N 1 2 383.286 2.196 20 0 GEADLO NC(=O)[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(Br)cc1F ZINC000173867250 532039214 /nfs/dbraw/zinc/03/92/14/532039214.db2.gz CHLLZDNTKJJNQE-HNNXBMFYSA-N 1 2 394.244 2.134 20 0 GEADLO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173895733 532040447 /nfs/dbraw/zinc/04/04/47/532040447.db2.gz KCGXAKJKPZTDPF-LBPRGKRZSA-N 1 2 394.324 2.264 20 0 GEADLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)C(=O)NCc1ccco1 ZINC000174011304 532045240 /nfs/dbraw/zinc/04/52/40/532045240.db2.gz KFUAKBKEMIYRMS-XPTSAGLGSA-N 1 2 398.232 2.002 20 0 GEADLO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000174224401 532056983 /nfs/dbraw/zinc/05/69/83/532056983.db2.gz UCCJIUCZNYPVTH-UHFFFAOYSA-N 1 2 380.436 2.414 20 0 GEADLO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000174224401 532056990 /nfs/dbraw/zinc/05/69/90/532056990.db2.gz UCCJIUCZNYPVTH-UHFFFAOYSA-N 1 2 380.436 2.414 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000174376434 532063266 /nfs/dbraw/zinc/06/32/66/532063266.db2.gz ZKDCVHGQUIFSHS-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000174379998 532063818 /nfs/dbraw/zinc/06/38/18/532063818.db2.gz DNQGCLMJYBNTMH-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000122678600 532077979 /nfs/dbraw/zinc/07/79/79/532077979.db2.gz PWZNQPKPVGGJNW-OLZOCXBDSA-N 1 2 380.432 2.171 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[N@H+]1C[C@@H](C)O ZINC000122678600 532077983 /nfs/dbraw/zinc/07/79/83/532077983.db2.gz PWZNQPKPVGGJNW-OLZOCXBDSA-N 1 2 380.432 2.171 20 0 GEADLO CN(CC[NH+]1CCOCC1)c1ncnc2ccc(I)cc21 ZINC000174723068 532075882 /nfs/dbraw/zinc/07/58/82/532075882.db2.gz IOERANSXFORDGA-UHFFFAOYSA-N 1 2 398.248 2.003 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000122727091 532080659 /nfs/dbraw/zinc/08/06/59/532080659.db2.gz DDJUEXDMKCKOJS-RISCZKNCSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C[C@@H](C)O ZINC000122727091 532080666 /nfs/dbraw/zinc/08/06/66/532080666.db2.gz DDJUEXDMKCKOJS-RISCZKNCSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000122738739 532080997 /nfs/dbraw/zinc/08/09/97/532080997.db2.gz FITFVCZOPKZGAD-DGCLKSJQSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000122738739 532081000 /nfs/dbraw/zinc/08/10/00/532081000.db2.gz FITFVCZOPKZGAD-DGCLKSJQSA-N 1 2 381.325 2.459 20 0 GEADLO CC(C)OCC[NH+]1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000174898704 532082363 /nfs/dbraw/zinc/08/23/63/532082363.db2.gz YCMGOCHRPAUGID-UHFFFAOYSA-N 1 2 376.469 2.226 20 0 GEADLO O=C(C[N@@H+]1CCC2(CCC2)C1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000122956733 532088454 /nfs/dbraw/zinc/08/84/54/532088454.db2.gz CRSIJGBSLJVKOF-HNNXBMFYSA-N 1 2 382.551 2.140 20 0 GEADLO O=C(C[N@H+]1CCC2(CCC2)C1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000122956733 532088457 /nfs/dbraw/zinc/08/84/57/532088457.db2.gz CRSIJGBSLJVKOF-HNNXBMFYSA-N 1 2 382.551 2.140 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000175323436 532099312 /nfs/dbraw/zinc/09/93/12/532099312.db2.gz CWHWLXASQKXZAE-LLVKDONJSA-N 1 2 395.308 2.251 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000175190941 532092917 /nfs/dbraw/zinc/09/29/17/532092917.db2.gz UBLFESROUKIEGZ-UHFFFAOYSA-N 1 2 391.331 2.420 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000175323111 532099487 /nfs/dbraw/zinc/09/94/87/532099487.db2.gz XPSCVZCNVKNAFI-LLVKDONJSA-N 1 2 395.308 2.251 20 0 GEADLO CC(C)(CNC(=O)[C@H]1COc2ccc(Br)cc21)[NH+]1CCOCC1 ZINC000123130549 532093303 /nfs/dbraw/zinc/09/33/03/532093303.db2.gz ZZLQETIBPQCZQR-AWEZNQCLSA-N 1 2 383.286 2.152 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000175301760 532098542 /nfs/dbraw/zinc/09/85/42/532098542.db2.gz DWYBMESEVWNVTC-LBPRGKRZSA-N 1 2 380.432 2.260 20 0 GEADLO CCOc1cccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)n1 ZINC000123626364 532103636 /nfs/dbraw/zinc/10/36/36/532103636.db2.gz UJJLKOKTLNOWIV-UHFFFAOYSA-N 1 2 381.523 2.485 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123755012 532106423 /nfs/dbraw/zinc/10/64/23/532106423.db2.gz PGCSXKPNCOUPEF-PVXIVEMSSA-N 1 2 390.908 2.269 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123755012 532106427 /nfs/dbraw/zinc/10/64/27/532106427.db2.gz PGCSXKPNCOUPEF-PVXIVEMSSA-N 1 2 390.908 2.269 20 0 GEADLO C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000175618597 532109390 /nfs/dbraw/zinc/10/93/90/532109390.db2.gz OCUMQHGKAFBEEJ-JSGCOSHPSA-N 1 2 390.311 2.389 20 0 GEADLO C[N@@H+]1CC[C@@H](CNC(=O)CCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123868063 532109462 /nfs/dbraw/zinc/10/94/62/532109462.db2.gz BSULPICDXVQZFH-LRDDRELGSA-N 1 2 376.881 2.023 20 0 GEADLO C[N@H+]1CC[C@@H](CNC(=O)CCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123868063 532109469 /nfs/dbraw/zinc/10/94/69/532109469.db2.gz BSULPICDXVQZFH-LRDDRELGSA-N 1 2 376.881 2.023 20 0 GEADLO Cc1csc([C@H](C)NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)n1 ZINC000123872661 532109646 /nfs/dbraw/zinc/10/96/46/532109646.db2.gz HNDKFIORVUMWOK-ZDUSSCGKSA-N 1 2 381.523 2.278 20 0 GEADLO C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C[C@H]1n1cc[nH+]c1 ZINC000123879189 532109872 /nfs/dbraw/zinc/10/98/72/532109872.db2.gz JSFHIMMIKQWLEN-VXGBXAGGSA-N 1 2 395.257 2.078 20 0 GEADLO COc1nc(N2CC[NH+](Cc3cnc(C)s3)CC2)ncc1Br ZINC000175867011 532117846 /nfs/dbraw/zinc/11/78/46/532117846.db2.gz UNCWLPQATFQART-UHFFFAOYSA-N 1 2 384.303 2.335 20 0 GEADLO CCOCCNC(=O)C[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000175984811 532122211 /nfs/dbraw/zinc/12/22/11/532122211.db2.gz UKNKVUGSVWLEIB-HNNXBMFYSA-N 1 2 398.345 2.280 20 0 GEADLO O=C(CCn1cncn1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000124450809 532122412 /nfs/dbraw/zinc/12/24/12/532122412.db2.gz DCDSAKHEQDVPHB-UHFFFAOYSA-N 1 2 382.295 2.362 20 0 GEADLO O=S(=O)(c1cccc2c1N=S=N2)N1CC[NH+](CCCCCCO)CC1 ZINC000175740006 532113330 /nfs/dbraw/zinc/11/33/30/532113330.db2.gz FAYAAPQJFUALOJ-UHFFFAOYSA-N 1 2 384.527 2.272 20 0 GEADLO O=C(NCCC[NH+]1CCOCC1)c1cc(Br)cc(Cl)c1O ZINC000124084097 532114002 /nfs/dbraw/zinc/11/40/02/532114002.db2.gz FUQCHWZJTWLINA-UHFFFAOYSA-N 1 2 377.666 2.260 20 0 GEADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)C1 ZINC000125125658 532133109 /nfs/dbraw/zinc/13/31/09/532133109.db2.gz SNTPQUMTLSVOPT-AWEZNQCLSA-N 1 2 393.241 2.301 20 0 GEADLO C[N@H+]1CCO[C@H](C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)C1 ZINC000125125658 532133114 /nfs/dbraw/zinc/13/31/14/532133114.db2.gz SNTPQUMTLSVOPT-AWEZNQCLSA-N 1 2 393.241 2.301 20 0 GEADLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000176362441 532135374 /nfs/dbraw/zinc/13/53/74/532135374.db2.gz JOBBOUKUQQGSQK-LBPRGKRZSA-N 1 2 381.523 2.028 20 0 GEADLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000176362441 532135380 /nfs/dbraw/zinc/13/53/80/532135380.db2.gz JOBBOUKUQQGSQK-LBPRGKRZSA-N 1 2 381.523 2.028 20 0 GEADLO Cc1nc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)sc1Br ZINC000125521083 532136848 /nfs/dbraw/zinc/13/68/48/532136848.db2.gz DVEXCJUFRCCZAZ-UHFFFAOYSA-N 1 2 380.333 2.119 20 0 GEADLO CC(C)C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000127098688 532152340 /nfs/dbraw/zinc/15/23/40/532152340.db2.gz CTVWYFNCQMAZMB-INIZCTEOSA-N 1 2 376.469 2.131 20 0 GEADLO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000176558146 532140340 /nfs/dbraw/zinc/14/03/40/532140340.db2.gz CLBFQBIDEILUMQ-XJKSGUPXSA-N 1 2 389.323 2.324 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000176575350 532141652 /nfs/dbraw/zinc/14/16/52/532141652.db2.gz GHSXPFLNADQRQJ-FVQBIDKESA-N 1 2 387.307 2.248 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)s2)cs1 ZINC000125945459 532144133 /nfs/dbraw/zinc/14/41/33/532144133.db2.gz MPHOLXVALLPGCR-GWCFXTLKSA-N 1 2 387.552 2.177 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)s2)cs1 ZINC000125945459 532144137 /nfs/dbraw/zinc/14/41/37/532144137.db2.gz MPHOLXVALLPGCR-GWCFXTLKSA-N 1 2 387.552 2.177 20 0 GEADLO Cc1ccc(Br)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000127637097 532155592 /nfs/dbraw/zinc/15/55/92/532155592.db2.gz JALHRJAZAULZKT-CYBMUJFWSA-N 1 2 391.331 2.004 20 0 GEADLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@@H](C)CS(C)(=O)=O ZINC000176944223 532156729 /nfs/dbraw/zinc/15/67/29/532156729.db2.gz ZQAMGFQHRHKEJC-LLVKDONJSA-N 1 2 380.432 2.435 20 0 GEADLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@@H](C)CS(C)(=O)=O ZINC000176944223 532156730 /nfs/dbraw/zinc/15/67/30/532156730.db2.gz ZQAMGFQHRHKEJC-LLVKDONJSA-N 1 2 380.432 2.435 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@H]1CC[C@@H](CO)CC1 ZINC000127897411 532157739 /nfs/dbraw/zinc/15/77/39/532157739.db2.gz UKVKIFXYUDWCHF-AULYBMBSSA-N 1 2 381.274 2.447 20 0 GEADLO CCS(=O)(=O)CC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000128091723 532161569 /nfs/dbraw/zinc/16/15/69/532161569.db2.gz FMJYDMFEYYPEHN-UHFFFAOYSA-N 1 2 377.304 2.144 20 0 GEADLO CCS(=O)(=O)CC[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000128091723 532161574 /nfs/dbraw/zinc/16/15/74/532161574.db2.gz FMJYDMFEYYPEHN-UHFFFAOYSA-N 1 2 377.304 2.144 20 0 GEADLO CN(Cc1cc(Cl)cn1C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000128346561 532163911 /nfs/dbraw/zinc/16/39/11/532163911.db2.gz LAGJEFKYDJNCIO-QGZVFWFLSA-N 1 2 386.949 2.028 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000177680057 532178555 /nfs/dbraw/zinc/17/85/55/532178555.db2.gz WVLKCNHGNHKRPS-GFCCVEGCSA-N 1 2 384.293 2.373 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000177680031 532178890 /nfs/dbraw/zinc/17/88/90/532178890.db2.gz BHKSORDYFOUOAI-GFCCVEGCSA-N 1 2 384.293 2.373 20 0 GEADLO C[C@@H](Cn1cc(Br)cn1)[NH2+]c1ccc(N2CCNC(=O)C2)cc1 ZINC000129572090 532180635 /nfs/dbraw/zinc/18/06/35/532180635.db2.gz ABJYQYKSRBCAPC-LBPRGKRZSA-N 1 2 378.274 2.082 20 0 GEADLO Cn1cc[nH+]c1CN1CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000129676141 532181899 /nfs/dbraw/zinc/18/18/99/532181899.db2.gz VWJUUPIYQFJYDO-UHFFFAOYSA-N 1 2 395.276 2.209 20 0 GEADLO Cc1nsc(N2CC[NH+](C[C@H](O)c3cccc(Br)c3)CC2)n1 ZINC000177836736 532184312 /nfs/dbraw/zinc/18/43/12/532184312.db2.gz FRCPHTUEKHFRGK-AWEZNQCLSA-N 1 2 383.315 2.465 20 0 GEADLO COc1cc[nH+]cc1NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000131465055 532197652 /nfs/dbraw/zinc/19/76/52/532197652.db2.gz YPAILYGNTWRWRE-UHFFFAOYSA-N 1 2 389.209 2.201 20 0 GEADLO O=S(=O)(NCCC[NH+]1CCOCC1)c1ccc(Br)c(Cl)c1 ZINC000131536254 532198813 /nfs/dbraw/zinc/19/88/13/532198813.db2.gz POVQNUWRFOPLQF-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000129915801 532187161 /nfs/dbraw/zinc/18/71/61/532187161.db2.gz FQRVVMQPGDLXHJ-LLVKDONJSA-N 1 2 384.889 2.452 20 0 GEADLO Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000130103010 532188642 /nfs/dbraw/zinc/18/86/42/532188642.db2.gz DCHIKNPHZYMQDI-UHFFFAOYSA-N 1 2 386.905 2.432 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)NCC1(CS(C)(=O)=O)CC1)c1ccsc1 ZINC000178537791 532205041 /nfs/dbraw/zinc/20/50/41/532205041.db2.gz HYHFYTIWKXCHKG-HNNXBMFYSA-N 1 2 387.571 2.255 20 0 GEADLO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178647447 532208418 /nfs/dbraw/zinc/20/84/18/532208418.db2.gz MWBAVHHRUKVWSE-GFCCVEGCSA-N 1 2 382.942 2.184 20 0 GEADLO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178735260 532211222 /nfs/dbraw/zinc/21/12/22/532211222.db2.gz IUHDVTSVJVVOQE-DOTOQJQBSA-N 1 2 380.330 2.134 20 0 GEADLO CN(C)C(=O)N1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000132462675 532216092 /nfs/dbraw/zinc/21/60/92/532216092.db2.gz PONXJNLAHHCQKL-ZDUSSCGKSA-N 1 2 376.284 2.032 20 0 GEADLO CC(C)OCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000133337912 532232126 /nfs/dbraw/zinc/23/21/26/532232126.db2.gz HKPJNXZRIWWMDD-DLBZAZTESA-N 1 2 390.933 2.056 20 0 GEADLO CC(C)OCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133337912 532232132 /nfs/dbraw/zinc/23/21/32/532232132.db2.gz HKPJNXZRIWWMDD-DLBZAZTESA-N 1 2 390.933 2.056 20 0 GEADLO Cc1cccc2[nH+]c(CNC(=O)C(=O)Nc3cncc(Br)c3)cn21 ZINC000179480067 532232218 /nfs/dbraw/zinc/23/22/18/532232218.db2.gz GUCSYENEVOEKDV-UHFFFAOYSA-N 1 2 388.225 2.055 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000133340381 532232520 /nfs/dbraw/zinc/23/25/20/532232520.db2.gz SEMKRWGGVXZOQU-OAHLLOKOSA-N 1 2 380.432 2.408 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000133340381 532232523 /nfs/dbraw/zinc/23/25/23/532232523.db2.gz SEMKRWGGVXZOQU-OAHLLOKOSA-N 1 2 380.432 2.408 20 0 GEADLO O=C1NCC[C@H]1Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000178999907 532220520 /nfs/dbraw/zinc/22/05/20/532220520.db2.gz QDRGPXIBBGIIKO-CQSZACIVSA-N 1 2 377.901 2.497 20 0 GEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cccc(Br)c1C ZINC000179215800 532225708 /nfs/dbraw/zinc/22/57/08/532225708.db2.gz BUBIDVNTOBRTEY-UHFFFAOYSA-N 1 2 385.302 2.065 20 0 GEADLO CC(C)n1ncc2cc(C[N@@H+]3CCCN(S(C)(=O)=O)CC3)c(Cl)nc21 ZINC000179902562 532250295 /nfs/dbraw/zinc/25/02/95/532250295.db2.gz FCXVMHRDHGLMID-UHFFFAOYSA-N 1 2 385.921 2.133 20 0 GEADLO CC(C)n1ncc2cc(C[N@H+]3CCCN(S(C)(=O)=O)CC3)c(Cl)nc21 ZINC000179902562 532250300 /nfs/dbraw/zinc/25/03/00/532250300.db2.gz FCXVMHRDHGLMID-UHFFFAOYSA-N 1 2 385.921 2.133 20 0 GEADLO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000179996746 532253151 /nfs/dbraw/zinc/25/31/51/532253151.db2.gz QTQCZNUQGFIMGK-PHIMTYICSA-N 1 2 389.315 2.017 20 0 GEADLO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000179996746 532253154 /nfs/dbraw/zinc/25/31/54/532253154.db2.gz QTQCZNUQGFIMGK-PHIMTYICSA-N 1 2 389.315 2.017 20 0 GEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(Br)c(C)c1 ZINC000179587107 532236901 /nfs/dbraw/zinc/23/69/01/532236901.db2.gz QJDGOOUFTOOERN-UHFFFAOYSA-N 1 2 385.302 2.065 20 0 GEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(C)cc1Br ZINC000179588025 532237303 /nfs/dbraw/zinc/23/73/03/532237303.db2.gz VUQVVQGCXUYAKJ-UHFFFAOYSA-N 1 2 385.302 2.065 20 0 GEADLO COc1ccc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)cc1Br ZINC000134551861 532258367 /nfs/dbraw/zinc/25/83/67/532258367.db2.gz GRNHJVSHNMQGDB-UHFFFAOYSA-N 1 2 388.287 2.365 20 0 GEADLO Cc1c(Cl)cccc1OCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000134667898 532260546 /nfs/dbraw/zinc/26/05/46/532260546.db2.gz SGKGWVKCWONHSL-GOSISDBHSA-N 1 2 384.929 2.351 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000135262778 532268760 /nfs/dbraw/zinc/26/87/60/532268760.db2.gz JAWZXZOIRCETII-PHIMTYICSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000135262778 532268762 /nfs/dbraw/zinc/26/87/62/532268762.db2.gz JAWZXZOIRCETII-PHIMTYICSA-N 1 2 377.304 2.171 20 0 GEADLO O=S(=O)([C@@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C1)N1CCCC1 ZINC000135712185 532279131 /nfs/dbraw/zinc/27/91/31/532279131.db2.gz NWSULWMPKPPKPV-MRXNPFEDSA-N 1 2 386.901 2.206 20 0 GEADLO O=S(=O)([C@@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1)N1CCCC1 ZINC000135712185 532279133 /nfs/dbraw/zinc/27/91/33/532279133.db2.gz NWSULWMPKPPKPV-MRXNPFEDSA-N 1 2 386.901 2.206 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc(Cl)c1OC ZINC000180744576 532279828 /nfs/dbraw/zinc/27/98/28/532279828.db2.gz FXNULJHTOLEBOZ-AWEZNQCLSA-N 1 2 388.917 2.357 20 0 GEADLO COc1cc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc(Cl)c1OC ZINC000180744576 532279833 /nfs/dbraw/zinc/27/98/33/532279833.db2.gz FXNULJHTOLEBOZ-AWEZNQCLSA-N 1 2 388.917 2.357 20 0 GEADLO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000136227092 532283183 /nfs/dbraw/zinc/28/31/83/532283183.db2.gz FWXNTBMLOHXSEQ-GDBMZVCRSA-N 1 2 395.297 2.248 20 0 GEADLO C[C@H](CN1CCOCC1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000180475562 532273034 /nfs/dbraw/zinc/27/30/34/532273034.db2.gz RIGQWUZWVXDWJE-CQSZACIVSA-N 1 2 386.323 2.472 20 0 GEADLO COc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)nc1Br ZINC000180471395 532273087 /nfs/dbraw/zinc/27/30/87/532273087.db2.gz DAEGPXQNAAVMGQ-UHFFFAOYSA-N 1 2 377.242 2.210 20 0 GEADLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cs1 ZINC000180525344 532274387 /nfs/dbraw/zinc/27/43/87/532274387.db2.gz MFXVPJUDJODTDJ-NSHDSACASA-N 1 2 382.511 2.203 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ncc(Br)s3)C2=O)n(C)n1 ZINC000181190294 532292969 /nfs/dbraw/zinc/29/29/69/532292969.db2.gz POGPSXMDQAXRKN-UWVGGRQHSA-N 1 2 384.303 2.404 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](C)C[C@H](O)C(F)(F)F)c1ccc(Br)cc1 ZINC000181265361 532294513 /nfs/dbraw/zinc/29/45/13/532294513.db2.gz KHHPDNUAXGIVNC-SKDRFNHKSA-N 1 2 383.208 2.481 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F)c1ccc(Br)cc1 ZINC000181265361 532294515 /nfs/dbraw/zinc/29/45/15/532294515.db2.gz KHHPDNUAXGIVNC-SKDRFNHKSA-N 1 2 383.208 2.481 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(OCC)c(OC)c2)C1 ZINC000181556460 532301230 /nfs/dbraw/zinc/30/12/30/532301230.db2.gz WIBZIOXJNRHLLA-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(OCC)c(OC)c2)C1 ZINC000181556460 532301233 /nfs/dbraw/zinc/30/12/33/532301233.db2.gz WIBZIOXJNRHLLA-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000181556563 532301524 /nfs/dbraw/zinc/30/15/24/532301524.db2.gz MCMCIOWYCJUBDJ-CQSZACIVSA-N 1 2 385.921 2.179 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000181556563 532301525 /nfs/dbraw/zinc/30/15/25/532301525.db2.gz MCMCIOWYCJUBDJ-CQSZACIVSA-N 1 2 385.921 2.179 20 0 GEADLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000181651537 532303572 /nfs/dbraw/zinc/30/35/72/532303572.db2.gz MKVBHYRSQBGWSR-UHFFFAOYSA-N 1 2 381.325 2.212 20 0 GEADLO CCN(C(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000181755625 532305637 /nfs/dbraw/zinc/30/56/37/532305637.db2.gz LPUAYVURPVBPBJ-RYUDHWBXSA-N 1 2 376.881 2.165 20 0 GEADLO C[C@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1c(F)cccc1Cl ZINC000181751692 532306011 /nfs/dbraw/zinc/30/60/11/532306011.db2.gz IRFWEZYVGSHQIG-JTQLQIEISA-N 1 2 385.848 2.416 20 0 GEADLO CCc1nc(NC(=O)C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)sc1C ZINC000181795075 532306749 /nfs/dbraw/zinc/30/67/49/532306749.db2.gz CKNOSARVCJRPGE-HNNXBMFYSA-N 1 2 381.523 2.328 20 0 GEADLO CS(=O)(=O)C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccccc1 ZINC000181780588 532306822 /nfs/dbraw/zinc/30/68/22/532306822.db2.gz FBIDXDQWGSLCRG-CQSZACIVSA-N 1 2 386.926 2.393 20 0 GEADLO O=C(CC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)NCC(F)(F)F ZINC000182125605 532309537 /nfs/dbraw/zinc/30/95/37/532309537.db2.gz HQCZJMOQCMHCFE-UHFFFAOYSA-N 1 2 377.794 2.053 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)c(Cl)c1 ZINC000182414955 532312704 /nfs/dbraw/zinc/31/27/04/532312704.db2.gz SKRBHPYVAKOXMA-UHFFFAOYSA-N 1 2 385.873 2.458 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cnn(CCC(F)(F)F)c3)CC2)S1 ZINC000183350532 532323475 /nfs/dbraw/zinc/32/34/75/532323475.db2.gz XLHBDZFRWMVSMJ-LLVKDONJSA-N 1 2 375.420 2.085 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cnn(CCC(F)(F)F)c3)CC2)S1 ZINC000183350550 532323792 /nfs/dbraw/zinc/32/37/92/532323792.db2.gz XLHBDZFRWMVSMJ-NSHDSACASA-N 1 2 375.420 2.085 20 0 GEADLO CC[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)c1nccs1 ZINC000185115730 532336840 /nfs/dbraw/zinc/33/68/40/532336840.db2.gz WGWKIHGDSCBQHA-ZDUSSCGKSA-N 1 2 382.511 2.087 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185207594 532337260 /nfs/dbraw/zinc/33/72/60/532337260.db2.gz YBJGPGQKOOHBAX-RDTXWAMCSA-N 1 2 397.313 2.287 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185207594 532337261 /nfs/dbraw/zinc/33/72/61/532337261.db2.gz YBJGPGQKOOHBAX-RDTXWAMCSA-N 1 2 397.313 2.287 20 0 GEADLO CSc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1Cl ZINC000185658993 532338289 /nfs/dbraw/zinc/33/82/89/532338289.db2.gz VSYHYZFVYNLEDI-LBPRGKRZSA-N 1 2 376.931 2.203 20 0 GEADLO CSc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1Cl ZINC000185658993 532338290 /nfs/dbraw/zinc/33/82/90/532338290.db2.gz VSYHYZFVYNLEDI-LBPRGKRZSA-N 1 2 376.931 2.203 20 0 GEADLO COc1nc(N2CC[NH+](Cc3cc(O)cc(F)c3)CC2)ncc1Br ZINC000186213348 532340087 /nfs/dbraw/zinc/34/00/87/532340087.db2.gz UXVPGADNLXUING-UHFFFAOYSA-N 1 2 397.248 2.415 20 0 GEADLO Cc1nsc(N2CCC[N@@H+]([C@@H](Cc3ccc(Cl)cc3)C(N)=O)CC2)n1 ZINC000183626728 532326800 /nfs/dbraw/zinc/32/68/00/532326800.db2.gz KDIVMRAVOUVREO-HNNXBMFYSA-N 1 2 379.917 2.109 20 0 GEADLO Cc1nsc(N2CCC[N@H+]([C@@H](Cc3ccc(Cl)cc3)C(N)=O)CC2)n1 ZINC000183626728 532326802 /nfs/dbraw/zinc/32/68/02/532326802.db2.gz KDIVMRAVOUVREO-HNNXBMFYSA-N 1 2 379.917 2.109 20 0 GEADLO COC(=O)c1cn(C2CC[NH+](Cc3cncc(Br)c3)CC2)nn1 ZINC000183713183 532328472 /nfs/dbraw/zinc/32/84/72/532328472.db2.gz RZNOQNOARGHBRE-UHFFFAOYSA-N 1 2 380.246 2.059 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)s1 ZINC000183745146 532328945 /nfs/dbraw/zinc/32/89/45/532328945.db2.gz BDIBZELSKOIJOB-HNNXBMFYSA-N 1 2 386.539 2.361 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)s1 ZINC000183745146 532328947 /nfs/dbraw/zinc/32/89/47/532328947.db2.gz BDIBZELSKOIJOB-HNNXBMFYSA-N 1 2 386.539 2.361 20 0 GEADLO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(Br)cc2O)CC1 ZINC000184200753 532331176 /nfs/dbraw/zinc/33/11/76/532331176.db2.gz LTNNDKLLHFWVKJ-UHFFFAOYSA-N 1 2 384.318 2.301 20 0 GEADLO C[NH+]1CCN(CCC(C)(C)NC(=O)c2ccc(Br)cc2O)CC1 ZINC000184200753 532331179 /nfs/dbraw/zinc/33/11/79/532331179.db2.gz LTNNDKLLHFWVKJ-UHFFFAOYSA-N 1 2 384.318 2.301 20 0 GEADLO CCCCN(C(=O)C[NH2+][C@@H](CC)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000184414113 532332572 /nfs/dbraw/zinc/33/25/72/532332572.db2.gz WNSXTMAZUQBLLL-CABCVRRESA-N 1 2 387.571 2.308 20 0 GEADLO CCCCN(C(=O)C[NH2+][C@H](CC)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000184414150 532332604 /nfs/dbraw/zinc/33/26/04/532332604.db2.gz WNSXTMAZUQBLLL-HUUCEWRRSA-N 1 2 387.571 2.308 20 0 GEADLO CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2c[nH+]cn2C)ccc1Cl ZINC000188073501 532346534 /nfs/dbraw/zinc/34/65/34/532346534.db2.gz UJAGJMACRNRDQJ-UHFFFAOYSA-N 1 2 384.889 2.285 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000188282429 532347662 /nfs/dbraw/zinc/34/76/62/532347662.db2.gz HAGAYZHXZZYJEA-SECBINFHSA-N 1 2 387.716 2.334 20 0 GEADLO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cccc(Br)n1 ZINC000188577386 532348703 /nfs/dbraw/zinc/34/87/03/532348703.db2.gz NVEQCRIVMAESLW-UHFFFAOYSA-N 1 2 392.257 2.397 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000188722074 532349397 /nfs/dbraw/zinc/34/93/97/532349397.db2.gz NGOJOLYKUXUESW-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@H+]1CCO ZINC000188722074 532349398 /nfs/dbraw/zinc/34/93/98/532349398.db2.gz NGOJOLYKUXUESW-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO O=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000189160051 532351125 /nfs/dbraw/zinc/35/11/25/532351125.db2.gz OQNBTTKIEMRAOP-LBPRGKRZSA-N 1 2 377.432 2.464 20 0 GEADLO O=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000189160051 532351126 /nfs/dbraw/zinc/35/11/26/532351126.db2.gz OQNBTTKIEMRAOP-LBPRGKRZSA-N 1 2 377.432 2.464 20 0 GEADLO Cc1cc(Br)c2c(c1)CN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)CC2 ZINC000189520488 532352557 /nfs/dbraw/zinc/35/25/57/532352557.db2.gz XSKXXNHDGKADEQ-AWEZNQCLSA-N 1 2 380.330 2.278 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000189983988 532354426 /nfs/dbraw/zinc/35/44/26/532354426.db2.gz RQRQKVMSYWJXNC-ZDUSSCGKSA-N 1 2 380.432 2.038 20 0 GEADLO CC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)CC1 ZINC000190426348 532356007 /nfs/dbraw/zinc/35/60/07/532356007.db2.gz MGYZLWRXVWHIGO-CYBMUJFWSA-N 1 2 376.906 2.080 20 0 GEADLO COc1cc[nH+]c(CN(C)CC(=O)Nc2ccc(Br)cn2)c1OC ZINC000190517118 532356503 /nfs/dbraw/zinc/35/65/03/532356503.db2.gz SESNJSMUOVWDFL-UHFFFAOYSA-N 1 2 395.257 2.327 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000190590215 532356992 /nfs/dbraw/zinc/35/69/92/532356992.db2.gz YWMCWGLPTSONNE-UHFFFAOYSA-N 1 2 392.258 2.252 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2OC)C1 ZINC000190833136 532358228 /nfs/dbraw/zinc/35/82/28/532358228.db2.gz LEXGSHDCIJALBK-AWEZNQCLSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2OC)C1 ZINC000190833136 532358229 /nfs/dbraw/zinc/35/82/29/532358229.db2.gz LEXGSHDCIJALBK-AWEZNQCLSA-N 1 2 390.933 2.221 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000191007428 532359210 /nfs/dbraw/zinc/35/92/10/532359210.db2.gz BVBAYWSEKJMBBL-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO COc1cc(C[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)c(Br)cc1O ZINC000647259390 532372652 /nfs/dbraw/zinc/37/26/52/532372652.db2.gz KWYAVJCVVQJBAU-UHFFFAOYSA-N 1 2 382.258 2.483 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000372147371 532374928 /nfs/dbraw/zinc/37/49/28/532374928.db2.gz WKFYYBWRGRYNKJ-CQSZACIVSA-N 1 2 391.269 2.276 20 0 GEADLO CC(C)(C(=O)NC[C@@H](CO)Cc1cccc(Br)c1)c1c[nH]c[nH+]1 ZINC000621973763 532374948 /nfs/dbraw/zinc/37/49/48/532374948.db2.gz XIDVLXMQOFXLOC-ZDUSSCGKSA-N 1 2 380.286 2.417 20 0 GEADLO Cn1cc[nH+]c1CNS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000557835783 532375399 /nfs/dbraw/zinc/37/53/99/532375399.db2.gz MGXIJKSHDIADTJ-UHFFFAOYSA-N 1 2 381.255 2.209 20 0 GEADLO NC(=O)c1cc(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)n[nH]1 ZINC000677491618 532375708 /nfs/dbraw/zinc/37/57/08/532375708.db2.gz ROIDHHBJKBGKHH-CQSZACIVSA-N 1 2 392.257 2.047 20 0 GEADLO CC(C)(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1c[nH]c[nH+]1 ZINC000621977136 532375796 /nfs/dbraw/zinc/37/57/96/532375796.db2.gz XIAOBOMUGAXHAA-ZDUSSCGKSA-N 1 2 391.269 2.372 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000294674277 532375877 /nfs/dbraw/zinc/37/58/77/532375877.db2.gz SLWMRBJUWZOOFM-CQSZACIVSA-N 1 2 375.372 2.312 20 0 GEADLO Cc1cnc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(I)c1 ZINC000425237939 532377468 /nfs/dbraw/zinc/37/74/68/532377468.db2.gz TYKZSBLSXZAGNA-CYBMUJFWSA-N 1 2 387.265 2.153 20 0 GEADLO Cn1cc(Br)cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c1=O ZINC000371918637 532361971 /nfs/dbraw/zinc/36/19/71/532361971.db2.gz ODQOULIFMBYZCY-HNNXBMFYSA-N 1 2 376.254 2.361 20 0 GEADLO Cn1cc(Br)cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c1=O ZINC000371918637 532361975 /nfs/dbraw/zinc/36/19/75/532361975.db2.gz ODQOULIFMBYZCY-HNNXBMFYSA-N 1 2 376.254 2.361 20 0 GEADLO O=C(CCOc1ccccc1Br)NCC1([NH+]2CCOCC2)CC1 ZINC000277753725 532362393 /nfs/dbraw/zinc/36/23/93/532362393.db2.gz CIEIQWMIGSEUQJ-UHFFFAOYSA-N 1 2 383.286 2.199 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000515389656 532362602 /nfs/dbraw/zinc/36/26/02/532362602.db2.gz YVZHHYWIIJYUOZ-XHDPSFHLSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000515389656 532362606 /nfs/dbraw/zinc/36/26/06/532362606.db2.gz YVZHHYWIIJYUOZ-XHDPSFHLSA-N 1 2 391.269 2.051 20 0 GEADLO O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000647015849 532363447 /nfs/dbraw/zinc/36/34/47/532363447.db2.gz VZELNRLXLCPYKK-GXTWGEPZSA-N 1 2 389.253 2.124 20 0 GEADLO O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000647015849 532363451 /nfs/dbraw/zinc/36/34/51/532363451.db2.gz VZELNRLXLCPYKK-GXTWGEPZSA-N 1 2 389.253 2.124 20 0 GEADLO COc1ccc(NC(=O)C[S@@](=O)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000462980863 532364098 /nfs/dbraw/zinc/36/40/98/532364098.db2.gz MAIQRTYQRRGJSN-VWLOTQADSA-N 1 2 375.372 2.341 20 0 GEADLO O=C(C[S@](=O)Cc1[nH+]ccn1CC(F)(F)F)NCc1ccc(F)cc1 ZINC000462997832 532364171 /nfs/dbraw/zinc/36/41/71/532364171.db2.gz UTQSCEPYAQEBSF-RUZDIDTESA-N 1 2 377.363 2.150 20 0 GEADLO C[C@@H](CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)S(C)(=O)=O ZINC000677162821 532366340 /nfs/dbraw/zinc/36/63/40/532366340.db2.gz IOMCLWJQJTWRCL-BBRMVZONSA-N 1 2 387.933 2.209 20 0 GEADLO COc1cc(NC(=O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c(OC)cc1Cl ZINC000463234764 532369461 /nfs/dbraw/zinc/36/94/61/532369461.db2.gz VNCBAJJYFODMJZ-SNVBAGLBSA-N 1 2 378.803 2.245 20 0 GEADLO COc1cc(NC(=O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c(OC)cc1Cl ZINC000463234764 532369471 /nfs/dbraw/zinc/36/94/71/532369471.db2.gz VNCBAJJYFODMJZ-SNVBAGLBSA-N 1 2 378.803 2.245 20 0 GEADLO C[C@H](Nc1cc[nH+]c2c(Cl)cccc12)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000557572663 532369657 /nfs/dbraw/zinc/36/96/57/532369657.db2.gz XHXJEPGTCSSCNP-RYUDHWBXSA-N 1 2 381.885 2.240 20 0 GEADLO COc1ccc(Br)cc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000557580178 532369946 /nfs/dbraw/zinc/36/99/46/532369946.db2.gz YTBFKHUBEKBYGI-JSGCOSHPSA-N 1 2 383.286 2.393 20 0 GEADLO Cc1nc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000278029617 532370610 /nfs/dbraw/zinc/37/06/10/532370610.db2.gz HXRIOAVVGFBAAW-LLVKDONJSA-N 1 2 392.257 2.220 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000425197487 532371274 /nfs/dbraw/zinc/37/12/74/532371274.db2.gz BSFGPQQXPJIKRH-UHFFFAOYSA-N 1 2 382.860 2.350 20 0 GEADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)C[C@@H]3CSCCS3)CC2)no1 ZINC000372534028 532395337 /nfs/dbraw/zinc/39/53/37/532395337.db2.gz UZFUBLKFROIDMQ-HUUCEWRRSA-N 1 2 384.571 2.430 20 0 GEADLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)C[C@@H]3CSCCS3)CC2)no1 ZINC000372534028 532395341 /nfs/dbraw/zinc/39/53/41/532395341.db2.gz UZFUBLKFROIDMQ-HUUCEWRRSA-N 1 2 384.571 2.430 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H]2C)cc(I)c1OC ZINC000590661456 532379307 /nfs/dbraw/zinc/37/93/07/532379307.db2.gz QPCJGDVIDLBNME-BXKDBHETSA-N 1 2 377.222 2.264 20 0 GEADLO COc1cc(C[N@H+]2CC[C@@H](O)[C@H]2C)cc(I)c1OC ZINC000590661456 532379312 /nfs/dbraw/zinc/37/93/12/532379312.db2.gz QPCJGDVIDLBNME-BXKDBHETSA-N 1 2 377.222 2.264 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000590636128 532379708 /nfs/dbraw/zinc/37/97/08/532379708.db2.gz HANXJBVSCDALQC-LRDDRELGSA-N 1 2 381.885 2.104 20 0 GEADLO CCOCCSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000516145069 532380564 /nfs/dbraw/zinc/38/05/64/532380564.db2.gz CNNUWPUEAMSCRH-UHFFFAOYSA-N 1 2 383.539 2.309 20 0 GEADLO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000622900745 532382574 /nfs/dbraw/zinc/38/25/74/532382574.db2.gz NQNUDBONSDOHLS-NSHDSACASA-N 1 2 378.947 2.305 20 0 GEADLO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000622900745 532382583 /nfs/dbraw/zinc/38/25/83/532382583.db2.gz NQNUDBONSDOHLS-NSHDSACASA-N 1 2 378.947 2.305 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1cc(Br)ccn1 ZINC000278514174 532383519 /nfs/dbraw/zinc/38/35/19/532383519.db2.gz BTEQNRXHVXOXIC-UHFFFAOYSA-N 1 2 392.257 2.397 20 0 GEADLO CC[C@@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)Oc1cccc(Cl)c1 ZINC000463843938 532383626 /nfs/dbraw/zinc/38/36/26/532383626.db2.gz AGPMCCHVSNDIKA-INIZCTEOSA-N 1 2 390.933 2.139 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000590794728 532386598 /nfs/dbraw/zinc/38/65/98/532386598.db2.gz GCEIQHLVYZITPF-GXTWGEPZSA-N 1 2 382.511 2.168 20 0 GEADLO CC(C)(C(=O)N[C@@H]1CCn2c[nH+]cc2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000623300190 532386631 /nfs/dbraw/zinc/38/66/31/532386631.db2.gz LSBQSPHUHFWPJZ-CYBMUJFWSA-N 1 2 381.885 2.220 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000590794731 532386683 /nfs/dbraw/zinc/38/66/83/532386683.db2.gz GCEIQHLVYZITPF-TZMCWYRMSA-N 1 2 382.511 2.168 20 0 GEADLO CCS(=O)(=O)N1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000558128951 532386702 /nfs/dbraw/zinc/38/67/02/532386702.db2.gz CVIKUQXIUWNAKI-CYBMUJFWSA-N 1 2 380.432 2.484 20 0 GEADLO CCS(=O)(=O)N1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000558128951 532386709 /nfs/dbraw/zinc/38/67/09/532386709.db2.gz CVIKUQXIUWNAKI-CYBMUJFWSA-N 1 2 380.432 2.484 20 0 GEADLO COc1ccc([C@@H](C)NC(=O)NC[C@@H]2COCC[N@@H+]2C)cc1Br ZINC000623353497 532387381 /nfs/dbraw/zinc/38/73/81/532387381.db2.gz NSNAXUQPNCQKGI-DGCLKSJQSA-N 1 2 386.290 2.149 20 0 GEADLO COc1ccc([C@@H](C)NC(=O)NC[C@@H]2COCC[N@H+]2C)cc1Br ZINC000623353497 532387388 /nfs/dbraw/zinc/38/73/88/532387388.db2.gz NSNAXUQPNCQKGI-DGCLKSJQSA-N 1 2 386.290 2.149 20 0 GEADLO CCC1(CC)CN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCS1(=O)=O ZINC000464008751 532388203 /nfs/dbraw/zinc/38/82/03/532388203.db2.gz WFTHJQPCMFPKCH-HNNXBMFYSA-N 1 2 387.571 2.350 20 0 GEADLO COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000590851328 532389578 /nfs/dbraw/zinc/38/95/78/532389578.db2.gz BKNZNYXBUVWPRH-KOLCDFICSA-N 1 2 385.262 2.373 20 0 GEADLO CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)cc1OC ZINC000372405375 532390637 /nfs/dbraw/zinc/39/06/37/532390637.db2.gz UZBAHSONTWKQIA-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)cc1OC ZINC000372405375 532390643 /nfs/dbraw/zinc/39/06/43/532390643.db2.gz UZBAHSONTWKQIA-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO CCCCC(=O)N1CSC[C@@H]1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000558416373 532390673 /nfs/dbraw/zinc/39/06/73/532390673.db2.gz QEHKBJAVSJHQDX-CQSZACIVSA-N 1 2 377.501 2.171 20 0 GEADLO Cn1nc(Br)cc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000192155497 532390986 /nfs/dbraw/zinc/39/09/86/532390986.db2.gz PZRUKGJERLAVQC-UHFFFAOYSA-N 1 2 381.249 2.280 20 0 GEADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc(C)cs2)c1 ZINC000623912713 532391426 /nfs/dbraw/zinc/39/14/26/532391426.db2.gz RGXXQVXRLOHHCD-NWDGAFQWSA-N 1 2 382.511 2.037 20 0 GEADLO O=c1ccc(N2CC[NH+](Cc3cc(Br)cc4c3OCC4)CC2)n[nH]1 ZINC000372528756 532395020 /nfs/dbraw/zinc/39/50/20/532395020.db2.gz GQFMWIAJCUAQHX-UHFFFAOYSA-N 1 2 391.269 2.202 20 0 GEADLO O=C(C[N@@H+]1CCc2cc(Br)ccc2C1)N1CCC2(CC1)OCCO2 ZINC000192247833 532398114 /nfs/dbraw/zinc/39/81/14/532398114.db2.gz MKIWKUVHDWDTSF-UHFFFAOYSA-N 1 2 395.297 2.173 20 0 GEADLO O=C(C[N@H+]1CCc2cc(Br)ccc2C1)N1CCC2(CC1)OCCO2 ZINC000192247833 532398122 /nfs/dbraw/zinc/39/81/22/532398122.db2.gz MKIWKUVHDWDTSF-UHFFFAOYSA-N 1 2 395.297 2.173 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1ccc(Cl)c(Br)c1 ZINC000192231152 532396362 /nfs/dbraw/zinc/39/63/62/532396362.db2.gz FHCZWQXFZIYNNC-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1ccc(Cl)c(Br)c1 ZINC000192231152 532396367 /nfs/dbraw/zinc/39/63/67/532396367.db2.gz FHCZWQXFZIYNNC-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc(Br)c3c(c1)OCCO3)C2 ZINC000372551595 532396846 /nfs/dbraw/zinc/39/68/46/532396846.db2.gz UYYCLQBZQUFKLN-GFCCVEGCSA-N 1 2 392.253 2.470 20 0 GEADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000678574743 532397441 /nfs/dbraw/zinc/39/74/41/532397441.db2.gz RLNGKNCSBWTLBZ-LBPRGKRZSA-N 1 2 379.869 2.043 20 0 GEADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000678574743 532397448 /nfs/dbraw/zinc/39/74/48/532397448.db2.gz RLNGKNCSBWTLBZ-LBPRGKRZSA-N 1 2 379.869 2.043 20 0 GEADLO CCOC1(C)CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000516954131 532399616 /nfs/dbraw/zinc/39/96/16/532399616.db2.gz WSTIHSJFMCGRES-UHFFFAOYSA-N 1 2 399.289 2.323 20 0 GEADLO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000591228595 532403754 /nfs/dbraw/zinc/40/37/54/532403754.db2.gz OKGIPZIXYLTHMA-NWDGAFQWSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000591228595 532403760 /nfs/dbraw/zinc/40/37/60/532403760.db2.gz OKGIPZIXYLTHMA-NWDGAFQWSA-N 1 2 389.265 2.192 20 0 GEADLO CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1OC ZINC000372744159 532405807 /nfs/dbraw/zinc/40/58/07/532405807.db2.gz SPOGGCXDLYMUCN-CYBMUJFWSA-N 1 2 376.906 2.390 20 0 GEADLO CCCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1OC ZINC000372744159 532405812 /nfs/dbraw/zinc/40/58/12/532405812.db2.gz SPOGGCXDLYMUCN-CYBMUJFWSA-N 1 2 376.906 2.390 20 0 GEADLO CCCc1csc(C[NH2+]C2CN(S(=O)(=O)c3ccc(OC)cc3)C2)n1 ZINC000426359910 532406329 /nfs/dbraw/zinc/40/63/29/532406329.db2.gz DJWROMBJJNYKIP-UHFFFAOYSA-N 1 2 381.523 2.267 20 0 GEADLO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427044593 532410494 /nfs/dbraw/zinc/41/04/94/532410494.db2.gz IJLOLPMWTABWIL-CYBMUJFWSA-N 1 2 391.269 2.332 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CCOCC(F)(F)F)CC1 ZINC000517263482 532411304 /nfs/dbraw/zinc/41/13/04/532411304.db2.gz NHRMKHIAEQPPPY-GFCCVEGCSA-N 1 2 386.461 2.335 20 0 GEADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1nccn1C ZINC000517243281 532411506 /nfs/dbraw/zinc/41/15/06/532411506.db2.gz CFSNCQDZXYEESA-SNVBAGLBSA-N 1 2 384.221 2.314 20 0 GEADLO CC[NH+](CC)CC(=O)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000372850500 532413148 /nfs/dbraw/zinc/41/31/48/532413148.db2.gz RATWFEVRXLYYOZ-ZDUSSCGKSA-N 1 2 389.315 2.126 20 0 GEADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@]2(CCOC2)O1 ZINC000280569853 532414910 /nfs/dbraw/zinc/41/49/10/532414910.db2.gz RWLONCFVQYDLMZ-MRXNPFEDSA-N 1 2 384.274 2.053 20 0 GEADLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@]2(CCOC2)O1 ZINC000280569853 532414900 /nfs/dbraw/zinc/41/49/00/532414900.db2.gz RWLONCFVQYDLMZ-MRXNPFEDSA-N 1 2 384.274 2.053 20 0 GEADLO COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000517425523 532416696 /nfs/dbraw/zinc/41/66/96/532416696.db2.gz NRQQOAMWKJCRPQ-STQMWFEESA-N 1 2 376.906 2.126 20 0 GEADLO Cc1cc(Br)cn2cc(CNc3cncc(-n4cncn4)n3)[nH+]c12 ZINC000680531161 532416752 /nfs/dbraw/zinc/41/67/52/532416752.db2.gz OPDPCFLPQWRFJQ-UHFFFAOYSA-N 1 2 385.229 2.388 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCC(C)(C)CO)[nH+]c12 ZINC000680519743 532416799 /nfs/dbraw/zinc/41/67/99/532416799.db2.gz WBQGPZDLXBQETA-UHFFFAOYSA-N 1 2 383.290 2.265 20 0 GEADLO CC[C@H](CC(F)(F)F)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000680624460 532418808 /nfs/dbraw/zinc/41/88/08/532418808.db2.gz QHGSAKOBUVURLB-GFCCVEGCSA-N 1 2 380.436 2.161 20 0 GEADLO O=S(=O)(c1cnc(Cl)c(Br)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000295196572 532418108 /nfs/dbraw/zinc/41/81/08/532418108.db2.gz MGHXZLPKIRUEEX-SNVBAGLBSA-N 1 2 394.722 2.356 20 0 GEADLO O=S(=O)(c1cnc(Cl)c(Br)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000295196572 532418109 /nfs/dbraw/zinc/41/81/09/532418109.db2.gz MGHXZLPKIRUEEX-SNVBAGLBSA-N 1 2 394.722 2.356 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000680637512 532419450 /nfs/dbraw/zinc/41/94/50/532419450.db2.gz KTTVYIIOFWNANI-CYBMUJFWSA-N 1 2 378.274 2.133 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000680637512 532419454 /nfs/dbraw/zinc/41/94/54/532419454.db2.gz KTTVYIIOFWNANI-CYBMUJFWSA-N 1 2 378.274 2.133 20 0 GEADLO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000372931944 532420436 /nfs/dbraw/zinc/42/04/36/532420436.db2.gz AXHSKKLQRAQFIT-HUUCEWRRSA-N 1 2 392.297 2.175 20 0 GEADLO O=C(NCCCc1nnc[nH]1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000517667524 532424365 /nfs/dbraw/zinc/42/43/65/532424365.db2.gz YMDADRLOIAWSDH-MRXNPFEDSA-N 1 2 392.301 2.453 20 0 GEADLO C[C@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000281600583 532426210 /nfs/dbraw/zinc/42/62/10/532426210.db2.gz AVYONENQKWRKSI-UWVGGRQHSA-N 1 2 392.258 2.296 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)C[C@H]1C ZINC000681263344 532426368 /nfs/dbraw/zinc/42/63/68/532426368.db2.gz QWRXNBLUNKKCBD-CQSZACIVSA-N 1 2 390.933 2.470 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCCOC)C[C@H]1C ZINC000681263344 532426374 /nfs/dbraw/zinc/42/63/74/532426374.db2.gz QWRXNBLUNKKCBD-CQSZACIVSA-N 1 2 390.933 2.470 20 0 GEADLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F)[NH+]1CCOCC1 ZINC000281600594 532426689 /nfs/dbraw/zinc/42/66/89/532426689.db2.gz AVYONENQKWRKSI-VHSXEESVSA-N 1 2 392.258 2.296 20 0 GEADLO O=C(CSCC(F)(F)F)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000373039660 532428113 /nfs/dbraw/zinc/42/81/13/532428113.db2.gz KCJCVMDNKRKLPS-UHFFFAOYSA-N 1 2 379.448 2.023 20 0 GEADLO Cc1cnn(CC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000561048883 532428315 /nfs/dbraw/zinc/42/83/15/532428315.db2.gz QQCPRABRGNZGIN-UHFFFAOYSA-N 1 2 392.257 2.473 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC000649868192 532428724 /nfs/dbraw/zinc/42/87/24/532428724.db2.gz FUMXVUASXKJUML-LLVKDONJSA-N 1 2 379.295 2.444 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)C[C@H]1C ZINC000649868192 532428735 /nfs/dbraw/zinc/42/87/35/532428735.db2.gz FUMXVUASXKJUML-LLVKDONJSA-N 1 2 379.295 2.444 20 0 GEADLO O=C1NC[C@]2(CCC[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)O1 ZINC000373028139 532427069 /nfs/dbraw/zinc/42/70/69/532427069.db2.gz KXDLKNADNUNTNQ-YOEHRIQHSA-N 1 2 394.269 2.129 20 0 GEADLO O=C1NC[C@]2(CCC[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)O1 ZINC000373028139 532427075 /nfs/dbraw/zinc/42/70/75/532427075.db2.gz KXDLKNADNUNTNQ-YOEHRIQHSA-N 1 2 394.269 2.129 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(=O)n1C ZINC000373063914 532430360 /nfs/dbraw/zinc/43/03/60/532430360.db2.gz RFZZZFSGSNOBKO-GFCCVEGCSA-N 1 2 393.285 2.210 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCc1ccc(F)c(Br)c1 ZINC000517890469 532431088 /nfs/dbraw/zinc/43/10/88/532431088.db2.gz SDPOCBQYQGZVMM-LBPRGKRZSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCc1ccc(F)c(Br)c1 ZINC000517890469 532431093 /nfs/dbraw/zinc/43/10/93/532431093.db2.gz SDPOCBQYQGZVMM-LBPRGKRZSA-N 1 2 388.281 2.151 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000650114548 532436492 /nfs/dbraw/zinc/43/64/92/532436492.db2.gz FLAJPPQTRACJLG-CQSZACIVSA-N 1 2 387.889 2.120 20 0 GEADLO CN(C)c1cc(NC(=O)C2(n3cnnn3)CCCCC2)[nH+]cc1Br ZINC000650078902 532433419 /nfs/dbraw/zinc/43/34/19/532433419.db2.gz GFXYPNFIICDKGJ-UHFFFAOYSA-N 1 2 394.277 2.195 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cccc(Br)c1O ZINC000518029997 532434282 /nfs/dbraw/zinc/43/42/82/532434282.db2.gz JJMSCBOTOQIKES-UHFFFAOYSA-N 1 2 392.253 2.316 20 0 GEADLO NC(=O)[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 ZINC000373152211 532434442 /nfs/dbraw/zinc/43/44/42/532434442.db2.gz OXPZYMCVTRIVSP-JKSUJKDBSA-N 1 2 388.265 2.371 20 0 GEADLO C[C@H](C(=O)Nc1ncccn1)[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000295328733 532434683 /nfs/dbraw/zinc/43/46/83/532434683.db2.gz MOXQCSKIIMRAEQ-RISCZKNCSA-N 1 2 379.258 2.232 20 0 GEADLO C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000295328733 532434690 /nfs/dbraw/zinc/43/46/90/532434690.db2.gz MOXQCSKIIMRAEQ-RISCZKNCSA-N 1 2 379.258 2.232 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1Cl ZINC000193983474 532440847 /nfs/dbraw/zinc/44/08/47/532440847.db2.gz OBDYULJBILIBKN-GHMZBOCLSA-N 1 2 397.324 2.078 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1Cl ZINC000193983474 532440852 /nfs/dbraw/zinc/44/08/52/532440852.db2.gz OBDYULJBILIBKN-GHMZBOCLSA-N 1 2 397.324 2.078 20 0 GEADLO CCOC(=O)c1c(NC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)sc(C)c1CC ZINC000467176147 532440937 /nfs/dbraw/zinc/44/09/37/532440937.db2.gz MYGHWAJTWLCJNH-FTJNGKRUSA-N 1 2 388.555 2.433 20 0 GEADLO CCOC(=O)c1c(NC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)sc(C)c1CC ZINC000467176147 532440941 /nfs/dbraw/zinc/44/09/41/532440941.db2.gz MYGHWAJTWLCJNH-FTJNGKRUSA-N 1 2 388.555 2.433 20 0 GEADLO CC[C@H](C)[C@@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(F)(F)F ZINC000373161481 532437358 /nfs/dbraw/zinc/43/73/58/532437358.db2.gz XXWMUIDBYHGMAX-GZBFAFLISA-N 1 2 383.480 2.471 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)COc3ccc(Cl)c(Cl)c3)CC2)cn1 ZINC000592064407 532438530 /nfs/dbraw/zinc/43/85/30/532438530.db2.gz LQDMUFSWKKGKFB-UHFFFAOYSA-N 1 2 383.279 2.450 20 0 GEADLO COc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1I ZINC000428001835 532439840 /nfs/dbraw/zinc/43/98/40/532439840.db2.gz TUYXQAHYDQSDNM-LLVKDONJSA-N 1 2 397.216 2.241 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)[C@@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000373377551 532445152 /nfs/dbraw/zinc/44/51/52/532445152.db2.gz LDBOYYBLFKXSOE-UHOFOFEASA-N 1 2 376.881 2.323 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)[C@@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000373377551 532445164 /nfs/dbraw/zinc/44/51/64/532445164.db2.gz LDBOYYBLFKXSOE-UHOFOFEASA-N 1 2 376.881 2.323 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682444843 532447240 /nfs/dbraw/zinc/44/72/40/532447240.db2.gz ZWFSCTDDZQBOOI-LBPRGKRZSA-N 1 2 391.269 2.305 20 0 GEADLO CC(=O)CSCC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000194422159 532448578 /nfs/dbraw/zinc/44/85/78/532448578.db2.gz OKBLSHCDLHJUPC-UHFFFAOYSA-N 1 2 383.945 2.291 20 0 GEADLO CC(C)[C@H]1C[C@@H](Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)CS1 ZINC000683111267 532455295 /nfs/dbraw/zinc/45/52/95/532455295.db2.gz SGXYICZBSMBXLH-HZPDHXFCSA-N 1 2 384.571 2.105 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cnn(-c3cccc(Br)c3)c2)CCO1 ZINC000592754347 532459693 /nfs/dbraw/zinc/45/96/93/532459693.db2.gz BSEBDHRNELTNLL-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cnn(-c3cccc(Br)c3)c2)CCO1 ZINC000592754347 532459697 /nfs/dbraw/zinc/45/96/97/532459697.db2.gz BSEBDHRNELTNLL-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)c1cnc3ccc(Br)cc3c1O)CC2 ZINC000683498664 532459869 /nfs/dbraw/zinc/45/98/69/532459869.db2.gz IENPIKXYMTYFGY-UHFFFAOYSA-N 1 2 387.237 2.452 20 0 GEADLO CS[C@H](C)CNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000519370237 532461366 /nfs/dbraw/zinc/46/13/66/532461366.db2.gz YYTWPGXCMXBCQI-KGLIPLIRSA-N 1 2 383.945 2.413 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)N2CC[NH+]3CCC2CC3)c(Cl)cc1Cl ZINC000373728617 532465257 /nfs/dbraw/zinc/46/52/57/532465257.db2.gz OUMZIYPXPZVCKH-UHFFFAOYSA-N 1 2 377.293 2.317 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)c1cccc(F)c1 ZINC000373738064 532467068 /nfs/dbraw/zinc/46/70/68/532467068.db2.gz VLBIDJDHUQQVCN-ZDUSSCGKSA-N 1 2 383.836 2.014 20 0 GEADLO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000468327966 532463069 /nfs/dbraw/zinc/46/30/69/532463069.db2.gz HVEOLPUCXUHZGT-JSGCOSHPSA-N 1 2 399.333 2.064 20 0 GEADLO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000468327966 532463075 /nfs/dbraw/zinc/46/30/75/532463075.db2.gz HVEOLPUCXUHZGT-JSGCOSHPSA-N 1 2 399.333 2.064 20 0 GEADLO CN(C)c1[nH+]cc(CNC(=O)c2cc(Br)cc3nc[nH]c32)n1C ZINC000282455066 532467978 /nfs/dbraw/zinc/46/79/78/532467978.db2.gz FRCFIUPDHYMDIW-UHFFFAOYSA-N 1 2 377.246 2.055 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000628474629 532469114 /nfs/dbraw/zinc/46/91/14/532469114.db2.gz IVAPKMHKGLGJBL-INIZCTEOSA-N 1 2 393.285 2.019 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000628474629 532469119 /nfs/dbraw/zinc/46/91/19/532469119.db2.gz IVAPKMHKGLGJBL-INIZCTEOSA-N 1 2 393.285 2.019 20 0 GEADLO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000628475482 532469205 /nfs/dbraw/zinc/46/92/05/532469205.db2.gz UBLSSDLMNVSJCQ-INIZCTEOSA-N 1 2 393.285 2.019 20 0 GEADLO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000628475482 532469211 /nfs/dbraw/zinc/46/92/11/532469211.db2.gz UBLSSDLMNVSJCQ-INIZCTEOSA-N 1 2 393.285 2.019 20 0 GEADLO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000684209218 532471065 /nfs/dbraw/zinc/47/10/65/532471065.db2.gz VPTSFMKBSDJELD-LSDHHAIUSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCOc2c(Br)cccc2C1 ZINC000684209218 532471071 /nfs/dbraw/zinc/47/10/71/532471071.db2.gz VPTSFMKBSDJELD-LSDHHAIUSA-N 1 2 386.286 2.200 20 0 GEADLO O=S(=O)(NCC(F)(F)F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000195242898 532473517 /nfs/dbraw/zinc/47/35/17/532473517.db2.gz BHPYTMQWBUGYGG-GOOCMWNKSA-N 1 2 377.432 2.168 20 0 GEADLO O=S(=O)(NCC(F)(F)F)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000195242898 532473521 /nfs/dbraw/zinc/47/35/21/532473521.db2.gz BHPYTMQWBUGYGG-GOOCMWNKSA-N 1 2 377.432 2.168 20 0 GEADLO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000373823813 532473370 /nfs/dbraw/zinc/47/33/70/532473370.db2.gz OXJWTOFIWCPQSV-KBPBESRZSA-N 1 2 397.299 2.352 20 0 GEADLO OC[C@@H]([NH2+]Cc1ncnn1CC(F)F)c1ccc(Br)c(F)c1 ZINC000429001258 532467618 /nfs/dbraw/zinc/46/76/18/532467618.db2.gz UNLMODMCUVCXFK-LLVKDONJSA-N 1 2 379.180 2.268 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000628917680 532477177 /nfs/dbraw/zinc/47/71/77/532477177.db2.gz CXFUVKMPEPVISL-MRXNPFEDSA-N 1 2 393.281 2.428 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000628917680 532477179 /nfs/dbraw/zinc/47/71/79/532477179.db2.gz CXFUVKMPEPVISL-MRXNPFEDSA-N 1 2 393.281 2.428 20 0 GEADLO CN1CCOC[C@H]1CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000628917582 532477201 /nfs/dbraw/zinc/47/72/01/532477201.db2.gz KKHLHBRCFVRWQK-SJORKVTESA-N 1 2 396.329 2.033 20 0 GEADLO COc1ccc(Br)c(CC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000468897253 532479960 /nfs/dbraw/zinc/47/99/60/532479960.db2.gz JIRISNVALKZUAN-ZDUSSCGKSA-N 1 2 385.302 2.179 20 0 GEADLO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)CC[S@]1=O ZINC000429569881 532480609 /nfs/dbraw/zinc/48/06/09/532480609.db2.gz NEORYCFWFQDVLM-BRZCCTTDSA-N 1 2 376.316 2.032 20 0 GEADLO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)CC[S@]1=O ZINC000429569881 532480615 /nfs/dbraw/zinc/48/06/15/532480615.db2.gz NEORYCFWFQDVLM-BRZCCTTDSA-N 1 2 376.316 2.032 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CC[NH2+]C[C@@H]1C(F)F ZINC000519830235 532480844 /nfs/dbraw/zinc/48/08/44/532480844.db2.gz WKSCSVSNNYDMQW-MRVPVSSYSA-N 1 2 376.759 2.169 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000374019492 532484416 /nfs/dbraw/zinc/48/44/16/532484416.db2.gz MXFPQCUEEAWISY-UHFFFAOYSA-N 1 2 388.295 2.043 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000374019492 532484421 /nfs/dbraw/zinc/48/44/21/532484421.db2.gz MXFPQCUEEAWISY-UHFFFAOYSA-N 1 2 388.295 2.043 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)NCCCCNc2cccc[nH+]2)s1 ZINC000468998041 532485030 /nfs/dbraw/zinc/48/50/30/532485030.db2.gz OWULASIBBJAONI-UHFFFAOYSA-N 1 2 382.511 2.238 20 0 GEADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374019399 532485198 /nfs/dbraw/zinc/48/51/98/532485198.db2.gz SLGOFRZIJLFWNZ-XNJGSVPQSA-N 1 2 398.301 2.441 20 0 GEADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374019399 532485206 /nfs/dbraw/zinc/48/52/06/532485206.db2.gz SLGOFRZIJLFWNZ-XNJGSVPQSA-N 1 2 398.301 2.441 20 0 GEADLO CCn1cc([C@@H](C)[NH2+]Cc2nnnn2-c2ccccc2Br)cn1 ZINC000295887649 532486122 /nfs/dbraw/zinc/48/61/22/532486122.db2.gz CMFNTTFQSVSGQD-LLVKDONJSA-N 1 2 376.262 2.492 20 0 GEADLO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1nc(N)nc(Cl)n1 ZINC000295915367 532487187 /nfs/dbraw/zinc/48/71/87/532487187.db2.gz FYPXEHOJUNBBAZ-LJUAHTATSA-N 1 2 381.267 2.383 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Br)[C@H]1C[N@H+](C)CCO1 ZINC000684913641 532487552 /nfs/dbraw/zinc/48/75/52/532487552.db2.gz MWFMRPMDESWYEZ-BXKDBHETSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Br)[C@H]1C[N@@H+](C)CCO1 ZINC000684913641 532487560 /nfs/dbraw/zinc/48/75/60/532487560.db2.gz MWFMRPMDESWYEZ-BXKDBHETSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@H]1CC[C@@H](CNC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)O1 ZINC000562926199 532488243 /nfs/dbraw/zinc/48/82/43/532488243.db2.gz WGXDKEWRDSVXGX-RYUDHWBXSA-N 1 2 399.289 2.370 20 0 GEADLO Cn1cc[nH+]c1CN1CCN(C(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000469085794 532489589 /nfs/dbraw/zinc/48/95/89/532489589.db2.gz SRXBDYFPVUGFGZ-UHFFFAOYSA-N 1 2 399.239 2.419 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(Br)cc2OC)CC1 ZINC000685454725 532493251 /nfs/dbraw/zinc/49/32/51/532493251.db2.gz RSESJJUHIZMVGL-UHFFFAOYSA-N 1 2 391.331 2.361 20 0 GEADLO O=S(=O)(CC[N@@H+]1CC[C@H](c2nnc[nH]2)C1)c1cc(Cl)ccc1Cl ZINC000563022478 532494526 /nfs/dbraw/zinc/49/45/26/532494526.db2.gz CVRNFEPUCRKICS-JTQLQIEISA-N 1 2 375.281 2.375 20 0 GEADLO O=S(=O)(CC[N@H+]1CC[C@H](c2nnc[nH]2)C1)c1cc(Cl)ccc1Cl ZINC000563022478 532494529 /nfs/dbraw/zinc/49/45/29/532494529.db2.gz CVRNFEPUCRKICS-JTQLQIEISA-N 1 2 375.281 2.375 20 0 GEADLO CCc1[nH]nc(C(=O)N(CCOC)CC[NH+](CC)CC)c1Br ZINC000469219814 532497298 /nfs/dbraw/zinc/49/72/98/532497298.db2.gz NNWJIQSEVHKQSQ-UHFFFAOYSA-N 1 2 375.311 2.165 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@H]3CCO)[nH+]c12 ZINC000430301337 532495468 /nfs/dbraw/zinc/49/54/68/532495468.db2.gz FLCOZWNGQZFLFD-CQSZACIVSA-N 1 2 381.274 2.462 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(Br)c2F)C[C@@H]1C ZINC000430281900 532495922 /nfs/dbraw/zinc/49/59/22/532495922.db2.gz YTTVLUVJRVWLJJ-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(Br)c2F)C[C@@H]1C ZINC000430281900 532495927 /nfs/dbraw/zinc/49/59/27/532495927.db2.gz YTTVLUVJRVWLJJ-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)Cc1ccc(Br)s1)C2 ZINC000652087537 532502832 /nfs/dbraw/zinc/50/28/32/532502832.db2.gz KHCYDWFOMGAZLM-LLVKDONJSA-N 1 2 398.326 2.224 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH+]1CC2(C1)CCOC2 ZINC000296200906 532505640 /nfs/dbraw/zinc/50/56/40/532505640.db2.gz ZDSQCJVPRUDOTB-GFCCVEGCSA-N 1 2 383.286 2.185 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000242840209 532519123 /nfs/dbraw/zinc/51/91/23/532519123.db2.gz FVOBZQAYQXKOPV-UHFFFAOYSA-N 1 2 387.311 2.157 20 0 GEADLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594462267 532508362 /nfs/dbraw/zinc/50/83/62/532508362.db2.gz BBUMBPJAVBEWJR-LBPRGKRZSA-N 1 2 392.880 2.371 20 0 GEADLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594462267 532508370 /nfs/dbraw/zinc/50/83/70/532508370.db2.gz BBUMBPJAVBEWJR-LBPRGKRZSA-N 1 2 392.880 2.371 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(Br)cc1Cl ZINC000282977566 532510148 /nfs/dbraw/zinc/51/01/48/532510148.db2.gz IZKASVNTZQKYBQ-AWEZNQCLSA-N 1 2 399.676 2.189 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(Br)cc1Cl ZINC000282977566 532510155 /nfs/dbraw/zinc/51/01/55/532510155.db2.gz IZKASVNTZQKYBQ-AWEZNQCLSA-N 1 2 399.676 2.189 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCOc2ccc(Br)cc21 ZINC000652401268 532510721 /nfs/dbraw/zinc/51/07/21/532510721.db2.gz WOEIBAIRYAGVPY-ZNMIVQPWSA-N 1 2 395.297 2.295 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCOc2ccc(Br)cc21 ZINC000652401268 532510726 /nfs/dbraw/zinc/51/07/26/532510726.db2.gz WOEIBAIRYAGVPY-ZNMIVQPWSA-N 1 2 395.297 2.295 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cc3c(cc1Cl)CCC3=O)C2 ZINC000374581472 532512028 /nfs/dbraw/zinc/51/20/28/532512028.db2.gz ATMLUGAQORJRLC-LBPRGKRZSA-N 1 2 379.869 2.267 20 0 GEADLO Cn1ncc(Br)c1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000296333067 532514126 /nfs/dbraw/zinc/51/41/26/532514126.db2.gz HUXZHRZOEBZTCD-UHFFFAOYSA-N 1 2 393.285 2.019 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(S(C)(=O)=O)c(Br)c1)CC2 ZINC000374691098 532514727 /nfs/dbraw/zinc/51/47/27/532514727.db2.gz CHJABOZNYYUTSQ-UHFFFAOYSA-N 1 2 398.282 2.014 20 0 GEADLO CC[N@@H+](CC(=O)OC)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000521586788 532516014 /nfs/dbraw/zinc/51/60/14/532516014.db2.gz WQJWTNUFGNGBIC-LLVKDONJSA-N 1 2 380.666 2.337 20 0 GEADLO CC[N@H+](CC(=O)OC)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000521586788 532516020 /nfs/dbraw/zinc/51/60/20/532516020.db2.gz WQJWTNUFGNGBIC-LLVKDONJSA-N 1 2 380.666 2.337 20 0 GEADLO NS(=O)(=O)c1sc(Cl)cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000283074002 532516592 /nfs/dbraw/zinc/51/65/92/532516592.db2.gz NMZMXIHOGIIOIB-UHFFFAOYSA-N 1 2 388.902 2.066 20 0 GEADLO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCc3c(Br)cccc3C2)C[C@H](C)O1 ZINC000520694996 532497643 /nfs/dbraw/zinc/49/76/43/532497643.db2.gz JVYVNRLKBNWDCR-LZWOXQAQSA-N 1 2 383.330 2.277 20 0 GEADLO C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCc3c(Br)cccc3C2)C[C@H](C)O1 ZINC000520694996 532497652 /nfs/dbraw/zinc/49/76/52/532497652.db2.gz JVYVNRLKBNWDCR-LZWOXQAQSA-N 1 2 383.330 2.277 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)c1Br ZINC000374386095 532501022 /nfs/dbraw/zinc/50/10/22/532501022.db2.gz GLQMLBSOMSLUDH-GFCCVEGCSA-N 1 2 378.274 2.477 20 0 GEADLO O=C1CN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c2cc[nH+]cc2N1 ZINC000470789717 532536104 /nfs/dbraw/zinc/53/61/04/532536104.db2.gz NCRNMVUFRNGWOV-UHFFFAOYSA-N 1 2 389.767 2.484 20 0 GEADLO CC(C)[C@H](NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)C(F)(F)F ZINC000470799690 532536240 /nfs/dbraw/zinc/53/62/40/532536240.db2.gz ZEMQIPWSVZIJCN-AWEZNQCLSA-N 1 2 380.432 2.339 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246272225 532537803 /nfs/dbraw/zinc/53/78/03/532537803.db2.gz HEQMQWQAWXWSIF-IRXDYDNUSA-N 1 2 396.329 2.162 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCCC[C@@H](SC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246481295 532538947 /nfs/dbraw/zinc/53/89/47/532538947.db2.gz GOXABNIWXUSXAT-JKSUJKDBSA-N 1 2 376.588 2.020 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCCC[C@@H](SC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246481295 532538950 /nfs/dbraw/zinc/53/89/50/532538950.db2.gz GOXABNIWXUSXAT-JKSUJKDBSA-N 1 2 376.588 2.020 20 0 GEADLO CCN1CCN(C(=O)Nc2ccnc(C)c2Br)C[C@H]1c1[nH]cc[nH+]1 ZINC000526098368 532540372 /nfs/dbraw/zinc/54/03/72/532540372.db2.gz DKXSHERKAHPELJ-ZDUSSCGKSA-N 1 2 393.289 2.208 20 0 GEADLO O=S(=O)(NC[C@H]1CC[NH2+]CC1(F)F)c1cccc2c(Cl)ccnc21 ZINC000564967366 532540498 /nfs/dbraw/zinc/54/04/98/532540498.db2.gz XRUSCLLHSPREKK-SNVBAGLBSA-N 1 2 375.828 2.411 20 0 GEADLO CCN1CCN([C@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000471083849 532542052 /nfs/dbraw/zinc/54/20/52/532542052.db2.gz YEZWROIYRHRHIR-CABCVRRESA-N 1 2 392.301 2.077 20 0 GEADLO CCOc1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc(Br)c1OC ZINC000375238410 532543923 /nfs/dbraw/zinc/54/39/23/532543923.db2.gz QTPVZJRZXPJDKO-AWEZNQCLSA-N 1 2 385.302 2.373 20 0 GEADLO CCOc1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc(Br)c1OC ZINC000375238410 532543931 /nfs/dbraw/zinc/54/39/31/532543931.db2.gz QTPVZJRZXPJDKO-AWEZNQCLSA-N 1 2 385.302 2.373 20 0 GEADLO CCOc1cc(CN2CC[N@@H+]3CCOC[C@@H]3C2)cc(Br)c1OC ZINC000375238410 532543939 /nfs/dbraw/zinc/54/39/39/532543939.db2.gz QTPVZJRZXPJDKO-AWEZNQCLSA-N 1 2 385.302 2.373 20 0 GEADLO CCOc1cc(CN2CC[N@H+]3CCOC[C@@H]3C2)cc(Br)c1OC ZINC000375238410 532543947 /nfs/dbraw/zinc/54/39/47/532543947.db2.gz QTPVZJRZXPJDKO-AWEZNQCLSA-N 1 2 385.302 2.373 20 0 GEADLO OC[C@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1ccc(Br)c(F)c1 ZINC000631141970 532544124 /nfs/dbraw/zinc/54/41/24/532544124.db2.gz IPTSNHVPOZIILQ-BZNIZROVSA-N 1 2 399.264 2.039 20 0 GEADLO COc1ccccc1CCNC(=O)C[NH2+]Cc1ccncc1Br ZINC000631125547 532544489 /nfs/dbraw/zinc/54/44/89/532544489.db2.gz GGKFICAIERSSKS-UHFFFAOYSA-N 1 2 378.270 2.301 20 0 GEADLO C[C@H]1C[C@@H](NC(=O)CS(=O)(=O)c2cccc(Br)c2)c2[nH+]ccn21 ZINC000654013441 532544535 /nfs/dbraw/zinc/54/45/35/532544535.db2.gz YJUAYLZHZWZVCS-GXFFZTMASA-N 1 2 398.282 2.242 20 0 GEADLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@H](C)O2 ZINC000565048299 532544569 /nfs/dbraw/zinc/54/45/69/532544569.db2.gz JYJPSTIQUXRXKN-IGCXYCKISA-N 1 2 388.917 2.146 20 0 GEADLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@H](C)O2 ZINC000565048299 532544571 /nfs/dbraw/zinc/54/45/71/532544571.db2.gz JYJPSTIQUXRXKN-IGCXYCKISA-N 1 2 388.917 2.146 20 0 GEADLO CCn1cc(C[N@@H+]2CCCN(S(=O)(=O)CCCC(F)(F)F)CC2)cn1 ZINC000374857092 532521215 /nfs/dbraw/zinc/52/12/15/532521215.db2.gz RJDDXLMGPOHUTN-UHFFFAOYSA-N 1 2 382.452 2.083 20 0 GEADLO CCn1cc(C[N@H+]2CCCN(S(=O)(=O)CCCC(F)(F)F)CC2)cn1 ZINC000374857092 532521221 /nfs/dbraw/zinc/52/12/21/532521221.db2.gz RJDDXLMGPOHUTN-UHFFFAOYSA-N 1 2 382.452 2.083 20 0 GEADLO O=C(N[C@H](c1nccs1)C(F)(F)F)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000296811904 532544862 /nfs/dbraw/zinc/54/48/62/532544862.db2.gz ICULYWYYQFBBST-NWDGAFQWSA-N 1 2 378.420 2.253 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000374867585 532521855 /nfs/dbraw/zinc/52/18/55/532521855.db2.gz DOQNZYWZVJVGGO-AWEZNQCLSA-N 1 2 396.285 2.225 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000374867585 532521861 /nfs/dbraw/zinc/52/18/61/532521861.db2.gz DOQNZYWZVJVGGO-AWEZNQCLSA-N 1 2 396.285 2.225 20 0 GEADLO CN(C)c1noc(C2CC[NH+](CC(=O)NCc3ccc(Cl)s3)CC2)n1 ZINC000374863177 532521981 /nfs/dbraw/zinc/52/19/81/532521981.db2.gz NLHSSUYDUAIIAV-UHFFFAOYSA-N 1 2 383.905 2.346 20 0 GEADLO O=C(NCC(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1)OCC(F)(F)F ZINC000374882005 532522368 /nfs/dbraw/zinc/52/23/68/532522368.db2.gz VHABGZSEMFXVBK-LBPRGKRZSA-N 1 2 379.766 2.101 20 0 GEADLO C[C@@H](Cc1ccccc1Br)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000470180428 532522928 /nfs/dbraw/zinc/52/29/28/532522928.db2.gz NAXFTNNEKQEPPX-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](Cc1ccccc1Br)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000470180428 532522935 /nfs/dbraw/zinc/52/29/35/532522935.db2.gz NAXFTNNEKQEPPX-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522313846 532523428 /nfs/dbraw/zinc/52/34/28/532523428.db2.gz LRTKSRIPZZXXNU-NEPJUHHUSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522313846 532523435 /nfs/dbraw/zinc/52/34/35/532523435.db2.gz LRTKSRIPZZXXNU-NEPJUHHUSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000245707614 532524047 /nfs/dbraw/zinc/52/40/47/532524047.db2.gz YAJMOKFVEDRCFK-QBIMZIAESA-N 1 2 397.313 2.194 20 0 GEADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000245707614 532524052 /nfs/dbraw/zinc/52/40/52/532524052.db2.gz YAJMOKFVEDRCFK-QBIMZIAESA-N 1 2 397.313 2.194 20 0 GEADLO O=C(CCCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(Br)cc1 ZINC000652892307 532525565 /nfs/dbraw/zinc/52/55/65/532525565.db2.gz HURZJOHDNCMLPW-MRXNPFEDSA-N 1 2 395.297 2.080 20 0 GEADLO O=C(CCCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccc(Br)cc1 ZINC000652892307 532525569 /nfs/dbraw/zinc/52/55/69/532525569.db2.gz HURZJOHDNCMLPW-MRXNPFEDSA-N 1 2 395.297 2.080 20 0 GEADLO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283213639 532526839 /nfs/dbraw/zinc/52/68/39/532526839.db2.gz JGQJALSLGPPUQD-UHFFFAOYSA-N 1 2 393.285 2.085 20 0 GEADLO O=S1(=O)CC[C@@H]([NH+]2CCN(CCc3c(Cl)cccc3Cl)CC2)C1 ZINC000296547108 532527252 /nfs/dbraw/zinc/52/72/52/532527252.db2.gz OKARXJKGZJOHHY-CYBMUJFWSA-N 1 2 377.337 2.341 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)c2[nH]nc3ccc(Br)cc32)CCO1 ZINC000470457056 532528844 /nfs/dbraw/zinc/52/88/44/532528844.db2.gz XCVOJOQUIYPGMD-GFCCVEGCSA-N 1 2 381.274 2.166 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2[nH]nc3ccc(Br)cc32)CCO1 ZINC000470457056 532528849 /nfs/dbraw/zinc/52/88/49/532528849.db2.gz XCVOJOQUIYPGMD-GFCCVEGCSA-N 1 2 381.274 2.166 20 0 GEADLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246089674 532530479 /nfs/dbraw/zinc/53/04/79/532530479.db2.gz NPXJHPCLEMFCQR-BXUZGUMPSA-N 1 2 382.810 2.421 20 0 GEADLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246089674 532530483 /nfs/dbraw/zinc/53/04/83/532530483.db2.gz NPXJHPCLEMFCQR-BXUZGUMPSA-N 1 2 382.810 2.421 20 0 GEADLO O=C(c1cc(Cn2cc(Br)cn2)on1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375066985 532532011 /nfs/dbraw/zinc/53/20/11/532532011.db2.gz VCGPWTTXPFGKST-ZDUSSCGKSA-N 1 2 391.229 2.382 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC3CCCC3)[nH+]c12 ZINC000283324522 532533147 /nfs/dbraw/zinc/53/31/47/532533147.db2.gz QWWLPKPOJVZDQF-UHFFFAOYSA-N 1 2 379.258 2.080 20 0 GEADLO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ncc(Br)cn1 ZINC000432982143 532552258 /nfs/dbraw/zinc/55/22/58/532552258.db2.gz BJSYCACOUSKBIJ-NSHDSACASA-N 1 2 399.314 2.340 20 0 GEADLO C[C@@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)c1ncc(Br)cn1 ZINC000433003825 532553861 /nfs/dbraw/zinc/55/38/61/532553861.db2.gz BMJJAVUPORPUOF-LLVKDONJSA-N 1 2 397.248 2.224 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)NCc2ccc[nH+]c2N(C)C)s1 ZINC000471589319 532553984 /nfs/dbraw/zinc/55/39/84/532553984.db2.gz FSRSBQDDEBACCD-UHFFFAOYSA-N 1 2 382.511 2.002 20 0 GEADLO C[C@@]1(Br)C[C@@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000527774917 532555401 /nfs/dbraw/zinc/55/54/01/532555401.db2.gz VRZSKMCURUTYPE-CRAIPNDOSA-N 1 2 394.313 2.379 20 0 GEADLO C[C@]1(Br)C[C@@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000527774919 532555805 /nfs/dbraw/zinc/55/58/05/532555805.db2.gz VRZSKMCURUTYPE-QAPCUYQASA-N 1 2 394.313 2.379 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)C(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000296947628 532556554 /nfs/dbraw/zinc/55/65/54/532556554.db2.gz OQLIULDOSCVQAS-VFQAQYNWSA-N 1 2 380.242 2.386 20 0 GEADLO CC(C)(C(=O)N1CC[NH+](CCO)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000527879162 532557375 /nfs/dbraw/zinc/55/73/75/532557375.db2.gz GPIAIZNWQYYKOE-HNNXBMFYSA-N 1 2 375.296 2.190 20 0 GEADLO C[C@@H]1C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC[S@](=O)C1 ZINC000433244579 532558398 /nfs/dbraw/zinc/55/83/98/532558398.db2.gz GCWSGRNDDKSSAD-WJFWATLMSA-N 1 2 394.306 2.028 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC[S@](=O)C1 ZINC000433244579 532558411 /nfs/dbraw/zinc/55/84/11/532558411.db2.gz GCWSGRNDDKSSAD-WJFWATLMSA-N 1 2 394.306 2.028 20 0 GEADLO COc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc(I)c1OC ZINC000471801389 532558520 /nfs/dbraw/zinc/55/85/20/532558520.db2.gz ZXBYPTVHFPYASG-KOLCDFICSA-N 1 2 377.222 2.264 20 0 GEADLO COc1cc(C[N@H+]2C[C@@H](O)C[C@H]2C)cc(I)c1OC ZINC000471801389 532558521 /nfs/dbraw/zinc/55/85/21/532558521.db2.gz ZXBYPTVHFPYASG-KOLCDFICSA-N 1 2 377.222 2.264 20 0 GEADLO C[C@@H]1CC[N@H+](CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)CCS1 ZINC000249021745 532559635 /nfs/dbraw/zinc/55/96/35/532559635.db2.gz KVDJHYUITXNPDD-WBVHZDCISA-N 1 2 388.599 2.162 20 0 GEADLO C[C@@H]1CC[N@@H+](CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)CCS1 ZINC000249021745 532559640 /nfs/dbraw/zinc/55/96/40/532559640.db2.gz KVDJHYUITXNPDD-WBVHZDCISA-N 1 2 388.599 2.162 20 0 GEADLO CCCN1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1=O ZINC000433263384 532561080 /nfs/dbraw/zinc/56/10/80/532561080.db2.gz VFJXBGHGMXSRNY-MRXNPFEDSA-N 1 2 394.313 2.499 20 0 GEADLO CCCN1CCC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1=O ZINC000433263384 532561085 /nfs/dbraw/zinc/56/10/85/532561085.db2.gz VFJXBGHGMXSRNY-MRXNPFEDSA-N 1 2 394.313 2.499 20 0 GEADLO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000631773340 532561217 /nfs/dbraw/zinc/56/12/17/532561217.db2.gz JVXIQLIJSXRAOP-NRSFXHEJSA-N 1 2 391.309 2.268 20 0 GEADLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCCSC(F)(F)F ZINC000283856676 532562582 /nfs/dbraw/zinc/56/25/82/532562582.db2.gz BJKWNFYYWNCWGQ-LLVKDONJSA-N 1 2 378.420 2.326 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](C)c2[nH+]ccn2C)c1F ZINC000595384566 532562882 /nfs/dbraw/zinc/56/28/82/532562882.db2.gz XXFSUQYRROTXMN-QMMMGPOBSA-N 1 2 375.809 2.039 20 0 GEADLO COc1cc(C[NH2+]Cc2ncc(C(F)(F)F)s2)ccc1OCC(N)=O ZINC000433305989 532563039 /nfs/dbraw/zinc/56/30/39/532563039.db2.gz RISXABLKCMUYTP-UHFFFAOYSA-N 1 2 375.372 2.324 20 0 GEADLO CCCN(Cc1ccccc1Br)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283888548 532563449 /nfs/dbraw/zinc/56/34/49/532563449.db2.gz KGPUZWUWCXQWDY-UHFFFAOYSA-N 1 2 393.285 2.201 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNc1ccc(CO)c[nH+]1 ZINC000297065753 532564989 /nfs/dbraw/zinc/56/49/89/532564989.db2.gz ZHUVMINMOHCPIK-NSHDSACASA-N 1 2 394.269 2.462 20 0 GEADLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Br)cnc1OC ZINC000595442628 532565300 /nfs/dbraw/zinc/56/53/00/532565300.db2.gz VVCTWLAVSUMYMY-ZIAGYGMSSA-N 1 2 387.274 2.395 20 0 GEADLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Br)cnc1OC ZINC000595442628 532565305 /nfs/dbraw/zinc/56/53/05/532565305.db2.gz VVCTWLAVSUMYMY-ZIAGYGMSSA-N 1 2 387.274 2.395 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N(C)Cc3ccnn3C)[nH+]c12 ZINC000472176798 532567207 /nfs/dbraw/zinc/56/72/07/532567207.db2.gz XADXEJMGZOIMJF-UHFFFAOYSA-N 1 2 391.273 2.480 20 0 GEADLO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000283938286 532568351 /nfs/dbraw/zinc/56/83/51/532568351.db2.gz BCJACFOKLRVJTG-ZDUSSCGKSA-N 1 2 390.285 2.388 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000375618938 532569488 /nfs/dbraw/zinc/56/94/88/532569488.db2.gz QITONZNVZHNGHO-WFASDCNBSA-N 1 2 376.881 2.104 20 0 GEADLO COc1ncc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000654052047 532546070 /nfs/dbraw/zinc/54/60/70/532546070.db2.gz RQLQRHDYLCGSRO-UTUOFQBUSA-N 1 2 386.290 2.080 20 0 GEADLO COc1ncc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000654052047 532546075 /nfs/dbraw/zinc/54/60/75/532546075.db2.gz RQLQRHDYLCGSRO-UTUOFQBUSA-N 1 2 386.290 2.080 20 0 GEADLO C[C@@H]1CC[S@](=O)CCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000432860152 532546486 /nfs/dbraw/zinc/54/64/86/532546486.db2.gz QUTNVOOVPFCOPG-BGJPBQGDSA-N 1 2 399.314 2.149 20 0 GEADLO C[C@@H]1CC[S@@](=O)CCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000432860157 532546861 /nfs/dbraw/zinc/54/68/61/532546861.db2.gz QUTNVOOVPFCOPG-QVQLBTGDSA-N 1 2 399.314 2.149 20 0 GEADLO COc1cc(C)c(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000432873689 532547672 /nfs/dbraw/zinc/54/76/72/532547672.db2.gz RVGCPMJHIPUQPW-KBPBESRZSA-N 1 2 390.933 2.435 20 0 GEADLO O=C(NCCc1cn2c(n1)SCC2)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000527288067 532548698 /nfs/dbraw/zinc/54/86/98/532548698.db2.gz LWAYXEMSUCMTKD-UHFFFAOYSA-N 1 2 376.873 2.332 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000283637654 532549558 /nfs/dbraw/zinc/54/95/58/532549558.db2.gz IQMBRKGMGQUKIH-HNNXBMFYSA-N 1 2 389.949 2.455 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2c[nH]c(=O)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000632143764 532582521 /nfs/dbraw/zinc/58/25/21/532582521.db2.gz ZTCZSWKUFJRILN-AAEUAGOBSA-N 1 2 391.877 2.365 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)c2c[nH]c(=O)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000632143764 532582523 /nfs/dbraw/zinc/58/25/23/532582523.db2.gz ZTCZSWKUFJRILN-AAEUAGOBSA-N 1 2 391.877 2.365 20 0 GEADLO COC(=O)[C@@H](NCC(C)(C)[NH+]1CCOCC1)c1ccccc1Br ZINC000596041962 532582868 /nfs/dbraw/zinc/58/28/68/532582868.db2.gz OYIHFZAPZYHCHL-HNNXBMFYSA-N 1 2 385.302 2.364 20 0 GEADLO OC[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)c1ccsc1 ZINC000473172146 532585264 /nfs/dbraw/zinc/58/52/64/532585264.db2.gz STDMWYURBSEGHU-LBPRGKRZSA-N 1 2 380.271 2.310 20 0 GEADLO COCC[N@@H+](Cc1sccc1Br)C[C@H]1CCS(=O)(=O)C1 ZINC000434503430 532595603 /nfs/dbraw/zinc/59/56/03/532595603.db2.gz OZKDUFRPKRRTOC-LLVKDONJSA-N 1 2 382.345 2.394 20 0 GEADLO COCC[N@H+](Cc1sccc1Br)C[C@H]1CCS(=O)(=O)C1 ZINC000434503430 532595606 /nfs/dbraw/zinc/59/56/06/532595606.db2.gz OZKDUFRPKRRTOC-LLVKDONJSA-N 1 2 382.345 2.394 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(c2cc(C(F)(F)F)c(Br)cn2)CC1 ZINC000566006691 532587529 /nfs/dbraw/zinc/58/75/29/532587529.db2.gz MRIFQEPGDDNTEL-UHFFFAOYSA-N 1 2 395.223 2.249 20 0 GEADLO O=c1[nH]cc(S(=O)(=O)NCc2[nH+]ccn2CCCc2ccccc2)s1 ZINC000632190499 532589128 /nfs/dbraw/zinc/58/91/28/532589128.db2.gz WUAFKHRMLJTCBN-UHFFFAOYSA-N 1 2 378.479 2.157 20 0 GEADLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@]2(CCCOC2)O1 ZINC000376016717 532592048 /nfs/dbraw/zinc/59/20/48/532592048.db2.gz YLOARANYXXRCHW-PBHICJAKSA-N 1 2 398.301 2.443 20 0 GEADLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@]2(CCCOC2)O1 ZINC000376016717 532592055 /nfs/dbraw/zinc/59/20/55/532592055.db2.gz YLOARANYXXRCHW-PBHICJAKSA-N 1 2 398.301 2.443 20 0 GEADLO COC[C@@H]1C[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H](C)O1 ZINC000251902632 532572138 /nfs/dbraw/zinc/57/21/38/532572138.db2.gz RCLMRCYCRPEKAR-YPMHNXCESA-N 1 2 391.331 2.205 20 0 GEADLO COC[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H](C)O1 ZINC000251902632 532572141 /nfs/dbraw/zinc/57/21/41/532572141.db2.gz RCLMRCYCRPEKAR-YPMHNXCESA-N 1 2 391.331 2.205 20 0 GEADLO COC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000251857220 532572599 /nfs/dbraw/zinc/57/25/99/532572599.db2.gz NXPLCBGTTSJHJR-XEZPLFJOSA-N 1 2 385.302 2.362 20 0 GEADLO COC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000251857220 532572604 /nfs/dbraw/zinc/57/26/04/532572604.db2.gz NXPLCBGTTSJHJR-XEZPLFJOSA-N 1 2 385.302 2.362 20 0 GEADLO C[C@]12COC[C@H]1C[N@H+](CC(=O)Nc1ccccc1I)C2 ZINC000595759426 532573282 /nfs/dbraw/zinc/57/32/82/532573282.db2.gz PYZDPWGVSDPYNZ-ABAIWWIYSA-N 1 2 386.233 2.198 20 0 GEADLO C[C@]12COC[C@H]1C[N@@H+](CC(=O)Nc1ccccc1I)C2 ZINC000595759426 532573289 /nfs/dbraw/zinc/57/32/89/532573289.db2.gz PYZDPWGVSDPYNZ-ABAIWWIYSA-N 1 2 386.233 2.198 20 0 GEADLO Cc1csc([C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C(F)(F)F)n1 ZINC000297217210 532574009 /nfs/dbraw/zinc/57/40/09/532574009.db2.gz VWNCRIKEVLUBEO-SRVKXCTJSA-N 1 2 380.436 2.463 20 0 GEADLO Cn1ncc2c1nc(NCCc1c[nH]c3cccc(Br)c13)[nH+]c2N ZINC000565748319 532574109 /nfs/dbraw/zinc/57/41/09/532574109.db2.gz JCZUNJXOWSOYJS-UHFFFAOYSA-N 1 2 386.257 2.844 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000595800184 532574705 /nfs/dbraw/zinc/57/47/05/532574705.db2.gz HSBVUCRGGAWJQL-GUYCJALGSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000595800184 532574713 /nfs/dbraw/zinc/57/47/13/532574713.db2.gz HSBVUCRGGAWJQL-GUYCJALGSA-N 1 2 392.279 2.387 20 0 GEADLO CO[C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000654890492 532574883 /nfs/dbraw/zinc/57/48/83/532574883.db2.gz ZPPAICHAIGTBHH-CZUORRHYSA-N 1 2 383.286 2.070 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000375696961 532575562 /nfs/dbraw/zinc/57/55/62/532575562.db2.gz KTOZWIQCCNGDBG-LBPRGKRZSA-N 1 2 390.531 2.004 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000375696961 532575566 /nfs/dbraw/zinc/57/55/66/532575566.db2.gz KTOZWIQCCNGDBG-LBPRGKRZSA-N 1 2 390.531 2.004 20 0 GEADLO Cn1ccnc1[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(Cl)cc1 ZINC000565757875 532575875 /nfs/dbraw/zinc/57/58/75/532575875.db2.gz RUJZYHXLMNLAGO-HNNXBMFYSA-N 1 2 384.933 2.470 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000297312871 532581774 /nfs/dbraw/zinc/58/17/74/532581774.db2.gz YOOXKSMYJHQXGN-OAHLLOKOSA-N 1 2 385.302 2.052 20 0 GEADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(Cl)c1Cl ZINC000262002465 532582232 /nfs/dbraw/zinc/58/22/32/532582232.db2.gz LLVQMNBBGYPEPX-LLVKDONJSA-N 1 2 375.281 2.062 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000632492906 532613770 /nfs/dbraw/zinc/61/37/70/532613770.db2.gz PVUULNROVGKGGA-UHFFFAOYSA-N 1 2 377.535 2.284 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000632492906 532613776 /nfs/dbraw/zinc/61/37/76/532613776.db2.gz PVUULNROVGKGGA-UHFFFAOYSA-N 1 2 377.535 2.284 20 0 GEADLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(Br)cc3F)C2)CC1 ZINC000597168366 532614627 /nfs/dbraw/zinc/61/46/27/532614627.db2.gz YGLKFOSIDGHPIP-INIZCTEOSA-N 1 2 398.320 2.369 20 0 GEADLO CN1CCC[C@H]([NH2+]Cc2ncc(Br)cc2Br)C1=O ZINC000474357975 532614783 /nfs/dbraw/zinc/61/47/83/532614783.db2.gz VWSPZYFDTKXHGY-JTQLQIEISA-N 1 2 377.080 2.317 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)c2cccc(Cl)c2F)C[C@@H]1[NH+]1CCOCC1 ZINC000632500928 532615134 /nfs/dbraw/zinc/61/51/34/532615134.db2.gz GKAGYMUVCPSSHQ-KBPBESRZSA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1cccc(Cl)c1F ZINC000632500930 532616125 /nfs/dbraw/zinc/61/61/25/532616125.db2.gz GKAGYMUVCPSSHQ-UONOGXRCSA-N 1 2 376.881 2.257 20 0 GEADLO CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000632501635 532616149 /nfs/dbraw/zinc/61/61/49/532616149.db2.gz FENMBAVQOKFRFL-KBPBESRZSA-N 1 2 382.517 2.477 20 0 GEADLO CCCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000656366132 532616673 /nfs/dbraw/zinc/61/66/73/532616673.db2.gz YIFQSQYOIUNXEU-UHFFFAOYSA-N 1 2 386.499 2.021 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2ccc3ncsc3c2)C[C@H]1[NH+]1CCOCC1 ZINC000632502557 532617567 /nfs/dbraw/zinc/61/75/67/532617567.db2.gz WUJAUFAPSWQTMR-HZPDHXFCSA-N 1 2 381.523 2.074 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)C[C@@H]2CCCCC2(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000632503113 532617642 /nfs/dbraw/zinc/61/76/42/532617642.db2.gz VJWPZRQVNZQKCC-ZNMIVQPWSA-N 1 2 380.501 2.231 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(F)c1 ZINC000530429807 532619569 /nfs/dbraw/zinc/61/95/69/532619569.db2.gz HRIOZAVOXMYVBT-AWEZNQCLSA-N 1 2 386.470 2.255 20 0 GEADLO COc1ccc(Br)cc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284783405 532620020 /nfs/dbraw/zinc/62/00/20/532620020.db2.gz KRGLNJWABCABCO-DZGCQCFKSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(Br)cc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284783405 532620025 /nfs/dbraw/zinc/62/00/25/532620025.db2.gz KRGLNJWABCABCO-DZGCQCFKSA-N 1 2 384.274 2.395 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)C1 ZINC000376135269 532596818 /nfs/dbraw/zinc/59/68/18/532596818.db2.gz QRQOBMSFXQUJPL-KYJSFNMBSA-N 1 2 379.298 2.100 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)C1 ZINC000376135269 532596825 /nfs/dbraw/zinc/59/68/25/532596825.db2.gz QRQOBMSFXQUJPL-KYJSFNMBSA-N 1 2 379.298 2.100 20 0 GEADLO CSc1ccc([C@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)[NH+](C)C)cc1 ZINC000655641669 532598428 /nfs/dbraw/zinc/59/84/28/532598428.db2.gz KCDSKPRCYCTLRS-HNNXBMFYSA-N 1 2 387.571 2.134 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)c(F)c1F ZINC000529454003 532603492 /nfs/dbraw/zinc/60/34/92/532603492.db2.gz FNFDKSGOTKCAPS-AOOOYVTPSA-N 1 2 375.213 2.320 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)c(F)c1F ZINC000529454003 532603496 /nfs/dbraw/zinc/60/34/96/532603496.db2.gz FNFDKSGOTKCAPS-AOOOYVTPSA-N 1 2 375.213 2.320 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000474034268 532605005 /nfs/dbraw/zinc/60/50/05/532605005.db2.gz PFUPODWFINAMOF-BXUZGUMPSA-N 1 2 376.284 2.047 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2sc3ncccc3c2Cl)CC1 ZINC000529485297 532605243 /nfs/dbraw/zinc/60/52/43/532605243.db2.gz JMYJTQIRMKNNQO-UHFFFAOYSA-N 1 2 383.901 2.369 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC(C[NH+]2CCOCC2)C1 ZINC000632355421 532605235 /nfs/dbraw/zinc/60/52/35/532605235.db2.gz IVWTXCHYTSDOER-UHFFFAOYSA-N 1 2 379.309 2.087 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCOc3cc[nH+]cc32)c(Br)c1 ZINC000530484029 532622279 /nfs/dbraw/zinc/62/22/79/532622279.db2.gz VTVLXABJJUOLRM-UHFFFAOYSA-N 1 2 385.239 2.440 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@@H](NS(=O)(=O)CCCCF)c2ccc(Cl)cc2)C1 ZINC000376326809 532606558 /nfs/dbraw/zinc/60/65/58/532606558.db2.gz DESGMNXGSOASIG-CVEARBPZSA-N 1 2 378.897 2.381 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@@H](NS(=O)(=O)CCCCF)c2ccc(Cl)cc2)C1 ZINC000376326809 532606564 /nfs/dbraw/zinc/60/65/64/532606564.db2.gz DESGMNXGSOASIG-CVEARBPZSA-N 1 2 378.897 2.381 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ncc(Br)cc2F)C1 ZINC000529526182 532606580 /nfs/dbraw/zinc/60/65/80/532606580.db2.gz IBVGUUWKZGKGFG-NWDGAFQWSA-N 1 2 388.281 2.346 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ncc(Br)cc2F)C1 ZINC000529526182 532606586 /nfs/dbraw/zinc/60/65/86/532606586.db2.gz IBVGUUWKZGKGFG-NWDGAFQWSA-N 1 2 388.281 2.346 20 0 GEADLO CCC[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)CC(C)(C)O ZINC000474157117 532608143 /nfs/dbraw/zinc/60/81/43/532608143.db2.gz ACKRMUNKKVFCGK-UHFFFAOYSA-N 1 2 376.906 2.165 20 0 GEADLO CCC[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)CC(C)(C)O ZINC000474157117 532608148 /nfs/dbraw/zinc/60/81/48/532608148.db2.gz ACKRMUNKKVFCGK-UHFFFAOYSA-N 1 2 376.906 2.165 20 0 GEADLO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263047809 532612332 /nfs/dbraw/zinc/61/23/32/532612332.db2.gz UDPUJJHPHVGUSN-ZDUSSCGKSA-N 1 2 392.233 2.275 20 0 GEADLO CCOc1c(Br)cc(C[NH2+]Cc2nnc3n2CCOC3)cc1OC ZINC000376457396 532613254 /nfs/dbraw/zinc/61/32/54/532613254.db2.gz FWCIWZOAJBJJIQ-UHFFFAOYSA-N 1 2 397.273 2.268 20 0 GEADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1C[C@@H](O)COc1cccc(Br)c1 ZINC000376648645 532623701 /nfs/dbraw/zinc/62/37/01/532623701.db2.gz KMHNDDHYHJFSRK-MTNMJMNLSA-N 1 2 376.316 2.032 20 0 GEADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1C[C@@H](O)COc1cccc(Br)c1 ZINC000376648645 532623706 /nfs/dbraw/zinc/62/37/06/532623706.db2.gz KMHNDDHYHJFSRK-MTNMJMNLSA-N 1 2 376.316 2.032 20 0 GEADLO CN1C[C@@H]([N@H+](C)Cc2nc(Cc3cccc(Br)c3)no2)CCC1=O ZINC000566745522 532625770 /nfs/dbraw/zinc/62/57/70/532625770.db2.gz AZSQQXHSCBGWDV-AWEZNQCLSA-N 1 2 393.285 2.476 20 0 GEADLO CN1C[C@@H]([N@@H+](C)Cc2nc(Cc3cccc(Br)c3)no2)CCC1=O ZINC000566745522 532625774 /nfs/dbraw/zinc/62/57/74/532625774.db2.gz AZSQQXHSCBGWDV-AWEZNQCLSA-N 1 2 393.285 2.476 20 0 GEADLO Cn1cc(C[NH+]2CCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cn1 ZINC000436111762 532626777 /nfs/dbraw/zinc/62/67/77/532626777.db2.gz GEBIOARPHWIZHB-UHFFFAOYSA-N 1 2 382.295 2.483 20 0 GEADLO Cc1cc(Br)cn2c(CNc3nncn3-c3cccnc3)c[nH+]c12 ZINC000376744965 532627411 /nfs/dbraw/zinc/62/74/11/532627411.db2.gz XATNYRGQWFXIRD-UHFFFAOYSA-N 1 2 384.241 2.993 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000284977054 532636053 /nfs/dbraw/zinc/63/60/53/532636053.db2.gz BOVGDSSUJMKTFQ-UHFFFAOYSA-N 1 2 382.917 2.279 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000284977054 532636056 /nfs/dbraw/zinc/63/60/56/532636056.db2.gz BOVGDSSUJMKTFQ-UHFFFAOYSA-N 1 2 382.917 2.279 20 0 GEADLO COCCC[N@H+](CCO)Cc1c(F)ccc(I)c1F ZINC000475081941 532636908 /nfs/dbraw/zinc/63/69/08/532636908.db2.gz FBWBVKRZQMLYSA-UHFFFAOYSA-N 1 2 385.192 2.400 20 0 GEADLO COCCC[N@@H+](CCO)Cc1c(F)ccc(I)c1F ZINC000475081941 532636912 /nfs/dbraw/zinc/63/69/12/532636912.db2.gz FBWBVKRZQMLYSA-UHFFFAOYSA-N 1 2 385.192 2.400 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)sc2C1 ZINC000284990628 532637529 /nfs/dbraw/zinc/63/75/29/532637529.db2.gz GFTHSEZGDWBUCI-LBPRGKRZSA-N 1 2 377.491 2.031 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)sc2C1 ZINC000284990628 532637534 /nfs/dbraw/zinc/63/75/34/532637534.db2.gz GFTHSEZGDWBUCI-LBPRGKRZSA-N 1 2 377.491 2.031 20 0 GEADLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000475124246 532638589 /nfs/dbraw/zinc/63/85/89/532638589.db2.gz ZXJALBYQCXRUGY-UHFFFAOYSA-N 1 2 394.317 2.436 20 0 GEADLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000475124246 532638597 /nfs/dbraw/zinc/63/85/97/532638597.db2.gz ZXJALBYQCXRUGY-UHFFFAOYSA-N 1 2 394.317 2.436 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCCn1cc(Br)cn1 ZINC000377048340 532638839 /nfs/dbraw/zinc/63/88/39/532638839.db2.gz SHRXDOUHRKXWRN-UHFFFAOYSA-N 1 2 395.305 2.410 20 0 GEADLO CN(C)c1ccc(CNC(=O)c2cc(I)ccc2O)c[nH+]1 ZINC000436675798 532641512 /nfs/dbraw/zinc/64/15/12/532641512.db2.gz XXCGQLXRQHLVOZ-UHFFFAOYSA-N 1 2 397.216 2.388 20 0 GEADLO Cc1cccc(C(=O)N(C)CC[NH+]2CCOCC2)c1I ZINC000263858835 532644978 /nfs/dbraw/zinc/64/49/78/532644978.db2.gz JAOCAEWIUAQUOT-UHFFFAOYSA-N 1 2 388.249 2.004 20 0 GEADLO CN(CCn1cc(Br)cn1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000377139869 532645064 /nfs/dbraw/zinc/64/50/64/532645064.db2.gz JWOIKBFAKAPSOP-UHFFFAOYSA-N 1 2 395.305 2.063 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)s1 ZINC000264082071 532660153 /nfs/dbraw/zinc/66/01/53/532660153.db2.gz ODFLXFMWKSYUMG-UHFFFAOYSA-N 1 2 397.400 2.114 20 0 GEADLO C[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000285231060 532660495 /nfs/dbraw/zinc/66/04/95/532660495.db2.gz CMSYWUYAUDPBOP-GARJFASQSA-N 1 2 378.420 2.337 20 0 GEADLO C[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000285231060 532660499 /nfs/dbraw/zinc/66/04/99/532660499.db2.gz CMSYWUYAUDPBOP-GARJFASQSA-N 1 2 378.420 2.337 20 0 GEADLO Cc1nnc([C@@H](C)NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000633166378 532660840 /nfs/dbraw/zinc/66/08/40/532660840.db2.gz WTHXTHXDURNCTB-LLVKDONJSA-N 1 2 378.527 2.355 20 0 GEADLO CC(C)C[C@@H](CNS(=O)(=O)Cc1cccc(F)c1F)[NH+]1CCOCC1 ZINC000567768350 532661735 /nfs/dbraw/zinc/66/17/35/532661735.db2.gz LLNBYCLVMOTNAG-HNNXBMFYSA-N 1 2 376.469 2.131 20 0 GEADLO Cc1ncc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000533174818 532662185 /nfs/dbraw/zinc/66/21/85/532662185.db2.gz JKQZIWHNWLYSFA-CZUORRHYSA-N 1 2 381.523 2.019 20 0 GEADLO Cc1ncc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000533174818 532662193 /nfs/dbraw/zinc/66/21/93/532662193.db2.gz JKQZIWHNWLYSFA-CZUORRHYSA-N 1 2 381.523 2.019 20 0 GEADLO C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)[C@@H](C)[NH+]1CCOCC1 ZINC000264175690 532665921 /nfs/dbraw/zinc/66/59/21/532665921.db2.gz AMJXTWJSGOOEEF-VXGBXAGGSA-N 1 2 377.432 2.418 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000599567305 532666238 /nfs/dbraw/zinc/66/62/38/532666238.db2.gz WOYMASOBYYGARR-YOEHRIQHSA-N 1 2 387.263 2.363 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000599567305 532666241 /nfs/dbraw/zinc/66/62/41/532666241.db2.gz WOYMASOBYYGARR-YOEHRIQHSA-N 1 2 387.263 2.363 20 0 GEADLO C[NH+](C)[C@H](C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Cl)c1 ZINC000481163816 532666705 /nfs/dbraw/zinc/66/67/05/532666705.db2.gz JKLQXHVQXWZQJI-STQMWFEESA-N 1 2 377.794 2.222 20 0 GEADLO Cc1cc(Br)cn2c(CN3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)c[nH+]c12 ZINC000377705878 532666863 /nfs/dbraw/zinc/66/68/63/532666863.db2.gz SHESFAHSHAYSRJ-SMDDNHRTSA-N 1 2 384.299 2.024 20 0 GEADLO COC(=O)[C@@]1(NCc2c[nH+]cn2C)CCc2cc(Br)ccc2C1 ZINC000599594241 532667576 /nfs/dbraw/zinc/66/75/76/532667576.db2.gz MMHJASDEVFLMAV-QGZVFWFLSA-N 1 2 378.270 2.373 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)c(C)cc1Br ZINC000567862109 532667609 /nfs/dbraw/zinc/66/76/09/532667609.db2.gz MCMDNFHYPQPQIF-NSHDSACASA-N 1 2 383.258 2.294 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1ccccc1I)[NH+]1CCOCC1 ZINC000264285510 532668474 /nfs/dbraw/zinc/66/84/74/532668474.db2.gz PQAMLKVSCKTWHM-NWDGAFQWSA-N 1 2 388.249 2.130 20 0 GEADLO O=C(NCCc1ccc(I)cc1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000598394611 532647577 /nfs/dbraw/zinc/64/75/77/532647577.db2.gz YLPDRUQGQXAVRW-LBPRGKRZSA-N 1 2 395.244 2.478 20 0 GEADLO O=C(NCCc1ccc(I)cc1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000598394611 532647582 /nfs/dbraw/zinc/64/75/82/532647582.db2.gz YLPDRUQGQXAVRW-LBPRGKRZSA-N 1 2 395.244 2.478 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000567275629 532648281 /nfs/dbraw/zinc/64/82/81/532648281.db2.gz UVYFKDXFWGHZMG-GJZGRUSLSA-N 1 2 392.297 2.175 20 0 GEADLO O=S(=O)(Cc1ccccc1Cl)NCc1ccc[nH+]c1N1CCOCC1 ZINC000263905807 532648333 /nfs/dbraw/zinc/64/83/33/532648333.db2.gz KPJQIDQKNKDKOW-UHFFFAOYSA-N 1 2 381.885 2.191 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(F)c(Cl)c3)C[C@@H]21 ZINC000285101895 532648836 /nfs/dbraw/zinc/64/88/36/532648836.db2.gz HGPXSVWUYVRIHD-STQMWFEESA-N 1 2 390.242 2.003 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(F)c(Cl)c3)C[C@@H]21 ZINC000285101895 532648841 /nfs/dbraw/zinc/64/88/41/532648841.db2.gz HGPXSVWUYVRIHD-STQMWFEESA-N 1 2 390.242 2.003 20 0 GEADLO CS(=O)(=O)c1ccc(S(=O)(=O)Cc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000437153384 532649485 /nfs/dbraw/zinc/64/94/85/532649485.db2.gz JNLTUTLMXMMQCS-UHFFFAOYSA-N 1 2 384.866 2.365 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000632940081 532651292 /nfs/dbraw/zinc/65/12/92/532651292.db2.gz VYHAALJXCIAGBZ-UHFFFAOYSA-N 1 2 381.230 2.285 20 0 GEADLO Cc1ccc(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000437248350 532652262 /nfs/dbraw/zinc/65/22/62/532652262.db2.gz QYATXEGZPHSPHV-UHFFFAOYSA-N 1 2 375.372 2.307 20 0 GEADLO CN(C(=O)CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F)c1ccccc1 ZINC000437243316 532652851 /nfs/dbraw/zinc/65/28/51/532652851.db2.gz BJHNMWHEMOXQME-UHFFFAOYSA-N 1 2 375.372 2.023 20 0 GEADLO CN(C(=O)CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F)C1CCCCC1 ZINC000437243463 532652905 /nfs/dbraw/zinc/65/29/05/532652905.db2.gz BEBYMESQUVDXNK-UHFFFAOYSA-N 1 2 381.420 2.151 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1Cl ZINC000285304939 532669012 /nfs/dbraw/zinc/66/90/12/532669012.db2.gz QMYIJSYATJTBTP-CABCVRRESA-N 1 2 386.279 2.172 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1Cl ZINC000285304939 532669015 /nfs/dbraw/zinc/66/90/15/532669015.db2.gz QMYIJSYATJTBTP-CABCVRRESA-N 1 2 386.279 2.172 20 0 GEADLO CC[C@H](NC(C)=O)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000633011385 532656836 /nfs/dbraw/zinc/65/68/36/532656836.db2.gz SARUWPIJMSHZRJ-AWEZNQCLSA-N 1 2 397.273 2.182 20 0 GEADLO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCc1nnc(S(C)(=O)=O)s1 ZINC000285187707 532656874 /nfs/dbraw/zinc/65/68/74/532656874.db2.gz VXXGAXHZAGBAPA-OAHLLOKOSA-N 1 2 382.555 2.188 20 0 GEADLO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1nnc(S(C)(=O)=O)s1 ZINC000285187707 532656880 /nfs/dbraw/zinc/65/68/80/532656880.db2.gz VXXGAXHZAGBAPA-OAHLLOKOSA-N 1 2 382.555 2.188 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000264049990 532657758 /nfs/dbraw/zinc/65/77/58/532657758.db2.gz HPVZKFJMRGYZCQ-QMMMGPOBSA-N 1 2 380.214 2.291 20 0 GEADLO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(S(N)(=O)=O)s1 ZINC000638173976 532684529 /nfs/dbraw/zinc/68/45/29/532684529.db2.gz LVUHSLXJESGHHW-UHFFFAOYSA-N 1 2 378.317 2.129 20 0 GEADLO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(S(N)(=O)=O)s1 ZINC000638173976 532684536 /nfs/dbraw/zinc/68/45/36/532684536.db2.gz LVUHSLXJESGHHW-UHFFFAOYSA-N 1 2 378.317 2.129 20 0 GEADLO COC(=O)CC1([NH2+]Cc2csc(CCC(C)C)n2)CCS(=O)(=O)CC1 ZINC000439254014 532685763 /nfs/dbraw/zinc/68/57/63/532685763.db2.gz ADYDQZNMTLZBIK-UHFFFAOYSA-N 1 2 388.555 2.332 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)N2CC[N@@H+](C)Cc3ccccc32)s1 ZINC000568778919 532686354 /nfs/dbraw/zinc/68/63/54/532686354.db2.gz QGHVOKZMSHSPDD-UHFFFAOYSA-N 1 2 379.507 2.025 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)N2CC[N@H+](C)Cc3ccccc32)s1 ZINC000568778919 532686357 /nfs/dbraw/zinc/68/63/57/532686357.db2.gz QGHVOKZMSHSPDD-UHFFFAOYSA-N 1 2 379.507 2.025 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@@H]1C ZINC000534289478 532670833 /nfs/dbraw/zinc/67/08/33/532670833.db2.gz NACACGIOVAEEBC-NWDGAFQWSA-N 1 2 385.917 2.328 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@@H]1C ZINC000534289478 532670838 /nfs/dbraw/zinc/67/08/38/532670838.db2.gz NACACGIOVAEEBC-NWDGAFQWSA-N 1 2 385.917 2.328 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377942910 532673638 /nfs/dbraw/zinc/67/36/38/532673638.db2.gz GHCMLPBEWASADT-NSHDSACASA-N 1 2 377.242 2.093 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377942910 532673644 /nfs/dbraw/zinc/67/36/44/532673644.db2.gz GHCMLPBEWASADT-NSHDSACASA-N 1 2 377.242 2.093 20 0 GEADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000568326734 532674839 /nfs/dbraw/zinc/67/48/39/532674839.db2.gz RCYDTDKGUPIJSU-AWEZNQCLSA-N 1 2 381.263 2.280 20 0 GEADLO O=C(C[N@H+]1CCSC[C@H]1CCO)N[C@H](c1nccs1)c1ccccc1 ZINC000438653833 532675069 /nfs/dbraw/zinc/67/50/69/532675069.db2.gz SIDATCVXJAYLLZ-WBVHZDCISA-N 1 2 377.535 2.149 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@H]1CCO)N[C@H](c1nccs1)c1ccccc1 ZINC000438653833 532675078 /nfs/dbraw/zinc/67/50/78/532675078.db2.gz SIDATCVXJAYLLZ-WBVHZDCISA-N 1 2 377.535 2.149 20 0 GEADLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000568452106 532676634 /nfs/dbraw/zinc/67/66/34/532676634.db2.gz JMVAQLYVYHLLBF-CHWSQXEVSA-N 1 2 390.908 2.193 20 0 GEADLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000568452106 532676641 /nfs/dbraw/zinc/67/66/41/532676641.db2.gz JMVAQLYVYHLLBF-CHWSQXEVSA-N 1 2 390.908 2.193 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000568452108 532677270 /nfs/dbraw/zinc/67/72/70/532677270.db2.gz JMVAQLYVYHLLBF-QWHCGFSZSA-N 1 2 390.908 2.193 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000568452108 532677278 /nfs/dbraw/zinc/67/72/78/532677278.db2.gz JMVAQLYVYHLLBF-QWHCGFSZSA-N 1 2 390.908 2.193 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000637601142 532677472 /nfs/dbraw/zinc/67/74/72/532677472.db2.gz RGCSNEHHYYEBHN-USXIJHARSA-N 1 2 394.313 2.061 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000660854692 532677690 /nfs/dbraw/zinc/67/76/90/532677690.db2.gz BCWVIMMDMMDKSU-SMDDNHRTSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000660854692 532677694 /nfs/dbraw/zinc/67/76/94/532677694.db2.gz BCWVIMMDMMDKSU-SMDDNHRTSA-N 1 2 376.284 2.047 20 0 GEADLO Cc1nc(-c2ncccn2)sc1C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000378084848 532678156 /nfs/dbraw/zinc/67/81/56/532678156.db2.gz FHVQBWDGAJDQBH-CYBMUJFWSA-N 1 2 375.523 2.172 20 0 GEADLO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378065677 532679371 /nfs/dbraw/zinc/67/93/71/532679371.db2.gz BMMLEDHSCRGKMI-SWLSCSKDSA-N 1 2 379.258 2.062 20 0 GEADLO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378065677 532679376 /nfs/dbraw/zinc/67/93/76/532679376.db2.gz BMMLEDHSCRGKMI-SWLSCSKDSA-N 1 2 379.258 2.062 20 0 GEADLO CC[C@@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCS1 ZINC000638093874 532680766 /nfs/dbraw/zinc/68/07/66/532680766.db2.gz NSYBEKXJOCATKT-LLVKDONJSA-N 1 2 379.345 2.424 20 0 GEADLO CC[C@@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCS1 ZINC000638093874 532680767 /nfs/dbraw/zinc/68/07/67/532680767.db2.gz NSYBEKXJOCATKT-LLVKDONJSA-N 1 2 379.345 2.424 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1Cl ZINC000638130489 532681901 /nfs/dbraw/zinc/68/19/01/532681901.db2.gz FSTMHKAGCPENLO-CYBMUJFWSA-N 1 2 386.823 2.123 20 0 GEADLO COC(=O)C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000439450151 532693050 /nfs/dbraw/zinc/69/30/50/532693050.db2.gz JPXSBEXEXCYMMJ-ZDUSSCGKSA-N 1 2 378.238 2.211 20 0 GEADLO COC(=O)C[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000439450151 532693056 /nfs/dbraw/zinc/69/30/56/532693056.db2.gz JPXSBEXEXCYMMJ-ZDUSSCGKSA-N 1 2 378.238 2.211 20 0 GEADLO COC[C@@](C)(O)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000536567056 532693170 /nfs/dbraw/zinc/69/31/70/532693170.db2.gz FMVGCWPEDDQGES-QGZVFWFLSA-N 1 2 375.296 2.078 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285576832 532693900 /nfs/dbraw/zinc/69/39/00/532693900.db2.gz KPUMNYFNINIGEV-KBPBESRZSA-N 1 2 387.933 2.270 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285576832 532693906 /nfs/dbraw/zinc/69/39/06/532693906.db2.gz KPUMNYFNINIGEV-KBPBESRZSA-N 1 2 387.933 2.270 20 0 GEADLO COC[C@](C)(O)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000536567055 532693939 /nfs/dbraw/zinc/69/39/39/532693939.db2.gz FMVGCWPEDDQGES-KRWDZBQOSA-N 1 2 375.296 2.078 20 0 GEADLO CN(C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)s2)C1)S(C)(=O)=O ZINC000285659458 532696109 /nfs/dbraw/zinc/69/61/09/532696109.db2.gz PPVWVCOOYSXQEE-AWEZNQCLSA-N 1 2 380.539 2.309 20 0 GEADLO CN(C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1)S(C)(=O)=O ZINC000285659458 532696116 /nfs/dbraw/zinc/69/61/16/532696116.db2.gz PPVWVCOOYSXQEE-AWEZNQCLSA-N 1 2 380.539 2.309 20 0 GEADLO O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378511385 532697756 /nfs/dbraw/zinc/69/77/56/532697756.db2.gz AAQLHOGFXQWPNS-CYBMUJFWSA-N 1 2 382.873 2.095 20 0 GEADLO COCC[N@H+](C)Cc1cn(Cc2cc(OC)c(OC)cc2Br)nn1 ZINC000640859828 532699494 /nfs/dbraw/zinc/69/94/94/532699494.db2.gz JTVMMANIXMNZGF-UHFFFAOYSA-N 1 2 399.289 2.184 20 0 GEADLO COCC[N@@H+](C)Cc1cn(Cc2cc(OC)c(OC)cc2Br)nn1 ZINC000640859828 532699498 /nfs/dbraw/zinc/69/94/98/532699498.db2.gz JTVMMANIXMNZGF-UHFFFAOYSA-N 1 2 399.289 2.184 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000266035269 532700266 /nfs/dbraw/zinc/70/02/66/532700266.db2.gz FJXRMDJHHGLSRK-IAGOWNOFSA-N 1 2 384.307 2.377 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285725425 532701885 /nfs/dbraw/zinc/70/18/85/532701885.db2.gz UXWBKTSKKHGKPH-HIFRSBDPSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285725425 532701894 /nfs/dbraw/zinc/70/18/94/532701894.db2.gz UXWBKTSKKHGKPH-HIFRSBDPSA-N 1 2 387.933 2.331 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000569664559 532702305 /nfs/dbraw/zinc/70/23/05/532702305.db2.gz FHWVAAQFSDNJJI-ISTVAULSSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000569664559 532702315 /nfs/dbraw/zinc/70/23/15/532702315.db2.gz FHWVAAQFSDNJJI-ISTVAULSSA-N 1 2 380.794 2.361 20 0 GEADLO CCCS(=O)(=O)CC[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000265213417 532689015 /nfs/dbraw/zinc/68/90/15/532689015.db2.gz FCORNAYRTGJOAT-ZDUSSCGKSA-N 1 2 383.432 2.202 20 0 GEADLO CCCS(=O)(=O)CC[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000265213417 532689022 /nfs/dbraw/zinc/68/90/22/532689022.db2.gz FCORNAYRTGJOAT-ZDUSSCGKSA-N 1 2 383.432 2.202 20 0 GEADLO COc1ccc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1Br ZINC000285535133 532689124 /nfs/dbraw/zinc/68/91/24/532689124.db2.gz UJLYNBNAQVRYEL-HOCLYGCPSA-N 1 2 398.301 2.072 20 0 GEADLO COc1ccc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1Br ZINC000285535133 532689128 /nfs/dbraw/zinc/68/91/28/532689128.db2.gz UJLYNBNAQVRYEL-HOCLYGCPSA-N 1 2 398.301 2.072 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2cc(C(F)(F)F)on2)C1 ZINC000641612141 532702840 /nfs/dbraw/zinc/70/28/40/532702840.db2.gz CRDHRHLIBYXLTA-UHFFFAOYSA-N 1 2 375.372 2.160 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2cc(C(F)(F)F)on2)C1 ZINC000641612141 532702843 /nfs/dbraw/zinc/70/28/43/532702843.db2.gz CRDHRHLIBYXLTA-UHFFFAOYSA-N 1 2 375.372 2.160 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285725422 532702841 /nfs/dbraw/zinc/70/28/41/532702841.db2.gz UXWBKTSKKHGKPH-DZGCQCFKSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285725422 532702845 /nfs/dbraw/zinc/70/28/45/532702845.db2.gz UXWBKTSKKHGKPH-DZGCQCFKSA-N 1 2 387.933 2.331 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000265264680 532690854 /nfs/dbraw/zinc/69/08/54/532690854.db2.gz WAUHKPWOLJOSDC-MNOVXSKESA-N 1 2 394.324 2.321 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000265264680 532690860 /nfs/dbraw/zinc/69/08/60/532690860.db2.gz WAUHKPWOLJOSDC-MNOVXSKESA-N 1 2 394.324 2.321 20 0 GEADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N(C)Cc2cscn2)CC1 ZINC000299227459 532703237 /nfs/dbraw/zinc/70/32/37/532703237.db2.gz XNVRMHQCUIUPEJ-ZDUSSCGKSA-N 1 2 378.523 2.068 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CCO1 ZINC000440012152 532704414 /nfs/dbraw/zinc/70/44/14/532704414.db2.gz QNZINJJAGQSHLB-JTQLQIEISA-N 1 2 392.258 2.298 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CCO1 ZINC000440012152 532704419 /nfs/dbraw/zinc/70/44/19/532704419.db2.gz QNZINJJAGQSHLB-JTQLQIEISA-N 1 2 392.258 2.298 20 0 GEADLO Brc1ccc(N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)nc1 ZINC000607142931 532704543 /nfs/dbraw/zinc/70/45/43/532704543.db2.gz QJYFBIZLGQLQMS-UHFFFAOYSA-N 1 2 386.257 2.146 20 0 GEADLO COc1cc(Br)c(S(=O)(=O)N(C)Cc2[nH]cc[nH+]2)cc1OC ZINC000387047416 532705492 /nfs/dbraw/zinc/70/54/92/532705492.db2.gz HYIOMKOFGFCBMC-UHFFFAOYSA-N 1 2 390.259 2.010 20 0 GEADLO CN(C[C@@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3n2C)C1)S(C)(=O)=O ZINC000285779920 532706534 /nfs/dbraw/zinc/70/65/34/532706534.db2.gz YQKYGULYAPEXRK-ZDUSSCGKSA-N 1 2 384.933 2.330 20 0 GEADLO CN(C[C@@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)C1)S(C)(=O)=O ZINC000285779920 532706539 /nfs/dbraw/zinc/70/65/39/532706539.db2.gz YQKYGULYAPEXRK-ZDUSSCGKSA-N 1 2 384.933 2.330 20 0 GEADLO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000440273862 532708787 /nfs/dbraw/zinc/70/87/87/532708787.db2.gz WUJUSHMHWGZJCR-GFCCVEGCSA-N 1 2 398.301 2.337 20 0 GEADLO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000440273862 532708794 /nfs/dbraw/zinc/70/87/94/532708794.db2.gz WUJUSHMHWGZJCR-GFCCVEGCSA-N 1 2 398.301 2.337 20 0 GEADLO Cc1cc(I)cnc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000440256822 532708805 /nfs/dbraw/zinc/70/88/05/532708805.db2.gz DGQLKSSTZDXOMH-SNVBAGLBSA-N 1 2 382.205 2.392 20 0 GEADLO CCN1C[C@H]([NH2+]Cc2c(Br)cncc2Br)CC1=O ZINC000394575108 532710046 /nfs/dbraw/zinc/71/00/46/532710046.db2.gz QNWCIROMAGHYEP-MRVPVSSYSA-N 1 2 377.080 2.317 20 0 GEADLO O=C1NCCCC[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000394609508 532710200 /nfs/dbraw/zinc/71/02/00/532710200.db2.gz HCKJNPPBOWJYMU-NSHDSACASA-N 1 2 377.080 2.365 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cs1 ZINC000266242702 532711286 /nfs/dbraw/zinc/71/12/86/532711286.db2.gz VDGCYZHIEQEQAD-ZDUSSCGKSA-N 1 2 384.479 2.243 20 0 GEADLO CN1CCc2ccc(S(=O)(=O)N3CC[NH+](Cc4cccs4)CC3)cc21 ZINC000440398811 532712012 /nfs/dbraw/zinc/71/20/12/532712012.db2.gz MFDJYUZGGJDAPI-UHFFFAOYSA-N 1 2 377.535 2.247 20 0 GEADLO C[C@@H](CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)Cn1cc[nH+]c1 ZINC000669019889 532712318 /nfs/dbraw/zinc/71/23/18/532712318.db2.gz ZEBCAKBMIOBNMG-VIFPVBQESA-N 1 2 378.230 2.294 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCc2ccc(Br)cc2C1 ZINC000494215320 532714124 /nfs/dbraw/zinc/71/41/24/532714124.db2.gz HMPXWJMQNABTKG-QGZVFWFLSA-N 1 2 394.313 2.380 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCc2ccc(Br)cc2C1 ZINC000494215320 532714128 /nfs/dbraw/zinc/71/41/28/532714128.db2.gz HMPXWJMQNABTKG-QGZVFWFLSA-N 1 2 394.313 2.380 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCCc2ccc(Br)s2)CCO1 ZINC000494192558 532714278 /nfs/dbraw/zinc/71/42/78/532714278.db2.gz RSEXPFLXWLPYLP-GFCCVEGCSA-N 1 2 390.347 2.463 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccc(Br)s2)CCO1 ZINC000494192558 532714280 /nfs/dbraw/zinc/71/42/80/532714280.db2.gz RSEXPFLXWLPYLP-GFCCVEGCSA-N 1 2 390.347 2.463 20 0 GEADLO CN(Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494196094 532714408 /nfs/dbraw/zinc/71/44/08/532714408.db2.gz UKHWSPAHFZYWEW-MRXNPFEDSA-N 1 2 382.302 2.454 20 0 GEADLO CN(Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494196094 532714415 /nfs/dbraw/zinc/71/44/15/532714415.db2.gz UKHWSPAHFZYWEW-MRXNPFEDSA-N 1 2 382.302 2.454 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000646111238 532722415 /nfs/dbraw/zinc/72/24/15/532722415.db2.gz ITVPVQCPOAUZKK-CQSZACIVSA-N 1 2 381.757 2.418 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000646111238 532722419 /nfs/dbraw/zinc/72/24/19/532722419.db2.gz ITVPVQCPOAUZKK-CQSZACIVSA-N 1 2 381.757 2.418 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3cccc4cnccc43)CC2)S1 ZINC000266715259 532722517 /nfs/dbraw/zinc/72/25/17/532722517.db2.gz ILZGEFMEWYADJW-ZDUSSCGKSA-N 1 2 376.507 2.032 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000646111778 532722580 /nfs/dbraw/zinc/72/25/80/532722580.db2.gz XBDCRXDHBWVYTL-YMTOWFKASA-N 1 2 378.782 2.062 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000646111778 532722582 /nfs/dbraw/zinc/72/25/82/532722582.db2.gz XBDCRXDHBWVYTL-YMTOWFKASA-N 1 2 378.782 2.062 20 0 GEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000538851948 532722732 /nfs/dbraw/zinc/72/27/32/532722732.db2.gz KDEOCTDVSPRKRJ-IUCAKERBSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000538851948 532722738 /nfs/dbraw/zinc/72/27/38/532722738.db2.gz KDEOCTDVSPRKRJ-IUCAKERBSA-N 1 2 383.258 2.440 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000409508060 532722811 /nfs/dbraw/zinc/72/28/11/532722811.db2.gz KZSWETZTEGYWOK-RYUDHWBXSA-N 1 2 391.331 2.312 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000409508060 532722815 /nfs/dbraw/zinc/72/28/15/532722815.db2.gz KZSWETZTEGYWOK-RYUDHWBXSA-N 1 2 391.331 2.312 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000285975340 532723358 /nfs/dbraw/zinc/72/33/58/532723358.db2.gz WVXWLOWHONYKKP-AAEUAGOBSA-N 1 2 397.269 2.113 20 0 GEADLO Cc1noc(C)c1CC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000576117717 532723577 /nfs/dbraw/zinc/72/35/77/532723577.db2.gz BBIBEXGQLXANFK-UHFFFAOYSA-N 1 2 395.257 2.467 20 0 GEADLO Cc1csc(-c2cccc(S(=O)(=O)NCCC[NH+]3CCOCC3)c2)n1 ZINC000409527290 532723920 /nfs/dbraw/zinc/72/39/20/532723920.db2.gz BLIUIUSNFYITBU-UHFFFAOYSA-N 1 2 381.523 2.119 20 0 GEADLO Cc1nc(N2CCN(C(=O)c3ccc(Br)cc3N)CC2)cc[nH+]1 ZINC000646482050 532725004 /nfs/dbraw/zinc/72/50/04/532725004.db2.gz XWHUKEQBOIHXMF-UHFFFAOYSA-N 1 2 376.258 2.092 20 0 GEADLO COCc1ccccc1CS(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000672379100 532725652 /nfs/dbraw/zinc/72/56/52/532725652.db2.gz IYIKQVYEDKVCGN-UHFFFAOYSA-N 1 2 380.535 2.372 20 0 GEADLO COCc1ccccc1CS(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000672379100 532725657 /nfs/dbraw/zinc/72/56/57/532725657.db2.gz IYIKQVYEDKVCGN-UHFFFAOYSA-N 1 2 380.535 2.372 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000409587065 532725844 /nfs/dbraw/zinc/72/58/44/532725844.db2.gz NKUMZDPRLJBWAS-LLVKDONJSA-N 1 2 388.287 2.162 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)[C@H](C)C1 ZINC000539233854 532726748 /nfs/dbraw/zinc/72/67/48/532726748.db2.gz TZXRDETYNVNFPT-CYBMUJFWSA-N 1 2 388.555 2.304 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)[C@H](C)C1 ZINC000539233854 532726753 /nfs/dbraw/zinc/72/67/53/532726753.db2.gz TZXRDETYNVNFPT-CYBMUJFWSA-N 1 2 388.555 2.304 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3N=NC(=S)N3C)n2)C1 ZINC000267035140 532732715 /nfs/dbraw/zinc/73/27/15/532732715.db2.gz GRRBEFNVQDLAQM-SNVBAGLBSA-N 1 2 381.531 2.114 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3N=NC(=S)N3C)n2)C1 ZINC000267035140 532732721 /nfs/dbraw/zinc/73/27/21/532732721.db2.gz GRRBEFNVQDLAQM-SNVBAGLBSA-N 1 2 381.531 2.114 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000499933515 532728807 /nfs/dbraw/zinc/72/88/07/532728807.db2.gz VMKKTAROPIBRHC-JTQLQIEISA-N 1 2 375.803 2.085 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000499933515 532728811 /nfs/dbraw/zinc/72/88/11/532728811.db2.gz VMKKTAROPIBRHC-JTQLQIEISA-N 1 2 375.803 2.085 20 0 GEADLO O=C(C[NH2+][C@H](CO)c1cccc(Cl)c1F)NC(=O)NCc1cccs1 ZINC000499937469 532729495 /nfs/dbraw/zinc/72/94/95/532729495.db2.gz CGMFVILLBARSGE-CYBMUJFWSA-N 1 2 385.848 2.190 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1c(F)ccc(Br)c1F ZINC000409960510 532730560 /nfs/dbraw/zinc/73/05/60/532730560.db2.gz RPHLMHCHHGXLQX-LLVKDONJSA-N 1 2 391.256 2.449 20 0 GEADLO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000577066595 532732531 /nfs/dbraw/zinc/73/25/31/532732531.db2.gz YCIISSGAJTXBGT-CYBMUJFWSA-N 1 2 381.885 2.209 20 0 GEADLO CC(C)[C@H]1CN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC[N@@H+]1C ZINC000575227748 532718749 /nfs/dbraw/zinc/71/87/49/532718749.db2.gz UKZLEBJTIVZESF-AEGPPILISA-N 1 2 385.555 2.337 20 0 GEADLO CC(C)[C@H]1CN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC[N@H+]1C ZINC000575227748 532718754 /nfs/dbraw/zinc/71/87/54/532718754.db2.gz UKZLEBJTIVZESF-AEGPPILISA-N 1 2 385.555 2.337 20 0 GEADLO C[C@H](CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)Cn1cc[nH+]c1 ZINC000673841831 532732532 /nfs/dbraw/zinc/73/25/32/532732532.db2.gz IUYYUGXNBYUXSO-CYBMUJFWSA-N 1 2 381.885 2.295 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)CC1 ZINC000410917182 532743255 /nfs/dbraw/zinc/74/32/55/532743255.db2.gz UHKZYANPXVMTHD-OAHLLOKOSA-N 1 2 398.276 2.026 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000614606743 532743890 /nfs/dbraw/zinc/74/38/90/532743890.db2.gz UOIKBKCUWUNBND-LSDHHAIUSA-N 1 2 388.555 2.021 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000614606743 532743897 /nfs/dbraw/zinc/74/38/97/532743897.db2.gz UOIKBKCUWUNBND-LSDHHAIUSA-N 1 2 388.555 2.021 20 0 GEADLO O=C(CN1CCN(c2cc[nH+]c3c(Br)cccc23)CC1)NC1CC1 ZINC000301205973 532744382 /nfs/dbraw/zinc/74/43/82/532744382.db2.gz YZTUROYKNARIMQ-UHFFFAOYSA-N 1 2 389.297 2.398 20 0 GEADLO Cc1nc(NC(=O)[C@H](C)[NH+]2CCSCC2)ccc1I ZINC000410095474 532733201 /nfs/dbraw/zinc/73/32/01/532733201.db2.gz RLQCHLKKRXZOOY-JTQLQIEISA-N 1 2 391.278 2.370 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)c1cc(Br)c2c(c1)OCCO2 ZINC000500710405 532734560 /nfs/dbraw/zinc/73/45/60/532734560.db2.gz LPEGMFYLZLZTAC-UHFFFAOYSA-N 1 2 378.226 2.457 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cn1 ZINC000500785638 532735780 /nfs/dbraw/zinc/73/57/80/532735780.db2.gz HBXSDJILXREQJQ-UHFFFAOYSA-N 1 2 383.857 2.384 20 0 GEADLO Cc1nnc(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)s1 ZINC000578479882 532736544 /nfs/dbraw/zinc/73/65/44/532736544.db2.gz CUTKJVIODHLEEQ-SSDOTTSWSA-N 1 2 391.316 2.107 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(I)cc2)C(C)(C)C1 ZINC000501167220 532738765 /nfs/dbraw/zinc/73/87/65/532738765.db2.gz WGQURBHWJUMJKX-UHFFFAOYSA-N 1 2 394.278 2.006 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)c2ccc(I)cc2)C(C)(C)C1 ZINC000501167220 532738771 /nfs/dbraw/zinc/73/87/71/532738771.db2.gz WGQURBHWJUMJKX-UHFFFAOYSA-N 1 2 394.278 2.006 20 0 GEADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000540470343 532739419 /nfs/dbraw/zinc/73/94/19/532739419.db2.gz STUKIZYFKOKDCJ-CVEARBPZSA-N 1 2 383.286 2.070 20 0 GEADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000540470343 532739423 /nfs/dbraw/zinc/73/94/23/532739423.db2.gz STUKIZYFKOKDCJ-CVEARBPZSA-N 1 2 383.286 2.070 20 0 GEADLO O=C(CCc1ccc(Br)cc1F)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614505793 532739642 /nfs/dbraw/zinc/73/96/42/532739642.db2.gz AUAHYONMFGPPLG-OAHLLOKOSA-N 1 2 384.293 2.027 20 0 GEADLO O=C(CCc1ccc(Br)cc1F)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614505793 532739647 /nfs/dbraw/zinc/73/96/47/532739647.db2.gz AUAHYONMFGPPLG-OAHLLOKOSA-N 1 2 384.293 2.027 20 0 GEADLO O=C(CCCc1ccc(Br)s1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614511553 532740096 /nfs/dbraw/zinc/74/00/96/532740096.db2.gz JRJFSDOENCVYIL-ZDUSSCGKSA-N 1 2 386.359 2.339 20 0 GEADLO O=C(CCCc1ccc(Br)s1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614511553 532740103 /nfs/dbraw/zinc/74/01/03/532740103.db2.gz JRJFSDOENCVYIL-ZDUSSCGKSA-N 1 2 386.359 2.339 20 0 GEADLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000579316883 532740269 /nfs/dbraw/zinc/74/02/69/532740269.db2.gz FMVUCQFNAIOLEP-JTQLQIEISA-N 1 2 382.873 2.481 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCc1ccc(S(C)(=O)=O)cc1 ZINC000301155550 532741643 /nfs/dbraw/zinc/74/16/43/532741643.db2.gz MYAQZCLYHRHFSP-UHFFFAOYSA-N 1 2 396.270 2.141 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2N[C@@H]1CCN(c2ncccc2F)C1 ZINC000301568707 532754428 /nfs/dbraw/zinc/75/44/28/532754428.db2.gz NLKWHIKRAQVMQN-SECBINFHSA-N 1 2 392.236 2.351 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000301598813 532755312 /nfs/dbraw/zinc/75/53/12/532755312.db2.gz XVZQPNXGQJNLDZ-GFCCVEGCSA-N 1 2 375.416 2.444 20 0 GEADLO COc1sc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1Br ZINC000507152276 532756214 /nfs/dbraw/zinc/75/62/14/532756214.db2.gz RCHRYUBFKFFCOA-SNVBAGLBSA-N 1 2 397.360 2.423 20 0 GEADLO COc1sc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1Br ZINC000507152276 532756218 /nfs/dbraw/zinc/75/62/18/532756218.db2.gz RCHRYUBFKFFCOA-SNVBAGLBSA-N 1 2 397.360 2.423 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000507142847 532756339 /nfs/dbraw/zinc/75/63/39/532756339.db2.gz JWJMKBADOYMWII-QGZVFWFLSA-N 1 2 382.917 2.429 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000507142847 532756343 /nfs/dbraw/zinc/75/63/43/532756343.db2.gz JWJMKBADOYMWII-QGZVFWFLSA-N 1 2 382.917 2.429 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000268234741 532758396 /nfs/dbraw/zinc/75/83/96/532758396.db2.gz SWDMQIXKNJEWRG-UHFFFAOYSA-N 1 2 387.253 2.002 20 0 GEADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(F)F)c2Cl)CC1 ZINC000541697293 532758608 /nfs/dbraw/zinc/75/86/08/532758608.db2.gz WKJQFRWQUGKFSU-UHFFFAOYSA-N 1 2 375.803 2.007 20 0 GEADLO CCc1cc(N)nc(SCc2nnnn2-c2ccccc2Br)[nH+]1 ZINC000447793971 532759026 /nfs/dbraw/zinc/75/90/26/532759026.db2.gz ILNHBTIPLOTKIU-UHFFFAOYSA-N 1 2 392.286 2.652 20 0 GEADLO CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000507768845 532759679 /nfs/dbraw/zinc/75/96/79/532759679.db2.gz UNWOOOYHEPDYEM-BONVTDFDSA-N 1 2 381.274 2.264 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000507800673 532760681 /nfs/dbraw/zinc/76/06/81/532760681.db2.gz DSBLJCWQDATZPC-IUODEOHRSA-N 1 2 397.317 2.101 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN([C@H](C)C(=O)NC(N)=O)CC1 ZINC000507800673 532760685 /nfs/dbraw/zinc/76/06/85/532760685.db2.gz DSBLJCWQDATZPC-IUODEOHRSA-N 1 2 397.317 2.101 20 0 GEADLO CN(C)C(=O)Sc1cccc(C[NH+]2CCN(c3nc(N)ns3)CC2)c1 ZINC000268334837 532761494 /nfs/dbraw/zinc/76/14/94/532761494.db2.gz YPZBHQKOKNZSOS-UHFFFAOYSA-N 1 2 378.527 2.216 20 0 GEADLO Cc1cc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)sc1Br ZINC000583056168 532762653 /nfs/dbraw/zinc/76/26/53/532762653.db2.gz FZFOSVLCIHBGDN-UHFFFAOYSA-N 1 2 396.376 2.133 20 0 GEADLO Cc1cc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)sc1Br ZINC000583056168 532762657 /nfs/dbraw/zinc/76/26/57/532762657.db2.gz FZFOSVLCIHBGDN-UHFFFAOYSA-N 1 2 396.376 2.133 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1cnn(C)c(=O)c1Br ZINC000301302754 532748413 /nfs/dbraw/zinc/74/84/13/532748413.db2.gz YLSUGPZYVFMHKE-CYBMUJFWSA-N 1 2 377.286 2.254 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1cnn(C)c(=O)c1Br ZINC000301302754 532748420 /nfs/dbraw/zinc/74/84/20/532748420.db2.gz YLSUGPZYVFMHKE-CYBMUJFWSA-N 1 2 377.286 2.254 20 0 GEADLO O=C(NCCNc1cc[nH+]c2c(Br)ccc(F)c12)c1cnccn1 ZINC000443514665 532748467 /nfs/dbraw/zinc/74/84/67/532748467.db2.gz HIOWYXZCEUPGHE-UHFFFAOYSA-N 1 2 390.216 2.190 20 0 GEADLO CO[C@@H]1CC[C@@H](C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000616146837 532750289 /nfs/dbraw/zinc/75/02/89/532750289.db2.gz OOJPVJMEZOREAU-VXGBXAGGSA-N 1 2 384.274 2.434 20 0 GEADLO CSc1cc(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)ccc1Cl ZINC000411213393 532750390 /nfs/dbraw/zinc/75/03/90/532750390.db2.gz XBWCAWAHMMCQAA-UHFFFAOYSA-N 1 2 385.917 2.227 20 0 GEADLO CSc1cc(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)ccc1Cl ZINC000411213393 532750397 /nfs/dbraw/zinc/75/03/97/532750397.db2.gz XBWCAWAHMMCQAA-UHFFFAOYSA-N 1 2 385.917 2.227 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000444720355 532750705 /nfs/dbraw/zinc/75/07/05/532750705.db2.gz SWZIFYKRVLYRIJ-WFASDCNBSA-N 1 2 381.416 2.104 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000444720355 532750709 /nfs/dbraw/zinc/75/07/09/532750709.db2.gz SWZIFYKRVLYRIJ-WFASDCNBSA-N 1 2 381.416 2.104 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000411257147 532751063 /nfs/dbraw/zinc/75/10/63/532751063.db2.gz JWXDSNPHJQFYKN-FZMZJTMJSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411257147 532751073 /nfs/dbraw/zinc/75/10/73/532751073.db2.gz JWXDSNPHJQFYKN-FZMZJTMJSA-N 1 2 385.258 2.040 20 0 GEADLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccc(Br)nc3)CC2)S1 ZINC000267856234 532751081 /nfs/dbraw/zinc/75/10/81/532751081.db2.gz DTRUZQGUALSQBW-UHFFFAOYSA-N 1 2 383.315 2.483 20 0 GEADLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)NC[C@@H]1CSCCS1 ZINC000267842546 532751676 /nfs/dbraw/zinc/75/16/76/532751676.db2.gz LUMQNLHUMWSXRX-IAGOWNOFSA-N 1 2 381.567 2.208 20 0 GEADLO O=C(CCNc1cncc(Br)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000301549437 532753324 /nfs/dbraw/zinc/75/33/24/532753324.db2.gz QAKYTYAQRZRZKI-UHFFFAOYSA-N 1 2 390.285 2.390 20 0 GEADLO COC(=O)[C@H]1Cc2c(Br)cccc2CN1Cc1cc[nH+]c(N)c1 ZINC000411769931 532774882 /nfs/dbraw/zinc/77/48/82/532774882.db2.gz BLUQZBPPNJVCAD-OAHLLOKOSA-N 1 2 376.254 2.526 20 0 GEADLO CC(C)(C)[N@H+](CCS(C)(=O)=O)CC(=O)NCCCSc1ccccc1 ZINC000269253803 532777343 /nfs/dbraw/zinc/77/73/43/532777343.db2.gz AYDDAHGDXUQIMH-UHFFFAOYSA-N 1 2 386.583 2.430 20 0 GEADLO CC(C)(C)[N@@H+](CCS(C)(=O)=O)CC(=O)NCCCSc1ccccc1 ZINC000269253803 532777346 /nfs/dbraw/zinc/77/73/46/532777346.db2.gz AYDDAHGDXUQIMH-UHFFFAOYSA-N 1 2 386.583 2.430 20 0 GEADLO Cc1ccn2cc(CNC(=O)NCCCn3cc(Br)cn3)[nH+]c2c1 ZINC000286985444 532777610 /nfs/dbraw/zinc/77/76/10/532777610.db2.gz BGENWWHZYSUECO-UHFFFAOYSA-N 1 2 391.273 2.491 20 0 GEADLO O=c1ccc(Br)cn1CCNc1nc(C2CC2)[nH+]c2c1CCC2 ZINC000583065571 532764200 /nfs/dbraw/zinc/76/42/00/532764200.db2.gz LWTKTAKLLAYWBK-UHFFFAOYSA-N 1 2 375.270 2.879 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)c(F)c2)C[C@H](C)[N@H+]1C ZINC000451608989 532766493 /nfs/dbraw/zinc/76/64/93/532766493.db2.gz RGQGCUCFBYFHSV-PHIMTYICSA-N 1 2 379.295 2.442 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)c(F)c2)C[C@H](C)[N@@H+]1C ZINC000451608989 532766498 /nfs/dbraw/zinc/76/64/98/532766498.db2.gz RGQGCUCFBYFHSV-PHIMTYICSA-N 1 2 379.295 2.442 20 0 GEADLO Cc1nc2cc(Cl)c(NC(=O)C(=O)NCCc3cn(C)c[nH+]3)cc2s1 ZINC000411597059 532769956 /nfs/dbraw/zinc/76/99/56/532769956.db2.gz OPMCVALHWRCUOO-UHFFFAOYSA-N 1 2 377.857 2.289 20 0 GEADLO Cc1cc(Br)c(NC(=O)C(=O)NCCc2cn(C)c[nH+]2)cc1Cl ZINC000411598655 532769970 /nfs/dbraw/zinc/76/99/70/532769970.db2.gz SUNJDGRKMPHELD-UHFFFAOYSA-N 1 2 399.676 2.442 20 0 GEADLO Brc1cnn(Cc2cnc(NC[C@H]3C[N@@H+](C4CC4)CCO3)s2)c1 ZINC000302441871 532770263 /nfs/dbraw/zinc/77/02/63/532770263.db2.gz NFZIGTKLPVDENV-ZDUSSCGKSA-N 1 2 398.330 2.426 20 0 GEADLO Brc1cnn(Cc2cnc(NC[C@H]3C[N@H+](C4CC4)CCO3)s2)c1 ZINC000302441871 532770267 /nfs/dbraw/zinc/77/02/67/532770267.db2.gz NFZIGTKLPVDENV-ZDUSSCGKSA-N 1 2 398.330 2.426 20 0 GEADLO C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)[NH+]1CCN(C)CC1 ZINC000588935353 532772317 /nfs/dbraw/zinc/77/23/17/532772317.db2.gz FQIPTXHVZNRNIT-COXVUDFISA-N 1 2 380.330 2.305 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000513776557 532779831 /nfs/dbraw/zinc/77/98/31/532779831.db2.gz HMSNXBXFLZFDBL-LBPRGKRZSA-N 1 2 380.286 2.310 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000513776557 532779835 /nfs/dbraw/zinc/77/98/35/532779835.db2.gz HMSNXBXFLZFDBL-LBPRGKRZSA-N 1 2 380.286 2.310 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000510450154 532773010 /nfs/dbraw/zinc/77/30/10/532773010.db2.gz SFUDLNWENBJHDV-CQSZACIVSA-N 1 2 383.857 2.290 20 0 GEADLO Nc1[nH+]cnc(NCc2ccccc2S(=O)(=O)N2CCCCC2)c1Cl ZINC000302797536 532773293 /nfs/dbraw/zinc/77/32/93/532773293.db2.gz QWXZFKDMJDPVTD-UHFFFAOYSA-N 1 2 381.889 2.499 20 0 GEADLO Nc1nc[nH+]c(NCc2ccccc2S(=O)(=O)N2CCCCC2)c1Cl ZINC000302797536 532773300 /nfs/dbraw/zinc/77/33/00/532773300.db2.gz QWXZFKDMJDPVTD-UHFFFAOYSA-N 1 2 381.889 2.499 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)COC[C@H]3CCCO3)[nH+]c12 ZINC000544711850 532783038 /nfs/dbraw/zinc/78/30/38/532783038.db2.gz RTENURORVHZXHQ-OAHLLOKOSA-N 1 2 396.285 2.260 20 0 GEADLO COc1ccc(C[C@@H](CO)CNC(=O)CCc2c[nH+]c[nH]2)cc1Br ZINC000456499154 532783211 /nfs/dbraw/zinc/78/32/11/532783211.db2.gz RAWFZOIVRWJCLS-CYBMUJFWSA-N 1 2 396.285 2.081 20 0 GEADLO COc1ccc(C[C@@H](CO)CNC(=O)CCc2c[nH]c[nH+]2)cc1Br ZINC000456499154 532783215 /nfs/dbraw/zinc/78/32/15/532783215.db2.gz RAWFZOIVRWJCLS-CYBMUJFWSA-N 1 2 396.285 2.081 20 0 GEADLO Cn1nccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000545201947 532783450 /nfs/dbraw/zinc/78/34/50/532783450.db2.gz ONTRSGZRQHFJEO-INIZCTEOSA-N 1 2 382.917 2.407 20 0 GEADLO Cn1nccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000545201947 532783453 /nfs/dbraw/zinc/78/34/53/532783453.db2.gz ONTRSGZRQHFJEO-INIZCTEOSA-N 1 2 382.917 2.407 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000545202672 532783756 /nfs/dbraw/zinc/78/37/56/532783756.db2.gz UOTOVTQVVVFESX-HNNXBMFYSA-N 1 2 380.286 2.420 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000545202672 532783757 /nfs/dbraw/zinc/78/37/57/532783757.db2.gz UOTOVTQVVVFESX-HNNXBMFYSA-N 1 2 380.286 2.420 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000545190828 532783868 /nfs/dbraw/zinc/78/38/68/532783868.db2.gz RVSMITMKRBPRHF-CVEARBPZSA-N 1 2 387.933 2.161 20 0 GEADLO C[C@H]1[C@@H](CO)CCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000412093786 532785447 /nfs/dbraw/zinc/78/54/47/532785447.db2.gz WPUVGLOCFPZIEL-QWHCGFSZSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@H]1[C@@H](CO)CCC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000412093786 532785450 /nfs/dbraw/zinc/78/54/50/532785450.db2.gz WPUVGLOCFPZIEL-QWHCGFSZSA-N 1 2 376.316 2.316 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2nc3ccc(C)cc3s2)C1 ZINC000412083859 532785729 /nfs/dbraw/zinc/78/57/29/532785729.db2.gz SSECCWIJEBKUQL-GFCCVEGCSA-N 1 2 379.507 2.381 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2nc3ccc(C)cc3s2)C1 ZINC000412083859 532785732 /nfs/dbraw/zinc/78/57/32/532785732.db2.gz SSECCWIJEBKUQL-GFCCVEGCSA-N 1 2 379.507 2.381 20 0 GEADLO O=C(Nc1cccc2cc(Br)cnc21)N1CC[NH+](CCO)CC1 ZINC000287198029 532786218 /nfs/dbraw/zinc/78/62/18/532786218.db2.gz LNLGRGUTKPFLRO-UHFFFAOYSA-N 1 2 379.258 2.139 20 0 GEADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(Br)c(Cl)c1F ZINC000457101677 532786235 /nfs/dbraw/zinc/78/62/35/532786235.db2.gz QIXBDUGTHFIRAI-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(Br)c(Cl)c1F ZINC000457101677 532786236 /nfs/dbraw/zinc/78/62/36/532786236.db2.gz QIXBDUGTHFIRAI-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO COCC[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccccn1 ZINC000287214977 532786610 /nfs/dbraw/zinc/78/66/10/532786610.db2.gz FEFSZZWOUNRHDK-UHFFFAOYSA-N 1 2 379.258 2.326 20 0 GEADLO COCC[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccccn1 ZINC000287214977 532786612 /nfs/dbraw/zinc/78/66/12/532786612.db2.gz FEFSZZWOUNRHDK-UHFFFAOYSA-N 1 2 379.258 2.326 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000269721739 532788094 /nfs/dbraw/zinc/78/80/94/532788094.db2.gz GMUFCDIHJKDQMK-NSHDSACASA-N 1 2 383.857 2.418 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(F)c2Br)C1 ZINC000412357589 532788773 /nfs/dbraw/zinc/78/87/73/532788773.db2.gz OFGPDBATCGEWTB-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(F)c2Br)C1 ZINC000412357589 532788778 /nfs/dbraw/zinc/78/87/78/532788778.db2.gz OFGPDBATCGEWTB-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2csc(Br)c2C)C1 ZINC000412368743 532789177 /nfs/dbraw/zinc/78/91/77/532789177.db2.gz NEYDODWGYMPIBI-NSHDSACASA-N 1 2 389.315 2.434 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2csc(Br)c2C)C1 ZINC000412368743 532789181 /nfs/dbraw/zinc/78/91/81/532789181.db2.gz NEYDODWGYMPIBI-NSHDSACASA-N 1 2 389.315 2.434 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cscc2Br)C1 ZINC000412362113 532789398 /nfs/dbraw/zinc/78/93/98/532789398.db2.gz UJKBWAGPNBEXEL-NSHDSACASA-N 1 2 389.315 2.054 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cc2cscc2Br)C1 ZINC000412362113 532789400 /nfs/dbraw/zinc/78/94/00/532789400.db2.gz UJKBWAGPNBEXEL-NSHDSACASA-N 1 2 389.315 2.054 20 0 GEADLO O=S(=O)(NC1CC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000548452151 532790848 /nfs/dbraw/zinc/79/08/48/532790848.db2.gz WLURODQJUJQDAY-UHFFFAOYSA-N 1 2 378.325 2.150 20 0 GEADLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)S(=O)(=O)CC1CCC1 ZINC000328746809 532796861 /nfs/dbraw/zinc/79/68/61/532796861.db2.gz OUWVZYGWUMTUQQ-GJZGRUSLSA-N 1 2 375.535 2.426 20 0 GEADLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)S(=O)(=O)CC1CCC1 ZINC000328746809 532796864 /nfs/dbraw/zinc/79/68/64/532796864.db2.gz OUWVZYGWUMTUQQ-GJZGRUSLSA-N 1 2 375.535 2.426 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000269892047 532792437 /nfs/dbraw/zinc/79/24/37/532792437.db2.gz WJVLOUIOQLPVKO-UHFFFAOYSA-N 1 2 381.841 2.167 20 0 GEADLO CCc1ncc(S(=O)(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)s1 ZINC000548695070 532793177 /nfs/dbraw/zinc/79/31/77/532793177.db2.gz RMWYJDJEFFXBIG-UHFFFAOYSA-N 1 2 380.539 2.254 20 0 GEADLO O=C([C@@H]1COc2ccc(Br)cc21)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000328664657 532795048 /nfs/dbraw/zinc/79/50/48/532795048.db2.gz YQCDHPDIVWVLCY-HZPDHXFCSA-N 1 2 388.265 2.493 20 0 GEADLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)CC[C@H]1O ZINC000313712288 532780183 /nfs/dbraw/zinc/78/01/83/532780183.db2.gz AXNXRDKTBPUKLB-CQSZACIVSA-N 1 2 376.316 2.316 20 0 GEADLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)CC[C@H]1O ZINC000313712288 532780185 /nfs/dbraw/zinc/78/01/85/532780185.db2.gz AXNXRDKTBPUKLB-CQSZACIVSA-N 1 2 376.316 2.316 20 0 GEADLO O=C(CCn1cc(Br)ccc1=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329285412 532805019 /nfs/dbraw/zinc/80/50/19/532805019.db2.gz OHDPRLPLJHWKCJ-CYBMUJFWSA-N 1 2 379.258 2.478 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000271228883 532805017 /nfs/dbraw/zinc/80/50/17/532805017.db2.gz SMYJUWPMTZJAKU-UHFFFAOYSA-N 1 2 384.479 2.276 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1cc(Br)ccc1F ZINC000413119700 532806265 /nfs/dbraw/zinc/80/62/65/532806265.db2.gz OYIPIASEAMUEBQ-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO C[C@H](c1nncn1C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000287704710 532806685 /nfs/dbraw/zinc/80/66/85/532806685.db2.gz JIZGDKGNGKDWEH-NEPJUHHUSA-N 1 2 393.289 2.384 20 0 GEADLO C[C@H](c1nncn1C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000287704710 532806686 /nfs/dbraw/zinc/80/66/86/532806686.db2.gz JIZGDKGNGKDWEH-NEPJUHHUSA-N 1 2 393.289 2.384 20 0 GEADLO CCn1ccc(CNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000413152955 532806938 /nfs/dbraw/zinc/80/69/38/532806938.db2.gz JOTVKFBZXGJXCW-UHFFFAOYSA-N 1 2 377.246 2.313 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1CF)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000555685151 532808840 /nfs/dbraw/zinc/80/88/40/532808840.db2.gz CMFGYXKRMGPXHA-CYBMUJFWSA-N 1 2 375.275 2.471 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1CF)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000555685151 532808843 /nfs/dbraw/zinc/80/88/43/532808843.db2.gz CMFGYXKRMGPXHA-CYBMUJFWSA-N 1 2 375.275 2.471 20 0 GEADLO C[C@H](O)[C@H]1CCN(c2cc(NCCCn3cc(Br)cn3)[nH+]cn2)C1 ZINC000413300050 532809354 /nfs/dbraw/zinc/80/93/54/532809354.db2.gz MRNPGLYEJXABRA-STQMWFEESA-N 1 2 395.305 2.145 20 0 GEADLO C[C@H](O)[C@H]1CCN(c2cc(NCCCn3cc(Br)cn3)nc[nH+]2)C1 ZINC000413300050 532809356 /nfs/dbraw/zinc/80/93/56/532809356.db2.gz MRNPGLYEJXABRA-STQMWFEESA-N 1 2 395.305 2.145 20 0 GEADLO C[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC000555703683 532809466 /nfs/dbraw/zinc/80/94/66/532809466.db2.gz JRSZDPJSPSSYAX-BBRMVZONSA-N 1 2 383.945 2.413 20 0 GEADLO C[C@H](O)CNc1cc(N[C@@H](CO)c2ccc(Br)c(F)c2)nc[nH+]1 ZINC000413295243 532809476 /nfs/dbraw/zinc/80/94/76/532809476.db2.gz BWIKPOCYIFUDGB-ZANVPECISA-N 1 2 385.237 2.316 20 0 GEADLO C[C@H](O)CNc1cc(N[C@@H](CO)c2ccc(Br)c(F)c2)[nH+]cn1 ZINC000413295243 532809482 /nfs/dbraw/zinc/80/94/82/532809482.db2.gz BWIKPOCYIFUDGB-ZANVPECISA-N 1 2 385.237 2.316 20 0 GEADLO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC000555703684 532809654 /nfs/dbraw/zinc/80/96/54/532809654.db2.gz JRSZDPJSPSSYAX-CJNGLKHVSA-N 1 2 383.945 2.413 20 0 GEADLO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000555725914 532809702 /nfs/dbraw/zinc/80/97/02/532809702.db2.gz YYJPSACHFGWIBK-UHFFFAOYSA-N 1 2 393.285 2.199 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000413385649 532811381 /nfs/dbraw/zinc/81/13/81/532811381.db2.gz SGAOUDSHHMMLPU-UHFFFAOYSA-N 1 2 391.299 2.177 20 0 GEADLO CCn1cncc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328865520 532799544 /nfs/dbraw/zinc/79/95/44/532799544.db2.gz WLAGUHCLRYVHOJ-ZBFHGGJFSA-N 1 2 386.880 2.419 20 0 GEADLO CCn1cncc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328865520 532799545 /nfs/dbraw/zinc/79/95/45/532799545.db2.gz WLAGUHCLRYVHOJ-ZBFHGGJFSA-N 1 2 386.880 2.419 20 0 GEADLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000328901458 532800069 /nfs/dbraw/zinc/80/00/69/532800069.db2.gz ZBLKUHHBYZXOPP-UHFFFAOYSA-N 1 2 381.420 2.340 20 0 GEADLO O=C(CO)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000551583660 532800807 /nfs/dbraw/zinc/80/08/07/532800807.db2.gz VDUSDOVBLQQXOQ-UHFFFAOYSA-N 1 2 379.254 2.346 20 0 GEADLO CCn1ccnc1C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551588340 532800871 /nfs/dbraw/zinc/80/08/71/532800871.db2.gz SFNRKZKDEVOKKQ-UHFFFAOYSA-N 1 2 384.221 2.236 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000462249079 532801523 /nfs/dbraw/zinc/80/15/23/532801523.db2.gz VEYQIAAUDGNARC-LBPRGKRZSA-N 1 2 378.226 2.246 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000462249079 532801528 /nfs/dbraw/zinc/80/15/28/532801528.db2.gz VEYQIAAUDGNARC-LBPRGKRZSA-N 1 2 378.226 2.246 20 0 GEADLO C[C@H](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(F)c(Br)c1 ZINC000462249777 532801849 /nfs/dbraw/zinc/80/18/49/532801849.db2.gz WEYSJOCDHXATIP-TZMCWYRMSA-N 1 2 384.293 2.198 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000271025504 532802948 /nfs/dbraw/zinc/80/29/48/532802948.db2.gz VUQQUEUHRWWBBM-ZDUSSCGKSA-N 1 2 396.329 2.036 20 0 GEADLO CCS(=O)(=O)CCCNC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000413578156 532812599 /nfs/dbraw/zinc/81/25/99/532812599.db2.gz XZBAXTHBYXBLSF-INIZCTEOSA-N 1 2 387.571 2.135 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3c(Cl)ccnc3Cl)CC2)S1 ZINC000272209244 532813622 /nfs/dbraw/zinc/81/36/22/532813622.db2.gz LNDMKDJEQLTARF-SECBINFHSA-N 1 2 395.337 2.186 20 0 GEADLO CCS(=O)(=O)CCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000413860637 532815999 /nfs/dbraw/zinc/81/59/99/532815999.db2.gz PAEZWGAOAOSEIY-OAHLLOKOSA-N 1 2 375.922 2.067 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)C[C@H]21 ZINC000330266635 532816333 /nfs/dbraw/zinc/81/63/33/532816333.db2.gz HSASOZPDMCXFFL-HZPDHXFCSA-N 1 2 381.263 2.334 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)C[C@H]21 ZINC000330266635 532816335 /nfs/dbraw/zinc/81/63/35/532816335.db2.gz HSASOZPDMCXFFL-HZPDHXFCSA-N 1 2 381.263 2.334 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)sc1Br ZINC000330229849 532816441 /nfs/dbraw/zinc/81/64/41/532816441.db2.gz WCSGHSYVGYLMBG-SECBINFHSA-N 1 2 376.301 2.309 20 0 GEADLO CCN1CCN(S(=O)(=O)c2cnc3ccsc3c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330308904 532816980 /nfs/dbraw/zinc/81/69/80/532816980.db2.gz TVKYPOKGJCVGRD-AWEZNQCLSA-N 1 2 377.495 2.087 20 0 GEADLO COC(=O)C1(O)CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000273189418 532820924 /nfs/dbraw/zinc/82/09/24/532820924.db2.gz RCPQCQIEOACPEU-UHFFFAOYSA-N 1 2 379.254 2.497 20 0 GEADLO COc1c(NC(=O)[C@H](C)[NH+]2CCSCC2)cc(Cl)cc1C(=O)N(C)C ZINC000330565748 532821471 /nfs/dbraw/zinc/82/14/71/532821471.db2.gz KIXVMDWRUFWWIM-NSHDSACASA-N 1 2 385.917 2.426 20 0 GEADLO CN1CCC[C@@H]([NH2+]Cc2c(Br)cncc2Br)C1=O ZINC000414364508 532822582 /nfs/dbraw/zinc/82/25/82/532822582.db2.gz MMBXCYAAGMKACQ-LLVKDONJSA-N 1 2 377.080 2.317 20 0 GEADLO COC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccco1 ZINC000414369030 532823153 /nfs/dbraw/zinc/82/31/53/532823153.db2.gz UHHUFZIZBYFFGU-GFCCVEGCSA-N 1 2 389.271 2.167 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@]3(C)CCOC3)[nH+]c12 ZINC000273418232 532823395 /nfs/dbraw/zinc/82/33/95/532823395.db2.gz GEFZEXDIAVUNPD-INIZCTEOSA-N 1 2 381.274 2.426 20 0 GEADLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 ZINC000330674119 532825271 /nfs/dbraw/zinc/82/52/71/532825271.db2.gz ZIALHZKZLZRFHU-NSHDSACASA-N 1 2 397.324 2.079 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000414455518 532828506 /nfs/dbraw/zinc/82/85/06/532828506.db2.gz AXJNKIFBFCHMRD-LLVKDONJSA-N 1 2 388.287 2.269 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H]([C@@H](C)O)C3)[nH+]c12 ZINC000273582376 532827227 /nfs/dbraw/zinc/82/72/27/532827227.db2.gz PJAZZJGVYJFRKK-OLZOCXBDSA-N 1 2 395.301 2.360 20 0 GEADLO COc1cc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)ccc1Br ZINC000414454839 532828371 /nfs/dbraw/zinc/82/83/71/532828371.db2.gz ANMNGPOXUZGVAN-NSHDSACASA-N 1 2 388.287 2.269 20 0 GEADLO CC(C)(O)CC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000330851652 532828390 /nfs/dbraw/zinc/82/83/90/532828390.db2.gz QOPHIDSAYLIFBS-UHFFFAOYSA-N 1 2 381.325 2.461 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000330907319 532830016 /nfs/dbraw/zinc/83/00/16/532830016.db2.gz SRAOFUSOJHKMEQ-NWDGAFQWSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000330907319 532830017 /nfs/dbraw/zinc/83/00/17/532830017.db2.gz SRAOFUSOJHKMEQ-NWDGAFQWSA-N 1 2 382.309 2.242 20 0 GEADLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)s1 ZINC000273666543 532830394 /nfs/dbraw/zinc/83/03/94/532830394.db2.gz YRYUXWGHIYEIMN-QMMMGPOBSA-N 1 2 390.437 2.132 20 0 GEADLO O[C@@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1ncc(I)s1 ZINC000288488480 532829171 /nfs/dbraw/zinc/82/91/71/532829171.db2.gz HCWGJSPQZOGBLM-TVQRCGJNSA-N 1 2 388.230 2.332 20 0 GEADLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@@H](C)O1 ZINC000330899774 532829303 /nfs/dbraw/zinc/82/93/03/532829303.db2.gz QBOGOZCYFJGEFL-GHMZBOCLSA-N 1 2 380.432 2.270 20 0 GEADLO C[NH2+]Cc1noc(CCSCC(=O)Nc2ccc(Br)cc2)n1 ZINC000414507321 532831357 /nfs/dbraw/zinc/83/13/57/532831357.db2.gz YSCZPTGCCPTCHG-UHFFFAOYSA-N 1 2 385.287 2.466 20 0 GEADLO CNC(=O)NC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000414539893 532831803 /nfs/dbraw/zinc/83/18/03/532831803.db2.gz FIPAGGUYHQLYDJ-UHFFFAOYSA-N 1 2 383.283 2.468 20 0 GEADLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000288588362 532832578 /nfs/dbraw/zinc/83/25/78/532832578.db2.gz YSDUQAROXFFLRF-WBMJQRKESA-N 1 2 384.929 2.491 20 0 GEADLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000288588362 532832580 /nfs/dbraw/zinc/83/25/80/532832580.db2.gz YSDUQAROXFFLRF-WBMJQRKESA-N 1 2 384.929 2.491 20 0 GEADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@H](C)C(=O)N(C)C)ccc1Br ZINC000331166617 532834618 /nfs/dbraw/zinc/83/46/18/532834618.db2.gz HZHGRNFWWMNYAB-CJNGLKHVSA-N 1 2 396.329 2.487 20 0 GEADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)C(=O)N(C)C)ccc1Br ZINC000331166617 532834620 /nfs/dbraw/zinc/83/46/20/532834620.db2.gz HZHGRNFWWMNYAB-CJNGLKHVSA-N 1 2 396.329 2.487 20 0 GEADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@H](C)C(=O)N(C)C)ccc1Br ZINC000331166618 532834725 /nfs/dbraw/zinc/83/47/25/532834725.db2.gz HZHGRNFWWMNYAB-CZUORRHYSA-N 1 2 396.329 2.487 20 0 GEADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)C(=O)N(C)C)ccc1Br ZINC000331166618 532834727 /nfs/dbraw/zinc/83/47/27/532834727.db2.gz HZHGRNFWWMNYAB-CZUORRHYSA-N 1 2 396.329 2.487 20 0 GEADLO CC(=O)c1ccccc1NC(=O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000288701262 532835523 /nfs/dbraw/zinc/83/55/23/532835523.db2.gz DTZGXLUBEVOSET-UHFFFAOYSA-N 1 2 379.258 2.419 20 0 GEADLO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000288701262 532835526 /nfs/dbraw/zinc/83/55/26/532835526.db2.gz DTZGXLUBEVOSET-UHFFFAOYSA-N 1 2 379.258 2.419 20 0 GEADLO Cn1c(C[N@H+](C)CCn2cc(Br)cn2)nc2ccccc2c1=O ZINC000288731654 532836720 /nfs/dbraw/zinc/83/67/20/532836720.db2.gz GQOCOQHIDQKRJE-UHFFFAOYSA-N 1 2 376.258 2.025 20 0 GEADLO Cn1c(C[N@@H+](C)CCn2cc(Br)cn2)nc2ccccc2c1=O ZINC000288731654 532836722 /nfs/dbraw/zinc/83/67/22/532836722.db2.gz GQOCOQHIDQKRJE-UHFFFAOYSA-N 1 2 376.258 2.025 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000288736880 532836764 /nfs/dbraw/zinc/83/67/64/532836764.db2.gz BULSEYWMWBLDEL-UHFFFAOYSA-N 1 2 381.278 2.348 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000288773807 532837461 /nfs/dbraw/zinc/83/74/61/532837461.db2.gz BFWDZUDHMGNPKF-QWRGUYRKSA-N 1 2 394.273 2.067 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000288773807 532837462 /nfs/dbraw/zinc/83/74/62/532837462.db2.gz BFWDZUDHMGNPKF-QWRGUYRKSA-N 1 2 394.273 2.067 20 0 GEADLO COC(=O)NCCCC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273987394 532838866 /nfs/dbraw/zinc/83/88/66/532838866.db2.gz OFBUUZPRVMWVRS-UHFFFAOYSA-N 1 2 383.246 2.158 20 0 GEADLO O=C(c1ccc[nH]1)N1CCC[N@H+](CCCS(=O)(=O)c2ccccc2)CC1 ZINC000359941641 209206335 /nfs/dbraw/zinc/20/63/35/209206335.db2.gz MZWDLTFYQSNWQU-UHFFFAOYSA-N 1 2 375.494 2.027 20 0 GEADLO O=C(c1ccc[nH]1)N1CCC[N@@H+](CCCS(=O)(=O)c2ccccc2)CC1 ZINC000359941641 209206338 /nfs/dbraw/zinc/20/63/38/209206338.db2.gz MZWDLTFYQSNWQU-UHFFFAOYSA-N 1 2 375.494 2.027 20 0 GEADLO O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016637790 209182036 /nfs/dbraw/zinc/18/20/36/209182036.db2.gz YCYOBURKZAAAQX-OAHLLOKOSA-N 1 2 384.867 2.437 20 0 GEADLO CCC[NH2+]CCNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000415245498 532840076 /nfs/dbraw/zinc/84/00/76/532840076.db2.gz PCSHREYSZDRIDA-UHFFFAOYSA-N 1 2 383.499 2.065 20 0 GEADLO Cc1noc(CCC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000274045874 532840412 /nfs/dbraw/zinc/84/04/12/532840412.db2.gz UALPIRHGPBMNBL-UHFFFAOYSA-N 1 2 378.230 2.346 20 0 GEADLO CNc1nnc(CC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)s1 ZINC000274156943 532842181 /nfs/dbraw/zinc/84/21/81/532842181.db2.gz GPXJWGHKOSYPNT-UHFFFAOYSA-N 1 2 395.286 2.157 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000274241837 532845687 /nfs/dbraw/zinc/84/56/87/532845687.db2.gz XZVOFXBKSIXWKN-QWHCGFSZSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000274241837 532845688 /nfs/dbraw/zinc/84/56/88/532845688.db2.gz XZVOFXBKSIXWKN-QWHCGFSZSA-N 1 2 382.309 2.242 20 0 GEADLO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274255014 532846292 /nfs/dbraw/zinc/84/62/92/532846292.db2.gz YIKLSQBZSHLRCP-RHSMWYFYSA-N 1 2 390.933 2.058 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(Cc2nnnn2-c2ccccc2Br)C[C@@H]1C ZINC000332023708 532847974 /nfs/dbraw/zinc/84/79/74/532847974.db2.gz YJRWDMSMQFKISP-STQMWFEESA-N 1 2 379.306 2.339 20 0 GEADLO CC[N@H+]1C[C@H](C)N(Cc2nnnn2-c2ccccc2Br)C[C@@H]1C ZINC000332023708 532847977 /nfs/dbraw/zinc/84/79/77/532847977.db2.gz YJRWDMSMQFKISP-STQMWFEESA-N 1 2 379.306 2.339 20 0 GEADLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1csc(S(C)(=O)=O)c1)C2 ZINC000332183351 532849410 /nfs/dbraw/zinc/84/94/10/532849410.db2.gz AHLAJPXBTKUIKZ-GFCCVEGCSA-N 1 2 381.523 2.390 20 0 GEADLO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000289272356 532851957 /nfs/dbraw/zinc/85/19/57/532851957.db2.gz ZRIVVWYKXVWMMS-WDEREUQCSA-N 1 2 383.392 2.151 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000274622918 532853103 /nfs/dbraw/zinc/85/31/03/532853103.db2.gz LEYANRAOVGFKFX-UHFFFAOYSA-N 1 2 387.889 2.310 20 0 GEADLO CN(C)c1cc(NC(=O)N2CCOCC(F)(F)C2)[nH+]cc1Br ZINC000332365293 532853015 /nfs/dbraw/zinc/85/30/15/532853015.db2.gz USZKCSSZYKWAKB-UHFFFAOYSA-N 1 2 379.205 2.410 20 0 GEADLO O=c1nc([C@H]2CCC[N@@H+](Cc3cc4c(cc3Br)OCCO4)C2)[nH][nH]1 ZINC000289365092 532853561 /nfs/dbraw/zinc/85/35/61/532853561.db2.gz HTWFEWHYCDJBBE-JTQLQIEISA-N 1 2 395.257 2.011 20 0 GEADLO O=c1nc([C@H]2CCC[N@H+](Cc3cc4c(cc3Br)OCCO4)C2)[nH][nH]1 ZINC000289365092 532853565 /nfs/dbraw/zinc/85/35/65/532853565.db2.gz HTWFEWHYCDJBBE-JTQLQIEISA-N 1 2 395.257 2.011 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(OC)cc2Br)CC1 ZINC000289444451 532855224 /nfs/dbraw/zinc/85/52/24/532855224.db2.gz MGHUVCYDIBXAJY-UHFFFAOYSA-N 1 2 391.331 2.361 20 0 GEADLO COc1cc(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)nn1C ZINC000274743728 532855555 /nfs/dbraw/zinc/85/55/55/532855555.db2.gz OAMZGSAUQBESNU-UHFFFAOYSA-N 1 2 378.230 2.077 20 0 GEADLO O=C1C[C@H]([NH2+]Cc2ncc(Br)cc2Br)CN1C1CC1 ZINC000274821217 532857239 /nfs/dbraw/zinc/85/72/39/532857239.db2.gz HAGYCWGILLAEKA-VIFPVBQESA-N 1 2 389.091 2.460 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CC[N@@H+](CC(C)(C)O)C[C@@H]3C)cc2s1 ZINC000332648082 532859625 /nfs/dbraw/zinc/85/96/25/532859625.db2.gz SOKJSGWEBIYNKS-LBPRGKRZSA-N 1 2 383.539 2.070 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CC[N@H+](CC(C)(C)O)C[C@@H]3C)cc2s1 ZINC000332648082 532859628 /nfs/dbraw/zinc/85/96/28/532859628.db2.gz SOKJSGWEBIYNKS-LBPRGKRZSA-N 1 2 383.539 2.070 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CC[N@@H+](CC(C)(C)O)C[C@H]3C)cc2s1 ZINC000332648079 532859498 /nfs/dbraw/zinc/85/94/98/532859498.db2.gz SOKJSGWEBIYNKS-GFCCVEGCSA-N 1 2 383.539 2.070 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CC[N@H+](CC(C)(C)O)C[C@H]3C)cc2s1 ZINC000332648079 532859500 /nfs/dbraw/zinc/85/95/00/532859500.db2.gz SOKJSGWEBIYNKS-GFCCVEGCSA-N 1 2 383.539 2.070 20 0 GEADLO CCN(C(C)=O)c1nc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cs1 ZINC000275076567 532863137 /nfs/dbraw/zinc/86/31/37/532863137.db2.gz CCERKBNBEYUXSK-NSHDSACASA-N 1 2 378.420 2.016 20 0 GEADLO CCN(C(C)=O)c1nc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cs1 ZINC000275076567 532863140 /nfs/dbraw/zinc/86/31/40/532863140.db2.gz CCERKBNBEYUXSK-NSHDSACASA-N 1 2 378.420 2.016 20 0 GEADLO COc1ccc(Br)cc1C1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000416147442 532864773 /nfs/dbraw/zinc/86/47/73/532864773.db2.gz BFBDTJJNWMJEDJ-ZDUSSCGKSA-N 1 2 397.313 2.326 20 0 GEADLO COc1ccc(Br)cc1C1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000416147442 532864776 /nfs/dbraw/zinc/86/47/76/532864776.db2.gz BFBDTJJNWMJEDJ-ZDUSSCGKSA-N 1 2 397.313 2.326 20 0 GEADLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000275138455 532865749 /nfs/dbraw/zinc/86/57/49/532865749.db2.gz DBJMFGCYYYDAGJ-VXGBXAGGSA-N 1 2 380.290 2.275 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000275194112 532868310 /nfs/dbraw/zinc/86/83/10/532868310.db2.gz PJIWYMAPMYAELK-QMMMGPOBSA-N 1 2 386.239 2.198 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000289955039 532868845 /nfs/dbraw/zinc/86/88/45/532868845.db2.gz WMQJJFOQSNKTIK-UHFFFAOYSA-N 1 2 382.814 2.091 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000289955039 532868850 /nfs/dbraw/zinc/86/88/50/532868850.db2.gz WMQJJFOQSNKTIK-UHFFFAOYSA-N 1 2 382.814 2.091 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000290066910 532871781 /nfs/dbraw/zinc/87/17/81/532871781.db2.gz CGEPFYCQVULPML-TZMCWYRMSA-N 1 2 378.416 2.189 20 0 GEADLO Cc1cc(S(=O)(=O)N(C)Cc2[nH+]ccn2C)c(F)cc1Br ZINC000416371198 532872496 /nfs/dbraw/zinc/87/24/96/532872496.db2.gz IMJXRBRFLXHRNR-UHFFFAOYSA-N 1 2 376.251 2.451 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)c(F)cc1Br ZINC000416378497 532873375 /nfs/dbraw/zinc/87/33/75/532873375.db2.gz XNRANQRMWLHTDO-SNVBAGLBSA-N 1 2 376.251 2.460 20 0 GEADLO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290238303 532875660 /nfs/dbraw/zinc/87/56/60/532875660.db2.gz ADEYOHRIOUACJE-UHFFFAOYSA-N 1 2 389.253 2.115 20 0 GEADLO COc1cc(OC)c(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000416435806 532877204 /nfs/dbraw/zinc/87/72/04/532877204.db2.gz AKXMIZKNGWEQSF-LLVKDONJSA-N 1 2 385.873 2.269 20 0 GEADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000416440537 532877730 /nfs/dbraw/zinc/87/77/30/532877730.db2.gz PFDDXPGHKWROLF-NSHDSACASA-N 1 2 383.857 2.038 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000290328520 532878508 /nfs/dbraw/zinc/87/85/08/532878508.db2.gz CHNAGSDWFCTCSZ-HNNXBMFYSA-N 1 2 382.917 2.398 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000290328520 532878509 /nfs/dbraw/zinc/87/85/09/532878509.db2.gz CHNAGSDWFCTCSZ-HNNXBMFYSA-N 1 2 382.917 2.398 20 0 GEADLO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000290410645 532879871 /nfs/dbraw/zinc/87/98/71/532879871.db2.gz MNLNUJZEUUOUQK-AWEZNQCLSA-N 1 2 382.873 2.095 20 0 GEADLO O=C([C@H]1CC[N@@H+](Cc2ncc(I)s2)C1)N1CCCC1 ZINC000290477689 532882056 /nfs/dbraw/zinc/88/20/56/532882056.db2.gz NWNMNYMAGNCDMB-JTQLQIEISA-N 1 2 391.278 2.192 20 0 GEADLO O=C([C@H]1CC[N@H+](Cc2ncc(I)s2)C1)N1CCCC1 ZINC000290477689 532882058 /nfs/dbraw/zinc/88/20/58/532882058.db2.gz NWNMNYMAGNCDMB-JTQLQIEISA-N 1 2 391.278 2.192 20 0 GEADLO O=C1N[C@@H](c2ccsc2)C(=O)N1C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000349356874 532880503 /nfs/dbraw/zinc/88/05/03/532880503.db2.gz XCXRLMYNYHDAPC-ZFWWWQNUSA-N 1 2 377.491 2.476 20 0 GEADLO CO[C@H](CC(C)C)CS(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000420646851 532884933 /nfs/dbraw/zinc/88/49/33/532884933.db2.gz LDNLBYFNBHXBBK-QGZVFWFLSA-N 1 2 376.563 2.002 20 0 GEADLO CN1CC[N@H+](C)C[C@@H]1c1noc(Cc2noc3ccc(Br)cc32)n1 ZINC000351333566 532887958 /nfs/dbraw/zinc/88/79/58/532887958.db2.gz GVGNEAIJZUJNOU-CYBMUJFWSA-N 1 2 392.257 2.482 20 0 GEADLO CN1CC[N@@H+](C)C[C@@H]1c1noc(Cc2noc3ccc(Br)cc32)n1 ZINC000351333566 532887959 /nfs/dbraw/zinc/88/79/59/532887959.db2.gz GVGNEAIJZUJNOU-CYBMUJFWSA-N 1 2 392.257 2.482 20 0 GEADLO Cc1cc(CNC(=O)C(=O)NCCc2ccc(Br)s2)cc(C)[nH+]1 ZINC000421137809 532888351 /nfs/dbraw/zinc/88/83/51/532888351.db2.gz GVLXQRDOGSYRIC-UHFFFAOYSA-N 1 2 396.310 2.498 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NOC[C@H]3CCOC3)[nH+]c12 ZINC000276211446 532891044 /nfs/dbraw/zinc/89/10/44/532891044.db2.gz DAECYORZLXXZBO-LBPRGKRZSA-N 1 2 397.273 2.215 20 0 GEADLO O=C(Nc1cccc(Br)c1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000360889136 532891482 /nfs/dbraw/zinc/89/14/82/532891482.db2.gz LTHGTEWQUKXTSR-HNNXBMFYSA-N 1 2 395.301 2.267 20 0 GEADLO COCCn1ccc(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000276231753 532891827 /nfs/dbraw/zinc/89/18/27/532891827.db2.gz YZUQGHJAHDOXDJ-UHFFFAOYSA-N 1 2 392.257 2.178 20 0 GEADLO O=C(Cc1cc2c(cc1Br)OCCO2)N1CCn2c[nH+]cc2C1 ZINC000290989190 532894235 /nfs/dbraw/zinc/89/42/35/532894235.db2.gz WYHOLZJCPZRUMR-UHFFFAOYSA-N 1 2 378.226 2.002 20 0 GEADLO C[C@H]1CSC(SCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)=N1 ZINC000362392936 532896284 /nfs/dbraw/zinc/89/62/84/532896284.db2.gz VQJQFHJHMUWWFV-HOCLYGCPSA-N 1 2 379.551 2.228 20 0 GEADLO C[C@H]1CSC(SCC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)=N1 ZINC000362392936 532896287 /nfs/dbraw/zinc/89/62/87/532896287.db2.gz VQJQFHJHMUWWFV-HOCLYGCPSA-N 1 2 379.551 2.228 20 0 GEADLO C[C@@](O)(CNC(=O)NC1CC[NH+](Cc2cscn2)CC1)c1ccsc1 ZINC000363180400 532897030 /nfs/dbraw/zinc/89/70/30/532897030.db2.gz CRDQFRARSAZNEP-QGZVFWFLSA-N 1 2 380.539 2.376 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1sccc1Br ZINC000363149774 532897289 /nfs/dbraw/zinc/89/72/89/532897289.db2.gz GCDOVCAAOMQOBC-WDEREUQCSA-N 1 2 395.344 2.042 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1sccc1Br ZINC000363149774 532897290 /nfs/dbraw/zinc/89/72/90/532897290.db2.gz GCDOVCAAOMQOBC-WDEREUQCSA-N 1 2 395.344 2.042 20 0 GEADLO COc1cccc(S(O)=CC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000424896540 532897541 /nfs/dbraw/zinc/89/75/41/532897541.db2.gz RBVGSIWNGSSPLV-RUZDIDTESA-N 1 2 380.535 2.455 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000291182061 532897762 /nfs/dbraw/zinc/89/77/62/532897762.db2.gz OIKPELVGZTWQJU-UHFFFAOYSA-N 1 2 384.889 2.013 20 0 GEADLO CC(C)[C@@H](NC(=O)CNC(=O)c1cccc(Br)c1)c1[nH]cc[nH+]1 ZINC000276541969 532897936 /nfs/dbraw/zinc/89/79/36/532897936.db2.gz FFINKBVAYXGMES-CQSZACIVSA-N 1 2 379.258 2.416 20 0 GEADLO CCN(C)C(=O)[C@@H](C)NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000276681929 532899569 /nfs/dbraw/zinc/89/95/69/532899569.db2.gz VCMQYGHMLOLMSW-LLVKDONJSA-N 1 2 396.289 2.071 20 0 GEADLO Cc1cn2c([nH+]1)CN(CC(=O)N(C)Cc1cc(Br)cs1)CC2 ZINC000363690387 532900074 /nfs/dbraw/zinc/90/00/74/532900074.db2.gz PZWQBAKDTWJVGU-UHFFFAOYSA-N 1 2 383.315 2.490 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)COC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363693448 532900415 /nfs/dbraw/zinc/90/04/15/532900415.db2.gz YTBBYELFJLPZSR-JMPLFQLZSA-N 1 2 380.432 2.194 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)[C@@H](C)COC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363693448 532900416 /nfs/dbraw/zinc/90/04/16/532900416.db2.gz YTBBYELFJLPZSR-JMPLFQLZSA-N 1 2 380.432 2.194 20 0 GEADLO C[C@H]1C[C@H](NC(=O)N2CC[NH+](CC3CC3)CC2)c2ccsc2S1(=O)=O ZINC000291204836 532898543 /nfs/dbraw/zinc/89/85/43/532898543.db2.gz KLBBVNAZWQFAGM-WFASDCNBSA-N 1 2 383.539 2.092 20 0 GEADLO O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363925044 532902242 /nfs/dbraw/zinc/90/22/42/532902242.db2.gz AVJLBLDPGVLNQZ-CQSZACIVSA-N 1 2 378.270 2.477 20 0 GEADLO Cn1cc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc(Br)c1=O ZINC000364026587 532902581 /nfs/dbraw/zinc/90/25/81/532902581.db2.gz WOFIIXMZUISBNH-GFCCVEGCSA-N 1 2 391.269 2.398 20 0 GEADLO COc1cc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc(Cl)c1OC ZINC000363747318 532900735 /nfs/dbraw/zinc/90/07/35/532900735.db2.gz BKLHYMQBGCRRJV-CQSZACIVSA-N 1 2 388.917 2.357 20 0 GEADLO COc1cc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc(Cl)c1OC ZINC000363747318 532900737 /nfs/dbraw/zinc/90/07/37/532900737.db2.gz BKLHYMQBGCRRJV-CQSZACIVSA-N 1 2 388.917 2.357 20 0 GEADLO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CCn2c[nH+]cc2C1 ZINC000291524859 532903512 /nfs/dbraw/zinc/90/35/12/532903512.db2.gz KPCZVLMFLIXJNK-ZDUSSCGKSA-N 1 2 381.205 2.444 20 0 GEADLO C[C@H]([NH2+]Cc1c(Br)cncc1Br)C(=O)NCCF ZINC000291649445 532905731 /nfs/dbraw/zinc/90/57/31/532905731.db2.gz UNDDKSNWKCEGBJ-ZETCQYMHSA-N 1 2 383.059 2.170 20 0 GEADLO Cc1c(Br)cc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c(=O)n1C ZINC000364605385 532907280 /nfs/dbraw/zinc/90/72/80/532907280.db2.gz LOUNVDFLIDKHAL-UHFFFAOYSA-N 1 2 393.285 2.261 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](CS(C)(=O)=O)C1)c1ccsc1 ZINC000291699044 532907478 /nfs/dbraw/zinc/90/74/78/532907478.db2.gz UCIJKDKNSBDVGQ-ZBFHGGJFSA-N 1 2 387.571 2.207 20 0 GEADLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000364712189 532908273 /nfs/dbraw/zinc/90/82/73/532908273.db2.gz SHPMCQOXBVQGIC-JTQLQIEISA-N 1 2 375.288 2.327 20 0 GEADLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000364712189 532908274 /nfs/dbraw/zinc/90/82/74/532908274.db2.gz SHPMCQOXBVQGIC-JTQLQIEISA-N 1 2 375.288 2.327 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc(Br)s1)C2 ZINC000365593480 532911350 /nfs/dbraw/zinc/91/13/50/532911350.db2.gz SQDSLWDTJUDPSA-SECBINFHSA-N 1 2 376.301 2.309 20 0 GEADLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1c1ccc(Cl)cc1 ZINC000292380514 532915624 /nfs/dbraw/zinc/91/56/24/532915624.db2.gz JNCOPBOWCCXNKO-QWHCGFSZSA-N 1 2 380.857 2.019 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1c1ccc(Cl)cc1 ZINC000292380514 532915625 /nfs/dbraw/zinc/91/56/25/532915625.db2.gz JNCOPBOWCCXNKO-QWHCGFSZSA-N 1 2 380.857 2.019 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000292124558 532913502 /nfs/dbraw/zinc/91/35/02/532913502.db2.gz KPVFPNAZZGQMTG-OAHLLOKOSA-N 1 2 376.316 2.239 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cn(C)c(Cl)n1)c1ccccc1F ZINC000366504138 532918044 /nfs/dbraw/zinc/91/80/44/532918044.db2.gz CVFUEGZYIHDUAV-CYBMUJFWSA-N 1 2 383.836 2.014 20 0 GEADLO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc(C(C)=O)ccc3Cl)[C@H]2C1 ZINC000292774444 532918369 /nfs/dbraw/zinc/91/83/69/532918369.db2.gz JZAXGQZXSYDGPM-JKSUJKDBSA-N 1 2 386.901 2.026 20 0 GEADLO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc(C(C)=O)ccc3Cl)[C@H]2C1 ZINC000292774444 532918371 /nfs/dbraw/zinc/91/83/71/532918371.db2.gz JZAXGQZXSYDGPM-JKSUJKDBSA-N 1 2 386.901 2.026 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CC[C@H]2CCOC(=O)[C@@H]21)c1ccc(Br)cc1 ZINC000366642171 532919749 /nfs/dbraw/zinc/91/97/49/532919749.db2.gz MZTQBEICWXMGOF-DETPVDSQSA-N 1 2 381.270 2.264 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CC[C@H]2CCOC(=O)[C@@H]21)c1ccc(Br)cc1 ZINC000366642171 532919751 /nfs/dbraw/zinc/91/97/51/532919751.db2.gz MZTQBEICWXMGOF-DETPVDSQSA-N 1 2 381.270 2.264 20 0 GEADLO CCOC(=O)c1csc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)n1 ZINC000293031343 532921281 /nfs/dbraw/zinc/92/12/81/532921281.db2.gz WFTBXQMRBPRYQE-NSHDSACASA-N 1 2 383.495 2.079 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000293150452 532922735 /nfs/dbraw/zinc/92/27/35/532922735.db2.gz BDGYYUGANROPNF-SECBINFHSA-N 1 2 398.282 2.349 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000293150456 532922767 /nfs/dbraw/zinc/92/27/67/532922767.db2.gz BDGYYUGANROPNF-VIFPVBQESA-N 1 2 398.282 2.349 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000367143400 532922964 /nfs/dbraw/zinc/92/29/64/532922964.db2.gz HXUUXBNGENEHQF-DOMZBBRYSA-N 1 2 378.778 2.164 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000367143400 532922966 /nfs/dbraw/zinc/92/29/66/532922966.db2.gz HXUUXBNGENEHQF-DOMZBBRYSA-N 1 2 378.778 2.164 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000367213256 532923408 /nfs/dbraw/zinc/92/34/08/532923408.db2.gz MZYHRPPJKPQOPF-GFCCVEGCSA-N 1 2 379.917 2.612 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000367213256 532923410 /nfs/dbraw/zinc/92/34/10/532923410.db2.gz MZYHRPPJKPQOPF-GFCCVEGCSA-N 1 2 379.917 2.612 20 0 GEADLO COc1cc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc(Cl)c1OC ZINC000367681747 532926403 /nfs/dbraw/zinc/92/64/03/532926403.db2.gz FAAHHALESPJEPH-ZDUSSCGKSA-N 1 2 376.906 2.213 20 0 GEADLO COc1cc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc(Cl)c1OC ZINC000367681747 532926405 /nfs/dbraw/zinc/92/64/05/532926405.db2.gz FAAHHALESPJEPH-ZDUSSCGKSA-N 1 2 376.906 2.213 20 0 GEADLO CS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000367999311 532929468 /nfs/dbraw/zinc/92/94/68/532929468.db2.gz COBZZJVOVRZOPT-SNVBAGLBSA-N 1 2 383.861 2.114 20 0 GEADLO CS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000367999311 532929469 /nfs/dbraw/zinc/92/94/69/532929469.db2.gz COBZZJVOVRZOPT-SNVBAGLBSA-N 1 2 383.861 2.114 20 0 GEADLO OC[C@@H]1C[N@H+](Cc2nnn(CC(F)(F)F)n2)C[C@H]1c1ccc(Cl)cc1 ZINC000368056083 532929865 /nfs/dbraw/zinc/92/98/65/532929865.db2.gz QXZGMANKMUUKDY-AAEUAGOBSA-N 1 2 375.782 2.097 20 0 GEADLO OC[C@@H]1C[N@@H+](Cc2nnn(CC(F)(F)F)n2)C[C@H]1c1ccc(Cl)cc1 ZINC000368056083 532929867 /nfs/dbraw/zinc/92/98/67/532929867.db2.gz QXZGMANKMUUKDY-AAEUAGOBSA-N 1 2 375.782 2.097 20 0 GEADLO C[C@H]1C[N@@H+](C2CCN(S(=O)(=O)c3ccc(Cl)nc3Cl)CC2)CCO1 ZINC000368859908 532934823 /nfs/dbraw/zinc/93/48/23/532934823.db2.gz RNUSXWXYXVBBFA-NSHDSACASA-N 1 2 394.324 2.262 20 0 GEADLO C[C@H]1C[N@H+](C2CCN(S(=O)(=O)c3ccc(Cl)nc3Cl)CC2)CCO1 ZINC000368859908 532934825 /nfs/dbraw/zinc/93/48/25/532934825.db2.gz RNUSXWXYXVBBFA-NSHDSACASA-N 1 2 394.324 2.262 20 0 GEADLO CC[C@@H]1CN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C[C@H](C)[S@@]1=O ZINC000368551655 532933289 /nfs/dbraw/zinc/93/32/89/532933289.db2.gz RIELZJPNVALMDP-VPXKQDMUSA-N 1 2 383.583 2.422 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccccc1Br ZINC000368748923 532934109 /nfs/dbraw/zinc/93/41/09/532934109.db2.gz RWFATICSVCKUNY-UHFFFAOYSA-N 1 2 391.269 2.279 20 0 GEADLO Brc1cccc(-c2noc(C[N@@H+]3CCN4CCOC[C@@H]4C3)n2)c1 ZINC000368813408 532934689 /nfs/dbraw/zinc/93/46/89/532934689.db2.gz GGOPAPKLZCBQFX-AWEZNQCLSA-N 1 2 379.258 2.016 20 0 GEADLO Brc1cccc(-c2noc(C[N@H+]3CCN4CCOC[C@@H]4C3)n2)c1 ZINC000368813408 532934690 /nfs/dbraw/zinc/93/46/90/532934690.db2.gz GGOPAPKLZCBQFX-AWEZNQCLSA-N 1 2 379.258 2.016 20 0 GEADLO Cn1cc(Br)c(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000294024344 532934691 /nfs/dbraw/zinc/93/46/91/532934691.db2.gz FDOLCXPNYYHMGQ-GFCCVEGCSA-N 1 2 387.228 2.494 20 0 GEADLO C[N@@H+]1CCC[C@@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000369079748 532936839 /nfs/dbraw/zinc/93/68/39/532936839.db2.gz XNXGOJSVBJKDBO-HOCLYGCPSA-N 1 2 384.929 2.416 20 0 GEADLO C[N@H+]1CCC[C@@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000369079748 532936841 /nfs/dbraw/zinc/93/68/41/532936841.db2.gz XNXGOJSVBJKDBO-HOCLYGCPSA-N 1 2 384.929 2.416 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000294220129 532937085 /nfs/dbraw/zinc/93/70/85/532937085.db2.gz MDJWJMYUBDKGEP-UHFFFAOYSA-N 1 2 383.857 2.017 20 0 GEADLO CSc1ccc([C@H](CNC(=O)C2(S(C)(=O)=O)CCCC2)[NH+](C)C)cc1 ZINC000294282694 532937635 /nfs/dbraw/zinc/93/76/35/532937635.db2.gz GYWKQHAELMQIMP-INIZCTEOSA-N 1 2 384.567 2.485 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000369288108 532937693 /nfs/dbraw/zinc/93/76/93/532937693.db2.gz NPPFDWKMEHGSMK-AWEZNQCLSA-N 1 2 381.523 2.332 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000369288108 532937695 /nfs/dbraw/zinc/93/76/95/532937695.db2.gz NPPFDWKMEHGSMK-AWEZNQCLSA-N 1 2 381.523 2.332 20 0 GEADLO CCS(=O)(=O)CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000369339489 532938662 /nfs/dbraw/zinc/93/86/62/532938662.db2.gz XYOYUNLAJZIGGO-HOCLYGCPSA-N 1 2 387.933 2.067 20 0 GEADLO CCS(=O)(=O)CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000369339489 532938664 /nfs/dbraw/zinc/93/86/64/532938664.db2.gz XYOYUNLAJZIGGO-HOCLYGCPSA-N 1 2 387.933 2.067 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cncc(I)c2)C1 ZINC000369353821 532939117 /nfs/dbraw/zinc/93/91/17/532939117.db2.gz OXIGHDUZWKVRFD-LLVKDONJSA-N 1 2 396.232 2.440 20 0 GEADLO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](S(N)(=O)=O)C3)cs2)cc1 ZINC000370249180 532942624 /nfs/dbraw/zinc/94/26/24/532942624.db2.gz DDDTVQAJQZMDGX-MRXNPFEDSA-N 1 2 381.523 2.462 20 0 GEADLO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](S(N)(=O)=O)C3)cs2)cc1 ZINC000370249180 532942625 /nfs/dbraw/zinc/94/26/25/532942625.db2.gz DDDTVQAJQZMDGX-MRXNPFEDSA-N 1 2 381.523 2.462 20 0 GEADLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000370322432 532942975 /nfs/dbraw/zinc/94/29/75/532942975.db2.gz DIKQZUIDSKAIHH-GFCCVEGCSA-N 1 2 384.299 2.250 20 0 GEADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000370322432 532942976 /nfs/dbraw/zinc/94/29/76/532942976.db2.gz DIKQZUIDSKAIHH-GFCCVEGCSA-N 1 2 384.299 2.250 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370425095 532943340 /nfs/dbraw/zinc/94/33/40/532943340.db2.gz QXPHRVLWOBFSRZ-KBPBESRZSA-N 1 2 383.286 2.150 20 0 GEADLO O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370417082 532943440 /nfs/dbraw/zinc/94/34/40/532943440.db2.gz WTVTVAYJORRLFX-GVDBMIGSSA-N 1 2 379.298 2.486 20 0 GEADLO O=C(c1cc(Cl)sc1Cl)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000370037227 532941806 /nfs/dbraw/zinc/94/18/06/532941806.db2.gz PWMHAXFWAZEMLK-LLVKDONJSA-N 1 2 376.309 2.481 20 0 GEADLO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1nc2ccccn2c1Br ZINC000370743981 532945196 /nfs/dbraw/zinc/94/51/96/532945196.db2.gz ZNMGCGFCXWEMBG-CYBMUJFWSA-N 1 2 390.285 2.453 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000370825469 532945520 /nfs/dbraw/zinc/94/55/20/532945520.db2.gz AXKLXOTXQCUDOC-UHFFFAOYSA-N 1 2 377.794 2.253 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000370825469 532945521 /nfs/dbraw/zinc/94/55/21/532945521.db2.gz AXKLXOTXQCUDOC-UHFFFAOYSA-N 1 2 377.794 2.253 20 0 GEADLO CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000370864709 532945935 /nfs/dbraw/zinc/94/59/35/532945935.db2.gz GFPHZGDNHMCGFX-CZUORRHYSA-N 1 2 385.555 2.138 20 0 GEADLO CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000370864709 532945936 /nfs/dbraw/zinc/94/59/36/532945936.db2.gz GFPHZGDNHMCGFX-CZUORRHYSA-N 1 2 385.555 2.138 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000370553098 532944154 /nfs/dbraw/zinc/94/41/54/532944154.db2.gz AVBWRPHPNCTZQU-UHFFFAOYSA-N 1 2 383.905 2.327 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000371323966 532947482 /nfs/dbraw/zinc/94/74/82/532947482.db2.gz SNJJQEGFMDTZBF-SNVBAGLBSA-N 1 2 388.262 2.500 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000371516219 532948290 /nfs/dbraw/zinc/94/82/90/532948290.db2.gz DFYHOOFNSJXHCC-LBPRGKRZSA-N 1 2 388.295 2.041 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000371516219 532948291 /nfs/dbraw/zinc/94/82/91/532948291.db2.gz DFYHOOFNSJXHCC-LBPRGKRZSA-N 1 2 388.295 2.041 20 0 GEADLO NS(=O)(=O)C1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000371194490 532947185 /nfs/dbraw/zinc/94/71/85/532947185.db2.gz DUWBEEFPHVNLNE-UHFFFAOYSA-N 1 2 385.486 2.114 20 0 GEADLO O=C(CSc1ccccc1Cl)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000371211984 532947220 /nfs/dbraw/zinc/94/72/20/532947220.db2.gz FUSMRFRYRCCFMO-GOSISDBHSA-N 1 2 384.929 2.430 20 0 GEADLO Cc1cc(NC(=O)CN(C)c2cc(N[C@@H]3CCCO[C@@H]3C(C)C)[nH+]cn2)no1 ZINC000275764205 570699460 /nfs/dbraw/zinc/69/94/60/570699460.db2.gz RTBRNHPPHBXFSY-AUUYWEPGSA-N 1 2 388.472 2.463 20 0 GEADLO Cc1cc(NC(=O)CN(C)c2cc(N[C@@H]3CCCO[C@@H]3C(C)C)nc[nH+]2)no1 ZINC000275764205 570699464 /nfs/dbraw/zinc/69/94/64/570699464.db2.gz RTBRNHPPHBXFSY-AUUYWEPGSA-N 1 2 388.472 2.463 20 0 GEADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCO[C@H](c3cnn(C)c3)C2)nc[nH+]1 ZINC000275799731 570699768 /nfs/dbraw/zinc/69/97/68/570699768.db2.gz USXSTBREAAXISH-UWVAXJGDSA-N 1 2 386.500 2.404 20 0 GEADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCO[C@H](c3cnn(C)c3)C2)[nH+]cn1 ZINC000275799731 570699771 /nfs/dbraw/zinc/69/97/71/570699771.db2.gz USXSTBREAAXISH-UWVAXJGDSA-N 1 2 386.500 2.404 20 0 GEADLO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)CCc1ccccc1OC ZINC000736899550 598862117 /nfs/dbraw/zinc/86/21/17/598862117.db2.gz BPLUBIIFIQXIND-GOSISDBHSA-N 1 2 381.436 2.264 20 0 GEADLO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)CCc1ccccc1OC ZINC000736899550 598862118 /nfs/dbraw/zinc/86/21/18/598862118.db2.gz BPLUBIIFIQXIND-GOSISDBHSA-N 1 2 381.436 2.264 20 0 GEADLO CCc1nc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cs1 ZINC000736699373 598961271 /nfs/dbraw/zinc/96/12/71/598961271.db2.gz NULYBPYBHFWNOW-RISCZKNCSA-N 1 2 383.481 2.342 20 0 GEADLO CCc1[nH+]ccn1[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000736705601 598966191 /nfs/dbraw/zinc/96/61/91/598966191.db2.gz LZOXBSUGIRMZET-CYBMUJFWSA-N 1 2 375.440 2.410 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(c2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000736204431 598968917 /nfs/dbraw/zinc/96/89/17/598968917.db2.gz ROUOMBGEKRMGNS-CQSZACIVSA-N 1 2 387.451 2.088 20 0 GEADLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1ccc(-c2nn[nH]n2)cc1 ZINC000737821007 599059563 /nfs/dbraw/zinc/05/95/63/599059563.db2.gz UEVWIRHYVDLFMM-IBGZPJMESA-N 1 2 393.447 2.201 20 0 GEADLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1ccc(-c2nn[nH]n2)cc1 ZINC000737821007 599059565 /nfs/dbraw/zinc/05/95/65/599059565.db2.gz UEVWIRHYVDLFMM-IBGZPJMESA-N 1 2 393.447 2.201 20 0 GEADLO CC(C)OCc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735904390 599088222 /nfs/dbraw/zinc/08/82/22/599088222.db2.gz NUUDTZRKJLCQTC-SFHVURJKSA-N 1 2 380.452 2.108 20 0 GEADLO NC(=O)[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736618 599092385 /nfs/dbraw/zinc/09/23/85/599092385.db2.gz JSURWRIHLPNHFG-CQSZACIVSA-N 1 2 394.332 2.341 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736205090 599132414 /nfs/dbraw/zinc/13/24/14/599132414.db2.gz XFPNIYJNUNMFCP-QGZVFWFLSA-N 1 2 393.495 2.409 20 0 GEADLO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000736481680 599203971 /nfs/dbraw/zinc/20/39/71/599203971.db2.gz SKUUPLBLOOKIFM-FQEVSTJZSA-N 1 2 384.484 2.457 20 0 GEADLO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000736481680 599203973 /nfs/dbraw/zinc/20/39/73/599203973.db2.gz SKUUPLBLOOKIFM-FQEVSTJZSA-N 1 2 384.484 2.457 20 0 GEADLO c1nn2c(c1-c1nn[nH]n1)NC[C@H](CNc1ccc([NH+]3CCCCC3)cc1)C2 ZINC000823756669 607308823 /nfs/dbraw/zinc/30/88/23/607308823.db2.gz DRASKOBXQHQOEI-AWEZNQCLSA-N 1 2 379.472 2.207 20 0 GEADLO CCCC(=O)N[C@H]1CCC[N@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000736414187 598234712 /nfs/dbraw/zinc/23/47/12/598234712.db2.gz WUAUSRGNSTWUOH-KRWDZBQOSA-N 1 2 394.483 2.068 20 0 GEADLO CCCC(=O)N[C@H]1CCC[N@@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000736414187 598234714 /nfs/dbraw/zinc/23/47/14/598234714.db2.gz WUAUSRGNSTWUOH-KRWDZBQOSA-N 1 2 394.483 2.068 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735560273 598252305 /nfs/dbraw/zinc/25/23/05/598252305.db2.gz DHIGPRQAXHWNSN-HNNXBMFYSA-N 1 2 377.452 2.016 20 0 GEADLO O=C(c1cc2ccccc2[nH]1)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000738248078 598255651 /nfs/dbraw/zinc/25/56/51/598255651.db2.gz MYZUJLAFMMRXPE-UHFFFAOYSA-N 1 2 387.447 2.306 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000735565005 598257498 /nfs/dbraw/zinc/25/74/98/598257498.db2.gz ZZDZGXNSMMPIEG-IFXJQAMLSA-N 1 2 392.463 2.440 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000735565005 598257499 /nfs/dbraw/zinc/25/74/99/598257499.db2.gz ZZDZGXNSMMPIEG-IFXJQAMLSA-N 1 2 392.463 2.440 20 0 GEADLO Clc1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)nc1-c1nn[nH]n1 ZINC000737574787 598277251 /nfs/dbraw/zinc/27/72/51/598277251.db2.gz PIUPAXQBCNCRDF-UHFFFAOYSA-N 1 2 385.859 2.359 20 0 GEADLO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)C2)c1 ZINC000737443279 598368285 /nfs/dbraw/zinc/36/82/85/598368285.db2.gz IHALWVGJWUFBRT-HIFRSBDPSA-N 1 2 398.471 2.246 20 0 GEADLO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)C2)c1 ZINC000737443279 598368287 /nfs/dbraw/zinc/36/82/87/598368287.db2.gz IHALWVGJWUFBRT-HIFRSBDPSA-N 1 2 398.471 2.246 20 0 GEADLO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)C2 ZINC000735940018 598374702 /nfs/dbraw/zinc/37/47/02/598374702.db2.gz OVQABXVWACWATB-ZDUSSCGKSA-N 1 2 394.483 2.109 20 0 GEADLO Cc1cc(N2CCN(c3ncc(-c4nn[nH]n4)cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000737273222 598388468 /nfs/dbraw/zinc/38/84/68/598388468.db2.gz ZLFJJZNMWVJLKT-UHFFFAOYSA-N 1 2 399.890 2.464 20 0 GEADLO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000735873934 598428985 /nfs/dbraw/zinc/42/89/85/598428985.db2.gz FBDUKIRTWVMKTQ-UHFFFAOYSA-N 1 2 382.472 2.464 20 0 GEADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)cn2)C[C@@H](C)O1 ZINC000736289160 598445420 /nfs/dbraw/zinc/44/54/20/598445420.db2.gz KDJBJZRSFHPTPZ-ZIAGYGMSSA-N 1 2 393.451 2.123 20 0 GEADLO O=C(Cc1cccc(Cl)c1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737965609 598496227 /nfs/dbraw/zinc/49/62/27/598496227.db2.gz BDQDWWZYWKHYJB-UHFFFAOYSA-N 1 2 396.882 2.407 20 0 GEADLO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000737548759 598501626 /nfs/dbraw/zinc/50/16/26/598501626.db2.gz RCESHYCCAVBUIA-CYBMUJFWSA-N 1 2 392.423 2.302 20 0 GEADLO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1nc(-c2cccs2)no1 ZINC000736804782 598505577 /nfs/dbraw/zinc/50/55/77/598505577.db2.gz VUJWXHFYXKQZIY-UHFFFAOYSA-N 1 2 383.437 2.489 20 0 GEADLO C[N@@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1nc(-c2cccs2)no1 ZINC000736804782 598505580 /nfs/dbraw/zinc/50/55/80/598505580.db2.gz VUJWXHFYXKQZIY-UHFFFAOYSA-N 1 2 383.437 2.489 20 0 GEADLO COc1ccccc1C[NH+]1CCN(c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000737150001 598551089 /nfs/dbraw/zinc/55/10/89/598551089.db2.gz JNKVWWQVFQPATG-UHFFFAOYSA-N 1 2 385.859 2.246 20 0 GEADLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737150038 598554509 /nfs/dbraw/zinc/55/45/09/598554509.db2.gz KOCFFYCPDHMUIQ-UHFFFAOYSA-N 1 2 393.451 2.225 20 0 GEADLO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)c1nncn1C ZINC000736135157 598561290 /nfs/dbraw/zinc/56/12/90/598561290.db2.gz NMWULERXFUAOIH-CQSZACIVSA-N 1 2 390.451 2.425 20 0 GEADLO C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736817004 598615746 /nfs/dbraw/zinc/61/57/46/598615746.db2.gz SXRIBQLLJYRPTL-INIZCTEOSA-N 1 2 396.838 2.284 20 0 GEADLO C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736817004 598615748 /nfs/dbraw/zinc/61/57/48/598615748.db2.gz SXRIBQLLJYRPTL-INIZCTEOSA-N 1 2 396.838 2.284 20 0 GEADLO COc1ccc(CC(N)=[NH+]OCc2ccc(F)cc2-c2nn[nH]n2)cc1OC ZINC000737087238 598675599 /nfs/dbraw/zinc/67/55/99/598675599.db2.gz MDBVFUGDCIZMRL-UHFFFAOYSA-N 1 2 386.387 2.264 20 0 GEADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000736636498 598729550 /nfs/dbraw/zinc/72/95/50/598729550.db2.gz KQRIDLZALVKIPO-UHFFFAOYSA-N 1 2 382.428 2.331 20 0 GEADLO OC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738393070 598756411 /nfs/dbraw/zinc/75/64/11/598756411.db2.gz IIMFNSAGKFPIIF-GOSISDBHSA-N 1 2 384.871 2.376 20 0 GEADLO O=C([C@@H]1CCc2ccccc21)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737789825 598816208 /nfs/dbraw/zinc/81/62/08/598816208.db2.gz CXESJNHTUQHIDI-HXUWFJFHSA-N 1 2 388.475 2.241 20 0 GEADLO COc1ccccc1C(=O)N1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737139314 599310387 /nfs/dbraw/zinc/31/03/87/599310387.db2.gz VQLZFUQEKSWLHG-HNNXBMFYSA-N 1 2 392.463 2.394 20 0 GEADLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000736818542 599362268 /nfs/dbraw/zinc/36/22/68/599362268.db2.gz SCLBWQVTXBAMKE-SFHVURJKSA-N 1 2 378.436 2.320 20 0 GEADLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000736818542 599362272 /nfs/dbraw/zinc/36/22/72/599362272.db2.gz SCLBWQVTXBAMKE-SFHVURJKSA-N 1 2 378.436 2.320 20 0 GEADLO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCCCNc1cccc[nH+]1 ZINC000737549726 599389289 /nfs/dbraw/zinc/38/92/89/599389289.db2.gz YAXCTTBZTVCPEQ-UHFFFAOYSA-N 1 2 392.423 2.186 20 0 GEADLO CN1CC[N@H+](CCCNc2cccc(-c3nn[nH]n3)n2)[C@@H](c2ccccc2)C1 ZINC000736865172 599406686 /nfs/dbraw/zinc/40/66/86/599406686.db2.gz WKNCTHHVKSUIQC-GOSISDBHSA-N 1 2 378.484 2.052 20 0 GEADLO CN1CC[N@@H+](CCCNc2cccc(-c3nn[nH]n3)n2)[C@@H](c2ccccc2)C1 ZINC000736865172 599406689 /nfs/dbraw/zinc/40/66/89/599406689.db2.gz WKNCTHHVKSUIQC-GOSISDBHSA-N 1 2 378.484 2.052 20 0 GEADLO C[N@@H+]1CCN(CCCNc2cccc(-c3nn[nH]n3)n2)[C@@H](c2ccccc2)C1 ZINC000736865172 599406692 /nfs/dbraw/zinc/40/66/92/599406692.db2.gz WKNCTHHVKSUIQC-GOSISDBHSA-N 1 2 378.484 2.052 20 0 GEADLO C[N@H+]1CCN(CCCNc2cccc(-c3nn[nH]n3)n2)[C@@H](c2ccccc2)C1 ZINC000736865172 599406695 /nfs/dbraw/zinc/40/66/95/599406695.db2.gz WKNCTHHVKSUIQC-GOSISDBHSA-N 1 2 378.484 2.052 20 0 GEADLO Brc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc2c1OCO2 ZINC000819689029 599413594 /nfs/dbraw/zinc/41/35/94/599413594.db2.gz SPUHCWZHCGJECJ-UHFFFAOYSA-N 1 2 378.186 2.241 20 0 GEADLO COc1ccc(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)n2)cc1-c1nn[nH]n1 ZINC000821817917 599423271 /nfs/dbraw/zinc/42/32/71/599423271.db2.gz BQLRJFGCTNCQJM-UHFFFAOYSA-N 1 2 396.842 2.399 20 0 GEADLO FC(F)(F)CO[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000737626120 599485032 /nfs/dbraw/zinc/48/50/32/599485032.db2.gz GHOZAIVVMBAZCF-ZDUSSCGKSA-N 1 2 381.362 2.058 20 0 GEADLO FC(F)(F)CO[C@H]1CCC[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000737626120 599485034 /nfs/dbraw/zinc/48/50/34/599485034.db2.gz GHOZAIVVMBAZCF-ZDUSSCGKSA-N 1 2 381.362 2.058 20 0 GEADLO CCO[C@@H]1C[C@H](O)C12CCN(c1c(-c3nn[nH]n3)c[nH+]c3ccccc31)CC2 ZINC000821357844 599571250 /nfs/dbraw/zinc/57/12/50/599571250.db2.gz FZNKTBZELWDMTM-DLBZAZTESA-N 1 2 380.452 2.171 20 0 GEADLO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)N[C@@](CC)(C(C)C)C1=O ZINC000736479459 599577826 /nfs/dbraw/zinc/57/78/26/599577826.db2.gz HTTIPFQBONOTMD-FQEVSTJZSA-N 1 2 399.499 2.393 20 0 GEADLO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C(=O)N[C@@](CC)(C(C)C)C1=O ZINC000736479459 599577829 /nfs/dbraw/zinc/57/78/29/599577829.db2.gz HTTIPFQBONOTMD-FQEVSTJZSA-N 1 2 399.499 2.393 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000821702367 599592432 /nfs/dbraw/zinc/59/24/32/599592432.db2.gz QZLQZXNUADSXKA-KRWDZBQOSA-N 1 2 381.436 2.328 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000821702367 599592434 /nfs/dbraw/zinc/59/24/34/599592434.db2.gz QZLQZXNUADSXKA-KRWDZBQOSA-N 1 2 381.436 2.328 20 0 GEADLO O=C(c1cc2ccccn2c1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823472595 599696193 /nfs/dbraw/zinc/69/61/93/599696193.db2.gz RUFNTFAKGNFIRZ-UHFFFAOYSA-N 1 2 387.447 2.077 20 0 GEADLO O=C(Cn1nc(C(F)(F)F)c2c[nH+]ccc21)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826425783 607446072 /nfs/dbraw/zinc/44/60/72/607446072.db2.gz SZTNGUGCMYPTMU-UHFFFAOYSA-N 1 2 388.313 2.269 20 0 GEADLO Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3C(=O)[O-])C2)[nH+]1 ZINC000738735333 600471490 /nfs/dbraw/zinc/47/14/90/600471490.db2.gz AISMLYYEPLGPBR-MRXNPFEDSA-N 1 2 382.464 2.485 20 0 GEADLO Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3C(=O)[O-])C2)[nH+]1 ZINC000738735333 600471492 /nfs/dbraw/zinc/47/14/92/600471492.db2.gz AISMLYYEPLGPBR-MRXNPFEDSA-N 1 2 382.464 2.485 20 0 GEADLO Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c12 ZINC000738363851 600498346 /nfs/dbraw/zinc/49/83/46/600498346.db2.gz OGZFHYCZILSBEB-ZDUSSCGKSA-N 1 2 389.525 2.009 20 0 GEADLO Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c12 ZINC000738363851 600498350 /nfs/dbraw/zinc/49/83/50/600498350.db2.gz OGZFHYCZILSBEB-ZDUSSCGKSA-N 1 2 389.525 2.009 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H](CO)c1ccccc1 ZINC000821593807 607449195 /nfs/dbraw/zinc/44/91/95/607449195.db2.gz KZPLGFZJIMXESP-INIZCTEOSA-N 1 2 386.843 2.124 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H](CO)c1ccccc1 ZINC000821593807 607449197 /nfs/dbraw/zinc/44/91/97/607449197.db2.gz KZPLGFZJIMXESP-INIZCTEOSA-N 1 2 386.843 2.124 20 0 GEADLO O=C([O-])c1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000833335725 600798134 /nfs/dbraw/zinc/79/81/34/600798134.db2.gz BBUKSKPETTXKHD-HIFRSBDPSA-N 1 2 386.477 2.381 20 0 GEADLO O=C([O-])c1ccsc1N1CC[C@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000833335725 600798137 /nfs/dbraw/zinc/79/81/37/600798137.db2.gz BBUKSKPETTXKHD-HIFRSBDPSA-N 1 2 386.477 2.381 20 0 GEADLO C[NH+]1CCC(CNC(=O)CCc2ccc(C(=O)[O-])cc2)([NH+]2CCCCC2)CC1 ZINC000737507642 601043642 /nfs/dbraw/zinc/04/36/42/601043642.db2.gz AOWZTPNUZKAMLW-UHFFFAOYSA-N 1 2 387.524 2.384 20 0 GEADLO CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000827027347 601349063 /nfs/dbraw/zinc/34/90/63/601349063.db2.gz IUXGFNPQKBEGRC-MRXNPFEDSA-N 1 2 395.525 2.031 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000826183379 607642999 /nfs/dbraw/zinc/64/29/99/607642999.db2.gz NSAXQIGLPNRBLB-UHFFFAOYSA-N 1 2 382.443 2.332 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+]C(C)(C)CC(=O)[O-])CC2)cc1 ZINC000827123800 604440820 /nfs/dbraw/zinc/44/08/20/604440820.db2.gz DQMNCGKVPOYKRQ-UHFFFAOYSA-N 1 2 375.513 2.297 20 0 GEADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H](C)O1 ZINC000824992049 607699483 /nfs/dbraw/zinc/69/94/83/607699483.db2.gz JFWCNWZYKASJRQ-CHWSQXEVSA-N 1 2 381.440 2.056 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000444793641 649952469 /nfs/dbraw/zinc/95/24/69/649952469.db2.gz PQVOZNKORPASPT-AWEZNQCLSA-N 1 2 389.901 2.405 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000444793641 649952472 /nfs/dbraw/zinc/95/24/72/649952472.db2.gz PQVOZNKORPASPT-AWEZNQCLSA-N 1 2 389.901 2.405 20 0 GEADLO C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000826067654 605102501 /nfs/dbraw/zinc/10/25/01/605102501.db2.gz LTKPSSDAQWVNOV-LMSBXDPUSA-N 1 2 376.501 2.385 20 0 GEADLO C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000826067654 605102504 /nfs/dbraw/zinc/10/25/04/605102504.db2.gz LTKPSSDAQWVNOV-LMSBXDPUSA-N 1 2 376.501 2.385 20 0 GEADLO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000833627750 605134843 /nfs/dbraw/zinc/13/48/43/605134843.db2.gz ZQHRZSZSVTUCHT-PBHICJAKSA-N 1 2 396.919 2.133 20 0 GEADLO C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000833627750 605134846 /nfs/dbraw/zinc/13/48/46/605134846.db2.gz ZQHRZSZSVTUCHT-PBHICJAKSA-N 1 2 396.919 2.133 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000823229230 606019022 /nfs/dbraw/zinc/01/90/22/606019022.db2.gz HUDNNXTUSVXQLV-UHFFFAOYSA-N 1 2 389.419 2.141 20 0 GEADLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000821825230 606038571 /nfs/dbraw/zinc/03/85/71/606038571.db2.gz UZSNSMQZSBIRFO-UHFFFAOYSA-N 1 2 385.859 2.246 20 0 GEADLO Cc1nc2ccccn2c1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000822463770 606101012 /nfs/dbraw/zinc/10/10/12/606101012.db2.gz WMJVTDXJVNPZOC-UHFFFAOYSA-N 1 2 392.442 2.284 20 0 GEADLO Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000822235056 606107965 /nfs/dbraw/zinc/10/79/65/606107965.db2.gz QACSVNUCYSLBIR-UHFFFAOYSA-N 1 2 380.452 2.045 20 0 GEADLO CN1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@H](c2ccccc2)C1 ZINC000821627358 606158458 /nfs/dbraw/zinc/15/84/58/606158458.db2.gz YGHBEWRCAIZOHL-INIZCTEOSA-N 1 2 397.508 2.246 20 0 GEADLO CN1CC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)[C@H](c2ccccc2)C1 ZINC000821627358 606158463 /nfs/dbraw/zinc/15/84/63/606158463.db2.gz YGHBEWRCAIZOHL-INIZCTEOSA-N 1 2 397.508 2.246 20 0 GEADLO CC[N@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821214069 606186260 /nfs/dbraw/zinc/18/62/60/606186260.db2.gz GZOLBZGZTSHYPN-UHFFFAOYSA-N 1 2 385.493 2.205 20 0 GEADLO CC[N@@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821214069 606186261 /nfs/dbraw/zinc/18/62/61/606186261.db2.gz GZOLBZGZTSHYPN-UHFFFAOYSA-N 1 2 385.493 2.205 20 0 GEADLO CCCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445886898 649965605 /nfs/dbraw/zinc/96/56/05/649965605.db2.gz PGTFDDKNXNFTRJ-ZDUSSCGKSA-N 1 2 384.274 2.440 20 0 GEADLO CCCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445886898 649965610 /nfs/dbraw/zinc/96/56/10/649965610.db2.gz PGTFDDKNXNFTRJ-ZDUSSCGKSA-N 1 2 384.274 2.440 20 0 GEADLO CCCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445886896 649965671 /nfs/dbraw/zinc/96/56/71/649965671.db2.gz PGTFDDKNXNFTRJ-CYBMUJFWSA-N 1 2 384.274 2.440 20 0 GEADLO CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445886896 649965677 /nfs/dbraw/zinc/96/56/77/649965677.db2.gz PGTFDDKNXNFTRJ-CYBMUJFWSA-N 1 2 384.274 2.440 20 0 GEADLO O=C(Cc1cccc(-c2nn[nH]n2)c1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000823104466 606514163 /nfs/dbraw/zinc/51/41/63/606514163.db2.gz XILCNQOTDUMQJL-UHFFFAOYSA-N 1 2 377.452 2.111 20 0 GEADLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CCO1 ZINC000821660112 606520975 /nfs/dbraw/zinc/52/09/75/606520975.db2.gz GFSJLORVAZROSF-QGZVFWFLSA-N 1 2 393.447 2.298 20 0 GEADLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CCO1 ZINC000821660112 606520977 /nfs/dbraw/zinc/52/09/77/606520977.db2.gz GFSJLORVAZROSF-QGZVFWFLSA-N 1 2 393.447 2.298 20 0 GEADLO Cn1cc[nH+]c1C[C@H](NC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000822699153 606577762 /nfs/dbraw/zinc/57/77/62/606577762.db2.gz QGJFQJOEXCHJQZ-SFHVURJKSA-N 1 2 387.447 2.243 20 0 GEADLO C[C@H](N1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1)C(F)(F)F ZINC000820308822 606615579 /nfs/dbraw/zinc/61/55/79/606615579.db2.gz YWOUEJDSAZIYPC-LBPRGKRZSA-N 1 2 379.390 2.188 20 0 GEADLO c1cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)sc1-c1nn[nH]n1 ZINC000823751325 606620509 /nfs/dbraw/zinc/62/05/09/606620509.db2.gz GEQVGVAAEZXHNG-UHFFFAOYSA-N 1 2 395.448 2.477 20 0 GEADLO CC1(C(=O)N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)CCC1 ZINC000820577838 606629831 /nfs/dbraw/zinc/62/98/31/606629831.db2.gz WBHSCYKEXQAGLQ-UHFFFAOYSA-N 1 2 377.452 2.254 20 0 GEADLO CC(C)c1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000820192499 606776669 /nfs/dbraw/zinc/77/66/69/606776669.db2.gz QJIQHIHURHJMRN-UHFFFAOYSA-N 1 2 391.479 2.343 20 0 GEADLO O[C@H](C[N@H+](Cc1cc[nH]n1)Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672140 606898086 /nfs/dbraw/zinc/89/80/86/606898086.db2.gz BHYITQLKIVCUAY-LJQANCHMSA-N 1 2 375.436 2.326 20 0 GEADLO O[C@H](C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672140 606898088 /nfs/dbraw/zinc/89/80/88/606898088.db2.gz BHYITQLKIVCUAY-LJQANCHMSA-N 1 2 375.436 2.326 20 0 GEADLO CCO[C@H](C)c1noc(C[N@H+](C)CCCOc2cccc(-c3nn[nH]n3)c2)n1 ZINC000821345935 606905633 /nfs/dbraw/zinc/90/56/33/606905633.db2.gz ATKMKYSWTRBECI-CYBMUJFWSA-N 1 2 387.444 2.248 20 0 GEADLO CCO[C@H](C)c1noc(C[N@@H+](C)CCCOc2cccc(-c3nn[nH]n3)c2)n1 ZINC000821345935 606905635 /nfs/dbraw/zinc/90/56/35/606905635.db2.gz ATKMKYSWTRBECI-CYBMUJFWSA-N 1 2 387.444 2.248 20 0 GEADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000823673358 606915515 /nfs/dbraw/zinc/91/55/15/606915515.db2.gz LGYAHXFGBXITNN-PKOBYXMFSA-N 1 2 383.427 2.330 20 0 GEADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000823673358 606915516 /nfs/dbraw/zinc/91/55/16/606915516.db2.gz LGYAHXFGBXITNN-PKOBYXMFSA-N 1 2 383.427 2.330 20 0 GEADLO O[C@@H](C[C@H]1COCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823672378 606915896 /nfs/dbraw/zinc/91/58/96/606915896.db2.gz DHWDBWREYRYYOW-WMZOPIPTSA-N 1 2 399.451 2.053 20 0 GEADLO O[C@@H](C[C@H]1COCC[N@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823672378 606915897 /nfs/dbraw/zinc/91/58/97/606915897.db2.gz DHWDBWREYRYYOW-WMZOPIPTSA-N 1 2 399.451 2.053 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000822705140 606941117 /nfs/dbraw/zinc/94/11/17/606941117.db2.gz WZVPNYHXHCJHSF-UHFFFAOYSA-N 1 2 394.460 2.382 20 0 GEADLO CC(C)(C)n1cc(CN2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)cn1 ZINC000819975759 607063628 /nfs/dbraw/zinc/06/36/28/607063628.db2.gz BPPDGZLOXQCJRS-UHFFFAOYSA-N 1 2 398.490 2.275 20 0 GEADLO CC(C)(C)OC1CC[NH+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000819946447 607088240 /nfs/dbraw/zinc/08/82/40/607088240.db2.gz KLTDWEFZKWSASS-CQSZACIVSA-N 1 2 390.513 2.313 20 0 GEADLO CC(C)CO[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000820096669 607090007 /nfs/dbraw/zinc/09/00/07/607090007.db2.gz FCHFSTXDLIRQGL-CYBMUJFWSA-N 1 2 378.864 2.206 20 0 GEADLO CC(C)CO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000820096669 607090008 /nfs/dbraw/zinc/09/00/08/607090008.db2.gz FCHFSTXDLIRQGL-CYBMUJFWSA-N 1 2 378.864 2.206 20 0 GEADLO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)CCOC(C)(C)C ZINC000819876007 607147887 /nfs/dbraw/zinc/14/78/87/607147887.db2.gz CZEUATCAYOLHCF-NSHDSACASA-N 1 2 392.529 2.491 20 0 GEADLO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+](C)CCOC(C)(C)C ZINC000819876007 607147889 /nfs/dbraw/zinc/14/78/89/607147889.db2.gz CZEUATCAYOLHCF-NSHDSACASA-N 1 2 392.529 2.491 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3nc(C)ccc3-c3nn[nH]n3)CC2)cc1F ZINC000821794867 607226446 /nfs/dbraw/zinc/22/64/46/607226446.db2.gz ORBJZYBIFSBGHV-UHFFFAOYSA-N 1 2 383.431 2.040 20 0 GEADLO COc1ccc([C@H](CNc2nc(C)ccc2-c2nn[nH]n2)[NH+]2CCOCC2)cc1 ZINC000821777697 607226509 /nfs/dbraw/zinc/22/65/09/607226509.db2.gz LKOJTAZATUZWAE-SFHVURJKSA-N 1 2 395.467 2.064 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC(Cn2ccnn2)CC1 ZINC000826304696 607810881 /nfs/dbraw/zinc/81/08/81/607810881.db2.gz VBBXDKWGKUDUAQ-UHFFFAOYSA-N 1 2 375.440 2.231 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826182559 607991816 /nfs/dbraw/zinc/99/18/16/607991816.db2.gz NOYIEADSQCDQOD-PBHICJAKSA-N 1 2 387.390 2.461 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826182559 607991817 /nfs/dbraw/zinc/99/18/17/607991817.db2.gz NOYIEADSQCDQOD-PBHICJAKSA-N 1 2 387.390 2.461 20 0 GEADLO CC(C)c1[nH+]ccn1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000824364707 608012464 /nfs/dbraw/zinc/01/24/64/608012464.db2.gz QPTUHULIWYDITL-UHFFFAOYSA-N 1 2 377.412 2.011 20 0 GEADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826456353 608073457 /nfs/dbraw/zinc/07/34/57/608073457.db2.gz ZSHUBOMEHBVJRM-MRXNPFEDSA-N 1 2 390.407 2.120 20 0 GEADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000826321700 608088209 /nfs/dbraw/zinc/08/82/09/608088209.db2.gz MVOITXHZBSMJQB-ZDUSSCGKSA-N 1 2 384.444 2.192 20 0 GEADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000826321700 608088210 /nfs/dbraw/zinc/08/82/10/608088210.db2.gz MVOITXHZBSMJQB-ZDUSSCGKSA-N 1 2 384.444 2.192 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029538 608121170 /nfs/dbraw/zinc/12/11/70/608121170.db2.gz SROQJOFTKDCEOK-SJORKVTESA-N 1 2 384.390 2.320 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029538 608121171 /nfs/dbraw/zinc/12/11/71/608121171.db2.gz SROQJOFTKDCEOK-SJORKVTESA-N 1 2 384.390 2.320 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000826029536 608121331 /nfs/dbraw/zinc/12/13/31/608121331.db2.gz SROQJOFTKDCEOK-IAGOWNOFSA-N 1 2 384.390 2.320 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000826029536 608121332 /nfs/dbraw/zinc/12/13/32/608121332.db2.gz SROQJOFTKDCEOK-IAGOWNOFSA-N 1 2 384.390 2.320 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000824420425 608142218 /nfs/dbraw/zinc/14/22/18/608142218.db2.gz JUYFXLDQDRJCDN-OAHLLOKOSA-N 1 2 393.447 2.411 20 0 GEADLO O=C(N[C@H]1CC12CCCCC2)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826428890 608165347 /nfs/dbraw/zinc/16/53/47/608165347.db2.gz OJTNAKZNJXNSGT-SFHVURJKSA-N 1 2 395.511 2.417 20 0 GEADLO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000824763622 608170023 /nfs/dbraw/zinc/17/00/23/608170023.db2.gz OCTHKEXNBKBVOM-CQSZACIVSA-N 1 2 398.492 2.210 20 0 GEADLO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000824763622 608170024 /nfs/dbraw/zinc/17/00/24/608170024.db2.gz OCTHKEXNBKBVOM-CQSZACIVSA-N 1 2 398.492 2.210 20 0 GEADLO Cc1oc(NC(=O)C[NH+]2CCC(Cc3cccnc3)CC2)c(-c2nn[nH]n2)c1C ZINC000826341894 608209731 /nfs/dbraw/zinc/20/97/31/608209731.db2.gz SJXFOJRCCJOFDH-UHFFFAOYSA-N 1 2 395.467 2.365 20 0 GEADLO O=C(OCCn1cc[nH+]c1)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826464026 608254562 /nfs/dbraw/zinc/25/45/62/608254562.db2.gz FQWLZEBKUPYEPY-UHFFFAOYSA-N 1 2 380.364 2.092 20 0 GEADLO c1c(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524901 608258492 /nfs/dbraw/zinc/25/84/92/608258492.db2.gz OEZWMRAAWGAXMR-AWEZNQCLSA-N 1 2 389.467 2.495 20 0 GEADLO c1c(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524901 608258494 /nfs/dbraw/zinc/25/84/94/608258494.db2.gz OEZWMRAAWGAXMR-AWEZNQCLSA-N 1 2 389.467 2.495 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)c(NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000826276369 608272707 /nfs/dbraw/zinc/27/27/07/608272707.db2.gz CTNKNPIYULTCOD-IBGZPJMESA-N 1 2 392.511 2.361 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)c(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000826276369 608272708 /nfs/dbraw/zinc/27/27/08/608272708.db2.gz CTNKNPIYULTCOD-IBGZPJMESA-N 1 2 392.511 2.361 20 0 GEADLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)CC2)[nH]n1 ZINC000826265667 608384564 /nfs/dbraw/zinc/38/45/64/608384564.db2.gz IPXQXHPJVABUHJ-ZDUSSCGKSA-N 1 2 380.456 2.105 20 0 GEADLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC000826265667 608384566 /nfs/dbraw/zinc/38/45/66/608384566.db2.gz IPXQXHPJVABUHJ-ZDUSSCGKSA-N 1 2 380.456 2.105 20 0 GEADLO O=C(c1ccccc1F)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826474335 608385254 /nfs/dbraw/zinc/38/52/54/608385254.db2.gz LOFMLJULIRRORS-UHFFFAOYSA-N 1 2 398.417 2.493 20 0 GEADLO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826474335 608385255 /nfs/dbraw/zinc/38/52/55/608385255.db2.gz LOFMLJULIRRORS-UHFFFAOYSA-N 1 2 398.417 2.493 20 0 GEADLO CC(C)COC(=O)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000824266758 608389555 /nfs/dbraw/zinc/38/95/55/608389555.db2.gz PUMDIQAINFBFBI-UHFFFAOYSA-N 1 2 376.436 2.306 20 0 GEADLO CC(C)COC(=O)N1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000824266758 608389557 /nfs/dbraw/zinc/38/95/57/608389557.db2.gz PUMDIQAINFBFBI-UHFFFAOYSA-N 1 2 376.436 2.306 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826436630 608398702 /nfs/dbraw/zinc/39/87/02/608398702.db2.gz BGNZWOAETIFDTM-UHFFFAOYSA-N 1 2 392.467 2.342 20 0 GEADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC000825159618 608424487 /nfs/dbraw/zinc/42/44/87/608424487.db2.gz QUZBZFRXJVYTFI-INIZCTEOSA-N 1 2 386.410 2.208 20 0 GEADLO OCC[C@@H]([NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)c1ccccc1 ZINC000826508955 608432774 /nfs/dbraw/zinc/43/27/74/608432774.db2.gz HNDPWOIKBMHARK-MRXNPFEDSA-N 1 2 377.408 2.130 20 0 GEADLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1F ZINC000824599459 608433598 /nfs/dbraw/zinc/43/35/98/608433598.db2.gz PGESQHLSWUTJNN-LLVKDONJSA-N 1 2 393.419 2.269 20 0 GEADLO COc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1F ZINC000826195602 608505149 /nfs/dbraw/zinc/50/51/49/608505149.db2.gz ZMTAPNJTHBFBIU-UHFFFAOYSA-N 1 2 388.472 2.394 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C(C)(C)C)n1 ZINC000826361259 608581304 /nfs/dbraw/zinc/58/13/04/608581304.db2.gz QYPCMURFWVJVNR-UHFFFAOYSA-N 1 2 394.527 2.216 20 0 GEADLO Cn1cnc2cc(CN3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)ccc21 ZINC000826365070 608581645 /nfs/dbraw/zinc/58/16/45/608581645.db2.gz ACVKYFNASGFVMY-UHFFFAOYSA-N 1 2 388.479 2.071 20 0 GEADLO Cn1cnc2cc(C[NH+]3CCN(Cc4ccc(-c5nn[nH]n5)cc4)CC3)ccc21 ZINC000826365070 608581648 /nfs/dbraw/zinc/58/16/48/608581648.db2.gz ACVKYFNASGFVMY-UHFFFAOYSA-N 1 2 388.479 2.071 20 0 GEADLO Cc1oc(NC(=O)C[NH+]2CCC(c3cccnc3)CC2)c(-c2nn[nH]n2)c1C ZINC000826341221 608583185 /nfs/dbraw/zinc/58/31/85/608583185.db2.gz ALQKVMMOOVAEKJ-UHFFFAOYSA-N 1 2 381.440 2.290 20 0 GEADLO CC(C)c1noc([C@H](C)N2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)n1 ZINC000824364670 608685690 /nfs/dbraw/zinc/68/56/90/608685690.db2.gz PKJGNTQBJHMAIL-LBPRGKRZSA-N 1 2 388.501 2.313 20 0 GEADLO Fc1ccc(F)c(N2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)c1 ZINC000826375165 608702063 /nfs/dbraw/zinc/70/20/63/608702063.db2.gz BRURJYBVGFYRDX-UHFFFAOYSA-N 1 2 396.405 2.115 20 0 GEADLO OC1CCN(c2ccc(NCc3cccc4[nH+]ccn43)cc2-c2nn[nH]n2)CC1 ZINC000826507633 608760833 /nfs/dbraw/zinc/76/08/33/608760833.db2.gz SLPPKMWGJAGCSZ-UHFFFAOYSA-N 1 2 390.451 2.088 20 0 GEADLO COc1ccc(Cl)cc1C[NH+]1CCN(c2cnccc2-c2nn[nH]n2)CC1 ZINC000826208475 608772099 /nfs/dbraw/zinc/77/20/99/608772099.db2.gz MIWGUVZTFDAFGS-UHFFFAOYSA-N 1 2 385.859 2.246 20 0 GEADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)o1 ZINC000824900301 608838269 /nfs/dbraw/zinc/83/82/69/608838269.db2.gz UPNDFENNUXRWAG-IPYPFGDCSA-N 1 2 380.456 2.084 20 0 GEADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)o1 ZINC000824900301 608838273 /nfs/dbraw/zinc/83/82/73/608838273.db2.gz UPNDFENNUXRWAG-IPYPFGDCSA-N 1 2 380.456 2.084 20 0 GEADLO COCCOc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826163002 608853541 /nfs/dbraw/zinc/85/35/41/608853541.db2.gz BTSMBQDVQDOHFJ-FQEVSTJZSA-N 1 2 395.463 2.465 20 0 GEADLO COCCOc1ccccc1C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826163002 608853544 /nfs/dbraw/zinc/85/35/44/608853544.db2.gz BTSMBQDVQDOHFJ-FQEVSTJZSA-N 1 2 395.463 2.465 20 0 GEADLO CC[NH+](CC)[C@H](C(=O)OCCNc1ncccc1-c1nn[nH]n1)c1ccccc1 ZINC000825406928 609263707 /nfs/dbraw/zinc/26/37/07/609263707.db2.gz VGSXEQGUZZNMBU-KRWDZBQOSA-N 1 2 395.467 2.300 20 0 GEADLO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000825313298 609267874 /nfs/dbraw/zinc/26/78/74/609267874.db2.gz ABZPFEKRWZUNLZ-INIZCTEOSA-N 1 2 379.468 2.442 20 0 GEADLO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000825313298 609267876 /nfs/dbraw/zinc/26/78/76/609267876.db2.gz ABZPFEKRWZUNLZ-INIZCTEOSA-N 1 2 379.468 2.442 20 0 GEADLO O=C(CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(F)cc1 ZINC000826407371 609267985 /nfs/dbraw/zinc/26/79/85/609267985.db2.gz KTTYSPPWAIQAGS-UHFFFAOYSA-N 1 2 394.454 2.396 20 0 GEADLO C[C@H](NCc1cccnc1N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824626099 609330919 /nfs/dbraw/zinc/33/09/19/609330919.db2.gz LXABCSVCCKEKSZ-AWEZNQCLSA-N 1 2 396.474 2.003 20 0 GEADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826306359 609427737 /nfs/dbraw/zinc/42/77/37/609427737.db2.gz XEFQJOZQVQUECC-MRXNPFEDSA-N 1 2 377.408 2.048 20 0 GEADLO Cc1nc(N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c2c([nH+]1)CCCC2 ZINC000826328608 609440291 /nfs/dbraw/zinc/44/02/91/609440291.db2.gz XFEHWLKHVKLYHA-GOSISDBHSA-N 1 2 377.452 2.422 20 0 GEADLO C[NH+](C)[C@H](C(=O)OCCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825849352 609621322 /nfs/dbraw/zinc/62/13/22/609621322.db2.gz KJUXBUKKVUDTRH-SFHVURJKSA-N 1 2 381.436 2.482 20 0 GEADLO O=C1C[C@@H]([N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)C(=O)N1CC(F)(F)F ZINC000448557820 650016727 /nfs/dbraw/zinc/01/67/27/650016727.db2.gz WJOHODWTKDERDF-CHWSQXEVSA-N 1 2 376.762 2.483 20 0 GEADLO O=C1C[C@@H]([N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)C(=O)N1CC(F)(F)F ZINC000448557820 650016730 /nfs/dbraw/zinc/01/67/30/650016730.db2.gz WJOHODWTKDERDF-CHWSQXEVSA-N 1 2 376.762 2.483 20 0 GEADLO CC[N@H+](CCOc1ccc(Br)cc1)Cc1cn(CC(=O)OC)nn1 ZINC000449025414 650030048 /nfs/dbraw/zinc/03/00/48/650030048.db2.gz BRIDDSZQCGCZCH-UHFFFAOYSA-N 1 2 397.273 2.115 20 0 GEADLO CC[N@@H+](CCOc1ccc(Br)cc1)Cc1cn(CC(=O)OC)nn1 ZINC000449025414 650030050 /nfs/dbraw/zinc/03/00/50/650030050.db2.gz BRIDDSZQCGCZCH-UHFFFAOYSA-N 1 2 397.273 2.115 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000449028722 650030660 /nfs/dbraw/zinc/03/06/60/650030660.db2.gz MNRGBBBICVPOKA-QWHCGFSZSA-N 1 2 385.302 2.431 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+]1CCOC[C@@H](C)C1 ZINC000449028722 650030662 /nfs/dbraw/zinc/03/06/62/650030662.db2.gz MNRGBBBICVPOKA-QWHCGFSZSA-N 1 2 385.302 2.431 20 0 GEADLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449239315 650035010 /nfs/dbraw/zinc/03/50/10/650035010.db2.gz VHIUKBMYNWUIKF-GFCCVEGCSA-N 1 2 384.299 2.250 20 0 GEADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449239315 650035013 /nfs/dbraw/zinc/03/50/13/650035013.db2.gz VHIUKBMYNWUIKF-GFCCVEGCSA-N 1 2 384.299 2.250 20 0 GEADLO C[C@@H](C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449335531 650038911 /nfs/dbraw/zinc/03/89/11/650038911.db2.gz JHBSWLWRYNOORS-RDJZCZTQSA-N 1 2 387.567 2.483 20 0 GEADLO C[C@@H](C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449335531 650038913 /nfs/dbraw/zinc/03/89/13/650038913.db2.gz JHBSWLWRYNOORS-RDJZCZTQSA-N 1 2 387.567 2.483 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c(Br)c1 ZINC000449745470 650048460 /nfs/dbraw/zinc/04/84/60/650048460.db2.gz NFBVTCRZNZCHCY-CQSZACIVSA-N 1 2 398.301 2.471 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c(Br)c1 ZINC000449745470 650048462 /nfs/dbraw/zinc/04/84/62/650048462.db2.gz NFBVTCRZNZCHCY-CQSZACIVSA-N 1 2 398.301 2.471 20 0 GEADLO O=C(CCc1cccc(F)c1Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000449957733 650056827 /nfs/dbraw/zinc/05/68/27/650056827.db2.gz DJHUFBLPGWEIQR-CQSZACIVSA-N 1 2 385.277 2.454 20 0 GEADLO C[NH+](C)[C@]1(CNC(=O)c2cc(Br)c(F)cc2O)CCSC1 ZINC000450040085 650058874 /nfs/dbraw/zinc/05/88/74/650058874.db2.gz GWYJQYKTOSEBGU-AWEZNQCLSA-N 1 2 377.279 2.461 20 0 GEADLO CC(=O)N1CC[NH+](CCNc2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450257307 650063154 /nfs/dbraw/zinc/06/31/54/650063154.db2.gz KUJBWTDYGPWWBA-UHFFFAOYSA-N 1 2 395.223 2.439 20 0 GEADLO CCN(C1CC[NH+](Cc2cccc(C(=O)OC)c2Cl)CC1)S(C)(=O)=O ZINC000450554604 650067377 /nfs/dbraw/zinc/06/73/77/650067377.db2.gz LRAGCQFLHVEJKV-UHFFFAOYSA-N 1 2 388.917 2.373 20 0 GEADLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000451048237 650081871 /nfs/dbraw/zinc/08/18/71/650081871.db2.gz WANTVYASBMKHCF-UHFFFAOYSA-N 1 2 391.266 2.147 20 0 GEADLO O=S(=O)(Cc1c(F)cccc1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000451200697 650096032 /nfs/dbraw/zinc/09/60/32/650096032.db2.gz SXVIMSWYHAUKTF-AWEZNQCLSA-N 1 2 390.908 2.353 20 0 GEADLO CCOC[C@H](C)CS(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000451458076 650116581 /nfs/dbraw/zinc/11/65/81/650116581.db2.gz DVYDADGJKJGCID-FUHWJXTLSA-N 1 2 386.583 2.196 20 0 GEADLO CCOC[C@H](C)CS(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000451458076 650116585 /nfs/dbraw/zinc/11/65/85/650116585.db2.gz DVYDADGJKJGCID-FUHWJXTLSA-N 1 2 386.583 2.196 20 0 GEADLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000451883649 650149870 /nfs/dbraw/zinc/14/98/70/650149870.db2.gz VHPMGIITJLVFTK-VXGBXAGGSA-N 1 2 375.357 2.356 20 0 GEADLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000451883649 650149872 /nfs/dbraw/zinc/14/98/72/650149872.db2.gz VHPMGIITJLVFTK-VXGBXAGGSA-N 1 2 375.357 2.356 20 0 GEADLO O[C@H](COc1ccc(I)c(Cl)c1)C[NH+]1CCOCC1 ZINC000453025190 650204101 /nfs/dbraw/zinc/20/41/01/650204101.db2.gz DCXKFDJXLAMXGI-JTQLQIEISA-N 1 2 397.640 2.017 20 0 GEADLO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1nn(C)cc1I)CO2 ZINC000453352988 650208471 /nfs/dbraw/zinc/20/84/71/650208471.db2.gz HDFSKZNDGUCQSF-LLVKDONJSA-N 1 2 399.232 2.127 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000454659777 650274920 /nfs/dbraw/zinc/27/49/20/650274920.db2.gz RVJBDJQUDNVVGV-GFCCVEGCSA-N 1 2 376.284 2.392 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000454659777 650274924 /nfs/dbraw/zinc/27/49/24/650274924.db2.gz RVJBDJQUDNVVGV-GFCCVEGCSA-N 1 2 376.284 2.392 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)CCc2c[nH+]cn2C)c1 ZINC000456104195 650330811 /nfs/dbraw/zinc/33/08/11/650330811.db2.gz KNXHPYJLXYZGHC-MRXNPFEDSA-N 1 2 396.285 2.316 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)C[C@@H]21 ZINC000456072452 650329533 /nfs/dbraw/zinc/32/95/33/650329533.db2.gz SSTQMXZGPASRFE-YVSFHVDLSA-N 1 2 379.298 2.484 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)C[C@@H]21 ZINC000456072452 650329536 /nfs/dbraw/zinc/32/95/36/650329536.db2.gz SSTQMXZGPASRFE-YVSFHVDLSA-N 1 2 379.298 2.484 20 0 GEADLO Cc1cc(C)c(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c[nH+]1 ZINC000456857250 650364235 /nfs/dbraw/zinc/36/42/35/650364235.db2.gz KAPOSHCGSUBAAD-ZDUSSCGKSA-N 1 2 381.885 2.335 20 0 GEADLO Cc1cc(C)c(CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c[nH+]1 ZINC000456859752 650364341 /nfs/dbraw/zinc/36/43/41/650364341.db2.gz NCCZMCYWYLNIRR-UHFFFAOYSA-N 1 2 381.885 2.337 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457725303 650383153 /nfs/dbraw/zinc/38/31/53/650383153.db2.gz ALKZFUNWXPCONB-CZUORRHYSA-N 1 2 397.317 2.411 20 0 GEADLO CC(C)[NH+]1CC(NC(=O)c2cc(I)c(F)cc2F)C1 ZINC000457732352 650383270 /nfs/dbraw/zinc/38/32/70/650383270.db2.gz ZHINPMQAYYZPEV-UHFFFAOYSA-N 1 2 380.176 2.392 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCCc1cccc(Br)c1)[NH+]1CCOCC1 ZINC000458356040 650400612 /nfs/dbraw/zinc/40/06/12/650400612.db2.gz YQRQUIVQSKRWOB-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000503801893 650422532 /nfs/dbraw/zinc/42/25/32/650422532.db2.gz WPMMJRZDNIRLOX-NXEZZACHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000503801893 650422534 /nfs/dbraw/zinc/42/25/34/650422534.db2.gz WPMMJRZDNIRLOX-NXEZZACHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000503801895 650422625 /nfs/dbraw/zinc/42/26/25/650422625.db2.gz WPMMJRZDNIRLOX-VHSXEESVSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000503801895 650422628 /nfs/dbraw/zinc/42/26/28/650422628.db2.gz WPMMJRZDNIRLOX-VHSXEESVSA-N 1 2 395.294 2.310 20 0 GEADLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000503699466 650421603 /nfs/dbraw/zinc/42/16/03/650421603.db2.gz DSXVEKCSXHZMDQ-GFCCVEGCSA-N 1 2 381.325 2.379 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459703786 650430081 /nfs/dbraw/zinc/43/00/81/650430081.db2.gz HGJOXWCIKOIUBC-KRWDZBQOSA-N 1 2 388.302 2.184 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459703786 650430083 /nfs/dbraw/zinc/43/00/83/650430083.db2.gz HGJOXWCIKOIUBC-KRWDZBQOSA-N 1 2 388.302 2.184 20 0 GEADLO CCOc1cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)cc(Br)c1OC(F)F ZINC000459705819 650430578 /nfs/dbraw/zinc/43/05/78/650430578.db2.gz NGCHAMQHHNLVIC-ZYHUDNBSSA-N 1 2 396.228 2.234 20 0 GEADLO CCOc1cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)cc(Br)c1OC(F)F ZINC000459705819 650430581 /nfs/dbraw/zinc/43/05/81/650430581.db2.gz NGCHAMQHHNLVIC-ZYHUDNBSSA-N 1 2 396.228 2.234 20 0 GEADLO COCCC[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000506034893 650442908 /nfs/dbraw/zinc/44/29/08/650442908.db2.gz LHMHDLQKXFDNBZ-CQSZACIVSA-N 1 2 389.901 2.137 20 0 GEADLO COCCC[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000506034893 650442910 /nfs/dbraw/zinc/44/29/10/650442910.db2.gz LHMHDLQKXFDNBZ-CQSZACIVSA-N 1 2 389.901 2.137 20 0 GEADLO O=S(=O)(CCc1ccccc1Br)NCCNc1cccc[nH+]1 ZINC000462098758 650467801 /nfs/dbraw/zinc/46/78/01/650467801.db2.gz PSVZEAVPSFAARH-UHFFFAOYSA-N 1 2 384.299 2.418 20 0 GEADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2Br)n1C ZINC000507854791 650468197 /nfs/dbraw/zinc/46/81/97/650468197.db2.gz ARGZQWCQZTVLTI-UHFFFAOYSA-N 1 2 380.290 2.013 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000507967973 650470982 /nfs/dbraw/zinc/47/09/82/650470982.db2.gz ISFBZKBXYQTRRY-DTWKUNHWSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000507967973 650470983 /nfs/dbraw/zinc/47/09/83/650470983.db2.gz ISFBZKBXYQTRRY-DTWKUNHWSA-N 1 2 383.258 2.440 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000507987353 650472106 /nfs/dbraw/zinc/47/21/06/650472106.db2.gz XVXKVSCOGMXWQM-NWDGAFQWSA-N 1 2 382.507 2.401 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000507987353 650472109 /nfs/dbraw/zinc/47/21/09/650472109.db2.gz XVXKVSCOGMXWQM-NWDGAFQWSA-N 1 2 382.507 2.401 20 0 GEADLO CCc1nocc1C[NH+]1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000508211197 650477485 /nfs/dbraw/zinc/47/74/85/650477485.db2.gz YYMWPVXQVMLJCQ-UHFFFAOYSA-N 1 2 382.262 2.120 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000508873348 650484106 /nfs/dbraw/zinc/48/41/06/650484106.db2.gz KSNODNHGNVCLSX-JTQLQIEISA-N 1 2 393.292 2.295 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000508873348 650484108 /nfs/dbraw/zinc/48/41/08/650484108.db2.gz KSNODNHGNVCLSX-JTQLQIEISA-N 1 2 393.292 2.295 20 0 GEADLO O=S(=O)(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1ccoc1 ZINC000508824405 650483215 /nfs/dbraw/zinc/48/32/15/650483215.db2.gz YJIRASYBEICXCW-UHFFFAOYSA-N 1 2 383.901 2.424 20 0 GEADLO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000462871234 650491824 /nfs/dbraw/zinc/49/18/24/650491824.db2.gz CJELSUWYCNNTQU-LLVKDONJSA-N 1 2 395.257 2.106 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000509480290 650494398 /nfs/dbraw/zinc/49/43/98/650494398.db2.gz OPJPXKTUXWYKFK-UHFFFAOYSA-N 1 2 376.214 2.471 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000509480290 650494400 /nfs/dbraw/zinc/49/44/00/650494400.db2.gz OPJPXKTUXWYKFK-UHFFFAOYSA-N 1 2 376.214 2.471 20 0 GEADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000466933136 650499737 /nfs/dbraw/zinc/49/97/37/650499737.db2.gz NWEVPZLLDGCYMV-OAGGEKHMSA-N 1 2 384.567 2.384 20 0 GEADLO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000466933136 650499739 /nfs/dbraw/zinc/49/97/39/650499739.db2.gz NWEVPZLLDGCYMV-OAGGEKHMSA-N 1 2 384.567 2.384 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000468914208 650508053 /nfs/dbraw/zinc/50/80/53/650508053.db2.gz LJBCFHAYLLMBRV-DOMZBBRYSA-N 1 2 383.286 2.104 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000468914648 650508100 /nfs/dbraw/zinc/50/81/00/650508100.db2.gz LJBCFHAYLLMBRV-WFASDCNBSA-N 1 2 383.286 2.104 20 0 GEADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510901780 650521026 /nfs/dbraw/zinc/52/10/26/650521026.db2.gz ISYMGGIIDDWXBQ-WDEREUQCSA-N 1 2 378.420 2.251 20 0 GEADLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510901780 650521027 /nfs/dbraw/zinc/52/10/27/650521027.db2.gz ISYMGGIIDDWXBQ-WDEREUQCSA-N 1 2 378.420 2.251 20 0 GEADLO Brc1ccc(CN(CCn2cc[nH+]c2)Cc2nnnn2C2CC2)o1 ZINC000510923139 650521092 /nfs/dbraw/zinc/52/10/92/650521092.db2.gz YURQHDRFKWKSOH-UHFFFAOYSA-N 1 2 392.261 2.262 20 0 GEADLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511078431 650525135 /nfs/dbraw/zinc/52/51/35/650525135.db2.gz AKTCGZTUBIXPTR-QWHCGFSZSA-N 1 2 384.527 2.463 20 0 GEADLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511078431 650525140 /nfs/dbraw/zinc/52/51/40/650525140.db2.gz AKTCGZTUBIXPTR-QWHCGFSZSA-N 1 2 384.527 2.463 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511064123 650524749 /nfs/dbraw/zinc/52/47/49/650524749.db2.gz JMZRNEHDDJYUPL-ZIAGYGMSSA-N 1 2 387.933 2.270 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511064123 650524753 /nfs/dbraw/zinc/52/47/53/650524753.db2.gz JMZRNEHDDJYUPL-ZIAGYGMSSA-N 1 2 387.933 2.270 20 0 GEADLO COc1cc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)ccc1Br ZINC000474130090 650528759 /nfs/dbraw/zinc/52/87/59/650528759.db2.gz BYEVOLIXDLREJG-UHFFFAOYSA-N 1 2 389.315 2.317 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000512428081 650548573 /nfs/dbraw/zinc/54/85/73/650548573.db2.gz PAIJLRPWJROWLG-XKQJLSEDSA-N 1 2 397.313 2.458 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000476525121 650552440 /nfs/dbraw/zinc/55/24/40/650552440.db2.gz KZCAKEQZHNRWAV-KGLIPLIRSA-N 1 2 390.933 2.468 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000476525121 650552444 /nfs/dbraw/zinc/55/24/44/650552444.db2.gz KZCAKEQZHNRWAV-KGLIPLIRSA-N 1 2 390.933 2.468 20 0 GEADLO O=C(Cn1cc(Br)cn1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513989881 650572607 /nfs/dbraw/zinc/57/26/07/650572607.db2.gz POOLWLHVNOISCY-AWEZNQCLSA-N 1 2 383.677 2.472 20 0 GEADLO O=C(Cc1ccc(Br)cc1O)N1CCN(c2cccc[nH+]2)CC1 ZINC000477309862 650573954 /nfs/dbraw/zinc/57/39/54/650573954.db2.gz RIHVNSSYECTKMQ-UHFFFAOYSA-N 1 2 376.254 2.441 20 0 GEADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(=O)NC ZINC000514753774 650578438 /nfs/dbraw/zinc/57/84/38/650578438.db2.gz IJFSDDLBTHXJCQ-JTQLQIEISA-N 1 2 389.283 2.488 20 0 GEADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(=O)NC ZINC000514753774 650578439 /nfs/dbraw/zinc/57/84/39/650578439.db2.gz IJFSDDLBTHXJCQ-JTQLQIEISA-N 1 2 389.283 2.488 20 0 GEADLO O=S(=O)(NC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1)c1cccs1 ZINC000515611896 650593040 /nfs/dbraw/zinc/59/30/40/650593040.db2.gz JUEHMSFRSPWBFI-UHFFFAOYSA-N 1 2 379.511 2.060 20 0 GEADLO O=S(=O)(NC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1)c1cccs1 ZINC000515611896 650593041 /nfs/dbraw/zinc/59/30/41/650593041.db2.gz JUEHMSFRSPWBFI-UHFFFAOYSA-N 1 2 379.511 2.060 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)NCc2cc(Br)cc3c2OCC3)c1 ZINC000516730480 650601092 /nfs/dbraw/zinc/60/10/92/650601092.db2.gz CVPXUFIWXACYKJ-UHFFFAOYSA-N 1 2 379.258 2.159 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000479435089 650603850 /nfs/dbraw/zinc/60/38/50/650603850.db2.gz FBNKMEUDIOXBOI-ZDUSSCGKSA-N 1 2 379.931 2.191 20 0 GEADLO C[C@]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)(C(N)=O)c1cccc(Cl)c1 ZINC000518685425 650606464 /nfs/dbraw/zinc/60/64/64/650606464.db2.gz KWKCUAXFZSOXDW-IUODEOHRSA-N 1 2 377.794 2.183 20 0 GEADLO C[C@@]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)(C(N)=O)c1cccc(Cl)c1 ZINC000518685427 650606551 /nfs/dbraw/zinc/60/65/51/650606551.db2.gz KWKCUAXFZSOXDW-WFASDCNBSA-N 1 2 377.794 2.183 20 0 GEADLO CO[C@@H]1COC[C@H]1n1cc(C[NH2+]Cc2sc(C)cc2Br)nn1 ZINC000519807876 650613131 /nfs/dbraw/zinc/61/31/31/650613131.db2.gz IAYJOMNYRVQJPQ-CHWSQXEVSA-N 1 2 387.303 2.287 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000520613797 650615528 /nfs/dbraw/zinc/61/55/28/650615528.db2.gz GEXRYOXJWHALEI-MLGOLLRUSA-N 1 2 382.302 2.456 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000520613797 650615530 /nfs/dbraw/zinc/61/55/30/650615530.db2.gz GEXRYOXJWHALEI-MLGOLLRUSA-N 1 2 382.302 2.456 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1csc(Br)c1 ZINC000480624016 650626106 /nfs/dbraw/zinc/62/61/06/650626106.db2.gz PQAITBUPQPQGEV-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1csc(Br)c1 ZINC000480624016 650626107 /nfs/dbraw/zinc/62/61/07/650626107.db2.gz PQAITBUPQPQGEV-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO O=C(C[NH+]1CCN(Cc2cc(F)cc(Br)c2)CC1)N1CCCC1 ZINC000482822793 650669074 /nfs/dbraw/zinc/66/90/74/650669074.db2.gz RAKSVCUUACIAKD-UHFFFAOYSA-N 1 2 384.293 2.328 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCc3ccc(F)c(Br)c3C2)C1 ZINC000527625719 650681249 /nfs/dbraw/zinc/68/12/49/650681249.db2.gz VWTJQXHVKDSHCR-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCc3ccc(F)c(Br)c3C2)C1 ZINC000527625719 650681251 /nfs/dbraw/zinc/68/12/51/650681251.db2.gz VWTJQXHVKDSHCR-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO C[C@]1(Br)C[C@H]1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000528218291 650686849 /nfs/dbraw/zinc/68/68/49/650686849.db2.gz QABGYOVJZUODTQ-WMZOPIPTSA-N 1 2 397.313 2.187 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000528356005 650690290 /nfs/dbraw/zinc/69/02/90/650690290.db2.gz ACVZCHVXEFGPBI-GHMZBOCLSA-N 1 2 382.404 2.307 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000528356005 650690292 /nfs/dbraw/zinc/69/02/92/650690292.db2.gz ACVZCHVXEFGPBI-GHMZBOCLSA-N 1 2 382.404 2.307 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000528536856 650695076 /nfs/dbraw/zinc/69/50/76/650695076.db2.gz KSHXHTVGZZDVAU-UHFFFAOYSA-N 1 2 394.871 2.494 20 0 GEADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[C@]3(C)Br)c2)CC1 ZINC000529122178 650701530 /nfs/dbraw/zinc/70/15/30/650701530.db2.gz WJEFVWULTLFILY-WMZOPIPTSA-N 1 2 394.313 2.463 20 0 GEADLO C[C@@]1(c2ccc(Br)cc2)C[C@]12NC(=O)N(CCn1cc[nH+]c1)C2=O ZINC000530190964 650717413 /nfs/dbraw/zinc/71/74/13/650717413.db2.gz WYEAKDAAOCRDME-DLBZAZTESA-N 1 2 389.253 2.298 20 0 GEADLO Cc1c(S(=O)(=O)NCC[N@H+]2CC=CCC2)cnn1-c1ccc(Cl)cc1 ZINC000530535647 650725765 /nfs/dbraw/zinc/72/57/65/650725765.db2.gz FLOODXGGEFYSBZ-UHFFFAOYSA-N 1 2 380.901 2.374 20 0 GEADLO Cc1c(S(=O)(=O)NCC[N@@H+]2CC=CCC2)cnn1-c1ccc(Cl)cc1 ZINC000530535647 650725766 /nfs/dbraw/zinc/72/57/66/650725766.db2.gz FLOODXGGEFYSBZ-UHFFFAOYSA-N 1 2 380.901 2.374 20 0 GEADLO CC[NH+](CC)[C@H](CNS(=O)(=O)C[C@H](C)C(=O)OC)c1ccccc1Cl ZINC000487468410 650734307 /nfs/dbraw/zinc/73/43/07/650734307.db2.gz XBJPIXIWWBOTAJ-XJKSGUPXSA-N 1 2 390.933 2.451 20 0 GEADLO CC(C)[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000487940764 650739946 /nfs/dbraw/zinc/73/99/46/650739946.db2.gz CELDVXOLUYLOCI-INIZCTEOSA-N 1 2 389.359 2.495 20 0 GEADLO CC(C)[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CC[N@H+]1C ZINC000487940764 650739947 /nfs/dbraw/zinc/73/99/47/650739947.db2.gz CELDVXOLUYLOCI-INIZCTEOSA-N 1 2 389.359 2.495 20 0 GEADLO CC(C)[C@@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000488081493 650740939 /nfs/dbraw/zinc/74/09/39/650740939.db2.gz XHMBDLMFGAZIIV-INIZCTEOSA-N 1 2 389.359 2.495 20 0 GEADLO CC(C)[C@@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000488081493 650740943 /nfs/dbraw/zinc/74/09/43/650740943.db2.gz XHMBDLMFGAZIIV-INIZCTEOSA-N 1 2 389.359 2.495 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000488419881 650745818 /nfs/dbraw/zinc/74/58/18/650745818.db2.gz KTZWNZHDTVEXAU-IINYFYTJSA-N 1 2 385.237 2.206 20 0 GEADLO O=C(c1cc(I)c(F)cc1F)N1CC(n2cc[nH+]c2)C1 ZINC000532509489 650749071 /nfs/dbraw/zinc/74/90/71/650749071.db2.gz OKRFEDLCMKMKBD-UHFFFAOYSA-N 1 2 389.143 2.463 20 0 GEADLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)c1ccsc1 ZINC000030435119 642474013 /nfs/dbraw/zinc/47/40/13/642474013.db2.gz UIDSNBMVLKZJOR-GFCCVEGCSA-N 1 2 376.935 2.496 20 0 GEADLO Cn1c(Cl)c(Cl)cc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031935977 642492040 /nfs/dbraw/zinc/49/20/40/642492040.db2.gz RDGLQWKIMMRZAL-OAHLLOKOSA-N 1 2 378.325 2.270 20 0 GEADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCOCC1 ZINC000041280801 642527924 /nfs/dbraw/zinc/52/79/24/642527924.db2.gz QOMDEAXGCSYIKH-OAHLLOKOSA-N 1 2 388.295 2.405 20 0 GEADLO CCCCCNC(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000042641477 642554443 /nfs/dbraw/zinc/55/44/43/642554443.db2.gz HWKIWKAHABWACF-CQSZACIVSA-N 1 2 387.571 2.186 20 0 GEADLO O=S(=O)(N1CCCC1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000042676542 642555088 /nfs/dbraw/zinc/55/50/88/642555088.db2.gz STUARRLYBBGXJK-UHFFFAOYSA-N 1 2 377.432 2.164 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1nc(C(F)(F)F)cs1 ZINC000043632808 642562744 /nfs/dbraw/zinc/56/27/44/642562744.db2.gz GOMAOGJRWZWCJD-CYBMUJFWSA-N 1 2 396.460 2.491 20 0 GEADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)CSc2ccccc2Cl)CC1 ZINC000046052906 642602812 /nfs/dbraw/zinc/60/28/12/642602812.db2.gz ZNFHVVTZRIQTHB-UHFFFAOYSA-N 1 2 383.945 2.491 20 0 GEADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)CSc2ccccc2Cl)CC1 ZINC000046052906 642602816 /nfs/dbraw/zinc/60/28/16/642602816.db2.gz ZNFHVVTZRIQTHB-UHFFFAOYSA-N 1 2 383.945 2.491 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1ccc(Br)cc1F ZINC000049017240 642665759 /nfs/dbraw/zinc/66/57/59/642665759.db2.gz NXBDBYRQXNXHOH-UHFFFAOYSA-N 1 2 381.205 2.150 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000052691510 642724546 /nfs/dbraw/zinc/72/45/46/642724546.db2.gz YDXOZKBHBZZKKB-LLVKDONJSA-N 1 2 394.324 2.193 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000052691510 642724557 /nfs/dbraw/zinc/72/45/57/642724557.db2.gz YDXOZKBHBZZKKB-LLVKDONJSA-N 1 2 394.324 2.193 20 0 GEADLO C[N@H+](CCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000054265782 642749184 /nfs/dbraw/zinc/74/91/84/642749184.db2.gz DIKUPBHOMWWKOQ-UHFFFAOYSA-N 1 2 380.897 2.362 20 0 GEADLO C[N@@H+](CCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000054265782 642749188 /nfs/dbraw/zinc/74/91/88/642749188.db2.gz DIKUPBHOMWWKOQ-UHFFFAOYSA-N 1 2 380.897 2.362 20 0 GEADLO CSCCCNC(=S)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000055353377 642773227 /nfs/dbraw/zinc/77/32/27/642773227.db2.gz GDNFKSSMSFPDKZ-UHFFFAOYSA-N 1 2 380.583 2.307 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000057197608 642807749 /nfs/dbraw/zinc/80/77/49/642807749.db2.gz GIQQYJATFKVFQF-LBPRGKRZSA-N 1 2 394.273 2.362 20 0 GEADLO O=C(CCNC(=O)NCCCn1cc[nH+]c1)Nc1ccc(Br)cc1 ZINC000057198404 642808183 /nfs/dbraw/zinc/80/81/83/642808183.db2.gz QALQOSSFQHSGGA-UHFFFAOYSA-N 1 2 394.273 2.364 20 0 GEADLO O=C(CCOc1ccccc1Cl)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000057210579 642808814 /nfs/dbraw/zinc/80/88/14/642808814.db2.gz KPHDHQVLRTZFTH-SFHVURJKSA-N 1 2 384.929 2.433 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000535984467 650793153 /nfs/dbraw/zinc/79/31/53/650793153.db2.gz DFZVKRVNQPEFKG-LLVKDONJSA-N 1 2 381.263 2.473 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000535984473 650793163 /nfs/dbraw/zinc/79/31/63/650793163.db2.gz DFZVKRVNQPEFKG-NSHDSACASA-N 1 2 381.263 2.473 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCc2cccc(Br)c2C1 ZINC000493945374 650799445 /nfs/dbraw/zinc/79/94/45/650799445.db2.gz QMEJUFMRUTUWKR-HNNXBMFYSA-N 1 2 394.313 2.380 20 0 GEADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCc2cccc(Br)c2C1 ZINC000493945374 650799447 /nfs/dbraw/zinc/79/94/47/650799447.db2.gz QMEJUFMRUTUWKR-HNNXBMFYSA-N 1 2 394.313 2.380 20 0 GEADLO NC(=O)[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000066939834 642954676 /nfs/dbraw/zinc/95/46/76/642954676.db2.gz YILIAFJELJZFOT-OAHLLOKOSA-N 1 2 380.217 2.343 20 0 GEADLO COCC[N@H+](CC(=O)NC[C@@H]1CCCO1)Cc1cc(Br)cs1 ZINC000494100792 650801617 /nfs/dbraw/zinc/80/16/17/650801617.db2.gz ZIBFKYUECLHWNR-ZDUSSCGKSA-N 1 2 391.331 2.254 20 0 GEADLO COCC[N@@H+](CC(=O)NC[C@@H]1CCCO1)Cc1cc(Br)cs1 ZINC000494100792 650801621 /nfs/dbraw/zinc/80/16/21/650801621.db2.gz ZIBFKYUECLHWNR-ZDUSSCGKSA-N 1 2 391.331 2.254 20 0 GEADLO NS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000068457765 642999357 /nfs/dbraw/zinc/99/93/57/642999357.db2.gz XTADDELRPPCYJO-CQSZACIVSA-N 1 2 394.324 2.465 20 0 GEADLO NS(=O)(=O)CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000068457765 642999362 /nfs/dbraw/zinc/99/93/62/642999362.db2.gz XTADDELRPPCYJO-CQSZACIVSA-N 1 2 394.324 2.465 20 0 GEADLO C[C@H]1CCc2c(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)csc2C1 ZINC000068507219 643004389 /nfs/dbraw/zinc/00/43/89/643004389.db2.gz JTQHKDKDXCAEJZ-ZDUSSCGKSA-N 1 2 384.567 2.112 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000069253681 643026621 /nfs/dbraw/zinc/02/66/21/643026621.db2.gz FAPHJNMURAMKKP-UHFFFAOYSA-N 1 2 377.869 2.110 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2F)CC1 ZINC000069254654 643026635 /nfs/dbraw/zinc/02/66/35/643026635.db2.gz LZAOCZVGTNNCDP-UHFFFAOYSA-N 1 2 377.869 2.110 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000069769403 643039961 /nfs/dbraw/zinc/03/99/61/643039961.db2.gz FNNQACWMWXPATA-MLGOLLRUSA-N 1 2 382.302 2.456 20 0 GEADLO FC(F)(F)c1cnc(N2CCN(CC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000071014720 643057321 /nfs/dbraw/zinc/05/73/21/643057321.db2.gz XQMXTEBENHJSHR-UHFFFAOYSA-N 1 2 378.826 2.208 20 0 GEADLO Cn1cc(C(=O)NC2CC[NH+](Cc3cc(O)ccc3Br)CC2)cn1 ZINC000092074520 643068937 /nfs/dbraw/zinc/06/89/37/643068937.db2.gz KRQGOBNHFGHONV-UHFFFAOYSA-N 1 2 393.285 2.283 20 0 GEADLO CCNC(=O)N1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000096968002 643092348 /nfs/dbraw/zinc/09/23/48/643092348.db2.gz POKRZZQHOGGKEH-LBPRGKRZSA-N 1 2 376.284 2.080 20 0 GEADLO COCC[NH+](CCOC)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000096994384 643092555 /nfs/dbraw/zinc/09/25/55/643092555.db2.gz WNHNHFSSUMZOPO-UHFFFAOYSA-N 1 2 381.217 2.261 20 0 GEADLO O=C(CC[C@@H]1CCC[NH2+]1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000494633954 650813423 /nfs/dbraw/zinc/81/34/23/650813423.db2.gz BIPCJQUGZOUOIY-LBPRGKRZSA-N 1 2 380.495 2.415 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)Cc1ccc(Cl)nc1)[NH+]1CCOCC1 ZINC000101570791 643108847 /nfs/dbraw/zinc/10/88/47/643108847.db2.gz DXQZGCSLXIAGBZ-MRXNPFEDSA-N 1 2 389.949 2.291 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2cc(F)ccc2Br)CCO1 ZINC000494729591 650815142 /nfs/dbraw/zinc/81/51/42/650815142.db2.gz OBVGSTDXKRIRQV-AWEZNQCLSA-N 1 2 388.281 2.498 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2cc(F)ccc2Br)CCO1 ZINC000494729591 650815143 /nfs/dbraw/zinc/81/51/43/650815143.db2.gz OBVGSTDXKRIRQV-AWEZNQCLSA-N 1 2 388.281 2.498 20 0 GEADLO Cc1ccsc1CNC(=O)C[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000102925705 643145867 /nfs/dbraw/zinc/14/58/67/643145867.db2.gz FSVVEIDPOWFTJN-ZDUSSCGKSA-N 1 2 381.523 2.013 20 0 GEADLO Cc1ccsc1CNC(=O)C[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000102925705 643145872 /nfs/dbraw/zinc/14/58/72/643145872.db2.gz FSVVEIDPOWFTJN-ZDUSSCGKSA-N 1 2 381.523 2.013 20 0 GEADLO O=[S@@](CC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000104664399 643187180 /nfs/dbraw/zinc/18/71/80/643187180.db2.gz SYTNBEAAZRGLLS-XMMPIXPASA-N 1 2 398.575 2.299 20 0 GEADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000104671910 643187351 /nfs/dbraw/zinc/18/73/51/643187351.db2.gz WFCRVTJVTFCVAN-HNNXBMFYSA-N 1 2 382.302 2.008 20 0 GEADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000104671910 643187354 /nfs/dbraw/zinc/18/73/54/643187354.db2.gz WFCRVTJVTFCVAN-HNNXBMFYSA-N 1 2 382.302 2.008 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000104792634 643193982 /nfs/dbraw/zinc/19/39/82/643193982.db2.gz LJDFIZARMNPQPV-LBPRGKRZSA-N 1 2 376.682 2.232 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000104792634 643193984 /nfs/dbraw/zinc/19/39/84/643193984.db2.gz LJDFIZARMNPQPV-LBPRGKRZSA-N 1 2 376.682 2.232 20 0 GEADLO C[C@@H](NC(=O)NCCNc1ncc(Cl)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000105139022 643199744 /nfs/dbraw/zinc/19/97/44/643199744.db2.gz WMLPLULCGKFVNG-NEPJUHHUSA-N 1 2 390.315 2.209 20 0 GEADLO C[C@@H](NC(=O)NCc1cc(F)ccc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000105167191 643200404 /nfs/dbraw/zinc/20/04/04/643200404.db2.gz OMVNOQIEOFYMJN-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H](NC(=O)NCc1cc(Br)ccc1F)[C@H](C)[NH+]1CCOCC1 ZINC000105141337 643200731 /nfs/dbraw/zinc/20/07/31/643200731.db2.gz JADHICHVTQWQSH-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1ccccc1Br ZINC000106580724 643234327 /nfs/dbraw/zinc/23/43/27/643234327.db2.gz XALWMXGGRBNNMH-CQSZACIVSA-N 1 2 383.334 2.226 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1csc(Br)c1 ZINC000106582807 643235090 /nfs/dbraw/zinc/23/50/90/643235090.db2.gz LCKBPTKLQIRPCO-GFCCVEGCSA-N 1 2 389.363 2.288 20 0 GEADLO COc1cc[nH+]c(CN2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)c1 ZINC000106860139 643241603 /nfs/dbraw/zinc/24/16/03/643241603.db2.gz AYYPCYKWGDQQII-UHFFFAOYSA-N 1 2 381.523 2.275 20 0 GEADLO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000106864819 643242133 /nfs/dbraw/zinc/24/21/33/643242133.db2.gz QCNTVMDWFWQXIY-WFASDCNBSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@H](O)[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000106864819 643242143 /nfs/dbraw/zinc/24/21/43/643242143.db2.gz QCNTVMDWFWQXIY-WFASDCNBSA-N 1 2 376.316 2.458 20 0 GEADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)s1 ZINC000106876217 643243076 /nfs/dbraw/zinc/24/30/76/643243076.db2.gz NQIZHXRLKDPHGQ-NSHDSACASA-N 1 2 382.511 2.039 20 0 GEADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)s1 ZINC000106876217 643243079 /nfs/dbraw/zinc/24/30/79/643243079.db2.gz NQIZHXRLKDPHGQ-NSHDSACASA-N 1 2 382.511 2.039 20 0 GEADLO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC000107091463 643249461 /nfs/dbraw/zinc/24/94/61/643249461.db2.gz QBZBXCNMXIWRJZ-AWEZNQCLSA-N 1 2 381.523 2.364 20 0 GEADLO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CCNS(C)(=O)=O ZINC000107300413 643253300 /nfs/dbraw/zinc/25/33/00/643253300.db2.gz RDLHWDXQOYEUQI-ZDUSSCGKSA-N 1 2 377.304 2.144 20 0 GEADLO COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CCNS(C)(=O)=O ZINC000107300413 643253306 /nfs/dbraw/zinc/25/33/06/643253306.db2.gz RDLHWDXQOYEUQI-ZDUSSCGKSA-N 1 2 377.304 2.144 20 0 GEADLO CC(C)(C)[C@H]([NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C(N)=O ZINC000109330353 643293403 /nfs/dbraw/zinc/29/34/03/643293403.db2.gz YMBBIKGKBVPFPK-CQSZACIVSA-N 1 2 381.523 2.203 20 0 GEADLO O=C(CN1CSCC1=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000110982211 643323766 /nfs/dbraw/zinc/32/37/66/643323766.db2.gz DPQLAGINCFSWDP-AWEZNQCLSA-N 1 2 385.892 2.093 20 0 GEADLO O=C(CN1CSCC1=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000110982211 643323772 /nfs/dbraw/zinc/32/37/72/643323772.db2.gz DPQLAGINCFSWDP-AWEZNQCLSA-N 1 2 385.892 2.093 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C2CC2)C1 ZINC000111234474 643329991 /nfs/dbraw/zinc/32/99/91/643329991.db2.gz PVWNNDXJJRWCAY-CHWSQXEVSA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C2CC2)C1 ZINC000111234474 643329998 /nfs/dbraw/zinc/32/99/98/643329998.db2.gz PVWNNDXJJRWCAY-CHWSQXEVSA-N 1 2 394.320 2.385 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)N3CCCCC3)CC2)cs1 ZINC000111357837 643337699 /nfs/dbraw/zinc/33/76/99/643337699.db2.gz AANRQDMJORLSRG-UHFFFAOYSA-N 1 2 386.587 2.238 20 0 GEADLO O=C(C[N@H+](CCO)CCOCC(F)(F)F)Nc1cccc2c1N=S=N2 ZINC000112982875 643379309 /nfs/dbraw/zinc/37/93/09/643379309.db2.gz XDYDXFYISXQRIX-UHFFFAOYSA-N 1 2 378.376 2.225 20 0 GEADLO O=C(C[N@@H+](CCO)CCOCC(F)(F)F)Nc1cccc2c1N=S=N2 ZINC000112982875 643379315 /nfs/dbraw/zinc/37/93/15/643379315.db2.gz XDYDXFYISXQRIX-UHFFFAOYSA-N 1 2 378.376 2.225 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000113580595 643400212 /nfs/dbraw/zinc/40/02/12/643400212.db2.gz KKYLADTYMLHYGX-CABCVRRESA-N 1 2 387.571 2.350 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCCCn2cc[nH+]c2)c(F)cc1Br ZINC000497545491 650836480 /nfs/dbraw/zinc/83/64/80/650836480.db2.gz IRSBSEMCNUHBBY-UHFFFAOYSA-N 1 2 383.221 2.238 20 0 GEADLO O=C(NCCn1cc[nH+]c1)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000497880399 650840739 /nfs/dbraw/zinc/84/07/39/650840739.db2.gz GTVXLKSPYKDHPP-UHFFFAOYSA-N 1 2 389.612 2.193 20 0 GEADLO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2csc(C3CC3)n2)c1 ZINC000117951026 643502158 /nfs/dbraw/zinc/50/21/58/643502158.db2.gz AQMMQACQVJPWBC-UHFFFAOYSA-N 1 2 381.523 2.235 20 0 GEADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000119221807 643543269 /nfs/dbraw/zinc/54/32/69/643543269.db2.gz APLHRXFNIUOACU-NSHDSACASA-N 1 2 398.248 2.448 20 0 GEADLO COCCn1cnn(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c1=S ZINC000122263688 643651796 /nfs/dbraw/zinc/65/17/96/643651796.db2.gz LKJBBRWPIMRGCL-UHFFFAOYSA-N 1 2 381.933 2.489 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)sc1C ZINC000540217432 650860258 /nfs/dbraw/zinc/86/02/58/650860258.db2.gz PTJSETNTBXLMMB-SJORKVTESA-N 1 2 380.535 2.279 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)sc1C ZINC000540217432 650860263 /nfs/dbraw/zinc/86/02/63/650860263.db2.gz PTJSETNTBXLMMB-SJORKVTESA-N 1 2 380.535 2.279 20 0 GEADLO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)nnn1-c1cccc(Br)c1 ZINC000540223333 650860667 /nfs/dbraw/zinc/86/06/67/650860667.db2.gz FDVKTYZHVYCVDL-WDEREUQCSA-N 1 2 380.290 2.466 20 0 GEADLO Cc1nc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1 ZINC000126552081 643734682 /nfs/dbraw/zinc/73/46/82/643734682.db2.gz HYABAIQNKKKEJB-ZDUSSCGKSA-N 1 2 381.523 2.323 20 0 GEADLO CSCC[C@H](C)[N@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000126598607 643737203 /nfs/dbraw/zinc/73/72/03/643737203.db2.gz JTINHPFXNBTOTB-GOEBONIOSA-N 1 2 376.588 2.018 20 0 GEADLO CSCC[C@H](C)[N@@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000126598607 643737207 /nfs/dbraw/zinc/73/72/07/643737207.db2.gz JTINHPFXNBTOTB-GOEBONIOSA-N 1 2 376.588 2.018 20 0 GEADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000126652565 643739720 /nfs/dbraw/zinc/73/97/20/643739720.db2.gz JNCBCRARFMZOHV-SBKAZYGRSA-N 1 2 381.361 2.168 20 0 GEADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000126652565 643739727 /nfs/dbraw/zinc/73/97/27/643739727.db2.gz JNCBCRARFMZOHV-SBKAZYGRSA-N 1 2 381.361 2.168 20 0 GEADLO C[C@H](C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[NH+]1CCSCC1 ZINC000130871726 643853559 /nfs/dbraw/zinc/85/35/59/643853559.db2.gz RZKFOKUVVVOUBY-ABAIWWIYSA-N 1 2 385.892 2.138 20 0 GEADLO Cc1c(Br)cccc1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000130995772 643858309 /nfs/dbraw/zinc/85/83/09/643858309.db2.gz MMEOSDXNLKYVDT-UHFFFAOYSA-N 1 2 380.330 2.498 20 0 GEADLO O=C(Nc1cnc(Br)cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133410381 643894491 /nfs/dbraw/zinc/89/44/91/643894491.db2.gz KHRVSEJUSIAXJP-CYBMUJFWSA-N 1 2 377.242 2.079 20 0 GEADLO O=C(Nc1cnc(Br)cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133410381 643894494 /nfs/dbraw/zinc/89/44/94/643894494.db2.gz KHRVSEJUSIAXJP-CYBMUJFWSA-N 1 2 377.242 2.079 20 0 GEADLO Cc1ccsc1-c1nnc(NC(=O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)o1 ZINC000153578190 643994572 /nfs/dbraw/zinc/99/45/72/643994572.db2.gz NQIOCNHEXFKPLI-RYUDHWBXSA-N 1 2 380.495 2.251 20 0 GEADLO Cc1ccsc1-c1nnc(NC(=O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)o1 ZINC000153578190 643994576 /nfs/dbraw/zinc/99/45/76/643994576.db2.gz NQIOCNHEXFKPLI-RYUDHWBXSA-N 1 2 380.495 2.251 20 0 GEADLO CN(CCNc1cc(N2CCCCC2)nc[nH+]1)S(=O)(=O)c1cccs1 ZINC000154370176 644039731 /nfs/dbraw/zinc/03/97/31/644039731.db2.gz XENWHVZTSHHSQI-UHFFFAOYSA-N 1 2 381.527 2.261 20 0 GEADLO CN(CCNc1cc(N2CCCCC2)[nH+]cn1)S(=O)(=O)c1cccs1 ZINC000154370176 644039735 /nfs/dbraw/zinc/03/97/35/644039735.db2.gz XENWHVZTSHHSQI-UHFFFAOYSA-N 1 2 381.527 2.261 20 0 GEADLO C[C@@H](CNC(=O)Cc1c[nH]c2cccc(Br)c12)[NH+]1CCN(C)CC1 ZINC000154660383 644058626 /nfs/dbraw/zinc/05/86/26/644058626.db2.gz FCMRJPXPTQVNBX-ZDUSSCGKSA-N 1 2 393.329 2.225 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000155100397 644063628 /nfs/dbraw/zinc/06/36/28/644063628.db2.gz OZESWCGELHJFIV-HNNXBMFYSA-N 1 2 390.908 2.353 20 0 GEADLO O=C(Nc1nnc(C(F)(F)F)s1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000156431134 644096447 /nfs/dbraw/zinc/09/64/47/644096447.db2.gz BZOLRIPCEXHXER-SNVBAGLBSA-N 1 2 379.408 2.276 20 0 GEADLO CS(=O)(=O)CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CC1 ZINC000156768204 644116516 /nfs/dbraw/zinc/11/65/16/644116516.db2.gz GFLGIYYSDBUAPR-CYBMUJFWSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)CC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CC1 ZINC000156768204 644116518 /nfs/dbraw/zinc/11/65/18/644116518.db2.gz GFLGIYYSDBUAPR-CYBMUJFWSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)CC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000156787963 644117762 /nfs/dbraw/zinc/11/77/62/644117762.db2.gz DNZPBSJLHOZOCG-LBPRGKRZSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)CC[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000156787963 644117767 /nfs/dbraw/zinc/11/77/67/644117767.db2.gz DNZPBSJLHOZOCG-LBPRGKRZSA-N 1 2 382.309 2.242 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000499921862 650894991 /nfs/dbraw/zinc/89/49/91/650894991.db2.gz NFYQBXCDRRXJFI-LLVKDONJSA-N 1 2 391.269 2.098 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000499921862 650894993 /nfs/dbraw/zinc/89/49/93/650894993.db2.gz NFYQBXCDRRXJFI-LLVKDONJSA-N 1 2 391.269 2.098 20 0 GEADLO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000158902236 644166342 /nfs/dbraw/zinc/16/63/42/644166342.db2.gz ODUUASPZQBJRNP-LBPRGKRZSA-N 1 2 394.324 2.121 20 0 GEADLO O=C1[C@H]([NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)CCN1C1CC1 ZINC000161675221 644214882 /nfs/dbraw/zinc/21/48/82/644214882.db2.gz LNFRMNFNLUMFNI-QGZVFWFLSA-N 1 2 396.304 2.469 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000161688595 644215446 /nfs/dbraw/zinc/21/54/46/644215446.db2.gz FPSCTTFPBWZEFR-UHFFFAOYSA-N 1 2 376.511 2.381 20 0 GEADLO NC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1cccc(Br)c1 ZINC000162022314 644229729 /nfs/dbraw/zinc/22/97/29/644229729.db2.gz AZEJSGHOKJLOLZ-HNNXBMFYSA-N 1 2 380.217 2.343 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cccc(Br)c1 ZINC000162093965 644231863 /nfs/dbraw/zinc/23/18/63/644231863.db2.gz RYTAKIUWLJLUNS-CVEARBPZSA-N 1 2 388.265 2.371 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2csc(I)c2)CCO1 ZINC000171602036 644329596 /nfs/dbraw/zinc/32/95/96/644329596.db2.gz ZJKLLWYEQJRDIV-UHFFFAOYSA-N 1 2 394.278 2.193 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2csc(I)c2)CCO1 ZINC000171602036 644329600 /nfs/dbraw/zinc/32/96/00/644329600.db2.gz ZJKLLWYEQJRDIV-UHFFFAOYSA-N 1 2 394.278 2.193 20 0 GEADLO Cc1nc(N2CCN(S(=O)(=O)c3ccccc3Br)CC2)cc[nH+]1 ZINC000174671592 644380244 /nfs/dbraw/zinc/38/02/44/644380244.db2.gz AFFPEWZFVNEIAY-UHFFFAOYSA-N 1 2 397.298 2.058 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)ccc1Cl ZINC000177726992 644425703 /nfs/dbraw/zinc/42/57/03/644425703.db2.gz APLQIAGSEBDXJB-UHFFFAOYSA-N 1 2 379.825 2.253 20 0 GEADLO COC(=O)C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000178814270 644441537 /nfs/dbraw/zinc/44/15/37/644441537.db2.gz HWBZJPIVBXPXIZ-AWEZNQCLSA-N 1 2 385.258 2.042 20 0 GEADLO COC(=O)C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000178814270 644441540 /nfs/dbraw/zinc/44/15/40/644441540.db2.gz HWBZJPIVBXPXIZ-AWEZNQCLSA-N 1 2 385.258 2.042 20 0 GEADLO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@H]2CCNC2=O)c2ccc(Cl)cc2)c1 ZINC000179048371 644450968 /nfs/dbraw/zinc/45/09/68/644450968.db2.gz VNIMMJPRSIAIKS-IRXDYDNUSA-N 1 2 378.881 2.311 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)c1ccnc(Cl)c1I ZINC000179267370 644454302 /nfs/dbraw/zinc/45/43/02/644454302.db2.gz CYDTUGMVCXKWNV-UHFFFAOYSA-N 1 2 376.585 2.035 20 0 GEADLO C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181061531 644522390 /nfs/dbraw/zinc/52/23/90/644522390.db2.gz CDXLMIYWAWTDSC-CYBMUJFWSA-N 1 2 386.290 2.432 20 0 GEADLO C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181061531 644522393 /nfs/dbraw/zinc/52/23/93/644522393.db2.gz CDXLMIYWAWTDSC-CYBMUJFWSA-N 1 2 386.290 2.432 20 0 GEADLO COc1cc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)ccc1SC ZINC000181737579 644946346 /nfs/dbraw/zinc/94/63/46/644946346.db2.gz NTNOEKRNQMTYCV-UHFFFAOYSA-N 1 2 384.567 2.112 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2c(F)cc(Cl)cc2F)CC1 ZINC000182783632 644971674 /nfs/dbraw/zinc/97/16/74/644971674.db2.gz BEJNSFASJFRXGR-UHFFFAOYSA-N 1 2 395.859 2.249 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1nc(C(C)(C)C)cs1 ZINC000184445566 645018712 /nfs/dbraw/zinc/01/87/12/645018712.db2.gz QCTBQNWDZSMRNH-FRRDWIJNSA-N 1 2 387.571 2.125 20 0 GEADLO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Br)cc(F)c1O ZINC000186039736 645058144 /nfs/dbraw/zinc/05/81/44/645058144.db2.gz KKALWJZDFYDZFP-UZMFJHSZSA-N 1 2 398.232 2.471 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187036286 645080010 /nfs/dbraw/zinc/08/00/10/645080010.db2.gz MKDURFIHMPIZJN-YGRLFVJLSA-N 1 2 382.295 2.377 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187036286 645080013 /nfs/dbraw/zinc/08/00/13/645080013.db2.gz MKDURFIHMPIZJN-YGRLFVJLSA-N 1 2 382.295 2.377 20 0 GEADLO O=C(CC[N@@H+]1CCSC[C@H]1c1nccs1)NC(=O)NCC(F)(F)F ZINC000187044188 645080542 /nfs/dbraw/zinc/08/05/42/645080542.db2.gz MBHHCVIDIGBRBY-VIFPVBQESA-N 1 2 382.433 2.011 20 0 GEADLO O=C(CC[N@H+]1CCSC[C@H]1c1nccs1)NC(=O)NCC(F)(F)F ZINC000187044188 645080546 /nfs/dbraw/zinc/08/05/46/645080546.db2.gz MBHHCVIDIGBRBY-VIFPVBQESA-N 1 2 382.433 2.011 20 0 GEADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187038039 645080642 /nfs/dbraw/zinc/08/06/42/645080642.db2.gz ZUTIJEVKYAOXQP-RULNRJAQSA-N 1 2 382.295 2.375 20 0 GEADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187038039 645080645 /nfs/dbraw/zinc/08/06/45/645080645.db2.gz ZUTIJEVKYAOXQP-RULNRJAQSA-N 1 2 382.295 2.375 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000545558361 650978830 /nfs/dbraw/zinc/97/88/30/650978830.db2.gz SKKPCYSGPKRQGX-ZDUSSCGKSA-N 1 2 396.285 2.256 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000545558361 650978832 /nfs/dbraw/zinc/97/88/32/650978832.db2.gz SKKPCYSGPKRQGX-ZDUSSCGKSA-N 1 2 396.285 2.256 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1Br ZINC000188045660 645104792 /nfs/dbraw/zinc/10/47/92/645104792.db2.gz ONEBZWGJBNBQLF-UHFFFAOYSA-N 1 2 379.258 2.407 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000188805725 645126467 /nfs/dbraw/zinc/12/64/67/645126467.db2.gz XATGNHQLVVSEDF-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@H+]1CC(C)(C)O ZINC000188805725 645126471 /nfs/dbraw/zinc/12/64/71/645126471.db2.gz XATGNHQLVVSEDF-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000190373754 645154769 /nfs/dbraw/zinc/15/47/69/645154769.db2.gz DZHSEMLVYAKBSO-OAHLLOKOSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000190373754 645154775 /nfs/dbraw/zinc/15/47/75/645154775.db2.gz DZHSEMLVYAKBSO-OAHLLOKOSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000190377046 645155588 /nfs/dbraw/zinc/15/55/88/645155588.db2.gz CKTVXQLFSYRJTK-INIZCTEOSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000190377046 645155599 /nfs/dbraw/zinc/15/55/99/645155599.db2.gz CKTVXQLFSYRJTK-INIZCTEOSA-N 1 2 390.933 2.221 20 0 GEADLO Fc1cc(CNc2ncc(I)cn2)ccc1-n1cc[nH+]c1 ZINC000545915807 650985368 /nfs/dbraw/zinc/98/53/68/650985368.db2.gz HAFHJAQFQFSIFY-UHFFFAOYSA-N 1 2 395.179 3.018 20 0 GEADLO C[C@@H]1CSCC[N@H+](Cn2nc3n(c2=S)c2ccccc2c(=O)n3C)C1 ZINC000192177130 645197765 /nfs/dbraw/zinc/19/77/65/645197765.db2.gz JZCXCBOUEDASCU-LBPRGKRZSA-N 1 2 375.523 2.360 20 0 GEADLO C[C@@H]1CSCC[N@@H+](Cn2nc3n(c2=S)c2ccccc2c(=O)n3C)C1 ZINC000192177130 645197769 /nfs/dbraw/zinc/19/77/69/645197769.db2.gz JZCXCBOUEDASCU-LBPRGKRZSA-N 1 2 375.523 2.360 20 0 GEADLO CC(C)OC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Br)cc2)CCO1 ZINC000546030986 650988472 /nfs/dbraw/zinc/98/84/72/650988472.db2.gz JHZWPRACSYKTBP-RDJZCZTQSA-N 1 2 388.302 2.315 20 0 GEADLO CC(C)OC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)CCO1 ZINC000546030986 650988475 /nfs/dbraw/zinc/98/84/75/650988475.db2.gz JHZWPRACSYKTBP-RDJZCZTQSA-N 1 2 388.302 2.315 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000192423427 645204389 /nfs/dbraw/zinc/20/43/89/645204389.db2.gz DCEKGGZGDOFSHX-LLVKDONJSA-N 1 2 380.247 2.289 20 0 GEADLO Cc1c(Br)ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)c1F ZINC000192481006 645208786 /nfs/dbraw/zinc/20/87/86/645208786.db2.gz KIWASFPCHYZIPJ-UHFFFAOYSA-N 1 2 383.221 2.238 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000546211606 650996072 /nfs/dbraw/zinc/99/60/72/650996072.db2.gz UWKNIBBYQOICJS-ABAIWWIYSA-N 1 2 395.301 2.312 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000546211606 650996075 /nfs/dbraw/zinc/99/60/75/650996075.db2.gz UWKNIBBYQOICJS-ABAIWWIYSA-N 1 2 395.301 2.312 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000546211609 650996124 /nfs/dbraw/zinc/99/61/24/650996124.db2.gz UWKNIBBYQOICJS-XHDPSFHLSA-N 1 2 395.301 2.312 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000546211609 650996128 /nfs/dbraw/zinc/99/61/28/650996128.db2.gz UWKNIBBYQOICJS-XHDPSFHLSA-N 1 2 395.301 2.312 20 0 GEADLO O=C(CC[N@@H+]1CCOC[C@@]12CCOC2)Nc1ccc(Br)cc1F ZINC000193708797 645292286 /nfs/dbraw/zinc/29/22/86/645292286.db2.gz QUJUPPVZESLDOZ-INIZCTEOSA-N 1 2 387.249 2.408 20 0 GEADLO O=C(CC[N@H+]1CCOC[C@@]12CCOC2)Nc1ccc(Br)cc1F ZINC000193708797 645292294 /nfs/dbraw/zinc/29/22/94/645292294.db2.gz QUJUPPVZESLDOZ-INIZCTEOSA-N 1 2 387.249 2.408 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc(Cc2c[nH+]cn2C)no1 ZINC000546549536 651001818 /nfs/dbraw/zinc/00/18/18/651001818.db2.gz VBGVJQAWYJOPQZ-JTQLQIEISA-N 1 2 381.845 2.087 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCCn1cc[nH+]c1 ZINC000195475472 645382235 /nfs/dbraw/zinc/38/22/35/645382235.db2.gz FIWRYZHLJZDNHY-UHFFFAOYSA-N 1 2 394.273 2.282 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(=O)n(C)c3)[nH+]c12 ZINC000546824729 651010644 /nfs/dbraw/zinc/01/06/44/651010644.db2.gz FSRTZKGVNIOPPE-UHFFFAOYSA-N 1 2 389.253 2.076 20 0 GEADLO O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)[C@@H]1COCC[NH2+]1 ZINC000237823069 645444099 /nfs/dbraw/zinc/44/40/99/645444099.db2.gz ONHMQWASFVGOBX-LBPRGKRZSA-N 1 2 385.649 2.420 20 0 GEADLO CO[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000246105187 645475530 /nfs/dbraw/zinc/47/55/30/645475530.db2.gz KMQJDYOAHRCKBH-RHSMWYFYSA-N 1 2 396.285 2.284 20 0 GEADLO CO[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000246105187 645475537 /nfs/dbraw/zinc/47/55/37/645475537.db2.gz KMQJDYOAHRCKBH-RHSMWYFYSA-N 1 2 396.285 2.284 20 0 GEADLO CC[C@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CC[N@@H+]1C[C@H](C)O ZINC000246780401 645493808 /nfs/dbraw/zinc/49/38/08/645493808.db2.gz ISKZGYNGGXJTPY-AAEUAGOBSA-N 1 2 395.301 2.243 20 0 GEADLO CC[C@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CC[N@H+]1C[C@H](C)O ZINC000246780401 645493812 /nfs/dbraw/zinc/49/38/12/645493812.db2.gz ISKZGYNGGXJTPY-AAEUAGOBSA-N 1 2 395.301 2.243 20 0 GEADLO COC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000246799314 645494338 /nfs/dbraw/zinc/49/43/38/645494338.db2.gz PJTGWRKQFNNNFG-OLZOCXBDSA-N 1 2 394.693 2.189 20 0 GEADLO COC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000246799314 645494343 /nfs/dbraw/zinc/49/43/43/645494343.db2.gz PJTGWRKQFNNNFG-OLZOCXBDSA-N 1 2 394.693 2.189 20 0 GEADLO C[N@H+](C[C@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000246941613 645498689 /nfs/dbraw/zinc/49/86/89/645498689.db2.gz FCGBXBBUMKTCFR-RHSMWYFYSA-N 1 2 396.285 2.284 20 0 GEADLO C[N@@H+](C[C@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000246941613 645498701 /nfs/dbraw/zinc/49/87/01/645498701.db2.gz FCGBXBBUMKTCFR-RHSMWYFYSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C[C@@H](CO)O1 ZINC000248734434 645535880 /nfs/dbraw/zinc/53/58/80/645535880.db2.gz GWDHJUXNJVBHKH-COXVUDFISA-N 1 2 397.313 2.194 20 0 GEADLO O=C(c1cccc(Br)c1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261612199 645590388 /nfs/dbraw/zinc/59/03/88/645590388.db2.gz AGFDATJQQMXTPU-UHFFFAOYSA-N 1 2 390.285 2.164 20 0 GEADLO Cc1cc(Br)ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261621206 645590856 /nfs/dbraw/zinc/59/08/56/645590856.db2.gz DGJSFOUMYFYIIS-OAHLLOKOSA-N 1 2 396.310 2.488 20 0 GEADLO O=C(CCc1cc(Cl)cs1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261830105 645603743 /nfs/dbraw/zinc/60/37/43/645603743.db2.gz VHEANBBNHGHKLI-UHFFFAOYSA-N 1 2 379.917 2.435 20 0 GEADLO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000261843403 645604421 /nfs/dbraw/zinc/60/44/21/645604421.db2.gz VCGTVIWGCBPNDK-BXUZGUMPSA-N 1 2 380.495 2.257 20 0 GEADLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cnc3n2CCC3)[C@@H]1c1ccc(Cl)cc1 ZINC000547474252 651027775 /nfs/dbraw/zinc/02/77/75/651027775.db2.gz SGWFRHBCHOGHHK-PBHICJAKSA-N 1 2 380.901 2.206 20 0 GEADLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cnc3n2CCC3)[C@@H]1c1ccc(Cl)cc1 ZINC000547474252 651027779 /nfs/dbraw/zinc/02/77/79/651027779.db2.gz SGWFRHBCHOGHHK-PBHICJAKSA-N 1 2 380.901 2.206 20 0 GEADLO CSCC[C@H]1NC(=S)N(c2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000264380707 645682004 /nfs/dbraw/zinc/68/20/04/645682004.db2.gz OMVXDOJNUNYNTI-CZUORRHYSA-N 1 2 379.551 2.423 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCS(=O)(=O)[C@H](C)C3)n2)C1 ZINC000265711185 645793663 /nfs/dbraw/zinc/79/36/63/645793663.db2.gz WAEXUCUEUVQVHD-CHWSQXEVSA-N 1 2 386.543 2.026 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCS(=O)(=O)[C@H](C)C3)n2)C1 ZINC000265711185 645793667 /nfs/dbraw/zinc/79/36/67/645793667.db2.gz WAEXUCUEUVQVHD-CHWSQXEVSA-N 1 2 386.543 2.026 20 0 GEADLO Cn1cc(CC[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cn1 ZINC000265846568 645806412 /nfs/dbraw/zinc/80/64/12/645806412.db2.gz OYBHHNJLQRRFQZ-UHFFFAOYSA-N 1 2 388.946 2.074 20 0 GEADLO Cn1cc(CC[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cn1 ZINC000265846568 645806416 /nfs/dbraw/zinc/80/64/16/645806416.db2.gz OYBHHNJLQRRFQZ-UHFFFAOYSA-N 1 2 388.946 2.074 20 0 GEADLO CN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000547857903 651048211 /nfs/dbraw/zinc/04/82/11/651048211.db2.gz URCSLVJHLJYHRQ-IUODEOHRSA-N 1 2 383.901 2.047 20 0 GEADLO CN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000547857903 651048217 /nfs/dbraw/zinc/04/82/17/651048217.db2.gz URCSLVJHLJYHRQ-IUODEOHRSA-N 1 2 383.901 2.047 20 0 GEADLO CNS(=O)(=O)C1CC[NH+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000266758413 645862530 /nfs/dbraw/zinc/86/25/30/645862530.db2.gz SCENZGRIJUZYGH-NSHDSACASA-N 1 2 384.889 2.465 20 0 GEADLO COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000267465502 645904892 /nfs/dbraw/zinc/90/48/92/645904892.db2.gz WSJBSGRXKDAJDF-NSHDSACASA-N 1 2 395.257 2.106 20 0 GEADLO COCCC[N@H+](CCOC)CCS(=O)(=O)c1cccc(Br)c1 ZINC000267466600 645905099 /nfs/dbraw/zinc/90/50/99/645905099.db2.gz VMHJWANCZPLYHL-UHFFFAOYSA-N 1 2 394.331 2.208 20 0 GEADLO COCCC[N@@H+](CCOC)CCS(=O)(=O)c1cccc(Br)c1 ZINC000267466600 645905104 /nfs/dbraw/zinc/90/51/04/645905104.db2.gz VMHJWANCZPLYHL-UHFFFAOYSA-N 1 2 394.331 2.208 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CS(=O)(=O)Cc1c[nH+]cn1C ZINC000268138716 645947247 /nfs/dbraw/zinc/94/72/47/645947247.db2.gz BVSZPTVSRYQKIW-UHFFFAOYSA-N 1 2 386.271 2.045 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)S(=O)(=O)Cc1c[nH+]cn1C ZINC000268213830 645953857 /nfs/dbraw/zinc/95/38/57/645953857.db2.gz REZJMOSXYFHOFZ-SNVBAGLBSA-N 1 2 386.271 2.125 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CCCCC(N)=O)[nH+]c12 ZINC000548004674 651060413 /nfs/dbraw/zinc/06/04/13/651060413.db2.gz YZJUOURPVKPNQS-UHFFFAOYSA-N 1 2 381.274 2.110 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@]3(C)CCS(=O)(=O)C3)n2)C1 ZINC000268510578 645971402 /nfs/dbraw/zinc/97/14/02/645971402.db2.gz RUTFFWFFJVLKJE-BLLLJJGKSA-N 1 2 386.543 2.074 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@]3(C)CCS(=O)(=O)C3)n2)C1 ZINC000268510578 645971408 /nfs/dbraw/zinc/97/14/08/645971408.db2.gz RUTFFWFFJVLKJE-BLLLJJGKSA-N 1 2 386.543 2.074 20 0 GEADLO Cc1ncc(S(=O)(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)s1 ZINC000270003122 646082566 /nfs/dbraw/zinc/08/25/66/646082566.db2.gz RXNWZFSOHWQFPL-UHFFFAOYSA-N 1 2 384.527 2.247 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1sc(-c2cccs2)nc1C ZINC000270431178 646107088 /nfs/dbraw/zinc/10/70/88/646107088.db2.gz GAMINIGHESYNKO-NSHDSACASA-N 1 2 376.463 2.417 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1sc(-c2cccs2)nc1C ZINC000270431178 646107092 /nfs/dbraw/zinc/10/70/92/646107092.db2.gz GAMINIGHESYNKO-NSHDSACASA-N 1 2 376.463 2.417 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Br)n1 ZINC000271626572 646215926 /nfs/dbraw/zinc/21/59/26/646215926.db2.gz JAIGJUNQSSBKNR-LLVKDONJSA-N 1 2 392.257 2.220 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000275827191 646361244 /nfs/dbraw/zinc/36/12/44/646361244.db2.gz ZEYPOFVREMFHQW-UHFFFAOYSA-N 1 2 376.682 2.292 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(=O)n1C ZINC000277432421 646418902 /nfs/dbraw/zinc/41/89/02/646418902.db2.gz MMBSFCYJKUBSMY-XHDPSFHLSA-N 1 2 393.285 2.376 20 0 GEADLO C[C@H]([C@H](C)N1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O)[NH+]1CCOCC1 ZINC000277969576 646484481 /nfs/dbraw/zinc/48/44/81/646484481.db2.gz SDHDBFBYQOESLR-XUJVJEKNSA-N 1 2 396.285 2.151 20 0 GEADLO C[C@@H](c1nccs1)N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000277984580 646486200 /nfs/dbraw/zinc/48/62/00/646486200.db2.gz ZUBKYVSFNRSSSA-AWEZNQCLSA-N 1 2 376.555 2.370 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000278442475 646519737 /nfs/dbraw/zinc/51/97/37/646519737.db2.gz WKLQUBJIVALLTN-NEPJUHHUSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000278442475 646519753 /nfs/dbraw/zinc/51/97/53/646519753.db2.gz WKLQUBJIVALLTN-NEPJUHHUSA-N 1 2 376.266 2.359 20 0 GEADLO O=S(=O)(C[C@@H](O)C[NH2+]Cc1ncc(C(F)(F)F)s1)c1cccs1 ZINC000278656534 646535962 /nfs/dbraw/zinc/53/59/62/646535962.db2.gz MWFOKTYFFNKGBF-QMMMGPOBSA-N 1 2 386.442 2.148 20 0 GEADLO Cc1nn(C)c(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1Br ZINC000279763682 646624875 /nfs/dbraw/zinc/62/48/75/646624875.db2.gz FEYVROZPUNBDJA-IUODEOHRSA-N 1 2 382.306 2.170 20 0 GEADLO Cc1nn(C)c(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1Br ZINC000279763682 646624880 /nfs/dbraw/zinc/62/48/80/646624880.db2.gz FEYVROZPUNBDJA-IUODEOHRSA-N 1 2 382.306 2.170 20 0 GEADLO CNC(=O)[C@]1(C)CC[N@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000281123240 646748058 /nfs/dbraw/zinc/74/80/58/646748058.db2.gz NWJSRYNSVNBCBO-QGZVFWFLSA-N 1 2 393.285 2.381 20 0 GEADLO CNC(=O)[C@]1(C)CC[N@@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000281123240 646748059 /nfs/dbraw/zinc/74/80/59/646748059.db2.gz NWJSRYNSVNBCBO-QGZVFWFLSA-N 1 2 393.285 2.381 20 0 GEADLO CC(C)(CNC(=O)c1cc(Br)cc2[nH]cnc21)[NH+]1CCOCC1 ZINC000281950437 646805651 /nfs/dbraw/zinc/80/56/51/646805651.db2.gz FMIYSZBASKYRHI-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cc(Br)cc2[nH]cnc21)[NH+]1CCOCC1 ZINC000281993205 646809048 /nfs/dbraw/zinc/80/90/48/646809048.db2.gz CNWPCMRLRHCBLP-WDEREUQCSA-N 1 2 381.274 2.164 20 0 GEADLO COc1ccc(Br)cc1CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000285987399 646863917 /nfs/dbraw/zinc/86/39/17/646863917.db2.gz XNJJWDXHFSSVMW-CJNGLKHVSA-N 1 2 397.313 2.322 20 0 GEADLO COc1sc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1Br ZINC000289399586 646932695 /nfs/dbraw/zinc/93/26/95/646932695.db2.gz ONTZOPJWAFORPQ-UHFFFAOYSA-N 1 2 397.360 2.280 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)S[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000289404381 646933314 /nfs/dbraw/zinc/93/33/14/646933314.db2.gz NQEYQFSEVMHLGF-GJZGRUSLSA-N 1 2 384.567 2.437 20 0 GEADLO Cc1c(CC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)cnn1C ZINC000292671951 647204528 /nfs/dbraw/zinc/20/45/28/647204528.db2.gz BOKNEAZJMFEEBL-UHFFFAOYSA-N 1 2 390.285 2.349 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)o1 ZINC000294879744 647225604 /nfs/dbraw/zinc/22/56/04/647225604.db2.gz ACSSLTIRBYRTOE-ZYHUDNBSSA-N 1 2 388.251 2.289 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)o1 ZINC000294879744 647225612 /nfs/dbraw/zinc/22/56/12/647225612.db2.gz ACSSLTIRBYRTOE-ZYHUDNBSSA-N 1 2 388.251 2.289 20 0 GEADLO O=C(c1cc(Br)c(F)cc1O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000294941542 647228278 /nfs/dbraw/zinc/22/82/78/647228278.db2.gz LLKHMQCCJYCJGR-NSHDSACASA-N 1 2 387.249 2.088 20 0 GEADLO CN(Cc1cc(Br)cs1)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000330110059 647330690 /nfs/dbraw/zinc/33/06/90/647330690.db2.gz QAZRSLBEIIKVFT-UHFFFAOYSA-N 1 2 396.314 2.215 20 0 GEADLO CN(Cc1cc(Br)cs1)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000330110059 647330696 /nfs/dbraw/zinc/33/06/96/647330696.db2.gz QAZRSLBEIIKVFT-UHFFFAOYSA-N 1 2 396.314 2.215 20 0 GEADLO CS(=O)(=O)N1CCC[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000334025380 647487680 /nfs/dbraw/zinc/48/76/80/647487680.db2.gz GRUWJBNDEZRIBZ-CYBMUJFWSA-N 1 2 384.299 2.833 20 0 GEADLO O=S1(=O)CCCN1C1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000334034123 647488057 /nfs/dbraw/zinc/48/80/57/647488057.db2.gz MSRAEFUWOQRQRI-UHFFFAOYSA-N 1 2 386.901 2.111 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000360640078 647559124 /nfs/dbraw/zinc/55/91/24/647559124.db2.gz WPRBBMOJOMDOEN-ZIAGYGMSSA-N 1 2 379.309 2.213 20 0 GEADLO O=C(CSc1cccc(Br)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000361071329 647559663 /nfs/dbraw/zinc/55/96/63/647559663.db2.gz USGQDFYBEPFIRM-CQSZACIVSA-N 1 2 385.327 2.474 20 0 GEADLO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000362854399 647574827 /nfs/dbraw/zinc/57/48/27/647574827.db2.gz XOLITFNSHIBAGO-LLVKDONJSA-N 1 2 378.466 2.445 20 0 GEADLO Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000363023871 647579781 /nfs/dbraw/zinc/57/97/81/647579781.db2.gz WFEQRYDCZXCRKA-CYBMUJFWSA-N 1 2 378.523 2.480 20 0 GEADLO Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000363023871 647579783 /nfs/dbraw/zinc/57/97/83/647579783.db2.gz WFEQRYDCZXCRKA-CYBMUJFWSA-N 1 2 378.523 2.480 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000363498094 647597747 /nfs/dbraw/zinc/59/77/47/647597747.db2.gz WPWUEDQAVOMXJJ-LSDHHAIUSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000363498094 647597749 /nfs/dbraw/zinc/59/77/49/647597749.db2.gz WPWUEDQAVOMXJJ-LSDHHAIUSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000363566102 647601150 /nfs/dbraw/zinc/60/11/50/647601150.db2.gz MOGMWKOPYLLCPP-CVEARBPZSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000363566102 647601154 /nfs/dbraw/zinc/60/11/54/647601154.db2.gz MOGMWKOPYLLCPP-CVEARBPZSA-N 1 2 384.307 2.377 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000363636445 647604004 /nfs/dbraw/zinc/60/40/04/647604004.db2.gz BGKNIBHTHAFVID-UHFFFAOYSA-N 1 2 383.905 2.033 20 0 GEADLO Cc1cc(Br)cn2c(CN3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)c[nH+]c12 ZINC000364936547 647650409 /nfs/dbraw/zinc/65/04/09/647650409.db2.gz OURHZYSBZBKVDG-NILFDRSVSA-N 1 2 377.286 2.491 20 0 GEADLO C[C@@H]1CCN(Cc2nnc(S(C)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000364948737 647650952 /nfs/dbraw/zinc/65/09/52/647650952.db2.gz FJGFPEHFYGDFHB-CQSZACIVSA-N 1 2 380.539 2.038 20 0 GEADLO C[C@@H]1CCN(Cc2nnc(S(C)(=O)=O)s2)CC[N@H+]1Cc1ccccc1 ZINC000364948737 647650953 /nfs/dbraw/zinc/65/09/53/647650953.db2.gz FJGFPEHFYGDFHB-CQSZACIVSA-N 1 2 380.539 2.038 20 0 GEADLO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365094149 647658491 /nfs/dbraw/zinc/65/84/91/647658491.db2.gz ZEKHYYHHEHZDDF-NSHDSACASA-N 1 2 386.930 2.028 20 0 GEADLO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000365104312 647659140 /nfs/dbraw/zinc/65/91/40/647659140.db2.gz HIPQVPGGMRHZSW-KRWDZBQOSA-N 1 2 394.357 2.478 20 0 GEADLO C[C@H]([NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)C(=O)OC1CCCC1 ZINC000365440148 647669275 /nfs/dbraw/zinc/66/92/75/647669275.db2.gz UGILSDQZGBGTSR-ZDUSSCGKSA-N 1 2 386.539 2.365 20 0 GEADLO Nc1nccc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)n1 ZINC000366822975 647706252 /nfs/dbraw/zinc/70/62/52/647706252.db2.gz HBPOYSQQBCJWTR-LBPRGKRZSA-N 1 2 390.285 2.639 20 0 GEADLO Nc1nccc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cc3)C2)n1 ZINC000366822975 647706258 /nfs/dbraw/zinc/70/62/58/647706258.db2.gz HBPOYSQQBCJWTR-LBPRGKRZSA-N 1 2 390.285 2.639 20 0 GEADLO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367141657 647721359 /nfs/dbraw/zinc/72/13/59/647721359.db2.gz VFTUQMKIWMZONU-LBPRGKRZSA-N 1 2 394.324 2.121 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000367529729 647735726 /nfs/dbraw/zinc/73/57/26/647735726.db2.gz TZITYTXIWCUBPR-CVEARBPZSA-N 1 2 385.917 2.235 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000367529729 647735731 /nfs/dbraw/zinc/73/57/31/647735731.db2.gz TZITYTXIWCUBPR-CVEARBPZSA-N 1 2 385.917 2.235 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)COc1ccccc1Br ZINC000367637973 647741599 /nfs/dbraw/zinc/74/15/99/647741599.db2.gz NJPWJVXSAGMBCE-KBPBESRZSA-N 1 2 383.286 2.150 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)COc1ccccc1Br ZINC000367637974 647741608 /nfs/dbraw/zinc/74/16/08/647741608.db2.gz NJPWJVXSAGMBCE-KGLIPLIRSA-N 1 2 383.286 2.150 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cnc1Br ZINC000367783966 647746222 /nfs/dbraw/zinc/74/62/22/647746222.db2.gz NCEMBUXMUQDCQY-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cnc1Br ZINC000367783966 647746227 /nfs/dbraw/zinc/74/62/27/647746227.db2.gz NCEMBUXMUQDCQY-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c(Br)c1 ZINC000368092337 647750433 /nfs/dbraw/zinc/75/04/33/647750433.db2.gz LESHKSYCKLGHJW-XQQFMLRXSA-N 1 2 380.286 2.152 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c(Br)c1 ZINC000368092337 647750437 /nfs/dbraw/zinc/75/04/37/647750437.db2.gz LESHKSYCKLGHJW-XQQFMLRXSA-N 1 2 380.286 2.152 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374349355 647822450 /nfs/dbraw/zinc/82/24/50/647822450.db2.gz HOORUJDVEXFBBF-LLVKDONJSA-N 1 2 383.857 2.038 20 0 GEADLO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000377989744 647875034 /nfs/dbraw/zinc/87/50/34/647875034.db2.gz SAEWEJCPPYLAAO-UHFFFAOYSA-N 1 2 383.633 2.280 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@H](CC(C)C)C(N)=O)[nH+]c12 ZINC000412249632 648046228 /nfs/dbraw/zinc/04/62/28/648046228.db2.gz JREYBVMXPCXZQS-CQSZACIVSA-N 1 2 395.301 2.212 20 0 GEADLO C[C@H](CNc1cc(NC[C@H](C)O)[nH+]cn1)Oc1ccc(Br)cc1 ZINC000413166403 648061595 /nfs/dbraw/zinc/06/15/95/648061595.db2.gz IPXVGFBFIKQLBL-NWDGAFQWSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@H](CNc1cc(NC[C@H](C)O)nc[nH+]1)Oc1ccc(Br)cc1 ZINC000413166403 648061600 /nfs/dbraw/zinc/06/16/00/648061600.db2.gz IPXVGFBFIKQLBL-NWDGAFQWSA-N 1 2 381.274 2.911 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413952211 648088153 /nfs/dbraw/zinc/08/81/53/648088153.db2.gz DCDRHULQBNGAJP-UHFFFAOYSA-N 1 2 386.290 2.002 20 0 GEADLO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1nc2ncccn2n1 ZINC000414271005 648088987 /nfs/dbraw/zinc/08/89/87/648088987.db2.gz QNSADYGJFSXDBR-LLVKDONJSA-N 1 2 389.257 2.394 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC000416534704 648163447 /nfs/dbraw/zinc/16/34/47/648163447.db2.gz LJJYTPJEHYMTNX-UHFFFAOYSA-N 1 2 376.251 2.151 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC000416538912 648165694 /nfs/dbraw/zinc/16/56/94/648165694.db2.gz XICBGANLKFLLDC-LBPRGKRZSA-N 1 2 387.889 2.008 20 0 GEADLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1C(F)(F)F ZINC000416665560 648206469 /nfs/dbraw/zinc/20/64/69/648206469.db2.gz ODJQBLFRCRBQIZ-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1C(F)(F)F ZINC000416665560 648206472 /nfs/dbraw/zinc/20/64/72/648206472.db2.gz ODJQBLFRCRBQIZ-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)Nc2c(F)cc(Cl)cc2F)CC1 ZINC000416971048 648220110 /nfs/dbraw/zinc/22/01/10/648220110.db2.gz OPRSONKTBQGODY-UHFFFAOYSA-N 1 2 377.819 2.429 20 0 GEADLO CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2I)CC1 ZINC000418101963 648280038 /nfs/dbraw/zinc/28/00/38/648280038.db2.gz QQZKLEMTGXIVKG-UHFFFAOYSA-N 1 2 391.228 2.324 20 0 GEADLO O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418273670 648290735 /nfs/dbraw/zinc/29/07/35/648290735.db2.gz XJKCWEUMTUELFI-SNVBAGLBSA-N 1 2 388.216 2.122 20 0 GEADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000419729570 648371772 /nfs/dbraw/zinc/37/17/72/648371772.db2.gz OTHWCWASLKRJDD-RDDDGLTNSA-N 1 2 377.080 2.221 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000420685720 648436088 /nfs/dbraw/zinc/43/60/88/648436088.db2.gz GJMGHJZUFFMERF-MNOVXSKESA-N 1 2 398.859 2.017 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000420685720 648436091 /nfs/dbraw/zinc/43/60/91/648436091.db2.gz GJMGHJZUFFMERF-MNOVXSKESA-N 1 2 398.859 2.017 20 0 GEADLO Cc1cc(CNC(=O)C(=O)NCCc2ccc(Br)cc2)cc(C)[nH+]1 ZINC000421389867 648489844 /nfs/dbraw/zinc/48/98/44/648489844.db2.gz RRJKKTOTKWTAQJ-UHFFFAOYSA-N 1 2 390.281 2.436 20 0 GEADLO CNC(=O)[C@@H]1CC[N@H+](Cc2c(Br)cncc2Br)C1 ZINC000421398361 648490416 /nfs/dbraw/zinc/49/04/16/648490416.db2.gz YTTOOCXBDOGWFR-MRVPVSSYSA-N 1 2 377.080 2.175 20 0 GEADLO CNC(=O)[C@@H]1CC[N@@H+](Cc2c(Br)cncc2Br)C1 ZINC000421398361 648490419 /nfs/dbraw/zinc/49/04/19/648490419.db2.gz YTTOOCXBDOGWFR-MRVPVSSYSA-N 1 2 377.080 2.175 20 0 GEADLO CC(=O)N[C@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000421641862 648501601 /nfs/dbraw/zinc/50/16/01/648501601.db2.gz WDXXIIIDKCVZNC-DLBZAZTESA-N 1 2 394.313 2.323 20 0 GEADLO C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)c1c(F)cccc1Cl ZINC000424539570 648633632 /nfs/dbraw/zinc/63/36/32/648633632.db2.gz CMLNRUUVVFZXEW-ZJUUUORDSA-N 1 2 377.794 2.017 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)CCO1 ZINC000424854864 648653107 /nfs/dbraw/zinc/65/31/07/648653107.db2.gz OCASYENISNYPMB-CYBMUJFWSA-N 1 2 396.285 2.360 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)CCO1 ZINC000424854864 648653117 /nfs/dbraw/zinc/65/31/17/648653117.db2.gz OCASYENISNYPMB-CYBMUJFWSA-N 1 2 396.285 2.360 20 0 GEADLO C[C@@H](C[S@@](C)=O)N(C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428353563 648732642 /nfs/dbraw/zinc/73/26/42/648732642.db2.gz VMOIFSTVNNXPKK-HWRSSNJWSA-N 1 2 386.587 2.012 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000429869791 648756373 /nfs/dbraw/zinc/75/63/73/648756373.db2.gz QDOPQSAJXUEJOW-UONOGXRCSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000429869791 648756379 /nfs/dbraw/zinc/75/63/79/648756379.db2.gz QDOPQSAJXUEJOW-UONOGXRCSA-N 1 2 382.917 2.357 20 0 GEADLO CC(C)OCCS(=O)(=O)N1CC[NH+](CCSCc2ccccc2)CC1 ZINC000430740686 648767511 /nfs/dbraw/zinc/76/75/11/648767511.db2.gz HGEJMQRSEWQJKZ-UHFFFAOYSA-N 1 2 386.583 2.292 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1c(F)cccc1Br ZINC000438820219 648805958 /nfs/dbraw/zinc/80/59/58/648805958.db2.gz RHSZTPOWEDMXEP-UHFFFAOYSA-N 1 2 381.205 2.150 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cc(Cl)cnc1N)[N@@H+]1CCc2sccc2C1 ZINC000443679682 648883821 /nfs/dbraw/zinc/88/38/21/648883821.db2.gz FXFCDGHSXODRGN-SNVBAGLBSA-N 1 2 386.930 2.104 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cc(Cl)cnc1N)[N@H+]1CCc2sccc2C1 ZINC000443679682 648883822 /nfs/dbraw/zinc/88/38/22/648883822.db2.gz FXFCDGHSXODRGN-SNVBAGLBSA-N 1 2 386.930 2.104 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1Cl ZINC000548295306 651076178 /nfs/dbraw/zinc/07/61/78/651076178.db2.gz BQRSUWNBUXRYOL-SECBINFHSA-N 1 2 376.265 2.492 20 0 GEADLO O=C(N[C@@H](CCO)c1ccccc1Br)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548661392 651082686 /nfs/dbraw/zinc/08/26/86/651082686.db2.gz RDNNRLOKHPZELT-DOMZBBRYSA-N 1 2 393.285 2.383 20 0 GEADLO O=c1c(Br)c(NCCCn2cc[nH+]c2)cnn1-c1ccccn1 ZINC000549465859 651097423 /nfs/dbraw/zinc/09/74/23/651097423.db2.gz RJZGDJLUMQEYEK-UHFFFAOYSA-N 1 2 375.230 2.089 20 0 GEADLO O=C(NCc1c(Cl)cccc1Cl)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000550727884 651114521 /nfs/dbraw/zinc/11/45/21/651114521.db2.gz WGFARXKQKYBENB-GFCCVEGCSA-N 1 2 381.263 2.497 20 0 GEADLO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000551399012 651123712 /nfs/dbraw/zinc/12/37/12/651123712.db2.gz ISZATFQGASXWAR-RYUDHWBXSA-N 1 2 383.279 2.442 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cccc(I)c2)C1 ZINC000551804326 651132997 /nfs/dbraw/zinc/13/29/97/651132997.db2.gz SRUFEIXCHSDRHW-AWEZNQCLSA-N 1 2 385.249 2.327 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cccc(I)c2)C1 ZINC000551804326 651132998 /nfs/dbraw/zinc/13/29/98/651132998.db2.gz SRUFEIXCHSDRHW-AWEZNQCLSA-N 1 2 385.249 2.327 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cccc(Br)c1)C2 ZINC000552007816 651137633 /nfs/dbraw/zinc/13/76/33/651137633.db2.gz NCDFDWKKAXTAAJ-AWEZNQCLSA-N 1 2 378.270 2.234 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCCOc1cccc(Br)c1 ZINC000552181497 651142592 /nfs/dbraw/zinc/14/25/92/651142592.db2.gz RGZXMTVTKXDWRO-CQSZACIVSA-N 1 2 385.302 2.445 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCCOc1cccc(Br)c1 ZINC000552181497 651142594 /nfs/dbraw/zinc/14/25/94/651142594.db2.gz RGZXMTVTKXDWRO-CQSZACIVSA-N 1 2 385.302 2.445 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Cl)cc(F)c2Br)CC[N@@H+]1CCO ZINC000552440723 651149516 /nfs/dbraw/zinc/14/95/16/651149516.db2.gz SIOLFOYODNYNLQ-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Cl)cc(F)c2Br)CC[N@H+]1CCO ZINC000552440723 651149519 /nfs/dbraw/zinc/14/95/19/651149519.db2.gz SIOLFOYODNYNLQ-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO O=C(NCc1sccc1Br)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000552891019 651160544 /nfs/dbraw/zinc/16/05/44/651160544.db2.gz WLQBDUBYDCHHNR-UHFFFAOYSA-N 1 2 393.266 2.091 20 0 GEADLO O=S(=O)(N[C@@H]1CCn2cc[nH+]c2C1)c1c(F)cccc1OC(F)(F)F ZINC000553862436 651191252 /nfs/dbraw/zinc/19/12/52/651191252.db2.gz YTZFMDXNIMYBIH-SECBINFHSA-N 1 2 379.335 2.214 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000554518491 651206144 /nfs/dbraw/zinc/20/61/44/651206144.db2.gz IQVDLNDSBRUJTA-UHFFFAOYSA-N 1 2 386.271 2.041 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1)C1CC1 ZINC000554744884 651212300 /nfs/dbraw/zinc/21/23/00/651212300.db2.gz AMAOZBJNROTJAB-CYBMUJFWSA-N 1 2 382.917 2.282 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1)C1CC1 ZINC000554744884 651212303 /nfs/dbraw/zinc/21/23/03/651212303.db2.gz AMAOZBJNROTJAB-CYBMUJFWSA-N 1 2 382.917 2.282 20 0 GEADLO CCC[N@H+](Cc1cnc2c(C)cc(Br)cn12)[C@@H]1CC(=O)N(C)C1=O ZINC000555349036 651223570 /nfs/dbraw/zinc/22/35/70/651223570.db2.gz RKNQKBNURZTKNQ-CQSZACIVSA-N 1 2 393.285 2.375 20 0 GEADLO CCC[N@@H+](Cc1cnc2c(C)cc(Br)cn12)[C@@H]1CC(=O)N(C)C1=O ZINC000555349036 651223572 /nfs/dbraw/zinc/22/35/72/651223572.db2.gz RKNQKBNURZTKNQ-CQSZACIVSA-N 1 2 393.285 2.375 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000555903269 651232509 /nfs/dbraw/zinc/23/25/09/651232509.db2.gz DMRWGCADQWIPCU-UHFFFAOYSA-N 1 2 384.889 2.013 20 0 GEADLO O=S(=O)(CCc1cccs1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000555964170 651234724 /nfs/dbraw/zinc/23/47/24/651234724.db2.gz RTPMDXRMHZEHMS-UHFFFAOYSA-N 1 2 379.551 2.032 20 0 GEADLO O=C(NCc1cc(Br)cs1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000556329232 651241213 /nfs/dbraw/zinc/24/12/13/651241213.db2.gz JJDJAWRIKXWHNV-UHFFFAOYSA-N 1 2 397.298 2.256 20 0 GEADLO O=C(NCc1cc(Br)cs1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000556329232 651241217 /nfs/dbraw/zinc/24/12/17/651241217.db2.gz JJDJAWRIKXWHNV-UHFFFAOYSA-N 1 2 397.298 2.256 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(Br)cc2)CC1 ZINC000556388799 651241860 /nfs/dbraw/zinc/24/18/60/651241860.db2.gz XYAOOJREPBHUIE-UHFFFAOYSA-N 1 2 396.329 2.007 20 0 GEADLO CC(C)[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)c1nncn1C ZINC000556823292 651254323 /nfs/dbraw/zinc/25/43/23/651254323.db2.gz HQSXJHJQKZJNBV-HNNXBMFYSA-N 1 2 391.273 2.072 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)Cc1ccc(Br)cc1)C2 ZINC000556832353 651254806 /nfs/dbraw/zinc/25/48/06/651254806.db2.gz CXIPYMPJYYUHLL-OAHLLOKOSA-N 1 2 392.297 2.163 20 0 GEADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000557459123 651269529 /nfs/dbraw/zinc/26/95/29/651269529.db2.gz QRYYZWFZUUWOIQ-CYBMUJFWSA-N 1 2 377.286 2.368 20 0 GEADLO CNC(=O)Cc1noc(C[NH2+]C(C)(C)c2ccc(Br)c(C)c2)n1 ZINC000558475809 651280080 /nfs/dbraw/zinc/28/00/80/651280080.db2.gz MKUSSMASSDSEHB-UHFFFAOYSA-N 1 2 381.274 2.454 20 0 GEADLO O=S(=O)(C1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1)N1CCCC1 ZINC000558619229 651283519 /nfs/dbraw/zinc/28/35/19/651283519.db2.gz MUFJPJKWHUPIKW-UHFFFAOYSA-N 1 2 386.901 2.459 20 0 GEADLO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000558896742 651287583 /nfs/dbraw/zinc/28/75/83/651287583.db2.gz KLJBFZGTJMFVMP-JKSUJKDBSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000558896742 651287586 /nfs/dbraw/zinc/28/75/86/651287586.db2.gz KLJBFZGTJMFVMP-JKSUJKDBSA-N 1 2 386.286 2.200 20 0 GEADLO O=S(=O)(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)N1CCCCCC1 ZINC000559246523 651293654 /nfs/dbraw/zinc/29/36/54/651293654.db2.gz PBWSIIRCZUFLEM-SFHVURJKSA-N 1 2 383.583 2.314 20 0 GEADLO O=S(=O)(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)N1CCCCCC1 ZINC000559246523 651293657 /nfs/dbraw/zinc/29/36/57/651293657.db2.gz PBWSIIRCZUFLEM-SFHVURJKSA-N 1 2 383.583 2.314 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)ccc2Br)C1 ZINC000560645077 651313208 /nfs/dbraw/zinc/31/32/08/651313208.db2.gz MGRUIAKWCRDTID-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)ccc2Br)C1 ZINC000560645077 651313210 /nfs/dbraw/zinc/31/32/10/651313210.db2.gz MGRUIAKWCRDTID-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cs2)C1 ZINC000560644760 651313259 /nfs/dbraw/zinc/31/32/59/651313259.db2.gz IYRYVCAGEKAYFZ-SNVBAGLBSA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(Br)cs2)C1 ZINC000560644760 651313264 /nfs/dbraw/zinc/31/32/64/651313264.db2.gz IYRYVCAGEKAYFZ-SNVBAGLBSA-N 1 2 375.288 2.125 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000642773247 651474711 /nfs/dbraw/zinc/47/47/11/651474711.db2.gz GCBZOBBEWHIPGT-ZIAGYGMSSA-N 1 2 379.309 2.213 20 0 GEADLO C[C@@H]([NH2+]Cc1n[nH]cc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000718134703 651475369 /nfs/dbraw/zinc/47/53/69/651475369.db2.gz SMDIHUNDIZIKSI-MFKMUULPSA-N 1 2 389.294 2.286 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)Cc2cc(Br)ccc2F)CCO1 ZINC000726253559 651488145 /nfs/dbraw/zinc/48/81/45/651488145.db2.gz ACFAGCHJAFOERG-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)Cc2cc(Br)ccc2F)CCO1 ZINC000726253559 651488150 /nfs/dbraw/zinc/48/81/50/651488150.db2.gz ACFAGCHJAFOERG-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)Cc2cc(Br)cs2)CCO1 ZINC000726257312 651488884 /nfs/dbraw/zinc/48/88/84/651488884.db2.gz RPDKXLCYFOBZNJ-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)Cc2cc(Br)cs2)CCO1 ZINC000726257312 651488886 /nfs/dbraw/zinc/48/88/86/651488886.db2.gz RPDKXLCYFOBZNJ-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726260408 651488912 /nfs/dbraw/zinc/48/89/12/651488912.db2.gz ZUZJVFUYVUHJJP-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726260408 651488916 /nfs/dbraw/zinc/48/89/16/651488916.db2.gz ZUZJVFUYVUHJJP-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000728590620 651548282 /nfs/dbraw/zinc/54/82/82/651548282.db2.gz GGOSJAFWQVHARG-ZDUSSCGKSA-N 1 2 383.857 2.349 20 0 GEADLO Cc1noc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)n1 ZINC000644546603 651553146 /nfs/dbraw/zinc/55/31/46/651553146.db2.gz IMOIGFLNLBBENM-JTQLQIEISA-N 1 2 376.638 2.323 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)Cc3c[nH+]cn3C)nc12 ZINC000564600212 651569703 /nfs/dbraw/zinc/56/97/03/651569703.db2.gz LJBFCQWJSUGYPW-UHFFFAOYSA-N 1 2 376.258 2.040 20 0 GEADLO Brc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)nn1 ZINC000644905424 651576839 /nfs/dbraw/zinc/57/68/39/651576839.db2.gz GLRBUOCFSQENJV-CQSZACIVSA-N 1 2 388.273 2.458 20 0 GEADLO Brc1ccccc1-n1cc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)nn1 ZINC000644905424 651576842 /nfs/dbraw/zinc/57/68/42/651576842.db2.gz GLRBUOCFSQENJV-CQSZACIVSA-N 1 2 388.273 2.458 20 0 GEADLO COc1ccsc1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000730056221 651588984 /nfs/dbraw/zinc/58/89/84/651588984.db2.gz SBMQJEZYYIOVJT-UHFFFAOYSA-N 1 2 380.491 2.319 20 0 GEADLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)CCCC2CCOCC2)C[C@H](C)O1 ZINC000645449453 651605945 /nfs/dbraw/zinc/60/59/45/651605945.db2.gz JSNFSLWOJAWJRI-IYBDPMFKSA-N 1 2 376.563 2.000 20 0 GEADLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)CCCC2CCOCC2)C[C@H](C)O1 ZINC000645449453 651605951 /nfs/dbraw/zinc/60/59/51/651605951.db2.gz JSNFSLWOJAWJRI-IYBDPMFKSA-N 1 2 376.563 2.000 20 0 GEADLO O=C(C[NH2+]Cc1cn(-c2ccccc2Br)nn1)NCc1ccco1 ZINC000566789882 651613084 /nfs/dbraw/zinc/61/30/84/651613084.db2.gz NUSAFDCXWIPMSR-UHFFFAOYSA-N 1 2 390.241 2.029 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=S)NCCc2ccc(Cl)cc2Cl)C1 ZINC000731947655 651639666 /nfs/dbraw/zinc/63/96/66/651639666.db2.gz IEMPBTRRMHPWDU-AWEZNQCLSA-N 1 2 375.369 2.246 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=S)NCCc2ccc(Cl)cc2Cl)C1 ZINC000731947655 651639672 /nfs/dbraw/zinc/63/96/72/651639672.db2.gz IEMPBTRRMHPWDU-AWEZNQCLSA-N 1 2 375.369 2.246 20 0 GEADLO Cn1cc(Br)c2ccc(S(=O)(=O)N3CCn4c[nH+]cc4C3)cc21 ZINC000645718400 651643098 /nfs/dbraw/zinc/64/30/98/651643098.db2.gz NIIPFXIRNSRQIO-UHFFFAOYSA-N 1 2 395.282 2.342 20 0 GEADLO C[C@@H](CC(=O)N1CCN(c2ccc(Br)cn2)CC1)n1cc[nH+]c1 ZINC000567997094 651643415 /nfs/dbraw/zinc/64/34/15/651643415.db2.gz ABIRIZPFWKVQHH-ZDUSSCGKSA-N 1 2 378.274 2.341 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccccc1Br)[C@@H]1CCc2c[nH+]cn2C1 ZINC000568094553 651650986 /nfs/dbraw/zinc/65/09/86/651650986.db2.gz JCENEXRPXNZNRU-UKRRQHHQSA-N 1 2 392.297 2.175 20 0 GEADLO C[C@@H](CC(=O)NCCNC(=O)c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000568096325 651651671 /nfs/dbraw/zinc/65/16/71/651651671.db2.gz XFGHBOHCLPHLRO-LBPRGKRZSA-N 1 2 379.258 2.143 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000732464487 651658533 /nfs/dbraw/zinc/65/85/33/651658533.db2.gz CFIPKJCXJPEQKY-XHDPSFHLSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000732464487 651658541 /nfs/dbraw/zinc/65/85/41/651658541.db2.gz CFIPKJCXJPEQKY-XHDPSFHLSA-N 1 2 376.284 2.047 20 0 GEADLO Cn1c[nH+]cc1CC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC000569081576 651699273 /nfs/dbraw/zinc/69/92/73/651699273.db2.gz CGLBQIMIBOZMCL-UHFFFAOYSA-N 1 2 397.248 2.340 20 0 GEADLO CCNS(=O)(=O)CC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000733328658 651702188 /nfs/dbraw/zinc/70/21/88/651702188.db2.gz XOHXREHKWBVOTD-UHFFFAOYSA-N 1 2 389.930 2.404 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611079219 651704481 /nfs/dbraw/zinc/70/44/81/651704481.db2.gz PIXSULRVOUPIPD-ZDUSSCGKSA-N 1 2 383.857 2.349 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)Nc2cc(C)[nH+]c3c2CCCC3)s1 ZINC000569483960 651716523 /nfs/dbraw/zinc/71/65/23/651716523.db2.gz DAZDEYIIQHOPIK-UHFFFAOYSA-N 1 2 379.507 2.189 20 0 GEADLO CN(C)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cn1 ZINC000647289136 651741661 /nfs/dbraw/zinc/74/16/61/651741661.db2.gz CVKRVKVDGSFFMB-MRXNPFEDSA-N 1 2 380.901 2.136 20 0 GEADLO CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000570078977 651745696 /nfs/dbraw/zinc/74/56/96/651745696.db2.gz GVSVIUWJQJGJLD-TZMCWYRMSA-N 1 2 388.559 2.031 20 0 GEADLO O=C([C@@H]1CCCS1(=O)=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000570107341 651747404 /nfs/dbraw/zinc/74/74/04/651747404.db2.gz RGFQPCQOPZYZJU-INIZCTEOSA-N 1 2 381.885 2.143 20 0 GEADLO NS(=O)(=O)C1CC[NH+](Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000648027628 651770572 /nfs/dbraw/zinc/77/05/72/651770572.db2.gz UQKSXCXPNGEQBS-UHFFFAOYSA-N 1 2 399.257 2.303 20 0 GEADLO Cc1cc(S(=O)(=O)NCC2([NH+]3CCOCC3)CCCCC2)cnc1Cl ZINC000735313369 651776557 /nfs/dbraw/zinc/77/65/57/651776557.db2.gz MJSZSTXEPZRBNM-UHFFFAOYSA-N 1 2 387.933 2.357 20 0 GEADLO C[C@@H](CC(=O)N1CCN(c2cccc[nH+]2)CC1)n1cc(Br)cn1 ZINC000648215537 651776943 /nfs/dbraw/zinc/77/69/43/651776943.db2.gz UIEWSVMJIIGHHK-ZDUSSCGKSA-N 1 2 378.274 2.341 20 0 GEADLO C[C@H](CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)n1cc(Br)cn1 ZINC000648335165 651779628 /nfs/dbraw/zinc/77/96/28/651779628.db2.gz IXUCINIXIUKENI-OCCSQVGLSA-N 1 2 378.274 2.387 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)C[C@@H]3CCC(=O)N3C)[nH+]c12 ZINC000613478135 651788039 /nfs/dbraw/zinc/78/80/39/651788039.db2.gz AWWFDXCJPKVVSO-AWEZNQCLSA-N 1 2 393.285 2.075 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000613954729 651804890 /nfs/dbraw/zinc/80/48/90/651804890.db2.gz RJYJRGZQHNQJCG-VXGBXAGGSA-N 1 2 384.299 2.369 20 0 GEADLO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Br)c(F)cc1O)CCO2 ZINC000649129222 651816601 /nfs/dbraw/zinc/81/66/01/651816601.db2.gz QACJCYJSNTUJIS-UHFFFAOYSA-N 1 2 387.249 2.231 20 0 GEADLO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000571208268 651817300 /nfs/dbraw/zinc/81/73/00/651817300.db2.gz MYYBBYMQIGDKSB-MNOVXSKESA-N 1 2 383.499 2.191 20 0 GEADLO C[C@H]1CN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC[S@](=O)C1 ZINC000571286375 651823279 /nfs/dbraw/zinc/82/32/79/651823279.db2.gz JTUNOEGMOVHLJW-CANCMXDXSA-N 1 2 380.901 2.436 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000614364951 651824151 /nfs/dbraw/zinc/82/41/51/651824151.db2.gz JAQXVVYODFFYMY-DOMZBBRYSA-N 1 2 392.253 2.239 20 0 GEADLO C[C@@H]1[C@H](C)[S@](=O)CCN1CCCCCC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000736628834 651829188 /nfs/dbraw/zinc/82/91/88/651829188.db2.gz KUHCYUPNKYHSHN-BIJSUVFWSA-N 1 2 376.632 2.229 20 0 GEADLO C[C@@H]1[C@H](C)[S@](=O)CCN1CCCCCC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000736628834 651829192 /nfs/dbraw/zinc/82/91/92/651829192.db2.gz KUHCYUPNKYHSHN-BIJSUVFWSA-N 1 2 376.632 2.229 20 0 GEADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCCCCCN1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000736628834 651829194 /nfs/dbraw/zinc/82/91/94/651829194.db2.gz KUHCYUPNKYHSHN-BIJSUVFWSA-N 1 2 376.632 2.229 20 0 GEADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCCCCCN1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000736628834 651829197 /nfs/dbraw/zinc/82/91/97/651829197.db2.gz KUHCYUPNKYHSHN-BIJSUVFWSA-N 1 2 376.632 2.229 20 0 GEADLO CC1(C)CN(CC[S@](=O)c2cc(Cl)ccc2Cl)CC[N@@H+]1CCO ZINC000614920177 651844904 /nfs/dbraw/zinc/84/49/04/651844904.db2.gz GFJRXKRDNHJBBE-QHCPKHFHSA-N 1 2 379.353 2.490 20 0 GEADLO CC1(C)CN(CC[S@](=O)c2cc(Cl)ccc2Cl)CC[N@H+]1CCO ZINC000614920177 651844908 /nfs/dbraw/zinc/84/49/08/651844908.db2.gz GFJRXKRDNHJBBE-QHCPKHFHSA-N 1 2 379.353 2.490 20 0 GEADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615127791 651850635 /nfs/dbraw/zinc/85/06/35/651850635.db2.gz SZKZCHGXYQJPQJ-GXTWGEPZSA-N 1 2 391.269 2.283 20 0 GEADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615128026 651851380 /nfs/dbraw/zinc/85/13/80/651851380.db2.gz LSEINEATBAEICM-SWLSCSKDSA-N 1 2 391.269 2.283 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)Cc1sccc1Br)C2 ZINC000571767463 651852511 /nfs/dbraw/zinc/85/25/11/651852511.db2.gz KFDHDUUUDYHZOE-NSHDSACASA-N 1 2 398.326 2.224 20 0 GEADLO C[NH+](C)[C@H](C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Cl)cc1 ZINC000571772770 651853052 /nfs/dbraw/zinc/85/30/52/651853052.db2.gz LQFJJDJIMCRBRT-STQMWFEESA-N 1 2 377.794 2.222 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615539701 651866218 /nfs/dbraw/zinc/86/62/18/651866218.db2.gz ZLDABMVIPQSJGW-ZDUSSCGKSA-N 1 2 398.301 2.098 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000615534753 651866325 /nfs/dbraw/zinc/86/63/25/651866325.db2.gz LOZHRQHQJMTOFM-MRXNPFEDSA-N 1 2 396.329 2.452 20 0 GEADLO O=C(COc1cccc(Br)c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615558038 651867515 /nfs/dbraw/zinc/86/75/15/651867515.db2.gz ZNNLGBBTTSQZQU-OAHLLOKOSA-N 1 2 383.286 2.151 20 0 GEADLO COC(=O)c1nn(CN2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1Br ZINC000738148279 651882343 /nfs/dbraw/zinc/88/23/43/651882343.db2.gz KGIXKSVHWMHYSE-GFCCVEGCSA-N 1 2 382.262 2.232 20 0 GEADLO O=C1C(=O)N(CN2CCC[C@@H](n3cc[nH+]c3)C2)c2cc(Br)ccc21 ZINC000738159089 651882842 /nfs/dbraw/zinc/88/28/42/651882842.db2.gz RALOHSHVPZZXAQ-CYBMUJFWSA-N 1 2 389.253 2.470 20 0 GEADLO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000651634061 651891363 /nfs/dbraw/zinc/89/13/63/651891363.db2.gz MXMJDGLJMOYQSZ-VXGBXAGGSA-N 1 2 399.365 2.416 20 0 GEADLO CO[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1Br ZINC000653501002 651945473 /nfs/dbraw/zinc/94/54/73/651945473.db2.gz RQYDGPRRKMFURN-HNNXBMFYSA-N 1 2 385.302 2.364 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000573339050 651948617 /nfs/dbraw/zinc/94/86/17/651948617.db2.gz BUONLBOESBQAJM-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000573339050 651948623 /nfs/dbraw/zinc/94/86/23/651948623.db2.gz BUONLBOESBQAJM-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000573507386 651961198 /nfs/dbraw/zinc/96/11/98/651961198.db2.gz ZODCPJGNJGFKSG-VIFPVBQESA-N 1 2 392.250 2.160 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000617721888 651966436 /nfs/dbraw/zinc/96/64/36/651966436.db2.gz VHFUVERZGABUHR-NEPJUHHUSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000617721888 651966441 /nfs/dbraw/zinc/96/64/41/651966441.db2.gz VHFUVERZGABUHR-NEPJUHHUSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cnc3ncc(Br)cc3c2)[C@H](C)CO1 ZINC000617725554 651967965 /nfs/dbraw/zinc/96/79/65/651967965.db2.gz LTAJEAXNNAQSEK-VXGBXAGGSA-N 1 2 393.285 2.231 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cnc3ncc(Br)cc3c2)[C@H](C)CO1 ZINC000617725554 651967976 /nfs/dbraw/zinc/96/79/76/651967976.db2.gz LTAJEAXNNAQSEK-VXGBXAGGSA-N 1 2 393.285 2.231 20 0 GEADLO C[C@H]1CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000742198142 651968433 /nfs/dbraw/zinc/96/84/33/651968433.db2.gz ZPNFYLQILMVNCC-WHEQGISXSA-N 1 2 387.343 2.499 20 0 GEADLO C[C@H]1CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000742198142 651968440 /nfs/dbraw/zinc/96/84/40/651968440.db2.gz ZPNFYLQILMVNCC-WHEQGISXSA-N 1 2 387.343 2.499 20 0 GEADLO C[C@@H](CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[NH+](C)C ZINC000617755343 651971139 /nfs/dbraw/zinc/97/11/39/651971139.db2.gz MKXCFJYIBRHSRE-LBPRGKRZSA-N 1 2 382.511 2.014 20 0 GEADLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2ccc(Br)cn2)c1C ZINC000742285552 651973228 /nfs/dbraw/zinc/97/32/28/651973228.db2.gz GQMRDSIZZXPMKD-UHFFFAOYSA-N 1 2 386.271 2.343 20 0 GEADLO CC1CC[NH+]([C@@H](CNC(=O)C[C@H]2SC(=N)NC2=O)c2cccs2)CC1 ZINC000742482190 651990023 /nfs/dbraw/zinc/99/00/23/651990023.db2.gz CXJZQBWSKAZQGP-GXTWGEPZSA-N 1 2 380.539 2.194 20 0 GEADLO C[C@H](CNS(=O)(=O)Cc1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655639470 652003194 /nfs/dbraw/zinc/00/31/94/652003194.db2.gz PAKKBDLVZZKGCJ-UPJWGTAASA-N 1 2 378.897 2.396 20 0 GEADLO C[C@H](CNS(=O)(=O)Cc1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655639470 652003200 /nfs/dbraw/zinc/00/32/00/652003200.db2.gz PAKKBDLVZZKGCJ-UPJWGTAASA-N 1 2 378.897 2.396 20 0 GEADLO Cc1c[nH+]c(CCNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c(C)c1 ZINC000656210840 652026278 /nfs/dbraw/zinc/02/62/78/652026278.db2.gz IPCAKVFEGGGDRN-UHFFFAOYSA-N 1 2 382.507 2.160 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000656251475 652027915 /nfs/dbraw/zinc/02/79/15/652027915.db2.gz HWJJFDZVHXSRSU-HNNXBMFYSA-N 1 2 382.917 2.348 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000656251475 652027926 /nfs/dbraw/zinc/02/79/26/652027926.db2.gz HWJJFDZVHXSRSU-HNNXBMFYSA-N 1 2 382.917 2.348 20 0 GEADLO O=C(N[C@H](CCO)c1ccccc1Br)[C@@H]1CCn2cc[nH+]c2C1 ZINC000574715627 652037915 /nfs/dbraw/zinc/03/79/15/652037915.db2.gz GHHCLMJWEMWDGQ-IUODEOHRSA-N 1 2 378.270 2.448 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000656681234 652045584 /nfs/dbraw/zinc/04/55/84/652045584.db2.gz CDDVRPUWBLOTFZ-NWDGAFQWSA-N 1 2 382.511 2.071 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@@H](C)C1 ZINC000656986668 652082279 /nfs/dbraw/zinc/08/22/79/652082279.db2.gz AQRIVHBFFZUXJO-NSHDSACASA-N 1 2 379.295 2.444 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@@H](C)C1 ZINC000656986668 652082284 /nfs/dbraw/zinc/08/22/84/652082284.db2.gz AQRIVHBFFZUXJO-NSHDSACASA-N 1 2 379.295 2.444 20 0 GEADLO Brc1ccc(CN(CCn2cc[nH+]c2)c2nccn3cnnc23)o1 ZINC000575876661 652083970 /nfs/dbraw/zinc/08/39/70/652083970.db2.gz FBJUNLDSZLKBJW-UHFFFAOYSA-N 1 2 388.229 2.383 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000657027935 652090743 /nfs/dbraw/zinc/09/07/43/652090743.db2.gz FGISBNSJFTXNNE-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000657027935 652090753 /nfs/dbraw/zinc/09/07/53/652090753.db2.gz FGISBNSJFTXNNE-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000657027908 652091046 /nfs/dbraw/zinc/09/10/46/652091046.db2.gz AOQZUSWAJYWQHE-ZDUSSCGKSA-N 1 2 388.917 2.222 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000657027908 652091052 /nfs/dbraw/zinc/09/10/52/652091052.db2.gz AOQZUSWAJYWQHE-ZDUSSCGKSA-N 1 2 388.917 2.222 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000576053121 652093300 /nfs/dbraw/zinc/09/33/00/652093300.db2.gz CWDJLHFDKXJZCE-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000576053121 652093305 /nfs/dbraw/zinc/09/33/05/652093305.db2.gz CWDJLHFDKXJZCE-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746465615 652108283 /nfs/dbraw/zinc/10/82/83/652108283.db2.gz YQSDLWHJAWTTPK-FNODVLLQSA-N 1 2 392.352 2.317 20 0 GEADLO COc1ccc(-c2nc(CN3CC[NH+](CC[S@](C)=O)CC3)cs2)cc1 ZINC000746472883 652109751 /nfs/dbraw/zinc/10/97/51/652109751.db2.gz HMUWSCWKQCMRNK-VWLOTQADSA-N 1 2 379.551 2.315 20 0 GEADLO COc1cc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc(OC)c1O ZINC000576387429 652112618 /nfs/dbraw/zinc/11/26/18/652112618.db2.gz QUBMHSVCRLMYNQ-HNNXBMFYSA-N 1 2 395.253 2.488 20 0 GEADLO CCn1cc([C@H]2C[S@](=O)CCN2Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000576447365 652119143 /nfs/dbraw/zinc/11/91/43/652119143.db2.gz YJYQBMHWUIFZID-CRICUBBOSA-N 1 2 375.523 2.456 20 0 GEADLO O=C(CSc1n[nH]c(=S)s1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000747353418 652158670 /nfs/dbraw/zinc/15/86/70/652158670.db2.gz SERNDWGYBGVVSN-UHFFFAOYSA-N 1 2 377.520 2.480 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)n1 ZINC000657448236 652164901 /nfs/dbraw/zinc/16/49/01/652164901.db2.gz JQZJQYQLVDIITJ-CYBMUJFWSA-N 1 2 382.306 2.131 20 0 GEADLO CN1CC[N@H+](C)C[C@H]1c1noc(Cc2ccc(I)cc2)n1 ZINC000577143897 652165067 /nfs/dbraw/zinc/16/50/67/652165067.db2.gz NQIYCPSZUVSYJS-ZDUSSCGKSA-N 1 2 398.248 2.183 20 0 GEADLO CN1CC[N@@H+](C)C[C@H]1c1noc(Cc2ccc(I)cc2)n1 ZINC000577143897 652165079 /nfs/dbraw/zinc/16/50/79/652165079.db2.gz NQIYCPSZUVSYJS-ZDUSSCGKSA-N 1 2 398.248 2.183 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc2c(cc1Br)OCO2 ZINC000622143595 652185518 /nfs/dbraw/zinc/18/55/18/652185518.db2.gz BNHHJLFMRRSHQO-MNOVXSKESA-N 1 2 385.258 2.017 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc2c(cc1Br)OCO2 ZINC000622143595 652185532 /nfs/dbraw/zinc/18/55/32/652185532.db2.gz BNHHJLFMRRSHQO-MNOVXSKESA-N 1 2 385.258 2.017 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000577598692 652199886 /nfs/dbraw/zinc/19/98/86/652199886.db2.gz XIAALKQKRVPTLY-CYBMUJFWSA-N 1 2 385.917 2.167 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(S(=O)(=O)NC)cs2)n1 ZINC000748701201 652212953 /nfs/dbraw/zinc/21/29/53/652212953.db2.gz WXMCQYDKOLZMCK-UHFFFAOYSA-N 1 2 388.540 2.207 20 0 GEADLO Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000658004329 652229063 /nfs/dbraw/zinc/22/90/63/652229063.db2.gz XZLPLIHEYAJLOM-UHFFFAOYSA-N 1 2 399.676 2.442 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)NCCNc2cccc[nH+]2)ccc1Br ZINC000749266025 652243143 /nfs/dbraw/zinc/24/31/43/652243143.db2.gz SVDCVIMKGSSROI-UHFFFAOYSA-N 1 2 398.282 2.090 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NCc2nc(C(N)=O)cs2)c2ccc(Cl)cc2)C1 ZINC000658233224 652245292 /nfs/dbraw/zinc/24/52/92/652245292.db2.gz PFIACNWYBLUJPX-GOEBONIOSA-N 1 2 380.901 2.057 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NCc2nc(C(N)=O)cs2)c2ccc(Cl)cc2)C1 ZINC000658233224 652245303 /nfs/dbraw/zinc/24/53/03/652245303.db2.gz PFIACNWYBLUJPX-GOEBONIOSA-N 1 2 380.901 2.057 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)CCCn1cc[nH+]c1 ZINC000623616829 652249470 /nfs/dbraw/zinc/24/94/70/652249470.db2.gz AVLLIMQTAOGMQS-UHFFFAOYSA-N 1 2 379.258 2.489 20 0 GEADLO COc1ccc(Br)cc1CNC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578618489 652283220 /nfs/dbraw/zinc/28/32/20/652283220.db2.gz BLKYVRJGWAWTHG-DVOMOZLQSA-N 1 2 387.318 2.017 20 0 GEADLO COc1ccc(Br)cc1CNC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578618489 652283224 /nfs/dbraw/zinc/28/32/24/652283224.db2.gz BLKYVRJGWAWTHG-DVOMOZLQSA-N 1 2 387.318 2.017 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)C[C@H](C)O1 ZINC000578777502 652293405 /nfs/dbraw/zinc/29/34/05/652293405.db2.gz LVGZDYCZBPYJMR-JSSFPYSZSA-N 1 2 398.345 2.451 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)C[C@H](C)O1 ZINC000578777502 652293411 /nfs/dbraw/zinc/29/34/11/652293411.db2.gz LVGZDYCZBPYJMR-JSSFPYSZSA-N 1 2 398.345 2.451 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000750621431 652301751 /nfs/dbraw/zinc/30/17/51/652301751.db2.gz GHJAMFWXRBSMNN-FTJNGKRUSA-N 1 2 379.404 2.156 20 0 GEADLO Cc1cc(Br)c(F)cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000624787837 652303339 /nfs/dbraw/zinc/30/33/39/652303339.db2.gz RVLZGEVWNPKCHR-UHFFFAOYSA-N 1 2 376.251 2.462 20 0 GEADLO O=S(=O)(CCOCC(F)(F)F)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000579174909 652322014 /nfs/dbraw/zinc/32/20/14/652322014.db2.gz JIDQZYZBGFOUOD-UHFFFAOYSA-N 1 2 381.351 2.010 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CCSC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000579196550 652323625 /nfs/dbraw/zinc/32/36/25/652323625.db2.gz MAIRRRJQGJRBQY-XYJFISCASA-N 1 2 388.599 2.020 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCC[C@@]2(CCSC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000579196550 652323633 /nfs/dbraw/zinc/32/36/33/652323633.db2.gz MAIRRRJQGJRBQY-XYJFISCASA-N 1 2 388.599 2.020 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000579230524 652327387 /nfs/dbraw/zinc/32/73/87/652327387.db2.gz NSMQKZBQLYPBJW-CYBMUJFWSA-N 1 2 383.258 2.219 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000579238735 652327783 /nfs/dbraw/zinc/32/77/83/652327783.db2.gz VGLNFICVCASPAI-GFCCVEGCSA-N 1 2 387.221 2.049 20 0 GEADLO CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000625192371 652330313 /nfs/dbraw/zinc/33/03/13/652330313.db2.gz TVXSXMYXRMJHKE-OAHLLOKOSA-N 1 2 382.517 2.432 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000625264918 652336858 /nfs/dbraw/zinc/33/68/58/652336858.db2.gz SRDQBJMUUCFCCR-QQDQCYIDSA-N 1 2 379.298 2.172 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000625264918 652336861 /nfs/dbraw/zinc/33/68/61/652336861.db2.gz SRDQBJMUUCFCCR-QQDQCYIDSA-N 1 2 379.298 2.172 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)s2)C1 ZINC000579894080 652359663 /nfs/dbraw/zinc/35/96/63/652359663.db2.gz JPTLWMLLJKMGCG-SNVBAGLBSA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Br)s2)C1 ZINC000579894080 652359667 /nfs/dbraw/zinc/35/96/67/652359667.db2.gz JPTLWMLLJKMGCG-SNVBAGLBSA-N 1 2 375.288 2.125 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccccc1SC(F)F ZINC000751539899 652359805 /nfs/dbraw/zinc/35/98/05/652359805.db2.gz KOQMLSGTBLYYGL-LBPRGKRZSA-N 1 2 375.441 2.158 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000579979560 652362132 /nfs/dbraw/zinc/36/21/32/652362132.db2.gz KFLFFMAQOPCKQZ-UHFFFAOYSA-N 1 2 388.287 2.104 20 0 GEADLO CCc1nc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)cn1CC1CC1 ZINC000659886417 652369339 /nfs/dbraw/zinc/36/93/39/652369339.db2.gz CXBKPUTUPMVDJP-OAHLLOKOSA-N 1 2 382.555 2.498 20 0 GEADLO C[C@@H](CC(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1)n1cc[nH+]c1 ZINC000580197042 652370345 /nfs/dbraw/zinc/37/03/45/652370345.db2.gz OSSQYVGCAWOOCI-NHYWBVRUSA-N 1 2 379.258 2.282 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cnc3ccsc3c2)CC1 ZINC000580330215 652376128 /nfs/dbraw/zinc/37/61/28/652376128.db2.gz CJTAPXTZQGBQCG-ZDUSSCGKSA-N 1 2 381.523 2.170 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cnc3ccsc3c2)CC1 ZINC000580330215 652376132 /nfs/dbraw/zinc/37/61/32/652376132.db2.gz CJTAPXTZQGBQCG-ZDUSSCGKSA-N 1 2 381.523 2.170 20 0 GEADLO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626005174 652379265 /nfs/dbraw/zinc/37/92/65/652379265.db2.gz XJWZVOOYTGDPRQ-KGLIPLIRSA-N 1 2 380.229 2.388 20 0 GEADLO O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626005174 652379269 /nfs/dbraw/zinc/37/92/69/652379269.db2.gz XJWZVOOYTGDPRQ-KGLIPLIRSA-N 1 2 380.229 2.388 20 0 GEADLO CCN1OC[C@H]([NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)C1=O ZINC000660060298 652381198 /nfs/dbraw/zinc/38/11/98/652381198.db2.gz YAYJOBISDPBFRO-HNNXBMFYSA-N 1 2 396.285 2.262 20 0 GEADLO CO[C@H](C[NH+]1CCN(S(=O)(=O)c2csc(C)n2)CC1)C1CCCCC1 ZINC000660063756 652381932 /nfs/dbraw/zinc/38/19/32/652381932.db2.gz GTZWRMZCYPWVNR-MRXNPFEDSA-N 1 2 387.571 2.353 20 0 GEADLO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000626082531 652381953 /nfs/dbraw/zinc/38/19/53/652381953.db2.gz ZYFNCLDXSAYJQP-LGRHPFTQSA-N 1 2 391.309 2.268 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000626168840 652383473 /nfs/dbraw/zinc/38/34/73/652383473.db2.gz AKFHTRGNCUCIGL-ZIAGYGMSSA-N 1 2 387.933 2.237 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000626168840 652383474 /nfs/dbraw/zinc/38/34/74/652383474.db2.gz AKFHTRGNCUCIGL-ZIAGYGMSSA-N 1 2 387.933 2.237 20 0 GEADLO C[C@@H]1C[NH+](CCN2CCNC(=O)[C@@H]2c2ccccc2Br)C[C@@H](C)O1 ZINC000660162069 652391847 /nfs/dbraw/zinc/39/18/47/652391847.db2.gz RSZZNDITQQTROO-CPUCHLNUSA-N 1 2 396.329 2.031 20 0 GEADLO C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000752941067 652396746 /nfs/dbraw/zinc/39/67/46/652396746.db2.gz NPRBVPJRLWHLLG-WQGACYEGSA-N 1 2 390.311 2.435 20 0 GEADLO C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000752941067 652396749 /nfs/dbraw/zinc/39/67/49/652396749.db2.gz NPRBVPJRLWHLLG-WQGACYEGSA-N 1 2 390.311 2.435 20 0 GEADLO O=C(NCc1cc(F)ccc1Br)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660368366 652399872 /nfs/dbraw/zinc/39/98/72/652399872.db2.gz ZMECVYRTHOMCFV-AWEZNQCLSA-N 1 2 386.265 2.204 20 0 GEADLO COC[C@@H]1C[C@H](OC)C[N@@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660507051 652404960 /nfs/dbraw/zinc/40/49/60/652404960.db2.gz RXOVEBNCSYNAHN-RYUDHWBXSA-N 1 2 382.258 2.244 20 0 GEADLO COC[C@@H]1C[C@H](OC)C[N@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660507051 652404961 /nfs/dbraw/zinc/40/49/61/652404961.db2.gz RXOVEBNCSYNAHN-RYUDHWBXSA-N 1 2 382.258 2.244 20 0 GEADLO COc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000660534300 652406029 /nfs/dbraw/zinc/40/60/29/652406029.db2.gz GDQRRPCYJXTULD-CQSZACIVSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@H](OC[C@H](O)C[NH+]1CCN(c2ncns2)CC1)c1ccc(Cl)cc1 ZINC000660709818 652411560 /nfs/dbraw/zinc/41/15/60/652411560.db2.gz AAGCENQTNQYZSX-XJKSGUPXSA-N 1 2 382.917 2.452 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N2CCN(c3ccc(Br)cc3)CC2)c1 ZINC000661303046 652426515 /nfs/dbraw/zinc/42/65/15/652426515.db2.gz GSLXPBIAJUUADG-UHFFFAOYSA-N 1 2 392.301 2.257 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCc3ccon3)[nH+]c12 ZINC000754219814 652430168 /nfs/dbraw/zinc/43/01/68/652430168.db2.gz WMIWUGNFFRVWLR-UHFFFAOYSA-N 1 2 378.230 2.435 20 0 GEADLO O=C(c1[nH]nc(C2CC2)c1Br)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000582015174 652432049 /nfs/dbraw/zinc/43/20/49/652432049.db2.gz XQOWPEFYOKZAGG-GFCCVEGCSA-N 1 2 376.258 2.231 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000582039448 652432617 /nfs/dbraw/zinc/43/26/17/652432617.db2.gz FHCIORWTAARKAM-IVMMDQJWSA-N 1 2 382.302 2.325 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000661603641 652434966 /nfs/dbraw/zinc/43/49/66/652434966.db2.gz XQXHFFZWOIVBNL-MFKMUULPSA-N 1 2 384.249 2.127 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000661603641 652434967 /nfs/dbraw/zinc/43/49/67/652434967.db2.gz XQXHFFZWOIVBNL-MFKMUULPSA-N 1 2 384.249 2.127 20 0 GEADLO Cn1cc(C[N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000661746868 652439128 /nfs/dbraw/zinc/43/91/28/652439128.db2.gz HYDPGCQUDMZDEI-GFCCVEGCSA-N 1 2 389.681 2.103 20 0 GEADLO Cn1cc(C[N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Br)nn1 ZINC000661746868 652439133 /nfs/dbraw/zinc/43/91/33/652439133.db2.gz HYDPGCQUDMZDEI-GFCCVEGCSA-N 1 2 389.681 2.103 20 0 GEADLO COc1ccc2nc(C[N@@H+]3CCC[C@@H](N4CCCS4(=O)=O)C3)sc2c1 ZINC000582524357 652453749 /nfs/dbraw/zinc/45/37/49/652453749.db2.gz BKCBDCPVAQBXCE-CYBMUJFWSA-N 1 2 381.523 2.305 20 0 GEADLO COc1ccc2nc(C[N@H+]3CCC[C@@H](N4CCCS4(=O)=O)C3)sc2c1 ZINC000582524357 652453752 /nfs/dbraw/zinc/45/37/52/652453752.db2.gz BKCBDCPVAQBXCE-CYBMUJFWSA-N 1 2 381.523 2.305 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000628578436 652463657 /nfs/dbraw/zinc/46/36/57/652463657.db2.gz JVPCHCLQKMDZGN-SFHVURJKSA-N 1 2 387.307 2.268 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000628578436 652463658 /nfs/dbraw/zinc/46/36/58/652463658.db2.gz JVPCHCLQKMDZGN-SFHVURJKSA-N 1 2 387.307 2.268 20 0 GEADLO COCC(C)(C)[NH+]1CCN(C(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000662522234 652466142 /nfs/dbraw/zinc/46/61/42/652466142.db2.gz RDBAFZHETWAMQD-HNNXBMFYSA-N 1 2 384.318 2.018 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ncsc2Br)cn1 ZINC000583213406 652477326 /nfs/dbraw/zinc/47/73/26/652477326.db2.gz GNMRKJBMSFGLDG-UHFFFAOYSA-N 1 2 395.286 2.178 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000583685361 652494215 /nfs/dbraw/zinc/49/42/15/652494215.db2.gz WQPJEGUWUJSVIA-XJKSGUPXSA-N 1 2 387.933 2.067 20 0 GEADLO Cc1nc(NCCS(=O)(=O)NCc2ccccc2)c(Br)c(C)[nH+]1 ZINC000663391113 652496582 /nfs/dbraw/zinc/49/65/82/652496582.db2.gz LVGJGEWKPTXITP-UHFFFAOYSA-N 1 2 399.314 2.387 20 0 GEADLO COc1cc(CNc2nc(C)[nH+]c(C)c2Br)ccc1OCC(N)=O ZINC000663398716 652496903 /nfs/dbraw/zinc/49/69/03/652496903.db2.gz YWTOPSDKPCBHEP-UHFFFAOYSA-N 1 2 395.257 2.341 20 0 GEADLO C[C@@H]1CC[C@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CS1(=O)=O ZINC000663450683 652500992 /nfs/dbraw/zinc/50/09/92/652500992.db2.gz LICYBQIMRBCMBT-QLFBSQMISA-N 1 2 385.555 2.150 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000756971498 652510218 /nfs/dbraw/zinc/51/02/18/652510218.db2.gz BGALKGJZMKOEAY-AWEZNQCLSA-N 1 2 376.869 2.453 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000756971498 652510220 /nfs/dbraw/zinc/51/02/20/652510220.db2.gz BGALKGJZMKOEAY-AWEZNQCLSA-N 1 2 376.869 2.453 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000630743267 652514379 /nfs/dbraw/zinc/51/43/79/652514379.db2.gz MVVQTFJGOKFIFE-KLWIRTJPSA-N 1 2 379.298 2.172 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)ccc1Cl ZINC000757498277 652517954 /nfs/dbraw/zinc/51/79/54/652517954.db2.gz YJKZNTQFGHNFFI-UHFFFAOYSA-N 1 2 383.857 2.413 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)C[C@@H](C)O1 ZINC000584385977 652519300 /nfs/dbraw/zinc/51/93/00/652519300.db2.gz ZVHISPCJAKWPQU-BRXULGCHSA-N 1 2 377.312 2.087 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCCc2ccc(Br)cc2)[C@@H](C)CO1 ZINC000664153898 652521414 /nfs/dbraw/zinc/52/14/14/652521414.db2.gz XRKNVOJREITCJT-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCc2ccc(Br)cc2)[C@@H](C)CO1 ZINC000664153898 652521418 /nfs/dbraw/zinc/52/14/18/652521418.db2.gz XRKNVOJREITCJT-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccc(Br)cc2)[C@@H](C)CO1 ZINC000664153900 652521535 /nfs/dbraw/zinc/52/15/35/652521535.db2.gz XRKNVOJREITCJT-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccc(Br)cc2)[C@@H](C)CO1 ZINC000664153900 652521540 /nfs/dbraw/zinc/52/15/40/652521540.db2.gz XRKNVOJREITCJT-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO Cc1ccc(S(N)(=O)=O)c(NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000631504929 652525894 /nfs/dbraw/zinc/52/58/94/652525894.db2.gz JKGTUVLKWRCYBP-UHFFFAOYSA-N 1 2 378.523 2.203 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=S)NC[C@@H]3CCOC3)[nH+]c12 ZINC000757941852 652526234 /nfs/dbraw/zinc/52/62/34/652526234.db2.gz XCGFHIDAIFTHBE-LBPRGKRZSA-N 1 2 397.342 2.448 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)Cc2ncc(I)s2)C[C@H](C)O1 ZINC000584865987 652532271 /nfs/dbraw/zinc/53/22/71/652532271.db2.gz LDPCPBOZNWHODZ-PHIMTYICSA-N 1 2 395.310 2.289 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)Cc2ncc(I)s2)C[C@H](C)O1 ZINC000584865987 652532275 /nfs/dbraw/zinc/53/22/75/652532275.db2.gz LDPCPBOZNWHODZ-PHIMTYICSA-N 1 2 395.310 2.289 20 0 GEADLO C[C@H](NS(=O)(=O)C[C@H]1CCC(F)(F)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000632086694 652550473 /nfs/dbraw/zinc/55/04/73/652550473.db2.gz RGIIGSPYJGXXJW-GJZGRUSLSA-N 1 2 380.501 2.375 20 0 GEADLO Cc1nnc(CC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)s1 ZINC000665398311 652551911 /nfs/dbraw/zinc/55/19/11/652551911.db2.gz FEYFESJLZPWYDQ-UHFFFAOYSA-N 1 2 380.901 2.266 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000633092465 652585625 /nfs/dbraw/zinc/58/56/25/652585625.db2.gz OCRUVIQLMMNWJF-IPALMDDQSA-N 1 2 394.313 2.107 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000633092465 652585629 /nfs/dbraw/zinc/58/56/29/652585629.db2.gz OCRUVIQLMMNWJF-IPALMDDQSA-N 1 2 394.313 2.107 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000592199526 652591012 /nfs/dbraw/zinc/59/10/12/652591012.db2.gz RAWLDEWJKOVLQD-JSGCOSHPSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000592199526 652591013 /nfs/dbraw/zinc/59/10/13/652591013.db2.gz RAWLDEWJKOVLQD-JSGCOSHPSA-N 1 2 395.253 2.460 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000759952398 652592225 /nfs/dbraw/zinc/59/22/25/652592225.db2.gz FGCAQGPXBHQVPW-CYBMUJFWSA-N 1 2 383.290 2.481 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000592532045 652599253 /nfs/dbraw/zinc/59/92/53/652599253.db2.gz MBTVCFQTBWEEPV-MNOVXSKESA-N 1 2 394.212 2.406 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000592532045 652599256 /nfs/dbraw/zinc/59/92/56/652599256.db2.gz MBTVCFQTBWEEPV-MNOVXSKESA-N 1 2 394.212 2.406 20 0 GEADLO O=C(c1cccc(Br)c1O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000592832930 652603863 /nfs/dbraw/zinc/60/38/63/652603863.db2.gz RIRDBVZTRPIMDB-ZDUSSCGKSA-N 1 2 383.286 2.482 20 0 GEADLO O=C(c1cccc(Br)c1O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000592832930 652603866 /nfs/dbraw/zinc/60/38/66/652603866.db2.gz RIRDBVZTRPIMDB-ZDUSSCGKSA-N 1 2 383.286 2.482 20 0 GEADLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000667483945 652607313 /nfs/dbraw/zinc/60/73/13/652607313.db2.gz WPRZWVAWRSUQAI-SNVBAGLBSA-N 1 2 376.404 2.279 20 0 GEADLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000667483945 652607319 /nfs/dbraw/zinc/60/73/19/652607319.db2.gz WPRZWVAWRSUQAI-SNVBAGLBSA-N 1 2 376.404 2.279 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)CCCS(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000633766837 652612320 /nfs/dbraw/zinc/61/23/20/652612320.db2.gz REIKSBOTWBBSST-AWEZNQCLSA-N 1 2 380.432 2.249 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000633767634 652612590 /nfs/dbraw/zinc/61/25/90/652612590.db2.gz WADGBWMMAVSBQK-ZIAGYGMSSA-N 1 2 378.416 2.002 20 0 GEADLO O=C(c1cc(Br)c[nH]c1=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633898464 652619177 /nfs/dbraw/zinc/61/91/77/652619177.db2.gz IUSQAOXXDMCEQY-UHFFFAOYSA-N 1 2 392.253 2.213 20 0 GEADLO O=C(CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1cncc(Br)c1 ZINC000633931757 652621786 /nfs/dbraw/zinc/62/17/86/652621786.db2.gz LHXNGCRJGDRKDY-UHFFFAOYSA-N 1 2 393.241 2.041 20 0 GEADLO Cc1c(Br)cncc1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000668237785 652634636 /nfs/dbraw/zinc/63/46/36/652634636.db2.gz YOBGUSNJERECKL-UHFFFAOYSA-N 1 2 388.331 2.152 20 0 GEADLO O[C@H](C[N@@H+]1CCc2sc(Br)cc2C1)CC1(O)CCOCC1 ZINC000634646379 652646646 /nfs/dbraw/zinc/64/66/46/652646646.db2.gz CNRXEFOEJKZMRW-LBPRGKRZSA-N 1 2 376.316 2.161 20 0 GEADLO O[C@H](C[N@H+]1CCc2sc(Br)cc2C1)CC1(O)CCOCC1 ZINC000634646379 652646654 /nfs/dbraw/zinc/64/66/54/652646654.db2.gz CNRXEFOEJKZMRW-LBPRGKRZSA-N 1 2 376.316 2.161 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1O ZINC000668688719 652659909 /nfs/dbraw/zinc/65/99/09/652659909.db2.gz PJJHXJARTUVTSV-LBPRGKRZSA-N 1 2 386.290 2.351 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1O ZINC000668688719 652659917 /nfs/dbraw/zinc/65/99/17/652659917.db2.gz PJJHXJARTUVTSV-LBPRGKRZSA-N 1 2 386.290 2.351 20 0 GEADLO Cc1cccn2cc(Cc3noc(CS[C@@H]4CCS(=O)(=O)C4)n3)[nH+]c12 ZINC000761891768 652660056 /nfs/dbraw/zinc/66/00/56/652660056.db2.gz SMWAILGIKIEUGQ-CYBMUJFWSA-N 1 2 378.479 2.037 20 0 GEADLO CN(C)c1cc(Cn2ncc(Br)c(Br)c2=O)cc[nH+]1 ZINC000762466551 652692807 /nfs/dbraw/zinc/69/28/07/652692807.db2.gz HZPKSYVKLZCDHG-UHFFFAOYSA-N 1 2 388.063 2.278 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595397895 652721183 /nfs/dbraw/zinc/72/11/83/652721183.db2.gz YJVQKSUKRXBAFC-AWEZNQCLSA-N 1 2 380.491 2.088 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000595397895 652721185 /nfs/dbraw/zinc/72/11/85/652721185.db2.gz YJVQKSUKRXBAFC-AWEZNQCLSA-N 1 2 380.491 2.088 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000669843308 652722019 /nfs/dbraw/zinc/72/20/19/652722019.db2.gz VFDVDRWOCGAXFT-CQSZACIVSA-N 1 2 388.917 2.082 20 0 GEADLO COC(=O)CCN1CCC[C@H]([N@@H+]2CCc3ccc(Br)cc3C2)C1=O ZINC000595474793 652729735 /nfs/dbraw/zinc/72/97/35/652729735.db2.gz GGISBZWCYOAYOM-INIZCTEOSA-N 1 2 395.297 2.361 20 0 GEADLO COC(=O)CCN1CCC[C@H]([N@H+]2CCc3ccc(Br)cc3C2)C1=O ZINC000595474793 652729739 /nfs/dbraw/zinc/72/97/39/652729739.db2.gz GGISBZWCYOAYOM-INIZCTEOSA-N 1 2 395.297 2.361 20 0 GEADLO COC(=O)[C@H](c1ccccc1Br)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000595494700 652730875 /nfs/dbraw/zinc/73/08/75/652730875.db2.gz ZVWAEIBTZFVEDW-CPUCHLNUSA-N 1 2 397.313 2.458 20 0 GEADLO C[C@H](C(=O)Nc1ccc(I)cc1)N1CCn2c[nH+]cc2C1 ZINC000595492591 652731188 /nfs/dbraw/zinc/73/11/88/652731188.db2.gz XICVGHPPXACBBL-LLVKDONJSA-N 1 2 396.232 2.331 20 0 GEADLO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl)C(=O)OC ZINC000595831238 652737438 /nfs/dbraw/zinc/73/74/38/652737438.db2.gz ZIXSLUJAMHIDCE-OWRWGESLSA-N 1 2 391.295 2.320 20 0 GEADLO C[NH+](C)CC1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1 ZINC000635647313 652745411 /nfs/dbraw/zinc/74/54/11/652745411.db2.gz HIAGJFSRPINXCL-UHFFFAOYSA-N 1 2 380.495 2.224 20 0 GEADLO O=C(CCSc1ccccc1Br)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670406157 652745493 /nfs/dbraw/zinc/74/54/93/652745493.db2.gz IGFQTQXQNIZGSK-CQSZACIVSA-N 1 2 398.370 2.437 20 0 GEADLO O=C(CCSc1ccccc1Br)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670406157 652745498 /nfs/dbraw/zinc/74/54/98/652745498.db2.gz IGFQTQXQNIZGSK-CQSZACIVSA-N 1 2 398.370 2.437 20 0 GEADLO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635855755 652759764 /nfs/dbraw/zinc/75/97/64/652759764.db2.gz QZIABNAPFQOOAO-BPLDGKMQSA-N 1 2 378.270 2.243 20 0 GEADLO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635855755 652759770 /nfs/dbraw/zinc/75/97/70/652759770.db2.gz QZIABNAPFQOOAO-BPLDGKMQSA-N 1 2 378.270 2.243 20 0 GEADLO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635855756 652759827 /nfs/dbraw/zinc/75/98/27/652759827.db2.gz QZIABNAPFQOOAO-NWANDNLSSA-N 1 2 378.270 2.243 20 0 GEADLO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635855756 652759832 /nfs/dbraw/zinc/75/98/32/652759832.db2.gz QZIABNAPFQOOAO-NWANDNLSSA-N 1 2 378.270 2.243 20 0 GEADLO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000763559883 652761479 /nfs/dbraw/zinc/76/14/79/652761479.db2.gz HMJBGZHGLTVWTO-MYYSRTQBSA-N 1 2 393.336 2.204 20 0 GEADLO CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635955403 652768049 /nfs/dbraw/zinc/76/80/49/652768049.db2.gz VYFQTLIFRXVHGT-QWHCGFSZSA-N 1 2 381.420 2.192 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763673105 652768925 /nfs/dbraw/zinc/76/89/25/652768925.db2.gz DFLDBHILRMVJSU-HNNXBMFYSA-N 1 2 393.281 2.303 20 0 GEADLO CC[N@H+](CC(=O)NCc1nc(C)c(C(N)=O)s1)Cc1ccccc1Cl ZINC000636158828 652783152 /nfs/dbraw/zinc/78/31/52/652783152.db2.gz GDCWPIBRXQXQBC-UHFFFAOYSA-N 1 2 380.901 2.342 20 0 GEADLO CC[N@@H+](CC(=O)NCc1nc(C)c(C(N)=O)s1)Cc1ccccc1Cl ZINC000636158828 652783155 /nfs/dbraw/zinc/78/31/55/652783155.db2.gz GDCWPIBRXQXQBC-UHFFFAOYSA-N 1 2 380.901 2.342 20 0 GEADLO Cc1sc(Br)nc1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000764057769 652783531 /nfs/dbraw/zinc/78/35/31/652783531.db2.gz XVDIWWNZVHPMHX-NSHDSACASA-N 1 2 376.320 2.301 20 0 GEADLO O=C(N[C@@]1(CO)CCc2cc(Br)ccc2C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636255401 652790795 /nfs/dbraw/zinc/79/07/95/652790795.db2.gz HPXJXOWETUCCLA-RKVPGOIHSA-N 1 2 390.281 2.312 20 0 GEADLO O=C(N[C@@]1(CO)CCc2cc(Br)ccc2C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636255401 652790800 /nfs/dbraw/zinc/79/08/00/652790800.db2.gz HPXJXOWETUCCLA-RKVPGOIHSA-N 1 2 390.281 2.312 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1Br ZINC000598188739 652804261 /nfs/dbraw/zinc/80/42/61/652804261.db2.gz ZGQVWLNXSRVMJM-XHDPSFHLSA-N 1 2 392.253 2.239 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(Br)c(C)n(C)c2=O)c1C ZINC000764803680 652812608 /nfs/dbraw/zinc/81/26/08/652812608.db2.gz FOCUPPFFPBBAKB-UHFFFAOYSA-N 1 2 394.269 2.407 20 0 GEADLO O=C([C@@H]1CCC[N@@H+](Cn2ncc(Br)c2C2CC2)C1)N1CCOCC1 ZINC000764863170 652813980 /nfs/dbraw/zinc/81/39/80/652813980.db2.gz AZUNUDABEBEBSE-CQSZACIVSA-N 1 2 397.317 2.051 20 0 GEADLO O=C([C@@H]1CCC[N@H+](Cn2ncc(Br)c2C2CC2)C1)N1CCOCC1 ZINC000764863170 652813982 /nfs/dbraw/zinc/81/39/82/652813982.db2.gz AZUNUDABEBEBSE-CQSZACIVSA-N 1 2 397.317 2.051 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000764919450 652815469 /nfs/dbraw/zinc/81/54/69/652815469.db2.gz GCJGKDPDCQGPBU-OCCSQVGLSA-N 1 2 399.333 2.344 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000764919450 652815472 /nfs/dbraw/zinc/81/54/72/652815472.db2.gz GCJGKDPDCQGPBU-OCCSQVGLSA-N 1 2 399.333 2.344 20 0 GEADLO C[C@H](CS(C)(=O)=O)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636783533 652822859 /nfs/dbraw/zinc/82/28/59/652822859.db2.gz DBMBEOPISYKJMX-YGRLFVJLSA-N 1 2 396.340 2.328 20 0 GEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000672149128 652828365 /nfs/dbraw/zinc/82/83/65/652828365.db2.gz GPWXJTJPHYWNDO-CQSZACIVSA-N 1 2 388.265 2.378 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(I)cc1F ZINC000598947180 652841570 /nfs/dbraw/zinc/84/15/70/652841570.db2.gz JZVQJEAZYMGWIA-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1(c2ccc(I)cc2)CC1 ZINC000598947576 652841667 /nfs/dbraw/zinc/84/16/67/652841667.db2.gz NWDSXEJXUBYPOX-ZDUSSCGKSA-N 1 2 393.228 2.260 20 0 GEADLO O=C(Cc1ccc(I)cc1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598949947 652842362 /nfs/dbraw/zinc/84/23/62/652842362.db2.gz XQTYQVSNVXHEKL-ZDUSSCGKSA-N 1 2 381.217 2.161 20 0 GEADLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(SCCC(N)=O)c2c1C ZINC000599195465 652853371 /nfs/dbraw/zinc/85/33/71/652853371.db2.gz RAPCRWKLHCHSSS-UHFFFAOYSA-N 1 2 382.511 2.206 20 0 GEADLO C[C@@H]1CSC(SCC(=O)NCc2ccccc2C[NH+]2CCOCC2)=N1 ZINC000766293967 652874778 /nfs/dbraw/zinc/87/47/78/652874778.db2.gz ONSDGYGABRRFAZ-CQSZACIVSA-N 1 2 379.551 2.360 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)s1 ZINC000637982199 652880041 /nfs/dbraw/zinc/88/00/41/652880041.db2.gz AMNVHVCMWTXEIJ-UHFFFAOYSA-N 1 2 385.555 2.056 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)[C@@H]2CCC[C@@H]21 ZINC000599651665 652881974 /nfs/dbraw/zinc/88/19/74/652881974.db2.gz ZTFUORBTNLGFQD-RBSFLKMASA-N 1 2 386.539 2.162 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)[C@@H]2CCC[C@@H]21 ZINC000599651665 652881979 /nfs/dbraw/zinc/88/19/79/652881979.db2.gz ZTFUORBTNLGFQD-RBSFLKMASA-N 1 2 386.539 2.162 20 0 GEADLO CCNC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000674276856 652892250 /nfs/dbraw/zinc/89/22/50/652892250.db2.gz KIYQEJZSLBJGLA-GFCCVEGCSA-N 1 2 376.284 2.080 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)s1 ZINC000674333286 652895047 /nfs/dbraw/zinc/89/50/47/652895047.db2.gz UMJTWTBLBFWUPV-NSHDSACASA-N 1 2 382.511 2.231 20 0 GEADLO Cn1cc(N2CC[C@H]([NH2+]Cc3nc4cc(Br)ccc4o3)C2=O)cn1 ZINC000638638336 652900513 /nfs/dbraw/zinc/90/05/13/652900513.db2.gz CEWJVUSDEGCXHX-LBPRGKRZSA-N 1 2 390.241 2.219 20 0 GEADLO Cn1cc(N2CC[C@@H]([NH2+]Cc3nc4cc(Br)ccc4o3)C2=O)cn1 ZINC000638638331 652900541 /nfs/dbraw/zinc/90/05/41/652900541.db2.gz CEWJVUSDEGCXHX-GFCCVEGCSA-N 1 2 390.241 2.219 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2c(Br)cc(OC)cc2OC)C1 ZINC000600192536 652907490 /nfs/dbraw/zinc/90/74/90/652907490.db2.gz QKZKXLQMRUPUEE-MRXNPFEDSA-N 1 2 388.258 2.230 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2c(Br)cc(OC)cc2OC)C1 ZINC000600192536 652907492 /nfs/dbraw/zinc/90/74/92/652907492.db2.gz QKZKXLQMRUPUEE-MRXNPFEDSA-N 1 2 388.258 2.230 20 0 GEADLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000675146026 652917754 /nfs/dbraw/zinc/91/77/54/652917754.db2.gz DKGYSDGOZRSORK-WBMJQRKESA-N 1 2 382.913 2.245 20 0 GEADLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000675146026 652917759 /nfs/dbraw/zinc/91/77/59/652917759.db2.gz DKGYSDGOZRSORK-WBMJQRKESA-N 1 2 382.913 2.245 20 0 GEADLO CO[C@@H](C)c1nc(CN2CCC[N@H+](CCCCS(C)(=O)=O)CC2)cs1 ZINC000675299892 652922496 /nfs/dbraw/zinc/92/24/96/652922496.db2.gz IQBMWJPGHCYZQN-HNNXBMFYSA-N 1 2 389.587 2.183 20 0 GEADLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](CCCCS(C)(=O)=O)CC2)cs1 ZINC000675299892 652922504 /nfs/dbraw/zinc/92/25/04/652922504.db2.gz IQBMWJPGHCYZQN-HNNXBMFYSA-N 1 2 389.587 2.183 20 0 GEADLO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)c(Br)c3)C2)c1 ZINC000639198125 652927043 /nfs/dbraw/zinc/92/70/43/652927043.db2.gz NRNIPCRJVMDYDN-ZDUSSCGKSA-N 1 2 399.314 2.048 20 0 GEADLO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)c(Br)c3)C2)c1 ZINC000639198125 652927045 /nfs/dbraw/zinc/92/70/45/652927045.db2.gz NRNIPCRJVMDYDN-ZDUSSCGKSA-N 1 2 399.314 2.048 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]Cc1cc(OC)no1 ZINC000639326369 652932543 /nfs/dbraw/zinc/93/25/43/652932543.db2.gz RFVVCBDQKFACIZ-SNVBAGLBSA-N 1 2 398.257 2.249 20 0 GEADLO COc1cc(Br)c(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1O ZINC000639364114 652934205 /nfs/dbraw/zinc/93/42/05/652934205.db2.gz RDEOLQUYPUEYDS-CQSZACIVSA-N 1 2 399.285 2.033 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000767655892 652940105 /nfs/dbraw/zinc/94/01/05/652940105.db2.gz QQPUTQYBTRTGKN-JTQLQIEISA-N 1 2 385.902 2.351 20 0 GEADLO COc1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)cnc1Cl ZINC000767690910 652942303 /nfs/dbraw/zinc/94/23/03/652942303.db2.gz QPJMQXQYCNFDAY-UHFFFAOYSA-N 1 2 382.873 2.217 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639655252 652946251 /nfs/dbraw/zinc/94/62/51/652946251.db2.gz SEFJTVKPMBYULO-OAHLLOKOSA-N 1 2 396.336 2.490 20 0 GEADLO C[N@@H+](CC1CCOCC1)Cn1ncc(Br)c(Br)c1=O ZINC000767987472 653097182 /nfs/dbraw/zinc/09/71/82/653097182.db2.gz ZEVDUWJCELIOGD-UHFFFAOYSA-N 1 2 395.095 2.084 20 0 GEADLO COc1cc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)ncc1Br ZINC000639966523 653091200 /nfs/dbraw/zinc/09/12/00/653091200.db2.gz IKTWFUDPANSDBL-MNOVXSKESA-N 1 2 387.278 2.083 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCc2sc(Br)cc2C1 ZINC000676420153 653095120 /nfs/dbraw/zinc/09/51/20/653095120.db2.gz AEUCVSPGLWTJNH-NSHDSACASA-N 1 2 388.331 2.299 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCc2sc(Br)cc2C1 ZINC000676420153 653095127 /nfs/dbraw/zinc/09/51/27/653095127.db2.gz AEUCVSPGLWTJNH-NSHDSACASA-N 1 2 388.331 2.299 20 0 GEADLO C[N@H+](CC1CCOCC1)Cn1ncc(Br)c(Br)c1=O ZINC000767987472 653097180 /nfs/dbraw/zinc/09/71/80/653097180.db2.gz ZEVDUWJCELIOGD-UHFFFAOYSA-N 1 2 395.095 2.084 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2nccn3c(Br)cnc23)C1 ZINC000768154185 653103109 /nfs/dbraw/zinc/10/31/09/653103109.db2.gz CVGJLNPWMNPFGH-LLVKDONJSA-N 1 2 389.257 2.245 20 0 GEADLO O=C(c1cc(F)c(F)cc1Br)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676755863 653105543 /nfs/dbraw/zinc/10/55/43/653105543.db2.gz JYFZSEPXIZGHGY-SNVBAGLBSA-N 1 2 375.213 2.274 20 0 GEADLO COC[C@@H]1CCCC[N@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000768541619 653116376 /nfs/dbraw/zinc/11/63/76/653116376.db2.gz QAGIGLHRNFPJNR-HUUCEWRRSA-N 1 2 389.949 2.453 20 0 GEADLO COC[C@@H]1CCCC[N@@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000768541619 653116381 /nfs/dbraw/zinc/11/63/81/653116381.db2.gz QAGIGLHRNFPJNR-HUUCEWRRSA-N 1 2 389.949 2.453 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2nc3ccc(Br)cc3n2C)C1 ZINC000805472342 653118562 /nfs/dbraw/zinc/11/85/62/653118562.db2.gz HDFRCTRMKYJWTM-CQSZACIVSA-N 1 2 382.258 2.100 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2nc3ccc(Br)cc3n2C)C1 ZINC000805472342 653118565 /nfs/dbraw/zinc/11/85/65/653118565.db2.gz HDFRCTRMKYJWTM-CQSZACIVSA-N 1 2 382.258 2.100 20 0 GEADLO CC[N@H+]1[C@H](C)CN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)C[C@@H]1C ZINC000640606233 653134281 /nfs/dbraw/zinc/13/42/81/653134281.db2.gz ZEZCTOYFKRMYFA-OKILXGFUSA-N 1 2 385.555 2.087 20 0 GEADLO CC[N@@H+]1[C@H](C)CN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)C[C@@H]1C ZINC000640606233 653134286 /nfs/dbraw/zinc/13/42/86/653134286.db2.gz ZEZCTOYFKRMYFA-OKILXGFUSA-N 1 2 385.555 2.087 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn(CCSc3ccc(Cl)cc3)nn2)C1 ZINC000640838583 653140660 /nfs/dbraw/zinc/14/06/60/653140660.db2.gz JEOCYZGJQYZOEW-CYBMUJFWSA-N 1 2 386.930 2.001 20 0 GEADLO CCOC(=O)c1csc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)n1 ZINC000602100346 653147461 /nfs/dbraw/zinc/14/74/61/653147461.db2.gz OFCDWVUMFJLGHB-SNVBAGLBSA-N 1 2 376.360 2.326 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCc3sc(Br)cc3C2)CCO1 ZINC000772602217 653155633 /nfs/dbraw/zinc/15/56/33/653155633.db2.gz XFSMWOPXVQDXAQ-NSHDSACASA-N 1 2 388.331 2.299 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCc3sc(Br)cc3C2)CCO1 ZINC000772602217 653155638 /nfs/dbraw/zinc/15/56/38/653155638.db2.gz XFSMWOPXVQDXAQ-NSHDSACASA-N 1 2 388.331 2.299 20 0 GEADLO O=C1[C@H](n2cc(Cn3cc[nH+]c3)nn2)CCN1c1cccc(Br)c1 ZINC000641104647 653156459 /nfs/dbraw/zinc/15/64/59/653156459.db2.gz JUHSKMZLQMRUOZ-OAHLLOKOSA-N 1 2 387.241 2.263 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn(CCSc3cccc(Cl)c3)nn2)C1 ZINC000641112123 653157797 /nfs/dbraw/zinc/15/77/97/653157797.db2.gz DNNGJCAZBFTCPV-CYBMUJFWSA-N 1 2 386.930 2.001 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn(CCc3c(Cl)cccc3Cl)nn2)C1 ZINC000641124420 653159605 /nfs/dbraw/zinc/15/96/05/653159605.db2.gz XNUCNJGVFUTFHJ-LLVKDONJSA-N 1 2 389.308 2.104 20 0 GEADLO Cc1cnc(Br)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000806435133 653162428 /nfs/dbraw/zinc/16/24/28/653162428.db2.gz FTZLSMGTFNSLFU-CHWSQXEVSA-N 1 2 383.290 2.479 20 0 GEADLO COc1nc(Br)ccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000806450926 653163276 /nfs/dbraw/zinc/16/32/76/653163276.db2.gz BULUYTURNANMRB-NEPJUHHUSA-N 1 2 399.289 2.180 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn(Cc3cc(Cl)cc(Cl)c3F)nn2)C1 ZINC000641173698 653166094 /nfs/dbraw/zinc/16/60/94/653166094.db2.gz IKQVSUXCQNDRBD-LLVKDONJSA-N 1 2 393.271 2.049 20 0 GEADLO Clc1cc(Br)cnc1Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641206594 653170349 /nfs/dbraw/zinc/17/03/49/653170349.db2.gz NMSDBARFQXMTPB-UHFFFAOYSA-N 1 2 386.681 2.012 20 0 GEADLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2Cc3cccc(Br)c3C2)C1 ZINC000769780468 653176994 /nfs/dbraw/zinc/17/69/94/653176994.db2.gz WLNPXCWMJLSKJC-ZDUSSCGKSA-N 1 2 375.270 2.472 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000641289029 653179588 /nfs/dbraw/zinc/17/95/88/653179588.db2.gz IKYQSTQOTRYPQZ-AOOOYVTPSA-N 1 2 379.326 2.276 20 0 GEADLO COC(=O)[C@H](O)C1CC[NH+](Cc2cc(OC)c(Br)cc2F)CC1 ZINC000602488378 653186322 /nfs/dbraw/zinc/18/63/22/653186322.db2.gz WGLRWERZMFJEEX-OAHLLOKOSA-N 1 2 390.249 2.343 20 0 GEADLO O[C@H]1CCC[C@H]1[NH+]1CCN(c2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641342884 653189905 /nfs/dbraw/zinc/18/99/05/653189905.db2.gz KCDJXUHOYORTGD-ZJUUUORDSA-N 1 2 395.223 2.293 20 0 GEADLO CC(C)(CNC(=O)c1cnc2ncc(Br)cc2c1)[NH+]1CCOCC1 ZINC000681947300 653200155 /nfs/dbraw/zinc/20/01/55/653200155.db2.gz NIVZMOGPYTUSDU-UHFFFAOYSA-N 1 2 393.285 2.233 20 0 GEADLO COC(=O)c1cc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)c(Br)cc1F ZINC000602859477 653210086 /nfs/dbraw/zinc/21/00/86/653210086.db2.gz CRHFSSNJHPPODR-QMMMGPOBSA-N 1 2 397.204 2.318 20 0 GEADLO CS(=O)(=O)c1ccc(Br)c(C(=O)OCC[NH+]2CCCCC2)c1 ZINC000770368799 653210443 /nfs/dbraw/zinc/21/04/43/653210443.db2.gz ZQCMFZSHQRANCD-UHFFFAOYSA-N 1 2 390.299 2.495 20 0 GEADLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(Cl)ccc1I ZINC000602899273 653213919 /nfs/dbraw/zinc/21/39/19/653213919.db2.gz PBPCKNKMSJBXIN-YPMHNXCESA-N 1 2 381.641 2.262 20 0 GEADLO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(Cl)ccc1I ZINC000602899273 653213922 /nfs/dbraw/zinc/21/39/22/653213922.db2.gz PBPCKNKMSJBXIN-YPMHNXCESA-N 1 2 381.641 2.262 20 0 GEADLO Cc1ccnc(C[NH+]2CCN(c3ncc(I)cn3)CC2)c1 ZINC000602952812 653217568 /nfs/dbraw/zinc/21/75/68/653217568.db2.gz CLLQCFBWUGVFAI-UHFFFAOYSA-N 1 2 395.248 2.107 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCCOc2cncc(Cl)c2)C1 ZINC000641537636 653219340 /nfs/dbraw/zinc/21/93/40/653219340.db2.gz FUNLTVFADJUUQQ-UHFFFAOYSA-N 1 2 381.885 2.080 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCCOc2cncc(Cl)c2)C1 ZINC000641537636 653219344 /nfs/dbraw/zinc/21/93/44/653219344.db2.gz FUNLTVFADJUUQQ-UHFFFAOYSA-N 1 2 381.885 2.080 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000770723300 653222764 /nfs/dbraw/zinc/22/27/64/653222764.db2.gz NPHXEQXDZIQGTC-NXEZZACHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000770723300 653222768 /nfs/dbraw/zinc/22/27/68/653222768.db2.gz NPHXEQXDZIQGTC-NXEZZACHSA-N 1 2 395.294 2.310 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000641591702 653223448 /nfs/dbraw/zinc/22/34/48/653223448.db2.gz CVKVYWQWHPYVHK-UHFFFAOYSA-N 1 2 377.869 2.152 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC000641591702 653223449 /nfs/dbraw/zinc/22/34/49/653223449.db2.gz CVKVYWQWHPYVHK-UHFFFAOYSA-N 1 2 377.869 2.152 20 0 GEADLO COCCOCC[N@H+](C)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000808237360 653223561 /nfs/dbraw/zinc/22/35/61/653223561.db2.gz MHPQMWPUBKCXMC-UHFFFAOYSA-N 1 2 377.210 2.048 20 0 GEADLO COCCOCC[N@@H+](C)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000808237360 653223562 /nfs/dbraw/zinc/22/35/62/653223562.db2.gz MHPQMWPUBKCXMC-UHFFFAOYSA-N 1 2 377.210 2.048 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)c(Br)c2C)CC1 ZINC000682861842 653225850 /nfs/dbraw/zinc/22/58/50/653225850.db2.gz KHSWKBPUQYEEPQ-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)c(Br)c2C)CC1 ZINC000682861842 653225852 /nfs/dbraw/zinc/22/58/52/653225852.db2.gz KHSWKBPUQYEEPQ-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO CC(C)S(=O)(=O)CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000808364863 653228606 /nfs/dbraw/zinc/22/86/06/653228606.db2.gz ARKWNGYRAFERCG-HNNXBMFYSA-N 1 2 375.922 2.065 20 0 GEADLO Cc1nc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000683653858 653236465 /nfs/dbraw/zinc/23/64/65/653236465.db2.gz SMPABHRFPTXIKM-GFCCVEGCSA-N 1 2 392.257 2.151 20 0 GEADLO COC1(CO)CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000683677967 653238007 /nfs/dbraw/zinc/23/80/07/653238007.db2.gz YQAZUHWKDSTHBH-UHFFFAOYSA-N 1 2 396.285 2.396 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNc1ncc(Cn2cc(Br)cn2)s1 ZINC000683748150 653239387 /nfs/dbraw/zinc/23/93/87/653239387.db2.gz YZCQJDXLMRGTAG-NSHDSACASA-N 1 2 386.319 2.283 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNc1ncc(Cn2cc(Br)cn2)s1 ZINC000683748150 653239390 /nfs/dbraw/zinc/23/93/90/653239390.db2.gz YZCQJDXLMRGTAG-NSHDSACASA-N 1 2 386.319 2.283 20 0 GEADLO C[C@@H]1C[N@H+](CCNc2ncc(Cn3cc(Br)cn3)s2)CCO1 ZINC000683748210 653239549 /nfs/dbraw/zinc/23/95/49/653239549.db2.gz AVBWMEYASYWJIC-LLVKDONJSA-N 1 2 386.319 2.283 20 0 GEADLO C[C@@H]1C[N@@H+](CCNc2ncc(Cn3cc(Br)cn3)s2)CCO1 ZINC000683748210 653239550 /nfs/dbraw/zinc/23/95/50/653239550.db2.gz AVBWMEYASYWJIC-LLVKDONJSA-N 1 2 386.319 2.283 20 0 GEADLO C[C@H]1CCOCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000774648646 653246600 /nfs/dbraw/zinc/24/66/00/653246600.db2.gz KNRNPSQKCGRCQQ-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1CCOCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000774648646 653246605 /nfs/dbraw/zinc/24/66/05/653246605.db2.gz KNRNPSQKCGRCQQ-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccnc2I)C1 ZINC000774668445 653247539 /nfs/dbraw/zinc/24/75/39/653247539.db2.gz XCKVKQOTYPGEHQ-LLVKDONJSA-N 1 2 396.232 2.440 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000809581093 653283449 /nfs/dbraw/zinc/28/34/49/653283449.db2.gz ITRXNNRTUZYGAQ-QHCPKHFHSA-N 1 2 375.325 2.137 20 0 GEADLO CS[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000775076206 653284387 /nfs/dbraw/zinc/28/43/87/653284387.db2.gz BRPIPCPXIMVYEG-ZENOOKHLSA-N 1 2 383.945 2.459 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2c(Cl)nc3ccccn32)C1)C1CC1 ZINC000809783644 653294840 /nfs/dbraw/zinc/29/48/40/653294840.db2.gz BOILBPNUBYFNIJ-ZDUSSCGKSA-N 1 2 382.917 2.282 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2c(Cl)nc3ccccn32)C1)C1CC1 ZINC000809783644 653294844 /nfs/dbraw/zinc/29/48/44/653294844.db2.gz BOILBPNUBYFNIJ-ZDUSSCGKSA-N 1 2 382.917 2.282 20 0 GEADLO C[C@H]1CN(CCS(=O)(=O)CC[N@@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000810045499 653318970 /nfs/dbraw/zinc/31/89/70/653318970.db2.gz QNSYXGXAZBORBS-KBPBESRZSA-N 1 2 388.471 2.355 20 0 GEADLO C[C@H]1CN(CCS(=O)(=O)CC[N@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000810045499 653318977 /nfs/dbraw/zinc/31/89/77/653318977.db2.gz QNSYXGXAZBORBS-KBPBESRZSA-N 1 2 388.471 2.355 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000775694057 653322280 /nfs/dbraw/zinc/32/22/80/653322280.db2.gz FRKGXPDCDGCBRP-LLVKDONJSA-N 1 2 375.288 2.024 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)ccc1Br ZINC000775694057 653322288 /nfs/dbraw/zinc/32/22/88/653322288.db2.gz FRKGXPDCDGCBRP-LLVKDONJSA-N 1 2 375.288 2.024 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1c(F)ccc(Br)c1OC ZINC000874712224 653334179 /nfs/dbraw/zinc/33/41/79/653334179.db2.gz WPOYSXHPZJLTMV-NSHDSACASA-N 1 2 389.265 2.437 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1c(F)ccc(Br)c1OC ZINC000874712224 653334185 /nfs/dbraw/zinc/33/41/85/653334185.db2.gz WPOYSXHPZJLTMV-NSHDSACASA-N 1 2 389.265 2.437 20 0 GEADLO C[C@@H](c1cccc(NC(=O)c2c(Br)nnn2C)c1)[NH+]1CCOCC1 ZINC000810351591 653335931 /nfs/dbraw/zinc/33/59/31/653335931.db2.gz PITJMRGNKQGGDP-NSHDSACASA-N 1 2 394.273 2.223 20 0 GEADLO C[C@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000857899680 653342546 /nfs/dbraw/zinc/34/25/46/653342546.db2.gz LTLNNRVDWMQMJC-JTQLQIEISA-N 1 2 386.882 2.278 20 0 GEADLO COc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc1I ZINC000857981951 653346100 /nfs/dbraw/zinc/34/61/00/653346100.db2.gz DBZHEDRZMNYGBL-NSHDSACASA-N 1 2 383.189 2.371 20 0 GEADLO CC(=O)N[C@@H](CC(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccc(Br)cc1 ZINC000857992003 653346745 /nfs/dbraw/zinc/34/67/45/653346745.db2.gz RCXINUFXPMPOAK-CABCVRRESA-N 1 2 391.269 2.474 20 0 GEADLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)nc1 ZINC000858045456 653347365 /nfs/dbraw/zinc/34/73/65/653347365.db2.gz SYGUVTJBHBZROK-AWEZNQCLSA-N 1 2 381.523 2.355 20 0 GEADLO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)nc1 ZINC000858045456 653347371 /nfs/dbraw/zinc/34/73/71/653347371.db2.gz SYGUVTJBHBZROK-AWEZNQCLSA-N 1 2 381.523 2.355 20 0 GEADLO C[C@@]1(CCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1(Cl)Cl ZINC000836440401 653352262 /nfs/dbraw/zinc/35/22/62/653352262.db2.gz ACBIOWOAQGYKGL-OAHLLOKOSA-N 1 2 390.315 2.311 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@H]2C[C@]2(C)Br)CC1 ZINC000858407905 653362897 /nfs/dbraw/zinc/36/28/97/653362897.db2.gz NEAGFSAWNGKKCZ-DYVFJYSZSA-N 1 2 380.286 2.186 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2C[C@]2(C)Br)CC1 ZINC000858407906 653362979 /nfs/dbraw/zinc/36/29/79/653362979.db2.gz NEAGFSAWNGKKCZ-GUYCJALGSA-N 1 2 380.286 2.186 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000875391618 653367690 /nfs/dbraw/zinc/36/76/90/653367690.db2.gz SWPCSDKIRIYIBI-ZDUSSCGKSA-N 1 2 386.290 2.065 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000875391618 653367695 /nfs/dbraw/zinc/36/76/95/653367695.db2.gz SWPCSDKIRIYIBI-ZDUSSCGKSA-N 1 2 386.290 2.065 20 0 GEADLO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000858585816 653368581 /nfs/dbraw/zinc/36/85/81/653368581.db2.gz BEJDVDQZCJEYQI-GHMZBOCLSA-N 1 2 396.289 2.397 20 0 GEADLO Cc1c(Br)nccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000836682490 653369169 /nfs/dbraw/zinc/36/91/69/653369169.db2.gz SCMPEICDQGXAHN-CYBMUJFWSA-N 1 2 383.290 2.481 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)CC1 ZINC000858763695 653377790 /nfs/dbraw/zinc/37/77/90/653377790.db2.gz LTMIOQXREMQKDX-UHFFFAOYSA-N 1 2 383.901 2.065 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000811245452 653383726 /nfs/dbraw/zinc/38/37/26/653383726.db2.gz CJZKRJUUPLGWJL-PHIMTYICSA-N 1 2 381.782 2.270 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000811245452 653383735 /nfs/dbraw/zinc/38/37/35/653383735.db2.gz CJZKRJUUPLGWJL-PHIMTYICSA-N 1 2 381.782 2.270 20 0 GEADLO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866106 653384599 /nfs/dbraw/zinc/38/45/99/653384599.db2.gz JYMNXLRQEVYWRA-BETUJISGSA-N 1 2 377.794 2.276 20 0 GEADLO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866106 653384608 /nfs/dbraw/zinc/38/46/08/653384608.db2.gz JYMNXLRQEVYWRA-BETUJISGSA-N 1 2 377.794 2.276 20 0 GEADLO COC(=O)NCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000837090177 653401045 /nfs/dbraw/zinc/40/10/45/653401045.db2.gz CLFFFKKVORTXKI-CQSZACIVSA-N 1 2 384.274 2.058 20 0 GEADLO COC[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1cccc(Br)c1 ZINC000876235744 653412902 /nfs/dbraw/zinc/41/29/02/653412902.db2.gz QPZBPVPUHBLJKJ-HIFRSBDPSA-N 1 2 379.258 2.257 20 0 GEADLO CC[N@H+](CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O)[C@H]1CCOC1 ZINC000812295876 653420346 /nfs/dbraw/zinc/42/03/46/653420346.db2.gz KQHFNNRMRJJKJY-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO CC[N@@H+](CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O)[C@H]1CCOC1 ZINC000812295876 653420357 /nfs/dbraw/zinc/42/03/57/653420357.db2.gz KQHFNNRMRJJKJY-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Br)nc1F ZINC000859213301 653424331 /nfs/dbraw/zinc/42/43/31/653424331.db2.gz MSWGIBAGHCTLPR-GHMZBOCLSA-N 1 2 392.294 2.278 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Br)nc1F ZINC000859213301 653424336 /nfs/dbraw/zinc/42/43/36/653424336.db2.gz MSWGIBAGHCTLPR-GHMZBOCLSA-N 1 2 392.294 2.278 20 0 GEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3ncccc3Cl)CC2)cc1 ZINC000859220518 653424888 /nfs/dbraw/zinc/42/48/88/653424888.db2.gz FWVXZGHSBXODLF-UHFFFAOYSA-N 1 2 380.901 2.429 20 0 GEADLO COC(=O)c1ccc(C[N@H+](C)CC(C)(C)S(C)(=O)=O)cc1Br ZINC000876779907 653447091 /nfs/dbraw/zinc/44/70/91/653447091.db2.gz NQCVDORULASISX-UHFFFAOYSA-N 1 2 392.315 2.491 20 0 GEADLO COC(=O)c1ccc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)cc1Br ZINC000876779907 653447096 /nfs/dbraw/zinc/44/70/96/653447096.db2.gz NQCVDORULASISX-UHFFFAOYSA-N 1 2 392.315 2.491 20 0 GEADLO NS(=O)(=O)c1cc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)ccc1Cl ZINC000877140102 653468464 /nfs/dbraw/zinc/46/84/64/653468464.db2.gz MYUIIQPEDDAVHD-QGZVFWFLSA-N 1 2 384.860 2.220 20 0 GEADLO NS(=O)(=O)c1cc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)ccc1Cl ZINC000877140102 653468468 /nfs/dbraw/zinc/46/84/68/653468468.db2.gz MYUIIQPEDDAVHD-QGZVFWFLSA-N 1 2 384.860 2.220 20 0 GEADLO C[C@@H](CNC(=O)c1cc(Br)c2ncc(C=O)n2c1)Cn1cc[nH+]c1 ZINC000859507840 653470514 /nfs/dbraw/zinc/47/05/14/653470514.db2.gz OZXLFLSYWAMJOT-NSHDSACASA-N 1 2 390.241 2.172 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000779563055 653489483 /nfs/dbraw/zinc/48/94/83/653489483.db2.gz MHXKHNDUYHJQNL-ZNMIVQPWSA-N 1 2 392.253 2.107 20 0 GEADLO NS(=O)(=O)NC1CC[NH+](Cc2cc3cc(Cl)ccc3nc2Cl)CC1 ZINC000859957531 653613117 /nfs/dbraw/zinc/61/31/17/653613117.db2.gz GTAKSKHQQHCPGK-UHFFFAOYSA-N 1 2 389.308 2.299 20 0 GEADLO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3nc4cc(Br)ccc4o3)C2)C1 ZINC000877712743 653617486 /nfs/dbraw/zinc/61/74/86/653617486.db2.gz SSGPQFNSAYSYOV-INIZCTEOSA-N 1 2 394.225 2.484 20 0 GEADLO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3nc4cc(Br)ccc4o3)C2)C1 ZINC000877712743 653617490 /nfs/dbraw/zinc/61/74/90/653617490.db2.gz SSGPQFNSAYSYOV-INIZCTEOSA-N 1 2 394.225 2.484 20 0 GEADLO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2ncc(Br)s2)CC1 ZINC000877766654 653618967 /nfs/dbraw/zinc/61/89/67/653618967.db2.gz HUDAZVCENOWWJY-UHFFFAOYSA-N 1 2 382.349 2.246 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860217751 653621646 /nfs/dbraw/zinc/62/16/46/653621646.db2.gz LFZQGKXSTZVJRF-UHFFFAOYSA-N 1 2 390.241 2.268 20 0 GEADLO Cc1occc1C(=O)NC1CC[NH+](C[C@H](O)c2cc(Br)no2)CC1 ZINC000878045068 653627291 /nfs/dbraw/zinc/62/72/91/653627291.db2.gz TYUXNMNQIBGPSD-ZDUSSCGKSA-N 1 2 398.257 2.266 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@H](O)c2cc(Br)no2)CC1 ZINC000878129835 653629556 /nfs/dbraw/zinc/62/95/56/653629556.db2.gz BYRSQULFLSFUND-OCCSQVGLSA-N 1 2 381.274 2.244 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878169105 653630414 /nfs/dbraw/zinc/63/04/14/653630414.db2.gz KBJVMPQLTKXKHB-GHMZBOCLSA-N 1 2 390.278 2.412 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878169105 653630416 /nfs/dbraw/zinc/63/04/16/653630416.db2.gz KBJVMPQLTKXKHB-GHMZBOCLSA-N 1 2 390.278 2.412 20 0 GEADLO Cn1ccn2c(C[NH2+]C3(c4cccc(Br)c4)CCC3)nnc2c1=O ZINC000878231411 653632312 /nfs/dbraw/zinc/63/23/12/653632312.db2.gz RGWCVBWLMRGFLD-UHFFFAOYSA-N 1 2 388.269 2.360 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)N=S(C)(C)=O)C1CCCCC1 ZINC000878378959 653636229 /nfs/dbraw/zinc/63/62/29/653636229.db2.gz REDKYKARFKYKCI-AWEZNQCLSA-N 1 2 375.535 2.304 20 0 GEADLO COC(=O)c1cccc(Br)c1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000814629085 653637522 /nfs/dbraw/zinc/63/75/22/653637522.db2.gz CBBVVIZQKUFODR-UHFFFAOYSA-N 1 2 383.242 2.310 20 0 GEADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878616380 653642759 /nfs/dbraw/zinc/64/27/59/653642759.db2.gz MVRRZAJTYXWXBH-VXGBXAGGSA-N 1 2 390.278 2.461 20 0 GEADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878616380 653642763 /nfs/dbraw/zinc/64/27/63/653642763.db2.gz MVRRZAJTYXWXBH-VXGBXAGGSA-N 1 2 390.278 2.461 20 0 GEADLO OC[C@]1(F)C[N@H+](C[C@H](O)c2cc(Br)no2)C[C@@H]1c1ccccc1 ZINC000878666364 653644028 /nfs/dbraw/zinc/64/40/28/653644028.db2.gz UBTBNUXQRAXDLH-DVOMOZLQSA-N 1 2 385.233 2.271 20 0 GEADLO OC[C@]1(F)C[N@@H+](C[C@H](O)c2cc(Br)no2)C[C@@H]1c1ccccc1 ZINC000878666364 653644031 /nfs/dbraw/zinc/64/40/31/653644031.db2.gz UBTBNUXQRAXDLH-DVOMOZLQSA-N 1 2 385.233 2.271 20 0 GEADLO O=C(C[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1)NCc1ccccn1 ZINC000878875708 653650439 /nfs/dbraw/zinc/65/04/39/653650439.db2.gz MASVQZSIPOKFSN-HNNXBMFYSA-N 1 2 391.269 2.009 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1)NCc1ccccn1 ZINC000878875708 653650442 /nfs/dbraw/zinc/65/04/42/653650442.db2.gz MASVQZSIPOKFSN-HNNXBMFYSA-N 1 2 391.269 2.009 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000781965221 653652505 /nfs/dbraw/zinc/65/25/05/653652505.db2.gz RACLKDRROILSNL-NSHDSACASA-N 1 2 389.315 2.067 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000781965221 653652507 /nfs/dbraw/zinc/65/25/07/653652507.db2.gz RACLKDRROILSNL-NSHDSACASA-N 1 2 389.315 2.067 20 0 GEADLO Cc1ccnn1CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000861662760 653664168 /nfs/dbraw/zinc/66/41/68/653664168.db2.gz GDYQQPZABAQINL-UHFFFAOYSA-N 1 2 392.257 2.473 20 0 GEADLO COC(=O)C1=NO[C@]2(CC[N@H+](CCOc3ccccc3Br)C2)C1 ZINC000879483943 653669977 /nfs/dbraw/zinc/66/99/77/653669977.db2.gz OCPWCFHBTJOYRI-MRXNPFEDSA-N 1 2 383.242 2.222 20 0 GEADLO COC(=O)C1=NO[C@]2(CC[N@@H+](CCOc3ccccc3Br)C2)C1 ZINC000879483943 653669980 /nfs/dbraw/zinc/66/99/80/653669980.db2.gz OCPWCFHBTJOYRI-MRXNPFEDSA-N 1 2 383.242 2.222 20 0 GEADLO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861915429 653670762 /nfs/dbraw/zinc/67/07/62/653670762.db2.gz GRCICXIXSQVQLD-CYBMUJFWSA-N 1 2 393.285 2.466 20 0 GEADLO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000861915429 653670766 /nfs/dbraw/zinc/67/07/66/653670766.db2.gz GRCICXIXSQVQLD-CYBMUJFWSA-N 1 2 393.285 2.466 20 0 GEADLO CN1C(=O)[C@H]2C[N@H+](Cc3noc(-c4cccc(Cl)c4Cl)n3)C[C@H]2C1=O ZINC000879537325 653671909 /nfs/dbraw/zinc/67/19/09/653671909.db2.gz YBLSHPPMEXJGBH-AOOOYVTPSA-N 1 2 381.219 2.090 20 0 GEADLO CN1C(=O)[C@H]2C[N@@H+](Cc3noc(-c4cccc(Cl)c4Cl)n3)C[C@H]2C1=O ZINC000879537325 653671910 /nfs/dbraw/zinc/67/19/10/653671910.db2.gz YBLSHPPMEXJGBH-AOOOYVTPSA-N 1 2 381.219 2.090 20 0 GEADLO COC(=O)c1sc2[nH]c(C[N@@H+]3CC[C@@H]4CSC[C@@H]4C3)nc(=O)c2c1C ZINC000879561641 653672957 /nfs/dbraw/zinc/67/29/57/653672957.db2.gz RQELMRBDUDVEEG-MNOVXSKESA-N 1 2 379.507 2.265 20 0 GEADLO COC(=O)c1sc2[nH]c(C[N@H+]3CC[C@@H]4CSC[C@@H]4C3)nc(=O)c2c1C ZINC000879561641 653672959 /nfs/dbraw/zinc/67/29/59/653672959.db2.gz RQELMRBDUDVEEG-MNOVXSKESA-N 1 2 379.507 2.265 20 0 GEADLO CNC(=O)[C@@]1(C)CC[N@H+](Cn2nc3ccc(Br)cn3c2=S)C1 ZINC000840065283 653673045 /nfs/dbraw/zinc/67/30/45/653673045.db2.gz QYANQWCXTRGVRP-AWEZNQCLSA-N 1 2 384.303 2.043 20 0 GEADLO CNC(=O)[C@@]1(C)CC[N@@H+](Cn2nc3ccc(Br)cn3c2=S)C1 ZINC000840065283 653673050 /nfs/dbraw/zinc/67/30/50/653673050.db2.gz QYANQWCXTRGVRP-AWEZNQCLSA-N 1 2 384.303 2.043 20 0 GEADLO COCC(C)(C)[NH+]1CCN(C(=O)c2cc(Br)cc(C=O)c2)CC1 ZINC000862038246 653674024 /nfs/dbraw/zinc/67/40/24/653674024.db2.gz ZWIZUZQRKLMYGW-UHFFFAOYSA-N 1 2 383.286 2.444 20 0 GEADLO CC1(C)C[C@H](O)C[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000879620053 653674305 /nfs/dbraw/zinc/67/43/05/653674305.db2.gz IZROMFKAEFKVIG-ZDUSSCGKSA-N 1 2 376.316 2.316 20 0 GEADLO CC1(C)C[C@H](O)C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000879620053 653674309 /nfs/dbraw/zinc/67/43/09/653674309.db2.gz IZROMFKAEFKVIG-ZDUSSCGKSA-N 1 2 376.316 2.316 20 0 GEADLO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc(C)c(F)cc3Br)CCN2C1=O ZINC000862252476 653682147 /nfs/dbraw/zinc/68/21/47/653682147.db2.gz UVSOUKZSEBLBHB-AWEZNQCLSA-N 1 2 384.249 2.365 20 0 GEADLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc(C)c(F)cc3Br)CCN2C1=O ZINC000862252476 653682148 /nfs/dbraw/zinc/68/21/48/653682148.db2.gz UVSOUKZSEBLBHB-AWEZNQCLSA-N 1 2 384.249 2.365 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1 ZINC000879898034 653686099 /nfs/dbraw/zinc/68/60/99/653686099.db2.gz AHDKBEHETZUMSK-LLLHUVSDSA-N 1 2 384.929 2.415 20 0 GEADLO Nc1c(Br)cc(Br)cc1C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862546342 653688193 /nfs/dbraw/zinc/68/81/93/653688193.db2.gz LSKANWGNHUUWDV-PSASIEDQSA-N 1 2 390.075 2.399 20 0 GEADLO Nc1c(Br)cc(Br)cc1C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862546342 653688195 /nfs/dbraw/zinc/68/81/95/653688195.db2.gz LSKANWGNHUUWDV-PSASIEDQSA-N 1 2 390.075 2.399 20 0 GEADLO O=S1(=O)C[C@@H]2CC[N@@H+](CCc3cc(Cl)c4c(c3)OCCCO4)C[C@@H]2C1 ZINC000879938878 653689157 /nfs/dbraw/zinc/68/91/57/653689157.db2.gz GBJRKVZAWDOCSW-LSDHHAIUSA-N 1 2 385.913 2.410 20 0 GEADLO O=S1(=O)C[C@@H]2CC[N@H+](CCc3cc(Cl)c4c(c3)OCCCO4)C[C@@H]2C1 ZINC000879938878 653689158 /nfs/dbraw/zinc/68/91/58/653689158.db2.gz GBJRKVZAWDOCSW-LSDHHAIUSA-N 1 2 385.913 2.410 20 0 GEADLO O=C(C[NH+]1CCC(CO)(CO)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000879969875 653690667 /nfs/dbraw/zinc/69/06/67/653690667.db2.gz QPJRWHYXVMSWFY-UHFFFAOYSA-N 1 2 380.794 2.364 20 0 GEADLO C[C@]12C[N@@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015760 653692085 /nfs/dbraw/zinc/69/20/85/653692085.db2.gz ICSSJJQNZVXUDU-RYQLBKOJSA-N 1 2 382.913 2.202 20 0 GEADLO C[C@]12C[N@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015760 653692086 /nfs/dbraw/zinc/69/20/86/653692086.db2.gz ICSSJJQNZVXUDU-RYQLBKOJSA-N 1 2 382.913 2.202 20 0 GEADLO O=C(C[N@@H+]1CCNC(=O)CC12CCC2)Nc1ccc(Br)cc1F ZINC000880170829 653699865 /nfs/dbraw/zinc/69/98/65/653699865.db2.gz LQVFMEVSMXTBHS-UHFFFAOYSA-N 1 2 384.249 2.271 20 0 GEADLO O=C(C[N@H+]1CCNC(=O)CC12CCC2)Nc1ccc(Br)cc1F ZINC000880170829 653699866 /nfs/dbraw/zinc/69/98/66/653699866.db2.gz LQVFMEVSMXTBHS-UHFFFAOYSA-N 1 2 384.249 2.271 20 0 GEADLO COC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H](O)c1cc(Br)no1)C2 ZINC000880351427 653704586 /nfs/dbraw/zinc/70/45/86/653704586.db2.gz SUWSDIOVNVGZOM-CYBMUJFWSA-N 1 2 381.226 2.315 20 0 GEADLO COC(=O)c1ccc2c(c1)CC[N@H+](C[C@@H](O)c1cc(Br)no1)C2 ZINC000880351427 653704587 /nfs/dbraw/zinc/70/45/87/653704587.db2.gz SUWSDIOVNVGZOM-CYBMUJFWSA-N 1 2 381.226 2.315 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21)c1ccc(Br)cc1 ZINC000880530001 653707614 /nfs/dbraw/zinc/70/76/14/653707614.db2.gz DFMKDPOOXWEWPV-DXCKQFNASA-N 1 2 394.313 2.227 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21)c1ccc(Br)cc1 ZINC000880530001 653707616 /nfs/dbraw/zinc/70/76/16/653707616.db2.gz DFMKDPOOXWEWPV-DXCKQFNASA-N 1 2 394.313 2.227 20 0 GEADLO O=S(=O)(c1ccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1)C(F)F ZINC000880586515 653708552 /nfs/dbraw/zinc/70/85/52/653708552.db2.gz RYFATTLGTYWSHF-AWEZNQCLSA-N 1 2 375.437 2.046 20 0 GEADLO O=S(=O)(c1ccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1)C(F)F ZINC000880586515 653708554 /nfs/dbraw/zinc/70/85/54/653708554.db2.gz RYFATTLGTYWSHF-AWEZNQCLSA-N 1 2 375.437 2.046 20 0 GEADLO CNC(=O)[C@@H]1CC[N@H+](Cn2c3cc(Cl)ccc3n(CCOC)c2=S)C1 ZINC000817371071 653709190 /nfs/dbraw/zinc/70/91/90/653709190.db2.gz WWWVCKPWUDYMTM-GFCCVEGCSA-N 1 2 382.917 2.497 20 0 GEADLO CNC(=O)[C@@H]1CC[N@@H+](Cn2c3cc(Cl)ccc3n(CCOC)c2=S)C1 ZINC000817371071 653709195 /nfs/dbraw/zinc/70/91/95/653709195.db2.gz WWWVCKPWUDYMTM-GFCCVEGCSA-N 1 2 382.917 2.497 20 0 GEADLO CNC(=O)[C@H]1CC[N@H+](Cn2nc(Nc3ccc(OC)cc3)sc2=S)C1 ZINC000817369786 653709208 /nfs/dbraw/zinc/70/92/08/653709208.db2.gz HBJVVROUXDKNTP-NSHDSACASA-N 1 2 379.511 2.452 20 0 GEADLO CNC(=O)[C@H]1CC[N@@H+](Cn2nc(Nc3ccc(OC)cc3)sc2=S)C1 ZINC000817369786 653709212 /nfs/dbraw/zinc/70/92/12/653709212.db2.gz HBJVVROUXDKNTP-NSHDSACASA-N 1 2 379.511 2.452 20 0 GEADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C2SCCCS2)CC1 ZINC000841192499 653709859 /nfs/dbraw/zinc/70/98/59/653709859.db2.gz SMEGUEFQXSAXRT-UHFFFAOYSA-N 1 2 379.551 2.485 20 0 GEADLO Cn1nc(Br)cc1CNc1ccc[nH+]c1N1CCC(CO)CC1 ZINC000785503640 653710942 /nfs/dbraw/zinc/71/09/42/653710942.db2.gz MRMVLTNZJNPIQS-UHFFFAOYSA-N 1 2 380.290 2.398 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000880803082 653714630 /nfs/dbraw/zinc/71/46/30/653714630.db2.gz ZMXARULCMRWDEP-UHFFFAOYSA-N 1 2 384.274 2.180 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)CC1 ZINC000841498137 653721626 /nfs/dbraw/zinc/72/16/26/653721626.db2.gz LNOWIVVHMBEEQP-LLVKDONJSA-N 1 2 389.930 2.027 20 0 GEADLO O=C(CSCC(F)(F)F)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000786453954 653722713 /nfs/dbraw/zinc/72/27/13/653722713.db2.gz KEGATTSATUTUOW-UHFFFAOYSA-N 1 2 396.456 2.231 20 0 GEADLO C[C@@](O)(Cn1cc(Cn2cc[nH+]c2)nn1)c1ccc(Br)cc1F ZINC000881425478 653730879 /nfs/dbraw/zinc/73/08/79/653730879.db2.gz YPPPEZRIBIRVAM-OAHLLOKOSA-N 1 2 380.221 2.332 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000787088955 653734362 /nfs/dbraw/zinc/73/43/62/653734362.db2.gz YLGIRXRNEGLIPP-GFCCVEGCSA-N 1 2 378.274 2.428 20 0 GEADLO Cn1ncc(Br)c1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000787088955 653734363 /nfs/dbraw/zinc/73/43/63/653734363.db2.gz YLGIRXRNEGLIPP-GFCCVEGCSA-N 1 2 378.274 2.428 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)N[C@@H]1COc2cccc(Br)c2C1 ZINC000864423953 653735596 /nfs/dbraw/zinc/73/55/96/653735596.db2.gz QGMGBBSDXMXKQU-LBPRGKRZSA-N 1 2 379.258 2.339 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000864424288 653735639 /nfs/dbraw/zinc/73/56/39/653735639.db2.gz UPSQITSEYXSTPD-NWDGAFQWSA-N 1 2 379.258 2.337 20 0 GEADLO Cc1cc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)[nH]n1 ZINC000787534771 653739652 /nfs/dbraw/zinc/73/96/52/653739652.db2.gz CNBVSGFJJQPHCG-UHFFFAOYSA-N 1 2 392.301 2.414 20 0 GEADLO O=C(c1nc(Br)sc1Cl)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000864537320 653740638 /nfs/dbraw/zinc/74/06/38/653740638.db2.gz ZQJLDMVJTVSVGW-SECBINFHSA-N 1 2 394.722 2.496 20 0 GEADLO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2nn(C)cc2I)c1 ZINC000819358098 653749790 /nfs/dbraw/zinc/74/97/90/653749790.db2.gz ZHBRFTRPDHKMDF-OAHLLOKOSA-N 1 2 385.249 2.465 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)c(C)c1Cl ZINC000788584003 653760018 /nfs/dbraw/zinc/76/00/18/653760018.db2.gz YROUNPAOMJKWNO-UHFFFAOYSA-N 1 2 394.946 2.459 20 0 GEADLO Cn1c[nH+]c(CCN2C(=O)[C@@H](c3ccc(Br)s3)N(C)C2=O)c1 ZINC000865312922 653760339 /nfs/dbraw/zinc/76/03/39/653760339.db2.gz RJDOPMLBHLTKFC-GFCCVEGCSA-N 1 2 383.271 2.422 20 0 GEADLO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1nc(Br)ccc1F ZINC000788663562 653762547 /nfs/dbraw/zinc/76/25/47/653762547.db2.gz HBUCXTXADVEFQC-MFKMUULPSA-N 1 2 386.265 2.414 20 0 GEADLO NS(=O)(=O)c1cc(Br)ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865505066 653766960 /nfs/dbraw/zinc/76/69/60/653766960.db2.gz BDTMUKYEYXMIAI-GFCCVEGCSA-N 1 2 385.287 2.135 20 0 GEADLO Cn1nc(Br)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000820243798 653769742 /nfs/dbraw/zinc/76/97/42/653769742.db2.gz VAIGOTKBPQVKPC-MRXNPFEDSA-N 1 2 393.285 2.319 20 0 GEADLO C[C@H]1CN=C(N2CCN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)CC2)S1 ZINC000820283749 653771080 /nfs/dbraw/zinc/77/10/80/653771080.db2.gz NGBPJCCJALZLFU-RYUDHWBXSA-N 1 2 375.420 2.012 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)Cc1sccc1Br ZINC000842965670 653775269 /nfs/dbraw/zinc/77/52/69/653775269.db2.gz NWFWAJMNMKLBKC-RYUDHWBXSA-N 1 2 392.315 2.332 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)Cc1sccc1Br ZINC000842965670 653775273 /nfs/dbraw/zinc/77/52/73/653775273.db2.gz NWFWAJMNMKLBKC-RYUDHWBXSA-N 1 2 392.315 2.332 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(F)c(Br)c1 ZINC000842971284 653775991 /nfs/dbraw/zinc/77/59/91/653775991.db2.gz QFGURFXSZXVIAM-AAEUAGOBSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(F)c(Br)c1 ZINC000842971284 653775995 /nfs/dbraw/zinc/77/59/95/653775995.db2.gz QFGURFXSZXVIAM-AAEUAGOBSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(F)c(Br)c1 ZINC000842971286 653776047 /nfs/dbraw/zinc/77/60/47/653776047.db2.gz QFGURFXSZXVIAM-WCQYABFASA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(F)c(Br)c1 ZINC000842971286 653776050 /nfs/dbraw/zinc/77/60/50/653776050.db2.gz QFGURFXSZXVIAM-WCQYABFASA-N 1 2 390.249 2.481 20 0 GEADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cccc(SC(F)F)c2)[nH+]1 ZINC000789599146 653778541 /nfs/dbraw/zinc/77/85/41/653778541.db2.gz AZRPMWIRBMXKLI-UHFFFAOYSA-N 1 2 388.787 2.308 20 0 GEADLO CSc1ccc(Cl)cc1NC(=O)C(=O)Nc1nc(Cl)cc(NN)[nH+]1 ZINC000789601831 653778687 /nfs/dbraw/zinc/77/86/87/653778687.db2.gz WRRUGYQFCGLRCE-UHFFFAOYSA-N 1 2 387.252 2.368 20 0 GEADLO COCC[NH2+]Cc1nc(Cc2cc(OC)c(OC)cc2Br)no1 ZINC000843198848 653781154 /nfs/dbraw/zinc/78/11/54/653781154.db2.gz WDWBMGOPZDDUKR-UHFFFAOYSA-N 1 2 386.246 2.176 20 0 GEADLO COCC[NH2+]Cc1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000843203918 653781270 /nfs/dbraw/zinc/78/12/70/653781270.db2.gz XZVYUJVKIYPVJY-UHFFFAOYSA-N 1 2 398.257 2.320 20 0 GEADLO CS(=O)(=O)CC[C@H]([NH3+])c1nc(-c2cc(Br)ccc2F)no1 ZINC000843235291 653782139 /nfs/dbraw/zinc/78/21/39/653782139.db2.gz NJXRRROCNQBQAS-JTQLQIEISA-N 1 2 378.223 2.073 20 0 GEADLO CC(=O)N[C@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000866002081 653783051 /nfs/dbraw/zinc/78/30/51/653783051.db2.gz MLRPIXGKKPYRJC-WBMJQRKESA-N 1 2 393.285 2.275 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(Br)c1Cl ZINC000790064745 653786445 /nfs/dbraw/zinc/78/64/45/653786445.db2.gz YHPHJPGWKPCTRQ-NSHDSACASA-N 1 2 386.633 2.271 20 0 GEADLO CC(C)n1ncc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1Br ZINC000866127064 653786543 /nfs/dbraw/zinc/78/65/43/653786543.db2.gz QVMOFRYDIRFISK-ZDUSSCGKSA-N 1 2 385.306 2.163 20 0 GEADLO C[C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)Oc1cccc(Br)c1 ZINC000866169630 653787901 /nfs/dbraw/zinc/78/79/01/653787901.db2.gz YRRFPTGGNVHZFV-ZRFDWSJLSA-N 1 2 383.286 2.221 20 0 GEADLO Cn1ncc(I)c1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000866292058 653790234 /nfs/dbraw/zinc/79/02/34/653790234.db2.gz FRDBPBRUALVJIM-UHFFFAOYSA-N 1 2 384.225 2.027 20 0 GEADLO Cn1ncc(I)c1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000866292058 653790236 /nfs/dbraw/zinc/79/02/36/653790236.db2.gz FRDBPBRUALVJIM-UHFFFAOYSA-N 1 2 384.225 2.027 20 0 GEADLO COc1cccc(Br)c1CS(=O)(=O)NCCCn1cc[nH+]c1 ZINC000866377770 653791889 /nfs/dbraw/zinc/79/18/89/653791889.db2.gz ORZDVXFBSDYCAW-UHFFFAOYSA-N 1 2 388.287 2.164 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(Br)cc2Cl)C1 ZINC000866386848 653792336 /nfs/dbraw/zinc/79/23/36/653792336.db2.gz HPYIMIQARNLGCX-JTQLQIEISA-N 1 2 384.679 2.142 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(Br)cc2Cl)C1 ZINC000866386848 653792339 /nfs/dbraw/zinc/79/23/39/653792339.db2.gz HPYIMIQARNLGCX-JTQLQIEISA-N 1 2 384.679 2.142 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)Cc2noc3ccc(Br)cc32)CCO1 ZINC000821338616 653795159 /nfs/dbraw/zinc/79/51/59/653795159.db2.gz LAJYSEBVOHCFFW-NSHDSACASA-N 1 2 383.242 2.397 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)Cc2noc3ccc(Br)cc32)CCO1 ZINC000821338616 653795163 /nfs/dbraw/zinc/79/51/63/653795163.db2.gz LAJYSEBVOHCFFW-NSHDSACASA-N 1 2 383.242 2.397 20 0 GEADLO C[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc(I)cc1 ZINC000821385268 653796873 /nfs/dbraw/zinc/79/68/73/653796873.db2.gz JZJVYARJESUKQO-MFKMUULPSA-N 1 2 381.217 2.332 20 0 GEADLO O=S(=O)(NCCc1cn2c([nH+]1)CCCC2)c1cc(Cl)cnc1Cl ZINC000866469146 653797405 /nfs/dbraw/zinc/79/74/05/653797405.db2.gz HEFIYCWQPVBBFH-UHFFFAOYSA-N 1 2 375.281 2.442 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000844316512 653804918 /nfs/dbraw/zinc/80/49/18/653804918.db2.gz GCBZHQPLQCZURQ-UHFFFAOYSA-N 1 2 380.897 2.471 20 0 GEADLO C[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000844329675 653805031 /nfs/dbraw/zinc/80/50/31/653805031.db2.gz HNFNJAJTABYZOH-UHFFFAOYSA-N 1 2 389.905 2.039 20 0 GEADLO C[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000844329675 653805034 /nfs/dbraw/zinc/80/50/34/653805034.db2.gz HNFNJAJTABYZOH-UHFFFAOYSA-N 1 2 389.905 2.039 20 0 GEADLO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866672372 653809540 /nfs/dbraw/zinc/80/95/40/653809540.db2.gz INZVNGAUBUBXRF-DEOSSOPVSA-N 1 2 381.523 2.456 20 0 GEADLO CN1CC[NH+](Cc2ccc(NC(=O)c3cc(Br)[nH]n3)cc2)CC1 ZINC000821902102 653811544 /nfs/dbraw/zinc/81/15/44/653811544.db2.gz MBSSMSQPEQDJQG-UHFFFAOYSA-N 1 2 378.274 2.172 20 0 GEADLO COC(=O)[C@@]1(O)CCN(c2cc(C)[nH+]c(-c3ccc(Br)cc3)n2)C1 ZINC000883000729 653821642 /nfs/dbraw/zinc/82/16/42/653821642.db2.gz JSMSYUBHOHHBGZ-QGZVFWFLSA-N 1 2 392.253 2.329 20 0 GEADLO Nc1cc(COC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc[nH+]1 ZINC000791735732 653822322 /nfs/dbraw/zinc/82/23/22/653822322.db2.gz YNDWFYISKJFAAU-CYBMUJFWSA-N 1 2 381.479 2.012 20 0 GEADLO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@H]1CCn2cc[nH+]c2C1 ZINC000883027059 653822739 /nfs/dbraw/zinc/82/27/39/653822739.db2.gz OALBWZHKAIRLKS-VIFPVBQESA-N 1 2 391.225 2.178 20 0 GEADLO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000883027249 653822992 /nfs/dbraw/zinc/82/29/92/653822992.db2.gz VBAVQOHKRBAGON-SECBINFHSA-N 1 2 391.225 2.178 20 0 GEADLO Cc1[nH]cnc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000822339880 653824152 /nfs/dbraw/zinc/82/41/52/653824152.db2.gz MDPJQUDNEYLLPB-UHFFFAOYSA-N 1 2 378.274 2.485 20 0 GEADLO O=C(NCC[C@@H]1CCCS1(=O)=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000883063099 653824530 /nfs/dbraw/zinc/82/45/30/653824530.db2.gz CZQMZXWSYAMCKI-GJZGRUSLSA-N 1 2 385.555 2.152 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)c2cc(Br)cnc2Br)c1 ZINC000822365635 653825556 /nfs/dbraw/zinc/82/55/56/653825556.db2.gz ZDLBRPJKQGSDOB-UHFFFAOYSA-N 1 2 388.063 2.313 20 0 GEADLO Cn1cc(C[NH2+]Cc2c(C3CCC3)cnn2C)c(I)n1 ZINC000895280227 653826292 /nfs/dbraw/zinc/82/62/92/653826292.db2.gz OXRONWDRPUPMHV-UHFFFAOYSA-N 1 2 385.253 2.316 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@]2(CC2(F)F)C1 ZINC000844912855 653828995 /nfs/dbraw/zinc/82/89/95/653828995.db2.gz QBGONXUMJRTVMU-HOTGVXAUSA-N 1 2 375.485 2.025 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000895403758 653832804 /nfs/dbraw/zinc/83/28/04/653832804.db2.gz WOGZNWGCZSNEAN-UPJWGTAASA-N 1 2 382.473 2.186 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000895403758 653832810 /nfs/dbraw/zinc/83/28/10/653832810.db2.gz WOGZNWGCZSNEAN-UPJWGTAASA-N 1 2 382.473 2.186 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000895402369 653832940 /nfs/dbraw/zinc/83/29/40/653832940.db2.gz LEIDBQGZVUCFBS-UHFFFAOYSA-N 1 2 395.248 2.250 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000895402369 653832941 /nfs/dbraw/zinc/83/29/41/653832941.db2.gz LEIDBQGZVUCFBS-UHFFFAOYSA-N 1 2 395.248 2.250 20 0 GEADLO C[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCNC3=O)c2cccc(Br)c21 ZINC000883303203 653834839 /nfs/dbraw/zinc/83/48/39/653834839.db2.gz RJAGBRGBVLLOQN-JOYOIKCWSA-N 1 2 376.258 2.122 20 0 GEADLO O=C1NCCn2c(C[NH2+][C@H](c3ccc(Br)cc3)C3CC3)nnc21 ZINC000883303789 653834872 /nfs/dbraw/zinc/83/48/72/653834872.db2.gz GQMXMTKGPMOZRU-AWEZNQCLSA-N 1 2 376.258 2.025 20 0 GEADLO CC(C)N1CC[NH+](CCCOC(=O)c2scnc2Br)CC1 ZINC000792134348 653836030 /nfs/dbraw/zinc/83/60/30/653836030.db2.gz IDKWXFVZZBLZNV-UHFFFAOYSA-N 1 2 376.320 2.479 20 0 GEADLO CC(C)(COc1ncccc1Br)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866839703 653836290 /nfs/dbraw/zinc/83/62/90/653836290.db2.gz JLMASMGALSWKET-GQCTYLIASA-N 1 2 398.301 2.006 20 0 GEADLO CC(C)N1CC[NH+](CCCOC(=O)c2nc(Br)cs2)CC1 ZINC000792168941 653836576 /nfs/dbraw/zinc/83/65/76/653836576.db2.gz JUVAXMBAOIXJFI-UHFFFAOYSA-N 1 2 376.320 2.479 20 0 GEADLO C[NH+](C)Cc1csc(CNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)n1 ZINC000895484212 653837564 /nfs/dbraw/zinc/83/75/64/653837564.db2.gz GWCVAVMLIJHSPP-UHFFFAOYSA-N 1 2 394.444 2.483 20 0 GEADLO COc1nccnc1C[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000883386619 653838384 /nfs/dbraw/zinc/83/83/84/653838384.db2.gz JRTKMTTXOMGTHW-CYBMUJFWSA-N 1 2 377.242 2.291 20 0 GEADLO CCn1nc(C)c(C[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)n1 ZINC000883387459 653838462 /nfs/dbraw/zinc/83/84/62/653838462.db2.gz YGBWJSCKZYGWCO-AWEZNQCLSA-N 1 2 378.274 2.412 20 0 GEADLO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3nc(Br)nn3C)C2)cc1C ZINC000895501944 653838459 /nfs/dbraw/zinc/83/84/59/653838459.db2.gz LQMIOKFFDCZSOS-CYBMUJFWSA-N 1 2 378.274 2.477 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)s1 ZINC000822828267 653841955 /nfs/dbraw/zinc/84/19/55/653841955.db2.gz YIUYKKTYZQDJGP-KRWDZBQOSA-N 1 2 384.498 2.231 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)s1 ZINC000822828267 653841959 /nfs/dbraw/zinc/84/19/59/653841959.db2.gz YIUYKKTYZQDJGP-KRWDZBQOSA-N 1 2 384.498 2.231 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NCC[C@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000883488866 653843355 /nfs/dbraw/zinc/84/33/55/653843355.db2.gz XCVCDQDSTCQEKA-HZPDHXFCSA-N 1 2 387.933 2.209 20 0 GEADLO COc1cc(/C=C/C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc(Br)c1O ZINC000822952262 653847077 /nfs/dbraw/zinc/84/70/77/653847077.db2.gz PTTDBAHFZFWQMT-PCAWENJQSA-N 1 2 399.285 2.013 20 0 GEADLO COc1cc(/C=C/C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc(Br)c1O ZINC000822952262 653847084 /nfs/dbraw/zinc/84/70/84/653847084.db2.gz PTTDBAHFZFWQMT-PCAWENJQSA-N 1 2 399.285 2.013 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1snc(Cl)c1Cl ZINC000845468216 653849965 /nfs/dbraw/zinc/84/99/65/653849965.db2.gz OJKGCLHWJSYKDU-UHFFFAOYSA-N 1 2 376.269 2.231 20 0 GEADLO C[C@H]1C[C@H](NS(=O)(=O)N=S2(=O)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000866929751 653851136 /nfs/dbraw/zinc/85/11/36/653851136.db2.gz HRAOTMFORMCADF-DOTOQJQBSA-N 1 2 385.555 2.136 20 0 GEADLO C[C@H]1C[C@H](NS(=O)(=O)N=S2(=O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000866929751 653851138 /nfs/dbraw/zinc/85/11/38/653851138.db2.gz HRAOTMFORMCADF-DOTOQJQBSA-N 1 2 385.555 2.136 20 0 GEADLO O=C(NCc1cscc1Cl)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000884089080 653862780 /nfs/dbraw/zinc/86/27/80/653862780.db2.gz DXOOTRTUZBWHOE-HNNXBMFYSA-N 1 2 375.947 2.409 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000793251384 653872191 /nfs/dbraw/zinc/87/21/91/653872191.db2.gz QSKNYTUENFPAJR-CYBMUJFWSA-N 1 2 392.253 2.321 20 0 GEADLO O=C(NC1CC([NH+]2CCOCC2)C1)c1cc(F)cc(Br)c1F ZINC000823627326 653874666 /nfs/dbraw/zinc/87/46/66/653874666.db2.gz MMLYPLDIOFUGNR-UHFFFAOYSA-N 1 2 375.213 2.320 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CSCN3C(=O)OC(C)(C)C)sc2C1 ZINC000823676464 653876372 /nfs/dbraw/zinc/87/63/72/653876372.db2.gz CAZLQUXLDRPKQJ-NSHDSACASA-N 1 2 384.527 2.380 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CSCN3C(=O)OC(C)(C)C)sc2C1 ZINC000823676464 653876374 /nfs/dbraw/zinc/87/63/74/653876374.db2.gz CAZLQUXLDRPKQJ-NSHDSACASA-N 1 2 384.527 2.380 20 0 GEADLO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896526030 653882167 /nfs/dbraw/zinc/88/21/67/653882167.db2.gz FHDRUTXLOBFYEV-XYQSWSQNSA-N 1 2 392.341 2.085 20 0 GEADLO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@@H]1CN(C)CC[N@H+]1C ZINC000896526030 653882169 /nfs/dbraw/zinc/88/21/69/653882169.db2.gz FHDRUTXLOBFYEV-XYQSWSQNSA-N 1 2 392.341 2.085 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H](O)c1cccc(Br)c1 ZINC000846087729 653886652 /nfs/dbraw/zinc/88/66/52/653886652.db2.gz XZXYOPJQNOZCKH-HNNXBMFYSA-N 1 2 378.270 2.374 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H](O)c1cccc(Br)c1 ZINC000846097328 653886996 /nfs/dbraw/zinc/88/69/96/653886996.db2.gz XZXYOPJQNOZCKH-OAHLLOKOSA-N 1 2 378.270 2.374 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)/C=C\c1ccc(Br)o1)C2 ZINC000846125529 653887939 /nfs/dbraw/zinc/88/79/39/653887939.db2.gz QACWGIAOMBMYKJ-DJFZKKHWSA-N 1 2 394.269 2.226 20 0 GEADLO CSc1c(F)cccc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000824349314 653892553 /nfs/dbraw/zinc/89/25/53/653892553.db2.gz NAHCDFPMZOKVFQ-UHFFFAOYSA-N 1 2 389.518 2.178 20 0 GEADLO O=C(Nc1cc(Cl)cc(Br)c1O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896836923 653896615 /nfs/dbraw/zinc/89/66/15/653896615.db2.gz RASCGOZKMRZHDN-SNVBAGLBSA-N 1 2 375.650 2.467 20 0 GEADLO C[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)C[C@H]1CS(N)(=O)=O ZINC000896896530 653898511 /nfs/dbraw/zinc/89/85/11/653898511.db2.gz JXZZILWIQVWIDG-MNOVXSKESA-N 1 2 384.299 2.358 20 0 GEADLO Cc1[nH]c(CNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)[nH+]c1C ZINC000896923713 653899735 /nfs/dbraw/zinc/89/97/35/653899735.db2.gz PBCAFYKUYKHJHT-CQSZACIVSA-N 1 2 391.269 2.458 20 0 GEADLO COC(=O)c1ccoc1S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000867240342 653901451 /nfs/dbraw/zinc/90/14/51/653901451.db2.gz BUNUGMILBZCFSL-CQSZACIVSA-N 1 2 386.857 2.301 20 0 GEADLO CC(C)(C)OC(=O)NCC[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)C(F)F ZINC000824677869 653904935 /nfs/dbraw/zinc/90/49/35/653904935.db2.gz KIFTUDHCLIORFX-XQQFMLRXSA-N 1 2 384.489 2.480 20 0 GEADLO O=C(COC(=O)[C@H]1CC1(Cl)Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000794402095 653907386 /nfs/dbraw/zinc/90/73/86/653907386.db2.gz BTEUOSZWHMQHQO-GFCCVEGCSA-N 1 2 377.293 2.129 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cccc(Br)n2)C1)C1CC1 ZINC000794570333 653912024 /nfs/dbraw/zinc/91/20/24/653912024.db2.gz XIWPLFSMMJRQBJ-LBPRGKRZSA-N 1 2 388.331 2.138 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cccc(Br)n2)C1)C1CC1 ZINC000794570333 653912026 /nfs/dbraw/zinc/91/20/26/653912026.db2.gz XIWPLFSMMJRQBJ-LBPRGKRZSA-N 1 2 388.331 2.138 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000824951707 653913192 /nfs/dbraw/zinc/91/31/92/653913192.db2.gz YZNVEVJMRLLLMO-NEPJUHHUSA-N 1 2 385.306 2.202 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000824951707 653913194 /nfs/dbraw/zinc/91/31/94/653913194.db2.gz YZNVEVJMRLLLMO-NEPJUHHUSA-N 1 2 385.306 2.202 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)c3nccnc3c2)[C@@H](C)CO1 ZINC000824949365 653913234 /nfs/dbraw/zinc/91/32/34/653913234.db2.gz KEPUFMMUJSYHDP-NWDGAFQWSA-N 1 2 393.285 2.231 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)c3nccnc3c2)[C@@H](C)CO1 ZINC000824949365 653913237 /nfs/dbraw/zinc/91/32/37/653913237.db2.gz KEPUFMMUJSYHDP-NWDGAFQWSA-N 1 2 393.285 2.231 20 0 GEADLO Ic1cnn2c1CN(Cc1cccc3[nH+]ccn31)CC2 ZINC000897291705 653915001 /nfs/dbraw/zinc/91/50/01/653915001.db2.gz ZAFVJOHLIBCJQE-UHFFFAOYSA-N 1 2 379.205 2.151 20 0 GEADLO COC(=O)[C@@H]1[C@@H](C[NH2+]C2(c3ncc(Br)cn3)CCC2)C1(F)F ZINC000897351364 653917329 /nfs/dbraw/zinc/91/73/29/653917329.db2.gz CPJVNOCXRHFLBM-ZJUUUORDSA-N 1 2 376.201 2.262 20 0 GEADLO O=C(COCCc1ccc(Br)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000897448299 653921872 /nfs/dbraw/zinc/92/18/72/653921872.db2.gz IEANQNBZMTWREX-OAHLLOKOSA-N 1 2 378.270 2.336 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCCc1ccc(Br)cc1 ZINC000897444776 653922172 /nfs/dbraw/zinc/92/21/72/653922172.db2.gz RFICITHPEPGSRQ-HNNXBMFYSA-N 1 2 394.269 2.326 20 0 GEADLO CN(Cc1cscc1Br)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000897512864 653925224 /nfs/dbraw/zinc/92/52/24/653925224.db2.gz BYQHFCQAHRIVCR-UHFFFAOYSA-N 1 2 399.314 2.262 20 0 GEADLO O=S1(=O)C[C@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C[C@H]2C1 ZINC000897619547 653931224 /nfs/dbraw/zinc/93/12/24/653931224.db2.gz YGUZGSYFNMIEEF-OKILXGFUSA-N 1 2 396.310 2.111 20 0 GEADLO O=S1(=O)C[C@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C[C@H]2C1 ZINC000897619547 653931226 /nfs/dbraw/zinc/93/12/26/653931226.db2.gz YGUZGSYFNMIEEF-OKILXGFUSA-N 1 2 396.310 2.111 20 0 GEADLO O=C1NC(=O)C2(C[NH+](Cc3ccc(-c4cccc(Br)c4)o3)C2)N1 ZINC000897906886 653943500 /nfs/dbraw/zinc/94/35/00/653943500.db2.gz DGMXBIQUQJCSFV-UHFFFAOYSA-N 1 2 376.210 2.103 20 0 GEADLO O=S(=O)(Cc1ccc(F)cc1Cl)N1CCC([NH+]2CCOCC2)CC1 ZINC000867566016 653952696 /nfs/dbraw/zinc/95/26/96/653952696.db2.gz AGRITVLNJTWODK-UHFFFAOYSA-N 1 2 376.881 2.106 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)cc(Br)c1C ZINC000898081978 653952844 /nfs/dbraw/zinc/95/28/44/653952844.db2.gz YIUJFYVLXKKVFI-ZDUSSCGKSA-N 1 2 384.205 2.065 20 0 GEADLO C[C@](CO)([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1cccc(Br)c1 ZINC000898168600 653956588 /nfs/dbraw/zinc/95/65/88/653956588.db2.gz KJRQFHZVJCMZFQ-DLBZAZTESA-N 1 2 395.301 2.217 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1nc(Cl)sc1Cl)C2 ZINC000848057720 653957547 /nfs/dbraw/zinc/95/75/47/653957547.db2.gz ZJTULVYFTZPQRD-MRVPVSSYSA-N 1 2 375.281 2.234 20 0 GEADLO CCOC(=O)N1C[C@H]([NH2+]Cc2nc(Cl)ccc2Br)[C@@H](CO)C1 ZINC000898349731 653964104 /nfs/dbraw/zinc/96/41/04/653964104.db2.gz CGHGBMBXZXRGMM-SKDRFNHKSA-N 1 2 392.681 2.036 20 0 GEADLO O=c1cc(CN2CC[NH+](CCSC(F)(F)F)CC2)nc2sccn21 ZINC000885948773 653964371 /nfs/dbraw/zinc/96/43/71/653964371.db2.gz FFWOUAIOBWLALK-UHFFFAOYSA-N 1 2 378.445 2.127 20 0 GEADLO CO[C@@H](C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000795751775 653965089 /nfs/dbraw/zinc/96/50/89/653965089.db2.gz ZHAUZMOUNAAYRK-ZBEGNZNMSA-N 1 2 384.274 2.140 20 0 GEADLO CO[C@@H](C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000795751775 653965090 /nfs/dbraw/zinc/96/50/90/653965090.db2.gz ZHAUZMOUNAAYRK-ZBEGNZNMSA-N 1 2 384.274 2.140 20 0 GEADLO Cc1cccc(C[N@H+]2CC[C@H](NS(=O)(=O)c3nc[nH]c3Br)C2)c1 ZINC000867650603 653968267 /nfs/dbraw/zinc/96/82/67/653968267.db2.gz HXFBZFDPECALDS-ZDUSSCGKSA-N 1 2 399.314 2.033 20 0 GEADLO C[C@H](CNC(=O)c1c(Br)nc2n1CCCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848292363 653969209 /nfs/dbraw/zinc/96/92/09/653969209.db2.gz FAIYKRNVAJFZQX-UPJWGTAASA-N 1 2 399.333 2.209 20 0 GEADLO C[C@H](CNC(=O)c1c(Br)nc2n1CCCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848292363 653969214 /nfs/dbraw/zinc/96/92/14/653969214.db2.gz FAIYKRNVAJFZQX-UPJWGTAASA-N 1 2 399.333 2.209 20 0 GEADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccccc1I ZINC000898484716 653972512 /nfs/dbraw/zinc/97/25/12/653972512.db2.gz VYBRJIRPTANBDT-LLVKDONJSA-N 1 2 376.213 2.455 20 0 GEADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccccc1I ZINC000898484716 653972518 /nfs/dbraw/zinc/97/25/18/653972518.db2.gz VYBRJIRPTANBDT-LLVKDONJSA-N 1 2 376.213 2.455 20 0 GEADLO CC(C)(C)OC(=O)N1CC(N2C[C@@H]([NH2+]Cc3ncc(Cl)s3)CC2=O)C1 ZINC000898528380 653975561 /nfs/dbraw/zinc/97/55/61/653975561.db2.gz JCOGTLRMKWNIMI-JTQLQIEISA-N 1 2 386.905 2.106 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000898659641 653979304 /nfs/dbraw/zinc/97/93/04/653979304.db2.gz HWDNGUVVIAPLAJ-UHFFFAOYSA-N 1 2 383.279 2.397 20 0 GEADLO COC(=O)[C@](C)(NC(=O)Cc1[nH]c[nH+]c1C)c1cccc(Br)c1 ZINC000886434767 653985497 /nfs/dbraw/zinc/98/54/97/653985497.db2.gz MZKNNKMUPFSRRY-MRXNPFEDSA-N 1 2 380.242 2.228 20 0 GEADLO CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000827316411 653985793 /nfs/dbraw/zinc/98/57/93/653985793.db2.gz AGFFCSCJZHEQBI-ZDUSSCGKSA-N 1 2 380.432 2.173 20 0 GEADLO COc1cc(S(=O)(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cnc1Cl ZINC000796115305 653987043 /nfs/dbraw/zinc/98/70/43/653987043.db2.gz WZJKMPBGVWWLGR-UHFFFAOYSA-N 1 2 381.885 2.249 20 0 GEADLO COc1cc(S(=O)(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cnc1Cl ZINC000796115305 653987047 /nfs/dbraw/zinc/98/70/47/653987047.db2.gz WZJKMPBGVWWLGR-UHFFFAOYSA-N 1 2 381.885 2.249 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CCCOc1cccc(Br)c1 ZINC000898880783 653990580 /nfs/dbraw/zinc/99/05/80/653990580.db2.gz FLACSJYDUQEXBQ-AWEZNQCLSA-N 1 2 382.258 2.191 20 0 GEADLO O=c1[nH]ccn2c(C[NH2+][C@@H]3CCCOc4cc(Br)ccc43)nnc12 ZINC000886703601 653995262 /nfs/dbraw/zinc/99/52/62/653995262.db2.gz YVVDKUSZIMDNRD-GFCCVEGCSA-N 1 2 390.241 2.184 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)C1(c2ccc(Br)cc2)CC1 ZINC000899053364 653997165 /nfs/dbraw/zinc/99/71/65/653997165.db2.gz LQOONICNLJUDLN-UHFFFAOYSA-N 1 2 395.297 2.046 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)C1(c2ccc(Br)cc2)CC1 ZINC000899053364 653997169 /nfs/dbraw/zinc/99/71/69/653997169.db2.gz LQOONICNLJUDLN-UHFFFAOYSA-N 1 2 395.297 2.046 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886809347 654001084 /nfs/dbraw/zinc/00/10/84/654001084.db2.gz ZMHJEBMETRMNFG-OAHLLOKOSA-N 1 2 381.416 2.106 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886809347 654001086 /nfs/dbraw/zinc/00/10/86/654001086.db2.gz ZMHJEBMETRMNFG-OAHLLOKOSA-N 1 2 381.416 2.106 20 0 GEADLO COc1cccc([C@@H]2CN(C(=O)c3ncc(Br)cn3)CC[NH2+]2)c1 ZINC000827942229 654013592 /nfs/dbraw/zinc/01/35/92/654013592.db2.gz AKYADRJIXUZIKB-AWEZNQCLSA-N 1 2 377.242 2.034 20 0 GEADLO O=C(N[C@@H]1COc2cccc(Br)c2C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000828027030 654016674 /nfs/dbraw/zinc/01/66/74/654016674.db2.gz LODTXRFYFCWMBV-RYUDHWBXSA-N 1 2 376.254 2.328 20 0 GEADLO CNC(=O)C1([NH2+]Cc2ncc(-c3ccc(Br)cc3)o2)CCOCC1 ZINC000887086271 654019855 /nfs/dbraw/zinc/01/98/55/654019855.db2.gz CLRRNFQHNVPWNC-UHFFFAOYSA-N 1 2 394.269 2.489 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)c1ncc(Br)cn1 ZINC000828234126 654030012 /nfs/dbraw/zinc/03/00/12/654030012.db2.gz LNXJNGVKDFHBIB-UHFFFAOYSA-N 1 2 394.298 2.117 20 0 GEADLO [NH3+][C@@H](c1nc(C[C@H]2CCCO2)no1)c1ccccc1I ZINC000899997718 654046566 /nfs/dbraw/zinc/04/65/66/654046566.db2.gz FCWUSRFRVUHVIB-NOZJJQNGSA-N 1 2 385.205 2.444 20 0 GEADLO CC(C)n1ncc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1Br ZINC000868631513 654047030 /nfs/dbraw/zinc/04/70/30/654047030.db2.gz JZJAZPLMKCZTLY-CYBMUJFWSA-N 1 2 385.306 2.163 20 0 GEADLO C[C@@H](O)CC[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000829120672 654060137 /nfs/dbraw/zinc/06/01/37/654060137.db2.gz KWKYTDUUDUKXPG-GFCCVEGCSA-N 1 2 394.331 2.075 20 0 GEADLO C[C@@H](O)CC[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000829120672 654060141 /nfs/dbraw/zinc/06/01/41/654060141.db2.gz KWKYTDUUDUKXPG-GFCCVEGCSA-N 1 2 394.331 2.075 20 0 GEADLO C[N@H+](CC[S@](C)=O)Cc1cccc(Br)c1OCC(C)(C)O ZINC000829140709 654060736 /nfs/dbraw/zinc/06/07/36/654060736.db2.gz TYFLARHKGQHMMQ-NRFANRHFSA-N 1 2 378.332 2.409 20 0 GEADLO C[N@@H+](CC[S@](C)=O)Cc1cccc(Br)c1OCC(C)(C)O ZINC000829140709 654060744 /nfs/dbraw/zinc/06/07/44/654060744.db2.gz TYFLARHKGQHMMQ-NRFANRHFSA-N 1 2 378.332 2.409 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@]1(C)CC1(Br)Br ZINC000849969344 654064231 /nfs/dbraw/zinc/06/42/31/654064231.db2.gz ZLNBZSCDFQJRGN-KOLCDFICSA-N 1 2 385.096 2.146 20 0 GEADLO O=C(c1cc2ncc(Br)cn2n1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000900563182 654070016 /nfs/dbraw/zinc/07/00/16/654070016.db2.gz OZGOCWFCLIJBNU-GFCCVEGCSA-N 1 2 375.230 2.166 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)NCc1nc2ccc(Br)cc2o1 ZINC000869171744 654074562 /nfs/dbraw/zinc/07/45/62/654074562.db2.gz QFORDZGRTQEYFV-UPHRSURJSA-N 1 2 380.242 2.095 20 0 GEADLO Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)s1 ZINC000900800159 654081155 /nfs/dbraw/zinc/08/11/55/654081155.db2.gz BMELSXAEGRCYNL-JSGCOSHPSA-N 1 2 378.567 2.473 20 0 GEADLO Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)s1 ZINC000900800159 654081158 /nfs/dbraw/zinc/08/11/58/654081158.db2.gz BMELSXAEGRCYNL-JSGCOSHPSA-N 1 2 378.567 2.473 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900812172 654082440 /nfs/dbraw/zinc/08/24/40/654082440.db2.gz SKHNXSLXJUPGJD-MWLCHTKSSA-N 1 2 396.504 2.356 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000900812172 654082444 /nfs/dbraw/zinc/08/24/44/654082444.db2.gz SKHNXSLXJUPGJD-MWLCHTKSSA-N 1 2 396.504 2.356 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000869341822 654088721 /nfs/dbraw/zinc/08/87/21/654088721.db2.gz XFZYRKBCWRXUFO-UHFFFAOYSA-N 1 2 390.281 2.254 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(Br)c2nccnc2c1 ZINC000830163032 654102481 /nfs/dbraw/zinc/10/24/81/654102481.db2.gz STXVADKBOQTTSK-CYBMUJFWSA-N 1 2 393.285 2.233 20 0 GEADLO COCC[N@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1cc(Br)cs1 ZINC000917151505 654114593 /nfs/dbraw/zinc/11/45/93/654114593.db2.gz QBOOGNATGBLCSP-LBPRGKRZSA-N 1 2 391.331 2.206 20 0 GEADLO COCC[N@@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1cc(Br)cs1 ZINC000917151505 654114595 /nfs/dbraw/zinc/11/45/95/654114595.db2.gz QBOOGNATGBLCSP-LBPRGKRZSA-N 1 2 391.331 2.206 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1[nH]nc2cnc(Br)cc21 ZINC000869770193 654121115 /nfs/dbraw/zinc/12/11/15/654121115.db2.gz LNGGJRZXRLWMIT-UHFFFAOYSA-N 1 2 375.230 2.434 20 0 GEADLO O=S(=O)(C1CC[NH+](Cn2ccc(-c3ccsc3)n2)CC1)N1CCCC1 ZINC000799958096 654122922 /nfs/dbraw/zinc/12/29/22/654122922.db2.gz PNFNYMJKIOCXJG-UHFFFAOYSA-N 1 2 380.539 2.459 20 0 GEADLO CCOC1CC(CNC(=O)C[C@]2(C)CC2(Cl)Cl)([NH+]2CCOCC2)C1 ZINC000830558176 654126985 /nfs/dbraw/zinc/12/69/85/654126985.db2.gz NXQRGDZNHNHHEW-OGVSOVDVSA-N 1 2 379.328 2.347 20 0 GEADLO CN(C)c1[nH+]cc(C[NH2+][C@](C)(C(=O)[O-])c2cccc(Br)c2)n1C ZINC000901621748 654135571 /nfs/dbraw/zinc/13/55/71/654135571.db2.gz KAAAJSJPKCYQGN-INIZCTEOSA-N 1 2 381.274 2.338 20 0 GEADLO O=C(CCc1ccc(Cl)cc1Cl)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870072890 654142560 /nfs/dbraw/zinc/14/25/60/654142560.db2.gz LSRZKAAUQQRKRB-MRXNPFEDSA-N 1 2 387.307 2.486 20 0 GEADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCc1ncc(Br)cn1 ZINC000889713520 654160752 /nfs/dbraw/zinc/16/07/52/654160752.db2.gz QUGSUZSEMOCMHI-VIFPVBQESA-N 1 2 378.152 2.246 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+](C)Cc1c(=O)c(OC)c[nH]c1CO ZINC000902028886 654162128 /nfs/dbraw/zinc/16/21/28/654162128.db2.gz RBWLCKXCYVMQSG-UHFFFAOYSA-N 1 2 397.269 2.279 20 0 GEADLO COc1ccc(Br)cc1C[N@H+](C)Cc1c(=O)c(OC)c[nH]c1CO ZINC000902028886 654162133 /nfs/dbraw/zinc/16/21/33/654162133.db2.gz RBWLCKXCYVMQSG-UHFFFAOYSA-N 1 2 397.269 2.279 20 0 GEADLO Cc1cc(C(=O)NC2CC[NH+](CCn3cnc(Br)n3)CC2)c(C)o1 ZINC000851749217 654174415 /nfs/dbraw/zinc/17/44/15/654174415.db2.gz WAAHUKYMUNQONT-UHFFFAOYSA-N 1 2 396.289 2.145 20 0 GEADLO CC(C)(CO)[NH+]1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000831278284 654176450 /nfs/dbraw/zinc/17/64/50/654176450.db2.gz IAEMFBQCHXXBCE-UHFFFAOYSA-N 1 2 391.256 2.456 20 0 GEADLO O=C1N[C@H](C2CC[NH+](CN3Cc4ccc(Br)cc4C3=O)CC2)CO1 ZINC000902522439 654181285 /nfs/dbraw/zinc/18/12/85/654181285.db2.gz XCBRZYURUOGGTB-HNNXBMFYSA-N 1 2 394.269 2.183 20 0 GEADLO C[C@@H](CNC(=O)c1nnc(-c2ccns2)o1)[N@@H+]1CCc2sccc2C1 ZINC000902798640 654198239 /nfs/dbraw/zinc/19/82/39/654198239.db2.gz YQRYNXZVXRIBLU-JTQLQIEISA-N 1 2 375.479 2.431 20 0 GEADLO C[C@@H](CNC(=O)c1nnc(-c2ccns2)o1)[N@H+]1CCc2sccc2C1 ZINC000902798640 654198242 /nfs/dbraw/zinc/19/82/42/654198242.db2.gz YQRYNXZVXRIBLU-JTQLQIEISA-N 1 2 375.479 2.431 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1Cl ZINC000920011140 654199543 /nfs/dbraw/zinc/19/95/43/654199543.db2.gz SNAKLEVFURBSRY-WCQYABFASA-N 1 2 380.341 2.214 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1Cl ZINC000920011140 654199547 /nfs/dbraw/zinc/19/95/47/654199547.db2.gz SNAKLEVFURBSRY-WCQYABFASA-N 1 2 380.341 2.214 20 0 GEADLO O=C(NCC[N@H+]1CC[C@H](O)C1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902960659 654205502 /nfs/dbraw/zinc/20/55/02/654205502.db2.gz ZNMXXBACSPMMOT-VIFPVBQESA-N 1 2 387.736 2.028 20 0 GEADLO O=C(NCC[N@@H+]1CC[C@H](O)C1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902960659 654205507 /nfs/dbraw/zinc/20/55/07/654205507.db2.gz ZNMXXBACSPMMOT-VIFPVBQESA-N 1 2 387.736 2.028 20 0 GEADLO COC(=O)CCN1CCC[C@@H]([N@@H+]2Cc3ccc(Br)cc3C2)C1=O ZINC000851940284 654207284 /nfs/dbraw/zinc/20/72/84/654207284.db2.gz YAHAHAYOPKIUCH-OAHLLOKOSA-N 1 2 381.270 2.319 20 0 GEADLO COC(=O)CCN1CCC[C@@H]([N@H+]2Cc3ccc(Br)cc3C2)C1=O ZINC000851940284 654207289 /nfs/dbraw/zinc/20/72/89/654207289.db2.gz YAHAHAYOPKIUCH-OAHLLOKOSA-N 1 2 381.270 2.319 20 0 GEADLO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@]1(F)CCS(=O)(=O)C1 ZINC000902991770 654207955 /nfs/dbraw/zinc/20/79/55/654207955.db2.gz AUQKWCXHVZCHNO-KRWDZBQOSA-N 1 2 386.514 2.009 20 0 GEADLO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000851967364 654209321 /nfs/dbraw/zinc/20/93/21/654209321.db2.gz YOSLZUZLODVBCZ-XJKSGUPXSA-N 1 2 375.358 2.138 20 0 GEADLO CCOP(=O)(OCC)[C@@H](O)C[N@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000851967364 654209324 /nfs/dbraw/zinc/20/93/24/654209324.db2.gz YOSLZUZLODVBCZ-XJKSGUPXSA-N 1 2 375.358 2.138 20 0 GEADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H]2CC2(Cl)Cl)C1 ZINC000851970424 654209911 /nfs/dbraw/zinc/20/99/11/654209911.db2.gz WHAHQLQALFJHHD-HOTGVXAUSA-N 1 2 385.339 2.296 20 0 GEADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H]2CC2(Cl)Cl)C1 ZINC000851970424 654209914 /nfs/dbraw/zinc/20/99/14/654209914.db2.gz WHAHQLQALFJHHD-HOTGVXAUSA-N 1 2 385.339 2.296 20 0 GEADLO CC1(C)OC[C@@H](C[NH+]2CCC(O)(c3scnc3Br)CC2)O1 ZINC000852006746 654212189 /nfs/dbraw/zinc/21/21/89/654212189.db2.gz SIEZNOJCVXYDGS-SNVBAGLBSA-N 1 2 377.304 2.341 20 0 GEADLO C[C@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000852126911 654219956 /nfs/dbraw/zinc/21/99/56/654219956.db2.gz IZAUCTRBIIFSQN-MKBNYLNASA-N 1 2 390.311 2.435 20 0 GEADLO Cc1cc(NS(=O)(=O)c2cnn(C)c2Br)ccc1C[NH+](C)C ZINC000903159665 654222512 /nfs/dbraw/zinc/22/25/12/654222512.db2.gz KQIBLHPNSBICPJ-UHFFFAOYSA-N 1 2 387.303 2.353 20 0 GEADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000802241168 654223775 /nfs/dbraw/zinc/22/37/75/654223775.db2.gz JZYBALMCHBHSNM-QWHCGFSZSA-N 1 2 399.260 2.389 20 0 GEADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000802241168 654223779 /nfs/dbraw/zinc/22/37/79/654223779.db2.gz JZYBALMCHBHSNM-QWHCGFSZSA-N 1 2 399.260 2.389 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000920936117 654229522 /nfs/dbraw/zinc/22/95/22/654229522.db2.gz GBWQZYXMPXHZNL-LLVKDONJSA-N 1 2 380.436 2.114 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCc1cc(Br)ccc1Cl ZINC000921040015 654232621 /nfs/dbraw/zinc/23/26/21/654232621.db2.gz DCPAHEQLDNROTI-UHFFFAOYSA-N 1 2 378.679 2.419 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)n1 ZINC000921092592 654235395 /nfs/dbraw/zinc/23/53/95/654235395.db2.gz GTNSNZOXCNFSQQ-UHFFFAOYSA-N 1 2 380.417 2.097 20 0 GEADLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000852432462 654239285 /nfs/dbraw/zinc/23/92/85/654239285.db2.gz ZMVIZCCQVINSPI-VIFPVBQESA-N 1 2 383.202 2.119 20 0 GEADLO O=C1OCCN1[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000852432462 654239290 /nfs/dbraw/zinc/23/92/90/654239290.db2.gz ZMVIZCCQVINSPI-VIFPVBQESA-N 1 2 383.202 2.119 20 0 GEADLO Cn1nc(C2CC2)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000903498141 654241961 /nfs/dbraw/zinc/24/19/61/654241961.db2.gz ZUGXWBWSBOLHRC-MRXNPFEDSA-N 1 2 380.901 2.286 20 0 GEADLO CN(C)S(=O)(=O)c1cc(C(=O)OCCCc2[nH+]ccn2C)ccc1Cl ZINC000802783428 654242035 /nfs/dbraw/zinc/24/20/35/654242035.db2.gz RLKOXVZRGSCRLT-UHFFFAOYSA-N 1 2 385.873 2.113 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000852495433 654244631 /nfs/dbraw/zinc/24/46/31/654244631.db2.gz KXBMNQSZQPDPHZ-IAQYHMDHSA-N 1 2 381.270 2.336 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000852495433 654244635 /nfs/dbraw/zinc/24/46/35/654244635.db2.gz KXBMNQSZQPDPHZ-IAQYHMDHSA-N 1 2 381.270 2.336 20 0 GEADLO COC(=O)N(C)CC[N@H+](C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000852569539 654248000 /nfs/dbraw/zinc/24/80/00/654248000.db2.gz AHEJTKMDLGLHFB-UHFFFAOYSA-N 1 2 376.284 2.282 20 0 GEADLO COC(=O)N(C)CC[N@@H+](C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000852569539 654248002 /nfs/dbraw/zinc/24/80/02/654248002.db2.gz AHEJTKMDLGLHFB-UHFFFAOYSA-N 1 2 376.284 2.282 20 0 GEADLO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000921415207 654265416 /nfs/dbraw/zinc/26/54/16/654265416.db2.gz HFDDBJFJUCOSRN-SECBINFHSA-N 1 2 383.695 2.094 20 0 GEADLO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000921415207 654265418 /nfs/dbraw/zinc/26/54/18/654265418.db2.gz HFDDBJFJUCOSRN-SECBINFHSA-N 1 2 383.695 2.094 20 0 GEADLO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)cc1Cl ZINC000921412780 654265560 /nfs/dbraw/zinc/26/55/60/654265560.db2.gz VMZGLQSFHTUDST-SNVBAGLBSA-N 1 2 383.297 2.001 20 0 GEADLO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C)cc1Cl ZINC000921412780 654265562 /nfs/dbraw/zinc/26/55/62/654265562.db2.gz VMZGLQSFHTUDST-SNVBAGLBSA-N 1 2 383.297 2.001 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(O)c(Br)c1 ZINC000921525662 654278175 /nfs/dbraw/zinc/27/81/75/654278175.db2.gz VKPSVKBJQZQGJP-CYBMUJFWSA-N 1 2 386.290 2.065 20 0 GEADLO Cc1cc(C)c(CNS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c[nH+]1 ZINC000832634622 654282323 /nfs/dbraw/zinc/28/23/23/654282323.db2.gz RZGZWNPDMCJBIE-UHFFFAOYSA-N 1 2 388.898 2.234 20 0 GEADLO C[N@@H+]1CCN(C(=O)CSc2n[nH]c(=S)s2)C[C@H]1Cc1ccccc1 ZINC000803729983 654288781 /nfs/dbraw/zinc/28/87/81/654288781.db2.gz VVPOTHYHEZABNT-CYBMUJFWSA-N 1 2 380.564 2.304 20 0 GEADLO C[N@H+]1CCN(C(=O)CSc2n[nH]c(=S)s2)C[C@H]1Cc1ccccc1 ZINC000803729983 654288787 /nfs/dbraw/zinc/28/87/87/654288787.db2.gz VVPOTHYHEZABNT-CYBMUJFWSA-N 1 2 380.564 2.304 20 0 GEADLO Cc1nc(C[NH2+]CCNS(=O)(=O)c2ccccc2)sc1Br ZINC000921607853 654291783 /nfs/dbraw/zinc/29/17/83/654291783.db2.gz MFISZCWOGBWREM-UHFFFAOYSA-N 1 2 390.328 2.282 20 0 GEADLO CC(C)(O)C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000871973339 654297121 /nfs/dbraw/zinc/29/71/21/654297121.db2.gz UAUINPHOMNQSOD-ZDUSSCGKSA-N 1 2 375.296 2.273 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000853467408 654297213 /nfs/dbraw/zinc/29/72/13/654297213.db2.gz BYDCJXPPVGUVFX-UHFFFAOYSA-N 1 2 393.285 2.339 20 0 GEADLO O=C(/C=C\c1ccc(I)o1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804335814 654305646 /nfs/dbraw/zinc/30/56/46/654305646.db2.gz FAPYGHRBFOEBME-AYYIZTPMSA-N 1 2 383.189 2.225 20 0 GEADLO O=C1CCCN1C[C@@H]1CC[N@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000853595181 654307423 /nfs/dbraw/zinc/30/74/23/654307423.db2.gz MIPQUYBJUFSAHS-CYBMUJFWSA-N 1 2 377.539 2.121 20 0 GEADLO O=C1CCCN1C[C@@H]1CC[N@@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000853595181 654307426 /nfs/dbraw/zinc/30/74/26/654307426.db2.gz MIPQUYBJUFSAHS-CYBMUJFWSA-N 1 2 377.539 2.121 20 0 GEADLO O=C(NCC(F)(F)F)C1CC[NH+](Cc2ncc(Br)cc2O)CC1 ZINC000891699229 654307584 /nfs/dbraw/zinc/30/75/84/654307584.db2.gz FNMDHTCBLCLUOR-UHFFFAOYSA-N 1 2 396.207 2.440 20 0 GEADLO Cc1nc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)sc1Br ZINC000921735588 654315810 /nfs/dbraw/zinc/31/58/10/654315810.db2.gz NXWWUCKNZOGFKZ-NSHDSACASA-N 1 2 399.236 2.487 20 0 GEADLO Cc1nc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)sc1Br ZINC000921800374 654325659 /nfs/dbraw/zinc/32/56/59/654325659.db2.gz CMDSFGCBEKYREB-KWQFWETISA-N 1 2 384.303 2.231 20 0 GEADLO O=C(NCCSCc1ccnc(Cl)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853984420 654335059 /nfs/dbraw/zinc/33/50/59/654335059.db2.gz HFKOBOLIWABRMG-OAHLLOKOSA-N 1 2 384.933 2.084 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892237561 654335603 /nfs/dbraw/zinc/33/56/03/654335603.db2.gz KYDNAYZPFAKYTA-LLVKDONJSA-N 1 2 375.516 2.219 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892237561 654335606 /nfs/dbraw/zinc/33/56/06/654335606.db2.gz KYDNAYZPFAKYTA-LLVKDONJSA-N 1 2 375.516 2.219 20 0 GEADLO CC(C)OC[C@H]([NH3+])c1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000854150739 654342269 /nfs/dbraw/zinc/34/22/69/654342269.db2.gz WKKNTMJNSFIDTE-NSHDSACASA-N 1 2 383.246 2.438 20 0 GEADLO CC(C)n1cc(Br)c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000905251743 654345061 /nfs/dbraw/zinc/34/50/61/654345061.db2.gz GSDVLGHVQDVPNY-CYBMUJFWSA-N 1 2 385.306 2.163 20 0 GEADLO CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872464231 654345436 /nfs/dbraw/zinc/34/54/36/654345436.db2.gz UAPXKHXGZYYDSE-FYSMJZIKSA-N 1 2 387.571 2.334 20 0 GEADLO CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872464231 654345444 /nfs/dbraw/zinc/34/54/44/654345444.db2.gz UAPXKHXGZYYDSE-FYSMJZIKSA-N 1 2 387.571 2.334 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCc2cc(F)c(Br)cc2C1 ZINC000921970182 654349780 /nfs/dbraw/zinc/34/97/80/654349780.db2.gz HYCFJXSMGWHEAB-UHFFFAOYSA-N 1 2 388.262 2.173 20 0 GEADLO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000905396299 654355518 /nfs/dbraw/zinc/35/55/18/654355518.db2.gz RSBOMIRHOUTYSY-UONOGXRCSA-N 1 2 395.714 2.125 20 0 GEADLO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000905396299 654355520 /nfs/dbraw/zinc/35/55/20/654355520.db2.gz RSBOMIRHOUTYSY-UONOGXRCSA-N 1 2 395.714 2.125 20 0 GEADLO COC[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc(Cl)c1F ZINC000834890304 654355553 /nfs/dbraw/zinc/35/55/53/654355553.db2.gz LJFJYAZVLCUDKI-OAHLLOKOSA-N 1 2 379.881 2.350 20 0 GEADLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc(Br)cc1OCCCO ZINC000854573580 654367514 /nfs/dbraw/zinc/36/75/14/654367514.db2.gz BFNODHRUPAKUDZ-NSHDSACASA-N 1 2 382.258 2.353 20 0 GEADLO O[C@@]1(CNc2[nH+]cnc3c2cnn3-c2cccc(Br)c2)CCOC1 ZINC000892978499 654373642 /nfs/dbraw/zinc/37/36/42/654373642.db2.gz AEYPSWZXKAREJT-MRXNPFEDSA-N 1 2 390.241 2.141 20 0 GEADLO CO[C@@H]1CC[N@H+](CN2C(=O)C[C@]3(CCc4cc(Br)ccc43)C2=O)C1 ZINC000872588472 654375815 /nfs/dbraw/zinc/37/58/15/654375815.db2.gz GYBZPEHWFACGTP-KDOFPFPSSA-N 1 2 393.281 2.070 20 0 GEADLO CO[C@@H]1CC[N@@H+](CN2C(=O)C[C@]3(CCc4cc(Br)ccc43)C2=O)C1 ZINC000872588472 654375819 /nfs/dbraw/zinc/37/58/19/654375819.db2.gz GYBZPEHWFACGTP-KDOFPFPSSA-N 1 2 393.281 2.070 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000922513420 654399069 /nfs/dbraw/zinc/39/90/69/654399069.db2.gz SAFZUQFOLZTTGJ-ZDUSSCGKSA-N 1 2 377.242 2.093 20 0 GEADLO COc1cc(Br)cc(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c1 ZINC000922675355 654407008 /nfs/dbraw/zinc/40/70/08/654407008.db2.gz MQDXDLYMQSYKBG-GFCCVEGCSA-N 1 2 381.274 2.376 20 0 GEADLO CN(C)c1cc(N2CCC(O)(c3scnc3Br)CC2)nc[nH+]1 ZINC000893650588 654413722 /nfs/dbraw/zinc/41/37/22/654413722.db2.gz ILNYPUWZYRPUAF-UHFFFAOYSA-N 1 2 384.303 2.250 20 0 GEADLO CN(C)c1cc(N2CCC(O)(c3scnc3Br)CC2)[nH+]cn1 ZINC000893650588 654413725 /nfs/dbraw/zinc/41/37/25/654413725.db2.gz ILNYPUWZYRPUAF-UHFFFAOYSA-N 1 2 384.303 2.250 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)CC2(Br)Br)[C@H](C)CO1 ZINC000855407514 654417058 /nfs/dbraw/zinc/41/70/58/654417058.db2.gz MIZBHMPTVQDVPX-FOGDFJRCSA-N 1 2 398.139 2.108 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)CC2(Br)Br)[C@H](C)CO1 ZINC000855407514 654417060 /nfs/dbraw/zinc/41/70/60/654417060.db2.gz MIZBHMPTVQDVPX-FOGDFJRCSA-N 1 2 398.139 2.108 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C)CC2(Br)Br)[C@@H](C)CO1 ZINC000855407515 654417135 /nfs/dbraw/zinc/41/71/35/654417135.db2.gz MIZBHMPTVQDVPX-HOSYDEDBSA-N 1 2 398.139 2.108 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C)CC2(Br)Br)[C@@H](C)CO1 ZINC000855407515 654417138 /nfs/dbraw/zinc/41/71/38/654417138.db2.gz MIZBHMPTVQDVPX-HOSYDEDBSA-N 1 2 398.139 2.108 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cnn(C(C)(C)C)c2Br)[C@H](C)CO1 ZINC000855406277 654417156 /nfs/dbraw/zinc/41/71/56/654417156.db2.gz COSBUPRHGLEPFJ-VXGBXAGGSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cnn(C(C)(C)C)c2Br)[C@H](C)CO1 ZINC000855406277 654417168 /nfs/dbraw/zinc/41/71/68/654417168.db2.gz COSBUPRHGLEPFJ-VXGBXAGGSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@]12CC[N@H+](Cc3cnc(N)cn3)C[C@H]1C2(Br)Br ZINC000873214153 654422897 /nfs/dbraw/zinc/42/28/97/654422897.db2.gz ZEPASBWDRRTJCF-KOLCDFICSA-N 1 2 376.096 2.387 20 0 GEADLO C[C@]12CC[N@@H+](Cc3cnc(N)cn3)C[C@H]1C2(Br)Br ZINC000873214153 654422900 /nfs/dbraw/zinc/42/29/00/654422900.db2.gz ZEPASBWDRRTJCF-KOLCDFICSA-N 1 2 376.096 2.387 20 0 GEADLO O=C(NC1CC[NH+](Cc2sc(N3CCOCC3)nc2Cl)CC1)C1CC1 ZINC000893919489 654431698 /nfs/dbraw/zinc/43/16/98/654431698.db2.gz JZGFMOXUOLWORO-UHFFFAOYSA-N 1 2 384.933 2.124 20 0 GEADLO Cn1nccc1[C@H]1CCC[N@H+](Cc2c(I)cnn2C)C1 ZINC000893969570 654435244 /nfs/dbraw/zinc/43/52/44/654435244.db2.gz VWCFTZHOIOFZSF-NSHDSACASA-N 1 2 385.253 2.138 20 0 GEADLO Cn1nccc1[C@H]1CCC[N@@H+](Cc2c(I)cnn2C)C1 ZINC000893969570 654435250 /nfs/dbraw/zinc/43/52/50/654435250.db2.gz VWCFTZHOIOFZSF-NSHDSACASA-N 1 2 385.253 2.138 20 0 GEADLO Cn1nc2c(c1C[N@H+](CCO)Cc1cc(Br)cs1)COCC2 ZINC000894024036 654439661 /nfs/dbraw/zinc/43/96/61/654439661.db2.gz VDMVGTPFIWTLJZ-UHFFFAOYSA-N 1 2 386.315 2.311 20 0 GEADLO Cn1nc2c(c1C[N@@H+](CCO)Cc1cc(Br)cs1)COCC2 ZINC000894024036 654439666 /nfs/dbraw/zinc/43/96/66/654439666.db2.gz VDMVGTPFIWTLJZ-UHFFFAOYSA-N 1 2 386.315 2.311 20 0 GEADLO C[C@@H]1CCN(Cc2c(I)cnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000894095692 654446480 /nfs/dbraw/zinc/44/64/80/654446480.db2.gz SKAFWZYSPCJMAT-YPMHNXCESA-N 1 2 385.253 2.304 20 0 GEADLO C[C@H]1CCN(Cc2c(I)cnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000894095689 654446684 /nfs/dbraw/zinc/44/66/84/654446684.db2.gz SKAFWZYSPCJMAT-AAEUAGOBSA-N 1 2 385.253 2.304 20 0 GEADLO NC(=O)[C@H]([NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2)c1cccc(Br)c1 ZINC000894150647 654450661 /nfs/dbraw/zinc/45/06/61/654450661.db2.gz DJEOETJNZJYCJW-MELADBBJSA-N 1 2 387.249 2.199 20 0 GEADLO C[C@H]([NH2+]Cc1nc(Br)nn1C)c1cccc(N2CCOC2=O)c1 ZINC000894204039 654455635 /nfs/dbraw/zinc/45/56/35/654455635.db2.gz HMXJVIPIOUXLJM-JTQLQIEISA-N 1 2 380.246 2.385 20 0 GEADLO CN1CC[N@H+](C[C@@H]2C[C@]2(C)Br)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000894284235 654462203 /nfs/dbraw/zinc/46/22/03/654462203.db2.gz JAIPBMQQLVFSDK-ZENOOKHLSA-N 1 2 376.339 2.301 20 0 GEADLO CN1CC[N@@H+](C[C@@H]2C[C@]2(C)Br)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000894284235 654462207 /nfs/dbraw/zinc/46/22/07/654462207.db2.gz JAIPBMQQLVFSDK-ZENOOKHLSA-N 1 2 376.339 2.301 20 0 GEADLO O=C(NCc1cnc(Br)cn1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000923557538 654468826 /nfs/dbraw/zinc/46/88/26/654468826.db2.gz UDQLTFFKFJGFLR-UHFFFAOYSA-N 1 2 391.273 2.420 20 0 GEADLO Cn1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(I)n1 ZINC000894374224 654470896 /nfs/dbraw/zinc/47/08/96/654470896.db2.gz FFFUFEMABNQKIB-NEPJUHHUSA-N 1 2 377.270 2.254 20 0 GEADLO Cn1cc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(I)n1 ZINC000894374224 654470900 /nfs/dbraw/zinc/47/09/00/654470900.db2.gz FFFUFEMABNQKIB-NEPJUHHUSA-N 1 2 377.270 2.254 20 0 GEADLO CCOC(=O)c1cc(C[NH2+]CC(=O)Nc2ccc(Br)cc2)on1 ZINC000894377318 654471335 /nfs/dbraw/zinc/47/13/35/654471335.db2.gz ZPQUEXDJMQZAEQ-UHFFFAOYSA-N 1 2 382.214 2.342 20 0 GEADLO O=C(OCc1nc(Cl)ccc1Cl)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923776070 654483295 /nfs/dbraw/zinc/48/32/95/654483295.db2.gz WQCDRMBWFHXYFW-RISCZKNCSA-N 1 2 375.252 2.311 20 0 GEADLO Cn1nc(Br)nc1CNC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000894562474 654486668 /nfs/dbraw/zinc/48/66/68/654486668.db2.gz OSNGRCCXOYCWDY-AWEZNQCLSA-N 1 2 396.358 2.285 20 0 GEADLO Cn1nc(Br)nc1CNC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000894562474 654486675 /nfs/dbraw/zinc/48/66/75/654486675.db2.gz OSNGRCCXOYCWDY-AWEZNQCLSA-N 1 2 396.358 2.285 20 0 GEADLO CC(C)[N@@H+](Cc1nc(Br)nn1C)C[C@H](O)COc1ccccc1 ZINC000894573667 654487494 /nfs/dbraw/zinc/48/74/94/654487494.db2.gz VDNTZXIIQFLJKV-ZDUSSCGKSA-N 1 2 383.290 2.228 20 0 GEADLO CC(C)[N@H+](Cc1nc(Br)nn1C)C[C@H](O)COc1ccccc1 ZINC000894573667 654487495 /nfs/dbraw/zinc/48/74/95/654487495.db2.gz VDNTZXIIQFLJKV-ZDUSSCGKSA-N 1 2 383.290 2.228 20 0 GEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3cncc(Cl)c3)CC2)cc1 ZINC000856732481 654487863 /nfs/dbraw/zinc/48/78/63/654487863.db2.gz SBDLKIZTWITHJG-UHFFFAOYSA-N 1 2 380.901 2.429 20 0 GEADLO O=S(=O)(CC[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21)c1ccc(Cl)cc1 ZINC000856790060 654494595 /nfs/dbraw/zinc/49/45/95/654494595.db2.gz UVFAGEKPKCLOHF-QGZVFWFLSA-N 1 2 399.921 2.373 20 0 GEADLO FC(F)CN1CCC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894780078 654498419 /nfs/dbraw/zinc/49/84/19/654498419.db2.gz WKXQQKGDFYRPIN-UHFFFAOYSA-N 1 2 380.892 2.406 20 0 GEADLO FC(F)CN1CCC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894780078 654498423 /nfs/dbraw/zinc/49/84/23/654498423.db2.gz WKXQQKGDFYRPIN-UHFFFAOYSA-N 1 2 380.892 2.406 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CCO1 ZINC000924129554 654501725 /nfs/dbraw/zinc/50/17/25/654501725.db2.gz HSDLBWHSOVFEIN-BXUZGUMPSA-N 1 2 397.269 2.139 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CCO1 ZINC000924129554 654501728 /nfs/dbraw/zinc/50/17/28/654501728.db2.gz HSDLBWHSOVFEIN-BXUZGUMPSA-N 1 2 397.269 2.139 20 0 GEADLO Cn1cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c(I)n1 ZINC000894851794 654502423 /nfs/dbraw/zinc/50/24/23/654502423.db2.gz QPYJYBVJBNSMBF-CYBMUJFWSA-N 1 2 375.254 2.273 20 0 GEADLO Cn1cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c(I)n1 ZINC000894851794 654502427 /nfs/dbraw/zinc/50/24/27/654502427.db2.gz QPYJYBVJBNSMBF-CYBMUJFWSA-N 1 2 375.254 2.273 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)oc1Cl ZINC000907041571 654502877 /nfs/dbraw/zinc/50/28/77/654502877.db2.gz GFYPBQOFMNNMGK-ZYHUDNBSSA-N 1 2 387.845 2.188 20 0 GEADLO Cn1c(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc2cc(Br)cnc21 ZINC000924197743 654505916 /nfs/dbraw/zinc/50/59/16/654505916.db2.gz XZLUPENSAJKWPU-OKILXGFUSA-N 1 2 394.269 2.356 20 0 GEADLO Cn1c(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc2cc(Br)cnc21 ZINC000924197743 654505921 /nfs/dbraw/zinc/50/59/21/654505921.db2.gz XZLUPENSAJKWPU-OKILXGFUSA-N 1 2 394.269 2.356 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)c1nc(Cc2ccc(Br)nc2)no1 ZINC000924234776 654508154 /nfs/dbraw/zinc/50/81/54/654508154.db2.gz XQSFCLUQIAGGHS-UHFFFAOYSA-N 1 2 381.274 2.428 20 0 GEADLO C[C@H]1CN(C(=O)NCc2nc(C[NH+](C)C)cs2)C[C@@H](CC(F)(F)F)O1 ZINC000924785608 654524785 /nfs/dbraw/zinc/52/47/85/654524785.db2.gz ONMUKNSNYFIUAB-CMPLNLGQSA-N 1 2 380.436 2.456 20 0 GEADLO Cc1ncc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1C ZINC000907353864 654535058 /nfs/dbraw/zinc/53/50/58/654535058.db2.gz AYIDOEJRSSTBTI-UHFFFAOYSA-N 1 2 376.258 2.420 20 0 GEADLO CC1(C)COCC[N@@H+]1CCN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O ZINC000925294128 654540034 /nfs/dbraw/zinc/54/00/34/654540034.db2.gz FYXLBBRUAQLXAK-CQSZACIVSA-N 1 2 396.285 2.153 20 0 GEADLO CC1(C)COCC[N@H+]1CCN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O ZINC000925294128 654540038 /nfs/dbraw/zinc/54/00/38/654540038.db2.gz FYXLBBRUAQLXAK-CQSZACIVSA-N 1 2 396.285 2.153 20 0 GEADLO Cc1nonc1[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000926407935 654570637 /nfs/dbraw/zinc/57/06/37/654570637.db2.gz FUNRFFHEYGOEKW-QMMMGPOBSA-N 1 2 379.269 2.314 20 0 GEADLO CN1CCN(S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC[N@H+](C)CC1 ZINC000907789738 654579306 /nfs/dbraw/zinc/57/93/06/654579306.db2.gz JRPUYGVDKUQPBQ-UHFFFAOYSA-N 1 2 399.866 2.227 20 0 GEADLO CN1CCN(S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC[N@@H+](C)CC1 ZINC000907789738 654579310 /nfs/dbraw/zinc/57/93/10/654579310.db2.gz JRPUYGVDKUQPBQ-UHFFFAOYSA-N 1 2 399.866 2.227 20 0 GEADLO CS(=O)(=O)C[C@H](O)C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000927027595 654589874 /nfs/dbraw/zinc/58/98/74/654589874.db2.gz GKQTVOZFYHZQRE-UKRRQHHQSA-N 1 2 388.283 2.127 20 0 GEADLO COc1ccccc1[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccccc1Cl ZINC000927030796 654590158 /nfs/dbraw/zinc/59/01/58/654590158.db2.gz MWHWUFKPQDQSDZ-ACJLOTCBSA-N 1 2 383.897 2.433 20 0 GEADLO COc1ccccc1[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccccc1Cl ZINC000927030799 654590329 /nfs/dbraw/zinc/59/03/29/654590329.db2.gz MWHWUFKPQDQSDZ-UGSOOPFHSA-N 1 2 383.897 2.433 20 0 GEADLO O=C(Cc1c[nH+]c[nH]1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000907967151 654593421 /nfs/dbraw/zinc/59/34/21/654593421.db2.gz KWRLOQQDUWSLST-UHFFFAOYSA-N 1 2 381.249 2.198 20 0 GEADLO O=C(CN1CSCCSC1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000908118631 654605968 /nfs/dbraw/zinc/60/59/68/654605968.db2.gz LOBXUKJFTPHWBT-UHFFFAOYSA-N 1 2 386.612 2.304 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@@H](Cc3nccs3)C2)C1 ZINC000908132382 654607365 /nfs/dbraw/zinc/60/73/65/654607365.db2.gz RGTXLXSVCRKYMY-AWEZNQCLSA-N 1 2 377.535 2.384 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@@H](Cc3nccs3)C2)C1 ZINC000908132382 654607369 /nfs/dbraw/zinc/60/73/69/654607369.db2.gz RGTXLXSVCRKYMY-AWEZNQCLSA-N 1 2 377.535 2.384 20 0 GEADLO Cc1cc(S(C)(=O)=O)cc(C(=O)NCc2nc(C[NH+](C)C)cs2)c1C ZINC000927766946 654613027 /nfs/dbraw/zinc/61/30/27/654613027.db2.gz ZUQMUHVTEAKRSV-UHFFFAOYSA-N 1 2 381.523 2.155 20 0 GEADLO C/C(=C\C(=O)N1CCC[C@@H]1c1ncc(Br)cn1)C[NH+]1CCOCC1 ZINC000928355180 654641774 /nfs/dbraw/zinc/64/17/74/654641774.db2.gz AOSRVGUSGGTLGK-BMQCOBNYSA-N 1 2 395.301 2.181 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(Br)cnc2C)C1 ZINC000909014601 654650141 /nfs/dbraw/zinc/65/01/41/654650141.db2.gz WYIBQPOXONBFOB-LBPRGKRZSA-N 1 2 384.274 2.366 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Br)cnc2C)C1 ZINC000909014601 654650143 /nfs/dbraw/zinc/65/01/43/654650143.db2.gz WYIBQPOXONBFOB-LBPRGKRZSA-N 1 2 384.274 2.366 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1sc(CC(F)(F)F)nc1C ZINC000928633703 654653476 /nfs/dbraw/zinc/65/34/76/654653476.db2.gz BVNFPPPHWPGUDZ-LBPRGKRZSA-N 1 2 379.448 2.326 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000928639423 654653792 /nfs/dbraw/zinc/65/37/92/654653792.db2.gz KTDLPBZJRCAKEV-ZDUSSCGKSA-N 1 2 385.295 2.411 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cn(C(C)(C)C)nc1Br ZINC000928645529 654654184 /nfs/dbraw/zinc/65/41/84/654654184.db2.gz YQGVBFOUOJLZGR-LBPRGKRZSA-N 1 2 387.322 2.241 20 0 GEADLO O=C(CNc1cccc[nH+]1)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000909246645 654656622 /nfs/dbraw/zinc/65/66/22/654656622.db2.gz CVSPMAVRSGIZBH-GFCCVEGCSA-N 1 2 396.260 2.363 20 0 GEADLO O=C(CNc1cccc[nH+]1)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000909246647 654656660 /nfs/dbraw/zinc/65/66/60/654656660.db2.gz CVSPMAVRSGIZBH-LBPRGKRZSA-N 1 2 396.260 2.363 20 0 GEADLO CC(C)(CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)CS(C)(=O)=O ZINC000929319010 654679339 /nfs/dbraw/zinc/67/93/39/654679339.db2.gz IOSJWIFFJHBZLW-UHFFFAOYSA-N 1 2 388.559 2.321 20 0 GEADLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CC[S@](=O)C(F)(F)F ZINC000929348404 654680569 /nfs/dbraw/zinc/68/05/69/654680569.db2.gz QLPSPJVMSQKFAO-QHCPKHFHSA-N 1 2 387.445 2.059 20 0 GEADLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CC[S@](=O)C(F)(F)F ZINC000929348404 654680572 /nfs/dbraw/zinc/68/05/72/654680572.db2.gz QLPSPJVMSQKFAO-QHCPKHFHSA-N 1 2 387.445 2.059 20 0 GEADLO CC[C@](O)(C[N@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1)C(F)(F)F ZINC000929347537 654680617 /nfs/dbraw/zinc/68/06/17/654680617.db2.gz HECHCLZOTNGXIO-HNNXBMFYSA-N 1 2 383.432 2.494 20 0 GEADLO CC[C@](O)(C[N@@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1)C(F)(F)F ZINC000929347537 654680619 /nfs/dbraw/zinc/68/06/19/654680619.db2.gz HECHCLZOTNGXIO-HNNXBMFYSA-N 1 2 383.432 2.494 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)nc1)c1ccsc1 ZINC000930218196 654702294 /nfs/dbraw/zinc/70/22/94/654702294.db2.gz LBOBFFXGGCSBCR-HNNXBMFYSA-N 1 2 381.523 2.360 20 0 GEADLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930300917 654705161 /nfs/dbraw/zinc/70/51/61/654705161.db2.gz RNHYDJMZKLTGSX-OAUYIBNBSA-N 1 2 393.285 2.266 20 0 GEADLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930300917 654705167 /nfs/dbraw/zinc/70/51/67/654705167.db2.gz RNHYDJMZKLTGSX-OAUYIBNBSA-N 1 2 393.285 2.266 20 0 GEADLO CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000930303703 654705424 /nfs/dbraw/zinc/70/54/24/654705424.db2.gz DJWSWRAWYWTQRF-WDEREUQCSA-N 1 2 389.315 2.388 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000930623496 654715408 /nfs/dbraw/zinc/71/54/08/654715408.db2.gz FQROBJGDQMCGLQ-DTJGQCLQSA-N 1 2 386.286 2.227 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000930623496 654715411 /nfs/dbraw/zinc/71/54/11/654715411.db2.gz FQROBJGDQMCGLQ-DTJGQCLQSA-N 1 2 386.286 2.227 20 0 GEADLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(Br)nc1N ZINC000930686870 654716942 /nfs/dbraw/zinc/71/69/42/654716942.db2.gz HSFVGKVHHPJRLM-UHFFFAOYSA-N 1 2 382.306 2.425 20 0 GEADLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(Br)nc1N ZINC000930686870 654716946 /nfs/dbraw/zinc/71/69/46/654716946.db2.gz HSFVGKVHHPJRLM-UHFFFAOYSA-N 1 2 382.306 2.425 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)C2(n3cc(Br)cn3)CC2)c1C ZINC000931215649 654733970 /nfs/dbraw/zinc/73/39/70/654733970.db2.gz JLIBJQHWGBSYSP-UHFFFAOYSA-N 1 2 379.258 2.472 20 0 GEADLO C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H]1CCCS1(=O)=O ZINC000931379861 654740390 /nfs/dbraw/zinc/74/03/90/654740390.db2.gz LHMWZVPKTDEODA-ZFWWWQNUSA-N 1 2 382.309 2.242 20 0 GEADLO C[N@@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H]1CCCS1(=O)=O ZINC000931379861 654740392 /nfs/dbraw/zinc/74/03/92/654740392.db2.gz LHMWZVPKTDEODA-ZFWWWQNUSA-N 1 2 382.309 2.242 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc3nccnc3c2Br)CCO1 ZINC000931389621 654740575 /nfs/dbraw/zinc/74/05/75/654740575.db2.gz HJJGKUQTIVZECR-NSHDSACASA-N 1 2 394.273 2.235 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc3nccnc3c2Br)CCO1 ZINC000931389621 654740579 /nfs/dbraw/zinc/74/05/79/654740579.db2.gz HJJGKUQTIVZECR-NSHDSACASA-N 1 2 394.273 2.235 20 0 GEADLO CS(=O)(=O)c1ccnc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000912104706 654742826 /nfs/dbraw/zinc/74/28/26/654742826.db2.gz XOJYWLCHJCOWTO-UHFFFAOYSA-N 1 2 378.420 2.097 20 0 GEADLO [NH3+][C@@H](CC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)C(F)F ZINC000912380569 654751647 /nfs/dbraw/zinc/75/16/47/654751647.db2.gz IXXHLTVIMGIESR-NSHDSACASA-N 1 2 380.222 2.260 20 0 GEADLO O=C(c1cc(Br)cn2ncnc12)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000931770502 654756464 /nfs/dbraw/zinc/75/64/64/654756464.db2.gz FTGQZCNLGVDBTB-JTQLQIEISA-N 1 2 375.230 2.235 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000931802726 654757750 /nfs/dbraw/zinc/75/77/50/654757750.db2.gz VMDRXGLSFWLKJI-JTQLQIEISA-N 1 2 383.802 2.283 20 0 GEADLO COC(=O)c1cnc(Cl)c(NC(=O)NCc2nc(C[NH+](C)C)cs2)c1 ZINC000932032711 654764542 /nfs/dbraw/zinc/76/45/42/654764542.db2.gz PGQIHLFUETUNJM-UHFFFAOYSA-N 1 2 383.861 2.361 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)c2nccnc2c1)[C@@H](C)[NH+]1CCOCC1 ZINC000932053780 654764828 /nfs/dbraw/zinc/76/48/28/654764828.db2.gz DWPKOLZZDJGOCL-VXGBXAGGSA-N 1 2 393.285 2.231 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)n1 ZINC000932055639 654765018 /nfs/dbraw/zinc/76/50/18/654765018.db2.gz TUJFFTZTIGHIEJ-VXGBXAGGSA-N 1 2 385.306 2.202 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)[C@H](CO)C1 ZINC000912740699 654766085 /nfs/dbraw/zinc/76/60/85/654766085.db2.gz AXMXEXWRHLPESC-JTQLQIEISA-N 1 2 381.192 2.216 20 0 GEADLO C[N@H+]1CCN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)[C@H](CO)C1 ZINC000912740699 654766089 /nfs/dbraw/zinc/76/60/89/654766089.db2.gz AXMXEXWRHLPESC-JTQLQIEISA-N 1 2 381.192 2.216 20 0 GEADLO Cn1c(C(=O)N2CC[N@H+](C)C[C@H]2CO)ccc1-c1ccccc1Br ZINC000912746334 654766098 /nfs/dbraw/zinc/76/60/98/654766098.db2.gz IDZGRTWKBNOGQC-ZDUSSCGKSA-N 1 2 392.297 2.203 20 0 GEADLO Cn1c(C(=O)N2CC[N@@H+](C)C[C@H]2CO)ccc1-c1ccccc1Br ZINC000912746334 654766100 /nfs/dbraw/zinc/76/61/00/654766100.db2.gz IDZGRTWKBNOGQC-ZDUSSCGKSA-N 1 2 392.297 2.203 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)[C@@H](CO)C1 ZINC000912742765 654766136 /nfs/dbraw/zinc/76/61/36/654766136.db2.gz HWZFRLCSNHIKFS-GFCCVEGCSA-N 1 2 378.885 2.030 20 0 GEADLO C[N@H+]1CCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)[C@@H](CO)C1 ZINC000912742765 654766138 /nfs/dbraw/zinc/76/61/38/654766138.db2.gz HWZFRLCSNHIKFS-GFCCVEGCSA-N 1 2 378.885 2.030 20 0 GEADLO Cc1ccc(Br)c(C)c1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912897442 654773844 /nfs/dbraw/zinc/77/38/44/654773844.db2.gz QRZXCJPEAXAZDC-UHFFFAOYSA-N 1 2 383.286 2.245 20 0 GEADLO Cc1ccc(Br)c(C)c1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912897442 654773848 /nfs/dbraw/zinc/77/38/48/654773848.db2.gz QRZXCJPEAXAZDC-UHFFFAOYSA-N 1 2 383.286 2.245 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2cc3cc(Br)cnc3n2C)CC1 ZINC000932487600 654779394 /nfs/dbraw/zinc/77/93/94/654779394.db2.gz WHNNIXSWKAEHJH-UHFFFAOYSA-N 1 2 395.301 2.130 20 0 GEADLO O[C@@H](C[N@@H+]1CCc2cc(Br)c(F)cc2C1)CC1(O)CCOCC1 ZINC000932788936 654790492 /nfs/dbraw/zinc/79/04/92/654790492.db2.gz CXROAOAOILSOCX-CQSZACIVSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@@H](C[N@H+]1CCc2cc(Br)c(F)cc2C1)CC1(O)CCOCC1 ZINC000932788936 654790493 /nfs/dbraw/zinc/79/04/93/654790493.db2.gz CXROAOAOILSOCX-CQSZACIVSA-N 1 2 388.277 2.239 20 0 GEADLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c(Br)c1 ZINC000913442062 654792161 /nfs/dbraw/zinc/79/21/61/654792161.db2.gz BMTHVAJTMMYTCM-WFASDCNBSA-N 1 2 393.285 2.421 20 0 GEADLO O=C(CCOc1ccccc1Br)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913445456 654792210 /nfs/dbraw/zinc/79/22/10/654792210.db2.gz QKIDXMFPZVYIOA-CQSZACIVSA-N 1 2 379.258 2.114 20 0 GEADLO O=C(CCOc1ccccc1Br)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913445455 654792260 /nfs/dbraw/zinc/79/22/60/654792260.db2.gz QKIDXMFPZVYIOA-AWEZNQCLSA-N 1 2 379.258 2.114 20 0 GEADLO O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913444506 654792285 /nfs/dbraw/zinc/79/22/85/654792285.db2.gz XPXGLRDATIXUCZ-HNNXBMFYSA-N 1 2 389.253 2.121 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913447678 654792448 /nfs/dbraw/zinc/79/24/48/654792448.db2.gz SGWMRTBBTDQRLY-XHDPSFHLSA-N 1 2 379.258 2.113 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3cc(Br)c(F)cc3F)CC[NH2+]2)cn1 ZINC000913463981 654794091 /nfs/dbraw/zinc/79/40/91/654794091.db2.gz YXCQYPKLQKIUMH-AWEZNQCLSA-N 1 2 385.212 2.248 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913465661 654794295 /nfs/dbraw/zinc/79/42/95/654794295.db2.gz ACSCWGKWSPZRTM-BLLLJJGKSA-N 1 2 393.285 2.123 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913466015 654794320 /nfs/dbraw/zinc/79/43/20/654794320.db2.gz CIUHDTFRAVSAMQ-SWLSCSKDSA-N 1 2 393.285 2.123 20 0 GEADLO Cc1cc2scc(CC(=O)N3CCO[C@H](C[NH+]4CCOCC4)C3)c2s1 ZINC000913477846 654794755 /nfs/dbraw/zinc/79/47/55/654794755.db2.gz SYOZVJWPZFWWBQ-OAHLLOKOSA-N 1 2 380.535 2.373 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)C[C@@H]1CO ZINC000913556842 654797749 /nfs/dbraw/zinc/79/77/49/654797749.db2.gz MRIGLFOZQQJEQL-CYBMUJFWSA-N 1 2 377.535 2.077 20 0 GEADLO C[N@H+]1CCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)C[C@@H]1CO ZINC000913556842 654797751 /nfs/dbraw/zinc/79/77/51/654797751.db2.gz MRIGLFOZQQJEQL-CYBMUJFWSA-N 1 2 377.535 2.077 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](OC)c1ccc(Br)s1 ZINC000913808905 654810202 /nfs/dbraw/zinc/81/02/02/654810202.db2.gz IZTCLBKLYKMSMN-SMDDNHRTSA-N 1 2 391.331 2.425 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](OC)c1ccc(Br)s1 ZINC000913808905 654810201 /nfs/dbraw/zinc/81/02/01/654810201.db2.gz IZTCLBKLYKMSMN-SMDDNHRTSA-N 1 2 391.331 2.425 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)Cc1ccc(F)cc1Br ZINC000913927040 654816429 /nfs/dbraw/zinc/81/64/29/654816429.db2.gz SKORLPSZEZDUSA-SNVBAGLBSA-N 1 2 376.251 2.293 20 0 GEADLO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)n1 ZINC000933567530 654817113 /nfs/dbraw/zinc/81/71/13/654817113.db2.gz PXJYGDMHUTZMJW-ZDUSSCGKSA-N 1 2 384.527 2.145 20 0 GEADLO Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)n1 ZINC000933567530 654817116 /nfs/dbraw/zinc/81/71/16/654817116.db2.gz PXJYGDMHUTZMJW-ZDUSSCGKSA-N 1 2 384.527 2.145 20 0 GEADLO C[C@](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)(C1CC1)C(F)(F)F ZINC000933593762 654817584 /nfs/dbraw/zinc/81/75/84/654817584.db2.gz VACQSPIACSDBOE-GJZGRUSLSA-N 1 2 381.464 2.225 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933699322 654820594 /nfs/dbraw/zinc/82/05/94/654820594.db2.gz JPWQKRSUTDUZKX-MXWKQRLJSA-N 1 2 394.324 2.177 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933699322 654820598 /nfs/dbraw/zinc/82/05/98/654820598.db2.gz JPWQKRSUTDUZKX-MXWKQRLJSA-N 1 2 394.324 2.177 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CCCS(=O)(=O)C[C@@H]1C)c1ccsc1 ZINC000914065697 654824442 /nfs/dbraw/zinc/82/44/42/654824442.db2.gz CIYOKURWKYWUIK-GOEBONIOSA-N 1 2 387.571 2.350 20 0 GEADLO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000914094505 654826281 /nfs/dbraw/zinc/82/62/81/654826281.db2.gz IUDULPSCYYXXIP-NSHDSACASA-N 1 2 380.388 2.148 20 0 GEADLO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000914094505 654826283 /nfs/dbraw/zinc/82/62/83/654826283.db2.gz IUDULPSCYYXXIP-NSHDSACASA-N 1 2 380.388 2.148 20 0 GEADLO CN(Cc1ncc(Br)cn1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000914167952 654831391 /nfs/dbraw/zinc/83/13/91/654831391.db2.gz CTUVCLAYARYLNS-UHFFFAOYSA-N 1 2 393.289 2.156 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)c2nc(Br)c3ccccn32)CC1 ZINC000933942773 654831589 /nfs/dbraw/zinc/83/15/89/654831589.db2.gz FNSLEHUUKKISAJ-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000914244122 654838397 /nfs/dbraw/zinc/83/83/97/654838397.db2.gz AYGBOSFHPPLSGV-MWLCHTKSSA-N 1 2 380.388 2.052 20 0 GEADLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000914244122 654838401 /nfs/dbraw/zinc/83/84/01/654838401.db2.gz AYGBOSFHPPLSGV-MWLCHTKSSA-N 1 2 380.388 2.052 20 0 GEADLO CCCOc1ccc(Br)cc1C[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000934221408 654839121 /nfs/dbraw/zinc/83/91/21/654839121.db2.gz NJYPZJSGZDOJKN-KRWDZBQOSA-N 1 2 395.301 2.468 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CCSC2(CCC2)C1 ZINC000914328097 654845485 /nfs/dbraw/zinc/84/54/85/654845485.db2.gz GEIPZLQWSLETRC-NVXWUHKLSA-N 1 2 385.599 2.312 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934363618 654845789 /nfs/dbraw/zinc/84/57/89/654845789.db2.gz UGNYXCHRDRIBLC-LLVKDONJSA-N 1 2 386.294 2.213 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c1F ZINC000914351649 654847526 /nfs/dbraw/zinc/84/75/26/654847526.db2.gz MCHHIQIZKACASG-UHFFFAOYSA-N 1 2 390.234 2.039 20 0 GEADLO COc1ncc(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000915066649 654862085 /nfs/dbraw/zinc/86/20/85/654862085.db2.gz UNVXQYNADLSDKN-UHFFFAOYSA-N 1 2 382.511 2.253 20 0 GEADLO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](CO)c1ccccc1I ZINC000934828889 654862590 /nfs/dbraw/zinc/86/25/90/654862590.db2.gz HJOWSPAPHAYQMD-SMDDNHRTSA-N 1 2 390.265 2.075 20 0 GEADLO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](CO)c1ccccc1I ZINC000934829746 654863186 /nfs/dbraw/zinc/86/31/86/654863186.db2.gz SPRRVUFVGIXPRJ-BXUZGUMPSA-N 1 2 390.265 2.170 20 0 GEADLO CCCCS(=O)(=O)CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000935741558 654913941 /nfs/dbraw/zinc/91/39/41/654913941.db2.gz XKTICVDXIVOKGT-UHFFFAOYSA-N 1 2 384.464 2.123 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4cccc(C)c4n3)CC2)C1=O ZINC001164636666 719267821 /nfs/dbraw/zinc/26/78/21/719267821.db2.gz JQPVFZWUTJUFPO-UHFFFAOYSA-N 1 2 382.508 2.303 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4cccc(C)c4n3)CC2)C1=O ZINC001164636666 719267822 /nfs/dbraw/zinc/26/78/22/719267822.db2.gz JQPVFZWUTJUFPO-UHFFFAOYSA-N 1 2 382.508 2.303 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C)c(Cl)cc3C)CC2)C1=O ZINC001164639172 719277071 /nfs/dbraw/zinc/27/70/71/719277071.db2.gz JBLGMXBZIZDXKJ-UHFFFAOYSA-N 1 2 380.920 2.111 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)c(Cl)cc3C)CC2)C1=O ZINC001164639172 719277074 /nfs/dbraw/zinc/27/70/74/719277074.db2.gz JBLGMXBZIZDXKJ-UHFFFAOYSA-N 1 2 380.920 2.111 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)c2ccccc2n1 ZINC001164698749 719851461 /nfs/dbraw/zinc/85/14/61/719851461.db2.gz DNBDBWIYYAQGIS-IIBYNOLFSA-N 1 2 384.480 2.171 20 0 GEADLO CCOc1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164703673 719852868 /nfs/dbraw/zinc/85/28/68/719852868.db2.gz QJEXPWNAFRCHHW-LIRRHRJNSA-N 1 2 397.903 2.366 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2cc(OC)ccc2cn1 ZINC001164705105 719862377 /nfs/dbraw/zinc/86/23/77/719862377.db2.gz SUTNJFRHCUONNR-AVRDEDQJSA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)cc(C(C)C)n1 ZINC001164704237 719878133 /nfs/dbraw/zinc/87/81/33/719878133.db2.gz UOYDAUFUQZVXFH-OXQOHEQNSA-N 1 2 376.501 2.141 20 0 GEADLO Cc1cc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc(Cl)n1 ZINC001164829769 720398237 /nfs/dbraw/zinc/39/82/37/720398237.db2.gz OEGYHQYVSQWCPC-UHFFFAOYSA-N 1 2 394.817 2.230 20 0 GEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3occc31)C2 ZINC001164829084 720428857 /nfs/dbraw/zinc/42/88/57/720428857.db2.gz ZNKYERDNBJYGOW-MRXNPFEDSA-N 1 2 397.479 2.014 20 0 GEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3ccoc31)C2 ZINC001164826309 720436483 /nfs/dbraw/zinc/43/64/83/720436483.db2.gz VQSRYJZNGCSPPK-KRWDZBQOSA-N 1 2 397.479 2.014 20 0 GEADLO Cc1nc(C(C)C)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912394 721770211 /nfs/dbraw/zinc/77/02/11/721770211.db2.gz LLVYEGVFAFKBRZ-QFIPXVFZSA-N 1 2 397.523 2.411 20 0 GEADLO Cc1nc(C(C)C)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912394 721770213 /nfs/dbraw/zinc/77/02/13/721770213.db2.gz LLVYEGVFAFKBRZ-QFIPXVFZSA-N 1 2 397.523 2.411 20 0 GEADLO CC(C)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164912736 721778429 /nfs/dbraw/zinc/77/84/29/721778429.db2.gz PCJWAAXKXPEVPN-NRFANRHFSA-N 1 2 383.496 2.103 20 0 GEADLO CC(C)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164912736 721778439 /nfs/dbraw/zinc/77/84/39/721778439.db2.gz PCJWAAXKXPEVPN-NRFANRHFSA-N 1 2 383.496 2.103 20 0 GEADLO c1ccc2nnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc2c1 ZINC001164916051 721783774 /nfs/dbraw/zinc/78/37/74/721783774.db2.gz OLKSBAQGDOEJHN-QFIPXVFZSA-N 1 2 391.475 2.133 20 0 GEADLO c1ccc2nnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc2c1 ZINC001164916051 721783776 /nfs/dbraw/zinc/78/37/76/721783776.db2.gz OLKSBAQGDOEJHN-QFIPXVFZSA-N 1 2 391.475 2.133 20 0 GEADLO CNC(=O)c1nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)ccc1Cl ZINC001164918866 721817071 /nfs/dbraw/zinc/81/70/71/721817071.db2.gz WFMOGMGSBOWWGY-UHFFFAOYSA-N 1 2 388.903 2.041 20 0 GEADLO COc1ccc2c(cc[nH+]c2N2CCN(Cc3nc(OC)cc(OC)n3)CC2)c1 ZINC001165031209 721846523 /nfs/dbraw/zinc/84/65/23/721846523.db2.gz YDWTYLMAKCAZLW-UHFFFAOYSA-N 1 2 395.463 2.373 20 0 GEADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165039379 721907279 /nfs/dbraw/zinc/90/72/79/721907279.db2.gz SKFWOSCGHRSONL-LBPRGKRZSA-N 1 2 389.830 2.368 20 0 GEADLO CN1CCN(c2ncnc3c2CCN(c2ccc4c([nH+]2)CCCC4)CC3)CC1 ZINC001164996811 722232429 /nfs/dbraw/zinc/23/24/29/722232429.db2.gz JVJSRYGTLRZLLN-UHFFFAOYSA-N 1 2 378.524 2.107 20 0 GEADLO O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000151562023 531511325 /nfs/dbraw/zinc/51/13/25/531511325.db2.gz ASUCTZDKKRLLKQ-OAHLLOKOSA-N 1 2 392.297 2.452 20 0 GEADLO O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000151562023 531511329 /nfs/dbraw/zinc/51/13/29/531511329.db2.gz ASUCTZDKKRLLKQ-OAHLLOKOSA-N 1 2 392.297 2.452 20 0 GEADLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000151463365 531504284 /nfs/dbraw/zinc/50/42/84/531504284.db2.gz KQFXWIYDWSKNBX-UHFFFAOYSA-N 1 2 397.722 2.055 20 0 GEADLO C[C@H](NC(=O)C[N@H+](C)CC(=O)NC(C)(C)C)c1ccc(Br)cc1 ZINC000007660217 531541671 /nfs/dbraw/zinc/54/16/71/531541671.db2.gz XOGYCQDRVQRZLN-LBPRGKRZSA-N 1 2 384.318 2.473 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](C)CC(=O)NC(C)(C)C)c1ccc(Br)cc1 ZINC000007660217 531541673 /nfs/dbraw/zinc/54/16/73/531541673.db2.gz XOGYCQDRVQRZLN-LBPRGKRZSA-N 1 2 384.318 2.473 20 0 GEADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000152487358 531553624 /nfs/dbraw/zinc/55/36/24/531553624.db2.gz LBTYIKVKWCHTHX-PXAZEXFGSA-N 1 2 381.270 2.360 20 0 GEADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCN1C(=O)CCC1=O ZINC000152487358 531553631 /nfs/dbraw/zinc/55/36/31/531553631.db2.gz LBTYIKVKWCHTHX-PXAZEXFGSA-N 1 2 381.270 2.360 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1sccc1S(=O)(=O)C(F)F ZINC000152500270 531556431 /nfs/dbraw/zinc/55/64/31/531556431.db2.gz XTOJRJKTZWIDDM-SNVBAGLBSA-N 1 2 387.433 2.148 20 0 GEADLO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1I ZINC000152777419 531568806 /nfs/dbraw/zinc/56/88/06/531568806.db2.gz LFIZRXYDPDCPFU-VXGBXAGGSA-N 1 2 388.249 2.465 20 0 GEADLO C[C@@H](O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1I ZINC000152777419 531568812 /nfs/dbraw/zinc/56/88/12/531568812.db2.gz LFIZRXYDPDCPFU-VXGBXAGGSA-N 1 2 388.249 2.465 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cncc(I)c1 ZINC000153160980 531591068 /nfs/dbraw/zinc/59/10/68/531591068.db2.gz DQFUSMBKHYCIJB-CYBMUJFWSA-N 1 2 394.216 2.090 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C[C@@H](C)[NH2+]1 ZINC000153161058 531592229 /nfs/dbraw/zinc/59/22/29/531592229.db2.gz XDCURVRZYGWNRC-CHWSQXEVSA-N 1 2 379.507 2.371 20 0 GEADLO COc1ccc(Br)cc1CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000022592076 531592800 /nfs/dbraw/zinc/59/28/00/531592800.db2.gz DXEIXTMFIUZMDI-ZDUSSCGKSA-N 1 2 396.329 2.242 20 0 GEADLO O=C(Cc1cn2ccsc2n1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023435956 531598414 /nfs/dbraw/zinc/59/84/14/531598414.db2.gz KHBRXFPXGRPEEF-CQSZACIVSA-N 1 2 376.507 2.190 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000154764993 531630504 /nfs/dbraw/zinc/63/05/04/531630504.db2.gz IVCGESYRNOBOQT-CABCVRRESA-N 1 2 382.346 2.380 20 0 GEADLO Cc1ccc(S(=O)(=O)NCCNc2cc(N3CCCCC3)nc[nH+]2)s1 ZINC000154704559 531627318 /nfs/dbraw/zinc/62/73/18/531627318.db2.gz NABFLFONDKRPCQ-UHFFFAOYSA-N 1 2 381.527 2.227 20 0 GEADLO Cc1ccc(S(=O)(=O)NCCNc2cc(N3CCCCC3)[nH+]cn2)s1 ZINC000154704559 531627323 /nfs/dbraw/zinc/62/73/23/531627323.db2.gz NABFLFONDKRPCQ-UHFFFAOYSA-N 1 2 381.527 2.227 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000030131889 531632963 /nfs/dbraw/zinc/63/29/63/531632963.db2.gz WPKODOUZKJBQRT-UHFFFAOYSA-N 1 2 387.933 2.381 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CCc2ccc(Cl)s2)CC1 ZINC000154864757 531637509 /nfs/dbraw/zinc/63/75/09/531637509.db2.gz FDCCIHVBEKTWSZ-CQSZACIVSA-N 1 2 383.945 2.489 20 0 GEADLO O=C(CCNS(=O)(=O)c1cccs1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000030608302 531639449 /nfs/dbraw/zinc/63/94/49/531639449.db2.gz NWTMQRIWYQPUHE-UHFFFAOYSA-N 1 2 376.463 2.241 20 0 GEADLO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000154896301 531640012 /nfs/dbraw/zinc/64/00/12/531640012.db2.gz OGVRYFFMQUUJPY-CQSZACIVSA-N 1 2 392.297 2.452 20 0 GEADLO O=C(Cc1c[nH]c2cccc(Br)c12)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000154896301 531640017 /nfs/dbraw/zinc/64/00/17/531640017.db2.gz OGVRYFFMQUUJPY-CQSZACIVSA-N 1 2 392.297 2.452 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000042535327 531668962 /nfs/dbraw/zinc/66/89/62/531668962.db2.gz RUKXMVDUECIFTH-LLVKDONJSA-N 1 2 380.242 2.164 20 0 GEADLO CCNc1nnc(S[C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000042536888 531669544 /nfs/dbraw/zinc/66/95/44/531669544.db2.gz BLKDPFSRMCNSQY-LBPRGKRZSA-N 1 2 378.527 2.194 20 0 GEADLO Cc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1Cl ZINC000032411151 531651441 /nfs/dbraw/zinc/65/14/41/531651441.db2.gz PQIRBBVOHVHYHL-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO O=S(=O)(NCc1cc[nH+]c(N2CCOCC2)c1)c1cccc(Cl)c1F ZINC000032418558 531652051 /nfs/dbraw/zinc/65/20/51/531652051.db2.gz RDVKSWRZOPUOGY-UHFFFAOYSA-N 1 2 385.848 2.189 20 0 GEADLO C[C@H](Cc1cccs1)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000155120192 531658815 /nfs/dbraw/zinc/65/88/15/531658815.db2.gz MJTDSUXDNVDKJN-CQSZACIVSA-N 1 2 380.535 2.444 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000155202475 531663340 /nfs/dbraw/zinc/66/33/40/531663340.db2.gz FWDIONZZJBWUJU-HNNXBMFYSA-N 1 2 391.269 2.067 20 0 GEADLO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](NS(C)(=O)=O)C3)cs2)cc1 ZINC000041622206 531665473 /nfs/dbraw/zinc/66/54/73/531665473.db2.gz FTHJRDRXNWVROP-AWEZNQCLSA-N 1 2 381.523 2.332 20 0 GEADLO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](NS(C)(=O)=O)C3)cs2)cc1 ZINC000041622206 531665481 /nfs/dbraw/zinc/66/54/81/531665481.db2.gz FTHJRDRXNWVROP-AWEZNQCLSA-N 1 2 381.523 2.332 20 0 GEADLO CC(C)([NH2+]Cc1csc(CS(C)(=O)=O)n1)C(=O)NCC1CCCCC1 ZINC000155326355 531676926 /nfs/dbraw/zinc/67/69/26/531676926.db2.gz QRDODYUXLWQIKB-UHFFFAOYSA-N 1 2 387.571 2.252 20 0 GEADLO COc1ccc(OC)c(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000044790432 531687975 /nfs/dbraw/zinc/68/79/75/531687975.db2.gz WFNMMGBHMIVCMC-UHFFFAOYSA-N 1 2 381.841 2.483 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000044903526 531688271 /nfs/dbraw/zinc/68/82/71/531688271.db2.gz FZYIFPIDVUNHLG-LBPRGKRZSA-N 1 2 391.269 2.194 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc(I)c1 ZINC000045959466 531697005 /nfs/dbraw/zinc/69/70/05/531697005.db2.gz QPMVSQDESPUZFW-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO O=C(C[N@@H+](Cc1cccc(Br)c1)C1CC1)NCC(=O)N1CCCC1 ZINC000046600257 531706455 /nfs/dbraw/zinc/70/64/55/531706455.db2.gz OFZSOBNCJWJIIL-UHFFFAOYSA-N 1 2 394.313 2.152 20 0 GEADLO O=C(C[N@H+](Cc1cccc(Br)c1)C1CC1)NCC(=O)N1CCCC1 ZINC000046600257 531706469 /nfs/dbraw/zinc/70/64/69/531706469.db2.gz OFZSOBNCJWJIIL-UHFFFAOYSA-N 1 2 394.313 2.152 20 0 GEADLO CC(C)CNC(=O)NC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911292 531723766 /nfs/dbraw/zinc/72/37/66/531723766.db2.gz QEQNIVAHHFJAPN-GOEBONIOSA-N 1 2 388.295 2.365 20 0 GEADLO CC(C)CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911292 531723776 /nfs/dbraw/zinc/72/37/76/531723776.db2.gz QEQNIVAHHFJAPN-GOEBONIOSA-N 1 2 388.295 2.365 20 0 GEADLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000047975859 531726608 /nfs/dbraw/zinc/72/66/08/531726608.db2.gz MQKRUGATSRSQGM-UHFFFAOYSA-N 1 2 382.873 2.304 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCc1ccc(Br)s1 ZINC000048385172 531730890 /nfs/dbraw/zinc/73/08/90/531730890.db2.gz PMHWRTNSYJPXOZ-LLVKDONJSA-N 1 2 376.320 2.073 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(C)nn(Cc3ccccc3)c2Cl)C1 ZINC000156084381 531713553 /nfs/dbraw/zinc/71/35/53/531713553.db2.gz DHEBJUKUCBEJLW-HNNXBMFYSA-N 1 2 382.917 2.017 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2Cl)C1 ZINC000156084381 531713560 /nfs/dbraw/zinc/71/35/60/531713560.db2.gz DHEBJUKUCBEJLW-HNNXBMFYSA-N 1 2 382.917 2.017 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000047595165 531717543 /nfs/dbraw/zinc/71/75/43/531717543.db2.gz JYBXYZWDLQMQGS-XJKSGUPXSA-N 1 2 387.933 2.209 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000047595163 531717672 /nfs/dbraw/zinc/71/76/72/531717672.db2.gz JYBXYZWDLQMQGS-CZUORRHYSA-N 1 2 387.933 2.209 20 0 GEADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000156167905 531719044 /nfs/dbraw/zinc/71/90/44/531719044.db2.gz ZLPMUWKYDWLGLP-GFCCVEGCSA-N 1 2 380.279 2.496 20 0 GEADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000157209913 531734415 /nfs/dbraw/zinc/73/44/15/531734415.db2.gz ZDWYNSWRDMQXQJ-WWGRRREGSA-N 1 2 385.302 2.098 20 0 GEADLO C[C@@H](O)C[C@H]1COCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000157209913 531734425 /nfs/dbraw/zinc/73/44/25/531734425.db2.gz ZDWYNSWRDMQXQJ-WWGRRREGSA-N 1 2 385.302 2.098 20 0 GEADLO CCS(=O)(=O)N1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000052111032 531748012 /nfs/dbraw/zinc/74/80/12/531748012.db2.gz PAHMFDLJYBNRBO-UHFFFAOYSA-N 1 2 380.432 2.442 20 0 GEADLO CC(=O)N1CCC(NC(=O)C[N@@H+](C)Cc2ccc(Br)s2)CC1 ZINC000053149341 531757033 /nfs/dbraw/zinc/75/70/33/531757033.db2.gz UIMXFVXMGGJJPE-UHFFFAOYSA-N 1 2 388.331 2.070 20 0 GEADLO CC(=O)N1CCC(NC(=O)C[N@H+](C)Cc2ccc(Br)s2)CC1 ZINC000053149341 531757040 /nfs/dbraw/zinc/75/70/40/531757040.db2.gz UIMXFVXMGGJJPE-UHFFFAOYSA-N 1 2 388.331 2.070 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[NH2+][C@@H](c2ncc(C)s2)C2CC2)n1 ZINC000158085521 531765696 /nfs/dbraw/zinc/76/56/96/531765696.db2.gz ZPXWDGJJGSTVSF-CQSZACIVSA-N 1 2 380.495 2.303 20 0 GEADLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000054985620 531781478 /nfs/dbraw/zinc/78/14/78/531781478.db2.gz YUOWDNBVOROBTH-AWEZNQCLSA-N 1 2 381.270 2.463 20 0 GEADLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000054985620 531781492 /nfs/dbraw/zinc/78/14/92/531781492.db2.gz YUOWDNBVOROBTH-AWEZNQCLSA-N 1 2 381.270 2.463 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C)c2Br)CC1 ZINC000158273084 531773011 /nfs/dbraw/zinc/77/30/11/531773011.db2.gz AWPBTLXIZSYEFJ-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(C)c2Br)CC1 ZINC000158273084 531773015 /nfs/dbraw/zinc/77/30/15/531773015.db2.gz AWPBTLXIZSYEFJ-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO CSc1ccc(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000056944771 531814878 /nfs/dbraw/zinc/81/48/78/531814878.db2.gz LPSLEQZAGBEGDV-GOSISDBHSA-N 1 2 381.567 2.416 20 0 GEADLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000162156780 531834838 /nfs/dbraw/zinc/83/48/38/531834838.db2.gz KKQHWTRJUQJOBP-UHFFFAOYSA-N 1 2 380.214 2.282 20 0 GEADLO Cn1c2ccc(NC(=O)CS[C@H]3CCS(=O)(=O)C3)cc2[nH+]c1C1CC1 ZINC000162115471 531836318 /nfs/dbraw/zinc/83/63/18/531836318.db2.gz HOVAKSKNAWSBSP-ZDUSSCGKSA-N 1 2 379.507 2.310 20 0 GEADLO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC[NH+](CC2CC2)CC1 ZINC000162211259 531839348 /nfs/dbraw/zinc/83/93/48/531839348.db2.gz DKKROJVSNYCYCE-UHFFFAOYSA-N 1 2 395.269 2.444 20 0 GEADLO CN(C1CC[NH+](Cc2cc(Br)ccc2F)CC1)S(C)(=O)=O ZINC000058926161 531839701 /nfs/dbraw/zinc/83/97/01/531839701.db2.gz HZDQIOSXKGMNCR-UHFFFAOYSA-N 1 2 379.295 2.444 20 0 GEADLO CC(C)[N@@H+]1CCC[C@H](CNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000063739028 531861168 /nfs/dbraw/zinc/86/11/68/531861168.db2.gz SYOBTIWHPCFHNR-CQSZACIVSA-N 1 2 388.555 2.026 20 0 GEADLO CC(C)[N@H+]1CCC[C@H](CNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000063739028 531861169 /nfs/dbraw/zinc/86/11/69/531861169.db2.gz SYOBTIWHPCFHNR-CQSZACIVSA-N 1 2 388.555 2.026 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000063759986 531861955 /nfs/dbraw/zinc/86/19/55/531861955.db2.gz WBTLOKALXLKXDP-UHFFFAOYSA-N 1 2 394.686 2.045 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000063759986 531861962 /nfs/dbraw/zinc/86/19/62/531861962.db2.gz WBTLOKALXLKXDP-UHFFFAOYSA-N 1 2 394.686 2.045 20 0 GEADLO O=C(Nc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000163752938 531862883 /nfs/dbraw/zinc/86/28/83/531862883.db2.gz SGMNNMTVEIDWGA-CYBMUJFWSA-N 1 2 386.279 2.255 20 0 GEADLO Cc1cc(Cl)c(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1Cl ZINC000163951949 531865729 /nfs/dbraw/zinc/86/57/29/531865729.db2.gz PFJGPCWJPJKJOQ-VXGBXAGGSA-N 1 2 388.295 2.466 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167918834 531880987 /nfs/dbraw/zinc/88/09/87/531880987.db2.gz GTZPZZGUVBEBPU-RLCCDNCMSA-N 1 2 376.881 2.180 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000167918834 531880997 /nfs/dbraw/zinc/88/09/97/531880997.db2.gz GTZPZZGUVBEBPU-RLCCDNCMSA-N 1 2 376.881 2.180 20 0 GEADLO NS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000170914785 531894769 /nfs/dbraw/zinc/89/47/69/531894769.db2.gz ZBGDSSUMJSEZJV-CQSZACIVSA-N 1 2 394.324 2.465 20 0 GEADLO NS(=O)(=O)CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000170914785 531894775 /nfs/dbraw/zinc/89/47/75/531894775.db2.gz ZBGDSSUMJSEZJV-CQSZACIVSA-N 1 2 394.324 2.465 20 0 GEADLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](Cc2ccccc2Br)CC1 ZINC000170687220 531887785 /nfs/dbraw/zinc/88/77/85/531887785.db2.gz NINWUHWAZFDFEV-UHFFFAOYSA-N 1 2 376.254 2.095 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000171529457 531907997 /nfs/dbraw/zinc/90/79/97/531907997.db2.gz DQZBNHXLUIRQFN-AWEZNQCLSA-N 1 2 378.274 2.224 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000171944695 531923851 /nfs/dbraw/zinc/92/38/51/531923851.db2.gz NEYQARRLJYNVNQ-UHFFFAOYSA-N 1 2 375.281 2.223 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CCc2cccnc2)CC1 ZINC000172152937 531936009 /nfs/dbraw/zinc/93/60/09/531936009.db2.gz OYFKRYAIHOVGHV-UHFFFAOYSA-N 1 2 383.876 2.423 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1Cl ZINC000105739592 531941265 /nfs/dbraw/zinc/94/12/65/531941265.db2.gz OQAAGVYALQKAKE-NWDGAFQWSA-N 1 2 388.295 2.466 20 0 GEADLO CCCCCS(=O)(=O)CC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112186792 531946399 /nfs/dbraw/zinc/94/63/99/531946399.db2.gz KNZDDVSQYFWTKM-UHFFFAOYSA-N 1 2 390.615 2.459 20 0 GEADLO C[C@H](NC(=O)NCCc1ccc(Br)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000172335810 531947262 /nfs/dbraw/zinc/94/72/62/531947262.db2.gz VWZZHXKQJLHDHO-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)c1 ZINC000112361201 531947947 /nfs/dbraw/zinc/94/79/47/531947947.db2.gz PGDRGAVWDLLZFX-AWEZNQCLSA-N 1 2 390.933 2.374 20 0 GEADLO NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](C/C(Cl)=C/Cl)CC2)cc1 ZINC000173179570 531992376 /nfs/dbraw/zinc/99/23/76/531992376.db2.gz NREXCLNPAFWHAQ-XFXZXTDPSA-N 1 2 392.308 2.304 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1c[nH]c(=O)c(Br)c1 ZINC000173016927 531979777 /nfs/dbraw/zinc/97/97/77/531979777.db2.gz KNNYMZCCCDFQQK-UHFFFAOYSA-N 1 2 377.242 2.063 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1Br ZINC000120317531 531981536 /nfs/dbraw/zinc/98/15/36/531981536.db2.gz FIGQYSRCKDPPNK-CYBMUJFWSA-N 1 2 389.315 2.114 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1Br ZINC000120317531 531981543 /nfs/dbraw/zinc/98/15/43/531981543.db2.gz FIGQYSRCKDPPNK-CYBMUJFWSA-N 1 2 389.315 2.114 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c(F)c1Cl ZINC000173108971 531987512 /nfs/dbraw/zinc/98/75/12/531987512.db2.gz NLCTUMHQVLUVCQ-QMMMGPOBSA-N 1 2 395.859 2.338 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)c(F)c1Cl ZINC000173108971 531987518 /nfs/dbraw/zinc/98/75/18/531987518.db2.gz NLCTUMHQVLUVCQ-QMMMGPOBSA-N 1 2 395.859 2.338 20 0 GEADLO CCCCN(C(=O)C[NH2+]C(C)(C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000173425164 532009994 /nfs/dbraw/zinc/00/99/94/532009994.db2.gz AXUAEDCKHMPDJY-AWEZNQCLSA-N 1 2 387.571 2.092 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000121080832 532011651 /nfs/dbraw/zinc/01/16/51/532011651.db2.gz HSJNDYXBJGOQBJ-UWVGGRQHSA-N 1 2 385.287 2.075 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000121080832 532011655 /nfs/dbraw/zinc/01/16/55/532011655.db2.gz HSJNDYXBJGOQBJ-UWVGGRQHSA-N 1 2 385.287 2.075 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000121344963 532023641 /nfs/dbraw/zinc/02/36/41/532023641.db2.gz FWSAMESMMYLSRJ-CYBMUJFWSA-N 1 2 381.263 2.439 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000121511167 532032956 /nfs/dbraw/zinc/03/29/56/532032956.db2.gz GDQVXHJLWNRPDL-AWEZNQCLSA-N 1 2 384.523 2.197 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1SC(F)(F)F ZINC000173763311 532032148 /nfs/dbraw/zinc/03/21/48/532032148.db2.gz TXISVCTVNJFFDK-LLVKDONJSA-N 1 2 384.445 2.431 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1SC(F)(F)F ZINC000173763311 532032153 /nfs/dbraw/zinc/03/21/53/532032153.db2.gz TXISVCTVNJFFDK-LLVKDONJSA-N 1 2 384.445 2.431 20 0 GEADLO COc1ccc(Br)cc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173876095 532041159 /nfs/dbraw/zinc/04/11/59/532041159.db2.gz RHWMXNVMAOKYFV-ZDUSSCGKSA-N 1 2 384.274 2.396 20 0 GEADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000121753784 532045272 /nfs/dbraw/zinc/04/52/72/532045272.db2.gz HLRATZYBZUGTIR-HZPDHXFCSA-N 1 2 382.917 2.414 20 0 GEADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000121753784 532045278 /nfs/dbraw/zinc/04/52/78/532045278.db2.gz HLRATZYBZUGTIR-HZPDHXFCSA-N 1 2 382.917 2.414 20 0 GEADLO C[C@@H](NC(=O)N(C)Cc1nc(C(F)(F)F)cs1)[C@H](C)[NH+]1CCOCC1 ZINC000174243209 532058321 /nfs/dbraw/zinc/05/83/21/532058321.db2.gz SVGIIGIGLOXRFG-MNOVXSKESA-N 1 2 380.436 2.413 20 0 GEADLO O=C(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)N1CCC[C@H]1c1cccs1 ZINC000122154663 532059457 /nfs/dbraw/zinc/05/94/57/532059457.db2.gz UPDZJCQWEQXOHS-STQMWFEESA-N 1 2 380.432 2.019 20 0 GEADLO O=C(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)N1CCC[C@H]1c1cccs1 ZINC000122154663 532059460 /nfs/dbraw/zinc/05/94/60/532059460.db2.gz UPDZJCQWEQXOHS-STQMWFEESA-N 1 2 380.432 2.019 20 0 GEADLO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc(Cl)c1O ZINC000174315511 532059741 /nfs/dbraw/zinc/05/97/41/532059741.db2.gz YTRHPWTUXSVIFL-JTQLQIEISA-N 1 2 390.709 2.174 20 0 GEADLO CC(C)[C@H]1C[N@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CCS1 ZINC000174334137 532061263 /nfs/dbraw/zinc/06/12/63/532061263.db2.gz PIQJBAPYGMYRJN-IAGOWNOFSA-N 1 2 388.599 2.018 20 0 GEADLO CC(C)[C@H]1C[N@@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CCS1 ZINC000174334137 532061267 /nfs/dbraw/zinc/06/12/67/532061267.db2.gz PIQJBAPYGMYRJN-IAGOWNOFSA-N 1 2 388.599 2.018 20 0 GEADLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C)C(=O)NC(N)=O ZINC000122200397 532060648 /nfs/dbraw/zinc/06/06/48/532060648.db2.gz YIRHDEDFYIGUBJ-VIFPVBQESA-N 1 2 375.256 2.227 20 0 GEADLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C)C(=O)NC(N)=O ZINC000122200397 532060660 /nfs/dbraw/zinc/06/06/60/532060660.db2.gz YIRHDEDFYIGUBJ-VIFPVBQESA-N 1 2 375.256 2.227 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000174686676 532074222 /nfs/dbraw/zinc/07/42/22/532074222.db2.gz ZJJLEXXWVLYGOB-UHFFFAOYSA-N 1 2 394.191 2.180 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000174753226 532077696 /nfs/dbraw/zinc/07/76/96/532077696.db2.gz ZSPVIIUYEHWIHY-UHFFFAOYSA-N 1 2 378.205 2.470 20 0 GEADLO CC(C)(CNC(=O)COc1cc(F)ccc1Br)[NH+]1CCOCC1 ZINC000122714723 532081017 /nfs/dbraw/zinc/08/10/17/532081017.db2.gz VAKFAGSCFNSBCR-UHFFFAOYSA-N 1 2 389.265 2.194 20 0 GEADLO NC(=O)NC1CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000174921354 532083597 /nfs/dbraw/zinc/08/35/97/532083597.db2.gz TWDDVXHIGUBARP-UHFFFAOYSA-N 1 2 386.275 2.193 20 0 GEADLO Cc1cnc(C(C)(C)NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000175439429 532103485 /nfs/dbraw/zinc/10/34/85/532103485.db2.gz AIGPKWUNBYRQKY-QGZVFWFLSA-N 1 2 384.571 2.194 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123755205 532106571 /nfs/dbraw/zinc/10/65/71/532106571.db2.gz PGCSXKPNCOUPEF-NORZTCDRSA-N 1 2 390.908 2.269 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123755205 532106575 /nfs/dbraw/zinc/10/65/75/532106575.db2.gz PGCSXKPNCOUPEF-NORZTCDRSA-N 1 2 390.908 2.269 20 0 GEADLO O=C([C@H]1CCNC(=O)C1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000124456964 532121744 /nfs/dbraw/zinc/12/17/44/532121744.db2.gz MOJSROHVGGKURX-AWEZNQCLSA-N 1 2 384.307 2.206 20 0 GEADLO Cn1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)nc1Cl ZINC000124012509 532112440 /nfs/dbraw/zinc/11/24/40/532112440.db2.gz HFEGSOVPOJBJNL-UHFFFAOYSA-N 1 2 383.905 2.327 20 0 GEADLO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)cc(Br)c1O ZINC000176291608 532132999 /nfs/dbraw/zinc/13/29/99/532132999.db2.gz RHJCPFUEACUCOY-JTQLQIEISA-N 1 2 390.709 2.174 20 0 GEADLO O=C(CSCC(=O)c1ccc(Cl)cc1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000176316895 532134602 /nfs/dbraw/zinc/13/46/02/532134602.db2.gz KYEHITCECNDFTQ-INIZCTEOSA-N 1 2 382.913 2.235 20 0 GEADLO O=C(CSCC(=O)c1ccc(Cl)cc1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000176316895 532134606 /nfs/dbraw/zinc/13/46/06/532134606.db2.gz KYEHITCECNDFTQ-INIZCTEOSA-N 1 2 382.913 2.235 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000125370328 532134653 /nfs/dbraw/zinc/13/46/53/532134653.db2.gz MYWOMXSKSVYNIQ-UHFFFAOYSA-N 1 2 385.877 2.462 20 0 GEADLO O=C(C[S@@](=O)Cc1cn2cc(Br)ccc2[nH+]1)NCC1CCC1 ZINC000176554457 532140917 /nfs/dbraw/zinc/14/09/17/532140917.db2.gz NWENJJXBCYVRSJ-QFIPXVFZSA-N 1 2 384.299 2.262 20 0 GEADLO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3cc(Br)ccc3O)C2)CC1 ZINC000176676513 532145725 /nfs/dbraw/zinc/14/57/25/532145725.db2.gz CEDLCSNJOWZZOQ-HNNXBMFYSA-N 1 2 396.329 2.397 20 0 GEADLO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3cc(Br)ccc3O)C2)CC1 ZINC000176676513 532145728 /nfs/dbraw/zinc/14/57/28/532145728.db2.gz CEDLCSNJOWZZOQ-HNNXBMFYSA-N 1 2 396.329 2.397 20 0 GEADLO Cc1ccc(NC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c(C)[nH+]1 ZINC000176707128 532146285 /nfs/dbraw/zinc/14/62/85/532146285.db2.gz HQPSRHALDSGTTG-UHFFFAOYSA-N 1 2 376.429 2.084 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000176784533 532149298 /nfs/dbraw/zinc/14/92/98/532149298.db2.gz PGIDSXCSMRAGQW-AWEZNQCLSA-N 1 2 386.945 2.349 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000128493541 532165201 /nfs/dbraw/zinc/16/52/01/532165201.db2.gz VHHZWQVRQKFHOF-UHFFFAOYSA-N 1 2 393.285 2.039 20 0 GEADLO O=C1NCCN1C1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000127628386 532155794 /nfs/dbraw/zinc/15/57/94/532155794.db2.gz YSWYLBRPJSNXNU-UHFFFAOYSA-N 1 2 378.274 2.086 20 0 GEADLO C[C@H](Cn1cncn1)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000127692277 532157271 /nfs/dbraw/zinc/15/72/71/532157271.db2.gz HEGVJMNCODGLIR-CJNGLKHVSA-N 1 2 392.301 2.382 20 0 GEADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000177132534 532162667 /nfs/dbraw/zinc/16/26/67/532162667.db2.gz KXBKMHPUFQHNGS-UHFFFAOYSA-N 1 2 394.686 2.376 20 0 GEADLO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1nc(C(F)(F)F)cs1 ZINC000177177973 532163376 /nfs/dbraw/zinc/16/33/76/532163376.db2.gz QVCTXXKKCCNZKW-UHFFFAOYSA-N 1 2 392.325 2.372 20 0 GEADLO C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1nc(C(F)(F)F)cs1 ZINC000177177973 532163379 /nfs/dbraw/zinc/16/33/79/532163379.db2.gz QVCTXXKKCCNZKW-UHFFFAOYSA-N 1 2 392.325 2.372 20 0 GEADLO Cc1sc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1CS(C)(=O)=O ZINC000129752283 532184015 /nfs/dbraw/zinc/18/40/15/532184015.db2.gz ZEXOXVOQLHUZPB-UHFFFAOYSA-N 1 2 385.536 2.298 20 0 GEADLO Cc1sc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1CS(C)(=O)=O ZINC000129752283 532184017 /nfs/dbraw/zinc/18/40/17/532184017.db2.gz ZEXOXVOQLHUZPB-UHFFFAOYSA-N 1 2 385.536 2.298 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000129822786 532184563 /nfs/dbraw/zinc/18/45/63/532184563.db2.gz WOFMKESFMBNDJM-ZDUSSCGKSA-N 1 2 390.311 2.218 20 0 GEADLO O=C1OCC[C@H]1[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000177454649 532171597 /nfs/dbraw/zinc/17/15/97/532171597.db2.gz LORWJYRQDSRSSA-CYBMUJFWSA-N 1 2 387.217 2.450 20 0 GEADLO O=C(Nc1ccccc1Br)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000177434920 532171603 /nfs/dbraw/zinc/17/16/03/532171603.db2.gz WKKDCYJBBXSOKY-UHFFFAOYSA-N 1 2 377.242 2.448 20 0 GEADLO O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N(CCO)CC[NH+]1CCOCC1 ZINC000130280503 532191617 /nfs/dbraw/zinc/19/16/17/532191617.db2.gz VZJIREDSPUJMBF-DLBZAZTESA-N 1 2 387.307 2.250 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)[C@@H](C)[NH+]1CCOCC1 ZINC000130442317 532192107 /nfs/dbraw/zinc/19/21/07/532192107.db2.gz HAILZZLAZYCMLQ-LALPHHSUSA-N 1 2 383.286 2.151 20 0 GEADLO COc1cc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)sc1Br ZINC000130448823 532192736 /nfs/dbraw/zinc/19/27/36/532192736.db2.gz XYKCHHWNSFJCLE-UWVGGRQHSA-N 1 2 377.304 2.358 20 0 GEADLO Cc1csc(N2CC[NH+](Cc3ccc(S(=O)(=O)N(C)C)cc3)CC2)n1 ZINC000130673630 532193036 /nfs/dbraw/zinc/19/30/36/532193036.db2.gz QJFZZVFKBVKBLD-UHFFFAOYSA-N 1 2 380.539 2.024 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000129936099 532186723 /nfs/dbraw/zinc/18/67/23/532186723.db2.gz IKCIKRHLNGZVBP-JTQLQIEISA-N 1 2 394.324 2.321 20 0 GEADLO Cn1cc[nH+]c1CS(=O)(=O)CCC(=O)Nc1cccc(Br)c1 ZINC000131927440 532206358 /nfs/dbraw/zinc/20/63/58/532206358.db2.gz FKLRRLSESNPSKR-UHFFFAOYSA-N 1 2 386.271 2.126 20 0 GEADLO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178654372 532208794 /nfs/dbraw/zinc/20/87/94/532208794.db2.gz ODXWCXTXCYDMDV-HOCLYGCPSA-N 1 2 380.330 2.134 20 0 GEADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000178835829 532213496 /nfs/dbraw/zinc/21/34/96/532213496.db2.gz NXCNCSGARZIZTL-LLVKDONJSA-N 1 2 384.274 2.446 20 0 GEADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000178835829 532213499 /nfs/dbraw/zinc/21/34/99/532213499.db2.gz NXCNCSGARZIZTL-LLVKDONJSA-N 1 2 384.274 2.446 20 0 GEADLO O=C(NCC[C@H]1CC[NH2+]C1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000178950479 532218321 /nfs/dbraw/zinc/21/83/21/532218321.db2.gz NLECZNBQPMYKBV-CYBMUJFWSA-N 1 2 379.507 2.278 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178431372 532202079 /nfs/dbraw/zinc/20/20/79/532202079.db2.gz SBQCUYBCPQRYMJ-VWLOTQADSA-N 1 2 380.491 2.343 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178431372 532202080 /nfs/dbraw/zinc/20/20/80/532202080.db2.gz SBQCUYBCPQRYMJ-VWLOTQADSA-N 1 2 380.491 2.343 20 0 GEADLO C[N@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000178429856 532202097 /nfs/dbraw/zinc/20/20/97/532202097.db2.gz SBSXYNBAVUNHCU-XMMPIXPASA-N 1 2 381.519 2.338 20 0 GEADLO C[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000178429856 532202099 /nfs/dbraw/zinc/20/20/99/532202099.db2.gz SBSXYNBAVUNHCU-XMMPIXPASA-N 1 2 381.519 2.338 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(OC)c(Br)s2)CC1 ZINC000179407458 532230761 /nfs/dbraw/zinc/23/07/61/532230761.db2.gz NOTXNSVGLFODQU-SNVBAGLBSA-N 1 2 377.304 2.048 20 0 GEADLO O=C1NCC[C@@H]1Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000178999920 532220726 /nfs/dbraw/zinc/22/07/26/532220726.db2.gz QDRGPXIBBGIIKO-AWEZNQCLSA-N 1 2 377.901 2.497 20 0 GEADLO C[C@@H](C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCSCC1 ZINC000179151058 532223383 /nfs/dbraw/zinc/22/33/83/532223383.db2.gz UQJUNDJOPJKHSH-JTQLQIEISA-N 1 2 376.309 2.485 20 0 GEADLO C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)C(=O)NCc1ccccc1 ZINC000179219353 532225209 /nfs/dbraw/zinc/22/52/09/532225209.db2.gz YDVOMFNIKNDHTJ-LRDDRELGSA-N 1 2 390.281 2.270 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)NCC1(CCO)CCC1 ZINC000134007829 532247566 /nfs/dbraw/zinc/24/75/66/532247566.db2.gz CBFFKQBSPKKCBW-UHFFFAOYSA-N 1 2 381.274 2.449 20 0 GEADLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)c2ccc(Br)cc2n1 ZINC000134126967 532250541 /nfs/dbraw/zinc/25/05/41/532250541.db2.gz KOKFAKUVUFZQOY-UHFFFAOYSA-N 1 2 378.270 2.056 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134318962 532253630 /nfs/dbraw/zinc/25/36/30/532253630.db2.gz OPVZMQDOVVUADN-ZFWWWQNUSA-N 1 2 387.933 2.378 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134318962 532253632 /nfs/dbraw/zinc/25/36/32/532253632.db2.gz OPVZMQDOVVUADN-ZFWWWQNUSA-N 1 2 387.933 2.378 20 0 GEADLO CN(C)c1ccc(Br)c(S(=O)(=O)NCCCn2cc[nH+]c2)c1 ZINC000179586275 532236921 /nfs/dbraw/zinc/23/69/21/532236921.db2.gz SRZPBNNOALHCRE-UHFFFAOYSA-N 1 2 387.303 2.080 20 0 GEADLO O=C(c1ccc(Br)c(O)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000133548442 532237494 /nfs/dbraw/zinc/23/74/94/532237494.db2.gz XCMCWBYCYVFASX-CQSZACIVSA-N 1 2 383.286 2.482 20 0 GEADLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)N(Cc1ccco1)CC(F)(F)F ZINC000135572015 532275849 /nfs/dbraw/zinc/27/58/49/532275849.db2.gz MHXBYWGXVYIDIZ-UONOGXRCSA-N 1 2 378.416 2.377 20 0 GEADLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@@H]21)N(Cc1ccco1)CC(F)(F)F ZINC000135572015 532275855 /nfs/dbraw/zinc/27/58/55/532275855.db2.gz MHXBYWGXVYIDIZ-UONOGXRCSA-N 1 2 378.416 2.377 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135677055 532277353 /nfs/dbraw/zinc/27/73/53/532277353.db2.gz KBNCXZODPOLGHC-CJNGLKHVSA-N 1 2 385.917 2.167 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135677055 532277360 /nfs/dbraw/zinc/27/73/60/532277360.db2.gz KBNCXZODPOLGHC-CJNGLKHVSA-N 1 2 385.917 2.167 20 0 GEADLO COC(=O)[C@@H](O)C1CC[NH+](Cc2cc(Br)c(OC)s2)CC1 ZINC000180670540 532277634 /nfs/dbraw/zinc/27/76/34/532277634.db2.gz LBLNARJWMRURSR-LBPRGKRZSA-N 1 2 378.288 2.265 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)ccc1Br ZINC000136010443 532281911 /nfs/dbraw/zinc/28/19/11/532281911.db2.gz XBQDMFTVSDIFIY-GFCCVEGCSA-N 1 2 391.269 2.271 20 0 GEADLO Cc1cc(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cc[nH+]1 ZINC000136071756 532282017 /nfs/dbraw/zinc/28/20/17/532282017.db2.gz VMZNGXARCVVFPZ-UHFFFAOYSA-N 1 2 398.282 2.460 20 0 GEADLO C[C@H](CN1CCOCC1)[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180490833 532272953 /nfs/dbraw/zinc/27/29/53/532272953.db2.gz MMLFICSLTSTHDG-CQSZACIVSA-N 1 2 386.323 2.472 20 0 GEADLO O=C1NC[C@@H]2C[N@H+](Cc3ccc(-c4ccc(Cl)cc4)s3)CCN2C1=O ZINC000180485559 532273232 /nfs/dbraw/zinc/27/32/32/532273232.db2.gz DAGKTZCOOIOUQX-CQSZACIVSA-N 1 2 375.881 2.211 20 0 GEADLO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)s3)CCN2C1=O ZINC000180485559 532273234 /nfs/dbraw/zinc/27/32/34/532273234.db2.gz DAGKTZCOOIOUQX-CQSZACIVSA-N 1 2 375.881 2.211 20 0 GEADLO CSC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000135435106 532274068 /nfs/dbraw/zinc/27/40/68/532274068.db2.gz ZJBODHHGKROQNW-LBPRGKRZSA-N 1 2 378.466 2.449 20 0 GEADLO CSC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000135435106 532274070 /nfs/dbraw/zinc/27/40/70/532274070.db2.gz ZJBODHHGKROQNW-LBPRGKRZSA-N 1 2 378.466 2.449 20 0 GEADLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000141046248 532294838 /nfs/dbraw/zinc/29/48/38/532294838.db2.gz XCSYNYJBGDBKMK-YPMHNXCESA-N 1 2 376.341 2.423 20 0 GEADLO C[C@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCN1S(C)(=O)=O ZINC000181577288 532302653 /nfs/dbraw/zinc/30/26/53/532302653.db2.gz OWVWBZHEFRABCN-NSHDSACASA-N 1 2 394.324 2.288 20 0 GEADLO C[C@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCN1S(C)(=O)=O ZINC000181577288 532302655 /nfs/dbraw/zinc/30/26/55/532302655.db2.gz OWVWBZHEFRABCN-NSHDSACASA-N 1 2 394.324 2.288 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000181672593 532304692 /nfs/dbraw/zinc/30/46/92/532304692.db2.gz RKGFTPKPBTWVSV-CQSZACIVSA-N 1 2 381.325 2.212 20 0 GEADLO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2cc(Cl)ccc2Cl)cn1 ZINC000181692436 532305223 /nfs/dbraw/zinc/30/52/23/532305223.db2.gz RNPZEEVMELRLDD-CYBMUJFWSA-N 1 2 375.281 2.062 20 0 GEADLO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)Cc2c(Cl)cccc2Cl)cn1 ZINC000181694472 532305430 /nfs/dbraw/zinc/30/54/30/532305430.db2.gz SNVUMTWGAUKLLI-HNNXBMFYSA-N 1 2 389.308 2.203 20 0 GEADLO O=S1(=O)CCN(C2CC[NH+](Cc3ccccc3Br)CC2)CC1 ZINC000181745672 532306031 /nfs/dbraw/zinc/30/60/31/532306031.db2.gz YAXTXJCOSNSRHW-UHFFFAOYSA-N 1 2 387.343 2.144 20 0 GEADLO C[C@H](C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[NH+]1CCSCC1 ZINC000183031613 532321286 /nfs/dbraw/zinc/32/12/86/532321286.db2.gz MOVOWJMYBAKWAP-ABAIWWIYSA-N 1 2 385.892 2.138 20 0 GEADLO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000186194357 532340129 /nfs/dbraw/zinc/34/01/29/532340129.db2.gz NIKPXHLRJLGBCG-SNVBAGLBSA-N 1 2 395.859 2.339 20 0 GEADLO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000186194357 532340130 /nfs/dbraw/zinc/34/01/30/532340130.db2.gz NIKPXHLRJLGBCG-SNVBAGLBSA-N 1 2 395.859 2.339 20 0 GEADLO Cc1cc(Br)cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000187265814 532343758 /nfs/dbraw/zinc/34/37/58/532343758.db2.gz HRLVQGHSFIXQPI-ZDUSSCGKSA-N 1 2 391.331 2.004 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000186807903 532341969 /nfs/dbraw/zinc/34/19/69/532341969.db2.gz TWCXHXXHONBAPF-OLZOCXBDSA-N 1 2 387.343 2.455 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)C1 ZINC000186810526 532341985 /nfs/dbraw/zinc/34/19/85/532341985.db2.gz MPCLPRJAGCLBFR-HNNXBMFYSA-N 1 2 388.917 2.128 20 0 GEADLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)C1 ZINC000186810526 532341986 /nfs/dbraw/zinc/34/19/86/532341986.db2.gz MPCLPRJAGCLBFR-HNNXBMFYSA-N 1 2 388.917 2.128 20 0 GEADLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000187001144 532343003 /nfs/dbraw/zinc/34/30/03/532343003.db2.gz JWQMPXVGEGPBRO-PWSUYJOCSA-N 1 2 391.693 2.005 20 0 GEADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000187001144 532343004 /nfs/dbraw/zinc/34/30/04/532343004.db2.gz JWQMPXVGEGPBRO-PWSUYJOCSA-N 1 2 391.693 2.005 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183686420 532328010 /nfs/dbraw/zinc/32/80/10/532328010.db2.gz GMSDXAUFKOCRIY-LBPRGKRZSA-N 1 2 384.395 2.280 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183686420 532328011 /nfs/dbraw/zinc/32/80/11/532328011.db2.gz GMSDXAUFKOCRIY-LBPRGKRZSA-N 1 2 384.395 2.280 20 0 GEADLO COCCC[N@H+](Cc1nc2ccc(OC)cc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000187244937 532343634 /nfs/dbraw/zinc/34/36/34/532343634.db2.gz LHBASOOJLOCIQN-CYBMUJFWSA-N 1 2 384.523 2.331 20 0 GEADLO COCCC[N@@H+](Cc1nc2ccc(OC)cc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000187244937 532343635 /nfs/dbraw/zinc/34/36/35/532343635.db2.gz LHBASOOJLOCIQN-CYBMUJFWSA-N 1 2 384.523 2.331 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)N3CCC[C@@H]3C)CC2)cs1 ZINC000184983623 532336362 /nfs/dbraw/zinc/33/63/62/532336362.db2.gz WGHLYEHRDLNYQI-AWEZNQCLSA-N 1 2 386.587 2.236 20 0 GEADLO Cc1cccc(S(=O)(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1Br ZINC000188097359 532346639 /nfs/dbraw/zinc/34/66/39/532346639.db2.gz LQJGHQXHROVIMR-UHFFFAOYSA-N 1 2 391.331 2.147 20 0 GEADLO Cc1cccc(S(=O)(=O)NCC[N@H+]2CCOC(C)(C)C2)c1Br ZINC000188097359 532346640 /nfs/dbraw/zinc/34/66/40/532346640.db2.gz LQJGHQXHROVIMR-UHFFFAOYSA-N 1 2 391.331 2.147 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000188138950 532346893 /nfs/dbraw/zinc/34/68/93/532346893.db2.gz SRKRLSXRCRGZGQ-ZYHUDNBSSA-N 1 2 386.290 2.000 20 0 GEADLO O=S(=O)(c1cccc2c1N=S=N2)N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000188602502 532348770 /nfs/dbraw/zinc/34/87/70/532348770.db2.gz RRCNFPVHHHKOGU-ZDUSSCGKSA-N 1 2 382.511 2.288 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC[N@@H+]1CCO ZINC000188724516 532349379 /nfs/dbraw/zinc/34/93/79/532349379.db2.gz OHMJFDAXSKFJTE-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC[N@H+]1CCO ZINC000188724516 532349380 /nfs/dbraw/zinc/34/93/80/532349380.db2.gz OHMJFDAXSKFJTE-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[C@H](C)C1 ZINC000189082790 532350741 /nfs/dbraw/zinc/35/07/41/532350741.db2.gz TUEHZUAIANEKCV-GHMZBOCLSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[C@H](C)C1 ZINC000189082790 532350742 /nfs/dbraw/zinc/35/07/42/532350742.db2.gz TUEHZUAIANEKCV-GHMZBOCLSA-N 1 2 398.859 2.017 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000189092986 532350810 /nfs/dbraw/zinc/35/08/10/532350810.db2.gz BVMKGKWZGPKWOW-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000189092986 532350811 /nfs/dbraw/zinc/35/08/11/532350811.db2.gz BVMKGKWZGPKWOW-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000189245023 532351509 /nfs/dbraw/zinc/35/15/09/532351509.db2.gz XXQMUUORAMSMCO-NSHDSACASA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000189245023 532351510 /nfs/dbraw/zinc/35/15/10/532351510.db2.gz XXQMUUORAMSMCO-NSHDSACASA-N 1 2 396.738 2.108 20 0 GEADLO COC[C@H]1C[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H](C)O1 ZINC000189377525 532351946 /nfs/dbraw/zinc/35/19/46/532351946.db2.gz RCLMRCYCRPEKAR-WCQYABFASA-N 1 2 391.331 2.205 20 0 GEADLO COC[C@H]1C[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H](C)O1 ZINC000189377525 532351947 /nfs/dbraw/zinc/35/19/47/532351947.db2.gz RCLMRCYCRPEKAR-WCQYABFASA-N 1 2 391.331 2.205 20 0 GEADLO COCCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000189725184 532353426 /nfs/dbraw/zinc/35/34/26/532353426.db2.gz ZVIFMCPMGAQTEV-GFCCVEGCSA-N 1 2 375.238 2.264 20 0 GEADLO COCCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000189725184 532353427 /nfs/dbraw/zinc/35/34/27/532353427.db2.gz ZVIFMCPMGAQTEV-GFCCVEGCSA-N 1 2 375.238 2.264 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189725818 532353459 /nfs/dbraw/zinc/35/34/59/532353459.db2.gz AAGFEKNGRBVGTJ-KGLIPLIRSA-N 1 2 397.313 2.183 20 0 GEADLO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189719798 532353477 /nfs/dbraw/zinc/35/34/77/532353477.db2.gz TWCXHXXHONBAPF-QWHCGFSZSA-N 1 2 387.343 2.455 20 0 GEADLO CSc1ccc(C[NH+]2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 ZINC000190290517 532355476 /nfs/dbraw/zinc/35/54/76/532355476.db2.gz SGQNDSXYMIPQNE-UHFFFAOYSA-N 1 2 377.535 2.378 20 0 GEADLO COCCCNC(=O)C[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000190361458 532355723 /nfs/dbraw/zinc/35/57/23/532355723.db2.gz JMECUUWATSDTMG-HNNXBMFYSA-N 1 2 388.295 2.183 20 0 GEADLO COCCCNC(=O)C[N@@H+](C)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000190361458 532355724 /nfs/dbraw/zinc/35/57/24/532355724.db2.gz JMECUUWATSDTMG-HNNXBMFYSA-N 1 2 388.295 2.183 20 0 GEADLO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190765792 532357796 /nfs/dbraw/zinc/35/77/96/532357796.db2.gz AUJKCBUKBQLRIH-CQSZACIVSA-N 1 2 377.242 2.275 20 0 GEADLO O=C(c1cn2ccnc2s1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000190996208 532358992 /nfs/dbraw/zinc/35/89/92/532358992.db2.gz VFLKCKAEIRVVLM-UHFFFAOYSA-N 1 2 376.404 2.123 20 0 GEADLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191303236 532360337 /nfs/dbraw/zinc/36/03/37/532360337.db2.gz NHCYVGSJFCRPLT-LLVKDONJSA-N 1 2 379.452 2.326 20 0 GEADLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191303236 532360338 /nfs/dbraw/zinc/36/03/38/532360338.db2.gz NHCYVGSJFCRPLT-LLVKDONJSA-N 1 2 379.452 2.326 20 0 GEADLO Cc1nc(CC2CC2)sc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000191296734 532360393 /nfs/dbraw/zinc/36/03/93/532360393.db2.gz YGGDPLIQMLIDBO-GOSISDBHSA-N 1 2 381.567 2.342 20 0 GEADLO CN(C)c1[nH+]cccc1NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000187600384 532344985 /nfs/dbraw/zinc/34/49/85/532344985.db2.gz AGKRYUDDXJLAFV-UHFFFAOYSA-N 1 2 383.271 2.340 20 0 GEADLO COc1c(Br)cc(Br)cc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000187671063 532345131 /nfs/dbraw/zinc/34/51/31/532345131.db2.gz DDBZBPWLANGZLV-QWRGUYRKSA-N 1 2 395.091 2.148 20 0 GEADLO COc1c(Br)cc(Br)cc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000187671063 532345132 /nfs/dbraw/zinc/34/51/32/532345132.db2.gz DDBZBPWLANGZLV-QWRGUYRKSA-N 1 2 395.091 2.148 20 0 GEADLO CC[C@@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)Oc1ccccc1Cl ZINC000463421809 532373533 /nfs/dbraw/zinc/37/35/33/532373533.db2.gz NUGUIIBXJNXGMO-HNNXBMFYSA-N 1 2 390.933 2.139 20 0 GEADLO CC(=O)N1CC[NH+]([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000463478539 532374750 /nfs/dbraw/zinc/37/47/50/532374750.db2.gz KVVFMXAMOCNRKR-QGZVFWFLSA-N 1 2 394.313 2.417 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(C(=O)N[C@H]3C[C@H](c4ccc(Br)cc4)C3)C[C@@H]21 ZINC000463519411 532376487 /nfs/dbraw/zinc/37/64/87/532376487.db2.gz TYYQNYQQUPFTLV-HJWJTTGWSA-N 1 2 394.313 2.420 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(C(=O)N[C@H]3C[C@H](c4ccc(Br)cc4)C3)C[C@@H]21 ZINC000463519411 532376496 /nfs/dbraw/zinc/37/64/96/532376496.db2.gz TYYQNYQQUPFTLV-HJWJTTGWSA-N 1 2 394.313 2.420 20 0 GEADLO Cc1cnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(I)c1 ZINC000425237940 532378310 /nfs/dbraw/zinc/37/83/10/532378310.db2.gz TYKZSBLSXZAGNA-ZDUSSCGKSA-N 1 2 387.265 2.153 20 0 GEADLO CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000191547991 532361437 /nfs/dbraw/zinc/36/14/37/532361437.db2.gz XRPBJLLIXWEANW-UHFFFAOYSA-N 1 2 376.869 2.459 20 0 GEADLO Cn1cc([C@@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cc3Cl)C[C@H]2CO)cn1 ZINC000277755355 532362655 /nfs/dbraw/zinc/36/26/55/532362655.db2.gz LUXRDSWOQVBAAG-JSGCOSHPSA-N 1 2 383.279 2.373 20 0 GEADLO Cn1cc([C@@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cc3Cl)C[C@H]2CO)cn1 ZINC000277755355 532362660 /nfs/dbraw/zinc/36/26/60/532362660.db2.gz LUXRDSWOQVBAAG-JSGCOSHPSA-N 1 2 383.279 2.373 20 0 GEADLO COc1ccc(CCC(=O)NCC2([NH+]3CCOCC3)CC2)cc1Br ZINC000277869958 532364024 /nfs/dbraw/zinc/36/40/24/532364024.db2.gz KIASWOZXPLUFKD-UHFFFAOYSA-N 1 2 397.313 2.371 20 0 GEADLO COc1ccccc1NC(=O)C[S@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000462989529 532364048 /nfs/dbraw/zinc/36/40/48/532364048.db2.gz MJDIKMNZDRXZTK-RUZDIDTESA-N 1 2 375.372 2.341 20 0 GEADLO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)c1ncc(Br)cn1 ZINC000647119419 532367019 /nfs/dbraw/zinc/36/70/19/532367019.db2.gz SYVLFJYGUSQEMI-WFASDCNBSA-N 1 2 390.285 2.476 20 0 GEADLO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)c1ncc(Br)cn1 ZINC000647119419 532367025 /nfs/dbraw/zinc/36/70/25/532367025.db2.gz SYVLFJYGUSQEMI-WFASDCNBSA-N 1 2 390.285 2.476 20 0 GEADLO O=S1(=O)CCC(O)(C[NH2+][C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621753831 532367203 /nfs/dbraw/zinc/36/72/03/532367203.db2.gz WGVVBLSJWNMBCD-GFCCVEGCSA-N 1 2 398.269 2.285 20 0 GEADLO COc1ccc(Br)cc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000557580179 532369822 /nfs/dbraw/zinc/36/98/22/532369822.db2.gz YTBFKHUBEKBYGI-OCCSQVGLSA-N 1 2 383.286 2.393 20 0 GEADLO O=C(c1[nH]c2ccc(Br)cc2c1Cl)N1CC[NH+](CCO)CC1 ZINC000516101283 532379121 /nfs/dbraw/zinc/37/91/21/532379121.db2.gz HDYKLMRAMUZNDY-UHFFFAOYSA-N 1 2 386.677 2.334 20 0 GEADLO Cn1cc(I)c(C[NH2+][C@H]2CCN(c3ccccc3)C2)n1 ZINC000590661313 532379394 /nfs/dbraw/zinc/37/93/94/532379394.db2.gz DBOFGAIJHMRIMC-LBPRGKRZSA-N 1 2 382.249 2.393 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000278415250 532379721 /nfs/dbraw/zinc/37/97/21/532379721.db2.gz YODZKNUIVCFVGV-SWLSCSKDSA-N 1 2 388.295 2.487 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000278415250 532379726 /nfs/dbraw/zinc/37/97/26/532379726.db2.gz YODZKNUIVCFVGV-SWLSCSKDSA-N 1 2 388.295 2.487 20 0 GEADLO COC(=O)C[C@]1([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CCOC1 ZINC000463697694 532380116 /nfs/dbraw/zinc/38/01/16/532380116.db2.gz JKQWFPMJIJIQLF-MRXNPFEDSA-N 1 2 385.251 2.386 20 0 GEADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000425295702 532380799 /nfs/dbraw/zinc/38/07/99/532380799.db2.gz PUDTZHRRJFCVNV-ZDUSSCGKSA-N 1 2 387.307 2.224 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCSCC2)[C@H]1c1ccc(Cl)cc1 ZINC000558018582 532381036 /nfs/dbraw/zinc/38/10/36/532381036.db2.gz AWZLWNIAIGOMSB-HZPDHXFCSA-N 1 2 381.929 2.167 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCSCC2)[C@H]1c1ccc(Cl)cc1 ZINC000558018582 532381044 /nfs/dbraw/zinc/38/10/44/532381044.db2.gz AWZLWNIAIGOMSB-HZPDHXFCSA-N 1 2 381.929 2.167 20 0 GEADLO CS(=O)(=O)N(CC[NH+]1CCN(c2cccs2)CC1)Cc1ccccc1 ZINC000192069534 532381878 /nfs/dbraw/zinc/38/18/78/532381878.db2.gz TZVUBCCPWCCATG-UHFFFAOYSA-N 1 2 379.551 2.332 20 0 GEADLO NC(=O)CCCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000425297445 532382594 /nfs/dbraw/zinc/38/25/94/532382594.db2.gz VCOWQVDUGGLWCB-UHFFFAOYSA-N 1 2 393.285 2.330 20 0 GEADLO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000558063471 532383797 /nfs/dbraw/zinc/38/37/97/532383797.db2.gz HPCXBOKEYSLXJO-NSHDSACASA-N 1 2 397.324 2.343 20 0 GEADLO COCCOc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000558063471 532383800 /nfs/dbraw/zinc/38/38/00/532383800.db2.gz HPCXBOKEYSLXJO-NSHDSACASA-N 1 2 397.324 2.343 20 0 GEADLO COc1cc(Br)c(CNc2nc3c(cnn3C)c(N)[nH+]2)cc1OC ZINC000278520936 532383940 /nfs/dbraw/zinc/38/39/40/532383940.db2.gz ZAYPPHHPYHDOIJ-UHFFFAOYSA-N 1 2 393.245 2.337 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000623301617 532386346 /nfs/dbraw/zinc/38/63/46/532386346.db2.gz PQGSGXWCBTWEED-AWEZNQCLSA-N 1 2 388.265 2.378 20 0 GEADLO O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590816051 532387459 /nfs/dbraw/zinc/38/74/59/532387459.db2.gz FIRMFAYYRDHIOL-HNNXBMFYSA-N 1 2 391.269 2.239 20 0 GEADLO Cc1cc(C[NH+]2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cs1 ZINC000294861409 532388112 /nfs/dbraw/zinc/38/81/12/532388112.db2.gz PNFJQHKJJMEGER-UHFFFAOYSA-N 1 2 376.507 2.439 20 0 GEADLO C[C@H](NC(=O)Nc1cnc2c(Br)cccn12)[C@H](C)[NH+]1CCOCC1 ZINC000425674707 532388248 /nfs/dbraw/zinc/38/82/48/532388248.db2.gz PRTHEMQUHZRVFX-RYUDHWBXSA-N 1 2 396.289 2.328 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CCS(=O)(=O)C[C@@H](C)C1)c1ccsc1 ZINC000192150106 532388881 /nfs/dbraw/zinc/38/88/81/532388881.db2.gz BYWBBVXPZLNRRB-HOCLYGCPSA-N 1 2 387.571 2.207 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000623970455 532392362 /nfs/dbraw/zinc/39/23/62/532392362.db2.gz OXJKKIGRCBUVQQ-SLEUVZQESA-N 1 2 386.265 2.074 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000623970455 532392369 /nfs/dbraw/zinc/39/23/69/532392369.db2.gz OXJKKIGRCBUVQQ-SLEUVZQESA-N 1 2 386.265 2.074 20 0 GEADLO CCC1(CC)C[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)CC[S@]1=O ZINC000192192751 532393785 /nfs/dbraw/zinc/39/37/85/532393785.db2.gz UOAAKLZCXXDNCS-XMMPIXPASA-N 1 2 386.583 2.071 20 0 GEADLO CCC1(CC)C[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)CC[S@]1=O ZINC000192192751 532393793 /nfs/dbraw/zinc/39/37/93/532393793.db2.gz UOAAKLZCXXDNCS-XMMPIXPASA-N 1 2 386.583 2.071 20 0 GEADLO COCC[C@@H](C)S(=O)(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000464220763 532393952 /nfs/dbraw/zinc/39/39/52/532393952.db2.gz XHLORSQXCSVCIR-LLVKDONJSA-N 1 2 390.303 2.250 20 0 GEADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc(=O)n3cc(Br)ccc3n2)n1 ZINC000516918015 532398079 /nfs/dbraw/zinc/39/80/79/532398079.db2.gz CRVRJRQXRWFHGZ-ZDUSSCGKSA-N 1 2 390.241 2.486 20 0 GEADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc(=O)n3cc(Br)ccc3n2)n1 ZINC000516918015 532398086 /nfs/dbraw/zinc/39/80/86/532398086.db2.gz CRVRJRQXRWFHGZ-ZDUSSCGKSA-N 1 2 390.241 2.486 20 0 GEADLO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000678628256 532399819 /nfs/dbraw/zinc/39/98/19/532399819.db2.gz HSCRKRVJYBOKSQ-CABCVRRESA-N 1 2 375.296 2.140 20 0 GEADLO CCS(=O)(=O)CC[N@H+](CCC(=O)OC)Cc1cccc(Br)c1 ZINC000192330428 532402540 /nfs/dbraw/zinc/40/25/40/532402540.db2.gz DNVWKCRIFHXXMY-UHFFFAOYSA-N 1 2 392.315 2.249 20 0 GEADLO CCS(=O)(=O)CC[N@@H+](CCC(=O)OC)Cc1cccc(Br)c1 ZINC000192330428 532402545 /nfs/dbraw/zinc/40/25/45/532402545.db2.gz DNVWKCRIFHXXMY-UHFFFAOYSA-N 1 2 392.315 2.249 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCCS1)c1ccccc1Cl ZINC000559415948 532401344 /nfs/dbraw/zinc/40/13/44/532401344.db2.gz KKPJTQUHTXTPOI-CZUORRHYSA-N 1 2 383.945 2.461 20 0 GEADLO Cc1cnc(CNC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)s1 ZINC000559415690 532402080 /nfs/dbraw/zinc/40/20/80/532402080.db2.gz KCYKSOQOMITDMS-AWEZNQCLSA-N 1 2 380.901 2.140 20 0 GEADLO O=S(=O)(c1cc(Cl)sc1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000679471185 532405001 /nfs/dbraw/zinc/40/50/01/532405001.db2.gz DGYRJGHVSOLDQY-NXEZZACHSA-N 1 2 385.338 2.275 20 0 GEADLO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000464767650 532405253 /nfs/dbraw/zinc/40/52/53/532405253.db2.gz AAAXBNRRJNNJRB-CVEARBPZSA-N 1 2 384.567 2.312 20 0 GEADLO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000464767650 532405257 /nfs/dbraw/zinc/40/52/57/532405257.db2.gz AAAXBNRRJNNJRB-CVEARBPZSA-N 1 2 384.567 2.312 20 0 GEADLO O=S(=O)(C1=Cc2ccccc2OCC1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000372774617 532407804 /nfs/dbraw/zinc/40/78/04/532407804.db2.gz BAXLEOUEFAXSKD-MRXNPFEDSA-N 1 2 380.535 2.263 20 0 GEADLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000559865821 532406352 /nfs/dbraw/zinc/40/63/52/532406352.db2.gz VKXFHJILFSEUNM-UWVGGRQHSA-N 1 2 385.287 2.298 20 0 GEADLO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427049015 532409298 /nfs/dbraw/zinc/40/92/98/532409298.db2.gz LBUVDCWBMHLPSP-JTQLQIEISA-N 1 2 395.232 2.163 20 0 GEADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000192748188 532410000 /nfs/dbraw/zinc/41/00/00/532410000.db2.gz WFWXVCJGEMMOPW-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO C[C@H]1C[C@H]1CNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000591433175 532411927 /nfs/dbraw/zinc/41/19/27/532411927.db2.gz MOEKFOFKKHHRLJ-ZFWWWQNUSA-N 1 2 398.320 2.478 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc3nc(Cl)cnc3c1)C2 ZINC000372838013 532412599 /nfs/dbraw/zinc/41/25/99/532412599.db2.gz KLYIYVHYDVRGLX-LLVKDONJSA-N 1 2 377.857 2.081 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000591589073 532413751 /nfs/dbraw/zinc/41/37/51/532413751.db2.gz ZHWHJZXWODRUFD-DAXOMENPSA-N 1 2 382.302 2.325 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000591589073 532413760 /nfs/dbraw/zinc/41/37/60/532413760.db2.gz ZHWHJZXWODRUFD-DAXOMENPSA-N 1 2 382.302 2.325 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCCOc1cccc(Cl)c1Cl ZINC000591573598 532414403 /nfs/dbraw/zinc/41/44/03/532414403.db2.gz BGWVCBJZQQKRLK-UHFFFAOYSA-N 1 2 376.284 2.346 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccccc1Br)[C@@H]1CCn2cc[nH+]c2C1 ZINC000372873640 532416275 /nfs/dbraw/zinc/41/62/75/532416275.db2.gz QFYKYAILFVXRCF-DZGCQCFKSA-N 1 2 392.297 2.175 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1)N1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000193040488 532418848 /nfs/dbraw/zinc/41/88/48/532418848.db2.gz XARMUIJQOLEZPE-KRWDZBQOSA-N 1 2 388.917 2.190 20 0 GEADLO O=S(=O)(c1cnc(Cl)c(Br)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000295196571 532417301 /nfs/dbraw/zinc/41/73/01/532417301.db2.gz MGHXZLPKIRUEEX-JTQLQIEISA-N 1 2 394.722 2.356 20 0 GEADLO O=S(=O)(c1cnc(Cl)c(Br)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000295196571 532417309 /nfs/dbraw/zinc/41/73/09/532417309.db2.gz MGHXZLPKIRUEEX-JTQLQIEISA-N 1 2 394.722 2.356 20 0 GEADLO CN(C)C(=O)C[NH+]1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000649226306 532418301 /nfs/dbraw/zinc/41/83/01/532418301.db2.gz URQSQYKGPFCLAV-UHFFFAOYSA-N 1 2 395.223 2.073 20 0 GEADLO O=C(NCCn1cc(Br)ccc1=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000560526661 532419379 /nfs/dbraw/zinc/41/93/79/532419379.db2.gz NTQSDTBWYNFGNA-ZDUSSCGKSA-N 1 2 394.273 2.271 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1)Nc1cccc(Br)c1 ZINC000560713596 532421216 /nfs/dbraw/zinc/42/12/16/532421216.db2.gz MPTKMLFKMDMSOQ-OAHLLOKOSA-N 1 2 381.270 2.458 20 0 GEADLO O=C(CC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1)Nc1cccc(Br)c1 ZINC000560713596 532421224 /nfs/dbraw/zinc/42/12/24/532421224.db2.gz MPTKMLFKMDMSOQ-OAHLLOKOSA-N 1 2 381.270 2.458 20 0 GEADLO NS(=O)(=O)c1ccccc1N1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000625359262 532421237 /nfs/dbraw/zinc/42/12/37/532421237.db2.gz SEBVULJYJDSYKN-UHFFFAOYSA-N 1 2 381.885 2.015 20 0 GEADLO O=C(C[N@@H+]1CCC12CCCC2)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000649655692 532421431 /nfs/dbraw/zinc/42/14/31/532421431.db2.gz LMWMCVQSQHGPJC-OAHLLOKOSA-N 1 2 382.551 2.282 20 0 GEADLO O=C(C[N@H+]1CCC12CCCC2)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000649655692 532421437 /nfs/dbraw/zinc/42/14/37/532421437.db2.gz LMWMCVQSQHGPJC-OAHLLOKOSA-N 1 2 382.551 2.282 20 0 GEADLO O=S(=O)(c1cccs1)N1CC[C@@H](CNc2cc(NC3CC3)nc[nH+]2)C1 ZINC000560839981 532426146 /nfs/dbraw/zinc/42/61/46/532426146.db2.gz JKKTZOSQLXVCJP-LBPRGKRZSA-N 1 2 379.511 2.235 20 0 GEADLO O=S(=O)(c1cccs1)N1CC[C@@H](CNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000560839981 532426150 /nfs/dbraw/zinc/42/61/50/532426150.db2.gz JKKTZOSQLXVCJP-LBPRGKRZSA-N 1 2 379.511 2.235 20 0 GEADLO O=C(CN1CCC=C(Br)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000281598130 532425741 /nfs/dbraw/zinc/42/57/41/532425741.db2.gz HSZRQKZDAPOZOO-UHFFFAOYSA-N 1 2 394.313 2.442 20 0 GEADLO CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000466526145 532430413 /nfs/dbraw/zinc/43/04/13/532430413.db2.gz AZIUNFHHLZZQTF-BBRMVZONSA-N 1 2 384.929 2.368 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000193691222 532431463 /nfs/dbraw/zinc/43/14/63/532431463.db2.gz GEXLVWUQPXWBOS-UHFFFAOYSA-N 1 2 384.249 2.275 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000626166034 532435501 /nfs/dbraw/zinc/43/55/01/532435501.db2.gz LLZPYEWHKMGVGS-LBPRGKRZSA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000626166034 532435505 /nfs/dbraw/zinc/43/55/05/532435505.db2.gz LLZPYEWHKMGVGS-LBPRGKRZSA-N 1 2 379.295 2.349 20 0 GEADLO O=S1(=O)CC[C@@]2(C1)CCCN(Cc1cn3cc(Br)ccc3[nH+]1)C2 ZINC000650098893 532435774 /nfs/dbraw/zinc/43/57/74/532435774.db2.gz CQIPLOMKHNFRKY-INIZCTEOSA-N 1 2 398.326 2.498 20 0 GEADLO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000681691463 532436159 /nfs/dbraw/zinc/43/61/59/532436159.db2.gz QOQZGUOOEVBHMO-GFCCVEGCSA-N 1 2 375.372 2.216 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccsc1 ZINC000561463810 532440923 /nfs/dbraw/zinc/44/09/23/532440923.db2.gz RQZBASUZOKBSMZ-ZFWWWQNUSA-N 1 2 387.571 2.396 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000518352426 532440065 /nfs/dbraw/zinc/44/00/65/532440065.db2.gz BAICTXOFBORDBP-AWEZNQCLSA-N 1 2 391.269 2.435 20 0 GEADLO O=C(c1c(F)ccc(Br)c1F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000373324214 532442442 /nfs/dbraw/zinc/44/24/42/532442442.db2.gz OHILDHAFZZUPGV-JTQLQIEISA-N 1 2 375.213 2.274 20 0 GEADLO C[S@@](=O)C1(CNC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000282065531 532442994 /nfs/dbraw/zinc/44/29/94/532442994.db2.gz CEVOCBAZBOMRAZ-RUZDIDTESA-N 1 2 383.945 2.468 20 0 GEADLO C[S@@](=O)C1(CNC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000282065531 532442999 /nfs/dbraw/zinc/44/29/99/532442999.db2.gz CEVOCBAZBOMRAZ-RUZDIDTESA-N 1 2 383.945 2.468 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2nc3cc(Cl)ccc3s2)CC1 ZINC000650383294 532442132 /nfs/dbraw/zinc/44/21/32/532442132.db2.gz JSGPHKZVSWRMFA-UHFFFAOYSA-N 1 2 383.901 2.371 20 0 GEADLO COc1nc(N2CC[NH+]([C@H](C)c3cnc(C)cn3)CC2)ncc1Br ZINC000428254165 532447834 /nfs/dbraw/zinc/44/78/34/532447834.db2.gz UESAHDWAYYONDB-GFCCVEGCSA-N 1 2 393.289 2.229 20 0 GEADLO CCc1nc(C)c(C[NH+]2CCN(c3ncc(Br)c(OC)n3)CC2)o1 ZINC000428252659 532448035 /nfs/dbraw/zinc/44/80/35/532448035.db2.gz KADPMAVVWLZJPW-UHFFFAOYSA-N 1 2 396.289 2.429 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)[C@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000373377550 532446014 /nfs/dbraw/zinc/44/60/14/532446014.db2.gz LDBOYYBLFKXSOE-RCBQFDQVSA-N 1 2 376.881 2.323 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)[C@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000373377550 532446025 /nfs/dbraw/zinc/44/60/25/532446025.db2.gz LDBOYYBLFKXSOE-RCBQFDQVSA-N 1 2 376.881 2.323 20 0 GEADLO CSc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1Br ZINC000627282201 532450182 /nfs/dbraw/zinc/45/01/82/532450182.db2.gz VUPOVYGZMGKLQR-UHFFFAOYSA-N 1 2 398.326 2.416 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CCOCC(F)(F)F ZINC000562004944 532456894 /nfs/dbraw/zinc/45/68/94/532456894.db2.gz JKGHMXQGZKGERR-CQSZACIVSA-N 1 2 380.432 2.101 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CCOCC(F)(F)F ZINC000562004944 532456901 /nfs/dbraw/zinc/45/69/01/532456901.db2.gz JKGHMXQGZKGERR-CQSZACIVSA-N 1 2 380.432 2.101 20 0 GEADLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000467930213 532457065 /nfs/dbraw/zinc/45/70/65/532457065.db2.gz CTLPCLRCSSWNEM-UHFFFAOYSA-N 1 2 388.229 2.138 20 0 GEADLO COc1nc(N2CC[NH+](Cc3cc(C)ccn3)CC2)ncc1Br ZINC000683011182 532454223 /nfs/dbraw/zinc/45/42/23/532454223.db2.gz JRSSWPYYBYEMIF-UHFFFAOYSA-N 1 2 378.274 2.273 20 0 GEADLO Cc1cccn2cc(CCNC(=O)c3cc[nH]c(=O)c3Br)[nH+]c12 ZINC000683623198 532462626 /nfs/dbraw/zinc/46/26/26/532462626.db2.gz FKJDXMVXEKPWHJ-UHFFFAOYSA-N 1 2 375.226 2.478 20 0 GEADLO Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCn4c[nH+]cc4C3)cc2s1 ZINC000562159100 532459594 /nfs/dbraw/zinc/45/95/94/532459594.db2.gz UVGLMZCVBMGKGF-UHFFFAOYSA-N 1 2 375.841 2.436 20 0 GEADLO Cc1cc(C)n2nc(S(=O)(=O)Cc3cn4cc(Cl)ccc4[nH+]3)nc2n1 ZINC000195090660 532467284 /nfs/dbraw/zinc/46/72/84/532467284.db2.gz MUMQYMKUILMXLA-UHFFFAOYSA-N 1 2 376.829 2.016 20 0 GEADLO Cn1cnc(S(=O)(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1Cl ZINC000282416973 532465660 /nfs/dbraw/zinc/46/56/60/532465660.db2.gz SZEABLVEFUOJEK-LBPRGKRZSA-N 1 2 383.905 2.175 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc(Br)cs1 ZINC000195045098 532465904 /nfs/dbraw/zinc/46/59/04/532465904.db2.gz LOFYESIOMXWHMA-AWEZNQCLSA-N 1 2 391.356 2.448 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2noc3ccc(Br)cc32)CC1 ZINC000519491185 532466505 /nfs/dbraw/zinc/46/65/05/532466505.db2.gz FQSYPKHSJBMUTK-NSHDSACASA-N 1 2 393.285 2.379 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2cccc(I)c2)CCO1 ZINC000194903562 532463023 /nfs/dbraw/zinc/46/30/23/532463023.db2.gz LGCDOBFEJMVUPX-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2cccc(I)c2)CCO1 ZINC000194903562 532463031 /nfs/dbraw/zinc/46/30/31/532463031.db2.gz LGCDOBFEJMVUPX-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000628475408 532469318 /nfs/dbraw/zinc/46/93/18/532469318.db2.gz RJMDDJDNOJCGEC-AWEZNQCLSA-N 1 2 393.285 2.019 20 0 GEADLO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000628475408 532469323 /nfs/dbraw/zinc/46/93/23/532469323.db2.gz RJMDDJDNOJCGEC-AWEZNQCLSA-N 1 2 393.285 2.019 20 0 GEADLO CC(C)NS(=O)(=O)N1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000519549699 532469959 /nfs/dbraw/zinc/46/99/59/532469959.db2.gz HHFHMRQRMIBHMI-UHFFFAOYSA-N 1 2 396.340 2.233 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)Cc1ccc(Cl)c(F)c1)C(C)(C)CO ZINC000295725960 532471929 /nfs/dbraw/zinc/47/19/29/532471929.db2.gz MBIGECMYLDYMPR-AWEZNQCLSA-N 1 2 389.880 2.392 20 0 GEADLO Cc1ccc(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1C ZINC000429316846 532473536 /nfs/dbraw/zinc/47/35/36/532473536.db2.gz MILVAPSHTSNNEW-UHFFFAOYSA-N 1 2 379.448 2.254 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000628915461 532477010 /nfs/dbraw/zinc/47/70/10/532477010.db2.gz BSGIUOIDDOCUCP-GFCCVEGCSA-N 1 2 378.885 2.342 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000628915461 532477021 /nfs/dbraw/zinc/47/70/21/532477021.db2.gz BSGIUOIDDOCUCP-GFCCVEGCSA-N 1 2 378.885 2.342 20 0 GEADLO C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)[NH+]1CCSCC1 ZINC000628906688 532477153 /nfs/dbraw/zinc/47/71/53/532477153.db2.gz KNLYBHOQGKUEOG-SMDDNHRTSA-N 1 2 385.892 2.138 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000628916797 532477248 /nfs/dbraw/zinc/47/72/48/532477248.db2.gz KHADFOSHWQFFGA-NSHDSACASA-N 1 2 380.798 2.003 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000628916797 532477256 /nfs/dbraw/zinc/47/72/56/532477256.db2.gz KHADFOSHWQFFGA-NSHDSACASA-N 1 2 380.798 2.003 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CCC[C@@H]2c2[nH+]ccn2C)c(=O)n1C ZINC000373892765 532477509 /nfs/dbraw/zinc/47/75/09/532477509.db2.gz NAVQIDLOFFTLGH-CYBMUJFWSA-N 1 2 379.258 2.167 20 0 GEADLO Cc1sc2ncnc(SCCC(=O)NC[C@H]3COCC[N@H+]3C)c2c1C ZINC000628917831 532477560 /nfs/dbraw/zinc/47/75/60/532477560.db2.gz DQVJHVHYALGOKW-ZDUSSCGKSA-N 1 2 380.539 2.237 20 0 GEADLO Cc1sc2ncnc(SCCC(=O)NC[C@H]3COCC[N@@H+]3C)c2c1C ZINC000628917831 532477564 /nfs/dbraw/zinc/47/75/64/532477564.db2.gz DQVJHVHYALGOKW-ZDUSSCGKSA-N 1 2 380.539 2.237 20 0 GEADLO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628919469 532477652 /nfs/dbraw/zinc/47/76/52/532477652.db2.gz UHAPXRZMBNUZPU-NVXWUHKLSA-N 1 2 399.329 2.091 20 0 GEADLO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628919469 532477653 /nfs/dbraw/zinc/47/76/53/532477653.db2.gz UHAPXRZMBNUZPU-NVXWUHKLSA-N 1 2 399.329 2.091 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000468839104 532477746 /nfs/dbraw/zinc/47/77/46/532477746.db2.gz GGXYAOHBHWJRAO-OLZOCXBDSA-N 1 2 387.889 2.317 20 0 GEADLO NS(=O)(=O)CC1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000519772683 532478013 /nfs/dbraw/zinc/47/80/13/532478013.db2.gz LMJQEQOKPXTULF-UHFFFAOYSA-N 1 2 383.258 2.228 20 0 GEADLO Cc1c[nH+]ccc1NC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000373931270 532478207 /nfs/dbraw/zinc/47/82/07/532478207.db2.gz WBWPXQUXDUICJN-HNNXBMFYSA-N 1 2 389.253 2.279 20 0 GEADLO Cc1cc(NC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)cc[nH+]1 ZINC000373930500 532478218 /nfs/dbraw/zinc/47/82/18/532478218.db2.gz SNBHJWIKTFKOKS-HNNXBMFYSA-N 1 2 389.253 2.279 20 0 GEADLO Cc1cc(Br)sc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000651567371 532478247 /nfs/dbraw/zinc/47/82/47/532478247.db2.gz AXZGOGNUZXQJCD-SNVBAGLBSA-N 1 2 397.360 2.066 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)CC1 ZINC000651582777 532479401 /nfs/dbraw/zinc/47/94/01/532479401.db2.gz IVWYJEOCPXIXKG-LLVKDONJSA-N 1 2 387.354 2.273 20 0 GEADLO COC(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccc(Br)o2)n1 ZINC000468888850 532480046 /nfs/dbraw/zinc/48/00/46/532480046.db2.gz IJTOQFIJKCYRGY-UHFFFAOYSA-N 1 2 382.214 2.294 20 0 GEADLO COC(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccc(Br)o2)n1 ZINC000468888850 532480054 /nfs/dbraw/zinc/48/00/54/532480054.db2.gz IJTOQFIJKCYRGY-UHFFFAOYSA-N 1 2 382.214 2.294 20 0 GEADLO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)CC[S@]1=O ZINC000429569882 532480591 /nfs/dbraw/zinc/48/05/91/532480591.db2.gz NEORYCFWFQDVLM-MTNMJMNLSA-N 1 2 376.316 2.032 20 0 GEADLO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)CC[S@]1=O ZINC000429569882 532480596 /nfs/dbraw/zinc/48/05/96/532480596.db2.gz NEORYCFWFQDVLM-MTNMJMNLSA-N 1 2 376.316 2.032 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000519832349 532480939 /nfs/dbraw/zinc/48/09/39/532480939.db2.gz HFGDPSBJMANHDW-UONOGXRCSA-N 1 2 378.416 2.002 20 0 GEADLO O=C1[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C[C@@H]2CCCCN12 ZINC000562805195 532483525 /nfs/dbraw/zinc/48/35/25/532483525.db2.gz NXVHCCDNHGUCST-ZFWWWQNUSA-N 1 2 390.285 2.273 20 0 GEADLO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCOCC(F)F)CC1 ZINC000468993356 532485671 /nfs/dbraw/zinc/48/56/71/532485671.db2.gz OQDXBPNISUFTQT-INIZCTEOSA-N 1 2 376.831 2.453 20 0 GEADLO CN(C)c1[nH+]cccc1CNC(=O)Nc1cc2ccc(Br)cn2n1 ZINC000429966051 532486038 /nfs/dbraw/zinc/48/60/38/532486038.db2.gz IXNXXMGZOXZLCE-UHFFFAOYSA-N 1 2 389.257 2.880 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@@H]2N1 ZINC000374046501 532487031 /nfs/dbraw/zinc/48/70/31/532487031.db2.gz VPWKZGANMTUZRX-GJZGRUSLSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@@H]2N1 ZINC000374046501 532487037 /nfs/dbraw/zinc/48/70/37/532487037.db2.gz VPWKZGANMTUZRX-GJZGRUSLSA-N 1 2 392.253 2.193 20 0 GEADLO C[C@H]1CC[C@H](CNC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)O1 ZINC000562926198 532488006 /nfs/dbraw/zinc/48/80/06/532488006.db2.gz WGXDKEWRDSVXGX-NWDGAFQWSA-N 1 2 399.289 2.370 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2nccn3c(Br)cnc23)CC1(C)C ZINC000295931284 532488485 /nfs/dbraw/zinc/48/84/85/532488485.db2.gz PLUGRQWIYBATHR-LBPRGKRZSA-N 1 2 389.257 2.449 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000430112753 532488705 /nfs/dbraw/zinc/48/87/05/532488705.db2.gz ZDUZIWSNXPOIRK-KRWDZBQOSA-N 1 2 382.917 2.300 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000430112753 532488711 /nfs/dbraw/zinc/48/87/11/532488711.db2.gz ZDUZIWSNXPOIRK-KRWDZBQOSA-N 1 2 382.917 2.300 20 0 GEADLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2nccn3c(Br)cnc23)CC1(C)C ZINC000295931276 532488794 /nfs/dbraw/zinc/48/87/94/532488794.db2.gz PLUGRQWIYBATHR-GFCCVEGCSA-N 1 2 389.257 2.449 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(Cl)c(F)c1)C(C)(C)CO ZINC000651725115 532491518 /nfs/dbraw/zinc/49/15/18/532491518.db2.gz SZJJGPUQIYSRKM-ZDUSSCGKSA-N 1 2 375.853 2.251 20 0 GEADLO O=C1N[C@@]2(CCc3cc(Br)ccc3C2)C(=O)N1CCn1cc[nH+]c1 ZINC000629444947 532491811 /nfs/dbraw/zinc/49/18/11/532491811.db2.gz VEHPKBZKWIANPY-QGZVFWFLSA-N 1 2 389.253 2.125 20 0 GEADLO CN(C)c1[nH+]cccc1NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000520646441 532496533 /nfs/dbraw/zinc/49/65/33/532496533.db2.gz ZLUSYXCDTLWVRC-UHFFFAOYSA-N 1 2 381.230 2.214 20 0 GEADLO CC(C)(CNC(=O)NCc1ccsc1Br)[NH+]1CCOCC1 ZINC000282547589 532475776 /nfs/dbraw/zinc/47/57/76/532475776.db2.gz WXQMWACKSQPGQY-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000628911383 532476088 /nfs/dbraw/zinc/47/60/88/532476088.db2.gz BDUDILGSLDZQMF-INIZCTEOSA-N 1 2 382.302 2.110 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000628911383 532476094 /nfs/dbraw/zinc/47/60/94/532476094.db2.gz BDUDILGSLDZQMF-INIZCTEOSA-N 1 2 382.302 2.110 20 0 GEADLO Cn1cnc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC000521014649 532503633 /nfs/dbraw/zinc/50/36/33/532503633.db2.gz QWEURXZFGAMMCA-INIZCTEOSA-N 1 2 382.917 2.407 20 0 GEADLO Cn1cnc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000521014649 532503638 /nfs/dbraw/zinc/50/36/38/532503638.db2.gz QWEURXZFGAMMCA-INIZCTEOSA-N 1 2 382.917 2.407 20 0 GEADLO CCc1nnc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)[nH]1 ZINC000296191347 532504474 /nfs/dbraw/zinc/50/44/74/532504474.db2.gz YMQZDFILPGCLDR-UHFFFAOYSA-N 1 2 380.290 2.256 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)cc1Cl ZINC000563436136 532504633 /nfs/dbraw/zinc/50/46/33/532504633.db2.gz UAWNLVGWNIVNCS-ZDUSSCGKSA-N 1 2 388.917 2.222 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)cc1Cl ZINC000563436136 532504639 /nfs/dbraw/zinc/50/46/39/532504639.db2.gz UAWNLVGWNIVNCS-ZDUSSCGKSA-N 1 2 388.917 2.222 20 0 GEADLO Cc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)c1Br ZINC000469569123 532504889 /nfs/dbraw/zinc/50/48/89/532504889.db2.gz QFHOJXPJOZTXQD-UHFFFAOYSA-N 1 2 391.269 2.473 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000563435346 532505311 /nfs/dbraw/zinc/50/53/11/532505311.db2.gz JPXUXNJOTXQHQX-ZDUSSCGKSA-N 1 2 381.523 2.170 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000563435346 532505317 /nfs/dbraw/zinc/50/53/17/532505317.db2.gz JPXUXNJOTXQHQX-ZDUSSCGKSA-N 1 2 381.523 2.170 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)cc1Cl ZINC000563436135 532505631 /nfs/dbraw/zinc/50/56/31/532505631.db2.gz UAWNLVGWNIVNCS-CYBMUJFWSA-N 1 2 388.917 2.222 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)cc1Cl ZINC000563436135 532505636 /nfs/dbraw/zinc/50/56/36/532505636.db2.gz UAWNLVGWNIVNCS-CYBMUJFWSA-N 1 2 388.917 2.222 20 0 GEADLO O=C(N[C@H]1CC[S@](=O)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000521164908 532507677 /nfs/dbraw/zinc/50/76/77/532507677.db2.gz VKTRVKYHIHPKDG-LMKMVOKYSA-N 1 2 380.901 2.269 20 0 GEADLO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000374542286 532509394 /nfs/dbraw/zinc/50/93/94/532509394.db2.gz FHPZCCWQXKTJGX-SNVBAGLBSA-N 1 2 376.331 2.480 20 0 GEADLO CC(C)S(=O)(=O)CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469770297 532511353 /nfs/dbraw/zinc/51/13/53/532511353.db2.gz UBNSMFTZTBJHCB-CQSZACIVSA-N 1 2 380.432 2.248 20 0 GEADLO Cc1ccn(CC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)c(=O)c1 ZINC000469784302 532511579 /nfs/dbraw/zinc/51/15/79/532511579.db2.gz WVQVHQXQPFDGFX-UHFFFAOYSA-N 1 2 389.253 2.192 20 0 GEADLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccc(Cl)nc1Cl ZINC000282990608 532511798 /nfs/dbraw/zinc/51/17/98/532511798.db2.gz DYODTGTTYFNIFU-GFCCVEGCSA-N 1 2 375.300 2.371 20 0 GEADLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ccc(Cl)nc1Cl ZINC000282990608 532511803 /nfs/dbraw/zinc/51/18/03/532511803.db2.gz DYODTGTTYFNIFU-GFCCVEGCSA-N 1 2 375.300 2.371 20 0 GEADLO Cn1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cn1 ZINC000521349932 532513388 /nfs/dbraw/zinc/51/33/88/532513388.db2.gz HKFIXEOQBBDCEM-MRXNPFEDSA-N 1 2 382.917 2.407 20 0 GEADLO Cn1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cn1 ZINC000521349932 532513396 /nfs/dbraw/zinc/51/33/96/532513396.db2.gz HKFIXEOQBBDCEM-MRXNPFEDSA-N 1 2 382.917 2.407 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(Br)cc1-n1cncn1)CC2 ZINC000374683073 532514521 /nfs/dbraw/zinc/51/45/21/532514521.db2.gz ODXUXTPZAPKXND-UHFFFAOYSA-N 1 2 387.241 2.191 20 0 GEADLO COc1ccc(C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)cc1Br ZINC000521579343 532515518 /nfs/dbraw/zinc/51/55/18/532515518.db2.gz OUDVIXNNHUPBHN-UHFFFAOYSA-N 1 2 393.285 2.149 20 0 GEADLO COCC[N@H+](C)Cc1cn(Cc2ccc(I)cc2)nn1 ZINC000594657215 532516370 /nfs/dbraw/zinc/51/63/70/532516370.db2.gz RSEIUJNNTWTIMH-UHFFFAOYSA-N 1 2 386.237 2.009 20 0 GEADLO COCC[N@@H+](C)Cc1cn(Cc2ccc(I)cc2)nn1 ZINC000594657215 532516374 /nfs/dbraw/zinc/51/63/74/532516374.db2.gz RSEIUJNNTWTIMH-UHFFFAOYSA-N 1 2 386.237 2.009 20 0 GEADLO CC1(C)[C@H]([NH2+]Cc2nnc(S(C)(=O)=O)s2)C[C@@H]1OCc1ccccc1 ZINC000296364531 532516582 /nfs/dbraw/zinc/51/65/82/532516582.db2.gz SGKRSBZDDGSSQU-KGLIPLIRSA-N 1 2 381.523 2.415 20 0 GEADLO CC[C@H](Cc1ccccc1Br)NC(=O)NCC[NH+]1CCOCC1 ZINC000469990941 532517185 /nfs/dbraw/zinc/51/71/85/532517185.db2.gz MILGMVZHDNUUFV-OAHLLOKOSA-N 1 2 384.318 2.402 20 0 GEADLO COc1cc[nH+]cc1CNS(=O)(=O)c1cccc(Br)c1F ZINC000431581327 532517377 /nfs/dbraw/zinc/51/73/77/532517377.db2.gz YZLLJXNJAWDCTF-UHFFFAOYSA-N 1 2 375.219 2.470 20 0 GEADLO COc1cc[nH+]cc1CNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000431603743 532517545 /nfs/dbraw/zinc/51/75/45/532517545.db2.gz LKDRTWBTEBMMIW-UHFFFAOYSA-N 1 2 387.820 2.320 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000374307969 532497829 /nfs/dbraw/zinc/49/78/29/532497829.db2.gz CYPAVRFGCORBPI-CYBMUJFWSA-N 1 2 389.308 2.371 20 0 GEADLO C[N@H+](Cc1ccc(Br)cc1)[C@H]1CC(=O)N(c2cnccn2)C1=O ZINC000520778075 532498850 /nfs/dbraw/zinc/49/88/50/532498850.db2.gz WSBRZNNHDIKHGQ-ZDUSSCGKSA-N 1 2 375.226 2.003 20 0 GEADLO C[N@@H+](Cc1ccc(Br)cc1)[C@H]1CC(=O)N(c2cnccn2)C1=O ZINC000520778075 532498861 /nfs/dbraw/zinc/49/88/61/532498861.db2.gz WSBRZNNHDIKHGQ-ZDUSSCGKSA-N 1 2 375.226 2.003 20 0 GEADLO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1n[nH]cc1Br ZINC000563345487 532499906 /nfs/dbraw/zinc/49/99/06/532499906.db2.gz RCHZZSMYQOOHPC-MRVPVSSYSA-N 1 2 390.079 2.275 20 0 GEADLO O=C(c1cccc(I)c1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374382397 532500203 /nfs/dbraw/zinc/50/02/03/532500203.db2.gz AAEXOTHCLXPCNW-HNNXBMFYSA-N 1 2 393.228 2.473 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374406318 532500439 /nfs/dbraw/zinc/50/04/39/532500439.db2.gz ZPAJDFYUUFDLFP-LBPRGKRZSA-N 1 2 383.905 2.175 20 0 GEADLO COc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)nc1Br ZINC000374379190 532500564 /nfs/dbraw/zinc/50/05/64/532500564.db2.gz VNCIIJCUDGZASS-ZDUSSCGKSA-N 1 2 377.242 2.034 20 0 GEADLO C[C@H](NC(=O)c1ccc2cncc(Br)c2n1)[C@H](C)[NH+]1CCOCC1 ZINC000630934186 532536845 /nfs/dbraw/zinc/53/68/45/532536845.db2.gz GSGXICUUEOTNFF-RYUDHWBXSA-N 1 2 393.285 2.231 20 0 GEADLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000246438432 532538903 /nfs/dbraw/zinc/53/89/03/532538903.db2.gz WGSOGBQKKOBYHT-YPMHNXCESA-N 1 2 392.677 2.480 20 0 GEADLO COC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000246438432 532538905 /nfs/dbraw/zinc/53/89/05/532538905.db2.gz WGSOGBQKKOBYHT-YPMHNXCESA-N 1 2 392.677 2.480 20 0 GEADLO C[C@@H]1OCC[C@@]12C[N@@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)CCO2 ZINC000470932102 532539308 /nfs/dbraw/zinc/53/93/08/532539308.db2.gz NSHFSSSCIWBUSH-FDQGKXFDSA-N 1 2 395.297 2.434 20 0 GEADLO C[C@@H]1OCC[C@@]12C[N@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)CCO2 ZINC000470932102 532539312 /nfs/dbraw/zinc/53/93/12/532539312.db2.gz NSHFSSSCIWBUSH-FDQGKXFDSA-N 1 2 395.297 2.434 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000296765697 532540919 /nfs/dbraw/zinc/54/09/19/532540919.db2.gz FMLUJRDHVOAEBN-UHFFFAOYSA-N 1 2 394.273 2.089 20 0 GEADLO NC(=O)[C@H]([NH2+][C@@H]1CCc2ccc(I)cc21)c1ccccn1 ZINC000595040159 532542239 /nfs/dbraw/zinc/54/22/39/532542239.db2.gz CYKZDFCLRMPOGZ-UKRRQHHQSA-N 1 2 393.228 2.490 20 0 GEADLO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375198184 532542808 /nfs/dbraw/zinc/54/28/08/532542808.db2.gz UWNHCKCNVBWMER-NSHDSACASA-N 1 2 376.360 2.272 20 0 GEADLO COC(=O)c1cccc(Br)c1C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000432788026 532545658 /nfs/dbraw/zinc/54/56/58/532545658.db2.gz VUFPGWDXXYBBEG-UHFFFAOYSA-N 1 2 378.226 2.290 20 0 GEADLO COC(=O)c1cccc(Br)c1C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000432788026 532545661 /nfs/dbraw/zinc/54/56/61/532545661.db2.gz VUFPGWDXXYBBEG-UHFFFAOYSA-N 1 2 378.226 2.290 20 0 GEADLO CC(C)n1ncnc1C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000631133983 532543816 /nfs/dbraw/zinc/54/38/16/532543816.db2.gz NPZMHSKWCSECTN-UHFFFAOYSA-N 1 2 392.312 2.234 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000565036547 532544558 /nfs/dbraw/zinc/54/45/58/532544558.db2.gz VHIJVSNOCPTPNP-LBPRGKRZSA-N 1 2 391.269 2.305 20 0 GEADLO CC(C)(C(=O)NC[C@H]1C[NH+]2CCN1CC2)c1csc(-c2cccs2)n1 ZINC000283518943 532544783 /nfs/dbraw/zinc/54/47/83/532544783.db2.gz MYGLRDNEHWYNRU-ZDUSSCGKSA-N 1 2 376.551 2.265 20 0 GEADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000470201629 532522652 /nfs/dbraw/zinc/52/26/52/532522652.db2.gz IOIDVBWSSJASSI-ZDUSSCGKSA-N 1 2 386.539 2.280 20 0 GEADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000470201629 532522656 /nfs/dbraw/zinc/52/26/56/532522656.db2.gz IOIDVBWSSJASSI-ZDUSSCGKSA-N 1 2 386.539 2.280 20 0 GEADLO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000564494273 532524566 /nfs/dbraw/zinc/52/45/66/532524566.db2.gz DPISGZLXSGZSPY-LBPRGKRZSA-N 1 2 391.269 2.347 20 0 GEADLO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000564494273 532524571 /nfs/dbraw/zinc/52/45/71/532524571.db2.gz DPISGZLXSGZSPY-LBPRGKRZSA-N 1 2 391.269 2.347 20 0 GEADLO CN(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cn1 ZINC000470236597 532524866 /nfs/dbraw/zinc/52/48/66/532524866.db2.gz HJIHOXKZLLZPIJ-INIZCTEOSA-N 1 2 382.917 2.382 20 0 GEADLO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000245918190 532527018 /nfs/dbraw/zinc/52/70/18/532527018.db2.gz WMAASZZBOJHDQE-BZUAXINKSA-N 1 2 397.313 2.227 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)COc2ccc(Br)cc2F)CCO1 ZINC000470453330 532528574 /nfs/dbraw/zinc/52/85/74/532528574.db2.gz MNCLOGWRDBYGBQ-CYBMUJFWSA-N 1 2 389.265 2.194 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)COc2ccc(Br)cc2F)CCO1 ZINC000470453330 532528581 /nfs/dbraw/zinc/52/85/81/532528581.db2.gz MNCLOGWRDBYGBQ-CYBMUJFWSA-N 1 2 389.265 2.194 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000245967275 532528854 /nfs/dbraw/zinc/52/88/54/532528854.db2.gz VRJAKJDBCDIIPE-CZUORRHYSA-N 1 2 383.286 2.463 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000245967275 532528865 /nfs/dbraw/zinc/52/88/65/532528865.db2.gz VRJAKJDBCDIIPE-CZUORRHYSA-N 1 2 383.286 2.463 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)[C@@H]2COc3ccc(Br)cc32)CCO1 ZINC000470454038 532529295 /nfs/dbraw/zinc/52/92/95/532529295.db2.gz SCNGTPWSSFEARK-DZGCQCFKSA-N 1 2 383.286 2.152 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H]2COc3ccc(Br)cc32)CCO1 ZINC000470454038 532529301 /nfs/dbraw/zinc/52/93/01/532529301.db2.gz SCNGTPWSSFEARK-DZGCQCFKSA-N 1 2 383.286 2.152 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)CCOc2ccccc2Br)CCO1 ZINC000470462857 532530327 /nfs/dbraw/zinc/53/03/27/532530327.db2.gz BMAIEFXXXKKKHN-AWEZNQCLSA-N 1 2 385.302 2.445 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)CCOc2ccccc2Br)CCO1 ZINC000470462857 532530329 /nfs/dbraw/zinc/53/03/29/532530329.db2.gz BMAIEFXXXKKKHN-AWEZNQCLSA-N 1 2 385.302 2.445 20 0 GEADLO CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H](C)CS(C)(=O)=O ZINC000564751626 532531231 /nfs/dbraw/zinc/53/12/31/532531231.db2.gz WMTGWMXJYFRJGJ-XJKSGUPXSA-N 1 2 389.949 2.407 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)C(=O)NCc1[nH+]ccn1CC ZINC000296630650 532532485 /nfs/dbraw/zinc/53/24/85/532532485.db2.gz YEFPDFYUWANYDT-UHFFFAOYSA-N 1 2 395.257 2.319 20 0 GEADLO Cc1nc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)sc1Br ZINC000375106810 532534456 /nfs/dbraw/zinc/53/44/56/532534456.db2.gz VFRATHJBCMFVFF-UHFFFAOYSA-N 1 2 391.316 2.225 20 0 GEADLO C[N@H+](CCOc1ccc(Br)cc1)Cc1nnnn1C1CCOCC1 ZINC000432954635 532550195 /nfs/dbraw/zinc/55/01/95/532550195.db2.gz ODWYDTPQCMAWOW-UHFFFAOYSA-N 1 2 396.289 2.298 20 0 GEADLO C[N@@H+](CCOc1ccc(Br)cc1)Cc1nnnn1C1CCOCC1 ZINC000432954635 532550198 /nfs/dbraw/zinc/55/01/98/532550198.db2.gz ODWYDTPQCMAWOW-UHFFFAOYSA-N 1 2 396.289 2.298 20 0 GEADLO COc1c(C)c[nH+]c(Cn2cnc(NS(=O)(=O)c3cccs3)n2)c1C ZINC000432949136 532550347 /nfs/dbraw/zinc/55/03/47/532550347.db2.gz NSOJDAXJFZRJOQ-UHFFFAOYSA-N 1 2 379.467 2.209 20 0 GEADLO Cc1cc(N2CC[C@@H](CO)[C@@H](O)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631242959 532550890 /nfs/dbraw/zinc/55/08/90/532550890.db2.gz XVYSFDSZDDAWAY-ZFWWWQNUSA-N 1 2 378.270 2.394 20 0 GEADLO O=C(c1ccccc1Cl)N1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000375352055 532551743 /nfs/dbraw/zinc/55/17/43/532551743.db2.gz GIUQQGUGVBNPML-HNNXBMFYSA-N 1 2 384.929 2.313 20 0 GEADLO O=C(c1ccccc1Cl)N1CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000375352055 532551748 /nfs/dbraw/zinc/55/17/48/532551748.db2.gz GIUQQGUGVBNPML-HNNXBMFYSA-N 1 2 384.929 2.313 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000565181127 532552131 /nfs/dbraw/zinc/55/21/31/532552131.db2.gz JLQQWJMLCUCLQI-GFCCVEGCSA-N 1 2 393.285 2.287 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000565181127 532552137 /nfs/dbraw/zinc/55/21/37/532552137.db2.gz JLQQWJMLCUCLQI-GFCCVEGCSA-N 1 2 393.285 2.287 20 0 GEADLO Cc1nnc2n1C[C@H](C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)CC2 ZINC000654182213 532552152 /nfs/dbraw/zinc/55/21/52/532552152.db2.gz LQYMNQTZWLCAAY-SNVBAGLBSA-N 1 2 379.262 2.011 20 0 GEADLO C[C@@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)[NH+]1CC(C)C1 ZINC000565181823 532552313 /nfs/dbraw/zinc/55/23/13/532552313.db2.gz OMROKSUCVYAYDL-LBPRGKRZSA-N 1 2 378.274 2.368 20 0 GEADLO O=c1[nH]ccnc1N1CCC[C@H]([NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527694952 532552381 /nfs/dbraw/zinc/55/23/81/532552381.db2.gz FCZFQWOCQFUSQA-NSHDSACASA-N 1 2 398.692 2.339 20 0 GEADLO Fc1cc(Br)cnc1CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000527682606 532552537 /nfs/dbraw/zinc/55/25/37/532552537.db2.gz FZRPORWSMZCMMF-UHFFFAOYSA-N 1 2 384.253 2.124 20 0 GEADLO C[C@H](CNC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)[NH+]1CCN(C)CC1 ZINC000631286755 532552663 /nfs/dbraw/zinc/55/26/63/532552663.db2.gz CCHRJIXTYUZPLC-QRVDHSFSSA-N 1 2 392.341 2.087 20 0 GEADLO C[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1ncc(Br)cn1 ZINC000433004930 532553303 /nfs/dbraw/zinc/55/33/03/532553303.db2.gz INZKQZGHHZOMJF-SNVBAGLBSA-N 1 2 378.230 2.238 20 0 GEADLO COC(=O)C1CC[NH+](CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000595288054 532553365 /nfs/dbraw/zinc/55/33/65/532553365.db2.gz XVKHGRGHBWTOJL-UHFFFAOYSA-N 1 2 380.242 2.393 20 0 GEADLO CC(C)(C(=O)N[C@H]1CCOc2c(Br)cccc21)[NH+]1CCOCC1 ZINC000283738703 532554239 /nfs/dbraw/zinc/55/42/39/532554239.db2.gz GOFLSLSHLUAWLY-AWEZNQCLSA-N 1 2 383.286 2.500 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)NCCCNc2cccc[nH+]2)s1 ZINC000471669481 532554743 /nfs/dbraw/zinc/55/47/43/532554743.db2.gz WQPXNCFXSLMIOH-UHFFFAOYSA-N 1 2 382.511 2.238 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000471646104 532555710 /nfs/dbraw/zinc/55/57/10/532555710.db2.gz SYDGPPYMPZKURW-CZUORRHYSA-N 1 2 384.929 2.368 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cc(O)cc(Br)c1 ZINC000527872651 532557143 /nfs/dbraw/zinc/55/71/43/532557143.db2.gz WCRVCLFSAFVJMU-UHFFFAOYSA-N 1 2 392.253 2.316 20 0 GEADLO CN(Cc1ccnn1C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000471718765 532557424 /nfs/dbraw/zinc/55/74/24/532557424.db2.gz VCEMHWKPUAARTI-UHFFFAOYSA-N 1 2 377.246 2.172 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000249069683 532559675 /nfs/dbraw/zinc/55/96/75/532559675.db2.gz QFBMMGTWTQCHDW-UKRRQHHQSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000249069683 532559679 /nfs/dbraw/zinc/55/96/79/532559679.db2.gz QFBMMGTWTQCHDW-UKRRQHHQSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000249094767 532561170 /nfs/dbraw/zinc/56/11/70/532561170.db2.gz TXUFLSCWHNEMAF-UKRRQHHQSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000249094767 532561173 /nfs/dbraw/zinc/56/11/73/532561173.db2.gz TXUFLSCWHNEMAF-UKRRQHHQSA-N 1 2 376.469 2.398 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000471916908 532561182 /nfs/dbraw/zinc/56/11/82/532561182.db2.gz DIPXABQAASHJOO-NSHDSACASA-N 1 2 382.873 2.498 20 0 GEADLO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375496896 532561255 /nfs/dbraw/zinc/56/12/55/532561255.db2.gz GMRVPECDAQVCCK-GMTAPVOTSA-N 1 2 375.416 2.331 20 0 GEADLO CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375496896 532561262 /nfs/dbraw/zinc/56/12/62/532561262.db2.gz GMRVPECDAQVCCK-GMTAPVOTSA-N 1 2 375.416 2.331 20 0 GEADLO CC(C)OC[C@@H](CO)N(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000433322902 532563728 /nfs/dbraw/zinc/56/37/28/532563728.db2.gz SKHQPGXUDLVICA-CQSZACIVSA-N 1 2 399.289 2.024 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)[C@@H](C)C1 ZINC000528397484 532564419 /nfs/dbraw/zinc/56/44/19/532564419.db2.gz QJLKDUUXIOULDM-NSHDSACASA-N 1 2 382.404 2.309 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)[C@@H](C)C1 ZINC000528397484 532564422 /nfs/dbraw/zinc/56/44/22/532564422.db2.gz QJLKDUUXIOULDM-NSHDSACASA-N 1 2 382.404 2.309 20 0 GEADLO Cc1cc(N2CCN3C(=O)NC[C@@H]3C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631153816 532546045 /nfs/dbraw/zinc/54/60/45/532546045.db2.gz KDBVPEKGDSYDST-CQSZACIVSA-N 1 2 388.269 2.428 20 0 GEADLO COC(=O)c1cncc(N2CC[NH+](Cc3ccc(Br)s3)CC2)n1 ZINC000471254946 532546411 /nfs/dbraw/zinc/54/64/11/532546411.db2.gz OTCOPNZKJFBCTO-UHFFFAOYSA-N 1 2 397.298 2.409 20 0 GEADLO O=C(CC1CS(=O)(=O)C1)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000631200742 532547714 /nfs/dbraw/zinc/54/77/14/532547714.db2.gz IQGUECZNRSTSJJ-QGZVFWFLSA-N 1 2 384.929 2.245 20 0 GEADLO O=C(CC1CS(=O)(=O)C1)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000631200742 532547719 /nfs/dbraw/zinc/54/77/19/532547719.db2.gz IQGUECZNRSTSJJ-QGZVFWFLSA-N 1 2 384.929 2.245 20 0 GEADLO O=C(CCc1nn[nH]n1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000631179959 532547981 /nfs/dbraw/zinc/54/79/81/532547981.db2.gz ZXBINIUHEBPJAK-UHFFFAOYSA-N 1 2 383.283 2.220 20 0 GEADLO COc1ccc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c(Br)c1O ZINC000631208279 532548371 /nfs/dbraw/zinc/54/83/71/532548371.db2.gz TWXPWGBKZBNLGL-CYBMUJFWSA-N 1 2 399.285 2.033 20 0 GEADLO CC(C)[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)Cc1ccco1 ZINC000472757468 532582275 /nfs/dbraw/zinc/58/22/75/532582275.db2.gz VMDRPMZOVSUTOI-UHFFFAOYSA-N 1 2 385.873 2.430 20 0 GEADLO CC(C)[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)Cc1ccco1 ZINC000472757468 532582276 /nfs/dbraw/zinc/58/22/76/532582276.db2.gz VMDRPMZOVSUTOI-UHFFFAOYSA-N 1 2 385.873 2.430 20 0 GEADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000262023692 532582952 /nfs/dbraw/zinc/58/29/52/532582952.db2.gz NJRYYQRYKBWCCD-AWEZNQCLSA-N 1 2 389.308 2.203 20 0 GEADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3C[C@@]3(C)Br)CC2)c1 ZINC000528842797 532584770 /nfs/dbraw/zinc/58/47/70/532584770.db2.gz DZENQSGQBBLTDY-FUHWJXTLSA-N 1 2 397.313 2.392 20 0 GEADLO Nc1[nH+]cnc(NCCCNC(=O)c2ccc(Br)cc2)c1Cl ZINC000434080374 532586866 /nfs/dbraw/zinc/58/68/66/532586866.db2.gz IPRGBOYDYIFONZ-UHFFFAOYSA-N 1 2 384.665 2.707 20 0 GEADLO Nc1nc[nH+]c(NCCCNC(=O)c2ccc(Br)cc2)c1Cl ZINC000434080374 532586871 /nfs/dbraw/zinc/58/68/71/532586871.db2.gz IPRGBOYDYIFONZ-UHFFFAOYSA-N 1 2 384.665 2.707 20 0 GEADLO COC(=O)[C@@H](CNc1nc(C)[nH+]c(C)c1Br)Oc1ccc(F)cc1 ZINC000596180952 532589715 /nfs/dbraw/zinc/58/97/15/532589715.db2.gz XEVZYBXANNEMTC-CYBMUJFWSA-N 1 2 398.232 3.028 20 0 GEADLO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)NCC[N@H+]1CC=CCC1 ZINC000297443528 532590548 /nfs/dbraw/zinc/59/05/48/532590548.db2.gz JGWOMZSIDZYKQL-UHFFFAOYSA-N 1 2 385.917 2.065 20 0 GEADLO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)NCC[N@@H+]1CC=CCC1 ZINC000297443528 532590554 /nfs/dbraw/zinc/59/05/54/532590554.db2.gz JGWOMZSIDZYKQL-UHFFFAOYSA-N 1 2 385.917 2.065 20 0 GEADLO O=C(c1cc(CO)on1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000632222003 532591815 /nfs/dbraw/zinc/59/18/15/532591815.db2.gz VTHRSYFOVOUQLK-UHFFFAOYSA-N 1 2 384.263 2.474 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000433493516 532570578 /nfs/dbraw/zinc/57/05/78/532570578.db2.gz KNQXVSFVKIPODE-UHFFFAOYSA-N 1 2 393.270 3.023 20 0 GEADLO CO[C@H]1CC[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000565700679 532572527 /nfs/dbraw/zinc/57/25/27/532572527.db2.gz JAPJGEWNWFCDFH-NEPJUHHUSA-N 1 2 399.289 2.370 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c(Br)c1 ZINC000595823388 532574573 /nfs/dbraw/zinc/57/45/73/532574573.db2.gz KDVQDPYAPFUQDZ-AWEZNQCLSA-N 1 2 398.301 2.423 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c(Br)c1 ZINC000595823388 532574579 /nfs/dbraw/zinc/57/45/79/532574579.db2.gz KDVQDPYAPFUQDZ-AWEZNQCLSA-N 1 2 398.301 2.423 20 0 GEADLO C[NH+]1CCN(C(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000255938941 532574761 /nfs/dbraw/zinc/57/47/61/532574761.db2.gz PNBRYGCUMFQRAC-UHFFFAOYSA-N 1 2 393.822 2.268 20 0 GEADLO CNC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(Br)cc32)CCO1 ZINC000528628201 532576546 /nfs/dbraw/zinc/57/65/46/532576546.db2.gz JHOWZRWEULOKDA-ZBFHGGJFSA-N 1 2 382.302 2.456 20 0 GEADLO CNC(=O)NC[C@@H]1C[N@H+]([C@H]2CCCc3ccc(Br)cc32)CCO1 ZINC000528628201 532576552 /nfs/dbraw/zinc/57/65/52/532576552.db2.gz JHOWZRWEULOKDA-ZBFHGGJFSA-N 1 2 382.302 2.456 20 0 GEADLO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000261663443 532576586 /nfs/dbraw/zinc/57/65/86/532576586.db2.gz GKNJBCGRNAVALT-STQMWFEESA-N 1 2 379.507 2.358 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)c1ccc(C(F)(F)F)cn1 ZINC000472560445 532577796 /nfs/dbraw/zinc/57/77/96/532577796.db2.gz BSWBTLIYPRWHHN-UHFFFAOYSA-N 1 2 391.440 2.499 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2sccc2C1)c1ccc(C(F)(F)F)cn1 ZINC000472560445 532577799 /nfs/dbraw/zinc/57/77/99/532577799.db2.gz BSWBTLIYPRWHHN-UHFFFAOYSA-N 1 2 391.440 2.499 20 0 GEADLO Cc1cc(Br)cn2cc(CNS(=O)(=O)N3CCC[C@@H]3C)[nH+]c12 ZINC000472583773 532579197 /nfs/dbraw/zinc/57/91/97/532579197.db2.gz BLXOPWFMZHTYAM-NSHDSACASA-N 1 2 387.303 2.224 20 0 GEADLO C[C@]1(CO)C[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@@]1(C)CO ZINC000528752001 532580559 /nfs/dbraw/zinc/58/05/59/532580559.db2.gz MQFIBMJOPIJWPP-PXAQALGRSA-N 1 2 380.337 2.414 20 0 GEADLO C[C@]1(CO)C[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@@]1(C)CO ZINC000528752001 532580562 /nfs/dbraw/zinc/58/05/62/532580562.db2.gz MQFIBMJOPIJWPP-PXAQALGRSA-N 1 2 380.337 2.414 20 0 GEADLO Cc1nc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)no1 ZINC000375765190 532580781 /nfs/dbraw/zinc/58/07/81/532580781.db2.gz PMONHJGPQUZMPG-NSHDSACASA-N 1 2 380.246 2.354 20 0 GEADLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)no1 ZINC000375765190 532580785 /nfs/dbraw/zinc/58/07/85/532580785.db2.gz PMONHJGPQUZMPG-NSHDSACASA-N 1 2 380.246 2.354 20 0 GEADLO C[N@@H+](Cc1nnnn1CC(F)(F)F)C[C@@H](O)c1cccc(Br)c1 ZINC000297988698 532615327 /nfs/dbraw/zinc/61/53/27/532615327.db2.gz AEXFUFFOFBGLNN-LLVKDONJSA-N 1 2 394.195 2.163 20 0 GEADLO C[N@H+](Cc1nnnn1CC(F)(F)F)C[C@@H](O)c1cccc(Br)c1 ZINC000297988698 532615331 /nfs/dbraw/zinc/61/53/31/532615331.db2.gz AEXFUFFOFBGLNN-LLVKDONJSA-N 1 2 394.195 2.163 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000632501942 532616208 /nfs/dbraw/zinc/61/62/08/532616208.db2.gz QRKVRWJWVZZCOA-CVEARBPZSA-N 1 2 388.917 2.126 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632502748 532616557 /nfs/dbraw/zinc/61/65/57/532616557.db2.gz YJAOIURLLZFVOB-CVEARBPZSA-N 1 2 390.908 2.398 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)C[C@@H]2CCCC(F)(F)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000632502604 532616770 /nfs/dbraw/zinc/61/67/70/532616770.db2.gz XISCDHFWLYTUCV-KFWWJZLASA-N 1 2 380.501 2.231 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)cc1Cl ZINC000632502834 532617799 /nfs/dbraw/zinc/61/77/99/532617799.db2.gz YXDABVPYDHUKIR-CVEARBPZSA-N 1 2 388.917 2.126 20 0 GEADLO COc1cc(S(=O)(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)ccc1Cl ZINC000632502304 532617825 /nfs/dbraw/zinc/61/78/25/532617825.db2.gz MHCYTVQFUVNUMR-JKSUJKDBSA-N 1 2 388.917 2.126 20 0 GEADLO CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C)[nH+]cc3C)c(Cl)cc21 ZINC000530154193 532618145 /nfs/dbraw/zinc/61/81/45/532618145.db2.gz QHXDPKAMXYIHCC-UHFFFAOYSA-N 1 2 379.869 2.484 20 0 GEADLO O=S(=O)(C[C@@H]1CCCCC1(F)F)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000566660233 532622246 /nfs/dbraw/zinc/62/22/46/532622246.db2.gz IBEQPQJLIVDXGV-XHSDSOJGSA-N 1 2 380.501 2.375 20 0 GEADLO CSc1ccc([C@@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)[NH+](C)C)cc1 ZINC000655641670 532598237 /nfs/dbraw/zinc/59/82/37/532598237.db2.gz KCDSKPRCYCTLRS-OAHLLOKOSA-N 1 2 387.571 2.134 20 0 GEADLO CCOc1cc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc(Cl)c1O ZINC000297620985 532598451 /nfs/dbraw/zinc/59/84/51/532598451.db2.gz HEAMBELJBVFYGB-ZDUSSCGKSA-N 1 2 376.906 2.348 20 0 GEADLO CCOc1cc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc(Cl)c1O ZINC000297620985 532598459 /nfs/dbraw/zinc/59/84/59/532598459.db2.gz HEAMBELJBVFYGB-ZDUSSCGKSA-N 1 2 376.906 2.348 20 0 GEADLO C[N@H+](CCN1CCOC(C)(C)C1)CC(=O)Nc1ccc(Br)cc1 ZINC000434697031 532600607 /nfs/dbraw/zinc/60/06/07/532600607.db2.gz KRDRAINDTKQHKR-UHFFFAOYSA-N 1 2 384.318 2.430 20 0 GEADLO C[N@@H+](CCN1CCOC(C)(C)C1)CC(=O)Nc1ccc(Br)cc1 ZINC000434697031 532600608 /nfs/dbraw/zinc/60/06/08/532600608.db2.gz KRDRAINDTKQHKR-UHFFFAOYSA-N 1 2 384.318 2.430 20 0 GEADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000566664004 532621610 /nfs/dbraw/zinc/62/16/10/532621610.db2.gz BRVAJMGOXHNHDR-OAHLLOKOSA-N 1 2 387.933 2.239 20 0 GEADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000566664004 532621617 /nfs/dbraw/zinc/62/16/17/532621617.db2.gz BRVAJMGOXHNHDR-OAHLLOKOSA-N 1 2 387.933 2.239 20 0 GEADLO C[C@@H](CNC(=O)c1nc(C2CC2)ncc1Br)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655906186 532602108 /nfs/dbraw/zinc/60/21/08/532602108.db2.gz AMDFXDSLYKUFMS-SDDRHHMPSA-N 1 2 397.317 2.344 20 0 GEADLO C[C@@H](CNC(=O)c1nc(C2CC2)ncc1Br)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655906186 532602112 /nfs/dbraw/zinc/60/21/12/532602112.db2.gz AMDFXDSLYKUFMS-SDDRHHMPSA-N 1 2 397.317 2.344 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000566300733 532603128 /nfs/dbraw/zinc/60/31/28/532603128.db2.gz IQHGYAYKLFJCHJ-ZDUSSCGKSA-N 1 2 386.823 2.123 20 0 GEADLO NC(=O)c1ccc(N2CC[NH+](Cc3ccsc3Br)CC2)nc1 ZINC000529521611 532606788 /nfs/dbraw/zinc/60/67/88/532606788.db2.gz CNWXRXOTHUARBI-UHFFFAOYSA-N 1 2 381.299 2.327 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000474062282 532606918 /nfs/dbraw/zinc/60/69/18/532606918.db2.gz VDIPWNNGRGFJRR-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO Cc1nc(NC(=O)C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)sc1C ZINC000435021361 532607171 /nfs/dbraw/zinc/60/71/71/532607171.db2.gz VYJQHQOXZOPKPP-UHFFFAOYSA-N 1 2 375.376 2.116 20 0 GEADLO O=S(=O)(C1CCC(C(F)(F)F)CC1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000632386428 532608049 /nfs/dbraw/zinc/60/80/49/532608049.db2.gz ZAVLTIQWLAXRAU-SLTAFYQDSA-N 1 2 384.464 2.234 20 0 GEADLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2c(C)nn(COC)c2C)n1 ZINC000656185049 532609506 /nfs/dbraw/zinc/60/95/06/532609506.db2.gz KBHZFXIGAOBYFC-UHFFFAOYSA-N 1 2 387.531 2.203 20 0 GEADLO CC[NH+](CC)Cc1csc(NS(=O)(=O)c2cnc(NC(C)=O)s2)n1 ZINC000656184952 532609706 /nfs/dbraw/zinc/60/97/06/532609706.db2.gz CKNVCINFIBQXLX-UHFFFAOYSA-N 1 2 389.528 2.201 20 0 GEADLO COCC[N@H+](C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C[C@@H](O)C(F)(F)F ZINC000656267076 532610071 /nfs/dbraw/zinc/61/00/71/532610071.db2.gz QDZCQACBXWEKBN-SWLSCSKDSA-N 1 2 383.432 2.065 20 0 GEADLO COCC[N@@H+](C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C[C@@H](O)C(F)(F)F ZINC000656267076 532610074 /nfs/dbraw/zinc/61/00/74/532610074.db2.gz QDZCQACBXWEKBN-SWLSCSKDSA-N 1 2 383.432 2.065 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000566450889 532610037 /nfs/dbraw/zinc/61/00/37/532610037.db2.gz LWCXLUJUDHCLLN-QMTHXVAHSA-N 1 2 379.258 2.036 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000566450889 532610041 /nfs/dbraw/zinc/61/00/41/532610041.db2.gz LWCXLUJUDHCLLN-QMTHXVAHSA-N 1 2 379.258 2.036 20 0 GEADLO CC[C@@H](CSC)N(C)C(=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000297884292 532610383 /nfs/dbraw/zinc/61/03/83/532610383.db2.gz VAAIXEZIVDFTEM-NSHDSACASA-N 1 2 380.436 2.004 20 0 GEADLO C[C@@H](CCS(C)(=O)=O)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000474344156 532612786 /nfs/dbraw/zinc/61/27/86/532612786.db2.gz GWZVGSYZGGFZQB-OLZOCXBDSA-N 1 2 388.559 2.320 20 0 GEADLO C[C@@H](CCS(C)(=O)=O)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000474344156 532612790 /nfs/dbraw/zinc/61/27/90/532612790.db2.gz GWZVGSYZGGFZQB-OLZOCXBDSA-N 1 2 388.559 2.320 20 0 GEADLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000297912296 532613291 /nfs/dbraw/zinc/61/32/91/532613291.db2.gz PSNRIVISINSZGY-LBPRGKRZSA-N 1 2 384.889 2.418 20 0 GEADLO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000297912296 532613298 /nfs/dbraw/zinc/61/32/98/532613298.db2.gz PSNRIVISINSZGY-LBPRGKRZSA-N 1 2 384.889 2.418 20 0 GEADLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccc(Br)cc1 ZINC000284837000 532625153 /nfs/dbraw/zinc/62/51/53/532625153.db2.gz PHCNTSHTZNZTHN-ARFHVFGLSA-N 1 2 383.286 2.249 20 0 GEADLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccc(Br)cc1 ZINC000284837000 532625159 /nfs/dbraw/zinc/62/51/59/532625159.db2.gz PHCNTSHTZNZTHN-ARFHVFGLSA-N 1 2 383.286 2.249 20 0 GEADLO O=C(C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccc(Br)cc1 ZINC000284837006 532625253 /nfs/dbraw/zinc/62/52/53/532625253.db2.gz PHCNTSHTZNZTHN-OAGGEKHMSA-N 1 2 383.286 2.249 20 0 GEADLO O=C(C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccc(Br)cc1 ZINC000284837006 532625258 /nfs/dbraw/zinc/62/52/58/532625258.db2.gz PHCNTSHTZNZTHN-OAGGEKHMSA-N 1 2 383.286 2.249 20 0 GEADLO COc1cc[nH+]cc1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000376716445 532625839 /nfs/dbraw/zinc/62/58/39/532625839.db2.gz TZUKDCVCLQLTOS-UHFFFAOYSA-N 1 2 392.209 2.217 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000376716374 532625933 /nfs/dbraw/zinc/62/59/33/532625933.db2.gz SFMRTIUOUKIBHH-UHFFFAOYSA-N 1 2 382.511 2.354 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000376716374 532625937 /nfs/dbraw/zinc/62/59/37/532625937.db2.gz SFMRTIUOUKIBHH-UHFFFAOYSA-N 1 2 382.511 2.354 20 0 GEADLO CCn1cncc1S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000530717591 532627145 /nfs/dbraw/zinc/62/71/45/532627145.db2.gz OFTNBCNMTSYGDI-HNNXBMFYSA-N 1 2 379.873 2.358 20 0 GEADLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)ccc2n1C ZINC000530722182 532627692 /nfs/dbraw/zinc/62/76/92/532627692.db2.gz DRKLSTPORASTOH-UHFFFAOYSA-N 1 2 379.463 2.086 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000566841669 532628459 /nfs/dbraw/zinc/62/84/59/532628459.db2.gz IAPKWMITKUOOAP-ZDUSSCGKSA-N 1 2 382.873 2.226 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000632604777 532628809 /nfs/dbraw/zinc/62/88/09/532628809.db2.gz WUTHGYWWSOXFSA-UHFFFAOYSA-N 1 2 399.676 2.443 20 0 GEADLO C[C@H](Oc1ccc(I)cc1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597857466 532628942 /nfs/dbraw/zinc/62/89/42/532628942.db2.gz LUTYUWUHLXOCKH-JTQLQIEISA-N 1 2 385.205 2.440 20 0 GEADLO C[C@H](Oc1ccc(I)cc1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597857466 532628946 /nfs/dbraw/zinc/62/89/46/532628946.db2.gz LUTYUWUHLXOCKH-JTQLQIEISA-N 1 2 385.205 2.440 20 0 GEADLO O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)sc1Cl ZINC000566915708 532629150 /nfs/dbraw/zinc/62/91/50/532629150.db2.gz NYTXQFVDHKKDMB-ZCFIWIBFSA-N 1 2 395.678 2.440 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)c1 ZINC000566900660 532629623 /nfs/dbraw/zinc/62/96/23/532629623.db2.gz RMKDIVQMVVACOZ-ZDUSSCGKSA-N 1 2 383.221 2.297 20 0 GEADLO CCOc1cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc(Cl)c1O ZINC000298158692 532629763 /nfs/dbraw/zinc/62/97/63/532629763.db2.gz SHSOUIGIEXIMMS-CYBMUJFWSA-N 1 2 376.906 2.300 20 0 GEADLO CCOc1cc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc(Cl)c1O ZINC000298158692 532629768 /nfs/dbraw/zinc/62/97/68/532629768.db2.gz SHSOUIGIEXIMMS-CYBMUJFWSA-N 1 2 376.906 2.300 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1Cl ZINC000376795181 532630115 /nfs/dbraw/zinc/63/01/15/532630115.db2.gz BLAOFIGFFCIQBH-SECBINFHSA-N 1 2 375.224 2.230 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)N3CC[NH2+]C[C@H]3C(F)F)s2)cs1 ZINC000376796480 532630486 /nfs/dbraw/zinc/63/04/86/532630486.db2.gz CCKSJUNCTLTSOT-JTQLQIEISA-N 1 2 379.479 2.408 20 0 GEADLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)Cc2ccc(Cl)nc2)C[C@@H](C)O1 ZINC000263656561 532630875 /nfs/dbraw/zinc/63/08/75/532630875.db2.gz COLBBFITFVNFIT-CHWSQXEVSA-N 1 2 375.922 2.042 20 0 GEADLO CC(C)(CN1C(=O)N[C@@H](c2ccccc2Br)C1=O)[NH+]1CCOCC1 ZINC000656794216 532633438 /nfs/dbraw/zinc/63/34/38/532633438.db2.gz LZXIWBMZMCXEHI-AWEZNQCLSA-N 1 2 396.285 2.153 20 0 GEADLO C[NH+]1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2cncc(F)c2)CC1 ZINC000598379140 532646271 /nfs/dbraw/zinc/64/62/71/532646271.db2.gz DVRWHHVUUIXNGF-UHFFFAOYSA-N 1 2 384.864 2.427 20 0 GEADLO CC(C)[C@H](CNC(=O)c1ccc(Br)cc1O)[NH+]1CCN(C)CC1 ZINC000436544951 532636537 /nfs/dbraw/zinc/63/65/37/532636537.db2.gz ARUVYHIADBUZOS-HNNXBMFYSA-N 1 2 384.318 2.157 20 0 GEADLO CC(C)[C@H](CNC(=O)c1ccc(Br)cc1O)N1CC[NH+](C)CC1 ZINC000436544951 532636547 /nfs/dbraw/zinc/63/65/47/532636547.db2.gz ARUVYHIADBUZOS-HNNXBMFYSA-N 1 2 384.318 2.157 20 0 GEADLO O=S(=O)(NC1CCN(c2cccc[nH+]2)CC1)c1ncccc1Br ZINC000656878315 532637080 /nfs/dbraw/zinc/63/70/80/532637080.db2.gz VRDUFYYODPLYNE-UHFFFAOYSA-N 1 2 397.298 2.186 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000263746047 532639151 /nfs/dbraw/zinc/63/91/51/532639151.db2.gz WEILGTNEFKSHAS-CQSZACIVSA-N 1 2 394.313 2.218 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000531911720 532639763 /nfs/dbraw/zinc/63/97/63/532639763.db2.gz ZAWPPQCKYMWOHI-CVEARBPZSA-N 1 2 388.917 2.270 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)c2ccc(Br)cn2)CCO1 ZINC000475241711 532641352 /nfs/dbraw/zinc/64/13/52/532641352.db2.gz FKTYPRWKHYWDHO-GXTWGEPZSA-N 1 2 385.306 2.315 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)c2ccc(Br)cn2)CCO1 ZINC000475241711 532641362 /nfs/dbraw/zinc/64/13/62/532641362.db2.gz FKTYPRWKHYWDHO-GXTWGEPZSA-N 1 2 385.306 2.315 20 0 GEADLO O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000531911911 532641559 /nfs/dbraw/zinc/64/15/59/532641559.db2.gz KQOARERUEASPIO-CABCVRRESA-N 1 2 378.416 2.026 20 0 GEADLO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000298320856 532641721 /nfs/dbraw/zinc/64/17/21/532641721.db2.gz PIXXGHGCWCSQPL-UHFFFAOYSA-N 1 2 393.285 2.190 20 0 GEADLO O=C(CCn1cc[nH+]c1)NCCc1ccc(I)s1 ZINC000263790680 532642058 /nfs/dbraw/zinc/64/20/58/532642058.db2.gz IIWHWLXPWQRKFC-UHFFFAOYSA-N 1 2 375.235 2.298 20 0 GEADLO CC(C)(CNS(=O)(=O)c1ccc(Br)cc1F)n1cc[nH+]c1 ZINC000632732615 532642180 /nfs/dbraw/zinc/64/21/80/532642180.db2.gz CFFNGJAJKOFWHU-UHFFFAOYSA-N 1 2 376.251 2.498 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000298355789 532644389 /nfs/dbraw/zinc/64/43/89/532644389.db2.gz SZPGQWPPQRIMSA-DOMZBBRYSA-N 1 2 381.274 2.409 20 0 GEADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CC3(Cl)Cl)CC2)C1 ZINC000377126061 532644578 /nfs/dbraw/zinc/64/45/78/532644578.db2.gz FJPDBYJABCRVQO-QWHCGFSZSA-N 1 2 392.327 2.334 20 0 GEADLO C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436866301 532645685 /nfs/dbraw/zinc/64/56/85/532645685.db2.gz XXQCACFXCNCVBH-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436866301 532645689 /nfs/dbraw/zinc/64/56/89/532645689.db2.gz XXQCACFXCNCVBH-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000532970903 532659856 /nfs/dbraw/zinc/65/98/56/532659856.db2.gz AHXYIEMHUNQIJR-NWDGAFQWSA-N 1 2 378.416 2.399 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000532970903 532659860 /nfs/dbraw/zinc/65/98/60/532659860.db2.gz AHXYIEMHUNQIJR-NWDGAFQWSA-N 1 2 378.416 2.399 20 0 GEADLO NC(=O)[C@@H]1C[N@@H+]([C@H](Cc2ccccn2)c2ccc(Br)cc2)CCO1 ZINC000377629753 532665015 /nfs/dbraw/zinc/66/50/15/532665015.db2.gz SPCVYKCUCHSWSZ-SJORKVTESA-N 1 2 390.281 2.314 20 0 GEADLO NC(=O)[C@@H]1C[N@H+]([C@H](Cc2ccccn2)c2ccc(Br)cc2)CCO1 ZINC000377629753 532665023 /nfs/dbraw/zinc/66/50/23/532665023.db2.gz SPCVYKCUCHSWSZ-SJORKVTESA-N 1 2 390.281 2.314 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c(F)c1 ZINC000481051043 532665604 /nfs/dbraw/zinc/66/56/04/532665604.db2.gz BOPZHJUJTMFFLD-UHFFFAOYSA-N 1 2 384.498 2.445 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000567861743 532666585 /nfs/dbraw/zinc/66/65/85/532666585.db2.gz UPTQIMIIQRFLQF-GFCCVEGCSA-N 1 2 387.221 2.049 20 0 GEADLO C[NH+](C)[C@H](C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(Cl)c1 ZINC000481163814 532666964 /nfs/dbraw/zinc/66/69/64/532666964.db2.gz JKLQXHVQXWZQJI-OLZOCXBDSA-N 1 2 377.794 2.222 20 0 GEADLO CCOc1ccc(C[NH+]2CCN(C(=O)CSc3nncs3)CC2)cc1 ZINC000298692963 532668413 /nfs/dbraw/zinc/66/84/13/532668413.db2.gz OACCIVBZRJHLBO-UHFFFAOYSA-N 1 2 378.523 2.373 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)Cc1cc(F)ccc1Cl)[NH+]1CCN(C)CC1 ZINC000656918117 532646882 /nfs/dbraw/zinc/64/68/82/532646882.db2.gz MOSHUVLSYDQSJJ-QGZVFWFLSA-N 1 2 391.940 2.171 20 0 GEADLO Cc1ccc(I)cc1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000532165284 532647316 /nfs/dbraw/zinc/64/73/16/532647316.db2.gz PWLRXPDYOSYFDW-LBPRGKRZSA-N 1 2 388.249 2.050 20 0 GEADLO Cc1ccc(I)cc1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000532165284 532647321 /nfs/dbraw/zinc/64/73/21/532647321.db2.gz PWLRXPDYOSYFDW-LBPRGKRZSA-N 1 2 388.249 2.050 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Cl)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000656921181 532647702 /nfs/dbraw/zinc/64/77/02/532647702.db2.gz PSKDUQQFFOZMFT-MRXNPFEDSA-N 1 2 390.908 2.496 20 0 GEADLO Cc1cc(N2C[C@H](C(=O)NCc3[nH+]ccn3C)CC2=O)ccc1Br ZINC000264285980 532668696 /nfs/dbraw/zinc/66/86/96/532668696.db2.gz JGAOUBXPZWNMLX-GFCCVEGCSA-N 1 2 391.269 2.160 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(F)c(Cl)c3)C[C@@H]21 ZINC000285101891 532648276 /nfs/dbraw/zinc/64/82/76/532648276.db2.gz HGPXSVWUYVRIHD-QWHCGFSZSA-N 1 2 390.242 2.003 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(F)c(Cl)c3)C[C@@H]21 ZINC000285101891 532648283 /nfs/dbraw/zinc/64/82/83/532648283.db2.gz HGPXSVWUYVRIHD-QWHCGFSZSA-N 1 2 390.242 2.003 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000377280645 532648713 /nfs/dbraw/zinc/64/87/13/532648713.db2.gz MNNJILIJFWXNML-NWDGAFQWSA-N 1 2 386.279 2.254 20 0 GEADLO C[C@H](CCC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000437093598 532649042 /nfs/dbraw/zinc/64/90/42/532649042.db2.gz UVPLVKMNDYBOTD-SECBINFHSA-N 1 2 385.374 2.168 20 0 GEADLO C[NH+](C)Cc1nc(C(C)(C)NS(=O)(=O)c2cccc(Cl)c2F)no1 ZINC000567298903 532649146 /nfs/dbraw/zinc/64/91/46/532649146.db2.gz WPRLKLPZLPAXES-UHFFFAOYSA-N 1 2 376.841 2.137 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000285137784 532649372 /nfs/dbraw/zinc/64/93/72/532649372.db2.gz NTTOFBWNOIYUJB-UHFFFAOYSA-N 1 2 381.270 2.337 20 0 GEADLO C[C@H](NC(=O)CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F)c1cccs1 ZINC000437247851 532653028 /nfs/dbraw/zinc/65/30/28/532653028.db2.gz QHVNFIUWZNYXCO-JTQLQIEISA-N 1 2 395.428 2.299 20 0 GEADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[S@](=O)C1 ZINC000532400603 532653350 /nfs/dbraw/zinc/65/33/50/532653350.db2.gz LCKFXASSLYJZNA-VNFRKBOCSA-N 1 2 387.908 2.436 20 0 GEADLO CC[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437249552 532654162 /nfs/dbraw/zinc/65/41/62/532654162.db2.gz IMQGDPSAGACWHP-GFCCVEGCSA-N 1 2 381.420 2.151 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000298505865 532654797 /nfs/dbraw/zinc/65/47/97/532654797.db2.gz VSLXKOCYPCZPBZ-HNNXBMFYSA-N 1 2 385.302 2.052 20 0 GEADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)CCn1cc(Br)cn1)CCC2 ZINC000377377675 532655097 /nfs/dbraw/zinc/65/50/97/532655097.db2.gz HZSAXZYHXQABBA-CYBMUJFWSA-N 1 2 395.305 2.370 20 0 GEADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)CCn1cc(Br)cn1 ZINC000377398289 532656357 /nfs/dbraw/zinc/65/63/57/532656357.db2.gz BGQTTYWABJDWFB-UKRRQHHQSA-N 1 2 392.301 2.272 20 0 GEADLO Cc1ccn2cc(CNC(=O)NCc3c(Br)cnn3C)[nH+]c2c1 ZINC000633029752 532658684 /nfs/dbraw/zinc/65/86/84/532658684.db2.gz WRVNQCWLMKDHBV-UHFFFAOYSA-N 1 2 377.246 2.138 20 0 GEADLO CN(Cc1cc2c(c[nH+]1)OCCO2)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000638183215 532684205 /nfs/dbraw/zinc/68/42/05/532684205.db2.gz USKQOLODJLNVEE-AWEZNQCLSA-N 1 2 380.853 2.467 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000298950729 532686511 /nfs/dbraw/zinc/68/65/11/532686511.db2.gz CTOOJHJJLUNQSE-IUODEOHRSA-N 1 2 391.269 2.203 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000264304341 532670600 /nfs/dbraw/zinc/67/06/00/532670600.db2.gz ZOXNWBIMOIJJEC-SWLSCSKDSA-N 1 2 378.885 2.257 20 0 GEADLO CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCn1cc[nH+]c1 ZINC000264298033 532670747 /nfs/dbraw/zinc/67/07/47/532670747.db2.gz RECAEVBJBYSUFT-UHFFFAOYSA-N 1 2 376.360 2.302 20 0 GEADLO CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCc1[nH+]ccn1C ZINC000485558765 532686936 /nfs/dbraw/zinc/68/69/36/532686936.db2.gz CSJKGSRPNSNZJP-OAHLLOKOSA-N 1 2 393.285 2.253 20 0 GEADLO COc1cc(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)sn1 ZINC000660030579 532672283 /nfs/dbraw/zinc/67/22/83/532672283.db2.gz IADBCFFREDHAMY-UHFFFAOYSA-N 1 2 385.486 2.234 20 0 GEADLO O=S(=O)(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccc(Cl)cc1F ZINC000660033975 532672397 /nfs/dbraw/zinc/67/23/97/532672397.db2.gz DURWUNGKCPJZAG-HZPDHXFCSA-N 1 2 388.892 2.401 20 0 GEADLO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000660027806 532672534 /nfs/dbraw/zinc/67/25/34/532672534.db2.gz PUSPFTZEHJTNQK-VIFPVBQESA-N 1 2 383.258 2.490 20 0 GEADLO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000660027806 532672538 /nfs/dbraw/zinc/67/25/38/532672538.db2.gz PUSPFTZEHJTNQK-VIFPVBQESA-N 1 2 383.258 2.490 20 0 GEADLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ncc(Br)s2)CC1 ZINC000635397279 532673406 /nfs/dbraw/zinc/67/34/06/532673406.db2.gz HAVJPOBZELWFTG-UHFFFAOYSA-N 1 2 384.303 2.490 20 0 GEADLO NS(=O)(=O)C1CC[NH+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000534876971 532673735 /nfs/dbraw/zinc/67/37/35/532673735.db2.gz HHSAIUFEEBQJIL-UHFFFAOYSA-N 1 2 391.280 2.296 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000285362653 532675014 /nfs/dbraw/zinc/67/50/14/532675014.db2.gz FIJACURHNPLFIQ-UHFFFAOYSA-N 1 2 379.295 2.349 20 0 GEADLO O=C(Cn1cc(Br)cn1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000298797445 532675554 /nfs/dbraw/zinc/67/55/54/532675554.db2.gz HQLYJLKZCWZLKF-UHFFFAOYSA-N 1 2 378.274 2.347 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000264462483 532675552 /nfs/dbraw/zinc/67/55/52/532675552.db2.gz RVROXIZKAQIUHS-UHFFFAOYSA-N 1 2 393.285 2.039 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378004289 532675972 /nfs/dbraw/zinc/67/59/72/532675972.db2.gz QKDHRADZNPIFGE-LLVKDONJSA-N 1 2 377.242 2.093 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378004289 532675976 /nfs/dbraw/zinc/67/59/76/532675976.db2.gz QKDHRADZNPIFGE-LLVKDONJSA-N 1 2 377.242 2.093 20 0 GEADLO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378006887 532676367 /nfs/dbraw/zinc/67/63/67/532676367.db2.gz VEXBPRWDMCLGFM-ZETCQYMHSA-N 1 2 399.195 2.063 20 0 GEADLO O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378006887 532676371 /nfs/dbraw/zinc/67/63/71/532676371.db2.gz VEXBPRWDMCLGFM-ZETCQYMHSA-N 1 2 399.195 2.063 20 0 GEADLO Cc1cc(Br)c(CNC(=O)NCC[N@H+]2CCOC[C@H]2C)s1 ZINC000660856820 532677177 /nfs/dbraw/zinc/67/71/77/532677177.db2.gz XGUBGWSYZYWUDU-SNVBAGLBSA-N 1 2 376.320 2.339 20 0 GEADLO Cc1cc(Br)c(CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)s1 ZINC000660856820 532677181 /nfs/dbraw/zinc/67/71/81/532677181.db2.gz XGUBGWSYZYWUDU-SNVBAGLBSA-N 1 2 376.320 2.339 20 0 GEADLO Brc1cc(Cc2noc(Cn3cc[nH+]c3)n2)cc2c1OCCO2 ZINC000568460077 532677242 /nfs/dbraw/zinc/67/72/42/532677242.db2.gz XTGHRQZUTNOZHU-UHFFFAOYSA-N 1 2 377.198 2.439 20 0 GEADLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000285394729 532677310 /nfs/dbraw/zinc/67/73/10/532677310.db2.gz AMDVXSLOWZPZFF-UHFFFAOYSA-N 1 2 389.901 2.161 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000438959874 532680046 /nfs/dbraw/zinc/68/00/46/532680046.db2.gz AUNACQQMDOQBMS-MGPQQGTHSA-N 1 2 379.258 2.464 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000438942890 532680288 /nfs/dbraw/zinc/68/02/88/532680288.db2.gz SMWOHHOVZVCQEB-ZDUSSCGKSA-N 1 2 380.853 2.432 20 0 GEADLO C[C@@H]1SCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@H]1C ZINC000638094247 532680430 /nfs/dbraw/zinc/68/04/30/532680430.db2.gz GTNOUBIWWAPOSY-UWVGGRQHSA-N 1 2 379.345 2.422 20 0 GEADLO C[C@@H]1SCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@H]1C ZINC000638094247 532680436 /nfs/dbraw/zinc/68/04/36/532680436.db2.gz GTNOUBIWWAPOSY-UWVGGRQHSA-N 1 2 379.345 2.422 20 0 GEADLO CC1(C)C[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCS1 ZINC000638093932 532680491 /nfs/dbraw/zinc/68/04/91/532680491.db2.gz ODOCADXBYVSJLF-UHFFFAOYSA-N 1 2 379.345 2.424 20 0 GEADLO CC1(C)C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCS1 ZINC000638093932 532680496 /nfs/dbraw/zinc/68/04/96/532680496.db2.gz ODOCADXBYVSJLF-UHFFFAOYSA-N 1 2 379.345 2.424 20 0 GEADLO O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)C1(c2cccc(Br)c2)CC1 ZINC000378115935 532680744 /nfs/dbraw/zinc/68/07/44/532680744.db2.gz NGQYXJKJEIKPJU-MRXNPFEDSA-N 1 2 379.298 2.414 20 0 GEADLO CS(=O)(=O)CCCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000264892873 532681066 /nfs/dbraw/zinc/68/10/66/532681066.db2.gz SUZLRGSSJBKEGU-MRXNPFEDSA-N 1 2 387.933 2.211 20 0 GEADLO CCOCC[NH+]1CCN(S(=O)(=O)N(CCC(C)C)CCC(C)C)CC1 ZINC000600766003 532681251 /nfs/dbraw/zinc/68/12/51/532681251.db2.gz SORKYOYGJYEBEM-UHFFFAOYSA-N 1 2 377.595 2.280 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1Cl ZINC000638130490 532682139 /nfs/dbraw/zinc/68/21/39/532682139.db2.gz FSTMHKAGCPENLO-ZDUSSCGKSA-N 1 2 386.823 2.123 20 0 GEADLO CC[C@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCN1CC(F)F ZINC000638134182 532682418 /nfs/dbraw/zinc/68/24/18/532682418.db2.gz UUIZCMVBQLPYEK-LBPRGKRZSA-N 1 2 381.876 2.149 20 0 GEADLO CC[C@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)CCN1CC(F)F ZINC000638134182 532682423 /nfs/dbraw/zinc/68/24/23/532682423.db2.gz UUIZCMVBQLPYEK-LBPRGKRZSA-N 1 2 381.876 2.149 20 0 GEADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCn1cc(Br)cn1 ZINC000568611246 532682504 /nfs/dbraw/zinc/68/25/04/532682504.db2.gz JEQPXWBNACMITL-UHFFFAOYSA-N 1 2 398.211 2.398 20 0 GEADLO CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000600797398 532682668 /nfs/dbraw/zinc/68/26/68/532682668.db2.gz VCPCLZDCYNTQOO-GXFFZTMASA-N 1 2 384.263 2.083 20 0 GEADLO CNC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000600797398 532682677 /nfs/dbraw/zinc/68/26/77/532682677.db2.gz VCPCLZDCYNTQOO-GXFFZTMASA-N 1 2 384.263 2.083 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285564972 532692046 /nfs/dbraw/zinc/69/20/46/532692046.db2.gz VTWSURFHCSGIGW-GOEBONIOSA-N 1 2 398.301 2.072 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285564972 532692050 /nfs/dbraw/zinc/69/20/50/532692050.db2.gz VTWSURFHCSGIGW-GOEBONIOSA-N 1 2 398.301 2.072 20 0 GEADLO O=C(C[N@@H+]1CC2CCC1CC2)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000378381304 532692226 /nfs/dbraw/zinc/69/22/26/532692226.db2.gz KLDBZFOPNMSRMO-UYSNPLJNSA-N 1 2 382.551 2.138 20 0 GEADLO O=C(C[N@H+]1CC2CCC1CC2)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000378381304 532692230 /nfs/dbraw/zinc/69/22/30/532692230.db2.gz KLDBZFOPNMSRMO-UYSNPLJNSA-N 1 2 382.551 2.138 20 0 GEADLO NC(=O)C1(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CCC1 ZINC000536567021 532693192 /nfs/dbraw/zinc/69/31/92/532693192.db2.gz BSFAQNNEANTTQA-UHFFFAOYSA-N 1 2 384.307 2.336 20 0 GEADLO Cc1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c(C)c[nH+]1 ZINC000536575044 532693553 /nfs/dbraw/zinc/69/35/53/532693553.db2.gz KCFQPMWDKRTVRI-UHFFFAOYSA-N 1 2 379.507 2.148 20 0 GEADLO O=C1NC(=O)[C@@H]2C[N@H+](Cc3csc(COc4ccc(Cl)cc4)n3)C[C@H]12 ZINC000569306969 532695013 /nfs/dbraw/zinc/69/50/13/532695013.db2.gz JQZZFYGXLCYVEO-OKILXGFUSA-N 1 2 377.853 2.080 20 0 GEADLO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3csc(COc4ccc(Cl)cc4)n3)C[C@H]12 ZINC000569306969 532695020 /nfs/dbraw/zinc/69/50/20/532695020.db2.gz JQZZFYGXLCYVEO-OKILXGFUSA-N 1 2 377.853 2.080 20 0 GEADLO O=C(Nc1nnc([C@@H]2CCCO2)s1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000640738886 532696074 /nfs/dbraw/zinc/69/60/74/532696074.db2.gz FDOGSMNRPBTJRB-ZDUSSCGKSA-N 1 2 379.511 2.801 20 0 GEADLO O=C(NCc1ccc(Br)c(F)c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603597532 532697103 /nfs/dbraw/zinc/69/71/03/532697103.db2.gz AMAWHBBIUSTIBJ-UHFFFAOYSA-N 1 2 396.264 2.339 20 0 GEADLO CCN1CC[NH+](CCCCNC(=O)c2cccc(Br)c2O)CC1 ZINC000536688280 532698374 /nfs/dbraw/zinc/69/83/74/532698374.db2.gz PPEZGAKSJGFZGR-UHFFFAOYSA-N 1 2 384.318 2.302 20 0 GEADLO CC[NH+]1CCN(CCCCNC(=O)c2cccc(Br)c2O)CC1 ZINC000536688280 532698381 /nfs/dbraw/zinc/69/83/81/532698381.db2.gz PPEZGAKSJGFZGR-UHFFFAOYSA-N 1 2 384.318 2.302 20 0 GEADLO CN(CC(=O)Nc1ccc2[nH+]ccn2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000603785706 532699060 /nfs/dbraw/zinc/69/90/60/532699060.db2.gz WUHVZIWKGHKNGT-UHFFFAOYSA-N 1 2 378.841 2.247 20 0 GEADLO CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000536962810 532700748 /nfs/dbraw/zinc/70/07/48/532700748.db2.gz FHKMRBWGQJFONG-JKSUJKDBSA-N 1 2 387.933 2.161 20 0 GEADLO COc1ccc(Br)cc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000382657100 532701624 /nfs/dbraw/zinc/70/16/24/532701624.db2.gz SDHPQADTVSGPNM-AWEZNQCLSA-N 1 2 383.286 2.395 20 0 GEADLO COc1ccc(Br)c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000382549255 532702418 /nfs/dbraw/zinc/70/24/18/532702418.db2.gz FLFRPIFCADVRSX-ZDUSSCGKSA-N 1 2 383.286 2.395 20 0 GEADLO NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1Cl ZINC000639105020 532688266 /nfs/dbraw/zinc/68/82/66/532688266.db2.gz HONUVVRHEDRCSB-GXFFZTMASA-N 1 2 386.823 2.123 20 0 GEADLO NS(=O)(=O)c1cc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1Cl ZINC000639105020 532688271 /nfs/dbraw/zinc/68/82/71/532688271.db2.gz HONUVVRHEDRCSB-GXFFZTMASA-N 1 2 386.823 2.123 20 0 GEADLO Cc1cc(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c(C)s1 ZINC000439276425 532688429 /nfs/dbraw/zinc/68/84/29/532688429.db2.gz RWSUTUTXZQMOQY-UHFFFAOYSA-N 1 2 385.477 2.316 20 0 GEADLO CC[N@H+](Cc1ccccc1Br)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000439330438 532690026 /nfs/dbraw/zinc/69/00/26/532690026.db2.gz QMFHATUSAWVDOG-DZGCQCFKSA-N 1 2 396.329 2.383 20 0 GEADLO CC[N@@H+](Cc1ccccc1Br)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000439330438 532690030 /nfs/dbraw/zinc/69/00/30/532690030.db2.gz QMFHATUSAWVDOG-DZGCQCFKSA-N 1 2 396.329 2.383 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c(C)c1C ZINC000285750634 532703784 /nfs/dbraw/zinc/70/37/84/532703784.db2.gz WOFHKTHDULTACV-HNNXBMFYSA-N 1 2 387.571 2.215 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c(C)c1C ZINC000285750634 532703787 /nfs/dbraw/zinc/70/37/87/532703787.db2.gz WOFHKTHDULTACV-HNNXBMFYSA-N 1 2 387.571 2.215 20 0 GEADLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1Cl ZINC000440067555 532705134 /nfs/dbraw/zinc/70/51/34/532705134.db2.gz FSJQTZLUDBLSRE-QWRGUYRKSA-N 1 2 381.325 2.377 20 0 GEADLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1Cl ZINC000440067555 532705140 /nfs/dbraw/zinc/70/51/40/532705140.db2.gz FSJQTZLUDBLSRE-QWRGUYRKSA-N 1 2 381.325 2.377 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285765590 532705147 /nfs/dbraw/zinc/70/51/47/532705147.db2.gz XOPNXVSQZHUPEG-ZIAGYGMSSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285765590 532705152 /nfs/dbraw/zinc/70/51/52/532705152.db2.gz XOPNXVSQZHUPEG-ZIAGYGMSSA-N 1 2 387.933 2.331 20 0 GEADLO O=C(NC[C@@H](O)C(F)F)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000489583796 532709949 /nfs/dbraw/zinc/70/99/49/532709949.db2.gz JICLRPDVLXRQMF-TZMCWYRMSA-N 1 2 379.810 2.369 20 0 GEADLO O=C(NC[C@@H](O)C(F)F)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000489583796 532709952 /nfs/dbraw/zinc/70/99/52/532709952.db2.gz JICLRPDVLXRQMF-TZMCWYRMSA-N 1 2 379.810 2.369 20 0 GEADLO C[C@@H]1[C@H]([NH2+]Cc2c(Br)cncc2Br)CCS1(=O)=O ZINC000394516203 532710327 /nfs/dbraw/zinc/71/03/27/532710327.db2.gz DRZQBXKHCLLKQZ-RDDDGLTNSA-N 1 2 398.120 2.272 20 0 GEADLO Cc1cnc([C@@H](C)NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000573758403 532711565 /nfs/dbraw/zinc/71/15/65/532711565.db2.gz BAJRPJBDOYSGBM-CYBMUJFWSA-N 1 2 378.523 2.035 20 0 GEADLO COc1cccc([C@@H]2[C@@H](NS(=O)(=O)c3cscn3)CC[N@@H+]2C2CC2)c1 ZINC000575056903 532716748 /nfs/dbraw/zinc/71/67/48/532716748.db2.gz ZKJOOGNAYVFFNO-DOTOQJQBSA-N 1 2 379.507 2.408 20 0 GEADLO COc1cccc([C@@H]2[C@@H](NS(=O)(=O)c3cscn3)CC[N@H+]2C2CC2)c1 ZINC000575056903 532716752 /nfs/dbraw/zinc/71/67/52/532716752.db2.gz ZKJOOGNAYVFFNO-DOTOQJQBSA-N 1 2 379.507 2.408 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)Nc2nc(C)c(C)s2)C1 ZINC000646112959 532722436 /nfs/dbraw/zinc/72/24/36/532722436.db2.gz WHGOJLHKZJYOAP-YMTOWFKASA-N 1 2 378.420 2.087 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)Nc2nc(C)c(C)s2)C1 ZINC000646112959 532722439 /nfs/dbraw/zinc/72/24/39/532722439.db2.gz WHGOJLHKZJYOAP-YMTOWFKASA-N 1 2 378.420 2.087 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)C1 ZINC000646112958 532722856 /nfs/dbraw/zinc/72/28/56/532722856.db2.gz WHGOJLHKZJYOAP-XPTSAGLGSA-N 1 2 378.420 2.087 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)C1 ZINC000646112958 532722862 /nfs/dbraw/zinc/72/28/62/532722862.db2.gz WHGOJLHKZJYOAP-XPTSAGLGSA-N 1 2 378.420 2.087 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)Nc2nc(C)c(C)s2)C1 ZINC000646112957 532723046 /nfs/dbraw/zinc/72/30/46/532723046.db2.gz WHGOJLHKZJYOAP-OTYXRUKQSA-N 1 2 378.420 2.087 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)Nc2nc(C)c(C)s2)C1 ZINC000646112957 532723050 /nfs/dbraw/zinc/72/30/50/532723050.db2.gz WHGOJLHKZJYOAP-OTYXRUKQSA-N 1 2 378.420 2.087 20 0 GEADLO O=S(=O)(c1nc2ccccc2s1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000576155124 532725446 /nfs/dbraw/zinc/72/54/46/532725446.db2.gz ZRZVXAZDZPMWIG-UHFFFAOYSA-N 1 2 381.523 2.029 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000539233855 532726186 /nfs/dbraw/zinc/72/61/86/532726186.db2.gz TZXRDETYNVNFPT-ZDUSSCGKSA-N 1 2 388.555 2.304 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000539233855 532726188 /nfs/dbraw/zinc/72/61/88/532726188.db2.gz TZXRDETYNVNFPT-ZDUSSCGKSA-N 1 2 388.555 2.304 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000286079345 532727149 /nfs/dbraw/zinc/72/71/49/532727149.db2.gz AEXVONUYLNWIAL-DGCLKSJQSA-N 1 2 393.285 2.261 20 0 GEADLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000441976008 532727885 /nfs/dbraw/zinc/72/78/85/532727885.db2.gz BIZRURAJANXNGI-UHFFFAOYSA-N 1 2 384.841 2.363 20 0 GEADLO COCC1(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCC1 ZINC000576204174 532727938 /nfs/dbraw/zinc/72/79/38/532727938.db2.gz HYQKMBACRDRKIO-UHFFFAOYSA-N 1 2 384.274 2.436 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266874641 532728503 /nfs/dbraw/zinc/72/85/03/532728503.db2.gz SAQUZOCQKIXBAA-NSHDSACASA-N 1 2 387.311 2.202 20 0 GEADLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Br)nc3)c[nH+]2)CCO1 ZINC000266880489 532728989 /nfs/dbraw/zinc/72/89/89/532728989.db2.gz OCWHLCDVXJHZIZ-LBPRGKRZSA-N 1 2 391.269 2.394 20 0 GEADLO C[C@@H]1CCC[C@H]1CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000499957270 532729264 /nfs/dbraw/zinc/72/92/64/532729264.db2.gz XCBYNBXPUHYBDK-NEPJUHHUSA-N 1 2 393.285 2.265 20 0 GEADLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000577055737 532730360 /nfs/dbraw/zinc/73/03/60/532730360.db2.gz ACYRTIIAIFCSJC-ZDUSSCGKSA-N 1 2 385.917 2.330 20 0 GEADLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000577055737 532730364 /nfs/dbraw/zinc/73/03/64/532730364.db2.gz ACYRTIIAIFCSJC-ZDUSSCGKSA-N 1 2 385.917 2.330 20 0 GEADLO CCn1cnc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000673818812 532731304 /nfs/dbraw/zinc/73/13/04/532731304.db2.gz OKJKNQHESNHNBY-UHFFFAOYSA-N 1 2 382.917 2.453 20 0 GEADLO CCn1cnc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000673818812 532731309 /nfs/dbraw/zinc/73/13/09/532731309.db2.gz OKJKNQHESNHNBY-UHFFFAOYSA-N 1 2 382.917 2.453 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[NH+]1CC(C)C1 ZINC000577073520 532732072 /nfs/dbraw/zinc/73/20/72/532732072.db2.gz OWEQIGOFZIRNKP-ZDUSSCGKSA-N 1 2 385.917 2.403 20 0 GEADLO C[C@@H](CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)Cn1cc[nH+]c1 ZINC000673841832 532732197 /nfs/dbraw/zinc/73/21/97/532732197.db2.gz IUYYUGXNBYUXSO-ZDUSSCGKSA-N 1 2 381.885 2.295 20 0 GEADLO Cc1cc[nH+]cc1N1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000500685400 532732472 /nfs/dbraw/zinc/73/24/72/532732472.db2.gz UKHCUVNQUVQJLF-UHFFFAOYSA-N 1 2 391.269 2.144 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCSC[C@H](C)C2)CC1 ZINC000410956956 532744376 /nfs/dbraw/zinc/74/43/76/532744376.db2.gz MKZJURSYSMTPRG-HUUCEWRRSA-N 1 2 381.567 2.165 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000286394584 532744400 /nfs/dbraw/zinc/74/44/00/532744400.db2.gz DDGLBSQHUXFRPN-UHFFFAOYSA-N 1 2 383.279 2.397 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2oc3ccc(Cl)cc3c2C)CC1 ZINC000443338416 532745434 /nfs/dbraw/zinc/74/54/34/532745434.db2.gz ZYRIDUBMWGXAAD-AWEZNQCLSA-N 1 2 386.901 2.472 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC000443324884 532746140 /nfs/dbraw/zinc/74/61/40/532746140.db2.gz YWNVAOOXYGFKNF-LBPRGKRZSA-N 1 2 381.325 2.379 20 0 GEADLO CS(=O)(=O)c1nnc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)s1 ZINC000286212994 532733918 /nfs/dbraw/zinc/73/39/18/532733918.db2.gz QOCUXKUGFMSVRS-OAHLLOKOSA-N 1 2 387.914 2.086 20 0 GEADLO Cc1nc(S(=O)(=O)NCCNc2cccc(C)[nH+]2)sc1Br ZINC000540043453 532734805 /nfs/dbraw/zinc/73/48/05/532734805.db2.gz YIEGIVADUFJTFJ-UHFFFAOYSA-N 1 2 391.316 2.308 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cn1C ZINC000500775498 532735096 /nfs/dbraw/zinc/73/50/96/532735096.db2.gz AWXSBNUGAGCKCO-UHFFFAOYSA-N 1 2 385.873 2.328 20 0 GEADLO Cn1nc2c(cc1=O)C[N@@H+](Cc1nc3cc(Br)ccc3o1)CC2 ZINC000286218122 532735312 /nfs/dbraw/zinc/73/53/12/532735312.db2.gz BKKACQCWGHGSDN-UHFFFAOYSA-N 1 2 375.226 2.242 20 0 GEADLO Cn1nc2c(cc1=O)C[N@H+](Cc1nc3cc(Br)ccc3o1)CC2 ZINC000286218122 532735313 /nfs/dbraw/zinc/73/53/13/532735313.db2.gz BKKACQCWGHGSDN-UHFFFAOYSA-N 1 2 375.226 2.242 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cc(F)c(C)cc2F)CC[N@@H+]1CCOC ZINC000501183717 532737666 /nfs/dbraw/zinc/73/76/66/532737666.db2.gz DXXQSRVZHSFFDE-AWEZNQCLSA-N 1 2 376.469 2.395 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cc(F)c(C)cc2F)CC[N@H+]1CCOC ZINC000501183717 532737671 /nfs/dbraw/zinc/73/76/71/532737671.db2.gz DXXQSRVZHSFFDE-AWEZNQCLSA-N 1 2 376.469 2.395 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCOCC1 ZINC000501148315 532738069 /nfs/dbraw/zinc/73/80/69/532738069.db2.gz GSGKTPBCFNPTKM-OAHLLOKOSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCOCC1 ZINC000501148315 532738074 /nfs/dbraw/zinc/73/80/74/532738074.db2.gz GSGKTPBCFNPTKM-OAHLLOKOSA-N 1 2 376.881 2.106 20 0 GEADLO CC(C)n1nccc1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000410389501 532738067 /nfs/dbraw/zinc/73/80/67/532738067.db2.gz BVRIZZDPEOCYCW-UHFFFAOYSA-N 1 2 382.452 2.252 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000501199327 532739787 /nfs/dbraw/zinc/73/97/87/532739787.db2.gz VFUDKKLDQJEDAL-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000501199327 532739791 /nfs/dbraw/zinc/73/97/91/532739791.db2.gz VFUDKKLDQJEDAL-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO C[C@@H](OCC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)c1nccn1C ZINC000579321447 532740455 /nfs/dbraw/zinc/74/04/55/532740455.db2.gz NCVWNJVOBNAHFU-SNVBAGLBSA-N 1 2 382.262 2.360 20 0 GEADLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ncc(Br)cn3)CC2)C1 ZINC000301086334 532740661 /nfs/dbraw/zinc/74/06/61/532740661.db2.gz LTJAMFOXERMDHB-HIFRSBDPSA-N 1 2 396.333 2.056 20 0 GEADLO O=C(CCn1cc(Br)cn1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000614558848 532741397 /nfs/dbraw/zinc/74/13/97/532741397.db2.gz GZWKJBREUJKHRL-UHFFFAOYSA-N 1 2 378.274 2.347 20 0 GEADLO Cc1cc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)ccc1Br ZINC000267488240 532741741 /nfs/dbraw/zinc/74/17/41/532741741.db2.gz MEWBOYIZMSIZPU-UHFFFAOYSA-N 1 2 383.290 2.171 20 0 GEADLO C[C@H]1Cc2cc(-c3csc([C@H]4COCC[NH2+]4)n3)ccc2N1S(C)(=O)=O ZINC000446155755 532754854 /nfs/dbraw/zinc/75/48/54/532754854.db2.gz ICWAFEDKNOOLIF-SMDDNHRTSA-N 1 2 379.507 2.182 20 0 GEADLO CS(=O)(=O)N1CCCc2cc(-c3csc([C@H]4COCC[NH2+]4)n3)ccc21 ZINC000446148195 532755196 /nfs/dbraw/zinc/75/51/96/532755196.db2.gz UIXDJVLWCGXPTM-CQSZACIVSA-N 1 2 379.507 2.183 20 0 GEADLO COc1nnc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000581381860 532755830 /nfs/dbraw/zinc/75/58/30/532755830.db2.gz AQGWFLZIGCGLSS-NEPJUHHUSA-N 1 2 385.852 2.906 20 0 GEADLO COc1nnc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000581381860 532755833 /nfs/dbraw/zinc/75/58/33/532755833.db2.gz AQGWFLZIGCGLSS-NEPJUHHUSA-N 1 2 385.852 2.906 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000301650425 532755980 /nfs/dbraw/zinc/75/59/80/532755980.db2.gz GDQNCWHSUOHSDI-LLVKDONJSA-N 1 2 393.289 2.329 20 0 GEADLO COCC[N@@H+]1CC[C@@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000541555954 532756015 /nfs/dbraw/zinc/75/60/15/532756015.db2.gz QHKFVIQKSUMBDV-CQSZACIVSA-N 1 2 380.290 2.045 20 0 GEADLO COCC[N@H+]1CC[C@@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000541555954 532756022 /nfs/dbraw/zinc/75/60/22/532756022.db2.gz QHKFVIQKSUMBDV-CQSZACIVSA-N 1 2 380.290 2.045 20 0 GEADLO COCCN1CC[C@@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)C1 ZINC000541555954 532756026 /nfs/dbraw/zinc/75/60/26/532756026.db2.gz QHKFVIQKSUMBDV-CQSZACIVSA-N 1 2 380.290 2.045 20 0 GEADLO COc1cncc(S(=O)(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000541556385 532756391 /nfs/dbraw/zinc/75/63/91/532756391.db2.gz GYVBDUUEEDFQSL-UHFFFAOYSA-N 1 2 381.885 2.080 20 0 GEADLO COc1cncc(S(=O)(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000541556385 532756394 /nfs/dbraw/zinc/75/63/94/532756394.db2.gz GYVBDUUEEDFQSL-UHFFFAOYSA-N 1 2 381.885 2.080 20 0 GEADLO Cn1nc(Br)c2c1ncnc2N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301659528 532756552 /nfs/dbraw/zinc/75/65/52/532756552.db2.gz WUZCGQIMZTUFOM-LLVKDONJSA-N 1 2 375.230 2.179 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1Br ZINC000507135944 532756770 /nfs/dbraw/zinc/75/67/70/532756770.db2.gz VQKYARHSVFEPJX-GFCCVEGCSA-N 1 2 377.304 2.058 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1Br ZINC000507135944 532756774 /nfs/dbraw/zinc/75/67/74/532756774.db2.gz VQKYARHSVFEPJX-GFCCVEGCSA-N 1 2 377.304 2.058 20 0 GEADLO C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1ccc(Br)cc1F ZINC000286596175 532757095 /nfs/dbraw/zinc/75/70/95/532757095.db2.gz GQHFPCYYMVKRIC-AAEUAGOBSA-N 1 2 387.297 2.194 20 0 GEADLO C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1ccc(Br)cc1F ZINC000286596175 532757097 /nfs/dbraw/zinc/75/70/97/532757097.db2.gz GQHFPCYYMVKRIC-AAEUAGOBSA-N 1 2 387.297 2.194 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000268246135 532758127 /nfs/dbraw/zinc/75/81/27/532758127.db2.gz YLXUWHWZENVULM-GFCCVEGCSA-N 1 2 379.265 2.082 20 0 GEADLO COc1cc[nH]c(=O)c1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000507768037 532759293 /nfs/dbraw/zinc/75/92/93/532759293.db2.gz SJHWQEXWDLQURT-UHFFFAOYSA-N 1 2 377.198 2.136 20 0 GEADLO CCOc1ccc(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1Br ZINC000268319655 532761545 /nfs/dbraw/zinc/76/15/45/532761545.db2.gz FBZYJDJTUNDFCD-NSHDSACASA-N 1 2 388.287 2.411 20 0 GEADLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](O)CCSC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541166434 532749042 /nfs/dbraw/zinc/74/90/42/532749042.db2.gz LXLIXGLFOKZUCL-DZKIICNBSA-N 1 2 376.444 2.469 20 0 GEADLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](O)CCSC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541166434 532749045 /nfs/dbraw/zinc/74/90/45/532749045.db2.gz LXLIXGLFOKZUCL-DZKIICNBSA-N 1 2 376.444 2.469 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3cnc4ccsc4c3)CC2)S1 ZINC000267630851 532749168 /nfs/dbraw/zinc/74/91/68/532749168.db2.gz NSNBQTYOPBKEOH-LLVKDONJSA-N 1 2 382.536 2.094 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000444720354 532751205 /nfs/dbraw/zinc/75/12/05/532751205.db2.gz SWZIFYKRVLYRIJ-SWLSCSKDSA-N 1 2 381.416 2.104 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000444720354 532751211 /nfs/dbraw/zinc/75/12/11/532751211.db2.gz SWZIFYKRVLYRIJ-SWLSCSKDSA-N 1 2 381.416 2.104 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000506259337 532752850 /nfs/dbraw/zinc/75/28/50/532752850.db2.gz PSSBRRXWXNSNLF-LBPRGKRZSA-N 1 2 384.293 2.373 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccnc2c(Br)cccc12 ZINC000301534255 532753968 /nfs/dbraw/zinc/75/39/68/532753968.db2.gz ADVMLDUPCKWEMR-ZDUSSCGKSA-N 1 2 380.286 2.127 20 0 GEADLO C[C@@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)c1nc(N)nc(N(C)C)n1 ZINC000411776052 532775087 /nfs/dbraw/zinc/77/50/87/532775087.db2.gz YYCFISQMJBUJBQ-NOZJJQNGSA-N 1 2 392.305 2.479 20 0 GEADLO Cc1csc(NC(=O)C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)n1 ZINC000303296561 532776647 /nfs/dbraw/zinc/77/66/47/532776647.db2.gz HWNSGQVFCUXQEF-AWEZNQCLSA-N 1 2 380.539 2.457 20 0 GEADLO Cc1csc(NC(=O)C[N@@H+](C)C[C@@H](c2cccs2)N2CCOCC2)n1 ZINC000303296561 532776651 /nfs/dbraw/zinc/77/66/51/532776651.db2.gz HWNSGQVFCUXQEF-AWEZNQCLSA-N 1 2 380.539 2.457 20 0 GEADLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)Nc1cccnc1Br ZINC000269252897 532777099 /nfs/dbraw/zinc/77/70/99/532777099.db2.gz FJFUECAEORFXPA-UHFFFAOYSA-N 1 2 392.257 2.397 20 0 GEADLO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CCO1 ZINC000620978730 532764854 /nfs/dbraw/zinc/76/48/54/532764854.db2.gz MPPCJJLPKLKWEM-LLVKDONJSA-N 1 2 389.265 2.477 20 0 GEADLO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CCO1 ZINC000620978731 532765135 /nfs/dbraw/zinc/76/51/35/532765135.db2.gz MPPCJJLPKLKWEM-NSHDSACASA-N 1 2 389.265 2.477 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2csc(Br)c2)C1=O ZINC000542155153 532765591 /nfs/dbraw/zinc/76/55/91/532765591.db2.gz UXHYONRHQAMJTC-NSHDSACASA-N 1 2 397.298 2.165 20 0 GEADLO CC(C)(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[NH+]1CCOCC1 ZINC000513790443 532779639 /nfs/dbraw/zinc/77/96/39/532779639.db2.gz YEEFULULRKXTOB-OAHLLOKOSA-N 1 2 396.329 2.255 20 0 GEADLO CC(=O)OCCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000286749974 532767277 /nfs/dbraw/zinc/76/72/77/532767277.db2.gz UUJMNUNFHQZSNA-OAHLLOKOSA-N 1 2 385.873 2.036 20 0 GEADLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)[nH]1 ZINC000268496995 532767503 /nfs/dbraw/zinc/76/75/03/532767503.db2.gz RIQHTOPVYPNSTG-NSHDSACASA-N 1 2 379.262 2.089 20 0 GEADLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)[nH]1 ZINC000268496995 532767508 /nfs/dbraw/zinc/76/75/08/532767508.db2.gz RIQHTOPVYPNSTG-NSHDSACASA-N 1 2 379.262 2.089 20 0 GEADLO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000411592539 532768874 /nfs/dbraw/zinc/76/88/74/532768874.db2.gz CXIPGGDULANINA-UHFFFAOYSA-N 1 2 399.676 2.442 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCCCS1(=O)=O)c1ccsc1 ZINC000542254945 532769375 /nfs/dbraw/zinc/76/93/75/532769375.db2.gz TXZFXKFCIXKMSR-CVEARBPZSA-N 1 2 387.571 2.398 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000286806761 532770294 /nfs/dbraw/zinc/77/02/94/532770294.db2.gz VIEHLBVBCOBRRL-VFZGTOFNSA-N 1 2 397.248 2.236 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000286806761 532770297 /nfs/dbraw/zinc/77/02/97/532770297.db2.gz VIEHLBVBCOBRRL-VFZGTOFNSA-N 1 2 397.248 2.236 20 0 GEADLO COc1cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)sc1Br ZINC000584573858 532770357 /nfs/dbraw/zinc/77/03/57/532770357.db2.gz CONIVCQVJARBSC-AOOOYVTPSA-N 1 2 375.288 2.112 20 0 GEADLO COc1cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)sc1Br ZINC000584573858 532770362 /nfs/dbraw/zinc/77/03/62/532770362.db2.gz CONIVCQVJARBSC-AOOOYVTPSA-N 1 2 375.288 2.112 20 0 GEADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ncncc1Br ZINC000268818237 532771811 /nfs/dbraw/zinc/77/18/11/532771811.db2.gz OJSFGUOFCGOIJT-ZDUSSCGKSA-N 1 2 377.290 2.257 20 0 GEADLO CC(C)CSCCCNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000589008163 532773249 /nfs/dbraw/zinc/77/32/49/532773249.db2.gz VUIQKOMFOJHUJN-UHFFFAOYSA-N 1 2 383.583 2.288 20 0 GEADLO COc1ccc(C[C@H](CO)CNC(=O)CCc2[nH]cc[nH+]2)cc1Br ZINC000456492795 532782589 /nfs/dbraw/zinc/78/25/89/532782589.db2.gz MPAGIIPRWZBVIE-ZDUSSCGKSA-N 1 2 396.285 2.081 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000412062185 532784565 /nfs/dbraw/zinc/78/45/65/532784565.db2.gz BCEAOVMFEOBEHS-NSHDSACASA-N 1 2 381.479 2.180 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000412062185 532784570 /nfs/dbraw/zinc/78/45/70/532784570.db2.gz BCEAOVMFEOBEHS-NSHDSACASA-N 1 2 381.479 2.180 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000412062183 532784783 /nfs/dbraw/zinc/78/47/83/532784783.db2.gz BCEAOVMFEOBEHS-LLVKDONJSA-N 1 2 381.479 2.180 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000412062183 532784785 /nfs/dbraw/zinc/78/47/85/532784785.db2.gz BCEAOVMFEOBEHS-LLVKDONJSA-N 1 2 381.479 2.180 20 0 GEADLO CNC(=O)NC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000412057384 532784807 /nfs/dbraw/zinc/78/48/07/532784807.db2.gz XGQZDWCGOPAMQV-OAHLLOKOSA-N 1 2 385.295 2.492 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(Br)ccc1Cl ZINC000319297385 532785670 /nfs/dbraw/zinc/78/56/70/532785670.db2.gz CFPRXMUSBJPQGI-LBPRGKRZSA-N 1 2 386.633 2.340 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(Br)ccc1Cl ZINC000319297385 532785672 /nfs/dbraw/zinc/78/56/72/532785672.db2.gz CFPRXMUSBJPQGI-LBPRGKRZSA-N 1 2 386.633 2.340 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412103094 532785953 /nfs/dbraw/zinc/78/59/53/532785953.db2.gz KTMCCMGMWSMVOV-RULNRJAQSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412103094 532785956 /nfs/dbraw/zinc/78/59/56/532785956.db2.gz KTMCCMGMWSMVOV-RULNRJAQSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(Br)c(Cl)c1F ZINC000457101678 532786100 /nfs/dbraw/zinc/78/61/00/532786100.db2.gz QIXBDUGTHFIRAI-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(Br)c(Cl)c1F ZINC000457101678 532786103 /nfs/dbraw/zinc/78/61/03/532786103.db2.gz QIXBDUGTHFIRAI-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO CCN(CCS(C)(=O)=O)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000269899634 532792705 /nfs/dbraw/zinc/79/27/05/532792705.db2.gz WSGMYZFPYBSWPE-CYBMUJFWSA-N 1 2 388.559 2.273 20 0 GEADLO CCN(CCS(C)(=O)=O)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000269899634 532792710 /nfs/dbraw/zinc/79/27/10/532792710.db2.gz WSGMYZFPYBSWPE-CYBMUJFWSA-N 1 2 388.559 2.273 20 0 GEADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCc1cccc(Br)c1Cl ZINC000412490033 532793627 /nfs/dbraw/zinc/79/36/27/532793627.db2.gz PFSARAJNHDPDFJ-UHFFFAOYSA-N 1 2 390.709 2.175 20 0 GEADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCc1cccc(Br)c1Cl ZINC000412490033 532793632 /nfs/dbraw/zinc/79/36/32/532793632.db2.gz PFSARAJNHDPDFJ-UHFFFAOYSA-N 1 2 390.709 2.175 20 0 GEADLO O=C([C@@H]1CC12CCS(=O)(=O)CC2)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000328664265 532794616 /nfs/dbraw/zinc/79/46/16/532794616.db2.gz BRJJSZOVFJOOHV-JKSUJKDBSA-N 1 2 382.913 2.028 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000287443086 532795723 /nfs/dbraw/zinc/79/57/23/532795723.db2.gz CZLULNDMARWWHD-LLVKDONJSA-N 1 2 376.835 2.351 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2cccc(Cl)c2OCC(F)F)C1 ZINC000287443086 532795726 /nfs/dbraw/zinc/79/57/26/532795726.db2.gz CZLULNDMARWWHD-LLVKDONJSA-N 1 2 376.835 2.351 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000287432363 532795857 /nfs/dbraw/zinc/79/58/57/532795857.db2.gz QSEDYZNKINETSY-CJNGLKHVSA-N 1 2 394.313 2.197 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000287073631 532781540 /nfs/dbraw/zinc/78/15/40/532781540.db2.gz VCABYJWRSXKFSF-AWEZNQCLSA-N 1 2 379.295 2.265 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000287073631 532781543 /nfs/dbraw/zinc/78/15/43/532781543.db2.gz VCABYJWRSXKFSF-AWEZNQCLSA-N 1 2 379.295 2.265 20 0 GEADLO OCc1cn([C@H]2CCC[N@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)nn1 ZINC000555591171 532807807 /nfs/dbraw/zinc/80/78/07/532807807.db2.gz QYXPMZSCCOHHJW-ZDUSSCGKSA-N 1 2 391.273 2.246 20 0 GEADLO OCc1cn([C@H]2CCC[N@@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)nn1 ZINC000555591171 532807808 /nfs/dbraw/zinc/80/78/08/532807808.db2.gz QYXPMZSCCOHHJW-ZDUSSCGKSA-N 1 2 391.273 2.246 20 0 GEADLO OCc1cn([C@H]2CCC[N@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)nn1 ZINC000555591171 532807811 /nfs/dbraw/zinc/80/78/11/532807811.db2.gz QYXPMZSCCOHHJW-ZDUSSCGKSA-N 1 2 391.273 2.246 20 0 GEADLO OCc1cn([C@H]2CCC[N@@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)nn1 ZINC000555591171 532807814 /nfs/dbraw/zinc/80/78/14/532807814.db2.gz QYXPMZSCCOHHJW-ZDUSSCGKSA-N 1 2 391.273 2.246 20 0 GEADLO COC(=O)[C@]1(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)CCSC1 ZINC000270399075 532797981 /nfs/dbraw/zinc/79/79/81/532797981.db2.gz CFLBYBYGMOYPCB-KRWDZBQOSA-N 1 2 379.507 2.041 20 0 GEADLO Cn1c2c([nH+]c1[C@@H]1CCCN1c1cnn(C)c(=O)c1Br)CCCC2 ZINC000328937923 532799811 /nfs/dbraw/zinc/79/98/11/532799811.db2.gz GMVJRMNBGMLSSL-ZDUSSCGKSA-N 1 2 392.301 2.497 20 0 GEADLO CN(C(=O)C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000270646611 532799863 /nfs/dbraw/zinc/79/98/63/532799863.db2.gz ZLHMQNFUYZHCSA-MRXNPFEDSA-N 1 2 382.302 2.356 20 0 GEADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(F)c1I ZINC000551921726 532802061 /nfs/dbraw/zinc/80/20/61/532802061.db2.gz IASONUJCGFMRDX-QMMMGPOBSA-N 1 2 385.180 2.441 20 0 GEADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(F)c1I ZINC000551921726 532802063 /nfs/dbraw/zinc/80/20/63/532802063.db2.gz IASONUJCGFMRDX-QMMMGPOBSA-N 1 2 385.180 2.441 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)C[C@@H]21 ZINC000329153759 532802858 /nfs/dbraw/zinc/80/28/58/532802858.db2.gz UJQGALHAEDFQBY-JKSUJKDBSA-N 1 2 381.263 2.334 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)C[C@@H]21 ZINC000329153759 532802861 /nfs/dbraw/zinc/80/28/61/532802861.db2.gz UJQGALHAEDFQBY-JKSUJKDBSA-N 1 2 381.263 2.334 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000271025501 532803136 /nfs/dbraw/zinc/80/31/36/532803136.db2.gz VUQQUEUHRWWBBM-CYBMUJFWSA-N 1 2 396.329 2.036 20 0 GEADLO COc1cc(Br)cc(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000271191443 532804724 /nfs/dbraw/zinc/80/47/24/532804724.db2.gz GQYYDMBHGPIVAP-GFCCVEGCSA-N 1 2 385.306 2.215 20 0 GEADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000272223399 532813512 /nfs/dbraw/zinc/81/35/12/532813512.db2.gz KPIAVEOSUXOVTO-QWHCGFSZSA-N 1 2 398.301 2.003 20 0 GEADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000272223399 532813513 /nfs/dbraw/zinc/81/35/13/532813513.db2.gz KPIAVEOSUXOVTO-QWHCGFSZSA-N 1 2 398.301 2.003 20 0 GEADLO CN(C(=O)c1cn2ccc(Br)cc2n1)C(C)(C)C[NH+]1CCOCC1 ZINC000414037362 532817602 /nfs/dbraw/zinc/81/76/02/532817602.db2.gz GEXRHTYZUVKZJW-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO CN1CCO[C@@H]2C[N@H+](Cc3nc(-c4cccc(Br)c4)no3)C[C@H]21 ZINC000330285644 532817074 /nfs/dbraw/zinc/81/70/74/532817074.db2.gz ZEXIFTIMKRGTLW-ZIAGYGMSSA-N 1 2 379.258 2.014 20 0 GEADLO CN1CCO[C@@H]2C[N@@H+](Cc3nc(-c4cccc(Br)c4)no3)C[C@H]21 ZINC000330285644 532817076 /nfs/dbraw/zinc/81/70/76/532817076.db2.gz ZEXIFTIMKRGTLW-ZIAGYGMSSA-N 1 2 379.258 2.014 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)C[C@H]21 ZINC000330285644 532817077 /nfs/dbraw/zinc/81/70/77/532817077.db2.gz ZEXIFTIMKRGTLW-ZIAGYGMSSA-N 1 2 379.258 2.014 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)C[C@H]21 ZINC000330285644 532817079 /nfs/dbraw/zinc/81/70/79/532817079.db2.gz ZEXIFTIMKRGTLW-ZIAGYGMSSA-N 1 2 379.258 2.014 20 0 GEADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)s1 ZINC000414146501 532819715 /nfs/dbraw/zinc/81/97/15/532819715.db2.gz LKONMCBQQGNQGK-NSHDSACASA-N 1 2 383.495 2.031 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000273150926 532820216 /nfs/dbraw/zinc/82/02/16/532820216.db2.gz HSERDQYGVOGDML-HUUCEWRRSA-N 1 2 381.885 2.246 20 0 GEADLO CC(C)c1n[nH]c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1Br ZINC000330653951 532823850 /nfs/dbraw/zinc/82/38/50/532823850.db2.gz MRJBFSPYUQFJMD-LBPRGKRZSA-N 1 2 387.322 2.382 20 0 GEADLO CN1CCC[C@H]([NH2+]Cc2c(Br)cncc2Br)C1=O ZINC000414364512 532822317 /nfs/dbraw/zinc/82/23/17/532822317.db2.gz MMBXCYAAGMKACQ-NSHDSACASA-N 1 2 377.080 2.317 20 0 GEADLO COC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccco1 ZINC000414369033 532822928 /nfs/dbraw/zinc/82/29/28/532822928.db2.gz UHHUFZIZBYFFGU-LBPRGKRZSA-N 1 2 389.271 2.167 20 0 GEADLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2-n2cncn2)s1 ZINC000273555964 532826739 /nfs/dbraw/zinc/82/67/39/532826739.db2.gz COCJRCDFARUDKB-VIFPVBQESA-N 1 2 377.861 2.370 20 0 GEADLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2-n2cncn2)s1 ZINC000273555962 532826842 /nfs/dbraw/zinc/82/68/42/532826842.db2.gz COCJRCDFARUDKB-SECBINFHSA-N 1 2 377.861 2.370 20 0 GEADLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(Br)o2)C[C@H](C)O1 ZINC000330799320 532827038 /nfs/dbraw/zinc/82/70/38/532827038.db2.gz BTQWCVORSIFQDR-QWRGUYRKSA-N 1 2 395.319 2.208 20 0 GEADLO CC[C@@](C)(O)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273577427 532827153 /nfs/dbraw/zinc/82/71/53/532827153.db2.gz NCFIDBFPWLIXLO-MRXNPFEDSA-N 1 2 383.290 2.408 20 0 GEADLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N(C)CC(=O)Nc2ccccc2Cl)s1 ZINC000273582907 532827269 /nfs/dbraw/zinc/82/72/69/532827269.db2.gz HWZWGIZDURIGJX-SNVBAGLBSA-N 1 2 381.889 2.248 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC(CO)CC3)[nH+]c12 ZINC000273596118 532827537 /nfs/dbraw/zinc/82/75/37/532827537.db2.gz WIEHOPBNEULICQ-UHFFFAOYSA-N 1 2 395.301 2.362 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@@H](O)C3)[nH+]c12 ZINC000273601343 532827735 /nfs/dbraw/zinc/82/77/35/532827735.db2.gz YMUYIXDNKCLORV-CQSZACIVSA-N 1 2 381.274 2.114 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000330907320 532830024 /nfs/dbraw/zinc/83/00/24/532830024.db2.gz SRAOFUSOJHKMEQ-RYUDHWBXSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000330907320 532830025 /nfs/dbraw/zinc/83/00/25/532830025.db2.gz SRAOFUSOJHKMEQ-RYUDHWBXSA-N 1 2 382.309 2.242 20 0 GEADLO Cc1cccc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1S(C)(=O)=O ZINC000414473012 532830144 /nfs/dbraw/zinc/83/01/44/532830144.db2.gz PPZZFUUVTUCIHH-UHFFFAOYSA-N 1 2 382.507 2.261 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000414471082 532830641 /nfs/dbraw/zinc/83/06/41/532830641.db2.gz QGBIXTMPDTUCCJ-NSHDSACASA-N 1 2 388.287 2.269 20 0 GEADLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC000330899776 532829279 /nfs/dbraw/zinc/82/92/79/532829279.db2.gz QBOGOZCYFJGEFL-QWRGUYRKSA-N 1 2 380.432 2.270 20 0 GEADLO O[C@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1ncc(I)s1 ZINC000288488481 532829381 /nfs/dbraw/zinc/82/93/81/532829381.db2.gz HCWGJSPQZOGBLM-ZANVPECISA-N 1 2 388.230 2.332 20 0 GEADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(c3[nH+]c4ccccc4n3C)CC2)cc1 ZINC000001370911 209227233 /nfs/dbraw/zinc/22/72/33/209227233.db2.gz WGBWTKZHMACUFR-UHFFFAOYSA-N 1 2 398.488 2.287 20 0 GEADLO C[C@@H]1C[C@@]2(C[C@@H]2C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCO1 ZINC000359977139 209209866 /nfs/dbraw/zinc/20/98/66/209209866.db2.gz VRGVGQFVUVQZIW-NQSCKRDGSA-N 1 2 388.508 2.219 20 0 GEADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1 ZINC000073807385 209217563 /nfs/dbraw/zinc/21/75/63/209217563.db2.gz HXNKPWQFULEDNV-UHFFFAOYSA-N 1 2 375.488 2.260 20 0 GEADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1 ZINC000073807385 209217570 /nfs/dbraw/zinc/21/75/70/209217570.db2.gz HXNKPWQFULEDNV-UHFFFAOYSA-N 1 2 375.488 2.260 20 0 GEADLO COc1cccc([C@H](NC(=O)NCC2CCN(C(C)=O)CC2)c2[nH+]ccn2C)c1 ZINC000359928416 209203836 /nfs/dbraw/zinc/20/38/36/209203836.db2.gz RZELXQJAFOWFKG-IBGZPJMESA-N 1 2 399.495 2.076 20 0 GEADLO COc1cc(OC)c(NC(=O)c2cnn(CC[NH+]3CCOCC3)c2)cc1Cl ZINC000359870140 209198719 /nfs/dbraw/zinc/19/87/19/209198719.db2.gz MXCDJCBVFRUPFE-UHFFFAOYSA-N 1 2 394.859 2.138 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCC[C@H](S(C)(=O)=O)C3)c[nH+]c12 ZINC000274080530 532840767 /nfs/dbraw/zinc/84/07/67/532840767.db2.gz HACDTEOYNPYPRN-AWEZNQCLSA-N 1 2 386.315 2.414 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H]([C@H](C)O)C3)[nH+]c12 ZINC000274205518 532844050 /nfs/dbraw/zinc/84/40/50/532844050.db2.gz MUNBOXDMMXYBMK-NWDGAFQWSA-N 1 2 381.274 2.318 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CC[C@H](CSc2ccccc2)C1 ZINC000274208360 532844293 /nfs/dbraw/zinc/84/42/93/532844293.db2.gz KEJZDHYUSBSBJC-KRWDZBQOSA-N 1 2 384.567 2.153 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)Oc1ccc(OCC(F)(F)F)cc1 ZINC000274236767 532845398 /nfs/dbraw/zinc/84/53/98/532845398.db2.gz SCIPLUVJDBULPX-UHFFFAOYSA-N 1 2 383.388 2.059 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000274308588 532847389 /nfs/dbraw/zinc/84/73/89/532847389.db2.gz LMTRJSOGOBVMTG-SWLSCSKDSA-N 1 2 381.416 2.247 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000274308588 532847392 /nfs/dbraw/zinc/84/73/92/532847392.db2.gz LMTRJSOGOBVMTG-SWLSCSKDSA-N 1 2 381.416 2.247 20 0 GEADLO CC1CC[NH+](CC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC1 ZINC000332017646 532848138 /nfs/dbraw/zinc/84/81/38/532848138.db2.gz FCJSMHVOWGIOSB-UHFFFAOYSA-N 1 2 397.317 2.351 20 0 GEADLO Cc1cccc(C[N@@H+]2C[C@@H]3c4nc(N5CCCC5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC000096083428 211300721 /nfs/dbraw/zinc/30/07/21/211300721.db2.gz UFKATOIVZHRPMD-RBUKOAKNSA-N 1 2 398.532 2.282 20 0 GEADLO Cc1cccc(C[N@H+]2C[C@@H]3c4nc(N5CCCC5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC000096083428 211300723 /nfs/dbraw/zinc/30/07/23/211300723.db2.gz UFKATOIVZHRPMD-RBUKOAKNSA-N 1 2 398.532 2.282 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1ccc(OC)c(Cl)c1 ZINC000274461647 532850348 /nfs/dbraw/zinc/85/03/48/532850348.db2.gz KLRHZPFLIAMHIT-IAQYHMDHSA-N 1 2 386.901 2.116 20 0 GEADLO CC(C)NC(=O)C[NH+]1CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000332257845 532851049 /nfs/dbraw/zinc/85/10/49/532851049.db2.gz VDNFTYIVOOLZBZ-UHFFFAOYSA-N 1 2 384.311 2.283 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(Br)c(C)nn2C)C1 ZINC000289262588 532851520 /nfs/dbraw/zinc/85/15/20/532851520.db2.gz FSCLOOKXUREVGD-GFCCVEGCSA-N 1 2 384.196 2.418 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(Br)c(C)nn2C)C1 ZINC000289262588 532851522 /nfs/dbraw/zinc/85/15/22/532851522.db2.gz FSCLOOKXUREVGD-GFCCVEGCSA-N 1 2 384.196 2.418 20 0 GEADLO CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000289272353 532851733 /nfs/dbraw/zinc/85/17/33/532851733.db2.gz ZRIVVWYKXVWMMS-GHMZBOCLSA-N 1 2 383.392 2.151 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000289337177 532852610 /nfs/dbraw/zinc/85/26/10/532852610.db2.gz YXTBNSMKVHRIQL-TZMCWYRMSA-N 1 2 398.301 2.159 20 0 GEADLO CCN1CCN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332368676 532853131 /nfs/dbraw/zinc/85/31/31/532853131.db2.gz UTOJODOVPSJGBH-AWEZNQCLSA-N 1 2 399.314 2.240 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(Br)c1 ZINC000332622139 532858604 /nfs/dbraw/zinc/85/86/04/532858604.db2.gz CFYQWDDGJRVVIQ-LBPRGKRZSA-N 1 2 384.274 2.396 20 0 GEADLO Cn1c(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)nc2ccc(Br)cc21 ZINC000275011955 532861320 /nfs/dbraw/zinc/86/13/20/532861320.db2.gz QLBGGWXZDNUHIZ-ZDUSSCGKSA-N 1 2 392.301 2.372 20 0 GEADLO Cn1c(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)nc2ccc(Br)cc21 ZINC000275011955 532861322 /nfs/dbraw/zinc/86/13/22/532861322.db2.gz QLBGGWXZDNUHIZ-ZDUSSCGKSA-N 1 2 392.301 2.372 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCSC(C)(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000333032610 532862648 /nfs/dbraw/zinc/86/26/48/532862648.db2.gz MOVGDGVLXFXUFL-GJZGRUSLSA-N 1 2 376.588 2.018 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCSC(C)(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000333032610 532862650 /nfs/dbraw/zinc/86/26/50/532862650.db2.gz MOVGDGVLXFXUFL-GJZGRUSLSA-N 1 2 376.588 2.018 20 0 GEADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000333058862 532863244 /nfs/dbraw/zinc/86/32/44/532863244.db2.gz MRBDDHYLXFNSJB-UAGQMJEPSA-N 1 2 398.297 2.259 20 0 GEADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000333058862 532863246 /nfs/dbraw/zinc/86/32/46/532863246.db2.gz MRBDDHYLXFNSJB-UAGQMJEPSA-N 1 2 398.297 2.259 20 0 GEADLO C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)[C@@H](C)S(C)(=O)=O ZINC000416121047 532864330 /nfs/dbraw/zinc/86/43/30/532864330.db2.gz FTGFHNYXLFPNAO-ZOWXZIJZSA-N 1 2 383.901 2.348 20 0 GEADLO COc1ccc(Br)cc1C1(C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000416142516 532864975 /nfs/dbraw/zinc/86/49/75/532864975.db2.gz CTVGXBJUAHYBAD-UHFFFAOYSA-N 1 2 397.313 2.280 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000275138449 532865977 /nfs/dbraw/zinc/86/59/77/532865977.db2.gz DBJMFGCYYYDAGJ-NWDGAFQWSA-N 1 2 380.290 2.275 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N[C@@H]1CCCC[C@@H]1O ZINC000333201410 532866043 /nfs/dbraw/zinc/86/60/43/532866043.db2.gz RIGPLLOKBFALAV-OCCSQVGLSA-N 1 2 399.289 2.106 20 0 GEADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275149051 532866569 /nfs/dbraw/zinc/86/65/69/532866569.db2.gz XIMBTLCQXGNJDJ-ZJUUUORDSA-N 1 2 378.782 2.062 20 0 GEADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275149051 532866571 /nfs/dbraw/zinc/86/65/71/532866571.db2.gz XIMBTLCQXGNJDJ-ZJUUUORDSA-N 1 2 378.782 2.062 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21)c1ccsc1 ZINC000333302128 532866648 /nfs/dbraw/zinc/86/66/48/532866648.db2.gz MNGNWJYEOLBKLS-OAGGEKHMSA-N 1 2 385.555 2.102 20 0 GEADLO C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)O1 ZINC000333544252 532870525 /nfs/dbraw/zinc/87/05/25/532870525.db2.gz SOPMRGYCMHLUNO-UEKVPHQBSA-N 1 2 384.274 2.433 20 0 GEADLO COc1cc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)sc1Br ZINC000416315397 532870329 /nfs/dbraw/zinc/87/03/29/532870329.db2.gz URVZBUZHYOHDSC-NXEZZACHSA-N 1 2 377.304 2.046 20 0 GEADLO COc1cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)sc1Br ZINC000416315397 532870330 /nfs/dbraw/zinc/87/03/30/532870330.db2.gz URVZBUZHYOHDSC-NXEZZACHSA-N 1 2 377.304 2.046 20 0 GEADLO O=S(=O)(C[C@H]1CCCC1(F)F)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333738545 532872934 /nfs/dbraw/zinc/87/29/34/532872934.db2.gz VHEYJJVFDDOZSA-OAHLLOKOSA-N 1 2 380.501 2.376 20 0 GEADLO COCCC[N@H+](Cc1cc2c(cc1Cl)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000290109495 532872912 /nfs/dbraw/zinc/87/29/12/532872912.db2.gz YFHUTNVHCOKVQU-AWEZNQCLSA-N 1 2 389.901 2.137 20 0 GEADLO COCCC[N@@H+](Cc1cc2c(cc1Cl)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000290109495 532872914 /nfs/dbraw/zinc/87/29/14/532872914.db2.gz YFHUTNVHCOKVQU-AWEZNQCLSA-N 1 2 389.901 2.137 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000333843618 532873871 /nfs/dbraw/zinc/87/38/71/532873871.db2.gz NVUOHHWSQKWIPG-HZMBPMFUSA-N 1 2 386.265 2.205 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000333843618 532873873 /nfs/dbraw/zinc/87/38/73/532873873.db2.gz NVUOHHWSQKWIPG-HZMBPMFUSA-N 1 2 386.265 2.205 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c(F)cc1Br ZINC000416384270 532874040 /nfs/dbraw/zinc/87/40/40/532874040.db2.gz FZAJIVIGIQWFNE-UHFFFAOYSA-N 1 2 377.279 2.365 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000333843621 532874246 /nfs/dbraw/zinc/87/42/46/532874246.db2.gz NVUOHHWSQKWIPG-QMTHXVAHSA-N 1 2 386.265 2.205 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000333843621 532874249 /nfs/dbraw/zinc/87/42/49/532874249.db2.gz NVUOHHWSQKWIPG-QMTHXVAHSA-N 1 2 386.265 2.205 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)C[C@@H]3CCCC(=O)N3)[nH+]c12 ZINC000290238786 532875548 /nfs/dbraw/zinc/87/55/48/532875548.db2.gz JBLNXDRZNVXCCD-ZDUSSCGKSA-N 1 2 393.285 2.123 20 0 GEADLO CSc1nnc(CNC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)s1 ZINC000275451863 532876893 /nfs/dbraw/zinc/87/68/93/532876893.db2.gz SMOMAWHEISZWPQ-LBPRGKRZSA-N 1 2 378.527 2.243 20 0 GEADLO C[N@H+](CCN1CCNC1=O)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000290365457 532878919 /nfs/dbraw/zinc/87/89/19/532878919.db2.gz RBOHEGDZHNFIES-UHFFFAOYSA-N 1 2 378.782 2.254 20 0 GEADLO C[N@@H+](CCN1CCNC1=O)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000290365457 532878920 /nfs/dbraw/zinc/87/89/20/532878920.db2.gz RBOHEGDZHNFIES-UHFFFAOYSA-N 1 2 378.782 2.254 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000348444696 532878968 /nfs/dbraw/zinc/87/89/68/532878968.db2.gz OOEPAHMDXZQODI-IHRRRGAJSA-N 1 2 375.226 2.191 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000348444696 532878971 /nfs/dbraw/zinc/87/89/71/532878971.db2.gz OOEPAHMDXZQODI-IHRRRGAJSA-N 1 2 375.226 2.191 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)ncc1Br ZINC000290380466 532879709 /nfs/dbraw/zinc/87/97/09/532879709.db2.gz AZFISWYGZJQYOU-QWRGUYRKSA-N 1 2 388.693 2.433 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1)c1ncn(C)n1 ZINC000275655600 532880563 /nfs/dbraw/zinc/88/05/63/532880563.db2.gz OJYJNDZFZKULJI-NEPJUHHUSA-N 1 2 380.290 2.275 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000276004183 532887048 /nfs/dbraw/zinc/88/70/48/532887048.db2.gz IGICIRNHEBAYGG-UHFFFAOYSA-N 1 2 380.491 2.484 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000276004183 532887050 /nfs/dbraw/zinc/88/70/50/532887050.db2.gz IGICIRNHEBAYGG-UHFFFAOYSA-N 1 2 380.491 2.484 20 0 GEADLO CCOc1cc(C[N@H+](CCOC)[C@H]2CCS(=O)(=O)C2)cc(Cl)c1OC ZINC000290607488 532884678 /nfs/dbraw/zinc/88/46/78/532884678.db2.gz WHLMBDVCYZTVQR-AWEZNQCLSA-N 1 2 391.917 2.383 20 0 GEADLO CCOc1cc(C[N@@H+](CCOC)[C@H]2CCS(=O)(=O)C2)cc(Cl)c1OC ZINC000290607488 532884679 /nfs/dbraw/zinc/88/46/79/532884679.db2.gz WHLMBDVCYZTVQR-AWEZNQCLSA-N 1 2 391.917 2.383 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000290780026 532889139 /nfs/dbraw/zinc/88/91/39/532889139.db2.gz CFFLXBLUQYQUNK-CYBMUJFWSA-N 1 2 378.274 2.133 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000290780026 532889142 /nfs/dbraw/zinc/88/91/42/532889142.db2.gz CFFLXBLUQYQUNK-CYBMUJFWSA-N 1 2 378.274 2.133 20 0 GEADLO COc1sc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1Br ZINC000360810521 532891393 /nfs/dbraw/zinc/89/13/93/532891393.db2.gz LKPGCQCVEJSHFC-NSHDSACASA-N 1 2 395.344 2.175 20 0 GEADLO COc1sc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1Br ZINC000360810521 532891395 /nfs/dbraw/zinc/89/13/95/532891395.db2.gz LKPGCQCVEJSHFC-NSHDSACASA-N 1 2 395.344 2.175 20 0 GEADLO COc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1I ZINC000290898168 532892148 /nfs/dbraw/zinc/89/21/48/532892148.db2.gz GXAPKFCHYSPDEO-UHFFFAOYSA-N 1 2 383.189 2.152 20 0 GEADLO Cc1cc(Br)cn2cc(CNS(=O)(=O)[C@@H]3CCO[C@H]3C)[nH+]c12 ZINC000276269548 532892439 /nfs/dbraw/zinc/89/24/39/532892439.db2.gz ZHCZIKGKHYWUMR-GXFFZTMASA-N 1 2 388.287 2.002 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000361234817 532892607 /nfs/dbraw/zinc/89/26/07/532892607.db2.gz SKPFPJIMNPKNEW-DOMZBBRYSA-N 1 2 379.309 2.183 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000361234817 532892610 /nfs/dbraw/zinc/89/26/10/532892610.db2.gz SKPFPJIMNPKNEW-DOMZBBRYSA-N 1 2 379.309 2.183 20 0 GEADLO [NH3+][C@H](C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)c1cscn1 ZINC000423066615 532893098 /nfs/dbraw/zinc/89/30/98/532893098.db2.gz XNOYDRSFSDJXRK-AWEZNQCLSA-N 1 2 399.303 2.434 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCCc3cn[nH]c3)[nH+]c12 ZINC000290953999 532893760 /nfs/dbraw/zinc/89/37/60/532893760.db2.gz QNGZQBCJIHAHPO-UHFFFAOYSA-N 1 2 377.246 2.170 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000290975575 532893821 /nfs/dbraw/zinc/89/38/21/532893821.db2.gz JAUAGHUMMYSDDR-IUODEOHRSA-N 1 2 398.301 2.159 20 0 GEADLO [NH3+][C@@H](C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)c1cscn1 ZINC000423070111 532892980 /nfs/dbraw/zinc/89/29/80/532892980.db2.gz MRSJOJUIKWIVCF-OAHLLOKOSA-N 1 2 378.885 2.171 20 0 GEADLO Cc1cccc2[nH+]c(C[S@@](=O)Cc3ccc(S(=O)(=O)N(C)C)s3)cn21 ZINC000424613517 532896552 /nfs/dbraw/zinc/89/65/52/532896552.db2.gz ZSDVDXDUUIUAHG-XMMPIXPASA-N 1 2 397.547 2.403 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)C1 ZINC000362639961 532896637 /nfs/dbraw/zinc/89/66/37/532896637.db2.gz LVFDWQDQYHXJCA-AWEZNQCLSA-N 1 2 386.880 2.097 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)C1 ZINC000362639961 532896638 /nfs/dbraw/zinc/89/66/38/532896638.db2.gz LVFDWQDQYHXJCA-AWEZNQCLSA-N 1 2 386.880 2.097 20 0 GEADLO C[C@@H](NC(=O)Cc1noc2ccc(Br)cc21)[C@H](C)[NH+]1CCOCC1 ZINC000424647818 532896911 /nfs/dbraw/zinc/89/69/11/532896911.db2.gz LDFQDIOGBOZPMR-NEPJUHHUSA-N 1 2 396.285 2.358 20 0 GEADLO CC(C)[C@H](NC(=O)CNC(=O)c1ccc(Br)s1)c1[nH]cc[nH+]1 ZINC000276530015 532897429 /nfs/dbraw/zinc/89/74/29/532897429.db2.gz CZVIFFHBNIQAGB-LBPRGKRZSA-N 1 2 385.287 2.477 20 0 GEADLO COCC[C@H]1COCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000291184805 532897937 /nfs/dbraw/zinc/89/79/37/532897937.db2.gz IFCUUBPBJOLVFL-CJNGLKHVSA-N 1 2 385.302 2.364 20 0 GEADLO COCC[C@H]1COCC[N@H+]1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000291184805 532897939 /nfs/dbraw/zinc/89/79/39/532897939.db2.gz IFCUUBPBJOLVFL-CJNGLKHVSA-N 1 2 385.302 2.364 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cc(Br)ccc1C)CC2 ZINC000363683941 532900307 /nfs/dbraw/zinc/90/03/07/532900307.db2.gz DXPURJYEFXTBRX-UHFFFAOYSA-N 1 2 377.242 2.243 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363692283 532900347 /nfs/dbraw/zinc/90/03/47/532900347.db2.gz VDJHXFRQLDYDOK-GOEBONIOSA-N 1 2 379.448 2.414 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)N(C)C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363692283 532900350 /nfs/dbraw/zinc/90/03/50/532900350.db2.gz VDJHXFRQLDYDOK-GOEBONIOSA-N 1 2 379.448 2.414 20 0 GEADLO Cc1cnc(Br)c(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000291228647 532898742 /nfs/dbraw/zinc/89/87/42/532898742.db2.gz CSVIZAXDFZACEO-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000291433506 532901931 /nfs/dbraw/zinc/90/19/31/532901931.db2.gz BKKPHFXNPKMKQA-UHFFFAOYSA-N 1 2 376.404 2.155 20 0 GEADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000276765651 532900610 /nfs/dbraw/zinc/90/06/10/532900610.db2.gz XNQAAIYLXZCCNK-GQCTYLIASA-N 1 2 380.857 2.500 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H](C)[C@@H]3CO)[nH+]c12 ZINC000276788397 532900874 /nfs/dbraw/zinc/90/08/74/532900874.db2.gz QQSGUIVNBZQGFH-HZMBPMFUSA-N 1 2 381.274 2.318 20 0 GEADLO Cc1cnc(Br)c(NC(=O)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000291539682 532904065 /nfs/dbraw/zinc/90/40/65/532904065.db2.gz SBRDFJKJFRKVFV-UHFFFAOYSA-N 1 2 392.257 2.104 20 0 GEADLO Cc1cc(NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)cc(C)c1Br ZINC000276981158 532905185 /nfs/dbraw/zinc/90/51/85/532905185.db2.gz FKEFDQSKQMNSDX-UHFFFAOYSA-N 1 2 379.258 2.397 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000291655508 532906315 /nfs/dbraw/zinc/90/63/15/532906315.db2.gz ISPNWMBWUSMFND-UHFFFAOYSA-N 1 2 399.285 2.030 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000277066422 532907297 /nfs/dbraw/zinc/90/72/97/532907297.db2.gz RVCKNTIFPRBFJB-KGLIPLIRSA-N 1 2 395.301 2.185 20 0 GEADLO Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365863110 532912590 /nfs/dbraw/zinc/91/25/90/532912590.db2.gz RECCRLCQHQJHPE-AWEZNQCLSA-N 1 2 377.539 2.115 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000292008149 532911788 /nfs/dbraw/zinc/91/17/88/532911788.db2.gz XQTZLZKVXYUJOV-SNVBAGLBSA-N 1 2 397.285 2.419 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000292008149 532911791 /nfs/dbraw/zinc/91/17/91/532911791.db2.gz XQTZLZKVXYUJOV-SNVBAGLBSA-N 1 2 397.285 2.419 20 0 GEADLO O=C(NCCc1ccc(Br)s1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366135351 532914672 /nfs/dbraw/zinc/91/46/72/532914672.db2.gz PJVUHSRENCFTOF-GFCCVEGCSA-N 1 2 388.331 2.216 20 0 GEADLO O=C(NCCc1ccc(Br)s1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366135351 532914673 /nfs/dbraw/zinc/91/46/73/532914673.db2.gz PJVUHSRENCFTOF-GFCCVEGCSA-N 1 2 388.331 2.216 20 0 GEADLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000366376880 532916661 /nfs/dbraw/zinc/91/66/61/532916661.db2.gz KYXCRJZODJIIFR-HNNXBMFYSA-N 1 2 383.901 2.137 20 0 GEADLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000366376880 532916663 /nfs/dbraw/zinc/91/66/63/532916663.db2.gz KYXCRJZODJIIFR-HNNXBMFYSA-N 1 2 383.901 2.137 20 0 GEADLO Clc1ncc(Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)s1 ZINC000366404140 532916923 /nfs/dbraw/zinc/91/69/23/532916923.db2.gz XOVIDZNJLSCAQM-AWEZNQCLSA-N 1 2 376.873 2.405 20 0 GEADLO Clc1ncc(Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)s1 ZINC000366404140 532916924 /nfs/dbraw/zinc/91/69/24/532916924.db2.gz XOVIDZNJLSCAQM-AWEZNQCLSA-N 1 2 376.873 2.405 20 0 GEADLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000292687981 532917595 /nfs/dbraw/zinc/91/75/95/532917595.db2.gz BCWRPPSPQZMPJW-LLVKDONJSA-N 1 2 390.299 2.087 20 0 GEADLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000292687981 532917597 /nfs/dbraw/zinc/91/75/97/532917597.db2.gz BCWRPPSPQZMPJW-LLVKDONJSA-N 1 2 390.299 2.087 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC[C@@H](CS(C)(=O)=O)C3)c[nH+]c12 ZINC000292781189 532918346 /nfs/dbraw/zinc/91/83/46/532918346.db2.gz LKJIBASHXYIXIP-GFCCVEGCSA-N 1 2 386.315 2.272 20 0 GEADLO CCOC(=O)C1(COC)CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000366597778 532919336 /nfs/dbraw/zinc/91/93/36/532919336.db2.gz VHUWUBQZYVALCT-UHFFFAOYSA-N 1 2 388.917 2.309 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000292972537 532920673 /nfs/dbraw/zinc/92/06/73/532920673.db2.gz ILBBVNFVGVGVRV-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO O=C1N[C@H]2C[N@H+](Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]2CO1 ZINC000366903590 532921766 /nfs/dbraw/zinc/92/17/66/532921766.db2.gz POBNSFANPCBEIF-MFKMUULPSA-N 1 2 393.241 2.429 20 0 GEADLO O=C1N[C@H]2C[N@@H+](Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]2CO1 ZINC000366903590 532921767 /nfs/dbraw/zinc/92/17/67/532921767.db2.gz POBNSFANPCBEIF-MFKMUULPSA-N 1 2 393.241 2.429 20 0 GEADLO O=C1CO[C@@H]2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)C[C@H]2N1 ZINC000367154542 532922924 /nfs/dbraw/zinc/92/29/24/532922924.db2.gz VGLGFOMIBZDETO-DGCLKSJQSA-N 1 2 380.217 2.230 20 0 GEADLO CN1C(=O)[C@H]2CN(c3cc[nH+]c4c(Br)ccc(F)c43)CCN2C1=O ZINC000367145368 532923044 /nfs/dbraw/zinc/92/30/44/532923044.db2.gz JZNPVYNSDVOWNN-GFCCVEGCSA-N 1 2 393.216 2.219 20 0 GEADLO Cn1ncc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1I ZINC000293160114 532923049 /nfs/dbraw/zinc/92/30/49/532923049.db2.gz VOIOSYKBKFWEGW-JTQLQIEISA-N 1 2 385.209 2.115 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000367143401 532923066 /nfs/dbraw/zinc/92/30/66/532923066.db2.gz HXUUXBNGENEHQF-IUODEOHRSA-N 1 2 378.778 2.164 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000367143401 532923068 /nfs/dbraw/zinc/92/30/68/532923068.db2.gz HXUUXBNGENEHQF-IUODEOHRSA-N 1 2 378.778 2.164 20 0 GEADLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1nn(C)cc1Br ZINC000293188444 532923212 /nfs/dbraw/zinc/92/32/12/532923212.db2.gz YHQWOGFZESDXHY-UHFFFAOYSA-N 1 2 380.168 2.214 20 0 GEADLO COc1cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc(Cl)c1OC ZINC000367681741 532926522 /nfs/dbraw/zinc/92/65/22/532926522.db2.gz FAAHHALESPJEPH-CYBMUJFWSA-N 1 2 376.906 2.213 20 0 GEADLO COc1cc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc(Cl)c1OC ZINC000367681741 532926523 /nfs/dbraw/zinc/92/65/23/532926523.db2.gz FAAHHALESPJEPH-CYBMUJFWSA-N 1 2 376.906 2.213 20 0 GEADLO CC(=O)c1ccc(NCC[N@@H+]2CCc3sccc3C2)c(S(N)(=O)=O)c1 ZINC000367721129 532926789 /nfs/dbraw/zinc/92/67/89/532926789.db2.gz OBDDRZYKYQPTMI-UHFFFAOYSA-N 1 2 379.507 2.068 20 0 GEADLO CC(=O)c1ccc(NCC[N@H+]2CCc3sccc3C2)c(S(N)(=O)=O)c1 ZINC000367721129 532926791 /nfs/dbraw/zinc/92/67/91/532926791.db2.gz OBDDRZYKYQPTMI-UHFFFAOYSA-N 1 2 379.507 2.068 20 0 GEADLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000367756087 532927124 /nfs/dbraw/zinc/92/71/24/532927124.db2.gz DAVHSLVQZGJWRK-QEJZJMRPSA-N 1 2 385.555 2.337 20 0 GEADLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000367756087 532927126 /nfs/dbraw/zinc/92/71/26/532927126.db2.gz DAVHSLVQZGJWRK-QEJZJMRPSA-N 1 2 385.555 2.337 20 0 GEADLO OCc1cn([C@@H]2CCC[N@H+](Cc3nc4ccccn4c3Br)C2)nn1 ZINC000293562586 532928695 /nfs/dbraw/zinc/92/86/95/532928695.db2.gz GGADQPJBIIOOAX-CYBMUJFWSA-N 1 2 391.273 2.018 20 0 GEADLO OCc1cn([C@@H]2CCC[N@@H+](Cc3nc4ccccn4c3Br)C2)nn1 ZINC000293562586 532928697 /nfs/dbraw/zinc/92/86/97/532928697.db2.gz GGADQPJBIIOOAX-CYBMUJFWSA-N 1 2 391.273 2.018 20 0 GEADLO CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)s1 ZINC000368023760 532929550 /nfs/dbraw/zinc/92/95/50/532929550.db2.gz UOGIWGVLPCIIOT-HNNXBMFYSA-N 1 2 387.571 2.067 20 0 GEADLO CC(C)(C)c1ncc(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)s1 ZINC000368023760 532929551 /nfs/dbraw/zinc/92/95/51/532929551.db2.gz UOGIWGVLPCIIOT-HNNXBMFYSA-N 1 2 387.571 2.067 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000293810282 532932032 /nfs/dbraw/zinc/93/20/32/532932032.db2.gz DZULAMCTPXXEHY-GFCCVEGCSA-N 1 2 386.315 2.353 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1cncc(I)c1 ZINC000368433893 532932304 /nfs/dbraw/zinc/93/23/04/532932304.db2.gz NRJYKOCWKFPLDC-LBPRGKRZSA-N 1 2 382.205 2.397 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000368300878 532931282 /nfs/dbraw/zinc/93/12/82/532931282.db2.gz CUIRRJWHBFWCDD-UHFFFAOYSA-N 1 2 398.937 2.480 20 0 GEADLO COc1ccc(Br)cc1NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368364049 532931820 /nfs/dbraw/zinc/93/18/20/532931820.db2.gz VBLQFJBYSJLVEI-ZDUSSCGKSA-N 1 2 384.274 2.442 20 0 GEADLO COc1ccc(Br)cc1NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368364049 532931821 /nfs/dbraw/zinc/93/18/21/532931821.db2.gz VBLQFJBYSJLVEI-ZDUSSCGKSA-N 1 2 384.274 2.442 20 0 GEADLO Brc1cccc(Cc2noc(C[N@@H+]3CC[C@@H](n4cncn4)C3)n2)c1 ZINC000368882254 532935083 /nfs/dbraw/zinc/93/50/83/532935083.db2.gz MNVTZVDUDKOLAO-CQSZACIVSA-N 1 2 389.257 2.461 20 0 GEADLO Brc1cccc(Cc2noc(C[N@H+]3CC[C@@H](n4cncn4)C3)n2)c1 ZINC000368882254 532935085 /nfs/dbraw/zinc/93/50/85/532935085.db2.gz MNVTZVDUDKOLAO-CQSZACIVSA-N 1 2 389.257 2.461 20 0 GEADLO O=S(=O)(C1CC[NH+](Cc2ccnc(Br)c2)CC1)N1CCCC1 ZINC000294089566 532935607 /nfs/dbraw/zinc/93/56/07/532935607.db2.gz LTWMPNSBZFUMKP-UHFFFAOYSA-N 1 2 388.331 2.234 20 0 GEADLO Cn1cnc(C[NH2+][C@@H]2CCCOc3ccc(I)cc32)n1 ZINC000368467298 532932792 /nfs/dbraw/zinc/93/27/92/532932792.db2.gz QYHSTFQEKYJLQC-GFCCVEGCSA-N 1 2 384.221 2.423 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C(=O)O1 ZINC000293981684 532934206 /nfs/dbraw/zinc/93/42/06/532934206.db2.gz RHIDXIGKLPXLQL-BYCMXARLSA-N 1 2 381.270 2.406 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368781801 532934404 /nfs/dbraw/zinc/93/44/04/532934404.db2.gz JWFVVXKUSIKNTF-SWLSCSKDSA-N 1 2 395.301 2.266 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368781801 532934406 /nfs/dbraw/zinc/93/44/06/532934406.db2.gz JWFVVXKUSIKNTF-SWLSCSKDSA-N 1 2 395.301 2.266 20 0 GEADLO CS(=O)(=O)NCC[NH+]1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000369109227 532936989 /nfs/dbraw/zinc/93/69/89/532936989.db2.gz SBEIUMCXSARZOV-UHFFFAOYSA-N 1 2 379.309 2.437 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000294214547 532937140 /nfs/dbraw/zinc/93/71/40/532937140.db2.gz LVLGHQUFHWEQDJ-CQSZACIVSA-N 1 2 380.242 2.386 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000369210351 532937494 /nfs/dbraw/zinc/93/74/94/532937494.db2.gz WIAPRAXDTJLSAK-LBPRGKRZSA-N 1 2 378.274 2.261 20 0 GEADLO CNS(=O)(=O)CC[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000294357809 532938366 /nfs/dbraw/zinc/93/83/66/532938366.db2.gz QCYJKATXDGFSKK-AWEZNQCLSA-N 1 2 391.262 2.409 20 0 GEADLO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSc2n[nH]c(=S)s2)cn1 ZINC000369959589 532941605 /nfs/dbraw/zinc/94/16/05/532941605.db2.gz RVOIDRAGFPXFGE-UHFFFAOYSA-N 1 2 378.508 2.124 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000370092367 532942200 /nfs/dbraw/zinc/94/22/00/532942200.db2.gz MOWAVFOUUVEKPW-MRVWCRGKSA-N 1 2 381.929 2.316 20 0 GEADLO Cc1cc(Br)ccc1C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000370796059 532945365 /nfs/dbraw/zinc/94/53/65/532945365.db2.gz PDDHKVNFBXFBEM-UHFFFAOYSA-N 1 2 394.313 2.313 20 0 GEADLO CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1 ZINC000370865159 532945870 /nfs/dbraw/zinc/94/58/70/532945870.db2.gz NQDLQXSYLKFICW-CJNGLKHVSA-N 1 2 385.555 2.138 20 0 GEADLO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1 ZINC000370865159 532945871 /nfs/dbraw/zinc/94/58/71/532945871.db2.gz NQDLQXSYLKFICW-CJNGLKHVSA-N 1 2 385.555 2.138 20 0 GEADLO O=C(Cc1ccc(I)cc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370518897 532943974 /nfs/dbraw/zinc/94/39/74/532943974.db2.gz STWFXECAJMZUJP-GFCCVEGCSA-N 1 2 381.217 2.231 20 0 GEADLO O=C(Cc1ccc(I)cc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370518897 532943975 /nfs/dbraw/zinc/94/39/75/532943975.db2.gz STWFXECAJMZUJP-GFCCVEGCSA-N 1 2 381.217 2.231 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCCOC1)Nc1ccccc1Br ZINC000370544954 532944156 /nfs/dbraw/zinc/94/41/56/532944156.db2.gz BBUJKTSKAKBZCB-QGZVFWFLSA-N 1 2 398.301 2.452 20 0 GEADLO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000370591762 532944479 /nfs/dbraw/zinc/94/44/79/532944479.db2.gz BDMLOHUEBQETTE-ZIAGYGMSSA-N 1 2 385.555 2.091 20 0 GEADLO CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000370591762 532944480 /nfs/dbraw/zinc/94/44/80/532944480.db2.gz BDMLOHUEBQETTE-ZIAGYGMSSA-N 1 2 385.555 2.091 20 0 GEADLO CCn1cc[nH+]c1CN1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000371539162 532948510 /nfs/dbraw/zinc/94/85/10/532948510.db2.gz XAHCQXLDTIAQRR-UHFFFAOYSA-N 1 2 382.917 2.499 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000371540950 532948565 /nfs/dbraw/zinc/94/85/65/532948565.db2.gz LJEVZDUEQZPXAN-KBPBESRZSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000371540950 532948566 /nfs/dbraw/zinc/94/85/66/532948566.db2.gz LJEVZDUEQZPXAN-KBPBESRZSA-N 1 2 384.307 2.377 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)CCCOC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000371703824 532949367 /nfs/dbraw/zinc/94/93/67/532949367.db2.gz PYTWHMRICJAJCR-GOEBONIOSA-N 1 2 380.432 2.195 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)CCCOC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000371703824 532949368 /nfs/dbraw/zinc/94/93/68/532949368.db2.gz PYTWHMRICJAJCR-GOEBONIOSA-N 1 2 380.432 2.195 20 0 GEADLO O=C(CN1CC[NH+](Cc2ccccc2Cl)CC1)N1CC(=O)Nc2ccccc21 ZINC000019715493 210285763 /nfs/dbraw/zinc/28/57/63/210285763.db2.gz QABGGZVADFTYKO-UHFFFAOYSA-N 1 2 398.894 2.443 20 0 GEADLO O=C(C[NH+]1CCN(c2ncnc3sccc32)CC1)N1CCc2sccc2C1 ZINC000097110697 136188115 /nfs/dbraw/zinc/18/81/15/136188115.db2.gz FJTPOBSVXFWFLB-UHFFFAOYSA-N 1 2 399.545 2.460 20 0 GEADLO O=S(=O)(c1ccccc1Br)N1CCN(c2cccc[nH+]2)CC1 ZINC000016093651 136201973 /nfs/dbraw/zinc/20/19/73/136201973.db2.gz YPZYJGZCPVZABA-UHFFFAOYSA-N 1 2 382.283 2.355 20 0 GEADLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1ccccc1-c1nn[nH]n1 ZINC000737822552 599060083 /nfs/dbraw/zinc/06/00/83/599060083.db2.gz ZSSVFWZETAMHBH-GOSISDBHSA-N 1 2 393.447 2.201 20 0 GEADLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1ccccc1-c1nn[nH]n1 ZINC000737822552 599060086 /nfs/dbraw/zinc/06/00/86/599060086.db2.gz ZSSVFWZETAMHBH-GOSISDBHSA-N 1 2 393.447 2.201 20 0 GEADLO C[N@H+](CCOc1ccc(Cl)cc1)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736802474 599065743 /nfs/dbraw/zinc/06/57/43/599065743.db2.gz SSEBMGVDHZTMJR-MRXNPFEDSA-N 1 2 386.843 2.057 20 0 GEADLO C[N@@H+](CCOc1ccc(Cl)cc1)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736802474 599065746 /nfs/dbraw/zinc/06/57/46/599065746.db2.gz SSEBMGVDHZTMJR-MRXNPFEDSA-N 1 2 386.843 2.057 20 0 GEADLO Cc1ccc2c(C)cc(N(C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)[nH+]c2c1 ZINC000822275019 599141688 /nfs/dbraw/zinc/14/16/88/599141688.db2.gz NIPNWYQEVGGKGI-UHFFFAOYSA-N 1 2 377.456 2.406 20 0 GEADLO C[C@@H](NC(=O)COc1cccc(-c2nn[nH]n2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820328724 599205961 /nfs/dbraw/zinc/20/59/61/599205961.db2.gz RPPNIVYLECQMCL-CQSZACIVSA-N 1 2 389.419 2.309 20 0 GEADLO O=C(C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1)N1CCCC1 ZINC000737792980 599263194 /nfs/dbraw/zinc/26/31/94/599263194.db2.gz UVSINZYOORVZHI-UHFFFAOYSA-N 1 2 377.452 2.254 20 0 GEADLO Clc1cc(NC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)ccc1-n1cc[nH+]c1 ZINC000822568496 607315196 /nfs/dbraw/zinc/31/51/96/607315196.db2.gz SUEIUIHPNFUIFC-NSHDSACASA-N 1 2 396.846 2.056 20 0 GEADLO Clc1cc(NC[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)ccc1-n1cc[nH+]c1 ZINC000822568495 607315297 /nfs/dbraw/zinc/31/52/97/607315297.db2.gz SUEIUIHPNFUIFC-LLVKDONJSA-N 1 2 396.846 2.056 20 0 GEADLO COC(=O)c1cc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)ccc1OC ZINC000736938621 599267372 /nfs/dbraw/zinc/26/73/72/599267372.db2.gz ADECAHKCOVRBOG-UHFFFAOYSA-N 1 2 390.403 2.244 20 0 GEADLO FC(F)(F)[C@@H]1CCCn2c(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)nnc21 ZINC000737626743 599285798 /nfs/dbraw/zinc/28/57/98/599285798.db2.gz KBMMKRXENXIZGM-GFCCVEGCSA-N 1 2 378.362 2.188 20 0 GEADLO FC(F)(F)[C@H]1CCCn2c(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)nnc21 ZINC000737626745 599285899 /nfs/dbraw/zinc/28/58/99/599285899.db2.gz KBMMKRXENXIZGM-LBPRGKRZSA-N 1 2 378.362 2.188 20 0 GEADLO Fc1cccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c1-c1nn[nH]n1 ZINC000737665720 598242264 /nfs/dbraw/zinc/24/22/64/598242264.db2.gz UXYBLBZUTUYEDM-UHFFFAOYSA-N 1 2 398.442 2.329 20 0 GEADLO CC1CCC(N(C)C(=O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000736241498 598252235 /nfs/dbraw/zinc/25/22/35/598252235.db2.gz PFZAKTLTXMUHTR-UHFFFAOYSA-N 1 2 397.527 2.026 20 0 GEADLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736243086 598252593 /nfs/dbraw/zinc/25/25/93/598252593.db2.gz VALCIDGPOUEFIH-AQFXKWCLSA-N 1 2 397.527 2.072 20 0 GEADLO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737437010 598253020 /nfs/dbraw/zinc/25/30/20/598253020.db2.gz VIGPOGYMJFNCST-MRXNPFEDSA-N 1 2 391.479 2.324 20 0 GEADLO CC(C)COC[C@@H]([NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1ccco1 ZINC000735838745 598275009 /nfs/dbraw/zinc/27/50/09/598275009.db2.gz UOUZZLJGEAKEIF-OAHLLOKOSA-N 1 2 382.428 2.006 20 0 GEADLO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735515093 598290623 /nfs/dbraw/zinc/29/06/23/598290623.db2.gz ZGYSSHGNYNBTPR-MRXNPFEDSA-N 1 2 391.479 2.040 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000735733645 598296890 /nfs/dbraw/zinc/29/68/90/598296890.db2.gz ICHHSVKVOGJIRT-GOSISDBHSA-N 1 2 395.467 2.330 20 0 GEADLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736140462 598332564 /nfs/dbraw/zinc/33/25/64/598332564.db2.gz WKWGLMXLAMLCGI-UONOGXRCSA-N 1 2 380.456 2.039 20 0 GEADLO C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736140462 598332566 /nfs/dbraw/zinc/33/25/66/598332566.db2.gz WKWGLMXLAMLCGI-UONOGXRCSA-N 1 2 380.456 2.039 20 0 GEADLO CC(C)OC1CC[NH+](CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735895084 598428647 /nfs/dbraw/zinc/42/86/47/598428647.db2.gz OGNFNWLFVKUXOU-UHFFFAOYSA-N 1 2 378.864 2.348 20 0 GEADLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737105359 598431634 /nfs/dbraw/zinc/43/16/34/598431634.db2.gz XSPABRSYMGRDJR-UHFFFAOYSA-N 1 2 393.451 2.225 20 0 GEADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)cn2)C[C@H](C)O1 ZINC000736289157 598445151 /nfs/dbraw/zinc/44/51/51/598445151.db2.gz KDJBJZRSFHPTPZ-KBPBESRZSA-N 1 2 393.451 2.123 20 0 GEADLO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1nccn1CC(F)(F)F ZINC000736801258 598509385 /nfs/dbraw/zinc/50/93/85/598509385.db2.gz GKRGVIAOMYESML-UHFFFAOYSA-N 1 2 381.362 2.136 20 0 GEADLO C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1nccn1CC(F)(F)F ZINC000736801258 598509386 /nfs/dbraw/zinc/50/93/86/598509386.db2.gz GKRGVIAOMYESML-UHFFFAOYSA-N 1 2 381.362 2.136 20 0 GEADLO c1csc([C@H](CNc2nc3ccccn3c2-c2nn[nH]n2)[NH+]2CCOCC2)c1 ZINC000738453573 598567202 /nfs/dbraw/zinc/56/72/02/598567202.db2.gz XATMUQRNWSHJQM-ZDUSSCGKSA-N 1 2 396.480 2.061 20 0 GEADLO CC[N@H+](CC(=O)NCC(=O)c1cccs1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736510653 598621912 /nfs/dbraw/zinc/62/19/12/598621912.db2.gz DUMKBHSFPKSBQT-ZDUSSCGKSA-N 1 2 398.492 2.310 20 0 GEADLO CC[N@@H+](CC(=O)NCC(=O)c1cccs1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736510653 598621913 /nfs/dbraw/zinc/62/19/13/598621913.db2.gz DUMKBHSFPKSBQT-ZDUSSCGKSA-N 1 2 398.492 2.310 20 0 GEADLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000821849302 607364400 /nfs/dbraw/zinc/36/44/00/607364400.db2.gz CNTRWXVZFIVBFO-ZDUSSCGKSA-N 1 2 378.436 2.261 20 0 GEADLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000821849302 607364402 /nfs/dbraw/zinc/36/44/02/607364402.db2.gz CNTRWXVZFIVBFO-ZDUSSCGKSA-N 1 2 378.436 2.261 20 0 GEADLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C[C@@H]2O ZINC000737108738 598680940 /nfs/dbraw/zinc/68/09/40/598680940.db2.gz ASOZLWSMRZMXBR-HNNXBMFYSA-N 1 2 385.399 2.072 20 0 GEADLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C[C@@H]2O ZINC000737108738 598680942 /nfs/dbraw/zinc/68/09/42/598680942.db2.gz ASOZLWSMRZMXBR-HNNXBMFYSA-N 1 2 385.399 2.072 20 0 GEADLO C[C@@H]1c2ccccc2OCC[N@@H+]1[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736302323 598762763 /nfs/dbraw/zinc/76/27/63/598762763.db2.gz GKBHZBCUXZVFRW-KDOFPFPSSA-N 1 2 390.447 2.428 20 0 GEADLO C[C@@H]1c2ccccc2OCC[N@H+]1[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736302323 598762764 /nfs/dbraw/zinc/76/27/64/598762764.db2.gz GKBHZBCUXZVFRW-KDOFPFPSSA-N 1 2 390.447 2.428 20 0 GEADLO CC(C)[C@@H](C)C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000735702598 598803662 /nfs/dbraw/zinc/80/36/62/598803662.db2.gz PQDSJRRCPQIUMU-CQSZACIVSA-N 1 2 379.468 2.356 20 0 GEADLO O=C(OCc1ccccc1-c1nn[nH]n1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000738232996 598816483 /nfs/dbraw/zinc/81/64/83/598816483.db2.gz CFAHUNWZIRHPDI-LJQANCHMSA-N 1 2 393.447 2.108 20 0 GEADLO C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc(-c2nn[nH]n2)c1 ZINC000820366951 599406924 /nfs/dbraw/zinc/40/69/24/599406924.db2.gz QMTDUPZHQVXDNU-CYBMUJFWSA-N 1 2 380.456 2.002 20 0 GEADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736907025 599444739 /nfs/dbraw/zinc/44/47/39/599444739.db2.gz HOBXQHVCKAXAHO-SFHVURJKSA-N 1 2 376.420 2.466 20 0 GEADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736907025 599444741 /nfs/dbraw/zinc/44/47/41/599444741.db2.gz HOBXQHVCKAXAHO-SFHVURJKSA-N 1 2 376.420 2.466 20 0 GEADLO O=C([O-])Nc1ccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000740025763 600096072 /nfs/dbraw/zinc/09/60/72/600096072.db2.gz WPCSSZIGZWJUGN-MRXNPFEDSA-N 1 2 383.452 2.222 20 0 GEADLO O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000740025763 600096073 /nfs/dbraw/zinc/09/60/73/600096073.db2.gz WPCSSZIGZWJUGN-MRXNPFEDSA-N 1 2 383.452 2.222 20 0 GEADLO C[C@H](Sc1ccccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000736711366 600592817 /nfs/dbraw/zinc/59/28/17/600592817.db2.gz AUQXTDWOKHHRIH-HNNXBMFYSA-N 1 2 393.553 2.350 20 0 GEADLO C[C@H](Sc1ccccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000736711366 600592819 /nfs/dbraw/zinc/59/28/19/600592819.db2.gz AUQXTDWOKHHRIH-HNNXBMFYSA-N 1 2 393.553 2.350 20 0 GEADLO CC[C@](C)([NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)c1nccs1 ZINC000825043396 607465613 /nfs/dbraw/zinc/46/56/13/607465613.db2.gz HAKRDCAISCYXGF-INIZCTEOSA-N 1 2 375.458 2.387 20 0 GEADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825307939 607479079 /nfs/dbraw/zinc/47/90/79/607479079.db2.gz RJAZQCGLNBVDNH-UHFFFAOYSA-N 1 2 381.440 2.121 20 0 GEADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825307939 607479080 /nfs/dbraw/zinc/47/90/80/607479080.db2.gz RJAZQCGLNBVDNH-UHFFFAOYSA-N 1 2 381.440 2.121 20 0 GEADLO Cc1ccc2oc(N3CC[NH+](Cc4ccnc(-c5nn[nH]n5)c4)CC3)nc2c1 ZINC000826295604 607497742 /nfs/dbraw/zinc/49/77/42/607497742.db2.gz PCNSTXXCPMWDQX-UHFFFAOYSA-N 1 2 376.424 2.034 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)cc1-c1nn[nH]n1 ZINC000826195429 607513208 /nfs/dbraw/zinc/51/32/08/607513208.db2.gz UHKTZRHWJWINDU-UHFFFAOYSA-N 1 2 386.406 2.476 20 0 GEADLO COc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1NC(=O)[O-] ZINC000829159424 603281870 /nfs/dbraw/zinc/28/18/70/603281870.db2.gz RXAJNPQNMLELTL-UHFFFAOYSA-N 1 2 393.488 2.275 20 0 GEADLO COc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1NC(=O)[O-] ZINC000829159424 603281872 /nfs/dbraw/zinc/28/18/72/603281872.db2.gz RXAJNPQNMLELTL-UHFFFAOYSA-N 1 2 393.488 2.275 20 0 GEADLO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C12CCC2 ZINC000825582351 607640641 /nfs/dbraw/zinc/64/06/41/607640641.db2.gz JSOGHPDSGWMZPC-ZIAGYGMSSA-N 1 2 388.472 2.295 20 0 GEADLO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C12CCC2 ZINC000825582351 607640642 /nfs/dbraw/zinc/64/06/42/607640642.db2.gz JSOGHPDSGWMZPC-ZIAGYGMSSA-N 1 2 388.472 2.295 20 0 GEADLO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000830934488 604370595 /nfs/dbraw/zinc/37/05/95/604370595.db2.gz GRDHHHQNSRYQAY-MRXNPFEDSA-N 1 2 387.505 2.338 20 0 GEADLO C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000830934488 604370597 /nfs/dbraw/zinc/37/05/97/604370597.db2.gz GRDHHHQNSRYQAY-MRXNPFEDSA-N 1 2 387.505 2.338 20 0 GEADLO C[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1CCC(=O)[O-] ZINC000833618466 605258693 /nfs/dbraw/zinc/25/86/93/605258693.db2.gz OJQXYECXRBBDLH-LPHOPBHVSA-N 1 2 391.487 2.188 20 0 GEADLO C[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@H+]1CCC(=O)[O-] ZINC000833618466 605258696 /nfs/dbraw/zinc/25/86/96/605258696.db2.gz OJQXYECXRBBDLH-LPHOPBHVSA-N 1 2 391.487 2.188 20 0 GEADLO C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1CCC(=O)[O-] ZINC000833618466 605258699 /nfs/dbraw/zinc/25/86/99/605258699.db2.gz OJQXYECXRBBDLH-LPHOPBHVSA-N 1 2 391.487 2.188 20 0 GEADLO C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1CCC(=O)[O-] ZINC000833618466 605258702 /nfs/dbraw/zinc/25/87/02/605258702.db2.gz OJQXYECXRBBDLH-LPHOPBHVSA-N 1 2 391.487 2.188 20 0 GEADLO CCOC(=O)Nc1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1-c1nn[nH]n1 ZINC000825545004 607759643 /nfs/dbraw/zinc/75/96/43/607759643.db2.gz KOSIGIATAYQREG-UHFFFAOYSA-N 1 2 392.379 2.335 20 0 GEADLO C[C@@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000833817474 605677901 /nfs/dbraw/zinc/67/79/01/605677901.db2.gz HFZMQSWOBLJXET-OXQOHEQNSA-N 1 2 390.528 2.074 20 0 GEADLO C[C@@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000833817474 605677907 /nfs/dbraw/zinc/67/79/07/605677907.db2.gz HFZMQSWOBLJXET-OXQOHEQNSA-N 1 2 390.528 2.074 20 0 GEADLO O=C([O-])N1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000834102330 606034929 /nfs/dbraw/zinc/03/49/29/606034929.db2.gz BONOCMJTTGNKPJ-GOSISDBHSA-N 1 2 377.485 2.020 20 0 GEADLO C[N@H+](Cc1ccc(Cl)nc1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821611070 606070017 /nfs/dbraw/zinc/07/00/17/606070017.db2.gz PLSGDVMJXCJSGP-OAHLLOKOSA-N 1 2 383.843 2.152 20 0 GEADLO C[N@@H+](Cc1ccc(Cl)nc1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821611070 606070022 /nfs/dbraw/zinc/07/00/22/606070022.db2.gz PLSGDVMJXCJSGP-OAHLLOKOSA-N 1 2 383.843 2.152 20 0 GEADLO CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1-c1nn[nH]n1 ZINC000821990283 606152357 /nfs/dbraw/zinc/15/23/57/606152357.db2.gz QPBZACPGPZUKTG-NSHDSACASA-N 1 2 398.496 2.124 20 0 GEADLO Cc1nc([C@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cs1 ZINC000822427858 606305749 /nfs/dbraw/zinc/30/57/49/606305749.db2.gz XRIRZSRLSSGCRC-KWQFWETISA-N 1 2 375.483 2.149 20 0 GEADLO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821000821 606334586 /nfs/dbraw/zinc/33/45/86/606334586.db2.gz JZRCDLDUCQCHQO-QZTJIDSGSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821000821 606334588 /nfs/dbraw/zinc/33/45/88/606334588.db2.gz JZRCDLDUCQCHQO-QZTJIDSGSA-N 1 2 383.500 2.144 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445889464 649965953 /nfs/dbraw/zinc/96/59/53/649965953.db2.gz ZWXQXBGNGIPQEF-AWEZNQCLSA-N 1 2 399.285 2.226 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445889464 649965962 /nfs/dbraw/zinc/96/59/62/649965962.db2.gz ZWXQXBGNGIPQEF-AWEZNQCLSA-N 1 2 399.285 2.226 20 0 GEADLO C[NH+]1CCN(CCOc2ccc(NCc3ccc(-c4nn[nH]n4)s3)cc2)CC1 ZINC000821626905 606424372 /nfs/dbraw/zinc/42/43/72/606424372.db2.gz DVZMLIWFEGQSTG-UHFFFAOYSA-N 1 2 399.524 2.167 20 0 GEADLO CN1CC[NH+](CCOc2ccc(NCc3ccc(-c4nn[nH]n4)s3)cc2)CC1 ZINC000821626905 606424374 /nfs/dbraw/zinc/42/43/74/606424374.db2.gz DVZMLIWFEGQSTG-UHFFFAOYSA-N 1 2 399.524 2.167 20 0 GEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000821589380 606518892 /nfs/dbraw/zinc/51/88/92/606518892.db2.gz LDXQCGHRLBJLOP-UHFFFAOYSA-N 1 2 397.508 2.393 20 0 GEADLO O=C1[C@H]2CCCCC[C@@H]2N1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823520899 606632285 /nfs/dbraw/zinc/63/22/85/606632285.db2.gz OVSBDRLUBVLFGC-OALUTQOASA-N 1 2 396.495 2.459 20 0 GEADLO O=C(COc1cccc(-c2nn[nH]n2)c1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000823044267 606644106 /nfs/dbraw/zinc/64/41/06/606644106.db2.gz QNAOCPUIUGQVHL-UHFFFAOYSA-N 1 2 376.376 2.175 20 0 GEADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)n1 ZINC000822248873 606697889 /nfs/dbraw/zinc/69/78/89/606697889.db2.gz RIZXOVWQDHQWJV-UHFFFAOYSA-N 1 2 392.467 2.228 20 0 GEADLO O=C(C1=CCCC1)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822912102 606721789 /nfs/dbraw/zinc/72/17/89/606721789.db2.gz MVNNBLWSYRWAGA-UHFFFAOYSA-N 1 2 375.436 2.174 20 0 GEADLO CC(C)(C)OCCC[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000819951874 606764571 /nfs/dbraw/zinc/76/45/71/606764571.db2.gz YYWSVBMJBIBFMP-UHFFFAOYSA-N 1 2 375.477 2.059 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822993686 606815019 /nfs/dbraw/zinc/81/50/19/606815019.db2.gz VNNCTNJLIJHQPM-CQSZACIVSA-N 1 2 399.842 2.007 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](Oc2cccnc2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822993686 606815021 /nfs/dbraw/zinc/81/50/21/606815021.db2.gz VNNCTNJLIJHQPM-CQSZACIVSA-N 1 2 399.842 2.007 20 0 GEADLO O[C@@H](CN1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681928 606844848 /nfs/dbraw/zinc/84/48/48/606844848.db2.gz LLOROSYWCPHVDP-PAKAJVGYSA-N 1 2 390.491 2.231 20 0 GEADLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821615609 606855987 /nfs/dbraw/zinc/85/59/87/606855987.db2.gz FKIXEQOAGVWLFU-IBGZPJMESA-N 1 2 375.436 2.218 20 0 GEADLO C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821615609 606855988 /nfs/dbraw/zinc/85/59/88/606855988.db2.gz FKIXEQOAGVWLFU-IBGZPJMESA-N 1 2 375.436 2.218 20 0 GEADLO CCc1ccc(CN2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000821486599 606862263 /nfs/dbraw/zinc/86/22/63/606862263.db2.gz IASXEWTUTUMIKZ-IBGZPJMESA-N 1 2 398.536 2.342 20 0 GEADLO C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1cnn(-c2ccccc2)n1 ZINC000821600527 606885244 /nfs/dbraw/zinc/88/52/44/606885244.db2.gz QVXFHVJKWADFHA-UHFFFAOYSA-N 1 2 390.451 2.348 20 0 GEADLO C[N@@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1cnn(-c2ccccc2)n1 ZINC000821600527 606885246 /nfs/dbraw/zinc/88/52/46/606885246.db2.gz QVXFHVJKWADFHA-UHFFFAOYSA-N 1 2 390.451 2.348 20 0 GEADLO O[C@@H](C[C@@H]1COCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000823674523 606915482 /nfs/dbraw/zinc/91/54/82/606915482.db2.gz RBVRBLUWKKBQGN-AEFFLSMTSA-N 1 2 399.451 2.053 20 0 GEADLO O[C@@H](C[C@@H]1COCC[N@H+]1CCCOc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000823674523 606915483 /nfs/dbraw/zinc/91/54/83/606915483.db2.gz RBVRBLUWKKBQGN-AEFFLSMTSA-N 1 2 399.451 2.053 20 0 GEADLO Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(Cc3cccc(Cl)c3)C(=O)C2)[nH+]1 ZINC000822193414 606949038 /nfs/dbraw/zinc/94/90/38/606949038.db2.gz WROKMPGHXLOXLP-UHFFFAOYSA-N 1 2 397.870 2.381 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)Nc1sccc1-c1nn[nH]n1 ZINC000822996803 606985901 /nfs/dbraw/zinc/98/59/01/606985901.db2.gz JJXREOXLYCGTNH-DGCLKSJQSA-N 1 2 388.453 2.048 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)Nc1sccc1-c1nn[nH]n1 ZINC000822996803 606985903 /nfs/dbraw/zinc/98/59/03/606985903.db2.gz JJXREOXLYCGTNH-DGCLKSJQSA-N 1 2 388.453 2.048 20 0 GEADLO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000819991532 607020725 /nfs/dbraw/zinc/02/07/25/607020725.db2.gz IFNACLAQRZBGJP-HNNXBMFYSA-N 1 2 381.440 2.084 20 0 GEADLO C[C@H]1CCN(C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000820717577 607092761 /nfs/dbraw/zinc/09/27/61/607092761.db2.gz SSYYNALLOKTPIT-WMLDXEAASA-N 1 2 397.508 2.406 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821601641 607165281 /nfs/dbraw/zinc/16/52/81/607165281.db2.gz RPUALUCUHPOEKR-UHFFFAOYSA-N 1 2 383.456 2.161 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c(-c2nn[nH]n2)c1C ZINC000822557516 607177595 /nfs/dbraw/zinc/17/75/95/607177595.db2.gz ITHOJLLPAKOTLY-CQSZACIVSA-N 1 2 399.480 2.032 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c(-c2nn[nH]n2)c1C ZINC000822557516 607177596 /nfs/dbraw/zinc/17/75/96/607177596.db2.gz ITHOJLLPAKOTLY-CQSZACIVSA-N 1 2 399.480 2.032 20 0 GEADLO CCc1ccc(C[N@H+](C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825712731 607814456 /nfs/dbraw/zinc/81/44/56/607814456.db2.gz WFURSBQGFKCBQD-UHFFFAOYSA-N 1 2 385.493 2.335 20 0 GEADLO CCc1ccc(C[N@@H+](C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825712731 607814457 /nfs/dbraw/zinc/81/44/57/607814457.db2.gz WFURSBQGFKCBQD-UHFFFAOYSA-N 1 2 385.493 2.335 20 0 GEADLO Cc1oc(NC(=O)C[NH+]2CCC(c3ccccn3)CC2)c(-c2nn[nH]n2)c1C ZINC000826342021 607830930 /nfs/dbraw/zinc/83/09/30/607830930.db2.gz VVCLCBLEUWHWKM-UHFFFAOYSA-N 1 2 381.440 2.290 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+](CCc2nccs2)C(C)C)c(-c2nn[nH]n2)c1C ZINC000826341341 607831904 /nfs/dbraw/zinc/83/19/04/607831904.db2.gz FCIYWSVIAYBNSA-UHFFFAOYSA-N 1 2 389.485 2.425 20 0 GEADLO Cc1oc(NC(=O)C[N@H+](CCc2nccs2)C(C)C)c(-c2nn[nH]n2)c1C ZINC000826341341 607831905 /nfs/dbraw/zinc/83/19/05/607831905.db2.gz FCIYWSVIAYBNSA-UHFFFAOYSA-N 1 2 389.485 2.425 20 0 GEADLO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826010726 607853625 /nfs/dbraw/zinc/85/36/25/607853625.db2.gz PMMXQQMGZZZYMS-CJNGLKHVSA-N 1 2 390.806 2.314 20 0 GEADLO Cc1cnc(CC[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)s1 ZINC000826318379 607858168 /nfs/dbraw/zinc/85/81/68/607858168.db2.gz GQJYZISYSXUXAT-NSHDSACASA-N 1 2 389.485 2.343 20 0 GEADLO Cc1cnc(CC[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)s1 ZINC000826318379 607858169 /nfs/dbraw/zinc/85/81/69/607858169.db2.gz GQJYZISYSXUXAT-NSHDSACASA-N 1 2 389.485 2.343 20 0 GEADLO Cc1cnc(CC[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)s1 ZINC000826318378 607858302 /nfs/dbraw/zinc/85/83/02/607858302.db2.gz GQJYZISYSXUXAT-LLVKDONJSA-N 1 2 389.485 2.343 20 0 GEADLO Cc1cnc(CC[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)s1 ZINC000826318378 607858303 /nfs/dbraw/zinc/85/83/03/607858303.db2.gz GQJYZISYSXUXAT-LLVKDONJSA-N 1 2 389.485 2.343 20 0 GEADLO COc1cc(C)[nH+]c(CN2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000826178287 607940520 /nfs/dbraw/zinc/94/05/20/607940520.db2.gz QYOUUCFQNGLXTM-UHFFFAOYSA-N 1 2 383.431 2.040 20 0 GEADLO Fc1ccc(C[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)c(-c2nn[nH]n2)c1 ZINC000826374740 608087158 /nfs/dbraw/zinc/08/71/58/608087158.db2.gz KZWFCINIJMXCQM-UHFFFAOYSA-N 1 2 392.442 2.200 20 0 GEADLO CN(C[C@H](O)C1CC1)c1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000825901155 608122901 /nfs/dbraw/zinc/12/29/01/608122901.db2.gz BUZZIANBFZHUDG-AWEZNQCLSA-N 1 2 376.367 2.223 20 0 GEADLO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 ZINC000825399631 608157451 /nfs/dbraw/zinc/15/74/51/608157451.db2.gz ZUYRVRDMLUTPOQ-OALUTQOASA-N 1 2 395.463 2.445 20 0 GEADLO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 ZINC000825399631 608157452 /nfs/dbraw/zinc/15/74/52/608157452.db2.gz ZUYRVRDMLUTPOQ-OALUTQOASA-N 1 2 395.463 2.445 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2cccc(Cl)c2-c2nn[nH]n2)CC1 ZINC000825460531 608205549 /nfs/dbraw/zinc/20/55/49/608205549.db2.gz ZROMWTZCUUXBIJ-LLVKDONJSA-N 1 2 380.905 2.165 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](Nc2ncccc2-c2nn[nH]n2)c2ccc(Cl)cc2)C1 ZINC000826044622 608235291 /nfs/dbraw/zinc/23/52/91/608235291.db2.gz IJOSAPNGDRBZJT-JKSUJKDBSA-N 1 2 385.859 2.399 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](Nc2ncccc2-c2nn[nH]n2)c2ccc(Cl)cc2)C1 ZINC000826044622 608235292 /nfs/dbraw/zinc/23/52/92/608235292.db2.gz IJOSAPNGDRBZJT-JKSUJKDBSA-N 1 2 385.859 2.399 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc(F)c1Cl ZINC000825000379 608258301 /nfs/dbraw/zinc/25/83/01/608258301.db2.gz PDBYTXSJZWMPHZ-NSHDSACASA-N 1 2 388.838 2.160 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cccc(F)c1Cl ZINC000825000379 608258302 /nfs/dbraw/zinc/25/83/02/608258302.db2.gz PDBYTXSJZWMPHZ-NSHDSACASA-N 1 2 388.838 2.160 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)c(NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000826276370 608272920 /nfs/dbraw/zinc/27/29/20/608272920.db2.gz CTNKNPIYULTCOD-LJQANCHMSA-N 1 2 392.511 2.361 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)c(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000826276370 608272921 /nfs/dbraw/zinc/27/29/21/608272921.db2.gz CTNKNPIYULTCOD-LJQANCHMSA-N 1 2 392.511 2.361 20 0 GEADLO Cc1ccc([C@@H](CNc2nc(C)ccc2-c2nn[nH]n2)[NH+]2CCOCC2)s1 ZINC000826275635 608285600 /nfs/dbraw/zinc/28/56/00/608285600.db2.gz FSRIGXCUYDFAPP-OAHLLOKOSA-N 1 2 385.497 2.425 20 0 GEADLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)CC2)[nH]n1 ZINC000826265703 608384656 /nfs/dbraw/zinc/38/46/56/608384656.db2.gz JWZBNPPLRGKQRV-GFCCVEGCSA-N 1 2 398.471 2.315 20 0 GEADLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)CC2)n[nH]1 ZINC000826265703 608384658 /nfs/dbraw/zinc/38/46/58/608384658.db2.gz JWZBNPPLRGKQRV-GFCCVEGCSA-N 1 2 398.471 2.315 20 0 GEADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC000825159628 608424812 /nfs/dbraw/zinc/42/48/12/608424812.db2.gz QUZBZFRXJVYTFI-MRXNPFEDSA-N 1 2 386.410 2.208 20 0 GEADLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(OC(F)F)c1 ZINC000824530195 608444106 /nfs/dbraw/zinc/44/41/06/608444106.db2.gz JUSKABPJEVWLJH-BMIGLBTASA-N 1 2 388.378 2.345 20 0 GEADLO CN(Cc1ccco1)C(=O)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825986190 608464214 /nfs/dbraw/zinc/46/42/14/608464214.db2.gz SLHUTYMRCGZILJ-UHFFFAOYSA-N 1 2 378.436 2.207 20 0 GEADLO CN(Cc1ccco1)C(=O)C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825986190 608464216 /nfs/dbraw/zinc/46/42/16/608464216.db2.gz SLHUTYMRCGZILJ-UHFFFAOYSA-N 1 2 378.436 2.207 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824627278 608467576 /nfs/dbraw/zinc/46/75/76/608467576.db2.gz VWXHOKNNNXIITR-LLVKDONJSA-N 1 2 391.391 2.496 20 0 GEADLO Cc1cc(NC(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c(C)c[nH+]1 ZINC000826269981 608477437 /nfs/dbraw/zinc/47/74/37/608477437.db2.gz GAWGWXVCPWNWRN-UHFFFAOYSA-N 1 2 393.451 2.376 20 0 GEADLO CC(C)Cc1ncc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC000824280391 608516016 /nfs/dbraw/zinc/51/60/16/608516016.db2.gz LVGYUUYQXVVYPP-UHFFFAOYSA-N 1 2 384.513 2.239 20 0 GEADLO Cc1cccc([C@H](CNc2nc(-c3nn[nH]n3)ccc2C)[NH+]2CCOCC2)c1 ZINC000826296208 608543417 /nfs/dbraw/zinc/54/34/17/608543417.db2.gz MXBIBRMQXSPYBX-SFHVURJKSA-N 1 2 379.468 2.364 20 0 GEADLO Cc1ccoc1C[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826315593 608548317 /nfs/dbraw/zinc/54/83/17/608548317.db2.gz NJFKZJXCTAQAQT-UHFFFAOYSA-N 1 2 381.396 2.338 20 0 GEADLO CCc1ncc(C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)s1 ZINC000825749721 608589332 /nfs/dbraw/zinc/58/93/32/608589332.db2.gz GTYPJUWOBWFSBJ-UHFFFAOYSA-N 1 2 386.485 2.073 20 0 GEADLO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826473135 608649423 /nfs/dbraw/zinc/64/94/23/608649423.db2.gz MEWIOJBRZJVKCW-UHFFFAOYSA-N 1 2 398.417 2.493 20 0 GEADLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826473135 608649425 /nfs/dbraw/zinc/64/94/25/608649425.db2.gz MEWIOJBRZJVKCW-UHFFFAOYSA-N 1 2 398.417 2.493 20 0 GEADLO C[C@H](c1nc(C2CC2)no1)N1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824779867 608686588 /nfs/dbraw/zinc/68/65/88/608686588.db2.gz XRBYLFCJQIDAOU-LLVKDONJSA-N 1 2 386.485 2.067 20 0 GEADLO C[C@H]1CN(Cc2cc(-c3nn[nH]n3)cs2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000824983814 608687079 /nfs/dbraw/zinc/68/70/79/608687079.db2.gz DBIAMQPGGLWGOX-KBXCAEBGSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@H]1CN(Cc2cc(-c3nn[nH]n3)cs2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000824983814 608687080 /nfs/dbraw/zinc/68/70/80/608687080.db2.gz DBIAMQPGGLWGOX-KBXCAEBGSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)cs2)CCN1C[C@@H](O)c1ccccc1 ZINC000824983814 608687081 /nfs/dbraw/zinc/68/70/81/608687081.db2.gz DBIAMQPGGLWGOX-KBXCAEBGSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)cs2)CCN1C[C@@H](O)c1ccccc1 ZINC000824983814 608687082 /nfs/dbraw/zinc/68/70/82/608687082.db2.gz DBIAMQPGGLWGOX-KBXCAEBGSA-N 1 2 384.509 2.168 20 0 GEADLO c1cc(-c2nn[nH]n2)oc1C[NH+]1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000826519279 608692115 /nfs/dbraw/zinc/69/21/15/608692115.db2.gz RLNMHVNDOUXMOH-UHFFFAOYSA-N 1 2 391.435 2.433 20 0 GEADLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](Cc2ccccc2)OC1=O ZINC000825976793 609280467 /nfs/dbraw/zinc/28/04/67/609280467.db2.gz PZTIJGXSUOJNSY-SFHVURJKSA-N 1 2 378.436 2.320 20 0 GEADLO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](Cc2ccccc2)OC1=O ZINC000825976793 609280469 /nfs/dbraw/zinc/28/04/69/609280469.db2.gz PZTIJGXSUOJNSY-SFHVURJKSA-N 1 2 378.436 2.320 20 0 GEADLO OCC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccccc1Br ZINC000826509075 609384395 /nfs/dbraw/zinc/38/43/95/609384395.db2.gz KUXFHGZPEZCZED-CYBMUJFWSA-N 1 2 378.230 2.436 20 0 GEADLO CCc1cc(N2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)nc(C)[nH+]1 ZINC000825700909 609436747 /nfs/dbraw/zinc/43/67/47/609436747.db2.gz YRNNJTLCVZJJKU-UHFFFAOYSA-N 1 2 392.467 2.383 20 0 GEADLO Cc1nc(NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c2c([nH+]1)CCCC2 ZINC000826327995 609437308 /nfs/dbraw/zinc/43/73/08/609437308.db2.gz BXJFLMNAPCUAGR-UHFFFAOYSA-N 1 2 391.483 2.320 20 0 GEADLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1ccc(-c2nn[nH]n2)cc1F ZINC000825511685 609439779 /nfs/dbraw/zinc/43/97/79/609439779.db2.gz AHMSOKBIAPWKJV-UHFFFAOYSA-N 1 2 384.415 2.356 20 0 GEADLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1ccc(-c2nn[nH]n2)cc1F ZINC000825511685 609439780 /nfs/dbraw/zinc/43/97/80/609439780.db2.gz AHMSOKBIAPWKJV-UHFFFAOYSA-N 1 2 384.415 2.356 20 0 GEADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000825626098 609445944 /nfs/dbraw/zinc/44/59/44/609445944.db2.gz IOAZYBQHODINKC-UHFFFAOYSA-N 1 2 376.380 2.098 20 0 GEADLO O=C1[C@H]([NH2+]Cc2csc(C3CC3)n2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476746 609600944 /nfs/dbraw/zinc/60/09/44/609600944.db2.gz OEKCVXGSAPKHDY-MRXNPFEDSA-N 1 2 395.492 2.486 20 0 GEADLO C[NH+](C)[C@@H](C(=O)OCCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825849351 609621242 /nfs/dbraw/zinc/62/12/42/609621242.db2.gz KJUXBUKKVUDTRH-GOSISDBHSA-N 1 2 381.436 2.482 20 0 GEADLO FC(F)(F)COCCn1nnnc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000447351502 650006018 /nfs/dbraw/zinc/00/60/18/650006018.db2.gz ZAFFZMJLHYMBQW-NSHDSACASA-N 1 2 376.408 2.088 20 0 GEADLO FC(F)(F)COCCn1nnnc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000447351502 650006021 /nfs/dbraw/zinc/00/60/21/650006021.db2.gz ZAFFZMJLHYMBQW-NSHDSACASA-N 1 2 376.408 2.088 20 0 GEADLO O=C1C[C@H]([N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)C(=O)N1CC(F)(F)F ZINC000448557821 650016768 /nfs/dbraw/zinc/01/67/68/650016768.db2.gz WJOHODWTKDERDF-OLZOCXBDSA-N 1 2 376.762 2.483 20 0 GEADLO O=C1C[C@H]([N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)C(=O)N1CC(F)(F)F ZINC000448557821 650016769 /nfs/dbraw/zinc/01/67/69/650016769.db2.gz WJOHODWTKDERDF-OLZOCXBDSA-N 1 2 376.762 2.483 20 0 GEADLO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Br)c(F)cc1O ZINC000448908589 650025290 /nfs/dbraw/zinc/02/52/90/650025290.db2.gz GRTXZODYUHMGOM-NSHDSACASA-N 1 2 389.265 2.477 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448916011 650025629 /nfs/dbraw/zinc/02/56/29/650025629.db2.gz XEBWRQMGDZVKAJ-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448916011 650025632 /nfs/dbraw/zinc/02/56/32/650025632.db2.gz XEBWRQMGDZVKAJ-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1csc(C2CC2)n1 ZINC000449757337 650049078 /nfs/dbraw/zinc/04/90/78/650049078.db2.gz SHOAPNUSBGCQTP-UHFFFAOYSA-N 1 2 385.486 2.318 20 0 GEADLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1csc(C2CC2)n1 ZINC000449757337 650049080 /nfs/dbraw/zinc/04/90/80/650049080.db2.gz SHOAPNUSBGCQTP-UHFFFAOYSA-N 1 2 385.486 2.318 20 0 GEADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc2ccc(Br)cc2s1 ZINC000450186508 650061806 /nfs/dbraw/zinc/06/18/06/650061806.db2.gz MEWJMYWKEKEDBP-CYBMUJFWSA-N 1 2 380.311 2.393 20 0 GEADLO CNC(=O)CN1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450223670 650062423 /nfs/dbraw/zinc/06/24/23/650062423.db2.gz OPFYNUJZVAXBQA-UHFFFAOYSA-N 1 2 381.249 2.004 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccsc2Br)[C@@H](C)C1 ZINC000450403707 650064830 /nfs/dbraw/zinc/06/48/30/650064830.db2.gz MPECQZWODMFAEU-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccsc2Br)[C@@H](C)C1 ZINC000450403707 650064833 /nfs/dbraw/zinc/06/48/33/650064833.db2.gz MPECQZWODMFAEU-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)c1ccc(C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)c(Br)c1 ZINC000450889658 650074200 /nfs/dbraw/zinc/07/42/00/650074200.db2.gz DPULUOIHUKKLCB-UHFFFAOYSA-N 1 2 395.257 2.439 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@H]2CCCC2(F)F)C[C@H](C)O1 ZINC000451108257 650087374 /nfs/dbraw/zinc/08/73/74/650087374.db2.gz AHLHHGPPHHDIFH-QXSJWSMHSA-N 1 2 380.501 2.325 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@H]2CCCC2(F)F)C[C@H](C)O1 ZINC000451108257 650087377 /nfs/dbraw/zinc/08/73/77/650087377.db2.gz AHLHHGPPHHDIFH-QXSJWSMHSA-N 1 2 380.501 2.325 20 0 GEADLO CCOC(=O)Cc1cnc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)s1 ZINC000451108588 650087627 /nfs/dbraw/zinc/08/76/27/650087627.db2.gz XBBUXRPPKXMXLX-UHFFFAOYSA-N 1 2 383.495 2.111 20 0 GEADLO O=S(=O)(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1sccc1Cl ZINC000451358082 650106910 /nfs/dbraw/zinc/10/69/10/650106910.db2.gz ZSEXCAOFFWXYJU-KGLIPLIRSA-N 1 2 386.926 2.315 20 0 GEADLO O=S(=O)(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1sccc1Cl ZINC000451358082 650106913 /nfs/dbraw/zinc/10/69/13/650106913.db2.gz ZSEXCAOFFWXYJU-KGLIPLIRSA-N 1 2 386.926 2.315 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000451331266 650104368 /nfs/dbraw/zinc/10/43/68/650104368.db2.gz CRWBGXPMZSDFNU-INIZCTEOSA-N 1 2 382.258 2.337 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000451331266 650104369 /nfs/dbraw/zinc/10/43/69/650104369.db2.gz CRWBGXPMZSDFNU-INIZCTEOSA-N 1 2 382.258 2.337 20 0 GEADLO C[C@@H]1CN(CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@H](C)[N@H+]1CCO ZINC000451655951 650129401 /nfs/dbraw/zinc/12/94/01/650129401.db2.gz UIHACPHHZHCICW-BTELXILVSA-N 1 2 379.353 2.488 20 0 GEADLO C[C@@H]1CN(CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@H](C)[N@@H+]1CCO ZINC000451655951 650129403 /nfs/dbraw/zinc/12/94/03/650129403.db2.gz UIHACPHHZHCICW-BTELXILVSA-N 1 2 379.353 2.488 20 0 GEADLO COC(=O)[C@H]1C[N@H+](Cc2scnc2C)[C@H](C)CN1Cc1scnc1C ZINC000451726555 650136063 /nfs/dbraw/zinc/13/60/63/650136063.db2.gz PAACHYARYGAGAB-BXUZGUMPSA-N 1 2 380.539 2.464 20 0 GEADLO COC(=O)[C@H]1C[N@@H+](Cc2scnc2C)[C@H](C)CN1Cc1scnc1C ZINC000451726555 650136066 /nfs/dbraw/zinc/13/60/66/650136066.db2.gz PAACHYARYGAGAB-BXUZGUMPSA-N 1 2 380.539 2.464 20 0 GEADLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000451990286 650162367 /nfs/dbraw/zinc/16/23/67/650162367.db2.gz JKZVSOKEFIOSCR-ZDUSSCGKSA-N 1 2 398.301 2.456 20 0 GEADLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000451990286 650162368 /nfs/dbraw/zinc/16/23/68/650162368.db2.gz JKZVSOKEFIOSCR-ZDUSSCGKSA-N 1 2 398.301 2.456 20 0 GEADLO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000453726550 650220004 /nfs/dbraw/zinc/22/00/04/650220004.db2.gz XYECTCNTWUTAPD-SNVBAGLBSA-N 1 2 395.232 2.163 20 0 GEADLO Cn1cc(Br)c(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000455374067 650300977 /nfs/dbraw/zinc/30/09/77/650300977.db2.gz LJJKDOGKCCUXTL-LLVKDONJSA-N 1 2 381.278 2.005 20 0 GEADLO Cc1ccc(C[C@H](CO)CNC(=O)CCn2cc[nH+]c2)cc1Br ZINC000456475985 650341789 /nfs/dbraw/zinc/34/17/89/650341789.db2.gz BYZOEEHJJVSCBS-HNNXBMFYSA-N 1 2 380.286 2.312 20 0 GEADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cc(Br)ccc2O)CC1 ZINC000456906796 650366833 /nfs/dbraw/zinc/36/68/33/650366833.db2.gz VKPKFNOSKJBIJR-UHFFFAOYSA-N 1 2 384.318 2.301 20 0 GEADLO CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)CCn1cc[nH+]c1 ZINC000500235032 650373171 /nfs/dbraw/zinc/37/31/71/650373171.db2.gz XQJSFMNMXRHOOW-UHFFFAOYSA-N 1 2 399.314 2.262 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)NCCc1cn(C)c[nH+]1 ZINC000457866630 650387425 /nfs/dbraw/zinc/38/74/25/650387425.db2.gz IIQFOMKBZOAWIU-UHFFFAOYSA-N 1 2 380.242 2.123 20 0 GEADLO COc1ccc(C(=O)NCCc2cn(C)c[nH+]2)c(I)c1 ZINC000457855355 650386843 /nfs/dbraw/zinc/38/68/43/650386843.db2.gz LAXNGADDHAKHDY-UHFFFAOYSA-N 1 2 385.205 2.006 20 0 GEADLO COc1cc(CNC(=O)NCCc2cn(C)c[nH+]2)cc(Br)c1OC ZINC000458140290 650397255 /nfs/dbraw/zinc/39/72/55/650397255.db2.gz MUTZIZLXDZQAOM-UHFFFAOYSA-N 1 2 397.273 2.242 20 0 GEADLO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000501825899 650397773 /nfs/dbraw/zinc/39/77/73/650397773.db2.gz LDWHCDWYFQDGCN-ZDUSSCGKSA-N 1 2 397.235 2.369 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H](C)C[C@H](O)C3)[nH+]c12 ZINC000458670281 650406630 /nfs/dbraw/zinc/40/66/30/650406630.db2.gz QXCVAAFISWKHOZ-NHYWBVRUSA-N 1 2 395.301 2.360 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000459858059 650434019 /nfs/dbraw/zinc/43/40/19/650434019.db2.gz PMHSCIDCZBGISS-CYBMUJFWSA-N 1 2 379.869 2.435 20 0 GEADLO COCCOC1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000505370643 650436870 /nfs/dbraw/zinc/43/68/70/650436870.db2.gz OUTYFESROKVELL-QGZVFWFLSA-N 1 2 397.313 2.460 20 0 GEADLO O=C(NCCc1ccccc1Br)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000460168872 650439785 /nfs/dbraw/zinc/43/97/85/650439785.db2.gz ZJJMSZKQHNOYIV-INIZCTEOSA-N 1 2 396.329 2.498 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H](CO)C3CC3)[nH+]c12 ZINC000460887808 650447195 /nfs/dbraw/zinc/44/71/95/650447195.db2.gz UGKSFEMELLAZIB-CYBMUJFWSA-N 1 2 395.301 2.265 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(Br)cc(C(=O)OC)c2)CCO1 ZINC000462327923 650475385 /nfs/dbraw/zinc/47/53/85/650475385.db2.gz ZKWRYLTWKXAKJY-HNNXBMFYSA-N 1 2 399.285 2.076 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc(C(=O)OC)c2)CCO1 ZINC000462327923 650475390 /nfs/dbraw/zinc/47/53/90/650475390.db2.gz ZKWRYLTWKXAKJY-HNNXBMFYSA-N 1 2 399.285 2.076 20 0 GEADLO C[NH+]1CCN(C(=O)c2cc(NCc3sccc3Br)ccn2)CC1 ZINC000508464975 650481087 /nfs/dbraw/zinc/48/10/87/650481087.db2.gz FVXNZRWHEQYGIL-UHFFFAOYSA-N 1 2 395.326 2.327 20 0 GEADLO C[C@H]1c2cccc(Br)c2CCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000509227498 650490730 /nfs/dbraw/zinc/49/07/30/650490730.db2.gz NJEHMINXUXGQGM-QWHCGFSZSA-N 1 2 382.302 2.408 20 0 GEADLO C[C@H]1c2cccc(Br)c2CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000509227498 650490732 /nfs/dbraw/zinc/49/07/32/650490732.db2.gz NJEHMINXUXGQGM-QWHCGFSZSA-N 1 2 382.302 2.408 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCc1ccc(Cl)cc1Cl ZINC000463354499 650493947 /nfs/dbraw/zinc/49/39/47/650493947.db2.gz OLKDABBLZNSJPG-UHFFFAOYSA-N 1 2 381.325 2.178 20 0 GEADLO O=C(NCC[NH+]1CCCCC1)c1n[nH]c2ccc(I)cc21 ZINC000463387222 650494588 /nfs/dbraw/zinc/49/45/88/650494588.db2.gz ZTTZDUKXHQGJCM-UHFFFAOYSA-N 1 2 398.248 2.383 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000467018094 650500993 /nfs/dbraw/zinc/50/09/93/650500993.db2.gz DHKCSCDCMGNMIG-LBPRGKRZSA-N 1 2 395.301 2.450 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000467018094 650500997 /nfs/dbraw/zinc/50/09/97/650500997.db2.gz DHKCSCDCMGNMIG-LBPRGKRZSA-N 1 2 395.301 2.450 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000510035641 650505392 /nfs/dbraw/zinc/50/53/92/650505392.db2.gz ODMJCVZPMCKVRT-NXEZZACHSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000510035641 650505397 /nfs/dbraw/zinc/50/53/97/650505397.db2.gz ODMJCVZPMCKVRT-NXEZZACHSA-N 1 2 395.308 2.493 20 0 GEADLO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)CCc1[nH]cc[nH+]1 ZINC000510072240 650506046 /nfs/dbraw/zinc/50/60/46/650506046.db2.gz UTMHZQNELFXYLT-UHFFFAOYSA-N 1 2 389.257 2.344 20 0 GEADLO COc1cc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)ccc1F ZINC000469330334 650508982 /nfs/dbraw/zinc/50/89/82/650508982.db2.gz JSENADMRYRCCNP-UHFFFAOYSA-N 1 2 384.498 2.445 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1 ZINC000510518014 650513113 /nfs/dbraw/zinc/51/31/13/650513113.db2.gz NHFBTNGOECDHDF-UHFFFAOYSA-N 1 2 380.491 2.040 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000510518014 650513115 /nfs/dbraw/zinc/51/31/15/650513115.db2.gz NHFBTNGOECDHDF-UHFFFAOYSA-N 1 2 380.491 2.040 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CC([N@H+](C)Cc3ccccc3)C2)s1 ZINC000510554547 650514204 /nfs/dbraw/zinc/51/42/04/650514204.db2.gz RGGNYUCOPNOINE-UHFFFAOYSA-N 1 2 380.491 2.040 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)s1 ZINC000510554547 650514205 /nfs/dbraw/zinc/51/42/05/650514205.db2.gz RGGNYUCOPNOINE-UHFFFAOYSA-N 1 2 380.491 2.040 20 0 GEADLO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCS(=O)(=O)N(C)C ZINC000510775615 650518603 /nfs/dbraw/zinc/51/86/03/650518603.db2.gz DMMLJUSDIPQHOF-CYBMUJFWSA-N 1 2 375.332 2.477 20 0 GEADLO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCS(=O)(=O)N(C)C ZINC000510775615 650518605 /nfs/dbraw/zinc/51/86/05/650518605.db2.gz DMMLJUSDIPQHOF-CYBMUJFWSA-N 1 2 375.332 2.477 20 0 GEADLO CCn1nccc1S(=O)(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000471906880 650518615 /nfs/dbraw/zinc/51/86/15/650518615.db2.gz LQQFEEIRPJEOSQ-UHFFFAOYSA-N 1 2 383.905 2.109 20 0 GEADLO O=S(=O)(c1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1)N1CCOCC1 ZINC000472064368 650519395 /nfs/dbraw/zinc/51/93/95/650519395.db2.gz RVNGXRDNHINBPR-UHFFFAOYSA-N 1 2 387.914 2.107 20 0 GEADLO CN(C(=O)CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000510918371 650521141 /nfs/dbraw/zinc/52/11/41/650521141.db2.gz DODPZYXKNSSJDL-UHFFFAOYSA-N 1 2 381.274 2.362 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)c2c[nH]c3ncc(Br)cc23)CCO1 ZINC000473221464 650524726 /nfs/dbraw/zinc/52/47/26/650524726.db2.gz KGEQGPRLEQECBW-LBPRGKRZSA-N 1 2 381.274 2.166 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)c2c[nH]c3ncc(Br)cc23)CCO1 ZINC000473221464 650524730 /nfs/dbraw/zinc/52/47/30/650524730.db2.gz KGEQGPRLEQECBW-LBPRGKRZSA-N 1 2 381.274 2.166 20 0 GEADLO O=C(c1csc(Br)c1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000473994683 650526730 /nfs/dbraw/zinc/52/67/30/650526730.db2.gz KHMIQCPFCMDDKN-ZDUSSCGKSA-N 1 2 389.315 2.074 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000511256049 650530924 /nfs/dbraw/zinc/53/09/24/650530924.db2.gz CLMJWECTWDKTSX-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000511256049 650530926 /nfs/dbraw/zinc/53/09/26/650530926.db2.gz CLMJWECTWDKTSX-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CCC(CC)(NC(=O)C1C[NH+](Cc2ccc(C)c(Br)c2)C1)C(N)=O ZINC000513253156 650560653 /nfs/dbraw/zinc/56/06/53/650560653.db2.gz UZHVVOGZCPGLDG-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cc(I)ccc2C)CC1 ZINC000477230385 650572430 /nfs/dbraw/zinc/57/24/30/650572430.db2.gz IDGFYTBYQARPAE-UHFFFAOYSA-N 1 2 388.249 2.004 20 0 GEADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@]12CCC(=O)N1CCS2 ZINC000514777199 650578841 /nfs/dbraw/zinc/57/88/41/650578841.db2.gz AZHNLQDHACZVPJ-KRWDZBQOSA-N 1 2 376.869 2.207 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc([S@](=O)Cc2ccc(C)[nH+]c2C)nc1 ZINC000477856732 650580163 /nfs/dbraw/zinc/58/01/63/650580163.db2.gz RHSULBHGPQGUFI-XMMPIXPASA-N 1 2 381.523 2.432 20 0 GEADLO Cc1ccc(Br)cc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478878461 650592418 /nfs/dbraw/zinc/59/24/18/650592418.db2.gz ZMOMYZWKAVYGDZ-MRXNPFEDSA-N 1 2 397.313 2.321 20 0 GEADLO Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c(Br)c1 ZINC000478895095 650592753 /nfs/dbraw/zinc/59/27/53/650592753.db2.gz LCPAWDLEZLYONM-HNNXBMFYSA-N 1 2 397.313 2.321 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000518184789 650602520 /nfs/dbraw/zinc/60/25/20/650602520.db2.gz GGQATNXROUAXRK-JTQLQIEISA-N 1 2 389.649 2.330 20 0 GEADLO C[C@@]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)(C(N)=O)c1cccc(Cl)c1 ZINC000518685424 650606523 /nfs/dbraw/zinc/60/65/23/650606523.db2.gz KWKCUAXFZSOXDW-DOMZBBRYSA-N 1 2 377.794 2.183 20 0 GEADLO Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)CC[NH+](C)C)cc1 ZINC000480087640 650615590 /nfs/dbraw/zinc/61/55/90/650615590.db2.gz HHHSKVWJKUPWQT-UHFFFAOYSA-N 1 2 381.523 2.491 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c2cc(Br)ccc21 ZINC000480192727 650617491 /nfs/dbraw/zinc/61/74/91/650617491.db2.gz FTLXMJRAPBPQPK-KOLCDFICSA-N 1 2 388.205 2.180 20 0 GEADLO C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCS1(=O)=O ZINC000521742065 650619543 /nfs/dbraw/zinc/61/95/43/650619543.db2.gz KPWLLUSOVIQTQO-CZUORRHYSA-N 1 2 387.933 2.161 20 0 GEADLO CCOC(=O)CCCS(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000522570620 650626163 /nfs/dbraw/zinc/62/61/63/650626163.db2.gz BFAXAEAKAGCNGD-OAHLLOKOSA-N 1 2 376.906 2.205 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000480798209 650632945 /nfs/dbraw/zinc/63/29/45/650632945.db2.gz YEYNVZBOMQRZDX-CQSZACIVSA-N 1 2 388.917 2.294 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000480798209 650632946 /nfs/dbraw/zinc/63/29/46/650632946.db2.gz YEYNVZBOMQRZDX-CQSZACIVSA-N 1 2 388.917 2.294 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CSC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524399368 650640907 /nfs/dbraw/zinc/64/09/07/650640907.db2.gz UGVLJFUKLZCHBH-HNNXBMFYSA-N 1 2 376.869 2.135 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000481351549 650644910 /nfs/dbraw/zinc/64/49/10/650644910.db2.gz GHYUIFRPZZUPDZ-GFCCVEGCSA-N 1 2 394.273 2.362 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000481433143 650646531 /nfs/dbraw/zinc/64/65/31/650646531.db2.gz IBWBXPACXRCSRW-GFCCVEGCSA-N 1 2 380.286 2.310 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000481433143 650646533 /nfs/dbraw/zinc/64/65/33/650646533.db2.gz IBWBXPACXRCSRW-GFCCVEGCSA-N 1 2 380.286 2.310 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000481597836 650650382 /nfs/dbraw/zinc/65/03/82/650650382.db2.gz UHXJBHCUYXBYBA-UHFFFAOYSA-N 1 2 390.908 2.309 20 0 GEADLO C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(Cc2sccc2Br)C1 ZINC000481788337 650653637 /nfs/dbraw/zinc/65/36/37/650653637.db2.gz ATWWQUUKECLONW-LLVKDONJSA-N 1 2 398.330 2.295 20 0 GEADLO C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(Cc2sccc2Br)C1 ZINC000481788337 650653640 /nfs/dbraw/zinc/65/36/40/650653640.db2.gz ATWWQUUKECLONW-LLVKDONJSA-N 1 2 398.330 2.295 20 0 GEADLO CN(Cc1cc(=O)[nH]c(N)n1)[C@@H]1CC[N@H+](Cc2sccc2Br)C1 ZINC000481788337 650653642 /nfs/dbraw/zinc/65/36/42/650653642.db2.gz ATWWQUUKECLONW-LLVKDONJSA-N 1 2 398.330 2.295 20 0 GEADLO CN(Cc1cc(=O)[nH]c(N)n1)[C@@H]1CC[N@@H+](Cc2sccc2Br)C1 ZINC000481788337 650653646 /nfs/dbraw/zinc/65/36/46/650653646.db2.gz ATWWQUUKECLONW-LLVKDONJSA-N 1 2 398.330 2.295 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cn1 ZINC000481884421 650655663 /nfs/dbraw/zinc/65/56/63/650655663.db2.gz VNAJIDKSYLRHEK-UHFFFAOYSA-N 1 2 383.857 2.384 20 0 GEADLO CC[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482003035 650658068 /nfs/dbraw/zinc/65/80/68/650658068.db2.gz RMJNVCKOGGIAPB-AWEZNQCLSA-N 1 2 385.873 2.181 20 0 GEADLO CC[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482003036 650658086 /nfs/dbraw/zinc/65/80/86/650658086.db2.gz RMJNVCKOGGIAPB-CQSZACIVSA-N 1 2 385.873 2.181 20 0 GEADLO CCn1nncc1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000527918646 650683115 /nfs/dbraw/zinc/68/31/15/650683115.db2.gz CIBRJZPONQJEDO-CYBMUJFWSA-N 1 2 385.287 2.069 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000528300972 650687782 /nfs/dbraw/zinc/68/77/82/650687782.db2.gz HSWJLZXRAATNRB-SNVBAGLBSA-N 1 2 379.360 2.157 20 0 GEADLO O=C(NC[C@@H]1CCOC1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000485222938 650694531 /nfs/dbraw/zinc/69/45/31/650694531.db2.gz ZTEZZDPKMGFIBE-ZDUSSCGKSA-N 1 2 397.273 2.487 20 0 GEADLO Cc1cc(Br)ccc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529749656 650706205 /nfs/dbraw/zinc/70/62/05/650706205.db2.gz BBYZDDOCBCRLFW-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1cc(Br)ccc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529749656 650706206 /nfs/dbraw/zinc/70/62/06/650706206.db2.gz BBYZDDOCBCRLFW-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1c(Br)cccc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529755084 650706766 /nfs/dbraw/zinc/70/67/66/650706766.db2.gz YLNPRHVMHVYKAK-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1c(Br)cccc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529755084 650706768 /nfs/dbraw/zinc/70/67/68/650706768.db2.gz YLNPRHVMHVYKAK-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO COCCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486579288 650716378 /nfs/dbraw/zinc/71/63/78/650716378.db2.gz SKDPQWXPVDLVKJ-SJORKVTESA-N 1 2 376.469 2.445 20 0 GEADLO COCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486579288 650716379 /nfs/dbraw/zinc/71/63/79/650716379.db2.gz SKDPQWXPVDLVKJ-SJORKVTESA-N 1 2 376.469 2.445 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000486645904 650717770 /nfs/dbraw/zinc/71/77/70/650717770.db2.gz NLJAIGFZLJQBJY-ZDUSSCGKSA-N 1 2 391.331 2.418 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000486645904 650717773 /nfs/dbraw/zinc/71/77/73/650717773.db2.gz NLJAIGFZLJQBJY-ZDUSSCGKSA-N 1 2 391.331 2.418 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2c[nH]c3cc(Br)ccc23)CCO1 ZINC000531699277 650743002 /nfs/dbraw/zinc/74/30/02/650743002.db2.gz SFNZMLVFEOLKCD-GFCCVEGCSA-N 1 2 380.286 2.310 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2c[nH]c3cc(Br)ccc23)CCO1 ZINC000531699277 650743004 /nfs/dbraw/zinc/74/30/04/650743004.db2.gz SFNZMLVFEOLKCD-GFCCVEGCSA-N 1 2 380.286 2.310 20 0 GEADLO CN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1Br ZINC000016388448 642388642 /nfs/dbraw/zinc/38/86/42/642388642.db2.gz OGBJGBUVFINGED-UHFFFAOYSA-N 1 2 398.345 2.108 20 0 GEADLO CC(=O)[C@H](NC(=O)C[N@H+](C)CCOc1ccc(Br)cc1)C(C)C ZINC000532465585 650748078 /nfs/dbraw/zinc/74/80/78/650748078.db2.gz PBQLAIAYQASREM-QGZVFWFLSA-N 1 2 385.302 2.490 20 0 GEADLO CC(=O)[C@H](NC(=O)C[N@@H+](C)CCOc1ccc(Br)cc1)C(C)C ZINC000532465585 650748080 /nfs/dbraw/zinc/74/80/80/650748080.db2.gz PBQLAIAYQASREM-QGZVFWFLSA-N 1 2 385.302 2.490 20 0 GEADLO CO[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C[C@@H]1OC ZINC000489201971 650755808 /nfs/dbraw/zinc/75/58/08/650755808.db2.gz MXTSSALAGKRWQC-BBWFWOEESA-N 1 2 397.313 2.458 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000031560114 642485916 /nfs/dbraw/zinc/48/59/16/642485916.db2.gz LPPGTEPQNXPFCE-MRXNPFEDSA-N 1 2 376.469 2.380 20 0 GEADLO C[C@H](Oc1ccccc1Cl)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031936178 642492292 /nfs/dbraw/zinc/49/22/92/642492292.db2.gz PHZXXVJUDKHMRP-KSSFIOAISA-N 1 2 384.929 2.431 20 0 GEADLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000533799050 650765635 /nfs/dbraw/zinc/76/56/35/650765635.db2.gz WKHKOGGRMVEGLF-ISVAXAHUSA-N 1 2 395.269 2.488 20 0 GEADLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000533799050 650765637 /nfs/dbraw/zinc/76/56/37/650765637.db2.gz WKHKOGGRMVEGLF-ISVAXAHUSA-N 1 2 395.269 2.488 20 0 GEADLO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000041993008 642537825 /nfs/dbraw/zinc/53/78/25/642537825.db2.gz YSWXXHMVYALTHI-LBPRGKRZSA-N 1 2 379.258 2.406 20 0 GEADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)Cc1ccc(Br)s1 ZINC000042385661 642552353 /nfs/dbraw/zinc/55/23/53/642552353.db2.gz NNIJXXCEODEEHD-QWRGUYRKSA-N 1 2 388.331 2.055 20 0 GEADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000042385661 642552359 /nfs/dbraw/zinc/55/23/59/642552359.db2.gz NNIJXXCEODEEHD-QWRGUYRKSA-N 1 2 388.331 2.055 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000533917297 650766985 /nfs/dbraw/zinc/76/69/85/650766985.db2.gz WDXDGGCGJYYZCV-CZUORRHYSA-N 1 2 380.491 2.258 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000533917297 650766989 /nfs/dbraw/zinc/76/69/89/650766989.db2.gz WDXDGGCGJYYZCV-CZUORRHYSA-N 1 2 380.491 2.258 20 0 GEADLO Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](C)[NH+]2CCSCC2)cc1 ZINC000533547808 650761900 /nfs/dbraw/zinc/76/19/00/650761900.db2.gz CWCRFCUXNDIZEP-HOCLYGCPSA-N 1 2 379.551 2.272 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCCOc1cccc(Br)c1 ZINC000046886646 642618324 /nfs/dbraw/zinc/61/83/24/642618324.db2.gz WNHCWXLLGOPQMC-AWEZNQCLSA-N 1 2 385.302 2.445 20 0 GEADLO Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000048598725 642655965 /nfs/dbraw/zinc/65/59/65/642655965.db2.gz TYTYVKLUQFEZEE-UHFFFAOYSA-N 1 2 379.258 2.407 20 0 GEADLO CC[N@H+](CCC(=O)OC)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000050054472 642675838 /nfs/dbraw/zinc/67/58/38/642675838.db2.gz QNCXGNVRPAHQMA-UHFFFAOYSA-N 1 2 378.288 2.108 20 0 GEADLO CC[N@@H+](CCC(=O)OC)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000050054472 642675847 /nfs/dbraw/zinc/67/58/47/642675847.db2.gz QNCXGNVRPAHQMA-UHFFFAOYSA-N 1 2 378.288 2.108 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2cc(Br)cs2)C1 ZINC000051201426 642692269 /nfs/dbraw/zinc/69/22/69/642692269.db2.gz LCFRXNPWLOQVEM-NSHDSACASA-N 1 2 389.315 2.402 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2cc(Br)cs2)C1 ZINC000051201426 642692277 /nfs/dbraw/zinc/69/22/77/642692277.db2.gz LCFRXNPWLOQVEM-NSHDSACASA-N 1 2 389.315 2.402 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000052691943 642725328 /nfs/dbraw/zinc/72/53/28/642725328.db2.gz MTFWKFACGXNQJT-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000052691943 642725332 /nfs/dbraw/zinc/72/53/32/642725332.db2.gz MTFWKFACGXNQJT-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000052750021 642726851 /nfs/dbraw/zinc/72/68/51/642726851.db2.gz WBWZOYPGUAASOS-LLVKDONJSA-N 1 2 397.248 2.110 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000054817190 642761200 /nfs/dbraw/zinc/76/12/00/642761200.db2.gz NUFWEPOKCYORFY-WFASDCNBSA-N 1 2 398.301 2.293 20 0 GEADLO Cc1cc(I)cnc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000491093628 650783129 /nfs/dbraw/zinc/78/31/29/650783129.db2.gz QRALDGOUBWXWOQ-SNVBAGLBSA-N 1 2 382.205 2.392 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(NCC(F)(F)F)s2)CC1 ZINC000057773344 642817041 /nfs/dbraw/zinc/81/70/41/642817041.db2.gz OGAFHWQSUFQUAA-SECBINFHSA-N 1 2 383.465 2.157 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000057873774 642819577 /nfs/dbraw/zinc/81/95/77/642819577.db2.gz AOVIMENBMBIWAV-UHFFFAOYSA-N 1 2 383.905 2.066 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000059323131 642831520 /nfs/dbraw/zinc/83/15/20/642831520.db2.gz CKNOGYNFPQJROD-HIFRSBDPSA-N 1 2 381.464 2.178 20 0 GEADLO COC(=O)C1CCN(C(=O)C[N@H+](C)Cc2csc(Br)c2)CC1 ZINC000060040779 642832720 /nfs/dbraw/zinc/83/27/20/642832720.db2.gz UVUNYGQMBHBZGA-UHFFFAOYSA-N 1 2 389.315 2.354 20 0 GEADLO COC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2csc(Br)c2)CC1 ZINC000060040779 642832723 /nfs/dbraw/zinc/83/27/23/642832723.db2.gz UVUNYGQMBHBZGA-UHFFFAOYSA-N 1 2 389.315 2.354 20 0 GEADLO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000536004336 650793958 /nfs/dbraw/zinc/79/39/58/650793958.db2.gz RXCWFMNOUZAVMW-VIFPVBQESA-N 1 2 383.258 2.347 20 0 GEADLO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000536004336 650793961 /nfs/dbraw/zinc/79/39/61/650793961.db2.gz RXCWFMNOUZAVMW-VIFPVBQESA-N 1 2 383.258 2.347 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494244886 650802751 /nfs/dbraw/zinc/80/27/51/650802751.db2.gz MIRGOEOOBHKVKE-UHFFFAOYSA-N 1 2 375.238 2.042 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494244886 650802753 /nfs/dbraw/zinc/80/27/53/650802753.db2.gz MIRGOEOOBHKVKE-UHFFFAOYSA-N 1 2 375.238 2.042 20 0 GEADLO CCNC(=O)NC(=O)[C@H](C)[N@H+](CCOC)Cc1ccc(Br)s1 ZINC000494274672 650803372 /nfs/dbraw/zinc/80/33/72/650803372.db2.gz RYVMHSDEYGMANU-JTQLQIEISA-N 1 2 392.319 2.193 20 0 GEADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCOC)Cc1ccc(Br)s1 ZINC000494274672 650803374 /nfs/dbraw/zinc/80/33/74/650803374.db2.gz RYVMHSDEYGMANU-JTQLQIEISA-N 1 2 392.319 2.193 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000068507007 643003885 /nfs/dbraw/zinc/00/38/85/643003885.db2.gz YXJSNDUUGGTBCH-SJORKVTESA-N 1 2 384.929 2.069 20 0 GEADLO Cc1ccc(SCCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000068508134 643004475 /nfs/dbraw/zinc/00/44/75/643004475.db2.gz CAMODNLFKFWVFD-UHFFFAOYSA-N 1 2 384.567 2.102 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccsc2)CC1 ZINC000069150096 643021631 /nfs/dbraw/zinc/02/16/31/643021631.db2.gz CEJZSVJXPTUQDS-MRXNPFEDSA-N 1 2 385.555 2.104 20 0 GEADLO CCCCC(=O)N1CSC[C@H]1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000074128617 643063215 /nfs/dbraw/zinc/06/32/15/643063215.db2.gz XIFQTGUXIRVDEE-AWEZNQCLSA-N 1 2 377.501 2.266 20 0 GEADLO CCCCC(=O)N1CSC[C@H]1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000074128617 643063217 /nfs/dbraw/zinc/06/32/17/643063217.db2.gz XIFQTGUXIRVDEE-AWEZNQCLSA-N 1 2 377.501 2.266 20 0 GEADLO NC(=O)c1c(F)cc(Br)cc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000092827546 643073151 /nfs/dbraw/zinc/07/31/51/643073151.db2.gz LUMYTSMAHJJAAI-UHFFFAOYSA-N 1 2 393.260 2.404 20 0 GEADLO CCOc1c(Br)cc(C[N@H+](CCOC)[C@H](C)C(N)=O)cc1OC ZINC000093137423 643075537 /nfs/dbraw/zinc/07/55/37/643075537.db2.gz IMHFQPGKJGMECZ-LLVKDONJSA-N 1 2 389.290 2.179 20 0 GEADLO CCOc1c(Br)cc(C[N@@H+](CCOC)[C@H](C)C(N)=O)cc1OC ZINC000093137423 643075538 /nfs/dbraw/zinc/07/55/38/643075538.db2.gz IMHFQPGKJGMECZ-LLVKDONJSA-N 1 2 389.290 2.179 20 0 GEADLO O=C(C[NH+]1CCN(CCOc2ccccc2Br)CC1)N1CCCC1 ZINC000093291483 643075707 /nfs/dbraw/zinc/07/57/07/643075707.db2.gz VJWJPZXXHVLJSH-UHFFFAOYSA-N 1 2 396.329 2.068 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(Br)s2)CCO1 ZINC000494705806 650814459 /nfs/dbraw/zinc/81/44/59/650814459.db2.gz BWKACRBLZLLXPC-LLVKDONJSA-N 1 2 376.320 2.421 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(Br)s2)CCO1 ZINC000494705806 650814460 /nfs/dbraw/zinc/81/44/60/650814460.db2.gz BWKACRBLZLLXPC-LLVKDONJSA-N 1 2 376.320 2.421 20 0 GEADLO CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000101913708 643118204 /nfs/dbraw/zinc/11/82/04/643118204.db2.gz WTHKFVJQHXMROF-CYBMUJFWSA-N 1 2 397.317 2.411 20 0 GEADLO CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000101913708 643118210 /nfs/dbraw/zinc/11/82/10/643118210.db2.gz WTHKFVJQHXMROF-CYBMUJFWSA-N 1 2 397.317 2.411 20 0 GEADLO CCCCC(=O)N1CSC[C@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000102749773 643135293 /nfs/dbraw/zinc/13/52/93/643135293.db2.gz AHWJQCKODZTCRD-INIZCTEOSA-N 1 2 381.567 2.484 20 0 GEADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000104671914 643187144 /nfs/dbraw/zinc/18/71/44/643187144.db2.gz WFCRVTJVTFCVAN-OAHLLOKOSA-N 1 2 382.302 2.008 20 0 GEADLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000104671914 643187151 /nfs/dbraw/zinc/18/71/51/643187151.db2.gz WFCRVTJVTFCVAN-OAHLLOKOSA-N 1 2 382.302 2.008 20 0 GEADLO CS(=O)(=O)c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000105401170 643205378 /nfs/dbraw/zinc/20/53/78/643205378.db2.gz PEEIBKQCHWQAPO-HNNXBMFYSA-N 1 2 397.294 2.169 20 0 GEADLO CN(Cc1ccccc1)C(=O)C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000105401537 643205397 /nfs/dbraw/zinc/20/53/97/643205397.db2.gz OWGNHBVUYCYORX-KRWDZBQOSA-N 1 2 390.281 2.224 20 0 GEADLO NC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000105402083 643206079 /nfs/dbraw/zinc/20/60/79/643206079.db2.gz LCHODSBBWAUCSB-HNNXBMFYSA-N 1 2 380.217 2.343 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1Cl ZINC000537746466 650822877 /nfs/dbraw/zinc/82/28/77/650822877.db2.gz CXLDKDJOVRMACO-UWVGGRQHSA-N 1 2 377.869 2.151 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1Cl ZINC000537746466 650822879 /nfs/dbraw/zinc/82/28/79/650822879.db2.gz CXLDKDJOVRMACO-UWVGGRQHSA-N 1 2 377.869 2.151 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CSCN3C(=O)CC(C)(C)C)sc2C1 ZINC000106361191 643228517 /nfs/dbraw/zinc/22/85/17/643228517.db2.gz DOBSRAAXSMTINO-LBPRGKRZSA-N 1 2 382.555 2.407 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CSCN3C(=O)CC(C)(C)C)sc2C1 ZINC000106361191 643228518 /nfs/dbraw/zinc/22/85/18/643228518.db2.gz DOBSRAAXSMTINO-LBPRGKRZSA-N 1 2 382.555 2.407 20 0 GEADLO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000495206494 650823839 /nfs/dbraw/zinc/82/38/39/650823839.db2.gz YUBHBGMXUWYWTM-SJCJKPOMSA-N 1 2 388.917 2.165 20 0 GEADLO C[C@H]1CC[C@](CO)([N@@H+](C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000495206494 650823841 /nfs/dbraw/zinc/82/38/41/650823841.db2.gz YUBHBGMXUWYWTM-SJCJKPOMSA-N 1 2 388.917 2.165 20 0 GEADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 ZINC000106876129 643242439 /nfs/dbraw/zinc/24/24/39/643242439.db2.gz GWEYVNWYGCRYRD-LLVKDONJSA-N 1 2 382.511 2.039 20 0 GEADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 ZINC000106876129 643242444 /nfs/dbraw/zinc/24/24/44/643242444.db2.gz GWEYVNWYGCRYRD-LLVKDONJSA-N 1 2 382.511 2.039 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000106926751 643246370 /nfs/dbraw/zinc/24/63/70/643246370.db2.gz ZOIRPYWTWPOBEN-UHFFFAOYSA-N 1 2 393.285 2.039 20 0 GEADLO COCc1c(Br)cccc1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106945193 643247124 /nfs/dbraw/zinc/24/71/24/643247124.db2.gz QOPBARCCUWAGRQ-ZDUSSCGKSA-N 1 2 399.333 2.353 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000107301297 643253020 /nfs/dbraw/zinc/25/30/20/643253020.db2.gz DTCBVFJXTPHEAD-SNVBAGLBSA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000107301297 643253025 /nfs/dbraw/zinc/25/30/25/643253025.db2.gz DTCBVFJXTPHEAD-SNVBAGLBSA-N 1 2 396.738 2.108 20 0 GEADLO O=S(=O)(c1cccc(F)c1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000108852540 643283803 /nfs/dbraw/zinc/28/38/03/643283803.db2.gz XSRUVSSPCRBLTR-UHFFFAOYSA-N 1 2 384.395 2.101 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2csc(I)c2)CC1 ZINC000110923447 643322551 /nfs/dbraw/zinc/32/25/51/643322551.db2.gz VVLGATBDWZVRME-UHFFFAOYSA-N 1 2 394.278 2.147 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000110921261 643322677 /nfs/dbraw/zinc/32/26/77/643322677.db2.gz NLGKHZZWTYXAIR-AWEZNQCLSA-N 1 2 385.302 2.397 20 0 GEADLO CCc1nc([C@H](C)NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cs1 ZINC000111475431 643340610 /nfs/dbraw/zinc/34/06/10/643340610.db2.gz LTXFVITYEDWCGB-SUMWQHHRSA-N 1 2 384.571 2.274 20 0 GEADLO CCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H](C)CS(C)(=O)=O ZINC000112740514 643372145 /nfs/dbraw/zinc/37/21/45/643372145.db2.gz RITKYEWJXYPVNW-GJZGRUSLSA-N 1 2 387.571 2.350 20 0 GEADLO O=C(NCc1ccsc1Br)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000497330312 650834476 /nfs/dbraw/zinc/83/44/76/650834476.db2.gz XWFYUOQBRITZDE-UHFFFAOYSA-N 1 2 397.298 2.256 20 0 GEADLO O=C(NCc1ccsc1Br)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000497330312 650834477 /nfs/dbraw/zinc/83/44/77/650834477.db2.gz XWFYUOQBRITZDE-UHFFFAOYSA-N 1 2 397.298 2.256 20 0 GEADLO CS(=O)(=O)NCC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000113329244 643395091 /nfs/dbraw/zinc/39/50/91/643395091.db2.gz HQIRKRCKKLLNPY-UHFFFAOYSA-N 1 2 375.903 2.014 20 0 GEADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(I)c[nH]1 ZINC000115333804 643435678 /nfs/dbraw/zinc/43/56/78/643435678.db2.gz PXCAZUJOGSKPKC-UHFFFAOYSA-N 1 2 396.232 2.413 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CC[NH+](C3CCC(C)CC3)CC2)s1 ZINC000115591564 643443228 /nfs/dbraw/zinc/44/32/28/643443228.db2.gz UKIPCVHHCGFTGV-UHFFFAOYSA-N 1 2 386.539 2.420 20 0 GEADLO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Cl ZINC000117361641 643488200 /nfs/dbraw/zinc/48/82/00/643488200.db2.gz RHICMNLJUVOZLI-ZNMIVQPWSA-N 1 2 387.933 2.306 20 0 GEADLO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Cl ZINC000117361641 643488203 /nfs/dbraw/zinc/48/82/03/643488203.db2.gz RHICMNLJUVOZLI-ZNMIVQPWSA-N 1 2 387.933 2.306 20 0 GEADLO CCN(C)S(=O)(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000497987393 650844666 /nfs/dbraw/zinc/84/46/66/650844666.db2.gz WTWNVRXIPWKSTC-UHFFFAOYSA-N 1 2 380.341 2.350 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000497998311 650845082 /nfs/dbraw/zinc/84/50/82/650845082.db2.gz ICMXWHUEJKXEBD-UHFFFAOYSA-N 1 2 386.539 2.421 20 0 GEADLO CC[C@@]1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC[NH2+]C1 ZINC000119557305 643557019 /nfs/dbraw/zinc/55/70/19/643557019.db2.gz DXHJXAUSGNPOMN-MRXNPFEDSA-N 1 2 380.495 2.272 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000119690113 643566202 /nfs/dbraw/zinc/56/62/02/643566202.db2.gz LEBNQZNZTNBMDI-BBRMVZONSA-N 1 2 378.519 2.402 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000119690113 643566209 /nfs/dbraw/zinc/56/62/09/643566209.db2.gz LEBNQZNZTNBMDI-BBRMVZONSA-N 1 2 378.519 2.402 20 0 GEADLO C[NH+](C)C1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCC1 ZINC000120137367 643594562 /nfs/dbraw/zinc/59/45/62/643594562.db2.gz UKYWHDWFFRNBPK-UHFFFAOYSA-N 1 2 380.495 2.367 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1cc(Cl)ccc1Br ZINC000120377332 643602483 /nfs/dbraw/zinc/60/24/83/643602483.db2.gz QHYQVLCBBGNUBQ-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC000122771312 643661059 /nfs/dbraw/zinc/66/10/59/643661059.db2.gz GMHRGQBNKFGFOF-UHFFFAOYSA-N 1 2 382.873 2.270 20 0 GEADLO CC(=O)CC[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000122992644 643663474 /nfs/dbraw/zinc/66/34/74/643663474.db2.gz WAJXHCQBKATFOL-UHFFFAOYSA-N 1 2 386.233 2.028 20 0 GEADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000126362969 643729607 /nfs/dbraw/zinc/72/96/07/643729607.db2.gz QSBFAWBKKFHRIJ-SMDDFHAHSA-N 1 2 375.332 2.325 20 0 GEADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000126362969 643729613 /nfs/dbraw/zinc/72/96/13/643729613.db2.gz QSBFAWBKKFHRIJ-SMDDFHAHSA-N 1 2 375.332 2.325 20 0 GEADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000126377392 643730902 /nfs/dbraw/zinc/73/09/02/643730902.db2.gz CDJWVELBUCXMEY-XUSGNXJCSA-N 1 2 375.332 2.106 20 0 GEADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000126377392 643730907 /nfs/dbraw/zinc/73/09/07/643730907.db2.gz CDJWVELBUCXMEY-XUSGNXJCSA-N 1 2 375.332 2.106 20 0 GEADLO Cc1nc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 ZINC000126630790 643738938 /nfs/dbraw/zinc/73/89/38/643738938.db2.gz RZZVZQRTZDBXCK-CYBMUJFWSA-N 1 2 381.523 2.323 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)CSc2nncs2)c2ccc(Cl)cc2)C1 ZINC000126728705 643744133 /nfs/dbraw/zinc/74/41/33/643744133.db2.gz PUMDLXHKNQQIHA-UKRRQHHQSA-N 1 2 398.941 2.472 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)CSc2nncs2)c2ccc(Cl)cc2)C1 ZINC000126728705 643744136 /nfs/dbraw/zinc/74/41/36/643744136.db2.gz PUMDLXHKNQQIHA-UKRRQHHQSA-N 1 2 398.941 2.472 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)c(F)c1 ZINC000127807806 643786369 /nfs/dbraw/zinc/78/63/69/643786369.db2.gz RHTXFGUMAJZHEC-UHFFFAOYSA-N 1 2 385.848 2.197 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)c(F)c1 ZINC000127807806 643786371 /nfs/dbraw/zinc/78/63/71/643786371.db2.gz RHTXFGUMAJZHEC-UHFFFAOYSA-N 1 2 385.848 2.197 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000499089852 650873587 /nfs/dbraw/zinc/87/35/87/650873587.db2.gz DEMUHDCNAAEROL-UONOGXRCSA-N 1 2 387.933 2.238 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000499089852 650873588 /nfs/dbraw/zinc/87/35/88/650873588.db2.gz DEMUHDCNAAEROL-UONOGXRCSA-N 1 2 387.933 2.238 20 0 GEADLO CSC[C@H]1CCCN1CCS(=O)(=O)CC[N@@H+]1CCC[C@H]1CSC ZINC000135460953 643914958 /nfs/dbraw/zinc/91/49/58/643914958.db2.gz UHFMSGBKOXYUQL-IYBDPMFKSA-N 1 2 380.645 2.056 20 0 GEADLO CSC[C@H]1CCCN1CCS(=O)(=O)CC[N@H+]1CCC[C@H]1CSC ZINC000135460953 643914966 /nfs/dbraw/zinc/91/49/66/643914966.db2.gz UHFMSGBKOXYUQL-IYBDPMFKSA-N 1 2 380.645 2.056 20 0 GEADLO CSC[C@H]1CCC[N@H+]1CCS(=O)(=O)CCN1CCC[C@H]1CSC ZINC000135460953 643914969 /nfs/dbraw/zinc/91/49/69/643914969.db2.gz UHFMSGBKOXYUQL-IYBDPMFKSA-N 1 2 380.645 2.056 20 0 GEADLO CSC[C@H]1CCC[N@@H+]1CCS(=O)(=O)CCN1CCC[C@H]1CSC ZINC000135460953 643914979 /nfs/dbraw/zinc/91/49/79/643914979.db2.gz UHFMSGBKOXYUQL-IYBDPMFKSA-N 1 2 380.645 2.056 20 0 GEADLO COC(=O)c1cn(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)nn1 ZINC000151559664 643945527 /nfs/dbraw/zinc/94/55/27/643945527.db2.gz HWRCJWVITWLVMK-VIFPVBQESA-N 1 2 375.376 2.377 20 0 GEADLO COC(=O)c1cn(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)nn1 ZINC000151559664 643945530 /nfs/dbraw/zinc/94/55/30/643945530.db2.gz HWRCJWVITWLVMK-VIFPVBQESA-N 1 2 375.376 2.377 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@H+](C[C@H](O)c1ccccc1Br)C1CC1 ZINC000153685244 644000831 /nfs/dbraw/zinc/00/08/31/644000831.db2.gz UQKKPZHUOAMXEX-NHYWBVRUSA-N 1 2 376.316 2.380 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C[C@H](O)c1ccccc1Br)C1CC1 ZINC000153685244 644000834 /nfs/dbraw/zinc/00/08/34/644000834.db2.gz UQKKPZHUOAMXEX-NHYWBVRUSA-N 1 2 376.316 2.380 20 0 GEADLO C[C@H]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000154433827 644041564 /nfs/dbraw/zinc/04/15/64/644041564.db2.gz JIYHWBXQFSNBEV-SMDDNHRTSA-N 1 2 392.257 2.089 20 0 GEADLO O=S(=O)(CCCCCl)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000154745194 644059826 /nfs/dbraw/zinc/05/98/26/644059826.db2.gz IJMMBJMGQFOKLB-UHFFFAOYSA-N 1 2 394.368 2.400 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000155761453 644079705 /nfs/dbraw/zinc/07/97/05/644079705.db2.gz LZJNNYRKPZVLPV-LBPRGKRZSA-N 1 2 391.269 2.271 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155761346 644079752 /nfs/dbraw/zinc/07/97/52/644079752.db2.gz LZJNNYRKPZVLPV-GFCCVEGCSA-N 1 2 391.269 2.271 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(Br)o2)c(N(C)C)[nH+]1 ZINC000156327224 644088746 /nfs/dbraw/zinc/08/87/46/644088746.db2.gz HTAFSDVOVLVDHU-UHFFFAOYSA-N 1 2 395.257 2.409 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)ccc1Cl ZINC000156787272 644117946 /nfs/dbraw/zinc/11/79/46/644117946.db2.gz YHCPGMAXXLXPIT-CQSZACIVSA-N 1 2 386.857 2.301 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000158677886 644155079 /nfs/dbraw/zinc/15/50/79/644155079.db2.gz AVUDSXSSTMQMNM-CYBMUJFWSA-N 1 2 386.857 2.301 20 0 GEADLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000160820732 644205780 /nfs/dbraw/zinc/20/57/80/644205780.db2.gz JKRZDMBIHUHIOI-UHFFFAOYSA-N 1 2 398.472 2.376 20 0 GEADLO CN(CC(C)(C)S(C)(=O)=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000162496705 644237343 /nfs/dbraw/zinc/23/73/43/644237343.db2.gz RSXALKXCQZJJPG-CQSZACIVSA-N 1 2 387.571 2.350 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000170660601 644284881 /nfs/dbraw/zinc/28/48/81/644284881.db2.gz ANAZESUUMFDQNZ-LLVKDONJSA-N 1 2 382.313 2.024 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000170660601 644284889 /nfs/dbraw/zinc/28/48/89/644284889.db2.gz ANAZESUUMFDQNZ-LLVKDONJSA-N 1 2 382.313 2.024 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCc1ccc(Br)s1 ZINC000171098537 644308609 /nfs/dbraw/zinc/30/86/09/644308609.db2.gz CGWLLNNYYBIEGG-UHFFFAOYSA-N 1 2 390.347 2.463 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCc1ccc(Br)s1 ZINC000171098537 644308614 /nfs/dbraw/zinc/30/86/14/644308614.db2.gz CGWLLNNYYBIEGG-UHFFFAOYSA-N 1 2 390.347 2.463 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1cc(F)cc(Br)c1 ZINC000171104311 644309844 /nfs/dbraw/zinc/30/98/44/644309844.db2.gz XPGHLELBGJHWDR-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1cc(F)cc(Br)c1 ZINC000171104311 644309847 /nfs/dbraw/zinc/30/98/47/644309847.db2.gz XPGHLELBGJHWDR-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO C[C@@H](NC(=O)NCCc1ccc(Br)s1)[C@@H](C)[NH+]1CCOCC1 ZINC000171603457 644329701 /nfs/dbraw/zinc/32/97/01/644329701.db2.gz TXZBBWHKUYIVKF-VXGBXAGGSA-N 1 2 390.347 2.462 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)cc1Cl ZINC000178813199 644440649 /nfs/dbraw/zinc/44/06/49/644440649.db2.gz APMIYHIOLDQLBD-UHFFFAOYSA-N 1 2 379.825 2.253 20 0 GEADLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000179675504 644466291 /nfs/dbraw/zinc/46/62/91/644466291.db2.gz RCPAFPOQYOYQEC-AWEZNQCLSA-N 1 2 398.345 2.495 20 0 GEADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179683185 644467189 /nfs/dbraw/zinc/46/71/89/644467189.db2.gz FUQRVKQRWBEEKS-MNOVXSKESA-N 1 2 392.315 2.474 20 0 GEADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179683185 644467191 /nfs/dbraw/zinc/46/71/91/644467191.db2.gz FUQRVKQRWBEEKS-MNOVXSKESA-N 1 2 392.315 2.474 20 0 GEADLO CCS(=O)(=O)CC[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000180418998 644503056 /nfs/dbraw/zinc/50/30/56/644503056.db2.gz GNXZBRGLCMVGIC-SFHVURJKSA-N 1 2 381.519 2.204 20 0 GEADLO C[C@@]1(c2ccc(C[NH2+]Cc3ncc(Br)s3)cc2)NC(=O)NC1=O ZINC000543875130 650927114 /nfs/dbraw/zinc/92/71/14/650927114.db2.gz JXYWAUUTPQRPMJ-HNNXBMFYSA-N 1 2 395.282 2.250 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000180639488 644510224 /nfs/dbraw/zinc/51/02/24/644510224.db2.gz TXFYPXNZNWTSKB-BZNIZROVSA-N 1 2 393.285 2.018 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000180639488 644510227 /nfs/dbraw/zinc/51/02/27/644510227.db2.gz TXFYPXNZNWTSKB-BZNIZROVSA-N 1 2 393.285 2.018 20 0 GEADLO C[N@@H+](Cc1nnnn1-c1ccccc1Br)C[C@H]1CCCC[C@@H]1O ZINC000181487108 644538608 /nfs/dbraw/zinc/53/86/08/644538608.db2.gz MRGQHBXIAIUCER-DOMZBBRYSA-N 1 2 380.290 2.408 20 0 GEADLO C[N@H+](Cc1nnnn1-c1ccccc1Br)C[C@H]1CCCC[C@@H]1O ZINC000181487108 644538612 /nfs/dbraw/zinc/53/86/12/644538612.db2.gz MRGQHBXIAIUCER-DOMZBBRYSA-N 1 2 380.290 2.408 20 0 GEADLO CS[C@H](CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(C)(C)C ZINC000544138424 650935847 /nfs/dbraw/zinc/93/58/47/650935847.db2.gz LLZUYHIIMLPFBD-RHSMWYFYSA-N 1 2 375.604 2.271 20 0 GEADLO COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000181978632 644953488 /nfs/dbraw/zinc/95/34/88/644953488.db2.gz SUWXNWVGUKAIRO-OAHLLOKOSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000181978632 644953490 /nfs/dbraw/zinc/95/34/90/644953490.db2.gz SUWXNWVGUKAIRO-OAHLLOKOSA-N 1 2 386.901 2.127 20 0 GEADLO C[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)c1nccs1 ZINC000184419008 645016819 /nfs/dbraw/zinc/01/68/19/645016819.db2.gz PVLQBKMRMKSGNU-JTQLQIEISA-N 1 2 397.298 2.311 20 0 GEADLO CCCCN(C(=O)C[NH2+][C@H](C)c1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 ZINC000184734726 645024849 /nfs/dbraw/zinc/02/48/49/645024849.db2.gz GZSACCYAGQRLQT-KGLIPLIRSA-N 1 2 387.571 2.172 20 0 GEADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cs1 ZINC000184739821 645024989 /nfs/dbraw/zinc/02/49/89/645024989.db2.gz XNSKCJARTGPNIR-WDEREUQCSA-N 1 2 382.511 2.031 20 0 GEADLO CCN(C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1)S(C)(=O)=O ZINC000185249320 645039538 /nfs/dbraw/zinc/03/95/38/645039538.db2.gz UIPCKACAALJVFE-UHFFFAOYSA-N 1 2 375.878 2.494 20 0 GEADLO COCCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000185235643 645039603 /nfs/dbraw/zinc/03/96/03/645039603.db2.gz YMNJOPRCJLWIMB-CYBMUJFWSA-N 1 2 376.862 2.274 20 0 GEADLO COCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000185235643 645039605 /nfs/dbraw/zinc/03/96/05/645039605.db2.gz YMNJOPRCJLWIMB-CYBMUJFWSA-N 1 2 376.862 2.274 20 0 GEADLO Nn1c(SCCCn2cc[nH+]c2)nnc1-c1cncc(Br)c1 ZINC000185556131 645049274 /nfs/dbraw/zinc/04/92/74/645049274.db2.gz BEKOHBSDCOBZDH-UHFFFAOYSA-N 1 2 380.275 2.195 20 0 GEADLO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187015216 645078751 /nfs/dbraw/zinc/07/87/51/645078751.db2.gz UGEFGAYWRARGBO-CQSZACIVSA-N 1 2 376.507 2.361 20 0 GEADLO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187015216 645078756 /nfs/dbraw/zinc/07/87/56/645078756.db2.gz UGEFGAYWRARGBO-CQSZACIVSA-N 1 2 376.507 2.361 20 0 GEADLO CC[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)[C@@H](C)CS(C)(=O)=O ZINC000187031791 645079820 /nfs/dbraw/zinc/07/98/20/645079820.db2.gz QNOLVMIEVQCWHO-HZMBPMFUSA-N 1 2 382.295 2.377 20 0 GEADLO CC[N@@H+](C[C@H](O)c1ccc(F)c(Br)c1)[C@@H](C)CS(C)(=O)=O ZINC000187031791 645079823 /nfs/dbraw/zinc/07/98/23/645079823.db2.gz QNOLVMIEVQCWHO-HZMBPMFUSA-N 1 2 382.295 2.377 20 0 GEADLO C[C@@H](CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)CC(C)(C)C ZINC000188035953 645104822 /nfs/dbraw/zinc/10/48/22/645104822.db2.gz LSGPQHMPUVFRJV-HNNXBMFYSA-N 1 2 375.579 2.257 20 0 GEADLO Cc1ccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)c(Br)c1 ZINC000188126616 645109575 /nfs/dbraw/zinc/10/95/75/645109575.db2.gz MTHUFFDGQKBHNV-UHFFFAOYSA-N 1 2 399.636 2.064 20 0 GEADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000188127287 645109637 /nfs/dbraw/zinc/10/96/37/645109637.db2.gz ORGNETBUZJKBQK-UHFFFAOYSA-N 1 2 375.603 2.300 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000188614528 645121091 /nfs/dbraw/zinc/12/10/91/645121091.db2.gz NZMMNRWAOKSTTE-ZDUSSCGKSA-N 1 2 376.881 2.355 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1CC(C)(C)O ZINC000188802499 645126336 /nfs/dbraw/zinc/12/63/36/645126336.db2.gz SUSQMMXIQRRXQY-LBPRGKRZSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[N@H+]1CC(C)(C)O ZINC000188802499 645126343 /nfs/dbraw/zinc/12/63/43/645126343.db2.gz SUSQMMXIQRRXQY-LBPRGKRZSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1CC(C)(C)O ZINC000188802479 645126476 /nfs/dbraw/zinc/12/64/76/645126476.db2.gz SUSQMMXIQRRXQY-GFCCVEGCSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[N@H+]1CC(C)(C)O ZINC000188802479 645126480 /nfs/dbraw/zinc/12/64/80/645126480.db2.gz SUSQMMXIQRRXQY-GFCCVEGCSA-N 1 2 380.432 2.171 20 0 GEADLO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cn1 ZINC000193310431 645265495 /nfs/dbraw/zinc/26/54/95/645265495.db2.gz SZVSTDXXULWUCM-LLVKDONJSA-N 1 2 393.271 2.201 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000193579085 645286819 /nfs/dbraw/zinc/28/68/19/645286819.db2.gz BYRBBCLQINYAKN-TXEJJXNPSA-N 1 2 388.295 2.500 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000193579085 645286834 /nfs/dbraw/zinc/28/68/34/645286834.db2.gz BYRBBCLQINYAKN-TXEJJXNPSA-N 1 2 388.295 2.500 20 0 GEADLO CN(Cc1nc(Cc2c[nH+]cn2C)no1)C(=O)c1ccc(Br)s1 ZINC000546551080 651001790 /nfs/dbraw/zinc/00/17/90/651001790.db2.gz SXRBATOTTZQYCP-UHFFFAOYSA-N 1 2 396.270 2.490 20 0 GEADLO C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000195336713 645372145 /nfs/dbraw/zinc/37/21/45/645372145.db2.gz SLFSPGKATUQKLT-KRWDZBQOSA-N 1 2 386.279 2.483 20 0 GEADLO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)NCC(F)(F)F ZINC000195443086 645378763 /nfs/dbraw/zinc/37/87/63/645378763.db2.gz KETOKZRVQJJMPE-UHFFFAOYSA-N 1 2 380.436 2.017 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cccn(C)c3=O)[nH+]c12 ZINC000546766692 651008827 /nfs/dbraw/zinc/00/88/27/651008827.db2.gz SMCVLNYWXOEYKS-UHFFFAOYSA-N 1 2 389.253 2.076 20 0 GEADLO COc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)sc1Br ZINC000245612095 645461922 /nfs/dbraw/zinc/46/19/22/645461922.db2.gz BTWQZMGFLFAYNX-UWVGGRQHSA-N 1 2 377.304 2.046 20 0 GEADLO COc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)sc1Br ZINC000245612095 645461925 /nfs/dbraw/zinc/46/19/25/645461925.db2.gz BTWQZMGFLFAYNX-UWVGGRQHSA-N 1 2 377.304 2.046 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1C(F)(F)F ZINC000245778811 645468880 /nfs/dbraw/zinc/46/88/80/645468880.db2.gz BOROLNVCORYLEG-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1C(F)(F)F ZINC000245778811 645468883 /nfs/dbraw/zinc/46/88/83/645468883.db2.gz BOROLNVCORYLEG-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246607103 645487422 /nfs/dbraw/zinc/48/74/22/645487422.db2.gz AZSVLMWOVYSUTC-DGCLKSJQSA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246607103 645487434 /nfs/dbraw/zinc/48/74/34/645487434.db2.gz AZSVLMWOVYSUTC-DGCLKSJQSA-N 1 2 384.325 2.488 20 0 GEADLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccnn1Cc1cccs1 ZINC000246710769 645489668 /nfs/dbraw/zinc/48/96/68/645489668.db2.gz FFWFTXUFBNBRJB-CABCVRRESA-N 1 2 378.523 2.138 20 0 GEADLO O=C(C[N@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccnn1Cc1cccs1 ZINC000246710769 645489674 /nfs/dbraw/zinc/48/96/74/645489674.db2.gz FFWFTXUFBNBRJB-CABCVRRESA-N 1 2 378.523 2.138 20 0 GEADLO C[N@H+](C[C@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000246941585 645498980 /nfs/dbraw/zinc/49/89/80/645498980.db2.gz FCGBXBBUMKTCFR-PBHICJAKSA-N 1 2 396.285 2.284 20 0 GEADLO C[N@@H+](C[C@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000246941585 645498985 /nfs/dbraw/zinc/49/89/85/645498985.db2.gz FCGBXBBUMKTCFR-PBHICJAKSA-N 1 2 396.285 2.284 20 0 GEADLO COc1ccc(CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)cc1Br ZINC000253374737 645569588 /nfs/dbraw/zinc/56/95/88/645569588.db2.gz NJNYAZJMMBGAMP-ZDUSSCGKSA-N 1 2 396.329 2.242 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c(Br)c1 ZINC000261641494 645592419 /nfs/dbraw/zinc/59/24/19/645592419.db2.gz GKEZTAKGGWCTOT-HNNXBMFYSA-N 1 2 396.310 2.488 20 0 GEADLO O=C(CCc1ccc(Cl)s1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261809915 645602290 /nfs/dbraw/zinc/60/22/90/645602290.db2.gz SMOOVMXOYPRNGX-UHFFFAOYSA-N 1 2 379.917 2.435 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc(Br)cs1 ZINC000264330943 645675750 /nfs/dbraw/zinc/67/57/50/645675750.db2.gz SMXDZVIMNZXGDB-UHFFFAOYSA-N 1 2 385.287 2.292 20 0 GEADLO COC(=O)[C@H]1CC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000264546435 645690649 /nfs/dbraw/zinc/69/06/49/645690649.db2.gz URANBDOMKMYVHI-LBPRGKRZSA-N 1 2 380.242 2.418 20 0 GEADLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000264546435 645690654 /nfs/dbraw/zinc/69/06/54/645690654.db2.gz URANBDOMKMYVHI-LBPRGKRZSA-N 1 2 380.242 2.418 20 0 GEADLO CN1CCN(C)[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000264791376 645717186 /nfs/dbraw/zinc/71/71/86/645717186.db2.gz XETVIVBALGSLCG-OAHLLOKOSA-N 1 2 378.318 2.175 20 0 GEADLO Cc1nonc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000265069910 645739298 /nfs/dbraw/zinc/73/92/98/645739298.db2.gz WDCGHTHAPJXVBL-NSHDSACASA-N 1 2 380.246 2.386 20 0 GEADLO Cc1nonc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000265069910 645739307 /nfs/dbraw/zinc/73/93/07/645739307.db2.gz WDCGHTHAPJXVBL-NSHDSACASA-N 1 2 380.246 2.386 20 0 GEADLO O=C(Cn1cc(Br)cn1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000265341315 645753758 /nfs/dbraw/zinc/75/37/58/645753758.db2.gz ZITFUMHDXSVJCG-UHFFFAOYSA-N 1 2 379.258 2.117 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(Cl)c1 ZINC000266566811 645851037 /nfs/dbraw/zinc/85/10/37/645851037.db2.gz ZWEKRWAXHKCWTP-NWDGAFQWSA-N 1 2 377.890 2.259 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(Cl)c1 ZINC000266566811 645851040 /nfs/dbraw/zinc/85/10/40/645851040.db2.gz ZWEKRWAXHKCWTP-NWDGAFQWSA-N 1 2 377.890 2.259 20 0 GEADLO Cc1nsc(N2CCC[N@H+](CC(=O)NCc3ccc(Cl)cc3)CC2)n1 ZINC000266602091 645852684 /nfs/dbraw/zinc/85/26/84/645852684.db2.gz DWAYUMDYBLYNKS-UHFFFAOYSA-N 1 2 379.917 2.328 20 0 GEADLO Cc1nsc(N2CCC[N@@H+](CC(=O)NCc3ccc(Cl)cc3)CC2)n1 ZINC000266602091 645852686 /nfs/dbraw/zinc/85/26/86/645852686.db2.gz DWAYUMDYBLYNKS-UHFFFAOYSA-N 1 2 379.917 2.328 20 0 GEADLO C[C@H](CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[NH+](C)C ZINC000267300226 645896727 /nfs/dbraw/zinc/89/67/27/645896727.db2.gz JVEKVLGIAQGNAI-LLVKDONJSA-N 1 2 383.499 2.016 20 0 GEADLO C[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[NH+](C)C ZINC000267300227 645896749 /nfs/dbraw/zinc/89/67/49/645896749.db2.gz JVEKVLGIAQGNAI-NSHDSACASA-N 1 2 383.499 2.016 20 0 GEADLO Cc1nsc(N2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)n1 ZINC000267321106 645898248 /nfs/dbraw/zinc/89/82/48/645898248.db2.gz HAHKLFFISJFSGH-AWEZNQCLSA-N 1 2 383.315 2.465 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@H](NS(=O)(=O)c3cccs3)C2)cc(OC)c1 ZINC000268019748 645940251 /nfs/dbraw/zinc/94/02/51/645940251.db2.gz BJGZYNHEQLEHCJ-AWEZNQCLSA-N 1 2 382.507 2.318 20 0 GEADLO COc1cc(C[N@H+]2CC[C@H](NS(=O)(=O)c3cccs3)C2)cc(OC)c1 ZINC000268019748 645940260 /nfs/dbraw/zinc/94/02/60/645940260.db2.gz BJGZYNHEQLEHCJ-AWEZNQCLSA-N 1 2 382.507 2.318 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[S@](=O)Cc1c[nH+]cn1C ZINC000268124178 645945970 /nfs/dbraw/zinc/94/59/70/645945970.db2.gz CROBJHNTRQRPGE-JOCHJYFZSA-N 1 2 384.299 2.090 20 0 GEADLO COc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(I)c1 ZINC000268348010 645960326 /nfs/dbraw/zinc/96/03/26/645960326.db2.gz JMJFZWNBLBRLLH-JTQLQIEISA-N 1 2 385.205 2.315 20 0 GEADLO C[NH+](C)[C@H]1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)nc3)nc2)C1 ZINC000269483584 646039236 /nfs/dbraw/zinc/03/92/36/646039236.db2.gz XEBPXZBBUKHTJZ-ZDUSSCGKSA-N 1 2 381.889 2.071 20 0 GEADLO C[NH+](C)[C@@H]1CCN(c2ccc(NS(=O)(=O)c3cncc(Cl)c3)nc2)C1 ZINC000269920523 646072803 /nfs/dbraw/zinc/07/28/03/646072803.db2.gz ANYULTCBDVLRRO-CQSZACIVSA-N 1 2 381.889 2.071 20 0 GEADLO COc1ccc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)c(Cl)c1OC ZINC000271085899 646172222 /nfs/dbraw/zinc/17/22/22/646172222.db2.gz TZEHQMDJFVGPRC-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO COc1ccc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)c(Cl)c1OC ZINC000271085899 646172227 /nfs/dbraw/zinc/17/22/27/646172227.db2.gz TZEHQMDJFVGPRC-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO NC(=O)[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(Br)cc1F ZINC000271334287 646192488 /nfs/dbraw/zinc/19/24/88/646192488.db2.gz AZVRGEOFXJFRLL-SMDDNHRTSA-N 1 2 387.249 2.390 20 0 GEADLO CN(C1CC[NH+](Cc2c(F)cccc2Br)CC1)S(C)(=O)=O ZINC000271420537 646204199 /nfs/dbraw/zinc/20/41/99/646204199.db2.gz YHXHZMLRVNXUKB-UHFFFAOYSA-N 1 2 379.295 2.444 20 0 GEADLO C[C@@H]1CCN(C(=O)c2nccn3c(Br)cnc23)C[C@H]1n1cc[nH+]c1 ZINC000271457226 646209097 /nfs/dbraw/zinc/20/90/97/646209097.db2.gz SPYAKSDSOCJOCE-VXGBXAGGSA-N 1 2 389.257 2.412 20 0 GEADLO COC(C[N@H+](CCCO)Cc1nc2ccc(Br)cc2n1C)OC ZINC000274959811 646337282 /nfs/dbraw/zinc/33/72/82/646337282.db2.gz GKAOWSYWPPIFTA-UHFFFAOYSA-N 1 2 386.290 2.139 20 0 GEADLO COC(C[N@@H+](CCCO)Cc1nc2ccc(Br)cc2n1C)OC ZINC000274959811 646337286 /nfs/dbraw/zinc/33/72/86/646337286.db2.gz GKAOWSYWPPIFTA-UHFFFAOYSA-N 1 2 386.290 2.139 20 0 GEADLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)Nc1ccc(I)cc1 ZINC000275202655 646347757 /nfs/dbraw/zinc/34/77/57/646347757.db2.gz QRIWWCLWCKDKJD-NXEZZACHSA-N 1 2 399.236 2.098 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(=O)n1C ZINC000277432415 646419006 /nfs/dbraw/zinc/41/90/06/646419006.db2.gz MMBSFCYJKUBSMY-IAQYHMDHSA-N 1 2 393.285 2.376 20 0 GEADLO C[C@H]([C@@H](C)[NH+]1CCOCC1)N1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000277969559 646484541 /nfs/dbraw/zinc/48/45/41/646484541.db2.gz SDHDBFBYQOESLR-JMSVASOKSA-N 1 2 396.285 2.151 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cccc3cncc(Br)c32)CC1 ZINC000278593686 646528987 /nfs/dbraw/zinc/52/89/87/646528987.db2.gz UPJMMVSCLAPUDI-UHFFFAOYSA-N 1 2 391.269 2.100 20 0 GEADLO COc1ccc(Br)cc1-c1nc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cs1 ZINC000278628672 646532554 /nfs/dbraw/zinc/53/25/54/646532554.db2.gz GGRLCDMBWQNAJN-BETUJISGSA-N 1 2 385.283 2.119 20 0 GEADLO COc1ccc(Br)cc1-c1nc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cs1 ZINC000278628672 646532560 /nfs/dbraw/zinc/53/25/60/646532560.db2.gz GGRLCDMBWQNAJN-BETUJISGSA-N 1 2 385.283 2.119 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1ncc(C(F)(F)F)s1)NCc1ccccc1 ZINC000278729120 646543661 /nfs/dbraw/zinc/54/36/61/646543661.db2.gz UJBFSUHVKUKWEA-UHFFFAOYSA-N 1 2 379.429 2.371 20 0 GEADLO C[C@@H]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)C[C@@H]1n1cc[nH+]c1 ZINC000278825008 646553716 /nfs/dbraw/zinc/55/37/16/646553716.db2.gz UTGUVBPZCZXSFT-YPMHNXCESA-N 1 2 379.258 2.398 20 0 GEADLO NC(=O)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278851472 646557735 /nfs/dbraw/zinc/55/77/35/646557735.db2.gz RMUPNLDFKQZDIO-LLVKDONJSA-N 1 2 375.416 2.477 20 0 GEADLO NC(=O)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278851472 646557737 /nfs/dbraw/zinc/55/77/37/646557737.db2.gz RMUPNLDFKQZDIO-LLVKDONJSA-N 1 2 375.416 2.477 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000279408816 646599432 /nfs/dbraw/zinc/59/94/32/646599432.db2.gz WTSIGRZUWQTJKE-NSHDSACASA-N 1 2 381.274 2.118 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O ZINC000279428326 646600406 /nfs/dbraw/zinc/60/04/06/646600406.db2.gz MCSHLUIACVOKLF-UHFFFAOYSA-N 1 2 376.360 2.290 20 0 GEADLO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000279680576 646622404 /nfs/dbraw/zinc/62/24/04/646622404.db2.gz GMPZDXMNCFNOOT-UHFFFAOYSA-N 1 2 376.469 2.226 20 0 GEADLO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000279680576 646622407 /nfs/dbraw/zinc/62/24/07/646622407.db2.gz GMPZDXMNCFNOOT-UHFFFAOYSA-N 1 2 376.469 2.226 20 0 GEADLO O=C(c1c[nH]c2ncc(Br)cc12)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000280468647 646684762 /nfs/dbraw/zinc/68/47/62/646684762.db2.gz TUFYQEABPULMGT-CYBMUJFWSA-N 1 2 393.285 2.262 20 0 GEADLO C[C@@H]([NH2+]Cc1nccs1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280792528 646717440 /nfs/dbraw/zinc/71/74/40/646717440.db2.gz UCLULXFCUHIYQQ-MRVPVSSYSA-N 1 2 376.301 2.404 20 0 GEADLO Cc1nn2c(C[NH+]3CCC(CNC(=O)C(F)(F)F)CC3)c(C)nc2s1 ZINC000281338066 646762896 /nfs/dbraw/zinc/76/28/96/646762896.db2.gz SOLKMOAKIAAANH-UHFFFAOYSA-N 1 2 375.420 2.298 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)c1ccc(Br)cc1 ZINC000281413232 646769858 /nfs/dbraw/zinc/76/98/58/646769858.db2.gz OFRGGQUXLDOUAN-LNSITVRQSA-N 1 2 396.285 2.057 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)c1ccc(Br)cc1 ZINC000281413232 646769862 /nfs/dbraw/zinc/76/98/62/646769862.db2.gz OFRGGQUXLDOUAN-LNSITVRQSA-N 1 2 396.285 2.057 20 0 GEADLO O=C1N[C@H]2C[N@H+](Cc3cc4c(cc3Br)OCCO4)CC[C@@H]2CO1 ZINC000281424696 646770457 /nfs/dbraw/zinc/77/04/57/646770457.db2.gz OYROHVCQOKZEIL-MFKMUULPSA-N 1 2 383.242 2.151 20 0 GEADLO O=C1N[C@H]2C[N@@H+](Cc3cc4c(cc3Br)OCCO4)CC[C@@H]2CO1 ZINC000281424696 646770460 /nfs/dbraw/zinc/77/04/60/646770460.db2.gz OYROHVCQOKZEIL-MFKMUULPSA-N 1 2 383.242 2.151 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000281741768 646794793 /nfs/dbraw/zinc/79/47/93/646794793.db2.gz VNCZBDWMNQNQQY-ZJUUUORDSA-N 1 2 394.324 2.302 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000282182921 646818870 /nfs/dbraw/zinc/81/88/70/646818870.db2.gz DMZSHLWKTASRJX-UHFFFAOYSA-N 1 2 396.329 2.445 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000282182921 646818872 /nfs/dbraw/zinc/81/88/72/646818872.db2.gz DMZSHLWKTASRJX-UHFFFAOYSA-N 1 2 396.329 2.445 20 0 GEADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(C(N)=O)c(Cl)n2)CC1 ZINC000283543596 646824051 /nfs/dbraw/zinc/82/40/51/646824051.db2.gz UONCOCICIMUGJN-NSHDSACASA-N 1 2 378.885 2.414 20 0 GEADLO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000284052408 646831230 /nfs/dbraw/zinc/83/12/30/646831230.db2.gz SWARNQOHEFHPGE-CYBMUJFWSA-N 1 2 393.285 2.084 20 0 GEADLO CN(Cc1ccc(Br)o1)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000285316703 646853406 /nfs/dbraw/zinc/85/34/06/646853406.db2.gz SVTXYMORBPPRTO-UHFFFAOYSA-N 1 2 395.257 2.014 20 0 GEADLO COC(=O)[C@@H]1CC[C@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000285984805 646863294 /nfs/dbraw/zinc/86/32/94/646863294.db2.gz FZUMVAQDXYOFSD-ZIAGYGMSSA-N 1 2 394.269 2.263 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000286148656 646867359 /nfs/dbraw/zinc/86/73/59/646867359.db2.gz ZUBBRKNVMMPZKM-HZMBPMFUSA-N 1 2 377.242 2.266 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000286148656 646867361 /nfs/dbraw/zinc/86/73/61/646867361.db2.gz ZUBBRKNVMMPZKM-HZMBPMFUSA-N 1 2 377.242 2.266 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(Br)cc1 ZINC000287354479 646885092 /nfs/dbraw/zinc/88/50/92/646885092.db2.gz MBBBJXSAOUQXPP-CZUORRHYSA-N 1 2 382.302 2.454 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287350612 646885208 /nfs/dbraw/zinc/88/52/08/646885208.db2.gz NIVCBTKRQAQYLJ-WCQYABFASA-N 1 2 398.301 2.096 20 0 GEADLO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N1CCn2c[nH+]cc2C1 ZINC000291090161 647176522 /nfs/dbraw/zinc/17/65/22/647176522.db2.gz UWWHAKSNTHAVFG-AWEZNQCLSA-N 1 2 390.285 2.450 20 0 GEADLO CSCC[C@H](NC(N)=O)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000292525447 647197661 /nfs/dbraw/zinc/19/76/61/647197661.db2.gz LLCGORDSQHKRMT-YPMHNXCESA-N 1 2 385.559 2.104 20 0 GEADLO CSCC[C@H](NC(N)=O)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000292525447 647197664 /nfs/dbraw/zinc/19/76/64/647197664.db2.gz LLCGORDSQHKRMT-YPMHNXCESA-N 1 2 385.559 2.104 20 0 GEADLO CCOc1cccc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1OC(F)F ZINC000292753030 647209812 /nfs/dbraw/zinc/20/98/12/647209812.db2.gz IRUBBMJKPZKPDZ-ZDUSSCGKSA-N 1 2 378.441 2.152 20 0 GEADLO CCOc1cccc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1OC(F)F ZINC000292753030 647209818 /nfs/dbraw/zinc/20/98/18/647209818.db2.gz IRUBBMJKPZKPDZ-ZDUSSCGKSA-N 1 2 378.441 2.152 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)o1 ZINC000294879741 647225719 /nfs/dbraw/zinc/22/57/19/647225719.db2.gz ACSSLTIRBYRTOE-JQWIXIFHSA-N 1 2 388.251 2.289 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)o1 ZINC000294879741 647225729 /nfs/dbraw/zinc/22/57/29/647225729.db2.gz ACSSLTIRBYRTOE-JQWIXIFHSA-N 1 2 388.251 2.289 20 0 GEADLO C[C@@H](CNC(=O)CCc1cccc(F)c1Br)[NH+]1CCN(C)CC1 ZINC000294887453 647226508 /nfs/dbraw/zinc/22/65/08/647226508.db2.gz FGSJUBPSOYIQFG-ZDUSSCGKSA-N 1 2 386.309 2.273 20 0 GEADLO COCCc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000299040550 647269929 /nfs/dbraw/zinc/26/99/29/647269929.db2.gz CGSMJIMWXGPDNA-UHFFFAOYSA-N 1 2 380.535 2.274 20 0 GEADLO COCCc1ccc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000299040550 647269937 /nfs/dbraw/zinc/26/99/37/647269937.db2.gz CGSMJIMWXGPDNA-UHFFFAOYSA-N 1 2 380.535 2.274 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C)CC1 ZINC000330407930 647336370 /nfs/dbraw/zinc/33/63/70/647336370.db2.gz GZHHGPXMNCWYSJ-CQSZACIVSA-N 1 2 380.432 2.091 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000331270234 647376591 /nfs/dbraw/zinc/37/65/91/647376591.db2.gz KLDFTHCKDVFQFZ-UHFFFAOYSA-N 1 2 380.432 2.091 20 0 GEADLO COc1ccc(Br)c(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000332317738 647431804 /nfs/dbraw/zinc/43/18/04/647431804.db2.gz KSLLVSWYTSHJAV-AWEZNQCLSA-N 1 2 398.301 2.074 20 0 GEADLO O=C(c1cc(Cl)cc(Br)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000332331765 647434213 /nfs/dbraw/zinc/43/42/13/647434213.db2.gz YZTOJMJZHRVSPR-UHFFFAOYSA-N 1 2 398.692 2.152 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)CC[N@@H+]1CCOC ZINC000332566530 647446446 /nfs/dbraw/zinc/44/64/46/647446446.db2.gz BNHXAXRKWZAGKY-CQSZACIVSA-N 1 2 383.539 2.336 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)CC[N@H+]1CCOC ZINC000332566530 647446452 /nfs/dbraw/zinc/44/64/52/647446452.db2.gz BNHXAXRKWZAGKY-CQSZACIVSA-N 1 2 383.539 2.336 20 0 GEADLO C[C@H](CNC(=O)N1CC[S@](=O)C(C)(C)CC1)[N@@H+]1CCc2sccc2C1 ZINC000333953787 647487083 /nfs/dbraw/zinc/48/70/83/647487083.db2.gz DRAVSVVELBAWER-PWECECGKSA-N 1 2 383.583 2.437 20 0 GEADLO C[C@H](CNC(=O)N1CC[S@](=O)C(C)(C)CC1)[N@H+]1CCc2sccc2C1 ZINC000333953787 647487087 /nfs/dbraw/zinc/48/70/87/647487087.db2.gz DRAVSVVELBAWER-PWECECGKSA-N 1 2 383.583 2.437 20 0 GEADLO CC(C)(C)[N@@H+]1C[C@@H](c2nc([C@H]3CCS(=O)(=O)C3)no2)[C@H](C(F)(F)F)C1 ZINC000350508317 647534017 /nfs/dbraw/zinc/53/40/17/647534017.db2.gz INNZKPUHEDODNJ-HBNTYKKESA-N 1 2 381.420 2.348 20 0 GEADLO CC(C)(C)[N@H+]1C[C@@H](c2nc([C@H]3CCS(=O)(=O)C3)no2)[C@H](C(F)(F)F)C1 ZINC000350508317 647534018 /nfs/dbraw/zinc/53/40/18/647534018.db2.gz INNZKPUHEDODNJ-HBNTYKKESA-N 1 2 381.420 2.348 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1c(Cl)ccnc1Cl ZINC000361146557 647560519 /nfs/dbraw/zinc/56/05/19/647560519.db2.gz ZKLADSYNGUUOTD-YPMHNXCESA-N 1 2 394.324 2.168 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1c(Cl)ccnc1Cl ZINC000361146555 647560693 /nfs/dbraw/zinc/56/06/93/647560693.db2.gz ZKLADSYNGUUOTD-WCQYABFASA-N 1 2 394.324 2.168 20 0 GEADLO Cc1ncc(S(=O)(=O)NCC2CC[NH+](Cc3csc(C)n3)CC2)s1 ZINC000362758087 647573887 /nfs/dbraw/zinc/57/38/87/647573887.db2.gz IOSUTSTWIHBMAQ-UHFFFAOYSA-N 1 2 386.568 2.407 20 0 GEADLO Cc1csc(NC(=O)[C@H]2CCC[N@@H+](CC(=O)N(C)CC(F)(F)F)C2)n1 ZINC000363021787 647579673 /nfs/dbraw/zinc/57/96/73/647579673.db2.gz AJBIOFNWOCPSHF-NSHDSACASA-N 1 2 378.420 2.123 20 0 GEADLO Cc1csc(NC(=O)[C@H]2CCC[N@H+](CC(=O)N(C)CC(F)(F)F)C2)n1 ZINC000363021787 647579678 /nfs/dbraw/zinc/57/96/78/647579678.db2.gz AJBIOFNWOCPSHF-NSHDSACASA-N 1 2 378.420 2.123 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)CCCC1 ZINC000363147416 647586705 /nfs/dbraw/zinc/58/67/05/647586705.db2.gz UBDMHZSDWJWIPY-UHFFFAOYSA-N 1 2 385.295 2.132 20 0 GEADLO O=C(NCCn1cc[nH+]c1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000363995953 647616863 /nfs/dbraw/zinc/61/68/63/647616863.db2.gz QRXMXSXRQCCBLW-UHFFFAOYSA-N 1 2 376.218 2.048 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000364329113 647621727 /nfs/dbraw/zinc/62/17/27/647621727.db2.gz PVNPYYNJQXXTFK-DLBZAZTESA-N 1 2 386.945 2.165 20 0 GEADLO O=C(Nc1cccc(Br)c1)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000364770935 647641443 /nfs/dbraw/zinc/64/14/43/647641443.db2.gz RFKUFBGCBGKVNA-UHFFFAOYSA-N 1 2 379.258 2.230 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000364944657 647650701 /nfs/dbraw/zinc/65/07/01/647650701.db2.gz OMPFLCVGVPTVMR-LBPRGKRZSA-N 1 2 384.395 2.280 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000364944657 647650712 /nfs/dbraw/zinc/65/07/12/647650712.db2.gz OMPFLCVGVPTVMR-LBPRGKRZSA-N 1 2 384.395 2.280 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000365732052 647683376 /nfs/dbraw/zinc/68/33/76/647683376.db2.gz DAWICDFEOKLMTC-AWEZNQCLSA-N 1 2 389.253 2.086 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000365732052 647683381 /nfs/dbraw/zinc/68/33/81/647683381.db2.gz DAWICDFEOKLMTC-AWEZNQCLSA-N 1 2 389.253 2.086 20 0 GEADLO O=c1c(Cl)c(N2CC[N@@H+]3CCOC[C@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000371801472 647800278 /nfs/dbraw/zinc/80/02/78/647800278.db2.gz GSUWIIVITDRJPQ-CQSZACIVSA-N 1 2 381.263 2.060 20 0 GEADLO O=c1c(Cl)c(N2CC[N@H+]3CCOC[C@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000371801472 647800281 /nfs/dbraw/zinc/80/02/81/647800281.db2.gz GSUWIIVITDRJPQ-CQSZACIVSA-N 1 2 381.263 2.060 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+](C)[C@@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000372196339 647803852 /nfs/dbraw/zinc/80/38/52/647803852.db2.gz RHBPWUYHTICBIF-INIZCTEOSA-N 1 2 382.917 2.481 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+](C)[C@@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000372196339 647803856 /nfs/dbraw/zinc/80/38/56/647803856.db2.gz RHBPWUYHTICBIF-INIZCTEOSA-N 1 2 382.917 2.481 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000374331675 647821452 /nfs/dbraw/zinc/82/14/52/647821452.db2.gz LHQJCAPSGNIIMZ-NSHDSACASA-N 1 2 377.242 2.137 20 0 GEADLO Cn1cc[nH+]c1N1CCC(NS(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000374736403 647826124 /nfs/dbraw/zinc/82/61/24/647826124.db2.gz SCKZZRIFHHKLIE-UHFFFAOYSA-N 1 2 390.296 2.069 20 0 GEADLO O=C(NC[C@@H](O)c1cccc(Br)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000374811703 647827228 /nfs/dbraw/zinc/82/72/28/647827228.db2.gz XMHJHEDDWGFVKL-MRXNPFEDSA-N 1 2 397.313 2.244 20 0 GEADLO Nc1c(Cl)cc(NC(=O)c2cnn(CC[NH+]3CCOCC3)c2)cc1Cl ZINC000377652828 647863097 /nfs/dbraw/zinc/86/30/97/647863097.db2.gz GTLVGBMEJVVATE-UHFFFAOYSA-N 1 2 384.267 2.357 20 0 GEADLO CN1C[C@@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)CC1=O ZINC000386153062 647889133 /nfs/dbraw/zinc/88/91/33/647889133.db2.gz PGAFIFZXYSAUTE-QMMMGPOBSA-N 1 2 378.064 2.238 20 0 GEADLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000408181255 647933351 /nfs/dbraw/zinc/93/33/51/647933351.db2.gz BBNGLEHNYOZROL-STQMWFEESA-N 1 2 386.901 2.359 20 0 GEADLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000408181255 647933356 /nfs/dbraw/zinc/93/33/56/647933356.db2.gz BBNGLEHNYOZROL-STQMWFEESA-N 1 2 386.901 2.359 20 0 GEADLO C[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000409656526 647976578 /nfs/dbraw/zinc/97/65/78/647976578.db2.gz IYENRLQKNYQHCH-RDBSUJKOSA-N 1 2 385.302 2.442 20 0 GEADLO Cc1cn(C)nc1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000412247222 648046204 /nfs/dbraw/zinc/04/62/04/648046204.db2.gz GWRKEYMMGVNKSW-UHFFFAOYSA-N 1 2 376.258 2.420 20 0 GEADLO CC(C)(CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)S(C)(=O)=O ZINC000413053424 648059377 /nfs/dbraw/zinc/05/93/77/648059377.db2.gz NPOVHOIGZUXBMK-CQSZACIVSA-N 1 2 387.571 2.398 20 0 GEADLO CC[C@H](CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)CC(F)(F)F ZINC000413159021 648060174 /nfs/dbraw/zinc/06/01/74/648060174.db2.gz KCIRNCNRTZRDDM-ZFWWWQNUSA-N 1 2 383.480 2.472 20 0 GEADLO C[C@@H](O)CNc1cc(NC[C@H](C)Oc2cccc(Br)c2)nc[nH+]1 ZINC000413164243 648060855 /nfs/dbraw/zinc/06/08/55/648060855.db2.gz HITGBHVCPRSVHA-NEPJUHHUSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@@H](O)CNc1cc(NC[C@H](C)Oc2cccc(Br)c2)[nH+]cn1 ZINC000413164243 648060861 /nfs/dbraw/zinc/06/08/61/648060861.db2.gz HITGBHVCPRSVHA-NEPJUHHUSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(Br)cn1 ZINC000413502212 648068569 /nfs/dbraw/zinc/06/85/69/648068569.db2.gz JSATZJYGMYTPFS-LBPRGKRZSA-N 1 2 385.306 2.315 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416661747 648205139 /nfs/dbraw/zinc/20/51/39/648205139.db2.gz JVSWUQAIJBAWJL-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416661747 648205140 /nfs/dbraw/zinc/20/51/40/648205140.db2.gz JVSWUQAIJBAWJL-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000416664015 648205946 /nfs/dbraw/zinc/20/59/46/648205946.db2.gz MSMVTPUOYJRIOG-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000416664015 648205949 /nfs/dbraw/zinc/20/59/49/648205949.db2.gz MSMVTPUOYJRIOG-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO COc1cc(F)c(Br)cc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417559626 648252529 /nfs/dbraw/zinc/25/25/29/648252529.db2.gz YDPODKZUJYBEMJ-JTQLQIEISA-N 1 2 390.253 2.439 20 0 GEADLO COc1cc(F)c(Br)cc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417559626 648252531 /nfs/dbraw/zinc/25/25/31/648252531.db2.gz YDPODKZUJYBEMJ-JTQLQIEISA-N 1 2 390.253 2.439 20 0 GEADLO O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418273664 648290707 /nfs/dbraw/zinc/29/07/07/648290707.db2.gz XJKCWEUMTUELFI-JTQLQIEISA-N 1 2 388.216 2.122 20 0 GEADLO O=C1[C@H]2Cc3c(Br)cccc3CN2C(=O)N1CCCn1cc[nH+]c1 ZINC000419915973 648388131 /nfs/dbraw/zinc/38/81/31/648388131.db2.gz ZKEGUEWCSYLBNY-OAHLLOKOSA-N 1 2 389.253 2.425 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)N1C[C@H](C)[NH2+]Cc2ccc(F)cc21 ZINC000420465521 648418785 /nfs/dbraw/zinc/41/87/85/648418785.db2.gz VTXICHOYNFEEGB-JTQLQIEISA-N 1 2 384.454 2.361 20 0 GEADLO O=S(=O)(c1cccc2c1OCC2)N1CC[NH+](CCc2cccs2)CC1 ZINC000420662269 648428944 /nfs/dbraw/zinc/42/89/44/648428944.db2.gz MXMKSARNXZCFMK-UHFFFAOYSA-N 1 2 378.519 2.232 20 0 GEADLO COC(=O)Cn1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)nn1 ZINC000420981387 648461321 /nfs/dbraw/zinc/46/13/21/648461321.db2.gz YDGGXXDLZXXIFE-OAHLLOKOSA-N 1 2 393.285 2.421 20 0 GEADLO COC(=O)Cn1cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)nn1 ZINC000420981387 648461323 /nfs/dbraw/zinc/46/13/23/648461323.db2.gz YDGGXXDLZXXIFE-OAHLLOKOSA-N 1 2 393.285 2.421 20 0 GEADLO Cc1cc(CNC(=O)C(=O)Nc2ccc(Br)c(C)n2)cc(C)[nH+]1 ZINC000421236610 648476614 /nfs/dbraw/zinc/47/66/14/648476614.db2.gz AKTPRMYNRTZQEJ-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(Br)cc1 ZINC000517508746 648567861 /nfs/dbraw/zinc/56/78/61/648567861.db2.gz UYWIYMXXLGJFAP-UHFFFAOYSA-N 1 2 379.258 2.230 20 0 GEADLO [NH3+][C@@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)c1cscn1 ZINC000422982472 648579917 /nfs/dbraw/zinc/57/99/17/648579917.db2.gz QTVSDQRXPATMCJ-CQSZACIVSA-N 1 2 399.303 2.434 20 0 GEADLO C[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1c[nH+]ccc1N ZINC000423113854 648582012 /nfs/dbraw/zinc/58/20/12/648582012.db2.gz ZKEMJSSIOBPBTM-JTQLQIEISA-N 1 2 389.308 2.430 20 0 GEADLO CC[C@@H]([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1nc(C)cs1 ZINC000425452257 648678093 /nfs/dbraw/zinc/67/80/93/648678093.db2.gz CPNYOTRJZFDZJL-OAHLLOKOSA-N 1 2 381.523 2.212 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000427056651 648721659 /nfs/dbraw/zinc/72/16/59/648721659.db2.gz INHGPDHOLWMQCL-LBPRGKRZSA-N 1 2 377.242 2.024 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000429269327 648748495 /nfs/dbraw/zinc/74/84/95/648748495.db2.gz BJKLGARONZMBRG-CYBMUJFWSA-N 1 2 396.336 2.490 20 0 GEADLO Cc1nc(C)c(CNc2nc(C)[nH+]c(NCc3sc(C)nc3C)n2)s1 ZINC000432828677 648781303 /nfs/dbraw/zinc/78/13/03/648781303.db2.gz KEFSDUBSKPOIIR-UHFFFAOYSA-N 1 2 375.527 2.395 20 0 GEADLO COCC(=O)N1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443522806 648880750 /nfs/dbraw/zinc/88/07/50/648880750.db2.gz NGMMAXNTHGNCTO-UHFFFAOYSA-N 1 2 382.233 2.431 20 0 GEADLO O=C(NC1CC1)[C@@H](O)C1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000548352493 651077411 /nfs/dbraw/zinc/07/74/11/651077411.db2.gz MZWCGRRLFWWTIK-INIZCTEOSA-N 1 2 385.277 2.440 20 0 GEADLO CC(C)[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000551096457 651118215 /nfs/dbraw/zinc/11/82/15/651118215.db2.gz FTJAFDMXXAXNOQ-CQSZACIVSA-N 1 2 381.325 2.317 20 0 GEADLO CC[C@@H]1CN(CCCC[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@@]1=O ZINC000552017684 651138230 /nfs/dbraw/zinc/13/82/30/651138230.db2.gz VEVCWZUPFARRPR-YWGVFPPWSA-N 1 2 376.632 2.229 20 0 GEADLO CC[C@@H]1CN(CCCC[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@@]1=O ZINC000552017684 651138231 /nfs/dbraw/zinc/13/82/31/651138231.db2.gz VEVCWZUPFARRPR-YWGVFPPWSA-N 1 2 376.632 2.229 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(Br)ccc1F)C2 ZINC000552157851 651141956 /nfs/dbraw/zinc/14/19/56/651141956.db2.gz JYFDGPGUGAJPAP-LBPRGKRZSA-N 1 2 396.260 2.373 20 0 GEADLO COc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(Br)c1 ZINC000553066885 651163618 /nfs/dbraw/zinc/16/36/18/651163618.db2.gz UGZKFVHLQMOVOP-STQMWFEESA-N 1 2 383.286 2.393 20 0 GEADLO COc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(Br)c1 ZINC000553066882 651163649 /nfs/dbraw/zinc/16/36/49/651163649.db2.gz UGZKFVHLQMOVOP-CHWSQXEVSA-N 1 2 383.286 2.393 20 0 GEADLO Cc1nnc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(I)cc2)o1 ZINC000553229055 651168566 /nfs/dbraw/zinc/16/85/66/651168566.db2.gz BNTYQPIFBYWVLJ-AWEZNQCLSA-N 1 2 398.248 3.059 20 0 GEADLO Cc1nnc(NC[C@@H]2CCC[N@H+]2Cc2ccc(I)cc2)o1 ZINC000553229055 651168568 /nfs/dbraw/zinc/16/85/68/651168568.db2.gz BNTYQPIFBYWVLJ-AWEZNQCLSA-N 1 2 398.248 3.059 20 0 GEADLO COc1ccc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)c(Br)c1 ZINC000554849603 651214410 /nfs/dbraw/zinc/21/44/10/651214410.db2.gz XTWNGPPTYVLSMX-ZDUSSCGKSA-N 1 2 391.331 2.361 20 0 GEADLO COc1ccc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)c(Br)c1 ZINC000554849603 651214411 /nfs/dbraw/zinc/21/44/11/651214411.db2.gz XTWNGPPTYVLSMX-ZDUSSCGKSA-N 1 2 391.331 2.361 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000554968131 651215065 /nfs/dbraw/zinc/21/50/65/651215065.db2.gz LQSGHZUXXOJUDZ-ZIAGYGMSSA-N 1 2 390.933 2.264 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cc3cn4ccc(Br)cc4n3)CC2)cn1 ZINC000555099721 651218121 /nfs/dbraw/zinc/21/81/21/651218121.db2.gz PCLWGGDPUZGJPC-UHFFFAOYSA-N 1 2 389.301 2.148 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H](NS(=O)(=O)CCc2cccc(Cl)c2)CCO1 ZINC000556817283 651254027 /nfs/dbraw/zinc/25/40/27/651254027.db2.gz KHLQXFWHHGOGPP-WBVHZDCISA-N 1 2 383.901 2.456 20 0 GEADLO O=C(NC[C@H]1CCCC(F)(F)C1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000558568267 651281639 /nfs/dbraw/zinc/28/16/39/651281639.db2.gz WVAAMIHXMPPXKX-GOEBONIOSA-N 1 2 377.501 2.319 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000558615415 651283539 /nfs/dbraw/zinc/28/35/39/651283539.db2.gz JKXRXYUSNRMIBZ-UHFFFAOYSA-N 1 2 392.301 2.210 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000558964012 651288735 /nfs/dbraw/zinc/28/87/35/651288735.db2.gz CYNKRNBMKDEUIL-VIFPVBQESA-N 1 2 385.649 2.442 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2sc(C)cc2OC(F)F)C1 ZINC000560644343 651313283 /nfs/dbraw/zinc/31/32/83/651313283.db2.gz BHDPXSTXCKQFJW-LLVKDONJSA-N 1 2 376.425 2.273 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2sc(C)cc2OC(F)F)C1 ZINC000560644343 651313287 /nfs/dbraw/zinc/31/32/87/651313287.db2.gz BHDPXSTXCKQFJW-LLVKDONJSA-N 1 2 376.425 2.273 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000560640664 651313310 /nfs/dbraw/zinc/31/33/10/651313310.db2.gz OJRBHQPXBRUJQU-CYBMUJFWSA-N 1 2 392.253 2.358 20 0 GEADLO COc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1Br ZINC000560746900 651314291 /nfs/dbraw/zinc/31/42/91/651314291.db2.gz RMEZXCVUQJDDFK-OCCSQVGLSA-N 1 2 383.286 2.393 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000642771318 651474772 /nfs/dbraw/zinc/47/47/72/651474772.db2.gz FLGNKPCFAAAXFV-GJZGRUSLSA-N 1 2 379.309 2.213 20 0 GEADLO C[C@H]([NH2+]Cc1n[nH]cc1Br)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000718134695 651475397 /nfs/dbraw/zinc/47/53/97/651475397.db2.gz SMDIHUNDIZIKSI-GWCFXTLKSA-N 1 2 389.294 2.286 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N(C)Cc2csc(Br)c2)CCO1 ZINC000726253364 651488291 /nfs/dbraw/zinc/48/82/91/651488291.db2.gz MUVJMQQWKUZFTE-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)Cc2csc(Br)c2)CCO1 ZINC000726253364 651488299 /nfs/dbraw/zinc/48/82/99/651488299.db2.gz MUVJMQQWKUZFTE-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ncc(I)s2)C1 ZINC000603429172 651490280 /nfs/dbraw/zinc/49/02/80/651490280.db2.gz GFZNYSSBZRLKKB-QMMMGPOBSA-N 1 2 388.234 2.111 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000604034749 651507299 /nfs/dbraw/zinc/50/72/99/651507299.db2.gz GDDUGVHJTIYHET-CQSZACIVSA-N 1 2 392.301 2.336 20 0 GEADLO CN(C)C(=O)[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000563518384 651528552 /nfs/dbraw/zinc/52/85/52/651528552.db2.gz CUYDGCCPGOWUNP-GXFFZTMASA-N 1 2 384.263 2.035 20 0 GEADLO CN(C)C(=O)[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000563518384 651528558 /nfs/dbraw/zinc/52/85/58/651528558.db2.gz CUYDGCCPGOWUNP-GXFFZTMASA-N 1 2 384.263 2.035 20 0 GEADLO CC[N@H+](CCOC)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000727819762 651529841 /nfs/dbraw/zinc/52/98/41/651529841.db2.gz KGHAHNKQNUJDAM-AWEZNQCLSA-N 1 2 390.303 2.203 20 0 GEADLO CC[N@@H+](CCOC)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000727819762 651529846 /nfs/dbraw/zinc/52/98/46/651529846.db2.gz KGHAHNKQNUJDAM-AWEZNQCLSA-N 1 2 390.303 2.203 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CSc2ccccc21 ZINC000605171980 651530921 /nfs/dbraw/zinc/53/09/21/651530921.db2.gz BHHBOSFFCUTCAR-YJBOKZPZSA-N 1 2 379.551 2.341 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CCS(=O)(=O)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000563849365 651545761 /nfs/dbraw/zinc/54/57/61/651545761.db2.gz JWPXZBCXRBBSGA-OAHLLOKOSA-N 1 2 387.933 2.161 20 0 GEADLO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Br)c1O ZINC000605893274 651546693 /nfs/dbraw/zinc/54/66/93/651546693.db2.gz WXAHSVODPQNJMV-GFCCVEGCSA-N 1 2 383.286 2.385 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@]34CCC(=O)N3CCS4)CC2)s1 ZINC000606395441 651552984 /nfs/dbraw/zinc/55/29/84/651552984.db2.gz KZIIHFNBRKPKHQ-SFHVURJKSA-N 1 2 379.551 2.020 20 0 GEADLO CSc1ccc(-c2nsc(NC(=O)N3CC[NH+](CCO)CC3)n2)cc1 ZINC000564131959 651555952 /nfs/dbraw/zinc/55/59/52/651555952.db2.gz RHDXKJZYWTWVDB-UHFFFAOYSA-N 1 2 379.511 2.069 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000730810302 651609828 /nfs/dbraw/zinc/60/98/28/651609828.db2.gz GYTJRXDGHNJMED-VIFPVBQESA-N 1 2 392.250 2.160 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCc1ccc(Br)cc1F ZINC000731044460 651617126 /nfs/dbraw/zinc/61/71/26/651617126.db2.gz LPLAGTKMJUQONJ-LBPRGKRZSA-N 1 2 388.281 2.151 20 0 GEADLO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000567611327 651629657 /nfs/dbraw/zinc/62/96/57/651629657.db2.gz ZDHMVNVZXVVQND-UONOGXRCSA-N 1 2 380.495 2.271 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccccc1Br)[C@@H]1CCc2c[nH+]cn2C1 ZINC000568094550 651651077 /nfs/dbraw/zinc/65/10/77/651651077.db2.gz JCENEXRPXNZNRU-DZGCQCFKSA-N 1 2 392.297 2.175 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCc2ccc(Br)cc2F)CCO1 ZINC000732456953 651657902 /nfs/dbraw/zinc/65/79/02/651657902.db2.gz BOLGVMMXUJYAPE-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCc2ccc(Br)cc2F)CCO1 ZINC000732456953 651657908 /nfs/dbraw/zinc/65/79/08/651657908.db2.gz BOLGVMMXUJYAPE-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000733894367 651728053 /nfs/dbraw/zinc/72/80/53/651728053.db2.gz DFBPWGHYCCVIFU-HNNXBMFYSA-N 1 2 382.917 2.146 20 0 GEADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000733894367 651728060 /nfs/dbraw/zinc/72/80/60/651728060.db2.gz DFBPWGHYCCVIFU-HNNXBMFYSA-N 1 2 382.917 2.146 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H]3CS(N)(=O)=O)c2cc1Cl ZINC000733895116 651728344 /nfs/dbraw/zinc/72/83/44/651728344.db2.gz QISQAKOPRJAXKY-CYBMUJFWSA-N 1 2 384.885 2.262 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H]3CS(N)(=O)=O)c2cc1Cl ZINC000733895116 651728350 /nfs/dbraw/zinc/72/83/50/651728350.db2.gz QISQAKOPRJAXKY-CYBMUJFWSA-N 1 2 384.885 2.262 20 0 GEADLO COc1ncncc1C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647206799 651735958 /nfs/dbraw/zinc/73/59/58/651735958.db2.gz HHGPEECIJJQOQR-CQSZACIVSA-N 1 2 377.242 2.143 20 0 GEADLO CN(C)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cn1 ZINC000647289135 651741550 /nfs/dbraw/zinc/74/15/50/651741550.db2.gz CVKRVKVDGSFFMB-INIZCTEOSA-N 1 2 380.901 2.136 20 0 GEADLO CC[C@H](NC(=S)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1cccs1 ZINC000734380100 651743703 /nfs/dbraw/zinc/74/37/03/651743703.db2.gz KWEMSZIPQHDGJH-AWEZNQCLSA-N 1 2 389.612 2.172 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000570102704 651747262 /nfs/dbraw/zinc/74/72/62/651747262.db2.gz SAHWMTCSMVDOIM-DGCLKSJQSA-N 1 2 389.253 2.203 20 0 GEADLO Cc1ccc(OCCC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)c(Br)c1 ZINC000647679323 651754186 /nfs/dbraw/zinc/75/41/86/651754186.db2.gz YKPCGTUIKORBNI-HNNXBMFYSA-N 1 2 396.329 2.033 20 0 GEADLO Cc1ccc(OCCC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)c(Br)c1 ZINC000647679323 651754188 /nfs/dbraw/zinc/75/41/88/651754188.db2.gz YKPCGTUIKORBNI-HNNXBMFYSA-N 1 2 396.329 2.033 20 0 GEADLO Cn1nc2cc(Br)ccc2c1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000648767600 651800610 /nfs/dbraw/zinc/80/06/10/651800610.db2.gz ZVMCZTGBWGMIJZ-UHFFFAOYSA-N 1 2 395.301 2.176 20 0 GEADLO Cn1nc2cc(Br)ccc2c1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000648767600 651800615 /nfs/dbraw/zinc/80/06/15/651800615.db2.gz ZVMCZTGBWGMIJZ-UHFFFAOYSA-N 1 2 395.301 2.176 20 0 GEADLO Cc1nc(N2CCN(C(=O)C[C@@H](C)n3cc(Br)cn3)CC2)cc[nH+]1 ZINC000648860974 651806908 /nfs/dbraw/zinc/80/69/08/651806908.db2.gz CYFDRDMZBONOIG-GFCCVEGCSA-N 1 2 393.289 2.044 20 0 GEADLO CO[C@@H]1COC[C@H]1n1cc(C[NH2+]Cc2cc(F)cc(Br)c2)nn1 ZINC000571153344 651813740 /nfs/dbraw/zinc/81/37/40/651813740.db2.gz WCFHUOPUHZBFSX-HUUCEWRRSA-N 1 2 385.237 2.056 20 0 GEADLO O=C(CCn1cc(Br)cn1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000614667249 651831504 /nfs/dbraw/zinc/83/15/04/651831504.db2.gz RZWICGJCBPMACI-UHFFFAOYSA-N 1 2 378.274 2.216 20 0 GEADLO CN(C)[C@H](C(=O)Nc1cnc2c(Br)cccn12)c1c[nH+]cn1C ZINC000614859864 651842294 /nfs/dbraw/zinc/84/22/94/651842294.db2.gz CBYCBMUKAKVPKW-ZDUSSCGKSA-N 1 2 377.246 2.072 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615127744 651850667 /nfs/dbraw/zinc/85/06/67/651850667.db2.gz JTTILYDTHFKRAT-RISCZKNCSA-N 1 2 379.258 2.426 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615127744 651850673 /nfs/dbraw/zinc/85/06/73/651850673.db2.gz JTTILYDTHFKRAT-RISCZKNCSA-N 1 2 379.258 2.426 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000650554254 651863827 /nfs/dbraw/zinc/86/38/27/651863827.db2.gz MIHSDHGZJKAILK-UHFFFAOYSA-N 1 2 390.311 2.484 20 0 GEADLO CO[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1Br ZINC000615557435 651867688 /nfs/dbraw/zinc/86/76/88/651867688.db2.gz HUUFNSKBDQETJQ-RHSMWYFYSA-N 1 2 397.313 2.460 20 0 GEADLO O=C(COc1ccc(Br)cc1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615555979 651867766 /nfs/dbraw/zinc/86/77/66/651867766.db2.gz KHWZYRIFNLJRLG-HNNXBMFYSA-N 1 2 383.286 2.151 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000651222843 651876731 /nfs/dbraw/zinc/87/67/31/651876731.db2.gz MEXBQSOLQCVIAV-JSGCOSHPSA-N 1 2 383.286 2.152 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000651222843 651876734 /nfs/dbraw/zinc/87/67/34/651876734.db2.gz MEXBQSOLQCVIAV-JSGCOSHPSA-N 1 2 383.286 2.152 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H](NS(=O)(=O)c2cnc3ccsc3c2)CCO1 ZINC000572223425 651879609 /nfs/dbraw/zinc/87/96/09/651879609.db2.gz GLGSEVZIPGYLTM-ABAIWWIYSA-N 1 2 378.479 2.228 20 0 GEADLO COC(=O)c1nn(CN2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1Br ZINC000738148280 651882391 /nfs/dbraw/zinc/88/23/91/651882391.db2.gz KGIXKSVHWMHYSE-LBPRGKRZSA-N 1 2 382.262 2.232 20 0 GEADLO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000651634060 651891432 /nfs/dbraw/zinc/89/14/32/651891432.db2.gz MXMJDGLJMOYQSZ-RYUDHWBXSA-N 1 2 399.365 2.416 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)c1cccnc1Cl)[NH+]1CCOCC1 ZINC000738352407 651891735 /nfs/dbraw/zinc/89/17/35/651891735.db2.gz LUEHWYRHHLXXDO-CQSZACIVSA-N 1 2 375.922 2.150 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)C(C)(C)C1 ZINC000651900443 651899564 /nfs/dbraw/zinc/89/95/64/651899564.db2.gz RSFKJCMQGWWRBC-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)C(C)(C)C1 ZINC000651900443 651899568 /nfs/dbraw/zinc/89/95/68/651899568.db2.gz RSFKJCMQGWWRBC-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)C(C)(C)C1 ZINC000651900262 651899849 /nfs/dbraw/zinc/89/98/49/651899849.db2.gz KULNNTJWFDSWAG-UHFFFAOYSA-N 1 2 386.480 2.480 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)C(C)(C)C1 ZINC000651900262 651899850 /nfs/dbraw/zinc/89/98/50/651899850.db2.gz KULNNTJWFDSWAG-UHFFFAOYSA-N 1 2 386.480 2.480 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H]3CCCS3(=O)=O)n2)C1 ZINC000572574693 651900807 /nfs/dbraw/zinc/90/08/07/651900807.db2.gz ADXYNSLTDNZBHS-TZMCWYRMSA-N 1 2 386.543 2.074 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H]3CCCS3(=O)=O)n2)C1 ZINC000572574693 651900811 /nfs/dbraw/zinc/90/08/11/651900811.db2.gz ADXYNSLTDNZBHS-TZMCWYRMSA-N 1 2 386.543 2.074 20 0 GEADLO Cc1c(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cnn1C ZINC000572577184 651900822 /nfs/dbraw/zinc/90/08/22/651900822.db2.gz OKWLLWCXYZOMHN-INIZCTEOSA-N 1 2 382.917 2.497 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@](C)(CO)c1ccc(Br)cc1 ZINC000616829031 651911319 /nfs/dbraw/zinc/91/13/19/651911319.db2.gz IJKXTKYXQCBPCG-CKEIUWERSA-N 1 2 378.270 2.310 20 0 GEADLO C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O)n1cc[nH+]c1 ZINC000572966788 651925962 /nfs/dbraw/zinc/92/59/62/651925962.db2.gz HKZQZIHJKWAGSS-SMDDNHRTSA-N 1 2 377.242 2.128 20 0 GEADLO O=C(NC[C@@H]1CCCCC1(F)F)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000573418495 651953891 /nfs/dbraw/zinc/95/38/91/651953891.db2.gz BRRXKNMFCOJPFF-GOEBONIOSA-N 1 2 377.501 2.319 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617721210 651966087 /nfs/dbraw/zinc/96/60/87/651966087.db2.gz MOZZNMIINGOBNS-GHMZBOCLSA-N 1 2 389.265 2.436 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617721210 651966093 /nfs/dbraw/zinc/96/60/93/651966093.db2.gz MOZZNMIINGOBNS-GHMZBOCLSA-N 1 2 389.265 2.436 20 0 GEADLO CO[C@H](C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1ccccc1Br ZINC000617721332 651966359 /nfs/dbraw/zinc/96/63/59/651966359.db2.gz NXUSCMPSEZGYLP-XEZPLFJOSA-N 1 2 385.302 2.362 20 0 GEADLO CO[C@H](C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1ccccc1Br ZINC000617721332 651966364 /nfs/dbraw/zinc/96/63/64/651966364.db2.gz NXUSCMPSEZGYLP-XEZPLFJOSA-N 1 2 385.302 2.362 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2[nH]nc3ccc(Br)cc32)[C@@H](C)CO1 ZINC000617732336 651967896 /nfs/dbraw/zinc/96/78/96/651967896.db2.gz DJIZXCMGMRDCGI-WDEREUQCSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2[nH]nc3ccc(Br)cc32)[C@@H](C)CO1 ZINC000617732336 651967901 /nfs/dbraw/zinc/96/79/01/651967901.db2.gz DJIZXCMGMRDCGI-WDEREUQCSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000617732334 651968345 /nfs/dbraw/zinc/96/83/45/651968345.db2.gz DJIZXCMGMRDCGI-MNOVXSKESA-N 1 2 381.274 2.164 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000617732334 651968355 /nfs/dbraw/zinc/96/83/55/651968355.db2.gz DJIZXCMGMRDCGI-MNOVXSKESA-N 1 2 381.274 2.164 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000574051457 651997453 /nfs/dbraw/zinc/99/74/53/651997453.db2.gz NXEOJOJHMPODEK-UHFFFAOYSA-N 1 2 382.302 2.103 20 0 GEADLO NC(=O)c1ccc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)s1 ZINC000574136993 652003140 /nfs/dbraw/zinc/00/31/40/652003140.db2.gz BYTASOPJKROAAD-AWEZNQCLSA-N 1 2 375.519 2.194 20 0 GEADLO NC(=O)c1ccc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)s1 ZINC000574136993 652003148 /nfs/dbraw/zinc/00/31/48/652003148.db2.gz BYTASOPJKROAAD-AWEZNQCLSA-N 1 2 375.519 2.194 20 0 GEADLO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)C(F)F ZINC000574184621 652006743 /nfs/dbraw/zinc/00/67/43/652006743.db2.gz MNFVVFJIKSTCAE-HZPDHXFCSA-N 1 2 375.485 2.113 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000574218203 652008868 /nfs/dbraw/zinc/00/88/68/652008868.db2.gz UVMQZNQZJFKEBL-NSHDSACASA-N 1 2 379.258 2.448 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000574218203 652008874 /nfs/dbraw/zinc/00/88/74/652008874.db2.gz UVMQZNQZJFKEBL-NSHDSACASA-N 1 2 379.258 2.448 20 0 GEADLO Cc1ccc(Br)cc1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000655829863 652012792 /nfs/dbraw/zinc/01/27/92/652012792.db2.gz AWCQRJVVQPJBPU-IYBDPMFKSA-N 1 2 382.302 2.420 20 0 GEADLO Cc1ccc(Br)cc1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000655829863 652012799 /nfs/dbraw/zinc/01/27/99/652012799.db2.gz AWCQRJVVQPJBPU-IYBDPMFKSA-N 1 2 382.302 2.420 20 0 GEADLO COc1ccc(C[C@@H](CO)CNc2nc[nH+]c(N)c2OC)cc1Br ZINC000656197286 652025631 /nfs/dbraw/zinc/02/56/31/652025631.db2.gz XKODNJRJJFMSTP-LLVKDONJSA-N 1 2 397.273 2.102 20 0 GEADLO COc1ccc(C[C@@H](CO)CNc2[nH+]cnc(N)c2OC)cc1Br ZINC000656197286 652025633 /nfs/dbraw/zinc/02/56/33/652025633.db2.gz XKODNJRJJFMSTP-LLVKDONJSA-N 1 2 397.273 2.102 20 0 GEADLO CN(Cc1oc2ccccc2c1Br)C[C@H](O)C[NH+]1CCOCC1 ZINC000656252621 652028566 /nfs/dbraw/zinc/02/85/66/652028566.db2.gz CUDYTFBRGZOLTQ-ZDUSSCGKSA-N 1 2 383.286 2.320 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[N@@H+]3C[C@@H]4C[C@H]3CS4)nc2c1 ZINC000574656963 652034234 /nfs/dbraw/zinc/03/42/34/652034234.db2.gz ZCRPRDFIDDSXEU-STQMWFEESA-N 1 2 380.539 2.283 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[N@H+]3C[C@@H]4C[C@H]3CS4)nc2c1 ZINC000574656963 652034237 /nfs/dbraw/zinc/03/42/37/652034237.db2.gz ZCRPRDFIDDSXEU-STQMWFEESA-N 1 2 380.539 2.283 20 0 GEADLO COC(=O)C[N@@H+](Cc1cccc(Br)c1)C[C@H]1CNc2ccnn2C1 ZINC000619266095 652050633 /nfs/dbraw/zinc/05/06/33/652050633.db2.gz LUVHMSPSBUQIPJ-CQSZACIVSA-N 1 2 393.285 2.363 20 0 GEADLO COC(=O)C[N@H+](Cc1cccc(Br)c1)C[C@H]1CNc2ccnn2C1 ZINC000619266095 652050643 /nfs/dbraw/zinc/05/06/43/652050643.db2.gz LUVHMSPSBUQIPJ-CQSZACIVSA-N 1 2 393.285 2.363 20 0 GEADLO CO[C@H](CS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCOC1 ZINC000656728147 652051138 /nfs/dbraw/zinc/05/11/38/652051138.db2.gz KVPQJLJYBOIQSY-BLLLJJGKSA-N 1 2 385.873 2.319 20 0 GEADLO CO[C@@H](CS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCOC1 ZINC000656728152 652051260 /nfs/dbraw/zinc/05/12/60/652051260.db2.gz KVPQJLJYBOIQSY-WBMJQRKESA-N 1 2 385.873 2.319 20 0 GEADLO O=C1N[C@@H](c2ccccc2Br)C(=O)N1[C@@H]1CCn2cc[nH+]c2C1 ZINC000656812679 652055837 /nfs/dbraw/zinc/05/58/37/652055837.db2.gz RHOLSGCHYZAZGU-YGRLFVJLSA-N 1 2 375.226 2.254 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656950008 652073346 /nfs/dbraw/zinc/07/33/46/652073346.db2.gz XSKGUDWACOBYBF-WDEREUQCSA-N 1 2 379.295 2.442 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000656950008 652073348 /nfs/dbraw/zinc/07/33/48/652073348.db2.gz XSKGUDWACOBYBF-WDEREUQCSA-N 1 2 379.295 2.442 20 0 GEADLO O=S(=O)(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccc(O)cc1 ZINC000575743078 652074138 /nfs/dbraw/zinc/07/41/38/652074138.db2.gz PEPFZICHHJGYOM-MRXNPFEDSA-N 1 2 378.519 2.288 20 0 GEADLO O=S(=O)(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ccc(O)cc1 ZINC000575743078 652074148 /nfs/dbraw/zinc/07/41/48/652074148.db2.gz PEPFZICHHJGYOM-MRXNPFEDSA-N 1 2 378.519 2.288 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2occc2Br)cn1 ZINC000576258119 652100395 /nfs/dbraw/zinc/10/03/95/652100395.db2.gz SQWDJRODXTXNGY-UHFFFAOYSA-N 1 2 378.230 2.315 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000576289394 652103706 /nfs/dbraw/zinc/10/37/06/652103706.db2.gz CFRMANOLCLYVEX-LBPRGKRZSA-N 1 2 393.285 2.287 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000576289394 652103710 /nfs/dbraw/zinc/10/37/10/652103710.db2.gz CFRMANOLCLYVEX-LBPRGKRZSA-N 1 2 393.285 2.287 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000746472870 652109803 /nfs/dbraw/zinc/10/98/03/652109803.db2.gz HGBBYYYXNQUXMK-QHCPKHFHSA-N 1 2 375.325 2.137 20 0 GEADLO NS(=O)(=O)c1sc(Cl)cc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620783605 652121525 /nfs/dbraw/zinc/12/15/25/652121525.db2.gz QMYMBNZUOHCNHS-LBPRGKRZSA-N 1 2 399.925 2.053 20 0 GEADLO NS(=O)(=O)c1sc(Cl)cc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000620783605 652121531 /nfs/dbraw/zinc/12/15/31/652121531.db2.gz QMYMBNZUOHCNHS-LBPRGKRZSA-N 1 2 399.925 2.053 20 0 GEADLO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621356868 652151372 /nfs/dbraw/zinc/15/13/72/652151372.db2.gz ZXKCZJVGYOETEI-CQSZACIVSA-N 1 2 378.416 2.045 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC(Cc2ccsc2)C1 ZINC000621442240 652155035 /nfs/dbraw/zinc/15/50/35/652155035.db2.gz SDAPLIPUQBJYJL-SFHVURJKSA-N 1 2 381.567 2.140 20 0 GEADLO C[NH+]1CCN(Cc2ccc(NC(=O)CSc3n[nH]c(=S)s3)cc2)CC1 ZINC000747359974 652159736 /nfs/dbraw/zinc/15/97/36/652159736.db2.gz YFRNMEYRQRMGJP-UHFFFAOYSA-N 1 2 395.579 2.305 20 0 GEADLO Fc1cncc(Br)c1CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000657417853 652163978 /nfs/dbraw/zinc/16/39/78/652163978.db2.gz AHYVXWHWEMPMPC-UHFFFAOYSA-N 1 2 384.253 2.124 20 0 GEADLO O=S(=O)(NCC[NH2+]Cc1c(F)cncc1Br)c1cccs1 ZINC000657412731 652164068 /nfs/dbraw/zinc/16/40/68/652164068.db2.gz CVOHNGPHNSFXMR-UHFFFAOYSA-N 1 2 394.291 2.113 20 0 GEADLO Cc1nc(Cl)sc1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000748543200 652206451 /nfs/dbraw/zinc/20/64/51/652206451.db2.gz YOWCLHAFHOWEKU-LBPRGKRZSA-N 1 2 379.917 2.440 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cscc1Br)C2 ZINC000578018316 652236282 /nfs/dbraw/zinc/23/62/82/652236282.db2.gz IPFHCZDNPKLYAP-JTQLQIEISA-N 1 2 384.299 2.295 20 0 GEADLO C[C@@H]1[C@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CCS1(=O)=O ZINC000623720049 652256424 /nfs/dbraw/zinc/25/64/24/652256424.db2.gz TWDVNPQFKGCBTR-NOZJJQNGSA-N 1 2 375.281 2.239 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000658379925 652260510 /nfs/dbraw/zinc/26/05/10/652260510.db2.gz ATULTDBKCTXPMU-CYBMUJFWSA-N 1 2 383.258 2.051 20 0 GEADLO Cc1ncc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)n1C ZINC000624795931 652303846 /nfs/dbraw/zinc/30/38/46/652303846.db2.gz BXSRFBKMLZYSMP-INIZCTEOSA-N 1 2 382.917 2.497 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1F)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000579129212 652318916 /nfs/dbraw/zinc/31/89/16/652318916.db2.gz INTZHKVTNLFWFL-CQSZACIVSA-N 1 2 376.881 2.355 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)C[C@@H]1C ZINC000625085539 652326155 /nfs/dbraw/zinc/32/61/55/652326155.db2.gz MHKYWIRFHXAIPD-NSHDSACASA-N 1 2 382.404 2.309 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)C[C@@H]1C ZINC000625085539 652326159 /nfs/dbraw/zinc/32/61/59/652326159.db2.gz MHKYWIRFHXAIPD-NSHDSACASA-N 1 2 382.404 2.309 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccncc1Br ZINC000625090228 652326567 /nfs/dbraw/zinc/32/65/67/652326567.db2.gz NWUVEMMXKNYQJG-ZDUSSCGKSA-N 1 2 376.320 2.138 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccncc1Br ZINC000625090228 652326570 /nfs/dbraw/zinc/32/65/70/652326570.db2.gz NWUVEMMXKNYQJG-ZDUSSCGKSA-N 1 2 376.320 2.138 20 0 GEADLO C[NH+](C)CCn1ccc(C(=O)NCc2nc3cccc(Br)c3[nH]2)n1 ZINC000579374681 652334740 /nfs/dbraw/zinc/33/47/40/652334740.db2.gz NWQOWPWAMQYCSX-UHFFFAOYSA-N 1 2 391.273 2.014 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC([NH+]2CCOCC2)CC1 ZINC000625606651 652361055 /nfs/dbraw/zinc/36/10/55/652361055.db2.gz ULLDXCXQIXNTPQ-UHFFFAOYSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCC([NH+]2CCOCC2)CC1 ZINC000625608058 652361581 /nfs/dbraw/zinc/36/15/81/652361581.db2.gz WTBPMHWLXDVMIZ-UHFFFAOYSA-N 1 2 384.445 2.252 20 0 GEADLO C[C@H](O)CNc1cc(N2CCC(n3cc(Br)cn3)CC2)nc[nH+]1 ZINC000580047735 652364915 /nfs/dbraw/zinc/36/49/15/652364915.db2.gz QVKWNCDVQPHMEG-NSHDSACASA-N 1 2 381.278 2.070 20 0 GEADLO C[C@H](O)CNc1cc(N2CCC(n3cc(Br)cn3)CC2)[nH+]cn1 ZINC000580047735 652364917 /nfs/dbraw/zinc/36/49/17/652364917.db2.gz QVKWNCDVQPHMEG-NSHDSACASA-N 1 2 381.278 2.070 20 0 GEADLO CN(C)C(=O)C1CC[NH+](CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000659817916 652366371 /nfs/dbraw/zinc/36/63/71/652366371.db2.gz RHLSIAQYEVWTAW-UHFFFAOYSA-N 1 2 393.285 2.308 20 0 GEADLO O=S(=O)(NCC[NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc(Cl)s1 ZINC000752101565 652378823 /nfs/dbraw/zinc/37/88/23/652378823.db2.gz NNTDIJMKAPHNOW-UHFFFAOYSA-N 1 2 397.913 2.050 20 0 GEADLO Cc1cc(C)c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(C)c1Br ZINC000626026803 652379965 /nfs/dbraw/zinc/37/99/65/652379965.db2.gz ZRJJDONNYJGIRF-HNNXBMFYSA-N 1 2 399.329 2.139 20 0 GEADLO CCN1OC[C@H]([NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1=O ZINC000660057886 652380726 /nfs/dbraw/zinc/38/07/26/652380726.db2.gz ZYXVTGDINIKGFK-HNNXBMFYSA-N 1 2 396.285 2.262 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000626168684 652382996 /nfs/dbraw/zinc/38/29/96/652382996.db2.gz XEARZQVUIAPLFK-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000626168684 652382997 /nfs/dbraw/zinc/38/29/97/652382997.db2.gz XEARZQVUIAPLFK-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000626169495 652383123 /nfs/dbraw/zinc/38/31/23/652383123.db2.gz MFFWYBLBDCRXHR-RYUDHWBXSA-N 1 2 391.896 2.067 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000626169495 652383126 /nfs/dbraw/zinc/38/31/26/652383126.db2.gz MFFWYBLBDCRXHR-RYUDHWBXSA-N 1 2 391.896 2.067 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000626169763 652383765 /nfs/dbraw/zinc/38/37/65/652383765.db2.gz RMZBRDZXJRKPDI-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000626169763 652383768 /nfs/dbraw/zinc/38/37/68/652383768.db2.gz RMZBRDZXJRKPDI-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1ccc(Br)cc1 ZINC000626183410 652384779 /nfs/dbraw/zinc/38/47/79/652384779.db2.gz FSQLAOKNCSAECX-QGZVFWFLSA-N 1 2 398.301 2.186 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1ccc(Br)cc1 ZINC000626183410 652384782 /nfs/dbraw/zinc/38/47/82/652384782.db2.gz FSQLAOKNCSAECX-QGZVFWFLSA-N 1 2 398.301 2.186 20 0 GEADLO CCSc1ccc(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)c(Br)c1 ZINC000626225555 652386322 /nfs/dbraw/zinc/38/63/22/652386322.db2.gz AQMVYUREVZDPQC-AWEZNQCLSA-N 1 2 398.370 2.220 20 0 GEADLO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000580958120 652398369 /nfs/dbraw/zinc/39/83/69/652398369.db2.gz WJMGEFPPQZCWMH-CABCVRRESA-N 1 2 392.297 2.175 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000660345963 652399233 /nfs/dbraw/zinc/39/92/33/652399233.db2.gz QEEZSEAVNAWNMI-FZMZJTMJSA-N 1 2 376.284 2.047 20 0 GEADLO COCCO[C@@H]1CC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660370138 652399914 /nfs/dbraw/zinc/39/99/14/652399914.db2.gz BSHGRUMLKYWWBU-GFCCVEGCSA-N 1 2 382.258 2.245 20 0 GEADLO COCCO[C@@H]1CC[N@@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660370138 652399918 /nfs/dbraw/zinc/39/99/18/652399918.db2.gz BSHGRUMLKYWWBU-GFCCVEGCSA-N 1 2 382.258 2.245 20 0 GEADLO O=C(NCc1cc(F)cc(Br)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660370085 652399936 /nfs/dbraw/zinc/39/99/36/652399936.db2.gz GXUWEZAEGJPVAL-HNNXBMFYSA-N 1 2 386.265 2.204 20 0 GEADLO O=C(NCCc1ccccc1Br)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660510418 652405319 /nfs/dbraw/zinc/40/53/19/652405319.db2.gz AGQWYXPWXWLEOX-HNNXBMFYSA-N 1 2 382.302 2.108 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660515037 652405609 /nfs/dbraw/zinc/40/56/09/652405609.db2.gz SOFUSZBKDFVRFR-OAHLLOKOSA-N 1 2 398.301 2.074 20 0 GEADLO Cc1ccc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)c(=O)n1C ZINC000581221017 652406533 /nfs/dbraw/zinc/40/65/33/652406533.db2.gz TWMLSDYMANEXDG-UHFFFAOYSA-N 1 2 388.269 2.327 20 0 GEADLO CCN1OC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)C1=O ZINC000660597058 652407910 /nfs/dbraw/zinc/40/79/10/652407910.db2.gz QIWUKRPARWLFMF-FZMZJTMJSA-N 1 2 387.274 2.023 20 0 GEADLO O=C(NCCCc1cccc(Br)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660622445 652408260 /nfs/dbraw/zinc/40/82/60/652408260.db2.gz VLIHXZZQWLUGPV-KRWDZBQOSA-N 1 2 396.329 2.498 20 0 GEADLO O=C(NCCc1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660679997 652409433 /nfs/dbraw/zinc/40/94/33/652409433.db2.gz AHNIRIZCVSSMOG-MRXNPFEDSA-N 1 2 382.302 2.108 20 0 GEADLO C[N@H+](CCO)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000753528076 652410186 /nfs/dbraw/zinc/41/01/86/652410186.db2.gz WRURNICCEVPJRO-UHFFFAOYSA-N 1 2 382.345 2.010 20 0 GEADLO C[N@@H+](CCO)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000753528076 652410187 /nfs/dbraw/zinc/41/01/87/652410187.db2.gz WRURNICCEVPJRO-UHFFFAOYSA-N 1 2 382.345 2.010 20 0 GEADLO O=S(=O)(CC[N@@H+]1CC[C@H](Cn2ccnn2)C1)c1cc(Cl)ccc1Cl ZINC000661145458 652420642 /nfs/dbraw/zinc/42/06/42/652420642.db2.gz CCIMPBRIFBSEBN-LBPRGKRZSA-N 1 2 389.308 2.381 20 0 GEADLO O=S(=O)(CC[N@H+]1CC[C@H](Cn2ccnn2)C1)c1cc(Cl)ccc1Cl ZINC000661145458 652420644 /nfs/dbraw/zinc/42/06/44/652420644.db2.gz CCIMPBRIFBSEBN-LBPRGKRZSA-N 1 2 389.308 2.381 20 0 GEADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(Br)c[nH]2)n1C1CC1 ZINC000581672907 652421220 /nfs/dbraw/zinc/42/12/20/652421220.db2.gz GWQFUQGERNKESA-UHFFFAOYSA-N 1 2 395.305 2.139 20 0 GEADLO CS(=O)(=O)[C@@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2)C[C@H]1C(F)(F)F ZINC000661186779 652422736 /nfs/dbraw/zinc/42/27/36/652422736.db2.gz DUFGYAVIZOCMCI-CHWSQXEVSA-N 1 2 382.379 2.062 20 0 GEADLO CS(=O)(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)C[C@H]1C(F)(F)F ZINC000661186779 652422738 /nfs/dbraw/zinc/42/27/38/652422738.db2.gz DUFGYAVIZOCMCI-CHWSQXEVSA-N 1 2 382.379 2.062 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)s1 ZINC000582059156 652433439 /nfs/dbraw/zinc/43/34/39/652433439.db2.gz WFSWUVMQEAOMGS-AWEZNQCLSA-N 1 2 388.555 2.016 20 0 GEADLO O=Cc1cc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cs1 ZINC000754565465 652438729 /nfs/dbraw/zinc/43/87/29/652438729.db2.gz TZNWZRWVPPQTHA-UHFFFAOYSA-N 1 2 378.475 2.123 20 0 GEADLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@@]1(C)CO ZINC000662143108 652448695 /nfs/dbraw/zinc/44/86/95/652448695.db2.gz PIVZCSABDHPARQ-DOMZBBRYSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@@]1(C)CO ZINC000662143108 652448696 /nfs/dbraw/zinc/44/86/96/652448696.db2.gz PIVZCSABDHPARQ-DOMZBBRYSA-N 1 2 376.316 2.173 20 0 GEADLO O=C(c1cc(Br)c(F)cc1O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628122079 652452154 /nfs/dbraw/zinc/45/21/54/652452154.db2.gz JDFVAHZBFXHAAO-UHFFFAOYSA-N 1 2 387.249 2.231 20 0 GEADLO O[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC000628137533 652452807 /nfs/dbraw/zinc/45/28/07/652452807.db2.gz JNSNVFDCNMZZEO-HNNXBMFYSA-N 1 2 375.296 2.271 20 0 GEADLO O[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC000628137533 652452809 /nfs/dbraw/zinc/45/28/09/652452809.db2.gz JNSNVFDCNMZZEO-HNNXBMFYSA-N 1 2 375.296 2.271 20 0 GEADLO CCN(CCC[N@@H+]1CCc2sc(S(N)(=O)=O)cc2C1)CC(F)(F)F ZINC000662221461 652453272 /nfs/dbraw/zinc/45/32/72/652453272.db2.gz HBFNSPHMXBLHJO-UHFFFAOYSA-N 1 2 385.477 2.028 20 0 GEADLO CCN(CCC[N@H+]1CCc2sc(S(N)(=O)=O)cc2C1)CC(F)(F)F ZINC000662221461 652453277 /nfs/dbraw/zinc/45/32/77/652453277.db2.gz HBFNSPHMXBLHJO-UHFFFAOYSA-N 1 2 385.477 2.028 20 0 GEADLO COc1cncc(/C=C/CC[N@@H+]2CCc3sc(S(N)(=O)=O)cc3C2)c1 ZINC000662228080 652453898 /nfs/dbraw/zinc/45/38/98/652453898.db2.gz ZOWDGJAWMLAIIV-DUXPYHPUSA-N 1 2 379.507 2.261 20 0 GEADLO COc1cncc(/C=C/CC[N@H+]2CCc3sc(S(N)(=O)=O)cc3C2)c1 ZINC000662228080 652453902 /nfs/dbraw/zinc/45/39/02/652453902.db2.gz ZOWDGJAWMLAIIV-DUXPYHPUSA-N 1 2 379.507 2.261 20 0 GEADLO O=C(C[N@@H+](CCO)Cc1cc(Br)cs1)NCc1ccccn1 ZINC000755179025 652459455 /nfs/dbraw/zinc/45/94/55/652459455.db2.gz FDUXNPUZLBDJRH-UHFFFAOYSA-N 1 2 384.299 2.016 20 0 GEADLO O=C(C[N@H+](CCO)Cc1cc(Br)cs1)NCc1ccccn1 ZINC000755179025 652459460 /nfs/dbraw/zinc/45/94/60/652459460.db2.gz FDUXNPUZLBDJRH-UHFFFAOYSA-N 1 2 384.299 2.016 20 0 GEADLO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1cscn1 ZINC000582736857 652460966 /nfs/dbraw/zinc/46/09/66/652460966.db2.gz KJHMPYISZZJPRF-QMMMGPOBSA-N 1 2 376.301 2.404 20 0 GEADLO O=C(c1ccc(=O)[nH]n1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000583015629 652471141 /nfs/dbraw/zinc/47/11/41/652471141.db2.gz AHGHYYWYDPSXDZ-UHFFFAOYSA-N 1 2 392.213 2.077 20 0 GEADLO COc1cccc(-c2nc(CN3CC[NH+](CC[S@@](C)=O)CC3)cs2)c1 ZINC000755951009 652481944 /nfs/dbraw/zinc/48/19/44/652481944.db2.gz ZBEPTFDBKWUVAX-RUZDIDTESA-N 1 2 379.551 2.315 20 0 GEADLO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755951656 652482153 /nfs/dbraw/zinc/48/21/53/652482153.db2.gz FCAVYBYOAXNYPO-OYLFLEFRSA-N 1 2 393.336 2.204 20 0 GEADLO Cn1cc(I)c(C[NH2+]CCC(=O)Nc2ccccc2)n1 ZINC000583807835 652498020 /nfs/dbraw/zinc/49/80/20/652498020.db2.gz CZVHCWOTVZPKMB-UHFFFAOYSA-N 1 2 384.221 2.143 20 0 GEADLO O[C@@H](C[N@@H+]1CCc2c(F)ccc(Br)c2C1)CC1(O)CCOCC1 ZINC000630046712 652501366 /nfs/dbraw/zinc/50/13/66/652501366.db2.gz NIFUPEZBTRUEIQ-GFCCVEGCSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@@H](C[N@H+]1CCc2c(F)ccc(Br)c2C1)CC1(O)CCOCC1 ZINC000630046712 652501368 /nfs/dbraw/zinc/50/13/68/652501368.db2.gz NIFUPEZBTRUEIQ-GFCCVEGCSA-N 1 2 388.277 2.239 20 0 GEADLO Cc1nc(N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c(Br)c(C)[nH+]1 ZINC000663669249 652507735 /nfs/dbraw/zinc/50/77/35/652507735.db2.gz VRKZAEWBPXWJMP-LLVKDONJSA-N 1 2 379.262 2.197 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2cc(Br)cs2)[C@@H](C)CO1 ZINC000663703256 652509343 /nfs/dbraw/zinc/50/93/43/652509343.db2.gz GVZKKSFVZKHPNA-QWRGUYRKSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2cc(Br)cs2)[C@@H](C)CO1 ZINC000663703256 652509345 /nfs/dbraw/zinc/50/93/45/652509345.db2.gz GVZKKSFVZKHPNA-QWRGUYRKSA-N 1 2 376.320 2.419 20 0 GEADLO Cc1nc(NC[C@H]2CCCCN2S(C)(=O)=O)c(Br)c(C)[nH+]1 ZINC000663906020 652515846 /nfs/dbraw/zinc/51/58/46/652515846.db2.gz HEKIYBJYHPUAGI-LLVKDONJSA-N 1 2 377.308 2.082 20 0 GEADLO Cc1c(C(=O)NCc2c[nH+]cn2C)nnn1-c1cccc(Br)c1 ZINC000584501175 652523268 /nfs/dbraw/zinc/52/32/68/652523268.db2.gz PSTPNVDQRWRKLO-UHFFFAOYSA-N 1 2 375.230 2.002 20 0 GEADLO C[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CS1(=O)=O ZINC000664292967 652525939 /nfs/dbraw/zinc/52/59/39/652525939.db2.gz RUDJAXBSFDOWJV-KCXAZCMYSA-N 1 2 387.933 2.208 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000586758357 652539702 /nfs/dbraw/zinc/53/97/02/652539702.db2.gz HRVBIWZKFBNXRI-JTQLQIEISA-N 1 2 381.281 2.153 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000586758357 652539707 /nfs/dbraw/zinc/53/97/07/652539707.db2.gz HRVBIWZKFBNXRI-JTQLQIEISA-N 1 2 381.281 2.153 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1ccsc1Br ZINC000664837421 652540497 /nfs/dbraw/zinc/54/04/97/652540497.db2.gz HHQDKPUIYXWCFU-MNOVXSKESA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1ccsc1Br ZINC000664837421 652540501 /nfs/dbraw/zinc/54/05/01/652540501.db2.gz HHQDKPUIYXWCFU-MNOVXSKESA-N 1 2 376.320 2.419 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCSCc1ccnc(Cl)c1 ZINC000758455970 652542703 /nfs/dbraw/zinc/54/27/03/652542703.db2.gz YABXSEKSNOINJA-UHFFFAOYSA-N 1 2 386.949 2.378 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCSCc1ccnc(Cl)c1 ZINC000758455970 652542705 /nfs/dbraw/zinc/54/27/05/652542705.db2.gz YABXSEKSNOINJA-UHFFFAOYSA-N 1 2 386.949 2.378 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000759122361 652563977 /nfs/dbraw/zinc/56/39/77/652563977.db2.gz AROVWTUBMTYNSD-DOMZBBRYSA-N 1 2 381.325 2.431 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000759122361 652563981 /nfs/dbraw/zinc/56/39/81/652563981.db2.gz AROVWTUBMTYNSD-DOMZBBRYSA-N 1 2 381.325 2.431 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000589721814 652571685 /nfs/dbraw/zinc/57/16/85/652571685.db2.gz QAXPMTMMDPSJSL-CYBMUJFWSA-N 1 2 378.226 2.177 20 0 GEADLO COc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000632681204 652574638 /nfs/dbraw/zinc/57/46/38/652574638.db2.gz OGLRHYVNCATHBB-UHFFFAOYSA-N 1 2 379.507 2.122 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc(Br)c3nccn3c2)C[C@H](C)O1 ZINC000632791414 652580024 /nfs/dbraw/zinc/58/00/24/652580024.db2.gz FNSRRHBGYDDAAQ-BETUJISGSA-N 1 2 395.301 2.278 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc(Br)c3nccn3c2)C[C@H](C)O1 ZINC000632791414 652580029 /nfs/dbraw/zinc/58/00/29/652580029.db2.gz FNSRRHBGYDDAAQ-BETUJISGSA-N 1 2 395.301 2.278 20 0 GEADLO C[C@@]1(c2ccc(Br)cc2)NC(=O)N(C[NH+]2CCC(C)(O)CC2)C1=O ZINC000759745755 652585006 /nfs/dbraw/zinc/58/50/06/652585006.db2.gz IBSCDONMNYZYLQ-KRWDZBQOSA-N 1 2 396.285 2.020 20 0 GEADLO CNc1cc2c(nn1)CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000592113343 652587202 /nfs/dbraw/zinc/58/72/02/652587202.db2.gz OYGZUDBPWJUAJX-CYBMUJFWSA-N 1 2 383.279 2.623 20 0 GEADLO CNc1cc2c(nn1)CC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000592113343 652587205 /nfs/dbraw/zinc/58/72/05/652587205.db2.gz OYGZUDBPWJUAJX-CYBMUJFWSA-N 1 2 383.279 2.623 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000592205824 652591403 /nfs/dbraw/zinc/59/14/03/652591403.db2.gz XTCPIOXLXOLEAO-GXSJLCMTSA-N 1 2 386.235 2.399 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000592205824 652591407 /nfs/dbraw/zinc/59/14/07/652591407.db2.gz XTCPIOXLXOLEAO-GXSJLCMTSA-N 1 2 386.235 2.399 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000759949475 652592116 /nfs/dbraw/zinc/59/21/16/652592116.db2.gz CUJVNZYFKDMQLL-CYBMUJFWSA-N 1 2 389.901 2.257 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000759949475 652592120 /nfs/dbraw/zinc/59/21/20/652592120.db2.gz CUJVNZYFKDMQLL-CYBMUJFWSA-N 1 2 389.901 2.257 20 0 GEADLO O=C([C@H]1CCC[N@@H+](Cc2c(F)cncc2Br)C1)N1CCOCC1 ZINC000667493589 652608236 /nfs/dbraw/zinc/60/82/36/652608236.db2.gz XQFBGRVGYRJBDQ-LBPRGKRZSA-N 1 2 386.265 2.054 20 0 GEADLO O=C([C@H]1CCC[N@H+](Cc2c(F)cncc2Br)C1)N1CCOCC1 ZINC000667493589 652608240 /nfs/dbraw/zinc/60/82/40/652608240.db2.gz XQFBGRVGYRJBDQ-LBPRGKRZSA-N 1 2 386.265 2.054 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)nc1Cl ZINC000760431645 652609353 /nfs/dbraw/zinc/60/93/53/652609353.db2.gz WWBRJCJAONBMBM-JSGCOSHPSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)nc1Cl ZINC000760431645 652609354 /nfs/dbraw/zinc/60/93/54/652609354.db2.gz WWBRJCJAONBMBM-JSGCOSHPSA-N 1 2 389.308 2.451 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633767263 652612633 /nfs/dbraw/zinc/61/26/33/652612633.db2.gz UNCZOIKVCHYOJE-BXUZGUMPSA-N 1 2 380.432 2.105 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000667561526 652613324 /nfs/dbraw/zinc/61/33/24/652613324.db2.gz ZPEPZJXJOIVNBB-SNVBAGLBSA-N 1 2 376.404 2.279 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000667561526 652613327 /nfs/dbraw/zinc/61/33/27/652613327.db2.gz ZPEPZJXJOIVNBB-SNVBAGLBSA-N 1 2 376.404 2.279 20 0 GEADLO C[C@H](NC(=O)c1nn(C(C)(C)C)cc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000668319416 652637900 /nfs/dbraw/zinc/63/79/00/652637900.db2.gz HVUDPUCRIAUJRI-RYUDHWBXSA-N 1 2 387.322 2.240 20 0 GEADLO CCOCCN1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634645446 652646841 /nfs/dbraw/zinc/64/68/41/652646841.db2.gz NDSGIKTVCMNVMH-MRXNPFEDSA-N 1 2 377.312 2.387 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[NH+]1CCC(O)(CO)CC1 ZINC000668550132 652647313 /nfs/dbraw/zinc/64/73/13/652647313.db2.gz JZLNBUWYFCTFFN-UHFFFAOYSA-N 1 2 388.302 2.184 20 0 GEADLO O=S(=O)(CCc1ccccc1Br)N[C@H]1CCn2c[nH+]cc2C1 ZINC000634661625 652652584 /nfs/dbraw/zinc/65/25/84/652652584.db2.gz XKRKMUMOTPTKQC-ZDUSSCGKSA-N 1 2 384.299 2.123 20 0 GEADLO C[C@@H](CNC(=O)c1cc(Br)cc2c1OCCO2)Cn1cc[nH+]c1 ZINC000669019827 652681697 /nfs/dbraw/zinc/68/16/97/652681697.db2.gz YTWFVQVMRJMBPG-NSHDSACASA-N 1 2 380.242 2.483 20 0 GEADLO CN1C(=O)[C@H]([NH2+]Cc2ncc(I)s2)Cc2ccccc21 ZINC000594962419 652698642 /nfs/dbraw/zinc/69/86/42/652698642.db2.gz DLZOSKDGHHHCMJ-SNVBAGLBSA-N 1 2 399.257 2.425 20 0 GEADLO CC1=CC[N@H+](CCNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000762700250 652713946 /nfs/dbraw/zinc/71/39/46/652713946.db2.gz MFKKYQGHXPBLHF-UHFFFAOYSA-N 1 2 376.400 2.362 20 0 GEADLO CC1=CC[N@@H+](CCNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000762700250 652713951 /nfs/dbraw/zinc/71/39/51/652713951.db2.gz MFKKYQGHXPBLHF-UHFFFAOYSA-N 1 2 376.400 2.362 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCc1ccc(I)cc1 ZINC000595466736 652729054 /nfs/dbraw/zinc/72/90/54/652729054.db2.gz RTYCCKWSGFXPMJ-LBPRGKRZSA-N 1 2 398.248 2.418 20 0 GEADLO CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459333 652730705 /nfs/dbraw/zinc/73/07/05/652730705.db2.gz AUMZFIDMTZMPAI-TUAOUCFPSA-N 1 2 378.420 2.193 20 0 GEADLO O=C(CCSc1ccc(Br)cc1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670408634 652746810 /nfs/dbraw/zinc/74/68/10/652746810.db2.gz SZHNWRAXBNYVIW-HNNXBMFYSA-N 1 2 398.370 2.437 20 0 GEADLO O=C(CCSc1ccc(Br)cc1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670408634 652746813 /nfs/dbraw/zinc/74/68/13/652746813.db2.gz SZHNWRAXBNYVIW-HNNXBMFYSA-N 1 2 398.370 2.437 20 0 GEADLO O=C([C@H]1C[C@@H](O)C1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000635894153 652763898 /nfs/dbraw/zinc/76/38/98/652763898.db2.gz DDXGLKKGOCEPSJ-GASCZTMLSA-N 1 2 378.270 2.445 20 0 GEADLO Nc1c(Cl)cc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1Cl ZINC000764200542 652789948 /nfs/dbraw/zinc/78/99/48/652789948.db2.gz XUXVLZFCYOEJRI-UHFFFAOYSA-N 1 2 384.267 2.357 20 0 GEADLO O=C(c1ccc(C(F)(F)F)s1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000671774024 652812433 /nfs/dbraw/zinc/81/24/33/652812433.db2.gz TWBCGYNWPNUCEL-LBPRGKRZSA-N 1 2 378.416 2.330 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC(Cc2cccs2)C1 ZINC000636628568 652812789 /nfs/dbraw/zinc/81/27/89/652812789.db2.gz SYEKUPICWUGYGO-SFHVURJKSA-N 1 2 381.567 2.140 20 0 GEADLO O=C(N[C@H]1CCN(c2ccccc2Br)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636769832 652821780 /nfs/dbraw/zinc/82/17/80/652821780.db2.gz OISAJMWVJLAVGR-STQMWFEESA-N 1 2 390.285 2.148 20 0 GEADLO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000765356658 652837104 /nfs/dbraw/zinc/83/71/04/652837104.db2.gz NAVOBGYDUMTNNE-ZDUSSCGKSA-N 1 2 386.246 2.287 20 0 GEADLO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000765356658 652837106 /nfs/dbraw/zinc/83/71/06/652837106.db2.gz NAVOBGYDUMTNNE-ZDUSSCGKSA-N 1 2 386.246 2.287 20 0 GEADLO O=C(Cc1cccc(I)c1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598948056 652842258 /nfs/dbraw/zinc/84/22/58/652842258.db2.gz OMFDSQWEUNLLRU-ZDUSSCGKSA-N 1 2 381.217 2.161 20 0 GEADLO O=C(NCc1ccsc1Br)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000672871883 652847955 /nfs/dbraw/zinc/84/79/55/652847955.db2.gz NXGWSDCWMZQJIX-LBPRGKRZSA-N 1 2 397.298 2.187 20 0 GEADLO CC1(C)CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC[N@@H+]1CCO ZINC000672879530 652848265 /nfs/dbraw/zinc/84/82/65/652848265.db2.gz ZRDPHOWQWFABGY-UHFFFAOYSA-N 1 2 381.325 2.212 20 0 GEADLO CC1(C)CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC[N@H+]1CCO ZINC000672879530 652848271 /nfs/dbraw/zinc/84/82/71/652848271.db2.gz ZRDPHOWQWFABGY-UHFFFAOYSA-N 1 2 381.325 2.212 20 0 GEADLO CC[N@H+](CC(=O)NC)[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000766108646 652868104 /nfs/dbraw/zinc/86/81/04/652868104.db2.gz DHDQMQZECYBSNQ-HNNXBMFYSA-N 1 2 382.302 2.321 20 0 GEADLO CC[N@@H+](CC(=O)NC)[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000766108646 652868107 /nfs/dbraw/zinc/86/81/07/652868107.db2.gz DHDQMQZECYBSNQ-HNNXBMFYSA-N 1 2 382.302 2.321 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)C[C@H]1C ZINC000673571279 652870665 /nfs/dbraw/zinc/87/06/65/652870665.db2.gz HQSXFXDJXOQRAF-LLVKDONJSA-N 1 2 389.905 2.022 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)C[C@H]1C ZINC000673571279 652870667 /nfs/dbraw/zinc/87/06/67/652870667.db2.gz HQSXFXDJXOQRAF-LLVKDONJSA-N 1 2 389.905 2.022 20 0 GEADLO O=C(CN1CCc2[nH+]c[nH]c2C1)Nc1ccc(I)cc1 ZINC000599430174 652871042 /nfs/dbraw/zinc/87/10/42/652871042.db2.gz NZOOLMVTQXVGPA-UHFFFAOYSA-N 1 2 382.205 2.011 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000637733626 652871829 /nfs/dbraw/zinc/87/18/29/652871829.db2.gz UPRHYWMFLOQKEK-UHFFFAOYSA-N 1 2 377.819 2.415 20 0 GEADLO NS(=O)(=O)c1cc(C[N@@H+]2CCCN(c3nccs3)CC2)ccc1Cl ZINC000637972124 652879743 /nfs/dbraw/zinc/87/97/43/652879743.db2.gz QWWLEFLTYJUKKZ-UHFFFAOYSA-N 1 2 386.930 2.156 20 0 GEADLO NS(=O)(=O)c1cc(C[N@H+]2CCCN(c3nccs3)CC2)ccc1Cl ZINC000637972124 652879746 /nfs/dbraw/zinc/87/97/46/652879746.db2.gz QWWLEFLTYJUKKZ-UHFFFAOYSA-N 1 2 386.930 2.156 20 0 GEADLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000637987638 652880437 /nfs/dbraw/zinc/88/04/37/652880437.db2.gz KPGRRRUJHMLDEI-AWEZNQCLSA-N 1 2 387.933 2.116 20 0 GEADLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000637987638 652880442 /nfs/dbraw/zinc/88/04/42/652880442.db2.gz KPGRRRUJHMLDEI-AWEZNQCLSA-N 1 2 387.933 2.116 20 0 GEADLO O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674204248 652890560 /nfs/dbraw/zinc/89/05/60/652890560.db2.gz XTSMOMDVJGBKKV-AWEZNQCLSA-N 1 2 377.242 2.448 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH2+]Cc2nccn2CC(F)(F)F)cc1Cl ZINC000638510814 652891877 /nfs/dbraw/zinc/89/18/77/652891877.db2.gz SQBNURCTKSXRGG-UHFFFAOYSA-N 1 2 382.795 2.036 20 0 GEADLO COC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)o1)c1cccc(C(F)(F)F)c1 ZINC000638601831 652898738 /nfs/dbraw/zinc/89/87/38/652898738.db2.gz IAUFRMASBCUHGL-ZDUSSCGKSA-N 1 2 378.372 2.423 20 0 GEADLO COc1nsc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1Br ZINC000639062837 652918177 /nfs/dbraw/zinc/91/81/77/652918177.db2.gz UOSIRJMSZFNAQC-UHFFFAOYSA-N 1 2 382.283 2.490 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000639107595 652918943 /nfs/dbraw/zinc/91/89/43/652918943.db2.gz TUSXEBMWOCZHND-GWCFXTLKSA-N 1 2 386.823 2.123 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000639107595 652918949 /nfs/dbraw/zinc/91/89/49/652918949.db2.gz TUSXEBMWOCZHND-GWCFXTLKSA-N 1 2 386.823 2.123 20 0 GEADLO COCC[N@H+](Cc1scnc1C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639112944 652919534 /nfs/dbraw/zinc/91/95/34/652919534.db2.gz IZOZKYFCTWCSTG-UHFFFAOYSA-N 1 2 389.930 2.401 20 0 GEADLO COCC[N@@H+](Cc1scnc1C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639112944 652919535 /nfs/dbraw/zinc/91/95/35/652919535.db2.gz IZOZKYFCTWCSTG-UHFFFAOYSA-N 1 2 389.930 2.401 20 0 GEADLO CN(C)C(=O)C[NH+]1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000675284779 652921924 /nfs/dbraw/zinc/92/19/24/652921924.db2.gz LUQIQPDDKBQZOL-UHFFFAOYSA-N 1 2 391.313 2.203 20 0 GEADLO O=C(CC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1)C1CC1 ZINC000767376788 652922435 /nfs/dbraw/zinc/92/24/35/652922435.db2.gz YGGVXWAWZOSOFX-UHFFFAOYSA-N 1 2 395.297 2.341 20 0 GEADLO COc1nsc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1Br ZINC000639144567 652922719 /nfs/dbraw/zinc/92/27/19/652922719.db2.gz BOIMNHBWQNMTSK-SECBINFHSA-N 1 2 384.303 2.666 20 0 GEADLO COc1nsc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1Br ZINC000639144567 652922725 /nfs/dbraw/zinc/92/27/25/652922725.db2.gz BOIMNHBWQNMTSK-SECBINFHSA-N 1 2 384.303 2.666 20 0 GEADLO COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1OC ZINC000639157733 652923755 /nfs/dbraw/zinc/92/37/55/652923755.db2.gz SAVSVYQQLVMZGL-CYBMUJFWSA-N 1 2 376.906 2.213 20 0 GEADLO COc1cc(Cl)c(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1OC ZINC000639157733 652923758 /nfs/dbraw/zinc/92/37/58/652923758.db2.gz SAVSVYQQLVMZGL-CYBMUJFWSA-N 1 2 376.906 2.213 20 0 GEADLO NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)ccc1Cl ZINC000639162838 652924441 /nfs/dbraw/zinc/92/44/41/652924441.db2.gz RXAPUOLPFRWNBO-ZDUSSCGKSA-N 1 2 386.823 2.267 20 0 GEADLO NS(=O)(=O)c1cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)ccc1Cl ZINC000639162838 652924445 /nfs/dbraw/zinc/92/44/45/652924445.db2.gz RXAPUOLPFRWNBO-ZDUSSCGKSA-N 1 2 386.823 2.267 20 0 GEADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639257231 652929120 /nfs/dbraw/zinc/92/91/20/652929120.db2.gz KREVCNIBONLIFK-ZDUSSCGKSA-N 1 2 391.331 2.488 20 0 GEADLO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639257231 652929125 /nfs/dbraw/zinc/92/91/25/652929125.db2.gz KREVCNIBONLIFK-ZDUSSCGKSA-N 1 2 391.331 2.488 20 0 GEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1COc2ccc(Br)cc21 ZINC000767581500 652934778 /nfs/dbraw/zinc/93/47/78/652934778.db2.gz VTDMDYOJFYSTID-VNHYZAJKSA-N 1 2 382.254 2.332 20 0 GEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1COc2ccc(Br)cc21 ZINC000767581500 652934781 /nfs/dbraw/zinc/93/47/81/652934781.db2.gz VTDMDYOJFYSTID-VNHYZAJKSA-N 1 2 382.254 2.332 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)NCc1cccnc1 ZINC000639772311 652953454 /nfs/dbraw/zinc/95/34/54/652953454.db2.gz JQQFTEKKJDMQAJ-OAHLLOKOSA-N 1 2 391.269 2.009 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)NCc1cccnc1 ZINC000639772311 652953458 /nfs/dbraw/zinc/95/34/58/652953458.db2.gz JQQFTEKKJDMQAJ-OAHLLOKOSA-N 1 2 391.269 2.009 20 0 GEADLO CC(C)n1ncnc1CNc1[nH]c2ccc(I)cc2[nH+]1 ZINC000601133273 652955897 /nfs/dbraw/zinc/95/58/97/652955897.db2.gz YYFIGHDTFKEZLB-UHFFFAOYSA-N 1 2 382.209 2.374 20 0 GEADLO CC(C)n1ncnc1CNc1[nH]c2cc(I)ccc2[nH+]1 ZINC000601133273 652955901 /nfs/dbraw/zinc/95/59/01/652955901.db2.gz YYFIGHDTFKEZLB-UHFFFAOYSA-N 1 2 382.209 2.374 20 0 GEADLO CCN(C(=O)[C@@H](C)[NH+]1CCC2(CCSCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000639978526 653092178 /nfs/dbraw/zinc/09/21/78/653092178.db2.gz HNEBLQJZDUZZCX-CVEARBPZSA-N 1 2 388.599 2.020 20 0 GEADLO Brc1ccn(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000767965314 653096309 /nfs/dbraw/zinc/09/63/09/653096309.db2.gz WOTGSZCNLVLRQZ-UHFFFAOYSA-N 1 2 393.285 2.192 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000676989657 653118409 /nfs/dbraw/zinc/11/84/09/653118409.db2.gz PPJRTGXLEOHPOZ-WDEREUQCSA-N 1 2 387.267 2.436 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000676989657 653118415 /nfs/dbraw/zinc/11/84/15/653118415.db2.gz PPJRTGXLEOHPOZ-WDEREUQCSA-N 1 2 387.267 2.436 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000805469772 653118307 /nfs/dbraw/zinc/11/83/07/653118307.db2.gz RAUDJCZHJPVYDQ-GJZGRUSLSA-N 1 2 387.263 2.363 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000805469772 653118312 /nfs/dbraw/zinc/11/83/12/653118312.db2.gz RAUDJCZHJPVYDQ-GJZGRUSLSA-N 1 2 387.263 2.363 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000805473690 653118364 /nfs/dbraw/zinc/11/83/64/653118364.db2.gz XJWZDHXKKBFUNF-LSDHHAIUSA-N 1 2 387.263 2.363 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000805473690 653118373 /nfs/dbraw/zinc/11/83/73/653118373.db2.gz XJWZDHXKKBFUNF-LSDHHAIUSA-N 1 2 387.263 2.363 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000805469773 653118612 /nfs/dbraw/zinc/11/86/12/653118612.db2.gz RAUDJCZHJPVYDQ-HUUCEWRRSA-N 1 2 387.263 2.363 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000805469773 653118615 /nfs/dbraw/zinc/11/86/15/653118615.db2.gz RAUDJCZHJPVYDQ-HUUCEWRRSA-N 1 2 387.263 2.363 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn(CCc3cc(Cl)ccc3Cl)nn2)C1 ZINC000641113635 653158615 /nfs/dbraw/zinc/15/86/15/653158615.db2.gz JJVLKCMGMSQCJK-ZDUSSCGKSA-N 1 2 389.308 2.104 20 0 GEADLO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccccc1I)CC2 ZINC000769513003 653160451 /nfs/dbraw/zinc/16/04/51/653160451.db2.gz WGRPPRUYBSKXMT-UHFFFAOYSA-N 1 2 395.244 2.426 20 0 GEADLO CCn1nc2c(cc1=O)C[N@H+](Cc1ccccc1I)CC2 ZINC000769513003 653160454 /nfs/dbraw/zinc/16/04/54/653160454.db2.gz WGRPPRUYBSKXMT-UHFFFAOYSA-N 1 2 395.244 2.426 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000769534532 653161409 /nfs/dbraw/zinc/16/14/09/653161409.db2.gz VQNCMHAMUBAIGQ-AWEZNQCLSA-N 1 2 385.921 2.179 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000769534532 653161412 /nfs/dbraw/zinc/16/14/12/653161412.db2.gz VQNCMHAMUBAIGQ-AWEZNQCLSA-N 1 2 385.921 2.179 20 0 GEADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1csc(Cl)n1 ZINC000769693225 653171540 /nfs/dbraw/zinc/17/15/40/653171540.db2.gz LRNOVWDWRFGXND-UHFFFAOYSA-N 1 2 381.885 2.438 20 0 GEADLO COc1cc(CS(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)sn1 ZINC000641253586 653172286 /nfs/dbraw/zinc/17/22/86/653172286.db2.gz BQIKBHMDHRTFKR-CQSZACIVSA-N 1 2 385.511 2.391 20 0 GEADLO O=C(NCCc1cn2c(n1)SCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000681038700 653175845 /nfs/dbraw/zinc/17/58/45/653175845.db2.gz BHRBIZPOHJDXBI-UHFFFAOYSA-N 1 2 377.539 2.120 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(I)s2)C1 ZINC000602721928 653202357 /nfs/dbraw/zinc/20/23/57/653202357.db2.gz VKTWVPVVYROUFX-LBPRGKRZSA-N 1 2 381.235 2.117 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(I)s2)C1 ZINC000602721928 653202366 /nfs/dbraw/zinc/20/23/66/653202366.db2.gz VKTWVPVVYROUFX-LBPRGKRZSA-N 1 2 381.235 2.117 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000641294525 653181170 /nfs/dbraw/zinc/18/11/70/653181170.db2.gz HTUKWWQYKJUYQC-UHFFFAOYSA-N 1 2 383.901 2.204 20 0 GEADLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000602486941 653186304 /nfs/dbraw/zinc/18/63/04/653186304.db2.gz RSDWDXSVAWLHPB-HSZRJFAPSA-N 1 2 386.926 2.357 20 0 GEADLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000602486941 653186312 /nfs/dbraw/zinc/18/63/12/653186312.db2.gz RSDWDXSVAWLHPB-HSZRJFAPSA-N 1 2 386.926 2.357 20 0 GEADLO C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)c1ccc(F)c(Br)c1 ZINC000641323376 653186844 /nfs/dbraw/zinc/18/68/44/653186844.db2.gz KSURSVBFNWRBKP-SNVBAGLBSA-N 1 2 376.251 2.465 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Cl)cc1Br ZINC000807280128 653188356 /nfs/dbraw/zinc/18/83/56/653188356.db2.gz CTNQWCDRZOTGOE-GFCCVEGCSA-N 1 2 386.633 2.271 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)cc(Br)c1 ZINC000807283764 653188868 /nfs/dbraw/zinc/18/88/68/653188868.db2.gz KLIBVQGDSIRYKL-LBPRGKRZSA-N 1 2 386.633 2.271 20 0 GEADLO CO[C@@H](C)c1nc(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)cs1 ZINC000641372500 653194501 /nfs/dbraw/zinc/19/45/01/653194501.db2.gz JDNOZZUZOZYOFN-LBPRGKRZSA-N 1 2 381.523 2.317 20 0 GEADLO CO[C@@H](C)c1nc(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)cs1 ZINC000641372500 653194503 /nfs/dbraw/zinc/19/45/03/653194503.db2.gz JDNOZZUZOZYOFN-LBPRGKRZSA-N 1 2 381.523 2.317 20 0 GEADLO Cc1sc(CCNS(=O)(=O)CCn2cc[nH+]c2)nc1-c1ccccc1 ZINC000641374264 653195102 /nfs/dbraw/zinc/19/51/02/653195102.db2.gz JRLHNGRKDDLYCC-UHFFFAOYSA-N 1 2 376.507 2.477 20 0 GEADLO Cc1ccc(C[NH+]2CCN(c3ncc(I)cn3)CC2)nc1 ZINC000602731740 653203026 /nfs/dbraw/zinc/20/30/26/653203026.db2.gz AYIVOCAVBXWURL-UHFFFAOYSA-N 1 2 395.248 2.107 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000641429926 653205057 /nfs/dbraw/zinc/20/50/57/653205057.db2.gz XTMTZFSDPTVEHM-LBPRGKRZSA-N 1 2 389.308 2.388 20 0 GEADLO CN([C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641434741 653205506 /nfs/dbraw/zinc/20/55/06/653205506.db2.gz MNSYFIAFXCRHGH-LSDHHAIUSA-N 1 2 390.292 2.110 20 0 GEADLO CC(C)(C)OC(=O)CC1([NH2+]Cc2nnc(S(C)(=O)=O)s2)CCCCC1 ZINC000602876854 653211421 /nfs/dbraw/zinc/21/14/21/653211421.db2.gz CYZQSBWGRFZGAW-UHFFFAOYSA-N 1 2 389.543 2.466 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CCOc2c(Br)cccc21 ZINC000641479489 653212139 /nfs/dbraw/zinc/21/21/39/653212139.db2.gz NSUGKOGGPUPMBD-ZDUSSCGKSA-N 1 2 386.271 2.089 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCc1ccc(Br)c(F)c1F ZINC000641631171 653225344 /nfs/dbraw/zinc/22/53/44/653225344.db2.gz DYNUGRKMNYFVIW-UHFFFAOYSA-N 1 2 380.214 2.043 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccnc(C(F)(F)F)c1 ZINC000808385583 653229047 /nfs/dbraw/zinc/22/90/47/653229047.db2.gz PMFILBDYYJKHRP-OAHLLOKOSA-N 1 2 375.416 2.038 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000683659232 653237124 /nfs/dbraw/zinc/23/71/24/653237124.db2.gz NQQYZLPKLATRLK-RISCZKNCSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000683659232 653237126 /nfs/dbraw/zinc/23/71/26/653237126.db2.gz NQQYZLPKLATRLK-RISCZKNCSA-N 1 2 376.266 2.359 20 0 GEADLO O=C([O-])C[NH+]1CCC([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000874049394 653254215 /nfs/dbraw/zinc/25/42/15/653254215.db2.gz FXOPOVSUYQYZCY-UHFFFAOYSA-N 1 2 393.285 2.478 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)/C=C/c2ccccc2Cl)[C@@H](C)C1 ZINC000774786817 653256680 /nfs/dbraw/zinc/25/66/80/653256680.db2.gz BNBJLWWPFSQNTD-BCNIOPEESA-N 1 2 386.901 2.210 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)/C=C/c2ccccc2Cl)[C@@H](C)C1 ZINC000774786817 653256694 /nfs/dbraw/zinc/25/66/94/653256694.db2.gz BNBJLWWPFSQNTD-BCNIOPEESA-N 1 2 386.901 2.210 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)/C=C/c2ccccc2Cl)[C@H](C)C1 ZINC000774786818 653256772 /nfs/dbraw/zinc/25/67/72/653256772.db2.gz BNBJLWWPFSQNTD-CEFACKQISA-N 1 2 386.901 2.210 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)/C=C/c2ccccc2Cl)[C@H](C)C1 ZINC000774786818 653256778 /nfs/dbraw/zinc/25/67/78/653256778.db2.gz BNBJLWWPFSQNTD-CEFACKQISA-N 1 2 386.901 2.210 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)Cc1csc(C)n1)[NH+]1CCOCC1 ZINC000684095440 653256909 /nfs/dbraw/zinc/25/69/09/653256909.db2.gz HKVCPQBDMNSTMN-INIZCTEOSA-N 1 2 375.560 2.008 20 0 GEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc2c(cc1Br)OCO2 ZINC000856966792 653263431 /nfs/dbraw/zinc/26/34/31/653263431.db2.gz CGUZWVGFSQREBR-PHIMTYICSA-N 1 2 384.226 2.198 20 0 GEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc2c(cc1Br)OCO2 ZINC000856966792 653263438 /nfs/dbraw/zinc/26/34/38/653263438.db2.gz CGUZWVGFSQREBR-PHIMTYICSA-N 1 2 384.226 2.198 20 0 GEADLO C[C@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)[C@@H]1C[N@H+](C)CCO1 ZINC000684464162 653266452 /nfs/dbraw/zinc/26/64/52/653266452.db2.gz RDAMZHMGQBRKDW-RYUDHWBXSA-N 1 2 380.539 2.407 20 0 GEADLO C[C@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)[C@@H]1C[N@@H+](C)CCO1 ZINC000684464162 653266460 /nfs/dbraw/zinc/26/64/60/653266460.db2.gz RDAMZHMGQBRKDW-RYUDHWBXSA-N 1 2 380.539 2.407 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000684529456 653271239 /nfs/dbraw/zinc/27/12/39/653271239.db2.gz GLDYREYSEXLLDW-MRXNPFEDSA-N 1 2 391.269 2.126 20 0 GEADLO COCCNC(=O)C1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000809543692 653281602 /nfs/dbraw/zinc/28/16/02/653281602.db2.gz TWQMNNAJXMVWLF-UHFFFAOYSA-N 1 2 395.301 2.071 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2occc2Br)C1)C1CC1 ZINC000809784154 653294655 /nfs/dbraw/zinc/29/46/55/653294655.db2.gz HSZYAWGDRZGUEW-LLVKDONJSA-N 1 2 377.304 2.336 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2occc2Br)C1)C1CC1 ZINC000809784154 653294665 /nfs/dbraw/zinc/29/46/65/653294665.db2.gz HSZYAWGDRZGUEW-LLVKDONJSA-N 1 2 377.304 2.336 20 0 GEADLO C[C@H]1CCN(Cc2ncc(C[NH+](C)C)s2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000809769315 653294861 /nfs/dbraw/zinc/29/48/61/653294861.db2.gz KEAIEPZNSFIMII-MJVIPROJSA-N 1 2 378.464 2.482 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)C[C@H]1CCCC(F)(F)C1)[NH+]1CCN(C)CC1 ZINC000685296972 653302490 /nfs/dbraw/zinc/30/24/90/653302490.db2.gz XLANOYNAMSOZOF-HOTGVXAUSA-N 1 2 381.533 2.003 20 0 GEADLO CN1CCN(c2cc(NCc3ccc(Br)cc3F)[nH+]cn2)CC1=O ZINC000775475461 653314317 /nfs/dbraw/zinc/31/43/17/653314317.db2.gz MBFYUYLMMPQZAD-UHFFFAOYSA-N 1 2 394.248 2.269 20 0 GEADLO CN1CCN(c2cc(NCc3ccc(Br)cc3F)nc[nH+]2)CC1=O ZINC000775475461 653314322 /nfs/dbraw/zinc/31/43/22/653314322.db2.gz MBFYUYLMMPQZAD-UHFFFAOYSA-N 1 2 394.248 2.269 20 0 GEADLO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000716295632 653326389 /nfs/dbraw/zinc/32/63/89/653326389.db2.gz MKKLRCKYBGQBHZ-UKRRQHHQSA-N 1 2 382.917 2.262 20 0 GEADLO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000716295632 653326395 /nfs/dbraw/zinc/32/63/95/653326395.db2.gz MKKLRCKYBGQBHZ-UKRRQHHQSA-N 1 2 382.917 2.262 20 0 GEADLO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC2C[NH+](C)C2)c1Cl ZINC000857649392 653329896 /nfs/dbraw/zinc/32/98/96/653329896.db2.gz TYIOSMBVPJVKDV-UHFFFAOYSA-N 1 2 379.309 2.421 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2cc(Cl)ncc2Br)CCO1 ZINC000810303201 653333997 /nfs/dbraw/zinc/33/39/97/653333997.db2.gz UWZAUYJVOAGGRQ-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2cc(Cl)ncc2Br)CCO1 ZINC000810303201 653334004 /nfs/dbraw/zinc/33/40/04/653334004.db2.gz UWZAUYJVOAGGRQ-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO Cn1nnc(Br)c1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000810363696 653336202 /nfs/dbraw/zinc/33/62/02/653336202.db2.gz AGLSQCRBGBNWAJ-UHFFFAOYSA-N 1 2 393.289 2.283 20 0 GEADLO O=C(c1cc(Br)c[nH]c1=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874889044 653341282 /nfs/dbraw/zinc/34/12/82/653341282.db2.gz ROFYPKDJHNDXPC-CQSZACIVSA-N 1 2 380.217 2.476 20 0 GEADLO O=C(c1cc(Br)c[nH]c1=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874889043 653341313 /nfs/dbraw/zinc/34/13/13/653341313.db2.gz ROFYPKDJHNDXPC-AWEZNQCLSA-N 1 2 380.217 2.476 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccnc(Cl)c1I ZINC000857980016 653346360 /nfs/dbraw/zinc/34/63/60/653346360.db2.gz IEWVOBBDJPACIV-MRVPVSSYSA-N 1 2 388.596 2.411 20 0 GEADLO Cn1cc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c(Br)n1 ZINC000858136071 653349992 /nfs/dbraw/zinc/34/99/92/653349992.db2.gz HCLJJULZQFPJCS-UHFFFAOYSA-N 1 2 381.274 2.425 20 0 GEADLO C[C@@]1(CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1(Cl)Cl ZINC000836414926 653350778 /nfs/dbraw/zinc/35/07/78/653350778.db2.gz CMWOVEUZRFSSGL-OAHLLOKOSA-N 1 2 390.315 2.311 20 0 GEADLO Cc1c(Br)nccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000836680411 653368680 /nfs/dbraw/zinc/36/86/80/653368680.db2.gz DCPRMCZKBPKSCE-DGCLKSJQSA-N 1 2 383.290 2.479 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3C[C@H](O)C3)[nH+]c12 ZINC000875488366 653373003 /nfs/dbraw/zinc/37/30/03/653373003.db2.gz WGUPEQYFKJNVMF-YEORSEQZSA-N 1 2 381.274 2.018 20 0 GEADLO O=C1C(=O)N(CN2CCn3c[nH+]cc3C2)c2ccc(Br)c(Cl)c21 ZINC000811787111 653404999 /nfs/dbraw/zinc/40/49/99/653404999.db2.gz DGPKDUJKHRSYLK-UHFFFAOYSA-N 1 2 395.644 2.302 20 0 GEADLO CCOCC[N@H+](C)Cn1c2ccc(I)cc2oc1=O ZINC000777958491 653414253 /nfs/dbraw/zinc/41/42/53/653414253.db2.gz QDKNNSLWHUDXFM-UHFFFAOYSA-N 1 2 376.194 2.125 20 0 GEADLO CCOCC[N@@H+](C)Cn1c2ccc(I)cc2oc1=O ZINC000777958491 653414257 /nfs/dbraw/zinc/41/42/57/653414257.db2.gz QDKNNSLWHUDXFM-UHFFFAOYSA-N 1 2 376.194 2.125 20 0 GEADLO C[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)c1nnnn1C1CC1 ZINC000859276933 653432016 /nfs/dbraw/zinc/43/20/16/653432016.db2.gz NEOJMVMRBYCCSA-YMTOWFKASA-N 1 2 391.273 2.375 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)s1 ZINC000876718006 653443663 /nfs/dbraw/zinc/44/36/63/653443663.db2.gz LGWPXIZKFPVEAI-QGZVFWFLSA-N 1 2 384.498 2.480 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000876732898 653444516 /nfs/dbraw/zinc/44/45/16/653444516.db2.gz JAQJKVVGKRMZKY-GHMZBOCLSA-N 1 2 376.441 2.197 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000876732898 653444518 /nfs/dbraw/zinc/44/45/18/653444518.db2.gz JAQJKVVGKRMZKY-GHMZBOCLSA-N 1 2 376.441 2.197 20 0 GEADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCCc2c[nH+]cn2C)c1Cl ZINC000837566157 653450274 /nfs/dbraw/zinc/45/02/74/653450274.db2.gz KTCSFUOCAIIOFI-UHFFFAOYSA-N 1 2 392.264 2.035 20 0 GEADLO Cc1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)c(Br)c1 ZINC000779423352 653476982 /nfs/dbraw/zinc/47/69/82/653476982.db2.gz HAEGSGIIGNNMKO-UHFFFAOYSA-N 1 2 378.288 2.188 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCS(C)(=O)=O)CC[C@@H]1C(F)(F)F ZINC000859602954 653477093 /nfs/dbraw/zinc/47/70/93/653477093.db2.gz JEAPCUBGOJQBOD-RYUDHWBXSA-N 1 2 388.452 2.056 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@@H]1C(F)(F)F ZINC000859602954 653477096 /nfs/dbraw/zinc/47/70/96/653477096.db2.gz JEAPCUBGOJQBOD-RYUDHWBXSA-N 1 2 388.452 2.056 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000779563053 653480472 /nfs/dbraw/zinc/48/04/72/653480472.db2.gz MHXKHNDUYHJQNL-KFWWJZLASA-N 1 2 392.253 2.107 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000779563655 653480497 /nfs/dbraw/zinc/48/04/97/653480497.db2.gz PBOZHZINJPCMCF-ZJUUUORDSA-N 1 2 386.271 2.169 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000779564441 653498121 /nfs/dbraw/zinc/49/81/21/653498121.db2.gz TVDTVPYZITVRON-GFCCVEGCSA-N 1 2 392.209 2.363 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000779565441 653498695 /nfs/dbraw/zinc/49/86/95/653498695.db2.gz WJCYLLNXQZWERP-ILXRZTDVSA-N 1 2 392.253 2.107 20 0 GEADLO CO[C@@]1(CNc2ccc(N3CC[NH+](C)CC3)c(Br)c2)CCOC1 ZINC000877467823 653524104 /nfs/dbraw/zinc/52/41/04/653524104.db2.gz QEOKPBCHUFMFEC-QGZVFWFLSA-N 1 2 384.318 2.418 20 0 GEADLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000877520463 653610704 /nfs/dbraw/zinc/61/07/04/653610704.db2.gz YBEZKKYMTHJFMM-CYBMUJFWSA-N 1 2 389.905 2.040 20 0 GEADLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000877520463 653610711 /nfs/dbraw/zinc/61/07/11/653610711.db2.gz YBEZKKYMTHJFMM-CYBMUJFWSA-N 1 2 389.905 2.040 20 0 GEADLO Fc1cc(N2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)ccn1 ZINC000877566367 653612191 /nfs/dbraw/zinc/61/21/91/653612191.db2.gz XZORRCHKYQBPOW-UHFFFAOYSA-N 1 2 391.248 2.348 20 0 GEADLO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000859944399 653612927 /nfs/dbraw/zinc/61/29/27/653612927.db2.gz VWMFJHGLGVTCKP-IAGOWNOFSA-N 1 2 399.329 2.094 20 0 GEADLO C[N@@H+](Cc1cn(C[C@H]2CCCO2)nn1)C[C@@H](O)c1cccc(Br)c1 ZINC000877588470 653613441 /nfs/dbraw/zinc/61/34/41/653613441.db2.gz QOTCXRKORVMEFK-IAGOWNOFSA-N 1 2 395.301 2.385 20 0 GEADLO C[N@H+](Cc1cn(C[C@H]2CCCO2)nn1)C[C@@H](O)c1cccc(Br)c1 ZINC000877588470 653613445 /nfs/dbraw/zinc/61/34/45/653613445.db2.gz QOTCXRKORVMEFK-IAGOWNOFSA-N 1 2 395.301 2.385 20 0 GEADLO NS(=O)(=O)c1cccc(C[NH+]2CCC(Oc3ccc(Cl)cn3)CC2)c1 ZINC000877586481 653613594 /nfs/dbraw/zinc/61/35/94/653613594.db2.gz GSQKBOJFQISNHW-UHFFFAOYSA-N 1 2 381.885 2.426 20 0 GEADLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(Br)cnc1F ZINC000860128110 653619857 /nfs/dbraw/zinc/61/98/57/653619857.db2.gz AWDWZFHLUXVADN-ZIAGYGMSSA-N 1 2 386.265 2.356 20 0 GEADLO CCOC(=O)[C@@H]1C[N@H+](Cc2cnc(C3OCCO3)s2)C[C@H]1C(F)(F)F ZINC000877837462 653621990 /nfs/dbraw/zinc/62/19/90/653621990.db2.gz BTNQFPKXEFEOGM-GHMZBOCLSA-N 1 2 380.388 2.362 20 0 GEADLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cnc(C3OCCO3)s2)C[C@H]1C(F)(F)F ZINC000877837462 653621993 /nfs/dbraw/zinc/62/19/93/653621993.db2.gz BTNQFPKXEFEOGM-GHMZBOCLSA-N 1 2 380.388 2.362 20 0 GEADLO Cc1nc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)sc1Br ZINC000877928411 653623748 /nfs/dbraw/zinc/62/37/48/653623748.db2.gz VFUDULYABXDZKL-LBPRGKRZSA-N 1 2 388.331 2.285 20 0 GEADLO Cc1nc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)sc1Br ZINC000877928411 653623750 /nfs/dbraw/zinc/62/37/50/653623750.db2.gz VFUDULYABXDZKL-LBPRGKRZSA-N 1 2 388.331 2.285 20 0 GEADLO Cc1nc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)sc1Br ZINC000878080287 653628000 /nfs/dbraw/zinc/62/80/00/653628000.db2.gz USVGIGLSXHWTMM-GFCCVEGCSA-N 1 2 381.336 2.448 20 0 GEADLO Cc1nc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)sc1Br ZINC000878080287 653628001 /nfs/dbraw/zinc/62/80/01/653628001.db2.gz USVGIGLSXHWTMM-GFCCVEGCSA-N 1 2 381.336 2.448 20 0 GEADLO CC[C@H]([NH2+]Cc1cn(C)nc1Br)c1cccc(S(N)(=O)=O)c1 ZINC000878362009 653635731 /nfs/dbraw/zinc/63/57/31/653635731.db2.gz KJNWGFKMNHNBTJ-ZDUSSCGKSA-N 1 2 387.303 2.071 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878600643 653642223 /nfs/dbraw/zinc/64/22/23/653642223.db2.gz GXNNEXXPLSFQQT-IUODEOHRSA-N 1 2 381.325 2.383 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878600643 653642225 /nfs/dbraw/zinc/64/22/25/653642225.db2.gz GXNNEXXPLSFQQT-IUODEOHRSA-N 1 2 381.325 2.383 20 0 GEADLO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878627670 653643045 /nfs/dbraw/zinc/64/30/45/653643045.db2.gz SBCVJYNHGCADNE-RYUDHWBXSA-N 1 2 388.262 2.214 20 0 GEADLO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878627670 653643048 /nfs/dbraw/zinc/64/30/48/653643048.db2.gz SBCVJYNHGCADNE-RYUDHWBXSA-N 1 2 388.262 2.214 20 0 GEADLO C[C@@H]1C[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)CCN1CCO ZINC000815096903 653651661 /nfs/dbraw/zinc/65/16/61/653651661.db2.gz XEQYWHKJFYNXAC-WBMJQRKESA-N 1 2 391.737 2.308 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)CCN1CCO ZINC000815096903 653651664 /nfs/dbraw/zinc/65/16/64/653651664.db2.gz XEQYWHKJFYNXAC-WBMJQRKESA-N 1 2 391.737 2.308 20 0 GEADLO O=C(Nc1cccnc1Br)N1CC[NH+](CCc2cnccn2)CC1 ZINC000878974816 653654005 /nfs/dbraw/zinc/65/40/05/653654005.db2.gz OXHIIAJYOFDZGF-UHFFFAOYSA-N 1 2 391.273 2.026 20 0 GEADLO COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000782048784 653654268 /nfs/dbraw/zinc/65/42/68/653654268.db2.gz NMWBSGQRGZPKAH-OWJWWREXSA-N 1 2 393.336 2.204 20 0 GEADLO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000861341283 653655091 /nfs/dbraw/zinc/65/50/91/653655091.db2.gz OTQULDMDQSWHRF-WBMJQRKESA-N 1 2 375.874 2.010 20 0 GEADLO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000861341283 653655092 /nfs/dbraw/zinc/65/50/92/653655092.db2.gz OTQULDMDQSWHRF-WBMJQRKESA-N 1 2 375.874 2.010 20 0 GEADLO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000861346451 653655280 /nfs/dbraw/zinc/65/52/80/653655280.db2.gz IXUCCKMJDZHDKJ-MEDUHNTESA-N 1 2 375.874 2.010 20 0 GEADLO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000861346451 653655282 /nfs/dbraw/zinc/65/52/82/653655282.db2.gz IXUCCKMJDZHDKJ-MEDUHNTESA-N 1 2 375.874 2.010 20 0 GEADLO O=Cc1cc(Br)cc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000861554387 653661469 /nfs/dbraw/zinc/66/14/69/653661469.db2.gz PXSHAKHIHZUYKS-CQSZACIVSA-N 1 2 395.297 2.446 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000879221378 653663399 /nfs/dbraw/zinc/66/33/99/653663399.db2.gz BVWJQLOIKCAUPW-OUAUKWLOSA-N 1 2 390.278 2.458 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000879221378 653663401 /nfs/dbraw/zinc/66/34/01/653663401.db2.gz BVWJQLOIKCAUPW-OUAUKWLOSA-N 1 2 390.278 2.458 20 0 GEADLO CC(=O)Nc1cccc2c1C[N@H+](C[C@H](O)c1cc(Br)no1)CC2 ZINC000879237797 653663573 /nfs/dbraw/zinc/66/35/73/653663573.db2.gz IBAFLRYXFTXVQD-AWEZNQCLSA-N 1 2 380.242 2.487 20 0 GEADLO CC(=O)Nc1cccc2c1C[N@@H+](C[C@H](O)c1cc(Br)no1)CC2 ZINC000879237797 653663576 /nfs/dbraw/zinc/66/35/76/653663576.db2.gz IBAFLRYXFTXVQD-AWEZNQCLSA-N 1 2 380.242 2.487 20 0 GEADLO C[C@@H]1C[N@H+](CCSc2nnc(-c3cccc(Br)c3)n2N)CCO1 ZINC000840057348 653672914 /nfs/dbraw/zinc/67/29/14/653672914.db2.gz ZVDBCSFWVYNOSP-LLVKDONJSA-N 1 2 398.330 2.234 20 0 GEADLO C[C@@H]1C[N@@H+](CCSc2nnc(-c3cccc(Br)c3)n2N)CCO1 ZINC000840057348 653672916 /nfs/dbraw/zinc/67/29/16/653672916.db2.gz ZVDBCSFWVYNOSP-LLVKDONJSA-N 1 2 398.330 2.234 20 0 GEADLO O=C(NC1CC([NH+]2CCOCC2)C1)c1nc(Br)sc1C1CC1 ZINC000862107876 653675749 /nfs/dbraw/zinc/67/57/49/653675749.db2.gz QMMLRLFPVNVHIZ-UHFFFAOYSA-N 1 2 386.315 2.376 20 0 GEADLO O=c1oc2cc(I)ccc2n1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000840168991 653677844 /nfs/dbraw/zinc/67/78/44/653677844.db2.gz RXPGCTTYSVDKPY-UWVGGRQHSA-N 1 2 388.230 2.346 20 0 GEADLO O=c1oc2cc(I)ccc2n1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000840168991 653677848 /nfs/dbraw/zinc/67/78/48/653677848.db2.gz RXPGCTTYSVDKPY-UWVGGRQHSA-N 1 2 388.230 2.346 20 0 GEADLO Cn1ncc2c1CCC[N@H+](Cn1c(=O)oc3cc(Br)ccc31)C2 ZINC000840174216 653678320 /nfs/dbraw/zinc/67/83/20/653678320.db2.gz ZXZWDRMYMDRMMR-UHFFFAOYSA-N 1 2 377.242 2.496 20 0 GEADLO Cn1ncc2c1CCC[N@@H+](Cn1c(=O)oc3cc(Br)ccc31)C2 ZINC000840174216 653678323 /nfs/dbraw/zinc/67/83/23/653678323.db2.gz ZXZWDRMYMDRMMR-UHFFFAOYSA-N 1 2 377.242 2.496 20 0 GEADLO CC(C)[N@H+](C[C@H]1CCC(=O)N1)Cn1c(=O)oc2cccc(Br)c21 ZINC000840189034 653679182 /nfs/dbraw/zinc/67/91/82/653679182.db2.gz OUJRJBKBIHIOHR-LLVKDONJSA-N 1 2 382.258 2.304 20 0 GEADLO CC(C)[N@@H+](C[C@H]1CCC(=O)N1)Cn1c(=O)oc2cccc(Br)c21 ZINC000840189034 653679184 /nfs/dbraw/zinc/67/91/84/653679184.db2.gz OUJRJBKBIHIOHR-LLVKDONJSA-N 1 2 382.258 2.304 20 0 GEADLO Cc1cc(CN(C)C[C@H](O)C[NH+]2CCOCC2)c(Br)cc1F ZINC000862248245 653681859 /nfs/dbraw/zinc/68/18/59/653681859.db2.gz UNSNCBXPXILYBB-AWEZNQCLSA-N 1 2 375.282 2.022 20 0 GEADLO Cc1cc(C[N@H+](C)C[C@H](O)CN2CCOCC2)c(Br)cc1F ZINC000862248245 653681861 /nfs/dbraw/zinc/68/18/61/653681861.db2.gz UNSNCBXPXILYBB-AWEZNQCLSA-N 1 2 375.282 2.022 20 0 GEADLO Cc1cc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)c(Br)cc1F ZINC000862248245 653681862 /nfs/dbraw/zinc/68/18/62/653681862.db2.gz UNSNCBXPXILYBB-AWEZNQCLSA-N 1 2 375.282 2.022 20 0 GEADLO CCn1ncc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n1 ZINC000816409626 653683926 /nfs/dbraw/zinc/68/39/26/653683926.db2.gz WOSQBPZEEICGKI-UHFFFAOYSA-N 1 2 393.289 2.065 20 0 GEADLO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(Br)n1 ZINC000862369694 653684653 /nfs/dbraw/zinc/68/46/53/653684653.db2.gz FAFDSXRWTPUNGC-SECBINFHSA-N 1 2 383.212 2.073 20 0 GEADLO Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(Br)n1 ZINC000862369694 653684654 /nfs/dbraw/zinc/68/46/54/653684654.db2.gz FAFDSXRWTPUNGC-SECBINFHSA-N 1 2 383.212 2.073 20 0 GEADLO O=c1oc2cc(Br)ccc2n1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000784042940 653688615 /nfs/dbraw/zinc/68/86/15/653688615.db2.gz HVWPTZCEFMCUMN-UHFFFAOYSA-N 1 2 397.269 2.444 20 0 GEADLO O=c1oc2cc(Br)ccc2n1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000784042940 653688619 /nfs/dbraw/zinc/68/86/19/653688619.db2.gz HVWPTZCEFMCUMN-UHFFFAOYSA-N 1 2 397.269 2.444 20 0 GEADLO OCC1(CO)CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000879968575 653690363 /nfs/dbraw/zinc/69/03/63/653690363.db2.gz QWRKARCOZWGSLG-UHFFFAOYSA-N 1 2 388.287 2.127 20 0 GEADLO C[C@]12C[N@@H+]([C@@H]3CCN(c4ccccc4Cl)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015444 653692222 /nfs/dbraw/zinc/69/22/22/653692222.db2.gz FOMQDYVMZIQVGO-NXHRZFHOSA-N 1 2 382.913 2.202 20 0 GEADLO C[C@]12C[N@H+]([C@@H]3CCN(c4ccccc4Cl)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015444 653692226 /nfs/dbraw/zinc/69/22/26/653692226.db2.gz FOMQDYVMZIQVGO-NXHRZFHOSA-N 1 2 382.913 2.202 20 0 GEADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@H](O)c1cc(Br)no1)CC2 ZINC000880032125 653692974 /nfs/dbraw/zinc/69/29/74/653692974.db2.gz KKXBBFYXQWTINC-AWEZNQCLSA-N 1 2 380.242 2.487 20 0 GEADLO CC(=O)Nc1ccc2c(c1)C[N@H+](C[C@H](O)c1cc(Br)no1)CC2 ZINC000880032125 653692975 /nfs/dbraw/zinc/69/29/75/653692975.db2.gz KKXBBFYXQWTINC-AWEZNQCLSA-N 1 2 380.242 2.487 20 0 GEADLO COC(=O)c1cnc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)cn1 ZINC000880222524 653701188 /nfs/dbraw/zinc/70/11/88/653701188.db2.gz WEUBKJLWXBJGHV-KDYLLFBJSA-N 1 2 392.253 2.166 20 0 GEADLO Cc1cc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc(C)[nH+]1 ZINC000817142109 653702754 /nfs/dbraw/zinc/70/27/54/653702754.db2.gz PQPJICAKTRAXSD-UHFFFAOYSA-N 1 2 388.898 2.234 20 0 GEADLO CC[C@H](NC(=S)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)c1cccs1 ZINC000863209949 653703570 /nfs/dbraw/zinc/70/35/70/653703570.db2.gz GZYCQVIVVMZPNI-KBXCAEBGSA-N 1 2 383.583 2.279 20 0 GEADLO CC[C@H](NC(=S)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)c1cccs1 ZINC000863209949 653703573 /nfs/dbraw/zinc/70/35/73/653703573.db2.gz GZYCQVIVVMZPNI-KBXCAEBGSA-N 1 2 383.583 2.279 20 0 GEADLO COc1cc(OCC[NH+](C)C)ccc1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000840954649 653703865 /nfs/dbraw/zinc/70/38/65/653703865.db2.gz LVFVCEKZDXKVCY-UHFFFAOYSA-N 1 2 385.873 2.485 20 0 GEADLO C[NH+](C)C[C@@H](NC(=S)NCCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000863229894 653704330 /nfs/dbraw/zinc/70/43/30/653704330.db2.gz ALVVKPNLBSFZEA-CYBMUJFWSA-N 1 2 398.381 2.105 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCc3ccsc3[C@H]2C)cc1S(N)(=O)=O ZINC000880377960 653704904 /nfs/dbraw/zinc/70/49/04/653704904.db2.gz JWMHFSGTVBBFDS-GFCCVEGCSA-N 1 2 379.507 2.262 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCc3ccsc3[C@H]2C)cc1S(N)(=O)=O ZINC000880377960 653704907 /nfs/dbraw/zinc/70/49/07/653704907.db2.gz JWMHFSGTVBBFDS-GFCCVEGCSA-N 1 2 379.507 2.262 20 0 GEADLO COC(=O)[C@]1(O)CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000880563192 653708142 /nfs/dbraw/zinc/70/81/42/653708142.db2.gz ZFJBXQCAYGSUEN-INIZCTEOSA-N 1 2 381.226 2.214 20 0 GEADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000880563192 653708143 /nfs/dbraw/zinc/70/81/43/653708143.db2.gz ZFJBXQCAYGSUEN-INIZCTEOSA-N 1 2 381.226 2.214 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)c(Br)n1 ZINC000817391627 653709980 /nfs/dbraw/zinc/70/99/80/653709980.db2.gz CCAUDVNZPZWDNG-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO O=c1c2ccc[nH]c-2cn1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000785501191 653710782 /nfs/dbraw/zinc/71/07/82/653710782.db2.gz KTXKSPGCPSJYPP-UHFFFAOYSA-N 1 2 376.258 2.291 20 0 GEADLO O=C(Cn1c(Br)cccc1=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000817586158 653715019 /nfs/dbraw/zinc/71/50/19/653715019.db2.gz PHXAIVKGKWOLOW-UHFFFAOYSA-N 1 2 396.310 2.017 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c(F)cc1Cl ZINC000841508918 653723398 /nfs/dbraw/zinc/72/33/98/653723398.db2.gz HBUPLPVATOMFHA-WDEREUQCSA-N 1 2 392.880 2.369 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(F)cc1Cl ZINC000841508918 653723399 /nfs/dbraw/zinc/72/33/99/653723399.db2.gz HBUPLPVATOMFHA-WDEREUQCSA-N 1 2 392.880 2.369 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)c3ncccn3)cc2Br)CC1 ZINC000787667941 653741767 /nfs/dbraw/zinc/74/17/67/653741767.db2.gz ABYHZZPJXCPQOU-UHFFFAOYSA-N 1 2 376.258 2.243 20 0 GEADLO C[C@@H]1CN(c2cc(Br)cnc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000842045958 653744156 /nfs/dbraw/zinc/74/41/56/653744156.db2.gz NBYWIOWWKXIZPB-ZJUUUORDSA-N 1 2 393.123 2.498 20 0 GEADLO C[C@@H]1CN(c2cc(Br)cnc2Br)[C@@H](C)C[N@H+]1CCO ZINC000842045958 653744161 /nfs/dbraw/zinc/74/41/61/653744161.db2.gz NBYWIOWWKXIZPB-ZJUUUORDSA-N 1 2 393.123 2.498 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C1CCCCC1 ZINC000881870501 653745373 /nfs/dbraw/zinc/74/53/73/653745373.db2.gz SHLFQULFUBYCAR-WNSKOXEYSA-N 1 2 377.576 2.222 20 0 GEADLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864827249 653746145 /nfs/dbraw/zinc/74/61/45/653746145.db2.gz FFCCCSQPTTVURQ-KBPBESRZSA-N 1 2 383.235 2.380 20 0 GEADLO C[C@](O)(C[NH2+]Cc1nc2ncccn2n1)c1ccc(Br)cc1F ZINC000819371429 653749820 /nfs/dbraw/zinc/74/98/20/653749820.db2.gz JXEDRZNROCXUJC-HNNXBMFYSA-N 1 2 380.221 2.023 20 0 GEADLO CON(C)C(=O)CCNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000819475444 653751282 /nfs/dbraw/zinc/75/12/82/653751282.db2.gz PBOWWEDLZBBXRU-UHFFFAOYSA-N 1 2 385.306 2.023 20 0 GEADLO COCC[NH+]1CCC(NC(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000865015463 653751384 /nfs/dbraw/zinc/75/13/84/653751384.db2.gz XJFYZHIFDIADGF-UHFFFAOYSA-N 1 2 375.238 2.134 20 0 GEADLO C[C@H](c1nnc(SCCn2cnnn2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000882029185 653758023 /nfs/dbraw/zinc/75/80/23/653758023.db2.gz BZAULAFNLZFSPW-LLVKDONJSA-N 1 2 378.893 2.322 20 0 GEADLO CSCCCCCCNC(=S)N1CC[NH+](CCc2cnccn2)CC1 ZINC000865260336 653758191 /nfs/dbraw/zinc/75/81/91/653758191.db2.gz VVLKQMSMKVETRZ-UHFFFAOYSA-N 1 2 381.615 2.435 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)[C@H](C)C1 ZINC000788671388 653762820 /nfs/dbraw/zinc/76/28/20/653762820.db2.gz IPIRQVKCFOBBGX-MNOVXSKESA-N 1 2 389.930 2.025 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)[C@H](C)C1 ZINC000788671388 653762822 /nfs/dbraw/zinc/76/28/22/653762822.db2.gz IPIRQVKCFOBBGX-MNOVXSKESA-N 1 2 389.930 2.025 20 0 GEADLO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CC[NH2+]C[C@H]1C(F)F ZINC000842864981 653770984 /nfs/dbraw/zinc/77/09/84/653770984.db2.gz QHDYAWHQJMRRHB-ZCRIDZFUSA-N 1 2 381.242 2.289 20 0 GEADLO C[C@H]1CN=C(N2CCN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)CC2)S1 ZINC000820283748 653771056 /nfs/dbraw/zinc/77/10/56/653771056.db2.gz NGBPJCCJALZLFU-NWDGAFQWSA-N 1 2 375.420 2.012 20 0 GEADLO C[C@@H](O)CCC[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000789306179 653771494 /nfs/dbraw/zinc/77/14/94/653771494.db2.gz OLINKIKVVWVKNQ-CYBMUJFWSA-N 1 2 380.432 2.173 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cc(Br)ccc1F ZINC000842960907 653774752 /nfs/dbraw/zinc/77/47/52/653774752.db2.gz DOBWAQOJHKCGOL-DGCLKSJQSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cc(Br)ccc1F ZINC000842960907 653774753 /nfs/dbraw/zinc/77/47/53/653774753.db2.gz DOBWAQOJHKCGOL-DGCLKSJQSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(F)c(Cl)c1 ZINC000842963298 653774891 /nfs/dbraw/zinc/77/48/91/653774891.db2.gz KPOXJFVKOBLZBG-OCCSQVGLSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(F)c(Cl)c1 ZINC000842963298 653774893 /nfs/dbraw/zinc/77/48/93/653774893.db2.gz KPOXJFVKOBLZBG-OCCSQVGLSA-N 1 2 375.824 2.137 20 0 GEADLO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1c(I)cnn1C ZINC000865868403 653778144 /nfs/dbraw/zinc/77/81/44/653778144.db2.gz JARHADAIVSUHIL-UHFFFAOYSA-N 1 2 399.158 2.067 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)NCC1(c2cccc(Br)c2)CC1 ZINC000865894142 653778971 /nfs/dbraw/zinc/77/89/71/653778971.db2.gz PFFTUZDHUUAMAG-DJWKRKHSSA-N 1 2 379.298 2.485 20 0 GEADLO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Br)no2)C1 ZINC000866130267 653786558 /nfs/dbraw/zinc/78/65/58/653786558.db2.gz MMJQOTSDETVKRW-CQSZACIVSA-N 1 2 394.269 2.376 20 0 GEADLO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)c2cc(Br)no2)C1 ZINC000866130267 653786560 /nfs/dbraw/zinc/78/65/60/653786560.db2.gz MMJQOTSDETVKRW-CQSZACIVSA-N 1 2 394.269 2.376 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)CC1 ZINC000882540838 653787570 /nfs/dbraw/zinc/78/75/70/653787570.db2.gz ZOAVVSXJAWYNOQ-LBPRGKRZSA-N 1 2 383.901 2.064 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)CC1 ZINC000882540838 653787573 /nfs/dbraw/zinc/78/75/73/653787573.db2.gz ZOAVVSXJAWYNOQ-LBPRGKRZSA-N 1 2 383.901 2.064 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(Br)cc2Cl)C1 ZINC000866386849 653792399 /nfs/dbraw/zinc/79/23/99/653792399.db2.gz HPYIMIQARNLGCX-SNVBAGLBSA-N 1 2 384.679 2.142 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(Br)cc2Cl)C1 ZINC000866386849 653792401 /nfs/dbraw/zinc/79/24/01/653792401.db2.gz HPYIMIQARNLGCX-SNVBAGLBSA-N 1 2 384.679 2.142 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)Nc1ccc(F)cc1I ZINC000866388453 653792463 /nfs/dbraw/zinc/79/24/63/653792463.db2.gz JPLYOCQYDJIIKU-UPHRSURJSA-N 1 2 390.196 2.257 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@H]1Cc1ccccc1 ZINC000790458045 653792565 /nfs/dbraw/zinc/79/25/65/653792565.db2.gz BCWLDSSENIFEAW-QGZVFWFLSA-N 1 2 379.913 2.424 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@H]1Cc1ccccc1 ZINC000790458045 653792567 /nfs/dbraw/zinc/79/25/67/653792567.db2.gz BCWLDSSENIFEAW-QGZVFWFLSA-N 1 2 379.913 2.424 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(Cl)cc2Br)C1 ZINC000866394790 653792895 /nfs/dbraw/zinc/79/28/95/653792895.db2.gz FZKAIIRNTMEBDS-SNVBAGLBSA-N 1 2 384.679 2.142 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(Cl)cc2Br)C1 ZINC000866394790 653792897 /nfs/dbraw/zinc/79/28/97/653792897.db2.gz FZKAIIRNTMEBDS-SNVBAGLBSA-N 1 2 384.679 2.142 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)Cc1noc2ccc(Br)cc21 ZINC000821339456 653795407 /nfs/dbraw/zinc/79/54/07/653795407.db2.gz XXJOGWPVEZDYFS-LLVKDONJSA-N 1 2 383.242 2.397 20 0 GEADLO Cc1cc(N2CCN(CCn3cnc(Br)n3)CC2)nc(C(C)C)[nH+]1 ZINC000821349556 653795652 /nfs/dbraw/zinc/79/56/52/653795652.db2.gz ZCBADXUJUVKMDN-UHFFFAOYSA-N 1 2 394.321 2.085 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000844138740 653802392 /nfs/dbraw/zinc/80/23/92/653802392.db2.gz JNGCCLVUMXLPAH-HUUCEWRRSA-N 1 2 392.253 2.033 20 0 GEADLO CC(C)[C@@H](CNC(=O)CSC(=S)N1CCC(C)CC1)[NH+]1CCOCC1 ZINC000844151038 653802568 /nfs/dbraw/zinc/80/25/68/653802568.db2.gz NSUFXLUNPJDQEX-MRXNPFEDSA-N 1 2 387.615 2.209 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)C[C@@H](C)O1 ZINC000866596501 653805380 /nfs/dbraw/zinc/80/53/80/653805380.db2.gz GLNDJNABMOTGEJ-KBXIAJHMSA-N 1 2 399.384 2.474 20 0 GEADLO Cn1cc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c(I)n1 ZINC000895055617 653814612 /nfs/dbraw/zinc/81/46/12/653814612.db2.gz RAYNFJLVPXKVLP-HNNXBMFYSA-N 1 2 385.249 2.364 20 0 GEADLO Cn1cc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c(I)n1 ZINC000895055617 653814614 /nfs/dbraw/zinc/81/46/14/653814614.db2.gz RAYNFJLVPXKVLP-HNNXBMFYSA-N 1 2 385.249 2.364 20 0 GEADLO COCc1cc[nH+]c(NCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)c1 ZINC000844707043 653815244 /nfs/dbraw/zinc/81/52/44/653815244.db2.gz HOJXNJJYRRXXJE-CYBMUJFWSA-N 1 2 384.889 2.358 20 0 GEADLO C[C@H](C(=O)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)[NH+]1CCSCC1 ZINC000883048805 653824126 /nfs/dbraw/zinc/82/41/26/653824126.db2.gz WJEAYTYGFWZXAL-YUELXQCFSA-N 1 2 376.444 2.074 20 0 GEADLO Cc1cc(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)ccc1Br ZINC000822364310 653825129 /nfs/dbraw/zinc/82/51/29/653825129.db2.gz FOAMSOAYPNGBBX-WBVHZDCISA-N 1 2 397.313 2.254 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCOc3c(Br)cccc3C2)CCO1 ZINC000792069892 653833680 /nfs/dbraw/zinc/83/36/80/653833680.db2.gz VXWHIYLEDAWLDO-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCOc3c(Br)cccc3C2)CCO1 ZINC000792069892 653833684 /nfs/dbraw/zinc/83/36/84/653833684.db2.gz VXWHIYLEDAWLDO-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO Cn1cc(CNc2nc(NCCO)c3ccccc3[nH+]2)c(Br)n1 ZINC000895455546 653835767 /nfs/dbraw/zinc/83/57/67/653835767.db2.gz ATNFZBHYQCKZSD-UHFFFAOYSA-N 1 2 377.246 2.142 20 0 GEADLO Cn1c(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc2cc(Br)cnc21 ZINC000822710791 653837485 /nfs/dbraw/zinc/83/74/85/653837485.db2.gz WUXNRWUBGOMIAN-UHFFFAOYSA-N 1 2 395.301 2.176 20 0 GEADLO O=C1O[C@H](C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)CC12CCC2 ZINC000792297974 653839453 /nfs/dbraw/zinc/83/94/53/653839453.db2.gz WLOXSNXMDHVSFD-JTQLQIEISA-N 1 2 376.404 2.165 20 0 GEADLO Cc1nc(N2CCN(C(=O)c3nc(Br)ccc3F)CC2)cc[nH+]1 ZINC000792324618 653839734 /nfs/dbraw/zinc/83/97/34/653839734.db2.gz UIITZYOLXHHCBB-UHFFFAOYSA-N 1 2 380.221 2.044 20 0 GEADLO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000895795640 653850322 /nfs/dbraw/zinc/85/03/22/653850322.db2.gz CTDQZBAMCDYWQE-DOMZBBRYSA-N 1 2 382.917 2.114 20 0 GEADLO OCCOCC1(O)CC[NH+](Cc2cccc(Cl)c2Br)CC1 ZINC000895829738 653851771 /nfs/dbraw/zinc/85/17/71/653851771.db2.gz TUUMGXGQHDHXEL-UHFFFAOYSA-N 1 2 378.694 2.438 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1F ZINC000866941159 653852678 /nfs/dbraw/zinc/85/26/78/653852678.db2.gz BIUOKSJSWXTWQW-OIRASMEMSA-N 1 2 386.474 2.130 20 0 GEADLO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000895924986 653857148 /nfs/dbraw/zinc/85/71/48/653857148.db2.gz RXJHAYSDRXFMJW-GFCCVEGCSA-N 1 2 391.331 2.079 20 0 GEADLO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000895924986 653857151 /nfs/dbraw/zinc/85/71/51/653857151.db2.gz RXJHAYSDRXFMJW-GFCCVEGCSA-N 1 2 391.331 2.079 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NOCC(F)F)[nH+]c12 ZINC000793047480 653864082 /nfs/dbraw/zinc/86/40/82/653864082.db2.gz AUENBMQOLMHGIY-UHFFFAOYSA-N 1 2 377.189 2.444 20 0 GEADLO CC[C@@H](CO)Nc1cc(NCC2(n3cc(Br)cn3)CC2)[nH+]cn1 ZINC000896160547 653866892 /nfs/dbraw/zinc/86/68/92/653866892.db2.gz CKOJKKWCBIPUCL-LBPRGKRZSA-N 1 2 381.278 2.220 20 0 GEADLO CC[C@@H](CO)Nc1cc(NCC2(n3cc(Br)cn3)CC2)nc[nH+]1 ZINC000896160547 653866893 /nfs/dbraw/zinc/86/68/93/653866893.db2.gz CKOJKKWCBIPUCL-LBPRGKRZSA-N 1 2 381.278 2.220 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000793238478 653871850 /nfs/dbraw/zinc/87/18/50/653871850.db2.gz OOMUFFLCZYYVLQ-HNNXBMFYSA-N 1 2 379.869 2.375 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000823628514 653874609 /nfs/dbraw/zinc/87/46/09/653874609.db2.gz VPBZREFGPATSKY-MFKMUULPSA-N 1 2 389.253 2.203 20 0 GEADLO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccnc(Cl)c2F)c1 ZINC000823905248 653882255 /nfs/dbraw/zinc/88/22/55/653882255.db2.gz UKSYABFTNGUKDQ-UHFFFAOYSA-N 1 2 387.864 2.089 20 0 GEADLO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896529264 653882338 /nfs/dbraw/zinc/88/23/38/653882338.db2.gz XSPBNFSHATZILR-XKLXXKPTSA-N 1 2 392.341 2.085 20 0 GEADLO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@@H]1CN(C)CC[N@H+]1C ZINC000896529264 653882342 /nfs/dbraw/zinc/88/23/42/653882342.db2.gz XSPBNFSHATZILR-XKLXXKPTSA-N 1 2 392.341 2.085 20 0 GEADLO COC[C@]1(C)NC(=O)N(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000793793818 653885387 /nfs/dbraw/zinc/88/53/87/653885387.db2.gz WEWNPODHOXBFHW-YOEHRIQHSA-N 1 2 383.901 2.421 20 0 GEADLO COC[C@]1(C)NC(=O)N(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000793793818 653885389 /nfs/dbraw/zinc/88/53/89/653885389.db2.gz WEWNPODHOXBFHW-YOEHRIQHSA-N 1 2 383.901 2.421 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc(Br)nc2)cn1 ZINC000846096348 653886972 /nfs/dbraw/zinc/88/69/72/653886972.db2.gz VXWJSSJMHOITRO-UHFFFAOYSA-N 1 2 389.257 2.117 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccnc(Br)c2)cn1 ZINC000846094798 653887034 /nfs/dbraw/zinc/88/70/34/653887034.db2.gz HILDYQLODPKHJJ-UHFFFAOYSA-N 1 2 389.257 2.117 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)C1 ZINC000867198563 653892498 /nfs/dbraw/zinc/89/24/98/653892498.db2.gz LDGRBUATKSIACW-LLVKDONJSA-N 1 2 378.479 2.304 20 0 GEADLO Cc1[nH]c(CNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)[nH+]c1C ZINC000896927047 653899714 /nfs/dbraw/zinc/89/97/14/653899714.db2.gz JJGPHJKOCLFODZ-LBPRGKRZSA-N 1 2 391.269 2.458 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000867234983 653900131 /nfs/dbraw/zinc/90/01/31/653900131.db2.gz PDWPIUDNKQMXMZ-GYCJOSAFSA-N 1 2 387.571 2.239 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000867234983 653900133 /nfs/dbraw/zinc/90/01/33/653900133.db2.gz PDWPIUDNKQMXMZ-GYCJOSAFSA-N 1 2 387.571 2.239 20 0 GEADLO Cc1cnc(Cl)c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000884976111 653902549 /nfs/dbraw/zinc/90/25/49/653902549.db2.gz KLGGXQPZNUZSJS-SOUVJXGZSA-N 1 2 387.933 2.306 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000846686887 653906162 /nfs/dbraw/zinc/90/61/62/653906162.db2.gz AFQYCUBLDRGADL-UHFFFAOYSA-N 1 2 380.279 2.325 20 0 GEADLO CON(C)C(=O)[C@H](CCSC)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000846925476 653913370 /nfs/dbraw/zinc/91/33/70/653913370.db2.gz NVFYNNYYOZJIBK-GJZGRUSLSA-N 1 2 387.933 2.200 20 0 GEADLO Cc1ccc2[nH+]cc(CN3CCn4ncc(I)c4C3)n2c1 ZINC000897291623 653914655 /nfs/dbraw/zinc/91/46/55/653914655.db2.gz VHUTVPHOLVTUHQ-UHFFFAOYSA-N 1 2 393.232 2.460 20 0 GEADLO CCN(C)c1ccc(C[N@@H+]2CCn3ncc(I)c3C2)cn1 ZINC000897289433 653914739 /nfs/dbraw/zinc/91/47/39/653914739.db2.gz WFHYLUNXAYYQCY-UHFFFAOYSA-N 1 2 397.264 2.355 20 0 GEADLO CCN(C)c1ccc(C[N@H+]2CCn3ncc(I)c3C2)cn1 ZINC000897289433 653914740 /nfs/dbraw/zinc/91/47/40/653914740.db2.gz WFHYLUNXAYYQCY-UHFFFAOYSA-N 1 2 397.264 2.355 20 0 GEADLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000794653822 653915797 /nfs/dbraw/zinc/91/57/97/653915797.db2.gz BAMWDEJTLXOVIW-GXSJLCMTSA-N 1 2 375.372 2.269 20 0 GEADLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000794653822 653915800 /nfs/dbraw/zinc/91/58/00/653915800.db2.gz BAMWDEJTLXOVIW-GXSJLCMTSA-N 1 2 375.372 2.269 20 0 GEADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](CO)c2cccc(Br)c2)[nH]n1 ZINC000897329323 653916659 /nfs/dbraw/zinc/91/66/59/653916659.db2.gz JXCRZIXXNUMNTO-HOTGVXAUSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](CO)c2cccc(Br)c2)[nH]n1 ZINC000897329323 653916663 /nfs/dbraw/zinc/91/66/63/653916663.db2.gz JXCRZIXXNUMNTO-HOTGVXAUSA-N 1 2 393.285 2.402 20 0 GEADLO COC(=O)[C@@H]1[C@H](C[NH2+]C2(c3ncc(Br)cn3)CCC2)C1(F)F ZINC000897351362 653917254 /nfs/dbraw/zinc/91/72/54/653917254.db2.gz CPJVNOCXRHFLBM-UWVGGRQHSA-N 1 2 376.201 2.262 20 0 GEADLO Cc1ccccc1[C@@H]1CN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)CC[NH2+]1 ZINC000825163099 653919189 /nfs/dbraw/zinc/91/91/89/653919189.db2.gz RVLBTIZWFRUGHV-ZDUSSCGKSA-N 1 2 399.925 2.144 20 0 GEADLO COC[C@@H]1CCC[N@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000825321733 653924918 /nfs/dbraw/zinc/92/49/18/653924918.db2.gz MKCMGKBMENTDQD-CABCVRRESA-N 1 2 389.949 2.453 20 0 GEADLO COC[C@@H]1CCC[N@@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000825321733 653924921 /nfs/dbraw/zinc/92/49/21/653924921.db2.gz MKCMGKBMENTDQD-CABCVRRESA-N 1 2 389.949 2.453 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2cnc(Cl)c(Br)c2)CCO1 ZINC000847419166 653928069 /nfs/dbraw/zinc/92/80/69/653928069.db2.gz PICUJIBGEPJFIG-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2cnc(Cl)c(Br)c2)CCO1 ZINC000847419166 653928072 /nfs/dbraw/zinc/92/80/72/653928072.db2.gz PICUJIBGEPJFIG-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO COc1cc(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)ccc1OCC(F)(F)F ZINC000897619340 653930877 /nfs/dbraw/zinc/93/08/77/653930877.db2.gz SUQQNLMZFBYEJP-BETUJISGSA-N 1 2 379.400 2.113 20 0 GEADLO COc1cc(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)ccc1OCC(F)(F)F ZINC000897619340 653930879 /nfs/dbraw/zinc/93/08/79/653930879.db2.gz SUQQNLMZFBYEJP-BETUJISGSA-N 1 2 379.400 2.113 20 0 GEADLO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)cc(I)c1OC ZINC000897684420 653933134 /nfs/dbraw/zinc/93/31/34/653933134.db2.gz OISHTFQVMZPOJT-BXKDBHETSA-N 1 2 377.222 2.121 20 0 GEADLO COc1cc(C[N@H+]2C[C@@H](C)[C@H](O)C2)cc(I)c1OC ZINC000897684420 653933138 /nfs/dbraw/zinc/93/31/38/653933138.db2.gz OISHTFQVMZPOJT-BXKDBHETSA-N 1 2 377.222 2.121 20 0 GEADLO CC(C)c1cc(=O)[nH]c(N2CC[C@@H]([NH2+]Cc3c(Br)cnn3C)C2)n1 ZINC000897703356 653934206 /nfs/dbraw/zinc/93/42/06/653934206.db2.gz BNMXPUHAGDMHFE-LLVKDONJSA-N 1 2 395.305 2.170 20 0 GEADLO O=C(c1csc(I)n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000825738227 653938897 /nfs/dbraw/zinc/93/88/97/653938897.db2.gz KSQJWLKEIYDJDG-QMMMGPOBSA-N 1 2 388.234 2.491 20 0 GEADLO COc1ccccc1N1CCC[N@H+](Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000897922784 653944429 /nfs/dbraw/zinc/94/44/29/653944429.db2.gz FMINTLZDXDOUJC-UHFFFAOYSA-N 1 2 381.523 2.116 20 0 GEADLO COc1ccccc1N1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000897922784 653944433 /nfs/dbraw/zinc/94/44/33/653944433.db2.gz FMINTLZDXDOUJC-UHFFFAOYSA-N 1 2 381.523 2.116 20 0 GEADLO Cc1csc([C@H]([NH2+]CC(=O)Nc2sccc2-c2nn[nH]n2)C2CC2)n1 ZINC000826320207 653949885 /nfs/dbraw/zinc/94/98/85/653949885.db2.gz JOIPWAJXMSJXJH-GFCCVEGCSA-N 1 2 375.483 2.373 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2cc(Cl)ccc2Br)C1 ZINC000867563078 653951901 /nfs/dbraw/zinc/95/19/01/653951901.db2.gz FTPVXODANOKVNX-JTQLQIEISA-N 1 2 384.679 2.142 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2cc(Cl)ccc2Br)C1 ZINC000867563078 653951907 /nfs/dbraw/zinc/95/19/07/653951907.db2.gz FTPVXODANOKVNX-JTQLQIEISA-N 1 2 384.679 2.142 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc(Cl)c(Cl)nc1C)C2 ZINC000848057367 653957540 /nfs/dbraw/zinc/95/75/40/653957540.db2.gz UIPPINNVWSYUGK-LLVKDONJSA-N 1 2 383.279 2.481 20 0 GEADLO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1n[nH]c2ccc(Br)cc21 ZINC000885869310 653960771 /nfs/dbraw/zinc/96/07/71/653960771.db2.gz QJICPOBXOPLUSY-CYBMUJFWSA-N 1 2 393.285 2.309 20 0 GEADLO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1n[nH]c2ccc(Br)cc21 ZINC000885869310 653960772 /nfs/dbraw/zinc/96/07/72/653960772.db2.gz QJICPOBXOPLUSY-CYBMUJFWSA-N 1 2 393.285 2.309 20 0 GEADLO CC1(C)SC(=O)N(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)C1=O ZINC000795659279 653962706 /nfs/dbraw/zinc/96/27/06/653962706.db2.gz XDKTXXHIVKSQBJ-SNVBAGLBSA-N 1 2 381.420 2.199 20 0 GEADLO CC1(C)SC(=O)N(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)C1=O ZINC000795659279 653962709 /nfs/dbraw/zinc/96/27/09/653962709.db2.gz XDKTXXHIVKSQBJ-SNVBAGLBSA-N 1 2 381.420 2.199 20 0 GEADLO CO[C@H]1C[C@@H]([N@H+](C)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000795676171 653962747 /nfs/dbraw/zinc/96/27/47/653962747.db2.gz XPVOGNUUEKWIHJ-JKDFXYPNSA-N 1 2 396.285 2.283 20 0 GEADLO CO[C@H]1C[C@@H]([N@@H+](C)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000795676171 653962749 /nfs/dbraw/zinc/96/27/49/653962749.db2.gz XPVOGNUUEKWIHJ-JKDFXYPNSA-N 1 2 396.285 2.283 20 0 GEADLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cn1c(=O)oc2cc(Br)ccc21 ZINC000795690090 653963160 /nfs/dbraw/zinc/96/31/60/653963160.db2.gz JLXMXLADHNFCAP-JSGCOSHPSA-N 1 2 396.285 2.110 20 0 GEADLO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cn1c(=O)oc2cc(Br)ccc21 ZINC000795690090 653963161 /nfs/dbraw/zinc/96/31/61/653963161.db2.gz JLXMXLADHNFCAP-JSGCOSHPSA-N 1 2 396.285 2.110 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cc(Cl)c(Cl)nc2C)CC1 ZINC000848247084 653966203 /nfs/dbraw/zinc/96/62/03/653966203.db2.gz YUFJUFQPVMHXJR-UHFFFAOYSA-N 1 2 376.284 2.118 20 0 GEADLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC000826999778 653970009 /nfs/dbraw/zinc/97/00/09/653970009.db2.gz BBOFXJFKTSKPAV-GFCCVEGCSA-N 1 2 390.196 2.457 20 0 GEADLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000826999778 653970012 /nfs/dbraw/zinc/97/00/12/653970012.db2.gz BBOFXJFKTSKPAV-GFCCVEGCSA-N 1 2 390.196 2.457 20 0 GEADLO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000886294637 653977366 /nfs/dbraw/zinc/97/73/66/653977366.db2.gz BWSYRENHGXAXIS-SKDRFNHKSA-N 1 2 375.281 2.097 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(C(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000827410982 653990534 /nfs/dbraw/zinc/99/05/34/653990534.db2.gz DDYDYRFKCRCVSC-GFCCVEGCSA-N 1 2 391.256 2.456 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000898896155 653991378 /nfs/dbraw/zinc/99/13/78/653991378.db2.gz MXRFUEBPBWYADH-JKIFEVAISA-N 1 2 378.270 2.310 20 0 GEADLO CC(C)(CNC(=O)c1cn(-c2ccccc2Br)nn1)n1cc[nH+]c1 ZINC000898899822 653991438 /nfs/dbraw/zinc/99/14/38/653991438.db2.gz REWXSWLSFXNCBS-UHFFFAOYSA-N 1 2 389.257 2.391 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000827445734 653991890 /nfs/dbraw/zinc/99/18/90/653991890.db2.gz XPELSTCBVGGCFN-QGZVFWFLSA-N 1 2 386.323 2.265 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)c3cc(Br)ccc3O)CC2)CC1 ZINC000827467699 653993358 /nfs/dbraw/zinc/99/33/58/653993358.db2.gz GEYFKXOMQCSKAX-UHFFFAOYSA-N 1 2 382.302 2.007 20 0 GEADLO O=c1[nH]ccn2c(C[NH2+][C@H]3CCCOc4cc(Br)ccc43)nnc12 ZINC000886703602 653995291 /nfs/dbraw/zinc/99/52/91/653995291.db2.gz YVVDKUSZIMDNRD-LBPRGKRZSA-N 1 2 390.241 2.184 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cc(Br)ccc1Cl ZINC000899054397 653997140 /nfs/dbraw/zinc/99/71/40/653997140.db2.gz XWOQGVIYRCNYOQ-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cc(Br)ccc1Cl ZINC000899054397 653997142 /nfs/dbraw/zinc/99/71/42/653997142.db2.gz XWOQGVIYRCNYOQ-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1ccc(SC(F)(F)F)cc1 ZINC000899054175 653997232 /nfs/dbraw/zinc/99/72/32/653997232.db2.gz VKPDSXBQRMWMFE-UHFFFAOYSA-N 1 2 376.400 2.477 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1ccc(SC(F)(F)F)cc1 ZINC000899054175 653997234 /nfs/dbraw/zinc/99/72/34/653997234.db2.gz VKPDSXBQRMWMFE-UHFFFAOYSA-N 1 2 376.400 2.477 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000867875371 654002136 /nfs/dbraw/zinc/00/21/36/654002136.db2.gz FOSANWOKFATVNK-SVERHTFXSA-N 1 2 394.313 2.032 20 0 GEADLO CC(C)n1ncc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1Br ZINC000867932389 654008849 /nfs/dbraw/zinc/00/88/49/654008849.db2.gz WVDYSBZNQUACJD-UHFFFAOYSA-N 1 2 387.322 2.409 20 0 GEADLO CC(C)n1ncc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1Br ZINC000867932389 654008852 /nfs/dbraw/zinc/00/88/52/654008852.db2.gz WVDYSBZNQUACJD-UHFFFAOYSA-N 1 2 387.322 2.409 20 0 GEADLO CCOc1ccc(Br)c(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c1F ZINC000827910436 654012494 /nfs/dbraw/zinc/01/24/94/654012494.db2.gz JZAGJWYHQUGLFN-GFCCVEGCSA-N 1 2 397.248 2.497 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3cc(F)cc(Br)c3F)CC[NH2+]2)cn1 ZINC000827918342 654012817 /nfs/dbraw/zinc/01/28/17/654012817.db2.gz UGEGMFKJLYBFIZ-ZDUSSCGKSA-N 1 2 385.212 2.248 20 0 GEADLO Cc1c(Br)cc(F)cc1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000827917154 654012842 /nfs/dbraw/zinc/01/28/42/654012842.db2.gz NTZFORKYRFFVGL-HNNXBMFYSA-N 1 2 381.249 2.417 20 0 GEADLO O=C(N[C@@H]1COc2cccc(Br)c2C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000828026631 654016453 /nfs/dbraw/zinc/01/64/53/654016453.db2.gz FNMIGGSUXDRGGX-RYUDHWBXSA-N 1 2 376.254 2.328 20 0 GEADLO O=C(N[C@@H]1COc2cccc(Br)c2C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000828027412 654017134 /nfs/dbraw/zinc/01/71/34/654017134.db2.gz QZBFJBZGPCTCQR-RYUDHWBXSA-N 1 2 376.254 2.328 20 0 GEADLO CNC(=O)C1([NH2+]Cc2ncc(-c3cccc(Br)c3)o2)CCOCC1 ZINC000887086536 654019992 /nfs/dbraw/zinc/01/99/92/654019992.db2.gz RTUMUBKKOAVZRN-UHFFFAOYSA-N 1 2 394.269 2.489 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000849407959 654025628 /nfs/dbraw/zinc/02/56/28/654025628.db2.gz RDNSLKMWEHVOGV-LLVKDONJSA-N 1 2 394.324 2.262 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000849407959 654025635 /nfs/dbraw/zinc/02/56/35/654025635.db2.gz RDNSLKMWEHVOGV-LLVKDONJSA-N 1 2 394.324 2.262 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cn2ccnc12 ZINC000868274658 654026867 /nfs/dbraw/zinc/02/68/67/654026867.db2.gz FZBGYYZIAKEGRC-JSGCOSHPSA-N 1 2 393.285 2.032 20 0 GEADLO CC1=C(Br)CN([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000797527326 654035089 /nfs/dbraw/zinc/03/50/89/654035089.db2.gz NQPPULCITBKAKU-HNNXBMFYSA-N 1 2 393.329 2.493 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N[C@@H]1COc2cccc(Br)c2C1 ZINC000868521380 654041228 /nfs/dbraw/zinc/04/12/28/654041228.db2.gz WRQVJJYTUSOYFJ-NEPJUHHUSA-N 1 2 391.269 2.263 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000868563421 654043771 /nfs/dbraw/zinc/04/37/71/654043771.db2.gz HJCGDHBBJXKJRJ-UPHRSURJSA-N 1 2 391.269 2.462 20 0 GEADLO O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868748015 654054092 /nfs/dbraw/zinc/05/40/92/654054092.db2.gz JXLILFRXQZLTBR-CQSZACIVSA-N 1 2 386.327 2.320 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1nc(C(C)C)ncc1Br ZINC000828926733 654055063 /nfs/dbraw/zinc/05/50/63/654055063.db2.gz AFFARBSWCNKSSZ-LBPRGKRZSA-N 1 2 385.306 2.203 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1nc(C(C)C)ncc1Br ZINC000828926733 654055067 /nfs/dbraw/zinc/05/50/67/654055067.db2.gz AFFARBSWCNKSSZ-LBPRGKRZSA-N 1 2 385.306 2.203 20 0 GEADLO COc1ccc(Br)c(CNC(=O)/C=C(/C)C[NH+]2CCOCC2)c1 ZINC000900260307 654056755 /nfs/dbraw/zinc/05/67/55/654056755.db2.gz BFGNTDHGYJKFOH-LCYFTJDESA-N 1 2 383.286 2.352 20 0 GEADLO CC[C@@H](c1nnc(S[C@H]2CCSC2)n1CCN1CCOCC1)[NH+](C)C ZINC000849849682 654059148 /nfs/dbraw/zinc/05/91/48/654059148.db2.gz FOBGTDVOJORKND-GJZGRUSLSA-N 1 2 385.603 2.221 20 0 GEADLO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)C(=O)OC(C)(C)C ZINC000798396996 654061440 /nfs/dbraw/zinc/06/14/40/654061440.db2.gz OWRZQFJOKTYVFF-GFCCVEGCSA-N 1 2 376.906 2.328 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c2ccccc2C1 ZINC000798435426 654062999 /nfs/dbraw/zinc/06/29/99/654062999.db2.gz PHAZSDHJLXCPOR-UHFFFAOYSA-N 1 2 379.869 2.080 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c2ccccc2C1 ZINC000798435426 654063000 /nfs/dbraw/zinc/06/30/00/654063000.db2.gz PHAZSDHJLXCPOR-UHFFFAOYSA-N 1 2 379.869 2.080 20 0 GEADLO Cc1nc(N2CCN(C(=O)[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)cc[nH+]1 ZINC000829253502 654063443 /nfs/dbraw/zinc/06/34/43/654063443.db2.gz UCFHSRYGGRMANX-INIZCTEOSA-N 1 2 381.263 2.474 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2ccc(OC(F)F)c(Br)c2)CC1 ZINC000900684352 654076441 /nfs/dbraw/zinc/07/64/41/654076441.db2.gz NVLHNOOGLAESCK-UHFFFAOYSA-N 1 2 393.228 2.455 20 0 GEADLO Cc1nccnc1N1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000799325381 654092241 /nfs/dbraw/zinc/09/22/41/654092241.db2.gz BSEYTSMGOYTYSW-MRXNPFEDSA-N 1 2 377.286 2.403 20 0 GEADLO OC(CN1CCC=C(Br)C1)C[N@@H+]1CCC=C(Br)C1 ZINC000799328416 654092708 /nfs/dbraw/zinc/09/27/08/654092708.db2.gz LWCPLEUXDGINER-UHFFFAOYSA-N 1 2 380.124 2.316 20 0 GEADLO OC(CN1CCC=C(Br)C1)C[N@H+]1CCC=C(Br)C1 ZINC000799328416 654092710 /nfs/dbraw/zinc/09/27/10/654092710.db2.gz LWCPLEUXDGINER-UHFFFAOYSA-N 1 2 380.124 2.316 20 0 GEADLO O=C(c1ccc(C(F)(F)Br)nc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000830035588 654094424 /nfs/dbraw/zinc/09/44/24/654094424.db2.gz OLETWTYGMDZYBF-GFCCVEGCSA-N 1 2 390.228 2.073 20 0 GEADLO CC[C@@H](CO)Sc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000916723364 654105849 /nfs/dbraw/zinc/10/58/49/654105849.db2.gz RKHMXWBWXRHSTR-ZDUSSCGKSA-N 1 2 383.539 2.043 20 0 GEADLO CC[C@H](CO)Sc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000916723361 654106025 /nfs/dbraw/zinc/10/60/25/654106025.db2.gz RKHMXWBWXRHSTR-CYBMUJFWSA-N 1 2 383.539 2.043 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000830487029 654120702 /nfs/dbraw/zinc/12/07/02/654120702.db2.gz LQZYEVGVZOJQTH-LBPRGKRZSA-N 1 2 385.258 2.493 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000830487029 654120706 /nfs/dbraw/zinc/12/07/06/654120706.db2.gz LQZYEVGVZOJQTH-LBPRGKRZSA-N 1 2 385.258 2.493 20 0 GEADLO CCOC(=O)C1([S@](C)=O)CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000830543957 654124806 /nfs/dbraw/zinc/12/48/06/654124806.db2.gz AZUNXLQPKJUCCS-BZQUYTCOSA-N 1 2 391.892 2.289 20 0 GEADLO CC1CC[NH+]([C@@H](CNC(=O)[C@]2(F)CCS(=O)(=O)C2)c2cccs2)CC1 ZINC000901457197 654126065 /nfs/dbraw/zinc/12/60/65/654126065.db2.gz UAEFYBWJGMYEQQ-YOEHRIQHSA-N 1 2 388.530 2.164 20 0 GEADLO CC1CC[NH+]([C@H](CNC(=O)[C@@]2(F)CCS(=O)(=O)C2)c2cccs2)CC1 ZINC000901457195 654126159 /nfs/dbraw/zinc/12/61/59/654126159.db2.gz UAEFYBWJGMYEQQ-RHSMWYFYSA-N 1 2 388.530 2.164 20 0 GEADLO CC(=O)N[C@@H](C(=O)OCCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000869975947 654133434 /nfs/dbraw/zinc/13/34/34/654133434.db2.gz ABUZZRSWTZOMAO-OAHLLOKOSA-N 1 2 380.242 2.456 20 0 GEADLO O=C(CCc1c(Cl)cccc1Cl)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870059602 654141487 /nfs/dbraw/zinc/14/14/87/654141487.db2.gz VUMSQSDESMBEIU-AWEZNQCLSA-N 1 2 387.307 2.486 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)[C@H](O)C3CCC3)cc2Br)CC1 ZINC000830808792 654144054 /nfs/dbraw/zinc/14/40/54/654144054.db2.gz QHJBBDMIYZVYNY-MRXNPFEDSA-N 1 2 382.302 2.300 20 0 GEADLO O=C(NCCSC(F)(F)F)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000918179632 654144586 /nfs/dbraw/zinc/14/45/86/654144586.db2.gz SSRMEDYYYNERPL-CQSZACIVSA-N 1 2 377.432 2.440 20 0 GEADLO O=C(NCCSC(F)(F)F)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000918179632 654144590 /nfs/dbraw/zinc/14/45/90/654144590.db2.gz SSRMEDYYYNERPL-CQSZACIVSA-N 1 2 377.432 2.440 20 0 GEADLO O=S(=O)(C1CC[NH+](Cc2occc2Br)CC1)N1CCCC1 ZINC000800538410 654148458 /nfs/dbraw/zinc/14/84/58/654148458.db2.gz WPSGGXPRDRJTCE-UHFFFAOYSA-N 1 2 377.304 2.432 20 0 GEADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCc1ncc(Br)cn1 ZINC000889713519 654160854 /nfs/dbraw/zinc/16/08/54/654160854.db2.gz QUGSUZSEMOCMHI-SECBINFHSA-N 1 2 378.152 2.246 20 0 GEADLO Cc1nn(C)c(Br)c1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000801088343 654176820 /nfs/dbraw/zinc/17/68/20/654176820.db2.gz BHLHRGUOMRNHGS-UHFFFAOYSA-N 1 2 383.315 2.341 20 0 GEADLO Cc1nn(C)c(Br)c1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000801088343 654176827 /nfs/dbraw/zinc/17/68/27/654176827.db2.gz BHLHRGUOMRNHGS-UHFFFAOYSA-N 1 2 383.315 2.341 20 0 GEADLO C[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000919989739 654198707 /nfs/dbraw/zinc/19/87/07/654198707.db2.gz LBLGMRZKTKCFJT-TVQRCGJNSA-N 1 2 384.304 2.045 20 0 GEADLO C[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000919989739 654198710 /nfs/dbraw/zinc/19/87/10/654198710.db2.gz LBLGMRZKTKCFJT-TVQRCGJNSA-N 1 2 384.304 2.045 20 0 GEADLO NS(=O)(=O)c1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1Cl ZINC000920305129 654209763 /nfs/dbraw/zinc/20/97/63/654209763.db2.gz APHIVHZOKDECBH-UHFFFAOYSA-N 1 2 399.925 2.007 20 0 GEADLO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC000903020756 654210293 /nfs/dbraw/zinc/21/02/93/654210293.db2.gz FOIKTNFUUBPCSF-GOSISDBHSA-N 1 2 382.551 2.450 20 0 GEADLO Cn1nc(Br)cc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870995694 654215263 /nfs/dbraw/zinc/21/52/63/654215263.db2.gz SCPIATJBXIECSH-UHFFFAOYSA-N 1 2 396.314 2.061 20 0 GEADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000802240645 654223736 /nfs/dbraw/zinc/22/37/36/654223736.db2.gz BTRCEUSKSOOZFL-LSDHHAIUSA-N 1 2 386.876 2.442 20 0 GEADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000802240645 654223738 /nfs/dbraw/zinc/22/37/38/654223738.db2.gz BTRCEUSKSOOZFL-LSDHHAIUSA-N 1 2 386.876 2.442 20 0 GEADLO CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2cnc(Cl)s2)nc[nH+]1 ZINC000920837173 654225321 /nfs/dbraw/zinc/22/53/21/654225321.db2.gz XUCYDSYOWOXCRD-SNVBAGLBSA-N 1 2 381.893 2.096 20 0 GEADLO CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2cnc(Cl)s2)[nH+]cn1 ZINC000920837173 654225324 /nfs/dbraw/zinc/22/53/24/654225324.db2.gz XUCYDSYOWOXCRD-SNVBAGLBSA-N 1 2 381.893 2.096 20 0 GEADLO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2cnc(Cl)s2)nc[nH+]1 ZINC000920837170 654225397 /nfs/dbraw/zinc/22/53/97/654225397.db2.gz XUCYDSYOWOXCRD-JTQLQIEISA-N 1 2 381.893 2.096 20 0 GEADLO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2cnc(Cl)s2)[nH+]cn1 ZINC000920837170 654225400 /nfs/dbraw/zinc/22/54/00/654225400.db2.gz XUCYDSYOWOXCRD-JTQLQIEISA-N 1 2 381.893 2.096 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000920923675 654226805 /nfs/dbraw/zinc/22/68/05/654226805.db2.gz DAOSEAJLLLQSMT-SWLSCSKDSA-N 1 2 378.416 2.063 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NC[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000920923675 654226809 /nfs/dbraw/zinc/22/68/09/654226809.db2.gz DAOSEAJLLLQSMT-SWLSCSKDSA-N 1 2 378.416 2.063 20 0 GEADLO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]Cc1nc(CN(C)C)cs1 ZINC000903218627 654228061 /nfs/dbraw/zinc/22/80/61/654228061.db2.gz ALMDOXUDQPQQJG-CYBMUJFWSA-N 1 2 382.555 2.320 20 0 GEADLO CN(C)Cc1csc(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)n1 ZINC000903221615 654228081 /nfs/dbraw/zinc/22/80/81/654228081.db2.gz XFYJPEZESQYLNF-MRXNPFEDSA-N 1 2 380.539 2.019 20 0 GEADLO C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ncc(Br)cc1F ZINC000903290653 654232431 /nfs/dbraw/zinc/23/24/31/654232431.db2.gz BEXZHYLZBZUXPL-SNVBAGLBSA-N 1 2 380.283 2.059 20 0 GEADLO COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)CCn1cc[nH+]c1 ZINC000871397591 654233152 /nfs/dbraw/zinc/23/31/52/654233152.db2.gz WEFRZFHYRNEYSP-CYBMUJFWSA-N 1 2 386.271 2.470 20 0 GEADLO C[C@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1cc2n(n1)CCC2 ZINC000903326495 654234220 /nfs/dbraw/zinc/23/42/20/654234220.db2.gz QUEOKFVOKUTYNP-LKFCYVNXSA-N 1 2 376.258 2.201 20 0 GEADLO CC(C)(C)OC(=O)NC1CC[NH+](CCNS(=O)(=O)c2cccs2)CC1 ZINC000921151017 654236966 /nfs/dbraw/zinc/23/69/66/654236966.db2.gz YFLVXXTVQCUMFL-UHFFFAOYSA-N 1 2 389.543 2.016 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c(Br)c1OC ZINC000852432440 654239180 /nfs/dbraw/zinc/23/91/80/654239180.db2.gz NNEZTLYSULMFIP-LBPRGKRZSA-N 1 2 385.258 2.493 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c(Br)c1OC ZINC000852432440 654239182 /nfs/dbraw/zinc/23/91/82/654239182.db2.gz NNEZTLYSULMFIP-LBPRGKRZSA-N 1 2 385.258 2.493 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000852495431 654244696 /nfs/dbraw/zinc/24/46/96/654244696.db2.gz KXBMNQSZQPDPHZ-ABAIWWIYSA-N 1 2 381.270 2.336 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000852495431 654244698 /nfs/dbraw/zinc/24/46/98/654244698.db2.gz KXBMNQSZQPDPHZ-ABAIWWIYSA-N 1 2 381.270 2.336 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1cscc1Br ZINC000921320695 654246719 /nfs/dbraw/zinc/24/67/19/654246719.db2.gz QJMUSPOFSNJAKA-GHMZBOCLSA-N 1 2 397.385 2.369 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1cscc1Br ZINC000921320695 654246722 /nfs/dbraw/zinc/24/67/22/654246722.db2.gz QJMUSPOFSNJAKA-GHMZBOCLSA-N 1 2 397.385 2.369 20 0 GEADLO Cc1ccncc1C[NH+]1CCC(n2nncc2I)CC1 ZINC000852533063 654247176 /nfs/dbraw/zinc/24/71/76/654247176.db2.gz SMVOFDPRULXGLK-UHFFFAOYSA-N 1 2 383.237 2.423 20 0 GEADLO O=S(=O)(Cc1cccc(F)c1Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000903522036 654248176 /nfs/dbraw/zinc/24/81/76/654248176.db2.gz MMZXGFSEMZDCHO-JTQLQIEISA-N 1 2 387.221 2.005 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852652763 654252813 /nfs/dbraw/zinc/25/28/13/654252813.db2.gz DSEDJFIOGNZDIN-IUODEOHRSA-N 1 2 388.281 2.309 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852652763 654252817 /nfs/dbraw/zinc/25/28/17/654252817.db2.gz DSEDJFIOGNZDIN-IUODEOHRSA-N 1 2 388.281 2.309 20 0 GEADLO C[C@@H]1CC[N@H+](C[C@@H](O)COCc2cccs2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852758355 654259007 /nfs/dbraw/zinc/25/90/07/654259007.db2.gz FGRHQXVWJZHFKS-BZPMIXESSA-N 1 2 380.432 2.015 20 0 GEADLO C[C@@H]1CC[N@@H+](C[C@@H](O)COCc2cccs2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852758355 654259009 /nfs/dbraw/zinc/25/90/09/654259009.db2.gz FGRHQXVWJZHFKS-BZPMIXESSA-N 1 2 380.432 2.015 20 0 GEADLO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921415208 654265465 /nfs/dbraw/zinc/26/54/65/654265465.db2.gz HFDDBJFJUCOSRN-VIFPVBQESA-N 1 2 383.695 2.094 20 0 GEADLO COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000921415208 654265466 /nfs/dbraw/zinc/26/54/66/654265466.db2.gz HFDDBJFJUCOSRN-VIFPVBQESA-N 1 2 383.695 2.094 20 0 GEADLO CN1C(=O)N(C[C@@H]2CN(C)CC[N@@H+]2C)C(=O)[C@@H]1c1cccc(Cl)c1Cl ZINC000853086165 654278760 /nfs/dbraw/zinc/27/87/60/654278760.db2.gz FXLUFKRHDFXCHC-NHYWBVRUSA-N 1 2 385.295 2.174 20 0 GEADLO CN1C(=O)N(C[C@@H]2CN(C)CC[N@H+]2C)C(=O)[C@@H]1c1cccc(Cl)c1Cl ZINC000853086165 654278762 /nfs/dbraw/zinc/27/87/62/654278762.db2.gz FXLUFKRHDFXCHC-NHYWBVRUSA-N 1 2 385.295 2.174 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(Br)c[nH]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000921564719 654281207 /nfs/dbraw/zinc/28/12/07/654281207.db2.gz WLZGLARIZZSXEQ-SNVBAGLBSA-N 1 2 387.303 2.273 20 0 GEADLO [NH3+][C@@H](c1nc([C@@H]2CC(=O)N(C3CC3)C2)no1)c1ccc(Br)cc1 ZINC000904095209 654301256 /nfs/dbraw/zinc/30/12/56/654301256.db2.gz YJBJBRZYGKYEBB-QMTHXVAHSA-N 1 2 377.242 2.359 20 0 GEADLO O=C(C1=COCCO1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804269335 654304248 /nfs/dbraw/zinc/30/42/48/654304248.db2.gz VXNGOGFRONTDSO-UHFFFAOYSA-N 1 2 382.214 2.156 20 0 GEADLO C[C@H](CNC(=O)c1nnc(-c2cscn2)o1)[N@@H+]1CCc2sccc2C1 ZINC000904433833 654310298 /nfs/dbraw/zinc/31/02/98/654310298.db2.gz CBKZDPOGIUSZRT-SNVBAGLBSA-N 1 2 375.479 2.431 20 0 GEADLO C[C@H](CNC(=O)c1nnc(-c2cscn2)o1)[N@H+]1CCc2sccc2C1 ZINC000904433833 654310304 /nfs/dbraw/zinc/31/03/04/654310304.db2.gz CBKZDPOGIUSZRT-SNVBAGLBSA-N 1 2 375.479 2.431 20 0 GEADLO C[C@]1(C(F)F)C[N@H+](Cn2nc(Br)c(=O)c3ccccc32)CCO1 ZINC000853634162 654312005 /nfs/dbraw/zinc/31/20/05/654312005.db2.gz ISLUFQRYMJQYMH-OAHLLOKOSA-N 1 2 388.212 2.473 20 0 GEADLO C[C@]1(C(F)F)C[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)CCO1 ZINC000853634162 654312010 /nfs/dbraw/zinc/31/20/10/654312010.db2.gz ISLUFQRYMJQYMH-OAHLLOKOSA-N 1 2 388.212 2.473 20 0 GEADLO Cc1nc(N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c(Br)c(C)[nH+]1 ZINC000853652828 654313167 /nfs/dbraw/zinc/31/31/67/654313167.db2.gz XFLUNQWXUGNWCL-LLVKDONJSA-N 1 2 389.294 2.178 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2ccc(Br)cc2F)[C@@H](C)CO1 ZINC000853718283 654317602 /nfs/dbraw/zinc/31/76/02/654317602.db2.gz DDUZJBMXGSWASF-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(Br)cc2F)[C@@H](C)CO1 ZINC000853718283 654317609 /nfs/dbraw/zinc/31/76/09/654317609.db2.gz DDUZJBMXGSWASF-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO O=C(C[N@@H+]1CCNC(=O)CC12CCOCC2)Nc1ccc(Cl)cc1Cl ZINC000872286515 654321716 /nfs/dbraw/zinc/32/17/16/654321716.db2.gz JQELZZGYJIMKOR-UHFFFAOYSA-N 1 2 386.279 2.303 20 0 GEADLO O=C(C[N@H+]1CCNC(=O)CC12CCOCC2)Nc1ccc(Cl)cc1Cl ZINC000872286515 654321719 /nfs/dbraw/zinc/32/17/19/654321719.db2.gz JQELZZGYJIMKOR-UHFFFAOYSA-N 1 2 386.279 2.303 20 0 GEADLO CC(C)c1nc(S(=O)(=O)N(C)C)cn1Cc1[nH+]ccn1CC(F)(F)F ZINC000905100267 654331849 /nfs/dbraw/zinc/33/18/49/654331849.db2.gz LXJUJKQGUAVLTJ-UHFFFAOYSA-N 1 2 379.408 2.064 20 0 GEADLO Cn1nc2c(c1C[N@H+](C)[C@@H](CO)c1cccc(Br)c1)COCC2 ZINC000892160374 654332122 /nfs/dbraw/zinc/33/21/22/654332122.db2.gz VUOGAVSVCSCGDV-KRWDZBQOSA-N 1 2 380.286 2.421 20 0 GEADLO Cn1nc2c(c1C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1)COCC2 ZINC000892160374 654332129 /nfs/dbraw/zinc/33/21/29/654332129.db2.gz VUOGAVSVCSCGDV-KRWDZBQOSA-N 1 2 380.286 2.421 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000905145006 654334671 /nfs/dbraw/zinc/33/46/71/654334671.db2.gz XXUIPZRUUWLBHZ-YPMHNXCESA-N 1 2 379.262 2.371 20 0 GEADLO Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000805031715 654337952 /nfs/dbraw/zinc/33/79/52/654337952.db2.gz OFIPCJHJPYPECQ-AWEZNQCLSA-N 1 2 387.933 2.355 20 0 GEADLO O=S(=O)(c1ccc(F)c(C(F)F)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000872457810 654341975 /nfs/dbraw/zinc/34/19/75/654341975.db2.gz UMCQENIMXSTSOQ-GFCCVEGCSA-N 1 2 378.416 2.106 20 0 GEADLO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1nc(Br)cs1 ZINC000834673358 654342031 /nfs/dbraw/zinc/34/20/31/654342031.db2.gz QEACKBKJPBNLEW-VHSXEESVSA-N 1 2 384.303 2.485 20 0 GEADLO CCn1c(C[NH2+]CC(=O)NCC2CC2)nc(Br)c1Br ZINC000921973443 654350275 /nfs/dbraw/zinc/35/02/75/654350275.db2.gz INCYVHYASNTHIP-UHFFFAOYSA-N 1 2 394.111 2.044 20 0 GEADLO O=C(Cc1ccc(Cl)cc1Br)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000854352696 654354932 /nfs/dbraw/zinc/35/49/32/654354932.db2.gz IWQWPUCTCUBVAN-CQSZACIVSA-N 1 2 386.721 2.151 20 0 GEADLO O=C(Cc1ccc(Cl)cc1Br)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000854352696 654354936 /nfs/dbraw/zinc/35/49/36/654354936.db2.gz IWQWPUCTCUBVAN-CQSZACIVSA-N 1 2 386.721 2.151 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(c2ccnc(CSc3ccccc3)n2)CC1 ZINC000892654868 654356388 /nfs/dbraw/zinc/35/63/88/654356388.db2.gz MXPBUKBKUFAVCH-RUZDIDTESA-N 1 2 376.551 2.269 20 0 GEADLO Cc1nn2cc(S(=O)(=O)N3CC[N@@H+](C)C[C@@H]3CC(C)C)cnc2c1Cl ZINC000922026525 654356889 /nfs/dbraw/zinc/35/68/89/654356889.db2.gz PPUGHEAUSKYHIE-ZDUSSCGKSA-N 1 2 385.921 2.042 20 0 GEADLO Cc1nn2cc(S(=O)(=O)N3CC[N@H+](C)C[C@@H]3CC(C)C)cnc2c1Cl ZINC000922026525 654356892 /nfs/dbraw/zinc/35/68/92/654356892.db2.gz PPUGHEAUSKYHIE-ZDUSSCGKSA-N 1 2 385.921 2.042 20 0 GEADLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000922046848 654359766 /nfs/dbraw/zinc/35/97/66/654359766.db2.gz VYNHBCKPUZAVQG-MRVPVSSYSA-N 1 2 396.127 2.384 20 0 GEADLO Cc1cc(Br)nc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000835067918 654360567 /nfs/dbraw/zinc/36/05/67/654360567.db2.gz CBJQMOULCYXKBJ-UHFFFAOYSA-N 1 2 392.257 2.104 20 0 GEADLO CCn1c(Br)c(Br)nc1CNCc1c[nH+]cn1C ZINC000922136166 654370800 /nfs/dbraw/zinc/37/08/00/654370800.db2.gz YUPQFKCKVZGCNM-UHFFFAOYSA-N 1 2 377.084 2.451 20 0 GEADLO Cn1cc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)c(I)n1 ZINC000922713900 654409428 /nfs/dbraw/zinc/40/94/28/654409428.db2.gz PGIPKLFMDRVURP-UHFFFAOYSA-N 1 2 399.158 2.067 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(c2nc(Cl)ccc2S(N)(=O)=O)CC1 ZINC000893200177 654388606 /nfs/dbraw/zinc/38/86/06/654388606.db2.gz QKBHEYXQIJGJSO-LLVKDONJSA-N 1 2 386.930 2.327 20 0 GEADLO C[C@@H](OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ncccc1Br ZINC000905932425 654391946 /nfs/dbraw/zinc/39/19/46/654391946.db2.gz FSRMYRNSEXGZHH-NFAWXSAZSA-N 1 2 399.285 2.328 20 0 GEADLO C[C@]1(C(F)(F)F)CC[N@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000872803325 654397271 /nfs/dbraw/zinc/39/72/71/654397271.db2.gz APYYNTPSVXUMSD-AWEZNQCLSA-N 1 2 375.372 2.271 20 0 GEADLO C[C@]1(C(F)(F)F)CC[N@@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000872803325 654397274 /nfs/dbraw/zinc/39/72/74/654397274.db2.gz APYYNTPSVXUMSD-AWEZNQCLSA-N 1 2 375.372 2.271 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000872826804 654398969 /nfs/dbraw/zinc/39/89/69/654398969.db2.gz CKQOJWMWGYPTQD-JTQLQIEISA-N 1 2 380.798 2.274 20 0 GEADLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ncc(Br)cc1O)c1ccccc1 ZINC000893613998 654410535 /nfs/dbraw/zinc/41/05/35/654410535.db2.gz OJAVOEWIRQKMGY-CQSZACIVSA-N 1 2 385.283 2.425 20 0 GEADLO COc1ccc(C[NH+](C)C)cc1NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000906064646 654412151 /nfs/dbraw/zinc/41/21/51/654412151.db2.gz MUVKMAJDXUVYLF-HSZRJFAPSA-N 1 2 377.532 2.310 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cnc(Cl)c(Br)c2)[C@@H](C)CO1 ZINC000855408624 654417460 /nfs/dbraw/zinc/41/74/60/654417460.db2.gz WXJXBTNGUOLHJF-UWVGGRQHSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cnc(Cl)c(Br)c2)[C@@H](C)CO1 ZINC000855408624 654417462 /nfs/dbraw/zinc/41/74/62/654417462.db2.gz WXJXBTNGUOLHJF-UWVGGRQHSA-N 1 2 376.682 2.337 20 0 GEADLO NC(=O)COc1ccc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)cc1 ZINC000923002064 654424012 /nfs/dbraw/zinc/42/40/12/654424012.db2.gz ZUZYLVBZIPYEJS-UHFFFAOYSA-N 1 2 391.269 2.272 20 0 GEADLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cn(Cc2ncon2)nn1 ZINC000906294700 654425967 /nfs/dbraw/zinc/42/59/67/654425967.db2.gz ZSBTWKJTNDVLHC-JTQLQIEISA-N 1 2 393.245 2.331 20 0 GEADLO Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1cn(Cc2ncon2)nn1 ZINC000906298952 654426335 /nfs/dbraw/zinc/42/63/35/654426335.db2.gz FRJXONBMVVVUEC-ZDUSSCGKSA-N 1 2 391.229 2.085 20 0 GEADLO Cc1noc([C@H]2CCC[N@@H+](Cc3cn(C)nc3I)C2)n1 ZINC000893962601 654434068 /nfs/dbraw/zinc/43/40/68/654434068.db2.gz OPNDCGQAHZXKDD-JTQLQIEISA-N 1 2 387.225 2.096 20 0 GEADLO Cc1noc([C@H]2CCC[N@H+](Cc3cn(C)nc3I)C2)n1 ZINC000893962601 654434070 /nfs/dbraw/zinc/43/40/70/654434070.db2.gz OPNDCGQAHZXKDD-JTQLQIEISA-N 1 2 387.225 2.096 20 0 GEADLO Cc1cc[nH+]c(N2CCN(Cc3c(I)cnn3C)CC2)c1 ZINC000893994874 654437349 /nfs/dbraw/zinc/43/73/49/654437349.db2.gz LHMCTYUIRWAQLT-UHFFFAOYSA-N 1 2 397.264 2.050 20 0 GEADLO CO[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000906581986 654450738 /nfs/dbraw/zinc/45/07/38/654450738.db2.gz KJHZILVCUCHNFG-WDMOLILDSA-N 1 2 391.331 2.424 20 0 GEADLO CC(C)Oc1ccc(C[NH2+]Cc2cn(C)nc2I)cn1 ZINC000894184698 654453815 /nfs/dbraw/zinc/45/38/15/654453815.db2.gz DAUTWEUXOYCZIF-UHFFFAOYSA-N 1 2 386.237 2.497 20 0 GEADLO CN1CC[N@H+](C[C@@H]2C[C@@]2(C)Br)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000894284224 654462024 /nfs/dbraw/zinc/46/20/24/654462024.db2.gz JAIPBMQQLVFSDK-HEHGZKQESA-N 1 2 376.339 2.301 20 0 GEADLO CN1CC[N@@H+](C[C@@H]2C[C@@]2(C)Br)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000894284224 654462029 /nfs/dbraw/zinc/46/20/29/654462029.db2.gz JAIPBMQQLVFSDK-HEHGZKQESA-N 1 2 376.339 2.301 20 0 GEADLO CC(C)(C)OC(=O)N1CC([NH2+]Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894315893 654464552 /nfs/dbraw/zinc/46/45/52/654464552.db2.gz AMRJXZWCMHUEAX-UHFFFAOYSA-N 1 2 388.921 2.342 20 0 GEADLO CCc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000873809792 654467268 /nfs/dbraw/zinc/46/72/68/654467268.db2.gz SWSQCXWDVGRPRC-LBPRGKRZSA-N 1 2 391.269 2.278 20 0 GEADLO CN(CCO)c1ccc(NCc2sc(N3CCOCC3)nc2Cl)[nH+]c1 ZINC000894347170 654467737 /nfs/dbraw/zinc/46/77/37/654467737.db2.gz ZJQPQLCCOLYRBS-UHFFFAOYSA-N 1 2 383.905 2.069 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)NCc1cnc(Br)cn1 ZINC000923554397 654468451 /nfs/dbraw/zinc/46/84/51/654468451.db2.gz IRQOSTJUFKVRGB-LBPRGKRZSA-N 1 2 379.262 2.409 20 0 GEADLO Cn1cc(C[NH2+]CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Cl)n1 ZINC000856770385 654493837 /nfs/dbraw/zinc/49/38/37/654493837.db2.gz IJOQGWYYYIJGNH-UHFFFAOYSA-N 1 2 382.295 2.165 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000894773444 654498462 /nfs/dbraw/zinc/49/84/62/654498462.db2.gz HSDOMOHENPIGQT-NXEZZACHSA-N 1 2 396.289 2.240 20 0 GEADLO C[C@H]([NH2+]Cc1nc(Br)nn1C)c1ccc(N2CCCNC2=O)cc1 ZINC000894822509 654501113 /nfs/dbraw/zinc/50/11/13/654501113.db2.gz VDUSRXYSUHHQEA-NSHDSACASA-N 1 2 393.289 2.348 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(Br)nn1C)c1ccc(N2CCCNC2=O)cc1 ZINC000894822508 654501191 /nfs/dbraw/zinc/50/11/91/654501191.db2.gz VDUSRXYSUHHQEA-LLVKDONJSA-N 1 2 393.289 2.348 20 0 GEADLO Cn1nc(Br)nc1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000894915600 654504968 /nfs/dbraw/zinc/50/49/68/654504968.db2.gz DUFCFTAPRIOOCI-MDZLAQPJSA-N 1 2 383.294 2.061 20 0 GEADLO Cn1cc(CNC(=O)NCCCCNc2cccc[nH+]2)c(Br)n1 ZINC000924552154 654517237 /nfs/dbraw/zinc/51/72/37/654517237.db2.gz BFLGDGUNOMKGQL-UHFFFAOYSA-N 1 2 381.278 2.269 20 0 GEADLO C[C@@H]1CCN(C(=O)NCc2cn(C)nc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000924558985 654518375 /nfs/dbraw/zinc/51/83/75/654518375.db2.gz GCIXBFCPTLNDRT-YPMHNXCESA-N 1 2 381.278 2.172 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NC[C@@H]2CCCN2CC(F)(F)F)n1 ZINC000924787285 654524822 /nfs/dbraw/zinc/52/48/22/654524822.db2.gz DPQCBJCPTVKCFL-LBPRGKRZSA-N 1 2 379.452 2.031 20 0 GEADLO CC1(C)COCC[N@@H+]1CCN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000925294127 654539875 /nfs/dbraw/zinc/53/98/75/654539875.db2.gz FYXLBBRUAQLXAK-AWEZNQCLSA-N 1 2 396.285 2.153 20 0 GEADLO CC1(C)COCC[N@H+]1CCN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000925294127 654539880 /nfs/dbraw/zinc/53/98/80/654539880.db2.gz FYXLBBRUAQLXAK-AWEZNQCLSA-N 1 2 396.285 2.153 20 0 GEADLO CC1(C)C[N@H+](CCN2C(=O)N[C@@H](c3ccccc3Br)C2=O)CCO1 ZINC000925291893 654539978 /nfs/dbraw/zinc/53/99/78/654539978.db2.gz BUFSXXXVWVCJDC-AWEZNQCLSA-N 1 2 396.285 2.153 20 0 GEADLO CC1(C)C[N@@H+](CCN2C(=O)N[C@@H](c3ccccc3Br)C2=O)CCO1 ZINC000925291893 654539980 /nfs/dbraw/zinc/53/99/80/654539980.db2.gz BUFSXXXVWVCJDC-AWEZNQCLSA-N 1 2 396.285 2.153 20 0 GEADLO C[C@H](c1cccc(Br)c1)N1CC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925298706 654540360 /nfs/dbraw/zinc/54/03/60/654540360.db2.gz JHIZBWICOKWBOR-DOMZBBRYSA-N 1 2 396.285 2.105 20 0 GEADLO C[C@H](c1cccc(Br)c1)N1CC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925298706 654540363 /nfs/dbraw/zinc/54/03/63/654540363.db2.gz JHIZBWICOKWBOR-DOMZBBRYSA-N 1 2 396.285 2.105 20 0 GEADLO C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)c2ncnn21 ZINC000926377615 654569808 /nfs/dbraw/zinc/56/98/08/654569808.db2.gz JWTVXPNWTIWZFQ-BXKDBHETSA-N 1 2 397.220 2.117 20 0 GEADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1cn(C)cn1 ZINC000926377578 654569814 /nfs/dbraw/zinc/56/98/14/654569814.db2.gz JQWBZDPFNSZQAV-SNVBAGLBSA-N 1 2 384.221 2.314 20 0 GEADLO C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)c2ncnn21 ZINC000926412164 654570583 /nfs/dbraw/zinc/57/05/83/654570583.db2.gz XWJOQYLFHGIVFQ-ONGXEEELSA-N 1 2 390.296 2.159 20 0 GEADLO C/C(=C\C(=O)N1CCOc2c(Br)cccc2C1)C[NH+]1CCOCC1 ZINC000907872321 654585802 /nfs/dbraw/zinc/58/58/02/654585802.db2.gz JPJKJOQJYPVLMH-SDNWHVSQSA-N 1 2 395.297 2.449 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2(n3cc(Br)cn3)CC2)C1 ZINC000927108156 654592932 /nfs/dbraw/zinc/59/29/32/654592932.db2.gz OGURXUNXYOOLBG-GFCCVEGCSA-N 1 2 393.289 2.067 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCc2cn(C)nc2Br)cc1 ZINC000927621132 654606576 /nfs/dbraw/zinc/60/65/76/654606576.db2.gz QUISWPPGRCDTKC-HNNXBMFYSA-N 1 2 393.285 2.082 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCc2cn(C)nc2Br)cc1 ZINC000927621132 654606577 /nfs/dbraw/zinc/60/65/77/654606577.db2.gz QUISWPPGRCDTKC-HNNXBMFYSA-N 1 2 393.285 2.082 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)CC2CCN(CC(F)(F)F)CC2)n1 ZINC000927761482 654612575 /nfs/dbraw/zinc/61/25/75/654612575.db2.gz UBFKCLODNXHBML-UHFFFAOYSA-N 1 2 378.464 2.485 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2cc(I)c[nH]2)n1 ZINC000927769144 654613407 /nfs/dbraw/zinc/61/34/07/654613407.db2.gz XZUKSMAMCRDKTI-UHFFFAOYSA-N 1 2 390.250 2.067 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1nc2cc(Br)cnc2[nH]1 ZINC000908455662 654630839 /nfs/dbraw/zinc/63/08/39/654630839.db2.gz XVNAAJHAQFULHZ-UHFFFAOYSA-N 1 2 375.230 2.434 20 0 GEADLO CO[C@@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)s1 ZINC000909024884 654650325 /nfs/dbraw/zinc/65/03/25/654650325.db2.gz MXCWLQZCFKEZKZ-UHIISALHSA-N 1 2 389.315 2.178 20 0 GEADLO CO[C@@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)s1 ZINC000909024884 654650328 /nfs/dbraw/zinc/65/03/28/654650328.db2.gz MXCWLQZCFKEZKZ-UHIISALHSA-N 1 2 389.315 2.178 20 0 GEADLO C/C(=C\C(=O)N(C)C[C@H](O)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000909410731 654663796 /nfs/dbraw/zinc/66/37/96/654663796.db2.gz HFYOGAWFYUHCPF-WKOYGUFESA-N 1 2 397.313 2.219 20 0 GEADLO O=C(CNc1cccc[nH+]1)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000909414981 654664130 /nfs/dbraw/zinc/66/41/30/654664130.db2.gz QSBZEAARBJDSMM-UHFFFAOYSA-N 1 2 392.257 2.126 20 0 GEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1nc(Br)c2ccccn21 ZINC000909720344 654673318 /nfs/dbraw/zinc/67/33/18/654673318.db2.gz OBDQKENHWBFMBM-TXEJJXNPSA-N 1 2 380.242 2.117 20 0 GEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1nc(Br)c2ccccn21 ZINC000909720344 654673322 /nfs/dbraw/zinc/67/33/22/654673322.db2.gz OBDQKENHWBFMBM-TXEJJXNPSA-N 1 2 380.242 2.117 20 0 GEADLO C[C@H]1C[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCS1(=O)=O ZINC000929321813 654679265 /nfs/dbraw/zinc/67/92/65/654679265.db2.gz TVXQLKQXKYFGOA-QWHCGFSZSA-N 1 2 386.543 2.216 20 0 GEADLO O=C(c1nc(Br)c2ccccn21)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000929367317 654681303 /nfs/dbraw/zinc/68/13/03/654681303.db2.gz YTDIAOXJEIPODF-CYBMUJFWSA-N 1 2 393.285 2.034 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1(n2cc(Br)cn2)CC1 ZINC000929672124 654689891 /nfs/dbraw/zinc/68/98/91/654689891.db2.gz IMJPUNGGHMNALI-UHFFFAOYSA-N 1 2 390.285 2.446 20 0 GEADLO Cc1cc(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cnc1Br ZINC000929827155 654692922 /nfs/dbraw/zinc/69/29/22/654692922.db2.gz YVYLEMBZCRZLFQ-HNNXBMFYSA-N 1 2 395.345 2.281 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(Br)nc2N)CC1 ZINC000929901471 654694520 /nfs/dbraw/zinc/69/45/20/654694520.db2.gz ULNKGPGSSDBYTI-UHFFFAOYSA-N 1 2 380.290 2.349 20 0 GEADLO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(Br)nc2N)CC1 ZINC000930060669 654698388 /nfs/dbraw/zinc/69/83/88/654698388.db2.gz HANPJBPKDYKSED-CQSZACIVSA-N 1 2 380.290 2.105 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](C[C@@H]2CCCO2)C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000930110590 654699491 /nfs/dbraw/zinc/69/94/91/654699491.db2.gz NHAGHRIKGAGAKC-XQLPTFJDSA-N 1 2 385.448 2.155 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](C[C@@H]2CCCO2)C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000930110590 654699493 /nfs/dbraw/zinc/69/94/93/654699493.db2.gz NHAGHRIKGAGAKC-XQLPTFJDSA-N 1 2 385.448 2.155 20 0 GEADLO CC(C)n1cc(Br)c(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)n1 ZINC000910572611 654703251 /nfs/dbraw/zinc/70/32/51/654703251.db2.gz JNJZBZMHZFETFX-UHFFFAOYSA-N 1 2 387.322 2.409 20 0 GEADLO Cc1cn2c(nc(C[NH2+][C@H]3c4sccc4OC(C)(C)[C@@H]3O)cc2=O)s1 ZINC000930546718 654712921 /nfs/dbraw/zinc/71/29/21/654712921.db2.gz VNBSGJKANFKURY-DZGCQCFKSA-N 1 2 377.491 2.489 20 0 GEADLO Cn1[nH]c(=O)c2c1C[N@H+](Cc1nc3ccc(Br)cc3n1C)CC2 ZINC000931197451 654733249 /nfs/dbraw/zinc/73/32/49/654733249.db2.gz XQZNWPNKCKLFBK-UHFFFAOYSA-N 1 2 376.258 2.333 20 0 GEADLO Cn1[nH]c(=O)c2c1C[N@@H+](Cc1nc3ccc(Br)cc3n1C)CC2 ZINC000931197451 654733252 /nfs/dbraw/zinc/73/32/52/654733252.db2.gz XQZNWPNKCKLFBK-UHFFFAOYSA-N 1 2 376.258 2.333 20 0 GEADLO CC[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000931226798 654734616 /nfs/dbraw/zinc/73/46/16/654734616.db2.gz XQBWSDOPTXUWSU-HZPDHXFCSA-N 1 2 387.933 2.050 20 0 GEADLO CC[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000931226798 654734619 /nfs/dbraw/zinc/73/46/19/654734619.db2.gz XQBWSDOPTXUWSU-HZPDHXFCSA-N 1 2 387.933 2.050 20 0 GEADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931232574 654735468 /nfs/dbraw/zinc/73/54/68/654735468.db2.gz RHRTVHXQJGUDAH-CJNGLKHVSA-N 1 2 387.933 2.002 20 0 GEADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931232574 654735473 /nfs/dbraw/zinc/73/54/73/654735473.db2.gz RHRTVHXQJGUDAH-CJNGLKHVSA-N 1 2 387.933 2.002 20 0 GEADLO C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H]1CCCS1(=O)=O ZINC000931379860 654740241 /nfs/dbraw/zinc/74/02/41/654740241.db2.gz LHMWZVPKTDEODA-UKRRQHHQSA-N 1 2 382.309 2.242 20 0 GEADLO C[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H]1CCCS1(=O)=O ZINC000931379860 654740246 /nfs/dbraw/zinc/74/02/46/654740246.db2.gz LHMWZVPKTDEODA-UKRRQHHQSA-N 1 2 382.309 2.242 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)c(CO)c2)C1 ZINC000912167349 654744409 /nfs/dbraw/zinc/74/44/09/654744409.db2.gz LFXDFTJNRVTJOF-LBPRGKRZSA-N 1 2 399.285 2.155 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)c(CO)c2)C1 ZINC000912167349 654744411 /nfs/dbraw/zinc/74/44/11/654744411.db2.gz LFXDFTJNRVTJOF-LBPRGKRZSA-N 1 2 399.285 2.155 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000931505783 654744570 /nfs/dbraw/zinc/74/45/70/654744570.db2.gz RFTFCHBVLGPAOL-QKCSRTOESA-N 1 2 375.254 2.150 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000931505783 654744572 /nfs/dbraw/zinc/74/45/72/654744572.db2.gz RFTFCHBVLGPAOL-QKCSRTOESA-N 1 2 375.254 2.150 20 0 GEADLO COC1(OC)CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H]1O ZINC000931636398 654749960 /nfs/dbraw/zinc/74/99/60/654749960.db2.gz UCHINJHTMXQSII-CABCVRRESA-N 1 2 389.279 2.154 20 0 GEADLO COC1(OC)CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H]1O ZINC000931636398 654749965 /nfs/dbraw/zinc/74/99/65/654749965.db2.gz UCHINJHTMXQSII-CABCVRRESA-N 1 2 389.279 2.154 20 0 GEADLO C[C@H]1c2sccc2CCN1C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931668185 654752197 /nfs/dbraw/zinc/75/21/97/654752197.db2.gz NUZCTHVHAVLUOW-NSHDSACASA-N 1 2 378.523 2.028 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(Br)c2nccnc2c1 ZINC000931845527 654758736 /nfs/dbraw/zinc/75/87/36/654758736.db2.gz NFIHFKBERDLSBL-UHFFFAOYSA-N 1 2 393.285 2.233 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(Br)c2nccnc2c1 ZINC000931845527 654758737 /nfs/dbraw/zinc/75/87/37/654758737.db2.gz NFIHFKBERDLSBL-UHFFFAOYSA-N 1 2 393.285 2.233 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000912612464 654761013 /nfs/dbraw/zinc/76/10/13/654761013.db2.gz OCIGLKQHJXYARE-CQSZACIVSA-N 1 2 377.242 2.056 20 0 GEADLO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H]2c2cncc(Br)c2)C1=O ZINC000932255098 654772928 /nfs/dbraw/zinc/77/29/28/654772928.db2.gz HNATWUPEHVPDAL-ZDUSSCGKSA-N 1 2 381.274 2.311 20 0 GEADLO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@H]2c2cncc(Br)c2)C1=O ZINC000932255098 654772929 /nfs/dbraw/zinc/77/29/29/654772929.db2.gz HNATWUPEHVPDAL-ZDUSSCGKSA-N 1 2 381.274 2.311 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(Cl)c3occc32)CC1 ZINC000932454336 654777830 /nfs/dbraw/zinc/77/78/30/654777830.db2.gz RSMUWENQQAGYNO-UHFFFAOYSA-N 1 2 384.885 2.325 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(F)c(C(F)F)c2)CC1 ZINC000932456313 654778123 /nfs/dbraw/zinc/77/81/23/654778123.db2.gz RCPUKAQHAAYQGR-UHFFFAOYSA-N 1 2 378.416 2.002 20 0 GEADLO C[C@@H](C(=O)N1CC(Cc2cccc(Br)c2)C1)[NH+]1CCN(C)CC1 ZINC000913095652 654782727 /nfs/dbraw/zinc/78/27/27/654782727.db2.gz QWONPBYIMPFKKN-AWEZNQCLSA-N 1 2 380.330 2.086 20 0 GEADLO O[C@@]1(c2ccc(Br)cc2)CCC[N@H+](Cc2ncnn2CCF)C1 ZINC000932815692 654791833 /nfs/dbraw/zinc/79/18/33/654791833.db2.gz IETDHDPVUAKZPR-INIZCTEOSA-N 1 2 383.265 2.494 20 0 GEADLO O[C@@]1(c2ccc(Br)cc2)CCC[N@@H+](Cc2ncnn2CCF)C1 ZINC000932815692 654791835 /nfs/dbraw/zinc/79/18/35/654791835.db2.gz IETDHDPVUAKZPR-INIZCTEOSA-N 1 2 383.265 2.494 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N1CC(n2cc[nH+]c2)C1 ZINC000932827712 654792734 /nfs/dbraw/zinc/79/27/34/654792734.db2.gz WYJFTRGVNRMGTR-LBPRGKRZSA-N 1 2 375.226 2.155 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c1 ZINC000913453455 654792896 /nfs/dbraw/zinc/79/28/96/654792896.db2.gz NKEOEPLNKJHAHE-OAHLLOKOSA-N 1 2 378.274 2.025 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)[C@@H]3CCc4cc(Br)ccc43)CC[NH2+]2)cn1 ZINC000913457588 654793138 /nfs/dbraw/zinc/79/31/38/654793138.db2.gz UONNEZHFDQPEAB-IAGOWNOFSA-N 1 2 389.297 2.386 20 0 GEADLO O=C([C@H]1CCc2cc(Br)ccc21)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913458352 654793326 /nfs/dbraw/zinc/79/33/26/654793326.db2.gz MGBNRRAKJSOTER-HOTGVXAUSA-N 1 2 375.270 2.375 20 0 GEADLO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913458501 654793358 /nfs/dbraw/zinc/79/33/58/654793358.db2.gz OZPVMQUECGANHH-UKRRQHHQSA-N 1 2 391.269 2.211 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)CC[NH2+]2)cn1 ZINC000913459468 654793382 /nfs/dbraw/zinc/79/33/82/654793382.db2.gz CFDPZSYITPKLBZ-BBWFWOEESA-N 1 2 389.297 2.459 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)CC[NH2+]2)cn1 ZINC000913463502 654793915 /nfs/dbraw/zinc/79/39/15/654793915.db2.gz GHAYRCPLAGUTFL-JKSUJKDBSA-N 1 2 383.279 2.324 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)CCc3cc(Br)ccc3F)CC[NH2+]2)cn1 ZINC000913462987 654793971 /nfs/dbraw/zinc/79/39/71/654793971.db2.gz BMTNLNJGLHKBGJ-INIZCTEOSA-N 1 2 395.276 2.427 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)Cc3ccc(Br)c(F)c3)CC[NH2+]2)cn1 ZINC000913467097 654794302 /nfs/dbraw/zinc/79/43/02/654794302.db2.gz JNOSMQXQMNWIDS-HNNXBMFYSA-N 1 2 381.249 2.037 20 0 GEADLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1)c1ccc(Br)cc1 ZINC000913464078 654794355 /nfs/dbraw/zinc/79/43/55/654794355.db2.gz MFMQCIWKRFSWJM-WBMJQRKESA-N 1 2 377.286 2.459 20 0 GEADLO CCN(C(=O)C[N@@H+]1CCC[C@@]1(C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000932929906 654794440 /nfs/dbraw/zinc/79/44/40/654794440.db2.gz LRYKPVWLSJFNMW-QAPCUYQASA-N 1 2 384.567 2.181 20 0 GEADLO CCN(C(=O)C[N@H+]1CCC[C@@]1(C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000932929906 654794444 /nfs/dbraw/zinc/79/44/44/654794444.db2.gz LRYKPVWLSJFNMW-QAPCUYQASA-N 1 2 384.567 2.181 20 0 GEADLO CCN(C(=O)C[N@@H+]1CCC[C@]1(C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000932929904 654794453 /nfs/dbraw/zinc/79/44/53/654794453.db2.gz LRYKPVWLSJFNMW-CRAIPNDOSA-N 1 2 384.567 2.181 20 0 GEADLO CCN(C(=O)C[N@H+]1CCC[C@]1(C)Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000932929904 654794454 /nfs/dbraw/zinc/79/44/54/654794454.db2.gz LRYKPVWLSJFNMW-CRAIPNDOSA-N 1 2 384.567 2.181 20 0 GEADLO COc1ncc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)c(C)c1Br ZINC000932943261 654795242 /nfs/dbraw/zinc/79/52/42/654795242.db2.gz RRFAYTYOZLXARW-JTQLQIEISA-N 1 2 387.278 2.003 20 0 GEADLO CN(C)c1nc2sc(C(=O)N3CC[NH+](CCCCCO)CC3)cc2s1 ZINC000913690400 654804377 /nfs/dbraw/zinc/80/43/77/654804377.db2.gz FWTUQTFLLYFWOM-UHFFFAOYSA-N 1 2 382.555 2.344 20 0 GEADLO CCn1c[nH+]c2c1CCN([C@H](C(N)=O)c1ccc(Br)cc1F)C2 ZINC000933256890 654805708 /nfs/dbraw/zinc/80/57/08/654805708.db2.gz INDOOPNNKUBSMT-HNNXBMFYSA-N 1 2 381.249 2.389 20 0 GEADLO C[C@@H](NC(=O)c1nccc2c(Br)cccc21)[C@H]1CN(C)CC[N@@H+]1C ZINC000933387852 654811395 /nfs/dbraw/zinc/81/13/95/654811395.db2.gz PNOQWABNBDMNIY-MLGOLLRUSA-N 1 2 391.313 2.361 20 0 GEADLO C[C@@H](NC(=O)c1nccc2c(Br)cccc21)[C@H]1CN(C)CC[N@H+]1C ZINC000933387852 654811400 /nfs/dbraw/zinc/81/14/00/654811400.db2.gz PNOQWABNBDMNIY-MLGOLLRUSA-N 1 2 391.313 2.361 20 0 GEADLO O=C(NCc1cnc(Cl)s1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000913873516 654812940 /nfs/dbraw/zinc/81/29/40/654812940.db2.gz NDPIWIAILCJUSV-CQSZACIVSA-N 1 2 380.901 2.497 20 0 GEADLO O=C(NCc1cnc(Cl)s1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000913873516 654812943 /nfs/dbraw/zinc/81/29/43/654812943.db2.gz NDPIWIAILCJUSV-CQSZACIVSA-N 1 2 380.901 2.497 20 0 GEADLO O=C(Nc1ccc(Br)c(F)c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000933565739 654817107 /nfs/dbraw/zinc/81/71/07/654817107.db2.gz PTRUCPMCXBJOKD-DOMZBBRYSA-N 1 2 387.249 2.407 20 0 GEADLO O=C(c1ccc2c(Br)cnn2c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000933659251 654819168 /nfs/dbraw/zinc/81/91/68/654819168.db2.gz IWDCZDWJYKFHSV-CQSZACIVSA-N 1 2 393.285 2.034 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1cnc(Br)cn1 ZINC000913995227 654820809 /nfs/dbraw/zinc/82/08/09/654820809.db2.gz JLMOMQAMJTVNLJ-UHFFFAOYSA-N 1 2 391.273 2.234 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933901663 654829302 /nfs/dbraw/zinc/82/93/02/654829302.db2.gz DLXSLHVPXHKXIO-CYBMUJFWSA-N 1 2 389.315 2.306 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933901663 654829304 /nfs/dbraw/zinc/82/93/04/654829304.db2.gz DLXSLHVPXHKXIO-CYBMUJFWSA-N 1 2 389.315 2.306 20 0 GEADLO O=S(=O)(Cc1ccsc1Br)N[C@H]1CCc2[nH+]ccn2C1 ZINC000914305009 654843583 /nfs/dbraw/zinc/84/35/83/654843583.db2.gz OYISWBJHKMNQNL-JTQLQIEISA-N 1 2 376.301 2.142 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934365637 654846147 /nfs/dbraw/zinc/84/61/47/654846147.db2.gz MMRXHEPGABVTMI-LLVKDONJSA-N 1 2 386.294 2.213 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934365637 654846150 /nfs/dbraw/zinc/84/61/50/654846150.db2.gz MMRXHEPGABVTMI-LLVKDONJSA-N 1 2 386.294 2.213 20 0 GEADLO O=C(Nc1c(Br)cnn1C1CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000934368564 654846642 /nfs/dbraw/zinc/84/66/42/654846642.db2.gz FFVPIRRMYCCRAD-ZDUSSCGKSA-N 1 2 398.305 2.309 20 0 GEADLO O=S(=O)(Cc1ccc(F)cc1Br)N[C@H]1CCn2cc[nH+]c2C1 ZINC000914397812 654850908 /nfs/dbraw/zinc/85/09/08/654850908.db2.gz MJRTZBWGVFMPBY-LBPRGKRZSA-N 1 2 388.262 2.219 20 0 GEADLO O=S(=O)(Cc1ccsc1Br)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000914403790 654851844 /nfs/dbraw/zinc/85/18/44/654851844.db2.gz KRPFGARXJHZZGG-SNVBAGLBSA-N 1 2 390.328 2.389 20 0 GEADLO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934578550 654853653 /nfs/dbraw/zinc/85/36/53/654853653.db2.gz FLEFRNAPLMNAFT-DRZSPHRISA-N 1 2 382.657 2.247 20 0 GEADLO O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934578550 654853654 /nfs/dbraw/zinc/85/36/54/654853654.db2.gz FLEFRNAPLMNAFT-DRZSPHRISA-N 1 2 382.657 2.247 20 0 GEADLO CC(C)[C@H](C)NC(=O)C[NH2+][C@H](CO)c1ccccc1I ZINC000934829342 654862888 /nfs/dbraw/zinc/86/28/88/654862888.db2.gz MQCRZANZHLCDJD-SMDDNHRTSA-N 1 2 390.265 2.075 20 0 GEADLO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1I ZINC000934829356 654862902 /nfs/dbraw/zinc/86/29/02/654862902.db2.gz MTAQUOPEAWLKAL-MJVIPROJSA-N 1 2 390.265 2.217 20 0 GEADLO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1I ZINC000934829678 654862906 /nfs/dbraw/zinc/86/29/06/654862906.db2.gz OUTYDUBMEMZFGK-RISCZKNCSA-N 1 2 390.265 2.171 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1c(F)ccc(Br)c1C ZINC000935107747 654876178 /nfs/dbraw/zinc/87/61/78/654876178.db2.gz PSAAAWDYNSTFEB-LBPRGKRZSA-N 1 2 384.205 2.134 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1c(F)ccc(Br)c1C ZINC000935107747 654876179 /nfs/dbraw/zinc/87/61/79/654876179.db2.gz PSAAAWDYNSTFEB-LBPRGKRZSA-N 1 2 384.205 2.134 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc3c(Br)cnn3c2)C[C@H](C)O1 ZINC000935711684 654912007 /nfs/dbraw/zinc/91/20/07/654912007.db2.gz IDKZTLQNRJIQOH-BETUJISGSA-N 1 2 395.301 2.278 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc3c(Br)cnn3c2)C[C@H](C)O1 ZINC000935711684 654912009 /nfs/dbraw/zinc/91/20/09/654912009.db2.gz IDKZTLQNRJIQOH-BETUJISGSA-N 1 2 395.301 2.278 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4cc(C)ccc4n3)CC2)C1=O ZINC001164642871 719267838 /nfs/dbraw/zinc/26/78/38/719267838.db2.gz ZGMHAYMNMDSKCH-UHFFFAOYSA-N 1 2 382.508 2.303 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4cc(C)ccc4n3)CC2)C1=O ZINC001164642871 719267839 /nfs/dbraw/zinc/26/78/39/719267839.db2.gz ZGMHAYMNMDSKCH-UHFFFAOYSA-N 1 2 382.508 2.303 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)cc1Cl ZINC001164704527 719841225 /nfs/dbraw/zinc/84/12/25/719841225.db2.gz RSEKHIHMYXLNSE-BDJLRTHQSA-N 1 2 389.283 2.016 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cccc(OC)c2n1 ZINC001164705793 719846268 /nfs/dbraw/zinc/84/62/68/719846268.db2.gz VRVTUADFWASZCO-JTSKRJEESA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cc(OC)ccc2n1 ZINC001164706770 719848882 /nfs/dbraw/zinc/84/88/82/719848882.db2.gz YKIYIYMYKGLZIH-VGOFRKELSA-N 1 2 399.491 2.476 20 0 GEADLO CCOc1ccc(Cl)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164698772 719858123 /nfs/dbraw/zinc/85/81/23/719858123.db2.gz DPAAZBWQPRURLZ-KUHUBIRLSA-N 1 2 397.903 2.366 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2scc(C)c2n1 ZINC001164706248 719864986 /nfs/dbraw/zinc/86/49/86/719864986.db2.gz PHROCSLMPBZXMP-LIRRHRJNSA-N 1 2 390.509 2.232 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2ncc(F)cc2n1 ZINC001164708052 719865193 /nfs/dbraw/zinc/86/51/93/719865193.db2.gz XKCDCGTWEUWQTB-YWZLYKJASA-N 1 2 388.443 2.002 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(C(C)C)n1 ZINC001164704410 719867920 /nfs/dbraw/zinc/86/79/20/719867920.db2.gz LVQWOODTAOUXKU-JXFKEZNVSA-N 1 2 376.501 2.141 20 0 GEADLO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164876809 721327104 /nfs/dbraw/zinc/32/71/04/721327104.db2.gz QNROAWOUSKDORL-UHFFFAOYSA-N 1 2 385.806 2.137 20 0 GEADLO CCOC(=O)/C=C\c1cccnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009904 721695527 /nfs/dbraw/zinc/69/55/27/721695527.db2.gz RKDRIESXQXJYNL-KTKRTIGZSA-N 1 2 398.511 2.500 20 0 GEADLO CCOC(=O)/C=C\c1cccnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009904 721695528 /nfs/dbraw/zinc/69/55/28/721695528.db2.gz RKDRIESXQXJYNL-KTKRTIGZSA-N 1 2 398.511 2.500 20 0 GEADLO COc1ccc2ncnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165009819 721699207 /nfs/dbraw/zinc/69/92/07/721699207.db2.gz DZIJEPHLIHXGNY-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO COc1ccc2ncnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165009819 721699211 /nfs/dbraw/zinc/69/92/11/721699211.db2.gz DZIJEPHLIHXGNY-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO COC(=O)c1cnc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c(Cl)c1 ZINC001164918567 721812162 /nfs/dbraw/zinc/81/21/62/721812162.db2.gz RNUAXXZUSKUNCH-UHFFFAOYSA-N 1 2 389.887 2.468 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(N3CCCCC3)nn2)CC1 ZINC001164919486 721812185 /nfs/dbraw/zinc/81/21/85/721812185.db2.gz YDMVKSYCFXISPA-UHFFFAOYSA-N 1 2 381.528 2.413 20 0 GEADLO CN1C(=O)CC[C@H]2[C@@H]1CCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164934671 721891484 /nfs/dbraw/zinc/89/14/84/721891484.db2.gz RZFPDTOOLJFSDG-PMACEKPBSA-N 1 2 377.492 2.234 20 0 GEADLO CN1C(=O)CC[C@H]2[C@@H]1CCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164934671 721891485 /nfs/dbraw/zinc/89/14/85/721891485.db2.gz RZFPDTOOLJFSDG-PMACEKPBSA-N 1 2 377.492 2.234 20 0 GEADLO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001165035598 721903654 /nfs/dbraw/zinc/90/36/54/721903654.db2.gz CNTJRGMOLCIHLV-GFCCVEGCSA-N 1 2 375.851 2.042 20 0 GEADLO CN(C)c1cc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)nc(Cl)n1 ZINC001165044982 721924450 /nfs/dbraw/zinc/92/44/50/721924450.db2.gz XTYNQEWBICQRRO-GFCCVEGCSA-N 1 2 375.851 2.042 20 0 GEADLO Cc1nc2c(c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)n1)CCC2 ZINC001164947043 721977238 /nfs/dbraw/zinc/97/72/38/721977238.db2.gz NIHDTULYPAVEFR-UHFFFAOYSA-N 1 2 391.519 2.245 20 0 GEADLO Cc1nc2c(c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)n1)CCC2 ZINC001164947043 721977239 /nfs/dbraw/zinc/97/72/39/721977239.db2.gz NIHDTULYPAVEFR-UHFFFAOYSA-N 1 2 391.519 2.245 20 0 GEADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N(C)C)[nH+]cn4)CC[C@H]32)cs1 ZINC001164988437 722174344 /nfs/dbraw/zinc/17/43/44/722174344.db2.gz RAFGMIIRNKVYTH-SJORKVTESA-N 1 2 388.541 2.177 20 0 GEADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N(C)C)nc[nH+]4)CC[C@H]32)cs1 ZINC001164988437 722174346 /nfs/dbraw/zinc/17/43/46/722174346.db2.gz RAFGMIIRNKVYTH-SJORKVTESA-N 1 2 388.541 2.177 20 0 GEADLO Cc1cc(NC(=O)CNc2nc(N(C)C)nc(C)[nH+]2)ccc1Br ZINC000488410033 531486186 /nfs/dbraw/zinc/48/61/86/531486186.db2.gz TWVNAKSQSLFZAQ-UHFFFAOYSA-N 1 2 379.262 2.368 20 0 GEADLO Cc1cc(NC(=O)CNc2nc(C)[nH+]c(N(C)C)n2)ccc1Br ZINC000488410033 531486191 /nfs/dbraw/zinc/48/61/91/531486191.db2.gz TWVNAKSQSLFZAQ-UHFFFAOYSA-N 1 2 379.262 2.368 20 0 GEADLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000152367074 531547968 /nfs/dbraw/zinc/54/79/68/531547968.db2.gz IJGXKDIYMNWOBF-AAEUAGOBSA-N 1 2 376.881 2.165 20 0 GEADLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000152367074 531547974 /nfs/dbraw/zinc/54/79/74/531547974.db2.gz IJGXKDIYMNWOBF-AAEUAGOBSA-N 1 2 376.881 2.165 20 0 GEADLO O=S(=O)(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)nc1 ZINC000017333512 531572073 /nfs/dbraw/zinc/57/20/73/531572073.db2.gz LJWVRJOWSDDDLF-UHFFFAOYSA-N 1 2 381.885 2.046 20 0 GEADLO O=C(CSCC(F)(F)F)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000152817009 531574147 /nfs/dbraw/zinc/57/41/47/531574147.db2.gz SIBGEGGXOMPSDT-OAHLLOKOSA-N 1 2 376.444 2.342 20 0 GEADLO OCCN(CC[NH+]1CCOCC1)Cc1ccc(Br)cc1Cl ZINC000152987803 531581280 /nfs/dbraw/zinc/58/12/80/531581280.db2.gz SMGMVPNZMIULCP-UHFFFAOYSA-N 1 2 377.710 2.229 20 0 GEADLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2ccccc2Br)CC1 ZINC000023631461 531598449 /nfs/dbraw/zinc/59/84/49/531598449.db2.gz ZBWFIUAYLNKUJH-UHFFFAOYSA-N 1 2 387.285 2.448 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000153534892 531603646 /nfs/dbraw/zinc/60/36/46/531603646.db2.gz WHSYHJIRROCKEG-UHFFFAOYSA-N 1 2 384.318 2.391 20 0 GEADLO CCOc1cccc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)c1OC(F)F ZINC000154061755 531619990 /nfs/dbraw/zinc/61/99/90/531619990.db2.gz IYZZOESITJRAEB-ZDUSSCGKSA-N 1 2 378.441 2.200 20 0 GEADLO CCOc1cccc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)c1OC(F)F ZINC000154061755 531619993 /nfs/dbraw/zinc/61/99/93/531619993.db2.gz IYZZOESITJRAEB-ZDUSSCGKSA-N 1 2 378.441 2.200 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000026957692 531621859 /nfs/dbraw/zinc/62/18/59/531621859.db2.gz FPECXDYJHHTRJI-AWEZNQCLSA-N 1 2 380.432 2.341 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000026957692 531621868 /nfs/dbraw/zinc/62/18/68/531621868.db2.gz FPECXDYJHHTRJI-AWEZNQCLSA-N 1 2 380.432 2.341 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC000026958141 531621930 /nfs/dbraw/zinc/62/19/30/531621930.db2.gz HPBYUUYSKWOMHL-LLVKDONJSA-N 1 2 397.360 2.146 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC000026958141 531621935 /nfs/dbraw/zinc/62/19/35/531621935.db2.gz HPBYUUYSKWOMHL-LLVKDONJSA-N 1 2 397.360 2.146 20 0 GEADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000027353327 531623540 /nfs/dbraw/zinc/62/35/40/531623540.db2.gz BUEFDPQESJSZQQ-LLVKDONJSA-N 1 2 395.305 2.354 20 0 GEADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000027353327 531623548 /nfs/dbraw/zinc/62/35/48/531623548.db2.gz BUEFDPQESJSZQQ-LLVKDONJSA-N 1 2 395.305 2.354 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000027566667 531625673 /nfs/dbraw/zinc/62/56/73/531625673.db2.gz SVOMMQRHVPRHCQ-SWLSCSKDSA-N 1 2 382.302 2.179 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000027566667 531625676 /nfs/dbraw/zinc/62/56/76/531625676.db2.gz SVOMMQRHVPRHCQ-SWLSCSKDSA-N 1 2 382.302 2.179 20 0 GEADLO Cc1[nH+]c2ccccc2n1CCNC(=O)Cn1cc(Br)ccc1=O ZINC000030034378 531633088 /nfs/dbraw/zinc/63/30/88/531633088.db2.gz DQUBBQIBGYQGBM-UHFFFAOYSA-N 1 2 389.253 2.085 20 0 GEADLO CC(C)N(C)C(=O)C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000030273349 531633678 /nfs/dbraw/zinc/63/36/78/531633678.db2.gz YFVOUWXGDBEZII-UHFFFAOYSA-N 1 2 397.317 2.361 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccccc2Br)CC1 ZINC000154947673 531643450 /nfs/dbraw/zinc/64/34/50/531643450.db2.gz XAEPSAYBYZLOQN-AWEZNQCLSA-N 1 2 394.313 2.218 20 0 GEADLO CS(=O)(=O)c1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000031961077 531647158 /nfs/dbraw/zinc/64/71/58/531647158.db2.gz MSTUTILXHIKCGU-UHFFFAOYSA-N 1 2 382.551 2.182 20 0 GEADLO CC(C)NC(=O)C[N@H+](C)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000042503041 531669723 /nfs/dbraw/zinc/66/97/23/531669723.db2.gz LEUJXFAUTZUXND-CYBMUJFWSA-N 1 2 384.318 2.252 20 0 GEADLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000042503041 531669729 /nfs/dbraw/zinc/66/97/29/531669729.db2.gz LEUJXFAUTZUXND-CYBMUJFWSA-N 1 2 384.318 2.252 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000154976133 531648252 /nfs/dbraw/zinc/64/82/52/531648252.db2.gz XUWJVBMEZVJOLF-UKRRQHHQSA-N 1 2 384.274 2.395 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000154976133 531648260 /nfs/dbraw/zinc/64/82/60/531648260.db2.gz XUWJVBMEZVJOLF-UKRRQHHQSA-N 1 2 384.274 2.395 20 0 GEADLO Cc1ccc(NC(=O)CSc2[nH+]cc3ccccn32)cc1S(N)(=O)=O ZINC000032575071 531654394 /nfs/dbraw/zinc/65/43/94/531654394.db2.gz PAXOTZKXFWAPOX-UHFFFAOYSA-N 1 2 376.463 2.021 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000155140601 531660044 /nfs/dbraw/zinc/66/00/44/531660044.db2.gz MLHNPPDSOKTGRH-UHFFFAOYSA-N 1 2 399.314 2.328 20 0 GEADLO CC(C)[C@@H](Sc1[nH+]cc2ccccn21)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000042992171 531676645 /nfs/dbraw/zinc/67/66/45/531676645.db2.gz NCXWCCQYMTXAOY-RHSMWYFYSA-N 1 2 381.523 2.144 20 0 GEADLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000045470467 531694020 /nfs/dbraw/zinc/69/40/20/531694020.db2.gz FVVCTSFUIPXTBG-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000045470467 531694030 /nfs/dbraw/zinc/69/40/30/531694030.db2.gz FVVCTSFUIPXTBG-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCN(CC(F)(F)F)CC1 ZINC000045491512 531694140 /nfs/dbraw/zinc/69/41/40/531694140.db2.gz ZGWBZHYRQCIHFJ-UHFFFAOYSA-N 1 2 375.782 2.377 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[N@@H+](C)C(C)C)c(F)c1Cl ZINC000155575525 531689860 /nfs/dbraw/zinc/68/98/60/531689860.db2.gz HLVJAFSRQMDHCR-UHFFFAOYSA-N 1 2 383.848 2.195 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[N@H+](C)C(C)C)c(F)c1Cl ZINC000155575525 531689868 /nfs/dbraw/zinc/68/98/68/531689868.db2.gz HLVJAFSRQMDHCR-UHFFFAOYSA-N 1 2 383.848 2.195 20 0 GEADLO Cc1cccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c1Br ZINC000156280784 531726535 /nfs/dbraw/zinc/72/65/35/531726535.db2.gz NJCLIXJQYYHPSG-LBPRGKRZSA-N 1 2 391.331 2.004 20 0 GEADLO Cc1nc(CCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)cs1 ZINC000047741389 531719643 /nfs/dbraw/zinc/71/96/43/531719643.db2.gz GWPDWVVHWSJBRX-HNNXBMFYSA-N 1 2 380.539 2.428 20 0 GEADLO CC(=O)Nc1nc(C[NH+]2CCC(NC(=O)c3scnc3C)CC2)cs1 ZINC000051100344 531740546 /nfs/dbraw/zinc/74/05/46/531740546.db2.gz CFFIOYYAOGOQKE-UHFFFAOYSA-N 1 2 379.511 2.261 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)C(=O)N(C)C ZINC000051122317 531741047 /nfs/dbraw/zinc/74/10/47/531741047.db2.gz VJGOICKHMWRFNS-SJKOYZFVSA-N 1 2 377.535 2.350 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)C(=O)N(C)C ZINC000051122317 531741050 /nfs/dbraw/zinc/74/10/50/531741050.db2.gz VJGOICKHMWRFNS-SJKOYZFVSA-N 1 2 377.535 2.350 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000157606610 531749271 /nfs/dbraw/zinc/74/92/71/531749271.db2.gz CEQRAZQSIWNUKH-LBPRGKRZSA-N 1 2 395.301 2.266 20 0 GEADLO CCN(CC)C(=O)CN1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000053430920 531764158 /nfs/dbraw/zinc/76/41/58/531764158.db2.gz BDYSDAKRTGLXGP-UHFFFAOYSA-N 1 2 398.345 2.314 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(CCOc2cccc(Br)c2)CC1 ZINC000053430920 531764164 /nfs/dbraw/zinc/76/41/64/531764164.db2.gz BDYSDAKRTGLXGP-UHFFFAOYSA-N 1 2 398.345 2.314 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1C(=O)NC1CC1)NCCc1cccc(Cl)c1Cl ZINC000054987855 531781869 /nfs/dbraw/zinc/78/18/69/531781869.db2.gz IQBJAFBOYGUNOS-HNNXBMFYSA-N 1 2 384.307 2.395 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1C(=O)NC1CC1)NCCc1cccc(Cl)c1Cl ZINC000054987855 531781879 /nfs/dbraw/zinc/78/18/79/531781879.db2.gz IQBJAFBOYGUNOS-HNNXBMFYSA-N 1 2 384.307 2.395 20 0 GEADLO CCNc1nnc(SCC(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000053621692 531767542 /nfs/dbraw/zinc/76/75/42/531767542.db2.gz OBXDMWMFFXXTME-UHFFFAOYSA-N 1 2 383.568 2.468 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CC[C@@]2(CCOC2)C1 ZINC000158341333 531776177 /nfs/dbraw/zinc/77/61/77/531776177.db2.gz RSMUSHMGAHBVSW-MRXNPFEDSA-N 1 2 379.258 2.419 20 0 GEADLO CS(=O)(=O)c1ccc(-c2nc(CSCC[NH+]3CCOCC3)co2)cc1 ZINC000160004710 531802175 /nfs/dbraw/zinc/80/21/75/531802175.db2.gz ZSXDOCSIYNFXBZ-UHFFFAOYSA-N 1 2 382.507 2.311 20 0 GEADLO CCc1ccc(S(=O)(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)s1 ZINC000056064670 531803068 /nfs/dbraw/zinc/80/30/68/531803068.db2.gz YAZIZAGATRTLLO-CYBMUJFWSA-N 1 2 381.523 2.409 20 0 GEADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000056402946 531813796 /nfs/dbraw/zinc/81/37/96/531813796.db2.gz NVGPLOZTODXPOO-JTQLQIEISA-N 1 2 398.897 2.032 20 0 GEADLO C[NH+]1CCN(C(=O)CSc2nnc(NCc3ccc(F)cc3)s2)CC1 ZINC000057548874 531821147 /nfs/dbraw/zinc/82/11/47/531821147.db2.gz YKDZYXOAIACKAG-UHFFFAOYSA-N 1 2 381.502 2.155 20 0 GEADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000058923574 531838860 /nfs/dbraw/zinc/83/88/60/531838860.db2.gz CPQGKSAUIFLEKC-NSHDSACASA-N 1 2 391.896 2.162 20 0 GEADLO C[C@H](Cc1ccsc1)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000060452012 531842426 /nfs/dbraw/zinc/84/24/26/531842426.db2.gz SHRXGBQNWYRTHW-CQSZACIVSA-N 1 2 380.539 2.122 20 0 GEADLO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1Cl ZINC000162720292 531848283 /nfs/dbraw/zinc/84/82/83/531848283.db2.gz MWBKTVRDXAYCKM-GFCCVEGCSA-N 1 2 394.368 2.464 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+](CCn2cccn2)CC1 ZINC000064030765 531862696 /nfs/dbraw/zinc/86/26/96/531862696.db2.gz WCOXSUYMNCDHBM-UHFFFAOYSA-N 1 2 389.308 2.196 20 0 GEADLO CCn1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000167927120 531881351 /nfs/dbraw/zinc/88/13/51/531881351.db2.gz FUNMECSRDDEPKO-HZPDHXFCSA-N 1 2 386.880 2.419 20 0 GEADLO CCn1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000167927120 531881360 /nfs/dbraw/zinc/88/13/60/531881360.db2.gz FUNMECSRDDEPKO-HZPDHXFCSA-N 1 2 386.880 2.419 20 0 GEADLO CCN(CC)S(=O)(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000067985364 531892202 /nfs/dbraw/zinc/89/22/02/531892202.db2.gz IOTUZCZSXGGUNB-UHFFFAOYSA-N 1 2 388.965 2.028 20 0 GEADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000170910868 531893972 /nfs/dbraw/zinc/89/39/72/531893972.db2.gz UWOZPALXCVCLML-IUODEOHRSA-N 1 2 382.302 2.227 20 0 GEADLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000170910868 531893979 /nfs/dbraw/zinc/89/39/79/531893979.db2.gz UWOZPALXCVCLML-IUODEOHRSA-N 1 2 382.302 2.227 20 0 GEADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000170910867 531894429 /nfs/dbraw/zinc/89/44/29/531894429.db2.gz UWOZPALXCVCLML-SWLSCSKDSA-N 1 2 382.302 2.227 20 0 GEADLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000170910867 531894431 /nfs/dbraw/zinc/89/44/31/531894431.db2.gz UWOZPALXCVCLML-SWLSCSKDSA-N 1 2 382.302 2.227 20 0 GEADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000170909348 531894908 /nfs/dbraw/zinc/89/49/08/531894908.db2.gz VQCBQHAXDNCDPK-CYBMUJFWSA-N 1 2 388.331 2.070 20 0 GEADLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000170909348 531894913 /nfs/dbraw/zinc/89/49/13/531894913.db2.gz VQCBQHAXDNCDPK-CYBMUJFWSA-N 1 2 388.331 2.070 20 0 GEADLO C[C@H](NC(=O)NCc1sccc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000171669203 531910160 /nfs/dbraw/zinc/91/01/60/531910160.db2.gz FDFIPMNPOWCTBK-QWRGUYRKSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@H](Cc1cccc(Br)c1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000171662586 531910456 /nfs/dbraw/zinc/91/04/56/531910456.db2.gz JTZZHKKWUFOOTH-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069868667 531913071 /nfs/dbraw/zinc/91/30/71/531913071.db2.gz JMKVHNLDVTUTTA-CYBMUJFWSA-N 1 2 376.881 2.212 20 0 GEADLO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069868236 531913431 /nfs/dbraw/zinc/91/34/31/531913431.db2.gz JLBFMHLIDLXEDG-LBPRGKRZSA-N 1 2 394.324 2.121 20 0 GEADLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C(=O)NCc1ccccc1 ZINC000171758745 531914870 /nfs/dbraw/zinc/91/48/70/531914870.db2.gz CGAZEWPJHXXGHO-LRDDRELGSA-N 1 2 390.281 2.270 20 0 GEADLO Cc1[nH+]c(-c2ccncc2)nc(NCc2ccc(S(N)(=O)=O)s2)c1C ZINC000172068305 531932954 /nfs/dbraw/zinc/93/29/54/531932954.db2.gz LRQOTYKOLXSKKZ-UHFFFAOYSA-N 1 2 375.479 2.476 20 0 GEADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(Br)cn2)C1 ZINC000171972755 531927772 /nfs/dbraw/zinc/92/77/72/531927772.db2.gz JSKPYLRILQCDAZ-ZDUSSCGKSA-N 1 2 398.301 2.078 20 0 GEADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(Br)cn2)C1 ZINC000171972755 531927777 /nfs/dbraw/zinc/92/77/77/531927777.db2.gz JSKPYLRILQCDAZ-ZDUSSCGKSA-N 1 2 398.301 2.078 20 0 GEADLO CC(C)(CNC(=O)NCCc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000172278213 531944725 /nfs/dbraw/zinc/94/47/25/531944725.db2.gz CIEUDPHVPSHAAG-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO O=S(=O)(Cc1ccccc1Cl)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000116700939 531959956 /nfs/dbraw/zinc/95/99/56/531959956.db2.gz SCASLLWIFUXIRI-UHFFFAOYSA-N 1 2 381.885 2.191 20 0 GEADLO O=C(C[NH+]1CCN(Cc2ccc(Cl)cc2Br)CC1)NC1CC1 ZINC000113928787 531953385 /nfs/dbraw/zinc/95/33/85/531953385.db2.gz FXCMPRUNVCANHW-UHFFFAOYSA-N 1 2 386.721 2.499 20 0 GEADLO CC[C@H](O)C[NH+]1CCN(C(=O)c2sc(C)c(Br)c2OC)CC1 ZINC000173106057 531988093 /nfs/dbraw/zinc/98/80/93/531988093.db2.gz CVAUOEUPCDPNAZ-NSHDSACASA-N 1 2 391.331 2.356 20 0 GEADLO Cc1nc(NCC2(c3ccc(Br)cc3)CCOCC2)nc(N)[nH+]1 ZINC000631094619 531999600 /nfs/dbraw/zinc/99/96/00/531999600.db2.gz PVDMFKKAZHZTMF-UHFFFAOYSA-N 1 2 378.274 2.107 20 0 GEADLO Cc1nc(N)nc(NCC2(c3ccc(Br)cc3)CCOCC2)[nH+]1 ZINC000631094619 531999607 /nfs/dbraw/zinc/99/96/07/531999607.db2.gz PVDMFKKAZHZTMF-UHFFFAOYSA-N 1 2 378.274 2.107 20 0 GEADLO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000121050967 532009507 /nfs/dbraw/zinc/00/95/07/532009507.db2.gz GKDDQIDZHQMXCS-KGLIPLIRSA-N 1 2 380.794 2.095 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000121089805 532011562 /nfs/dbraw/zinc/01/15/62/532011562.db2.gz IGUWXGRYYPMXGA-SNVBAGLBSA-N 1 2 387.303 2.147 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000173471627 532013222 /nfs/dbraw/zinc/01/32/22/532013222.db2.gz PJECULAQKFQNTP-LLVKDONJSA-N 1 2 389.315 2.421 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000173471627 532013232 /nfs/dbraw/zinc/01/32/32/532013232.db2.gz PJECULAQKFQNTP-LLVKDONJSA-N 1 2 389.315 2.421 20 0 GEADLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1cccc(Br)c1 ZINC000173634820 532024952 /nfs/dbraw/zinc/02/49/52/532024952.db2.gz HDHKELGFBQKTND-NSHDSACASA-N 1 2 378.274 2.494 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(F)c(Br)cc1F ZINC000121382477 532027275 /nfs/dbraw/zinc/02/72/75/532027275.db2.gz IDBUNRLRCIVVHM-JTQLQIEISA-N 1 2 391.260 2.485 20 0 GEADLO Cc1nsc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)n1 ZINC000173763163 532031245 /nfs/dbraw/zinc/03/12/45/532031245.db2.gz PSXGHYZEZGAJAK-LLVKDONJSA-N 1 2 380.543 2.459 20 0 GEADLO Cc1nsc(N2CCC[N@H+]([C@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)n1 ZINC000173763163 532031247 /nfs/dbraw/zinc/03/12/47/532031247.db2.gz PSXGHYZEZGAJAK-LLVKDONJSA-N 1 2 380.543 2.459 20 0 GEADLO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000121502014 532031654 /nfs/dbraw/zinc/03/16/54/532031654.db2.gz MWTLIXNEUNBMRL-GOEBONIOSA-N 1 2 394.313 2.310 20 0 GEADLO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000121502014 532031662 /nfs/dbraw/zinc/03/16/62/532031662.db2.gz MWTLIXNEUNBMRL-GOEBONIOSA-N 1 2 394.313 2.310 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)Cc2csc(Br)c2)CC1 ZINC000174129474 532051900 /nfs/dbraw/zinc/05/19/00/532051900.db2.gz UANBFOQLQOSUDN-NSHDSACASA-N 1 2 388.331 2.022 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2csc(Br)c2)CC1 ZINC000174129474 532051909 /nfs/dbraw/zinc/05/19/09/532051909.db2.gz UANBFOQLQOSUDN-NSHDSACASA-N 1 2 388.331 2.022 20 0 GEADLO O=C(c1[nH]nc2ccc(Br)cc21)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174176452 532053347 /nfs/dbraw/zinc/05/33/47/532053347.db2.gz JUBXGKITLWTEHP-GFCCVEGCSA-N 1 2 393.285 2.120 20 0 GEADLO CS(=O)(=O)Cc1noc(CSCc2[nH+]ccn2Cc2ccccc2)n1 ZINC000174252872 532058732 /nfs/dbraw/zinc/05/87/32/532058732.db2.gz HAHZHWHYNOWAJV-UHFFFAOYSA-N 1 2 378.479 2.292 20 0 GEADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ccccc2Br)CC1 ZINC000122268054 532064358 /nfs/dbraw/zinc/06/43/58/532064358.db2.gz QDCDLDDHZISKCV-UHFFFAOYSA-N 1 2 383.290 2.077 20 0 GEADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Nc2ccccc2Br)CC1 ZINC000122268054 532064359 /nfs/dbraw/zinc/06/43/59/532064359.db2.gz QDCDLDDHZISKCV-UHFFFAOYSA-N 1 2 383.290 2.077 20 0 GEADLO O=C(NCc1ccccc1Br)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174427741 532064379 /nfs/dbraw/zinc/06/43/79/532064379.db2.gz UEDKEOXAWIGLNP-HNNXBMFYSA-N 1 2 382.302 2.455 20 0 GEADLO CC[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CC[N@@H+]1C[C@@H](C)O ZINC000174617436 532072909 /nfs/dbraw/zinc/07/29/09/532072909.db2.gz ISKZGYNGGXJTPY-DGCLKSJQSA-N 1 2 395.301 2.243 20 0 GEADLO CC[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CC[N@H+]1C[C@@H](C)O ZINC000174617436 532072916 /nfs/dbraw/zinc/07/29/16/532072916.db2.gz ISKZGYNGGXJTPY-DGCLKSJQSA-N 1 2 395.301 2.243 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000174730059 532076242 /nfs/dbraw/zinc/07/62/42/532076242.db2.gz IBURSOMXQZIZNW-ZDUSSCGKSA-N 1 2 387.299 2.368 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000174730059 532076246 /nfs/dbraw/zinc/07/62/46/532076246.db2.gz IBURSOMXQZIZNW-ZDUSSCGKSA-N 1 2 387.299 2.368 20 0 GEADLO O=C(C[N@@H+]1CCC2(CCC2)C1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000122956521 532088035 /nfs/dbraw/zinc/08/80/35/532088035.db2.gz CRSIJGBSLJVKOF-OAHLLOKOSA-N 1 2 382.551 2.140 20 0 GEADLO O=C(C[N@H+]1CCC2(CCC2)C1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000122956521 532088039 /nfs/dbraw/zinc/08/80/39/532088039.db2.gz CRSIJGBSLJVKOF-OAHLLOKOSA-N 1 2 382.551 2.140 20 0 GEADLO NC(=O)C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000175246666 532094795 /nfs/dbraw/zinc/09/47/95/532094795.db2.gz TXCVRNJFHRFUHU-NSHDSACASA-N 1 2 379.309 2.355 20 0 GEADLO NC(=O)C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000175246666 532094800 /nfs/dbraw/zinc/09/48/00/532094800.db2.gz TXCVRNJFHRFUHU-NSHDSACASA-N 1 2 379.309 2.355 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000123318741 532097299 /nfs/dbraw/zinc/09/72/99/532097299.db2.gz PRNNTUCICDJWFP-CYBMUJFWSA-N 1 2 381.325 2.212 20 0 GEADLO CC[C@@](C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000123282551 532097589 /nfs/dbraw/zinc/09/75/89/532097589.db2.gz GOEQONATWXVPBG-OAHLLOKOSA-N 1 2 381.325 2.461 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000175323420 532098965 /nfs/dbraw/zinc/09/89/65/532098965.db2.gz CWHWLXASQKXZAE-NSHDSACASA-N 1 2 395.308 2.251 20 0 GEADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000124282513 532118009 /nfs/dbraw/zinc/11/80/09/532118009.db2.gz CHFJUPVLBJIKSD-RISCZKNCSA-N 1 2 379.869 2.086 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCC(C(F)(F)F)CC1 ZINC000175804887 532115114 /nfs/dbraw/zinc/11/51/14/532115114.db2.gz CVEAVKPXOQYCQC-HNNXBMFYSA-N 1 2 381.464 2.178 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[S@@](=O)Cc2cn3ccccc3[nH+]2)c1 ZINC000176494240 532138918 /nfs/dbraw/zinc/13/89/18/532138918.db2.gz ZPWGZCFCASPCIR-XMMPIXPASA-N 1 2 377.491 2.034 20 0 GEADLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000125021390 532131498 /nfs/dbraw/zinc/13/14/98/532131498.db2.gz WKNCGCSWPQHPEH-ZIAGYGMSSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000125021390 532131501 /nfs/dbraw/zinc/13/15/01/532131501.db2.gz WKNCGCSWPQHPEH-ZIAGYGMSSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000125021817 532132113 /nfs/dbraw/zinc/13/21/13/532132113.db2.gz WKNCGCSWPQHPEH-KGLIPLIRSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000125021817 532132116 /nfs/dbraw/zinc/13/21/16/532132116.db2.gz WKNCGCSWPQHPEH-KGLIPLIRSA-N 1 2 385.258 2.040 20 0 GEADLO Cc1csc(CSc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)n1 ZINC000127081388 532152437 /nfs/dbraw/zinc/15/24/37/532152437.db2.gz MSUDADRCWRLNOI-UHFFFAOYSA-N 1 2 384.552 2.075 20 0 GEADLO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000176558129 532140772 /nfs/dbraw/zinc/14/07/72/532140772.db2.gz CLBFQBIDEILUMQ-CJNGLKHVSA-N 1 2 389.323 2.324 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000176583476 532141981 /nfs/dbraw/zinc/14/19/81/532141981.db2.gz VQFIDQPDLKQLPK-CFVMTHIKSA-N 1 2 387.307 2.248 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000125791383 532142883 /nfs/dbraw/zinc/14/28/83/532142883.db2.gz WEFBZPOBKTWLGV-SKDRFNHKSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000125791383 532142885 /nfs/dbraw/zinc/14/28/85/532142885.db2.gz WEFBZPOBKTWLGV-SKDRFNHKSA-N 1 2 397.722 2.100 20 0 GEADLO CN(Cc1nc[nH]n1)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000176634073 532143599 /nfs/dbraw/zinc/14/35/99/532143599.db2.gz SKSBSFVEGOFNPK-HNNXBMFYSA-N 1 2 378.274 2.363 20 0 GEADLO CS(=O)(=O)CC1(CC(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000176685610 532145254 /nfs/dbraw/zinc/14/52/54/532145254.db2.gz FQPZYEBAWDUNRG-UHFFFAOYSA-N 1 2 382.551 2.389 20 0 GEADLO COCC[C@@](C)(O)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000176672615 532145721 /nfs/dbraw/zinc/14/57/21/532145721.db2.gz DIYWPCWDVBACLB-SJLPKXTDSA-N 1 2 399.329 2.490 20 0 GEADLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000126291951 532147156 /nfs/dbraw/zinc/14/71/56/532147156.db2.gz SVSRICGGJMWRPG-NSHDSACASA-N 1 2 377.388 2.360 20 0 GEADLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000126291951 532147159 /nfs/dbraw/zinc/14/71/59/532147159.db2.gz SVSRICGGJMWRPG-NSHDSACASA-N 1 2 377.388 2.360 20 0 GEADLO CCOC(=O)c1c(NC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O)sc(C)c1CC ZINC000126526295 532149529 /nfs/dbraw/zinc/14/95/29/532149529.db2.gz MYGHWAJTWLCJNH-SSINHNECSA-N 1 2 388.555 2.433 20 0 GEADLO CCOC(=O)c1c(NC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O)sc(C)c1CC ZINC000126526295 532149532 /nfs/dbraw/zinc/14/95/32/532149532.db2.gz MYGHWAJTWLCJNH-SSINHNECSA-N 1 2 388.555 2.433 20 0 GEADLO COCC(=O)N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000177258294 532166581 /nfs/dbraw/zinc/16/65/81/532166581.db2.gz WKXKTQOGVHHBSM-UHFFFAOYSA-N 1 2 378.270 2.288 20 0 GEADLO CN(Cc1ccc(Cl)cc1Br)C[C@@H](O)C[NH+]1CCOCC1 ZINC000177367447 532169770 /nfs/dbraw/zinc/16/97/70/532169770.db2.gz NDUGXDBGSMGXAK-CQSZACIVSA-N 1 2 377.710 2.227 20 0 GEADLO C[N@@H+](Cc1ccc(Cl)cc1Br)C[C@@H](O)CN1CCOCC1 ZINC000177367447 532169774 /nfs/dbraw/zinc/16/97/74/532169774.db2.gz NDUGXDBGSMGXAK-CQSZACIVSA-N 1 2 377.710 2.227 20 0 GEADLO C[N@H+](Cc1ccc(Cl)cc1Br)C[C@@H](O)CN1CCOCC1 ZINC000177367447 532169777 /nfs/dbraw/zinc/16/97/77/532169777.db2.gz NDUGXDBGSMGXAK-CQSZACIVSA-N 1 2 377.710 2.227 20 0 GEADLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@H](C)CS(C)(=O)=O ZINC000176944240 532156970 /nfs/dbraw/zinc/15/69/70/532156970.db2.gz ZQAMGFQHRHKEJC-NSHDSACASA-N 1 2 380.432 2.435 20 0 GEADLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@H](C)CS(C)(=O)=O ZINC000176944240 532156971 /nfs/dbraw/zinc/15/69/71/532156971.db2.gz ZQAMGFQHRHKEJC-NSHDSACASA-N 1 2 380.432 2.435 20 0 GEADLO Cc1sc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1CS(C)(=O)=O ZINC000127997736 532160098 /nfs/dbraw/zinc/16/00/98/532160098.db2.gz JBLQDKHGYUKZEB-OAHLLOKOSA-N 1 2 380.491 2.290 20 0 GEADLO CN(CC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)S(=O)(=O)c1cccs1 ZINC000128118638 532161214 /nfs/dbraw/zinc/16/12/14/532161214.db2.gz XOJSWRPTBWXLTN-MRXNPFEDSA-N 1 2 376.507 2.471 20 0 GEADLO C[C@H](C[NH2+][C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000129797139 532184641 /nfs/dbraw/zinc/18/46/41/532184641.db2.gz GFBYGEFXFKNJRR-ZWNOBZJWSA-N 1 2 376.404 2.183 20 0 GEADLO COC(=O)[C@@]1(C)CC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000177441354 532171463 /nfs/dbraw/zinc/17/14/63/532171463.db2.gz GSIOVFYTMLAQAI-HNNXBMFYSA-N 1 2 390.299 2.108 20 0 GEADLO COC(=O)[C@@]1(C)CC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000177441354 532171466 /nfs/dbraw/zinc/17/14/66/532171466.db2.gz GSIOVFYTMLAQAI-HNNXBMFYSA-N 1 2 390.299 2.108 20 0 GEADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000129143358 532173178 /nfs/dbraw/zinc/17/31/78/532173178.db2.gz BQXYFLPBSXFVEU-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000129143358 532173181 /nfs/dbraw/zinc/17/31/81/532173181.db2.gz BQXYFLPBSXFVEU-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc(I)cc2)n1 ZINC000130446175 532192096 /nfs/dbraw/zinc/19/20/96/532192096.db2.gz NXIGWYISVXFUEW-ZDUSSCGKSA-N 1 2 397.216 2.396 20 0 GEADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1coc(-c2ccc(I)cc2)n1 ZINC000130446175 532192098 /nfs/dbraw/zinc/19/20/98/532192098.db2.gz NXIGWYISVXFUEW-ZDUSSCGKSA-N 1 2 397.216 2.396 20 0 GEADLO O=C1NCC[C@@H]1[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000178197427 532195879 /nfs/dbraw/zinc/19/58/79/532195879.db2.gz SMDVWHQXKDTXHO-ZDUSSCGKSA-N 1 2 392.219 2.478 20 0 GEADLO O=C1NCC[C@H]1[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000178197415 532196284 /nfs/dbraw/zinc/19/62/84/532196284.db2.gz SMDVWHQXKDTXHO-CYBMUJFWSA-N 1 2 392.219 2.478 20 0 GEADLO CC(C)S(=O)(=O)CC[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000178228862 532197150 /nfs/dbraw/zinc/19/71/50/532197150.db2.gz MSUDVFQQVCQUDX-ZDUSSCGKSA-N 1 2 383.432 2.200 20 0 GEADLO CC(C)S(=O)(=O)CC[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000178228862 532197153 /nfs/dbraw/zinc/19/71/53/532197153.db2.gz MSUDVFQQVCQUDX-ZDUSSCGKSA-N 1 2 383.432 2.200 20 0 GEADLO CCCn1cc(C[NH+]2CCN(c3ncc(Br)c(OC)n3)CC2)cn1 ZINC000131652465 532200773 /nfs/dbraw/zinc/20/07/73/532200773.db2.gz DGPDFHQMGVKIHR-UHFFFAOYSA-N 1 2 395.305 2.176 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)Nc1cc(F)ccc1Br ZINC000178026758 532190661 /nfs/dbraw/zinc/19/06/61/532190661.db2.gz BLZXGBVFBZYZMK-UHFFFAOYSA-N 1 2 391.200 2.491 20 0 GEADLO C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178649366 532208348 /nfs/dbraw/zinc/20/83/48/532208348.db2.gz IYYRZIYQPSGWKR-GXTWGEPZSA-N 1 2 384.343 2.046 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000132320590 532212500 /nfs/dbraw/zinc/21/25/00/532212500.db2.gz WTKHSAOBBPKKFK-CVEARBPZSA-N 1 2 394.313 2.151 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000132320590 532212502 /nfs/dbraw/zinc/21/25/02/532212502.db2.gz WTKHSAOBBPKKFK-CVEARBPZSA-N 1 2 394.313 2.151 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000132320369 532212739 /nfs/dbraw/zinc/21/27/39/532212739.db2.gz WTKHSAOBBPKKFK-HOTGVXAUSA-N 1 2 394.313 2.151 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000132320369 532212742 /nfs/dbraw/zinc/21/27/42/532212742.db2.gz WTKHSAOBBPKKFK-HOTGVXAUSA-N 1 2 394.313 2.151 20 0 GEADLO C[C@H](CNC(=O)N1CCc2cc(Br)sc2C1)[NH+]1CCOCC1 ZINC000131597383 532201223 /nfs/dbraw/zinc/20/12/23/532201223.db2.gz VWPOXURCBOXKDO-LLVKDONJSA-N 1 2 388.331 2.299 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000131764780 532202956 /nfs/dbraw/zinc/20/29/56/532202956.db2.gz QBVHQEZKERNKKS-GUYCJALGSA-N 1 2 397.313 2.493 20 0 GEADLO C[C@H](C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCSCC1 ZINC000179151069 532223376 /nfs/dbraw/zinc/22/33/76/532223376.db2.gz UQJUNDJOPJKHSH-SNVBAGLBSA-N 1 2 376.309 2.485 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179647488 532240151 /nfs/dbraw/zinc/24/01/51/532240151.db2.gz DDGQUFWXVOLJLT-SNVBAGLBSA-N 1 2 378.288 2.085 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179647488 532240154 /nfs/dbraw/zinc/24/01/54/532240154.db2.gz DDGQUFWXVOLJLT-SNVBAGLBSA-N 1 2 378.288 2.085 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179675180 532241257 /nfs/dbraw/zinc/24/12/57/532241257.db2.gz HQKFLPZKYXLSOH-LLVKDONJSA-N 1 2 392.315 2.475 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179675180 532241260 /nfs/dbraw/zinc/24/12/60/532241260.db2.gz HQKFLPZKYXLSOH-LLVKDONJSA-N 1 2 392.315 2.475 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000134322541 532253720 /nfs/dbraw/zinc/25/37/20/532253720.db2.gz IWAQIUXIFROLAC-CQSZACIVSA-N 1 2 384.889 2.292 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000134322541 532253725 /nfs/dbraw/zinc/25/37/25/532253725.db2.gz IWAQIUXIFROLAC-CQSZACIVSA-N 1 2 384.889 2.292 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCc1cc(Cl)cc(Cl)c1 ZINC000133500013 532236562 /nfs/dbraw/zinc/23/65/62/532236562.db2.gz LBAVSHWCYGIAJX-INIZCTEOSA-N 1 2 375.296 2.078 20 0 GEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(Br)cc1C ZINC000179588450 532237261 /nfs/dbraw/zinc/23/72/61/532237261.db2.gz YQUVOMWXMUZLTM-UHFFFAOYSA-N 1 2 385.302 2.065 20 0 GEADLO C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3Br)c[nH+]2)CCO1 ZINC000134596119 532258602 /nfs/dbraw/zinc/25/86/02/532258602.db2.gz BSDGORQSUCBXCH-LBPRGKRZSA-N 1 2 391.269 2.394 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc(F)c(Cl)nc1Cl ZINC000134748520 532262116 /nfs/dbraw/zinc/26/21/16/532262116.db2.gz IVGPOBPGGRHEBY-UHFFFAOYSA-N 1 2 388.230 2.309 20 0 GEADLO C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1O)[C@H]1C[N@H+](C)CCO1 ZINC000134970904 532264764 /nfs/dbraw/zinc/26/47/64/532264764.db2.gz YLDVSIKWNPHMMG-PRHODGIISA-N 1 2 377.666 2.257 20 0 GEADLO C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1O)[C@H]1C[N@@H+](C)CCO1 ZINC000134970904 532264767 /nfs/dbraw/zinc/26/47/67/532264767.db2.gz YLDVSIKWNPHMMG-PRHODGIISA-N 1 2 377.666 2.257 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)cc(Cl)c1O)[C@@H]1C[N@H+](C)CCO1 ZINC000134983597 532264866 /nfs/dbraw/zinc/26/48/66/532264866.db2.gz PABJHEPAJXQXLB-UFBFGSQYSA-N 1 2 377.666 2.257 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)cc(Cl)c1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000134983597 532264869 /nfs/dbraw/zinc/26/48/69/532264869.db2.gz PABJHEPAJXQXLB-UFBFGSQYSA-N 1 2 377.666 2.257 20 0 GEADLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000180304392 532265928 /nfs/dbraw/zinc/26/59/28/532265928.db2.gz DJHUNFHCASFCKC-CQSZACIVSA-N 1 2 381.325 2.212 20 0 GEADLO O=S1(=O)CCC[C@H]1C[NH2+]Cc1ncc(Br)cc1Br ZINC000135307228 532269536 /nfs/dbraw/zinc/26/95/36/532269536.db2.gz KQLUGFRUAGHPSH-VIFPVBQESA-N 1 2 398.120 2.273 20 0 GEADLO CC[C@]1(C)C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CCO1 ZINC000135609138 532276680 /nfs/dbraw/zinc/27/66/80/532276680.db2.gz LNWBYTZEOJPLRS-QGZVFWFLSA-N 1 2 398.301 2.005 20 0 GEADLO CC[C@]1(C)C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CCO1 ZINC000135609138 532276684 /nfs/dbraw/zinc/27/66/84/532276684.db2.gz LNWBYTZEOJPLRS-QGZVFWFLSA-N 1 2 398.301 2.005 20 0 GEADLO COC(=O)[C@H](O)C1CC[NH+](Cc2cc(Br)c(OC)s2)CC1 ZINC000180670557 532277605 /nfs/dbraw/zinc/27/76/05/532277605.db2.gz LBLNARJWMRURSR-GFCCVEGCSA-N 1 2 378.288 2.265 20 0 GEADLO COC(=O)[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H](C)O1 ZINC000180664034 532277808 /nfs/dbraw/zinc/27/78/08/532277808.db2.gz OWTPGLOTWVUFKV-WBMJQRKESA-N 1 2 394.269 2.397 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H](C)O1 ZINC000180664034 532277813 /nfs/dbraw/zinc/27/78/13/532277813.db2.gz OWTPGLOTWVUFKV-WBMJQRKESA-N 1 2 394.269 2.397 20 0 GEADLO O=S(=O)([C@@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1)N1CCCC1 ZINC000180755182 532280509 /nfs/dbraw/zinc/28/05/09/532280509.db2.gz QLBCBULAWICLRL-CQSZACIVSA-N 1 2 380.539 2.273 20 0 GEADLO O=S(=O)([C@@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1)N1CCCC1 ZINC000180755182 532280513 /nfs/dbraw/zinc/28/05/13/532280513.db2.gz QLBCBULAWICLRL-CQSZACIVSA-N 1 2 380.539 2.273 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(Br)cs2)[C@H](C)C1 ZINC000180820395 532282527 /nfs/dbraw/zinc/28/25/27/532282527.db2.gz KVGMCFHPLVVADL-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(Br)cs2)[C@H](C)C1 ZINC000180820395 532282530 /nfs/dbraw/zinc/28/25/30/532282530.db2.gz KVGMCFHPLVVADL-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO C[NH+](C)CCNS(=O)(=O)c1scc(Br)c1Br ZINC000136442961 532284721 /nfs/dbraw/zinc/28/47/21/532284721.db2.gz HVOKAEZYFAJKON-UHFFFAOYSA-N 1 2 392.138 2.113 20 0 GEADLO CCNC(=O)C1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000136418947 532284936 /nfs/dbraw/zinc/28/49/36/532284936.db2.gz QVRWGCDIOJQTAD-MRXNPFEDSA-N 1 2 394.313 2.181 20 0 GEADLO CN(C)c1[nH+]cccc1CNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000136820592 532287616 /nfs/dbraw/zinc/28/76/16/532287616.db2.gz DBFLRJGXUFAIEL-OAHLLOKOSA-N 1 2 393.285 2.443 20 0 GEADLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccnn1Cc1cccs1 ZINC000135514731 532274396 /nfs/dbraw/zinc/27/43/96/532274396.db2.gz FFWFTXUFBNBRJB-GJZGRUSLSA-N 1 2 378.523 2.138 20 0 GEADLO O=C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccnn1Cc1cccs1 ZINC000135514731 532274399 /nfs/dbraw/zinc/27/43/99/532274399.db2.gz FFWFTXUFBNBRJB-GJZGRUSLSA-N 1 2 378.523 2.138 20 0 GEADLO C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000139188172 532293053 /nfs/dbraw/zinc/29/30/53/532293053.db2.gz FWIZGGLQJRMYTA-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000143424437 532296020 /nfs/dbraw/zinc/29/60/20/532296020.db2.gz PPACFAKSXLYUTP-CYBMUJFWSA-N 1 2 387.933 2.331 20 0 GEADLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000144235462 532296854 /nfs/dbraw/zinc/29/68/54/532296854.db2.gz BGTNJRXBTBFLLW-LLVKDONJSA-N 1 2 375.782 2.424 20 0 GEADLO CC[C@H](C)CS(=O)(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000181403367 532298250 /nfs/dbraw/zinc/29/82/50/532298250.db2.gz CNFFXMUHWLMWRW-AWEZNQCLSA-N 1 2 384.933 2.481 20 0 GEADLO C[N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1csc(Br)c1 ZINC000181574251 532302250 /nfs/dbraw/zinc/30/22/50/532302250.db2.gz NIYMHCRBXREITK-UHFFFAOYSA-N 1 2 377.304 2.400 20 0 GEADLO C[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1csc(Br)c1 ZINC000181574251 532302252 /nfs/dbraw/zinc/30/22/52/532302252.db2.gz NIYMHCRBXREITK-UHFFFAOYSA-N 1 2 377.304 2.400 20 0 GEADLO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2cc(Cl)ccc2Cl)cn1 ZINC000181692419 532305039 /nfs/dbraw/zinc/30/50/39/532305039.db2.gz RNPZEEVMELRLDD-ZDUSSCGKSA-N 1 2 375.281 2.062 20 0 GEADLO O=S(=O)(Cc1ccon1)N1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000181922350 532307217 /nfs/dbraw/zinc/30/72/17/532307217.db2.gz NZRJGLIRMVBRBD-UHFFFAOYSA-N 1 2 383.901 2.408 20 0 GEADLO Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cnc1Br ZINC000182448765 532313151 /nfs/dbraw/zinc/31/31/51/532313151.db2.gz NXEBGKILRIVQOQ-CQSZACIVSA-N 1 2 383.290 2.481 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)[N@@H+]1CCc2sccc2C1 ZINC000182632453 532315748 /nfs/dbraw/zinc/31/57/48/532315748.db2.gz LOKFNLCGOWSZMT-GFCCVEGCSA-N 1 2 380.491 2.202 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)[N@H+]1CCc2sccc2C1 ZINC000182632453 532315749 /nfs/dbraw/zinc/31/57/49/532315749.db2.gz LOKFNLCGOWSZMT-GFCCVEGCSA-N 1 2 380.491 2.202 20 0 GEADLO COc1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)nc1Br ZINC000182645356 532316090 /nfs/dbraw/zinc/31/60/90/532316090.db2.gz BBNLOZLXPAJQCK-UHFFFAOYSA-N 1 2 391.269 2.206 20 0 GEADLO C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[NH+]1CCSCC1 ZINC000183031554 532321204 /nfs/dbraw/zinc/32/12/04/532321204.db2.gz MOVOWJMYBAKWAP-XHDPSFHLSA-N 1 2 385.892 2.138 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000183120173 532321744 /nfs/dbraw/zinc/32/17/44/532321744.db2.gz UVPJSFRBYPWOIY-LLVKDONJSA-N 1 2 389.315 2.067 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000183120173 532321746 /nfs/dbraw/zinc/32/17/46/532321746.db2.gz UVPJSFRBYPWOIY-LLVKDONJSA-N 1 2 389.315 2.067 20 0 GEADLO CSc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000185677538 532338283 /nfs/dbraw/zinc/33/82/83/532338283.db2.gz BIBRYGKSBPGYKJ-GFCCVEGCSA-N 1 2 378.947 2.309 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2csc(Br)c2C)CC1 ZINC000185644090 532338348 /nfs/dbraw/zinc/33/83/48/532338348.db2.gz MTJMMSZSHKBBSW-UHFFFAOYSA-N 1 2 388.331 2.103 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2csc(Br)c2C)CC1 ZINC000185644090 532338349 /nfs/dbraw/zinc/33/83/49/532338349.db2.gz MTJMMSZSHKBBSW-UHFFFAOYSA-N 1 2 388.331 2.103 20 0 GEADLO C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000185791470 532338747 /nfs/dbraw/zinc/33/87/47/532338747.db2.gz RUOQGGBDHQNWOT-SUMWQHHRSA-N 1 2 384.929 2.211 20 0 GEADLO C[C@@H](C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000186207562 532340163 /nfs/dbraw/zinc/34/01/63/532340163.db2.gz PJLAPAHLSWHRNR-AWEZNQCLSA-N 1 2 385.339 2.278 20 0 GEADLO C[C@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC[N@@H+]1CCO ZINC000187261843 532343795 /nfs/dbraw/zinc/34/37/95/532343795.db2.gz YUSGWUKNMKZLRW-LBPRGKRZSA-N 1 2 383.279 2.318 20 0 GEADLO C[C@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC[N@H+]1CCO ZINC000187261843 532343796 /nfs/dbraw/zinc/34/37/96/532343796.db2.gz YUSGWUKNMKZLRW-LBPRGKRZSA-N 1 2 383.279 2.318 20 0 GEADLO COC(=O)C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000186875465 532342309 /nfs/dbraw/zinc/34/23/09/532342309.db2.gz UMKFKDQDEUGVBV-CQSZACIVSA-N 1 2 380.242 2.146 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NOCc1ccc(F)cc1Br ZINC000187134345 532343192 /nfs/dbraw/zinc/34/31/92/532343192.db2.gz ZTAKRLCPDYJTKV-LLVKDONJSA-N 1 2 390.253 2.040 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)NCc1cc2cc(Br)ccc2[nH]1 ZINC000184372437 532332252 /nfs/dbraw/zinc/33/22/52/532332252.db2.gz PNFVNEGKQGVUKV-UHFFFAOYSA-N 1 2 381.274 2.062 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000184372607 532332332 /nfs/dbraw/zinc/33/23/32/532332332.db2.gz MQRHXZMOVCTSIN-UHFFFAOYSA-N 1 2 387.311 2.157 20 0 GEADLO C[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000187949349 532346139 /nfs/dbraw/zinc/34/61/39/532346139.db2.gz KJDJFXGVBMEMFN-OCCSQVGLSA-N 1 2 390.311 2.389 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000188138922 532346940 /nfs/dbraw/zinc/34/69/40/532346940.db2.gz SRKRLSXRCRGZGQ-CMPLNLGQSA-N 1 2 386.290 2.000 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000188434892 532348206 /nfs/dbraw/zinc/34/82/06/532348206.db2.gz YBYUHIUYMMVADX-UHFFFAOYSA-N 1 2 382.873 2.419 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000188434892 532348207 /nfs/dbraw/zinc/34/82/07/532348207.db2.gz YBYUHIUYMMVADX-UHFFFAOYSA-N 1 2 382.873 2.419 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@@H+]1CCO ZINC000188722731 532349392 /nfs/dbraw/zinc/34/93/92/532349392.db2.gz QTNWIAAQZKAQHY-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@H+]1CCO ZINC000188722731 532349393 /nfs/dbraw/zinc/34/93/93/532349393.db2.gz QTNWIAAQZKAQHY-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)ncc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000188848393 532349837 /nfs/dbraw/zinc/34/98/37/532349837.db2.gz JQYPGFGYHUCVLY-ZJUUUORDSA-N 1 2 376.682 2.337 20 0 GEADLO NS(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000188962016 532350396 /nfs/dbraw/zinc/35/03/96/532350396.db2.gz QFMBHWUCDCTDPV-UHFFFAOYSA-N 1 2 383.876 2.449 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(Br)c(F)cc1F ZINC000189152949 532351179 /nfs/dbraw/zinc/35/11/79/532351179.db2.gz PESQEVDYUGLCEY-SNVBAGLBSA-N 1 2 391.260 2.485 20 0 GEADLO Cc1nc(CN2CC[NH+](CCOc3cc(F)cc(Br)c3)CC2)no1 ZINC000189189685 532351277 /nfs/dbraw/zinc/35/12/77/532351277.db2.gz OMRBXQOWMQBYQU-UHFFFAOYSA-N 1 2 399.264 2.476 20 0 GEADLO O=S1(=O)CCN(C2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)CC1 ZINC000190989361 532359003 /nfs/dbraw/zinc/35/90/03/532359003.db2.gz BMVCWPOYSPLYCC-UHFFFAOYSA-N 1 2 383.583 2.496 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@@H]2CCCO2)C1 ZINC000187358691 532344249 /nfs/dbraw/zinc/34/42/49/532344249.db2.gz IBOXDOPZPNMKAG-KEYYUXOJSA-N 1 2 391.892 2.181 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@@H]2CCCO2)C1 ZINC000187358691 532344250 /nfs/dbraw/zinc/34/42/50/532344250.db2.gz IBOXDOPZPNMKAG-KEYYUXOJSA-N 1 2 391.892 2.181 20 0 GEADLO CSC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000187744186 532345412 /nfs/dbraw/zinc/34/54/12/532345412.db2.gz AQHLSOHWGMQMJG-INIZCTEOSA-N 1 2 386.583 2.014 20 0 GEADLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1nc(C(C)(C)C)cs1 ZINC000463420877 532373173 /nfs/dbraw/zinc/37/31/73/532373173.db2.gz CMSIJTYYNLDZFR-ZDUSSCGKSA-N 1 2 375.560 2.143 20 0 GEADLO C[C@H](C(=O)N(CCO)CC[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000677443430 532373989 /nfs/dbraw/zinc/37/39/89/532373989.db2.gz RKKZRRTZBGCUJK-ZDUSSCGKSA-N 1 2 375.296 2.250 20 0 GEADLO CC(C)(C(=O)NC[C@H](CO)Cc1ccc(Br)cc1)c1c[nH]c[nH+]1 ZINC000621973572 532374765 /nfs/dbraw/zinc/37/47/65/532374765.db2.gz QSUCMIWNEJHSKI-CYBMUJFWSA-N 1 2 380.286 2.417 20 0 GEADLO C[C@@H](NC(=O)CSc1n[nH]c(=S)s1)C1([NH+]2CCOCC2)CCCC1 ZINC000371912720 532362320 /nfs/dbraw/zinc/36/23/20/532362320.db2.gz UZUNGPMQGCTQFY-LLVKDONJSA-N 1 2 388.584 2.069 20 0 GEADLO COc1ccccc1NC(=O)C[S@@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000462989530 532364144 /nfs/dbraw/zinc/36/41/44/532364144.db2.gz MJDIKMNZDRXZTK-VWLOTQADSA-N 1 2 375.372 2.341 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C[C@H]1C ZINC000677147546 532365399 /nfs/dbraw/zinc/36/53/99/532365399.db2.gz FFGHIUBMJXSTTA-SECBINFHSA-N 1 2 383.258 2.442 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C[C@H]1C ZINC000677147546 532365404 /nfs/dbraw/zinc/36/54/04/532365404.db2.gz FFGHIUBMJXSTTA-SECBINFHSA-N 1 2 383.258 2.442 20 0 GEADLO C[C@@H](Nc1cc[nH+]c2c(Cl)cccc12)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000557572661 532367826 /nfs/dbraw/zinc/36/78/26/532367826.db2.gz XHXJEPGTCSSCNP-NEPJUHHUSA-N 1 2 381.885 2.240 20 0 GEADLO CS(=O)(=O)NCC[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000463189470 532368463 /nfs/dbraw/zinc/36/84/63/532368463.db2.gz ALUFFUMMUAVICV-JOCHJYFZSA-N 1 2 399.365 2.115 20 0 GEADLO CS(=O)(=O)NCC[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000463189470 532368468 /nfs/dbraw/zinc/36/84/68/532368468.db2.gz ALUFFUMMUAVICV-JOCHJYFZSA-N 1 2 399.365 2.115 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000621869997 532369451 /nfs/dbraw/zinc/36/94/51/532369451.db2.gz UQPDCELUOPXNTL-LBPRGKRZSA-N 1 2 391.269 2.464 20 0 GEADLO COC(=O)c1ncsc1S(=O)(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000372084544 532370774 /nfs/dbraw/zinc/37/07/74/532370774.db2.gz VNNYQYSUSSUDEP-LBPRGKRZSA-N 1 2 387.527 2.005 20 0 GEADLO COC(=O)c1ncsc1S(=O)(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000372084544 532370781 /nfs/dbraw/zinc/37/07/81/532370781.db2.gz VNNYQYSUSSUDEP-LBPRGKRZSA-N 1 2 387.527 2.005 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000621869996 532370838 /nfs/dbraw/zinc/37/08/38/532370838.db2.gz UQPDCELUOPXNTL-GFCCVEGCSA-N 1 2 391.269 2.464 20 0 GEADLO O=C1C[C@H]([N@@H+]2CC[C@H](n3cncn3)C2)C(=O)N1c1cccc(Cl)c1Cl ZINC000372268711 532379795 /nfs/dbraw/zinc/37/97/95/532379795.db2.gz RQHHHMMEWPXXKC-GWCFXTLKSA-N 1 2 380.235 2.164 20 0 GEADLO O=C1C[C@H]([N@H+]2CC[C@H](n3cncn3)C2)C(=O)N1c1cccc(Cl)c1Cl ZINC000372268711 532379800 /nfs/dbraw/zinc/37/98/00/532379800.db2.gz RQHHHMMEWPXXKC-GWCFXTLKSA-N 1 2 380.235 2.164 20 0 GEADLO O=S1(=O)CC[C@H](CC[N@@H+](CCO)Cc2cc(Br)ccc2F)C1 ZINC000677682452 532380573 /nfs/dbraw/zinc/38/05/73/532380573.db2.gz VWXWQGCXMRAKGB-LBPRGKRZSA-N 1 2 394.306 2.207 20 0 GEADLO O=S1(=O)CC[C@H](CC[N@H+](CCO)Cc2cc(Br)ccc2F)C1 ZINC000677682452 532380584 /nfs/dbraw/zinc/38/05/84/532380584.db2.gz VWXWQGCXMRAKGB-LBPRGKRZSA-N 1 2 394.306 2.207 20 0 GEADLO O=C(NCc1cn2ccccc2[nH+]1)C(=O)Nc1c(F)cccc1Br ZINC000516205364 532382521 /nfs/dbraw/zinc/38/25/21/532382521.db2.gz DQZPZWIKHDUTJE-UHFFFAOYSA-N 1 2 391.200 2.491 20 0 GEADLO CN(C)c1[nH+]cc(CNS(=O)(=O)c2csnc2-c2ccccc2)n1C ZINC000647898853 532383986 /nfs/dbraw/zinc/38/39/86/532383986.db2.gz QTLZZRWZXVINCS-UHFFFAOYSA-N 1 2 377.495 2.088 20 0 GEADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2cccc(Br)c2)C[C@H]1O ZINC000558107194 532384640 /nfs/dbraw/zinc/38/46/40/532384640.db2.gz SHCYISCUPLNTLM-HZPDHXFCSA-N 1 2 399.329 2.268 20 0 GEADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2cccc(Br)c2)C[C@H]1O ZINC000558107194 532384646 /nfs/dbraw/zinc/38/46/46/532384646.db2.gz SHCYISCUPLNTLM-HZPDHXFCSA-N 1 2 399.329 2.268 20 0 GEADLO CO[C@H](C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CC1 ZINC000425388390 532384788 /nfs/dbraw/zinc/38/47/88/532384788.db2.gz WVLUFJFWQHSWNV-MRXNPFEDSA-N 1 2 376.881 2.210 20 0 GEADLO C[N@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192075686 532384759 /nfs/dbraw/zinc/38/47/59/532384759.db2.gz URIMKOQCNVHQBO-VXGBXAGGSA-N 1 2 381.192 2.409 20 0 GEADLO C[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192075686 532384764 /nfs/dbraw/zinc/38/47/64/532384764.db2.gz URIMKOQCNVHQBO-VXGBXAGGSA-N 1 2 381.192 2.409 20 0 GEADLO CC(C)[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000463873444 532385459 /nfs/dbraw/zinc/38/54/59/532385459.db2.gz ZVWIKDFXIYVTDC-KRWDZBQOSA-N 1 2 376.469 2.304 20 0 GEADLO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)s2)cc1 ZINC000425404204 532385861 /nfs/dbraw/zinc/38/58/61/532385861.db2.gz LAWPTDBSBRAEFS-INIZCTEOSA-N 1 2 384.523 2.172 20 0 GEADLO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)s2)cc1 ZINC000425404204 532385866 /nfs/dbraw/zinc/38/58/66/532385866.db2.gz LAWPTDBSBRAEFS-INIZCTEOSA-N 1 2 384.523 2.172 20 0 GEADLO O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590816052 532387386 /nfs/dbraw/zinc/38/73/86/532387386.db2.gz FIRMFAYYRDHIOL-OAHLLOKOSA-N 1 2 391.269 2.239 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cnc2c(Br)cccn12 ZINC000425675199 532390026 /nfs/dbraw/zinc/39/00/26/532390026.db2.gz QSQXVKGRDFIMES-UHFFFAOYSA-N 1 2 396.289 2.329 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1cnc2c(Br)cccn12 ZINC000425675199 532390029 /nfs/dbraw/zinc/39/00/29/532390029.db2.gz QSQXVKGRDFIMES-UHFFFAOYSA-N 1 2 396.289 2.329 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000623932020 532391157 /nfs/dbraw/zinc/39/11/57/532391157.db2.gz VMCYXUYHHLJUKQ-KGLIPLIRSA-N 1 2 387.311 2.202 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000623932020 532391166 /nfs/dbraw/zinc/39/11/66/532391166.db2.gz VMCYXUYHHLJUKQ-KGLIPLIRSA-N 1 2 387.311 2.202 20 0 GEADLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000192185999 532391593 /nfs/dbraw/zinc/39/15/93/532391593.db2.gz ZRIJDOYQUOADBZ-UHFFFAOYSA-N 1 2 397.722 2.055 20 0 GEADLO Cn1ncc(Br)c1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000294987842 532393888 /nfs/dbraw/zinc/39/38/88/532393888.db2.gz YSVRBYJSKZRULC-UHFFFAOYSA-N 1 2 392.301 2.182 20 0 GEADLO Cn1c[nH+]cc1CC(=O)Nc1n[nH]c(-c2ccc(Br)cc2F)n1 ZINC000558523379 532393998 /nfs/dbraw/zinc/39/39/98/532393998.db2.gz VOUYPICLLNIHGD-UHFFFAOYSA-N 1 2 379.193 2.288 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000192261209 532397791 /nfs/dbraw/zinc/39/77/91/532397791.db2.gz PNOHPFWERFBCAX-UHFFFAOYSA-N 1 2 381.274 2.449 20 0 GEADLO Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000516921566 532398106 /nfs/dbraw/zinc/39/81/06/532398106.db2.gz VFGPAJTZUXRYLY-OAHLLOKOSA-N 1 2 376.507 2.279 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC000294994549 532395882 /nfs/dbraw/zinc/39/58/82/532395882.db2.gz HXQDXMSKILWFGD-INIZCTEOSA-N 1 2 382.258 2.108 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC000294994549 532395883 /nfs/dbraw/zinc/39/58/83/532395883.db2.gz HXQDXMSKILWFGD-INIZCTEOSA-N 1 2 382.258 2.108 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC000294994552 532396292 /nfs/dbraw/zinc/39/62/92/532396292.db2.gz HXQDXMSKILWFGD-MRXNPFEDSA-N 1 2 382.258 2.108 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC000294994552 532396299 /nfs/dbraw/zinc/39/62/99/532396299.db2.gz HXQDXMSKILWFGD-MRXNPFEDSA-N 1 2 382.258 2.108 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](N2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000516936122 532396996 /nfs/dbraw/zinc/39/69/96/532396996.db2.gz TZIPEOKRVDMSSX-INIZCTEOSA-N 1 2 382.302 2.184 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](N2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000516936122 532397000 /nfs/dbraw/zinc/39/70/00/532397000.db2.gz TZIPEOKRVDMSSX-INIZCTEOSA-N 1 2 382.302 2.184 20 0 GEADLO O=C(CN1CCC[C@H]([NH+]2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000516936122 532397003 /nfs/dbraw/zinc/39/70/03/532397003.db2.gz TZIPEOKRVDMSSX-INIZCTEOSA-N 1 2 382.302 2.184 20 0 GEADLO CCN(C(=O)[C@@H](C)[N@@H+]1CCSC(CC)(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000464586261 532400320 /nfs/dbraw/zinc/40/03/20/532400320.db2.gz GVYOXAVGZUWJFB-HUUCEWRRSA-N 1 2 376.588 2.018 20 0 GEADLO CCN(C(=O)[C@@H](C)[N@H+]1CCSC(CC)(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000464586261 532400327 /nfs/dbraw/zinc/40/03/27/532400327.db2.gz GVYOXAVGZUWJFB-HUUCEWRRSA-N 1 2 376.588 2.018 20 0 GEADLO CCC[N@H+](Cc1cc(Br)ccc1C(=O)OC)[C@@H]1CC(=O)N(C)C1=O ZINC000558728673 532399137 /nfs/dbraw/zinc/39/91/37/532399137.db2.gz ZMPRXKSWHQPXDO-CQSZACIVSA-N 1 2 397.269 2.205 20 0 GEADLO CCC[N@@H+](Cc1cc(Br)ccc1C(=O)OC)[C@@H]1CC(=O)N(C)C1=O ZINC000558728673 532399141 /nfs/dbraw/zinc/39/91/41/532399141.db2.gz ZMPRXKSWHQPXDO-CQSZACIVSA-N 1 2 397.269 2.205 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccoc3Cl)c2)CC1 ZINC000192291874 532399262 /nfs/dbraw/zinc/39/92/62/532399262.db2.gz OXMIIQQASSLGDU-UHFFFAOYSA-N 1 2 383.857 2.121 20 0 GEADLO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000678627265 532399284 /nfs/dbraw/zinc/39/92/84/532399284.db2.gz CLWZTRXORIRLJC-LSDHHAIUSA-N 1 2 375.296 2.140 20 0 GEADLO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000591228594 532402567 /nfs/dbraw/zinc/40/25/67/532402567.db2.gz OKGIPZIXYLTHMA-NEPJUHHUSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000591228594 532402574 /nfs/dbraw/zinc/40/25/74/532402574.db2.gz OKGIPZIXYLTHMA-NEPJUHHUSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)COc1ccc(Br)cc1Cl ZINC000591226262 532403064 /nfs/dbraw/zinc/40/30/64/532403064.db2.gz SWRZLJZHQXKVDQ-LLVKDONJSA-N 1 2 391.693 2.318 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)COc1ccc(Br)cc1Cl ZINC000591226262 532403074 /nfs/dbraw/zinc/40/30/74/532403074.db2.gz SWRZLJZHQXKVDQ-LLVKDONJSA-N 1 2 391.693 2.318 20 0 GEADLO COc1cc(NC(=O)C[NH+]2CCC(O)(C(F)F)CC2)c(OC)cc1Cl ZINC000426278028 532403859 /nfs/dbraw/zinc/40/38/59/532403859.db2.gz UIFITIBGDDZWCH-UHFFFAOYSA-N 1 2 378.803 2.388 20 0 GEADLO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000679473098 532405622 /nfs/dbraw/zinc/40/56/22/532405622.db2.gz OYYMXZYIOHLSGZ-LSDHHAIUSA-N 1 2 379.309 2.213 20 0 GEADLO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1(S(C)(=O)=O)CC1 ZINC000517194075 532408027 /nfs/dbraw/zinc/40/80/27/532408027.db2.gz JDQPQMVKXQJUSL-KBPBESRZSA-N 1 2 385.555 2.150 20 0 GEADLO CCOc1cc(C[NH2+]Cc2nnc3n2CCOC3)cc(Br)c1OC ZINC000372775164 532408159 /nfs/dbraw/zinc/40/81/59/532408159.db2.gz HHLNJZHXQNKRLR-UHFFFAOYSA-N 1 2 397.273 2.268 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464800486 532406582 /nfs/dbraw/zinc/40/65/82/532406582.db2.gz WIQHODGGMCCEKN-PXAZEXFGSA-N 1 2 380.286 2.378 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464800486 532406590 /nfs/dbraw/zinc/40/65/90/532406590.db2.gz WIQHODGGMCCEKN-PXAZEXFGSA-N 1 2 380.286 2.378 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1F ZINC000560062070 532411451 /nfs/dbraw/zinc/41/14/51/532411451.db2.gz YWONVQSYTJLFOO-UHFFFAOYSA-N 1 2 378.897 2.458 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)o1 ZINC000295156037 532411778 /nfs/dbraw/zinc/41/17/78/532411778.db2.gz GQNXDRYELNUGTK-PWSUYJOCSA-N 1 2 388.251 2.289 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)o1 ZINC000295156037 532411787 /nfs/dbraw/zinc/41/17/87/532411787.db2.gz GQNXDRYELNUGTK-PWSUYJOCSA-N 1 2 388.251 2.289 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000192983036 532414373 /nfs/dbraw/zinc/41/43/73/532414373.db2.gz CEHFYRUSJYUWCS-UHFFFAOYSA-N 1 2 380.286 2.040 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000591589082 532414559 /nfs/dbraw/zinc/41/45/59/532414559.db2.gz ZHWHJZXWODRUFD-WQVCFCJDSA-N 1 2 382.302 2.325 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000591589082 532414568 /nfs/dbraw/zinc/41/45/68/532414568.db2.gz ZHWHJZXWODRUFD-WQVCFCJDSA-N 1 2 382.302 2.325 20 0 GEADLO CC[N@H+](CCNC(=O)c1ccc(S(=O)(=O)CC)cc1)CCC(F)(F)F ZINC000427211849 532415828 /nfs/dbraw/zinc/41/58/28/532415828.db2.gz MSZOYEOMTMIBCX-UHFFFAOYSA-N 1 2 380.432 2.484 20 0 GEADLO CC[N@@H+](CCNC(=O)c1ccc(S(=O)(=O)CC)cc1)CCC(F)(F)F ZINC000427211849 532415839 /nfs/dbraw/zinc/41/58/39/532415839.db2.gz MSZOYEOMTMIBCX-UHFFFAOYSA-N 1 2 380.432 2.484 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccccc1Br)[C@H]1CCn2c[nH+]cc2C1 ZINC000372868810 532415919 /nfs/dbraw/zinc/41/59/19/532415919.db2.gz AFPNKZSHFONGCR-HIFRSBDPSA-N 1 2 392.297 2.175 20 0 GEADLO COc1cc(CNC(=O)CCc2c[nH+]cn2C)cc(Br)c1OC ZINC000193043035 532418913 /nfs/dbraw/zinc/41/89/13/532418913.db2.gz XSVCVNAPRPYJMD-UHFFFAOYSA-N 1 2 382.258 2.449 20 0 GEADLO Cc1cc(CNC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)[nH]n1 ZINC000680553358 532417988 /nfs/dbraw/zinc/41/79/88/532417988.db2.gz SMSIVHJPSFWQHD-UHFFFAOYSA-N 1 2 377.246 2.436 20 0 GEADLO CN1CCC[C@@]2(CC[N@@H+]([C@H](C(N)=O)c3ccc(Br)cc3F)C2)C1=O ZINC000372900393 532418399 /nfs/dbraw/zinc/41/83/99/532418399.db2.gz BZWQFZZTDCYKCT-YOEHRIQHSA-N 1 2 398.276 2.059 20 0 GEADLO CN1CCC[C@@]2(CC[N@H+]([C@H](C(N)=O)c3ccc(Br)cc3F)C2)C1=O ZINC000372900393 532418405 /nfs/dbraw/zinc/41/84/05/532418405.db2.gz BZWQFZZTDCYKCT-YOEHRIQHSA-N 1 2 398.276 2.059 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H]4CC[C@@H](C3)O4)[nH+]c12 ZINC000680613508 532419270 /nfs/dbraw/zinc/41/92/70/532419270.db2.gz GAIORLWZFGYBGT-OKILXGFUSA-N 1 2 379.258 2.478 20 0 GEADLO Cc1ccc([C@@H]([NH2+]CC(=O)N(C)c2nccs2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280956726 532419332 /nfs/dbraw/zinc/41/93/32/532419332.db2.gz YFGVOEPUEYBHAV-BBRMVZONSA-N 1 2 381.523 2.178 20 0 GEADLO CN(C)[C@H](C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)c1c[nH+]cn1C ZINC000281232751 532422542 /nfs/dbraw/zinc/42/25/42/532422542.db2.gz NAHJNNUSRREIFF-INIZCTEOSA-N 1 2 385.295 2.351 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000466216717 532422807 /nfs/dbraw/zinc/42/28/07/532422807.db2.gz NRBMCWGKVYGEHE-KRWDZBQOSA-N 1 2 382.917 2.428 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000466216717 532422813 /nfs/dbraw/zinc/42/28/13/532422813.db2.gz NRBMCWGKVYGEHE-KRWDZBQOSA-N 1 2 382.917 2.428 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1ccccc1Br ZINC000281235195 532421790 /nfs/dbraw/zinc/42/17/90/532421790.db2.gz LIDPXKSTDVEHJO-CQSZACIVSA-N 1 2 382.346 2.479 20 0 GEADLO O=S(=O)(c1cccs1)N1CCC[C@@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000560840431 532425700 /nfs/dbraw/zinc/42/57/00/532425700.db2.gz YSNKUOAIUXPZOS-CYBMUJFWSA-N 1 2 379.511 2.378 20 0 GEADLO O=S(=O)(c1cccs1)N1CCC[C@@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000560840431 532425712 /nfs/dbraw/zinc/42/57/12/532425712.db2.gz YSNKUOAIUXPZOS-CYBMUJFWSA-N 1 2 379.511 2.378 20 0 GEADLO Brc1ccc(-c2nc([C@H]3C[NH+]4CCN3CC4)no2)c2c1CCCO2 ZINC000517781040 532427328 /nfs/dbraw/zinc/42/73/28/532427328.db2.gz DQJXXGIKKLITLR-CQSZACIVSA-N 1 2 391.269 2.496 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 ZINC000373152203 532435572 /nfs/dbraw/zinc/43/55/72/532435572.db2.gz OXPZYMCVTRIVSP-CVEARBPZSA-N 1 2 388.265 2.371 20 0 GEADLO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000681691464 532436145 /nfs/dbraw/zinc/43/61/45/532436145.db2.gz QOQZGUOOEVBHMO-LBPRGKRZSA-N 1 2 375.372 2.216 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2c(Br)cnn2C)CC1 ZINC000295317599 532432719 /nfs/dbraw/zinc/43/27/19/532432719.db2.gz SKFDEZMEUATQJK-GFCCVEGCSA-N 1 2 378.274 2.097 20 0 GEADLO CCCc1nc(C[N@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cs1 ZINC000295314452 532432739 /nfs/dbraw/zinc/43/27/39/532432739.db2.gz VZCRWZYQPYGKJJ-UHFFFAOYSA-N 1 2 382.555 2.311 20 0 GEADLO CCCc1nc(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cs1 ZINC000295314452 532432745 /nfs/dbraw/zinc/43/27/45/532432745.db2.gz VZCRWZYQPYGKJJ-UHFFFAOYSA-N 1 2 382.555 2.311 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCc3cc(F)cc(Br)c3C2)C1 ZINC000626132779 532433792 /nfs/dbraw/zinc/43/37/92/532433792.db2.gz YIGVRVFNAZNRFB-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCc3cc(F)cc(Br)c3C2)C1 ZINC000626132779 532433802 /nfs/dbraw/zinc/43/38/02/532433802.db2.gz YIGVRVFNAZNRFB-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2Br)c[nH+]1 ZINC000466751172 532434009 /nfs/dbraw/zinc/43/40/09/532434009.db2.gz CKCBUPBYSRLWJD-UHFFFAOYSA-N 1 2 395.232 2.304 20 0 GEADLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1scnc1C(=O)OC ZINC000281836698 532437115 /nfs/dbraw/zinc/43/71/15/532437115.db2.gz XNDFNHCVTJQTHE-LLVKDONJSA-N 1 2 384.483 2.062 20 0 GEADLO CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000626159346 532435172 /nfs/dbraw/zinc/43/51/72/532435172.db2.gz LHWKVGCQPBBXJD-ZDUSSCGKSA-N 1 2 393.285 2.499 20 0 GEADLO CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000626159346 532435181 /nfs/dbraw/zinc/43/51/81/532435181.db2.gz LHWKVGCQPBBXJD-ZDUSSCGKSA-N 1 2 393.285 2.499 20 0 GEADLO COc1ccc(-c2csc(NC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)n2)cc1 ZINC000467184691 532440659 /nfs/dbraw/zinc/44/06/59/532440659.db2.gz DGMZGQDEBQMPOX-VDBVYFBLSA-N 1 2 381.523 2.456 20 0 GEADLO COc1ccc(-c2csc(NC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)n2)cc1 ZINC000467184691 532440664 /nfs/dbraw/zinc/44/06/64/532440664.db2.gz DGMZGQDEBQMPOX-VDBVYFBLSA-N 1 2 381.523 2.456 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N1CC2(C1)CCCO2 ZINC000626582883 532441243 /nfs/dbraw/zinc/44/12/43/532441243.db2.gz BYYLOZSNJIFOHW-UHFFFAOYSA-N 1 2 397.273 2.077 20 0 GEADLO CCc1[nH]nc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1Br ZINC000518475222 532441392 /nfs/dbraw/zinc/44/13/92/532441392.db2.gz PRCBMUATRWFPOH-CYBMUJFWSA-N 1 2 399.333 2.452 20 0 GEADLO C[NH+](C)C1(CNC(=O)c2cc(Br)c(F)cc2O)CCOCC1 ZINC000295350896 532437371 /nfs/dbraw/zinc/43/73/71/532437371.db2.gz VKJZZRMOLGRXGQ-UHFFFAOYSA-N 1 2 375.238 2.134 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1I ZINC000428001249 532439110 /nfs/dbraw/zinc/43/91/10/532439110.db2.gz PFIXCNGXFIXKRT-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(I)c1 ZINC000427999505 532439343 /nfs/dbraw/zinc/43/93/43/532439343.db2.gz ZNVWJBWVZAGXMS-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO O=C1CN(S(=O)(=O)Cc2ccccc2Br)c2cc[nH+]cc2N1 ZINC000561518868 532442763 /nfs/dbraw/zinc/44/27/63/532442763.db2.gz KQXZGPXKJIHJCC-UHFFFAOYSA-N 1 2 382.239 2.133 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000518830501 532447231 /nfs/dbraw/zinc/44/72/31/532447231.db2.gz NNMNGDMAZVTAGY-AWEZNQCLSA-N 1 2 388.917 2.405 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000518830501 532447237 /nfs/dbraw/zinc/44/72/37/532447237.db2.gz NNMNGDMAZVTAGY-AWEZNQCLSA-N 1 2 388.917 2.405 20 0 GEADLO O=C(C[N@@H+]1CCc2sccc2C1)NCC1CCN(CC(F)(F)F)CC1 ZINC000373427786 532449063 /nfs/dbraw/zinc/44/90/63/532449063.db2.gz VQQKRWUESGCMAD-UHFFFAOYSA-N 1 2 375.460 2.497 20 0 GEADLO O=C(C[N@H+]1CCc2sccc2C1)NCC1CCN(CC(F)(F)F)CC1 ZINC000373427786 532449071 /nfs/dbraw/zinc/44/90/71/532449071.db2.gz VQQKRWUESGCMAD-UHFFFAOYSA-N 1 2 375.460 2.497 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC1 ZINC000682419566 532446101 /nfs/dbraw/zinc/44/61/01/532446101.db2.gz AOBFUVFLKYSCCR-SNVBAGLBSA-N 1 2 386.283 2.205 20 0 GEADLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000592363713 532451888 /nfs/dbraw/zinc/45/18/88/532451888.db2.gz QMRKAEFDCABQEN-CQSZACIVSA-N 1 2 378.885 2.306 20 0 GEADLO Nc1ccccc1S(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000428409092 532452424 /nfs/dbraw/zinc/45/24/24/532452424.db2.gz ZUUZLIVADRQEOD-INIZCTEOSA-N 1 2 377.535 2.165 20 0 GEADLO Nc1ccccc1S(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000428409092 532452428 /nfs/dbraw/zinc/45/24/28/532452428.db2.gz ZUUZLIVADRQEOD-INIZCTEOSA-N 1 2 377.535 2.165 20 0 GEADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N(CCO)Cc1ccc(Br)s1 ZINC000682992647 532452892 /nfs/dbraw/zinc/45/28/92/532452892.db2.gz GBUKNDCYDPXVGW-LLVKDONJSA-N 1 2 384.299 2.291 20 0 GEADLO CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000592380033 532453223 /nfs/dbraw/zinc/45/32/23/532453223.db2.gz RVOUXHJKYCQYOC-MNOVXSKESA-N 1 2 378.420 2.009 20 0 GEADLO O=C1CN(Cc2cn3cc(Br)ccc3[nH+]2)CN1CC(F)(F)F ZINC000683099638 532455772 /nfs/dbraw/zinc/45/57/72/532455772.db2.gz CGDAJHFCOLLFEY-UHFFFAOYSA-N 1 2 377.164 2.261 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NC2(c3ccccc3Br)CCC2)C1 ZINC000650865846 532455854 /nfs/dbraw/zinc/45/58/54/532455854.db2.gz UUBHSYZRVMOXOP-AWEZNQCLSA-N 1 2 395.345 2.373 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NC2(c3ccccc3Br)CCC2)C1 ZINC000650865846 532455862 /nfs/dbraw/zinc/45/58/62/532455862.db2.gz UUBHSYZRVMOXOP-AWEZNQCLSA-N 1 2 395.345 2.373 20 0 GEADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ncc(Br)s1 ZINC000683403426 532456336 /nfs/dbraw/zinc/45/63/36/532456336.db2.gz CDPCOHXXXVVPCP-UHFFFAOYSA-N 1 2 395.326 2.458 20 0 GEADLO CC[C@@H](C(=O)NCc1cn2cc(Br)ccc2[nH+]1)N1CCCC1=O ZINC000467988008 532458210 /nfs/dbraw/zinc/45/82/10/532458210.db2.gz ITJWQUHFIVVEQI-ZDUSSCGKSA-N 1 2 379.258 2.114 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2ccc(I)cc2)CCO1 ZINC000194902824 532462744 /nfs/dbraw/zinc/46/27/44/532462744.db2.gz RFRAQJPYFVVNGE-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(I)cc2)CCO1 ZINC000194902824 532462749 /nfs/dbraw/zinc/46/27/49/532462749.db2.gz RFRAQJPYFVVNGE-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO Cc1cc2c(o1)c(C(=O)NC[C@H]1C[NH+]3CCN1CC3)ccc2Br ZINC000467961527 532458753 /nfs/dbraw/zinc/45/87/53/532458753.db2.gz ZLESGMYKEZJOCP-LBPRGKRZSA-N 1 2 378.270 2.233 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2csc(C)c2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000373587589 532458963 /nfs/dbraw/zinc/45/89/63/532458963.db2.gz XWFWIDBMLGTCQC-UXLLHSPISA-N 1 2 384.567 2.270 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](c2csc(C)c2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000373587589 532458969 /nfs/dbraw/zinc/45/89/69/532458969.db2.gz XWFWIDBMLGTCQC-UXLLHSPISA-N 1 2 384.567 2.270 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)S(=O)(=O)Cc1c[nH+]cn1C ZINC000467952207 532458943 /nfs/dbraw/zinc/45/89/43/532458943.db2.gz LKMKODBVKSINKA-JTQLQIEISA-N 1 2 386.271 2.125 20 0 GEADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000282410557 532464672 /nfs/dbraw/zinc/46/46/72/532464672.db2.gz QFTQMMIOVSZGLT-HQJQHLMTSA-N 1 2 377.080 2.221 20 0 GEADLO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628475483 532469831 /nfs/dbraw/zinc/46/98/31/532469831.db2.gz UBLSSDLMNVSJCQ-MRXNPFEDSA-N 1 2 393.285 2.019 20 0 GEADLO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628475483 532469839 /nfs/dbraw/zinc/46/98/39/532469839.db2.gz UBLSSDLMNVSJCQ-MRXNPFEDSA-N 1 2 393.285 2.019 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc2ncsc2c1)C(C)(C)CO ZINC000295717926 532470793 /nfs/dbraw/zinc/47/07/93/532470793.db2.gz LKZXBLSFADGIDB-AWEZNQCLSA-N 1 2 380.495 2.068 20 0 GEADLO Cc1ccnc(NCC[NH+]2CCN(c3ncccn3)CC2)c1Br ZINC000429202848 532471796 /nfs/dbraw/zinc/47/17/96/532471796.db2.gz KMNYEBXESJANBH-UHFFFAOYSA-N 1 2 377.290 2.177 20 0 GEADLO Cc1[nH]c[nH+]c1CC(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628683713 532472359 /nfs/dbraw/zinc/47/23/59/532472359.db2.gz WZBOQJUAORIYON-QGZVFWFLSA-N 1 2 378.270 2.059 20 0 GEADLO COC(=O)[C@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)[C@H]1C ZINC000468528358 532467450 /nfs/dbraw/zinc/46/74/50/532467450.db2.gz MLYINUVVSBASTO-GWCFXTLKSA-N 1 2 395.257 2.190 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628917834 532476683 /nfs/dbraw/zinc/47/66/83/532476683.db2.gz MIHSKOJNVGJXDU-HNNXBMFYSA-N 1 2 393.285 2.004 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628917834 532476688 /nfs/dbraw/zinc/47/66/88/532476688.db2.gz MIHSKOJNVGJXDU-HNNXBMFYSA-N 1 2 393.285 2.004 20 0 GEADLO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628919476 532477595 /nfs/dbraw/zinc/47/75/95/532477595.db2.gz UHAPXRZMBNUZPU-WBVHZDCISA-N 1 2 399.329 2.091 20 0 GEADLO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628919476 532477601 /nfs/dbraw/zinc/47/76/01/532477601.db2.gz UHAPXRZMBNUZPU-WBVHZDCISA-N 1 2 399.329 2.091 20 0 GEADLO O[C@@H]1C[C@H](O)C[N@@H+](CCOc2c(Br)cccc2Br)C1 ZINC000684618673 532480000 /nfs/dbraw/zinc/48/00/00/532480000.db2.gz SLOULJRBUHCLGD-AOOOYVTPSA-N 1 2 395.091 2.018 20 0 GEADLO O[C@@H]1C[C@H](O)C[N@H+](CCOc2c(Br)cccc2Br)C1 ZINC000684618673 532480006 /nfs/dbraw/zinc/48/00/06/532480006.db2.gz SLOULJRBUHCLGD-AOOOYVTPSA-N 1 2 395.091 2.018 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000651603739 532481786 /nfs/dbraw/zinc/48/17/86/532481786.db2.gz DFCFDNRKKXQISY-SECBINFHSA-N 1 2 394.686 2.110 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000468937308 532482329 /nfs/dbraw/zinc/48/23/29/532482329.db2.gz JBURRKJNVPDEDF-LBPRGKRZSA-N 1 2 387.889 2.308 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)COc1ccc(F)cc1Br ZINC000469002996 532485064 /nfs/dbraw/zinc/48/50/64/532485064.db2.gz SDKAKWVACSAPDJ-GFCCVEGCSA-N 1 2 389.265 2.146 20 0 GEADLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1nc(N)nc(Cl)n1 ZINC000295915358 532487171 /nfs/dbraw/zinc/48/71/71/532487171.db2.gz FYPXEHOJUNBBAZ-KDDOJWQBSA-N 1 2 381.267 2.383 20 0 GEADLO O=C(NC[C@@H]1CCCOC1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000562926348 532488480 /nfs/dbraw/zinc/48/84/80/532488480.db2.gz BQYJOKKYWHDZNM-LBPRGKRZSA-N 1 2 399.289 2.229 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CSc2n[nH]c(=S)s2)C[C@H](C)O1 ZINC000374095839 532488854 /nfs/dbraw/zinc/48/88/54/532488854.db2.gz VZBWEAANNOZAQB-GRYCIOLGSA-N 1 2 388.584 2.019 20 0 GEADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)CSc2n[nH]c(=S)s2)C[C@H](C)O1 ZINC000374095839 532488861 /nfs/dbraw/zinc/48/88/61/532488861.db2.gz VZBWEAANNOZAQB-GRYCIOLGSA-N 1 2 388.584 2.019 20 0 GEADLO O=C(NCc1ccccn1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000520350066 532490537 /nfs/dbraw/zinc/49/05/37/532490537.db2.gz XEFYXKWXVDYFEG-UHFFFAOYSA-N 1 2 392.257 2.397 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000374307975 532497172 /nfs/dbraw/zinc/49/71/72/532497172.db2.gz CYPAVRFGCORBPI-ZDUSSCGKSA-N 1 2 389.308 2.371 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1occc1Br ZINC000629437105 532491327 /nfs/dbraw/zinc/49/13/27/532491327.db2.gz HFPRYCILEBRGBV-CYBMUJFWSA-N 1 2 380.242 2.068 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1occc1Br ZINC000629437105 532491332 /nfs/dbraw/zinc/49/13/32/532491332.db2.gz HFPRYCILEBRGBV-CYBMUJFWSA-N 1 2 380.242 2.068 20 0 GEADLO Cc1cc(Br)oc1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629440708 532491779 /nfs/dbraw/zinc/49/17/79/532491779.db2.gz PJUMWKCXWAWZHN-AWEZNQCLSA-N 1 2 394.269 2.376 20 0 GEADLO Cc1cc(Br)oc1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629440708 532491787 /nfs/dbraw/zinc/49/17/87/532491787.db2.gz PJUMWKCXWAWZHN-AWEZNQCLSA-N 1 2 394.269 2.376 20 0 GEADLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cccc(Br)c1F ZINC000282753259 532492589 /nfs/dbraw/zinc/49/25/89/532492589.db2.gz WJRFZHDYHFGJFL-UHFFFAOYSA-N 1 2 376.251 2.496 20 0 GEADLO Ic1ccc(C[NH2+]Cc2ncc3c(n2)CCOC3)cc1 ZINC000593658068 532493371 /nfs/dbraw/zinc/49/33/71/532493371.db2.gz NHNBTQRHBNSFQG-UHFFFAOYSA-N 1 2 381.217 2.444 20 0 GEADLO O=S(=O)(c1cncc(Br)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469157674 532494251 /nfs/dbraw/zinc/49/42/51/532494251.db2.gz WKLZTFYCKUZSFL-ZDUSSCGKSA-N 1 2 384.255 2.081 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)Oc1ccccc1Br ZINC000469203429 532495583 /nfs/dbraw/zinc/49/55/83/532495583.db2.gz UDWMDVHLOJBMJB-KGLIPLIRSA-N 1 2 385.302 2.396 20 0 GEADLO Cc1n[nH]cc1CNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000519687049 532475438 /nfs/dbraw/zinc/47/54/38/532475438.db2.gz MBRVWTZLONXCNR-UHFFFAOYSA-N 1 2 395.261 2.034 20 0 GEADLO CCOC(=O)c1cnn(C2CC[NH+](Cc3nn(C)cc3Br)CC2)c1 ZINC000295793031 532475505 /nfs/dbraw/zinc/47/55/05/532475505.db2.gz ZROXRYIHEIAKKR-UHFFFAOYSA-N 1 2 396.289 2.393 20 0 GEADLO CC(C)(C)n1nnc(C[S@](=O)Cc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000593935590 532502640 /nfs/dbraw/zinc/50/26/40/532502640.db2.gz DTLRWPAKOLCGEY-HSZRJFAPSA-N 1 2 397.302 2.287 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000563396710 532504253 /nfs/dbraw/zinc/50/42/53/532504253.db2.gz BUQICSKLGSDNCH-NSHDSACASA-N 1 2 394.273 2.221 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000563396710 532504255 /nfs/dbraw/zinc/50/42/55/532504255.db2.gz BUQICSKLGSDNCH-NSHDSACASA-N 1 2 394.273 2.221 20 0 GEADLO C[N@H+](CC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)C1CCC1 ZINC000629987184 532505340 /nfs/dbraw/zinc/50/53/40/532505340.db2.gz JIIXHVYEQJFTPB-UHFFFAOYSA-N 1 2 378.416 2.209 20 0 GEADLO C[N@@H+](CC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)C1CCC1 ZINC000629987184 532505343 /nfs/dbraw/zinc/50/53/43/532505343.db2.gz JIIXHVYEQJFTPB-UHFFFAOYSA-N 1 2 378.416 2.209 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374467137 532505556 /nfs/dbraw/zinc/50/55/56/532505556.db2.gz AKFCLVANTWFICD-FZMZJTMJSA-N 1 2 382.873 2.094 20 0 GEADLO O=C(N[C@@H]1CC[S@@](=O)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000521164909 532507757 /nfs/dbraw/zinc/50/77/57/532507757.db2.gz VKTRVKYHIHPKDG-PUAOIOHZSA-N 1 2 380.901 2.269 20 0 GEADLO COC(=O)[C@]1(C)C[N@H+](Cc2nnnn2-c2ccccc2Br)C[C@H]1C ZINC000282939438 532508211 /nfs/dbraw/zinc/50/82/11/532508211.db2.gz YTPNYEHYGGKFEU-BDJLRTHQSA-N 1 2 394.273 2.056 20 0 GEADLO COC(=O)[C@]1(C)C[N@@H+](Cc2nnnn2-c2ccccc2Br)C[C@H]1C ZINC000282939438 532508218 /nfs/dbraw/zinc/50/82/18/532508218.db2.gz YTPNYEHYGGKFEU-BDJLRTHQSA-N 1 2 394.273 2.056 20 0 GEADLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CC(=O)NCc2ccc(Cl)s2)O1 ZINC000374570429 532510887 /nfs/dbraw/zinc/51/08/87/532510887.db2.gz CEEKJMWNYMQTEB-ASEORRQLSA-N 1 2 386.901 2.201 20 0 GEADLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CC(=O)NCc2ccc(Cl)s2)O1 ZINC000374570429 532510897 /nfs/dbraw/zinc/51/08/97/532510897.db2.gz CEEKJMWNYMQTEB-ASEORRQLSA-N 1 2 386.901 2.201 20 0 GEADLO O=C(NCc1cccs1)c1cc(NC(=O)[C@H]2COCC[NH2+]2)ccc1Cl ZINC000237757997 532511640 /nfs/dbraw/zinc/51/16/40/532511640.db2.gz WMBXWFPNLXBYEC-OAHLLOKOSA-N 1 2 379.869 2.258 20 0 GEADLO CC(C)(CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)S(C)(=O)=O ZINC000652407051 532512119 /nfs/dbraw/zinc/51/21/19/532512119.db2.gz GMHJMNAFHSMLFY-UHFFFAOYSA-N 1 2 384.889 2.148 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Cl)cc1F ZINC000374800792 532519259 /nfs/dbraw/zinc/51/92/59/532519259.db2.gz QANWRQYQTBJVRP-LSDHHAIUSA-N 1 2 376.881 2.007 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)NCc2c[nH+]ccc2OC)c1 ZINC000431575250 532517505 /nfs/dbraw/zinc/51/75/05/532517505.db2.gz BKIFNGYWKSSRSL-UHFFFAOYSA-N 1 2 387.255 2.340 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCn1cc(Br)ccc1=O ZINC000470001749 532518396 /nfs/dbraw/zinc/51/83/96/532518396.db2.gz YQAMYNOUSUVALA-UHFFFAOYSA-N 1 2 393.285 2.192 20 0 GEADLO O=C(COc1ccc(Br)cc1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374376378 532498190 /nfs/dbraw/zinc/49/81/90/532498190.db2.gz WIDMOOPWYHQKGM-MRXNPFEDSA-N 1 2 376.254 2.396 20 0 GEADLO Cc1ncsc1CNC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000563311047 532498251 /nfs/dbraw/zinc/49/82/51/532498251.db2.gz PMARHKSUTBSXIX-AWEZNQCLSA-N 1 2 380.901 2.140 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374391092 532500180 /nfs/dbraw/zinc/50/01/80/532500180.db2.gz QDYYXGFVXFNGLS-HNNXBMFYSA-N 1 2 391.269 2.343 20 0 GEADLO CCC[C@@H]1C[NH2+]CCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000564951292 532539688 /nfs/dbraw/zinc/53/96/88/532539688.db2.gz WABMMLYWGAKJSR-LLVKDONJSA-N 1 2 398.248 2.382 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2Br)s1 ZINC000526120167 532540307 /nfs/dbraw/zinc/54/03/07/532540307.db2.gz ZRKITBXRSIMLTB-UHFFFAOYSA-N 1 2 391.268 2.223 20 0 GEADLO O[C@@H](COC[C@@H]1CCCO1)C[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000653837017 532542806 /nfs/dbraw/zinc/54/28/06/532542806.db2.gz MGMSENKPEAMAFT-KGLIPLIRSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@@H](COC[C@@H]1CCCO1)C[N@H+]1CCOc2cccc(Br)c2C1 ZINC000653837017 532542817 /nfs/dbraw/zinc/54/28/17/532542817.db2.gz MGMSENKPEAMAFT-KGLIPLIRSA-N 1 2 386.286 2.200 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCCC[C@@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000246641311 532543167 /nfs/dbraw/zinc/54/31/67/532543167.db2.gz PNYIEOKEZOIXDE-IAGOWNOFSA-N 1 2 390.615 2.410 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCCC[C@@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000246641311 532543171 /nfs/dbraw/zinc/54/31/71/532543171.db2.gz PNYIEOKEZOIXDE-IAGOWNOFSA-N 1 2 390.615 2.410 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)NCC1(S(C)(=O)=O)CCC1)c1ccc(Cl)cc1 ZINC000283134278 532519571 /nfs/dbraw/zinc/51/95/71/532519571.db2.gz GVUWJPDTKPOGKI-HNNXBMFYSA-N 1 2 387.933 2.209 20 0 GEADLO Cc1csc2c1C[N@H+]([C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000374841815 532520261 /nfs/dbraw/zinc/52/02/61/532520261.db2.gz ZLYXLLHSCJHQGE-GFCCVEGCSA-N 1 2 379.507 2.089 20 0 GEADLO Cc1csc2c1C[N@@H+]([C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000374841815 532520270 /nfs/dbraw/zinc/52/02/70/532520270.db2.gz ZLYXLLHSCJHQGE-GFCCVEGCSA-N 1 2 379.507 2.089 20 0 GEADLO NC(=O)[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(Br)cc1F ZINC000245561895 532522088 /nfs/dbraw/zinc/52/20/88/532522088.db2.gz VEXCYLBPWHXHHV-BLLLJJGKSA-N 1 2 393.260 2.378 20 0 GEADLO O=C(N[C@H](c1nccs1)C(F)(F)F)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000296811910 532545023 /nfs/dbraw/zinc/54/50/23/532545023.db2.gz ICULYWYYQFBBST-VXGBXAGGSA-N 1 2 378.420 2.253 20 0 GEADLO c1csc(-c2noc(CCC[NH+]3CCN(Cc4cnns4)CC3)n2)c1 ZINC000296548561 532527205 /nfs/dbraw/zinc/52/72/05/532527205.db2.gz OKLBPUIDFLZHGG-UHFFFAOYSA-N 1 2 376.511 2.400 20 0 GEADLO Cn1c[nH+]cc1Cc1noc(CS(=O)(=O)c2cccc(Br)c2)n1 ZINC000564574688 532529605 /nfs/dbraw/zinc/52/96/05/532529605.db2.gz GSUSMMATHZQRSN-UHFFFAOYSA-N 1 2 397.254 2.130 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)c2cccc(I)c2)CCO1 ZINC000470463825 532530110 /nfs/dbraw/zinc/53/01/10/532530110.db2.gz NBQLQCJCZANLIC-AWEZNQCLSA-N 1 2 388.249 2.132 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)c2cccc(I)c2)CCO1 ZINC000470463825 532530112 /nfs/dbraw/zinc/53/01/12/532530112.db2.gz NBQLQCJCZANLIC-AWEZNQCLSA-N 1 2 388.249 2.132 20 0 GEADLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCCn2cc(Br)cn2)CC1(C)C ZINC000296588601 532530318 /nfs/dbraw/zinc/53/03/18/532530318.db2.gz KCQYLMDBVNMQGF-GFCCVEGCSA-N 1 2 381.278 2.172 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1c(F)ccc(C)c1Br ZINC000296603763 532530765 /nfs/dbraw/zinc/53/07/65/532530765.db2.gz VOZHLKSNOMBZML-UHFFFAOYSA-N 1 2 383.221 2.368 20 0 GEADLO C[N@@H+]1CCO[C@@H](C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)C1 ZINC000470475254 532530694 /nfs/dbraw/zinc/53/06/94/532530694.db2.gz HSPJMDWOPUNUAN-QGZVFWFLSA-N 1 2 397.313 2.287 20 0 GEADLO C[N@H+]1CCO[C@@H](C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)C1 ZINC000470475254 532530698 /nfs/dbraw/zinc/53/06/98/532530698.db2.gz HSPJMDWOPUNUAN-QGZVFWFLSA-N 1 2 397.313 2.287 20 0 GEADLO Cc1cc(CC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)n(C)n1 ZINC000564817286 532532601 /nfs/dbraw/zinc/53/26/01/532532601.db2.gz AVVQRDBNJZQMKC-UHFFFAOYSA-N 1 2 376.258 2.306 20 0 GEADLO Brc1ccc(-c2n[nH]cc2C[NH2+]Cc2nnc3n2CCOC3)s1 ZINC000527701786 532551980 /nfs/dbraw/zinc/55/19/80/532551980.db2.gz YBJVNFFPHUTOQF-UHFFFAOYSA-N 1 2 395.286 2.312 20 0 GEADLO Cc1cc(NC[C@H]2CCN(C(N)=O)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631276647 532553082 /nfs/dbraw/zinc/55/30/82/532553082.db2.gz RQUQSJOGGHMDMR-GFCCVEGCSA-N 1 2 390.285 2.449 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000248659890 532554614 /nfs/dbraw/zinc/55/46/14/532554614.db2.gz VLJPIVAYCGQKTD-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000248659890 532554621 /nfs/dbraw/zinc/55/46/21/532554621.db2.gz VLJPIVAYCGQKTD-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO Cn1cc(Br)c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)n1 ZINC000433193108 532556595 /nfs/dbraw/zinc/55/65/95/532556595.db2.gz ORXGLAIJAWCZSC-GFCCVEGCSA-N 1 2 381.274 2.418 20 0 GEADLO Cn1cc(Br)c(C[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)n1 ZINC000433193108 532556604 /nfs/dbraw/zinc/55/66/04/532556604.db2.gz ORXGLAIJAWCZSC-GFCCVEGCSA-N 1 2 381.274 2.418 20 0 GEADLO C[N@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)[C@H]1CCNC1=O ZINC000248889761 532557320 /nfs/dbraw/zinc/55/73/20/532557320.db2.gz FOFNVCWUWMACNO-ZFWWWQNUSA-N 1 2 383.286 2.327 20 0 GEADLO C[N@@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)[C@H]1CCNC1=O ZINC000248889761 532557325 /nfs/dbraw/zinc/55/73/25/532557325.db2.gz FOFNVCWUWMACNO-ZFWWWQNUSA-N 1 2 383.286 2.327 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000283812333 532558638 /nfs/dbraw/zinc/55/86/38/532558638.db2.gz JCARPIIOOMZNKO-LBPRGKRZSA-N 1 2 383.279 2.444 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000249069680 532559402 /nfs/dbraw/zinc/55/94/02/532559402.db2.gz QFBMMGTWTQCHDW-DZGCQCFKSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000249069680 532559409 /nfs/dbraw/zinc/55/94/09/532559409.db2.gz QFBMMGTWTQCHDW-DZGCQCFKSA-N 1 2 376.469 2.398 20 0 GEADLO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CC2N=NC(=O)S2)C1 ZINC000375471376 532559406 /nfs/dbraw/zinc/55/94/06/532559406.db2.gz SUXOWKAGFSIBDK-SECBINFHSA-N 1 2 398.286 2.252 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C(F)(F)F)n1 ZINC000297017636 532559915 /nfs/dbraw/zinc/55/99/15/532559915.db2.gz MKMGABNSLGAFOA-NSHDSACASA-N 1 2 380.436 2.465 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C(F)(F)F)n1 ZINC000297017636 532559920 /nfs/dbraw/zinc/55/99/20/532559920.db2.gz MKMGABNSLGAFOA-NSHDSACASA-N 1 2 380.436 2.465 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000283832853 532560953 /nfs/dbraw/zinc/56/09/53/532560953.db2.gz GYACOCFGBXENLN-RYUDHWBXSA-N 1 2 388.295 2.008 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)CCc2[nH]cc[nH+]2)c1 ZINC000297040432 532561413 /nfs/dbraw/zinc/56/14/13/532561413.db2.gz UVIFQFLZKMEZBM-CQSZACIVSA-N 1 2 382.258 2.305 20 0 GEADLO O=S(=O)(NCc1ccc(N2CCOCC2)[nH+]c1)c1cc(Cl)ccc1F ZINC000283893015 532563966 /nfs/dbraw/zinc/56/39/66/532563966.db2.gz OHKYKGKUXJOOAI-UHFFFAOYSA-N 1 2 385.848 2.189 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000433362451 532565363 /nfs/dbraw/zinc/56/53/63/532565363.db2.gz JVCDWNURAQKSKO-GFCCVEGCSA-N 1 2 381.325 2.476 20 0 GEADLO CN(Cc1nccs1)C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000283936095 532568244 /nfs/dbraw/zinc/56/82/44/532568244.db2.gz MGLOMDYBJVMNIL-AWEZNQCLSA-N 1 2 380.901 2.174 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H]2CNS(=O)(=O)c2sc(C)nc2C)cc1 ZINC000528503472 532568884 /nfs/dbraw/zinc/56/88/84/532568884.db2.gz SLJUQKHGESSPCC-OAHLLOKOSA-N 1 2 381.523 2.321 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H]2CNS(=O)(=O)c2sc(C)nc2C)cc1 ZINC000528503472 532568891 /nfs/dbraw/zinc/56/88/91/532568891.db2.gz SLJUQKHGESSPCC-OAHLLOKOSA-N 1 2 381.523 2.321 20 0 GEADLO COc1cc(C)c(S(=O)(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000432873694 532546535 /nfs/dbraw/zinc/54/65/35/532546535.db2.gz RVGCPMJHIPUQPW-OKILXGFUSA-N 1 2 390.933 2.435 20 0 GEADLO COc1cc(C)c(S(=O)(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000432873694 532546543 /nfs/dbraw/zinc/54/65/43/532546543.db2.gz RVGCPMJHIPUQPW-OKILXGFUSA-N 1 2 390.933 2.435 20 0 GEADLO COC(=O)c1cccc(Br)c1C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000432862504 532547517 /nfs/dbraw/zinc/54/75/17/532547517.db2.gz FJAKMIFOAALPGW-GFCCVEGCSA-N 1 2 396.285 2.272 20 0 GEADLO COC(=O)c1cccc(Br)c1C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000432862504 532547527 /nfs/dbraw/zinc/54/75/27/532547527.db2.gz FJAKMIFOAALPGW-GFCCVEGCSA-N 1 2 396.285 2.272 20 0 GEADLO CC(C)[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000432936570 532549057 /nfs/dbraw/zinc/54/90/57/532549057.db2.gz GXOIDQMMLGCYMA-AWEZNQCLSA-N 1 2 381.325 2.317 20 0 GEADLO Cc1cc(N2CC[C@@H](CO)[C@H](O)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631242956 532549280 /nfs/dbraw/zinc/54/92/80/532549280.db2.gz XVYSFDSZDDAWAY-DZGCQCFKSA-N 1 2 378.270 2.394 20 0 GEADLO O=C(Nc1cc(Cl)c(Br)cc1F)N1CC[NH+](CCO)CC1 ZINC000529171531 532595517 /nfs/dbraw/zinc/59/55/17/532595517.db2.gz GBIPYBMXAYHANI-UHFFFAOYSA-N 1 2 380.645 2.383 20 0 GEADLO CN(CCc1ccc(Br)cc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433940594 532584898 /nfs/dbraw/zinc/58/48/98/532584898.db2.gz KMEBADUSWVRVEO-UHFFFAOYSA-N 1 2 396.329 2.498 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@H]21 ZINC000284320231 532585315 /nfs/dbraw/zinc/58/53/15/532585315.db2.gz BCQXIDDPJPFSEP-HUUCEWRRSA-N 1 2 383.279 2.115 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@H]21 ZINC000284320231 532585319 /nfs/dbraw/zinc/58/53/19/532585319.db2.gz BCQXIDDPJPFSEP-HUUCEWRRSA-N 1 2 383.279 2.115 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000284305096 532586545 /nfs/dbraw/zinc/58/65/45/532586545.db2.gz JCJDFHJYRQMJTI-NSHDSACASA-N 1 2 384.395 2.486 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000284305096 532586547 /nfs/dbraw/zinc/58/65/47/532586547.db2.gz JCJDFHJYRQMJTI-NSHDSACASA-N 1 2 384.395 2.486 20 0 GEADLO CCS(=O)(=O)C[C@H](C)NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000297392392 532587502 /nfs/dbraw/zinc/58/75/02/532587502.db2.gz WNKZYHWAWZCDST-XJKSGUPXSA-N 1 2 387.571 2.134 20 0 GEADLO CN(C)c1cc(NC(=O)NCc2nnc(C3CC3)o2)[nH+]cc1Br ZINC000565994123 532587847 /nfs/dbraw/zinc/58/78/47/532587847.db2.gz LCKHKLXXUDFUEO-UHFFFAOYSA-N 1 2 381.234 2.492 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000375975006 532588190 /nfs/dbraw/zinc/58/81/90/532588190.db2.gz PUHQACYEHDPWNC-UHFFFAOYSA-N 1 2 377.247 2.418 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000375975006 532588193 /nfs/dbraw/zinc/58/81/93/532588193.db2.gz PUHQACYEHDPWNC-UHFFFAOYSA-N 1 2 377.247 2.418 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000250095266 532570415 /nfs/dbraw/zinc/57/04/15/532570415.db2.gz QOYDUNIIZMEHBS-KGLIPLIRSA-N 1 2 397.313 2.183 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000250095266 532570422 /nfs/dbraw/zinc/57/04/22/532570422.db2.gz QOYDUNIIZMEHBS-KGLIPLIRSA-N 1 2 397.313 2.183 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 ZINC000528534051 532571101 /nfs/dbraw/zinc/57/11/01/532571101.db2.gz DMBCQUHNVKOYCU-UHFFFAOYSA-N 1 2 381.523 2.172 20 0 GEADLO CO[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1Br ZINC000654838487 532571863 /nfs/dbraw/zinc/57/18/63/532571863.db2.gz REZZZDMRCLIKTE-RHSMWYFYSA-N 1 2 397.313 2.460 20 0 GEADLO Cc1[nH+]ccc(NS(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c1Br ZINC000565705500 532572590 /nfs/dbraw/zinc/57/25/90/532572590.db2.gz PAXLHTMHYSRCPM-SECBINFHSA-N 1 2 385.287 2.469 20 0 GEADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1csc(Br)c1)[NH+]1CCN(C)CC1 ZINC000528567259 532574359 /nfs/dbraw/zinc/57/43/59/532574359.db2.gz SWNALHMBQGTWHF-KWCYVHTRSA-N 1 2 386.359 2.366 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c(Br)c1 ZINC000595823389 532574932 /nfs/dbraw/zinc/57/49/32/532574932.db2.gz KDVQDPYAPFUQDZ-CQSZACIVSA-N 1 2 398.301 2.423 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c(Br)c1 ZINC000595823389 532574939 /nfs/dbraw/zinc/57/49/39/532574939.db2.gz KDVQDPYAPFUQDZ-CQSZACIVSA-N 1 2 398.301 2.423 20 0 GEADLO CNC(=O)NC[C@@H]1C[N@H+](CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000528626218 532575837 /nfs/dbraw/zinc/57/58/37/532575837.db2.gz DLSVBFJVISKTSQ-OAHLLOKOSA-N 1 2 398.301 2.042 20 0 GEADLO CNC(=O)NC[C@@H]1C[N@@H+](CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000528626218 532575842 /nfs/dbraw/zinc/57/58/42/532575842.db2.gz DLSVBFJVISKTSQ-OAHLLOKOSA-N 1 2 398.301 2.042 20 0 GEADLO O=S(=O)(C1CC1)N1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000528614671 532576219 /nfs/dbraw/zinc/57/62/19/532576219.db2.gz FANFDLICPUNFOU-UHFFFAOYSA-N 1 2 378.416 2.238 20 0 GEADLO COCCc1noc(CC2CC[NH+](Cc3nn(C)cc3Br)CC2)n1 ZINC000528616976 532576751 /nfs/dbraw/zinc/57/67/51/532576751.db2.gz DFTNNRMQSQDPDP-UHFFFAOYSA-N 1 2 398.305 2.209 20 0 GEADLO C[C@H]1C[NH+](CCCCNS(=O)(=O)c2onc(C3CC3)c2Cl)C[C@H](C)O1 ZINC000632099952 532577014 /nfs/dbraw/zinc/57/70/14/532577014.db2.gz RPXWQMDWTIYNAS-RYUDHWBXSA-N 1 2 391.921 2.373 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000632099779 532577590 /nfs/dbraw/zinc/57/75/90/532577590.db2.gz OBNRYYUUXZVPRR-LLVKDONJSA-N 1 2 379.309 2.233 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000632099779 532577596 /nfs/dbraw/zinc/57/75/96/532577596.db2.gz OBNRYYUUXZVPRR-LLVKDONJSA-N 1 2 379.309 2.233 20 0 GEADLO O=C(Cc1ccccc1I)NCCNc1cccc[nH+]1 ZINC000433828648 532579157 /nfs/dbraw/zinc/57/91/57/532579157.db2.gz NSAUEQDWFWEOQV-UHFFFAOYSA-N 1 2 381.217 2.457 20 0 GEADLO COc1cc(Br)c(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000433817240 532579371 /nfs/dbraw/zinc/57/93/71/532579371.db2.gz DPYRGSUWZRQGAM-VIFPVBQESA-N 1 2 397.722 2.436 20 0 GEADLO COc1cc(Br)c(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000433817240 532579378 /nfs/dbraw/zinc/57/93/78/532579378.db2.gz DPYRGSUWZRQGAM-VIFPVBQESA-N 1 2 397.722 2.436 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2nc3ccccc3s2)CC[N@@H+]1CCOC ZINC000565830385 532579682 /nfs/dbraw/zinc/57/96/82/532579682.db2.gz CUTUWDNFJPWLOG-AWEZNQCLSA-N 1 2 383.539 2.418 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2nc3ccccc3s2)CC[N@H+]1CCOC ZINC000565830385 532579693 /nfs/dbraw/zinc/57/96/93/532579693.db2.gz CUTUWDNFJPWLOG-AWEZNQCLSA-N 1 2 383.539 2.418 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c1Cl ZINC000262003943 532580919 /nfs/dbraw/zinc/58/09/19/532580919.db2.gz LNVLXDLEMZJHDW-GFCCVEGCSA-N 1 2 389.308 2.371 20 0 GEADLO CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000565868309 532581308 /nfs/dbraw/zinc/58/13/08/532581308.db2.gz YSRZZTWNZROLOZ-UHFFFAOYSA-N 1 2 383.265 2.412 20 0 GEADLO CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000565868309 532581316 /nfs/dbraw/zinc/58/13/16/532581316.db2.gz YSRZZTWNZROLOZ-UHFFFAOYSA-N 1 2 383.265 2.412 20 0 GEADLO O=C(NC[C@H](O)[C@H]1CCCO1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000529774583 532614288 /nfs/dbraw/zinc/61/42/88/532614288.db2.gz XWGYODQOSOLCOB-GVDBMIGSSA-N 1 2 397.313 2.242 20 0 GEADLO CN1CCC[C@@H]([NH2+]Cc2ncc(Br)cc2Br)C1=O ZINC000474357977 532614424 /nfs/dbraw/zinc/61/44/24/532614424.db2.gz VWSPZYFDTKXHGY-SNVBAGLBSA-N 1 2 377.080 2.317 20 0 GEADLO COc1cc(Br)cc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000284736825 532614874 /nfs/dbraw/zinc/61/48/74/532614874.db2.gz IPGKVOPJHRKGHR-LSDHHAIUSA-N 1 2 384.274 2.395 20 0 GEADLO COc1cc(Br)cc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000284736825 532614876 /nfs/dbraw/zinc/61/48/76/532614876.db2.gz IPGKVOPJHRKGHR-LSDHHAIUSA-N 1 2 384.274 2.395 20 0 GEADLO COc1cc(Br)cc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000284736822 532615621 /nfs/dbraw/zinc/61/56/21/532615621.db2.gz IPGKVOPJHRKGHR-HUUCEWRRSA-N 1 2 384.274 2.395 20 0 GEADLO COc1cc(Br)cc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000284736822 532615627 /nfs/dbraw/zinc/61/56/27/532615627.db2.gz IPGKVOPJHRKGHR-HUUCEWRRSA-N 1 2 384.274 2.395 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)Cc1cc(Cl)ccc1F ZINC000632500659 532615878 /nfs/dbraw/zinc/61/58/78/532615878.db2.gz APJZDTJCDNMMNZ-JKSUJKDBSA-N 1 2 390.908 2.398 20 0 GEADLO C[N@H+](CC1=CCCOC1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000656479928 532621063 /nfs/dbraw/zinc/62/10/63/532621063.db2.gz WLIFVUGGPBPPDL-HNNXBMFYSA-N 1 2 379.254 2.360 20 0 GEADLO C[N@@H+](CC1=CCCOC1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000656479928 532621072 /nfs/dbraw/zinc/62/10/72/532621072.db2.gz WLIFVUGGPBPPDL-HNNXBMFYSA-N 1 2 379.254 2.360 20 0 GEADLO FC(F)(F)Cn1cc[nH+]c1CSCc1nnnn1CC1CCOCC1 ZINC000434630593 532598717 /nfs/dbraw/zinc/59/87/17/532598717.db2.gz LYNWLCKNRNBISS-UHFFFAOYSA-N 1 2 376.408 2.292 20 0 GEADLO O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000566199494 532600355 /nfs/dbraw/zinc/60/03/55/532600355.db2.gz ZTSMYKCTFNVERG-GFCCVEGCSA-N 1 2 380.495 2.272 20 0 GEADLO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000262773468 532601479 /nfs/dbraw/zinc/60/14/79/532601479.db2.gz KGCUOPQUAPYRTN-QWHCGFSZSA-N 1 2 379.507 2.371 20 0 GEADLO O=S(=O)(C[C@@H]1CCCCC1(F)F)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000566660230 532621662 /nfs/dbraw/zinc/62/16/62/532621662.db2.gz IBEQPQJLIVDXGV-ARFHVFGLSA-N 1 2 380.501 2.375 20 0 GEADLO O=S(=O)(NCCC[NH2+]Cc1cccnc1)c1c(F)c(F)cc(F)c1F ZINC000566301640 532603383 /nfs/dbraw/zinc/60/33/83/532603383.db2.gz ZESYNUMUKVISIE-UHFFFAOYSA-N 1 2 377.363 2.096 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000473948199 532603854 /nfs/dbraw/zinc/60/38/54/532603854.db2.gz FCWMVYNRRXQEOK-UHFFFAOYSA-N 1 2 391.269 2.308 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)NCC1(S(C)(=O)=O)CCC1)c1ccsc1 ZINC000474029880 532604959 /nfs/dbraw/zinc/60/49/59/532604959.db2.gz GESMJVYQSLZEEX-OAHLLOKOSA-N 1 2 387.571 2.398 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)cc1Cl ZINC000632355345 532605623 /nfs/dbraw/zinc/60/56/23/532605623.db2.gz FDISXQHOCIJSLZ-UHFFFAOYSA-N 1 2 376.931 2.015 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ncc(Br)cc2F)CC1 ZINC000529532604 532606265 /nfs/dbraw/zinc/60/62/65/532606265.db2.gz RJTGLOYEEVKARP-ZDUSSCGKSA-N 1 2 399.308 2.112 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000632385096 532607636 /nfs/dbraw/zinc/60/76/36/532607636.db2.gz ZZDQYOMQSYPRQU-AWEZNQCLSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000632384237 532608128 /nfs/dbraw/zinc/60/81/28/532608128.db2.gz AIAWGBNRRLEKJK-OAHLLOKOSA-N 1 2 376.881 2.106 20 0 GEADLO CCOc1cc(C[N@H+](CCOC)CC(=O)N(C)C)cc(Br)c1O ZINC000297789411 532608756 /nfs/dbraw/zinc/60/87/56/532608756.db2.gz NBOUHZVNGPLOLP-UHFFFAOYSA-N 1 2 389.290 2.090 20 0 GEADLO CCOc1cc(C[N@@H+](CCOC)CC(=O)N(C)C)cc(Br)c1O ZINC000297789411 532608770 /nfs/dbraw/zinc/60/87/70/532608770.db2.gz NBOUHZVNGPLOLP-UHFFFAOYSA-N 1 2 389.290 2.090 20 0 GEADLO Cc1cccc(S(=O)(=O)NCC[NH+]2CCSCC2)c1Br ZINC000435219378 532610396 /nfs/dbraw/zinc/61/03/96/532610396.db2.gz ZPJOKCUMFOZRAQ-UHFFFAOYSA-N 1 2 379.345 2.085 20 0 GEADLO CON1CCC(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)CC1 ZINC000632439621 532611508 /nfs/dbraw/zinc/61/15/08/532611508.db2.gz CODCAGPTIPNVNJ-UHFFFAOYSA-N 1 2 395.301 2.337 20 0 GEADLO Cc1cc(Cl)c(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000435251777 532612058 /nfs/dbraw/zinc/61/20/58/532612058.db2.gz JOCJLUOSNJTTTE-GFCCVEGCSA-N 1 2 388.295 2.419 20 0 GEADLO C[N@@H+](Cc1c(F)ccc(I)c1F)C[C@@H]1COCCO1 ZINC000597206274 532613054 /nfs/dbraw/zinc/61/30/54/532613054.db2.gz NVFGCQRHRBUFFZ-SECBINFHSA-N 1 2 383.176 2.417 20 0 GEADLO C[N@H+](Cc1c(F)ccc(I)c1F)C[C@@H]1COCCO1 ZINC000597206274 532613062 /nfs/dbraw/zinc/61/30/62/532613062.db2.gz NVFGCQRHRBUFFZ-SECBINFHSA-N 1 2 383.176 2.417 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000474341871 532613535 /nfs/dbraw/zinc/61/35/35/532613535.db2.gz MFIZVCLFRULPAZ-BXUZGUMPSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000474341871 532613541 /nfs/dbraw/zinc/61/35/41/532613541.db2.gz MFIZVCLFRULPAZ-BXUZGUMPSA-N 1 2 376.284 2.047 20 0 GEADLO Clc1cc(CN2CC[N@@H+]3CCOC[C@H]3C2)ccc1I ZINC000436093705 532625328 /nfs/dbraw/zinc/62/53/28/532625328.db2.gz OYLPIIRFSIXTEX-GFCCVEGCSA-N 1 2 392.668 2.461 20 0 GEADLO Clc1cc(CN2CC[N@H+]3CCOC[C@H]3C2)ccc1I ZINC000436093705 532625333 /nfs/dbraw/zinc/62/53/33/532625333.db2.gz OYLPIIRFSIXTEX-GFCCVEGCSA-N 1 2 392.668 2.461 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000376741827 532627188 /nfs/dbraw/zinc/62/71/88/532627188.db2.gz JTPVLBHAUDMZPS-HNNXBMFYSA-N 1 2 385.873 2.206 20 0 GEADLO COC(=O)c1sc2ccccc2c1C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000298126140 532628608 /nfs/dbraw/zinc/62/86/08/532628608.db2.gz KQXXBVAEQYDAKG-LBPRGKRZSA-N 1 2 382.507 2.154 20 0 GEADLO COC(=O)c1sc2ccccc2c1C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000298126140 532628612 /nfs/dbraw/zinc/62/86/12/532628612.db2.gz KQXXBVAEQYDAKG-LBPRGKRZSA-N 1 2 382.507 2.154 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@](C)(O)COC)CC1 ZINC000530781388 532629168 /nfs/dbraw/zinc/62/91/68/532629168.db2.gz JRNHDCKUEYGSHO-WMZOPIPTSA-N 1 2 399.329 2.442 20 0 GEADLO COC(=O)[C@H]1C[C@H](OC)CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000376822301 532631544 /nfs/dbraw/zinc/63/15/44/532631544.db2.gz IJPXWGWPNZXJBU-ZIAGYGMSSA-N 1 2 382.258 2.249 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000376833117 532631912 /nfs/dbraw/zinc/63/19/12/532631912.db2.gz PZIRAJZEWPYMOI-SNVBAGLBSA-N 1 2 399.257 2.174 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000376833117 532631918 /nfs/dbraw/zinc/63/19/18/532631918.db2.gz PZIRAJZEWPYMOI-SNVBAGLBSA-N 1 2 399.257 2.174 20 0 GEADLO O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000436885103 532646195 /nfs/dbraw/zinc/64/61/95/532646195.db2.gz IAVKUUDVBVMZEZ-ZDUSSCGKSA-N 1 2 389.279 2.262 20 0 GEADLO Cc1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)cc1S(C)(=O)=O ZINC000436430215 532633463 /nfs/dbraw/zinc/63/34/63/532633463.db2.gz ILJKJOSHKZWMOV-UHFFFAOYSA-N 1 2 378.523 2.354 20 0 GEADLO Cc1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)cc1S(C)(=O)=O ZINC000436430215 532633467 /nfs/dbraw/zinc/63/34/67/532633467.db2.gz ILJKJOSHKZWMOV-UHFFFAOYSA-N 1 2 378.523 2.354 20 0 GEADLO CC(C)(CNC(=O)Nc1cnc2c(Br)cccn12)[NH+]1CCOCC1 ZINC000436497863 532635583 /nfs/dbraw/zinc/63/55/83/532635583.db2.gz MSJWJWQZWUMVFO-UHFFFAOYSA-N 1 2 396.289 2.329 20 0 GEADLO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000436555896 532636975 /nfs/dbraw/zinc/63/69/75/532636975.db2.gz QCYNFOIZDQCJSI-UHFFFAOYSA-N 1 2 388.295 2.372 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000567065158 532638390 /nfs/dbraw/zinc/63/83/90/532638390.db2.gz REJGNIJUCNVRLO-OKILXGFUSA-N 1 2 390.933 2.468 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000567065158 532638393 /nfs/dbraw/zinc/63/83/93/532638393.db2.gz REJGNIJUCNVRLO-OKILXGFUSA-N 1 2 390.933 2.468 20 0 GEADLO CC(=O)Nc1ncc(S(=O)(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)s1 ZINC000567093164 532640492 /nfs/dbraw/zinc/64/04/92/532640492.db2.gz OAMWVQBOCHVMAJ-UHFFFAOYSA-N 1 2 386.543 2.058 20 0 GEADLO CC(=O)Nc1ncc(S(=O)(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)s1 ZINC000567093164 532640493 /nfs/dbraw/zinc/64/04/93/532640493.db2.gz OAMWVQBOCHVMAJ-UHFFFAOYSA-N 1 2 386.543 2.058 20 0 GEADLO COC(=O)C(C)(C)CC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000285030756 532641201 /nfs/dbraw/zinc/64/12/01/532641201.db2.gz HOBJGWABJYREIA-LBPRGKRZSA-N 1 2 375.238 2.294 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000531911722 532641230 /nfs/dbraw/zinc/64/12/30/532641230.db2.gz ZAWPPQCKYMWOHI-HZPDHXFCSA-N 1 2 388.917 2.270 20 0 GEADLO COc1cc([C@@H](C)[NH2+]Cc2n[nH]cc2Br)ccc1S(C)(=O)=O ZINC000531969399 532642127 /nfs/dbraw/zinc/64/21/27/532642127.db2.gz SYUCNWKHTFWEDY-SECBINFHSA-N 1 2 388.287 2.435 20 0 GEADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CC3(Cl)Cl)CC2)C1 ZINC000377126062 532644303 /nfs/dbraw/zinc/64/43/03/532644303.db2.gz FJPDBYJABCRVQO-STQMWFEESA-N 1 2 392.327 2.334 20 0 GEADLO O=C(COc1ccc(Br)cn1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000632794623 532644787 /nfs/dbraw/zinc/64/47/87/532644787.db2.gz OFQQMAPFBGUJOA-CQSZACIVSA-N 1 2 378.226 2.298 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000298551494 532659818 /nfs/dbraw/zinc/65/98/18/532659818.db2.gz YFDAXHIBKKNTGK-UHFFFAOYSA-N 1 2 394.273 2.494 20 0 GEADLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298547313 532659909 /nfs/dbraw/zinc/65/99/09/532659909.db2.gz DNGSHKDOFDOYBS-CYBMUJFWSA-N 1 2 390.908 2.194 20 0 GEADLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298547313 532659915 /nfs/dbraw/zinc/65/99/15/532659915.db2.gz DNGSHKDOFDOYBS-CYBMUJFWSA-N 1 2 390.908 2.194 20 0 GEADLO Cc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)ccc1Br ZINC000478927652 532662536 /nfs/dbraw/zinc/66/25/36/532662536.db2.gz OEJBPLNCMGGXRY-INIZCTEOSA-N 1 2 397.313 2.321 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1Cl ZINC000285304945 532669243 /nfs/dbraw/zinc/66/92/43/532669243.db2.gz QMYIJSYATJTBTP-GJZGRUSLSA-N 1 2 386.279 2.172 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1Cl ZINC000285304945 532669251 /nfs/dbraw/zinc/66/92/51/532669251.db2.gz QMYIJSYATJTBTP-GJZGRUSLSA-N 1 2 386.279 2.172 20 0 GEADLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CCS1 ZINC000264169458 532664223 /nfs/dbraw/zinc/66/42/23/532664223.db2.gz YOPGLYZALMNVCF-CQSZACIVSA-N 1 2 379.551 2.251 20 0 GEADLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CCS1 ZINC000264169458 532664228 /nfs/dbraw/zinc/66/42/28/532664228.db2.gz YOPGLYZALMNVCF-CQSZACIVSA-N 1 2 379.551 2.251 20 0 GEADLO NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)c2ccc(Cl)s2)CC1 ZINC000264196373 532666723 /nfs/dbraw/zinc/66/67/23/532666723.db2.gz GWKHEYSYVWNWSP-UHFFFAOYSA-N 1 2 378.885 2.428 20 0 GEADLO C[C@@H](NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H](C)[NH+]1CCOCC1 ZINC000264288834 532668272 /nfs/dbraw/zinc/66/82/72/532668272.db2.gz QSWDJACMNYUKKM-NEPJUHHUSA-N 1 2 385.295 2.409 20 0 GEADLO O=C(NCc1nc(C[NH+]2CCCCC2)no1)c1c(F)cncc1Br ZINC000632875499 532647759 /nfs/dbraw/zinc/64/77/59/532647759.db2.gz DQYPYUWKZDFRML-UHFFFAOYSA-N 1 2 398.236 2.282 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000377280647 532648356 /nfs/dbraw/zinc/64/83/56/532648356.db2.gz MNNJILIJFWXNML-VXGBXAGGSA-N 1 2 386.279 2.254 20 0 GEADLO Cc1nc(N2CCN(S(=O)(=O)CCc3ccccc3Cl)CC2)cc[nH+]1 ZINC000656958555 532650661 /nfs/dbraw/zinc/65/06/61/532650661.db2.gz JJPAMPRGCUABPE-UHFFFAOYSA-N 1 2 380.901 2.133 20 0 GEADLO Cc1[nH+]c2n(c1CN1CCN(S(=O)(=O)c3cccs3)CC1)CCCC2 ZINC000377317649 532651448 /nfs/dbraw/zinc/65/14/48/532651448.db2.gz REBPYBBGCVWLAD-UHFFFAOYSA-N 1 2 380.539 2.096 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000477681877 532653779 /nfs/dbraw/zinc/65/37/79/532653779.db2.gz WZJUOOMCOFGKJB-GFCCVEGCSA-N 1 2 394.324 2.336 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000477681877 532653787 /nfs/dbraw/zinc/65/37/87/532653787.db2.gz WZJUOOMCOFGKJB-GFCCVEGCSA-N 1 2 394.324 2.336 20 0 GEADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@H]1CC[S@@](=O)C1 ZINC000532400601 532653684 /nfs/dbraw/zinc/65/36/84/532653684.db2.gz LCKFXASSLYJZNA-UUTKNXGPSA-N 1 2 387.908 2.436 20 0 GEADLO Cc1cc(SCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)c(C)cc1Br ZINC000437325666 532656355 /nfs/dbraw/zinc/65/63/55/532656355.db2.gz RPZXTZSQCGEPCD-CQSZACIVSA-N 1 2 398.370 2.274 20 0 GEADLO COc1cc(S(=O)(=O)N(C)Cc2c[nH+]c[nH]2)c(OC)cc1Br ZINC000567521316 532657067 /nfs/dbraw/zinc/65/70/67/532657067.db2.gz ZFXNYPCBQFLXDO-UHFFFAOYSA-N 1 2 390.259 2.010 20 0 GEADLO COc1cc(S(=O)(=O)N(C)Cc2c[nH]c[nH+]2)c(OC)cc1Br ZINC000567521316 532657073 /nfs/dbraw/zinc/65/70/73/532657073.db2.gz ZFXNYPCBQFLXDO-UHFFFAOYSA-N 1 2 390.259 2.010 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)Cc1cc(F)ccc1Cl)C(C)(C)CO ZINC000657001632 532657281 /nfs/dbraw/zinc/65/72/81/532657281.db2.gz UXKRILWDDLFODV-CQSZACIVSA-N 1 2 389.880 2.392 20 0 GEADLO CCOc1ccc(OC[C@@H](O)C[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000567696748 532658713 /nfs/dbraw/zinc/65/87/13/532658713.db2.gz HCUDREWSHPGHLR-LBPRGKRZSA-N 1 2 384.274 2.111 20 0 GEADLO Cc1nc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)sc1Br ZINC000657034726 532659134 /nfs/dbraw/zinc/65/91/34/532659134.db2.gz NQYZYOPKHRMPQH-SECBINFHSA-N 1 2 382.349 2.365 20 0 GEADLO Cc1nc(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)sc1Br ZINC000657034726 532659140 /nfs/dbraw/zinc/65/91/40/532659140.db2.gz NQYZYOPKHRMPQH-SECBINFHSA-N 1 2 382.349 2.365 20 0 GEADLO COc1c(Br)cccc1C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000481939145 532669640 /nfs/dbraw/zinc/66/96/40/532669640.db2.gz UZDIZBQFGKFJLF-ZDUSSCGKSA-N 1 2 391.331 2.361 20 0 GEADLO COc1c(Br)cccc1C[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000481939145 532669651 /nfs/dbraw/zinc/66/96/51/532669651.db2.gz UZDIZBQFGKFJLF-ZDUSSCGKSA-N 1 2 391.331 2.361 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000377761287 532669741 /nfs/dbraw/zinc/66/97/41/532669741.db2.gz OTBGQWQXLYXLMV-LBPRGKRZSA-N 1 2 385.873 2.155 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCCc1cc(Br)ccc1F ZINC000264313404 532670943 /nfs/dbraw/zinc/67/09/43/532670943.db2.gz RAQQMNACFRQIEL-UHFFFAOYSA-N 1 2 388.281 2.104 20 0 GEADLO CNC(=O)c1cccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1Br ZINC000377817530 532671373 /nfs/dbraw/zinc/67/13/73/532671373.db2.gz UUVVATNAVJBFBN-SECBINFHSA-N 1 2 392.257 2.211 20 0 GEADLO CNC(=O)c1cccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1Br ZINC000377817530 532671375 /nfs/dbraw/zinc/67/13/75/532671375.db2.gz UUVVATNAVJBFBN-SECBINFHSA-N 1 2 392.257 2.211 20 0 GEADLO Brc1cccc2c1OCC[C@H]2[NH2+]Cc1nnnn1C1CCOCC1 ZINC000568124499 532672016 /nfs/dbraw/zinc/67/20/16/532672016.db2.gz VPOMEMOTRXUKPL-CQSZACIVSA-N 1 2 394.273 2.401 20 0 GEADLO COc1c(N)[nH+]cnc1NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000568244221 532673393 /nfs/dbraw/zinc/67/33/93/532673393.db2.gz FNRYAQFFYYFLOL-UHFFFAOYSA-N 1 2 393.285 2.990 20 0 GEADLO COc1c(N)nc[nH+]c1NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000568244221 532673410 /nfs/dbraw/zinc/67/34/10/532673410.db2.gz FNRYAQFFYYFLOL-UHFFFAOYSA-N 1 2 393.285 2.990 20 0 GEADLO CC(C)(C)OC(=O)CNC(=O)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000483232252 532674392 /nfs/dbraw/zinc/67/43/92/532674392.db2.gz SDGKPSYWUAHWCO-GFCCVEGCSA-N 1 2 377.268 2.074 20 0 GEADLO Cc1nnc([C@@H]2CC[N@H+](CC(=O)c3c[nH]c4ncc(Br)cc34)C2)[nH]1 ZINC000660807562 532675922 /nfs/dbraw/zinc/67/59/22/532675922.db2.gz JUUHCVLLLJLYDU-SNVBAGLBSA-N 1 2 389.257 2.424 20 0 GEADLO Cc1nnc([C@@H]2CC[N@@H+](CC(=O)c3c[nH]c4ncc(Br)cc34)C2)[nH]1 ZINC000660807562 532675929 /nfs/dbraw/zinc/67/59/29/532675929.db2.gz JUUHCVLLLJLYDU-SNVBAGLBSA-N 1 2 389.257 2.424 20 0 GEADLO Cc1n[nH]c([C@@H]2CC[N@H+](CC(=O)c3c[nH]c4ncc(Br)cc34)C2)n1 ZINC000660807562 532675933 /nfs/dbraw/zinc/67/59/33/532675933.db2.gz JUUHCVLLLJLYDU-SNVBAGLBSA-N 1 2 389.257 2.424 20 0 GEADLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC(=O)c3c[nH]c4ncc(Br)cc34)C2)n1 ZINC000660807562 532675938 /nfs/dbraw/zinc/67/59/38/532675938.db2.gz JUUHCVLLLJLYDU-SNVBAGLBSA-N 1 2 389.257 2.424 20 0 GEADLO Cc1nc([C@@H]2CC[N@H+](CC(=O)c3c[nH]c4ncc(Br)cc34)C2)n[nH]1 ZINC000660807562 532675943 /nfs/dbraw/zinc/67/59/43/532675943.db2.gz JUUHCVLLLJLYDU-SNVBAGLBSA-N 1 2 389.257 2.424 20 0 GEADLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)c3c[nH]c4ncc(Br)cc34)C2)n[nH]1 ZINC000660807562 532675949 /nfs/dbraw/zinc/67/59/49/532675949.db2.gz JUUHCVLLLJLYDU-SNVBAGLBSA-N 1 2 389.257 2.424 20 0 GEADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000378053689 532677793 /nfs/dbraw/zinc/67/77/93/532677793.db2.gz JMVZADLRFUGTSO-GFCCVEGCSA-N 1 2 393.289 2.273 20 0 GEADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000378053689 532677795 /nfs/dbraw/zinc/67/77/95/532677795.db2.gz JMVZADLRFUGTSO-GFCCVEGCSA-N 1 2 393.289 2.273 20 0 GEADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000264638349 532677990 /nfs/dbraw/zinc/67/79/90/532677990.db2.gz ULYMHXLUHDKHEV-FZMZJTMJSA-N 1 2 378.416 2.246 20 0 GEADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000264638349 532677991 /nfs/dbraw/zinc/67/79/91/532677991.db2.gz ULYMHXLUHDKHEV-FZMZJTMJSA-N 1 2 378.416 2.246 20 0 GEADLO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378065676 532679120 /nfs/dbraw/zinc/67/91/20/532679120.db2.gz BMMLEDHSCRGKMI-IUODEOHRSA-N 1 2 379.258 2.062 20 0 GEADLO O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378065676 532679123 /nfs/dbraw/zinc/67/91/23/532679123.db2.gz BMMLEDHSCRGKMI-IUODEOHRSA-N 1 2 379.258 2.062 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000438942888 532680334 /nfs/dbraw/zinc/68/03/34/532680334.db2.gz SMWOHHOVZVCQEB-CYBMUJFWSA-N 1 2 380.853 2.432 20 0 GEADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000568588532 532681733 /nfs/dbraw/zinc/68/17/33/532681733.db2.gz QSSMMELLVSLEDM-GDBMZVCRSA-N 1 2 384.567 2.483 20 0 GEADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000568588532 532681739 /nfs/dbraw/zinc/68/17/39/532681739.db2.gz QSSMMELLVSLEDM-GDBMZVCRSA-N 1 2 384.567 2.483 20 0 GEADLO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)s1 ZINC000535458999 532681879 /nfs/dbraw/zinc/68/18/79/532681879.db2.gz JAPHTPKXXSNDCO-IRXDYDNUSA-N 1 2 380.535 2.218 20 0 GEADLO Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)s1 ZINC000535458999 532681886 /nfs/dbraw/zinc/68/18/86/532681886.db2.gz JAPHTPKXXSNDCO-IRXDYDNUSA-N 1 2 380.535 2.218 20 0 GEADLO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000486584474 532691479 /nfs/dbraw/zinc/69/14/79/532691479.db2.gz VLABUBQLNIZYRG-SMDDNHRTSA-N 1 2 380.495 2.080 20 0 GEADLO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000486584474 532691482 /nfs/dbraw/zinc/69/14/82/532691482.db2.gz VLABUBQLNIZYRG-SMDDNHRTSA-N 1 2 380.495 2.080 20 0 GEADLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439445873 532693837 /nfs/dbraw/zinc/69/38/37/532693837.db2.gz YPBZIGMTNAFCLO-GFCCVEGCSA-N 1 2 378.238 2.259 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000285618115 532694536 /nfs/dbraw/zinc/69/45/36/532694536.db2.gz ZFPUEIGPIZUZPR-UHFFFAOYSA-N 1 2 384.889 2.151 20 0 GEADLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)Nc1nnc([C@H]2CCCO2)s1 ZINC000640738621 532696040 /nfs/dbraw/zinc/69/60/40/532696040.db2.gz BSJYVUFMOKBJOS-LLVKDONJSA-N 1 2 378.845 3.012 20 0 GEADLO O=C(Cn1cc[nH+]c1)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC000666042211 532696102 /nfs/dbraw/zinc/69/61/02/532696102.db2.gz CVKIXOPOVCHXET-UHFFFAOYSA-N 1 2 383.221 2.260 20 0 GEADLO COCC[N@H+](C)Cc1cn(CC(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000640759543 532696831 /nfs/dbraw/zinc/69/68/31/532696831.db2.gz VKVFQEOXMMSIHU-UHFFFAOYSA-N 1 2 396.289 2.066 20 0 GEADLO COCC[N@@H+](C)Cc1cn(CC(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000640759543 532696834 /nfs/dbraw/zinc/69/68/34/532696834.db2.gz VKVFQEOXMMSIHU-UHFFFAOYSA-N 1 2 396.289 2.066 20 0 GEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cc(C)c(Br)s1 ZINC000536675175 532697367 /nfs/dbraw/zinc/69/73/67/532697367.db2.gz CACJILCRYAHUEN-UHFFFAOYSA-N 1 2 391.331 2.126 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000439562254 532697389 /nfs/dbraw/zinc/69/73/89/532697389.db2.gz RCLJOIXKZBWMKR-UHFFFAOYSA-N 1 2 375.803 2.007 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000265919563 532699332 /nfs/dbraw/zinc/69/93/32/532699332.db2.gz CWOMCPYBHMGROC-CQSZACIVSA-N 1 2 395.345 2.026 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000265919563 532699337 /nfs/dbraw/zinc/69/93/37/532699337.db2.gz CWOMCPYBHMGROC-CQSZACIVSA-N 1 2 395.345 2.026 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)COc1cccc(Br)c1 ZINC000285696687 532699335 /nfs/dbraw/zinc/69/93/35/532699335.db2.gz HFMDSIHKJGNTMK-DZGCQCFKSA-N 1 2 383.286 2.150 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1cc(Br)ccc1F ZINC000285694580 532699762 /nfs/dbraw/zinc/69/97/62/532699762.db2.gz HEOOYQJXUMXDIZ-DOMZBBRYSA-N 1 2 385.277 2.452 20 0 GEADLO OC[C@@H]1CC[N@H+](Cc2ccc(I)c(Cl)c2)C[C@@H]1O ZINC000569646561 532700686 /nfs/dbraw/zinc/70/06/86/532700686.db2.gz ATKWTEOKIVJOOG-GWCFXTLKSA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@@H]1CC[N@@H+](Cc2ccc(I)c(Cl)c2)C[C@@H]1O ZINC000569646561 532700690 /nfs/dbraw/zinc/70/06/90/532700690.db2.gz ATKWTEOKIVJOOG-GWCFXTLKSA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@H]1CC[N@H+](Cc2ccc(I)c(Cl)c2)C[C@H]1O ZINC000569646564 532701211 /nfs/dbraw/zinc/70/12/11/532701211.db2.gz ATKWTEOKIVJOOG-ZWNOBZJWSA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@H]1CC[N@@H+](Cc2ccc(I)c(Cl)c2)C[C@H]1O ZINC000569646564 532701217 /nfs/dbraw/zinc/70/12/17/532701217.db2.gz ATKWTEOKIVJOOG-ZWNOBZJWSA-N 1 2 381.641 2.120 20 0 GEADLO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1Br ZINC000382545590 532701296 /nfs/dbraw/zinc/70/12/96/532701296.db2.gz DWKLLDPBUVZFNZ-CQSZACIVSA-N 1 2 383.286 2.395 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)CC1 ZINC000439751635 532701575 /nfs/dbraw/zinc/70/15/75/532701575.db2.gz NOXFSUBEKFZJIT-UHFFFAOYSA-N 1 2 392.656 2.344 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488718280 532701623 /nfs/dbraw/zinc/70/16/23/532701623.db2.gz MLPODPVBGDELDT-VHSXEESVSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000488718280 532701628 /nfs/dbraw/zinc/70/16/28/532701628.db2.gz MLPODPVBGDELDT-VHSXEESVSA-N 1 2 375.252 2.421 20 0 GEADLO CN([C@@H](CO)c1cccc(Cl)c1Cl)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641609371 532702185 /nfs/dbraw/zinc/70/21/85/532702185.db2.gz UJEVEKNOKJVXJU-ZDUSSCGKSA-N 1 2 378.281 2.185 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000666694151 532702222 /nfs/dbraw/zinc/70/22/22/532702222.db2.gz JKZXCMSUSZMJGU-CQSZACIVSA-N 1 2 391.269 2.456 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000666694151 532702224 /nfs/dbraw/zinc/70/22/24/532702224.db2.gz JKZXCMSUSZMJGU-CQSZACIVSA-N 1 2 391.269 2.456 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000285734715 532702519 /nfs/dbraw/zinc/70/25/19/532702519.db2.gz KLRYDHFNOIKQCU-NSHDSACASA-N 1 2 377.242 2.262 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(F)cc2Br)[C@H](C)CO1 ZINC000663783355 532687928 /nfs/dbraw/zinc/68/79/28/532687928.db2.gz IKUUDRIFIRZDLG-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(F)cc2Br)[C@H](C)CO1 ZINC000663783355 532687932 /nfs/dbraw/zinc/68/79/32/532687932.db2.gz IKUUDRIFIRZDLG-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO Cn1nccc1C1=CC[N@H+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000285539931 532688942 /nfs/dbraw/zinc/68/89/42/532688942.db2.gz IAGDKNOCHRLHTE-UHFFFAOYSA-N 1 2 376.258 2.305 20 0 GEADLO Cn1nccc1C1=CC[N@@H+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000285539931 532688946 /nfs/dbraw/zinc/68/89/46/532688946.db2.gz IAGDKNOCHRLHTE-UHFFFAOYSA-N 1 2 376.258 2.305 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000285532607 532689206 /nfs/dbraw/zinc/68/92/06/532689206.db2.gz SNGLYWODFUWXLY-ZDUSSCGKSA-N 1 2 387.933 2.237 20 0 GEADLO CS(=O)(=O)N(CC(F)(F)F)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000569164154 532690535 /nfs/dbraw/zinc/69/05/35/532690535.db2.gz XMLNACQDIRRCEV-UHFFFAOYSA-N 1 2 376.404 2.356 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265264682 532690622 /nfs/dbraw/zinc/69/06/22/532690622.db2.gz WAUHKPWOLJOSDC-WDEREUQCSA-N 1 2 394.324 2.321 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265264682 532690629 /nfs/dbraw/zinc/69/06/29/532690629.db2.gz WAUHKPWOLJOSDC-WDEREUQCSA-N 1 2 394.324 2.321 20 0 GEADLO C[C@@H]1CC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CS1(=O)=O ZINC000664368179 532690634 /nfs/dbraw/zinc/69/06/34/532690634.db2.gz FZGRBBORGSULNP-OLZOCXBDSA-N 1 2 386.543 2.216 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000536132687 532690805 /nfs/dbraw/zinc/69/08/05/532690805.db2.gz YNGBJNOQLYJOTC-VXGBXAGGSA-N 1 2 382.507 2.401 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000536132687 532690810 /nfs/dbraw/zinc/69/08/10/532690810.db2.gz YNGBJNOQLYJOTC-VXGBXAGGSA-N 1 2 382.507 2.401 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285765588 532704957 /nfs/dbraw/zinc/70/49/57/532704957.db2.gz XOPNXVSQZHUPEG-UONOGXRCSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285765588 532704962 /nfs/dbraw/zinc/70/49/62/532704962.db2.gz XOPNXVSQZHUPEG-UONOGXRCSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1Cl ZINC000440067554 532705613 /nfs/dbraw/zinc/70/56/13/532705613.db2.gz FSJQTZLUDBLSRE-MNOVXSKESA-N 1 2 381.325 2.377 20 0 GEADLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1Cl ZINC000440067554 532705617 /nfs/dbraw/zinc/70/56/17/532705617.db2.gz FSJQTZLUDBLSRE-MNOVXSKESA-N 1 2 381.325 2.377 20 0 GEADLO O=C(CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)Nc1ccc(Br)cc1 ZINC000666891403 532706031 /nfs/dbraw/zinc/70/60/31/532706031.db2.gz PBIMWWIHRKAGLE-NSHDSACASA-N 1 2 391.269 2.422 20 0 GEADLO O=C(CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)Nc1ccc(Br)cc1 ZINC000666891403 532706035 /nfs/dbraw/zinc/70/60/35/532706035.db2.gz PBIMWWIHRKAGLE-NSHDSACASA-N 1 2 391.269 2.422 20 0 GEADLO COC(=O)c1ccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)nc1 ZINC000492208636 532712320 /nfs/dbraw/zinc/71/23/20/532712320.db2.gz PGZYBNPOJYCXSU-UHFFFAOYSA-N 1 2 389.209 2.208 20 0 GEADLO CC(C)(C)C(=O)NCCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000492193962 532713178 /nfs/dbraw/zinc/71/31/78/532713178.db2.gz GHJOPPPEVXTIRN-UHFFFAOYSA-N 1 2 381.274 2.265 20 0 GEADLO O=C1NCC[C@]12CCC[N@H+]2Cc1nc(-c2cccc(Br)c2)no1 ZINC000574582233 532715523 /nfs/dbraw/zinc/71/55/23/532715523.db2.gz VFBJWOFMUPYPNU-MRXNPFEDSA-N 1 2 377.242 2.354 20 0 GEADLO O=C1NCC[C@]12CCC[N@@H+]2Cc1nc(-c2cccc(Br)c2)no1 ZINC000574582233 532715526 /nfs/dbraw/zinc/71/55/26/532715526.db2.gz VFBJWOFMUPYPNU-MRXNPFEDSA-N 1 2 377.242 2.354 20 0 GEADLO [NH3+][C@@H](C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1cscn1 ZINC000645271050 532716276 /nfs/dbraw/zinc/71/62/76/532716276.db2.gz ATJVCAOVMJGSCN-CQSZACIVSA-N 1 2 375.479 2.228 20 0 GEADLO CS(=O)(=O)c1nnc(C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)s1 ZINC000285895696 532717838 /nfs/dbraw/zinc/71/78/38/532717838.db2.gz CMFHNTUWDSKZLE-QWHCGFSZSA-N 1 2 389.449 2.310 20 0 GEADLO COC(=O)[C@@H]1CC[C@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000286173434 532732860 /nfs/dbraw/zinc/73/28/60/532732860.db2.gz UIPBRLASCKMMFV-CHWSQXEVSA-N 1 2 380.242 2.221 20 0 GEADLO COc1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)ccc1Br ZINC000538851846 532722930 /nfs/dbraw/zinc/72/29/30/532722930.db2.gz FMRJBIFZGADAQJ-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1Br ZINC000538851846 532722934 /nfs/dbraw/zinc/72/29/34/532722934.db2.gz FMRJBIFZGADAQJ-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO O=C(CN1CCCCCC1=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000497400213 532723619 /nfs/dbraw/zinc/72/36/19/532723619.db2.gz GXKJIQDAIGYRID-UHFFFAOYSA-N 1 2 379.258 2.116 20 0 GEADLO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2cc(C)c(C)s2)nc[nH+]1 ZINC000539114439 532724365 /nfs/dbraw/zinc/72/43/65/532724365.db2.gz JTKJCJRPQWUGOA-CYBMUJFWSA-N 1 2 381.527 2.144 20 0 GEADLO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2cc(C)c(C)s2)[nH+]cn1 ZINC000539114439 532724372 /nfs/dbraw/zinc/72/43/72/532724372.db2.gz JTKJCJRPQWUGOA-CYBMUJFWSA-N 1 2 381.527 2.144 20 0 GEADLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[S@@](=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539162846 532724876 /nfs/dbraw/zinc/72/48/76/532724876.db2.gz MLRGCFWAAPIHSP-DDMWKEJJSA-N 1 2 387.908 2.435 20 0 GEADLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[S@@](=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539162846 532724881 /nfs/dbraw/zinc/72/48/81/532724881.db2.gz MLRGCFWAAPIHSP-DDMWKEJJSA-N 1 2 387.908 2.435 20 0 GEADLO C[C@@H]1Cc2cc(S(=O)(=O)NCc3[nH+]ccn3CC(F)(F)F)ccc2O1 ZINC000539173963 532725332 /nfs/dbraw/zinc/72/53/32/532725332.db2.gz YOZNDFNKEBQPNR-SNVBAGLBSA-N 1 2 375.372 2.247 20 0 GEADLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000576190175 532726024 /nfs/dbraw/zinc/72/60/24/532726024.db2.gz RDBPRTKJEYMPAU-UHFFFAOYSA-N 1 2 384.395 2.187 20 0 GEADLO CC1(C)CCC[C@H]1NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000498540708 532726464 /nfs/dbraw/zinc/72/64/64/532726464.db2.gz ORAUTUXBMCRLED-CYBMUJFWSA-N 1 2 393.285 2.408 20 0 GEADLO CC1(C)CCC[C@@H]1NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000498540712 532726490 /nfs/dbraw/zinc/72/64/90/532726490.db2.gz ORAUTUXBMCRLED-ZDUSSCGKSA-N 1 2 393.285 2.408 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)c2sccc2S(N)(=O)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000613108726 532726969 /nfs/dbraw/zinc/72/69/69/532726969.db2.gz VNZDRCWAONIWTC-JSGCOSHPSA-N 1 2 399.925 2.224 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2sccc2S(N)(=O)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000613108726 532726973 /nfs/dbraw/zinc/72/69/73/532726973.db2.gz VNZDRCWAONIWTC-JSGCOSHPSA-N 1 2 399.925 2.224 20 0 GEADLO O=C(NCc1sccc1Br)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000286074200 532727456 /nfs/dbraw/zinc/72/74/56/532727456.db2.gz YLMCJTJSHNYJKJ-JTQLQIEISA-N 1 2 397.298 2.256 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCc3cc(Br)cc(F)c3C2)C1 ZINC000577078504 532731397 /nfs/dbraw/zinc/73/13/97/532731397.db2.gz GEPPMPWDZFEGHF-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCc3cc(Br)cc(F)c3C2)C1 ZINC000577078504 532731402 /nfs/dbraw/zinc/73/14/02/532731402.db2.gz GEPPMPWDZFEGHF-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000577066596 532732397 /nfs/dbraw/zinc/73/23/97/532732397.db2.gz YCIISSGAJTXBGT-ZDUSSCGKSA-N 1 2 381.885 2.209 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000645647233 532719096 /nfs/dbraw/zinc/71/90/96/532719096.db2.gz DHKDCRDCLUDUEA-UHFFFAOYSA-N 1 2 397.298 2.195 20 0 GEADLO COc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)sc1Br ZINC000285905533 532719239 /nfs/dbraw/zinc/71/92/39/532719239.db2.gz SDIRSJYNGFBXEU-GHMZBOCLSA-N 1 2 389.315 2.454 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)CC1 ZINC000410910533 532743170 /nfs/dbraw/zinc/74/31/70/532743170.db2.gz AUYDMZKHHPCVDG-HNNXBMFYSA-N 1 2 398.276 2.026 20 0 GEADLO O=C(Cc1noc2ccc(Br)cc12)N[C@H]1CCn2cc[nH+]c2C1 ZINC000579705581 532743476 /nfs/dbraw/zinc/74/34/76/532743476.db2.gz PZKUPMQDHOYWGI-NSHDSACASA-N 1 2 375.226 2.461 20 0 GEADLO O=C(C[NH+]1CCN(c2cncc(Br)c2)CC1)N1CCCCCC1 ZINC000301168444 532743644 /nfs/dbraw/zinc/74/36/44/532743644.db2.gz FOVAMIRQYITXFR-UHFFFAOYSA-N 1 2 381.318 2.369 20 0 GEADLO CN1C(=O)CC[C@@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000502886484 532743995 /nfs/dbraw/zinc/74/39/95/532743995.db2.gz GVTJLLFFMOVANA-MRXNPFEDSA-N 1 2 384.307 2.301 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC000443324879 532745751 /nfs/dbraw/zinc/74/57/51/532745751.db2.gz YWNVAOOXYGFKNF-GFCCVEGCSA-N 1 2 381.325 2.379 20 0 GEADLO C[C@H]([C@H](C)NC(=O)Cc1c(F)ccc(Br)c1F)[NH+]1CCOCC1 ZINC000503353746 532747125 /nfs/dbraw/zinc/74/71/25/532747125.db2.gz JOJREYQIOZVZII-WDEREUQCSA-N 1 2 391.256 2.495 20 0 GEADLO COCC[N@H+](Cc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000267611595 532747420 /nfs/dbraw/zinc/74/74/20/532747420.db2.gz HWBHGXFOZWIOBO-OAHLLOKOSA-N 1 2 386.539 2.096 20 0 GEADLO COCC[N@@H+](Cc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000267611595 532747425 /nfs/dbraw/zinc/74/74/25/532747425.db2.gz HWBHGXFOZWIOBO-OAHLLOKOSA-N 1 2 386.539 2.096 20 0 GEADLO C[C@H]1CC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC12CCC2 ZINC000540043363 532734730 /nfs/dbraw/zinc/73/47/30/532734730.db2.gz ZEYZNDSGSWUYON-LBPRGKRZSA-N 1 2 385.917 2.438 20 0 GEADLO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC12CCC2 ZINC000540043363 532734734 /nfs/dbraw/zinc/73/47/34/532734734.db2.gz ZEYZNDSGSWUYON-LBPRGKRZSA-N 1 2 385.917 2.438 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000267171353 532736864 /nfs/dbraw/zinc/73/68/64/532736864.db2.gz URZJPACMRZAPQE-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000267171353 532736870 /nfs/dbraw/zinc/73/68/70/532736870.db2.gz URZJPACMRZAPQE-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000501162738 532737820 /nfs/dbraw/zinc/73/78/20/532737820.db2.gz KFBLQVWBLNJKQK-UHFFFAOYSA-N 1 2 382.507 2.403 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000501162738 532737826 /nfs/dbraw/zinc/73/78/26/532737826.db2.gz KFBLQVWBLNJKQK-UHFFFAOYSA-N 1 2 382.507 2.403 20 0 GEADLO Cc1cnc(N)c(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000501160591 532738214 /nfs/dbraw/zinc/73/82/14/532738214.db2.gz CIVUKCSCICWSIT-HOCLYGCPSA-N 1 2 380.901 2.349 20 0 GEADLO Cc1cnc(N)c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000501160591 532738217 /nfs/dbraw/zinc/73/82/17/532738217.db2.gz CIVUKCSCICWSIT-HOCLYGCPSA-N 1 2 380.901 2.349 20 0 GEADLO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614506661 532738903 /nfs/dbraw/zinc/73/89/03/532738903.db2.gz HTBYTZPOZQXNRU-CQSZACIVSA-N 1 2 378.929 2.388 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1)N1CCOCC1 ZINC000501153194 532738904 /nfs/dbraw/zinc/73/89/04/532738904.db2.gz SUPMDEPCMDCTQY-CQSZACIVSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1)N1CCOCC1 ZINC000501153194 532738910 /nfs/dbraw/zinc/73/89/10/532738910.db2.gz SUPMDEPCMDCTQY-CQSZACIVSA-N 1 2 376.881 2.106 20 0 GEADLO O=C(CCc1nc2cc(Cl)ccc2s1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614506661 532738912 /nfs/dbraw/zinc/73/89/12/532738912.db2.gz HTBYTZPOZQXNRU-CQSZACIVSA-N 1 2 378.929 2.388 20 0 GEADLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ncc(Br)cn3)CC2)C1 ZINC000301086330 532741059 /nfs/dbraw/zinc/74/10/59/532741059.db2.gz LTJAMFOXERMDHB-DZGCQCFKSA-N 1 2 396.333 2.056 20 0 GEADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC000301158228 532741610 /nfs/dbraw/zinc/74/16/10/532741610.db2.gz SCZWKNXYQPUSSI-NSHDSACASA-N 1 2 386.930 2.327 20 0 GEADLO CC(=O)N(c1nc(C[NH2+]C[C@H](C)S(C)(=O)=O)cs1)c1ccc(F)cc1 ZINC000540627137 532741821 /nfs/dbraw/zinc/74/18/21/532741821.db2.gz FFAWYLABGFBGPL-NSHDSACASA-N 1 2 385.486 2.490 20 0 GEADLO CN(Cc1cccc(Br)c1Cl)C[C@H](O)C[NH+]1CCOCC1 ZINC000411303518 532754270 /nfs/dbraw/zinc/75/42/70/532754270.db2.gz AGWZSKDGJULDRW-ZDUSSCGKSA-N 1 2 377.710 2.227 20 0 GEADLO OCCN(CC[NH+]1CCOCC1)Cc1cccc(Br)c1Cl ZINC000411303804 532754772 /nfs/dbraw/zinc/75/47/72/532754772.db2.gz HGWZBWKQEUDTEG-UHFFFAOYSA-N 1 2 377.710 2.229 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCc1cn(-c2ccccc2)nn1 ZINC000301576495 532755096 /nfs/dbraw/zinc/75/50/96/532755096.db2.gz QTTFARFUGUGEMO-UHFFFAOYSA-N 1 2 385.229 2.319 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)c(F)c1 ZINC000507154984 532756189 /nfs/dbraw/zinc/75/61/89/532756189.db2.gz MJDYWPJVVXUXEO-LBPRGKRZSA-N 1 2 379.295 2.492 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)c(F)c1 ZINC000507154984 532756193 /nfs/dbraw/zinc/75/61/93/532756193.db2.gz MJDYWPJVVXUXEO-LBPRGKRZSA-N 1 2 379.295 2.492 20 0 GEADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cs1 ZINC000541642092 532757265 /nfs/dbraw/zinc/75/72/65/532757265.db2.gz BHJUUEJUIBMETH-KBPBESRZSA-N 1 2 387.571 2.028 20 0 GEADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cs1 ZINC000541642093 532757378 /nfs/dbraw/zinc/75/73/78/532757378.db2.gz BHJUUEJUIBMETH-KGLIPLIRSA-N 1 2 387.571 2.028 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc(F)c1Br ZINC000411375027 532759195 /nfs/dbraw/zinc/75/91/95/532759195.db2.gz FNMLCPJHHVRNDZ-SNVBAGLBSA-N 1 2 395.232 2.163 20 0 GEADLO COCCOC[C@@H](C)NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000541841804 532759274 /nfs/dbraw/zinc/75/92/74/532759274.db2.gz DRVXQYIXWAXOOX-GFCCVEGCSA-N 1 2 399.289 2.256 20 0 GEADLO Cc1noc(CNC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000541837125 532759484 /nfs/dbraw/zinc/75/94/84/532759484.db2.gz BWFKHORFYIJDIY-UHFFFAOYSA-N 1 2 393.245 2.139 20 0 GEADLO COc1ccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c(Br)c1 ZINC000582812216 532761378 /nfs/dbraw/zinc/76/13/78/532761378.db2.gz AZEWBUOPOBKLHC-UHFFFAOYSA-N 1 2 396.329 2.198 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CCO)c1ccccc1Br ZINC000541944453 532762507 /nfs/dbraw/zinc/76/25/07/532762507.db2.gz YSVXUHPUVQVJKE-IUODEOHRSA-N 1 2 381.274 2.457 20 0 GEADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000580517358 532749479 /nfs/dbraw/zinc/74/94/79/532749479.db2.gz DOOGYUSHZDVQDD-NOZJJQNGSA-N 1 2 379.873 2.058 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504666571 532749761 /nfs/dbraw/zinc/74/97/61/532749761.db2.gz WBSUWEKOTONVRW-CYBMUJFWSA-N 1 2 390.311 2.218 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504666571 532749765 /nfs/dbraw/zinc/74/97/65/532749765.db2.gz WBSUWEKOTONVRW-CYBMUJFWSA-N 1 2 390.311 2.218 20 0 GEADLO Cc1c(C[N@H+](C)CC(=O)Nc2ccc(I)cc2)cnn1C ZINC000580519584 532749752 /nfs/dbraw/zinc/74/97/52/532749752.db2.gz IJAGMKUREJCHFH-UHFFFAOYSA-N 1 2 398.248 2.404 20 0 GEADLO Cc1c(C[N@@H+](C)CC(=O)Nc2ccc(I)cc2)cnn1C ZINC000580519584 532749755 /nfs/dbraw/zinc/74/97/55/532749755.db2.gz IJAGMKUREJCHFH-UHFFFAOYSA-N 1 2 398.248 2.404 20 0 GEADLO CCc1ccc(C[NH+]2CCN(c3cnn(C)c(=O)c3Br)CC2)s1 ZINC000301388498 532750101 /nfs/dbraw/zinc/75/01/01/532750101.db2.gz XLOSYCHOFZERKV-UHFFFAOYSA-N 1 2 397.342 2.489 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC[C@@H](C)C(C)C)[nH+]c12 ZINC000505863048 532750839 /nfs/dbraw/zinc/75/08/39/532750839.db2.gz RSQFBPSCKXXPTB-GFCCVEGCSA-N 1 2 395.301 2.430 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)[C@@H](C)C[NH2+]1 ZINC000505850722 532751319 /nfs/dbraw/zinc/75/13/19/532751319.db2.gz IMOCOOCJSWCAKF-OLZOCXBDSA-N 1 2 379.507 2.371 20 0 GEADLO C[S@@](=O)Cc1cccc(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)c1 ZINC000267855031 532751414 /nfs/dbraw/zinc/75/14/14/532751414.db2.gz DHGKJJJRECPRMT-RUZDIDTESA-N 1 2 379.551 2.204 20 0 GEADLO COC(=O)C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)CCO1 ZINC000267843367 532751709 /nfs/dbraw/zinc/75/17/09/532751709.db2.gz VBDDELFOCADJCD-GFCCVEGCSA-N 1 2 385.258 2.042 20 0 GEADLO COC(=O)C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)CCO1 ZINC000267843367 532751715 /nfs/dbraw/zinc/75/17/15/532751715.db2.gz VBDDELFOCADJCD-GFCCVEGCSA-N 1 2 385.258 2.042 20 0 GEADLO Cc1noc(CN2CC[NH+](CCOc3cc(F)cc(Br)c3)CC2)n1 ZINC000445807869 532753173 /nfs/dbraw/zinc/75/31/73/532753173.db2.gz NSXAHRJNJLHEKZ-UHFFFAOYSA-N 1 2 399.264 2.476 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445786631 532754033 /nfs/dbraw/zinc/75/40/33/532754033.db2.gz WCBGVLLZPJASEC-AWEZNQCLSA-N 1 2 380.279 2.476 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445786631 532754035 /nfs/dbraw/zinc/75/40/35/532754035.db2.gz WCBGVLLZPJASEC-AWEZNQCLSA-N 1 2 380.279 2.476 20 0 GEADLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286921313 532774830 /nfs/dbraw/zinc/77/48/30/532774830.db2.gz PDEYZRMOSLPMDK-UHFFFAOYSA-N 1 2 386.758 2.454 20 0 GEADLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000302910116 532775556 /nfs/dbraw/zinc/77/55/56/532775556.db2.gz KOWDIKNFLBKRLN-UHFFFAOYSA-N 1 2 386.823 2.312 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000512249106 532776743 /nfs/dbraw/zinc/77/67/43/532776743.db2.gz LACZKGFRCQVUHL-VIFPVBQESA-N 1 2 391.280 2.296 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000512249106 532776749 /nfs/dbraw/zinc/77/67/49/532776749.db2.gz LACZKGFRCQVUHL-VIFPVBQESA-N 1 2 391.280 2.296 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000512278835 532777846 /nfs/dbraw/zinc/77/78/46/532777846.db2.gz KYEYAQYWNMQWPW-LLVKDONJSA-N 1 2 397.722 2.234 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CCOc1ccc(Cl)cc1Br ZINC000512278835 532777850 /nfs/dbraw/zinc/77/78/50/532777850.db2.gz KYEYAQYWNMQWPW-LLVKDONJSA-N 1 2 397.722 2.234 20 0 GEADLO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3CS(N)(=O)=O)cs2)cc1 ZINC000512272931 532777930 /nfs/dbraw/zinc/77/79/30/532777930.db2.gz WJJPICRMUNOSGY-HNNXBMFYSA-N 1 2 381.523 2.462 20 0 GEADLO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H]3CS(N)(=O)=O)cs2)cc1 ZINC000512272931 532777933 /nfs/dbraw/zinc/77/79/33/532777933.db2.gz WJJPICRMUNOSGY-HNNXBMFYSA-N 1 2 381.523 2.462 20 0 GEADLO COc1cc(C)c(Br)cc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000512925530 532778692 /nfs/dbraw/zinc/77/86/92/532778692.db2.gz IXKRETNMMJNVNJ-CYBMUJFWSA-N 1 2 383.286 2.359 20 0 GEADLO COc1cc(C)c(Br)cc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000512925530 532778694 /nfs/dbraw/zinc/77/86/94/532778694.db2.gz IXKRETNMMJNVNJ-CYBMUJFWSA-N 1 2 383.286 2.359 20 0 GEADLO CC(C)(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[NH+]1CCOCC1 ZINC000513790442 532779533 /nfs/dbraw/zinc/77/95/33/532779533.db2.gz YEEFULULRKXTOB-HNNXBMFYSA-N 1 2 396.329 2.255 20 0 GEADLO CCOc1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cc1Br ZINC000542057336 532763618 /nfs/dbraw/zinc/76/36/18/532763618.db2.gz VGWAFRIUJKOWBI-UHFFFAOYSA-N 1 2 386.271 2.290 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000542078757 532764546 /nfs/dbraw/zinc/76/45/46/532764546.db2.gz BRDMFPZVOOEOJR-CQSZACIVSA-N 1 2 398.345 2.142 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2ccccc2Br)C1=O ZINC000542157247 532765247 /nfs/dbraw/zinc/76/52/47/532765247.db2.gz OOJSAYHOXNKDGF-CQSZACIVSA-N 1 2 391.269 2.104 20 0 GEADLO CC[C@H]([NH2+]Cc1nc(N)nc(N(C)C)n1)c1cc(F)cc(Br)c1 ZINC000411565112 532767266 /nfs/dbraw/zinc/76/72/66/532767266.db2.gz VBJHALCZFYPPQC-LBPRGKRZSA-N 1 2 383.269 2.662 20 0 GEADLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)[nH]1 ZINC000268496994 532767343 /nfs/dbraw/zinc/76/73/43/532767343.db2.gz RIQHTOPVYPNSTG-LLVKDONJSA-N 1 2 379.262 2.089 20 0 GEADLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)[nH]1 ZINC000268496994 532767346 /nfs/dbraw/zinc/76/73/46/532767346.db2.gz RIQHTOPVYPNSTG-LLVKDONJSA-N 1 2 379.262 2.089 20 0 GEADLO CCOc1c(Cl)cc(NC(=O)C(=O)NCCc2cn(C)c[nH+]2)cc1Cl ZINC000411592613 532768785 /nfs/dbraw/zinc/76/87/85/532768785.db2.gz DHEUFWIGWFJGCA-UHFFFAOYSA-N 1 2 385.251 2.423 20 0 GEADLO Brc1cnn(Cc2cnc(NC[C@@H]3C[N@@H+](C4CC4)CCO3)s2)c1 ZINC000302441870 532769613 /nfs/dbraw/zinc/76/96/13/532769613.db2.gz NFZIGTKLPVDENV-CYBMUJFWSA-N 1 2 398.330 2.426 20 0 GEADLO Brc1cnn(Cc2cnc(NC[C@@H]3C[N@H+](C4CC4)CCO3)s2)c1 ZINC000302441870 532769614 /nfs/dbraw/zinc/76/96/14/532769614.db2.gz NFZIGTKLPVDENV-CYBMUJFWSA-N 1 2 398.330 2.426 20 0 GEADLO C[C@@H]1CN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC[N@@H+]1CCO ZINC000302346146 532769657 /nfs/dbraw/zinc/76/96/57/532769657.db2.gz AWGSNXRJLPMGDX-GFCCVEGCSA-N 1 2 383.279 2.042 20 0 GEADLO C[C@@H]1CN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC[N@H+]1CCO ZINC000302346146 532769659 /nfs/dbraw/zinc/76/96/59/532769659.db2.gz AWGSNXRJLPMGDX-GFCCVEGCSA-N 1 2 383.279 2.042 20 0 GEADLO C[C@@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)[C@@H](C)C[N@@H+]1C ZINC000509434561 532770040 /nfs/dbraw/zinc/77/00/40/532770040.db2.gz FEEDXWGUPMDFSY-OLZOCXBDSA-N 1 2 375.332 2.247 20 0 GEADLO C[C@@H]1CN(CCS(=O)(=O)c2ccc(Br)cc2)[C@@H](C)C[N@H+]1C ZINC000509434561 532770045 /nfs/dbraw/zinc/77/00/45/532770045.db2.gz FEEDXWGUPMDFSY-OLZOCXBDSA-N 1 2 375.332 2.247 20 0 GEADLO CN1CCN(c2cc(NCc3ccc(Br)s3)[nH+]cn2)CC1=O ZINC000302358469 532770135 /nfs/dbraw/zinc/77/01/35/532770135.db2.gz ZKBPYZLTNKPXLL-UHFFFAOYSA-N 1 2 382.287 2.191 20 0 GEADLO CN1CCN(c2cc(NCc3ccc(Br)s3)nc[nH+]2)CC1=O ZINC000302358469 532770141 /nfs/dbraw/zinc/77/01/41/532770141.db2.gz ZKBPYZLTNKPXLL-UHFFFAOYSA-N 1 2 382.287 2.191 20 0 GEADLO Cn1ncc2c1nc(NC[C@@H](O)COc1cccc(Cl)c1Cl)[nH+]c2N ZINC000302538209 532771202 /nfs/dbraw/zinc/77/12/02/532771202.db2.gz HAFVWWAEFKVSAT-MRVPVSSYSA-N 1 2 383.239 2.104 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCc3cc[nH]n3)[nH+]c12 ZINC000542771152 532779995 /nfs/dbraw/zinc/77/99/95/532779995.db2.gz YKRZPTRDNSPIAC-UHFFFAOYSA-N 1 2 377.246 2.170 20 0 GEADLO CC[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(Cl)s1 ZINC000286860950 532773225 /nfs/dbraw/zinc/77/32/25/532773225.db2.gz BJBJIJNZVYPGOQ-GFCCVEGCSA-N 1 2 387.933 2.196 20 0 GEADLO CC[C@@H](NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(Cl)s1 ZINC000286860950 532773229 /nfs/dbraw/zinc/77/32/29/532773229.db2.gz BJBJIJNZVYPGOQ-GFCCVEGCSA-N 1 2 387.933 2.196 20 0 GEADLO Cc1csc([C@](O)(CC(=O)N(C)CCCn2cc[nH+]c2)C(F)(F)F)n1 ZINC000268967486 532773693 /nfs/dbraw/zinc/77/36/93/532773693.db2.gz BJRGWJMUKUVZKI-CQSZACIVSA-N 1 2 376.404 2.337 20 0 GEADLO CNC(=O)NC1CC[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000412057626 532784222 /nfs/dbraw/zinc/78/42/22/532784222.db2.gz YFMGYODZVYGWIA-QHCPKHFHSA-N 1 2 378.325 2.494 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(Br)c1Cl ZINC000319076101 532785355 /nfs/dbraw/zinc/78/53/55/532785355.db2.gz QNXACCPJKFHTFP-NSHDSACASA-N 1 2 386.633 2.340 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(Br)c1Cl ZINC000319076101 532785361 /nfs/dbraw/zinc/78/53/61/532785361.db2.gz QNXACCPJKFHTFP-NSHDSACASA-N 1 2 386.633 2.340 20 0 GEADLO Cc1nc(N2CCN(C(=O)c3cccc(Br)c3O)CC2)cc[nH+]1 ZINC000546816697 532785583 /nfs/dbraw/zinc/78/55/83/532785583.db2.gz XEHPCYSHHYOGDE-UHFFFAOYSA-N 1 2 377.242 2.216 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3coc(C(N)=O)c3)[nH+]c12 ZINC000546820961 532786157 /nfs/dbraw/zinc/78/61/57/532786157.db2.gz PRHOXRYSORKVBP-UHFFFAOYSA-N 1 2 391.225 2.070 20 0 GEADLO COc1cc[nH+]cc1COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000287244908 532787781 /nfs/dbraw/zinc/78/77/81/532787781.db2.gz RHLDGMYDAOYDFC-UHFFFAOYSA-N 1 2 384.841 2.108 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)cc(Br)c2)C1 ZINC000412373186 532788812 /nfs/dbraw/zinc/78/88/12/532788812.db2.gz RQHBZMJPXFGZLV-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(C)cc(Br)c2)C1 ZINC000412373186 532788813 /nfs/dbraw/zinc/78/88/13/532788813.db2.gz RQHBZMJPXFGZLV-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2c(Cl)ccc(F)c2F)CCCO1 ZINC000287285465 532789746 /nfs/dbraw/zinc/78/97/46/532789746.db2.gz IXTFPWHPMVMRRO-NSHDSACASA-N 1 2 382.860 2.397 20 0 GEADLO C[C@H]1C[N@@H+](CCCNS(=O)(=O)c2c(Cl)ccc(F)c2F)CCCO1 ZINC000287285465 532789748 /nfs/dbraw/zinc/78/97/48/532789748.db2.gz IXTFPWHPMVMRRO-NSHDSACASA-N 1 2 382.860 2.397 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Br)cc(Cl)c2O)C[C@H](C)[N@H+]1CCO ZINC000412373305 532789822 /nfs/dbraw/zinc/78/98/22/532789822.db2.gz BTXNICXQLOHZTM-AOOOYVTPSA-N 1 2 391.693 2.335 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Br)cc(Cl)c2O)C[C@H](C)[N@@H+]1CCO ZINC000412373305 532789825 /nfs/dbraw/zinc/78/98/25/532789825.db2.gz BTXNICXQLOHZTM-AOOOYVTPSA-N 1 2 391.693 2.335 20 0 GEADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000412398066 532790846 /nfs/dbraw/zinc/79/08/46/532790846.db2.gz KOCASLFREJXWTR-GFCCVEGCSA-N 1 2 384.889 2.102 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000326902039 532791158 /nfs/dbraw/zinc/79/11/58/532791158.db2.gz JJWSGQHNSRHFIF-OAHLLOKOSA-N 1 2 383.901 2.100 20 0 GEADLO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000412421038 532791374 /nfs/dbraw/zinc/79/13/74/532791374.db2.gz BZXZGSOVEJFNMP-PVAVHDDUSA-N 1 2 397.313 2.394 20 0 GEADLO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000412421038 532791379 /nfs/dbraw/zinc/79/13/79/532791379.db2.gz BZXZGSOVEJFNMP-PVAVHDDUSA-N 1 2 397.313 2.394 20 0 GEADLO CC[C@@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@H](O)C(F)F ZINC000457932647 532791697 /nfs/dbraw/zinc/79/16/97/532791697.db2.gz BWPIVJDGUFQBAB-PWSUYJOCSA-N 1 2 391.216 2.301 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)NC1CCC(C(F)F)CC1 ZINC000457928274 532791759 /nfs/dbraw/zinc/79/17/59/532791759.db2.gz FWXCEARRARPEAO-MQBCKMQZSA-N 1 2 377.501 2.317 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(C)c(Br)c2)CC1 ZINC000412436335 532792557 /nfs/dbraw/zinc/79/25/57/532792557.db2.gz OHMUSMKOAXMZLS-UHFFFAOYSA-N 1 2 385.302 2.177 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000269908248 532793007 /nfs/dbraw/zinc/79/30/07/532793007.db2.gz BRUQMDAKJCHAFO-UHFFFAOYSA-N 1 2 388.693 2.124 20 0 GEADLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)Nc1ccc(I)cc1 ZINC000514203921 532780455 /nfs/dbraw/zinc/78/04/55/532780455.db2.gz NAOBHWZPFYTNIN-UONOGXRCSA-N 1 2 386.233 2.483 20 0 GEADLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)Nc1ccc(I)cc1 ZINC000514203921 532780456 /nfs/dbraw/zinc/78/04/56/532780456.db2.gz NAOBHWZPFYTNIN-UONOGXRCSA-N 1 2 386.233 2.483 20 0 GEADLO O=C(NC[C@H]1CCCn2cc[nH+]c21)c1ccc(I)cn1 ZINC000456002296 532780563 /nfs/dbraw/zinc/78/05/63/532780563.db2.gz UCAKQRCWWJPNJN-SNVBAGLBSA-N 1 2 382.205 2.190 20 0 GEADLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@@H]21)Nc1cccc(I)c1 ZINC000514194643 532780615 /nfs/dbraw/zinc/78/06/15/532780615.db2.gz KKVQGMHXJDIWKM-KBPBESRZSA-N 1 2 386.233 2.483 20 0 GEADLO O=C(C[N@H+]1CCO[C@H]2CCC[C@@H]21)Nc1cccc(I)c1 ZINC000514194643 532780618 /nfs/dbraw/zinc/78/06/18/532780618.db2.gz KKVQGMHXJDIWKM-KBPBESRZSA-N 1 2 386.233 2.483 20 0 GEADLO COC(=O)C1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000271234090 532805774 /nfs/dbraw/zinc/80/57/74/532805774.db2.gz DTSMUVBPJOCEOK-GFCCVEGCSA-N 1 2 399.285 2.084 20 0 GEADLO Cc1cc(CNc2cc(NC[C@@H](C)O)[nH+]cn2)ccc1I ZINC000413264466 532808916 /nfs/dbraw/zinc/80/89/16/532808916.db2.gz IIUOGJXLGIGEOC-LLVKDONJSA-N 1 2 398.248 2.794 20 0 GEADLO Cc1cc(CNc2cc(NC[C@@H](C)O)nc[nH+]2)ccc1I ZINC000413264466 532808919 /nfs/dbraw/zinc/80/89/19/532808919.db2.gz IIUOGJXLGIGEOC-LLVKDONJSA-N 1 2 398.248 2.794 20 0 GEADLO CSC1(CNC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CCC1 ZINC000555703951 532809675 /nfs/dbraw/zinc/80/96/75/532809675.db2.gz RAFWLMRERHTSKN-HNNXBMFYSA-N 1 2 383.945 2.461 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1ccc(Br)cc1 ZINC000270406125 532797451 /nfs/dbraw/zinc/79/74/51/532797451.db2.gz AELUIEVZUAWDAP-AWEZNQCLSA-N 1 2 380.242 2.005 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1ccc(Br)cc1 ZINC000270406125 532797454 /nfs/dbraw/zinc/79/74/54/532797454.db2.gz AELUIEVZUAWDAP-AWEZNQCLSA-N 1 2 380.242 2.005 20 0 GEADLO O=C(NCCn1cc[nH+]c1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000550081316 532797912 /nfs/dbraw/zinc/79/79/12/532797912.db2.gz CBPZUZHQBCKLAF-UHFFFAOYSA-N 1 2 381.263 2.497 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270664394 532800941 /nfs/dbraw/zinc/80/09/41/532800941.db2.gz RAPWGUKJEGBPEU-DOMZBBRYSA-N 1 2 390.908 2.411 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270664394 532800944 /nfs/dbraw/zinc/80/09/44/532800944.db2.gz RAPWGUKJEGBPEU-DOMZBBRYSA-N 1 2 390.908 2.411 20 0 GEADLO CN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000329061059 532802108 /nfs/dbraw/zinc/80/21/08/532802108.db2.gz ZEPMBLBNPSMCMB-GXTWGEPZSA-N 1 2 388.942 2.064 20 0 GEADLO CN(C(=O)C[N@@H+](C)[C@H]1CCSC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000329061059 532802111 /nfs/dbraw/zinc/80/21/11/532802111.db2.gz ZEPMBLBNPSMCMB-GXTWGEPZSA-N 1 2 388.942 2.064 20 0 GEADLO COCCN(C(C)=O)c1nc(C[N@@H+]2CCSC3(CCOCC3)C2)cs1 ZINC000329914624 532813373 /nfs/dbraw/zinc/81/33/73/532813373.db2.gz CPTQCNUOAKWRJR-UHFFFAOYSA-N 1 2 385.555 2.240 20 0 GEADLO COCCN(C(C)=O)c1nc(C[N@H+]2CCSC3(CCOCC3)C2)cs1 ZINC000329914624 532813375 /nfs/dbraw/zinc/81/33/75/532813375.db2.gz CPTQCNUOAKWRJR-UHFFFAOYSA-N 1 2 385.555 2.240 20 0 GEADLO C[C@@H](NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@H]1CCOC1 ZINC000556668494 532811615 /nfs/dbraw/zinc/81/16/15/532811615.db2.gz DDFIWLHOIOZNFX-NEPJUHHUSA-N 1 2 399.289 2.227 20 0 GEADLO CC[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000329806116 532812268 /nfs/dbraw/zinc/81/22/68/532812268.db2.gz LCZJDEQRECMQON-YPMHNXCESA-N 1 2 397.317 2.232 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2cccc(Br)n2)CC1 ZINC000272412180 532815332 /nfs/dbraw/zinc/81/53/32/532815332.db2.gz LMXNAXJWYNTXHS-UHFFFAOYSA-N 1 2 376.320 2.138 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000330421446 532817983 /nfs/dbraw/zinc/81/79/83/532817983.db2.gz RRHWJMQOCOADTA-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000330421446 532817984 /nfs/dbraw/zinc/81/79/84/532817984.db2.gz RRHWJMQOCOADTA-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)sc1Br ZINC000330229850 532816317 /nfs/dbraw/zinc/81/63/17/532816317.db2.gz WCSGHSYVGYLMBG-VIFPVBQESA-N 1 2 376.301 2.309 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)C[C@@H]21 ZINC000330266636 532816400 /nfs/dbraw/zinc/81/64/00/532816400.db2.gz HSASOZPDMCXFFL-JKSUJKDBSA-N 1 2 381.263 2.334 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cn(-c4ccc(Cl)c(Cl)c4)cn3)C[C@@H]21 ZINC000330266636 532816402 /nfs/dbraw/zinc/81/64/02/532816402.db2.gz HSASOZPDMCXFFL-JKSUJKDBSA-N 1 2 381.263 2.334 20 0 GEADLO C[C@@H]1CCN(C(=O)NCCn2cc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000288080935 532816610 /nfs/dbraw/zinc/81/66/10/532816610.db2.gz HDNAPILPWBQNAG-TZMCWYRMSA-N 1 2 381.278 2.135 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)C[C@@H]1C ZINC000288141115 532818737 /nfs/dbraw/zinc/81/87/37/532818737.db2.gz YVJMDXOOSAOHDQ-NWDGAFQWSA-N 1 2 380.432 2.000 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)C[C@@H]1C ZINC000288141115 532818739 /nfs/dbraw/zinc/81/87/39/532818739.db2.gz YVJMDXOOSAOHDQ-NWDGAFQWSA-N 1 2 380.432 2.000 20 0 GEADLO Cn1nc(C(F)(F)F)c(C[NH+]2CCC(N3CCCNC3=O)CC2)c1Cl ZINC000272910532 532819808 /nfs/dbraw/zinc/81/98/08/532819808.db2.gz REOMWJAOTOKLML-UHFFFAOYSA-N 1 2 379.814 2.472 20 0 GEADLO C[NH+](C)[C@@H](CNCc1ccc(S(N)(=O)=O)c(Cl)c1)Cc1ccccc1 ZINC000414240807 532821259 /nfs/dbraw/zinc/82/12/59/532821259.db2.gz KFVKAIBGGJIFDZ-MRXNPFEDSA-N 1 2 381.929 2.250 20 0 GEADLO C[NH+](C)[C@H](CNCc1ccc(S(N)(=O)=O)c(Cl)c1)Cc1ccccc1 ZINC000414240806 532821371 /nfs/dbraw/zinc/82/13/71/532821371.db2.gz KFVKAIBGGJIFDZ-INIZCTEOSA-N 1 2 381.929 2.250 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cnn(C)c2Br)CC1 ZINC000273282978 532821747 /nfs/dbraw/zinc/82/17/47/532821747.db2.gz WVMPOYMMOSTFAM-GFCCVEGCSA-N 1 2 378.274 2.097 20 0 GEADLO COC(=O)C[C@@H](C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273272936 532822011 /nfs/dbraw/zinc/82/20/11/532822011.db2.gz JTPDXHTVCGIHAG-LLVKDONJSA-N 1 2 382.258 2.263 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CNC(=O)C(C)(C)C)[nH+]c12 ZINC000273338579 532823023 /nfs/dbraw/zinc/82/30/23/532823023.db2.gz WBGMDQMERLRQBQ-UHFFFAOYSA-N 1 2 395.301 2.226 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC3(CO)CCC3)[nH+]c12 ZINC000273412806 532823466 /nfs/dbraw/zinc/82/34/66/532823466.db2.gz DJZCTJMAILEFNJ-UHFFFAOYSA-N 1 2 381.274 2.162 20 0 GEADLO CC(C)CN(C)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000330687299 532825375 /nfs/dbraw/zinc/82/53/75/532825375.db2.gz BVUACXAHGSIYML-IRXDYDNUSA-N 1 2 389.949 2.134 20 0 GEADLO CC(C)CN(C)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000330687299 532825376 /nfs/dbraw/zinc/82/53/76/532825376.db2.gz BVUACXAHGSIYML-IRXDYDNUSA-N 1 2 389.949 2.134 20 0 GEADLO CCO[C@@H]1C[C@@H](Nc2[nH+]cnc3c2c(Br)nn3C)[C@]12CCCO2 ZINC000273553952 532826368 /nfs/dbraw/zinc/82/63/68/532826368.db2.gz ZHTBKVGDSLZIKG-IQMDTDKHSA-N 1 2 382.262 2.264 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H](O)C3CC3)[nH+]c12 ZINC000273426237 532823971 /nfs/dbraw/zinc/82/39/71/532823971.db2.gz JIKGHBMNFVZUIQ-CQSZACIVSA-N 1 2 381.274 2.018 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H](C)CCO)[nH+]c12 ZINC000273597031 532827916 /nfs/dbraw/zinc/82/79/16/532827916.db2.gz WUBLZYQHOHGQSS-LLVKDONJSA-N 1 2 383.290 2.265 20 0 GEADLO COc1ccc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)c(Br)c1OC ZINC000330849465 532828242 /nfs/dbraw/zinc/82/82/42/532828242.db2.gz DJYJBIHABJROIS-NSHDSACASA-N 1 2 392.315 2.333 20 0 GEADLO COc1ccc(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)c(Br)c1OC ZINC000330849465 532828246 /nfs/dbraw/zinc/82/82/46/532828246.db2.gz DJYJBIHABJROIS-NSHDSACASA-N 1 2 392.315 2.333 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCCCc1ccc(Cl)s1 ZINC000288492274 532829148 /nfs/dbraw/zinc/82/91/48/532829148.db2.gz KAVOCYVLZHSHKI-CQSZACIVSA-N 1 2 389.949 2.059 20 0 GEADLO CC(C)(O)CC[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000330898450 532829340 /nfs/dbraw/zinc/82/93/40/532829340.db2.gz OZUMVKUZBWTVOJ-UHFFFAOYSA-N 1 2 380.432 2.173 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(Br)c1O ZINC000273709855 532832068 /nfs/dbraw/zinc/83/20/68/532832068.db2.gz FWXZJRIMIJZZBH-ZDUSSCGKSA-N 1 2 385.302 2.317 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c(Br)c1O ZINC000273709855 532832072 /nfs/dbraw/zinc/83/20/72/532832072.db2.gz FWXZJRIMIJZZBH-ZDUSSCGKSA-N 1 2 385.302 2.317 20 0 GEADLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000288588356 532832552 /nfs/dbraw/zinc/83/25/52/532832552.db2.gz YSDUQAROXFFLRF-BLLLJJGKSA-N 1 2 384.929 2.491 20 0 GEADLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000288588356 532832555 /nfs/dbraw/zinc/83/25/55/532832555.db2.gz YSDUQAROXFFLRF-BLLLJJGKSA-N 1 2 384.929 2.491 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc(Br)c1OC(F)F ZINC000414561642 532832641 /nfs/dbraw/zinc/83/26/41/532832641.db2.gz SSZJTXWBWKGDBR-ZYHUDNBSSA-N 1 2 396.228 2.234 20 0 GEADLO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc(Br)c1OC(F)F ZINC000414561642 532832642 /nfs/dbraw/zinc/83/26/42/532832642.db2.gz SSZJTXWBWKGDBR-ZYHUDNBSSA-N 1 2 396.228 2.234 20 0 GEADLO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000414496477 532831235 /nfs/dbraw/zinc/83/12/35/532831235.db2.gz IKAAXLGWOUAEIU-SECBINFHSA-N 1 2 394.203 2.480 20 0 GEADLO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000414496477 532831236 /nfs/dbraw/zinc/83/12/36/532831236.db2.gz IKAAXLGWOUAEIU-SECBINFHSA-N 1 2 394.203 2.480 20 0 GEADLO O[C@@H](C[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccccc1Br ZINC000273693987 532831318 /nfs/dbraw/zinc/83/13/18/532831318.db2.gz LXAHRGUPTWYYDN-HNNXBMFYSA-N 1 2 381.249 2.234 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000331193603 532835803 /nfs/dbraw/zinc/83/58/03/532835803.db2.gz RAPRIQZNNONFCJ-YPMHNXCESA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000331193603 532835804 /nfs/dbraw/zinc/83/58/04/532835804.db2.gz RAPRIQZNNONFCJ-YPMHNXCESA-N 1 2 381.325 2.459 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCN(c3[nH+]c4ccccc4n3C)CC2)cc1 ZINC000001370906 209324131 /nfs/dbraw/zinc/32/41/31/209324131.db2.gz RCWKVZFGAPBUPI-UHFFFAOYSA-N 1 2 386.477 2.093 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCCCC(=O)N(C)C)[nH+]c12 ZINC000273972185 532838385 /nfs/dbraw/zinc/83/83/85/532838385.db2.gz MRDVKKPOUDQRNP-UHFFFAOYSA-N 1 2 396.289 2.073 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)CN3CCCCCC3=O)[nH+]c12 ZINC000273962158 532838463 /nfs/dbraw/zinc/83/84/63/532838463.db2.gz LWNPJTCHTPPXDG-UHFFFAOYSA-N 1 2 393.285 2.424 20 0 GEADLO Nc1ccc(NC(=O)C(=O)N(Cc2csc(Br)c2)C2CC2)c[nH+]1 ZINC000415176363 532838942 /nfs/dbraw/zinc/83/89/42/532838942.db2.gz XWCDXQMTXXURSC-UHFFFAOYSA-N 1 2 395.282 2.618 20 0 GEADLO C[C@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3[nH+]ccn3C)ccc2N1S(C)(=O)=O ZINC000359898907 209200804 /nfs/dbraw/zinc/20/08/04/209200804.db2.gz NFZHFZAHGSXNKH-SUMWQHHRSA-N 1 2 388.493 2.108 20 0 GEADLO CS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000274022542 532839661 /nfs/dbraw/zinc/83/96/61/532839661.db2.gz FIJBTNVKHJFDLN-CQSZACIVSA-N 1 2 386.543 2.170 20 0 GEADLO CS(=O)(=O)[C@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000274022540 532839721 /nfs/dbraw/zinc/83/97/21/532839721.db2.gz FIJBTNVKHJFDLN-AWEZNQCLSA-N 1 2 386.543 2.170 20 0 GEADLO COC(=O)CCCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274025024 532839835 /nfs/dbraw/zinc/83/98/35/532839835.db2.gz CJHBOASBJDQOGJ-UHFFFAOYSA-N 1 2 382.258 2.407 20 0 GEADLO Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c2cccnc12 ZINC000328633331 209150619 /nfs/dbraw/zinc/15/06/19/209150619.db2.gz SMEPOOVETPJRTH-WMLDXEAASA-N 1 2 386.477 2.475 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)CCO1 ZINC000328617662 209148982 /nfs/dbraw/zinc/14/89/82/209148982.db2.gz CZASRRLAYUEVRL-KXBFYZLASA-N 1 2 390.509 2.001 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000274209386 532844438 /nfs/dbraw/zinc/84/44/38/532844438.db2.gz OXRHWXPKUFFXSQ-CYBMUJFWSA-N 1 2 391.331 2.152 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000274221593 532845194 /nfs/dbraw/zinc/84/51/94/532845194.db2.gz VGYZAJZHXYTPDJ-CHWSQXEVSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000274221593 532845196 /nfs/dbraw/zinc/84/51/96/532845196.db2.gz VGYZAJZHXYTPDJ-CHWSQXEVSA-N 1 2 382.309 2.242 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)Oc1ccccc1OCC(F)(F)F ZINC000274232520 532845538 /nfs/dbraw/zinc/84/55/38/532845538.db2.gz QYKPKDZEHYAOND-UHFFFAOYSA-N 1 2 383.388 2.059 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)CNCC(F)(F)F)[nH+]c12 ZINC000274240417 532845585 /nfs/dbraw/zinc/84/55/85/532845585.db2.gz RDZJUXIFFXNXJH-UHFFFAOYSA-N 1 2 379.180 2.173 20 0 GEADLO COc1cc(C)c(Br)cc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000274261311 532846490 /nfs/dbraw/zinc/84/64/90/532846490.db2.gz WWZOLHJIZLWFAE-LBPRGKRZSA-N 1 2 385.306 2.133 20 0 GEADLO COc1cc(C)c(Br)cc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000274261311 532846491 /nfs/dbraw/zinc/84/64/91/532846491.db2.gz WWZOLHJIZLWFAE-LBPRGKRZSA-N 1 2 385.306 2.133 20 0 GEADLO COc1c(Br)cccc1C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000289083106 532846904 /nfs/dbraw/zinc/84/69/04/532846904.db2.gz AZQHFPJIYUTTQA-UHFFFAOYSA-N 1 2 391.331 2.219 20 0 GEADLO CO[C@@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)[C@H](C[NH3+])C1 ZINC000415484655 532847101 /nfs/dbraw/zinc/84/71/01/532847101.db2.gz NUUOUSGSJSWHNC-QWHCGFSZSA-N 1 2 381.889 2.250 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000332081336 532848670 /nfs/dbraw/zinc/84/86/70/532848670.db2.gz LUHZCHJKXOLSJZ-LLVKDONJSA-N 1 2 385.873 2.269 20 0 GEADLO NC(=O)N[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000289212886 532849820 /nfs/dbraw/zinc/84/98/20/532849820.db2.gz IRQICXUDWOLUFG-LLVKDONJSA-N 1 2 377.080 2.454 20 0 GEADLO NC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000289212886 532849822 /nfs/dbraw/zinc/84/98/22/532849822.db2.gz IRQICXUDWOLUFG-LLVKDONJSA-N 1 2 377.080 2.454 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1ccc(OC)c(Cl)c1 ZINC000274461645 532850529 /nfs/dbraw/zinc/85/05/29/532850529.db2.gz KLRHZPFLIAMHIT-ABAIWWIYSA-N 1 2 386.901 2.116 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000289264467 532851239 /nfs/dbraw/zinc/85/12/39/532851239.db2.gz XZMWPSNHZKAMSA-NHYWBVRUSA-N 1 2 386.279 2.254 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1 ZINC000332521462 532856845 /nfs/dbraw/zinc/85/68/45/532856845.db2.gz AGZKEVQMXTVUDK-IUODEOHRSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c1 ZINC000332521462 532856848 /nfs/dbraw/zinc/85/68/48/532856848.db2.gz AGZKEVQMXTVUDK-IUODEOHRSA-N 1 2 386.901 2.374 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cccc(OC)c2OC(F)F)CC1 ZINC000289547188 532858416 /nfs/dbraw/zinc/85/84/16/532858416.db2.gz XICOJUXBGAZNTQ-UHFFFAOYSA-N 1 2 378.441 2.200 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000332642554 532859034 /nfs/dbraw/zinc/85/90/34/532859034.db2.gz YZQHBRBOJIXMQS-NSHDSACASA-N 1 2 380.286 2.039 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000332642554 532859037 /nfs/dbraw/zinc/85/90/37/532859037.db2.gz YZQHBRBOJIXMQS-NSHDSACASA-N 1 2 380.286 2.039 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000333053663 532863203 /nfs/dbraw/zinc/86/32/03/532863203.db2.gz CAJBUMBKAMCERF-NEPJUHHUSA-N 1 2 399.289 2.370 20 0 GEADLO CCOc1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)cc1Br ZINC000289695693 532863567 /nfs/dbraw/zinc/86/35/67/532863567.db2.gz VYLVKULTJMDFMK-UHFFFAOYSA-N 1 2 386.271 2.249 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)Nc1cc(Cl)ccc1F ZINC000275137345 532865884 /nfs/dbraw/zinc/86/58/84/532865884.db2.gz UAIDLKWVQAKYLP-VIFPVBQESA-N 1 2 381.757 2.418 20 0 GEADLO O=C(C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)Nc1cc(Cl)ccc1F ZINC000275137345 532865887 /nfs/dbraw/zinc/86/58/87/532865887.db2.gz UAIDLKWVQAKYLP-VIFPVBQESA-N 1 2 381.757 2.418 20 0 GEADLO Cc1nc2cc(Br)cc(NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2o1 ZINC000333467760 532868941 /nfs/dbraw/zinc/86/89/41/532868941.db2.gz FKUFDRINFWLSIO-KBPBESRZSA-N 1 2 395.257 2.445 20 0 GEADLO Cc1nc2cc(Br)cc(NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2o1 ZINC000333467760 532868945 /nfs/dbraw/zinc/86/89/45/532868945.db2.gz FKUFDRINFWLSIO-KBPBESRZSA-N 1 2 395.257 2.445 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000416305019 532869897 /nfs/dbraw/zinc/86/98/97/532869897.db2.gz ZXWDAPQHNVEBEN-ZIAGYGMSSA-N 1 2 384.929 2.169 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000416305019 532869900 /nfs/dbraw/zinc/86/99/00/532869900.db2.gz ZXWDAPQHNVEBEN-ZIAGYGMSSA-N 1 2 384.929 2.169 20 0 GEADLO O=C(C[N@H+]1CCCN(Cc2cnc(Br)s2)CC1)N1CCCC1 ZINC000290014535 532869915 /nfs/dbraw/zinc/86/99/15/532869915.db2.gz MEXSEWMBVMDYIA-UHFFFAOYSA-N 1 2 387.347 2.036 20 0 GEADLO O=C(C[N@@H+]1CCCN(Cc2cnc(Br)s2)CC1)N1CCCC1 ZINC000290014535 532869917 /nfs/dbraw/zinc/86/99/17/532869917.db2.gz MEXSEWMBVMDYIA-UHFFFAOYSA-N 1 2 387.347 2.036 20 0 GEADLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Nc2nnc(C(F)(F)F)s2)CCO1 ZINC000275270768 532870388 /nfs/dbraw/zinc/87/03/88/532870388.db2.gz JIYDGBOBTWUMDW-VXNVDRBHSA-N 1 2 376.364 2.332 20 0 GEADLO COc1cc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)sc1Br ZINC000416315400 532870347 /nfs/dbraw/zinc/87/03/47/532870347.db2.gz URVZBUZHYOHDSC-ZJUUUORDSA-N 1 2 377.304 2.046 20 0 GEADLO COc1cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)sc1Br ZINC000416315400 532870349 /nfs/dbraw/zinc/87/03/49/532870349.db2.gz URVZBUZHYOHDSC-ZJUUUORDSA-N 1 2 377.304 2.046 20 0 GEADLO C[C@@H]1OCC[C@]12CN(C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)CCO2 ZINC000333693826 532872125 /nfs/dbraw/zinc/87/21/25/532872125.db2.gz QSPBSLWNQGCZQY-ZBEGNZNMSA-N 1 2 399.289 2.322 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCN1C ZINC000275302713 532871903 /nfs/dbraw/zinc/87/19/03/532871903.db2.gz NCOWCUFCDMSVNT-AWEZNQCLSA-N 1 2 389.308 2.404 20 0 GEADLO CN(C)c1cc(NC(=O)N2CCC3(CNC(=O)C3)CC2)[nH+]cc1Br ZINC000333718969 532872455 /nfs/dbraw/zinc/87/24/55/532872455.db2.gz UWXXLRBZOSQXNW-UHFFFAOYSA-N 1 2 396.289 2.044 20 0 GEADLO COCCC[N@H+](Cc1cc2c(cc1Cl)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000290109498 532872709 /nfs/dbraw/zinc/87/27/09/532872709.db2.gz YFHUTNVHCOKVQU-CQSZACIVSA-N 1 2 389.901 2.137 20 0 GEADLO COCCC[N@@H+](Cc1cc2c(cc1Cl)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000290109498 532872710 /nfs/dbraw/zinc/87/27/10/532872710.db2.gz YFHUTNVHCOKVQU-CQSZACIVSA-N 1 2 389.901 2.137 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000333843622 532873953 /nfs/dbraw/zinc/87/39/53/532873953.db2.gz NVUOHHWSQKWIPG-YGRLFVJLSA-N 1 2 386.265 2.205 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000333843622 532873956 /nfs/dbraw/zinc/87/39/56/532873956.db2.gz NVUOHHWSQKWIPG-YGRLFVJLSA-N 1 2 386.265 2.205 20 0 GEADLO O=S1(=O)CCN(Cc2c[nH+]c3ccc(Br)cn23)[C@@H](C2CCC2)C1 ZINC000333944140 532876060 /nfs/dbraw/zinc/87/60/60/532876060.db2.gz RQTBSDFYMQDGFO-OAHLLOKOSA-N 1 2 398.326 2.496 20 0 GEADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CSCCS3)c2)CC1 ZINC000275551439 532878576 /nfs/dbraw/zinc/87/85/76/532878576.db2.gz LZPQAFKXBSBUPO-QGZVFWFLSA-N 1 2 379.551 2.138 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N2C[C@H](C)[NH2+]Cc3ccc(F)cc32)c1 ZINC000420456670 532883723 /nfs/dbraw/zinc/88/37/23/532883723.db2.gz HRXBRIHDBJIDKT-JTQLQIEISA-N 1 2 384.454 2.361 20 0 GEADLO CON1CCC(NC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)CC1 ZINC000420876881 532886780 /nfs/dbraw/zinc/88/67/80/532886780.db2.gz OLIIIOHFHSMZNJ-UHFFFAOYSA-N 1 2 396.289 2.230 20 0 GEADLO CN(C)c1ccc(CNS(=O)(=O)c2cc(F)ccc2OC(F)F)c[nH+]1 ZINC000420653105 532884808 /nfs/dbraw/zinc/88/48/08/532884808.db2.gz KRPJPDZLWIBEPR-UHFFFAOYSA-N 1 2 375.372 2.367 20 0 GEADLO Cc1cc(Br)cn2cc(CNS(=O)(=O)[C@H]3CCO[C@H]3C)[nH+]c12 ZINC000276269544 532892135 /nfs/dbraw/zinc/89/21/35/532892135.db2.gz ZHCZIKGKHYWUMR-GWCFXTLKSA-N 1 2 388.287 2.002 20 0 GEADLO O=C(c1nc(Br)ccc1Br)N1CCn2c[nH+]cc2C1 ZINC000291073410 532895959 /nfs/dbraw/zinc/89/59/59/532895959.db2.gz JCHOFGSBYWFJNA-UHFFFAOYSA-N 1 2 386.047 2.459 20 0 GEADLO Cc1oc(Br)cc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000424645916 532896866 /nfs/dbraw/zinc/89/68/66/532896866.db2.gz OQXVUCIITOJTNP-UHFFFAOYSA-N 1 2 383.246 2.132 20 0 GEADLO CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(Br)s1)c1[nH]cc[nH+]1 ZINC000276530010 532897250 /nfs/dbraw/zinc/89/72/50/532897250.db2.gz CZVIFFHBNIQAGB-GFCCVEGCSA-N 1 2 385.287 2.477 20 0 GEADLO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2C[NH+](C(C)C)C2)c1 ZINC000276525051 532897496 /nfs/dbraw/zinc/89/74/96/532897496.db2.gz CMIFSKHBPTTXEC-UHFFFAOYSA-N 1 2 387.933 2.191 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3CC[C@H](O)C3)[nH+]c12 ZINC000276690310 532899949 /nfs/dbraw/zinc/89/99/49/532899949.db2.gz WBWMLGBAJGVVAS-DOMZBBRYSA-N 1 2 395.301 2.408 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CC[C@H](O)C3)[nH+]c12 ZINC000276684141 532899990 /nfs/dbraw/zinc/89/99/90/532899990.db2.gz VJMBEPSCKUAQLZ-FZMZJTMJSA-N 1 2 381.274 2.365 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccc(Br)c(C)c1)CC2 ZINC000363671588 532900056 /nfs/dbraw/zinc/90/00/56/532900056.db2.gz KJYCVTNQNGCBIU-UHFFFAOYSA-N 1 2 377.242 2.243 20 0 GEADLO Cc1cn2c([nH+]1)CN(CCS(=O)(=O)c1cccc(Br)c1)CC2 ZINC000363690391 532900083 /nfs/dbraw/zinc/90/00/83/532900083.db2.gz QCCVERIPNBFPKW-UHFFFAOYSA-N 1 2 384.299 2.244 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000276766720 532900806 /nfs/dbraw/zinc/90/08/06/532900806.db2.gz GRPQOQQXWXWDMM-UHFFFAOYSA-N 1 2 376.251 2.451 20 0 GEADLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000276824962 532901575 /nfs/dbraw/zinc/90/15/75/532901575.db2.gz QAQDYHVFFWORTJ-ZDUSSCGKSA-N 1 2 381.270 2.417 20 0 GEADLO O=C1CCCN1[C@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000276824962 532901577 /nfs/dbraw/zinc/90/15/77/532901577.db2.gz QAQDYHVFFWORTJ-ZDUSSCGKSA-N 1 2 381.270 2.417 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000291621201 532905362 /nfs/dbraw/zinc/90/53/62/532905362.db2.gz BQTHTHSFBNIKCS-UHFFFAOYSA-N 1 2 385.873 2.424 20 0 GEADLO CC1(C)CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCS1(=O)=O ZINC000291511065 532902989 /nfs/dbraw/zinc/90/29/89/532902989.db2.gz OYRZBHFGUKJXON-AWEZNQCLSA-N 1 2 385.555 2.104 20 0 GEADLO O=S(=O)(c1ccc(OCC(F)F)cc1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000364136167 532904072 /nfs/dbraw/zinc/90/40/72/532904072.db2.gz OMZAOTPETXVVEQ-ZDUSSCGKSA-N 1 2 392.493 2.142 20 0 GEADLO Nc1ccc(S(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cc1 ZINC000276986311 532905080 /nfs/dbraw/zinc/90/50/80/532905080.db2.gz GFGPSCCUXNHZJE-KRWDZBQOSA-N 1 2 377.535 2.165 20 0 GEADLO Nc1ccc(S(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000276986311 532905082 /nfs/dbraw/zinc/90/50/82/532905082.db2.gz GFGPSCCUXNHZJE-KRWDZBQOSA-N 1 2 377.535 2.165 20 0 GEADLO CON(C)C(=O)C1CC[NH+](CC(=O)Nc2ccc(C)cc2Br)CC1 ZINC000291724501 532907794 /nfs/dbraw/zinc/90/77/94/532907794.db2.gz JGZDIXZIVIRENH-UHFFFAOYSA-N 1 2 398.301 2.428 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000365288090 532909361 /nfs/dbraw/zinc/90/93/61/532909361.db2.gz IMEBEFLSNBRRDJ-UHFFFAOYSA-N 1 2 394.273 2.345 20 0 GEADLO C[C@@H](CNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)[NH+]1CCOCC1 ZINC000365393828 532910541 /nfs/dbraw/zinc/91/05/41/532910541.db2.gz WEWOLDOCAYGRSM-QJPTWQEYSA-N 1 2 388.331 2.386 20 0 GEADLO O=C([C@@H]1CCCN1CC(F)(F)F)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000291812484 532908827 /nfs/dbraw/zinc/90/88/27/532908827.db2.gz ZPSVCCPOQCAHBF-AWEZNQCLSA-N 1 2 376.448 2.204 20 0 GEADLO O=C([C@@H]1CCCN1CC(F)(F)F)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000291812484 532908828 /nfs/dbraw/zinc/90/88/28/532908828.db2.gz ZPSVCCPOQCAHBF-AWEZNQCLSA-N 1 2 376.448 2.204 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)C2 ZINC000365593501 532911436 /nfs/dbraw/zinc/91/14/36/532911436.db2.gz UBYASTORMVEVPO-LLVKDONJSA-N 1 2 375.372 2.383 20 0 GEADLO Cc1nn(C)c(C[NH+]2CCC(NC(=O)c3ccc[nH]3)CC2)c1Br ZINC000366174681 532915142 /nfs/dbraw/zinc/91/51/42/532915142.db2.gz ZVNABVYZUHTLQM-UHFFFAOYSA-N 1 2 380.290 2.214 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@H]1CCS(C)(=O)=O)c1cccs1 ZINC000366182284 532915236 /nfs/dbraw/zinc/91/52/36/532915236.db2.gz XGRXYXHMICWDGQ-GJZGRUSLSA-N 1 2 387.571 2.350 20 0 GEADLO C[N@@H+]1CCN(C2CCN(c3ncc(Cl)cc3Br)CC2)C(=O)C1 ZINC000365965262 532913436 /nfs/dbraw/zinc/91/34/36/532913436.db2.gz SKBFDFKQNGOFKG-UHFFFAOYSA-N 1 2 387.709 2.240 20 0 GEADLO C[N@H+]1CCN(C2CCN(c3ncc(Cl)cc3Br)CC2)C(=O)C1 ZINC000365965262 532913438 /nfs/dbraw/zinc/91/34/38/532913438.db2.gz SKBFDFKQNGOFKG-UHFFFAOYSA-N 1 2 387.709 2.240 20 0 GEADLO CN(C)[C@H](C(=O)N(C)CCc1cccc(Br)c1)c1c[nH+]cn1C ZINC000292123984 532913526 /nfs/dbraw/zinc/91/35/26/532913526.db2.gz GRWJEEMPMBQHHO-INIZCTEOSA-N 1 2 379.302 2.486 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)CSC(=S)N1CCC(C)CC1 ZINC000365992320 532913735 /nfs/dbraw/zinc/91/37/35/532913735.db2.gz JPBBIDDCECROEH-HZPDHXFCSA-N 1 2 385.599 2.058 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000292202456 532914138 /nfs/dbraw/zinc/91/41/38/532914138.db2.gz SIWVCADDXHNOOM-HNNXBMFYSA-N 1 2 376.316 2.239 20 0 GEADLO O=S(=O)(c1ccc(CN2CC[NH+]([C@H]3CCSC3)CC2)cc1)C(F)F ZINC000366065849 532914306 /nfs/dbraw/zinc/91/43/06/532914306.db2.gz GKQFQVZHUPTTSK-AWEZNQCLSA-N 1 2 376.494 2.306 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccc(OC(F)F)c(F)c1)C2 ZINC000366088896 532914434 /nfs/dbraw/zinc/91/44/34/532914434.db2.gz JUGQKOHGJJCLLM-JTQLQIEISA-N 1 2 375.372 2.225 20 0 GEADLO O=C(NCCc1ccc(Br)s1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366135367 532914736 /nfs/dbraw/zinc/91/47/36/532914736.db2.gz PJVUHSRENCFTOF-LBPRGKRZSA-N 1 2 388.331 2.216 20 0 GEADLO O=C(NCCc1ccc(Br)s1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366135367 532914738 /nfs/dbraw/zinc/91/47/38/532914738.db2.gz PJVUHSRENCFTOF-LBPRGKRZSA-N 1 2 388.331 2.216 20 0 GEADLO O[C@H](CNc1cccc(-n2cc[nH+]c2)n1)COc1ccccc1Br ZINC000366459951 532917416 /nfs/dbraw/zinc/91/74/16/532917416.db2.gz XTZZSDMBUZVPHD-CYBMUJFWSA-N 1 2 389.253 2.882 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1 ZINC000366510717 532918338 /nfs/dbraw/zinc/91/83/38/532918338.db2.gz WCPFEUXNUGMKKX-CYBMUJFWSA-N 1 2 388.917 2.010 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1 ZINC000366510717 532918340 /nfs/dbraw/zinc/91/83/40/532918340.db2.gz WCPFEUXNUGMKKX-CYBMUJFWSA-N 1 2 388.917 2.010 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000366554611 532918865 /nfs/dbraw/zinc/91/88/65/532918865.db2.gz XKDCXQCJHNKJPH-INIZCTEOSA-N 1 2 399.333 2.185 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000366554611 532918867 /nfs/dbraw/zinc/91/88/67/532918867.db2.gz XKDCXQCJHNKJPH-INIZCTEOSA-N 1 2 399.333 2.185 20 0 GEADLO CS(=O)(=O)Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)o1 ZINC000366909520 532921881 /nfs/dbraw/zinc/92/18/81/532921881.db2.gz HIKLUDVZZRMPNF-OAHLLOKOSA-N 1 2 382.869 2.264 20 0 GEADLO O=C(C[C@@H]1CCCS(=O)(=O)C1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000292921503 532920154 /nfs/dbraw/zinc/92/01/54/532920154.db2.gz GHIGDBBTEGSMLC-HNNXBMFYSA-N 1 2 382.551 2.389 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1)Nc1ccc(Cl)cc1Cl ZINC000293020935 532921439 /nfs/dbraw/zinc/92/14/39/532921439.db2.gz QSQOGNGMDZXXLF-ZDUSSCGKSA-N 1 2 384.267 2.353 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1)Nc1ccc(Cl)cc1Cl ZINC000293020935 532921441 /nfs/dbraw/zinc/92/14/41/532921441.db2.gz QSQOGNGMDZXXLF-ZDUSSCGKSA-N 1 2 384.267 2.353 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000367167303 532923207 /nfs/dbraw/zinc/92/32/07/532923207.db2.gz YXYTWZOALDPJQP-GFCCVEGCSA-N 1 2 379.869 2.381 20 0 GEADLO Cc1c(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cnn1C ZINC000293183795 532923297 /nfs/dbraw/zinc/92/32/97/532923297.db2.gz YMNFJSVFEMFCFF-OAHLLOKOSA-N 1 2 379.873 2.183 20 0 GEADLO Cc1[nH]c(=O)c(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cc1Br ZINC000367243484 532923790 /nfs/dbraw/zinc/92/37/90/532923790.db2.gz KOEHSGUEHAKVHZ-CQSZACIVSA-N 1 2 377.242 2.040 20 0 GEADLO O=C(NCCOc1ccc(Br)cc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367846079 532927949 /nfs/dbraw/zinc/92/79/49/532927949.db2.gz KPTSLAOVMCNXMA-LBPRGKRZSA-N 1 2 379.258 2.408 20 0 GEADLO O=C(NCCOc1ccc(Br)cc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367846079 532927950 /nfs/dbraw/zinc/92/79/50/532927950.db2.gz KPTSLAOVMCNXMA-LBPRGKRZSA-N 1 2 379.258 2.408 20 0 GEADLO O=C(NCCNc1cccc(Br)c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367858072 532927967 /nfs/dbraw/zinc/92/79/67/532927967.db2.gz JQYJAGXURCLCFW-ZDUSSCGKSA-N 1 2 378.274 2.441 20 0 GEADLO O=C(NCCNc1cccc(Br)c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367858072 532927969 /nfs/dbraw/zinc/92/79/69/532927969.db2.gz JQYJAGXURCLCFW-ZDUSSCGKSA-N 1 2 378.274 2.441 20 0 GEADLO O=C(NCCNc1cccc(Br)c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367858070 532928054 /nfs/dbraw/zinc/92/80/54/532928054.db2.gz JQYJAGXURCLCFW-CYBMUJFWSA-N 1 2 378.274 2.441 20 0 GEADLO O=C(NCCNc1cccc(Br)c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367858070 532928056 /nfs/dbraw/zinc/92/80/56/532928056.db2.gz JQYJAGXURCLCFW-CYBMUJFWSA-N 1 2 378.274 2.441 20 0 GEADLO C[C@@H](O)c1ncc(C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)s1 ZINC000368018484 532929333 /nfs/dbraw/zinc/92/93/33/532929333.db2.gz JKBMMKZNCLTCKG-CYBMUJFWSA-N 1 2 381.523 2.139 20 0 GEADLO CS(=O)(=O)C[C@H]1CCCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000293810286 532932039 /nfs/dbraw/zinc/93/20/39/532932039.db2.gz DZULAMCTPXXEHY-LBPRGKRZSA-N 1 2 386.315 2.353 20 0 GEADLO COc1c(Br)cccc1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293670384 532930195 /nfs/dbraw/zinc/93/01/95/532930195.db2.gz OSNPPACZHLNWDD-CQSZACIVSA-N 1 2 381.274 2.379 20 0 GEADLO COc1c(Br)cccc1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293670384 532930197 /nfs/dbraw/zinc/93/01/97/532930197.db2.gz OSNPPACZHLNWDD-CQSZACIVSA-N 1 2 381.274 2.379 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCCCNC1=O)c1ccc(Br)cc1 ZINC000368892223 532935068 /nfs/dbraw/zinc/93/50/68/532935068.db2.gz OXRCSEANPQXVPZ-DOMZBBRYSA-N 1 2 382.302 2.227 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCCCNC1=O)c1ccc(Br)cc1 ZINC000368892223 532935070 /nfs/dbraw/zinc/93/50/70/532935070.db2.gz OXRCSEANPQXVPZ-DOMZBBRYSA-N 1 2 382.302 2.227 20 0 GEADLO Cn1cc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(C(F)(F)F)n1 ZINC000293883239 532933038 /nfs/dbraw/zinc/93/30/38/532933038.db2.gz BMSUJWJZSMPENQ-JTQLQIEISA-N 1 2 382.433 2.082 20 0 GEADLO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369174179 532937281 /nfs/dbraw/zinc/93/72/81/532937281.db2.gz MHOLLKBJYKDRBT-GFCCVEGCSA-N 1 2 391.280 2.246 20 0 GEADLO COC(=O)[C@H](NC[C@]1([NH+]2CCOCC2)CCSC1)c1cccc(Cl)c1 ZINC000369404094 532939412 /nfs/dbraw/zinc/93/94/12/532939412.db2.gz OTWSSBUEELERPH-SJLPKXTDSA-N 1 2 384.929 2.352 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(-c2cc[nH]n2)s1 ZINC000370263479 532942740 /nfs/dbraw/zinc/94/27/40/532942740.db2.gz YBPMQEUURFVQOQ-KRWDZBQOSA-N 1 2 378.523 2.076 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370340030 532942873 /nfs/dbraw/zinc/94/28/73/532942873.db2.gz JWWFVQOBYNVNKC-IUCAKERBSA-N 1 2 397.298 2.026 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370340030 532942874 /nfs/dbraw/zinc/94/28/74/532942874.db2.gz JWWFVQOBYNVNKC-IUCAKERBSA-N 1 2 397.298 2.026 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)[nH+]cc2C)s1 ZINC000370341992 532942959 /nfs/dbraw/zinc/94/29/59/532942959.db2.gz RXPGLOZBNFQUTB-OAHLLOKOSA-N 1 2 379.507 2.282 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000370342831 532942990 /nfs/dbraw/zinc/94/29/90/532942990.db2.gz LUSSRWZXDQYJDI-NFAWXSAZSA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000370342831 532942991 /nfs/dbraw/zinc/94/29/91/532942991.db2.gz LUSSRWZXDQYJDI-NFAWXSAZSA-N 1 2 392.279 2.386 20 0 GEADLO O=C(Nc1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000370353999 532943129 /nfs/dbraw/zinc/94/31/29/532943129.db2.gz WCCQQBYGRYPOFO-OAHLLOKOSA-N 1 2 395.301 2.267 20 0 GEADLO O=C1OCC[C@@H]1CC[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000369702034 532940456 /nfs/dbraw/zinc/94/04/56/532940456.db2.gz HDQJWBXPUCUGSB-JTQLQIEISA-N 1 2 375.288 2.142 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000369738399 532940668 /nfs/dbraw/zinc/94/06/68/532940668.db2.gz XKQLQZIUHZZZJS-CYBMUJFWSA-N 1 2 381.885 2.253 20 0 GEADLO COCCCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000370822904 532945576 /nfs/dbraw/zinc/94/55/76/532945576.db2.gz CZSVWEVKZIIWIH-OAHLLOKOSA-N 1 2 398.301 2.005 20 0 GEADLO COCCCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000370822904 532945577 /nfs/dbraw/zinc/94/55/77/532945577.db2.gz CZSVWEVKZIIWIH-OAHLLOKOSA-N 1 2 398.301 2.005 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)Nc1ccc(Br)cn1 ZINC000370896693 532946042 /nfs/dbraw/zinc/94/60/42/532946042.db2.gz CBJWBYPJMQWRHW-AWEZNQCLSA-N 1 2 395.301 2.260 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)Nc1ccc(Br)cn1 ZINC000370896693 532946043 /nfs/dbraw/zinc/94/60/43/532946043.db2.gz CBJWBYPJMQWRHW-AWEZNQCLSA-N 1 2 395.301 2.260 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000370556645 532944159 /nfs/dbraw/zinc/94/41/59/532944159.db2.gz WCXVINCKGCMTMA-OAHLLOKOSA-N 1 2 381.416 2.248 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000370556645 532944160 /nfs/dbraw/zinc/94/41/60/532944160.db2.gz WCXVINCKGCMTMA-OAHLLOKOSA-N 1 2 381.416 2.248 20 0 GEADLO O=C(Cc1ccccc1I)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371362822 532947633 /nfs/dbraw/zinc/94/76/33/532947633.db2.gz XYNIELJPCVZLBT-LLVKDONJSA-N 1 2 381.217 2.231 20 0 GEADLO O=C(Cc1ccccc1I)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371362822 532947634 /nfs/dbraw/zinc/94/76/34/532947634.db2.gz XYNIELJPCVZLBT-LLVKDONJSA-N 1 2 381.217 2.231 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H]2c2cccc(Br)c2)CC1 ZINC000371711875 532949301 /nfs/dbraw/zinc/94/93/01/532949301.db2.gz WTUZRPQIZGMSDY-CXAGYDPISA-N 1 2 394.313 2.275 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H]2c2cccc(Br)c2)CC1 ZINC000371711875 532949302 /nfs/dbraw/zinc/94/93/02/532949302.db2.gz WTUZRPQIZGMSDY-CXAGYDPISA-N 1 2 394.313 2.275 20 0 GEADLO COc1cc(Br)ccc1C[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000371597891 532948971 /nfs/dbraw/zinc/94/89/71/532948971.db2.gz RBWQBWJIFNXFOV-CQSZACIVSA-N 1 2 389.315 2.114 20 0 GEADLO COc1cc(Br)ccc1C[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000371597891 532948972 /nfs/dbraw/zinc/94/89/72/532948972.db2.gz RBWQBWJIFNXFOV-CQSZACIVSA-N 1 2 389.315 2.114 20 0 GEADLO O=C(c1cnn2cccnc12)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275398387 570692251 /nfs/dbraw/zinc/69/22/51/570692251.db2.gz AZGACVZJGDVZKF-HNNXBMFYSA-N 1 2 378.436 2.018 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccccc1F ZINC000012575429 570875329 /nfs/dbraw/zinc/87/53/29/570875329.db2.gz HSAOSGHPJDNIMD-HXUWFJFHSA-N 1 2 394.406 2.190 20 0 GEADLO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738144248 599035749 /nfs/dbraw/zinc/03/57/49/599035749.db2.gz KJYQAWKFKDVUOR-QGZVFWFLSA-N 1 2 398.854 2.360 20 0 GEADLO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738144248 599035752 /nfs/dbraw/zinc/03/57/52/599035752.db2.gz KJYQAWKFKDVUOR-QGZVFWFLSA-N 1 2 398.854 2.360 20 0 GEADLO C[N@H+](CCOc1ccc(Cl)cc1)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736802473 599065600 /nfs/dbraw/zinc/06/56/00/599065600.db2.gz SSEBMGVDHZTMJR-INIZCTEOSA-N 1 2 386.843 2.057 20 0 GEADLO C[N@@H+](CCOc1ccc(Cl)cc1)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736802473 599065603 /nfs/dbraw/zinc/06/56/03/599065603.db2.gz SSEBMGVDHZTMJR-INIZCTEOSA-N 1 2 386.843 2.057 20 0 GEADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000737744310 599081413 /nfs/dbraw/zinc/08/14/13/599081413.db2.gz VPTWDVBUDGVFJO-SFHVURJKSA-N 1 2 396.426 2.076 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@H]1c1ccccc1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737883060 599081546 /nfs/dbraw/zinc/08/15/46/599081546.db2.gz CKCBVNZGXVZXGO-SFHVURJKSA-N 1 2 394.504 2.273 20 0 GEADLO O=C(C[N@H+]1CCSC[C@H]1c1ccccc1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737883060 599081549 /nfs/dbraw/zinc/08/15/49/599081549.db2.gz CKCBVNZGXVZXGO-SFHVURJKSA-N 1 2 394.504 2.273 20 0 GEADLO COc1cc(C)c([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000737039865 599091954 /nfs/dbraw/zinc/09/19/54/599091954.db2.gz LLCKWSZBXCNMBT-SGTLLEGYSA-N 1 2 396.451 2.070 20 0 GEADLO O=C(CSc1ccccc1-c1nn[nH]n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000737948361 599111061 /nfs/dbraw/zinc/11/10/61/599111061.db2.gz TYSWKQRLIFWICK-UHFFFAOYSA-N 1 2 394.504 2.303 20 0 GEADLO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000736198763 599140063 /nfs/dbraw/zinc/14/00/63/599140063.db2.gz UIOWUWWVPPXQSD-AWEZNQCLSA-N 1 2 380.427 2.411 20 0 GEADLO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000736198763 599140065 /nfs/dbraw/zinc/14/00/65/599140065.db2.gz UIOWUWWVPPXQSD-AWEZNQCLSA-N 1 2 380.427 2.411 20 0 GEADLO Cc1ccc(N2CCC(C(=O)NCc3cc(-c4nn[nH]n4)ccc3F)CC2)[nH+]c1 ZINC000822241132 599171747 /nfs/dbraw/zinc/17/17/47/599171747.db2.gz LYVKYKDLMVLUBQ-UHFFFAOYSA-N 1 2 395.442 2.242 20 0 GEADLO C[C@H](NC(=O)COc1cccc(-c2nn[nH]n2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820328723 599205931 /nfs/dbraw/zinc/20/59/31/599205931.db2.gz RPPNIVYLECQMCL-AWEZNQCLSA-N 1 2 389.419 2.309 20 0 GEADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000821207474 599215657 /nfs/dbraw/zinc/21/56/57/599215657.db2.gz NRDFHKQDGTVURZ-UHFFFAOYSA-N 1 2 392.467 2.035 20 0 GEADLO C[NH+]1CCC(CNC(=O)Nc2cccc(CC(=O)[O-])c2)([NH+]2CCCCC2)CC1 ZINC000818478129 597185534 /nfs/dbraw/zinc/18/55/34/597185534.db2.gz BTXMGVQSVZCHKE-UHFFFAOYSA-N 1 2 388.512 2.386 20 0 GEADLO CC(C)C(NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000820026351 607299752 /nfs/dbraw/zinc/29/97/52/607299752.db2.gz IOAGICAGKNOPSG-UHFFFAOYSA-N 1 2 385.516 2.375 20 0 GEADLO O=C(C[N@@H+]1CCS[C@H](c2ccccc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737884688 599271969 /nfs/dbraw/zinc/27/19/69/599271969.db2.gz PYKJNCAVPQAHQP-SFHVURJKSA-N 1 2 394.504 2.273 20 0 GEADLO O=C(C[N@H+]1CCS[C@H](c2ccccc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737884688 599271972 /nfs/dbraw/zinc/27/19/72/599271972.db2.gz PYKJNCAVPQAHQP-SFHVURJKSA-N 1 2 394.504 2.273 20 0 GEADLO CCc1nc(C2([NH2+]CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CCCC2)no1 ZINC000736700050 599291368 /nfs/dbraw/zinc/29/13/68/599291368.db2.gz OXUJXPPKDSJAKU-UHFFFAOYSA-N 1 2 396.455 2.200 20 0 GEADLO C[C@H](c1cccc(NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)c1)[NH+]1CCOCC1 ZINC000736199436 598234372 /nfs/dbraw/zinc/23/43/72/598234372.db2.gz OUDJWCVZOLZIAR-OAHLLOKOSA-N 1 2 392.463 2.441 20 0 GEADLO Clc1nsc(NCc2cccc(C[NH+]3CCOCC3)c2)c1-c1nn[nH]n1 ZINC000737584498 598239511 /nfs/dbraw/zinc/23/95/11/598239511.db2.gz QZNWTBSYEBTICY-UHFFFAOYSA-N 1 2 391.888 2.421 20 0 GEADLO O[C@H](C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1c(F)cccc1F ZINC000738383542 598252025 /nfs/dbraw/zinc/25/20/25/598252025.db2.gz VPFAZCCBTJSHNI-QGZVFWFLSA-N 1 2 386.406 2.001 20 0 GEADLO Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000737640108 598256748 /nfs/dbraw/zinc/25/67/48/598256748.db2.gz JUVBNNPAMOYARH-UHFFFAOYSA-N 1 2 396.426 2.099 20 0 GEADLO Clc1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nc1-c1nn[nH]n1 ZINC000737577120 598275055 /nfs/dbraw/zinc/27/50/55/598275055.db2.gz SPRLVSNKOVBYNW-UHFFFAOYSA-N 1 2 385.859 2.116 20 0 GEADLO Fc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000737639411 598365266 /nfs/dbraw/zinc/36/52/66/598365266.db2.gz QRQFCIBRIWLVBZ-UHFFFAOYSA-N 1 2 379.399 2.469 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000735733469 598384480 /nfs/dbraw/zinc/38/44/80/598384480.db2.gz AVJCLQULQVFOIX-GOSISDBHSA-N 1 2 395.467 2.119 20 0 GEADLO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000735733470 598384742 /nfs/dbraw/zinc/38/47/42/598384742.db2.gz AVJCLQULQVFOIX-SFHVURJKSA-N 1 2 395.467 2.119 20 0 GEADLO C[C@H]1C[N@H+](CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)CCCO1 ZINC000736284787 598462598 /nfs/dbraw/zinc/46/25/98/598462598.db2.gz GCZUTQDCXBCRBR-LBPRGKRZSA-N 1 2 390.513 2.246 20 0 GEADLO C[C@H]1C[N@@H+](CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)CCCO1 ZINC000736284787 598462599 /nfs/dbraw/zinc/46/25/99/598462599.db2.gz GCZUTQDCXBCRBR-LBPRGKRZSA-N 1 2 390.513 2.246 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738070578 598480715 /nfs/dbraw/zinc/48/07/15/598480715.db2.gz YDPUGKFNGRPAAP-UHFFFAOYSA-N 1 2 380.456 2.218 20 0 GEADLO CC1CCC2(CC(=O)N(C[N@H+](C)Cc3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736244127 598519690 /nfs/dbraw/zinc/51/96/90/598519690.db2.gz FBUPPBVVSFSKRJ-UHFFFAOYSA-N 1 2 382.468 2.211 20 0 GEADLO CC1CCC2(CC(=O)N(C[N@@H+](C)Cc3cccc(-c4nn[nH]n4)c3)C2=O)CC1 ZINC000736244127 598519692 /nfs/dbraw/zinc/51/96/92/598519692.db2.gz FBUPPBVVSFSKRJ-UHFFFAOYSA-N 1 2 382.468 2.211 20 0 GEADLO FC(F)Oc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CCc4cncnc4C3)c2c1 ZINC000737639055 598545512 /nfs/dbraw/zinc/54/55/12/598545512.db2.gz MBHFCXGDTRRPIJ-UHFFFAOYSA-N 1 2 396.361 2.369 20 0 GEADLO CCn1cnnc1C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736721182 598562035 /nfs/dbraw/zinc/56/20/35/598562035.db2.gz BZJWKCHNTCGLTO-UHFFFAOYSA-N 1 2 390.451 2.347 20 0 GEADLO COc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccc1C ZINC000737035380 598564624 /nfs/dbraw/zinc/56/46/24/598564624.db2.gz SGRKFGJQDMAZPB-UHFFFAOYSA-N 1 2 392.463 2.142 20 0 GEADLO Clc1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)nc1-c1nn[nH]n1 ZINC000737576196 598573707 /nfs/dbraw/zinc/57/37/07/598573707.db2.gz YHPCOPBUMZKMSA-OAHLLOKOSA-N 1 2 385.859 2.401 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737879575 598614589 /nfs/dbraw/zinc/61/45/89/598614589.db2.gz VVPRZLVMJPZBKI-MRXNPFEDSA-N 1 2 392.419 2.371 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737879575 598614590 /nfs/dbraw/zinc/61/45/90/598614590.db2.gz VVPRZLVMJPZBKI-MRXNPFEDSA-N 1 2 392.419 2.371 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)Nc1sccc1-c1nn[nH]n1 ZINC000737880072 598615119 /nfs/dbraw/zinc/61/51/19/598615119.db2.gz YGCGFUSFTZEOOB-CYBMUJFWSA-N 1 2 398.448 2.433 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)Nc1sccc1-c1nn[nH]n1 ZINC000737880072 598615120 /nfs/dbraw/zinc/61/51/20/598615120.db2.gz YGCGFUSFTZEOOB-CYBMUJFWSA-N 1 2 398.448 2.433 20 0 GEADLO c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000738435808 598668876 /nfs/dbraw/zinc/66/88/76/598668876.db2.gz AHSFKAXZUJSXIF-UHFFFAOYSA-N 1 2 399.462 2.409 20 0 GEADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737120503 598754406 /nfs/dbraw/zinc/75/44/06/598754406.db2.gz CIAKNJGWFFPARP-HNNXBMFYSA-N 1 2 392.463 2.394 20 0 GEADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737120856 598754650 /nfs/dbraw/zinc/75/46/50/598754650.db2.gz IAJBMOYBZDDBGO-HNNXBMFYSA-N 1 2 392.463 2.394 20 0 GEADLO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CCS[C@H](C)C1 ZINC000736293787 598766477 /nfs/dbraw/zinc/76/64/77/598766477.db2.gz VFOGPSUKTDDSCY-NXEZZACHSA-N 1 2 378.527 2.181 20 0 GEADLO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1CCS[C@H](C)C1 ZINC000736293787 598766479 /nfs/dbraw/zinc/76/64/79/598766479.db2.gz VFOGPSUKTDDSCY-NXEZZACHSA-N 1 2 378.527 2.181 20 0 GEADLO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000736196639 599317103 /nfs/dbraw/zinc/31/71/03/599317103.db2.gz LEALGAKSCLTCPG-OXJNMPFZSA-N 1 2 378.480 2.279 20 0 GEADLO CN1CC[N@H+](CCCNc2cccc(-c3nn[nH]n3)n2)[C@H](c2ccccc2)C1 ZINC000736865174 599406968 /nfs/dbraw/zinc/40/69/68/599406968.db2.gz WKNCTHHVKSUIQC-SFHVURJKSA-N 1 2 378.484 2.052 20 0 GEADLO CN1CC[N@@H+](CCCNc2cccc(-c3nn[nH]n3)n2)[C@H](c2ccccc2)C1 ZINC000736865174 599406969 /nfs/dbraw/zinc/40/69/69/599406969.db2.gz WKNCTHHVKSUIQC-SFHVURJKSA-N 1 2 378.484 2.052 20 0 GEADLO C[N@@H+]1CCN(CCCNc2cccc(-c3nn[nH]n3)n2)[C@H](c2ccccc2)C1 ZINC000736865174 599406970 /nfs/dbraw/zinc/40/69/70/599406970.db2.gz WKNCTHHVKSUIQC-SFHVURJKSA-N 1 2 378.484 2.052 20 0 GEADLO C[N@H+]1CCN(CCCNc2cccc(-c3nn[nH]n3)n2)[C@H](c2ccccc2)C1 ZINC000736865174 599406971 /nfs/dbraw/zinc/40/69/71/599406971.db2.gz WKNCTHHVKSUIQC-SFHVURJKSA-N 1 2 378.484 2.052 20 0 GEADLO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000822497227 599456928 /nfs/dbraw/zinc/45/69/28/599456928.db2.gz YVSCDHWGRWXUHU-UHFFFAOYSA-N 1 2 399.352 2.279 20 0 GEADLO Cc1cnn(C[C@H]2CN(c3c(-c4nn[nH]n4)c[nH+]c4c(C)cccc43)CCO2)c1 ZINC000822403073 599540158 /nfs/dbraw/zinc/54/01/58/599540158.db2.gz KDNNLNCSGXDPAV-OAHLLOKOSA-N 1 2 390.451 2.134 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@@H](Cn2cncn2)C1 ZINC000822331341 599547056 /nfs/dbraw/zinc/54/70/56/599547056.db2.gz FHOSPEDXLHSKHY-CQSZACIVSA-N 1 2 375.440 2.231 20 0 GEADLO COCc1nc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cs1 ZINC000821695905 599561979 /nfs/dbraw/zinc/56/19/79/599561979.db2.gz MWTQZQZHOFAOBG-UHFFFAOYSA-N 1 2 385.497 2.182 20 0 GEADLO COCc1nc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cs1 ZINC000821695905 599561982 /nfs/dbraw/zinc/56/19/82/599561982.db2.gz MWTQZQZHOFAOBG-UHFFFAOYSA-N 1 2 385.497 2.182 20 0 GEADLO C[N@H+](CCOc1ccccc1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821605171 599562492 /nfs/dbraw/zinc/56/24/92/599562492.db2.gz YBMALKCEAHUZDQ-UHFFFAOYSA-N 1 2 377.408 2.428 20 0 GEADLO C[N@@H+](CCOc1ccccc1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821605171 599562494 /nfs/dbraw/zinc/56/24/94/599562494.db2.gz YBMALKCEAHUZDQ-UHFFFAOYSA-N 1 2 377.408 2.428 20 0 GEADLO CN1CC[N@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)Cc2ccccc21 ZINC000821627243 599571680 /nfs/dbraw/zinc/57/16/80/599571680.db2.gz STMVIPVZQOKCFL-UHFFFAOYSA-N 1 2 388.435 2.369 20 0 GEADLO CN1CC[N@@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)Cc2ccccc21 ZINC000821627243 599571682 /nfs/dbraw/zinc/57/16/82/599571682.db2.gz STMVIPVZQOKCFL-UHFFFAOYSA-N 1 2 388.435 2.369 20 0 GEADLO COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000737003105 599612210 /nfs/dbraw/zinc/61/22/10/599612210.db2.gz SRTYKKQCFUZSHI-UHFFFAOYSA-N 1 2 392.423 2.195 20 0 GEADLO C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000736214010 600093871 /nfs/dbraw/zinc/09/38/71/600093871.db2.gz HXOYXZQJUNGQOI-WBVHZDCISA-N 1 2 382.464 2.219 20 0 GEADLO C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000736214010 600093874 /nfs/dbraw/zinc/09/38/74/600093874.db2.gz HXOYXZQJUNGQOI-WBVHZDCISA-N 1 2 382.464 2.219 20 0 GEADLO CCCc1c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]c(C)c1C(=O)[O-] ZINC000737041339 600429741 /nfs/dbraw/zinc/42/97/41/600429741.db2.gz LRHKSXJHDYCYLG-INIZCTEOSA-N 1 2 390.528 2.214 20 0 GEADLO CCCc1c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]c(C)c1C(=O)[O-] ZINC000737041339 600429743 /nfs/dbraw/zinc/42/97/43/600429743.db2.gz LRHKSXJHDYCYLG-INIZCTEOSA-N 1 2 390.528 2.214 20 0 GEADLO C[C@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736663180 600522440 /nfs/dbraw/zinc/52/24/40/600522440.db2.gz VWCHYXPATAYSFR-YOEHRIQHSA-N 1 2 398.507 2.488 20 0 GEADLO C[C@@H]1C[C@H]([NH+](C)CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CC[N@@H+]1C ZINC000736759752 600967434 /nfs/dbraw/zinc/96/74/34/600967434.db2.gz KFAHSAACPLYEKZ-IDHHARJASA-N 1 2 386.496 2.136 20 0 GEADLO C[C@@H]1C[C@H]([NH+](C)CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CC[N@H+]1C ZINC000736759752 600967436 /nfs/dbraw/zinc/96/74/36/600967436.db2.gz KFAHSAACPLYEKZ-IDHHARJASA-N 1 2 386.496 2.136 20 0 GEADLO C[C@@H]1C[C@H]([N@H+](C)CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CC[NH+]1C ZINC000736759752 600967438 /nfs/dbraw/zinc/96/74/38/600967438.db2.gz KFAHSAACPLYEKZ-IDHHARJASA-N 1 2 386.496 2.136 20 0 GEADLO C[C@@H]1C[C@H]([N@@H+](C)CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CC[NH+]1C ZINC000736759752 600967440 /nfs/dbraw/zinc/96/74/40/600967440.db2.gz KFAHSAACPLYEKZ-IDHHARJASA-N 1 2 386.496 2.136 20 0 GEADLO O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826473566 607489176 /nfs/dbraw/zinc/48/91/76/607489176.db2.gz CWNJKHIERIUWTF-UHFFFAOYSA-N 1 2 397.870 2.263 20 0 GEADLO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826473566 607489179 /nfs/dbraw/zinc/48/91/79/607489179.db2.gz CWNJKHIERIUWTF-UHFFFAOYSA-N 1 2 397.870 2.263 20 0 GEADLO COc1cccc([C@@H](C)[NH+]2CCN(Cc3ccnc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826214291 607494700 /nfs/dbraw/zinc/49/47/00/607494700.db2.gz HDSCVHSGWKNYAF-OAHLLOKOSA-N 1 2 379.468 2.149 20 0 GEADLO CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000827027346 601348933 /nfs/dbraw/zinc/34/89/33/601348933.db2.gz IUXGFNPQKBEGRC-INIZCTEOSA-N 1 2 395.525 2.031 20 0 GEADLO Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000832914899 601349235 /nfs/dbraw/zinc/34/92/35/601349235.db2.gz HCGKJCYJICKYRK-MRXNPFEDSA-N 1 2 391.512 2.499 20 0 GEADLO CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000830908460 601381471 /nfs/dbraw/zinc/38/14/71/601381471.db2.gz WGLXCYKLBZWBRS-QAPCUYQASA-N 1 2 395.463 2.324 20 0 GEADLO CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000830908460 601381472 /nfs/dbraw/zinc/38/14/72/601381472.db2.gz WGLXCYKLBZWBRS-QAPCUYQASA-N 1 2 395.463 2.324 20 0 GEADLO Cc1ccc(NC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)c(N(C)C)[nH+]1 ZINC000826291120 607562137 /nfs/dbraw/zinc/56/21/37/607562137.db2.gz QBDZORARGCNSQO-UHFFFAOYSA-N 1 2 378.440 2.447 20 0 GEADLO COc1ccc(COC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000826204158 607606839 /nfs/dbraw/zinc/60/68/39/607606839.db2.gz ABZQYQKCMVPOMJ-AWEZNQCLSA-N 1 2 381.436 2.439 20 0 GEADLO COc1ccc(COC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000826204158 607606842 /nfs/dbraw/zinc/60/68/42/607606842.db2.gz ABZQYQKCMVPOMJ-AWEZNQCLSA-N 1 2 381.436 2.439 20 0 GEADLO Cc1cccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c1-c1nn[nH]n1 ZINC000826304688 607620457 /nfs/dbraw/zinc/62/04/57/607620457.db2.gz UUHHLJOHTPBLIQ-UHFFFAOYSA-N 1 2 382.405 2.129 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000826250429 607670711 /nfs/dbraw/zinc/67/07/11/607670711.db2.gz APVGMXYNPPOQQT-UHFFFAOYSA-N 1 2 378.436 2.260 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+]C3(C(=O)[O-])CCCC3)CC2)cc1 ZINC000833510365 604475255 /nfs/dbraw/zinc/47/52/55/604475255.db2.gz SYDUFKZMACWLGQ-UHFFFAOYSA-N 1 2 387.524 2.441 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H](C)O1 ZINC000824992048 607699544 /nfs/dbraw/zinc/69/95/44/607699544.db2.gz JFWCNWZYKASJRQ-BETUJISGSA-N 1 2 381.440 2.056 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H](C)O1 ZINC000824992048 607699545 /nfs/dbraw/zinc/69/95/45/607699545.db2.gz JFWCNWZYKASJRQ-BETUJISGSA-N 1 2 381.440 2.056 20 0 GEADLO CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000830327525 604756466 /nfs/dbraw/zinc/75/64/66/604756466.db2.gz FABMZKPJTZSAKG-RTBURBONSA-N 1 2 396.491 2.121 20 0 GEADLO CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000830327525 604756471 /nfs/dbraw/zinc/75/64/71/604756471.db2.gz FABMZKPJTZSAKG-RTBURBONSA-N 1 2 396.491 2.121 20 0 GEADLO C[C@H](Oc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833540507 605112401 /nfs/dbraw/zinc/11/24/01/605112401.db2.gz LJZMRUYRJDSMPF-HTAPYJJXSA-N 1 2 384.476 2.265 20 0 GEADLO C[C@H](Oc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833540507 605112402 /nfs/dbraw/zinc/11/24/02/605112402.db2.gz LJZMRUYRJDSMPF-HTAPYJJXSA-N 1 2 384.476 2.265 20 0 GEADLO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000833627754 605135095 /nfs/dbraw/zinc/13/50/95/605135095.db2.gz ZQHRZSZSVTUCHT-WMLDXEAASA-N 1 2 396.919 2.133 20 0 GEADLO C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000833627754 605135097 /nfs/dbraw/zinc/13/50/97/605135097.db2.gz ZQHRZSZSVTUCHT-WMLDXEAASA-N 1 2 396.919 2.133 20 0 GEADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c(C)c1 ZINC000826284181 607757157 /nfs/dbraw/zinc/75/71/57/607757157.db2.gz MJAXQEFDVIKWAU-KRWDZBQOSA-N 1 2 376.424 2.179 20 0 GEADLO O=C(NCC1(C2CC2)CCC1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826433401 607762440 /nfs/dbraw/zinc/76/24/40/607762440.db2.gz FHFBIWFZGBTIIR-UHFFFAOYSA-N 1 2 395.511 2.274 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[NH+](Cc2cccs2)CC1 ZINC000445246382 649959338 /nfs/dbraw/zinc/95/93/38/649959338.db2.gz DQVLUWLNJQQXFI-UHFFFAOYSA-N 1 2 396.310 2.498 20 0 GEADLO C[C@@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000833817476 605678521 /nfs/dbraw/zinc/67/85/21/605678521.db2.gz HFZMQSWOBLJXET-UZLBHIALSA-N 1 2 390.528 2.074 20 0 GEADLO C[C@@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000833817476 605678523 /nfs/dbraw/zinc/67/85/23/605678523.db2.gz HFZMQSWOBLJXET-UZLBHIALSA-N 1 2 390.528 2.074 20 0 GEADLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC000822993707 606018819 /nfs/dbraw/zinc/01/88/19/606018819.db2.gz WKMBGUCKNBHOIJ-UHFFFAOYSA-N 1 2 399.458 2.325 20 0 GEADLO O=C(CN1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822998014 606079048 /nfs/dbraw/zinc/07/90/48/606079048.db2.gz YPXLNGRBIKHTJC-NSHDSACASA-N 1 2 386.847 2.061 20 0 GEADLO CC[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1C ZINC000821215770 606186221 /nfs/dbraw/zinc/18/62/21/606186221.db2.gz UNERQIJCZVTCRP-UHFFFAOYSA-N 1 2 385.493 2.471 20 0 GEADLO CC[N@@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1C ZINC000821215770 606186223 /nfs/dbraw/zinc/18/62/23/606186223.db2.gz UNERQIJCZVTCRP-UHFFFAOYSA-N 1 2 385.493 2.471 20 0 GEADLO C[C@H](c1ccccn1)[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000820571030 606199887 /nfs/dbraw/zinc/19/98/87/606199887.db2.gz UWBIWUIUEFPBGZ-CYBMUJFWSA-N 1 2 392.423 2.393 20 0 GEADLO C[C@H](C(=O)OCCOc1ccccc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000819884179 606226571 /nfs/dbraw/zinc/22/65/71/606226571.db2.gz SUNPGUVXKOSJEB-OAHLLOKOSA-N 1 2 381.436 2.309 20 0 GEADLO C[C@H](C(=O)OCCOc1ccccc1-c1nn[nH]n1)[N@@H+](C)Cc1ccccc1 ZINC000819884179 606226574 /nfs/dbraw/zinc/22/65/74/606226574.db2.gz SUNPGUVXKOSJEB-OAHLLOKOSA-N 1 2 381.436 2.309 20 0 GEADLO O=C([C@H]1C[C@H]1C1CC1)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822916768 606239556 /nfs/dbraw/zinc/23/95/56/606239556.db2.gz CTRDURIQWARWAV-HOTGVXAUSA-N 1 2 389.463 2.110 20 0 GEADLO Cc1cccc2c(NCC(=O)Nc3ccc(F)c(F)c3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822334225 606448768 /nfs/dbraw/zinc/44/87/68/606448768.db2.gz AAZAFWZHSNXRQD-UHFFFAOYSA-N 1 2 395.373 2.474 20 0 GEADLO C[C@H]1CN=C(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)S1 ZINC000820803781 606468181 /nfs/dbraw/zinc/46/81/81/606468181.db2.gz HCOCNZSJSCXSPF-LBPRGKRZSA-N 1 2 380.481 2.028 20 0 GEADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821169962 606490555 /nfs/dbraw/zinc/49/05/55/606490555.db2.gz JRKNYZGHDVHEQD-CQSZACIVSA-N 1 2 394.426 2.301 20 0 GEADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821169962 606490557 /nfs/dbraw/zinc/49/05/57/606490557.db2.gz JRKNYZGHDVHEQD-CQSZACIVSA-N 1 2 394.426 2.301 20 0 GEADLO O=C(Cc1cccc(-c2nn[nH]n2)c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000823098225 606535031 /nfs/dbraw/zinc/53/50/31/606535031.db2.gz LZXLVSCUDYECLX-UHFFFAOYSA-N 1 2 377.383 2.050 20 0 GEADLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000823713005 606789243 /nfs/dbraw/zinc/78/92/43/606789243.db2.gz BHXZNVGJFIWCDY-QGZVFWFLSA-N 1 2 389.419 2.008 20 0 GEADLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000823713005 606789245 /nfs/dbraw/zinc/78/92/45/606789245.db2.gz BHXZNVGJFIWCDY-QGZVFWFLSA-N 1 2 389.419 2.008 20 0 GEADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821594005 606883796 /nfs/dbraw/zinc/88/37/96/606883796.db2.gz TXVMWZPNDACAQP-MRXNPFEDSA-N 1 2 386.843 2.124 20 0 GEADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821594005 606883797 /nfs/dbraw/zinc/88/37/97/606883797.db2.gz TXVMWZPNDACAQP-MRXNPFEDSA-N 1 2 386.843 2.124 20 0 GEADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000823673355 606915510 /nfs/dbraw/zinc/91/55/10/606915510.db2.gz LGYAHXFGBXITNN-HKUYNNGSSA-N 1 2 383.427 2.330 20 0 GEADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000823673355 606915511 /nfs/dbraw/zinc/91/55/11/606915511.db2.gz LGYAHXFGBXITNN-HKUYNNGSSA-N 1 2 383.427 2.330 20 0 GEADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1)c1ccco1 ZINC000823674816 606916550 /nfs/dbraw/zinc/91/65/50/606916550.db2.gz RXPHLHIQTJSTIY-RDJZCZTQSA-N 1 2 394.435 2.037 20 0 GEADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1)c1ccco1 ZINC000823674816 606916551 /nfs/dbraw/zinc/91/65/51/606916551.db2.gz RXPHLHIQTJSTIY-RDJZCZTQSA-N 1 2 394.435 2.037 20 0 GEADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821602714 606974174 /nfs/dbraw/zinc/97/41/74/606974174.db2.gz PUZARMQPQWWPAI-UHFFFAOYSA-N 1 2 395.486 2.260 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@H](c2ccsc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822969711 606982617 /nfs/dbraw/zinc/98/26/17/606982617.db2.gz YFSYKWVSWUMHBM-INIZCTEOSA-N 1 2 384.465 2.330 20 0 GEADLO O=C(CC[N@H+]1CCO[C@H](c2ccsc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822969711 606982618 /nfs/dbraw/zinc/98/26/18/606982618.db2.gz YFSYKWVSWUMHBM-INIZCTEOSA-N 1 2 384.465 2.330 20 0 GEADLO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000819991565 607016523 /nfs/dbraw/zinc/01/65/23/607016523.db2.gz IVLVFEOQXOZLGE-UHFFFAOYSA-N 1 2 381.440 2.153 20 0 GEADLO CC(C)c1nnc(NC(=O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)s1 ZINC000820206466 607101332 /nfs/dbraw/zinc/10/13/32/607101332.db2.gz LYSKCGODMZDOBD-UHFFFAOYSA-N 1 2 398.496 2.445 20 0 GEADLO CC(C)c1nnc(NC(=O)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)s1 ZINC000820206466 607101333 /nfs/dbraw/zinc/10/13/33/607101333.db2.gz LYSKCGODMZDOBD-UHFFFAOYSA-N 1 2 398.496 2.445 20 0 GEADLO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000823314201 607203171 /nfs/dbraw/zinc/20/31/71/607203171.db2.gz OKHYUWYPMAOMJC-UHFFFAOYSA-N 1 2 384.831 2.269 20 0 GEADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823257120 607233025 /nfs/dbraw/zinc/23/30/25/607233025.db2.gz ASLNZHNTAGJVLW-UHFFFAOYSA-N 1 2 394.826 2.090 20 0 GEADLO FC(F)(F)c1ccc(-c2nn[nH]n2)c(N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000826368062 607810546 /nfs/dbraw/zinc/81/05/46/607810546.db2.gz AGRIQXJUORUVPQ-SNVBAGLBSA-N 1 2 376.346 2.366 20 0 GEADLO CC(C)CC1CC[NH+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824244489 607829580 /nfs/dbraw/zinc/82/95/80/607829580.db2.gz RWEGZEYIFUNXTD-UHFFFAOYSA-N 1 2 377.514 2.399 20 0 GEADLO CN1C(=O)C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826010728 607853524 /nfs/dbraw/zinc/85/35/24/607853524.db2.gz PMMXQQMGZZZYMS-XJKSGUPXSA-N 1 2 390.806 2.314 20 0 GEADLO CCOCC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2Br)C[C@@H]1C ZINC000825599852 607990236 /nfs/dbraw/zinc/99/02/36/607990236.db2.gz SNABBDUJQFJAPY-LBPRGKRZSA-N 1 2 395.305 2.176 20 0 GEADLO CCOCC[N@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2Br)C[C@@H]1C ZINC000825599852 607990237 /nfs/dbraw/zinc/99/02/37/607990237.db2.gz SNABBDUJQFJAPY-LBPRGKRZSA-N 1 2 395.305 2.176 20 0 GEADLO CC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C[C@H]1O ZINC000825210372 608017882 /nfs/dbraw/zinc/01/78/82/608017882.db2.gz GTWZWDYAKYQODU-YMTOWFKASA-N 1 2 376.367 2.223 20 0 GEADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000736290120 608065161 /nfs/dbraw/zinc/06/51/61/608065161.db2.gz HGAQVMIWOCVMGY-CQSZACIVSA-N 1 2 388.472 2.187 20 0 GEADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000736290120 608065162 /nfs/dbraw/zinc/06/51/62/608065162.db2.gz HGAQVMIWOCVMGY-CQSZACIVSA-N 1 2 388.472 2.187 20 0 GEADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736291878 608065233 /nfs/dbraw/zinc/06/52/33/608065233.db2.gz NJYYNPGRSCRNLH-GFCCVEGCSA-N 1 2 376.436 2.447 20 0 GEADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736291878 608065234 /nfs/dbraw/zinc/06/52/34/608065234.db2.gz NJYYNPGRSCRNLH-GFCCVEGCSA-N 1 2 376.436 2.447 20 0 GEADLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000824005311 608069478 /nfs/dbraw/zinc/06/94/78/608069478.db2.gz NKZLMMDEHMURLW-LJQANCHMSA-N 1 2 378.436 2.399 20 0 GEADLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000824005311 608069479 /nfs/dbraw/zinc/06/94/79/608069479.db2.gz NKZLMMDEHMURLW-LJQANCHMSA-N 1 2 378.436 2.399 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ncccc2-c2nn[nH]n2)c2ccc(Cl)cc2)C1 ZINC000826044619 608235258 /nfs/dbraw/zinc/23/52/58/608235258.db2.gz IJOSAPNGDRBZJT-HZPDHXFCSA-N 1 2 385.859 2.399 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@H](Nc2ncccc2-c2nn[nH]n2)c2ccc(Cl)cc2)C1 ZINC000826044619 608235260 /nfs/dbraw/zinc/23/52/60/608235260.db2.gz IJOSAPNGDRBZJT-HZPDHXFCSA-N 1 2 385.859 2.399 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](Nc2cccc(-c3nn[nH]n3)n2)c2ccc(Cl)cc2)C1 ZINC000826045101 608235297 /nfs/dbraw/zinc/23/52/97/608235297.db2.gz PFRJMNLIOKYXEC-RDJZCZTQSA-N 1 2 385.859 2.399 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](Nc2cccc(-c3nn[nH]n3)n2)c2ccc(Cl)cc2)C1 ZINC000826045101 608235298 /nfs/dbraw/zinc/23/52/98/608235298.db2.gz PFRJMNLIOKYXEC-RDJZCZTQSA-N 1 2 385.859 2.399 20 0 GEADLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000826333901 608267183 /nfs/dbraw/zinc/26/71/83/608267183.db2.gz YYLTYRZQDOCTOR-GOSISDBHSA-N 1 2 397.483 2.059 20 0 GEADLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000826333901 608267185 /nfs/dbraw/zinc/26/71/85/608267185.db2.gz YYLTYRZQDOCTOR-GOSISDBHSA-N 1 2 397.483 2.059 20 0 GEADLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000826333666 608315761 /nfs/dbraw/zinc/31/57/61/608315761.db2.gz QHZCKFSIHBLJEF-UHFFFAOYSA-N 1 2 391.483 2.343 20 0 GEADLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000826333666 608315763 /nfs/dbraw/zinc/31/57/63/608315763.db2.gz QHZCKFSIHBLJEF-UHFFFAOYSA-N 1 2 391.483 2.343 20 0 GEADLO CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1OC)C1CN(C(=O)OC(C)(C)C)C1 ZINC000825429258 608373770 /nfs/dbraw/zinc/37/37/70/608373770.db2.gz ZSWWEUVZZDFDDZ-UHFFFAOYSA-N 1 2 388.472 2.317 20 0 GEADLO CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1OC)C1CN(C(=O)OC(C)(C)C)C1 ZINC000825429258 608373771 /nfs/dbraw/zinc/37/37/71/608373771.db2.gz ZSWWEUVZZDFDDZ-UHFFFAOYSA-N 1 2 388.472 2.317 20 0 GEADLO O=C(C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)Nc1ccc(O)cc1 ZINC000826410270 608462748 /nfs/dbraw/zinc/46/27/48/608462748.db2.gz IQHOWLPIRQOKQE-UHFFFAOYSA-N 1 2 376.420 2.300 20 0 GEADLO O=C(C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)Nc1ccc(O)cc1 ZINC000826410270 608462750 /nfs/dbraw/zinc/46/27/50/608462750.db2.gz IQHOWLPIRQOKQE-UHFFFAOYSA-N 1 2 376.420 2.300 20 0 GEADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826296581 608492964 /nfs/dbraw/zinc/49/29/64/608492964.db2.gz BLYAGHSXBLCIOK-CQSZACIVSA-N 1 2 375.440 2.310 20 0 GEADLO COc1ccc(F)cc1CN1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826208965 608505574 /nfs/dbraw/zinc/50/55/74/608505574.db2.gz HTOCVHICHDOFET-UHFFFAOYSA-N 1 2 388.472 2.394 20 0 GEADLO c1nc(C2CCC2)sc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826517144 608517854 /nfs/dbraw/zinc/51/78/54/608517854.db2.gz SFEYSSXXCYIAQL-UHFFFAOYSA-N 1 2 382.497 2.308 20 0 GEADLO Fc1cccc(N2CC[NH+](Cc3[nH]nc4ccccc43)CC2)c1-c1nn[nH]n1 ZINC000826377445 608596217 /nfs/dbraw/zinc/59/62/17/608596217.db2.gz SDLWSZYFUYEOFN-UHFFFAOYSA-N 1 2 378.415 2.204 20 0 GEADLO Cc1ccc2[nH+]cc(CN3CCN(c4ccc(-c5nn[nH]n5)cc4F)CC3)n2c1 ZINC000826295521 608639988 /nfs/dbraw/zinc/63/99/88/608639988.db2.gz KQPYIDDUMLFBIF-UHFFFAOYSA-N 1 2 392.442 2.284 20 0 GEADLO c1cc2ncnc(N3CC[NH+](Cc4ccc(-c5nn[nH]n5)s4)CC3)c2s1 ZINC000826526983 608696445 /nfs/dbraw/zinc/69/64/45/608696445.db2.gz UREOOEQRYBNEPV-UHFFFAOYSA-N 1 2 384.494 2.255 20 0 GEADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CCO1 ZINC000826306792 608709987 /nfs/dbraw/zinc/70/99/87/608709987.db2.gz LJBXEDFJHULKFX-GOSISDBHSA-N 1 2 375.436 2.396 20 0 GEADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CCO1 ZINC000826306792 608709991 /nfs/dbraw/zinc/70/99/91/608709991.db2.gz LJBXEDFJHULKFX-GOSISDBHSA-N 1 2 375.436 2.396 20 0 GEADLO COC[C@H]1C[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCO1 ZINC000826153777 608714745 /nfs/dbraw/zinc/71/47/45/608714745.db2.gz ZRIOXWRXWBHXCD-HXUWFJFHSA-N 1 2 395.463 2.293 20 0 GEADLO COC[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCO1 ZINC000826153777 608714747 /nfs/dbraw/zinc/71/47/47/608714747.db2.gz ZRIOXWRXWBHXCD-HXUWFJFHSA-N 1 2 395.463 2.293 20 0 GEADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824764490 608750222 /nfs/dbraw/zinc/75/02/22/608750222.db2.gz WPDPYPJJPMWENZ-QYSRSOONSA-N 1 2 395.492 2.445 20 0 GEADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824764490 608750224 /nfs/dbraw/zinc/75/02/24/608750224.db2.gz WPDPYPJJPMWENZ-QYSRSOONSA-N 1 2 395.492 2.445 20 0 GEADLO O=C(CCCC(F)(F)F)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826405635 608884692 /nfs/dbraw/zinc/88/46/92/608884692.db2.gz NDFLCRUJAJXTKM-UHFFFAOYSA-N 1 2 382.390 2.244 20 0 GEADLO CC[NH+](CC)[C@@H](C(=O)OCCNc1ncccc1-c1nn[nH]n1)c1ccccc1 ZINC000825406929 609263875 /nfs/dbraw/zinc/26/38/75/609263875.db2.gz VGSXEQGUZZNMBU-QGZVFWFLSA-N 1 2 395.467 2.300 20 0 GEADLO O[C@@H](C[N@H+](Cc1ccccc1)Cc1ccnc(-c2nn[nH]n2)c1)C(F)(F)F ZINC000826503092 609296510 /nfs/dbraw/zinc/29/65/10/609296510.db2.gz QIFZXHPOMXEDHI-HNNXBMFYSA-N 1 2 378.358 2.187 20 0 GEADLO O[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccnc(-c2nn[nH]n2)c1)C(F)(F)F ZINC000826503092 609296512 /nfs/dbraw/zinc/29/65/12/609296512.db2.gz QIFZXHPOMXEDHI-HNNXBMFYSA-N 1 2 378.358 2.187 20 0 GEADLO FC(F)O[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000826369983 609299374 /nfs/dbraw/zinc/29/93/74/609299374.db2.gz YLFDYEKGHHOGFK-LBPRGKRZSA-N 1 2 377.355 2.120 20 0 GEADLO FC(F)O[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000826369983 609299376 /nfs/dbraw/zinc/29/93/76/609299376.db2.gz YLFDYEKGHHOGFK-LBPRGKRZSA-N 1 2 377.355 2.120 20 0 GEADLO c1nc2c(n1-c1ccccc1)CC[N@@H+](CCOc1cccc(-c3nn[nH]n3)c1)C2 ZINC000826520070 609369975 /nfs/dbraw/zinc/36/99/75/609369975.db2.gz ZKJQSEHJNHEQLZ-UHFFFAOYSA-N 1 2 387.447 2.490 20 0 GEADLO c1nc2c(n1-c1ccccc1)CC[N@H+](CCOc1cccc(-c3nn[nH]n3)c1)C2 ZINC000826520070 609369977 /nfs/dbraw/zinc/36/99/77/609369977.db2.gz ZKJQSEHJNHEQLZ-UHFFFAOYSA-N 1 2 387.447 2.490 20 0 GEADLO Cc1nc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cs1 ZINC000826323824 609415199 /nfs/dbraw/zinc/41/51/99/609415199.db2.gz TWQAJKMKBPPTQP-XHDPSFHLSA-N 1 2 383.481 2.478 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ncc1Br ZINC000446675370 649986653 /nfs/dbraw/zinc/98/66/53/649986653.db2.gz HZNIJOYYCPENBI-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000447397196 650006244 /nfs/dbraw/zinc/00/62/44/650006244.db2.gz ZDEWOPVQEZJVPJ-TZMCWYRMSA-N 1 2 398.301 2.171 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000447397196 650006245 /nfs/dbraw/zinc/00/62/45/650006245.db2.gz ZDEWOPVQEZJVPJ-TZMCWYRMSA-N 1 2 398.301 2.171 20 0 GEADLO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H]3CSC[NH2+]3)sc2C)s1 ZINC000447491046 650006885 /nfs/dbraw/zinc/00/68/85/650006885.db2.gz VMQUWDABNUKZKH-NSHDSACASA-N 1 2 382.536 2.417 20 0 GEADLO Cc1nn(C)c(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c1Br ZINC000447945772 650011756 /nfs/dbraw/zinc/01/17/56/650011756.db2.gz XWWNCROGWFVWGI-UHFFFAOYSA-N 1 2 387.303 2.152 20 0 GEADLO COc1cc(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1Cl ZINC000448775635 650021376 /nfs/dbraw/zinc/02/13/76/650021376.db2.gz SKLBNYDEQHHRRB-SFHVURJKSA-N 1 2 384.929 2.215 20 0 GEADLO COc1nccnc1C[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000449252839 650035629 /nfs/dbraw/zinc/03/56/29/650035629.db2.gz TWUAVBCFTCJCPR-AWEZNQCLSA-N 1 2 391.269 2.451 20 0 GEADLO CC(C)c1nc(C[N@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cs1 ZINC000449422626 650040763 /nfs/dbraw/zinc/04/07/63/650040763.db2.gz MCCRHRQRUBMMTC-UHFFFAOYSA-N 1 2 382.555 2.482 20 0 GEADLO CC(C)c1nc(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cs1 ZINC000449422626 650040768 /nfs/dbraw/zinc/04/07/68/650040768.db2.gz MCCRHRQRUBMMTC-UHFFFAOYSA-N 1 2 382.555 2.482 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000449770405 650049715 /nfs/dbraw/zinc/04/97/15/650049715.db2.gz IROKZWXBNAOJEK-MRXNPFEDSA-N 1 2 393.285 2.019 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000449770405 650049719 /nfs/dbraw/zinc/04/97/19/650049719.db2.gz IROKZWXBNAOJEK-MRXNPFEDSA-N 1 2 393.285 2.019 20 0 GEADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc2ccc(Br)cc2s1 ZINC000450186510 650061751 /nfs/dbraw/zinc/06/17/51/650061751.db2.gz MEWJMYWKEKEDBP-ZDUSSCGKSA-N 1 2 380.311 2.393 20 0 GEADLO O=C(CCC[N@@H+]1CCO[C@H](Cn2cncn2)C1)c1ccc(Br)cc1 ZINC000450378770 650064581 /nfs/dbraw/zinc/06/45/81/650064581.db2.gz NZBGPABKIMVKIP-INIZCTEOSA-N 1 2 393.285 2.405 20 0 GEADLO O=C(CCC[N@H+]1CCO[C@H](Cn2cncn2)C1)c1ccc(Br)cc1 ZINC000450378770 650064582 /nfs/dbraw/zinc/06/45/82/650064582.db2.gz NZBGPABKIMVKIP-INIZCTEOSA-N 1 2 393.285 2.405 20 0 GEADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)c2ccc(I)cn2)C1 ZINC000450462012 650065348 /nfs/dbraw/zinc/06/53/48/650065348.db2.gz DJOFCHPOEJQBAE-AWEZNQCLSA-N 1 2 387.265 2.233 20 0 GEADLO C[N@H+]1CCO[C@H](CN(CC2CC2)c2ccc(I)cn2)C1 ZINC000450462012 650065351 /nfs/dbraw/zinc/06/53/51/650065351.db2.gz DJOFCHPOEJQBAE-AWEZNQCLSA-N 1 2 387.265 2.233 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1Cl ZINC000450500173 650066123 /nfs/dbraw/zinc/06/61/23/650066123.db2.gz MJKYIAISLWUKRX-AWEZNQCLSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1Cl ZINC000450500173 650066126 /nfs/dbraw/zinc/06/61/26/650066126.db2.gz MJKYIAISLWUKRX-AWEZNQCLSA-N 1 2 386.901 2.127 20 0 GEADLO O=C1N=NC([C@H]2CCC[N@@H+](C[C@H](O)COc3cccc(Br)c3)C2)O1 ZINC000450898207 650074750 /nfs/dbraw/zinc/07/47/50/650074750.db2.gz BDHRTEZSUDKHIT-AAEUAGOBSA-N 1 2 398.257 2.157 20 0 GEADLO O=C1N=NC([C@H]2CCC[N@H+](C[C@H](O)COc3cccc(Br)c3)C2)O1 ZINC000450898207 650074754 /nfs/dbraw/zinc/07/47/54/650074754.db2.gz BDHRTEZSUDKHIT-AAEUAGOBSA-N 1 2 398.257 2.157 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@H](O)COc3cccc(Br)c3)C2)o1 ZINC000450898207 650074758 /nfs/dbraw/zinc/07/47/58/650074758.db2.gz BDHRTEZSUDKHIT-AAEUAGOBSA-N 1 2 398.257 2.157 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@H](O)COc3cccc(Br)c3)C2)o1 ZINC000450898207 650074764 /nfs/dbraw/zinc/07/47/64/650074764.db2.gz BDHRTEZSUDKHIT-AAEUAGOBSA-N 1 2 398.257 2.157 20 0 GEADLO CCOCC[N@@H+]1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)C[C@@H]1C ZINC000451211666 650096551 /nfs/dbraw/zinc/09/65/51/650096551.db2.gz WTYRNYNJRUGLBT-ZDUSSCGKSA-N 1 2 378.897 2.352 20 0 GEADLO CCOCC[N@H+]1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)C[C@@H]1C ZINC000451211666 650096554 /nfs/dbraw/zinc/09/65/54/650096554.db2.gz WTYRNYNJRUGLBT-ZDUSSCGKSA-N 1 2 378.897 2.352 20 0 GEADLO CCOCC[N@@H+]1CCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)C[C@@H]1C ZINC000451208055 650096656 /nfs/dbraw/zinc/09/66/56/650096656.db2.gz MTFKXJIYSHSMHE-NFOMZHRRSA-N 1 2 386.480 2.480 20 0 GEADLO CCOCC[N@H+]1CCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)C[C@@H]1C ZINC000451208055 650096661 /nfs/dbraw/zinc/09/66/61/650096661.db2.gz MTFKXJIYSHSMHE-NFOMZHRRSA-N 1 2 386.480 2.480 20 0 GEADLO O=C1[C@@H]([N@@H+]2CC[C@@](O)(C(F)F)C2)CCN1c1cccc(Br)c1 ZINC000451436429 650113879 /nfs/dbraw/zinc/11/38/79/650113879.db2.gz RVUJHWYVTSNXFH-WFASDCNBSA-N 1 2 375.213 2.256 20 0 GEADLO O=C1[C@@H]([N@H+]2CC[C@@](O)(C(F)F)C2)CCN1c1cccc(Br)c1 ZINC000451436429 650113883 /nfs/dbraw/zinc/11/38/83/650113883.db2.gz RVUJHWYVTSNXFH-WFASDCNBSA-N 1 2 375.213 2.256 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@@H]21 ZINC000451527148 650123454 /nfs/dbraw/zinc/12/34/54/650123454.db2.gz JOMPFCONJCQYOU-VVLHAWIVSA-N 1 2 379.298 2.484 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@@H]21 ZINC000451527148 650123456 /nfs/dbraw/zinc/12/34/56/650123456.db2.gz JOMPFCONJCQYOU-VVLHAWIVSA-N 1 2 379.298 2.484 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451899598 650151137 /nfs/dbraw/zinc/15/11/37/650151137.db2.gz ZBMHLDIVQCKMRL-WFASDCNBSA-N 1 2 381.416 2.104 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451899598 650151140 /nfs/dbraw/zinc/15/11/40/650151140.db2.gz ZBMHLDIVQCKMRL-WFASDCNBSA-N 1 2 381.416 2.104 20 0 GEADLO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000453602278 650210261 /nfs/dbraw/zinc/21/02/61/650210261.db2.gz SULZNPVWFVPHBQ-JTQLQIEISA-N 1 2 383.221 2.237 20 0 GEADLO CC[C@@H](C)[NH+]1CCN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000454566221 650270336 /nfs/dbraw/zinc/27/03/36/650270336.db2.gz OONXXBINSDLDAL-CQSZACIVSA-N 1 2 387.933 2.239 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000454663245 650275132 /nfs/dbraw/zinc/27/51/32/650275132.db2.gz UPLFMISYONTJLV-HSWBROFVSA-N 1 2 382.302 2.482 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000454663245 650275136 /nfs/dbraw/zinc/27/51/36/650275136.db2.gz UPLFMISYONTJLV-HSWBROFVSA-N 1 2 382.302 2.482 20 0 GEADLO Cc1cc(C)c(CNC(=O)NCc2nn(C)cc2I)c[nH+]1 ZINC000455456510 650304859 /nfs/dbraw/zinc/30/48/59/650304859.db2.gz AUZQHCBEFQUPJR-UHFFFAOYSA-N 1 2 399.236 2.036 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000456482189 650342550 /nfs/dbraw/zinc/34/25/50/650342550.db2.gz IMCABVZYMZKLBR-LLVKDONJSA-N 1 2 384.249 2.130 20 0 GEADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc(Br)co1 ZINC000457605086 650381636 /nfs/dbraw/zinc/38/16/36/650381636.db2.gz UHFGQQQGCYIRPR-CYBMUJFWSA-N 1 2 393.285 2.378 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000457725300 650383131 /nfs/dbraw/zinc/38/31/31/650383131.db2.gz ALKZFUNWXPCONB-CJNGLKHVSA-N 1 2 397.317 2.411 20 0 GEADLO C[N@@H+]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)C(C)(C)C1 ZINC000501772806 650397185 /nfs/dbraw/zinc/39/71/85/650397185.db2.gz WOUKSLDDFJUEPS-UHFFFAOYSA-N 1 2 375.332 2.249 20 0 GEADLO C[N@H+]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)C(C)(C)C1 ZINC000501772806 650397187 /nfs/dbraw/zinc/39/71/87/650397187.db2.gz WOUKSLDDFJUEPS-UHFFFAOYSA-N 1 2 375.332 2.249 20 0 GEADLO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(S(C)(=O)=O)ccc1F ZINC000502319724 650405175 /nfs/dbraw/zinc/40/51/75/650405175.db2.gz KDLNVMDEOSCQTL-ZDUSSCGKSA-N 1 2 385.482 2.181 20 0 GEADLO C[C@H](c1ccccc1Br)[N@H+](C)CC1(O)CCS(=O)(=O)CC1 ZINC000502694059 650410228 /nfs/dbraw/zinc/41/02/28/650410228.db2.gz YMZFOSVHARQSOI-GFCCVEGCSA-N 1 2 376.316 2.382 20 0 GEADLO C[C@H](c1ccccc1Br)[N@@H+](C)CC1(O)CCS(=O)(=O)CC1 ZINC000502694059 650410230 /nfs/dbraw/zinc/41/02/30/650410230.db2.gz YMZFOSVHARQSOI-GFCCVEGCSA-N 1 2 376.316 2.382 20 0 GEADLO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000502712179 650410557 /nfs/dbraw/zinc/41/05/57/650410557.db2.gz PICJBQIPGAZNAS-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000502712179 650410560 /nfs/dbraw/zinc/41/05/60/650410560.db2.gz PICJBQIPGAZNAS-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1cccc(Br)c1 ZINC000459147546 650419567 /nfs/dbraw/zinc/41/95/67/650419567.db2.gz JUQLUNIQMOBYEV-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO CN(CCOc1ccc(Br)cc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459193174 650420715 /nfs/dbraw/zinc/42/07/15/650420715.db2.gz ZKLKRCQVPFDWTE-UHFFFAOYSA-N 1 2 381.274 2.446 20 0 GEADLO Cc1cc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1Br ZINC000459189728 650420728 /nfs/dbraw/zinc/42/07/28/650420728.db2.gz WMQJIRFSWKGPBL-HZPDHXFCSA-N 1 2 382.302 2.372 20 0 GEADLO Cc1cc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1Br ZINC000459189728 650420729 /nfs/dbraw/zinc/42/07/29/650420729.db2.gz WMQJIRFSWKGPBL-HZPDHXFCSA-N 1 2 382.302 2.372 20 0 GEADLO COc1ccc(C[N@H+](CCn2cc(Cl)cn2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000459296744 650422064 /nfs/dbraw/zinc/42/20/64/650422064.db2.gz ROQCZLCVVQRZHQ-MRXNPFEDSA-N 1 2 383.901 2.234 20 0 GEADLO COc1ccc(C[N@@H+](CCn2cc(Cl)cn2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000459296744 650422065 /nfs/dbraw/zinc/42/20/65/650422065.db2.gz ROQCZLCVVQRZHQ-MRXNPFEDSA-N 1 2 383.901 2.234 20 0 GEADLO CCO[C@@H]1C[C@H]([NH2+]Cc2nn(C)cc2I)[C@@H]1SC ZINC000459562437 650428817 /nfs/dbraw/zinc/42/88/17/650428817.db2.gz CMYMCFLWRWZFLF-WCQGTBRESA-N 1 2 381.283 2.023 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+]Cc3cccc(O)c3Br)C2=O)n(C)n1 ZINC000459423666 650424135 /nfs/dbraw/zinc/42/41/35/650424135.db2.gz KGCNRCCJNISLBM-GFCCVEGCSA-N 1 2 379.258 2.092 20 0 GEADLO COCCC[N@H+](Cc1cnc(-c2ccncc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000506008710 650442785 /nfs/dbraw/zinc/44/27/85/650442785.db2.gz FDJYDLJJEOKQNZ-HNNXBMFYSA-N 1 2 381.523 2.231 20 0 GEADLO COCCC[N@@H+](Cc1cnc(-c2ccncc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000506008710 650442786 /nfs/dbraw/zinc/44/27/86/650442786.db2.gz FDJYDLJJEOKQNZ-HNNXBMFYSA-N 1 2 381.523 2.231 20 0 GEADLO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000460900588 650447475 /nfs/dbraw/zinc/44/74/75/650447475.db2.gz LHRVSLXKNZIVKG-UHFFFAOYSA-N 1 2 390.571 2.223 20 0 GEADLO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000460930283 650448312 /nfs/dbraw/zinc/44/83/12/650448312.db2.gz MGJFEZLVXFUIGC-UHFFFAOYSA-N 1 2 390.571 2.223 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)c1cccc(F)c1F)[NH+]1CCOCC1 ZINC000507573270 650463371 /nfs/dbraw/zinc/46/33/71/650463371.db2.gz ZGBKHCVCHBXEJK-HNNXBMFYSA-N 1 2 376.469 2.380 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000462033955 650464916 /nfs/dbraw/zinc/46/49/16/650464916.db2.gz QAUALOVMGISCIO-UHFFFAOYSA-N 1 2 399.285 2.076 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000462033955 650464918 /nfs/dbraw/zinc/46/49/18/650464918.db2.gz QAUALOVMGISCIO-UHFFFAOYSA-N 1 2 399.285 2.076 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@@H](C)C[N@@H+]1C ZINC000507934488 650469911 /nfs/dbraw/zinc/46/99/11/650469911.db2.gz KROHXLFCCFEYPB-BDAKNGLRSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@@H](C)C[N@H+]1C ZINC000507934488 650469913 /nfs/dbraw/zinc/46/99/13/650469913.db2.gz KROHXLFCCFEYPB-BDAKNGLRSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000507934495 650469953 /nfs/dbraw/zinc/46/99/53/650469953.db2.gz KROHXLFCCFEYPB-RKDXNWHRSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000507934495 650469956 /nfs/dbraw/zinc/46/99/56/650469956.db2.gz KROHXLFCCFEYPB-RKDXNWHRSA-N 1 2 383.258 2.440 20 0 GEADLO Cn1c(-c2ccccc2Br)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508534499 650481938 /nfs/dbraw/zinc/48/19/38/650481938.db2.gz SHUPZMQLRSWHKI-ZDUSSCGKSA-N 1 2 392.301 2.156 20 0 GEADLO C[C@H]1c2cccc(Br)c2CCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000509227501 650490714 /nfs/dbraw/zinc/49/07/14/650490714.db2.gz NJEHMINXUXGQGM-STQMWFEESA-N 1 2 382.302 2.408 20 0 GEADLO C[C@H]1c2cccc(Br)c2CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000509227501 650490717 /nfs/dbraw/zinc/49/07/17/650490717.db2.gz NJEHMINXUXGQGM-STQMWFEESA-N 1 2 382.302 2.408 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000509295028 650492773 /nfs/dbraw/zinc/49/27/73/650492773.db2.gz SVNUZCKRUCVZNY-CYBMUJFWSA-N 1 2 388.917 2.420 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000509295028 650492774 /nfs/dbraw/zinc/49/27/74/650492774.db2.gz SVNUZCKRUCVZNY-CYBMUJFWSA-N 1 2 388.917 2.420 20 0 GEADLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)n1C ZINC000463371177 650494349 /nfs/dbraw/zinc/49/43/49/650494349.db2.gz ZBGWFUSKIQPBOK-NSHDSACASA-N 1 2 383.290 2.498 20 0 GEADLO Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000509762389 650500101 /nfs/dbraw/zinc/50/01/01/650500101.db2.gz YOFMRMIHCBOWDJ-UHFFFAOYSA-N 1 2 380.426 2.281 20 0 GEADLO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000472034745 650518688 /nfs/dbraw/zinc/51/86/88/650518688.db2.gz HYQIJSJFKAMBCI-UHFFFAOYSA-N 1 2 375.903 2.011 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H](O)C[C@@H]3C)[nH+]c12 ZINC000472054144 650519021 /nfs/dbraw/zinc/51/90/21/650519021.db2.gz SNALMZKNTVJDLW-FZMZJTMJSA-N 1 2 381.274 2.112 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCOc2ccccc2Br)C1 ZINC000511067683 650525272 /nfs/dbraw/zinc/52/52/72/650525272.db2.gz WMTKVLKBDYKUJU-CYBMUJFWSA-N 1 2 391.331 2.184 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCOc2ccccc2Br)C1 ZINC000511067683 650525277 /nfs/dbraw/zinc/52/52/77/650525277.db2.gz WMTKVLKBDYKUJU-CYBMUJFWSA-N 1 2 391.331 2.184 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511095071 650525782 /nfs/dbraw/zinc/52/57/82/650525782.db2.gz IDDHGJLCEBQROG-ZIAGYGMSSA-N 1 2 387.933 2.270 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511095071 650525786 /nfs/dbraw/zinc/52/57/86/650525786.db2.gz IDDHGJLCEBQROG-ZIAGYGMSSA-N 1 2 387.933 2.270 20 0 GEADLO O=C(c1cccc(Br)c1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000473975491 650525802 /nfs/dbraw/zinc/52/58/02/650525802.db2.gz IMJCWQUAMQMZDJ-INIZCTEOSA-N 1 2 383.286 2.012 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(Cc3c(F)ccc(I)c3F)C[C@H]21 ZINC000474279893 650529499 /nfs/dbraw/zinc/52/94/99/650529499.db2.gz YKHLAOTUJULYRW-OLZOCXBDSA-N 1 2 394.203 2.084 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(Cc3c(F)ccc(I)c3F)C[C@H]21 ZINC000474279893 650529503 /nfs/dbraw/zinc/52/95/03/650529503.db2.gz YKHLAOTUJULYRW-OLZOCXBDSA-N 1 2 394.203 2.084 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)OC)[C@H](C)C1 ZINC000511240664 650530248 /nfs/dbraw/zinc/53/02/48/650530248.db2.gz MAKHNYDLGXNGKF-GFCCVEGCSA-N 1 2 382.507 2.403 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)OC)[C@H](C)C1 ZINC000511240664 650530249 /nfs/dbraw/zinc/53/02/49/650530249.db2.gz MAKHNYDLGXNGKF-GFCCVEGCSA-N 1 2 382.507 2.403 20 0 GEADLO CC[C@@H]1CN(CC(C)C[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@@]1=O ZINC000512414159 650547761 /nfs/dbraw/zinc/54/77/61/650547761.db2.gz CCNXYEMHBXTZTH-ANWGKGPBSA-N 1 2 376.632 2.085 20 0 GEADLO CC[C@@H]1CN(CC(C)C[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@@]1=O ZINC000512414159 650547763 /nfs/dbraw/zinc/54/77/63/650547763.db2.gz CCNXYEMHBXTZTH-ANWGKGPBSA-N 1 2 376.632 2.085 20 0 GEADLO CNC(=O)c1cccc(C[NH2+]Cc2ncc(I)s2)c1 ZINC000512097221 650545184 /nfs/dbraw/zinc/54/51/84/650545184.db2.gz CUKRTIIGKIBECC-UHFFFAOYSA-N 1 2 387.246 2.397 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000476738131 650558194 /nfs/dbraw/zinc/55/81/94/650558194.db2.gz JONIOCDZFWPONM-UHFFFAOYSA-N 1 2 381.885 2.249 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2c(C)cccc2I)CC1 ZINC000476556956 650553997 /nfs/dbraw/zinc/55/39/97/650553997.db2.gz XFCRZUGTKOQCBA-UHFFFAOYSA-N 1 2 388.249 2.004 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000476665929 650557412 /nfs/dbraw/zinc/55/74/12/650557412.db2.gz RKFMDFAALPDAHH-UHFFFAOYSA-N 1 2 390.292 2.001 20 0 GEADLO CNS(=O)(=O)c1csc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1 ZINC000513996034 650572591 /nfs/dbraw/zinc/57/25/91/650572591.db2.gz DFBVIDZYFQSZLB-CQSZACIVSA-N 1 2 399.925 2.096 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000514741772 650578123 /nfs/dbraw/zinc/57/81/23/650578123.db2.gz KTVRREIPRYEGQW-QFIPXVFZSA-N 1 2 399.365 2.115 20 0 GEADLO Cc1ncc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c(Cl)c1Cl ZINC000478977749 650593198 /nfs/dbraw/zinc/59/31/98/650593198.db2.gz BTQFXZUPHOJBMH-ZDUSSCGKSA-N 1 2 388.295 2.260 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000516211492 650595466 /nfs/dbraw/zinc/59/54/66/650595466.db2.gz YNBVTAKBYUJWQF-SAHAZLINSA-N 1 2 399.365 2.102 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000516211492 650595471 /nfs/dbraw/zinc/59/54/71/650595471.db2.gz YNBVTAKBYUJWQF-SAHAZLINSA-N 1 2 399.365 2.102 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1ccc(Br)cc1F ZINC000516476345 650597256 /nfs/dbraw/zinc/59/72/56/650597256.db2.gz OORRGXUZCFNVSD-UHFFFAOYSA-N 1 2 383.221 2.320 20 0 GEADLO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479333885 650601512 /nfs/dbraw/zinc/60/15/12/650601512.db2.gz HGLJGVWNQZCFTQ-MRVPVSSYSA-N 1 2 382.313 2.206 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N2CCN(c3cccc(Br)c3)CC2)c1 ZINC000519631870 650610434 /nfs/dbraw/zinc/61/04/34/650610434.db2.gz VKFVRBZRAMDWPI-UHFFFAOYSA-N 1 2 392.301 2.257 20 0 GEADLO Ic1ccc(OCc2noc(Cn3cc[nH+]c3)n2)cc1 ZINC000519796912 650612605 /nfs/dbraw/zinc/61/26/05/650612605.db2.gz YSFMKLMUMOSQMP-UHFFFAOYSA-N 1 2 382.161 2.498 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCc2c1cccc2Br ZINC000520613798 650615435 /nfs/dbraw/zinc/61/54/35/650615435.db2.gz GEXRYOXJWHALEI-WBMJQRKESA-N 1 2 382.302 2.456 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCc2c1cccc2Br ZINC000520613798 650615437 /nfs/dbraw/zinc/61/54/37/650615437.db2.gz GEXRYOXJWHALEI-WBMJQRKESA-N 1 2 382.302 2.456 20 0 GEADLO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480212066 650617690 /nfs/dbraw/zinc/61/76/90/650617690.db2.gz FJQNXLAALJATDB-GFCCVEGCSA-N 1 2 389.315 2.172 20 0 GEADLO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000521500095 650618207 /nfs/dbraw/zinc/61/82/07/650618207.db2.gz YPWMXIVRDQOCHR-AWEZNQCLSA-N 1 2 381.885 2.463 20 0 GEADLO COc1cccc(Cl)c1C[NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000480305630 650619393 /nfs/dbraw/zinc/61/93/93/650619393.db2.gz OXNFKWIKSLBYTM-KRWDZBQOSA-N 1 2 383.901 2.369 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)CCO1 ZINC000523763130 650638156 /nfs/dbraw/zinc/63/81/56/650638156.db2.gz IWKNETSHXHCDMA-FMEYXAORSA-N 1 2 393.325 2.490 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)CCO1 ZINC000523763130 650638158 /nfs/dbraw/zinc/63/81/58/650638158.db2.gz IWKNETSHXHCDMA-FMEYXAORSA-N 1 2 393.325 2.490 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000480788659 650632471 /nfs/dbraw/zinc/63/24/71/650632471.db2.gz RGXUDBJTYYRNMO-UHFFFAOYSA-N 1 2 377.279 2.437 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000480788659 650632473 /nfs/dbraw/zinc/63/24/73/650632473.db2.gz RGXUDBJTYYRNMO-UHFFFAOYSA-N 1 2 377.279 2.437 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000523684309 650637000 /nfs/dbraw/zinc/63/70/00/650637000.db2.gz SFHRHBIHCLQZAD-LBPRGKRZSA-N 1 2 394.273 2.280 20 0 GEADLO CC(=O)N[C@H](CC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000481418214 650646282 /nfs/dbraw/zinc/64/62/82/650646282.db2.gz UGVIRMIMPKVZBR-BLLLJJGKSA-N 1 2 393.285 2.418 20 0 GEADLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)NCCc1cccc(Cl)c1Cl ZINC000481311695 650644165 /nfs/dbraw/zinc/64/41/65/650644165.db2.gz SCLHEPCBBSNGOV-UHFFFAOYSA-N 1 2 381.263 2.206 20 0 GEADLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)NCCc1cccc(Cl)c1Cl ZINC000481311695 650644170 /nfs/dbraw/zinc/64/41/70/650644170.db2.gz SCLHEPCBBSNGOV-UHFFFAOYSA-N 1 2 381.263 2.206 20 0 GEADLO CN(CC(=O)Nc1cccc2[nH+]ccn21)S(=O)(=O)c1ccc(Cl)s1 ZINC000524652438 650644622 /nfs/dbraw/zinc/64/46/22/650644622.db2.gz NRHHMKAZSLLFNS-UHFFFAOYSA-N 1 2 384.870 2.308 20 0 GEADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ncncc1Br ZINC000482002320 650658056 /nfs/dbraw/zinc/65/80/56/650658056.db2.gz PTGHPJMBVHVECM-UHFFFAOYSA-N 1 2 376.302 2.498 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NCC1(S(C)(=O)=O)CCC1)c1ccc(Cl)cc1 ZINC000527516766 650677434 /nfs/dbraw/zinc/67/74/34/650677434.db2.gz UCFYTGYAZZOMMB-HNNXBMFYSA-N 1 2 387.933 2.209 20 0 GEADLO Cn1ccc(N2CCC[C@@H]([NH2+]Cc3ncc(Br)cc3F)C2=O)n1 ZINC000527664927 650681477 /nfs/dbraw/zinc/68/14/77/650681477.db2.gz CNOIBFARXPXUIU-GFCCVEGCSA-N 1 2 382.237 2.002 20 0 GEADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000485256898 650694719 /nfs/dbraw/zinc/69/47/19/650694719.db2.gz QODJDTKZPZHYCV-LBPRGKRZSA-N 1 2 376.463 2.239 20 0 GEADLO C[C@@]1(c2ccc(Br)cc2)C[C@@]12NC(=O)N(CCn1cc[nH+]c1)C2=O ZINC000530190966 650717333 /nfs/dbraw/zinc/71/73/33/650717333.db2.gz WYEAKDAAOCRDME-IRXDYDNUSA-N 1 2 389.253 2.298 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1)[NH+]1CCSCC1 ZINC000486740716 650720491 /nfs/dbraw/zinc/72/04/91/650720491.db2.gz JEPHTZKORJHSPZ-LBPRGKRZSA-N 1 2 385.917 2.183 20 0 GEADLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531078702 650734409 /nfs/dbraw/zinc/73/44/09/650734409.db2.gz DZZSWEYZQHRGHE-WFASDCNBSA-N 1 2 375.922 2.017 20 0 GEADLO COCC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000531779785 650744356 /nfs/dbraw/zinc/74/43/56/650744356.db2.gz NPIFVGGNKNKIAV-ZDUSSCGKSA-N 1 2 391.331 2.180 20 0 GEADLO CC(C)S(=O)(=O)CCC[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488223427 650742803 /nfs/dbraw/zinc/74/28/03/650742803.db2.gz AAYITFOPBGRHSI-UHFFFAOYSA-N 1 2 378.332 2.457 20 0 GEADLO CC(C)S(=O)(=O)CCC[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488223427 650742807 /nfs/dbraw/zinc/74/28/07/650742807.db2.gz AAYITFOPBGRHSI-UHFFFAOYSA-N 1 2 378.332 2.457 20 0 GEADLO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000026461476 642433289 /nfs/dbraw/zinc/43/32/89/642433289.db2.gz UWGUYDINSFPLRZ-CYBMUJFWSA-N 1 2 387.267 2.242 20 0 GEADLO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000026461476 642433291 /nfs/dbraw/zinc/43/32/91/642433291.db2.gz UWGUYDINSFPLRZ-CYBMUJFWSA-N 1 2 387.267 2.242 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Cc2c[nH]c3cccc(Br)c23)CCO1 ZINC000533134755 650758030 /nfs/dbraw/zinc/75/80/30/650758030.db2.gz NCZKNABLMULVKB-LBPRGKRZSA-N 1 2 380.286 2.310 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Cc2c[nH]c3cccc(Br)c23)CCO1 ZINC000533134755 650758033 /nfs/dbraw/zinc/75/80/33/650758033.db2.gz NCZKNABLMULVKB-LBPRGKRZSA-N 1 2 380.286 2.310 20 0 GEADLO Cn1c(Cl)c(Cl)cc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031935975 642492499 /nfs/dbraw/zinc/49/24/99/642492499.db2.gz RDGLQWKIMMRZAL-HNNXBMFYSA-N 1 2 378.325 2.270 20 0 GEADLO CCn1c2ccccc2n(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1=S ZINC000042108776 642542236 /nfs/dbraw/zinc/54/22/36/642542236.db2.gz JECSMRFDEAURCE-CQSZACIVSA-N 1 2 382.555 2.411 20 0 GEADLO CCn1c2ccccc2n(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1=S ZINC000042108776 642542241 /nfs/dbraw/zinc/54/22/41/642542241.db2.gz JECSMRFDEAURCE-CQSZACIVSA-N 1 2 382.555 2.411 20 0 GEADLO O=C([C@H]1CCCO1)N1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000042366411 642551820 /nfs/dbraw/zinc/55/18/20/642551820.db2.gz NRPBJCAOOCUFMO-MRXNPFEDSA-N 1 2 383.286 2.151 20 0 GEADLO C[N@H+](CCN1CCCC1=O)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000533432678 650761305 /nfs/dbraw/zinc/76/13/05/650761305.db2.gz UUJIRELNZJMCDT-UHFFFAOYSA-N 1 2 390.228 2.220 20 0 GEADLO C[N@@H+](CCN1CCCC1=O)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000533432678 650761306 /nfs/dbraw/zinc/76/13/06/650761306.db2.gz UUJIRELNZJMCDT-UHFFFAOYSA-N 1 2 390.228 2.220 20 0 GEADLO CCCNS(=O)(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000489687356 650761788 /nfs/dbraw/zinc/76/17/88/650761788.db2.gz PGQGRXHQAANZEB-UHFFFAOYSA-N 1 2 390.347 2.248 20 0 GEADLO CS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000044296857 642573559 /nfs/dbraw/zinc/57/35/59/642573559.db2.gz HVLUJRFKGBLNNO-UHFFFAOYSA-N 1 2 378.431 2.044 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)s1 ZINC000533917295 650767253 /nfs/dbraw/zinc/76/72/53/650767253.db2.gz WDXDGGCGJYYZCV-BBRMVZONSA-N 1 2 380.491 2.258 20 0 GEADLO C[NH+](C)[C@H](CN1C(=O)c2cc(Br)ccc2S1(=O)=O)c1ccco1 ZINC000044644617 642580994 /nfs/dbraw/zinc/58/09/94/642580994.db2.gz GJLDCIZKDZAHEK-GFCCVEGCSA-N 1 2 399.266 2.490 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000533917295 650767261 /nfs/dbraw/zinc/76/72/61/650767261.db2.gz WDXDGGCGJYYZCV-BBRMVZONSA-N 1 2 380.491 2.258 20 0 GEADLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000052213747 642712585 /nfs/dbraw/zinc/71/25/85/642712585.db2.gz PBHQJQBGDQJTQF-QGZVFWFLSA-N 1 2 394.313 2.277 20 0 GEADLO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000052213747 642712589 /nfs/dbraw/zinc/71/25/89/642712589.db2.gz PBHQJQBGDQJTQF-QGZVFWFLSA-N 1 2 394.313 2.277 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000052691850 642724633 /nfs/dbraw/zinc/72/46/33/642724633.db2.gz JIQMBZPQFKCJQE-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000052691850 642724638 /nfs/dbraw/zinc/72/46/38/642724638.db2.gz JIQMBZPQFKCJQE-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052693842 642725035 /nfs/dbraw/zinc/72/50/35/642725035.db2.gz HOGVQQXPTCFIOD-ZIAGYGMSSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052693842 642725042 /nfs/dbraw/zinc/72/50/42/642725042.db2.gz HOGVQQXPTCFIOD-ZIAGYGMSSA-N 1 2 387.933 2.237 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000052749904 642726535 /nfs/dbraw/zinc/72/65/35/642726535.db2.gz VMULVWPVLMRXBV-QWHCGFSZSA-N 1 2 391.269 2.203 20 0 GEADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2scnc2Cl)CC1 ZINC000054079769 642746919 /nfs/dbraw/zinc/74/69/19/642746919.db2.gz MOZVLNVNYVFGFT-UHFFFAOYSA-N 1 2 388.921 2.469 20 0 GEADLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000054676278 642756543 /nfs/dbraw/zinc/75/65/43/642756543.db2.gz TZRMTHBLXSKNDX-NSHDSACASA-N 1 2 380.246 2.354 20 0 GEADLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000054676278 642756545 /nfs/dbraw/zinc/75/65/45/642756545.db2.gz TZRMTHBLXSKNDX-NSHDSACASA-N 1 2 380.246 2.354 20 0 GEADLO CC(C)(CNC(=O)NCc1cc(F)ccc1Br)[NH+]1CCOCC1 ZINC000057036241 642801818 /nfs/dbraw/zinc/80/18/18/642801818.db2.gz DCHSIIAVLMXDJP-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000057197609 642807680 /nfs/dbraw/zinc/80/76/80/642807680.db2.gz GIQQYJATFKVFQF-GFCCVEGCSA-N 1 2 394.273 2.362 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000535085304 650784832 /nfs/dbraw/zinc/78/48/32/650784832.db2.gz FONAUGGHKNGASN-QWRGUYRKSA-N 1 2 378.270 2.455 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000535085304 650784835 /nfs/dbraw/zinc/78/48/35/650784835.db2.gz FONAUGGHKNGASN-QWRGUYRKSA-N 1 2 378.270 2.455 20 0 GEADLO C[C@H]1CN(C(=O)c2cccc(Br)c2O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000535829102 650791056 /nfs/dbraw/zinc/79/10/56/650791056.db2.gz XWEBOQLMHWYCPV-XJKSGUPXSA-N 1 2 396.329 2.253 20 0 GEADLO CCCCC(=O)N1CSC[C@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536015213 650794215 /nfs/dbraw/zinc/79/42/15/650794215.db2.gz CHGSXGWDACEWIW-INIZCTEOSA-N 1 2 381.567 2.484 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@H](O)CSc2nnc(NCc3ccco3)s2)C[C@H](C)O1 ZINC000066481736 642915668 /nfs/dbraw/zinc/91/56/68/642915668.db2.gz BPQTWHLOHZTIFX-XQQFMLRXSA-N 1 2 384.527 2.305 20 0 GEADLO C[C@@H]1C[N@H+](C[C@H](O)CSc2nnc(NCc3ccco3)s2)C[C@H](C)O1 ZINC000066481736 642915674 /nfs/dbraw/zinc/91/56/74/642915674.db2.gz BPQTWHLOHZTIFX-XQQFMLRXSA-N 1 2 384.527 2.305 20 0 GEADLO Cc1csc2nc(C[NH+]3CCN(c4ccc(Cl)cn4)CC3)cc(=O)n12 ZINC000066869701 642943267 /nfs/dbraw/zinc/94/32/67/642943267.db2.gz VNNVWRVOWQRNPX-UHFFFAOYSA-N 1 2 375.885 2.435 20 0 GEADLO CCN(C1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000066884405 642945517 /nfs/dbraw/zinc/94/55/17/642945517.db2.gz UYORTHXMYLQPOZ-CYBMUJFWSA-N 1 2 387.933 2.413 20 0 GEADLO C[C@@H](CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000068901992 643015522 /nfs/dbraw/zinc/01/55/22/643015522.db2.gz WPLIKDFHOVVYBV-NSHDSACASA-N 1 2 383.411 2.167 20 0 GEADLO O=C(Cn1cc(Br)ccc1=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069392836 643031538 /nfs/dbraw/zinc/03/15/38/643031538.db2.gz QEQDMSGYSPRMKJ-UHFFFAOYSA-N 1 2 387.237 2.113 20 0 GEADLO CN(C1CC[NH+](Cc2cc(O)ccc2Br)CC1)S(C)(=O)=O ZINC000092530508 643071916 /nfs/dbraw/zinc/07/19/16/643071916.db2.gz MXGAKBVVJPCAIW-UHFFFAOYSA-N 1 2 377.304 2.011 20 0 GEADLO COC(=O)c1cc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)c[nH]1 ZINC000093004972 643074437 /nfs/dbraw/zinc/07/44/37/643074437.db2.gz PTOCNBLQJGZHCR-UHFFFAOYSA-N 1 2 381.230 2.029 20 0 GEADLO COC(=O)c1cc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)c[nH]1 ZINC000093004972 643074439 /nfs/dbraw/zinc/07/44/39/643074439.db2.gz PTOCNBLQJGZHCR-UHFFFAOYSA-N 1 2 381.230 2.029 20 0 GEADLO O=C(c1c(Cl)cccc1Cl)N1CC[NH+](CCCN2CCOCC2)CC1 ZINC000097727546 643098658 /nfs/dbraw/zinc/09/86/58/643098658.db2.gz USDRGHGSVDKIHK-UHFFFAOYSA-N 1 2 386.323 2.474 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCCNc2ncc(Cl)cc2Cl)CCO1 ZINC000494718029 650815129 /nfs/dbraw/zinc/81/51/29/650815129.db2.gz MTYPSNZQXHYILF-ZDUSSCGKSA-N 1 2 390.315 2.210 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCCNc2ncc(Cl)cc2Cl)CCO1 ZINC000494718029 650815131 /nfs/dbraw/zinc/81/51/31/650815131.db2.gz MTYPSNZQXHYILF-ZDUSSCGKSA-N 1 2 390.315 2.210 20 0 GEADLO CCOc1ccc(Br)cc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000102810028 643140897 /nfs/dbraw/zinc/14/08/97/643140897.db2.gz YHYOSSXLGLDUFE-UHFFFAOYSA-N 1 2 395.257 2.189 20 0 GEADLO O=S(=O)(c1cc(Br)c(F)cc1F)N1CC[NH+](CC2CC2)CC1 ZINC000103156037 643156371 /nfs/dbraw/zinc/15/63/71/643156371.db2.gz JCFGFBIPUQDKQZ-UHFFFAOYSA-N 1 2 395.269 2.444 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000104737042 643189881 /nfs/dbraw/zinc/18/98/81/643189881.db2.gz YYMCHPLSYRERRL-UHFFFAOYSA-N 1 2 389.880 2.154 20 0 GEADLO CC[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1nc(C)cs1 ZINC000104791438 643194272 /nfs/dbraw/zinc/19/42/72/643194272.db2.gz RXVIAPUNELYVCS-YOEHRIQHSA-N 1 2 384.571 2.410 20 0 GEADLO COCC[N@H+](CCO)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000104957970 643197697 /nfs/dbraw/zinc/19/76/97/643197697.db2.gz PDJRFZYTIQDDHZ-UHFFFAOYSA-N 1 2 399.207 2.347 20 0 GEADLO COCC[N@@H+](CCO)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000104957970 643197699 /nfs/dbraw/zinc/19/76/99/643197699.db2.gz PDJRFZYTIQDDHZ-UHFFFAOYSA-N 1 2 399.207 2.347 20 0 GEADLO NC(=O)[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccc(Br)cc1 ZINC000105402312 643206352 /nfs/dbraw/zinc/20/63/52/643206352.db2.gz NGZIDFZPCOOMNI-KRWDZBQOSA-N 1 2 388.265 2.154 20 0 GEADLO CCOCCN1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000106104890 643221478 /nfs/dbraw/zinc/22/14/78/643221478.db2.gz FSFGFPYEQOOZHD-OAHLLOKOSA-N 1 2 377.312 2.387 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CCc1ccc(Br)cc1 ZINC000106584326 643235019 /nfs/dbraw/zinc/23/50/19/643235019.db2.gz VEZRKMOBZMMNKK-OAHLLOKOSA-N 1 2 397.361 2.269 20 0 GEADLO COCC[N@H+](CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108853276 643283933 /nfs/dbraw/zinc/28/39/33/643283933.db2.gz TYHZWNPXYJNQTF-CQSZACIVSA-N 1 2 381.416 2.220 20 0 GEADLO COCC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108853276 643283935 /nfs/dbraw/zinc/28/39/35/643283935.db2.gz TYHZWNPXYJNQTF-CQSZACIVSA-N 1 2 381.416 2.220 20 0 GEADLO CC(C)(C)[C@@H]([NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C(N)=O ZINC000109330355 643293522 /nfs/dbraw/zinc/29/35/22/643293522.db2.gz YMBBIKGKBVPFPK-AWEZNQCLSA-N 1 2 381.523 2.203 20 0 GEADLO CC(C)(C)C[N@H+](CCCO)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000111230154 643330023 /nfs/dbraw/zinc/33/00/23/643330023.db2.gz KUCRTUMKOJVKBB-UHFFFAOYSA-N 1 2 390.933 2.413 20 0 GEADLO CC(C)(C)C[N@@H+](CCCO)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000111230154 643330027 /nfs/dbraw/zinc/33/00/27/643330027.db2.gz KUCRTUMKOJVKBB-UHFFFAOYSA-N 1 2 390.933 2.413 20 0 GEADLO CCc1nc([C@@H](C)NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cs1 ZINC000111475434 643340544 /nfs/dbraw/zinc/34/05/44/643340544.db2.gz LTXFVITYEDWCGB-DYVFJYSZSA-N 1 2 384.571 2.274 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000112297405 643358764 /nfs/dbraw/zinc/35/87/64/643358764.db2.gz ZDIVBQKUDINIJY-CQSZACIVSA-N 1 2 385.302 2.397 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cn2c1 ZINC000113458885 643398400 /nfs/dbraw/zinc/39/84/00/643398400.db2.gz XJEVGUAVAKJTBA-KBPBESRZSA-N 1 2 383.539 2.156 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+](C)CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000113518110 643400397 /nfs/dbraw/zinc/40/03/97/643400397.db2.gz VDUNGOOILJOIHQ-YOEHRIQHSA-N 1 2 386.945 2.238 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+](C)CCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000113518110 643400400 /nfs/dbraw/zinc/40/04/00/643400400.db2.gz VDUNGOOILJOIHQ-YOEHRIQHSA-N 1 2 386.945 2.238 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)CS(=O)(=O)CC)c1ccsc1 ZINC000113590849 643400764 /nfs/dbraw/zinc/40/07/64/643400764.db2.gz ZQAPSKUZHSDMME-ZFWWWQNUSA-N 1 2 375.560 2.253 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000116890567 643473944 /nfs/dbraw/zinc/47/39/44/643473944.db2.gz XYWUWIWVHSHCBR-LLVKDONJSA-N 1 2 397.722 2.105 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000116890567 643473955 /nfs/dbraw/zinc/47/39/55/643473955.db2.gz XYWUWIWVHSHCBR-LLVKDONJSA-N 1 2 397.722 2.105 20 0 GEADLO COCCC[N@H+](Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000120120996 643593301 /nfs/dbraw/zinc/59/33/01/643593301.db2.gz SUELHXIIBUNJDX-CYBMUJFWSA-N 1 2 381.416 2.453 20 0 GEADLO COCCC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000120120996 643593308 /nfs/dbraw/zinc/59/33/08/643593308.db2.gz SUELHXIIBUNJDX-CYBMUJFWSA-N 1 2 381.416 2.453 20 0 GEADLO CCOc1cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)ccc1OC(F)F ZINC000125155210 643701141 /nfs/dbraw/zinc/70/11/41/643701141.db2.gz MTULKWGNEHEIRB-UHFFFAOYSA-N 1 2 378.441 2.154 20 0 GEADLO CCOc1cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)ccc1OC(F)F ZINC000125155210 643701145 /nfs/dbraw/zinc/70/11/45/643701145.db2.gz MTULKWGNEHEIRB-UHFFFAOYSA-N 1 2 378.441 2.154 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC1 ZINC000127274143 643767677 /nfs/dbraw/zinc/76/76/77/643767677.db2.gz WCFKKVFZDHUJSI-UHFFFAOYSA-N 1 2 375.416 2.444 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](CCO)c1ccccc1Br ZINC000541022491 650869019 /nfs/dbraw/zinc/86/90/19/650869019.db2.gz GCDFCKHBVBTXJC-CQSZACIVSA-N 1 2 381.274 2.441 20 0 GEADLO C[N@H+](CC(=O)N1CCOCC1)Cc1cccc(Br)c1OC(F)F ZINC000131403911 643872709 /nfs/dbraw/zinc/87/27/09/643872709.db2.gz MCEFZFSGRAFBNR-UHFFFAOYSA-N 1 2 393.228 2.341 20 0 GEADLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cccc(Br)c1OC(F)F ZINC000131403911 643872717 /nfs/dbraw/zinc/87/27/17/643872717.db2.gz MCEFZFSGRAFBNR-UHFFFAOYSA-N 1 2 393.228 2.341 20 0 GEADLO C[C@@H](CNC(=O)Cc1cc(Cl)ccc1Br)[NH+]1CCN(C)CC1 ZINC000132969216 643890256 /nfs/dbraw/zinc/89/02/56/643890256.db2.gz VMDWHPUQQWCCDG-LBPRGKRZSA-N 1 2 388.737 2.397 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000151322135 643937173 /nfs/dbraw/zinc/93/71/73/643937173.db2.gz HUTLSINNFLXEEZ-LBPRGKRZSA-N 1 2 380.286 2.310 20 0 GEADLO O=C(Nc1ccccc1Br)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151393859 643942638 /nfs/dbraw/zinc/94/26/38/643942638.db2.gz YLWJDMROPSQEOV-CYBMUJFWSA-N 1 2 390.237 2.463 20 0 GEADLO COC(=O)c1ncn(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000151568435 643945647 /nfs/dbraw/zinc/94/56/47/643945647.db2.gz DYSZPVRWTJJMJP-SECBINFHSA-N 1 2 375.376 2.377 20 0 GEADLO COC(=O)c1ncn(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000151568435 643945653 /nfs/dbraw/zinc/94/56/53/643945653.db2.gz DYSZPVRWTJJMJP-SECBINFHSA-N 1 2 375.376 2.377 20 0 GEADLO CC(C)Oc1ccc(Br)cc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000151601921 643948013 /nfs/dbraw/zinc/94/80/13/643948013.db2.gz ODUWWXVDUOGMCH-UHFFFAOYSA-N 1 2 386.290 2.378 20 0 GEADLO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@H+](C)C[C@@H]3CCCO3)c2c1 ZINC000151748406 643952689 /nfs/dbraw/zinc/95/26/89/643952689.db2.gz PNJBYGBJOAUULR-LBPRGKRZSA-N 1 2 385.511 2.282 20 0 GEADLO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](C)C[C@@H]3CCCO3)c2c1 ZINC000151748406 643952693 /nfs/dbraw/zinc/95/26/93/643952693.db2.gz PNJBYGBJOAUULR-LBPRGKRZSA-N 1 2 385.511 2.282 20 0 GEADLO C[C@@H](CNC(=O)NC1(c2cccc(Br)c2)CC1)[NH+]1CCOCC1 ZINC000153468289 643987934 /nfs/dbraw/zinc/98/79/34/643987934.db2.gz HNLRYPAFJWUJGG-ZDUSSCGKSA-N 1 2 382.302 2.458 20 0 GEADLO O=C(C[NH+](CCO)CCO)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000153850499 644008066 /nfs/dbraw/zinc/00/80/66/644008066.db2.gz GUFDUXUYLMZMMO-UHFFFAOYSA-N 1 2 390.292 2.342 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(Br)cc2OC)CC1 ZINC000542852442 650892255 /nfs/dbraw/zinc/89/22/55/650892255.db2.gz DDRLWMBFFLWOHA-UHFFFAOYSA-N 1 2 398.345 2.444 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000158677753 644154926 /nfs/dbraw/zinc/15/49/26/644154926.db2.gz AVUDSXSSTMQMNM-ZDUSSCGKSA-N 1 2 386.857 2.301 20 0 GEADLO CN(C)C(=O)c1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000161874738 644223728 /nfs/dbraw/zinc/22/37/28/644223728.db2.gz ICDLBBWLMVPIOZ-INIZCTEOSA-N 1 2 390.281 2.467 20 0 GEADLO Cc1[nH]c(=O)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1Br ZINC000164293212 644261977 /nfs/dbraw/zinc/26/19/77/644261977.db2.gz PDAWQNTYAQJGNV-NSHDSACASA-N 1 2 377.242 2.262 20 0 GEADLO CC(=O)N1CC[C@H](C[N@@H+](C)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1 ZINC000165137071 644270520 /nfs/dbraw/zinc/27/05/20/644270520.db2.gz ZSYHTDMPOJKJHA-LLVKDONJSA-N 1 2 384.263 2.347 20 0 GEADLO CC(=O)N1CC[C@H](C[N@H+](C)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1 ZINC000165137071 644270522 /nfs/dbraw/zinc/27/05/22/644270522.db2.gz ZSYHTDMPOJKJHA-LLVKDONJSA-N 1 2 384.263 2.347 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170866671 644293914 /nfs/dbraw/zinc/29/39/14/644293914.db2.gz QREMPSQZYYXFJA-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170866671 644293918 /nfs/dbraw/zinc/29/39/18/644293918.db2.gz QREMPSQZYYXFJA-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1cc(F)ccc1Br ZINC000171103947 644309878 /nfs/dbraw/zinc/30/98/78/644309878.db2.gz HNLBAUKLJQDPNY-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1cc(F)ccc1Br ZINC000171103947 644309881 /nfs/dbraw/zinc/30/98/81/644309881.db2.gz HNLBAUKLJQDPNY-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000171906252 644334237 /nfs/dbraw/zinc/33/42/37/644334237.db2.gz JAPNFLSXKBVPAF-OAHLLOKOSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000171906252 644334245 /nfs/dbraw/zinc/33/42/45/644334245.db2.gz JAPNFLSXKBVPAF-OAHLLOKOSA-N 1 2 390.311 2.437 20 0 GEADLO C/C(=C\C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1Cl ZINC000171938698 644335181 /nfs/dbraw/zinc/33/51/81/644335181.db2.gz DDWJLUQIMBGKIE-BUHFOSPRSA-N 1 2 384.929 2.369 20 0 GEADLO CC[N@H+](CCNS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)C1CC1 ZINC000173098288 644351795 /nfs/dbraw/zinc/35/17/95/644351795.db2.gz FIIDWSJWLOBSRW-UHFFFAOYSA-N 1 2 395.859 2.339 20 0 GEADLO CC[N@@H+](CCNS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)C1CC1 ZINC000173098288 644351799 /nfs/dbraw/zinc/35/17/99/644351799.db2.gz FIIDWSJWLOBSRW-UHFFFAOYSA-N 1 2 395.859 2.339 20 0 GEADLO CC(C)(C)OC(=O)NCC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000177408056 644415394 /nfs/dbraw/zinc/41/53/94/644415394.db2.gz JCZGGQDFNSDDFS-UHFFFAOYSA-N 1 2 385.306 2.491 20 0 GEADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178404373 644432725 /nfs/dbraw/zinc/43/27/25/644432725.db2.gz FKYLGWYDJXXJDK-UHFFFAOYSA-N 1 2 379.825 2.253 20 0 GEADLO COC(=O)C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000178814256 644440665 /nfs/dbraw/zinc/44/06/65/644440665.db2.gz HWBZJPIVBXPXIZ-CQSZACIVSA-N 1 2 385.258 2.042 20 0 GEADLO COC(=O)C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000178814256 644440668 /nfs/dbraw/zinc/44/06/68/644440668.db2.gz HWBZJPIVBXPXIZ-CQSZACIVSA-N 1 2 385.258 2.042 20 0 GEADLO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CCCCS1(=O)=O ZINC000544253272 650938206 /nfs/dbraw/zinc/93/82/06/650938206.db2.gz HBYSLYVUGJDFFA-HUUCEWRRSA-N 1 2 385.555 2.152 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000544629524 650946964 /nfs/dbraw/zinc/94/69/64/650946964.db2.gz SBBKTFYFRCEPDU-LLVKDONJSA-N 1 2 377.819 2.434 20 0 GEADLO COC(=O)[C@H](C)CC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544774925 650953297 /nfs/dbraw/zinc/95/32/97/650953297.db2.gz JVIWCGLVSQKEEX-LLVKDONJSA-N 1 2 382.258 2.263 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)[C@@H](C)C[N@@H+]1C ZINC000544653773 650948113 /nfs/dbraw/zinc/94/81/13/650948113.db2.gz VOJUMBJHWOFSHN-MNOVXSKESA-N 1 2 389.315 2.097 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)[C@@H](C)C[N@H+]1C ZINC000544653773 650948116 /nfs/dbraw/zinc/94/81/16/650948116.db2.gz VOJUMBJHWOFSHN-MNOVXSKESA-N 1 2 389.315 2.097 20 0 GEADLO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCN(C3=NC[C@H](C)S3)CC2)c1 ZINC000182536874 644965243 /nfs/dbraw/zinc/96/52/43/644965243.db2.gz VWTHNBPXXUYNCA-LSDHHAIUSA-N 1 2 383.945 2.497 20 0 GEADLO Cc1cnc([C@@H](C)CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000183183553 644984936 /nfs/dbraw/zinc/98/49/36/644984936.db2.gz FHDNSICXWPEJIQ-GUYCJALGSA-N 1 2 384.571 2.062 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000183193921 644985946 /nfs/dbraw/zinc/98/59/46/644985946.db2.gz KGFPLJRBELQDTP-ZJUUUORDSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000183193921 644985949 /nfs/dbraw/zinc/98/59/49/644985949.db2.gz KGFPLJRBELQDTP-ZJUUUORDSA-N 1 2 375.252 2.421 20 0 GEADLO Cc1cc(Br)cn2cc(CCNc3nnnn3-c3ccccc3)[nH+]c12 ZINC000545344655 650970075 /nfs/dbraw/zinc/97/00/75/650970075.db2.gz HVMPEBFMUAQUAF-UHFFFAOYSA-N 1 2 398.268 2.457 20 0 GEADLO CSCC[C@@H]([NH2+]CC(=O)NCc1cccs1)c1nnc2ccccn21 ZINC000184599032 645022525 /nfs/dbraw/zinc/02/25/25/645022525.db2.gz PLQPOSFOUULHAK-CQSZACIVSA-N 1 2 375.523 2.491 20 0 GEADLO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000185437708 645045553 /nfs/dbraw/zinc/04/55/53/645045553.db2.gz BYXNVXYPTQHNNU-UHFFFAOYSA-N 1 2 377.913 2.174 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000545464711 650975314 /nfs/dbraw/zinc/97/53/14/650975314.db2.gz HUUZBMBJAYOCIW-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000545464711 650975320 /nfs/dbraw/zinc/97/53/20/650975320.db2.gz HUUZBMBJAYOCIW-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO O=C(CC[N@@H+]1CCSC[C@@H]1c1nccs1)NC(=O)NCC(F)(F)F ZINC000187044207 645080732 /nfs/dbraw/zinc/08/07/32/645080732.db2.gz MBHHCVIDIGBRBY-SECBINFHSA-N 1 2 382.433 2.011 20 0 GEADLO O=C(CC[N@H+]1CCSC[C@@H]1c1nccs1)NC(=O)NCC(F)(F)F ZINC000187044207 645080734 /nfs/dbraw/zinc/08/07/34/645080734.db2.gz MBHHCVIDIGBRBY-SECBINFHSA-N 1 2 382.433 2.011 20 0 GEADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000188310715 645112672 /nfs/dbraw/zinc/11/26/72/645112672.db2.gz XOAXYHSRZXKGIT-GFCCVEGCSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000188310715 645112676 /nfs/dbraw/zinc/11/26/76/645112676.db2.gz XOAXYHSRZXKGIT-GFCCVEGCSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(Cl)c1Cl ZINC000188314299 645113455 /nfs/dbraw/zinc/11/34/55/645113455.db2.gz AIUFUUAEIGABFF-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(Cl)c1Cl ZINC000188314299 645113458 /nfs/dbraw/zinc/11/34/58/645113458.db2.gz AIUFUUAEIGABFF-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1CC(C)(C)O ZINC000188801345 645126507 /nfs/dbraw/zinc/12/65/07/645126507.db2.gz FIHNHYLANWLKGW-GFCCVEGCSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[N@H+]1CC(C)(C)O ZINC000188801345 645126512 /nfs/dbraw/zinc/12/65/12/645126512.db2.gz FIHNHYLANWLKGW-GFCCVEGCSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1CC(C)(C)O ZINC000188798093 645126565 /nfs/dbraw/zinc/12/65/65/645126565.db2.gz SRISRBLNFCZSOD-LBPRGKRZSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[N@H+]1CC(C)(C)O ZINC000188798093 645126570 /nfs/dbraw/zinc/12/65/70/645126570.db2.gz SRISRBLNFCZSOD-LBPRGKRZSA-N 1 2 380.432 2.171 20 0 GEADLO CO[C@@H]1CC(=O)N(CN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000189185398 645134274 /nfs/dbraw/zinc/13/42/74/645134274.db2.gz NHAKQQJIABGBJU-OAHLLOKOSA-N 1 2 386.323 2.358 20 0 GEADLO Cc1cc[nH+]c(NNC(=O)C(=O)Nc2cccc(I)c2)c1 ZINC000190046978 645147184 /nfs/dbraw/zinc/14/71/84/645147184.db2.gz ASXZXJZQGSZESN-UHFFFAOYSA-N 1 2 396.188 2.076 20 0 GEADLO COc1cc(Cl)c(Br)cc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000191999067 645189414 /nfs/dbraw/zinc/18/94/14/645189414.db2.gz DVNIEQCCEOCKOT-SECBINFHSA-N 1 2 377.666 2.172 20 0 GEADLO COc1cc(Cl)c(Br)cc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000191999067 645189418 /nfs/dbraw/zinc/18/94/18/645189418.db2.gz DVNIEQCCEOCKOT-SECBINFHSA-N 1 2 377.666 2.172 20 0 GEADLO COc1cc(Cl)c(Br)cc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000191999074 645189424 /nfs/dbraw/zinc/18/94/24/645189424.db2.gz DVNIEQCCEOCKOT-VIFPVBQESA-N 1 2 377.666 2.172 20 0 GEADLO COc1cc(Cl)c(Br)cc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000191999074 645189427 /nfs/dbraw/zinc/18/94/27/645189427.db2.gz DVNIEQCCEOCKOT-VIFPVBQESA-N 1 2 377.666 2.172 20 0 GEADLO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCN(c2cccc[nH+]2)CC1 ZINC000192873925 645227301 /nfs/dbraw/zinc/22/73/01/645227301.db2.gz RFVGTXNLXOICDE-UHFFFAOYSA-N 1 2 375.347 2.149 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000546176386 650994313 /nfs/dbraw/zinc/99/43/13/650994313.db2.gz BVMPFDPINXISJC-UHFFFAOYSA-N 1 2 389.315 2.317 20 0 GEADLO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000194359384 645323757 /nfs/dbraw/zinc/32/37/57/645323757.db2.gz SHSAJXWUDVOJEZ-DOTOQJQBSA-N 1 2 395.297 2.076 20 0 GEADLO Cc1ccc(OCCC(=O)N[C@@H](C)C[NH+]2CCOCC2)c(Br)c1 ZINC000195026314 645355477 /nfs/dbraw/zinc/35/54/77/645355477.db2.gz PQUPKAAYQARUTJ-AWEZNQCLSA-N 1 2 385.302 2.363 20 0 GEADLO O=S(=O)(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(Cl)s1 ZINC000245625898 645463380 /nfs/dbraw/zinc/46/33/80/645463380.db2.gz QIFNFHZFHRZHTC-KBPBESRZSA-N 1 2 386.926 2.315 20 0 GEADLO O=S(=O)(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(Cl)s1 ZINC000245625898 645463382 /nfs/dbraw/zinc/46/33/82/645463382.db2.gz QIFNFHZFHRZHTC-KBPBESRZSA-N 1 2 386.926 2.315 20 0 GEADLO COC[C@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000246799283 645494512 /nfs/dbraw/zinc/49/45/12/645494512.db2.gz PJTGWRKQFNNNFG-CHWSQXEVSA-N 1 2 394.693 2.189 20 0 GEADLO COC[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000246799283 645494514 /nfs/dbraw/zinc/49/45/14/645494514.db2.gz PJTGWRKQFNNNFG-CHWSQXEVSA-N 1 2 394.693 2.189 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246818217 645495354 /nfs/dbraw/zinc/49/53/54/645495354.db2.gz JTBUUJUUDQHYLL-KGLIPLIRSA-N 1 2 396.314 2.131 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246818217 645495358 /nfs/dbraw/zinc/49/53/58/645495358.db2.gz JTBUUJUUDQHYLL-KGLIPLIRSA-N 1 2 396.314 2.131 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@H]1n1cc[nH+]c1 ZINC000247685726 645515905 /nfs/dbraw/zinc/51/59/05/645515905.db2.gz SCWFIUXMGXVVDV-CHWSQXEVSA-N 1 2 379.873 2.456 20 0 GEADLO CC1([C@@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)OCCO1 ZINC000248448768 645526969 /nfs/dbraw/zinc/52/69/69/645526969.db2.gz HWZHCHGZZIPIEQ-UKRRQHHQSA-N 1 2 383.286 2.451 20 0 GEADLO CC1([C@@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)OCCO1 ZINC000248448768 645526978 /nfs/dbraw/zinc/52/69/78/645526978.db2.gz HWZHCHGZZIPIEQ-UKRRQHHQSA-N 1 2 383.286 2.451 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000248819048 645539749 /nfs/dbraw/zinc/53/97/49/645539749.db2.gz LEBNQZNZTNBMDI-CZUORRHYSA-N 1 2 378.519 2.402 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000248819048 645539759 /nfs/dbraw/zinc/53/97/59/645539759.db2.gz LEBNQZNZTNBMDI-CZUORRHYSA-N 1 2 378.519 2.402 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CC1 ZINC000248928258 645543517 /nfs/dbraw/zinc/54/35/17/645543517.db2.gz XMHZJJOMOXRQLE-DDUZABMNSA-N 1 2 379.551 2.407 20 0 GEADLO CCc1ncc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000547304352 651021378 /nfs/dbraw/zinc/02/13/78/651021378.db2.gz NHAQWOBQTYJEDP-UHFFFAOYSA-N 1 2 375.585 2.345 20 0 GEADLO C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@@H](C)CO1 ZINC000249714456 645559143 /nfs/dbraw/zinc/55/91/43/645559143.db2.gz HHMWUDTYPCKVCM-QWHCGFSZSA-N 1 2 387.311 2.146 20 0 GEADLO C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@@H](C)CO1 ZINC000249714456 645559154 /nfs/dbraw/zinc/55/91/54/645559154.db2.gz HHMWUDTYPCKVCM-QWHCGFSZSA-N 1 2 387.311 2.146 20 0 GEADLO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249838669 645561113 /nfs/dbraw/zinc/56/11/13/645561113.db2.gz FSRAOEKHULIGAS-STQMWFEESA-N 1 2 387.343 2.455 20 0 GEADLO C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249838669 645561119 /nfs/dbraw/zinc/56/11/19/645561119.db2.gz FSRAOEKHULIGAS-STQMWFEESA-N 1 2 387.343 2.455 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)ccc1Br ZINC000261602521 645589476 /nfs/dbraw/zinc/58/94/76/645589476.db2.gz ALBLCUBZQIGSIC-MRXNPFEDSA-N 1 2 396.310 2.488 20 0 GEADLO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000261714860 645595829 /nfs/dbraw/zinc/59/58/29/645595829.db2.gz JOGCOCZHBWZAJF-SMDDNHRTSA-N 1 2 380.495 2.400 20 0 GEADLO O=S(=O)(c1cnn(CC(F)F)c1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261715791 645595887 /nfs/dbraw/zinc/59/58/87/645595887.db2.gz MXKVRYPQQBDTPG-CQSZACIVSA-N 1 2 390.843 2.137 20 0 GEADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000261922386 645612429 /nfs/dbraw/zinc/61/24/29/645612429.db2.gz BVDVOGIGMDDWNM-GFCCVEGCSA-N 1 2 375.281 2.062 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(F)cc1Br ZINC000264245141 645672891 /nfs/dbraw/zinc/67/28/91/645672891.db2.gz AHXLVWVULHCHRK-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2csc(-c3ccccc3OC)n2)CC1 ZINC000264735313 645709186 /nfs/dbraw/zinc/70/91/86/645709186.db2.gz QNWYHXCYFFIGEK-UHFFFAOYSA-N 1 2 381.523 2.332 20 0 GEADLO CCN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@H](C)CS(C)(=O)=O ZINC000264828248 645722807 /nfs/dbraw/zinc/72/28/07/645722807.db2.gz PQQPMBAKNVAFRV-CYBMUJFWSA-N 1 2 388.559 2.416 20 0 GEADLO C[N@H+](CCN1CCOCC1)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000264868192 645724927 /nfs/dbraw/zinc/72/49/27/645724927.db2.gz QYCJORIYRDQHLE-UHFFFAOYSA-N 1 2 377.819 2.144 20 0 GEADLO C[N@@H+](CCN1CCOCC1)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000264868192 645724934 /nfs/dbraw/zinc/72/49/34/645724934.db2.gz QYCJORIYRDQHLE-UHFFFAOYSA-N 1 2 377.819 2.144 20 0 GEADLO Clc1ccc(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)s1 ZINC000265425224 645759206 /nfs/dbraw/zinc/75/92/06/645759206.db2.gz KSVYAPHUYJDWKA-UHFFFAOYSA-N 1 2 379.917 2.350 20 0 GEADLO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000265984219 645816215 /nfs/dbraw/zinc/81/62/15/645816215.db2.gz ZTYQYJNWTAJGPU-BBRMVZONSA-N 1 2 396.329 2.020 20 0 GEADLO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000265984219 645816221 /nfs/dbraw/zinc/81/62/21/645816221.db2.gz ZTYQYJNWTAJGPU-BBRMVZONSA-N 1 2 396.329 2.020 20 0 GEADLO Cc1c(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)cnn1-c1ccc(Cl)cc1 ZINC000266195437 645832967 /nfs/dbraw/zinc/83/29/67/645832967.db2.gz JGPJXSQKVYRVDK-LBPRGKRZSA-N 1 2 379.873 2.398 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2csc(Br)c2)CC1 ZINC000266970115 645868779 /nfs/dbraw/zinc/86/87/79/645868779.db2.gz WLENRXUCPSOLEH-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1c(F)cccc1Br ZINC000267285937 645895092 /nfs/dbraw/zinc/89/50/92/645895092.db2.gz XZZLNXPUVNIKSD-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO C[C@@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)C[C@H]1[NH+]1CCOCC1 ZINC000267566190 645908090 /nfs/dbraw/zinc/90/80/90/645908090.db2.gz HPJRPWVZSUJLIM-DGCLKSJQSA-N 1 2 379.511 2.451 20 0 GEADLO O=C(C[NH+]1CCC2(CNC(=O)C2)CC1)Nc1nc(-c2cccs2)cs1 ZINC000267770078 645925403 /nfs/dbraw/zinc/92/54/03/645925403.db2.gz GLAURSFGUHYNTB-UHFFFAOYSA-N 1 2 376.507 2.412 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)Cc1c[nH+]cn1C ZINC000268132943 645946722 /nfs/dbraw/zinc/94/67/22/645946722.db2.gz AXMZGLGGGNZBQA-SNVBAGLBSA-N 1 2 375.372 2.381 20 0 GEADLO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547982703 651059730 /nfs/dbraw/zinc/05/97/30/651059730.db2.gz ZJMWCXVHLKJVFM-FZMZJTMJSA-N 1 2 376.869 2.471 20 0 GEADLO Cn1c[nH+]cc1C[S@@](=O)CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000268569843 645979464 /nfs/dbraw/zinc/97/94/64/645979464.db2.gz AEQFDMDJCCDYGV-RUZDIDTESA-N 1 2 377.363 2.143 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N(CCS(C)(=O)=O)C1CC1)c1ccsc1 ZINC000269985092 646080140 /nfs/dbraw/zinc/08/01/40/646080140.db2.gz QAMHEQGPMLZWCF-MRXNPFEDSA-N 1 2 387.571 2.350 20 0 GEADLO COCC1(O)CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000270298644 646101123 /nfs/dbraw/zinc/10/11/23/646101123.db2.gz ADPCZIXJINKFKV-UHFFFAOYSA-N 1 2 378.803 2.353 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270919780 646153110 /nfs/dbraw/zinc/15/31/10/646153110.db2.gz OVWZSIHBNUMENS-CQSZACIVSA-N 1 2 380.286 2.393 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270919780 646153117 /nfs/dbraw/zinc/15/31/17/646153117.db2.gz OVWZSIHBNUMENS-CQSZACIVSA-N 1 2 380.286 2.393 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270919779 646153135 /nfs/dbraw/zinc/15/31/35/646153135.db2.gz OVWZSIHBNUMENS-AWEZNQCLSA-N 1 2 380.286 2.393 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270919779 646153137 /nfs/dbraw/zinc/15/31/37/646153137.db2.gz OVWZSIHBNUMENS-AWEZNQCLSA-N 1 2 380.286 2.393 20 0 GEADLO COC(=O)C1(O)CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000271355560 646195282 /nfs/dbraw/zinc/19/52/82/646195282.db2.gz HPSBOLHRKFXNDU-UHFFFAOYSA-N 1 2 379.254 2.497 20 0 GEADLO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)[C@@H]2C1 ZINC000272553305 646277277 /nfs/dbraw/zinc/27/72/77/646277277.db2.gz DDXZGDHUQLDVKS-SMDDNHRTSA-N 1 2 376.400 2.146 20 0 GEADLO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)[C@@H]2C1 ZINC000272553305 646277281 /nfs/dbraw/zinc/27/72/81/646277281.db2.gz DDXZGDHUQLDVKS-SMDDNHRTSA-N 1 2 376.400 2.146 20 0 GEADLO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)nnn1-c1cccc(Br)c1 ZINC000276730393 646372478 /nfs/dbraw/zinc/37/24/78/646372478.db2.gz FDVKTYZHVYCVDL-MNOVXSKESA-N 1 2 380.290 2.466 20 0 GEADLO C[C@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCS(=O)(=O)C1 ZINC000277331030 646403184 /nfs/dbraw/zinc/40/31/84/646403184.db2.gz YGRJIONOCZICLG-ZDUSSCGKSA-N 1 2 386.543 2.027 20 0 GEADLO COc1ccc([C@H]2NC(=O)N(CCCn3cc[nH+]c3)C2=O)cc1Br ZINC000277544996 646440008 /nfs/dbraw/zinc/44/00/08/646440008.db2.gz WGQKOEBDZPQFJN-CQSZACIVSA-N 1 2 393.241 2.337 20 0 GEADLO O=C1N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1CCC[NH+]1CCOCC1 ZINC000277550768 646440652 /nfs/dbraw/zinc/44/06/52/646440652.db2.gz WMRNRMPYBZLIPF-HNNXBMFYSA-N 1 2 386.279 2.179 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000278251982 646505998 /nfs/dbraw/zinc/50/59/98/646505998.db2.gz HJPYRUFRIFCCAP-BBRMVZONSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000278251982 646506003 /nfs/dbraw/zinc/50/60/03/646506003.db2.gz HJPYRUFRIFCCAP-BBRMVZONSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000278659176 646535868 /nfs/dbraw/zinc/53/58/68/646535868.db2.gz KJMGUTPGNDQLQL-NEPJUHHUSA-N 1 2 394.331 2.365 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000278659176 646535870 /nfs/dbraw/zinc/53/58/70/646535870.db2.gz KJMGUTPGNDQLQL-NEPJUHHUSA-N 1 2 394.331 2.365 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1I ZINC000279045600 646573431 /nfs/dbraw/zinc/57/34/31/646573431.db2.gz BYMMFKYFLKOQTJ-LBPRGKRZSA-N 1 2 388.249 2.084 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(I)c1 ZINC000279421942 646600206 /nfs/dbraw/zinc/60/02/06/646600206.db2.gz XZWXNIKHXAPGGE-GFCCVEGCSA-N 1 2 388.249 2.084 20 0 GEADLO COC(=O)c1nc([C@H]2CCCN2C(=O)[C@H](C)[NH+]2CCSCC2)sc1C ZINC000279656467 646619137 /nfs/dbraw/zinc/61/91/37/646619137.db2.gz KFCZUDNWVIYCNH-WCQYABFASA-N 1 2 383.539 2.339 20 0 GEADLO CCc1n[nH]c(C(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1Br ZINC000279810149 646629181 /nfs/dbraw/zinc/62/91/81/646629181.db2.gz UEKUYJVIBJEFAS-CABZTGNLSA-N 1 2 382.262 2.118 20 0 GEADLO C[C@@]1(C(N)=O)CC[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000280343243 646672313 /nfs/dbraw/zinc/67/23/13/646672313.db2.gz SGDBUGFMXWBBLV-GFCCVEGCSA-N 1 2 377.080 2.304 20 0 GEADLO C[C@@]1(C(N)=O)CC[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000280343243 646672316 /nfs/dbraw/zinc/67/23/16/646672316.db2.gz SGDBUGFMXWBBLV-GFCCVEGCSA-N 1 2 377.080 2.304 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C1(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000280442121 646682374 /nfs/dbraw/zinc/68/23/74/646682374.db2.gz YXBHBQBEJWOOEH-ZDUSSCGKSA-N 1 2 378.416 2.002 20 0 GEADLO Cn1ncc(Br)c1C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000280533039 646692571 /nfs/dbraw/zinc/69/25/71/646692571.db2.gz IPFSWASTCBDCTF-RYUDHWBXSA-N 1 2 383.269 2.021 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000280533039 646692574 /nfs/dbraw/zinc/69/25/74/646692574.db2.gz IPFSWASTCBDCTF-RYUDHWBXSA-N 1 2 383.269 2.021 20 0 GEADLO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000280625921 646699622 /nfs/dbraw/zinc/69/96/22/646699622.db2.gz SGTHVEZEYOGALZ-NSHDSACASA-N 1 2 397.299 2.475 20 0 GEADLO COc1ccc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c(Br)c1 ZINC000281433333 646770864 /nfs/dbraw/zinc/77/08/64/646770864.db2.gz JKPQEPPNULQGHD-UHFFFAOYSA-N 1 2 388.287 2.365 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000281656705 646786651 /nfs/dbraw/zinc/78/66/51/646786651.db2.gz NFMAZGYLVXKXSK-GFCCVEGCSA-N 1 2 380.341 2.155 20 0 GEADLO C[C@@](O)(C[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000282020271 646810769 /nfs/dbraw/zinc/81/07/69/646810769.db2.gz PENDAZVLIOPTEX-OAHLLOKOSA-N 1 2 379.810 2.209 20 0 GEADLO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000288505331 646918676 /nfs/dbraw/zinc/91/86/76/646918676.db2.gz BNCUSZAUURCXSA-BXUZGUMPSA-N 1 2 380.495 2.271 20 0 GEADLO C[C@H](CNC(=O)CCc1cccc(F)c1Br)[NH+]1CCN(C)CC1 ZINC000294887448 647226193 /nfs/dbraw/zinc/22/61/93/647226193.db2.gz FGSJUBPSOYIQFG-CYBMUJFWSA-N 1 2 386.309 2.273 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(Cl)ncc1Br ZINC000308682126 647280588 /nfs/dbraw/zinc/28/05/88/647280588.db2.gz NFLPZHKWBXKQPZ-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(Br)cnc1Cl ZINC000308683115 647280750 /nfs/dbraw/zinc/28/07/50/647280750.db2.gz RATVVCREBVSCNL-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000329094897 647317238 /nfs/dbraw/zinc/31/72/38/647317238.db2.gz XTGPYZRDFNVCEV-BHYGNILZSA-N 1 2 386.286 2.069 20 0 GEADLO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000329094897 647317240 /nfs/dbraw/zinc/31/72/40/647317240.db2.gz XTGPYZRDFNVCEV-BHYGNILZSA-N 1 2 386.286 2.069 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c(Cl)c1Cl ZINC000331270248 647376659 /nfs/dbraw/zinc/37/66/59/647376659.db2.gz KMGCUPCRBPQDIE-MNOVXSKESA-N 1 2 397.324 2.078 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(Cl)c1Cl ZINC000331270248 647376665 /nfs/dbraw/zinc/37/66/65/647376665.db2.gz KMGCUPCRBPQDIE-MNOVXSKESA-N 1 2 397.324 2.078 20 0 GEADLO C[N@@H+]1CCO[C@@H](c2nc(-c3csc(I)c3)no2)C1 ZINC000331516378 647389084 /nfs/dbraw/zinc/38/90/84/647389084.db2.gz DKTCGSLTNNZKEN-MRVPVSSYSA-N 1 2 377.207 2.406 20 0 GEADLO C[N@H+]1CCO[C@@H](c2nc(-c3csc(I)c3)no2)C1 ZINC000331516378 647389087 /nfs/dbraw/zinc/38/90/87/647389087.db2.gz DKTCGSLTNNZKEN-MRVPVSSYSA-N 1 2 377.207 2.406 20 0 GEADLO O=C(Nc1ccncc1Br)NC1CCN(c2cccc[nH+]2)CC1 ZINC000332009398 647406902 /nfs/dbraw/zinc/40/69/02/647406902.db2.gz CZLHLABFYLMINQ-UHFFFAOYSA-N 1 2 376.258 2.452 20 0 GEADLO CC(C)(NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(Cl)c1F ZINC000332630355 647449738 /nfs/dbraw/zinc/44/97/38/647449738.db2.gz QZOHNINFILIYDE-UHFFFAOYSA-N 1 2 378.897 2.356 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C[C@H]1C ZINC000332865414 647454687 /nfs/dbraw/zinc/45/46/87/647454687.db2.gz HZRPQHHHNDTEFA-CXTNEJHOSA-N 1 2 385.555 2.479 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C[C@H]1C ZINC000332865414 647454690 /nfs/dbraw/zinc/45/46/90/647454690.db2.gz HZRPQHHHNDTEFA-CXTNEJHOSA-N 1 2 385.555 2.479 20 0 GEADLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000333087392 647459976 /nfs/dbraw/zinc/45/99/76/647459976.db2.gz YRBZYVXFBRPUMA-CYBMUJFWSA-N 1 2 397.317 2.232 20 0 GEADLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2[nH]nc(C3CC3)c2Br)C1 ZINC000333087392 647459979 /nfs/dbraw/zinc/45/99/79/647459979.db2.gz YRBZYVXFBRPUMA-CYBMUJFWSA-N 1 2 397.317 2.232 20 0 GEADLO Cc1cc(Br)cn2cc(CCN3C(=O)[C@@H]4C[C@H](F)CN4C3=O)[nH+]c12 ZINC000348558780 647493793 /nfs/dbraw/zinc/49/37/93/647493793.db2.gz ABOZXCVVOUFULO-AAEUAGOBSA-N 1 2 395.232 2.322 20 0 GEADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2csc(-c3ccsc3)n2)CC1 ZINC000363098355 647584349 /nfs/dbraw/zinc/58/43/49/647584349.db2.gz MDXISIWHNAZZCR-UHFFFAOYSA-N 1 2 378.523 2.108 20 0 GEADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2csc(-c3ccsc3)n2)CC1 ZINC000363098355 647584360 /nfs/dbraw/zinc/58/43/60/647584360.db2.gz MDXISIWHNAZZCR-UHFFFAOYSA-N 1 2 378.523 2.108 20 0 GEADLO C[NH+]1CCN(C[C@H]2CCCN(C(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000365104313 647659206 /nfs/dbraw/zinc/65/92/06/647659206.db2.gz HIPQVPGGMRHZSW-QGZVFWFLSA-N 1 2 394.357 2.478 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000365110955 647659574 /nfs/dbraw/zinc/65/95/74/647659574.db2.gz NMTNWQAYTLPPFS-UONOGXRCSA-N 1 2 376.881 2.152 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000365110955 647659575 /nfs/dbraw/zinc/65/95/75/647659575.db2.gz NMTNWQAYTLPPFS-UONOGXRCSA-N 1 2 376.881 2.152 20 0 GEADLO C[C@H](CS(C)(=O)=O)NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000365332752 647667838 /nfs/dbraw/zinc/66/78/38/647667838.db2.gz FRERIHUBQKGJEH-XPKDYRNWSA-N 1 2 387.933 2.065 20 0 GEADLO C[C@H](CS(C)(=O)=O)NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000365332752 647667840 /nfs/dbraw/zinc/66/78/40/647667840.db2.gz FRERIHUBQKGJEH-XPKDYRNWSA-N 1 2 387.933 2.065 20 0 GEADLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000366991752 647713496 /nfs/dbraw/zinc/71/34/96/647713496.db2.gz ZQYQGBMTQQJIKO-HNNXBMFYSA-N 1 2 381.885 2.220 20 0 GEADLO O=S(=O)(c1ccccc1Br)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000367529359 647735864 /nfs/dbraw/zinc/73/58/64/647735864.db2.gz OBQXIIMCAFTWSX-LBPRGKRZSA-N 1 2 391.356 2.261 20 0 GEADLO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368645305 647762727 /nfs/dbraw/zinc/76/27/27/647762727.db2.gz QVJFQIWZTJTCHV-XJKSGUPXSA-N 1 2 388.295 2.189 20 0 GEADLO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368645305 647762734 /nfs/dbraw/zinc/76/27/34/647762734.db2.gz QVJFQIWZTJTCHV-XJKSGUPXSA-N 1 2 388.295 2.189 20 0 GEADLO CCN(C[C@@H](O)C(F)(F)F)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000372463944 647805394 /nfs/dbraw/zinc/80/53/94/647805394.db2.gz KSYKYGMQGMPRAQ-CYBMUJFWSA-N 1 2 380.436 2.062 20 0 GEADLO C[C@H]1C[N@@H+](C2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)CCO1 ZINC000376289972 647842140 /nfs/dbraw/zinc/84/21/40/647842140.db2.gz PYPZMQFVFPGMKQ-NSHDSACASA-N 1 2 394.871 2.492 20 0 GEADLO C[C@H]1C[N@H+](C2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)CCO1 ZINC000376289972 647842143 /nfs/dbraw/zinc/84/21/43/647842143.db2.gz PYPZMQFVFPGMKQ-NSHDSACASA-N 1 2 394.871 2.492 20 0 GEADLO CN1CC[C@@H]([NH2+]Cc2nnc(S(C)(=O)=O)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000377672474 647864639 /nfs/dbraw/zinc/86/46/39/647864639.db2.gz RATAXTCVVXVXKL-OCCSQVGLSA-N 1 2 386.930 2.130 20 0 GEADLO OC[C@]1(O)CCC[N@H+](Cc2cc(Cl)ccc2I)C1 ZINC000405236983 647909351 /nfs/dbraw/zinc/90/93/51/647909351.db2.gz YYPDLRWBUFJZNA-ZDUSSCGKSA-N 1 2 381.641 2.264 20 0 GEADLO OC[C@]1(O)CCC[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC000405236983 647909353 /nfs/dbraw/zinc/90/93/53/647909353.db2.gz YYPDLRWBUFJZNA-ZDUSSCGKSA-N 1 2 381.641 2.264 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(Br)c1 ZINC000408035775 647920279 /nfs/dbraw/zinc/92/02/79/647920279.db2.gz NKFQKJCDSBEGOA-HUUCEWRRSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(Br)c1 ZINC000408035775 647920284 /nfs/dbraw/zinc/92/02/84/647920284.db2.gz NKFQKJCDSBEGOA-HUUCEWRRSA-N 1 2 384.274 2.395 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000409712099 647980552 /nfs/dbraw/zinc/98/05/52/647980552.db2.gz XGFINVXIPJVXJA-DOMZBBRYSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000409712099 647980554 /nfs/dbraw/zinc/98/05/54/647980554.db2.gz XGFINVXIPJVXJA-DOMZBBRYSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@H](c1ncc(Br)cn1)[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411964924 648040288 /nfs/dbraw/zinc/04/02/88/648040288.db2.gz JOBJLUINKJAWTG-SJKOYZFVSA-N 1 2 375.270 2.429 20 0 GEADLO C[C@H](c1ncc(Br)cn1)[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411964924 648040292 /nfs/dbraw/zinc/04/02/92/648040292.db2.gz JOBJLUINKJAWTG-SJKOYZFVSA-N 1 2 375.270 2.429 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nccc2cc(Br)ccc21 ZINC000413175232 648062076 /nfs/dbraw/zinc/06/20/76/648062076.db2.gz JOULMRVZLXDJOK-OAHLLOKOSA-N 1 2 380.286 2.127 20 0 GEADLO C[C@H](O)[C@@H]1CCN(c2cc(N(C)Cc3cc(Br)cn3C)nc[nH+]2)C1 ZINC000413189898 648062437 /nfs/dbraw/zinc/06/24/37/648062437.db2.gz JGZCYBZZHQKUBG-QWHCGFSZSA-N 1 2 394.317 2.421 20 0 GEADLO C[C@H](O)[C@@H]1CCN(c2cc(N(C)Cc3cc(Br)cn3C)[nH+]cn2)C1 ZINC000413189898 648062445 /nfs/dbraw/zinc/06/24/45/648062445.db2.gz JGZCYBZZHQKUBG-QWHCGFSZSA-N 1 2 394.317 2.421 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccc(Br)c1Cl ZINC000413880620 648080679 /nfs/dbraw/zinc/08/06/79/648080679.db2.gz LXWQUDCKENEWJB-ZDUSSCGKSA-N 1 2 399.676 2.189 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc(Br)c1Cl ZINC000413880620 648080683 /nfs/dbraw/zinc/08/06/83/648080683.db2.gz LXWQUDCKENEWJB-ZDUSSCGKSA-N 1 2 399.676 2.189 20 0 GEADLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)CC1 ZINC000416495073 648148393 /nfs/dbraw/zinc/14/83/93/648148393.db2.gz KOUIPCYGSZAZME-LBPRGKRZSA-N 1 2 387.933 2.113 20 0 GEADLO CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000416495376 648148597 /nfs/dbraw/zinc/14/85/97/648148597.db2.gz LOUMTDRNAAEBQN-UHFFFAOYSA-N 1 2 381.885 2.498 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)c2ccc(Br)c(Cl)c2)c1 ZINC000416538311 648164939 /nfs/dbraw/zinc/16/49/39/648164939.db2.gz VYUSQEUBSBQPAY-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000416659477 648204800 /nfs/dbraw/zinc/20/48/00/648204800.db2.gz HFDSLDXIJJMVDN-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C[N@H+]1CCO ZINC000416659477 648204807 /nfs/dbraw/zinc/20/48/07/648204807.db2.gz HFDSLDXIJJMVDN-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000416664018 648206027 /nfs/dbraw/zinc/20/60/27/648206027.db2.gz MSMVTPUOYJRIOG-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000416664018 648206030 /nfs/dbraw/zinc/20/60/30/648206030.db2.gz MSMVTPUOYJRIOG-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO Fc1ccc(CNC[C@H]2C[N@@H+](C3CC3)CCO2)c(I)c1 ZINC000417891918 648264908 /nfs/dbraw/zinc/26/49/08/648264908.db2.gz CKEUTTQXMVICFO-AWEZNQCLSA-N 1 2 390.240 2.383 20 0 GEADLO Fc1ccc(CNC[C@H]2C[N@H+](C3CC3)CCO2)c(I)c1 ZINC000417891918 648264911 /nfs/dbraw/zinc/26/49/11/648264911.db2.gz CKEUTTQXMVICFO-AWEZNQCLSA-N 1 2 390.240 2.383 20 0 GEADLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1sc(C)cc1Br ZINC000418120419 648282338 /nfs/dbraw/zinc/28/23/38/648282338.db2.gz HQGNQZVHIOOLGF-NSHDSACASA-N 1 2 375.288 2.073 20 0 GEADLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1sc(C)cc1Br ZINC000418120419 648282346 /nfs/dbraw/zinc/28/23/46/648282346.db2.gz HQGNQZVHIOOLGF-NSHDSACASA-N 1 2 375.288 2.073 20 0 GEADLO Cc1nc(CNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)sc1Br ZINC000418232293 648289039 /nfs/dbraw/zinc/28/90/39/648289039.db2.gz CZVAHERGFNIIHZ-MRVPVSSYSA-N 1 2 383.262 2.258 20 0 GEADLO CC[C@@H](C[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)OC ZINC000419199090 648341173 /nfs/dbraw/zinc/34/11/73/648341173.db2.gz LIUOBFNOAVBQDH-AWEZNQCLSA-N 1 2 380.432 2.437 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)N1C[C@@H](C)[NH2+]Cc2ccc(F)cc21 ZINC000420465523 648418687 /nfs/dbraw/zinc/41/86/87/648418687.db2.gz VTXICHOYNFEEGB-SNVBAGLBSA-N 1 2 384.454 2.361 20 0 GEADLO Cc1cc(CNC(=O)C(=O)Nc2cc(C)c(Br)cn2)cc(C)[nH+]1 ZINC000421252237 648479217 /nfs/dbraw/zinc/47/92/17/648479217.db2.gz SQLBTKFMQPVFQU-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423109724 648581004 /nfs/dbraw/zinc/58/10/04/648581004.db2.gz ODYYNSVMMDQUSP-AWEZNQCLSA-N 1 2 397.298 2.359 20 0 GEADLO [NH3+][C@@H](C(=O)NCCc1ccc(I)s1)c1cscn1 ZINC000423137771 648584007 /nfs/dbraw/zinc/58/40/07/648584007.db2.gz RMGMZRCIDBBMSV-SNVBAGLBSA-N 1 2 393.275 2.168 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(Br)ccc1F ZINC000520188164 648645519 /nfs/dbraw/zinc/64/55/19/648645519.db2.gz YMMWGQXHXHGTFV-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc(C)c1Br ZINC000426176047 648706045 /nfs/dbraw/zinc/70/60/45/648706045.db2.gz KVWQPNVNEWGRHG-LBPRGKRZSA-N 1 2 391.269 2.332 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000426181327 648706708 /nfs/dbraw/zinc/70/67/08/648706708.db2.gz ZJCZDNKYGZRYDR-BXUZGUMPSA-N 1 2 384.889 2.465 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000426181327 648706716 /nfs/dbraw/zinc/70/67/16/648706716.db2.gz ZJCZDNKYGZRYDR-BXUZGUMPSA-N 1 2 384.889 2.465 20 0 GEADLO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000426524771 648710883 /nfs/dbraw/zinc/71/08/83/648710883.db2.gz PYBZMPSLOXMFCO-OAHLLOKOSA-N 1 2 380.794 2.176 20 0 GEADLO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000426524771 648710886 /nfs/dbraw/zinc/71/08/86/648710886.db2.gz PYBZMPSLOXMFCO-OAHLLOKOSA-N 1 2 380.794 2.176 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000427055992 648721137 /nfs/dbraw/zinc/72/11/37/648721137.db2.gz BKHCXRWROYMNKH-GFCCVEGCSA-N 1 2 377.242 2.024 20 0 GEADLO CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000427717724 648726091 /nfs/dbraw/zinc/72/60/91/648726091.db2.gz DELYOSLSMWICAT-JTQLQIEISA-N 1 2 382.299 2.305 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435664203 648784969 /nfs/dbraw/zinc/78/49/69/648784969.db2.gz LRNXGRDJORZMOA-GXFFZTMASA-N 1 2 377.242 2.276 20 0 GEADLO CS[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2O)C[C@H]1[NH+](C)C ZINC000436845896 648795738 /nfs/dbraw/zinc/79/57/38/648795738.db2.gz AQYADRWSXVAXTA-VXGBXAGGSA-N 1 2 377.279 2.411 20 0 GEADLO O=C(NCCCC[NH+]1CCOCC1)c1cc(F)cc(Br)c1O ZINC000436848722 648796386 /nfs/dbraw/zinc/79/63/86/648796386.db2.gz PPXGMQZJQSPBGJ-UHFFFAOYSA-N 1 2 375.238 2.136 20 0 GEADLO CCS(=O)(=O)c1ccc2oc(C[N@H+](CCO)[C@H]3CCCSC3)nc2c1 ZINC000439003295 648807497 /nfs/dbraw/zinc/80/74/97/648807497.db2.gz FOIVRGRVQXXOSR-ZDUSSCGKSA-N 1 2 384.523 2.311 20 0 GEADLO CCS(=O)(=O)c1ccc2oc(C[N@@H+](CCO)[C@H]3CCCSC3)nc2c1 ZINC000439003295 648807499 /nfs/dbraw/zinc/80/74/99/648807499.db2.gz FOIVRGRVQXXOSR-ZDUSSCGKSA-N 1 2 384.523 2.311 20 0 GEADLO Nc1ncc(Cl)cc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000443714891 648885088 /nfs/dbraw/zinc/88/50/88/648885088.db2.gz CWTZBCFULWLYOF-UHFFFAOYSA-N 1 2 381.820 2.121 20 0 GEADLO CCCCN(CCCC)S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000443739367 648885515 /nfs/dbraw/zinc/88/55/15/648885515.db2.gz PBTZSZMBUIAPOU-UHFFFAOYSA-N 1 2 377.595 2.424 20 0 GEADLO O=S(=O)(NCC[NH+]1CCSCC1)c1ccc(Br)c(Cl)c1 ZINC000443773486 648887261 /nfs/dbraw/zinc/88/72/61/648887261.db2.gz PPCBHPUGJSQPAQ-UHFFFAOYSA-N 1 2 399.763 2.430 20 0 GEADLO O=C(NC1CC1)[C@@H](O)C1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000548351651 651077380 /nfs/dbraw/zinc/07/73/80/651077380.db2.gz ULMNRRIVOBEUHB-INIZCTEOSA-N 1 2 385.277 2.440 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548608687 651081930 /nfs/dbraw/zinc/08/19/30/651081930.db2.gz RYJAQBKKNURZOC-ZDUSSCGKSA-N 1 2 379.258 2.468 20 0 GEADLO Cc1cc(NC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)c(C)c[nH+]1 ZINC000548745958 651084392 /nfs/dbraw/zinc/08/43/92/651084392.db2.gz BJRRPJIZZLVXHB-AWEZNQCLSA-N 1 2 377.242 2.231 20 0 GEADLO CN1CC[NH+](CCCCNC(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000548872463 651088250 /nfs/dbraw/zinc/08/82/50/651088250.db2.gz RPYSLBDOTRSZFP-UHFFFAOYSA-N 1 2 394.317 2.083 20 0 GEADLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000548924615 651089290 /nfs/dbraw/zinc/08/92/90/651089290.db2.gz MSPCRNGSBKXTTL-AWEZNQCLSA-N 1 2 377.432 2.158 20 0 GEADLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000548924615 651089293 /nfs/dbraw/zinc/08/92/93/651089293.db2.gz MSPCRNGSBKXTTL-AWEZNQCLSA-N 1 2 377.432 2.158 20 0 GEADLO CC[C@@H]1CN(CCCC[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@@]1=O ZINC000552017683 651138218 /nfs/dbraw/zinc/13/82/18/651138218.db2.gz VEVCWZUPFARRPR-UGCBEVCYSA-N 1 2 376.632 2.229 20 0 GEADLO CC[C@@H]1CN(CCCC[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@@]1=O ZINC000552017683 651138219 /nfs/dbraw/zinc/13/82/19/651138219.db2.gz VEVCWZUPFARRPR-UGCBEVCYSA-N 1 2 376.632 2.229 20 0 GEADLO CC[C@@H]1CN(CCCC[N@@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@@]1=O ZINC000552017683 651138220 /nfs/dbraw/zinc/13/82/20/651138220.db2.gz VEVCWZUPFARRPR-UGCBEVCYSA-N 1 2 376.632 2.229 20 0 GEADLO CC[C@@H]1CN(CCCC[N@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@@]1=O ZINC000552017683 651138221 /nfs/dbraw/zinc/13/82/21/651138221.db2.gz VEVCWZUPFARRPR-UGCBEVCYSA-N 1 2 376.632 2.229 20 0 GEADLO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000553796884 651189157 /nfs/dbraw/zinc/18/91/57/651189157.db2.gz ZNHFSNREOSQYMJ-ABAIWWIYSA-N 1 2 382.233 2.197 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccc(Br)cc1 ZINC000553922452 651194283 /nfs/dbraw/zinc/19/42/83/651194283.db2.gz VQZQPCRBFARPET-PBHICJAKSA-N 1 2 396.329 2.496 20 0 GEADLO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555073752 651217457 /nfs/dbraw/zinc/21/74/57/651217457.db2.gz HEQVMMVYZCBYRH-NSHDSACASA-N 1 2 375.803 2.050 20 0 GEADLO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555073752 651217463 /nfs/dbraw/zinc/21/74/63/651217463.db2.gz HEQVMMVYZCBYRH-NSHDSACASA-N 1 2 375.803 2.050 20 0 GEADLO O=S(=O)(CC[N@@H+]1CC[C@H](n2cccn2)C1)c1ccc(Br)cc1 ZINC000555259459 651221350 /nfs/dbraw/zinc/22/13/50/651221350.db2.gz NEGOMTSQDNAJMO-AWEZNQCLSA-N 1 2 384.299 2.366 20 0 GEADLO O=S(=O)(CC[N@H+]1CC[C@H](n2cccn2)C1)c1ccc(Br)cc1 ZINC000555259459 651221353 /nfs/dbraw/zinc/22/13/53/651221353.db2.gz NEGOMTSQDNAJMO-AWEZNQCLSA-N 1 2 384.299 2.366 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000555366895 651224171 /nfs/dbraw/zinc/22/41/71/651224171.db2.gz MOUKOGIVQZZBDM-UHFFFAOYSA-N 1 2 378.523 2.205 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000555366895 651224177 /nfs/dbraw/zinc/22/41/77/651224177.db2.gz MOUKOGIVQZZBDM-UHFFFAOYSA-N 1 2 378.523 2.205 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(Br)c4c3OCCC4)C[C@H]21 ZINC000556462699 651244793 /nfs/dbraw/zinc/24/47/93/651244793.db2.gz ORWPFVYSURUMJQ-HZPDHXFCSA-N 1 2 395.297 2.319 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(Br)c4c3OCCC4)C[C@H]21 ZINC000556462699 651244794 /nfs/dbraw/zinc/24/47/94/651244794.db2.gz ORWPFVYSURUMJQ-HZPDHXFCSA-N 1 2 395.297 2.319 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(Br)c1 ZINC000556598501 651247287 /nfs/dbraw/zinc/24/72/87/651247287.db2.gz PRZXLFQFDGUFKR-NJZAAPMLSA-N 1 2 381.270 2.322 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(Br)c1 ZINC000556598501 651247291 /nfs/dbraw/zinc/24/72/91/651247291.db2.gz PRZXLFQFDGUFKR-NJZAAPMLSA-N 1 2 381.270 2.322 20 0 GEADLO COc1ccc(OCc2nc(C[NH2+][C@H]3CCCS(=O)(=O)C3)cs2)cc1 ZINC000557830463 651274356 /nfs/dbraw/zinc/27/43/56/651274356.db2.gz FATHDTHWAPYQEQ-ZDUSSCGKSA-N 1 2 382.507 2.398 20 0 GEADLO COC(=O)c1ccc(Br)cc1CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000558741730 651284103 /nfs/dbraw/zinc/28/41/03/651284103.db2.gz KJEZQJODHWVUCE-ZDUSSCGKSA-N 1 2 385.302 2.388 20 0 GEADLO COC(=O)[C@@H]([NH3+])Cc1cn(Cc2csc(-c3ccc(Cl)cc3)n2)nn1 ZINC000603202026 651471634 /nfs/dbraw/zinc/47/16/34/651471634.db2.gz ANDPKGPHYWRLHA-AWEZNQCLSA-N 1 2 377.857 2.146 20 0 GEADLO O=C(NCCn1cc(Br)cn1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000561568089 651480984 /nfs/dbraw/zinc/48/09/84/651480984.db2.gz PKISDNJEYUXNPF-UHFFFAOYSA-N 1 2 389.257 2.331 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCOc2cccc(Cl)c2Cl)CCO1 ZINC000726254755 651488391 /nfs/dbraw/zinc/48/83/91/651488391.db2.gz GIYWTMAABRZGOS-GFCCVEGCSA-N 1 2 376.284 2.392 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCOc2cccc(Cl)c2Cl)CCO1 ZINC000726254755 651488394 /nfs/dbraw/zinc/48/83/94/651488394.db2.gz GIYWTMAABRZGOS-GFCCVEGCSA-N 1 2 376.284 2.392 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCc3c(Br)cccc3C2)CCO1 ZINC000726260950 651488638 /nfs/dbraw/zinc/48/86/38/651488638.db2.gz YZJBPNVYWZZBTH-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCc3c(Br)cccc3C2)CCO1 ZINC000726260950 651488642 /nfs/dbraw/zinc/48/86/42/651488642.db2.gz YZJBPNVYWZZBTH-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Nc2cccc(I)c2)CCO1 ZINC000726260222 651488897 /nfs/dbraw/zinc/48/88/97/651488897.db2.gz LFYIJEXTHBHUHL-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cccc(I)c2)CCO1 ZINC000726260222 651488900 /nfs/dbraw/zinc/48/89/00/651488900.db2.gz LFYIJEXTHBHUHL-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)c1ncc(I)s1 ZINC000603428408 651490394 /nfs/dbraw/zinc/49/03/94/651490394.db2.gz RRQUYZOVIJOKAT-UHFFFAOYSA-N 1 2 388.234 2.375 20 0 GEADLO COc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)c1 ZINC000603824543 651499246 /nfs/dbraw/zinc/49/92/46/651499246.db2.gz AOPICPJGFUEDEX-UHFFFAOYSA-N 1 2 378.422 2.295 20 0 GEADLO COC(=O)[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000604528862 651516043 /nfs/dbraw/zinc/51/60/43/651516043.db2.gz OHLBZURGTNZOKU-OAHLLOKOSA-N 1 2 380.242 2.456 20 0 GEADLO NC(=O)C[N@H+](CCC1CCCCC1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000563215014 651516482 /nfs/dbraw/zinc/51/64/82/651516482.db2.gz HCRCDHPEGYLZPU-UHFFFAOYSA-N 1 2 387.933 2.245 20 0 GEADLO NC(=O)C[N@@H+](CCC1CCCCC1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000563215014 651516489 /nfs/dbraw/zinc/51/64/89/651516489.db2.gz HCRCDHPEGYLZPU-UHFFFAOYSA-N 1 2 387.933 2.245 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)c2sccc2Cl)CC1 ZINC000563417016 651523585 /nfs/dbraw/zinc/52/35/85/651523585.db2.gz NFDKFCGFJOCYPG-UHFFFAOYSA-N 1 2 393.962 2.013 20 0 GEADLO C[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CCS(C)(=O)=O ZINC000728053597 651536142 /nfs/dbraw/zinc/53/61/42/651536142.db2.gz AJFGWPKKTMSFRV-GOSISDBHSA-N 1 2 380.535 2.320 20 0 GEADLO C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CCS(C)(=O)=O ZINC000728053597 651536146 /nfs/dbraw/zinc/53/61/46/651536146.db2.gz AJFGWPKKTMSFRV-GOSISDBHSA-N 1 2 380.535 2.320 20 0 GEADLO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Br)c1O ZINC000605893277 651546831 /nfs/dbraw/zinc/54/68/31/651546831.db2.gz WXAHSVODPQNJMV-LBPRGKRZSA-N 1 2 383.286 2.385 20 0 GEADLO O=C(NCc1n[nH]cc1Br)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000606481590 651555472 /nfs/dbraw/zinc/55/54/72/651555472.db2.gz MHDLVDOLSURIBP-UHFFFAOYSA-N 1 2 379.262 2.167 20 0 GEADLO Cc1cn2cc(NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)ccc2[nH+]1 ZINC000606752869 651558614 /nfs/dbraw/zinc/55/86/14/651558614.db2.gz PVJLXNHKJXYVPQ-UHFFFAOYSA-N 1 2 379.463 2.155 20 0 GEADLO Cn1cc(Br)c(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)n1 ZINC000644994457 651582076 /nfs/dbraw/zinc/58/20/76/651582076.db2.gz XHLKQKQDLIUQMW-UHFFFAOYSA-N 1 2 377.286 2.202 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCNC(=O)NC(C)C ZINC000564911508 651584764 /nfs/dbraw/zinc/58/47/64/651584764.db2.gz MUIMLWTZYODADR-UHFFFAOYSA-N 1 2 385.306 2.335 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCNC(=O)NC(C)C ZINC000564911508 651584766 /nfs/dbraw/zinc/58/47/66/651584766.db2.gz MUIMLWTZYODADR-UHFFFAOYSA-N 1 2 385.306 2.335 20 0 GEADLO COc1cc(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)c(Br)cc1O ZINC000645178621 651591780 /nfs/dbraw/zinc/59/17/80/651591780.db2.gz ODXWTJADANVECQ-JTQLQIEISA-N 1 2 383.246 2.248 20 0 GEADLO C[N@H+](CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O)[C@@H]1CCOC1 ZINC000730257975 651593197 /nfs/dbraw/zinc/59/31/97/651593197.db2.gz CQDUMGZWOBQSHU-PBHICJAKSA-N 1 2 381.270 2.144 20 0 GEADLO C[N@@H+](CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O)[C@@H]1CCOC1 ZINC000730257975 651593199 /nfs/dbraw/zinc/59/31/99/651593199.db2.gz CQDUMGZWOBQSHU-PBHICJAKSA-N 1 2 381.270 2.144 20 0 GEADLO C[N@H+](CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O)[C@H]1CCOC1 ZINC000730257977 651593221 /nfs/dbraw/zinc/59/32/21/651593221.db2.gz CQDUMGZWOBQSHU-WMLDXEAASA-N 1 2 381.270 2.144 20 0 GEADLO C[N@@H+](CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O)[C@H]1CCOC1 ZINC000730257977 651593223 /nfs/dbraw/zinc/59/32/23/651593223.db2.gz CQDUMGZWOBQSHU-WMLDXEAASA-N 1 2 381.270 2.144 20 0 GEADLO O=S1(=O)CC[C@@]2(C1)CN(c1cc[nH+]c3c(Br)cccc13)CCO2 ZINC000645343928 651598230 /nfs/dbraw/zinc/59/82/30/651598230.db2.gz CBPGVUCQVYONDH-INIZCTEOSA-N 1 2 397.294 2.391 20 0 GEADLO COc1cc(CNc2cc(N3CCOCC3)nc[nH+]2)c(Br)cc1O ZINC000645409847 651602071 /nfs/dbraw/zinc/60/20/71/651602071.db2.gz FDSCJSNRLSKCKZ-UHFFFAOYSA-N 1 2 395.257 2.402 20 0 GEADLO COc1cc(CNc2cc(N3CCOCC3)[nH+]cn2)c(Br)cc1O ZINC000645409847 651602079 /nfs/dbraw/zinc/60/20/79/651602079.db2.gz FDSCJSNRLSKCKZ-UHFFFAOYSA-N 1 2 395.257 2.402 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000567233743 651620037 /nfs/dbraw/zinc/62/00/37/651620037.db2.gz PCJNEYXATWWOFY-UICACZKSSA-N 1 2 394.313 2.467 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000567233743 651620043 /nfs/dbraw/zinc/62/00/43/651620043.db2.gz PCJNEYXATWWOFY-UICACZKSSA-N 1 2 394.313 2.467 20 0 GEADLO CCCC[C@@H](CC)CNC(=S)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731570646 651628801 /nfs/dbraw/zinc/62/88/01/651628801.db2.gz ZMKQWWFNRGINIZ-OAHLLOKOSA-N 1 2 377.620 2.176 20 0 GEADLO Cc1c(Cl)cccc1NC(=S)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731568880 651628812 /nfs/dbraw/zinc/62/88/12/651628812.db2.gz FBLZIBGXNOFILV-UHFFFAOYSA-N 1 2 389.974 2.444 20 0 GEADLO CC(C)C[C@@H]1NC(=O)N(C[NH+]2CCC(n3cc(Br)cn3)CC2)C1=O ZINC000731662158 651630271 /nfs/dbraw/zinc/63/02/71/651630271.db2.gz KINLRARUKVDCCB-AWEZNQCLSA-N 1 2 398.305 2.207 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)Cc1cscc1Br)C2 ZINC000568039829 651647322 /nfs/dbraw/zinc/64/73/22/651647322.db2.gz ZPNXZURNPQIWNL-LBPRGKRZSA-N 1 2 398.326 2.224 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000645770551 651648280 /nfs/dbraw/zinc/64/82/80/651648280.db2.gz VKWJGLKATVEQPH-OAHLLOKOSA-N 1 2 382.302 2.062 20 0 GEADLO O=C(NC[C@@H]1CC1(Cl)Cl)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732443346 651657966 /nfs/dbraw/zinc/65/79/66/651657966.db2.gz WYUVTDOFDFJUEF-JKSUJKDBSA-N 1 2 386.323 2.423 20 0 GEADLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000568274917 651660541 /nfs/dbraw/zinc/66/05/41/651660541.db2.gz OLEDKHYOONTLKU-QHCPKHFHSA-N 1 2 386.926 2.357 20 0 GEADLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000568274917 651660545 /nfs/dbraw/zinc/66/05/45/651660545.db2.gz OLEDKHYOONTLKU-QHCPKHFHSA-N 1 2 386.926 2.357 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000611002661 651698705 /nfs/dbraw/zinc/69/87/05/651698705.db2.gz VKJPTJUIRCIZIR-GFCCVEGCSA-N 1 2 383.857 2.349 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000733298586 651698888 /nfs/dbraw/zinc/69/88/88/651698888.db2.gz CEBOLXNABSYUHW-NSHDSACASA-N 1 2 390.481 2.322 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000733298586 651698889 /nfs/dbraw/zinc/69/88/89/651698889.db2.gz CEBOLXNABSYUHW-NSHDSACASA-N 1 2 390.481 2.322 20 0 GEADLO CN(C(=O)[C@H]1CSCN1C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC1 ZINC000569234829 651703600 /nfs/dbraw/zinc/70/36/00/651703600.db2.gz LYWXPDRVSBEKKU-CVEARBPZSA-N 1 2 381.929 2.465 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(I)cc2)C[C@H]1C ZINC000611083916 651705895 /nfs/dbraw/zinc/70/58/95/651705895.db2.gz NZNTZDOHKSOJOW-LLVKDONJSA-N 1 2 394.278 2.006 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(I)cc2)C[C@H]1C ZINC000611083916 651705900 /nfs/dbraw/zinc/70/59/00/651705900.db2.gz NZNTZDOHKSOJOW-LLVKDONJSA-N 1 2 394.278 2.006 20 0 GEADLO Cn1c[nH+]cc1CC(=O)NCc1c(Br)cncc1Br ZINC000569781909 651723825 /nfs/dbraw/zinc/72/38/25/651723825.db2.gz NOJNCUPAZDPQMS-UHFFFAOYSA-N 1 2 388.063 2.199 20 0 GEADLO NC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000569903827 651732461 /nfs/dbraw/zinc/73/24/61/651732461.db2.gz JIQFKBOPALHGEB-VNQPRFMTSA-N 1 2 394.313 2.356 20 0 GEADLO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000647312224 651743401 /nfs/dbraw/zinc/74/34/01/651743401.db2.gz QPOLRFVMVPDAJI-AWEZNQCLSA-N 1 2 395.294 2.170 20 0 GEADLO C[C@@H](C[NH+](C)C)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000570304760 651759719 /nfs/dbraw/zinc/75/97/19/651759719.db2.gz LKFGHFLKIYZDPN-NSHDSACASA-N 1 2 383.499 2.016 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000570345760 651761935 /nfs/dbraw/zinc/76/19/35/651761935.db2.gz VAVACTXWHCSUJT-ZJUUUORDSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000570345760 651761939 /nfs/dbraw/zinc/76/19/39/651761939.db2.gz VAVACTXWHCSUJT-ZJUUUORDSA-N 1 2 395.294 2.310 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCSC(C)(C)C1)c1ccccc1Cl ZINC000570545829 651773807 /nfs/dbraw/zinc/77/38/07/651773807.db2.gz SFAZHYKBABVJNY-OAHLLOKOSA-N 1 2 383.945 2.413 20 0 GEADLO C[C@@H]1CSCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000570717218 651785987 /nfs/dbraw/zinc/78/59/87/651785987.db2.gz UNGCAASJPAQBQL-UHOFOFEASA-N 1 2 381.929 2.165 20 0 GEADLO C[C@@H]1CSCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000570717218 651785992 /nfs/dbraw/zinc/78/59/92/651785992.db2.gz UNGCAASJPAQBQL-UHOFOFEASA-N 1 2 381.929 2.165 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@@H+]1CCO ZINC000613698076 651793094 /nfs/dbraw/zinc/79/30/94/651793094.db2.gz PRVCAUSQPZMXAG-GFCCVEGCSA-N 1 2 394.269 2.243 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC[N@H+]1CCO ZINC000613698076 651793096 /nfs/dbraw/zinc/79/30/96/651793096.db2.gz PRVCAUSQPZMXAG-GFCCVEGCSA-N 1 2 394.269 2.243 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)C[C@@H](C)COC)CC2)cs1 ZINC000570973918 651803348 /nfs/dbraw/zinc/80/33/48/651803348.db2.gz DYKDBIVQLASABG-AWEZNQCLSA-N 1 2 389.587 2.119 20 0 GEADLO O=S(=O)(CCOCC(F)(F)F)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000571205844 651817529 /nfs/dbraw/zinc/81/75/29/651817529.db2.gz DPFSWLCWLWFTBT-UHFFFAOYSA-N 1 2 383.436 2.284 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1nn(C(C)(C)C)cc1Br ZINC000614718189 651834508 /nfs/dbraw/zinc/83/45/08/651834508.db2.gz QIEKFKIVJFKWNB-STQMWFEESA-N 1 2 399.333 2.336 20 0 GEADLO O=C(COC(=O)c1ccc(Cl)cn1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000736864728 651835003 /nfs/dbraw/zinc/83/50/03/651835003.db2.gz SRNLNGDKSXJPBM-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3nscc3Br)cc2C1 ZINC000649974737 651838415 /nfs/dbraw/zinc/83/84/15/651838415.db2.gz AMWZDBCYSWASMV-UHFFFAOYSA-N 1 2 395.282 2.001 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3nscc3Br)cc2C1 ZINC000649974737 651838419 /nfs/dbraw/zinc/83/84/19/651838419.db2.gz AMWZDBCYSWASMV-UHFFFAOYSA-N 1 2 395.282 2.001 20 0 GEADLO C[C@@H]1CC[C@H]([N@H+](CCO)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000571569410 651841241 /nfs/dbraw/zinc/84/12/41/651841241.db2.gz BXDYAGMMNRTKNI-OLZOCXBDSA-N 1 2 388.917 2.165 20 0 GEADLO C[C@@H]1CC[C@H]([N@@H+](CCO)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000571569410 651841242 /nfs/dbraw/zinc/84/12/42/651841242.db2.gz BXDYAGMMNRTKNI-OLZOCXBDSA-N 1 2 388.917 2.165 20 0 GEADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615127793 651850765 /nfs/dbraw/zinc/85/07/65/651850765.db2.gz SZKZCHGXYQJPQJ-OCCSQVGLSA-N 1 2 391.269 2.283 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)Cc1sccc1Br)C2 ZINC000571767462 651852370 /nfs/dbraw/zinc/85/23/70/651852370.db2.gz KFDHDUUUDYHZOE-LLVKDONJSA-N 1 2 398.326 2.224 20 0 GEADLO C[NH+](C)[C@@H](C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Cl)cc1 ZINC000571772766 651852985 /nfs/dbraw/zinc/85/29/85/651852985.db2.gz LQFJJDJIMCRBRT-CHWSQXEVSA-N 1 2 377.794 2.222 20 0 GEADLO [NH3+][C@@H](C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)c1cscn1 ZINC000571915502 651861292 /nfs/dbraw/zinc/86/12/92/651861292.db2.gz IIAKCZDYTABINF-QMTHXVAHSA-N 1 2 379.873 2.069 20 0 GEADLO CN(C)C(=O)C[NH+]1CCN(c2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651293770 651879813 /nfs/dbraw/zinc/87/98/13/651879813.db2.gz RUVZMZBQAVVNMG-UHFFFAOYSA-N 1 2 395.276 2.347 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(Br)c1 ZINC000615857634 651880980 /nfs/dbraw/zinc/88/09/80/651880980.db2.gz GROOFARPTILEMY-IYBDPMFKSA-N 1 2 397.313 2.370 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(Br)c1 ZINC000615857634 651880985 /nfs/dbraw/zinc/88/09/85/651880985.db2.gz GROOFARPTILEMY-IYBDPMFKSA-N 1 2 397.313 2.370 20 0 GEADLO CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000651472507 651882182 /nfs/dbraw/zinc/88/21/82/651882182.db2.gz WLESEUFETOTNDB-MGPQQGTHSA-N 1 2 390.299 2.061 20 0 GEADLO O=C1C(=O)N(CN2CCC[C@H](n3cc[nH+]c3)C2)c2ccc(Br)cc21 ZINC000738157071 651882677 /nfs/dbraw/zinc/88/26/77/651882677.db2.gz GHAHXHKWMULJBT-ZDUSSCGKSA-N 1 2 389.253 2.470 20 0 GEADLO C[C@@H]1CSCCN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000572971949 651926145 /nfs/dbraw/zinc/92/61/45/651926145.db2.gz VAKLCRUTPMNMSR-XJKSGUPXSA-N 1 2 383.945 2.270 20 0 GEADLO C[C@H]1CSCCN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000572971947 651926228 /nfs/dbraw/zinc/92/62/28/651926228.db2.gz VAKLCRUTPMNMSR-CJNGLKHVSA-N 1 2 383.945 2.270 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Cc2ccc(C)c(Br)c2)CC1 ZINC000652998309 651930816 /nfs/dbraw/zinc/93/08/16/651930816.db2.gz GMHKWZXEFPDIEZ-UHFFFAOYSA-N 1 2 399.329 2.107 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cc(C)cc(Br)c2)CC1 ZINC000652998310 651930928 /nfs/dbraw/zinc/93/09/28/651930928.db2.gz GMWLUEXUANPGRH-UHFFFAOYSA-N 1 2 385.302 2.178 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000741086699 651935563 /nfs/dbraw/zinc/93/55/63/651935563.db2.gz LENDHLAATNQIPA-FZMZJTMJSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000741086699 651935568 /nfs/dbraw/zinc/93/55/68/651935568.db2.gz LENDHLAATNQIPA-FZMZJTMJSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000654974540 651968649 /nfs/dbraw/zinc/96/86/49/651968649.db2.gz GZUJRCTXVOMTPE-ABAIWWIYSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000654974540 651968650 /nfs/dbraw/zinc/96/86/50/651968650.db2.gz GZUJRCTXVOMTPE-ABAIWWIYSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000573980692 651993363 /nfs/dbraw/zinc/99/33/63/651993363.db2.gz XDUIWWGIETYMAR-GFCCVEGCSA-N 1 2 380.495 2.224 20 0 GEADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000573980692 651993366 /nfs/dbraw/zinc/99/33/66/651993366.db2.gz XDUIWWGIETYMAR-GFCCVEGCSA-N 1 2 380.495 2.224 20 0 GEADLO CN(CC1C[NH+](C)C1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000618195767 651995715 /nfs/dbraw/zinc/99/57/15/651995715.db2.gz XMAUPPFZFUPZRN-UHFFFAOYSA-N 1 2 384.929 2.447 20 0 GEADLO O=C(N[C@H](CCO)c1ccccc1Br)[C@H]1CCn2cc[nH+]c2C1 ZINC000574715628 652038043 /nfs/dbraw/zinc/03/80/43/652038043.db2.gz GHHCLMJWEMWDGQ-SWLSCSKDSA-N 1 2 378.270 2.448 20 0 GEADLO NC(=O)c1csc(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)n1 ZINC000656713898 652047813 /nfs/dbraw/zinc/04/78/13/652047813.db2.gz GBTPZTOHHWTUPF-MRVPVSSYSA-N 1 2 376.265 2.078 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2OC)C[C@H]1C ZINC000656942207 652070519 /nfs/dbraw/zinc/07/05/19/652070519.db2.gz GEGOUVWFZNOEKD-SNVBAGLBSA-N 1 2 395.294 2.312 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2OC)C[C@H]1C ZINC000656942207 652070525 /nfs/dbraw/zinc/07/05/25/652070525.db2.gz GEGOUVWFZNOEKD-SNVBAGLBSA-N 1 2 395.294 2.312 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@H](C)C1 ZINC000656986666 652082340 /nfs/dbraw/zinc/08/23/40/652082340.db2.gz AQRIVHBFFZUXJO-LLVKDONJSA-N 1 2 379.295 2.444 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@H](C)C1 ZINC000656986666 652082342 /nfs/dbraw/zinc/08/23/42/652082342.db2.gz AQRIVHBFFZUXJO-LLVKDONJSA-N 1 2 379.295 2.444 20 0 GEADLO O=C(COC(=O)c1ccncc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000745769307 652086232 /nfs/dbraw/zinc/08/62/32/652086232.db2.gz LFJARAYELLOHIW-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000657027907 652090812 /nfs/dbraw/zinc/09/08/12/652090812.db2.gz AOQZUSWAJYWQHE-CYBMUJFWSA-N 1 2 388.917 2.222 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000657027907 652090820 /nfs/dbraw/zinc/09/08/20/652090820.db2.gz AOQZUSWAJYWQHE-CYBMUJFWSA-N 1 2 388.917 2.222 20 0 GEADLO COC(=O)c1sccc1NC(=O)CN1CCC([N@H+](C)CC(F)F)CC1 ZINC000746483230 652110773 /nfs/dbraw/zinc/11/07/73/652110773.db2.gz UAMAGMVJQHCPLJ-UHFFFAOYSA-N 1 2 375.441 2.135 20 0 GEADLO COC(=O)c1sccc1NC(=O)CN1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746483230 652110780 /nfs/dbraw/zinc/11/07/80/652110780.db2.gz UAMAGMVJQHCPLJ-UHFFFAOYSA-N 1 2 375.441 2.135 20 0 GEADLO Nc1nn2c(nc(C[N@@H+]3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)cc2=O)[nH]1 ZINC000621248275 652137060 /nfs/dbraw/zinc/13/70/60/652137060.db2.gz BOJUBCILQIUXAI-CYBMUJFWSA-N 1 2 379.251 2.474 20 0 GEADLO Nc1nn2c(nc(C[N@H+]3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)cc2=O)[nH]1 ZINC000621248275 652137070 /nfs/dbraw/zinc/13/70/70/652137070.db2.gz BOJUBCILQIUXAI-CYBMUJFWSA-N 1 2 379.251 2.474 20 0 GEADLO O=C(C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21)NCc1cccc(Cl)c1 ZINC000621357240 652151228 /nfs/dbraw/zinc/15/12/28/652151228.db2.gz IODLVDOJRLGLFW-KRWDZBQOSA-N 1 2 378.881 2.216 20 0 GEADLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1CO ZINC000621361287 652152378 /nfs/dbraw/zinc/15/23/78/652152378.db2.gz WWYZUGBZODGACF-OLZOCXBDSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1CO ZINC000621361287 652152380 /nfs/dbraw/zinc/15/23/80/652152380.db2.gz WWYZUGBZODGACF-OLZOCXBDSA-N 1 2 376.316 2.173 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)c(F)cc1Br ZINC000576942912 652157050 /nfs/dbraw/zinc/15/70/50/652157050.db2.gz QGNWYOPHCRZCLO-JTQLQIEISA-N 1 2 387.221 2.124 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)n1 ZINC000657447705 652165056 /nfs/dbraw/zinc/16/50/56/652165056.db2.gz GHYPHTGKQUJHGW-ZDUSSCGKSA-N 1 2 382.306 2.131 20 0 GEADLO Cc1c(Cl)c(C[NH2+]CCNC(=O)c2ccc(Br)cn2)nn1C ZINC000657563595 652173185 /nfs/dbraw/zinc/17/31/85/652173185.db2.gz LWUUIHUWWMKQLB-UHFFFAOYSA-N 1 2 386.681 2.059 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc3c(cc2Br)OCO3)[C@@H](C)CO1 ZINC000622143597 652185827 /nfs/dbraw/zinc/18/58/27/652185827.db2.gz BNHHJLFMRRSHQO-WDEREUQCSA-N 1 2 385.258 2.017 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc3c(cc2Br)OCO3)[C@@H](C)CO1 ZINC000622143597 652185831 /nfs/dbraw/zinc/18/58/31/652185831.db2.gz BNHHJLFMRRSHQO-WDEREUQCSA-N 1 2 385.258 2.017 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000748462780 652203517 /nfs/dbraw/zinc/20/35/17/652203517.db2.gz YCGBLCVMWQESHL-NHYWBVRUSA-N 1 2 389.279 2.435 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000748462780 652203533 /nfs/dbraw/zinc/20/35/33/652203533.db2.gz YCGBLCVMWQESHL-NHYWBVRUSA-N 1 2 389.279 2.435 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000577706469 652209155 /nfs/dbraw/zinc/20/91/55/652209155.db2.gz FOFQJDIJSUWKEA-CYBMUJFWSA-N 1 2 385.917 2.167 20 0 GEADLO O=C(c1cc2c(cc1Br)OCO2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000623015976 652214322 /nfs/dbraw/zinc/21/43/22/652214322.db2.gz FDBXAOSPNOXMSE-GFCCVEGCSA-N 1 2 397.269 2.115 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000623270214 652230149 /nfs/dbraw/zinc/23/01/49/652230149.db2.gz AGVKVQGXACOVKU-GWCFXTLKSA-N 1 2 379.247 2.284 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc(Br)cc2c1OCCO2 ZINC000623296073 652232684 /nfs/dbraw/zinc/23/26/84/652232684.db2.gz AMHCWNICFDUOBN-NSHDSACASA-N 1 2 378.226 2.162 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000749255626 652242830 /nfs/dbraw/zinc/24/28/30/652242830.db2.gz AUGZODWFUJZFAH-UHFFFAOYSA-N 1 2 377.447 2.199 20 0 GEADLO C[C@@H](C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[NH+]1CC(C)C1 ZINC000578141222 652247310 /nfs/dbraw/zinc/24/73/10/652247310.db2.gz DDFMZAFBZZGTTP-NSHDSACASA-N 1 2 378.274 2.191 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(Br)c(F)c1F ZINC000623726700 652257143 /nfs/dbraw/zinc/25/71/43/652257143.db2.gz YYIFLXFLUVUKSX-JTQLQIEISA-N 1 2 392.244 2.247 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(Br)c(F)c1F ZINC000623726700 652257147 /nfs/dbraw/zinc/25/71/47/652257147.db2.gz YYIFLXFLUVUKSX-JTQLQIEISA-N 1 2 392.244 2.247 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000658380220 652261304 /nfs/dbraw/zinc/26/13/04/652261304.db2.gz JDXWSKDKPPDEOW-LBPRGKRZSA-N 1 2 385.686 2.425 20 0 GEADLO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000624367560 652283974 /nfs/dbraw/zinc/28/39/74/652283974.db2.gz ZAJMHQVDQIMYGQ-CYBMUJFWSA-N 1 2 383.258 2.219 20 0 GEADLO O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000658892730 652324854 /nfs/dbraw/zinc/32/48/54/652324854.db2.gz QCLONKWKIORSFY-MRXNPFEDSA-N 1 2 392.297 2.029 20 0 GEADLO Cn1c2cc(Br)ccc2nc1CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000625474293 652348141 /nfs/dbraw/zinc/34/81/41/652348141.db2.gz KZGMQAMXUNYVNG-UHFFFAOYSA-N 1 2 389.301 2.377 20 0 GEADLO Brc1cc2c(cc1CN1CC[NH+](Cc3cn[nH]c3)CC1)OCO2 ZINC000625481363 652349083 /nfs/dbraw/zinc/34/90/83/652349083.db2.gz XLIABDOEDRNRKJ-UHFFFAOYSA-N 1 2 379.258 2.219 20 0 GEADLO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000659261957 652351547 /nfs/dbraw/zinc/35/15/47/652351547.db2.gz FDGPNEYSFORLBO-LBPRGKRZSA-N 1 2 395.257 2.061 20 0 GEADLO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000625583895 652359133 /nfs/dbraw/zinc/35/91/33/652359133.db2.gz YKHPSLAYOZAKNH-CQSZACIVSA-N 1 2 378.416 2.047 20 0 GEADLO COc1ccc(C[N@H+](CCO[C@H]2CC2(F)F)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000659818985 652366744 /nfs/dbraw/zinc/36/67/44/652366744.db2.gz AZMOHUQFUZJXAL-ZBFHGGJFSA-N 1 2 375.437 2.109 20 0 GEADLO COc1ccc(C[N@@H+](CCO[C@H]2CC2(F)F)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000659818985 652366746 /nfs/dbraw/zinc/36/67/46/652366746.db2.gz AZMOHUQFUZJXAL-ZBFHGGJFSA-N 1 2 375.437 2.109 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccccc1Br ZINC000580177767 652369075 /nfs/dbraw/zinc/36/90/75/652369075.db2.gz MYPFSAHERXATSO-ZBFHGGJFSA-N 1 2 396.329 2.496 20 0 GEADLO O=S(=O)(c1c(F)cccc1Cl)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000580215954 652371407 /nfs/dbraw/zinc/37/14/07/652371407.db2.gz IZRGQUUYOPTENZ-ZDUSSCGKSA-N 1 2 376.881 2.355 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000580326015 652376172 /nfs/dbraw/zinc/37/61/72/652376172.db2.gz GXLPDJBTPCYAQY-LBPRGKRZSA-N 1 2 385.686 2.425 20 0 GEADLO CN1CCN(c2cc(NCCc3cccc(Br)c3)[nH+]cn2)CC1=O ZINC000580415065 652379756 /nfs/dbraw/zinc/37/97/56/652379756.db2.gz SCDJMKQZSUNGIO-UHFFFAOYSA-N 1 2 390.285 2.172 20 0 GEADLO CN1CCN(c2cc(NCCc3cccc(Br)c3)nc[nH+]2)CC1=O ZINC000580415065 652379759 /nfs/dbraw/zinc/37/97/59/652379759.db2.gz SCDJMKQZSUNGIO-UHFFFAOYSA-N 1 2 390.285 2.172 20 0 GEADLO O=C(NCc1nc2c(cccc2Br)[nH]1)N1CCn2c[nH+]cc2C1 ZINC000580530654 652382129 /nfs/dbraw/zinc/38/21/29/652382129.db2.gz HWHRHVMHMQEFRB-UHFFFAOYSA-N 1 2 375.230 2.247 20 0 GEADLO Cc1csc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)c1 ZINC000660125417 652388669 /nfs/dbraw/zinc/38/86/69/652388669.db2.gz YMVQAIILTDPPDX-KRWDZBQOSA-N 1 2 379.551 2.151 20 0 GEADLO Cc1csc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)c1 ZINC000660125417 652388670 /nfs/dbraw/zinc/38/86/70/652388670.db2.gz YMVQAIILTDPPDX-KRWDZBQOSA-N 1 2 379.551 2.151 20 0 GEADLO Cn1[nH]c([C@H]2CCC[N@@H+]2C[C@@H](O)COc2c(Cl)cccc2Cl)nc1=N ZINC000580695790 652388950 /nfs/dbraw/zinc/38/89/50/652388950.db2.gz HVQPCXCGGQDOJV-ZWNOBZJWSA-N 1 2 386.283 2.111 20 0 GEADLO Cn1[nH]c([C@H]2CCC[N@H+]2C[C@@H](O)COc2c(Cl)cccc2Cl)nc1=N ZINC000580695790 652388954 /nfs/dbraw/zinc/38/89/54/652388954.db2.gz HVQPCXCGGQDOJV-ZWNOBZJWSA-N 1 2 386.283 2.111 20 0 GEADLO O=S(=O)(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1cncc(F)c1 ZINC000580750995 652391091 /nfs/dbraw/zinc/39/10/91/652391091.db2.gz OJUTYAMOEVFUOW-MRXNPFEDSA-N 1 2 381.498 2.117 20 0 GEADLO O=S(=O)(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1cncc(F)c1 ZINC000580750995 652391092 /nfs/dbraw/zinc/39/10/92/652391092.db2.gz OJUTYAMOEVFUOW-MRXNPFEDSA-N 1 2 381.498 2.117 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cn(C4CC4)nn3)[nH+]c12 ZINC000626445927 652392944 /nfs/dbraw/zinc/39/29/44/652392944.db2.gz UZLWWWCDJXPSFH-UHFFFAOYSA-N 1 2 389.257 2.304 20 0 GEADLO COC[C@@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000660197579 652395521 /nfs/dbraw/zinc/39/55/21/652395521.db2.gz QWTAWHZPZKLTLS-CYBMUJFWSA-N 1 2 378.372 2.423 20 0 GEADLO Cc1cc(Br)c(CNC(=O)N[C@H](C)C[NH+]2CCOCC2)s1 ZINC000660346215 652399117 /nfs/dbraw/zinc/39/91/17/652399117.db2.gz TWEJISMAKHDFNR-SNVBAGLBSA-N 1 2 376.320 2.339 20 0 GEADLO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCN(c2ncns2)CC1 ZINC000660712320 652411480 /nfs/dbraw/zinc/41/14/80/652411480.db2.gz ITRDMMHWHVNEJE-LBPRGKRZSA-N 1 2 389.308 2.407 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N(CCS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000753647620 652412409 /nfs/dbraw/zinc/41/24/09/652412409.db2.gz KLGNAIHNHPDIFH-INIZCTEOSA-N 1 2 387.933 2.161 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](CO)C3CCC3)[nH+]c12 ZINC000661016229 652417156 /nfs/dbraw/zinc/41/71/56/652417156.db2.gz KVMOTJMYALMQNA-HNNXBMFYSA-N 1 2 395.301 2.408 20 0 GEADLO NC(=O)[C@H]1CC[C@@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000581616033 652418742 /nfs/dbraw/zinc/41/87/42/652418742.db2.gz AMKPPNWZBAAFQX-KBPBESRZSA-N 1 2 384.307 2.192 20 0 GEADLO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753892981 652420336 /nfs/dbraw/zinc/42/03/36/652420336.db2.gz AOOGVXOSQMMIER-BETUJISGSA-N 1 2 387.263 2.130 20 0 GEADLO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000753892981 652420339 /nfs/dbraw/zinc/42/03/39/652420339.db2.gz AOOGVXOSQMMIER-BETUJISGSA-N 1 2 387.263 2.130 20 0 GEADLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661576933 652433390 /nfs/dbraw/zinc/43/33/90/652433390.db2.gz RZSSHCMBOCSPKK-YOEHRIQHSA-N 1 2 396.329 2.255 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccc(Br)cc1F ZINC000661603639 652434844 /nfs/dbraw/zinc/43/48/44/652434844.db2.gz XQXHFFZWOIVBNL-GWCFXTLKSA-N 1 2 384.249 2.127 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccc(Br)cc1F ZINC000661603639 652434846 /nfs/dbraw/zinc/43/48/46/652434846.db2.gz XQXHFFZWOIVBNL-GWCFXTLKSA-N 1 2 384.249 2.127 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccc(Br)cc1F ZINC000661603640 652434870 /nfs/dbraw/zinc/43/48/70/652434870.db2.gz XQXHFFZWOIVBNL-GXFFZTMASA-N 1 2 384.249 2.127 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccc(Br)cc1F ZINC000661603640 652434873 /nfs/dbraw/zinc/43/48/73/652434873.db2.gz XQXHFFZWOIVBNL-GXFFZTMASA-N 1 2 384.249 2.127 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000627636691 652436602 /nfs/dbraw/zinc/43/66/02/652436602.db2.gz AMOIFNVWAJRMNV-RMHMGBASSA-N 1 2 391.309 2.314 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000627636691 652436604 /nfs/dbraw/zinc/43/66/04/652436604.db2.gz AMOIFNVWAJRMNV-RMHMGBASSA-N 1 2 391.309 2.314 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1)C1CC1 ZINC000582268935 652443023 /nfs/dbraw/zinc/44/30/23/652443023.db2.gz JXJMKOUUBNHINY-NSHDSACASA-N 1 2 377.304 2.336 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ccc(Br)o2)C1)C1CC1 ZINC000582268935 652443028 /nfs/dbraw/zinc/44/30/28/652443028.db2.gz JXJMKOUUBNHINY-NSHDSACASA-N 1 2 377.304 2.336 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)CC1CC1 ZINC000754824076 652448547 /nfs/dbraw/zinc/44/85/47/652448547.db2.gz IVAQORYJTHTCEX-UHFFFAOYSA-N 1 2 389.308 2.489 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@H+](CCN1CCCc3ccccc31)C2 ZINC000662221893 652453331 /nfs/dbraw/zinc/45/33/31/652453331.db2.gz JPXQGDQGLGTYDV-UHFFFAOYSA-N 1 2 377.535 2.206 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@@H+](CCN1CCCc3ccccc31)C2 ZINC000662221893 652453334 /nfs/dbraw/zinc/45/33/34/652453334.db2.gz JPXQGDQGLGTYDV-UHFFFAOYSA-N 1 2 377.535 2.206 20 0 GEADLO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ncc(Br)cc1F ZINC000628154461 652453625 /nfs/dbraw/zinc/45/36/25/652453625.db2.gz XPNQAMBUJJSGHT-ZDUSSCGKSA-N 1 2 379.270 2.218 20 0 GEADLO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1ncc(Br)cc1F ZINC000628154461 652453626 /nfs/dbraw/zinc/45/36/26/652453626.db2.gz XPNQAMBUJJSGHT-ZDUSSCGKSA-N 1 2 379.270 2.218 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1cccc(Cl)c1Cl ZINC000628575088 652463574 /nfs/dbraw/zinc/46/35/74/652463574.db2.gz IMRQDZYYUCBMNQ-GOSISDBHSA-N 1 2 387.307 2.268 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1cccc(Cl)c1Cl ZINC000628575088 652463578 /nfs/dbraw/zinc/46/35/78/652463578.db2.gz IMRQDZYYUCBMNQ-GOSISDBHSA-N 1 2 387.307 2.268 20 0 GEADLO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755951652 652481796 /nfs/dbraw/zinc/48/17/96/652481796.db2.gz FCAVYBYOAXNYPO-MYYSRTQBSA-N 1 2 393.336 2.204 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000755950594 652481809 /nfs/dbraw/zinc/48/18/09/652481809.db2.gz VDJWXJPRUMOGPV-RUZDIDTESA-N 1 2 378.460 2.470 20 0 GEADLO CC(C)(C)[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000583404533 652483440 /nfs/dbraw/zinc/48/34/40/652483440.db2.gz ZERDZAFDEQRTIM-OAHLLOKOSA-N 1 2 378.897 2.192 20 0 GEADLO O[C@H](C[N@@H+]1CCc2c(F)ccc(Br)c2C1)CC1(O)CCOCC1 ZINC000630046713 652501197 /nfs/dbraw/zinc/50/11/97/652501197.db2.gz NIFUPEZBTRUEIQ-LBPRGKRZSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@H](C[N@H+]1CCc2c(F)ccc(Br)c2C1)CC1(O)CCOCC1 ZINC000630046713 652501200 /nfs/dbraw/zinc/50/12/00/652501200.db2.gz NIFUPEZBTRUEIQ-LBPRGKRZSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@@H](C[N@@H+]1CCc2c(Br)ccc(F)c2C1)CC1(O)CCOCC1 ZINC000630042110 652501378 /nfs/dbraw/zinc/50/13/78/652501378.db2.gz GRHNBALDRVXJED-GFCCVEGCSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@@H](C[N@H+]1CCc2c(Br)ccc(F)c2C1)CC1(O)CCOCC1 ZINC000630042110 652501383 /nfs/dbraw/zinc/50/13/83/652501383.db2.gz GRHNBALDRVXJED-GFCCVEGCSA-N 1 2 388.277 2.239 20 0 GEADLO Cc1nc(C)c(Br)c(Nc2ccn(CC[NH+]3CCOCC3)n2)n1 ZINC000663579074 652504742 /nfs/dbraw/zinc/50/47/42/652504742.db2.gz FBXKSIRHUMWSEG-UHFFFAOYSA-N 1 2 381.278 2.128 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc(Br)ccc2F)[C@@H](C)CO1 ZINC000663678609 652508435 /nfs/dbraw/zinc/50/84/35/652508435.db2.gz QPYCRKDAQSSYSJ-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(Br)ccc2F)[C@@H](C)CO1 ZINC000663678609 652508437 /nfs/dbraw/zinc/50/84/37/652508437.db2.gz QPYCRKDAQSSYSJ-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2cc(F)ccc2Br)[C@@H](C)CO1 ZINC000663755232 652511109 /nfs/dbraw/zinc/51/11/09/652511109.db2.gz LEHYGSZTBDBZJG-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2cc(F)ccc2Br)[C@@H](C)CO1 ZINC000663755232 652511111 /nfs/dbraw/zinc/51/11/11/652511111.db2.gz LEHYGSZTBDBZJG-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO Cc1cc(S(N)(=O)=O)ccc1CNc1nc(C)[nH+]c(C)c1Br ZINC000663845757 652512821 /nfs/dbraw/zinc/51/28/21/652512821.db2.gz CPGBKIHCWLNMKC-UHFFFAOYSA-N 1 2 385.287 2.424 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2nc(C(F)(F)F)cs2)[C@@H](C)CO1 ZINC000664266254 652524562 /nfs/dbraw/zinc/52/45/62/652524562.db2.gz FBIXNPPDGHKJOP-WDEREUQCSA-N 1 2 380.436 2.113 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2nc(C(F)(F)F)cs2)[C@@H](C)CO1 ZINC000664266254 652524565 /nfs/dbraw/zinc/52/45/65/652524565.db2.gz FBIXNPPDGHKJOP-WDEREUQCSA-N 1 2 380.436 2.113 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)[C@@H](C)CO1 ZINC000664444956 652527373 /nfs/dbraw/zinc/52/73/73/652527373.db2.gz LBRLBZWGMSBBFM-RYUDHWBXSA-N 1 2 391.299 2.176 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)[C@@H](C)CO1 ZINC000664444956 652527376 /nfs/dbraw/zinc/52/73/76/652527376.db2.gz LBRLBZWGMSBBFM-RYUDHWBXSA-N 1 2 391.299 2.176 20 0 GEADLO Cc1nc(CNc2nc(NCCO)c3ccccc3[nH+]2)sc1Br ZINC000584820173 652530548 /nfs/dbraw/zinc/53/05/48/652530548.db2.gz HLCLCUMSNJUYLI-UHFFFAOYSA-N 1 2 394.298 2.017 20 0 GEADLO Cn1ncc(C(F)(F)F)c1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000631719812 652532919 /nfs/dbraw/zinc/53/29/19/652532919.db2.gz ALWQBXVBSHEEIS-NSHDSACASA-N 1 2 382.433 2.082 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCOc3cc(Br)ccc3C2)nc[nH+]1 ZINC000664621840 652533034 /nfs/dbraw/zinc/53/30/34/652533034.db2.gz UKMBYWHEOWQRSW-LLVKDONJSA-N 1 2 379.258 2.431 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCOc3cc(Br)ccc3C2)[nH+]cn1 ZINC000664621840 652533037 /nfs/dbraw/zinc/53/30/37/652533037.db2.gz UKMBYWHEOWQRSW-LLVKDONJSA-N 1 2 379.258 2.431 20 0 GEADLO O=S(=O)(c1onc(C2CC2)c1Cl)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000631814707 652536310 /nfs/dbraw/zinc/53/63/10/652536310.db2.gz RDZPQVIJZLICRD-ZDUSSCGKSA-N 1 2 389.905 2.081 20 0 GEADLO O=S(=O)(c1onc(C2CC2)c1Cl)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000631814707 652536311 /nfs/dbraw/zinc/53/63/11/652536311.db2.gz RDZPQVIJZLICRD-ZDUSSCGKSA-N 1 2 389.905 2.081 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000758302387 652536433 /nfs/dbraw/zinc/53/64/33/652536433.db2.gz ONWHOPZLUXXIIH-CYBMUJFWSA-N 1 2 387.860 2.412 20 0 GEADLO C[C@H](NC(=O)NCCSCc1ccnc(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000758456602 652542728 /nfs/dbraw/zinc/54/27/28/652542728.db2.gz VBSXVJKXMJCETF-KBPBESRZSA-N 1 2 386.949 2.377 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000758580992 652547681 /nfs/dbraw/zinc/54/76/81/652547681.db2.gz XTRUQSIITZTUTA-MLGOLLRUSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000758580992 652547684 /nfs/dbraw/zinc/54/76/84/652547684.db2.gz XTRUQSIITZTUTA-MLGOLLRUSA-N 1 2 390.311 2.437 20 0 GEADLO O=S(=O)(C[C@@H]1CCCC(F)(F)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000632307707 652555922 /nfs/dbraw/zinc/55/59/22/652555922.db2.gz LEXLCBWRXFDPCX-CVEARBPZSA-N 1 2 380.501 2.186 20 0 GEADLO O=S(=O)(C[C@H]1CCCC(F)(F)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000632310558 652556366 /nfs/dbraw/zinc/55/63/66/652556366.db2.gz LEXLCBWRXFDPCX-JKSUJKDBSA-N 1 2 380.501 2.186 20 0 GEADLO O=C(N1CC[C@H]([NH+]2CCCC2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000589143296 652560790 /nfs/dbraw/zinc/56/07/90/652560790.db2.gz PJFLBXDZZLMWLK-HNNXBMFYSA-N 1 2 382.913 2.343 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cnc(Cl)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000759102144 652563012 /nfs/dbraw/zinc/56/30/12/652563012.db2.gz FBTSJKDILDVHQS-HNNXBMFYSA-N 1 2 382.917 2.359 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cnc(Cl)n2C)CC[N@H+]1Cc1ccccc1 ZINC000759102144 652563018 /nfs/dbraw/zinc/56/30/18/652563018.db2.gz FBTSJKDILDVHQS-HNNXBMFYSA-N 1 2 382.917 2.359 20 0 GEADLO CC(C)[N@@H+](C/C(Cl)=C/Cl)C[C@H](O)COc1ccc(CC(N)=O)cc1 ZINC000759279426 652567960 /nfs/dbraw/zinc/56/79/60/652567960.db2.gz SFAWSLYQGUHWHM-OWTLUSIOSA-N 1 2 375.296 2.484 20 0 GEADLO CC(C)[N@H+](C/C(Cl)=C/Cl)C[C@H](O)COc1ccc(CC(N)=O)cc1 ZINC000759279426 652567961 /nfs/dbraw/zinc/56/79/61/652567961.db2.gz SFAWSLYQGUHWHM-OWTLUSIOSA-N 1 2 375.296 2.484 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2cncc(Br)c2n1 ZINC000632792260 652579900 /nfs/dbraw/zinc/57/99/00/652579900.db2.gz KICWNCWYVGUNRK-LBPRGKRZSA-N 1 2 393.285 2.185 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000633092530 652585892 /nfs/dbraw/zinc/58/58/92/652585892.db2.gz PJLZDWHJBXCYCC-GLZXHMCRSA-N 1 2 394.313 2.107 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000633092530 652585896 /nfs/dbraw/zinc/58/58/96/652585896.db2.gz PJLZDWHJBXCYCC-GLZXHMCRSA-N 1 2 394.313 2.107 20 0 GEADLO CNc1cc2c(nn1)CC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000592110088 652586835 /nfs/dbraw/zinc/58/68/35/652586835.db2.gz CGBWCSBQMSCANZ-ZDUSSCGKSA-N 1 2 383.279 2.623 20 0 GEADLO CNc1cc2c(nn1)CC[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000592110088 652586841 /nfs/dbraw/zinc/58/68/41/652586841.db2.gz CGBWCSBQMSCANZ-ZDUSSCGKSA-N 1 2 383.279 2.623 20 0 GEADLO COCCC[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000759850396 652589075 /nfs/dbraw/zinc/58/90/75/652589075.db2.gz HFIISILBIPJXNF-XJKSGUPXSA-N 1 2 379.881 2.038 20 0 GEADLO COCCC[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000759850396 652589076 /nfs/dbraw/zinc/58/90/76/652589076.db2.gz HFIISILBIPJXNF-XJKSGUPXSA-N 1 2 379.881 2.038 20 0 GEADLO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000633250641 652589578 /nfs/dbraw/zinc/58/95/78/652589578.db2.gz LQTGIMJIWDNSCD-CQSZACIVSA-N 1 2 393.285 2.034 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000592197052 652590612 /nfs/dbraw/zinc/59/06/12/652590612.db2.gz LOIGIBRAUZKDPE-NWDGAFQWSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000592197052 652590614 /nfs/dbraw/zinc/59/06/14/652590614.db2.gz LOIGIBRAUZKDPE-NWDGAFQWSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000592200356 652590991 /nfs/dbraw/zinc/59/09/91/652590991.db2.gz VZDKVMYCTVZXLX-NQBHXWOUSA-N 1 2 389.279 2.026 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000592200356 652590994 /nfs/dbraw/zinc/59/09/94/652590994.db2.gz VZDKVMYCTVZXLX-NQBHXWOUSA-N 1 2 389.279 2.026 20 0 GEADLO Cc1csc([C@@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C(F)(F)F)n1 ZINC000667159762 652594555 /nfs/dbraw/zinc/59/45/55/652594555.db2.gz IIVDGGRMQDAERM-VXGBXAGGSA-N 1 2 378.420 2.171 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000592526553 652598724 /nfs/dbraw/zinc/59/87/24/652598724.db2.gz BKJKQEHLLXFUAU-MNOVXSKESA-N 1 2 394.212 2.406 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000592526553 652598729 /nfs/dbraw/zinc/59/87/29/652598729.db2.gz BKJKQEHLLXFUAU-MNOVXSKESA-N 1 2 394.212 2.406 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N[C@@H](CO)c1ccsc1 ZINC000633487809 652600542 /nfs/dbraw/zinc/60/05/42/652600542.db2.gz LHELIOAQIJGEHU-HNNXBMFYSA-N 1 2 378.523 2.229 20 0 GEADLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000667483944 652607449 /nfs/dbraw/zinc/60/74/49/652607449.db2.gz WPRZWVAWRSUQAI-JTQLQIEISA-N 1 2 376.404 2.279 20 0 GEADLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000667483944 652607453 /nfs/dbraw/zinc/60/74/53/652607453.db2.gz WPRZWVAWRSUQAI-JTQLQIEISA-N 1 2 376.404 2.279 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2cncc(Br)c2C)CC1 ZINC000667498032 652608120 /nfs/dbraw/zinc/60/81/20/652608120.db2.gz WKKRQCMUGKUDFP-UHFFFAOYSA-N 1 2 390.347 2.446 20 0 GEADLO CN(C1CCOCC1)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760429779 652609068 /nfs/dbraw/zinc/60/90/68/652609068.db2.gz GMIGWWDSAVMBNC-SJORKVTESA-N 1 2 387.933 2.030 20 0 GEADLO CN(C1CCOCC1)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760429779 652609069 /nfs/dbraw/zinc/60/90/69/652609069.db2.gz GMIGWWDSAVMBNC-SJORKVTESA-N 1 2 387.933 2.030 20 0 GEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000593019703 652611839 /nfs/dbraw/zinc/61/18/39/652611839.db2.gz JBTCCMUYUNYJPV-CYBMUJFWSA-N 1 2 388.917 2.399 20 0 GEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000593019703 652611844 /nfs/dbraw/zinc/61/18/44/652611844.db2.gz JBTCCMUYUNYJPV-CYBMUJFWSA-N 1 2 388.917 2.399 20 0 GEADLO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593293458 652615932 /nfs/dbraw/zinc/61/59/32/652615932.db2.gz AORBAAHZXFTLPZ-LMJOIVQTSA-N 1 2 381.929 2.392 20 0 GEADLO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593306025 652616218 /nfs/dbraw/zinc/61/62/18/652616218.db2.gz QVVXPVZNPYKAMY-RRNUEHDVSA-N 1 2 381.929 2.392 20 0 GEADLO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593306125 652616230 /nfs/dbraw/zinc/61/62/30/652616230.db2.gz QVVXPVZNPYKAMY-GRGOHXHGSA-N 1 2 381.929 2.392 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Cc2c(Cl)cccc2Br)CCO1 ZINC000667815091 652620556 /nfs/dbraw/zinc/62/05/56/652620556.db2.gz JUHGETGXJBRAEG-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Cc2c(Cl)cccc2Br)CCO1 ZINC000667815091 652620559 /nfs/dbraw/zinc/62/05/59/652620559.db2.gz JUHGETGXJBRAEG-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3csc(S(C)(=O)=O)c3)C2)cc1 ZINC000634456810 652639874 /nfs/dbraw/zinc/63/98/74/652639874.db2.gz LGVPMHXUUIPJHU-INIZCTEOSA-N 1 2 378.519 2.464 20 0 GEADLO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3csc(S(C)(=O)=O)c3)C2)cc1 ZINC000634456810 652639876 /nfs/dbraw/zinc/63/98/76/652639876.db2.gz LGVPMHXUUIPJHU-INIZCTEOSA-N 1 2 378.519 2.464 20 0 GEADLO COc1cc(C[NH+]2CCC(O)(CO)CC2)cc(Br)c1OC(F)F ZINC000668549720 652647145 /nfs/dbraw/zinc/64/71/45/652647145.db2.gz AVUIGYGWJQXUSJ-UHFFFAOYSA-N 1 2 396.228 2.378 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000668569695 652648532 /nfs/dbraw/zinc/64/85/32/652648532.db2.gz FXDUHYVTTULFBK-DOMZBBRYSA-N 1 2 391.269 2.124 20 0 GEADLO Cn1ncc(C(F)(F)F)c1S(=O)(=O)Nc1ccccc1CC[NH+](C)C ZINC000634657738 652648787 /nfs/dbraw/zinc/64/87/87/652648787.db2.gz YSNOEUHPLHHWDK-UHFFFAOYSA-N 1 2 376.404 2.344 20 0 GEADLO O=S(=O)(N[C@@H]1CCn2c[nH+]cc2C1)c1c(F)cccc1OC(F)(F)F ZINC000634661644 652652212 /nfs/dbraw/zinc/65/22/12/652652212.db2.gz YBOMLUVFRLZBHY-SECBINFHSA-N 1 2 379.335 2.214 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000668687554 652659933 /nfs/dbraw/zinc/65/99/33/652659933.db2.gz DIQKPYMSEQBYDE-CQSZACIVSA-N 1 2 380.290 2.285 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000668687554 652659941 /nfs/dbraw/zinc/65/99/41/652659941.db2.gz DIQKPYMSEQBYDE-CQSZACIVSA-N 1 2 380.290 2.285 20 0 GEADLO C[C@H]([C@H]1C[N@H+](C)CCO1)N1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000762170371 652678055 /nfs/dbraw/zinc/67/80/55/652678055.db2.gz LPGZSZBXEDKDPQ-VMDBXTETSA-N 1 2 386.279 2.480 20 0 GEADLO C[C@H]([C@H]1C[N@@H+](C)CCO1)N1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000762170371 652678061 /nfs/dbraw/zinc/67/80/61/652678061.db2.gz LPGZSZBXEDKDPQ-VMDBXTETSA-N 1 2 386.279 2.480 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@@H]4CC4(Cl)Cl)n3)cn2)CC1 ZINC000762235058 652681973 /nfs/dbraw/zinc/68/19/73/652681973.db2.gz NWEWJQWMCMFJRQ-NSHDSACASA-N 1 2 382.251 2.180 20 0 GEADLO CCCCN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000635405815 652724883 /nfs/dbraw/zinc/72/48/83/652724883.db2.gz HNHDMTKMHLXQLC-STQMWFEESA-N 1 2 381.420 2.192 20 0 GEADLO CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459332 652730553 /nfs/dbraw/zinc/73/05/53/652730553.db2.gz AUMZFIDMTZMPAI-SRVKXCTJSA-N 1 2 378.420 2.193 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(I)c1)N1CCn2c[nH+]cc2C1 ZINC000595494609 652731014 /nfs/dbraw/zinc/73/10/14/652731014.db2.gz LAIDSEMNFCJLFE-NSHDSACASA-N 1 2 396.232 2.331 20 0 GEADLO COC(=O)C1CCN(C(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000595830080 652737509 /nfs/dbraw/zinc/73/75/09/652737509.db2.gz TXYNNPRTCSQNTA-CQSZACIVSA-N 1 2 389.279 2.028 20 0 GEADLO Cn1cc(Br)cc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1=O ZINC000635659885 652746508 /nfs/dbraw/zinc/74/65/08/652746508.db2.gz IZXMEQMOHVFFND-SNVBAGLBSA-N 1 2 393.163 2.477 20 0 GEADLO O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)OCCCn1cc[nH+]c1 ZINC000763288604 652749923 /nfs/dbraw/zinc/74/99/23/652749923.db2.gz WWJQBKGQMNICAI-UHFFFAOYSA-N 1 2 392.264 2.102 20 0 GEADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)Nc1c[nH]cc(Br)c1=O ZINC000635742237 652752541 /nfs/dbraw/zinc/75/25/41/652752541.db2.gz GASSZAXEDPRMJU-SECBINFHSA-N 1 2 379.136 2.466 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000596993897 652767051 /nfs/dbraw/zinc/76/70/51/652767051.db2.gz XVOBTOIWNGWVEL-DOMZBBRYSA-N 1 2 392.253 2.239 20 0 GEADLO CS(=O)(=O)CC[C@H]1CCCCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635955402 652768219 /nfs/dbraw/zinc/76/82/19/652768219.db2.gz VYFQTLIFRXVHGT-OLZOCXBDSA-N 1 2 381.420 2.192 20 0 GEADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCO[C@@H]1c1cncc(Br)c1 ZINC000671438980 652797923 /nfs/dbraw/zinc/79/79/23/652797923.db2.gz MFUSNSMZBRSRKV-QWHCGFSZSA-N 1 2 375.230 2.463 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1Br ZINC000598185449 652803089 /nfs/dbraw/zinc/80/30/89/652803089.db2.gz PDCNHBAXQOZNBC-XHDPSFHLSA-N 1 2 392.253 2.239 20 0 GEADLO C[C@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)Oc1cccc(Br)c1 ZINC000636864345 652827332 /nfs/dbraw/zinc/82/73/32/652827332.db2.gz LWJBWPSRYJCULA-YPMHNXCESA-N 1 2 379.258 2.337 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cccc2nonc21)[N@@H+]1CCc2sccc2C1 ZINC000765168147 652827749 /nfs/dbraw/zinc/82/77/49/652827749.db2.gz XMMAYQFPHDTFIO-NSHDSACASA-N 1 2 378.479 2.009 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cccc2nonc21)[N@H+]1CCc2sccc2C1 ZINC000765168147 652827753 /nfs/dbraw/zinc/82/77/53/652827753.db2.gz XMMAYQFPHDTFIO-NSHDSACASA-N 1 2 378.479 2.009 20 0 GEADLO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672148520 652827794 /nfs/dbraw/zinc/82/77/94/652827794.db2.gz QBWILOCPIMTUSB-MNOVXSKESA-N 1 2 381.263 2.439 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)CC1CC1 ZINC000765280557 652835297 /nfs/dbraw/zinc/83/52/97/652835297.db2.gz MKENHCYPLJXQOV-UHFFFAOYSA-N 1 2 380.491 2.453 20 0 GEADLO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637131029 652841062 /nfs/dbraw/zinc/84/10/62/652841062.db2.gz SBROQWBULHBPMI-DZGCQCFKSA-N 1 2 376.258 2.416 20 0 GEADLO CC1(C)CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC[N@@H+]1CCO ZINC000672878730 652848321 /nfs/dbraw/zinc/84/83/21/652848321.db2.gz QJXFOZBEDUCYEV-UHFFFAOYSA-N 1 2 381.325 2.212 20 0 GEADLO CC1(C)CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC[N@H+]1CCO ZINC000672878730 652848322 /nfs/dbraw/zinc/84/83/22/652848322.db2.gz QJXFOZBEDUCYEV-UHFFFAOYSA-N 1 2 381.325 2.212 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1Cl ZINC000672878690 652848525 /nfs/dbraw/zinc/84/85/25/652848525.db2.gz NJGSLNIYKHYHTB-UHFFFAOYSA-N 1 2 378.947 2.139 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1Cl ZINC000672878690 652848529 /nfs/dbraw/zinc/84/85/29/652848529.db2.gz NJGSLNIYKHYHTB-UHFFFAOYSA-N 1 2 378.947 2.139 20 0 GEADLO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000672876913 652848537 /nfs/dbraw/zinc/84/85/37/652848537.db2.gz OQSHMXXUCXRIMH-OAHLLOKOSA-N 1 2 384.929 2.493 20 0 GEADLO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000672876913 652848539 /nfs/dbraw/zinc/84/85/39/652848539.db2.gz OQSHMXXUCXRIMH-OAHLLOKOSA-N 1 2 384.929 2.493 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@@H]1C ZINC000765741800 652851115 /nfs/dbraw/zinc/85/11/15/652851115.db2.gz OLHUFVPMEMLNLK-QWHCGFSZSA-N 1 2 387.933 2.145 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@@H]1C ZINC000765741800 652851117 /nfs/dbraw/zinc/85/11/17/652851117.db2.gz OLHUFVPMEMLNLK-QWHCGFSZSA-N 1 2 387.933 2.145 20 0 GEADLO O=C(c1cccc2[nH+]ccn21)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000765964697 652860710 /nfs/dbraw/zinc/86/07/10/652860710.db2.gz UTCQIAQITSWWNY-INIZCTEOSA-N 1 2 399.248 2.410 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccncc3Br)C2)nn1 ZINC000599359836 652864087 /nfs/dbraw/zinc/86/40/87/652864087.db2.gz GOYZZTDLKRQDCV-GFCCVEGCSA-N 1 2 380.246 2.059 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3ccncc3Br)C2)nn1 ZINC000599359836 652864089 /nfs/dbraw/zinc/86/40/89/652864089.db2.gz GOYZZTDLKRQDCV-GFCCVEGCSA-N 1 2 380.246 2.059 20 0 GEADLO COC[C@@]1(C)NC(=O)N(C[N@H+](C)Cc2ccc(Br)cc2C)C1=O ZINC000766090012 652866229 /nfs/dbraw/zinc/86/62/29/652866229.db2.gz UNDSVUOAJTWZTC-MRXNPFEDSA-N 1 2 384.274 2.104 20 0 GEADLO COC[C@@]1(C)NC(=O)N(C[N@@H+](C)Cc2ccc(Br)cc2C)C1=O ZINC000766090012 652866233 /nfs/dbraw/zinc/86/62/33/652866233.db2.gz UNDSVUOAJTWZTC-MRXNPFEDSA-N 1 2 384.274 2.104 20 0 GEADLO Cc1cc(I)ccc1NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000599430231 652870938 /nfs/dbraw/zinc/87/09/38/652870938.db2.gz QFOVCTZTNQXEMS-UHFFFAOYSA-N 1 2 396.232 2.320 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000599562452 652878136 /nfs/dbraw/zinc/87/81/36/652878136.db2.gz IBYAEOIVUVXVMV-WNSKOXEYSA-N 1 2 380.293 2.365 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000599562452 652878139 /nfs/dbraw/zinc/87/81/39/652878139.db2.gz IBYAEOIVUVXVMV-WNSKOXEYSA-N 1 2 380.293 2.365 20 0 GEADLO COC(=O)c1cccc(Br)c1C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599626535 652880723 /nfs/dbraw/zinc/88/07/23/652880723.db2.gz QTZHCNWVRFXTST-CALCHBBNSA-N 1 2 386.286 2.049 20 0 GEADLO COC(=O)c1cccc(Br)c1C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599626535 652880728 /nfs/dbraw/zinc/88/07/28/652880728.db2.gz QTZHCNWVRFXTST-CALCHBBNSA-N 1 2 386.286 2.049 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)o1 ZINC000638406547 652888737 /nfs/dbraw/zinc/88/87/37/652888737.db2.gz XFYNTKZHPJJXFH-LBPRGKRZSA-N 1 2 387.255 2.303 20 0 GEADLO COc1nsc(C[NH2+]CC(=O)NCCc2ccccc2)c1Br ZINC000638526900 652892363 /nfs/dbraw/zinc/89/23/63/652892363.db2.gz ANRNBZHRPKTAHM-UHFFFAOYSA-N 1 2 384.299 2.363 20 0 GEADLO C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1c(Cl)cccc1Cl ZINC000674369100 652896995 /nfs/dbraw/zinc/89/69/95/652896995.db2.gz XYZYPFBVNXXXTN-QWHCGFSZSA-N 1 2 375.296 2.248 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000600192291 652907539 /nfs/dbraw/zinc/90/75/39/652907539.db2.gz VECSOWTUEZDPOQ-CQSZACIVSA-N 1 2 393.196 2.194 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC000600192291 652907542 /nfs/dbraw/zinc/90/75/42/652907542.db2.gz VECSOWTUEZDPOQ-CQSZACIVSA-N 1 2 393.196 2.194 20 0 GEADLO Brc1cnc2c(CN3CC[NH+](Cc4ccncc4)CC3)cnn2c1 ZINC000638918704 652913263 /nfs/dbraw/zinc/91/32/63/652913263.db2.gz FCPSEIFUVGQKKC-UHFFFAOYSA-N 1 2 387.285 2.205 20 0 GEADLO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639253064 652928791 /nfs/dbraw/zinc/92/87/91/652928791.db2.gz JYWYLNPJZSUEGA-LBPRGKRZSA-N 1 2 377.304 2.097 20 0 GEADLO COC[C@@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639253064 652928796 /nfs/dbraw/zinc/92/87/96/652928796.db2.gz JYWYLNPJZSUEGA-LBPRGKRZSA-N 1 2 377.304 2.097 20 0 GEADLO CNS(=O)(=O)C1CC[NH+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000600686994 652932022 /nfs/dbraw/zinc/93/20/22/652932022.db2.gz DTZXVRCQYOWFJV-LLVKDONJSA-N 1 2 384.889 2.465 20 0 GEADLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cnn3cc(Br)cnc23)n1 ZINC000639344154 652933306 /nfs/dbraw/zinc/93/33/06/652933306.db2.gz UVFXKDQPLBASJL-UHFFFAOYSA-N 1 2 377.246 2.321 20 0 GEADLO O=c1cc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc[nH]1 ZINC000639474763 652937894 /nfs/dbraw/zinc/93/78/94/652937894.db2.gz XIQMGORAYGLXGR-UHFFFAOYSA-N 1 2 387.914 2.399 20 0 GEADLO O=c1cc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc[nH]1 ZINC000639474763 652937898 /nfs/dbraw/zinc/93/78/98/652937898.db2.gz XIQMGORAYGLXGR-UHFFFAOYSA-N 1 2 387.914 2.399 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000767655895 652940059 /nfs/dbraw/zinc/94/00/59/652940059.db2.gz QQPUTQYBTRTGKN-SNVBAGLBSA-N 1 2 385.902 2.351 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639586524 652942714 /nfs/dbraw/zinc/94/27/14/652942714.db2.gz NEXOEHUWNXVIJP-HIFRSBDPSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639586524 652942720 /nfs/dbraw/zinc/94/27/20/652942720.db2.gz NEXOEHUWNXVIJP-HIFRSBDPSA-N 1 2 382.309 2.242 20 0 GEADLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639771096 652953527 /nfs/dbraw/zinc/95/35/27/652953527.db2.gz ASLZIVJYAAZTDY-LLVKDONJSA-N 1 2 396.207 2.318 20 0 GEADLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639771096 652953530 /nfs/dbraw/zinc/95/35/30/652953530.db2.gz ASLZIVJYAAZTDY-LLVKDONJSA-N 1 2 396.207 2.318 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1 ZINC000640297551 653111245 /nfs/dbraw/zinc/11/12/45/653111245.db2.gz YQIIEZKZWSDJIH-VIFPVBQESA-N 1 2 376.770 2.854 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000676895174 653113578 /nfs/dbraw/zinc/11/35/78/653113578.db2.gz SVRNOXBVKOVAMC-UHFFFAOYSA-N 1 2 390.933 2.328 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(I)cc2)C1 ZINC000805469687 653118659 /nfs/dbraw/zinc/11/86/59/653118659.db2.gz OKCPQTBQACYFMA-ZDUSSCGKSA-N 1 2 375.206 2.055 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(I)cc2)C1 ZINC000805469687 653118662 /nfs/dbraw/zinc/11/86/62/653118662.db2.gz OKCPQTBQACYFMA-ZDUSSCGKSA-N 1 2 375.206 2.055 20 0 GEADLO CN(C)C(=O)C[NH+]1CCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000678125825 653127534 /nfs/dbraw/zinc/12/75/34/653127534.db2.gz SBRCYIFTTUSNJH-UHFFFAOYSA-N 1 2 384.307 2.475 20 0 GEADLO COC(=O)c1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000601852477 653129998 /nfs/dbraw/zinc/12/99/98/653129998.db2.gz ZYUVGIBGZMVAII-UHFFFAOYSA-N 1 2 377.491 2.413 20 0 GEADLO O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)OCCn1cc[nH+]c1 ZINC000771891133 653131336 /nfs/dbraw/zinc/13/13/36/653131336.db2.gz YPPITRPLKUSQHT-UHFFFAOYSA-N 1 2 392.264 2.102 20 0 GEADLO C[N@H+](CC(=O)OCC(=O)Nc1ccc(Br)cc1)[C@H]1CCSC1 ZINC000772046673 653138334 /nfs/dbraw/zinc/13/83/34/653138334.db2.gz LATLGYXXCBZMFG-ZDUSSCGKSA-N 1 2 387.299 2.368 20 0 GEADLO C[N@@H+](CC(=O)OCC(=O)Nc1ccc(Br)cc1)[C@H]1CCSC1 ZINC000772046673 653138337 /nfs/dbraw/zinc/13/83/37/653138337.db2.gz LATLGYXXCBZMFG-ZDUSSCGKSA-N 1 2 387.299 2.368 20 0 GEADLO C[C@H](Cc1ccsc1)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000679149787 653139180 /nfs/dbraw/zinc/13/91/80/653139180.db2.gz UAWQBDGRQAHUPM-CQSZACIVSA-N 1 2 380.539 2.268 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)Cc2cc[nH]c(=O)c2Br)c1C ZINC000772157485 653141243 /nfs/dbraw/zinc/14/12/43/653141243.db2.gz VIKXBRFTUPDAJG-UHFFFAOYSA-N 1 2 380.242 2.429 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(Br)cc1 ZINC000602087632 653146342 /nfs/dbraw/zinc/14/63/42/653146342.db2.gz YWKJKHLVIUESIA-YRGRVCCFSA-N 1 2 378.226 2.306 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC000602087632 653146350 /nfs/dbraw/zinc/14/63/50/653146350.db2.gz YWKJKHLVIUESIA-YRGRVCCFSA-N 1 2 378.226 2.306 20 0 GEADLO C[C@H](c1ccc(Cl)c(Cl)c1)n1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC000640989756 653149783 /nfs/dbraw/zinc/14/97/83/653149783.db2.gz GVBHOJWUKODBEV-ZYHUDNBSSA-N 1 2 389.308 2.471 20 0 GEADLO COCC[N@H+](C)Cc1cn(Cc2nc3ccc(Br)cc3o2)nn1 ZINC000641130826 653161361 /nfs/dbraw/zinc/16/13/61/653161361.db2.gz QHFINDBXMSTNQD-UHFFFAOYSA-N 1 2 380.246 2.308 20 0 GEADLO COCC[N@@H+](C)Cc1cn(Cc2nc3ccc(Br)cc3o2)nn1 ZINC000641130826 653161366 /nfs/dbraw/zinc/16/13/66/653161366.db2.gz QHFINDBXMSTNQD-UHFFFAOYSA-N 1 2 380.246 2.308 20 0 GEADLO CC(C)c1[nH+]c2c(n1C)CCN(c1cc(Br)cnc1C(N)=O)C2 ZINC000680332255 653164714 /nfs/dbraw/zinc/16/47/14/653164714.db2.gz UYAMJPHPGVBQIP-UHFFFAOYSA-N 1 2 378.274 2.363 20 0 GEADLO COCC[N@H+](C)Cc1cn(C[C@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000641196478 653168492 /nfs/dbraw/zinc/16/84/92/653168492.db2.gz RAUKCFQXCGTISF-AWEZNQCLSA-N 1 2 389.283 2.103 20 0 GEADLO COCC[N@@H+](C)Cc1cn(C[C@H](O)COc2ccc(Cl)cc2Cl)nn1 ZINC000641196478 653168493 /nfs/dbraw/zinc/16/84/93/653168493.db2.gz RAUKCFQXCGTISF-AWEZNQCLSA-N 1 2 389.283 2.103 20 0 GEADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1nnc2n1CCCCC2 ZINC000680833584 653170137 /nfs/dbraw/zinc/17/01/37/653170137.db2.gz RVOPCACZNFLVKA-LLVKDONJSA-N 1 2 393.289 2.451 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000680864123 653172112 /nfs/dbraw/zinc/17/21/12/653172112.db2.gz AOVZITYEFWOIAO-YPMHNXCESA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000680864123 653172114 /nfs/dbraw/zinc/17/21/14/653172114.db2.gz AOVZITYEFWOIAO-YPMHNXCESA-N 1 2 382.309 2.242 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000641293235 653180613 /nfs/dbraw/zinc/18/06/13/653180613.db2.gz XLOOAFDBTWCSFU-UHFFFAOYSA-N 1 2 383.901 2.204 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)c(Cl)c1 ZINC000807280141 653188412 /nfs/dbraw/zinc/18/84/12/653188412.db2.gz CWKDTQWHXBEKPH-GFCCVEGCSA-N 1 2 386.633 2.271 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCCc1ccccc1Br ZINC000807280983 653189013 /nfs/dbraw/zinc/18/90/13/653189013.db2.gz NKPBZBGXOBQYNJ-OAHLLOKOSA-N 1 2 394.269 2.326 20 0 GEADLO C[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)Oc1cccc(Br)c1 ZINC000641359139 653191807 /nfs/dbraw/zinc/19/18/07/653191807.db2.gz HMOSPYWUOGOZGE-LBPRGKRZSA-N 1 2 388.287 2.033 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C[C@H](C(F)(F)F)O1 ZINC000641365215 653193029 /nfs/dbraw/zinc/19/30/29/653193029.db2.gz WTLQSRINWDCXDR-XHDPSFHLSA-N 1 2 378.416 2.015 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C[C@H](C(F)(F)F)O1 ZINC000641365215 653193032 /nfs/dbraw/zinc/19/30/32/653193032.db2.gz WTLQSRINWDCXDR-XHDPSFHLSA-N 1 2 378.416 2.015 20 0 GEADLO CN(CC(F)(F)Br)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000807529857 653197774 /nfs/dbraw/zinc/19/77/74/653197774.db2.gz HMGQARYFVBHLTG-UHFFFAOYSA-N 1 2 387.184 2.257 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682009767 653203093 /nfs/dbraw/zinc/20/30/93/653203093.db2.gz DAGLCEWXNBROOZ-UHFFFAOYSA-N 1 2 391.331 2.356 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682009767 653203094 /nfs/dbraw/zinc/20/30/94/653203094.db2.gz DAGLCEWXNBROOZ-UHFFFAOYSA-N 1 2 391.331 2.356 20 0 GEADLO C[C@H]1CO[C@H](C(F)(F)F)CN1S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641489278 653212966 /nfs/dbraw/zinc/21/29/66/653212966.db2.gz MVFWONZPKYSJRI-NHYWBVRUSA-N 1 2 378.416 2.015 20 0 GEADLO C[C@H]1CO[C@H](C(F)(F)F)CN1S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641489278 653212969 /nfs/dbraw/zinc/21/29/69/653212969.db2.gz MVFWONZPKYSJRI-NHYWBVRUSA-N 1 2 378.416 2.015 20 0 GEADLO COC(=O)c1nn(C[N@H+](C)CCn2cc(Br)cn2)c(C)c1Cl ZINC000808243448 653223822 /nfs/dbraw/zinc/22/38/22/653223822.db2.gz KHJNPRGPLQXFSO-UHFFFAOYSA-N 1 2 390.669 2.180 20 0 GEADLO COC(=O)c1nn(C[N@@H+](C)CCn2cc(Br)cn2)c(C)c1Cl ZINC000808243448 653223824 /nfs/dbraw/zinc/22/38/24/653223824.db2.gz KHJNPRGPLQXFSO-UHFFFAOYSA-N 1 2 390.669 2.180 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ncc1Br ZINC000683653010 653236205 /nfs/dbraw/zinc/23/62/05/653236205.db2.gz FAXSOBPQEUVZAW-LBPRGKRZSA-N 1 2 392.257 2.151 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNc1ncc(Cn2cc(Br)cn2)s1 ZINC000683748149 653239349 /nfs/dbraw/zinc/23/93/49/653239349.db2.gz YZCQJDXLMRGTAG-LLVKDONJSA-N 1 2 386.319 2.283 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNc1ncc(Cn2cc(Br)cn2)s1 ZINC000683748149 653239350 /nfs/dbraw/zinc/23/93/50/653239350.db2.gz YZCQJDXLMRGTAG-LLVKDONJSA-N 1 2 386.319 2.283 20 0 GEADLO C[C@H]([NH2+]Cc1c(Br)cnn1C)c1cccc(NS(C)(=O)=O)c1 ZINC000683767482 653241011 /nfs/dbraw/zinc/24/10/11/653241011.db2.gz USLBJNYHJZVXAZ-JTQLQIEISA-N 1 2 387.303 2.405 20 0 GEADLO C[C@H]1CCOCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000774649297 653246524 /nfs/dbraw/zinc/24/65/24/653246524.db2.gz MOXAGIBCKHEILV-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1CCOCC[N@H+]1CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000774649297 653246528 /nfs/dbraw/zinc/24/65/28/653246528.db2.gz MOXAGIBCKHEILV-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1CCN(C(=O)c2c(Br)nc3n2CCOC3)C[C@H]1n1cc[nH+]c1 ZINC000857151499 653290569 /nfs/dbraw/zinc/29/05/69/653290569.db2.gz JOMDMLFRQQEZTN-VXGBXAGGSA-N 1 2 394.273 2.096 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)c(F)c1C ZINC000857183236 653295371 /nfs/dbraw/zinc/29/53/71/653295371.db2.gz DIJOHEYLZZZABO-GFCCVEGCSA-N 1 2 384.205 2.065 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)C[C@@H]1CCC(F)(F)C1)[NH+]1CCOCC1 ZINC000685294178 653301867 /nfs/dbraw/zinc/30/18/67/653301867.db2.gz XREMTAFXEYTDDS-GDBMZVCRSA-N 1 2 382.517 2.478 20 0 GEADLO O=S(=O)(C[C@H]1CCC(F)(F)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000685291185 653301891 /nfs/dbraw/zinc/30/18/91/653301891.db2.gz QPJZKWORZVYFAR-HNNXBMFYSA-N 1 2 380.501 2.376 20 0 GEADLO CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC(F)(F)c1ccc(Br)cc1 ZINC000857252167 653303685 /nfs/dbraw/zinc/30/36/85/653303685.db2.gz BOBOPBBTIDHPTM-STQMWFEESA-N 1 2 377.229 2.424 20 0 GEADLO CN1CCN(c2cc(N3Cc4ccc(Br)cc4C3)nc[nH+]2)CC1=O ZINC000775535676 653315967 /nfs/dbraw/zinc/31/59/67/653315967.db2.gz DGBUFYULNBHLJY-UHFFFAOYSA-N 1 2 388.269 2.038 20 0 GEADLO CN1CCN(c2cc(N3Cc4ccc(Br)cc4C3)[nH+]cn2)CC1=O ZINC000775535676 653315970 /nfs/dbraw/zinc/31/59/70/653315970.db2.gz DGBUFYULNBHLJY-UHFFFAOYSA-N 1 2 388.269 2.038 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCc2c[nH+]c(C)cc2C)c(Br)n1 ZINC000836039070 653326231 /nfs/dbraw/zinc/32/62/31/653326231.db2.gz ZCEWKSFJNNRYFZ-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000874708325 653333590 /nfs/dbraw/zinc/33/35/90/653333590.db2.gz MOEBOFWABYWRJV-LLVKDONJSA-N 1 2 382.814 2.091 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000874708325 653333598 /nfs/dbraw/zinc/33/35/98/653333598.db2.gz MOEBOFWABYWRJV-LLVKDONJSA-N 1 2 382.814 2.091 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cn(C(C)(C)C)nc1Br ZINC000874708122 653333681 /nfs/dbraw/zinc/33/36/81/653333681.db2.gz SCENTQCKCHKOLV-LBPRGKRZSA-N 1 2 387.322 2.241 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cn(C(C)(C)C)nc1Br ZINC000874708122 653333685 /nfs/dbraw/zinc/33/36/85/653333685.db2.gz SCENTQCKCHKOLV-LBPRGKRZSA-N 1 2 387.322 2.241 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000857984942 653346056 /nfs/dbraw/zinc/34/60/56/653346056.db2.gz FXHYKIUXWMGQKG-DZGCQCFKSA-N 1 2 376.869 2.313 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000857990180 653346595 /nfs/dbraw/zinc/34/65/95/653346595.db2.gz SSQJTKARCMUHDF-AAEUAGOBSA-N 1 2 389.253 2.260 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000857986299 653346714 /nfs/dbraw/zinc/34/67/14/653346714.db2.gz PCKKUXPDHYKQMH-KGLIPLIRSA-N 1 2 389.253 2.260 20 0 GEADLO Cn1nc(Cl)c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1Cl ZINC000858178274 653352839 /nfs/dbraw/zinc/35/28/39/653352839.db2.gz LSBZMWHRCPXXAR-ZDUSSCGKSA-N 1 2 383.279 2.358 20 0 GEADLO Cn1nc(Cl)c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Cl ZINC000858178274 653352844 /nfs/dbraw/zinc/35/28/44/653352844.db2.gz LSBZMWHRCPXXAR-ZDUSSCGKSA-N 1 2 383.279 2.358 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)c2cc3ncc(Br)cn3n2)c1C ZINC000875262034 653360946 /nfs/dbraw/zinc/36/09/46/653360946.db2.gz XSIHFFFEQYXBMG-UHFFFAOYSA-N 1 2 390.241 2.442 20 0 GEADLO O=Cc1cnc2c(Br)cc(C(=O)N3CC[NH+](CC4CC4)CC3)cn12 ZINC000858642669 653372812 /nfs/dbraw/zinc/37/28/12/653372812.db2.gz MVXSTHCCMWQSSM-UHFFFAOYSA-N 1 2 391.269 2.077 20 0 GEADLO Cc1cc(Br)nc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000836764259 653375927 /nfs/dbraw/zinc/37/59/27/653375927.db2.gz QAONUOBJEBPMHU-ZDUSSCGKSA-N 1 2 383.290 2.481 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)cc1Cl ZINC000859070892 653400142 /nfs/dbraw/zinc/40/01/42/653400142.db2.gz LZUQVDRDQBMWSB-UHFFFAOYSA-N 1 2 386.861 2.426 20 0 GEADLO CO[C@H]1CCC[N@H+](Cn2c3ccc(I)cc3oc2=O)C1 ZINC000777956271 653414303 /nfs/dbraw/zinc/41/43/03/653414303.db2.gz IRZZJIQEZICGSL-NSHDSACASA-N 1 2 388.205 2.267 20 0 GEADLO CO[C@H]1CCC[N@@H+](Cn2c3ccc(I)cc3oc2=O)C1 ZINC000777956271 653414306 /nfs/dbraw/zinc/41/43/06/653414306.db2.gz IRZZJIQEZICGSL-NSHDSACASA-N 1 2 388.205 2.267 20 0 GEADLO CC[N@H+](Cn1c2ccc(I)cc2oc1=O)[C@@H]1CCOC1 ZINC000812296131 653421059 /nfs/dbraw/zinc/42/10/59/653421059.db2.gz KYRHYSSPACQLAL-LLVKDONJSA-N 1 2 388.205 2.267 20 0 GEADLO CC[N@@H+](Cn1c2ccc(I)cc2oc1=O)[C@@H]1CCOC1 ZINC000812296131 653421065 /nfs/dbraw/zinc/42/10/65/653421065.db2.gz KYRHYSSPACQLAL-LLVKDONJSA-N 1 2 388.205 2.267 20 0 GEADLO CC(C)[C@@H](CNC(=O)c1c(Br)nc2n1CCCC2)[NH+]1CCOCC1 ZINC000837324494 653427186 /nfs/dbraw/zinc/42/71/86/653427186.db2.gz ZRBAEVIDFGVBMW-CYBMUJFWSA-N 1 2 399.333 2.069 20 0 GEADLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1Br ZINC000876738956 653445336 /nfs/dbraw/zinc/44/53/36/653445336.db2.gz MOHQSOFUQKNEEI-GHMZBOCLSA-N 1 2 392.315 2.489 20 0 GEADLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1Br ZINC000876738956 653445343 /nfs/dbraw/zinc/44/53/43/653445343.db2.gz MOHQSOFUQKNEEI-GHMZBOCLSA-N 1 2 392.315 2.489 20 0 GEADLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1Br ZINC000876738961 653445461 /nfs/dbraw/zinc/44/54/61/653445461.db2.gz MOHQSOFUQKNEEI-WDEREUQCSA-N 1 2 392.315 2.489 20 0 GEADLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1Br ZINC000876738961 653445465 /nfs/dbraw/zinc/44/54/65/653445465.db2.gz MOHQSOFUQKNEEI-WDEREUQCSA-N 1 2 392.315 2.489 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)CCc2cccc(Br)c2)CCO1 ZINC000813052380 653455769 /nfs/dbraw/zinc/45/57/69/653455769.db2.gz AENPDKIJIWSODI-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)CCc2cccc(Br)c2)CCO1 ZINC000813052380 653455773 /nfs/dbraw/zinc/45/57/73/653455773.db2.gz AENPDKIJIWSODI-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)c2nc(Br)ccc2Br)c1 ZINC000837718479 653464517 /nfs/dbraw/zinc/46/45/17/653464517.db2.gz YACFHPYYBBBXFY-UHFFFAOYSA-N 1 2 388.063 2.313 20 0 GEADLO O=C(/C=C\c1ccc(I)o1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779094626 653466043 /nfs/dbraw/zinc/46/60/43/653466043.db2.gz DLAOOXBDGDFPRZ-WUWIAWFRSA-N 1 2 383.189 2.225 20 0 GEADLO Cc1cc(Br)c2c(c1)CCN(C(=O)c1n[nH]c3c1C[NH2+]CC3)C2 ZINC000877128961 653467520 /nfs/dbraw/zinc/46/75/20/653467520.db2.gz KKLMIGVBMBEENK-UHFFFAOYSA-N 1 2 375.270 2.325 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cccnc3Br)C2)nn1 ZINC000877363224 653479006 /nfs/dbraw/zinc/47/90/06/653479006.db2.gz BPUIXOJIJQJOKI-LBPRGKRZSA-N 1 2 380.246 2.059 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cccnc3Br)C2)nn1 ZINC000877363224 653479011 /nfs/dbraw/zinc/47/90/11/653479011.db2.gz BPUIXOJIJQJOKI-LBPRGKRZSA-N 1 2 380.246 2.059 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)cc1Cl ZINC000779560987 653489235 /nfs/dbraw/zinc/48/92/35/653489235.db2.gz FGIIUAZHDLHHEG-GFCCVEGCSA-N 1 2 386.633 2.271 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000779567504 653498526 /nfs/dbraw/zinc/49/85/26/653498526.db2.gz UZQCWJOENLPLQB-ZYHUDNBSSA-N 1 2 386.235 2.315 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000779565443 653499506 /nfs/dbraw/zinc/49/95/06/653499506.db2.gz WJCYLLNXQZWERP-KKUMJFAQSA-N 1 2 392.253 2.107 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000779565444 653500283 /nfs/dbraw/zinc/50/02/83/653500283.db2.gz WJCYLLNXQZWERP-ZNMIVQPWSA-N 1 2 392.253 2.107 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc1Br ZINC000877413219 653505250 /nfs/dbraw/zinc/50/52/50/653505250.db2.gz IFXKOPQYVOQPCD-UHFFFAOYSA-N 1 2 378.226 2.290 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)cc1Br ZINC000877413219 653505292 /nfs/dbraw/zinc/50/52/92/653505292.db2.gz IFXKOPQYVOQPCD-UHFFFAOYSA-N 1 2 378.226 2.290 20 0 GEADLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000877520464 653610767 /nfs/dbraw/zinc/61/07/67/653610767.db2.gz YBEZKKYMTHJFMM-ZDUSSCGKSA-N 1 2 389.905 2.040 20 0 GEADLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000877520464 653610771 /nfs/dbraw/zinc/61/07/71/653610771.db2.gz YBEZKKYMTHJFMM-ZDUSSCGKSA-N 1 2 389.905 2.040 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](C[N@@H+]1CC[C@H](CS(C)(=O)=O)C1)CC(F)(F)F ZINC000877546601 653611480 /nfs/dbraw/zinc/61/14/80/653611480.db2.gz LBZUAXOVFQFKOZ-NWDGAFQWSA-N 1 2 388.452 2.199 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](C[N@H+]1CC[C@H](CS(C)(=O)=O)C1)CC(F)(F)F ZINC000877546601 653611513 /nfs/dbraw/zinc/61/15/13/653611513.db2.gz LBZUAXOVFQFKOZ-NWDGAFQWSA-N 1 2 388.452 2.199 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)cc1Br ZINC000877625033 653614674 /nfs/dbraw/zinc/61/46/74/653614674.db2.gz GUXXFEVOGAFREH-LBPRGKRZSA-N 1 2 383.242 2.262 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CC[C@H](N3CCOC3=O)C2)cc1Br ZINC000877625033 653614678 /nfs/dbraw/zinc/61/46/78/653614678.db2.gz GUXXFEVOGAFREH-LBPRGKRZSA-N 1 2 383.242 2.262 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCc4ccccc43)CC2)cs1 ZINC000780301729 653623706 /nfs/dbraw/zinc/62/37/06/653623706.db2.gz BTTFACPEMSHLDG-INIZCTEOSA-N 1 2 377.535 2.488 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NOCc1ccc(F)cc1Br ZINC000780404854 653625432 /nfs/dbraw/zinc/62/54/32/653625432.db2.gz IATKHAQGOSFUBK-NSHDSACASA-N 1 2 390.253 2.040 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NOCc1ccc(F)cc1Br ZINC000780404854 653625437 /nfs/dbraw/zinc/62/54/37/653625437.db2.gz IATKHAQGOSFUBK-NSHDSACASA-N 1 2 390.253 2.040 20 0 GEADLO C[N@H+](Cc1nnc2c(=O)[nH]ccn12)CC1(c2ccc(Br)cc2)CC1 ZINC000878127834 653629536 /nfs/dbraw/zinc/62/95/36/653629536.db2.gz RJZHXRVXZOKKCR-UHFFFAOYSA-N 1 2 388.269 2.344 20 0 GEADLO C[N@@H+](Cc1nnc2c(=O)[nH]ccn12)CC1(c2ccc(Br)cc2)CC1 ZINC000878127834 653629539 /nfs/dbraw/zinc/62/95/39/653629539.db2.gz RJZHXRVXZOKKCR-UHFFFAOYSA-N 1 2 388.269 2.344 20 0 GEADLO CCn1ncc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)n1 ZINC000838797776 653630447 /nfs/dbraw/zinc/63/04/47/653630447.db2.gz QIMCLTZLZCHAFC-UHFFFAOYSA-N 1 2 393.289 2.306 20 0 GEADLO COC(=O)c1cccc(Br)c1C[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000814637725 653637697 /nfs/dbraw/zinc/63/76/97/653637697.db2.gz CGJXYYPJWCPXLQ-UHFFFAOYSA-N 1 2 399.285 2.468 20 0 GEADLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878610069 653642445 /nfs/dbraw/zinc/64/24/45/653642445.db2.gz BQBDXOIXHAKNEE-MNOVXSKESA-N 1 2 376.251 2.023 20 0 GEADLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878610069 653642448 /nfs/dbraw/zinc/64/24/48/653642448.db2.gz BQBDXOIXHAKNEE-MNOVXSKESA-N 1 2 376.251 2.023 20 0 GEADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878616377 653642722 /nfs/dbraw/zinc/64/27/22/653642722.db2.gz MVRRZAJTYXWXBH-NEPJUHHUSA-N 1 2 390.278 2.461 20 0 GEADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878616377 653642726 /nfs/dbraw/zinc/64/27/26/653642726.db2.gz MVRRZAJTYXWXBH-NEPJUHHUSA-N 1 2 390.278 2.461 20 0 GEADLO COC(=O)c1cccc2c1CC[N@H+](C[C@H](O)c1cc(Br)no1)C2 ZINC000878696765 653644999 /nfs/dbraw/zinc/64/49/99/653644999.db2.gz UFDPATGOJNNPTQ-ZDUSSCGKSA-N 1 2 381.226 2.315 20 0 GEADLO COC(=O)c1cccc2c1CC[N@@H+](C[C@H](O)c1cc(Br)no1)C2 ZINC000878696765 653645003 /nfs/dbraw/zinc/64/50/03/653645003.db2.gz UFDPATGOJNNPTQ-ZDUSSCGKSA-N 1 2 381.226 2.315 20 0 GEADLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccnc(Br)c2)CC1 ZINC000815037633 653647146 /nfs/dbraw/zinc/64/71/46/653647146.db2.gz QVNPBNUYDNZRSH-CQSZACIVSA-N 1 2 395.345 2.409 20 0 GEADLO C[C@](O)(C[N@@H+]1CCN2C(=O)OC[C@@H]2C1)c1ccc(Br)cc1Cl ZINC000815061945 653649006 /nfs/dbraw/zinc/64/90/06/653649006.db2.gz BZXWOEVGEYPUBW-NHYWBVRUSA-N 1 2 389.677 2.446 20 0 GEADLO C[C@](O)(C[N@H+]1CCN2C(=O)OC[C@@H]2C1)c1ccc(Br)cc1Cl ZINC000815061945 653649008 /nfs/dbraw/zinc/64/90/08/653649008.db2.gz BZXWOEVGEYPUBW-NHYWBVRUSA-N 1 2 389.677 2.446 20 0 GEADLO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000782048786 653654367 /nfs/dbraw/zinc/65/43/67/653654367.db2.gz NMWBSGQRGZPKAH-OYLFLEFRSA-N 1 2 393.336 2.204 20 0 GEADLO NC(=O)[C@H](F)C1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000879049482 653656715 /nfs/dbraw/zinc/65/67/15/653656715.db2.gz FLLQYDKBUCQWRE-GFCCVEGCSA-N 1 2 387.209 2.128 20 0 GEADLO COC(=O)[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000782274986 653658448 /nfs/dbraw/zinc/65/84/48/653658448.db2.gz WZBHHPABGSHMFD-AAEUAGOBSA-N 1 2 387.263 2.426 20 0 GEADLO COC(=O)[C@H]1CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000782274986 653658449 /nfs/dbraw/zinc/65/84/49/653658449.db2.gz WZBHHPABGSHMFD-AAEUAGOBSA-N 1 2 387.263 2.426 20 0 GEADLO CNC(=O)Cc1nc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)cs1 ZINC000839638557 653658961 /nfs/dbraw/zinc/65/89/61/653658961.db2.gz DLZVQCUABCWGDU-AWEZNQCLSA-N 1 2 398.326 2.360 20 0 GEADLO CNC(=O)Cc1nc(C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)cs1 ZINC000839638557 653658963 /nfs/dbraw/zinc/65/89/63/653658963.db2.gz DLZVQCUABCWGDU-AWEZNQCLSA-N 1 2 398.326 2.360 20 0 GEADLO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3nc4ccc(Br)cc4o3)C2)C1 ZINC000879490192 653670202 /nfs/dbraw/zinc/67/02/02/653670202.db2.gz OOYVNNHWCLFNEM-INIZCTEOSA-N 1 2 394.225 2.484 20 0 GEADLO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3nc4ccc(Br)cc4o3)C2)C1 ZINC000879490192 653670204 /nfs/dbraw/zinc/67/02/04/653670204.db2.gz OOYVNNHWCLFNEM-INIZCTEOSA-N 1 2 394.225 2.484 20 0 GEADLO CCOC(=O)c1nn(C[N@@H+]2CCSC3(CCOCC3)C2)c(=S)s1 ZINC000782839626 653670927 /nfs/dbraw/zinc/67/09/27/653670927.db2.gz TVMMDCMJIHJXKB-UHFFFAOYSA-N 1 2 375.541 2.406 20 0 GEADLO CCOC(=O)c1nn(C[N@H+]2CCSC3(CCOCC3)C2)c(=S)s1 ZINC000782839626 653670931 /nfs/dbraw/zinc/67/09/31/653670931.db2.gz TVMMDCMJIHJXKB-UHFFFAOYSA-N 1 2 375.541 2.406 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)c(SC)c1 ZINC000879549865 653672296 /nfs/dbraw/zinc/67/22/96/653672296.db2.gz XSOOAFNSZHZJPY-LBPRGKRZSA-N 1 2 398.282 2.339 20 0 GEADLO O=C(OCCCn1cc[nH+]c1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000783007150 653673486 /nfs/dbraw/zinc/67/34/86/653673486.db2.gz CRQPGEXBHGLDCC-AWEZNQCLSA-N 1 2 383.495 2.121 20 0 GEADLO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000840116795 653675199 /nfs/dbraw/zinc/67/51/99/653675199.db2.gz DPQWNPXKRPGYEK-XJKSGUPXSA-N 1 2 389.240 2.424 20 0 GEADLO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000840116795 653675201 /nfs/dbraw/zinc/67/52/01/653675201.db2.gz DPQWNPXKRPGYEK-XJKSGUPXSA-N 1 2 389.240 2.424 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000879705171 653679597 /nfs/dbraw/zinc/67/95/97/653679597.db2.gz MHZBJDXJXSANIP-VXGBXAGGSA-N 1 2 380.436 2.465 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000879705171 653679598 /nfs/dbraw/zinc/67/95/98/653679598.db2.gz MHZBJDXJXSANIP-VXGBXAGGSA-N 1 2 380.436 2.465 20 0 GEADLO OCC1(CO)CC[NH+](Cc2nnc(-c3ccc(Br)s3)o2)CC1 ZINC000879967159 653690377 /nfs/dbraw/zinc/69/03/77/653690377.db2.gz LVRDULSRLFXFLR-UHFFFAOYSA-N 1 2 388.287 2.127 20 0 GEADLO C[C@H](NC(=S)NC[C@@H]1CN(C)CC[N@@H+]1C)c1ccc(Br)cc1 ZINC000840729437 653692081 /nfs/dbraw/zinc/69/20/81/653692081.db2.gz ORMXNBRDMFVCFO-SWLSCSKDSA-N 1 2 385.375 2.220 20 0 GEADLO C[C@H](NC(=S)NC[C@@H]1CN(C)CC[N@H+]1C)c1ccc(Br)cc1 ZINC000840729437 653692082 /nfs/dbraw/zinc/69/20/82/653692082.db2.gz ORMXNBRDMFVCFO-SWLSCSKDSA-N 1 2 385.375 2.220 20 0 GEADLO C[C@]12C[N@@H+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015383 653692133 /nfs/dbraw/zinc/69/21/33/653692133.db2.gz DKBCCPVCLVWRML-RYQLBKOJSA-N 1 2 382.913 2.202 20 0 GEADLO C[C@]12C[N@H+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015383 653692137 /nfs/dbraw/zinc/69/21/37/653692137.db2.gz DKBCCPVCLVWRML-RYQLBKOJSA-N 1 2 382.913 2.202 20 0 GEADLO CCS(=O)(=O)CC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC000880023709 653692774 /nfs/dbraw/zinc/69/27/74/653692774.db2.gz BMKYAEATLYBRDO-NEPJUHHUSA-N 1 2 388.452 2.056 20 0 GEADLO CCS(=O)(=O)CC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC000880023709 653692776 /nfs/dbraw/zinc/69/27/76/653692776.db2.gz BMKYAEATLYBRDO-NEPJUHHUSA-N 1 2 388.452 2.056 20 0 GEADLO O=C1NC2(CO1)CC[NH+](Cc1nnc(-c3ccc(Br)o3)o1)CC2 ZINC000784460574 653694812 /nfs/dbraw/zinc/69/48/12/653694812.db2.gz YNMOEICMXQIOHG-UHFFFAOYSA-N 1 2 383.202 2.167 20 0 GEADLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N(C)Cc2cccs2)C[C@H]1C(F)(F)F ZINC000880155338 653699441 /nfs/dbraw/zinc/69/94/41/653699441.db2.gz NVAOJYSGMJKARO-CHWSQXEVSA-N 1 2 378.416 2.380 20 0 GEADLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cccs2)C[C@H]1C(F)(F)F ZINC000880155338 653699444 /nfs/dbraw/zinc/69/94/44/653699444.db2.gz NVAOJYSGMJKARO-CHWSQXEVSA-N 1 2 378.416 2.380 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCNC(=O)CC12CCC2)c1ccc(Br)cc1 ZINC000880172806 653699884 /nfs/dbraw/zinc/69/98/84/653699884.db2.gz OPWPXBQWOHCMDO-CYBMUJFWSA-N 1 2 394.313 2.371 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCNC(=O)CC12CCC2)c1ccc(Br)cc1 ZINC000880172806 653699885 /nfs/dbraw/zinc/69/98/85/653699885.db2.gz OPWPXBQWOHCMDO-CYBMUJFWSA-N 1 2 394.313 2.371 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000784915452 653701267 /nfs/dbraw/zinc/70/12/67/653701267.db2.gz VBSHQCAFSNZZML-GFCCVEGCSA-N 1 2 382.254 2.489 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000784917881 653701400 /nfs/dbraw/zinc/70/14/00/653701400.db2.gz HXLDBAGNBOEBEK-XHDPSFHLSA-N 1 2 384.885 2.407 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@](C)(O)c1ccc(Br)cc1F ZINC000840933502 653701926 /nfs/dbraw/zinc/70/19/26/653701926.db2.gz GDHORDGOBWXHIZ-AWEZNQCLSA-N 1 2 391.262 2.144 20 0 GEADLO COc1ccc2c(c1)CN(C[N@H+](C)CCn1cc(Br)cn1)C2=O ZINC000863267424 653704891 /nfs/dbraw/zinc/70/48/91/653704891.db2.gz ROMMZZVYAPMZOP-UHFFFAOYSA-N 1 2 379.258 2.200 20 0 GEADLO COc1ccc2c(c1)CN(C[N@@H+](C)CCn1cc(Br)cn1)C2=O ZINC000863267424 653704894 /nfs/dbraw/zinc/70/48/94/653704894.db2.gz ROMMZZVYAPMZOP-UHFFFAOYSA-N 1 2 379.258 2.200 20 0 GEADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCc2ccsc2[C@@H]1C ZINC000880377311 653705033 /nfs/dbraw/zinc/70/50/33/653705033.db2.gz SHLWEZQBCVAGPI-LBPRGKRZSA-N 1 2 379.507 2.262 20 0 GEADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCc2ccsc2[C@@H]1C ZINC000880377311 653705035 /nfs/dbraw/zinc/70/50/35/653705035.db2.gz SHLWEZQBCVAGPI-LBPRGKRZSA-N 1 2 379.507 2.262 20 0 GEADLO Cn1nc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)cc1Br ZINC000817191113 653705910 /nfs/dbraw/zinc/70/59/10/653705910.db2.gz UFUASRVNBSGQLE-UHFFFAOYSA-N 1 2 394.269 2.372 20 0 GEADLO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1Cn1nc2cnccn2c1=O ZINC000863323610 653706669 /nfs/dbraw/zinc/70/66/69/653706669.db2.gz QDXYPTFSQPHTBI-GXTWGEPZSA-N 1 2 388.269 2.489 20 0 GEADLO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cn1nc2cnccn2c1=O ZINC000863323610 653706672 /nfs/dbraw/zinc/70/66/72/653706672.db2.gz QDXYPTFSQPHTBI-GXTWGEPZSA-N 1 2 388.269 2.489 20 0 GEADLO CC1(C)[C@H](NC(=O)C(=O)c2ccc(Br)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000880498067 653707036 /nfs/dbraw/zinc/70/70/36/653707036.db2.gz GCAADEQFHBKLMA-CABCVRRESA-N 1 2 395.297 2.247 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880532742 653707622 /nfs/dbraw/zinc/70/76/22/653707622.db2.gz CWNRCXSVYCBFHH-DYVFJYSZSA-N 1 2 394.313 2.008 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880532742 653707624 /nfs/dbraw/zinc/70/76/24/653707624.db2.gz CWNRCXSVYCBFHH-DYVFJYSZSA-N 1 2 394.313 2.008 20 0 GEADLO COC(=O)[C@]1(O)CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000880562920 653708149 /nfs/dbraw/zinc/70/81/49/653708149.db2.gz VCIXGINDBBOHBP-INIZCTEOSA-N 1 2 381.226 2.214 20 0 GEADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000880562920 653708150 /nfs/dbraw/zinc/70/81/50/653708150.db2.gz VCIXGINDBBOHBP-INIZCTEOSA-N 1 2 381.226 2.214 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1c2c(ccc1Br)OCC2 ZINC000880801138 653714026 /nfs/dbraw/zinc/71/40/26/653714026.db2.gz FTTUKMAJXPZVBM-NSHDSACASA-N 1 2 384.274 2.226 20 0 GEADLO CC(=O)c1ccc(Br)c(NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)c1 ZINC000880807762 653715365 /nfs/dbraw/zinc/71/53/65/653715365.db2.gz FHWABDYSKMIOOO-LLVKDONJSA-N 1 2 384.274 2.182 20 0 GEADLO CC(=O)c1ccc(Br)c(NC(=O)N2CC[N@H+](CCO)C[C@H]2C)c1 ZINC000880807762 653715369 /nfs/dbraw/zinc/71/53/69/653715369.db2.gz FHWABDYSKMIOOO-LLVKDONJSA-N 1 2 384.274 2.182 20 0 GEADLO COC1CC[NH+](Cc2cn(C[C@H](O)c3cccc(Br)c3)nn2)CC1 ZINC000881407233 653729918 /nfs/dbraw/zinc/72/99/18/653729918.db2.gz NRINVVSJSRXXCR-KRWDZBQOSA-N 1 2 395.301 2.385 20 0 GEADLO COC1CC[NH+](Cc2cn(C[C@@H](O)c3cccc(Br)c3)nn2)CC1 ZINC000881407234 653729939 /nfs/dbraw/zinc/72/99/39/653729939.db2.gz NRINVVSJSRXXCR-QGZVFWFLSA-N 1 2 395.301 2.385 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC000841573385 653736854 /nfs/dbraw/zinc/73/68/54/653736854.db2.gz MJKJHUXFHJVWLV-GHMZBOCLSA-N 1 2 389.930 2.025 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc2sc(Cl)nc2c1 ZINC000841573385 653736857 /nfs/dbraw/zinc/73/68/57/653736857.db2.gz MJKJHUXFHJVWLV-GHMZBOCLSA-N 1 2 389.930 2.025 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)c3cccc[n+]3[O-])cc2Br)CC1 ZINC000787535639 653739677 /nfs/dbraw/zinc/73/96/77/653739677.db2.gz HCMSOTPWSXDWPG-UHFFFAOYSA-N 1 2 391.269 2.087 20 0 GEADLO CN1CCN(c2ccc(NC(=O)CCn3cc[nH+]c3)cc2Br)CC1 ZINC000787534647 653739715 /nfs/dbraw/zinc/73/97/15/653739715.db2.gz ANJOTLYJSPFFAY-UHFFFAOYSA-N 1 2 392.301 2.426 20 0 GEADLO CN1CCN(c2ccc(NC(=O)Cn3cc[nH+]c3)cc2Br)CC1 ZINC000787666964 653741724 /nfs/dbraw/zinc/74/17/24/653741724.db2.gz AHURHWZZQUFDFV-UHFFFAOYSA-N 1 2 378.274 2.036 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1cc(Br)cnc1Br ZINC000842045955 653744178 /nfs/dbraw/zinc/74/41/78/653744178.db2.gz NBYWIOWWKXIZPB-NXEZZACHSA-N 1 2 393.123 2.498 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1cc(Br)cnc1Br ZINC000842045955 653744180 /nfs/dbraw/zinc/74/41/80/653744180.db2.gz NBYWIOWWKXIZPB-NXEZZACHSA-N 1 2 393.123 2.498 20 0 GEADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000864807982 653745621 /nfs/dbraw/zinc/74/56/21/653745621.db2.gz AHNJUQAHKQTNAW-OAHLLOKOSA-N 1 2 375.226 2.272 20 0 GEADLO COC(=O)CCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787986229 653747270 /nfs/dbraw/zinc/74/72/70/653747270.db2.gz ACECXMCWWZDVNG-UHFFFAOYSA-N 1 2 398.301 2.483 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)/C=C\c2ccsc2C(F)(F)F)CC1 ZINC000864874008 653747523 /nfs/dbraw/zinc/74/75/23/653747523.db2.gz PXKUVUQXLAHXCN-IHWYPQMZSA-N 1 2 375.416 2.060 20 0 GEADLO Cc1cc(N2CCN(C(=O)c3cc(Br)n[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC000788268023 653753637 /nfs/dbraw/zinc/75/36/37/653753637.db2.gz URGCUKTWWHAVCZ-UHFFFAOYSA-N 1 2 393.289 2.356 20 0 GEADLO CC(=O)Nc1ccc(Br)cc1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865104612 653753883 /nfs/dbraw/zinc/75/38/83/653753883.db2.gz QFSCUROQPUSNNZ-IHWYPQMZSA-N 1 2 382.258 2.234 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)NC[C@H](O)C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000788817530 653765059 /nfs/dbraw/zinc/76/50/59/653765059.db2.gz DVZYORQVIWBRIT-FRRDWIJNSA-N 1 2 383.773 2.447 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)NC[C@H](O)C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000788817530 653765061 /nfs/dbraw/zinc/76/50/61/653765061.db2.gz DVZYORQVIWBRIT-FRRDWIJNSA-N 1 2 383.773 2.447 20 0 GEADLO COc1ccccc1CCNC(=O)C[NH2+]Cc1cccnc1Br ZINC000865552967 653768147 /nfs/dbraw/zinc/76/81/47/653768147.db2.gz JPFAVRYBOFHPIF-UHFFFAOYSA-N 1 2 378.270 2.301 20 0 GEADLO O=S(=O)(/C=C\c1ccccc1Br)N1CC[NH2+]C[C@@H]1C(F)F ZINC000842865376 653770978 /nfs/dbraw/zinc/77/09/78/653770978.db2.gz VGARIFHYRYUJMO-VVEJJEBESA-N 1 2 381.242 2.289 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1csc(Br)c1 ZINC000842964682 653774978 /nfs/dbraw/zinc/77/49/78/653774978.db2.gz MSSTWNUKOXHGIK-ZYHUDNBSSA-N 1 2 378.288 2.403 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1csc(Br)c1 ZINC000842964682 653774980 /nfs/dbraw/zinc/77/49/80/653774980.db2.gz MSSTWNUKOXHGIK-ZYHUDNBSSA-N 1 2 378.288 2.403 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1csc(Br)c1 ZINC000842964679 653775072 /nfs/dbraw/zinc/77/50/72/653775072.db2.gz MSSTWNUKOXHGIK-PWSUYJOCSA-N 1 2 378.288 2.403 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1csc(Br)c1 ZINC000842964679 653775076 /nfs/dbraw/zinc/77/50/76/653775076.db2.gz MSSTWNUKOXHGIK-PWSUYJOCSA-N 1 2 378.288 2.403 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cc(F)cc(Br)c1 ZINC000842966869 653775311 /nfs/dbraw/zinc/77/53/11/653775311.db2.gz SBQFBJLJOJXKLC-ABAIWWIYSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cc(F)cc(Br)c1 ZINC000842966869 653775314 /nfs/dbraw/zinc/77/53/14/653775314.db2.gz SBQFBJLJOJXKLC-ABAIWWIYSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(F)cc(Br)c1 ZINC000842966874 653775363 /nfs/dbraw/zinc/77/53/63/653775363.db2.gz SBQFBJLJOJXKLC-NHYWBVRUSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(F)cc(Br)c1 ZINC000842966874 653775365 /nfs/dbraw/zinc/77/53/65/653775365.db2.gz SBQFBJLJOJXKLC-NHYWBVRUSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(OC)cc(Cl)c1F ZINC000842967692 653775503 /nfs/dbraw/zinc/77/55/03/653775503.db2.gz NWLNUBSJFUBXSF-WCQYABFASA-N 1 2 375.824 2.380 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(OC)cc(Cl)c1F ZINC000842967692 653775505 /nfs/dbraw/zinc/77/55/05/653775505.db2.gz NWLNUBSJFUBXSF-WCQYABFASA-N 1 2 375.824 2.380 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(Br)oc1C ZINC000842969845 653775769 /nfs/dbraw/zinc/77/57/69/653775769.db2.gz XXZSCRHDWAIVJZ-CMPLNLGQSA-N 1 2 376.247 2.243 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(Br)oc1C ZINC000842969845 653775771 /nfs/dbraw/zinc/77/57/71/653775771.db2.gz XXZSCRHDWAIVJZ-CMPLNLGQSA-N 1 2 376.247 2.243 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(F)c(Br)c1 ZINC000842971285 653776090 /nfs/dbraw/zinc/77/60/90/653776090.db2.gz QFGURFXSZXVIAM-DGCLKSJQSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(F)c(Br)c1 ZINC000842971285 653776094 /nfs/dbraw/zinc/77/60/94/653776094.db2.gz QFGURFXSZXVIAM-DGCLKSJQSA-N 1 2 390.249 2.481 20 0 GEADLO CC[NH2+]Cc1noc(CCNS(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000843141221 653780551 /nfs/dbraw/zinc/78/05/51/653780551.db2.gz LNQAXYHFKMLWER-UHFFFAOYSA-N 1 2 379.269 2.007 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)no1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000865942004 653780860 /nfs/dbraw/zinc/78/08/60/653780860.db2.gz MJXFCQXBURZJTA-SWLSCSKDSA-N 1 2 394.269 2.456 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)no1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000865942004 653780861 /nfs/dbraw/zinc/78/08/61/653780861.db2.gz MJXFCQXBURZJTA-SWLSCSKDSA-N 1 2 394.269 2.456 20 0 GEADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1nc(Cl)cs1 ZINC000789909883 653782669 /nfs/dbraw/zinc/78/26/69/653782669.db2.gz OEWHWCLYZDUYCW-UHFFFAOYSA-N 1 2 381.885 2.438 20 0 GEADLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc2onc(Cl)c2c1 ZINC000820794911 653783780 /nfs/dbraw/zinc/78/37/80/653783780.db2.gz NJPVQXIKVKEUTF-LLVKDONJSA-N 1 2 378.841 2.433 20 0 GEADLO Cn1nc(Br)cc1C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000843428836 653786772 /nfs/dbraw/zinc/78/67/72/653786772.db2.gz NRXAGSMYPGXDNN-AWEZNQCLSA-N 1 2 377.286 2.321 20 0 GEADLO Cn1nc(Br)cc1C[N@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000843428836 653786774 /nfs/dbraw/zinc/78/67/74/653786774.db2.gz NRXAGSMYPGXDNN-AWEZNQCLSA-N 1 2 377.286 2.321 20 0 GEADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000866204448 653788869 /nfs/dbraw/zinc/78/88/69/653788869.db2.gz DBWMTDYJSZXEMT-UONOGXRCSA-N 1 2 397.216 2.411 20 0 GEADLO O=C(c1nc(Br)c2ccccn21)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000821021466 653789087 /nfs/dbraw/zinc/78/90/87/653789087.db2.gz PSQKFHHFXVKMMD-ZDUSSCGKSA-N 1 2 393.285 2.034 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(N)nc(Br)c1 ZINC000821087184 653790165 /nfs/dbraw/zinc/79/01/65/653790165.db2.gz LTWVWOZIRAUVOV-UHFFFAOYSA-N 1 2 392.257 2.219 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCCc1cc(Cl)cc(Br)c1 ZINC000882595746 653790263 /nfs/dbraw/zinc/79/02/63/653790263.db2.gz KBJKZJBTDZNCHU-UHFFFAOYSA-N 1 2 392.706 2.461 20 0 GEADLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000882734662 653801144 /nfs/dbraw/zinc/80/11/44/653801144.db2.gz HLDIIFQVUPCKFW-UHFFFAOYSA-N 1 2 393.912 2.386 20 0 GEADLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1nc[nH]c1Br)c1ccco1 ZINC000866644284 653808092 /nfs/dbraw/zinc/80/80/92/653808092.db2.gz SPEAMKRXAAUXGL-SNVBAGLBSA-N 1 2 391.291 2.127 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(Sc3ccncc3)cc2)C1 ZINC000866682474 653811016 /nfs/dbraw/zinc/81/10/16/653811016.db2.gz NZPNIUABUDUSQD-HNNXBMFYSA-N 1 2 380.491 2.272 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(Sc3ccncc3)cc2)C1 ZINC000866682474 653811019 /nfs/dbraw/zinc/81/10/19/653811019.db2.gz NZPNIUABUDUSQD-HNNXBMFYSA-N 1 2 380.491 2.272 20 0 GEADLO COCC[NH+](CCOC)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844681873 653813317 /nfs/dbraw/zinc/81/33/17/653813317.db2.gz AJKUIFIJYGFWLE-UHFFFAOYSA-N 1 2 383.286 2.227 20 0 GEADLO Cn1ncc(I)c1C[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000895075321 653816067 /nfs/dbraw/zinc/81/60/67/653816067.db2.gz BSQGZLJAJIXMFQ-MRXNPFEDSA-N 1 2 397.260 2.291 20 0 GEADLO Cn1ncc(I)c1C[N@@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000895075321 653816068 /nfs/dbraw/zinc/81/60/68/653816068.db2.gz BSQGZLJAJIXMFQ-MRXNPFEDSA-N 1 2 397.260 2.291 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCc1sccc1Br ZINC000883117880 653828953 /nfs/dbraw/zinc/82/89/53/653828953.db2.gz KELDZUXHHWVBNF-LLVKDONJSA-N 1 2 376.320 2.073 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000895345690 653829444 /nfs/dbraw/zinc/82/94/44/653829444.db2.gz ZUCFIIPXMYIDNU-CQSZACIVSA-N 1 2 382.258 2.434 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000895345690 653829445 /nfs/dbraw/zinc/82/94/45/653829445.db2.gz ZUCFIIPXMYIDNU-CQSZACIVSA-N 1 2 382.258 2.434 20 0 GEADLO C[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCNC3=O)c2cccc(Br)c21 ZINC000883303202 653834900 /nfs/dbraw/zinc/83/49/00/653834900.db2.gz RJAGBRGBVLLOQN-CABZTGNLSA-N 1 2 376.258 2.122 20 0 GEADLO Cn1ccn2c(C[NH2+]Cc3cc(Br)c(Cl)s3)nnc2c1=O ZINC000883332377 653835558 /nfs/dbraw/zinc/83/55/58/653835558.db2.gz UIVNDSKIDDZDCV-UHFFFAOYSA-N 1 2 388.678 2.195 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1cscc1Br ZINC000883347494 653836467 /nfs/dbraw/zinc/83/64/67/653836467.db2.gz SWZIJIRDIOVJKU-LBPRGKRZSA-N 1 2 389.363 2.288 20 0 GEADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000792257014 653838757 /nfs/dbraw/zinc/83/87/57/653838757.db2.gz VGYQKNUZBINICY-OYLFLEFRSA-N 1 2 393.336 2.204 20 0 GEADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000792257010 653838845 /nfs/dbraw/zinc/83/88/45/653838845.db2.gz VGYQKNUZBINICY-MYYSRTQBSA-N 1 2 393.336 2.204 20 0 GEADLO O=C(Nc1nnc(SCc2ccccc2)s1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895589081 653842100 /nfs/dbraw/zinc/84/21/00/653842100.db2.gz GIFQTROZDBSPOY-CQSZACIVSA-N 1 2 376.507 2.490 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1nn2c(c1Br)CCC2 ZINC000895630338 653844145 /nfs/dbraw/zinc/84/41/45/653844145.db2.gz VNSLBNBYFSZCAS-UHFFFAOYSA-N 1 2 378.274 2.097 20 0 GEADLO CN(C)c1nc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c(Cl)n1-c1ccccc1 ZINC000895688012 653845937 /nfs/dbraw/zinc/84/59/37/653845937.db2.gz HWRWQPKXDFBKNP-MQMHXKEQSA-N 1 2 382.917 2.257 20 0 GEADLO CCOC(=O)C1=C(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)NC(=O)N[C@@H]1C ZINC000792900239 653855228 /nfs/dbraw/zinc/85/52/28/653855228.db2.gz FDTNJZBXNCVWOX-BPYAMOTFSA-N 1 2 376.284 2.021 20 0 GEADLO CCOC(=O)C1=C(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)NC(=O)N[C@@H]1C ZINC000792900239 653855229 /nfs/dbraw/zinc/85/52/29/653855229.db2.gz FDTNJZBXNCVWOX-BPYAMOTFSA-N 1 2 376.284 2.021 20 0 GEADLO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000895924988 653857181 /nfs/dbraw/zinc/85/71/81/653857181.db2.gz RXJHAYSDRXFMJW-LBPRGKRZSA-N 1 2 391.331 2.079 20 0 GEADLO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000895924988 653857182 /nfs/dbraw/zinc/85/71/82/653857182.db2.gz RXJHAYSDRXFMJW-LBPRGKRZSA-N 1 2 391.331 2.079 20 0 GEADLO O=C(/C=C/C=C(Cl)Cl)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000896013806 653860899 /nfs/dbraw/zinc/86/08/99/653860899.db2.gz MJVHSWVDHZPUBT-ZZXKWVIFSA-N 1 2 383.279 2.112 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000866995291 653862238 /nfs/dbraw/zinc/86/22/38/653862238.db2.gz DVJIDCZMOGLNOS-UPCLLVRISA-N 1 2 384.527 2.193 20 0 GEADLO CN1CC[NH+](CCCS(=O)(=O)Oc2cc(Cl)c(C=O)cc2Cl)CC1 ZINC000867020058 653866914 /nfs/dbraw/zinc/86/69/14/653866914.db2.gz YKSYPILTGYFVGB-UHFFFAOYSA-N 1 2 395.308 2.152 20 0 GEADLO CONC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000793164659 653868800 /nfs/dbraw/zinc/86/88/00/653868800.db2.gz YRXDERSYADINCU-ZDUSSCGKSA-N 1 2 389.237 2.116 20 0 GEADLO CONC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000793164659 653868802 /nfs/dbraw/zinc/86/88/02/653868802.db2.gz YRXDERSYADINCU-ZDUSSCGKSA-N 1 2 389.237 2.116 20 0 GEADLO CS(=O)(=O)C1CCC(C[NH2+]Cc2ncc(Br)cc2O)CC1 ZINC000896248043 653870561 /nfs/dbraw/zinc/87/05/61/653870561.db2.gz CAOCTYYHECGRKN-UHFFFAOYSA-N 1 2 377.304 2.243 20 0 GEADLO Cn1nc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Br ZINC000823881732 653882207 /nfs/dbraw/zinc/88/22/07/653882207.db2.gz CGKPDSFLNROBKD-UHFFFAOYSA-N 1 2 379.258 2.267 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896537483 653883163 /nfs/dbraw/zinc/88/31/63/653883163.db2.gz ZKPSDLOTQJEMGX-VJUNAUMWSA-N 1 2 380.330 2.303 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000896537483 653883166 /nfs/dbraw/zinc/88/31/66/653883166.db2.gz ZKPSDLOTQJEMGX-VJUNAUMWSA-N 1 2 380.330 2.303 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NCC(F)(F)C2(O)CCCCC2)n1 ZINC000896594232 653887110 /nfs/dbraw/zinc/88/71/10/653887110.db2.gz GCFZIGUDMPHPAV-UHFFFAOYSA-N 1 2 376.473 2.334 20 0 GEADLO Cc1cc(Br)sc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000846227887 653891851 /nfs/dbraw/zinc/89/18/51/653891851.db2.gz DSFGUOATQQLJSJ-ZETCQYMHSA-N 1 2 375.260 2.047 20 0 GEADLO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000896754680 653893597 /nfs/dbraw/zinc/89/35/97/653893597.db2.gz GRSGEZJQNNFFKV-LRDDRELGSA-N 1 2 395.297 2.331 20 0 GEADLO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000896754680 653893600 /nfs/dbraw/zinc/89/36/00/653893600.db2.gz GRSGEZJQNNFFKV-LRDDRELGSA-N 1 2 395.297 2.331 20 0 GEADLO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000824451323 653895700 /nfs/dbraw/zinc/89/57/00/653895700.db2.gz SNYOIMVYJOWFMC-GFCCVEGCSA-N 1 2 379.258 2.371 20 0 GEADLO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000824451323 653895704 /nfs/dbraw/zinc/89/57/04/653895704.db2.gz SNYOIMVYJOWFMC-GFCCVEGCSA-N 1 2 379.258 2.371 20 0 GEADLO CC(=O)N[C@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)c1cccc(Br)c1 ZINC000896905341 653898964 /nfs/dbraw/zinc/89/89/64/653898964.db2.gz FPCABJMTXAIXOB-HNNXBMFYSA-N 1 2 379.258 2.283 20 0 GEADLO Cc1[nH]c(CNC(=O)COc2cccc(I)c2)[nH+]c1C ZINC000896910409 653899063 /nfs/dbraw/zinc/89/90/63/653899063.db2.gz PABBNVUCUVIQDZ-UHFFFAOYSA-N 1 2 385.205 2.326 20 0 GEADLO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000867233561 653899537 /nfs/dbraw/zinc/89/95/37/653899537.db2.gz UZSIRQVFASPELU-LBPRGKRZSA-N 1 2 394.324 2.121 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3cc(Br)nn3C)C2)s1 ZINC000896971286 653900991 /nfs/dbraw/zinc/90/09/91/653900991.db2.gz RSPJKEFTFRFKNN-SECBINFHSA-N 1 2 385.287 2.415 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3cc(Br)nn3C)C2)s1 ZINC000896971286 653900996 /nfs/dbraw/zinc/90/09/96/653900996.db2.gz RSPJKEFTFRFKNN-SECBINFHSA-N 1 2 385.287 2.415 20 0 GEADLO O=C1Nc2ncc(Br)cc2C[C@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000897223858 653910980 /nfs/dbraw/zinc/91/09/80/653910980.db2.gz ABQKJZQHQCJRTB-GFCCVEGCSA-N 1 2 389.257 2.210 20 0 GEADLO O=C1Nc2ncc(Br)cc2C[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000897223858 653910984 /nfs/dbraw/zinc/91/09/84/653910984.db2.gz ABQKJZQHQCJRTB-GFCCVEGCSA-N 1 2 389.257 2.210 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+](CC2(Br)CC2)C1)c1cccc(F)c1 ZINC000846825665 653911268 /nfs/dbraw/zinc/91/12/68/653911268.db2.gz MKLBKTHRXIXXBM-CYBMUJFWSA-N 1 2 391.306 2.496 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@@H+](CC2(Br)CC2)C1)c1cccc(F)c1 ZINC000846825665 653911270 /nfs/dbraw/zinc/91/12/70/653911270.db2.gz MKLBKTHRXIXXBM-CYBMUJFWSA-N 1 2 391.306 2.496 20 0 GEADLO CCn1nc(C)c(C[N@@H+]2CCn3ncc(I)c3C2)c1C ZINC000897291667 653914769 /nfs/dbraw/zinc/91/47/69/653914769.db2.gz XHIYOYWOMXFGBP-UHFFFAOYSA-N 1 2 385.253 2.337 20 0 GEADLO CCn1nc(C)c(C[N@H+]2CCn3ncc(I)c3C2)c1C ZINC000897291667 653914773 /nfs/dbraw/zinc/91/47/73/653914773.db2.gz XHIYOYWOMXFGBP-UHFFFAOYSA-N 1 2 385.253 2.337 20 0 GEADLO Cc1cnc(Cl)c(S(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000885334434 653927374 /nfs/dbraw/zinc/92/73/74/653927374.db2.gz AHOUMIFYSFBSBD-UHFFFAOYSA-N 1 2 398.941 2.470 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000897583610 653928767 /nfs/dbraw/zinc/92/87/67/653928767.db2.gz PDJCNJMQYCFPDJ-SNVBAGLBSA-N 1 2 399.236 2.076 20 0 GEADLO Cc1ccc2c(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)csc2c1 ZINC000795089341 653930065 /nfs/dbraw/zinc/93/00/65/653930065.db2.gz QVYYALOAXBYXAD-UHFFFAOYSA-N 1 2 380.535 2.449 20 0 GEADLO C[C@H](CNC(=O)c1ccccc1S(=O)(=O)C(F)(F)F)Cn1cc[nH+]c1 ZINC000847513335 653931764 /nfs/dbraw/zinc/93/17/64/653931764.db2.gz JGUDFEAIVICKQG-LLVKDONJSA-N 1 2 375.372 2.243 20 0 GEADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H](O)c2cccc(Br)c2)[nH]n1 ZINC000897690386 653933462 /nfs/dbraw/zinc/93/34/62/653933462.db2.gz RYVSRQVVFFDMFW-JKSUJKDBSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H](O)c2cccc(Br)c2)[nH]n1 ZINC000897690386 653933465 /nfs/dbraw/zinc/93/34/65/653933465.db2.gz RYVSRQVVFFDMFW-JKSUJKDBSA-N 1 2 393.285 2.402 20 0 GEADLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000847568107 653935016 /nfs/dbraw/zinc/93/50/16/653935016.db2.gz VXAYJAGDBXYQIW-MFKMUULPSA-N 1 2 376.400 2.193 20 0 GEADLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000847568107 653935018 /nfs/dbraw/zinc/93/50/18/653935018.db2.gz VXAYJAGDBXYQIW-MFKMUULPSA-N 1 2 376.400 2.193 20 0 GEADLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1nc(F)ccc1Br ZINC000847581621 653935721 /nfs/dbraw/zinc/93/57/21/653935721.db2.gz LAMDQEXOOJBNKD-CHWSQXEVSA-N 1 2 386.265 2.356 20 0 GEADLO CC(=O)c1cn(C2CN(Cc3c[nH+]c4c(C)cc(Br)cn34)C2)nn1 ZINC000897938665 653945182 /nfs/dbraw/zinc/94/51/82/653945182.db2.gz LVOGMOUTHBYVNZ-UHFFFAOYSA-N 1 2 389.257 2.256 20 0 GEADLO COc1cnc(F)c(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000897977639 653946901 /nfs/dbraw/zinc/94/69/01/653946901.db2.gz GRNDXQOTFZSAAJ-GFCCVEGCSA-N 1 2 381.205 2.040 20 0 GEADLO COC(=O)c1cc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)oc1C ZINC000897977790 653946976 /nfs/dbraw/zinc/94/69/76/653946976.db2.gz KLRRJHMWKDUNQQ-ZDUSSCGKSA-N 1 2 394.225 2.185 20 0 GEADLO C[C@H](NC(=O)c1ccc(C(F)(F)Br)nc1)[C@H](C)[NH+]1CCOCC1 ZINC000826571966 653953620 /nfs/dbraw/zinc/95/36/20/653953620.db2.gz MOHBEPLSYQXAPQ-QWRGUYRKSA-N 1 2 392.244 2.365 20 0 GEADLO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](CN2Cc3c(cccc3Cl)C2=O)C1 ZINC000795449546 653953734 /nfs/dbraw/zinc/95/37/34/653953734.db2.gz UZPJKLWJLHKGAW-SNVBAGLBSA-N 1 2 375.778 2.254 20 0 GEADLO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](CN2Cc3c(cccc3Cl)C2=O)C1 ZINC000795449546 653953736 /nfs/dbraw/zinc/95/37/36/653953736.db2.gz UZPJKLWJLHKGAW-SNVBAGLBSA-N 1 2 375.778 2.254 20 0 GEADLO C[C@@](O)(C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C(F)F ZINC000885975469 653964585 /nfs/dbraw/zinc/96/45/85/653964585.db2.gz SAVIDRVHPNQDSG-CYBMUJFWSA-N 1 2 388.889 2.114 20 0 GEADLO C[C@@](O)(C[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C(F)F ZINC000885975469 653964591 /nfs/dbraw/zinc/96/45/91/653964591.db2.gz SAVIDRVHPNQDSG-CYBMUJFWSA-N 1 2 388.889 2.114 20 0 GEADLO CO[C@@H](C)C[N@H+](C)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000795750268 653964930 /nfs/dbraw/zinc/96/49/30/653964930.db2.gz KYGHKXWKPVOZFM-YVEFUNNKSA-N 1 2 383.286 2.390 20 0 GEADLO CO[C@@H](C)C[N@@H+](C)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000795750268 653964935 /nfs/dbraw/zinc/96/49/35/653964935.db2.gz KYGHKXWKPVOZFM-YVEFUNNKSA-N 1 2 383.286 2.390 20 0 GEADLO C[C@@](O)(C[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1)C(F)F ZINC000885980257 653964949 /nfs/dbraw/zinc/96/49/49/653964949.db2.gz XJDITUPXAYJKPS-OAHLLOKOSA-N 1 2 377.229 2.223 20 0 GEADLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](CCF)C2)CC1(Br)Br ZINC000898506635 653974343 /nfs/dbraw/zinc/97/43/43/653974343.db2.gz GBOKGNFQECWDCK-GXSJLCMTSA-N 1 2 386.103 2.433 20 0 GEADLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)CC1(Br)Br ZINC000898506635 653974344 /nfs/dbraw/zinc/97/43/44/653974344.db2.gz GBOKGNFQECWDCK-GXSJLCMTSA-N 1 2 386.103 2.433 20 0 GEADLO C[C@H]1CCN(C(=O)NCc2ncc(Br)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000898391539 653967500 /nfs/dbraw/zinc/96/75/00/653967500.db2.gz ASRJYIQPCDBQEK-AAEUAGOBSA-N 1 2 379.262 2.228 20 0 GEADLO CCC1(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCC(F)(F)CC1 ZINC000827049021 653972262 /nfs/dbraw/zinc/97/22/62/653972262.db2.gz UNJKURDNNUTOPT-UHFFFAOYSA-N 1 2 380.501 2.217 20 0 GEADLO CC[C@@H](NC(C)=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000867701456 653974278 /nfs/dbraw/zinc/97/42/78/653974278.db2.gz HUEIELUWBVKQBR-OAHLLOKOSA-N 1 2 397.317 2.054 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)C[C@H]1C ZINC000795903890 653976569 /nfs/dbraw/zinc/97/65/69/653976569.db2.gz PFBHZJAYHPKYBZ-GHMZBOCLSA-N 1 2 392.880 2.369 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)C[C@H]1C ZINC000795903890 653976571 /nfs/dbraw/zinc/97/65/71/653976571.db2.gz PFBHZJAYHPKYBZ-GHMZBOCLSA-N 1 2 392.880 2.369 20 0 GEADLO O=S(=O)(c1cccc2scnc21)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848513534 653985658 /nfs/dbraw/zinc/98/56/58/653985658.db2.gz GVAFLYKKQKZVNB-CQSZACIVSA-N 1 2 381.523 2.172 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cn1ccc(Br)cc1=O ZINC000867802193 653989079 /nfs/dbraw/zinc/98/90/79/653989079.db2.gz MDZOKAGHYNBVHX-UHFFFAOYSA-N 1 2 395.301 2.309 20 0 GEADLO CCOc1c(Br)cc(C(=O)N[C@H](CO)c2c[nH+]cn2C)cc1OC ZINC000898879942 653990602 /nfs/dbraw/zinc/99/06/02/653990602.db2.gz UUOBWHZGKSMULM-GFCCVEGCSA-N 1 2 398.257 2.053 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CSCc1ccc(Br)cc1 ZINC000898891744 653990910 /nfs/dbraw/zinc/99/09/10/653990910.db2.gz KYDHUFQHUWZRIR-ZDUSSCGKSA-N 1 2 384.299 2.266 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000898888224 653990920 /nfs/dbraw/zinc/99/09/20/653990920.db2.gz IKPJTCGJLVVJAM-CYBMUJFWSA-N 1 2 377.242 2.056 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000898893476 653991303 /nfs/dbraw/zinc/99/13/03/653991303.db2.gz CVWNFBDLENTCQS-HIFRSBDPSA-N 1 2 383.235 2.070 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)Cc3sccc3Br)CC2)CC1 ZINC000827435638 653991635 /nfs/dbraw/zinc/99/16/35/653991635.db2.gz QLTACIIFGSTXFL-UHFFFAOYSA-N 1 2 386.359 2.292 20 0 GEADLO COC(=O)CCn1nc(C)c(C[N@@H+]2CCn3ncc(Br)c3C2)c1C ZINC000827451455 653992546 /nfs/dbraw/zinc/99/25/46/653992546.db2.gz JGYNBDUGSCKSDE-UHFFFAOYSA-N 1 2 396.289 2.038 20 0 GEADLO COC(=O)CCn1nc(C)c(C[N@H+]2CCn3ncc(Br)c3C2)c1C ZINC000827451455 653992547 /nfs/dbraw/zinc/99/25/47/653992547.db2.gz JGYNBDUGSCKSDE-UHFFFAOYSA-N 1 2 396.289 2.038 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)Cc3ccc(Br)cc3)CC2)CC1 ZINC000827472980 653993691 /nfs/dbraw/zinc/99/36/91/653993691.db2.gz DPPANLCZBNWNLM-UHFFFAOYSA-N 1 2 380.330 2.230 20 0 GEADLO Cc1cn(C(C)(C)C(=O)N2CC(O)(c3ccc(Br)cc3)C2)c[nH+]1 ZINC000898987848 653994514 /nfs/dbraw/zinc/99/45/14/653994514.db2.gz POVCMBBGCOTCJP-UHFFFAOYSA-N 1 2 378.270 2.419 20 0 GEADLO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000886722231 653995572 /nfs/dbraw/zinc/99/55/72/653995572.db2.gz ZHHRWCWPXHGOTQ-CQSZACIVSA-N 1 2 384.299 2.302 20 0 GEADLO O=C(C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1)NCCOc1ccc(Cl)cc1 ZINC000886793765 654000396 /nfs/dbraw/zinc/00/03/96/654000396.db2.gz SWACOXJWYLNWSQ-OAHLLOKOSA-N 1 2 380.794 2.082 20 0 GEADLO O=C(C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1)NCCOc1ccc(Cl)cc1 ZINC000886793765 654000400 /nfs/dbraw/zinc/00/04/00/654000400.db2.gz SWACOXJWYLNWSQ-OAHLLOKOSA-N 1 2 380.794 2.082 20 0 GEADLO O=C(NC1(c2ncc(Br)cn2)CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000886836946 654004016 /nfs/dbraw/zinc/00/40/16/654004016.db2.gz WVTJHEFAYIKWMV-NSHDSACASA-N 1 2 376.258 2.194 20 0 GEADLO COC(=O)c1sccc1N1C(=O)C[C@H]([NH+]2CCC(CSC)CC2)C1=O ZINC000899245587 654006343 /nfs/dbraw/zinc/00/63/43/654006343.db2.gz RSDABLMZXLDAEU-ZDUSSCGKSA-N 1 2 382.507 2.242 20 0 GEADLO COc1cccc([C@@H]2CN(C(=O)c3cc(=O)[nH]cc3Br)CC[NH2+]2)c1 ZINC000827944089 654013894 /nfs/dbraw/zinc/01/38/94/654013894.db2.gz WLJADWLKAOJXNJ-HNNXBMFYSA-N 1 2 392.253 2.345 20 0 GEADLO CCn1c(-c2cccc(Cl)c2)nnc1S(=O)(=O)CCc1c[nH+]cn1C ZINC000899470897 654016572 /nfs/dbraw/zinc/01/65/72/654016572.db2.gz VIUHINIVPBXWJO-UHFFFAOYSA-N 1 2 379.873 2.368 20 0 GEADLO O=C(N[C@@H]1COc2cccc(Br)c2C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000828027190 654017095 /nfs/dbraw/zinc/01/70/95/654017095.db2.gz OABZAPJIJAOMRO-RYUDHWBXSA-N 1 2 376.254 2.328 20 0 GEADLO CC(C)n1ncc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1I ZINC000868263696 654025968 /nfs/dbraw/zinc/02/59/68/654025968.db2.gz SJZUPTHPYZJJBR-SNVBAGLBSA-N 1 2 399.236 2.010 20 0 GEADLO C/C(=C\C(=O)Nc1cc2c(cc1Br)OCCO2)C[NH+]1CCOCC1 ZINC000900038196 654047381 /nfs/dbraw/zinc/04/73/81/654047381.db2.gz DGICMKUGGPEWBV-XYOKQWHBSA-N 1 2 397.269 2.437 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)c1 ZINC000868692153 654050474 /nfs/dbraw/zinc/05/04/74/654050474.db2.gz DGRLEFWIQNUAKE-ARFHVFGLSA-N 1 2 375.270 2.363 20 0 GEADLO CC[C@H](c1nnc(S[C@@H]2CCSC2)n1CCN1CCOCC1)[NH+](C)C ZINC000849849683 654059208 /nfs/dbraw/zinc/05/92/08/654059208.db2.gz FOBGTDVOJORKND-HUUCEWRRSA-N 1 2 385.603 2.221 20 0 GEADLO CC(C)n1ncc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c1Br ZINC000868890927 654061647 /nfs/dbraw/zinc/06/16/47/654061647.db2.gz FFNUGRXZJMCLJW-UHFFFAOYSA-N 1 2 387.322 2.409 20 0 GEADLO Cc1[nH+]ccn1CCCCOC(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000798697726 654074078 /nfs/dbraw/zinc/07/40/78/654074078.db2.gz NUSFAWCSGUIFTA-UHFFFAOYSA-N 1 2 377.875 2.191 20 0 GEADLO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cc(Br)n[nH]1 ZINC000829712240 654077631 /nfs/dbraw/zinc/07/76/31/654077631.db2.gz ZTSGRQVHNNYSKJ-UHFFFAOYSA-N 1 2 379.258 2.381 20 0 GEADLO C[C@@H](CNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)Cn1cc[nH+]c1 ZINC000900787513 654080344 /nfs/dbraw/zinc/08/03/44/654080344.db2.gz LUULXGKVSWQSJE-NHYWBVRUSA-N 1 2 392.253 2.180 20 0 GEADLO Cc1nc(SCC(C)C)sc1CC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900805540 654081632 /nfs/dbraw/zinc/08/16/32/654081632.db2.gz QGHPANWNFDZPQJ-DZGCQCFKSA-N 1 2 384.615 2.493 20 0 GEADLO Cc1nc(SCC(C)C)sc1CC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000900805540 654081635 /nfs/dbraw/zinc/08/16/35/654081635.db2.gz QGHPANWNFDZPQJ-DZGCQCFKSA-N 1 2 384.615 2.493 20 0 GEADLO Cn1ncc(Br)c1C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000798957932 654081907 /nfs/dbraw/zinc/08/19/07/654081907.db2.gz JSCNGCJBZLAGOM-UHFFFAOYSA-N 1 2 383.212 2.073 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900812173 654082563 /nfs/dbraw/zinc/08/25/63/654082563.db2.gz SKHNXSLXJUPGJD-ONGXEEELSA-N 1 2 396.504 2.356 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900812173 654082565 /nfs/dbraw/zinc/08/25/65/654082565.db2.gz SKHNXSLXJUPGJD-ONGXEEELSA-N 1 2 396.504 2.356 20 0 GEADLO Cn1cc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)c(Br)n1 ZINC000888417301 654082670 /nfs/dbraw/zinc/08/26/70/654082670.db2.gz FKDYHYIPTYVCSH-UHFFFAOYSA-N 1 2 392.301 2.182 20 0 GEADLO Cc1nccnc1N1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000799325380 654092102 /nfs/dbraw/zinc/09/21/02/654092102.db2.gz BSEYTSMGOYTYSW-INIZCTEOSA-N 1 2 377.286 2.403 20 0 GEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1(c2cncc(Br)c2)CC1 ZINC000799522549 654099792 /nfs/dbraw/zinc/09/97/92/654099792.db2.gz QQCXYPGLEKPFCE-GASCZTMLSA-N 1 2 381.270 2.282 20 0 GEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1(c2cncc(Br)c2)CC1 ZINC000799522549 654099797 /nfs/dbraw/zinc/09/97/97/654099797.db2.gz QQCXYPGLEKPFCE-GASCZTMLSA-N 1 2 381.270 2.282 20 0 GEADLO O=C1C(=O)N(c2ccc(Br)cc2)C(=O)N1C[N@@H+]1CCCSCC1 ZINC000917461983 654125438 /nfs/dbraw/zinc/12/54/38/654125438.db2.gz GKQICJATFRVKQP-UHFFFAOYSA-N 1 2 398.282 2.141 20 0 GEADLO O=C1C(=O)N(c2ccc(Br)cc2)C(=O)N1C[N@H+]1CCCSCC1 ZINC000917461983 654125442 /nfs/dbraw/zinc/12/54/42/654125442.db2.gz GKQICJATFRVKQP-UHFFFAOYSA-N 1 2 398.282 2.141 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000889193620 654128381 /nfs/dbraw/zinc/12/83/81/654128381.db2.gz QTUDGZIHJHANPC-UHFFFAOYSA-N 1 2 383.802 2.278 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800158725 654133531 /nfs/dbraw/zinc/13/35/31/654133531.db2.gz CFHHJBVEVJSEHM-GFCCVEGCSA-N 1 2 383.905 2.175 20 0 GEADLO O=C(CCc1c(Cl)cccc1Cl)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870059603 654141593 /nfs/dbraw/zinc/14/15/93/654141593.db2.gz VUMSQSDESMBEIU-CQSZACIVSA-N 1 2 387.307 2.486 20 0 GEADLO COc1cccc([C@@H]2CN(C(=O)c3cc(Br)c[nH]c3=O)CC[NH2+]2)c1 ZINC000870155067 654146929 /nfs/dbraw/zinc/14/69/29/654146929.db2.gz SGRARCGXWPHGMF-HNNXBMFYSA-N 1 2 392.253 2.345 20 0 GEADLO CCN1CC[NH+](CCC(=O)Nc2nc3cc(F)c(Br)cc3[nH]2)CC1 ZINC000889648046 654155910 /nfs/dbraw/zinc/15/59/10/654155910.db2.gz LTOGHBDRHJOMGU-UHFFFAOYSA-N 1 2 398.280 2.431 20 0 GEADLO CCn1c[nH+]c2c1CCN(CN1C(=O)c3ccc(Br)cc3C1=O)C2 ZINC000902551853 654182903 /nfs/dbraw/zinc/18/29/03/654182903.db2.gz XKHFWBLMUXDHKZ-UHFFFAOYSA-N 1 2 389.253 2.277 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH+](CC[C@@H]3COC(C)(C)O3)CC2)c(C)s1 ZINC000851826457 654184159 /nfs/dbraw/zinc/18/41/59/654184159.db2.gz MNBZXECATJARKZ-OAHLLOKOSA-N 1 2 388.555 2.213 20 0 GEADLO Cc1ccc(C(=O)NC2CC[NH+](CCn3cnc(Br)n3)CC2)s1 ZINC000851834852 654187773 /nfs/dbraw/zinc/18/77/73/654187773.db2.gz WGZRNDBYWJVAJO-UHFFFAOYSA-N 1 2 398.330 2.305 20 0 GEADLO O=C(c1nnc(-c2cscn2)o1)N1CC[NH+](CCc2cccs2)CC1 ZINC000902619619 654188774 /nfs/dbraw/zinc/18/87/74/654188774.db2.gz BKEMCGDMRQFPDR-UHFFFAOYSA-N 1 2 375.479 2.255 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)n1 ZINC000919757532 654191817 /nfs/dbraw/zinc/19/18/17/654191817.db2.gz VMBOAFIICBRFMO-GHMZBOCLSA-N 1 2 378.420 2.381 20 0 GEADLO C[C@@H](NS(=O)(=O)c1sc2ccccc2c1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000919982689 654198085 /nfs/dbraw/zinc/19/80/85/654198085.db2.gz VYWKDFGKAVXFGG-YPMHNXCESA-N 1 2 387.958 2.467 20 0 GEADLO C[C@@H](NS(=O)(=O)c1sc2ccccc2c1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000919982689 654198088 /nfs/dbraw/zinc/19/80/88/654198088.db2.gz VYWKDFGKAVXFGG-YPMHNXCESA-N 1 2 387.958 2.467 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1Cl ZINC000920011138 654199773 /nfs/dbraw/zinc/19/97/73/654199773.db2.gz SNAKLEVFURBSRY-AAEUAGOBSA-N 1 2 380.341 2.214 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1Cl ZINC000920011138 654199776 /nfs/dbraw/zinc/19/97/76/654199776.db2.gz SNAKLEVFURBSRY-AAEUAGOBSA-N 1 2 380.341 2.214 20 0 GEADLO O=C(NCC[N@H+]1CC[C@@H](O)C1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902960658 654205600 /nfs/dbraw/zinc/20/56/00/654205600.db2.gz ZNMXXBACSPMMOT-SECBINFHSA-N 1 2 387.736 2.028 20 0 GEADLO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902960658 654205606 /nfs/dbraw/zinc/20/56/06/654205606.db2.gz ZNMXXBACSPMMOT-SECBINFHSA-N 1 2 387.736 2.028 20 0 GEADLO C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000870942659 654210842 /nfs/dbraw/zinc/21/08/42/654210842.db2.gz RISJNWGEYODWEZ-KBXCAEBGSA-N 1 2 392.297 2.318 20 0 GEADLO C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000870947004 654213161 /nfs/dbraw/zinc/21/31/61/654213161.db2.gz NDPIOQIHCOQMND-RDTXWAMCSA-N 1 2 392.297 2.318 20 0 GEADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCn2ncc(Br)c2C1 ZINC000852021683 654213577 /nfs/dbraw/zinc/21/35/77/654213577.db2.gz BTUBAVHEWACCHE-UHFFFAOYSA-N 1 2 390.285 2.187 20 0 GEADLO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCn1cnc(Br)n1 ZINC000852038450 654214487 /nfs/dbraw/zinc/21/44/87/654214487.db2.gz OEDUHKYWMISDCJ-ZDUSSCGKSA-N 1 2 388.310 2.421 20 0 GEADLO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCn1cnc(Br)n1 ZINC000852038450 654214492 /nfs/dbraw/zinc/21/44/92/654214492.db2.gz OEDUHKYWMISDCJ-ZDUSSCGKSA-N 1 2 388.310 2.421 20 0 GEADLO CCC(CC)CCCN(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000852087675 654217316 /nfs/dbraw/zinc/21/73/16/654217316.db2.gz PROCIYAOCFYBIC-UHFFFAOYSA-N 1 2 375.579 2.353 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000920625670 654217391 /nfs/dbraw/zinc/21/73/91/654217391.db2.gz MBZMIOGWRKNPQV-UHFFFAOYSA-N 1 2 381.479 2.195 20 0 GEADLO O=C(NCc1ccc(Br)cc1F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852092541 654217713 /nfs/dbraw/zinc/21/77/13/654217713.db2.gz RBOKAQRAEMXFRU-AWEZNQCLSA-N 1 2 386.265 2.204 20 0 GEADLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000903138200 654219614 /nfs/dbraw/zinc/21/96/14/654219614.db2.gz KUPDCDRZQYPJPT-UHFFFAOYSA-N 1 2 391.266 2.147 20 0 GEADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cn(-c2ccccc2Br)nn1 ZINC000802241484 654223720 /nfs/dbraw/zinc/22/37/20/654223720.db2.gz OKNJREAUASQZQV-LLVKDONJSA-N 1 2 383.221 2.230 20 0 GEADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cn(-c2ccccc2Br)nn1 ZINC000802241484 654223723 /nfs/dbraw/zinc/22/37/23/654223723.db2.gz OKNJREAUASQZQV-LLVKDONJSA-N 1 2 383.221 2.230 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@@H+](Cc1cc(Cl)nc(Cl)c1)C[C@H](O)CO ZINC000852180333 654223840 /nfs/dbraw/zinc/22/38/40/654223840.db2.gz SUCWRFGRQRHRIH-LBPRGKRZSA-N 1 2 394.299 2.068 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@H+](Cc1cc(Cl)nc(Cl)c1)C[C@H](O)CO ZINC000852180333 654223844 /nfs/dbraw/zinc/22/38/44/654223844.db2.gz SUCWRFGRQRHRIH-LBPRGKRZSA-N 1 2 394.299 2.068 20 0 GEADLO O=C(/C=C/c1ccc(Br)o1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871220228 654225083 /nfs/dbraw/zinc/22/50/83/654225083.db2.gz MQYQTUJMYSBRHU-DUXPYHPUSA-N 1 2 391.269 2.232 20 0 GEADLO O=S(=O)(Cc1cc2c(cc1Br)OCO2)N1CCc2c[nH+]ccc21 ZINC000903196694 654225649 /nfs/dbraw/zinc/22/56/49/654225649.db2.gz DGNDLMZBJOMZAU-UHFFFAOYSA-N 1 2 397.250 2.465 20 0 GEADLO COc1cc([C@H](C)[NH2+]Cc2nc(CN(C)C)cs2)ccc1S(C)(=O)=O ZINC000903224886 654228473 /nfs/dbraw/zinc/22/84/73/654228473.db2.gz AFXCKNJREJQRBA-LBPRGKRZSA-N 1 2 383.539 2.468 20 0 GEADLO O=C(NC[C@@H](O)c1cccc(Br)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000802317369 654228794 /nfs/dbraw/zinc/22/87/94/654228794.db2.gz MMDUQEBBYGVKML-MRXNPFEDSA-N 1 2 387.237 2.493 20 0 GEADLO COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)CCn1cc[nH+]c1 ZINC000871397592 654233195 /nfs/dbraw/zinc/23/31/95/654233195.db2.gz WEFRZFHYRNEYSP-ZDUSSCGKSA-N 1 2 386.271 2.470 20 0 GEADLO CC[N@H+](CCOC)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000921047077 654233394 /nfs/dbraw/zinc/23/33/94/654233394.db2.gz UZMDBEJFDYZTQR-INIZCTEOSA-N 1 2 384.274 2.142 20 0 GEADLO CC[N@@H+](CCOC)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000921047077 654233400 /nfs/dbraw/zinc/23/34/00/654233400.db2.gz UZMDBEJFDYZTQR-INIZCTEOSA-N 1 2 384.274 2.142 20 0 GEADLO CC[N@H+](CCOC)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000921045783 654233514 /nfs/dbraw/zinc/23/35/14/654233514.db2.gz DXGLNJMRZIEITG-INIZCTEOSA-N 1 2 384.274 2.142 20 0 GEADLO CC[N@@H+](CCOC)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000921045783 654233521 /nfs/dbraw/zinc/23/35/21/654233521.db2.gz DXGLNJMRZIEITG-INIZCTEOSA-N 1 2 384.274 2.142 20 0 GEADLO C[C@]12CC[N@H+](CC(=O)N3CCCC3)C[C@H]1C2(Br)Br ZINC000852335671 654233529 /nfs/dbraw/zinc/23/35/29/654233529.db2.gz JZKZHRSJWQGNLE-PWSUYJOCSA-N 1 2 380.124 2.437 20 0 GEADLO C[C@]12CC[N@@H+](CC(=O)N3CCCC3)C[C@H]1C2(Br)Br ZINC000852335671 654233534 /nfs/dbraw/zinc/23/35/34/654233534.db2.gz JZKZHRSJWQGNLE-PWSUYJOCSA-N 1 2 380.124 2.437 20 0 GEADLO Cc1c(S(=O)(=O)NCc2nc(C[NH+](C)C)cs2)c2ccccc2n1C ZINC000921092191 654235341 /nfs/dbraw/zinc/23/53/41/654235341.db2.gz CYOAICKCCWZBHB-UHFFFAOYSA-N 1 2 378.523 2.483 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)n1 ZINC000921093774 654235812 /nfs/dbraw/zinc/23/58/12/654235812.db2.gz RJGIRFADHYQGME-UHFFFAOYSA-N 1 2 391.421 2.005 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(Br)cc2)n1 ZINC000921093834 654235860 /nfs/dbraw/zinc/23/58/60/654235860.db2.gz SJFCPXURSRRLKN-UHFFFAOYSA-N 1 2 390.328 2.446 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCc2c(Br)ccc(F)c2C1 ZINC000832114921 654236495 /nfs/dbraw/zinc/23/64/95/654236495.db2.gz GXWRVLBVOBQIGP-UHFFFAOYSA-N 1 2 379.233 2.156 20 0 GEADLO CC(=O)NC[C@H]1CCC[N@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000802726119 654236994 /nfs/dbraw/zinc/23/69/94/654236994.db2.gz DLQRLPHFJXRZOH-CYBMUJFWSA-N 1 2 380.286 2.211 20 0 GEADLO CC(=O)NC[C@H]1CCC[N@@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000802726119 654236998 /nfs/dbraw/zinc/23/69/98/654236998.db2.gz DLQRLPHFJXRZOH-CYBMUJFWSA-N 1 2 380.286 2.211 20 0 GEADLO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1=O ZINC000903387407 654237371 /nfs/dbraw/zinc/23/73/71/654237371.db2.gz FJDBOLRSPPVBHJ-TVQRCGJNSA-N 1 2 394.324 2.302 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)ccc1Br ZINC000852431430 654238708 /nfs/dbraw/zinc/23/87/08/654238708.db2.gz BTOILVXDCLVQMZ-CYBMUJFWSA-N 1 2 382.258 2.223 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](N3CCOC3=O)C2)ccc1Br ZINC000852431430 654238711 /nfs/dbraw/zinc/23/87/11/654238711.db2.gz BTOILVXDCLVQMZ-CYBMUJFWSA-N 1 2 382.258 2.223 20 0 GEADLO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921321555 654246931 /nfs/dbraw/zinc/24/69/31/654246931.db2.gz GQSFQKDYBYCIQK-JKSUJKDBSA-N 1 2 386.587 2.014 20 0 GEADLO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921321555 654246939 /nfs/dbraw/zinc/24/69/39/654246939.db2.gz GQSFQKDYBYCIQK-JKSUJKDBSA-N 1 2 386.587 2.014 20 0 GEADLO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921321554 654247181 /nfs/dbraw/zinc/24/71/81/654247181.db2.gz GQSFQKDYBYCIQK-HZPDHXFCSA-N 1 2 386.587 2.014 20 0 GEADLO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921321554 654247186 /nfs/dbraw/zinc/24/71/86/654247186.db2.gz GQSFQKDYBYCIQK-HZPDHXFCSA-N 1 2 386.587 2.014 20 0 GEADLO COC(=O)N(C)CC[N@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000852569622 654248240 /nfs/dbraw/zinc/24/82/40/654248240.db2.gz GKPKSLKWOYWMKP-UHFFFAOYSA-N 1 2 394.216 2.296 20 0 GEADLO COC(=O)N(C)CC[N@@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000852569622 654248247 /nfs/dbraw/zinc/24/82/47/654248247.db2.gz GKPKSLKWOYWMKP-UHFFFAOYSA-N 1 2 394.216 2.296 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c(Cl)ccnc1Cl ZINC000921322863 654248369 /nfs/dbraw/zinc/24/83/69/654248369.db2.gz YUTMSDLHRTUOKG-QWRGUYRKSA-N 1 2 382.338 2.247 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1c(Cl)ccnc1Cl ZINC000921322863 654248372 /nfs/dbraw/zinc/24/83/72/654248372.db2.gz YUTMSDLHRTUOKG-QWRGUYRKSA-N 1 2 382.338 2.247 20 0 GEADLO COC(=O)NC1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000852770972 654259853 /nfs/dbraw/zinc/25/98/53/654259853.db2.gz HQWRZWYFYSZUKE-UHFFFAOYSA-N 1 2 385.218 2.413 20 0 GEADLO O=C(C=C1CC[NH2+]CC1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000852850943 654263432 /nfs/dbraw/zinc/26/34/32/654263432.db2.gz LMAPWWPFNYYRNB-UHFFFAOYSA-N 1 2 378.479 2.192 20 0 GEADLO C[C@@H]1CN(c2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cn2)C[C@H](C)O1 ZINC000921538003 654279082 /nfs/dbraw/zinc/27/90/82/654279082.db2.gz JDUBYWVBYZNOEY-TXEJJXNPSA-N 1 2 380.290 2.471 20 0 GEADLO CC(C)NS(=O)(=O)c1cccc(C[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC000921579200 654285380 /nfs/dbraw/zinc/28/53/80/654285380.db2.gz RVSPCGFQOTVZDU-UHFFFAOYSA-N 1 2 387.303 2.149 20 0 GEADLO CNC(=O)Cc1nc(C[N@H+](C)C[C@H](O)c2ccccc2Br)cs1 ZINC000832680972 654287429 /nfs/dbraw/zinc/28/74/29/654287429.db2.gz YDOOJLWHPVCTDY-AWEZNQCLSA-N 1 2 398.326 2.360 20 0 GEADLO CNC(=O)Cc1nc(C[N@@H+](C)C[C@H](O)c2ccccc2Br)cs1 ZINC000832680972 654287436 /nfs/dbraw/zinc/28/74/36/654287436.db2.gz YDOOJLWHPVCTDY-AWEZNQCLSA-N 1 2 398.326 2.360 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2nc3c(s2)CCCC3)C1 ZINC000921590603 654288718 /nfs/dbraw/zinc/28/87/18/654288718.db2.gz ALSKMBZANSDLSP-UHFFFAOYSA-N 1 2 377.535 2.488 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2nc3c(s2)CCCC3)C1 ZINC000921590603 654288721 /nfs/dbraw/zinc/28/87/21/654288721.db2.gz ALSKMBZANSDLSP-UHFFFAOYSA-N 1 2 377.535 2.488 20 0 GEADLO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC000921596302 654289641 /nfs/dbraw/zinc/28/96/41/654289641.db2.gz MQOSLFKQMHEFRG-CQSZACIVSA-N 1 2 393.285 2.371 20 0 GEADLO [NH3+][C@H](c1nc(CC(=O)NC2CCCC2)no1)c1ccc(Br)cc1 ZINC000904107409 654302156 /nfs/dbraw/zinc/30/21/56/654302156.db2.gz APSDIDZXXNHQNZ-HNNXBMFYSA-N 1 2 379.258 2.482 20 0 GEADLO C[C@@]12COC[C@]1(C)C[N@@H+](CN1C(=O)N[C@](C)(c3ccc(Cl)s3)C1=O)C2 ZINC000853542674 654302669 /nfs/dbraw/zinc/30/26/69/654302669.db2.gz FUXJMVABDYKFBI-IXDOHACOSA-N 1 2 383.901 2.484 20 0 GEADLO C[C@@]12COC[C@]1(C)C[N@H+](CN1C(=O)N[C@](C)(c3ccc(Cl)s3)C1=O)C2 ZINC000853542674 654302672 /nfs/dbraw/zinc/30/26/72/654302672.db2.gz FUXJMVABDYKFBI-IXDOHACOSA-N 1 2 383.901 2.484 20 0 GEADLO C[N@H+](C[C@H]1COCCO1)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000853560762 654304519 /nfs/dbraw/zinc/30/45/19/654304519.db2.gz YFDUQAXTEJIFTE-JKSUJKDBSA-N 1 2 383.286 2.070 20 0 GEADLO C[N@@H+](C[C@H]1COCCO1)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000853560762 654304524 /nfs/dbraw/zinc/30/45/24/654304524.db2.gz YFDUQAXTEJIFTE-JKSUJKDBSA-N 1 2 383.286 2.070 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853604722 654308959 /nfs/dbraw/zinc/30/89/59/654308959.db2.gz HMSXDMWKDDKREL-IUODEOHRSA-N 1 2 390.311 2.389 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853604722 654308962 /nfs/dbraw/zinc/30/89/62/654308962.db2.gz HMSXDMWKDDKREL-IUODEOHRSA-N 1 2 390.311 2.389 20 0 GEADLO CC(C)Nc1nc(N2Cc3ccc(Br)cc3C2)nc(NCCO)[nH+]1 ZINC000804617661 654315090 /nfs/dbraw/zinc/31/50/90/654315090.db2.gz XQBCPADNQKWBOB-UHFFFAOYSA-N 1 2 393.289 2.379 20 0 GEADLO C[NH+]1CCN(c2ccc(NC[C@@H](O)CC(C)(C)O)cc2Br)CC1 ZINC000872211341 654317074 /nfs/dbraw/zinc/31/70/74/654317074.db2.gz AUMQQCGUWVFWEC-AWEZNQCLSA-N 1 2 386.334 2.135 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000892097321 654327913 /nfs/dbraw/zinc/32/79/13/654327913.db2.gz WIOHDQXXBADWHX-LBPRGKRZSA-N 1 2 389.315 2.274 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000892097321 654327915 /nfs/dbraw/zinc/32/79/15/654327915.db2.gz WIOHDQXXBADWHX-LBPRGKRZSA-N 1 2 389.315 2.274 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[N@H+](C)Cc3ccccc32)c(Br)n1C ZINC000804990453 654331903 /nfs/dbraw/zinc/33/19/03/654331903.db2.gz RKWBVKBKOXNMDR-UHFFFAOYSA-N 1 2 399.314 2.132 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[N@@H+](C)Cc3ccccc32)c(Br)n1C ZINC000804990453 654331906 /nfs/dbraw/zinc/33/19/06/654331906.db2.gz RKWBVKBKOXNMDR-UHFFFAOYSA-N 1 2 399.314 2.132 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc(OC)c2)cs1 ZINC000892180181 654332933 /nfs/dbraw/zinc/33/29/33/654332933.db2.gz RUJPMFJTWNGYGG-CQSZACIVSA-N 1 2 381.523 2.332 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1nc(-c2cccc(OC)c2)cs1 ZINC000892180181 654332939 /nfs/dbraw/zinc/33/29/39/654332939.db2.gz RUJPMFJTWNGYGG-CQSZACIVSA-N 1 2 381.523 2.332 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000905145000 654334538 /nfs/dbraw/zinc/33/45/38/654334538.db2.gz XXUIPZRUUWLBHZ-AAEUAGOBSA-N 1 2 379.262 2.371 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872437935 654334874 /nfs/dbraw/zinc/33/48/74/654334874.db2.gz UAMJXIZTUMPINL-LLVKDONJSA-N 1 2 382.873 2.178 20 0 GEADLO O=C(C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1)c1ccc(Br)s1 ZINC000834596745 654337087 /nfs/dbraw/zinc/33/70/87/654337087.db2.gz CNFJQAMCSGDTCY-UWVGGRQHSA-N 1 2 375.263 2.338 20 0 GEADLO O=S(=O)(c1ccc(F)c(C(F)F)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000872457811 654342121 /nfs/dbraw/zinc/34/21/21/654342121.db2.gz UMCQENIMXSTSOQ-LBPRGKRZSA-N 1 2 378.416 2.106 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)c2cccc(Br)n2)C[C@@H]1n1cc[nH+]c1 ZINC000872460507 654343648 /nfs/dbraw/zinc/34/36/48/654343648.db2.gz AXMMAFVJZJUFAE-NEPJUHHUSA-N 1 2 385.287 2.312 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(C)CC1(Br)Br ZINC000834709056 654344687 /nfs/dbraw/zinc/34/46/87/654344687.db2.gz KDGDWZQNIHDMON-PWSUYJOCSA-N 1 2 398.139 2.062 20 0 GEADLO COC(OC)[C@H](C)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000921938316 654344716 /nfs/dbraw/zinc/34/47/16/654344716.db2.gz FKKSBTMYWVKLMS-NSHDSACASA-N 1 2 399.289 2.254 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNc2ncnc3c2c(Br)nn3C(C)(C)C)C1 ZINC000892467165 654347338 /nfs/dbraw/zinc/34/73/38/654347338.db2.gz GWFOEPYTARMPSH-LLVKDONJSA-N 1 2 396.337 2.002 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNc2ncnc3c2c(Br)nn3C(C)(C)C)C1 ZINC000892467165 654347341 /nfs/dbraw/zinc/34/73/41/654347341.db2.gz GWFOEPYTARMPSH-LLVKDONJSA-N 1 2 396.337 2.002 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC[N@@H+]1CC(C)(C)O ZINC000872475078 654349480 /nfs/dbraw/zinc/34/94/80/654349480.db2.gz JBUWHLBFPRUYEP-NSHDSACASA-N 1 2 380.432 2.229 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC[N@H+]1CC(C)(C)O ZINC000872475078 654349483 /nfs/dbraw/zinc/34/94/83/654349483.db2.gz JBUWHLBFPRUYEP-NSHDSACASA-N 1 2 380.432 2.229 20 0 GEADLO C[NH+](C)C[C@H](NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1ccc(F)cc1 ZINC000872488454 654353838 /nfs/dbraw/zinc/35/38/38/654353838.db2.gz VZGREXNKTQFFOJ-LFVRLGFBSA-N 1 2 379.523 2.159 20 0 GEADLO O=C(CCSc1nc2ccccc2s1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000854355317 654355447 /nfs/dbraw/zinc/35/54/47/654355447.db2.gz YYIHXCAAWAZWDM-CQSZACIVSA-N 1 2 376.551 2.285 20 0 GEADLO O=C(CCSc1nc2ccccc2s1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000854355317 654355448 /nfs/dbraw/zinc/35/54/48/654355448.db2.gz YYIHXCAAWAZWDM-CQSZACIVSA-N 1 2 376.551 2.285 20 0 GEADLO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000835165001 654367533 /nfs/dbraw/zinc/36/75/33/654367533.db2.gz MPDLAFCDXFTEBW-LBPRGKRZSA-N 1 2 392.257 2.151 20 0 GEADLO C[N@H+](CN1C(=O)C[C@]2(CCc3cc(Br)ccc32)C1=O)[C@H]1CCOC1 ZINC000872578039 654374816 /nfs/dbraw/zinc/37/48/16/654374816.db2.gz YBCGJJGKKYMSFX-KSSFIOAISA-N 1 2 393.281 2.070 20 0 GEADLO C[N@@H+](CN1C(=O)C[C@]2(CCc3cc(Br)ccc32)C1=O)[C@H]1CCOC1 ZINC000872578039 654374817 /nfs/dbraw/zinc/37/48/17/654374817.db2.gz YBCGJJGKKYMSFX-KSSFIOAISA-N 1 2 393.281 2.070 20 0 GEADLO CC(C)(C)n1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c(Br)n1 ZINC000854726713 654379572 /nfs/dbraw/zinc/37/95/72/654379572.db2.gz GZZAGAZLBAYNCI-CYBMUJFWSA-N 1 2 399.333 2.337 20 0 GEADLO O=C(NCCn1cc(Br)cn1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000922458709 654394925 /nfs/dbraw/zinc/39/49/25/654394925.db2.gz RBBWGIHOZMCPBQ-UHFFFAOYSA-N 1 2 393.289 2.327 20 0 GEADLO C[C@]1(C(F)(F)F)CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000872848607 654400473 /nfs/dbraw/zinc/40/04/73/654400473.db2.gz HYRMSUACZXAXSU-LSDHHAIUSA-N 1 2 381.464 2.178 20 0 GEADLO O=C(NCC[S@](=O)CC(F)(F)F)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000855272295 654406077 /nfs/dbraw/zinc/40/60/77/654406077.db2.gz GXGZLPVXMNKESG-MQNRADLISA-N 1 2 376.444 2.468 20 0 GEADLO O=C(NCC[S@](=O)CC(F)(F)F)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000855272295 654406080 /nfs/dbraw/zinc/40/60/80/654406080.db2.gz GXGZLPVXMNKESG-MQNRADLISA-N 1 2 376.444 2.468 20 0 GEADLO C[C@@H](NCc1cccc(F)c1I)[C@@H]1C[N@H+](C)CCO1 ZINC000873081889 654413427 /nfs/dbraw/zinc/41/34/27/654413427.db2.gz VEPABUHSVPQMTE-MFKMUULPSA-N 1 2 378.229 2.239 20 0 GEADLO C[C@@H](NCc1cccc(F)c1I)[C@@H]1C[N@@H+](C)CCO1 ZINC000873081889 654413431 /nfs/dbraw/zinc/41/34/31/654413431.db2.gz VEPABUHSVPQMTE-MFKMUULPSA-N 1 2 378.229 2.239 20 0 GEADLO Cn1nc(Br)nc1C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000893986158 654436277 /nfs/dbraw/zinc/43/62/77/654436277.db2.gz LIXLWBYNXFWAKU-UHFFFAOYSA-N 1 2 392.301 2.314 20 0 GEADLO Cn1nc(Br)nc1C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000893986158 654436281 /nfs/dbraw/zinc/43/62/81/654436281.db2.gz LIXLWBYNXFWAKU-UHFFFAOYSA-N 1 2 392.301 2.314 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(Br)nn1C)c1cccc(N2CCOC2=O)c1 ZINC000894204041 654455837 /nfs/dbraw/zinc/45/58/37/654455837.db2.gz HMXJVIPIOUXLJM-SNVBAGLBSA-N 1 2 380.246 2.385 20 0 GEADLO CCOc1c(OC)cc(C[NH2+]Cc2nc(Br)nn2C)cc1OC ZINC000894209109 654456388 /nfs/dbraw/zinc/45/63/88/654456388.db2.gz NNRUGLRGKKCZDX-UHFFFAOYSA-N 1 2 385.262 2.283 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)c1cc(Br)cn(C2CC2)c1=O ZINC000906677095 654459319 /nfs/dbraw/zinc/45/93/19/654459319.db2.gz UKRBTAQIQDOERD-UHFFFAOYSA-N 1 2 379.258 2.352 20 0 GEADLO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1cn(C)nc1I ZINC000894256703 654459950 /nfs/dbraw/zinc/45/99/50/654459950.db2.gz FCDYRTVVSHWKSB-LBPRGKRZSA-N 1 2 383.237 2.290 20 0 GEADLO C[C@](CO)(NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000894310108 654464175 /nfs/dbraw/zinc/46/41/75/654464175.db2.gz SDXIWXDPCBCILY-WMLDXEAASA-N 1 2 393.285 2.167 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2cnc(Br)cn2)C1 ZINC000923536031 654464414 /nfs/dbraw/zinc/46/44/14/654464414.db2.gz HDHNYOFGZUOGTL-NSHDSACASA-N 1 2 379.262 2.062 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)NCc1cnc(Cl)cn1 ZINC000923631825 654472844 /nfs/dbraw/zinc/47/28/44/654472844.db2.gz QEXVCXWZHZZTIT-UHFFFAOYSA-N 1 2 378.889 2.078 20 0 GEADLO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCN(c2cccc[nH+]2)CC1 ZINC000906798628 654473338 /nfs/dbraw/zinc/47/33/38/654473338.db2.gz YWQVAWOFJBWZLF-UHFFFAOYSA-N 1 2 377.857 2.122 20 0 GEADLO CC(C)n1cc(Br)c(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000906825391 654476302 /nfs/dbraw/zinc/47/63/02/654476302.db2.gz GUNMOEJIFFOZHN-CYBMUJFWSA-N 1 2 385.306 2.163 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000894571929 654487413 /nfs/dbraw/zinc/48/74/13/654487413.db2.gz AEGQRGWVQDDRNM-QWHCGFSZSA-N 1 2 384.489 2.434 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000894571929 654487416 /nfs/dbraw/zinc/48/74/16/654487416.db2.gz AEGQRGWVQDDRNM-QWHCGFSZSA-N 1 2 384.489 2.434 20 0 GEADLO O=C(c1nscc1I)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000906928365 654488756 /nfs/dbraw/zinc/48/87/56/654488756.db2.gz PWYSYVPEIXXSQK-UHFFFAOYSA-N 1 2 388.234 2.491 20 0 GEADLO O=C(c1nscc1I)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000906928365 654488761 /nfs/dbraw/zinc/48/87/61/654488761.db2.gz PWYSYVPEIXXSQK-UHFFFAOYSA-N 1 2 388.234 2.491 20 0 GEADLO CCc1[nH]c(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1C(=O)OC ZINC000894607158 654490215 /nfs/dbraw/zinc/49/02/15/654490215.db2.gz PZOAYBGADVHHCX-OAHLLOKOSA-N 1 2 394.269 2.442 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNc1ncnc2c1c(Br)nn2C(C)(C)C ZINC000894761149 654497750 /nfs/dbraw/zinc/49/77/50/654497750.db2.gz RYESGNFQLDZGOT-JTQLQIEISA-N 1 2 383.294 2.086 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNc1ncnc2c1c(Br)nn2C(C)(C)C ZINC000894761149 654497755 /nfs/dbraw/zinc/49/77/55/654497755.db2.gz RYESGNFQLDZGOT-JTQLQIEISA-N 1 2 383.294 2.086 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000924130186 654502345 /nfs/dbraw/zinc/50/23/45/654502345.db2.gz YXEPPKWYPLIZQJ-ZDUSSCGKSA-N 1 2 378.226 2.394 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000894852874 654502308 /nfs/dbraw/zinc/50/23/08/654502308.db2.gz WTHQAKZOTYYMPM-CHWSQXEVSA-N 1 2 384.489 2.292 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000894852874 654502312 /nfs/dbraw/zinc/50/23/12/654502312.db2.gz WTHQAKZOTYYMPM-CHWSQXEVSA-N 1 2 384.489 2.292 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000907046262 654503366 /nfs/dbraw/zinc/50/33/66/654503366.db2.gz BFUWLFKCZQLPCA-UHFFFAOYSA-N 1 2 379.258 2.305 20 0 GEADLO Cn1nc(Br)nc1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000894915603 654505059 /nfs/dbraw/zinc/50/50/59/654505059.db2.gz DUFCFTAPRIOOCI-WZRBSPASSA-N 1 2 383.294 2.061 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 ZINC000907072578 654507309 /nfs/dbraw/zinc/50/73/09/654507309.db2.gz GKDITTNWMQMTEK-AWEZNQCLSA-N 1 2 382.917 2.175 20 0 GEADLO C[C@@H]1CN(C(=O)NCc2nc(C[NH+](C)C)cs2)CC[C@@H](C(F)(F)F)O1 ZINC000924790747 654524789 /nfs/dbraw/zinc/52/47/89/654524789.db2.gz JRQKKMQYIVOAMP-PWSUYJOCSA-N 1 2 380.436 2.456 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3[C@@H]4C(=O)CC[C@H]34)[nH+]c12 ZINC000907354335 654535316 /nfs/dbraw/zinc/53/53/16/654535316.db2.gz IXMWVYYWNCTTDL-AEGPPILISA-N 1 2 376.254 2.289 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCSC[C@H]2c2nccs2)C1 ZINC000907458256 654544999 /nfs/dbraw/zinc/54/49/99/654544999.db2.gz WPYUAZGAXGJDRS-KGLIPLIRSA-N 1 2 383.539 2.035 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCSC[C@H]2c2nccs2)C1 ZINC000907458256 654545001 /nfs/dbraw/zinc/54/50/01/654545001.db2.gz WPYUAZGAXGJDRS-KGLIPLIRSA-N 1 2 383.539 2.035 20 0 GEADLO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000925776588 654549018 /nfs/dbraw/zinc/54/90/18/654549018.db2.gz YBVUKJWQIMMUNO-CVEARBPZSA-N 1 2 393.285 2.018 20 0 GEADLO CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000925776588 654549020 /nfs/dbraw/zinc/54/90/20/654549020.db2.gz YBVUKJWQIMMUNO-CVEARBPZSA-N 1 2 393.285 2.018 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cnn(C)n3)C2=O)ccc1Br ZINC000926183679 654562992 /nfs/dbraw/zinc/56/29/92/654562992.db2.gz ORDHNFYBDVDQLT-RISCZKNCSA-N 1 2 378.274 2.342 20 0 GEADLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000926502188 654572548 /nfs/dbraw/zinc/57/25/48/654572548.db2.gz RDZRBJVXSAQPQM-JTQLQIEISA-N 1 2 377.080 2.221 20 0 GEADLO CC[C@H](C(=O)N(C)Cc1ncc(Br)cn1)[N@@H+]1CCO[C@H](CC)C1 ZINC000926977086 654586720 /nfs/dbraw/zinc/58/67/20/654586720.db2.gz LMUKPABDGQQONG-ZIAGYGMSSA-N 1 2 385.306 2.087 20 0 GEADLO CC[C@H](C(=O)N(C)Cc1ncc(Br)cn1)[N@H+]1CCO[C@H](CC)C1 ZINC000926977086 654586723 /nfs/dbraw/zinc/58/67/23/654586723.db2.gz LMUKPABDGQQONG-ZIAGYGMSSA-N 1 2 385.306 2.087 20 0 GEADLO CC[C@@H](C(=O)N(C)Cc1ncc(Br)cn1)[N@@H+]1CCO[C@H](CC)C1 ZINC000926977081 654586757 /nfs/dbraw/zinc/58/67/57/654586757.db2.gz LMUKPABDGQQONG-KGLIPLIRSA-N 1 2 385.306 2.087 20 0 GEADLO CC[C@@H](C(=O)N(C)Cc1ncc(Br)cn1)[N@H+]1CCO[C@H](CC)C1 ZINC000926977081 654586763 /nfs/dbraw/zinc/58/67/63/654586763.db2.gz LMUKPABDGQQONG-KGLIPLIRSA-N 1 2 385.306 2.087 20 0 GEADLO CS(=O)(=O)C[C@H](O)C[NH2+][C@@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000927029653 654590301 /nfs/dbraw/zinc/59/03/01/654590301.db2.gz UUDBHUIZHFVRCT-CJNGLKHVSA-N 1 2 389.304 2.473 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCc2cn(C)nc2Br)cc1 ZINC000927621135 654606529 /nfs/dbraw/zinc/60/65/29/654606529.db2.gz QUISWPPGRCDTKC-OAHLLOKOSA-N 1 2 393.285 2.082 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCc2cn(C)nc2Br)cc1 ZINC000927621135 654606532 /nfs/dbraw/zinc/60/65/32/654606532.db2.gz QUISWPPGRCDTKC-OAHLLOKOSA-N 1 2 393.285 2.082 20 0 GEADLO O=C(Nc1nc2c(s1)CSCC2)c1cccn1CC[NH+]1CCOCC1 ZINC000908136425 654607638 /nfs/dbraw/zinc/60/76/38/654607638.db2.gz BDLOOZNGJJLJNI-UHFFFAOYSA-N 1 2 378.523 2.318 20 0 GEADLO C[C@@H](C(=O)NCc1nc(C[NH+](C)C)cs1)c1ccc(S(C)(=O)=O)cc1 ZINC000927768626 654613035 /nfs/dbraw/zinc/61/30/35/654613035.db2.gz MCBIFRMYMBSIDQ-GFCCVEGCSA-N 1 2 381.523 2.028 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)CCOCC(F)(F)C(F)(F)F)n1 ZINC000927766989 654613042 /nfs/dbraw/zinc/61/30/42/654613042.db2.gz OPDWGIAXTOHRGH-UHFFFAOYSA-N 1 2 375.363 2.425 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2cnnn2-c2ccccc2Cl)n1 ZINC000927772505 654613393 /nfs/dbraw/zinc/61/33/93/654613393.db2.gz VJWUIWSJNYXDTE-UHFFFAOYSA-N 1 2 376.873 2.369 20 0 GEADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928357969 654642893 /nfs/dbraw/zinc/64/28/93/654642893.db2.gz LASVHILOLCCXNB-FZMZJTMJSA-N 1 2 376.258 2.362 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc2c(cc1Br)OCO2 ZINC000928647691 654654125 /nfs/dbraw/zinc/65/41/25/654654125.db2.gz IXWQAQZXJRLRKX-NSHDSACASA-N 1 2 385.258 2.018 20 0 GEADLO CCc1nc[nH]c1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000909260768 654657436 /nfs/dbraw/zinc/65/74/36/654657436.db2.gz AHMQNJDRGJVAIC-UHFFFAOYSA-N 1 2 393.289 2.134 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)CC(C)(C)C ZINC000928772129 654659394 /nfs/dbraw/zinc/65/93/94/654659394.db2.gz OJRRIMKDHYXSBL-UHFFFAOYSA-N 1 2 389.543 2.019 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)CC(C)(C)C ZINC000928772129 654659396 /nfs/dbraw/zinc/65/93/96/654659396.db2.gz OJRRIMKDHYXSBL-UHFFFAOYSA-N 1 2 389.543 2.019 20 0 GEADLO Cc1[nH]nc(Br)c1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000929471981 654685114 /nfs/dbraw/zinc/68/51/14/654685114.db2.gz AUIQQAFCZPRNKA-AWEZNQCLSA-N 1 2 393.285 2.111 20 0 GEADLO Cc1[nH]nc(Br)c1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000929471981 654685118 /nfs/dbraw/zinc/68/51/18/654685118.db2.gz AUIQQAFCZPRNKA-AWEZNQCLSA-N 1 2 393.285 2.111 20 0 GEADLO COCCC[N@H+](Cc1cnc(Br)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000929973154 654696530 /nfs/dbraw/zinc/69/65/30/654696530.db2.gz XBBBHBLVDGCRGV-AWEZNQCLSA-N 1 2 391.331 2.178 20 0 GEADLO COCCC[N@@H+](Cc1cnc(Br)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000929973154 654696531 /nfs/dbraw/zinc/69/65/31/654696531.db2.gz XBBBHBLVDGCRGV-AWEZNQCLSA-N 1 2 391.331 2.178 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)C/C=C\c2ccc(Br)cc2)CC1 ZINC000930242052 654702826 /nfs/dbraw/zinc/70/28/26/654702826.db2.gz OSZJGCDKZWMCPZ-IHWYPQMZSA-N 1 2 394.313 2.133 20 0 GEADLO CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000930251763 654703054 /nfs/dbraw/zinc/70/30/54/654703054.db2.gz ZDIKMWPMQYKURO-KBPBESRZSA-N 1 2 384.571 2.001 20 0 GEADLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930300921 654705203 /nfs/dbraw/zinc/70/52/03/654705203.db2.gz RNHYDJMZKLTGSX-ZLIFDBKOSA-N 1 2 393.285 2.266 20 0 GEADLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930300921 654705208 /nfs/dbraw/zinc/70/52/08/654705208.db2.gz RNHYDJMZKLTGSX-ZLIFDBKOSA-N 1 2 393.285 2.266 20 0 GEADLO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(Br)nc2N)C1 ZINC000930318522 654705780 /nfs/dbraw/zinc/70/57/80/654705780.db2.gz VDQXDKUUFYOOPF-MRXNPFEDSA-N 1 2 386.290 2.218 20 0 GEADLO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc(Br)nc2N)C1 ZINC000930318522 654705782 /nfs/dbraw/zinc/70/57/82/654705782.db2.gz VDQXDKUUFYOOPF-MRXNPFEDSA-N 1 2 386.290 2.218 20 0 GEADLO CCOC(=O)C1([S@](C)=O)CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000930604826 654714841 /nfs/dbraw/zinc/71/48/41/654714841.db2.gz TXDCZQAOJZVESD-IZEVZFMRSA-N 1 2 385.448 2.263 20 0 GEADLO Cc1nccc(NC(=O)NCc2nc(C[NH+](C)C)cs2)c1Br ZINC000931022767 654727009 /nfs/dbraw/zinc/72/70/09/654727009.db2.gz PJKGKBFLFDONKP-UHFFFAOYSA-N 1 2 384.303 2.414 20 0 GEADLO COc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2CS(N)(=O)=O)c1 ZINC000931229805 654735186 /nfs/dbraw/zinc/73/51/86/654735186.db2.gz FSDNDEIDPICOGW-GFCCVEGCSA-N 1 2 377.304 2.101 20 0 GEADLO COc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2CS(N)(=O)=O)c1 ZINC000931229805 654735189 /nfs/dbraw/zinc/73/51/89/654735189.db2.gz FSDNDEIDPICOGW-GFCCVEGCSA-N 1 2 377.304 2.101 20 0 GEADLO C[N@@H+](CC(=O)Nc1cccnn1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000931379485 654740258 /nfs/dbraw/zinc/74/02/58/654740258.db2.gz JOMXUHHAJOTJHY-ZDUSSCGKSA-N 1 2 385.251 2.094 20 0 GEADLO C[N@H+](CC(=O)Nc1cccnn1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000931379485 654740261 /nfs/dbraw/zinc/74/02/61/654740261.db2.gz JOMXUHHAJOTJHY-ZDUSSCGKSA-N 1 2 385.251 2.094 20 0 GEADLO Cc1csc([C@H](NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C(F)(F)F)n1 ZINC000931580160 654747747 /nfs/dbraw/zinc/74/77/47/654747747.db2.gz ZIXWJPRNVRWKIA-NEPJUHHUSA-N 1 2 380.436 2.417 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CCC(OC)(OC)[C@H](O)C2)cc1OC ZINC000931641452 654750252 /nfs/dbraw/zinc/75/02/52/654750252.db2.gz FVSLVBJDUNZXLI-OAHLLOKOSA-N 1 2 390.274 2.022 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CCC(OC)(OC)[C@H](O)C2)cc1OC ZINC000931641452 654750264 /nfs/dbraw/zinc/75/02/64/654750264.db2.gz FVSLVBJDUNZXLI-OAHLLOKOSA-N 1 2 390.274 2.022 20 0 GEADLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](CCn2cnc(Br)n2)CC1(C)C ZINC000931988463 654763282 /nfs/dbraw/zinc/76/32/82/654763282.db2.gz CVJNXRYVDVSXKP-NSHDSACASA-N 1 2 388.310 2.276 20 0 GEADLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](CCn2cnc(Br)n2)CC1(C)C ZINC000931988463 654763283 /nfs/dbraw/zinc/76/32/83/654763283.db2.gz CVJNXRYVDVSXKP-NSHDSACASA-N 1 2 388.310 2.276 20 0 GEADLO CCOc1ccc(Br)c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1F ZINC000932126294 654767619 /nfs/dbraw/zinc/76/76/19/654767619.db2.gz JFQNOSHNABKDBV-NSHDSACASA-N 1 2 389.265 2.126 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932199778 654769964 /nfs/dbraw/zinc/76/99/64/654769964.db2.gz AHTYQZKXBOEWCU-AWEZNQCLSA-N 1 2 388.555 2.154 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932199778 654769966 /nfs/dbraw/zinc/76/99/66/654769966.db2.gz AHTYQZKXBOEWCU-AWEZNQCLSA-N 1 2 388.555 2.154 20 0 GEADLO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(COC)o1 ZINC000932326602 654775432 /nfs/dbraw/zinc/77/54/32/654775432.db2.gz RXUTUSQGKKGAIM-GOEBONIOSA-N 1 2 377.374 2.384 20 0 GEADLO CCOP(=O)(OCC)[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccc(COC)o1 ZINC000932326602 654775436 /nfs/dbraw/zinc/77/54/36/654775436.db2.gz RXUTUSQGKKGAIM-GOEBONIOSA-N 1 2 377.374 2.384 20 0 GEADLO O=C(C[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)Nc1cnccn1 ZINC000932815587 654791869 /nfs/dbraw/zinc/79/18/69/654791869.db2.gz PDQVHXOPSSVLFL-QGZVFWFLSA-N 1 2 391.269 2.161 20 0 GEADLO O=C(C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)Nc1cnccn1 ZINC000932815587 654791871 /nfs/dbraw/zinc/79/18/71/654791871.db2.gz PDQVHXOPSSVLFL-QGZVFWFLSA-N 1 2 391.269 2.161 20 0 GEADLO Cc1ccc(OCCC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c(Br)c1 ZINC000913446254 654792585 /nfs/dbraw/zinc/79/25/85/654792585.db2.gz XMGXWCVERVJMMJ-HNNXBMFYSA-N 1 2 393.285 2.423 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c1 ZINC000913453453 654792818 /nfs/dbraw/zinc/79/28/18/654792818.db2.gz NKEOEPLNKJHAHE-HNNXBMFYSA-N 1 2 378.274 2.025 20 0 GEADLO O=C(CCc1cccc(F)c1Br)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913452973 654792824 /nfs/dbraw/zinc/79/28/24/654792824.db2.gz HLWSEVNFFBSKJA-CQSZACIVSA-N 1 2 381.249 2.417 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCc4cc(Br)ccc43)CC[NH2+]2)cn1 ZINC000913457589 654793074 /nfs/dbraw/zinc/79/30/74/654793074.db2.gz UONNEZHFDQPEAB-IRXDYDNUSA-N 1 2 389.297 2.386 20 0 GEADLO O=C(c1nc(Br)sc1Cl)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913458238 654793363 /nfs/dbraw/zinc/79/33/63/654793363.db2.gz KCIODGMOJYEUAT-SSDOTTSWSA-N 1 2 376.667 2.069 20 0 GEADLO CO[C@H](C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)c1ccccc1Br ZINC000913458742 654793400 /nfs/dbraw/zinc/79/34/00/654793400.db2.gz UJNSGNHHVQBHKZ-GJZGRUSLSA-N 1 2 379.258 2.033 20 0 GEADLO O=C(Cc1noc2ccc(Br)cc12)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913458617 654793500 /nfs/dbraw/zinc/79/35/00/654793500.db2.gz RFFKDUOLPRBKSG-AWEZNQCLSA-N 1 2 390.241 2.029 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)Cc3c(F)ccc(Br)c3F)CC[NH2+]2)cn1 ZINC000913460836 654793594 /nfs/dbraw/zinc/79/35/94/654793594.db2.gz OFBOJPVYWUJXPR-CQSZACIVSA-N 1 2 399.239 2.176 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)C(F)(F)c3ccccc3Br)CC[NH2+]2)cn1 ZINC000913461728 654793823 /nfs/dbraw/zinc/79/38/23/654793823.db2.gz YINASYPXRFPMDD-CQSZACIVSA-N 1 2 399.239 2.448 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)C3(c4ccccc4Br)CC3)CC[NH2+]2)cn1 ZINC000913462602 654793956 /nfs/dbraw/zinc/79/39/56/654793956.db2.gz KZAVOTLQGAPJCX-MRXNPFEDSA-N 1 2 389.297 2.387 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)CC[NH2+]2)cn1 ZINC000913463500 654794098 /nfs/dbraw/zinc/79/40/98/654794098.db2.gz GHAYRCPLAGUTFL-HOTGVXAUSA-N 1 2 383.279 2.324 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3c(F)cc(Br)cc3F)CC[NH2+]2)cn1 ZINC000913469446 654794591 /nfs/dbraw/zinc/79/45/91/654794591.db2.gz ZTMAWCSOXAEMPQ-CYBMUJFWSA-N 1 2 385.212 2.248 20 0 GEADLO CO[C@H](C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1)c1ccc(Br)s1 ZINC000913476465 654794816 /nfs/dbraw/zinc/79/48/16/654794816.db2.gz YEKYGRMJSXINGS-FZMZJTMJSA-N 1 2 399.314 2.105 20 0 GEADLO COc1ncc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c(C)c1Br ZINC000932953327 654797131 /nfs/dbraw/zinc/79/71/31/654797131.db2.gz ULZPDXWELPREKR-JTQLQIEISA-N 1 2 380.246 2.494 20 0 GEADLO CCOc1ccc([C@@]2(C(=O)N3CC[N@H+](C)[C@H](CO)C3)CC2(Cl)Cl)cc1 ZINC000913555974 654797666 /nfs/dbraw/zinc/79/76/66/654797666.db2.gz OUIMTPHYNGWDCA-WMLDXEAASA-N 1 2 387.307 2.036 20 0 GEADLO CCOc1ccc([C@@]2(C(=O)N3CC[N@@H+](C)[C@H](CO)C3)CC2(Cl)Cl)cc1 ZINC000913555974 654797670 /nfs/dbraw/zinc/79/76/70/654797670.db2.gz OUIMTPHYNGWDCA-WMLDXEAASA-N 1 2 387.307 2.036 20 0 GEADLO O=S(=O)(c1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)cc1)C(F)F ZINC000933063326 654801288 /nfs/dbraw/zinc/80/12/88/654801288.db2.gz XVIZRXIQMVTMPA-CQSZACIVSA-N 1 2 375.437 2.189 20 0 GEADLO CCn1c[nH+]c2c1CCN(CCS(=O)(=O)c1cccc(Br)c1)C2 ZINC000933259170 654805660 /nfs/dbraw/zinc/80/56/60/654805660.db2.gz BAXDBGIJEFHMIB-UHFFFAOYSA-N 1 2 398.326 2.498 20 0 GEADLO CCn1c[nH+]c2c1CCN([C@@H](C(N)=O)c1ccc(Br)cc1F)C2 ZINC000933256891 654805674 /nfs/dbraw/zinc/80/56/74/654805674.db2.gz INDOOPNNKUBSMT-OAHLLOKOSA-N 1 2 381.249 2.389 20 0 GEADLO C/C(=C/C(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)C[NH+]1CCOCC1 ZINC000913768233 654808667 /nfs/dbraw/zinc/80/86/67/654808667.db2.gz YVAPXYAMOJLPPR-CDNZCKSZSA-N 1 2 391.309 2.482 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccnn1C1CCC1)[N@@H+]1CCc2sccc2C1 ZINC000913906211 654815379 /nfs/dbraw/zinc/81/53/79/654815379.db2.gz KPHDEJLFGDEBGQ-CYBMUJFWSA-N 1 2 380.539 2.395 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccnn1C1CCC1)[N@H+]1CCc2sccc2C1 ZINC000913906211 654815380 /nfs/dbraw/zinc/81/53/80/654815380.db2.gz KPHDEJLFGDEBGQ-CYBMUJFWSA-N 1 2 380.539 2.395 20 0 GEADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933701211 654820788 /nfs/dbraw/zinc/82/07/88/654820788.db2.gz WHPOIIMXISETFX-VWYCJHECSA-N 1 2 394.324 2.177 20 0 GEADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933701211 654820791 /nfs/dbraw/zinc/82/07/91/654820791.db2.gz WHPOIIMXISETFX-VWYCJHECSA-N 1 2 394.324 2.177 20 0 GEADLO COCCOC[C@@H](O)C[N@@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC000933941931 654831555 /nfs/dbraw/zinc/83/15/55/654831555.db2.gz MAOURIJZSFZVHH-ZDUSSCGKSA-N 1 2 378.694 2.485 20 0 GEADLO COCCOC[C@@H](O)C[N@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC000933941931 654831557 /nfs/dbraw/zinc/83/15/57/654831557.db2.gz MAOURIJZSFZVHH-ZDUSSCGKSA-N 1 2 378.694 2.485 20 0 GEADLO CS(=O)(=O)N1CC(C[N@@H+]2CCc3cc(Cl)cc(Br)c3C2)C1 ZINC000933943293 654831891 /nfs/dbraw/zinc/83/18/91/654831891.db2.gz YGLGRQULMOBHRO-UHFFFAOYSA-N 1 2 393.734 2.352 20 0 GEADLO CS(=O)(=O)N1CC(C[N@H+]2CCc3cc(Cl)cc(Br)c3C2)C1 ZINC000933943293 654831894 /nfs/dbraw/zinc/83/18/94/654831894.db2.gz YGLGRQULMOBHRO-UHFFFAOYSA-N 1 2 393.734 2.352 20 0 GEADLO O[C@@H](C[N@@H+]1CCc2cc(Cl)cc(Br)c2C1)C[C@]1(O)CCOC1 ZINC000933943394 654831896 /nfs/dbraw/zinc/83/18/96/654831896.db2.gz ZDNPIDCPPGGLNW-CZUORRHYSA-N 1 2 390.705 2.363 20 0 GEADLO O[C@@H](C[N@H+]1CCc2cc(Cl)cc(Br)c2C1)C[C@]1(O)CCOC1 ZINC000933943394 654831897 /nfs/dbraw/zinc/83/18/97/654831897.db2.gz ZDNPIDCPPGGLNW-CZUORRHYSA-N 1 2 390.705 2.363 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934363619 654845715 /nfs/dbraw/zinc/84/57/15/654845715.db2.gz UGNYXCHRDRIBLC-NSHDSACASA-N 1 2 386.294 2.213 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2c(Br)cnn2C2CC2)[C@@H](C)CO1 ZINC000934368431 654846433 /nfs/dbraw/zinc/84/64/33/654846433.db2.gz FMVOULBLXGEXOB-WDEREUQCSA-N 1 2 386.294 2.211 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2c(Br)cnn2C2CC2)[C@@H](C)CO1 ZINC000934368431 654846434 /nfs/dbraw/zinc/84/64/34/654846434.db2.gz FMVOULBLXGEXOB-WDEREUQCSA-N 1 2 386.294 2.211 20 0 GEADLO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934578551 654853680 /nfs/dbraw/zinc/85/36/80/654853680.db2.gz FLEFRNAPLMNAFT-UHTWSYAYSA-N 1 2 382.657 2.247 20 0 GEADLO O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934578551 654853681 /nfs/dbraw/zinc/85/36/81/654853681.db2.gz FLEFRNAPLMNAFT-UHTWSYAYSA-N 1 2 382.657 2.247 20 0 GEADLO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1I ZINC000934828511 654862183 /nfs/dbraw/zinc/86/21/83/654862183.db2.gz AOSYQFJEZPUTJN-RISCZKNCSA-N 1 2 390.265 2.219 20 0 GEADLO CCCCNC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1I ZINC000934828508 654862197 /nfs/dbraw/zinc/86/21/97/654862197.db2.gz AOSYQFJEZPUTJN-FZMZJTMJSA-N 1 2 390.265 2.219 20 0 GEADLO O=C(Nc1ccc(Br)cc1OC(F)F)N1CC[NH+](CCO)CC1 ZINC000934750847 654857854 /nfs/dbraw/zinc/85/78/54/654857854.db2.gz ALVCRSAWHVHENA-UHFFFAOYSA-N 1 2 394.216 2.192 20 0 GEADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1I ZINC000934829357 654862842 /nfs/dbraw/zinc/86/28/42/654862842.db2.gz MTAQUOPEAWLKAL-WDMOLILDSA-N 1 2 390.265 2.217 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000915340412 654869023 /nfs/dbraw/zinc/86/90/23/654869023.db2.gz IEKJWFITAWFMSJ-GFCCVEGCSA-N 1 2 385.295 2.390 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)C3(n4cccn4)CC3)[nH+]c12 ZINC000935370750 654890190 /nfs/dbraw/zinc/89/01/90/654890190.db2.gz VYGZUDXEWAWDIW-UHFFFAOYSA-N 1 2 388.269 2.450 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(Br)cn3ncnc23)C1 ZINC000935680993 654910288 /nfs/dbraw/zinc/91/02/88/654910288.db2.gz AKWNEPWRQZUPIQ-LLVKDONJSA-N 1 2 389.257 2.245 20 0 GEADLO O=C(C/C=C\c1ccc(Br)cc1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000935843171 654921070 /nfs/dbraw/zinc/92/10/70/654921070.db2.gz OFXFELXFIRKMRV-YKUAXSNGSA-N 1 2 378.314 2.359 20 0 GEADLO O=C(C/C=C\c1ccc(Br)cc1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000935843171 654921078 /nfs/dbraw/zinc/92/10/78/654921078.db2.gz OFXFELXFIRKMRV-YKUAXSNGSA-N 1 2 378.314 2.359 20 0 GEADLO CC1(C)C[N@H+](CC=C(Cl)Cl)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000974859441 654942709 /nfs/dbraw/zinc/94/27/09/654942709.db2.gz BQFQYFXFLYADSI-RMRHIDDWSA-N 1 2 377.312 2.184 20 0 GEADLO CC1(C)C[N@@H+](CC=C(Cl)Cl)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000974859441 654942711 /nfs/dbraw/zinc/94/27/11/654942711.db2.gz BQFQYFXFLYADSI-RMRHIDDWSA-N 1 2 377.312 2.184 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1csc(Cl)c1 ZINC000998634409 654952618 /nfs/dbraw/zinc/95/26/18/654952618.db2.gz QSPYLFQBXPQEMQ-XBFCOCLRSA-N 1 2 378.885 2.239 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4cc(F)ccc4n3)CC2)C1=O ZINC001164634704 719272856 /nfs/dbraw/zinc/27/28/56/719272856.db2.gz LZQZADDJRFXXKJ-UHFFFAOYSA-N 1 2 386.471 2.133 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4cc(F)ccc4n3)CC2)C1=O ZINC001164634704 719272858 /nfs/dbraw/zinc/27/28/58/719272858.db2.gz LZQZADDJRFXXKJ-UHFFFAOYSA-N 1 2 386.471 2.133 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(C)C)nc(C)n1 ZINC001164699868 719841309 /nfs/dbraw/zinc/84/13/09/719841309.db2.gz IOBFFNCUFQTCQK-JXFKEZNVSA-N 1 2 376.501 2.141 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ccoc21 ZINC001164698077 719843210 /nfs/dbraw/zinc/84/32/10/719843210.db2.gz FCNSISCFWAXRQY-KZULUSFZSA-N 1 2 394.859 2.109 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc2cccc(C)c2n1 ZINC001164698741 719851146 /nfs/dbraw/zinc/85/11/46/719851146.db2.gz DJWQEIOLRSCUSI-IIBYNOLFSA-N 1 2 384.480 2.171 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(-c2ccccc2)cn1 ZINC001164707869 719867835 /nfs/dbraw/zinc/86/78/35/719867835.db2.gz WPIDYEHEGIJHKK-PGRDOPGGSA-N 1 2 396.491 2.376 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(C(C)C)n1 ZINC001164704413 719868036 /nfs/dbraw/zinc/86/80/36/719868036.db2.gz LVQWOODTAOUXKU-OXQOHEQNSA-N 1 2 376.501 2.141 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(C)(C)C)nn1 ZINC001164708175 719869323 /nfs/dbraw/zinc/86/93/23/719869323.db2.gz XXWQLGSILDQYOG-MGPUTAFESA-N 1 2 376.501 2.007 20 0 GEADLO COC(=O)c1cnc(Cl)cc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008445 721694610 /nfs/dbraw/zinc/69/46/10/721694610.db2.gz JKWXQMDUROUAFJ-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO COC(=O)c1cnc(Cl)cc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008445 721694612 /nfs/dbraw/zinc/69/46/12/721694612.db2.gz JKWXQMDUROUAFJ-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO CSc1nc(Cl)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165011264 721698603 /nfs/dbraw/zinc/69/86/03/721698603.db2.gz POXGDZTYRWUDSC-UHFFFAOYSA-N 1 2 382.925 2.089 20 0 GEADLO CSc1nc(Cl)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165011264 721698605 /nfs/dbraw/zinc/69/86/05/721698605.db2.gz POXGDZTYRWUDSC-UHFFFAOYSA-N 1 2 382.925 2.089 20 0 GEADLO CCOC(=O)/C=C\c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165008518 721708888 /nfs/dbraw/zinc/70/88/88/721708888.db2.gz GBLWKZGSZHQUNO-NTMALXAHSA-N 1 2 398.511 2.500 20 0 GEADLO CCOC(=O)/C=C\c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165008518 721708893 /nfs/dbraw/zinc/70/88/93/721708893.db2.gz GBLWKZGSZHQUNO-NTMALXAHSA-N 1 2 398.511 2.500 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(C(N)=O)cc3ccccc31)C2 ZINC001165008917 721715286 /nfs/dbraw/zinc/71/52/86/721715286.db2.gz LBDYGEWNZDFGRI-UHFFFAOYSA-N 1 2 393.495 2.176 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(C(N)=O)cc3ccccc31)C2 ZINC001165008917 721715294 /nfs/dbraw/zinc/71/52/94/721715294.db2.gz LBDYGEWNZDFGRI-UHFFFAOYSA-N 1 2 393.495 2.176 20 0 GEADLO CC(C)c1cncnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914486 721782366 /nfs/dbraw/zinc/78/23/66/721782366.db2.gz DNIYAHJWCNXWGD-NRFANRHFSA-N 1 2 383.496 2.103 20 0 GEADLO CC(C)c1cncnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914486 721782367 /nfs/dbraw/zinc/78/23/67/721782367.db2.gz DNIYAHJWCNXWGD-NRFANRHFSA-N 1 2 383.496 2.103 20 0 GEADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001165040174 721915957 /nfs/dbraw/zinc/91/59/57/721915957.db2.gz ZDXCRWYCXZJZAY-ZDUSSCGKSA-N 1 2 389.830 2.368 20 0 GEADLO CSc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164946905 721975566 /nfs/dbraw/zinc/97/55/66/721975566.db2.gz MAABPGUXRHNQBM-UHFFFAOYSA-N 1 2 383.521 2.170 20 0 GEADLO CSc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164946905 721975570 /nfs/dbraw/zinc/97/55/70/721975570.db2.gz MAABPGUXRHNQBM-UHFFFAOYSA-N 1 2 383.521 2.170 20 0 GEADLO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000014101327 210103481 /nfs/dbraw/zinc/10/34/81/210103481.db2.gz IANQAKIPLFMYAM-UHFFFAOYSA-N 1 2 379.482 2.197 20 0 GEADLO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000014101327 210103487 /nfs/dbraw/zinc/10/34/87/210103487.db2.gz IANQAKIPLFMYAM-UHFFFAOYSA-N 1 2 379.482 2.197 20 0 GEADLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)NC(=O)NCc1cccs1 ZINC000151551459 531510557 /nfs/dbraw/zinc/51/05/57/531510557.db2.gz YMYGKJHPJBNANQ-UHFFFAOYSA-N 1 2 399.314 2.307 20 0 GEADLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)NC(=O)NCc1cccs1 ZINC000151551459 531510565 /nfs/dbraw/zinc/51/05/65/531510565.db2.gz YMYGKJHPJBNANQ-UHFFFAOYSA-N 1 2 399.314 2.307 20 0 GEADLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000151481411 531503919 /nfs/dbraw/zinc/50/39/19/531503919.db2.gz QJCAJNZULIWPPH-JKSUJKDBSA-N 1 2 384.318 2.389 20 0 GEADLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000151481411 531503925 /nfs/dbraw/zinc/50/39/25/531503925.db2.gz QJCAJNZULIWPPH-JKSUJKDBSA-N 1 2 384.318 2.389 20 0 GEADLO C[C@@H]1C[NH+](CCCCNS(=O)(=O)c2c(F)cc(F)cc2F)C[C@@H](C)O1 ZINC000151790340 531519817 /nfs/dbraw/zinc/51/98/17/531519817.db2.gz NQCBXKGVBWAULR-VXGBXAGGSA-N 1 2 380.432 2.272 20 0 GEADLO CC(C)n1cnc(S(=O)(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000152042258 531528816 /nfs/dbraw/zinc/52/88/16/531528816.db2.gz CJAQRUVGGTYNQQ-UHFFFAOYSA-N 1 2 398.286 2.353 20 0 GEADLO COCC[N@H+](Cc1cccc(Br)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000152645196 531566215 /nfs/dbraw/zinc/56/62/15/531566215.db2.gz AOJOBMHYVPPMLX-CQSZACIVSA-N 1 2 376.316 2.393 20 0 GEADLO COCC[N@@H+](Cc1cccc(Br)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000152645196 531566227 /nfs/dbraw/zinc/56/62/27/531566227.db2.gz AOJOBMHYVPPMLX-CQSZACIVSA-N 1 2 376.316 2.393 20 0 GEADLO Cc1cc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)nc[nH+]1 ZINC000152833811 531574265 /nfs/dbraw/zinc/57/42/65/531574265.db2.gz VJGRIEGOXOUTTQ-UHFFFAOYSA-N 1 2 390.285 2.308 20 0 GEADLO CCCCNC(=O)C[NH+]1CCN(Cc2cc(Br)ccc2OC)CC1 ZINC000023288475 531596403 /nfs/dbraw/zinc/59/64/03/531596403.db2.gz SUHZJXVETKXQEU-UHFFFAOYSA-N 1 2 398.345 2.492 20 0 GEADLO Brc1cc2c(cc1C[NH+]1CCN(c3cnccn3)CC1)OCCO2 ZINC000027631748 531624927 /nfs/dbraw/zinc/62/49/27/531624927.db2.gz GOYCUBPHKHNKSP-UHFFFAOYSA-N 1 2 391.269 2.333 20 0 GEADLO COc1ccc(C(=O)NC(=O)C[N@H+](C)Cc2ccc(Br)o2)cc1 ZINC000030215704 531633939 /nfs/dbraw/zinc/63/39/39/531633939.db2.gz MMGQYBLFQFKGIH-UHFFFAOYSA-N 1 2 381.226 2.439 20 0 GEADLO COc1ccc(C(=O)NC(=O)C[N@@H+](C)Cc2ccc(Br)o2)cc1 ZINC000030215704 531633945 /nfs/dbraw/zinc/63/39/45/531633945.db2.gz MMGQYBLFQFKGIH-UHFFFAOYSA-N 1 2 381.226 2.439 20 0 GEADLO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000155024017 531649451 /nfs/dbraw/zinc/64/94/51/531649451.db2.gz XKLZNMTYYUYXNW-UHFFFAOYSA-N 1 2 386.677 2.348 20 0 GEADLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc(Br)s1 ZINC000032437981 531652375 /nfs/dbraw/zinc/65/23/75/531652375.db2.gz TZDOSKZXMVSNGF-UHFFFAOYSA-N 1 2 376.301 2.450 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000041739481 531667091 /nfs/dbraw/zinc/66/70/91/531667091.db2.gz RGFWOLFMBRENCW-SECBINFHSA-N 1 2 394.686 2.422 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2nc(C(F)(F)F)cs2)CC1 ZINC000155436686 531684513 /nfs/dbraw/zinc/68/45/13/531684513.db2.gz OTERSJIFXSYPHB-GFCCVEGCSA-N 1 2 376.448 2.290 20 0 GEADLO O=C(NCCc1ccc(Cl)s1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000047070476 531711853 /nfs/dbraw/zinc/71/18/53/531711853.db2.gz WKISOVPBJDFWIA-INIZCTEOSA-N 1 2 389.974 2.451 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000156291564 531727967 /nfs/dbraw/zinc/72/79/67/531727967.db2.gz QTRAVFWWGVTBQM-ZANVPECISA-N 1 2 397.722 2.100 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156291564 531727975 /nfs/dbraw/zinc/72/79/75/531727975.db2.gz QTRAVFWWGVTBQM-ZANVPECISA-N 1 2 397.722 2.100 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(C)nn(Cc3ccccc3)c2Cl)C1 ZINC000156084451 531712551 /nfs/dbraw/zinc/71/25/51/531712551.db2.gz DHEBJUKUCBEJLW-OAHLLOKOSA-N 1 2 382.917 2.017 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2Cl)C1 ZINC000156084451 531712563 /nfs/dbraw/zinc/71/25/63/531712563.db2.gz DHEBJUKUCBEJLW-OAHLLOKOSA-N 1 2 382.917 2.017 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000049232587 531734162 /nfs/dbraw/zinc/73/41/62/531734162.db2.gz DIAUEUWRPBTTHP-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000157209488 531734597 /nfs/dbraw/zinc/73/45/97/531734597.db2.gz ZDWYNSWRDMQXQJ-HEHGZKQESA-N 1 2 385.302 2.098 20 0 GEADLO C[C@H](O)C[C@@H]1COCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000157209488 531734606 /nfs/dbraw/zinc/73/46/06/531734606.db2.gz ZDWYNSWRDMQXQJ-HEHGZKQESA-N 1 2 385.302 2.098 20 0 GEADLO COc1ccccc1[C@@H](NC(=O)CSc1nncs1)c1[nH+]ccn1C ZINC000051031064 531737435 /nfs/dbraw/zinc/73/74/35/531737435.db2.gz YWRVNAFOGPWFQV-CQSZACIVSA-N 1 2 375.479 2.278 20 0 GEADLO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(Br)cc1)C(=O)N1CCCCC1 ZINC000051453485 531741959 /nfs/dbraw/zinc/74/19/59/531741959.db2.gz APWGSQFRDJKKPP-AWEZNQCLSA-N 1 2 396.329 2.398 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1)C(=O)N1CCCCC1 ZINC000051453485 531741968 /nfs/dbraw/zinc/74/19/68/531741968.db2.gz APWGSQFRDJKKPP-AWEZNQCLSA-N 1 2 396.329 2.398 20 0 GEADLO C[C@@H](O)C[C@H]1COCC[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000157494843 531744528 /nfs/dbraw/zinc/74/45/28/531744528.db2.gz LGINJQNRFZWXML-OCCSQVGLSA-N 1 2 375.296 2.424 20 0 GEADLO C[C@@H](O)C[C@H]1COCC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000157494843 531744538 /nfs/dbraw/zinc/74/45/38/531744538.db2.gz LGINJQNRFZWXML-OCCSQVGLSA-N 1 2 375.296 2.424 20 0 GEADLO Cc1cccc([C@H](CNC(=O)CSc2nncs2)[NH+]2CCOCC2)c1 ZINC000052877723 531753370 /nfs/dbraw/zinc/75/33/70/531753370.db2.gz VGNNKVFOWBFWGC-HNNXBMFYSA-N 1 2 378.523 2.128 20 0 GEADLO CS(=O)(=O)c1cc(Br)ccc1NC(=O)CCCn1cc[nH+]c1 ZINC000157892853 531758842 /nfs/dbraw/zinc/75/88/42/531758842.db2.gz NFIXRLONYLPTRG-UHFFFAOYSA-N 1 2 386.271 2.468 20 0 GEADLO Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)C(=O)NCC(F)(F)F)CC2)s1 ZINC000158048398 531761690 /nfs/dbraw/zinc/76/16/90/531761690.db2.gz MIHSBHGMRFRAHX-LLVKDONJSA-N 1 2 377.432 2.318 20 0 GEADLO O[C@H](CSc1nnc(NCc2ccc(F)cc2)s1)C[NH+]1CCOCC1 ZINC000052815377 531750311 /nfs/dbraw/zinc/75/03/11/531750311.db2.gz KEKFMMWDCYPKGV-AWEZNQCLSA-N 1 2 384.502 2.075 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)NCCc1cccc(Cl)c1Cl ZINC000054987853 531781585 /nfs/dbraw/zinc/78/15/85/531781585.db2.gz IQBJAFBOYGUNOS-OAHLLOKOSA-N 1 2 384.307 2.395 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1C(=O)NC1CC1)NCCc1cccc(Cl)c1Cl ZINC000054987853 531781597 /nfs/dbraw/zinc/78/15/97/531781597.db2.gz IQBJAFBOYGUNOS-OAHLLOKOSA-N 1 2 384.307 2.395 20 0 GEADLO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000158265482 531773406 /nfs/dbraw/zinc/77/34/06/531773406.db2.gz VWYJJGQGPZAFKD-PWSUYJOCSA-N 1 2 376.404 2.400 20 0 GEADLO CC(C)C[NH+]1CCN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000054506454 531780018 /nfs/dbraw/zinc/78/00/18/531780018.db2.gz HPDROUFCGCNHGQ-UHFFFAOYSA-N 1 2 387.933 2.097 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000055290692 531787504 /nfs/dbraw/zinc/78/75/04/531787504.db2.gz QNZKZAIWRGVEDK-BETUJISGSA-N 1 2 391.331 2.227 20 0 GEADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000055290692 531787513 /nfs/dbraw/zinc/78/75/13/531787513.db2.gz QNZKZAIWRGVEDK-BETUJISGSA-N 1 2 391.331 2.227 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Br)ccc2Br)C1 ZINC000160602662 531812978 /nfs/dbraw/zinc/81/29/78/531812978.db2.gz LADFCUVYFCLFEB-JTQLQIEISA-N 1 2 392.091 2.272 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Br)ccc2Br)C1 ZINC000160602662 531812983 /nfs/dbraw/zinc/81/29/83/531812983.db2.gz LADFCUVYFCLFEB-JTQLQIEISA-N 1 2 392.091 2.272 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)cc1F ZINC000057018945 531817274 /nfs/dbraw/zinc/81/72/74/531817274.db2.gz IKRJJYBVOIRFAP-UHFFFAOYSA-N 1 2 384.498 2.445 20 0 GEADLO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCN(CC(F)F)CC1 ZINC000057914809 531824118 /nfs/dbraw/zinc/82/41/18/531824118.db2.gz HAUDFYMEKHWLGM-ZDUSSCGKSA-N 1 2 379.245 2.072 20 0 GEADLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000057593516 531819869 /nfs/dbraw/zinc/81/98/69/531819869.db2.gz GLEPBVBINOOAKU-UHFFFAOYSA-N 1 2 389.308 2.233 20 0 GEADLO CN(C)C(=O)C1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000058773351 531837002 /nfs/dbraw/zinc/83/70/02/531837002.db2.gz SQMHYSRGZANIFQ-UHFFFAOYSA-N 1 2 386.265 2.327 20 0 GEADLO CC(=O)N[C@@H](CC(=O)N(C)Cc1[nH+]ccn1C)c1ccc(Br)cc1 ZINC000061513217 531852549 /nfs/dbraw/zinc/85/25/49/531852549.db2.gz FAQSBAVIWAPRGE-HNNXBMFYSA-N 1 2 393.285 2.409 20 0 GEADLO COc1cccc(Nc2nnc(SC[C@@H](O)C[NH+]3CCOCC3)s2)c1 ZINC000061739552 531855151 /nfs/dbraw/zinc/85/51/51/531855151.db2.gz KXPMMCCBFFSANJ-ZDUSSCGKSA-N 1 2 382.511 2.076 20 0 GEADLO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000063759317 531861536 /nfs/dbraw/zinc/86/15/36/531861536.db2.gz YPNLJJXCIARDHO-LLVKDONJSA-N 1 2 390.336 2.494 20 0 GEADLO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000063759317 531861547 /nfs/dbraw/zinc/86/15/47/531861547.db2.gz YPNLJJXCIARDHO-LLVKDONJSA-N 1 2 390.336 2.494 20 0 GEADLO NC(=O)C1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000067374552 531883205 /nfs/dbraw/zinc/88/32/05/531883205.db2.gz RORQXQUTDDNFHQ-UHFFFAOYSA-N 1 2 379.258 2.120 20 0 GEADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000067403507 531884023 /nfs/dbraw/zinc/88/40/23/531884023.db2.gz YVDYVCHDLDHFRA-CQSZACIVSA-N 1 2 386.323 2.358 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000067984489 531892708 /nfs/dbraw/zinc/89/27/08/531892708.db2.gz CWZPKKDDHNJEOA-SNVBAGLBSA-N 1 2 381.230 2.262 20 0 GEADLO O=C(NCCCOCC(F)(F)F)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171161358 531896213 /nfs/dbraw/zinc/89/62/13/531896213.db2.gz WZFWCBYHSVBFCV-UHFFFAOYSA-N 1 2 380.436 2.329 20 0 GEADLO O=C(NCCCOCC(F)(F)F)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171161358 531896219 /nfs/dbraw/zinc/89/62/19/531896219.db2.gz WZFWCBYHSVBFCV-UHFFFAOYSA-N 1 2 380.436 2.329 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000068104860 531898173 /nfs/dbraw/zinc/89/81/73/531898173.db2.gz LVUCMIXFZANFMX-CQSZACIVSA-N 1 2 383.945 2.491 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000068104860 531898177 /nfs/dbraw/zinc/89/81/77/531898177.db2.gz LVUCMIXFZANFMX-CQSZACIVSA-N 1 2 383.945 2.491 20 0 GEADLO COCCS(=O)(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000170663179 531888142 /nfs/dbraw/zinc/88/81/42/531888142.db2.gz RDISGPLHECBKTE-QGZVFWFLSA-N 1 2 380.535 2.413 20 0 GEADLO COCCS(=O)(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000170663179 531888156 /nfs/dbraw/zinc/88/81/56/531888156.db2.gz RDISGPLHECBKTE-QGZVFWFLSA-N 1 2 380.535 2.413 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)COc1ccc(Br)cc1Cl ZINC000171418388 531905827 /nfs/dbraw/zinc/90/58/27/531905827.db2.gz OCGIRJMZSYEGAH-UHFFFAOYSA-N 1 2 391.693 2.272 20 0 GEADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCN1C(=O)CNC1=O ZINC000069010127 531909599 /nfs/dbraw/zinc/90/95/99/531909599.db2.gz UMIZRFGQKXTMKF-CQSZACIVSA-N 1 2 388.251 2.081 20 0 GEADLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCN1C(=O)CNC1=O ZINC000069010127 531909605 /nfs/dbraw/zinc/90/96/05/531909605.db2.gz UMIZRFGQKXTMKF-CQSZACIVSA-N 1 2 388.251 2.081 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(CC(=O)NCCOC)CC1 ZINC000171678160 531911894 /nfs/dbraw/zinc/91/18/94/531911894.db2.gz GHQDTEPNQAMTDA-QGZVFWFLSA-N 1 2 398.345 2.280 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1ccsc1 ZINC000069924324 531913386 /nfs/dbraw/zinc/91/33/86/531913386.db2.gz NEAALMKWJKQIQI-HIFRSBDPSA-N 1 2 375.560 2.206 20 0 GEADLO CCCCCS(=O)(=O)CC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000076131829 531917174 /nfs/dbraw/zinc/91/71/74/531917174.db2.gz NLURPGHLOQZCTH-UHFFFAOYSA-N 1 2 376.588 2.069 20 0 GEADLO NC(=O)[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Br)cc1 ZINC000171758842 531914969 /nfs/dbraw/zinc/91/49/69/531914969.db2.gz UOCCVAUYTPIOKO-WMLDXEAASA-N 1 2 388.265 2.371 20 0 GEADLO O=C(NCCCC[NH+]1CCOCC1)c1n[nH]c2ccc(Br)cc21 ZINC000171772774 531916620 /nfs/dbraw/zinc/91/66/20/531916620.db2.gz WOJRBUVJRDIJMV-UHFFFAOYSA-N 1 2 381.274 2.168 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1Cl ZINC000105739600 531940798 /nfs/dbraw/zinc/94/07/98/531940798.db2.gz OQAAGVYALQKAKE-RYUDHWBXSA-N 1 2 388.295 2.466 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)CS(C)(=O)=O)c1ccccc1Cl ZINC000172238090 531941923 /nfs/dbraw/zinc/94/19/23/531941923.db2.gz DGOSEZLTKGTSIO-CZUORRHYSA-N 1 2 389.949 2.455 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000109198354 531942459 /nfs/dbraw/zinc/94/24/59/531942459.db2.gz AYXUWJAHTOXCMC-CYBMUJFWSA-N 1 2 387.933 2.331 20 0 GEADLO Cn1cc(C(=O)NCC2CC[NH+](Cc3cncc(Br)c3)CC2)cn1 ZINC000172535279 531957932 /nfs/dbraw/zinc/95/79/32/531957932.db2.gz SRTLSLAHDPKQSN-UHFFFAOYSA-N 1 2 392.301 2.220 20 0 GEADLO COC[C@H](C)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000117921423 531962507 /nfs/dbraw/zinc/96/25/07/531962507.db2.gz CHWLBZROSOEBRW-SWLSCSKDSA-N 1 2 378.897 2.398 20 0 GEADLO COC[C@H](C)S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000117921423 531962512 /nfs/dbraw/zinc/96/25/12/531962512.db2.gz CHWLBZROSOEBRW-SWLSCSKDSA-N 1 2 378.897 2.398 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172754670 531967388 /nfs/dbraw/zinc/96/73/88/531967388.db2.gz TZGSMVNUSSAOIZ-HIFRSBDPSA-N 1 2 383.286 2.150 20 0 GEADLO Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc[nH+]1 ZINC000120345117 531982130 /nfs/dbraw/zinc/98/21/30/531982130.db2.gz ZMIOQVUSRFSOSM-UHFFFAOYSA-N 1 2 398.282 2.412 20 0 GEADLO CCN(CC)c1ccc(CNC(=O)c2c[nH]c(=O)c(Br)c2)c[nH+]1 ZINC000173115558 531988700 /nfs/dbraw/zinc/98/87/00/531988700.db2.gz PUXRBHQPBSTXBH-UHFFFAOYSA-N 1 2 379.258 2.309 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1c[nH]c(=O)c(Br)c1 ZINC000173128461 531989523 /nfs/dbraw/zinc/98/95/23/531989523.db2.gz UXRRUDZMLUWTQM-UHFFFAOYSA-N 1 2 391.269 2.453 20 0 GEADLO CN1CCO[C@@H]2C[N@H+](Cc3nnc(-c4ccccc4Br)o3)C[C@@H]21 ZINC000121047711 532008629 /nfs/dbraw/zinc/00/86/29/532008629.db2.gz SDWJNLIULLVQTK-UONOGXRCSA-N 1 2 379.258 2.014 20 0 GEADLO CN1CCO[C@@H]2C[N@@H+](Cc3nnc(-c4ccccc4Br)o3)C[C@@H]21 ZINC000121047711 532008641 /nfs/dbraw/zinc/00/86/41/532008641.db2.gz SDWJNLIULLVQTK-UONOGXRCSA-N 1 2 379.258 2.014 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(Cc3nnc(-c4ccccc4Br)o3)C[C@@H]21 ZINC000121047711 532008645 /nfs/dbraw/zinc/00/86/45/532008645.db2.gz SDWJNLIULLVQTK-UONOGXRCSA-N 1 2 379.258 2.014 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(Cc3nnc(-c4ccccc4Br)o3)C[C@@H]21 ZINC000121047711 532008650 /nfs/dbraw/zinc/00/86/50/532008650.db2.gz SDWJNLIULLVQTK-UONOGXRCSA-N 1 2 379.258 2.014 20 0 GEADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2sccc2Br)C[C@@H](C)O1 ZINC000121181199 532016749 /nfs/dbraw/zinc/01/67/49/532016749.db2.gz XFKQXLOWHZDEBU-GHMZBOCLSA-N 1 2 397.360 2.288 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173539519 532018399 /nfs/dbraw/zinc/01/83/99/532018399.db2.gz XUELIHVHYCJICX-GFCCVEGCSA-N 1 2 379.309 2.336 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000121398129 532027158 /nfs/dbraw/zinc/02/71/58/532027158.db2.gz HXDWNPLGZDEZEV-CYBMUJFWSA-N 1 2 381.263 2.439 20 0 GEADLO CCc1ccc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)s1 ZINC000121371581 532027436 /nfs/dbraw/zinc/02/74/36/532027436.db2.gz IXUJOFWOCIFPLD-HZPDHXFCSA-N 1 2 380.535 2.224 20 0 GEADLO CCc1ccc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)s1 ZINC000121371581 532027444 /nfs/dbraw/zinc/02/74/44/532027444.db2.gz IXUJOFWOCIFPLD-HZPDHXFCSA-N 1 2 380.535 2.224 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000121511346 532032609 /nfs/dbraw/zinc/03/26/09/532032609.db2.gz GDQVXHJLWNRPDL-CQSZACIVSA-N 1 2 384.523 2.197 20 0 GEADLO NC(=O)[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(Br)cc1F ZINC000173953930 532044176 /nfs/dbraw/zinc/04/41/76/532044176.db2.gz NIAQYRLHBIETJG-HNNXBMFYSA-N 1 2 386.265 2.107 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000121929068 532053775 /nfs/dbraw/zinc/05/37/75/532053775.db2.gz MUMDVZHYFDKDIZ-UHFFFAOYSA-N 1 2 384.318 2.141 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)cc(C)c2Br)CC1 ZINC000122304023 532065813 /nfs/dbraw/zinc/06/58/13/532065813.db2.gz UCKIBMWBHDJIOB-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)cc(C)c2Br)CC1 ZINC000122304023 532065818 /nfs/dbraw/zinc/06/58/18/532065818.db2.gz UCKIBMWBHDJIOB-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1sccc1Br ZINC000122473957 532072036 /nfs/dbraw/zinc/07/20/36/532072036.db2.gz GCDOVCAAOMQOBC-GHMZBOCLSA-N 1 2 395.344 2.042 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1sccc1Br ZINC000122473957 532072040 /nfs/dbraw/zinc/07/20/40/532072040.db2.gz GCDOVCAAOMQOBC-GHMZBOCLSA-N 1 2 395.344 2.042 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174926652 532084379 /nfs/dbraw/zinc/08/43/79/532084379.db2.gz GDSPLSOBWALZBD-UHFFFAOYSA-N 1 2 392.301 2.252 20 0 GEADLO Cc1csc(N2CC[NH+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC2)n1 ZINC000123268542 532096689 /nfs/dbraw/zinc/09/66/89/532096689.db2.gz VVCOCFUYODEMHM-CYBMUJFWSA-N 1 2 376.448 2.374 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000175301737 532098330 /nfs/dbraw/zinc/09/83/30/532098330.db2.gz DWYBMESEVWNVTC-GFCCVEGCSA-N 1 2 380.432 2.260 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+](C2CCOCC2)CC1 ZINC000175465058 532104466 /nfs/dbraw/zinc/10/44/66/532104466.db2.gz NIVRUEWTWFPLQI-UHFFFAOYSA-N 1 2 379.309 2.479 20 0 GEADLO CSC1(CNC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)CCOCC1 ZINC000176001913 532122294 /nfs/dbraw/zinc/12/22/94/532122294.db2.gz HARVVHKFRDPXKR-UHFFFAOYSA-N 1 2 384.571 2.191 20 0 GEADLO O=C(Nc1cccc(Br)c1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000124564461 532124578 /nfs/dbraw/zinc/12/45/78/532124578.db2.gz AIAJHACVGFNIHS-AWEZNQCLSA-N 1 2 389.253 2.178 20 0 GEADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2cc(Br)cs2)C1 ZINC000124168207 532115654 /nfs/dbraw/zinc/11/56/54/532115654.db2.gz JAPKEJSUEHNREU-ZDUSSCGKSA-N 1 2 388.331 2.070 20 0 GEADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(Br)cs2)C1 ZINC000124168207 532115659 /nfs/dbraw/zinc/11/56/59/532115659.db2.gz JAPKEJSUEHNREU-ZDUSSCGKSA-N 1 2 388.331 2.070 20 0 GEADLO CC(C)(O)C[NH+]1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000176247298 532131777 /nfs/dbraw/zinc/13/17/77/532131777.db2.gz UOYNCCZVIVLSGA-UHFFFAOYSA-N 1 2 384.929 2.171 20 0 GEADLO CC(=O)[C@@H](NC(=O)C[N@H+](C)[C@@H](CO)c1cccc(Br)c1)C(C)C ZINC000125750726 532141664 /nfs/dbraw/zinc/14/16/64/532141664.db2.gz HILZEXZIMWXQKK-RDJZCZTQSA-N 1 2 385.302 2.144 20 0 GEADLO CC(=O)[C@@H](NC(=O)C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1)C(C)C ZINC000125750726 532141668 /nfs/dbraw/zinc/14/16/68/532141668.db2.gz HILZEXZIMWXQKK-RDJZCZTQSA-N 1 2 385.302 2.144 20 0 GEADLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(OC)c(Br)c2)CC1 ZINC000126465010 532149122 /nfs/dbraw/zinc/14/91/22/532149122.db2.gz VKWKVAOTUVOZEF-CQSZACIVSA-N 1 2 398.345 2.490 20 0 GEADLO CN(Cc1cc(Br)ccc1Cl)C[C@H](O)C[NH+]1CCOCC1 ZINC000177351563 532168948 /nfs/dbraw/zinc/16/89/48/532168948.db2.gz CWAPILIBBALGCV-AWEZNQCLSA-N 1 2 377.710 2.227 20 0 GEADLO C[C@H](Cn1cc(Br)cn1)[NH2+]c1ccc(N2CCNC(=O)C2)cc1 ZINC000129572310 532180646 /nfs/dbraw/zinc/18/06/46/532180646.db2.gz ABJYQYKSRBCAPC-GFCCVEGCSA-N 1 2 378.274 2.082 20 0 GEADLO C[C@H](C[NH2+][C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000129796726 532184922 /nfs/dbraw/zinc/18/49/22/532184922.db2.gz GFBYGEFXFKNJRR-MFKMUULPSA-N 1 2 376.404 2.183 20 0 GEADLO O=C(Nc1cccc(Br)c1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000177434944 532171922 /nfs/dbraw/zinc/17/19/22/532171922.db2.gz ZVLGNFYLSHHRRC-UHFFFAOYSA-N 1 2 377.242 2.448 20 0 GEADLO CC(C)([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)c1nccs1 ZINC000129280541 532176108 /nfs/dbraw/zinc/17/61/08/532176108.db2.gz WRTLFASKMIJKMS-UHFFFAOYSA-N 1 2 377.861 2.236 20 0 GEADLO Cn1cc(Br)cc(NC(=O)NCc2ccn3cc[nH+]c3c2)c1=O ZINC000178219255 532197138 /nfs/dbraw/zinc/19/71/38/532197138.db2.gz AKHJGXOBSSPKFU-UHFFFAOYSA-N 1 2 376.214 2.117 20 0 GEADLO Cn1cc(Br)cc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1=O ZINC000131477292 532197911 /nfs/dbraw/zinc/19/79/11/532197911.db2.gz YNJRLOWESRHMHA-CYBMUJFWSA-N 1 2 393.241 2.228 20 0 GEADLO O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N(CCO)CC[NH+]1CCOCC1 ZINC000130280703 532190800 /nfs/dbraw/zinc/19/08/00/532190800.db2.gz VZJIREDSPUJMBF-IAGOWNOFSA-N 1 2 387.307 2.250 20 0 GEADLO Cc1ccc(F)cc1C[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000131881167 532205865 /nfs/dbraw/zinc/20/58/65/532205865.db2.gz RSTSCHWYTKPPFX-UHFFFAOYSA-N 1 2 383.411 2.085 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)c3ccccn3)CC2)cs1 ZINC000131948550 532206965 /nfs/dbraw/zinc/20/69/65/532206965.db2.gz NXEGUSWUQNYBEB-UHFFFAOYSA-N 1 2 380.539 2.291 20 0 GEADLO Cc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c2cc(Br)ccc2n1 ZINC000178618183 532207315 /nfs/dbraw/zinc/20/73/15/532207315.db2.gz KZFBPBBSTUWTPH-CQSZACIVSA-N 1 2 389.297 2.035 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)CNC(=O)c3ccsc3)CC2)s1 ZINC000132081299 532208690 /nfs/dbraw/zinc/20/86/90/532208690.db2.gz POFAXQSRHWIFHE-UHFFFAOYSA-N 1 2 377.535 2.446 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000178804038 532212876 /nfs/dbraw/zinc/21/28/76/532212876.db2.gz PAUPKCHXRFLWCU-UHFFFAOYSA-N 1 2 380.432 2.083 20 0 GEADLO CCn1cc(S(=O)(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cn1 ZINC000132326826 532212970 /nfs/dbraw/zinc/21/29/70/532212970.db2.gz LXTUECRFQVNBGM-UHFFFAOYSA-N 1 2 380.539 2.295 20 0 GEADLO CCOC(=O)CCCC[NH+]1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000132626018 532219088 /nfs/dbraw/zinc/21/90/88/532219088.db2.gz IKOHEIKVDMJBQT-UHFFFAOYSA-N 1 2 388.555 2.405 20 0 GEADLO COC[C@](C)(CCO)[NH2+]Cc1nc(Cc2cccc(Br)c2)no1 ZINC000132558498 532217907 /nfs/dbraw/zinc/21/79/07/532217907.db2.gz ZCIZADHKJFKURS-INIZCTEOSA-N 1 2 384.274 2.300 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(F)c(Cl)c1)[NH+]1CCN(C)CC1 ZINC000178953059 532218426 /nfs/dbraw/zinc/21/84/26/532218426.db2.gz NHBMIHUGJNKDPK-QGZVFWFLSA-N 1 2 391.940 2.171 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000179448862 532231750 /nfs/dbraw/zinc/23/17/50/532231750.db2.gz ZQSABZUEGZJBQL-GFCCVEGCSA-N 1 2 382.507 2.202 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000179448862 532231753 /nfs/dbraw/zinc/23/17/53/532231753.db2.gz ZQSABZUEGZJBQL-GFCCVEGCSA-N 1 2 382.507 2.202 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCc1nnc(C2CCC2)n1C ZINC000132851410 532223129 /nfs/dbraw/zinc/22/31/29/532223129.db2.gz ULVSBHVQUYLYTQ-UHFFFAOYSA-N 1 2 377.250 2.134 20 0 GEADLO C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)C(=O)NCc1ccccc1 ZINC000179219364 532225676 /nfs/dbraw/zinc/22/56/76/532225676.db2.gz YDVOMFNIKNDHTJ-WBMJQRKESA-N 1 2 390.281 2.270 20 0 GEADLO COCCCNC(=O)C[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179769645 532243999 /nfs/dbraw/zinc/24/39/99/532243999.db2.gz CVOWUUMZHSNREP-UHFFFAOYSA-N 1 2 395.301 2.219 20 0 GEADLO COCCCNC(=O)C[N@@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179769645 532244003 /nfs/dbraw/zinc/24/40/03/532244003.db2.gz CVOWUUMZHSNREP-UHFFFAOYSA-N 1 2 395.301 2.219 20 0 GEADLO C[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000179881616 532248180 /nfs/dbraw/zinc/24/81/80/532248180.db2.gz NGTGYYYLQXHYIK-YPMHNXCESA-N 1 2 392.257 2.089 20 0 GEADLO C[C@H]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000179881630 532248198 /nfs/dbraw/zinc/24/81/98/532248198.db2.gz NGTGYYYLQXHYIK-AAEUAGOBSA-N 1 2 392.257 2.089 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000134303210 532254011 /nfs/dbraw/zinc/25/40/11/532254011.db2.gz DOZNPUJMNGXOOW-CYBMUJFWSA-N 1 2 379.295 2.490 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000134303210 532254014 /nfs/dbraw/zinc/25/40/14/532254014.db2.gz DOZNPUJMNGXOOW-CYBMUJFWSA-N 1 2 379.295 2.490 20 0 GEADLO COc1cccc(Cl)c1CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000134038694 532249011 /nfs/dbraw/zinc/24/90/11/532249011.db2.gz GWDNHMPOONRMKO-SFHVURJKSA-N 1 2 384.929 2.215 20 0 GEADLO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000179551204 532236103 /nfs/dbraw/zinc/23/61/03/532236103.db2.gz TYCRUARVRXRBNZ-GFCCVEGCSA-N 1 2 389.315 2.067 20 0 GEADLO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000179551204 532236106 /nfs/dbraw/zinc/23/61/06/532236106.db2.gz TYCRUARVRXRBNZ-GFCCVEGCSA-N 1 2 389.315 2.067 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000134303231 532253772 /nfs/dbraw/zinc/25/37/72/532253772.db2.gz DOZNPUJMNGXOOW-ZDUSSCGKSA-N 1 2 379.295 2.490 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000134303231 532253777 /nfs/dbraw/zinc/25/37/77/532253777.db2.gz DOZNPUJMNGXOOW-ZDUSSCGKSA-N 1 2 379.295 2.490 20 0 GEADLO CCC[N@H+](Cc1c(C)nn(C)c1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000179644050 532238878 /nfs/dbraw/zinc/23/88/78/532238878.db2.gz WKFKHTMACVDPAR-GFCCVEGCSA-N 1 2 383.436 2.069 20 0 GEADLO CCC[N@@H+](Cc1c(C)nn(C)c1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000179644050 532238883 /nfs/dbraw/zinc/23/88/83/532238883.db2.gz WKFKHTMACVDPAR-GFCCVEGCSA-N 1 2 383.436 2.069 20 0 GEADLO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ncc(Br)cc1Br ZINC000135303622 532270211 /nfs/dbraw/zinc/27/02/11/532270211.db2.gz IWPOAPSOQLWEIS-SSDOTTSWSA-N 1 2 386.109 2.129 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000134339455 532255139 /nfs/dbraw/zinc/25/51/39/532255139.db2.gz RRWDHTZVBVGXOY-ZDUSSCGKSA-N 1 2 379.295 2.490 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000134339455 532255142 /nfs/dbraw/zinc/25/51/42/532255142.db2.gz RRWDHTZVBVGXOY-ZDUSSCGKSA-N 1 2 379.295 2.490 20 0 GEADLO Cc1nc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)sc1Br ZINC000180111282 532258195 /nfs/dbraw/zinc/25/81/95/532258195.db2.gz YQTQJVVJAXIGAU-UHFFFAOYSA-N 1 2 379.305 2.121 20 0 GEADLO C[C@H](CNC(=O)CCc1cc(Br)ccc1F)[NH+]1CCN(C)CC1 ZINC000134658119 532260610 /nfs/dbraw/zinc/26/06/10/532260610.db2.gz BGOBRTVHTFHJEL-CYBMUJFWSA-N 1 2 386.309 2.273 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135612463 532276483 /nfs/dbraw/zinc/27/64/83/532276483.db2.gz VFCHAQWVURCEQG-UHFFFAOYSA-N 1 2 397.313 2.289 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000135612463 532276492 /nfs/dbraw/zinc/27/64/92/532276492.db2.gz VFCHAQWVURCEQG-UHFFFAOYSA-N 1 2 397.313 2.289 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135677009 532277873 /nfs/dbraw/zinc/27/78/73/532277873.db2.gz KBNCXZODPOLGHC-BBRMVZONSA-N 1 2 385.917 2.167 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135677009 532277877 /nfs/dbraw/zinc/27/78/77/532277877.db2.gz KBNCXZODPOLGHC-BBRMVZONSA-N 1 2 385.917 2.167 20 0 GEADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000135975865 532280985 /nfs/dbraw/zinc/28/09/85/532280985.db2.gz YIZGIAMAHFCZBO-LBPRGKRZSA-N 1 2 380.279 2.496 20 0 GEADLO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCn2c[nH+]cc2C1 ZINC000135998334 532281770 /nfs/dbraw/zinc/28/17/70/532281770.db2.gz LOBUMNXFIMDYBL-DGCLKSJQSA-N 1 2 384.263 2.308 20 0 GEADLO COc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)sc1Br ZINC000135983299 532282047 /nfs/dbraw/zinc/28/20/47/532282047.db2.gz BTWQZMGFLFAYNX-NXEZZACHSA-N 1 2 377.304 2.046 20 0 GEADLO COc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)sc1Br ZINC000135983299 532282050 /nfs/dbraw/zinc/28/20/50/532282050.db2.gz BTWQZMGFLFAYNX-NXEZZACHSA-N 1 2 377.304 2.046 20 0 GEADLO COCCCCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000136115692 532282910 /nfs/dbraw/zinc/28/29/10/532282910.db2.gz FJPVYELCQSBOCA-UHFFFAOYSA-N 1 2 376.469 2.275 20 0 GEADLO CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000136324953 532284101 /nfs/dbraw/zinc/28/41/01/532284101.db2.gz RVXMSYXTVTYRQN-BBRMVZONSA-N 1 2 396.329 2.427 20 0 GEADLO COCCCNC(=O)C[N@H+](C)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000180966129 532286875 /nfs/dbraw/zinc/28/68/75/532286875.db2.gz OWGKASLWBMILMZ-HNNXBMFYSA-N 1 2 388.295 2.183 20 0 GEADLO COCCCNC(=O)C[N@@H+](C)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000180966129 532286878 /nfs/dbraw/zinc/28/68/78/532286878.db2.gz OWGKASLWBMILMZ-HNNXBMFYSA-N 1 2 388.295 2.183 20 0 GEADLO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000135380147 532272655 /nfs/dbraw/zinc/27/26/55/532272655.db2.gz RUHYEPAIESSUFR-IAQYHMDHSA-N 1 2 399.285 2.022 20 0 GEADLO CSC[C@H]1CCC[N@@H+]1CC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C ZINC000135424788 532273239 /nfs/dbraw/zinc/27/32/39/532273239.db2.gz ZNEPNJZUMRSVHN-CVEARBPZSA-N 1 2 384.567 2.475 20 0 GEADLO CSC[C@H]1CCC[N@H+]1CC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C ZINC000135424788 532273241 /nfs/dbraw/zinc/27/32/41/532273241.db2.gz ZNEPNJZUMRSVHN-CVEARBPZSA-N 1 2 384.567 2.475 20 0 GEADLO O=C(CSC(F)(F)F)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000139871134 532293604 /nfs/dbraw/zinc/29/36/04/532293604.db2.gz JPHFZKXIQCPCTJ-UHFFFAOYSA-N 1 2 378.416 2.267 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000139839059 532294103 /nfs/dbraw/zinc/29/41/03/532294103.db2.gz BDYRYDCRLNQRJC-UHFFFAOYSA-N 1 2 379.309 2.479 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)c1ccc(C(F)(F)F)nc1 ZINC000181935881 532307805 /nfs/dbraw/zinc/30/78/05/532307805.db2.gz WMHFFUJWHCXNMJ-UHFFFAOYSA-N 1 2 391.440 2.499 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2sccc2C1)c1ccc(C(F)(F)F)nc1 ZINC000181935881 532307806 /nfs/dbraw/zinc/30/78/06/532307806.db2.gz WMHFFUJWHCXNMJ-UHFFFAOYSA-N 1 2 391.440 2.499 20 0 GEADLO NC(=O)N1CCC[N@H+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000182200364 532310132 /nfs/dbraw/zinc/31/01/32/532310132.db2.gz RHYKFPMLVPSZTO-UHFFFAOYSA-N 1 2 384.274 2.197 20 0 GEADLO NC(=O)N1CCC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000182200364 532310133 /nfs/dbraw/zinc/31/01/33/532310133.db2.gz RHYKFPMLVPSZTO-UHFFFAOYSA-N 1 2 384.274 2.197 20 0 GEADLO C[C@H](CN(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1nccs1 ZINC000182312909 532312087 /nfs/dbraw/zinc/31/20/87/532312087.db2.gz SSVSIVDABQNSLK-RHSMWYFYSA-N 1 2 384.571 2.096 20 0 GEADLO Cc1c([C@@H](C)[NH2+]Cc2nnnn2-c2ccccc2Br)cnn1C ZINC000183342130 532323709 /nfs/dbraw/zinc/32/37/09/532323709.db2.gz CSHCPKIMNQNYHQ-SNVBAGLBSA-N 1 2 376.262 2.318 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000185570147 532338078 /nfs/dbraw/zinc/33/80/78/532338078.db2.gz LXMNBNYOJHZIDC-UHFFFAOYSA-N 1 2 395.301 2.404 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2Cl)CC1 ZINC000185659483 532338275 /nfs/dbraw/zinc/33/82/75/532338275.db2.gz SIZUUVDCYXDRDL-UHFFFAOYSA-N 1 2 395.084 2.468 20 0 GEADLO CCCS(=O)(=O)CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000186121918 532339843 /nfs/dbraw/zinc/33/98/43/532339843.db2.gz BNEAAWOZPRNJES-CQSZACIVSA-N 1 2 380.432 2.249 20 0 GEADLO Cc1cc(Br)c2c(c1)CN(C(=O)NCC[NH+]1CCOCC1)CC2 ZINC000186102363 532339867 /nfs/dbraw/zinc/33/98/67/532339867.db2.gz QWXGSQOREWGOKH-UHFFFAOYSA-N 1 2 382.302 2.157 20 0 GEADLO COCCc1noc(C[N@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)n1 ZINC000187161456 532343337 /nfs/dbraw/zinc/34/33/37/532343337.db2.gz CCPUGPBKTGXWPS-ZDUSSCGKSA-N 1 2 388.237 2.326 20 0 GEADLO COCCc1noc(C[N@@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)n1 ZINC000187161456 532343338 /nfs/dbraw/zinc/34/33/38/532343338.db2.gz CCPUGPBKTGXWPS-ZDUSSCGKSA-N 1 2 388.237 2.326 20 0 GEADLO CCCN(C(=O)[C@@H](C)[NH2+]C(C)(C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000183955237 532330304 /nfs/dbraw/zinc/33/03/04/532330304.db2.gz FIOVZOIOWSQJSC-KGLIPLIRSA-N 1 2 387.571 2.090 20 0 GEADLO Cc1nc(N2CCN(C(=O)Nc3cncc(Br)c3)CC2)cc[nH+]1 ZINC000184108294 532330809 /nfs/dbraw/zinc/33/08/09/532330809.db2.gz OMEODWGKJJHYIU-UHFFFAOYSA-N 1 2 377.246 2.297 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CC1 ZINC000184375986 532332217 /nfs/dbraw/zinc/33/22/17/532332217.db2.gz XMHZJJOMOXRQLE-SIIHOXLZSA-N 1 2 379.551 2.407 20 0 GEADLO COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000184657555 532334099 /nfs/dbraw/zinc/33/40/99/532334099.db2.gz VVMWWDLMALAPAT-UHFFFAOYSA-N 1 2 396.285 2.011 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184836402 532334845 /nfs/dbraw/zinc/33/48/45/532334845.db2.gz LEJGMULEQOJXKU-RISCZKNCSA-N 1 2 380.432 2.105 20 0 GEADLO Cc1ccc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c(Br)n1 ZINC000184951137 532336260 /nfs/dbraw/zinc/33/62/60/532336260.db2.gz CGMMXPNPCOQOAF-UHFFFAOYSA-N 1 2 376.258 2.213 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)N3CCC[C@H]3C)CC2)cs1 ZINC000184983650 532336448 /nfs/dbraw/zinc/33/64/48/532336448.db2.gz WGHLYEHRDLNYQI-CQSZACIVSA-N 1 2 386.587 2.236 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000188318116 532347830 /nfs/dbraw/zinc/34/78/30/532347830.db2.gz RHMJXEYDYXQAAC-GFCCVEGCSA-N 1 2 388.917 2.008 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000188318116 532347831 /nfs/dbraw/zinc/34/78/31/532347831.db2.gz RHMJXEYDYXQAAC-GFCCVEGCSA-N 1 2 388.917 2.008 20 0 GEADLO CCC(=O)N1CSC[C@H]1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188772672 532349618 /nfs/dbraw/zinc/34/96/18/532349618.db2.gz PSFIPRYOSGKKGG-INIZCTEOSA-N 1 2 381.929 2.126 20 0 GEADLO CCC(=O)N1CSC[C@H]1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188772672 532349619 /nfs/dbraw/zinc/34/96/19/532349619.db2.gz PSFIPRYOSGKKGG-INIZCTEOSA-N 1 2 381.929 2.126 20 0 GEADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000189571685 532352716 /nfs/dbraw/zinc/35/27/16/532352716.db2.gz FLEOJWUIIAHSLG-DZGCQCFKSA-N 1 2 375.252 2.320 20 0 GEADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000189571685 532352717 /nfs/dbraw/zinc/35/27/17/532352717.db2.gz FLEOJWUIIAHSLG-DZGCQCFKSA-N 1 2 375.252 2.320 20 0 GEADLO CC(C)c1cnc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)s1 ZINC000190406936 532355867 /nfs/dbraw/zinc/35/58/67/532355867.db2.gz DESNUDZPFNFTAF-UHFFFAOYSA-N 1 2 378.523 2.441 20 0 GEADLO CC(C)c1cnc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)s1 ZINC000190406936 532355868 /nfs/dbraw/zinc/35/58/68/532355868.db2.gz DESNUDZPFNFTAF-UHFFFAOYSA-N 1 2 378.523 2.441 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000190431102 532355992 /nfs/dbraw/zinc/35/59/92/532355992.db2.gz MASUOUYTVYRCNQ-ZDUSSCGKSA-N 1 2 387.889 2.319 20 0 GEADLO CCN1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1=O ZINC000190527810 532356668 /nfs/dbraw/zinc/35/66/68/532356668.db2.gz XAGCMQVOXAROFE-MRXNPFEDSA-N 1 2 380.286 2.234 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(Cl)c(F)c1)[NH+]1CCOCC1 ZINC000190864535 532358424 /nfs/dbraw/zinc/35/84/24/532358424.db2.gz IJGDGRJIKHNJOK-MRXNPFEDSA-N 1 2 378.897 2.255 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N2CC[NH+]3CCC2CC3)ccc1Br ZINC000191096270 532359466 /nfs/dbraw/zinc/35/94/66/532359466.db2.gz JKXPIOQTLHEKFY-UHFFFAOYSA-N 1 2 387.299 2.120 20 0 GEADLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000191171020 532359814 /nfs/dbraw/zinc/35/98/14/532359814.db2.gz WBZSQUTVHSZATF-VXGBXAGGSA-N 1 2 376.316 2.457 20 0 GEADLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191319592 532360437 /nfs/dbraw/zinc/36/04/37/532360437.db2.gz BLMRQHRVRLBDLQ-QWRGUYRKSA-N 1 2 379.452 2.372 20 0 GEADLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191319592 532360438 /nfs/dbraw/zinc/36/04/38/532360438.db2.gz BLMRQHRVRLBDLQ-QWRGUYRKSA-N 1 2 379.452 2.372 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ncc(Br)cc3F)C2=O)n(C)n1 ZINC000187356913 532344124 /nfs/dbraw/zinc/34/41/24/532344124.db2.gz HQMVVPGTNWKRTN-GWCFXTLKSA-N 1 2 396.264 2.481 20 0 GEADLO CSC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000187732693 532345270 /nfs/dbraw/zinc/34/52/70/532345270.db2.gz XUXJAKXEPNBACF-GFCCVEGCSA-N 1 2 399.365 2.024 20 0 GEADLO O=C(c1[nH]c2ccccc2c1Br)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000372111712 532372039 /nfs/dbraw/zinc/37/20/39/532372039.db2.gz WZRUHKNZSQALNL-LBPRGKRZSA-N 1 2 378.270 2.477 20 0 GEADLO CCC[NH+]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)CC1 ZINC000463503154 532375463 /nfs/dbraw/zinc/37/54/63/532375463.db2.gz SBEFKOFJKLWUNK-UHFFFAOYSA-N 1 2 398.248 2.335 20 0 GEADLO O=C(c1cc(Br)cc(Cl)c1O)N1CC(C[NH+]2CCOCC2)C1 ZINC000622062768 532376186 /nfs/dbraw/zinc/37/61/86/532376186.db2.gz TUDRWSRIUXWURX-UHFFFAOYSA-N 1 2 389.677 2.212 20 0 GEADLO O=C(NCC1CC[NH+](CC(F)F)CC1)c1cc(Br)c[nH]c1=O ZINC000622056794 532376562 /nfs/dbraw/zinc/37/65/62/532376562.db2.gz BFDXVVUEBCMDRX-UHFFFAOYSA-N 1 2 378.217 2.257 20 0 GEADLO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000622073071 532376818 /nfs/dbraw/zinc/37/68/18/532376818.db2.gz ILZOZGSJBFPSJE-LBPRGKRZSA-N 1 2 397.269 2.115 20 0 GEADLO COCCCCS(=O)(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000372238376 532378218 /nfs/dbraw/zinc/37/82/18/532378218.db2.gz XGPPREMWCMOXEU-UHFFFAOYSA-N 1 2 375.560 2.010 20 0 GEADLO C[C@H]1C[N@H+](CCN(CCO)Cc2cc(Br)ccc2F)CCO1 ZINC000191478211 532361168 /nfs/dbraw/zinc/36/11/68/532361168.db2.gz JMYYXQZXYBURFP-ZDUSSCGKSA-N 1 2 375.282 2.103 20 0 GEADLO C[C@H]1C[N@@H+](CCN(CCO)Cc2cc(Br)ccc2F)CCO1 ZINC000191478211 532361169 /nfs/dbraw/zinc/36/11/69/532361169.db2.gz JMYYXQZXYBURFP-ZDUSSCGKSA-N 1 2 375.282 2.103 20 0 GEADLO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191613091 532361629 /nfs/dbraw/zinc/36/16/29/532361629.db2.gz IRDNNKYOJGPXJX-QGZVFWFLSA-N 1 2 396.329 2.386 20 0 GEADLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191613091 532361630 /nfs/dbraw/zinc/36/16/30/532361630.db2.gz IRDNNKYOJGPXJX-QGZVFWFLSA-N 1 2 396.329 2.386 20 0 GEADLO Cc1cc(=O)n2nc(C[N@@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)sc2n1 ZINC000515468766 532366019 /nfs/dbraw/zinc/36/60/19/532366019.db2.gz WWXIJRVLUFVKMS-CZUORRHYSA-N 1 2 376.869 2.421 20 0 GEADLO Cc1cc(=O)n2nc(C[N@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)sc2n1 ZINC000515468766 532366025 /nfs/dbraw/zinc/36/60/25/532366025.db2.gz WWXIJRVLUFVKMS-CZUORRHYSA-N 1 2 376.869 2.421 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)C[C@H]1C ZINC000677147915 532366098 /nfs/dbraw/zinc/36/60/98/532366098.db2.gz LDRSSOJLVZHXJO-GFCCVEGCSA-N 1 2 391.331 2.481 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)C[C@H]1C ZINC000677147915 532366105 /nfs/dbraw/zinc/36/61/05/532366105.db2.gz LDRSSOJLVZHXJO-GFCCVEGCSA-N 1 2 391.331 2.481 20 0 GEADLO Cc1ccc(Br)c(C(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)c1 ZINC000372004647 532366847 /nfs/dbraw/zinc/36/68/47/532366847.db2.gz SUTKZJCCXUZAOC-UHFFFAOYSA-N 1 2 394.313 2.313 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)Cc1cnn(C)c1 ZINC000294556030 532367343 /nfs/dbraw/zinc/36/73/43/532367343.db2.gz LJNYRNQRQAXHPC-LBPRGKRZSA-N 1 2 395.301 2.328 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000294556030 532367348 /nfs/dbraw/zinc/36/73/48/532367348.db2.gz LJNYRNQRQAXHPC-LBPRGKRZSA-N 1 2 395.301 2.328 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cncc(C(F)(F)F)c2)C1)C1CC1 ZINC000463207641 532368441 /nfs/dbraw/zinc/36/84/41/532368441.db2.gz BTCRXVYIHNJJCU-GFCCVEGCSA-N 1 2 377.432 2.394 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cncc(C(F)(F)F)c2)C1)C1CC1 ZINC000463207641 532368449 /nfs/dbraw/zinc/36/84/49/532368449.db2.gz BTCRXVYIHNJJCU-GFCCVEGCSA-N 1 2 377.432 2.394 20 0 GEADLO CS(=O)(=O)NCC[N@H+](Cc1nc2cc(Br)ccc2o1)C1CC1 ZINC000463208058 532368484 /nfs/dbraw/zinc/36/84/84/532368484.db2.gz VXHQTHDYQPDXNS-UHFFFAOYSA-N 1 2 388.287 2.104 20 0 GEADLO CS(=O)(=O)NCC[N@@H+](Cc1nc2cc(Br)ccc2o1)C1CC1 ZINC000463208058 532368486 /nfs/dbraw/zinc/36/84/86/532368486.db2.gz VXHQTHDYQPDXNS-UHFFFAOYSA-N 1 2 388.287 2.104 20 0 GEADLO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000463228503 532370507 /nfs/dbraw/zinc/37/05/07/532370507.db2.gz BURNOPBQSDFJJM-KRWDZBQOSA-N 1 2 389.279 2.065 20 0 GEADLO Cn1cc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)nc1Cl ZINC000372100684 532371795 /nfs/dbraw/zinc/37/17/95/532371795.db2.gz DMKOUPQTXLFQLS-UHFFFAOYSA-N 1 2 386.880 2.109 20 0 GEADLO Cn1cc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)nc1Cl ZINC000372100684 532371799 /nfs/dbraw/zinc/37/17/99/532371799.db2.gz DMKOUPQTXLFQLS-UHFFFAOYSA-N 1 2 386.880 2.109 20 0 GEADLO O=S1(=O)CC[C@H](CC[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000677675844 532380223 /nfs/dbraw/zinc/38/02/23/532380223.db2.gz HWNKIGSDBQVORE-INIZCTEOSA-N 1 2 386.945 2.161 20 0 GEADLO COCC[C@@H](C)S(=O)(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000463692772 532380586 /nfs/dbraw/zinc/38/05/86/532380586.db2.gz HESMRHBCRQWHPF-OAHLLOKOSA-N 1 2 390.933 2.091 20 0 GEADLO C[N@H+](CC(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)[C@@H]1CCSC1 ZINC000425298108 532383660 /nfs/dbraw/zinc/38/36/60/532383660.db2.gz PXCWQUHYWJKXPT-CQSZACIVSA-N 1 2 379.917 2.221 20 0 GEADLO C[N@@H+](CC(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)[C@@H]1CCSC1 ZINC000425298108 532383665 /nfs/dbraw/zinc/38/36/65/532383665.db2.gz PXCWQUHYWJKXPT-CQSZACIVSA-N 1 2 379.917 2.221 20 0 GEADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCSC2)CC1 ZINC000558076826 532384118 /nfs/dbraw/zinc/38/41/18/532384118.db2.gz IZJQTXPEKBAXGK-UONOGXRCSA-N 1 2 381.929 2.167 20 0 GEADLO CC[C@H](NC(=O)NC1CC[NH+](Cc2cscn2)CC1)[C@H](O)C(F)(F)F ZINC000372322046 532385715 /nfs/dbraw/zinc/38/57/15/532385715.db2.gz RRRPUVWPSUUTGD-STQMWFEESA-N 1 2 380.436 2.109 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000623304268 532385750 /nfs/dbraw/zinc/38/57/50/532385750.db2.gz VDYANOSDWPOIIO-NSHDSACASA-N 1 2 378.226 2.162 20 0 GEADLO O=C(c1ccc(I)cn1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590835461 532388445 /nfs/dbraw/zinc/38/84/45/532388445.db2.gz GANRTCYFLNBAKT-GFCCVEGCSA-N 1 2 382.205 2.360 20 0 GEADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000558412131 532389546 /nfs/dbraw/zinc/38/95/46/532389546.db2.gz RMAFHBHMXLRUQZ-KRWDZBQOSA-N 1 2 396.285 2.357 20 0 GEADLO CCn1nnc(C)c1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000294950088 532392076 /nfs/dbraw/zinc/39/20/76/532392076.db2.gz LYMWUHYJJHWEGV-UHFFFAOYSA-N 1 2 377.246 2.255 20 0 GEADLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000516815544 532393539 /nfs/dbraw/zinc/39/35/39/532393539.db2.gz VMUDJLLBVLUVOJ-CYBMUJFWSA-N 1 2 377.501 2.027 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)c2cnc(Cl)c(F)c2)C[C@H](C)O1 ZINC000279272080 532394495 /nfs/dbraw/zinc/39/44/95/532394495.db2.gz NMBDQUVYHHHIEQ-FRRDWIJNSA-N 1 2 391.896 2.136 20 0 GEADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)c2cnc(Cl)c(F)c2)C[C@H](C)O1 ZINC000279272080 532394500 /nfs/dbraw/zinc/39/45/00/532394500.db2.gz NMBDQUVYHHHIEQ-FRRDWIJNSA-N 1 2 391.896 2.136 20 0 GEADLO C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCS1(=O)=O ZINC000192267276 532398595 /nfs/dbraw/zinc/39/85/95/532398595.db2.gz GHPOTYKOCKAFDH-CABCVRRESA-N 1 2 385.555 2.104 20 0 GEADLO CNc1cc(I)ccc1C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000591075139 532398802 /nfs/dbraw/zinc/39/88/02/532398802.db2.gz OTTCBNWSJOLOJG-UHFFFAOYSA-N 1 2 396.232 2.494 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000295016424 532396131 /nfs/dbraw/zinc/39/61/31/532396131.db2.gz REQAIIXNBYXQKV-NSHDSACASA-N 1 2 381.687 2.412 20 0 GEADLO Cn1nc(Br)cc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000192229006 532396527 /nfs/dbraw/zinc/39/65/27/532396527.db2.gz UWYQMDPMMPYKRR-UHFFFAOYSA-N 1 2 392.301 2.182 20 0 GEADLO CN(CCS(=O)(=O)Cc1ccccc1)Cc1[nH+]ccn1CC(F)(F)F ZINC000279734840 532401074 /nfs/dbraw/zinc/40/10/74/532401074.db2.gz ODTNTHLUFQJLAT-UHFFFAOYSA-N 1 2 375.416 2.492 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000648822225 532402580 /nfs/dbraw/zinc/40/25/80/532402580.db2.gz PIEDALLKEOARMJ-NSHDSACASA-N 1 2 387.249 2.144 20 0 GEADLO O=C([C@H]1CCc2cc(Br)ccc21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000648822112 532402752 /nfs/dbraw/zinc/40/27/52/532402752.db2.gz KYHYXFYHPHTDLP-RDJZCZTQSA-N 1 2 379.298 2.412 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000464695859 532403160 /nfs/dbraw/zinc/40/31/60/532403160.db2.gz WUXDLOVKMQPXTM-HNNXBMFYSA-N 1 2 381.416 2.248 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000464695859 532403169 /nfs/dbraw/zinc/40/31/69/532403169.db2.gz WUXDLOVKMQPXTM-HNNXBMFYSA-N 1 2 381.416 2.248 20 0 GEADLO C[C@H]([NH2+]CC(=O)Nc1ccon1)c1cc2c(cc1Br)OCCO2 ZINC000678755356 532401506 /nfs/dbraw/zinc/40/15/06/532401506.db2.gz BQDBPXLNPZLTDZ-VIFPVBQESA-N 1 2 382.214 2.498 20 0 GEADLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000678756101 532401669 /nfs/dbraw/zinc/40/16/69/532401669.db2.gz UFZJYMCPIBYEHW-SECBINFHSA-N 1 2 380.246 2.393 20 0 GEADLO Cc1csc(=O)n1CC[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000464729282 532403713 /nfs/dbraw/zinc/40/37/13/532403713.db2.gz DJOOLTKLAGQIBW-UHFFFAOYSA-N 1 2 379.913 2.259 20 0 GEADLO O=S(=O)(c1cc(Cl)sc1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000679471187 532405214 /nfs/dbraw/zinc/40/52/14/532405214.db2.gz DGYRJGHVSOLDQY-VHSXEESVSA-N 1 2 385.338 2.275 20 0 GEADLO CCSCC[C@@H](C)[N@H+](C)CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000464852521 532406915 /nfs/dbraw/zinc/40/69/15/532406915.db2.gz OEJNHURSCAYMPM-CVEARBPZSA-N 1 2 378.604 2.122 20 0 GEADLO CCSCC[C@@H](C)[N@@H+](C)CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000464852521 532406919 /nfs/dbraw/zinc/40/69/19/532406919.db2.gz OEJNHURSCAYMPM-CVEARBPZSA-N 1 2 378.604 2.122 20 0 GEADLO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000372741212 532407077 /nfs/dbraw/zinc/40/70/77/532407077.db2.gz NSFIPNGQNIWWLI-JTQLQIEISA-N 1 2 399.257 2.303 20 0 GEADLO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000372741212 532407082 /nfs/dbraw/zinc/40/70/82/532407082.db2.gz NSFIPNGQNIWWLI-JTQLQIEISA-N 1 2 399.257 2.303 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000192736502 532406351 /nfs/dbraw/zinc/40/63/51/532406351.db2.gz QWGKFGMCQCBKGJ-OAHLLOKOSA-N 1 2 390.908 2.496 20 0 GEADLO C[C@@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CCOCC(F)(F)F)CC1 ZINC000517263483 532412133 /nfs/dbraw/zinc/41/21/33/532412133.db2.gz NHRMKHIAEQPPPY-LBPRGKRZSA-N 1 2 386.461 2.335 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427128301 532412214 /nfs/dbraw/zinc/41/22/14/532412214.db2.gz ZQWWVTSBVUVKEO-UHFFFAOYSA-N 1 2 387.184 2.069 20 0 GEADLO CC[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)[NH+](C)C ZINC000372862610 532414596 /nfs/dbraw/zinc/41/45/96/532414596.db2.gz PDRHTUHXKYGCDZ-OLZOCXBDSA-N 1 2 389.315 2.124 20 0 GEADLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000295177377 532414871 /nfs/dbraw/zinc/41/48/71/532414871.db2.gz HYOJHMFATHZECE-UHFFFAOYSA-N 1 2 379.305 2.070 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)C(C)(C)O)[nH+]c12 ZINC000680520108 532416316 /nfs/dbraw/zinc/41/63/16/532416316.db2.gz KIIYTBGVDWWHES-NSHDSACASA-N 1 2 383.290 2.406 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000465609239 532418286 /nfs/dbraw/zinc/41/82/86/532418286.db2.gz SYFMZBYNQSLRKG-SNVBAGLBSA-N 1 2 380.436 2.417 20 0 GEADLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1cccc(Br)c1F ZINC000295197864 532418302 /nfs/dbraw/zinc/41/83/02/532418302.db2.gz MMCIQWRXLGAZTH-UHFFFAOYSA-N 1 2 391.266 2.147 20 0 GEADLO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000372931946 532421029 /nfs/dbraw/zinc/42/10/29/532421029.db2.gz AXHSKKLQRAQFIT-LSDHHAIUSA-N 1 2 392.297 2.175 20 0 GEADLO CN(Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000295209850 532419048 /nfs/dbraw/zinc/41/90/48/532419048.db2.gz ZWNFGNILSKMWCP-SJORKVTESA-N 1 2 382.295 2.479 20 0 GEADLO CN(Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000295209850 532419057 /nfs/dbraw/zinc/41/90/57/532419057.db2.gz ZWNFGNILSKMWCP-SJORKVTESA-N 1 2 382.295 2.479 20 0 GEADLO C[N@H+](Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295209850 532419061 /nfs/dbraw/zinc/41/90/61/532419061.db2.gz ZWNFGNILSKMWCP-SJORKVTESA-N 1 2 382.295 2.479 20 0 GEADLO C[N@@H+](Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295209850 532419065 /nfs/dbraw/zinc/41/90/65/532419065.db2.gz ZWNFGNILSKMWCP-SJORKVTESA-N 1 2 382.295 2.479 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)c(F)cc1O ZINC000295207545 532420176 /nfs/dbraw/zinc/42/01/76/532420176.db2.gz GEBFOBXVLCXVSI-WDEREUQCSA-N 1 2 387.249 2.229 20 0 GEADLO COc1ccsc1S(=O)(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000625405029 532423551 /nfs/dbraw/zinc/42/35/51/532423551.db2.gz AEMQKIGFWXABDD-CQSZACIVSA-N 1 2 382.507 2.318 20 0 GEADLO COc1ccsc1S(=O)(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000625405029 532423560 /nfs/dbraw/zinc/42/35/60/532423560.db2.gz AEMQKIGFWXABDD-CQSZACIVSA-N 1 2 382.507 2.318 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1)Nc1cccc(Br)c1 ZINC000560713595 532422012 /nfs/dbraw/zinc/42/20/12/532422012.db2.gz MPTKMLFKMDMSOQ-HNNXBMFYSA-N 1 2 381.270 2.458 20 0 GEADLO O=C(CC[N@H+]1CCO[C@H](C(=O)C2CC2)C1)Nc1cccc(Br)c1 ZINC000560713595 532422017 /nfs/dbraw/zinc/42/20/17/532422017.db2.gz MPTKMLFKMDMSOQ-HNNXBMFYSA-N 1 2 381.270 2.458 20 0 GEADLO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCc3c([nH+]cn3C)C2)c1 ZINC000649832714 532426716 /nfs/dbraw/zinc/42/67/16/532426716.db2.gz HNYRGOAZNHMWER-UHFFFAOYSA-N 1 2 375.372 2.195 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C2)o1 ZINC000295262106 532428200 /nfs/dbraw/zinc/42/82/00/532428200.db2.gz HBLPPCTZZZRIDQ-GXFFZTMASA-N 1 2 386.221 2.178 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C2)o1 ZINC000295262106 532428205 /nfs/dbraw/zinc/42/82/05/532428205.db2.gz HBLPPCTZZZRIDQ-GXFFZTMASA-N 1 2 386.221 2.178 20 0 GEADLO Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1Cl ZINC000681694140 532435806 /nfs/dbraw/zinc/43/58/06/532435806.db2.gz HVHHBCBTVSWOSZ-NSHDSACASA-N 1 2 381.325 2.297 20 0 GEADLO Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1Cl ZINC000681694140 532435811 /nfs/dbraw/zinc/43/58/11/532435811.db2.gz HVHHBCBTVSWOSZ-NSHDSACASA-N 1 2 381.325 2.297 20 0 GEADLO CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1OC ZINC000373175201 532436779 /nfs/dbraw/zinc/43/67/79/532436779.db2.gz FQXCBTQYOUJGAG-AWEZNQCLSA-N 1 2 388.917 2.403 20 0 GEADLO CCOc1c(Cl)cc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1OC ZINC000373175201 532436786 /nfs/dbraw/zinc/43/67/86/532436786.db2.gz FQXCBTQYOUJGAG-AWEZNQCLSA-N 1 2 388.917 2.403 20 0 GEADLO COCC[C@H](CO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000281791527 532432840 /nfs/dbraw/zinc/43/28/40/532432840.db2.gz VQWZNVJZAWITLL-CVEARBPZSA-N 1 2 385.302 2.100 20 0 GEADLO COc1cc(Br)ccc1CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000681658154 532434301 /nfs/dbraw/zinc/43/43/01/532434301.db2.gz JAFPLNSIKXGPID-ZDUSSCGKSA-N 1 2 379.258 2.468 20 0 GEADLO COc1cc(Br)ccc1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000681657942 532434404 /nfs/dbraw/zinc/43/44/04/532434404.db2.gz JAFPLNSIKXGPID-CYBMUJFWSA-N 1 2 379.258 2.468 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CCO1 ZINC000427870859 532435078 /nfs/dbraw/zinc/43/50/78/532435078.db2.gz GTDTWUDWVYPPLG-CYBMUJFWSA-N 1 2 388.295 2.467 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CCO1 ZINC000427870859 532435084 /nfs/dbraw/zinc/43/50/84/532435084.db2.gz GTDTWUDWVYPPLG-CYBMUJFWSA-N 1 2 388.295 2.467 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCO1 ZINC000427874841 532435176 /nfs/dbraw/zinc/43/51/76/532435176.db2.gz JDQNFSZAGMWPIJ-LLVKDONJSA-N 1 2 392.258 2.298 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCO1 ZINC000427874841 532435183 /nfs/dbraw/zinc/43/51/83/532435183.db2.gz JDQNFSZAGMWPIJ-LLVKDONJSA-N 1 2 392.258 2.298 20 0 GEADLO O=S(=O)(Cc1cc2n(n1)CCC2)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000650179818 532440873 /nfs/dbraw/zinc/44/08/73/532440873.db2.gz VESJFUUYGHJSKY-UHFFFAOYSA-N 1 2 395.282 2.355 20 0 GEADLO O=S(=O)(CCCCF)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000561539094 532443608 /nfs/dbraw/zinc/44/36/08/532443608.db2.gz ULDCAKPVZNRTPK-UHFFFAOYSA-N 1 2 377.913 2.131 20 0 GEADLO Cn1nc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2cc(Cl)ccc2Cl)nc1N ZINC000295426401 532445560 /nfs/dbraw/zinc/44/55/60/532445560.db2.gz UOSSYRLSWQRCKX-AAEUAGOBSA-N 1 2 386.283 2.281 20 0 GEADLO Cn1nc([C@@H]2CCC[N@H+]2C[C@H](O)COc2cc(Cl)ccc2Cl)nc1N ZINC000295426401 532445568 /nfs/dbraw/zinc/44/55/68/532445568.db2.gz UOSSYRLSWQRCKX-AAEUAGOBSA-N 1 2 386.283 2.281 20 0 GEADLO CN(c1nc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cs1)C1CC1 ZINC000518828327 532446634 /nfs/dbraw/zinc/44/66/34/532446634.db2.gz HGYXAGQODIFLGU-ZDUSSCGKSA-N 1 2 384.571 2.036 20 0 GEADLO CN(c1nc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cs1)C1CC1 ZINC000518828327 532446642 /nfs/dbraw/zinc/44/66/42/532446642.db2.gz HGYXAGQODIFLGU-ZDUSSCGKSA-N 1 2 384.571 2.036 20 0 GEADLO O=S(=O)(NCCC[NH+]1CCOCC1)c1c(Cl)cccc1Br ZINC000282210815 532447776 /nfs/dbraw/zinc/44/77/76/532447776.db2.gz MWVOEOPGCHNIAR-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO CC[C@](C)([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C(=O)OC ZINC000428305228 532449489 /nfs/dbraw/zinc/44/94/89/532449489.db2.gz ZTFDVBXMCXTKJA-WFASDCNBSA-N 1 2 378.238 2.259 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)NCc3cc(Br)cs3)CC2)cn1 ZINC000592343424 532449987 /nfs/dbraw/zinc/44/99/87/532449987.db2.gz MWMWGAFSIYPDGX-UHFFFAOYSA-N 1 2 398.330 2.272 20 0 GEADLO C[NH+](C)Cc1ccsc1C(=O)NCCS(=O)(=O)CCc1ccccc1 ZINC000282275268 532452991 /nfs/dbraw/zinc/45/29/91/532452991.db2.gz XQNIMGXCIJVUQQ-UHFFFAOYSA-N 1 2 380.535 2.197 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000295494753 532453908 /nfs/dbraw/zinc/45/39/08/532453908.db2.gz BCDKYUSOEFQECU-AWEZNQCLSA-N 1 2 387.889 2.120 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)CSCc2cc(-c3cccs3)on2)CC1 ZINC000428503997 532455028 /nfs/dbraw/zinc/45/50/28/532455028.db2.gz RNDBZAWRPVCYAT-ZDUSSCGKSA-N 1 2 381.523 2.161 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(=O)n1C ZINC000683408864 532458554 /nfs/dbraw/zinc/45/85/54/532458554.db2.gz YQARCOGHABRNHP-LBPRGKRZSA-N 1 2 379.258 2.130 20 0 GEADLO Cc1c(NC(=O)[C@@H]([NH3+])c2cscn2)cccc1C(=O)N1CCSCC1 ZINC000519385024 532461554 /nfs/dbraw/zinc/46/15/54/532461554.db2.gz HYVQBYHJYMHKRA-HNNXBMFYSA-N 1 2 376.507 2.279 20 0 GEADLO CN1C[C@@H]([N@H+](C)Cc2cn(-c3ccccc3Br)nn2)CCC1=O ZINC000628368815 532463997 /nfs/dbraw/zinc/46/39/97/532463997.db2.gz AELJMTGFSSKTFC-ZDUSSCGKSA-N 1 2 378.274 2.082 20 0 GEADLO CN1C[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3Br)nn2)CCC1=O ZINC000628368815 532464005 /nfs/dbraw/zinc/46/40/05/532464005.db2.gz AELJMTGFSSKTFC-ZDUSSCGKSA-N 1 2 378.274 2.082 20 0 GEADLO Cc1cccn2cc(CCNC(=O)Cc3cc[nH]c(=O)c3Br)[nH+]c12 ZINC000683623590 532463116 /nfs/dbraw/zinc/46/31/16/532463116.db2.gz OQFALXJKNLNZDV-UHFFFAOYSA-N 1 2 389.253 2.407 20 0 GEADLO Cn1cc(S(=O)(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc1Cl ZINC000282504865 532472032 /nfs/dbraw/zinc/47/20/32/532472032.db2.gz ZEQVLWBKXKPNFX-LBPRGKRZSA-N 1 2 383.905 2.175 20 0 GEADLO O=C1C[C@@H]([N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)C(=O)N1CC(F)(F)F ZINC000195246359 532472563 /nfs/dbraw/zinc/47/25/63/532472563.db2.gz NVZFTGJNBJNCQA-QWHCGFSZSA-N 1 2 376.762 2.483 20 0 GEADLO O=C1C[C@@H]([N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)C(=O)N1CC(F)(F)F ZINC000195246359 532472572 /nfs/dbraw/zinc/47/25/72/532472572.db2.gz NVZFTGJNBJNCQA-QWHCGFSZSA-N 1 2 376.762 2.483 20 0 GEADLO O=C1C[C@H](N2CC[NH+](Cc3ccc(Cl)s3)CC2)C(=O)N1CC(F)(F)F ZINC000195233389 532473588 /nfs/dbraw/zinc/47/35/88/532473588.db2.gz HPRNDZCFTAKESU-NSHDSACASA-N 1 2 395.834 2.209 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(Br)ccc1Br ZINC000628915353 532476734 /nfs/dbraw/zinc/47/67/34/532476734.db2.gz RCVRXNQYQXONBC-SNVBAGLBSA-N 1 2 392.091 2.272 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc(Br)ccc1Br ZINC000628915353 532476741 /nfs/dbraw/zinc/47/67/41/532476741.db2.gz RCVRXNQYQXONBC-SNVBAGLBSA-N 1 2 392.091 2.272 20 0 GEADLO COc1cc(Br)c(Cl)cc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628914199 532476931 /nfs/dbraw/zinc/47/69/31/532476931.db2.gz YSXUNYPUZWZZNN-VIFPVBQESA-N 1 2 377.666 2.172 20 0 GEADLO COc1cc(Br)c(Cl)cc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628914199 532476936 /nfs/dbraw/zinc/47/69/36/532476936.db2.gz YSXUNYPUZWZZNN-VIFPVBQESA-N 1 2 377.666 2.172 20 0 GEADLO Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)c2ccc(Br)cc2n1 ZINC000628921707 532477443 /nfs/dbraw/zinc/47/74/43/532477443.db2.gz RXWAYVLBCVZORK-CYBMUJFWSA-N 1 2 378.270 2.366 20 0 GEADLO Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)c2ccc(Br)cc2n1 ZINC000628921707 532477449 /nfs/dbraw/zinc/47/74/49/532477449.db2.gz RXWAYVLBCVZORK-CYBMUJFWSA-N 1 2 378.270 2.366 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628917857 532477508 /nfs/dbraw/zinc/47/75/08/532477508.db2.gz MIHSKOJNVGJXDU-OAHLLOKOSA-N 1 2 393.285 2.004 20 0 GEADLO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628917857 532477512 /nfs/dbraw/zinc/47/75/12/532477512.db2.gz MIHSKOJNVGJXDU-OAHLLOKOSA-N 1 2 393.285 2.004 20 0 GEADLO O=C(N[C@@H](CCO)c1ccccc1Br)[C@@H]1CCc2c[nH+]cn2C1 ZINC000519823701 532479780 /nfs/dbraw/zinc/47/97/80/532479780.db2.gz NAAMWBJPTJLMIP-WBMJQRKESA-N 1 2 378.270 2.448 20 0 GEADLO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)CC[S@@]1=O ZINC000429569880 532480437 /nfs/dbraw/zinc/48/04/37/532480437.db2.gz NEORYCFWFQDVLM-YOEYROIRSA-N 1 2 376.316 2.032 20 0 GEADLO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)CC[S@@]1=O ZINC000429569880 532480442 /nfs/dbraw/zinc/48/04/42/532480442.db2.gz NEORYCFWFQDVLM-YOEYROIRSA-N 1 2 376.316 2.032 20 0 GEADLO O=S(=O)(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc(Cl)c(F)c1 ZINC000651603461 532481193 /nfs/dbraw/zinc/48/11/93/532481193.db2.gz ZGFNRWNAILXMFW-JKSUJKDBSA-N 1 2 376.881 2.401 20 0 GEADLO O[C@H](CN1CCC[C@@H]1c1ccc(Br)c(F)c1)C[NH+]1CCOCC1 ZINC000374033744 532486749 /nfs/dbraw/zinc/48/67/49/532486749.db2.gz NCEWBWDTLHUGNU-WMLDXEAASA-N 1 2 387.293 2.418 20 0 GEADLO COCn1nc(C)c(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)c1C ZINC000430076466 532489190 /nfs/dbraw/zinc/48/91/90/532489190.db2.gz DFWJKQVXFSPOMJ-UHFFFAOYSA-N 1 2 378.376 2.256 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000282695145 532489655 /nfs/dbraw/zinc/48/96/55/532489655.db2.gz XKTLAWJMIXPKSK-WFASDCNBSA-N 1 2 398.301 2.293 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000295952353 532489870 /nfs/dbraw/zinc/48/98/70/532489870.db2.gz HGGGZSFWMFYVOX-UHFFFAOYSA-N 1 2 379.295 2.492 20 0 GEADLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1Cl ZINC000295965397 532490385 /nfs/dbraw/zinc/49/03/85/532490385.db2.gz JTYKPUVGBCVYMM-AWEZNQCLSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1Cl ZINC000295965397 532490393 /nfs/dbraw/zinc/49/03/93/532490393.db2.gz JTYKPUVGBCVYMM-AWEZNQCLSA-N 1 2 386.901 2.127 20 0 GEADLO C[N@@H+]1CC[C@H](CNS(=O)(=O)NCC(F)(F)F)[C@H]1c1cccc(Cl)c1 ZINC000374237915 532493324 /nfs/dbraw/zinc/49/33/24/532493324.db2.gz NZIJSEIBEXXCSL-DGCLKSJQSA-N 1 2 385.839 2.319 20 0 GEADLO C[N@H+]1CC[C@H](CNS(=O)(=O)NCC(F)(F)F)[C@H]1c1cccc(Cl)c1 ZINC000374237915 532493325 /nfs/dbraw/zinc/49/33/25/532493325.db2.gz NZIJSEIBEXXCSL-DGCLKSJQSA-N 1 2 385.839 2.319 20 0 GEADLO CS(=O)(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000374224603 532494376 /nfs/dbraw/zinc/49/43/76/532494376.db2.gz WAJPPQHWABUXMI-CYBMUJFWSA-N 1 2 379.263 2.473 20 0 GEADLO CS(=O)(=O)CC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000374224603 532494381 /nfs/dbraw/zinc/49/43/81/532494381.db2.gz WAJPPQHWABUXMI-CYBMUJFWSA-N 1 2 379.263 2.473 20 0 GEADLO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000373823814 532473876 /nfs/dbraw/zinc/47/38/76/532473876.db2.gz OXJWTOFIWCPQSV-KGLIPLIRSA-N 1 2 397.299 2.352 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000468822106 532476001 /nfs/dbraw/zinc/47/60/01/532476001.db2.gz FGTBFGBSVQEYBA-ZIAGYGMSSA-N 1 2 385.302 2.396 20 0 GEADLO CN1CCOC[C@H]1CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000628917580 532476555 /nfs/dbraw/zinc/47/65/55/532476555.db2.gz KKHLHBRCFVRWQK-IAGOWNOFSA-N 1 2 396.329 2.033 20 0 GEADLO CNS(=O)(=O)[C@H]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000374412934 532502824 /nfs/dbraw/zinc/50/28/24/532502824.db2.gz ABYWQCXMRJEUCN-VIFPVBQESA-N 1 2 388.262 2.264 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000521065229 532504826 /nfs/dbraw/zinc/50/48/26/532504826.db2.gz NZFDFKLPKKOVAJ-QWHCGFSZSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000521065229 532504829 /nfs/dbraw/zinc/50/48/29/532504829.db2.gz NZFDFKLPKKOVAJ-QWHCGFSZSA-N 1 2 380.286 2.318 20 0 GEADLO CN(C(=O)c1ccc(S(C)(=O)=O)o1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000630005953 532504901 /nfs/dbraw/zinc/50/49/01/532504901.db2.gz IFWJJZUEZMMBQV-UHFFFAOYSA-N 1 2 382.404 2.172 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c(Cl)c1 ZINC000563435050 532505332 /nfs/dbraw/zinc/50/53/32/532505332.db2.gz AHRCGFUPIARHIQ-ZDUSSCGKSA-N 1 2 388.917 2.222 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c(Cl)c1 ZINC000563435050 532505337 /nfs/dbraw/zinc/50/53/37/532505337.db2.gz AHRCGFUPIARHIQ-ZDUSSCGKSA-N 1 2 388.917 2.222 20 0 GEADLO O=C(C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1)Nc1cccc(Cl)c1 ZINC000282932658 532507795 /nfs/dbraw/zinc/50/77/95/532507795.db2.gz YLTQLJQKESFROK-UHFFFAOYSA-N 1 2 385.917 2.169 20 0 GEADLO C[C@]1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCC[NH2+]C1 ZINC000237630849 532509854 /nfs/dbraw/zinc/50/98/54/532509854.db2.gz BCXXLMBPLDGFNL-INIZCTEOSA-N 1 2 380.495 2.272 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)ccc1Br ZINC000469843900 532513344 /nfs/dbraw/zinc/51/33/44/532513344.db2.gz NXJISTBJFKDQMV-RBOXIYTFSA-N 1 2 380.286 2.282 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)ccc1Br ZINC000469843900 532513347 /nfs/dbraw/zinc/51/33/47/532513347.db2.gz NXJISTBJFKDQMV-RBOXIYTFSA-N 1 2 380.286 2.282 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@H]1C ZINC000469865150 532514731 /nfs/dbraw/zinc/51/47/31/532514731.db2.gz UTIYHLFKMHLZMF-SMDDNHRTSA-N 1 2 390.299 2.106 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@H]1C ZINC000469865150 532514738 /nfs/dbraw/zinc/51/47/38/532514738.db2.gz UTIYHLFKMHLZMF-SMDDNHRTSA-N 1 2 390.299 2.106 20 0 GEADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)n1cc(C[NH+]2CCSCC2)nn1 ZINC000594656180 532516540 /nfs/dbraw/zinc/51/65/40/532516540.db2.gz GTZCSAZOBYPBNG-INIZCTEOSA-N 1 2 380.901 2.437 20 0 GEADLO COC(=O)[C@]1(C)CC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000470035406 532517783 /nfs/dbraw/zinc/51/77/83/532517783.db2.gz ZZQLJKZWPRNCEN-OAHLLOKOSA-N 1 2 390.299 2.108 20 0 GEADLO COC(=O)[C@]1(C)CC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000470035406 532517788 /nfs/dbraw/zinc/51/77/88/532517788.db2.gz ZZQLJKZWPRNCEN-OAHLLOKOSA-N 1 2 390.299 2.108 20 0 GEADLO O=C(c1ccc2[nH+]ccn2c1)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000374291775 532497772 /nfs/dbraw/zinc/49/77/72/532497772.db2.gz ALPKTGXBQNLEDJ-MRXNPFEDSA-N 1 2 399.248 2.410 20 0 GEADLO COc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)nc1Br ZINC000374367582 532499504 /nfs/dbraw/zinc/49/95/04/532499504.db2.gz WNMIZXCMYJIQSP-CYBMUJFWSA-N 1 2 377.242 2.034 20 0 GEADLO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374376719 532499661 /nfs/dbraw/zinc/49/96/61/532499661.db2.gz GCNRTAZDDREBPJ-AWEZNQCLSA-N 1 2 380.217 2.476 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000374395237 532500792 /nfs/dbraw/zinc/50/07/92/532500792.db2.gz LSMJGMKRAOONJV-INIZCTEOSA-N 1 2 379.869 2.273 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282859442 532501834 /nfs/dbraw/zinc/50/18/34/532501834.db2.gz OULKBHAMWKDJFS-ZYHUDNBSSA-N 1 2 396.289 2.105 20 0 GEADLO COc1ccc([C@@H](NS(=O)(=O)CCC(F)(F)F)c2[nH+]ccn2C)cc1 ZINC000375130792 532535543 /nfs/dbraw/zinc/53/55/43/532535543.db2.gz JFWVPUULHALUFX-CYBMUJFWSA-N 1 2 377.388 2.390 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000630948862 532536168 /nfs/dbraw/zinc/53/61/68/532536168.db2.gz NEJRIZRDJZSZPL-LSBZLQRGSA-N 1 2 394.357 2.479 20 0 GEADLO COc1ccccc1[C@@H](NS(=O)(=O)CCC(F)(F)F)c1[nH+]ccn1C ZINC000375134622 532536663 /nfs/dbraw/zinc/53/66/63/532536663.db2.gz YGJFHZAWSCTFCN-CYBMUJFWSA-N 1 2 377.388 2.390 20 0 GEADLO CN(C)c1ccnc(NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000432446305 532537626 /nfs/dbraw/zinc/53/76/26/532537626.db2.gz ZXPQRYRRLJBECC-UHFFFAOYSA-N 1 2 390.245 2.275 20 0 GEADLO O=C(N[C@@H](c1nccs1)C(F)(F)F)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000296811907 532545452 /nfs/dbraw/zinc/54/54/52/532545452.db2.gz ICULYWYYQFBBST-RYUDHWBXSA-N 1 2 378.420 2.253 20 0 GEADLO COC(=O)C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000470914163 532539348 /nfs/dbraw/zinc/53/93/48/532539348.db2.gz VFSXYEMHXBXXHW-LBPRGKRZSA-N 1 2 392.677 2.480 20 0 GEADLO COC(=O)C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000470914163 532539353 /nfs/dbraw/zinc/53/93/53/532539353.db2.gz VFSXYEMHXBXXHW-LBPRGKRZSA-N 1 2 392.677 2.480 20 0 GEADLO C[N@@H+](Cc1cnc(Br)s1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296751129 532539578 /nfs/dbraw/zinc/53/95/78/532539578.db2.gz OTJPMSMQMBIVFW-SECBINFHSA-N 1 2 380.308 2.223 20 0 GEADLO C[N@H+](Cc1cnc(Br)s1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296751129 532539583 /nfs/dbraw/zinc/53/95/83/532539583.db2.gz OTJPMSMQMBIVFW-SECBINFHSA-N 1 2 380.308 2.223 20 0 GEADLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)nn1 ZINC000653694645 532539853 /nfs/dbraw/zinc/53/98/53/532539853.db2.gz MBUNYEHIGCAMFM-CYBMUJFWSA-N 1 2 381.420 2.207 20 0 GEADLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(OCC(F)(F)F)nn1 ZINC000653694645 532539859 /nfs/dbraw/zinc/53/98/59/532539859.db2.gz MBUNYEHIGCAMFM-CYBMUJFWSA-N 1 2 381.420 2.207 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@@H]1CCc2ccc(I)cc21)c1ccccn1 ZINC000595040158 532541826 /nfs/dbraw/zinc/54/18/26/532541826.db2.gz CYKZDFCLRMPOGZ-HIFRSBDPSA-N 1 2 393.228 2.490 20 0 GEADLO O[C@H](COC1CCOCC1)C[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000653836017 532542361 /nfs/dbraw/zinc/54/23/61/532542361.db2.gz TWDRMRIKJQWNBL-ZDUSSCGKSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@H](COC1CCOCC1)C[N@H+]1CCOc2cccc(Br)c2C1 ZINC000653836017 532542371 /nfs/dbraw/zinc/54/23/71/532542371.db2.gz TWDRMRIKJQWNBL-ZDUSSCGKSA-N 1 2 386.286 2.200 20 0 GEADLO NC(=O)[C@H]([NH2+][C@H]1CCc2ccc(I)cc21)c1ccccn1 ZINC000595040156 532543144 /nfs/dbraw/zinc/54/31/44/532543144.db2.gz CYKZDFCLRMPOGZ-DZGCQCFKSA-N 1 2 393.228 2.490 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246912564 532544067 /nfs/dbraw/zinc/54/40/67/532544067.db2.gz IJWVYFPKJCOKCN-GRDNDAEWSA-N 1 2 397.313 2.396 20 0 GEADLO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246874156 532544716 /nfs/dbraw/zinc/54/47/16/532544716.db2.gz GGHYZGPUKSYMHZ-IXDOHACOSA-N 1 2 379.298 2.486 20 0 GEADLO O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246874135 532544817 /nfs/dbraw/zinc/54/48/17/532544817.db2.gz GGHYZGPUKSYMHZ-BRWVUGGUSA-N 1 2 379.298 2.486 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CC1)C1=Cc2cc(Br)ccc2OC1 ZINC000470156891 532520854 /nfs/dbraw/zinc/52/08/54/532520854.db2.gz GJJWGGMDJIVVTI-UHFFFAOYSA-N 1 2 393.281 2.206 20 0 GEADLO CC(C)(CNC(=O)Cc1csc(CCC(F)(F)F)n1)[NH+]1CCOCC1 ZINC000630464576 532521309 /nfs/dbraw/zinc/52/13/09/532521309.db2.gz JPTGYMYGXHSUCG-UHFFFAOYSA-N 1 2 379.448 2.408 20 0 GEADLO O=S(=O)(CC[N@H+]1CCSC[C@H]1CCO)c1cccc(Br)c1 ZINC000470189148 532522699 /nfs/dbraw/zinc/52/26/99/532522699.db2.gz DBZCKBVJEQNJTE-CYBMUJFWSA-N 1 2 394.356 2.023 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCSC[C@H]1CCO)c1cccc(Br)c1 ZINC000470189148 532522702 /nfs/dbraw/zinc/52/27/02/532522702.db2.gz DBZCKBVJEQNJTE-CYBMUJFWSA-N 1 2 394.356 2.023 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)c1 ZINC000431914051 532524270 /nfs/dbraw/zinc/52/42/70/532524270.db2.gz YOCCLJUGVZGNIV-UHFFFAOYSA-N 1 2 383.857 2.413 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn([C@@H]3CCCc4ccc(Cl)cc43)nn2)C1 ZINC000630617075 532524373 /nfs/dbraw/zinc/52/43/73/532524373.db2.gz XAIYFZYKMHTOGN-RHSMWYFYSA-N 1 2 380.901 2.134 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)c2cc3c(c(Br)c2)OCO3)CCO1 ZINC000470441156 532528502 /nfs/dbraw/zinc/52/85/02/532528502.db2.gz UGGAIQCLKGZRFA-LBPRGKRZSA-N 1 2 385.258 2.018 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc3c(c(Br)c2)OCO3)CCO1 ZINC000470441156 532528510 /nfs/dbraw/zinc/52/85/10/532528510.db2.gz UGGAIQCLKGZRFA-LBPRGKRZSA-N 1 2 385.258 2.018 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)Cc2cc(OC)ccc2Br)CCO1 ZINC000470459850 532530840 /nfs/dbraw/zinc/53/08/40/532530840.db2.gz SQBPGJJNCTUVGQ-CQSZACIVSA-N 1 2 385.302 2.227 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)Cc2cc(OC)ccc2Br)CCO1 ZINC000470459850 532530847 /nfs/dbraw/zinc/53/08/47/532530847.db2.gz SQBPGJJNCTUVGQ-CQSZACIVSA-N 1 2 385.302 2.227 20 0 GEADLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000432270935 532532285 /nfs/dbraw/zinc/53/22/85/532532285.db2.gz OLOLNTVHZRIDRQ-AWEZNQCLSA-N 1 2 377.857 2.450 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246252499 532534692 /nfs/dbraw/zinc/53/46/92/532534692.db2.gz GTZPZZGUVBEBPU-UVBJJODRSA-N 1 2 376.881 2.180 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000246252499 532534700 /nfs/dbraw/zinc/53/47/00/532534700.db2.gz GTZPZZGUVBEBPU-UVBJJODRSA-N 1 2 376.881 2.180 20 0 GEADLO O=C1O[C@H](C[N@@H+]2CCn3c(Br)cnc3C2)CN1c1ccccc1 ZINC000375618716 532569663 /nfs/dbraw/zinc/56/96/63/532569663.db2.gz UVBHRSDFKKJUAV-CYBMUJFWSA-N 1 2 377.242 2.487 20 0 GEADLO O=C1O[C@H](C[N@H+]2CCn3c(Br)cnc3C2)CN1c1ccccc1 ZINC000375618716 532569667 /nfs/dbraw/zinc/56/96/67/532569667.db2.gz UVBHRSDFKKJUAV-CYBMUJFWSA-N 1 2 377.242 2.487 20 0 GEADLO C[C@H]([NH2+]CC(=O)NCCOc1ccccc1)c1ncc(Br)cn1 ZINC000432994743 532551527 /nfs/dbraw/zinc/55/15/27/532551527.db2.gz VNLBHNICEIRSBC-LBPRGKRZSA-N 1 2 379.258 2.085 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)[C@H](C)C1 ZINC000248644448 532553253 /nfs/dbraw/zinc/55/32/53/532553253.db2.gz FLASSDMPKVZNQL-ZJUUUORDSA-N 1 2 385.288 2.208 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)[C@H](C)C1 ZINC000248644448 532553258 /nfs/dbraw/zinc/55/32/58/532553258.db2.gz FLASSDMPKVZNQL-ZJUUUORDSA-N 1 2 385.288 2.208 20 0 GEADLO COC(=O)CCN1CC[C@@H]([N@H+](C)Cc2csc(Br)c2)C1=O ZINC000595294388 532553537 /nfs/dbraw/zinc/55/35/37/532553537.db2.gz LYCPAQKKCLJKAD-LLVKDONJSA-N 1 2 375.288 2.106 20 0 GEADLO COC(=O)CCN1CC[C@@H]([N@@H+](C)Cc2csc(Br)c2)C1=O ZINC000595294388 532553543 /nfs/dbraw/zinc/55/35/43/532553543.db2.gz LYCPAQKKCLJKAD-LLVKDONJSA-N 1 2 375.288 2.106 20 0 GEADLO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000248609998 532553601 /nfs/dbraw/zinc/55/36/01/532553601.db2.gz QCTBQNWDZSMRNH-AVGNSLFASA-N 1 2 387.571 2.125 20 0 GEADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000433130610 532555262 /nfs/dbraw/zinc/55/52/62/532555262.db2.gz AUMGYFWNZULYRX-WJFWATLMSA-N 1 2 394.306 2.171 20 0 GEADLO C[C@@H]1CC[S@](=O)CC[N@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000433130610 532555268 /nfs/dbraw/zinc/55/52/68/532555268.db2.gz AUMGYFWNZULYRX-WJFWATLMSA-N 1 2 394.306 2.171 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000296947631 532556167 /nfs/dbraw/zinc/55/61/67/532556167.db2.gz OQLIULDOSCVQAS-YFCVBGDOSA-N 1 2 380.242 2.386 20 0 GEADLO O=S(=O)(NCc1cc[nH+]c(N2CCOCC2)c1)c1cc(Cl)ccc1F ZINC000283777203 532556509 /nfs/dbraw/zinc/55/65/09/532556509.db2.gz BYDCJBDUQYLGOV-UHFFFAOYSA-N 1 2 385.848 2.189 20 0 GEADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000375430559 532556663 /nfs/dbraw/zinc/55/66/63/532556663.db2.gz BRBPXJCOYCZHQW-VXGBXAGGSA-N 1 2 391.269 2.254 20 0 GEADLO OCC[C@@H]([NH2+]Cc1nnnn1C1CCOCC1)c1ccccc1Br ZINC000433251865 532560599 /nfs/dbraw/zinc/56/05/99/532560599.db2.gz JKRNMIMWEWTGGM-OAHLLOKOSA-N 1 2 396.289 2.000 20 0 GEADLO CCn1cc(CC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)cn1 ZINC000654483989 532563275 /nfs/dbraw/zinc/56/32/75/532563275.db2.gz GTMQOWWIDGEFJW-UHFFFAOYSA-N 1 2 394.273 2.078 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)ccc2Br)C1 ZINC000565452118 532563823 /nfs/dbraw/zinc/56/38/23/532563823.db2.gz XEEWUGIPLNCRCQ-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(C)ccc2Br)C1 ZINC000565452118 532563825 /nfs/dbraw/zinc/56/38/25/532563825.db2.gz XEEWUGIPLNCRCQ-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1Cl ZINC000433351551 532564454 /nfs/dbraw/zinc/56/44/54/532564454.db2.gz HCUXNYMRYNEZDW-NEPJUHHUSA-N 1 2 381.325 2.377 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1Cl ZINC000433351551 532564458 /nfs/dbraw/zinc/56/44/58/532564458.db2.gz HCUXNYMRYNEZDW-NEPJUHHUSA-N 1 2 381.325 2.377 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000433359698 532565041 /nfs/dbraw/zinc/56/50/41/532565041.db2.gz BSSVFPVKROFYKU-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000433359698 532565051 /nfs/dbraw/zinc/56/50/51/532565051.db2.gz BSSVFPVKROFYKU-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO COc1ccc(Cl)cc1CS(=O)(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433355072 532565176 /nfs/dbraw/zinc/56/51/76/532565176.db2.gz PPEBNLDQMHQRGL-OKILXGFUSA-N 1 2 390.933 2.219 20 0 GEADLO COc1ccc(Cl)cc1CS(=O)(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433355072 532565185 /nfs/dbraw/zinc/56/51/85/532565185.db2.gz PPEBNLDQMHQRGL-OKILXGFUSA-N 1 2 390.933 2.219 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000433367345 532566034 /nfs/dbraw/zinc/56/60/34/532566034.db2.gz UKNXTAKBZVJMBQ-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000433367345 532566040 /nfs/dbraw/zinc/56/60/40/532566040.db2.gz UKNXTAKBZVJMBQ-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000433364631 532566056 /nfs/dbraw/zinc/56/60/56/532566056.db2.gz OIAMRHMILBMIOI-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000433364631 532566060 /nfs/dbraw/zinc/56/60/60/532566060.db2.gz OIAMRHMILBMIOI-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H]2CNS(=O)(=O)c2nc(C)c(C)s2)cc1 ZINC000528499672 532568233 /nfs/dbraw/zinc/56/82/33/532568233.db2.gz AOLNMDJQMUNIDO-HNNXBMFYSA-N 1 2 381.523 2.321 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H]2CNS(=O)(=O)c2nc(C)c(C)s2)cc1 ZINC000528499672 532568238 /nfs/dbraw/zinc/56/82/38/532568238.db2.gz AOLNMDJQMUNIDO-HNNXBMFYSA-N 1 2 381.523 2.321 20 0 GEADLO O=C(c1cc(O)cc(Br)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000528516058 532568499 /nfs/dbraw/zinc/56/84/99/532568499.db2.gz CIHJYCTZROOFAD-HNNXBMFYSA-N 1 2 383.286 2.482 20 0 GEADLO C[C@H](C(=O)Nc1ncccn1)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000283938279 532569017 /nfs/dbraw/zinc/56/90/17/532569017.db2.gz BCJACFOKLRVJTG-CYBMUJFWSA-N 1 2 390.285 2.388 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2cc(Br)c[nH]2)cn1 ZINC000565093086 532548182 /nfs/dbraw/zinc/54/81/82/532548182.db2.gz MNNLDDUTMWALCU-UHFFFAOYSA-N 1 2 377.246 2.050 20 0 GEADLO CC(C)[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000432932696 532549184 /nfs/dbraw/zinc/54/91/84/532549184.db2.gz QNTXTZCLEXUKLK-OAHLLOKOSA-N 1 2 380.432 2.029 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000283637664 532549435 /nfs/dbraw/zinc/54/94/35/532549435.db2.gz IQMBRKGMGQUKIH-OAHLLOKOSA-N 1 2 389.949 2.455 20 0 GEADLO O=C(NCCc1ccc(Br)cc1)NCC1([NH+]2CCOCC2)CC1 ZINC000433922279 532584257 /nfs/dbraw/zinc/58/42/57/532584257.db2.gz LLTKZRBOCBJLDC-UHFFFAOYSA-N 1 2 382.302 2.156 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cc1Cl ZINC000262072937 532584619 /nfs/dbraw/zinc/58/46/19/532584619.db2.gz SGXLAIDFPUVHAC-CYBMUJFWSA-N 1 2 386.930 2.131 20 0 GEADLO COCC[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000434503705 532595555 /nfs/dbraw/zinc/59/55/55/532595555.db2.gz IXBMBZVTGWKPDM-NSHDSACASA-N 1 2 382.345 2.394 20 0 GEADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000262142849 532585582 /nfs/dbraw/zinc/58/55/82/532585582.db2.gz ZGKXMROFMCIYJD-CYBMUJFWSA-N 1 2 375.281 2.062 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C1(S(=O)(=O)c2ccccc2)CC1)c1cccs1 ZINC000596069748 532585789 /nfs/dbraw/zinc/58/57/89/532585789.db2.gz ODOLYORYTACYAD-OAHLLOKOSA-N 1 2 378.519 2.474 20 0 GEADLO COCC[N@H+](Cc1ccc(Br)s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000434503705 532595560 /nfs/dbraw/zinc/59/55/60/532595560.db2.gz IXBMBZVTGWKPDM-NSHDSACASA-N 1 2 382.345 2.394 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(Br)s1 ZINC000434094343 532587708 /nfs/dbraw/zinc/58/77/08/532587708.db2.gz VHSMDUDVNBTYNO-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2csc(CO)n2)c2ccc(Cl)cc2)C1 ZINC000632222497 532591660 /nfs/dbraw/zinc/59/16/60/532591660.db2.gz ADCOQRNAIOTHCF-ZBFHGGJFSA-N 1 2 381.885 2.091 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2csc(CO)n2)c2ccc(Cl)cc2)C1 ZINC000632222497 532591665 /nfs/dbraw/zinc/59/16/65/532591665.db2.gz ADCOQRNAIOTHCF-ZBFHGGJFSA-N 1 2 381.885 2.091 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2OC)C[C@H]1C ZINC000250364247 532570780 /nfs/dbraw/zinc/57/07/80/532570780.db2.gz UMUXBIWVHYGORR-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2OC)C[C@H]1C ZINC000250364247 532570785 /nfs/dbraw/zinc/57/07/85/532570785.db2.gz UMUXBIWVHYGORR-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654884307 532572962 /nfs/dbraw/zinc/57/29/62/532572962.db2.gz LFCZYZASZFLWSA-UPJWGTAASA-N 1 2 398.301 2.002 20 0 GEADLO C[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654884307 532572971 /nfs/dbraw/zinc/57/29/71/532572971.db2.gz LFCZYZASZFLWSA-UPJWGTAASA-N 1 2 398.301 2.002 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCN(c2cccc(Br)c2)CC1 ZINC000284017500 532573883 /nfs/dbraw/zinc/57/38/83/532573883.db2.gz NHWRDYVXFFNXLV-UHFFFAOYSA-N 1 2 378.274 2.177 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000595815580 532574441 /nfs/dbraw/zinc/57/44/41/532574441.db2.gz GVSYSVPRIRMDKX-PXAZEXFGSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000595815580 532574443 /nfs/dbraw/zinc/57/44/43/532574443.db2.gz GVSYSVPRIRMDKX-PXAZEXFGSA-N 1 2 392.279 2.387 20 0 GEADLO CNC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)CCO1 ZINC000528628189 532575866 /nfs/dbraw/zinc/57/58/66/532575866.db2.gz JHOWZRWEULOKDA-GDBMZVCRSA-N 1 2 382.302 2.456 20 0 GEADLO CNC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(Br)cc32)CCO1 ZINC000528628189 532575868 /nfs/dbraw/zinc/57/58/68/532575868.db2.gz JHOWZRWEULOKDA-GDBMZVCRSA-N 1 2 382.302 2.456 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000375687689 532576315 /nfs/dbraw/zinc/57/63/15/532576315.db2.gz GTYAGZVNONMZBZ-ZFWWWQNUSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000375687689 532576319 /nfs/dbraw/zinc/57/63/19/532576319.db2.gz GTYAGZVNONMZBZ-ZFWWWQNUSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000375693667 532576813 /nfs/dbraw/zinc/57/68/13/532576813.db2.gz TYUNYYMWPJLMHV-LLVKDONJSA-N 1 2 377.482 2.288 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000375693667 532576817 /nfs/dbraw/zinc/57/68/17/532576817.db2.gz TYUNYYMWPJLMHV-LLVKDONJSA-N 1 2 377.482 2.288 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ncc1Br ZINC000375709694 532577995 /nfs/dbraw/zinc/57/79/95/532577995.db2.gz BHAYIWFLOCJOOF-NSHDSACASA-N 1 2 392.257 2.220 20 0 GEADLO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2csc(S(C)(=O)=O)c2)cc1 ZINC000284137591 532578236 /nfs/dbraw/zinc/57/82/36/532578236.db2.gz DCQQCOWXKJNJDN-OAHLLOKOSA-N 1 2 382.507 2.193 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000284162271 532579868 /nfs/dbraw/zinc/57/98/68/532579868.db2.gz ZOKIDWDRIQUNES-VXGBXAGGSA-N 1 2 379.258 2.028 20 0 GEADLO COc1cc(Br)c(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000433817239 532580330 /nfs/dbraw/zinc/58/03/30/532580330.db2.gz DPYRGSUWZRQGAM-SECBINFHSA-N 1 2 397.722 2.436 20 0 GEADLO COc1cc(Br)c(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000433817239 532580333 /nfs/dbraw/zinc/58/03/33/532580333.db2.gz DPYRGSUWZRQGAM-SECBINFHSA-N 1 2 397.722 2.436 20 0 GEADLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCSC2CCCCC2)CC1 ZINC000375740656 532580902 /nfs/dbraw/zinc/58/09/02/532580902.db2.gz BDVVWBMCKJBKGC-UHFFFAOYSA-N 1 2 377.572 2.495 20 0 GEADLO Cc1c(S(=O)(=O)NCCc2c[nH+]cn2C)cnn1-c1ccc(Cl)cc1 ZINC000565867873 532581627 /nfs/dbraw/zinc/58/16/27/532581627.db2.gz ICVBMBDLLMYSKL-UHFFFAOYSA-N 1 2 379.873 2.089 20 0 GEADLO Cc1ccsc1-c1nnc(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)o1 ZINC000528784644 532581835 /nfs/dbraw/zinc/58/18/35/532581835.db2.gz PYRLOSBKCKOJFR-PUXAFBORSA-N 1 2 380.495 2.030 20 0 GEADLO Cc1ccsc1-c1nnc(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)o1 ZINC000528784644 532581840 /nfs/dbraw/zinc/58/18/40/532581840.db2.gz PYRLOSBKCKOJFR-PUXAFBORSA-N 1 2 380.495 2.030 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)NCCc1cn2c([nH+]1)CCCC2 ZINC000376639563 532622066 /nfs/dbraw/zinc/62/20/66/532622066.db2.gz KFWUCYCMZIWMNI-UHFFFAOYSA-N 1 2 395.305 2.110 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)C(=O)NCc2c[nH+]cn2C)c1 ZINC000297985433 532615303 /nfs/dbraw/zinc/61/53/03/532615303.db2.gz MXLNMEORQBYOLB-HNNXBMFYSA-N 1 2 397.273 2.066 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000632501045 532615283 /nfs/dbraw/zinc/61/52/83/532615283.db2.gz IGIJIFXVXQNVSV-HUUCEWRRSA-N 1 2 376.881 2.257 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000632500804 532615475 /nfs/dbraw/zinc/61/54/75/532615475.db2.gz DHFSMXNVOVCMOT-HOTGVXAUSA-N 1 2 388.917 2.126 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000632500940 532615485 /nfs/dbraw/zinc/61/54/85/532615485.db2.gz GNINLQHNLMMPGV-JKSUJKDBSA-N 1 2 390.908 2.398 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2F)C[C@@H]1[NH+]1CCOCC1 ZINC000632500929 532615546 /nfs/dbraw/zinc/61/55/46/532615546.db2.gz GKAGYMUVCPSSHQ-KGLIPLIRSA-N 1 2 376.881 2.257 20 0 GEADLO COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263158393 532616396 /nfs/dbraw/zinc/61/63/96/532616396.db2.gz DQXSLJQIDYBPEA-GFCCVEGCSA-N 1 2 375.803 2.099 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2cnc3ccsc3c2)C[C@H]1[NH+]1CCOCC1 ZINC000632502953 532616467 /nfs/dbraw/zinc/61/64/67/532616467.db2.gz ZWXJLJJECHHSMT-HZPDHXFCSA-N 1 2 381.523 2.074 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)cc1Cl ZINC000632502836 532617400 /nfs/dbraw/zinc/61/74/00/532617400.db2.gz YXDABVPYDHUKIR-HZPDHXFCSA-N 1 2 388.917 2.126 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cscc1Br ZINC000632287656 532597159 /nfs/dbraw/zinc/59/71/59/532597159.db2.gz QPFCZMUSCFSBDE-UHFFFAOYSA-N 1 2 397.360 2.242 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cscc1Br ZINC000632287656 532597161 /nfs/dbraw/zinc/59/71/61/532597161.db2.gz QPFCZMUSCFSBDE-UHFFFAOYSA-N 1 2 397.360 2.242 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000376164264 532598499 /nfs/dbraw/zinc/59/84/99/532598499.db2.gz DYRDTUROSHTETA-GFCCVEGCSA-N 1 2 384.299 2.121 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000376164264 532598504 /nfs/dbraw/zinc/59/85/04/532598504.db2.gz DYRDTUROSHTETA-GFCCVEGCSA-N 1 2 384.299 2.121 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000655863006 532600849 /nfs/dbraw/zinc/60/08/49/532600849.db2.gz QLKMQKWJSCQZTH-OAHLLOKOSA-N 1 2 392.301 2.303 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)NCc2[nH+]ccn2C)c1 ZINC000297670815 532601818 /nfs/dbraw/zinc/60/18/18/532601818.db2.gz NTWXAJMDFHIPAV-CQSZACIVSA-N 1 2 397.273 2.066 20 0 GEADLO Cc1nc(Cl)c(Cl)cc1C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000376257170 532604387 /nfs/dbraw/zinc/60/43/87/532604387.db2.gz XHTCQQUERRLHPK-QGZVFWFLSA-N 1 2 388.295 2.308 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](NS(=O)(=O)CCCCF)c2ccc(Cl)cc2)C1 ZINC000376326810 532606834 /nfs/dbraw/zinc/60/68/34/532606834.db2.gz DESGMNXGSOASIG-HOTGVXAUSA-N 1 2 378.897 2.381 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](NS(=O)(=O)CCCCF)c2ccc(Cl)cc2)C1 ZINC000376326810 532606842 /nfs/dbraw/zinc/60/68/42/532606842.db2.gz DESGMNXGSOASIG-HOTGVXAUSA-N 1 2 378.897 2.381 20 0 GEADLO C[N@H+](CCS(C)(=O)=O)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529523496 532606990 /nfs/dbraw/zinc/60/69/90/532606990.db2.gz SDOMVFZARAMICH-UHFFFAOYSA-N 1 2 378.317 2.377 20 0 GEADLO C[N@@H+](CCS(C)(=O)=O)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529523496 532606994 /nfs/dbraw/zinc/60/69/94/532606994.db2.gz SDOMVFZARAMICH-UHFFFAOYSA-N 1 2 378.317 2.377 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@H](NS(=O)(=O)CCCCF)c2ccc(Cl)cc2)C1 ZINC000376326811 532607050 /nfs/dbraw/zinc/60/70/50/532607050.db2.gz DESGMNXGSOASIG-HZPDHXFCSA-N 1 2 378.897 2.381 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@H](NS(=O)(=O)CCCCF)c2ccc(Cl)cc2)C1 ZINC000376326811 532607054 /nfs/dbraw/zinc/60/70/54/532607054.db2.gz DESGMNXGSOASIG-HZPDHXFCSA-N 1 2 378.897 2.381 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262927182 532608134 /nfs/dbraw/zinc/60/81/34/532608134.db2.gz HMRGQPILJILFBQ-GFCCVEGCSA-N 1 2 390.228 2.152 20 0 GEADLO CC(C)[C@](C)([NH2+]Cc1nc(Cc2cccc(Br)c2)no1)C(N)=O ZINC000297785365 532608578 /nfs/dbraw/zinc/60/85/78/532608578.db2.gz WMUCOORTLXUWOP-INIZCTEOSA-N 1 2 381.274 2.413 20 0 GEADLO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2c(F)cc(F)cc2F)CC1 ZINC000474194241 532608944 /nfs/dbraw/zinc/60/89/44/532608944.db2.gz GTOTUDOPQPVPKI-UHFFFAOYSA-N 1 2 380.432 2.272 20 0 GEADLO CNC(=O)NC[C@@H]1C[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCO1 ZINC000529643580 532610015 /nfs/dbraw/zinc/61/00/15/532610015.db2.gz QQUYZWYAROEQDL-CQSZACIVSA-N 1 2 386.279 2.399 20 0 GEADLO CNC(=O)NC[C@@H]1C[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCO1 ZINC000529643580 532610021 /nfs/dbraw/zinc/61/00/21/532610021.db2.gz QQUYZWYAROEQDL-CQSZACIVSA-N 1 2 386.279 2.399 20 0 GEADLO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000656259583 532610291 /nfs/dbraw/zinc/61/02/91/532610291.db2.gz ARVNXNMIQCDKJA-HNNXBMFYSA-N 1 2 382.917 2.300 20 0 GEADLO Cc1nn(-c2ccccc2Cl)cc1C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000656259583 532610295 /nfs/dbraw/zinc/61/02/95/532610295.db2.gz ARVNXNMIQCDKJA-HNNXBMFYSA-N 1 2 382.917 2.300 20 0 GEADLO COCCc1noc(CC2CC[NH+](Cc3c(Br)cnn3C)CC2)n1 ZINC000529645283 532610391 /nfs/dbraw/zinc/61/03/91/532610391.db2.gz ZCXVUBVHLVZAQE-UHFFFAOYSA-N 1 2 398.305 2.209 20 0 GEADLO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000529666215 532610941 /nfs/dbraw/zinc/61/09/41/532610941.db2.gz UMOJRMDOFCGHKV-UHFFFAOYSA-N 1 2 388.295 2.172 20 0 GEADLO COc1c(Cl)cc(Cl)cc1C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000529666215 532610945 /nfs/dbraw/zinc/61/09/45/532610945.db2.gz UMOJRMDOFCGHKV-UHFFFAOYSA-N 1 2 388.295 2.172 20 0 GEADLO Cc1sc(C(=O)NCC2CC[NH+](CC(F)F)CC2)cc1CS(C)(=O)=O ZINC000566463720 532611385 /nfs/dbraw/zinc/61/13/85/532611385.db2.gz JZJOPNVNFUJMDM-UHFFFAOYSA-N 1 2 394.509 2.308 20 0 GEADLO FC(F)Oc1ccc(Br)cc1C[NH2+]Cc1nnc2n1CCOC2 ZINC000376461054 532613215 /nfs/dbraw/zinc/61/32/15/532613215.db2.gz YKRZEGRZEDECPC-UHFFFAOYSA-N 1 2 389.200 2.462 20 0 GEADLO CN(C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C1CCC(F)(F)CC1 ZINC000376645066 532623118 /nfs/dbraw/zinc/62/31/18/532623118.db2.gz VFBAHNVITFPQNY-MRXNPFEDSA-N 1 2 377.501 2.414 20 0 GEADLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1)Nc1ccccc1Br ZINC000566896542 532629588 /nfs/dbraw/zinc/62/95/88/532629588.db2.gz YTHMSHPCQPRWPF-ZENOOKHLSA-N 1 2 383.286 2.249 20 0 GEADLO O=C(C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1)Nc1ccccc1Br ZINC000566896542 532629590 /nfs/dbraw/zinc/62/95/90/532629590.db2.gz YTHMSHPCQPRWPF-ZENOOKHLSA-N 1 2 383.286 2.249 20 0 GEADLO Cc1sc(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000376796315 532629695 /nfs/dbraw/zinc/62/96/95/532629695.db2.gz MBYBXSAPQLMXCE-ZETCQYMHSA-N 1 2 375.260 2.047 20 0 GEADLO COCCC(=O)N1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC1 ZINC000475157984 532638316 /nfs/dbraw/zinc/63/83/16/532638316.db2.gz VLZJWQCZRKNPRV-UHFFFAOYSA-N 1 2 395.301 2.086 20 0 GEADLO Cc1cccc(I)c1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000532156615 532646426 /nfs/dbraw/zinc/64/64/26/532646426.db2.gz OUSGYVWMRHZSKM-GFCCVEGCSA-N 1 2 388.249 2.050 20 0 GEADLO Cc1cccc(I)c1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000532156615 532646432 /nfs/dbraw/zinc/64/64/32/532646432.db2.gz OUSGYVWMRHZSKM-GFCCVEGCSA-N 1 2 388.249 2.050 20 0 GEADLO O=S(=O)(Cc1cc(F)ccc1Br)N1CC[NH+](C2CC2)CC1 ZINC000656887059 532639433 /nfs/dbraw/zinc/63/94/33/532639433.db2.gz RJMOPNZDHZHPIQ-UHFFFAOYSA-N 1 2 377.279 2.198 20 0 GEADLO CC(C)(CNS(=O)(=O)c1cccc(Br)c1F)n1cc[nH+]c1 ZINC000632732660 532642234 /nfs/dbraw/zinc/64/22/34/532642234.db2.gz FQXQFHMVEYGZNE-UHFFFAOYSA-N 1 2 376.251 2.498 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)CCc1ccccc1Cl)[NH+]1CCN(C)CC1 ZINC000656916427 532644881 /nfs/dbraw/zinc/64/48/81/532644881.db2.gz CCVZGJXVTYNERA-GOSISDBHSA-N 1 2 387.977 2.074 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c2[nH+]ccn21 ZINC000567229568 532645282 /nfs/dbraw/zinc/64/52/82/532645282.db2.gz HOYSXULNTUPVJT-NXEZZACHSA-N 1 2 388.902 2.041 20 0 GEADLO O=C(CSc1ccc(Cl)cc1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478958200 532661961 /nfs/dbraw/zinc/66/19/61/532661961.db2.gz QURXPQZENRUMIJ-INIZCTEOSA-N 1 2 384.929 2.382 20 0 GEADLO CC(C)C[C@H](CNS(=O)(=O)Cc1cccc(F)c1F)[NH+]1CCOCC1 ZINC000567768351 532662003 /nfs/dbraw/zinc/66/20/03/532662003.db2.gz LLNBYCLVMOTNAG-OAHLLOKOSA-N 1 2 376.469 2.131 20 0 GEADLO CCOC(=O)Cn1nc(C)c(CNc2cc(OC)c(Br)c[nH+]2)c1C ZINC000437785310 532663549 /nfs/dbraw/zinc/66/35/49/532663549.db2.gz LTZCRRFOUVKNLU-UHFFFAOYSA-N 1 2 397.273 2.841 20 0 GEADLO NC(=O)[C@H]1C[N@@H+]([C@H](Cc2ccccn2)c2ccc(Br)cc2)CCO1 ZINC000377629750 532665224 /nfs/dbraw/zinc/66/52/24/532665224.db2.gz SPCVYKCUCHSWSZ-IAGOWNOFSA-N 1 2 390.281 2.314 20 0 GEADLO NC(=O)[C@H]1C[N@H+]([C@H](Cc2ccccn2)c2ccc(Br)cc2)CCO1 ZINC000377629750 532665229 /nfs/dbraw/zinc/66/52/29/532665229.db2.gz SPCVYKCUCHSWSZ-IAGOWNOFSA-N 1 2 390.281 2.314 20 0 GEADLO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000567862200 532666638 /nfs/dbraw/zinc/66/66/38/532666638.db2.gz SUPXAGFRWUSFJM-CQSZACIVSA-N 1 2 379.295 2.388 20 0 GEADLO COC(=O)c1cc(Br)ccc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000377755811 532668336 /nfs/dbraw/zinc/66/83/36/532668336.db2.gz LCUVFKPSQZXNFH-UHFFFAOYSA-N 1 2 379.214 2.480 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000437160623 532651159 /nfs/dbraw/zinc/65/11/59/532651159.db2.gz ALWBVUJZDLTYOP-UHFFFAOYSA-N 1 2 380.198 2.439 20 0 GEADLO COCCc1noc(C[S@@](=O)Cc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000437172761 532651673 /nfs/dbraw/zinc/65/16/73/532651673.db2.gz SRQDYXKEAUXBQH-QHCPKHFHSA-N 1 2 399.270 2.118 20 0 GEADLO CN(Cc1ccccc1)C(=O)CNc1[nH+]cnc2c1c(Br)nn2C ZINC000263950216 532652015 /nfs/dbraw/zinc/65/20/15/532652015.db2.gz IUCJDOIRGGFHCB-UHFFFAOYSA-N 1 2 389.257 2.196 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000263959701 532652238 /nfs/dbraw/zinc/65/22/38/532652238.db2.gz JRENFAQOHIUDTP-CQSZACIVSA-N 1 2 384.889 2.294 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000263959701 532652244 /nfs/dbraw/zinc/65/22/44/532652244.db2.gz JRENFAQOHIUDTP-CQSZACIVSA-N 1 2 384.889 2.294 20 0 GEADLO COc1ccc([C@H](O)CNc2[nH+]cnc3c2c(Br)nn3C)cc1 ZINC000263958137 532652264 /nfs/dbraw/zinc/65/22/64/532652264.db2.gz NFERMEBYTMZRDD-LLVKDONJSA-N 1 2 378.230 2.280 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000263959119 532652492 /nfs/dbraw/zinc/65/24/92/532652492.db2.gz NZQKCTGBHNEONB-MRVPVSSYSA-N 1 2 393.211 2.422 20 0 GEADLO CC(C)C[C@@H](CNS(=O)(=O)c1cnc2ccsc2c1)[NH+]1CCOCC1 ZINC000437237098 532652800 /nfs/dbraw/zinc/65/28/00/532652800.db2.gz YGAFVXOUCQEKAO-AWEZNQCLSA-N 1 2 383.539 2.322 20 0 GEADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@@H]1CC[S@@](=O)C1 ZINC000532400600 532653320 /nfs/dbraw/zinc/65/33/20/532653320.db2.gz LCKFXASSLYJZNA-GDDWWATRSA-N 1 2 387.908 2.436 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000632994466 532654279 /nfs/dbraw/zinc/65/42/79/532654279.db2.gz AYUHLOOMECOORV-LBPRGKRZSA-N 1 2 378.826 2.404 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000632994466 532654283 /nfs/dbraw/zinc/65/42/83/532654283.db2.gz AYUHLOOMECOORV-LBPRGKRZSA-N 1 2 378.826 2.404 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000532711285 532654752 /nfs/dbraw/zinc/65/47/52/532654752.db2.gz ICTOTFFMUQSLQI-PWSUYJOCSA-N 1 2 394.324 2.334 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000532711285 532654756 /nfs/dbraw/zinc/65/47/56/532654756.db2.gz ICTOTFFMUQSLQI-PWSUYJOCSA-N 1 2 394.324 2.334 20 0 GEADLO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1[nH+]ccn1C ZINC000264262872 532669034 /nfs/dbraw/zinc/66/90/34/532669034.db2.gz DJGKSIQQUAOVRA-AWEZNQCLSA-N 1 2 380.901 2.241 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CCc1ccccc1Cl)C(C)(C)CO ZINC000657000978 532656814 /nfs/dbraw/zinc/65/68/14/532656814.db2.gz CNPWCDBZTWPRPH-OAHLLOKOSA-N 1 2 385.917 2.295 20 0 GEADLO O=C(C[NH+]1CCN(Cc2cc(Br)ccc2F)CC1)NCC1CC1 ZINC000478189148 532657472 /nfs/dbraw/zinc/65/74/72/532657472.db2.gz AAHKANNXLALEEG-UHFFFAOYSA-N 1 2 384.293 2.232 20 0 GEADLO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)nn1 ZINC000535626750 532684723 /nfs/dbraw/zinc/68/47/23/532684723.db2.gz QMULOFVNCPSUMA-UHFFFAOYSA-N 1 2 378.274 2.428 20 0 GEADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cnn4cc(Br)cnc34)[C@H]2C1 ZINC000638180058 532684927 /nfs/dbraw/zinc/68/49/27/532684927.db2.gz LAPBTUXWOAESAC-ILXRZTDVSA-N 1 2 381.274 2.260 20 0 GEADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cnn4cc(Br)cnc34)[C@H]2C1 ZINC000638180058 532684932 /nfs/dbraw/zinc/68/49/32/532684932.db2.gz LAPBTUXWOAESAC-ILXRZTDVSA-N 1 2 381.274 2.260 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc(F)cc(Br)c2)[C@H](C)CO1 ZINC000663765531 532685767 /nfs/dbraw/zinc/68/57/67/532685767.db2.gz FQHFLLJXBXNQIM-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(F)cc(Br)c2)[C@H](C)CO1 ZINC000663765531 532685773 /nfs/dbraw/zinc/68/57/73/532685773.db2.gz FQHFLLJXBXNQIM-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO O=S(=O)(c1ccc(F)c(Br)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000439245291 532686005 /nfs/dbraw/zinc/68/60/05/532686005.db2.gz JCDMABZTDAAXSN-NSHDSACASA-N 1 2 377.279 2.447 20 0 GEADLO O=S(=O)(c1ccc(F)c(Br)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000439245291 532686010 /nfs/dbraw/zinc/68/60/10/532686010.db2.gz JCDMABZTDAAXSN-NSHDSACASA-N 1 2 377.279 2.447 20 0 GEADLO Cc1sc2nc([C@@H](C)[N@@H+]3CCC[C@@H](CS(N)(=O)=O)C3)[nH]c(=O)c2c1C ZINC000264999690 532686152 /nfs/dbraw/zinc/68/61/52/532686152.db2.gz DOJDDGGPHHXKGH-ZYHUDNBSSA-N 1 2 384.527 2.075 20 0 GEADLO Cc1sc2nc([C@@H](C)[N@H+]3CCC[C@@H](CS(N)(=O)=O)C3)[nH]c(=O)c2c1C ZINC000264999690 532686157 /nfs/dbraw/zinc/68/61/57/532686157.db2.gz DOJDDGGPHHXKGH-ZYHUDNBSSA-N 1 2 384.527 2.075 20 0 GEADLO CSCCCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000568786564 532686539 /nfs/dbraw/zinc/68/65/39/532686539.db2.gz HNMDCHQPVQTDDK-AWEZNQCLSA-N 1 2 383.945 2.415 20 0 GEADLO O=S(=O)(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cc(F)ccc1Cl ZINC000660033993 532672317 /nfs/dbraw/zinc/67/23/17/532672317.db2.gz FAFQOMZIPQICPW-HZPDHXFCSA-N 1 2 388.892 2.401 20 0 GEADLO O=S(=O)(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccc(Cl)s1 ZINC000660033961 532672414 /nfs/dbraw/zinc/67/24/14/532672414.db2.gz DIIQQNZNGOTDER-VXGBXAGGSA-N 1 2 376.931 2.323 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000377918812 532673072 /nfs/dbraw/zinc/67/30/72/532673072.db2.gz JYOWGWQYYLWONJ-BXUZGUMPSA-N 1 2 386.279 2.254 20 0 GEADLO CCc1c[nH]c(CC(=O)NCCC(=O)Nc2ccc(Br)cc2)[nH+]1 ZINC000635396001 532673192 /nfs/dbraw/zinc/67/31/92/532673192.db2.gz XKRRHJUZYKZAPK-UHFFFAOYSA-N 1 2 379.258 2.422 20 0 GEADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000534863659 532673445 /nfs/dbraw/zinc/67/34/45/532673445.db2.gz NPCJURLJLRWOLV-KRWDZBQOSA-N 1 2 397.313 2.397 20 0 GEADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000534863659 532673452 /nfs/dbraw/zinc/67/34/52/532673452.db2.gz NPCJURLJLRWOLV-KRWDZBQOSA-N 1 2 397.313 2.397 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(I)c(Cl)c1 ZINC000600423001 532675169 /nfs/dbraw/zinc/67/51/69/532675169.db2.gz YSUMAEPVDKVFOJ-SNVBAGLBSA-N 1 2 394.640 2.005 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(I)c(Cl)c1 ZINC000600423001 532675172 /nfs/dbraw/zinc/67/51/72/532675172.db2.gz YSUMAEPVDKVFOJ-SNVBAGLBSA-N 1 2 394.640 2.005 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CSCc1ccc(Br)cc1F ZINC000600420972 532675318 /nfs/dbraw/zinc/67/53/18/532675318.db2.gz MJXRDSQNQHHHCT-CYBMUJFWSA-N 1 2 391.306 2.268 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)CSCc1ccc(Br)cc1F ZINC000600420972 532675324 /nfs/dbraw/zinc/67/53/24/532675324.db2.gz MJXRDSQNQHHHCT-CYBMUJFWSA-N 1 2 391.306 2.268 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)Nc1cccc(Cl)c1 ZINC000568283870 532675536 /nfs/dbraw/zinc/67/55/36/532675536.db2.gz CLDRTYQKCOENMX-ZDUSSCGKSA-N 1 2 385.917 2.072 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)Nc1cccc(Cl)c1 ZINC000568283870 532675544 /nfs/dbraw/zinc/67/55/44/532675544.db2.gz CLDRTYQKCOENMX-ZDUSSCGKSA-N 1 2 385.917 2.072 20 0 GEADLO OCC1([N@H+](Cc2nnnn2-c2ccccc2Br)C2CC2)CCC1 ZINC000660787448 532675811 /nfs/dbraw/zinc/67/58/11/532675811.db2.gz SLXATGMFWLWXEW-UHFFFAOYSA-N 1 2 378.274 2.304 20 0 GEADLO OCC1([N@@H+](Cc2nnnn2-c2ccccc2Br)C2CC2)CCC1 ZINC000660787448 532675815 /nfs/dbraw/zinc/67/58/15/532675815.db2.gz SLXATGMFWLWXEW-UHFFFAOYSA-N 1 2 378.274 2.304 20 0 GEADLO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1Br ZINC000484272922 532676716 /nfs/dbraw/zinc/67/67/16/532676716.db2.gz RBHDDTBWMOGBOF-SNVBAGLBSA-N 1 2 395.232 2.163 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000298819910 532676888 /nfs/dbraw/zinc/67/68/88/532676888.db2.gz YBWGMBMDWKUNTL-SECBINFHSA-N 1 2 389.235 2.213 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000298819910 532676895 /nfs/dbraw/zinc/67/68/95/532676895.db2.gz YBWGMBMDWKUNTL-SECBINFHSA-N 1 2 389.235 2.213 20 0 GEADLO C[N@@H+](Cc1n[nH]c(=O)o1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000660850233 532677583 /nfs/dbraw/zinc/67/75/83/532677583.db2.gz SYBXPMWQWBKIAD-SECBINFHSA-N 1 2 392.637 2.063 20 0 GEADLO C[N@H+](Cc1n[nH]c(=O)o1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000660850233 532677586 /nfs/dbraw/zinc/67/75/86/532677586.db2.gz SYBXPMWQWBKIAD-SECBINFHSA-N 1 2 392.637 2.063 20 0 GEADLO C[C@H]1CCN(C(=O)NCc2c(Br)cnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000637632818 532678320 /nfs/dbraw/zinc/67/83/20/532678320.db2.gz QPTXINBVMVHUSX-FZMZJTMJSA-N 1 2 381.278 2.172 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000535239916 532678937 /nfs/dbraw/zinc/67/89/37/532678937.db2.gz RGILRMBUXABEIJ-JTQLQIEISA-N 1 2 395.232 2.276 20 0 GEADLO C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cn1 ZINC000661108986 532679057 /nfs/dbraw/zinc/67/90/57/532679057.db2.gz SFHQLDGGICYOJT-TZMCWYRMSA-N 1 2 383.290 2.021 20 0 GEADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCN1C(=O)CN(C)C1=O ZINC000661516350 532679931 /nfs/dbraw/zinc/67/99/31/532679931.db2.gz ASOOUWIVFLUWDR-WBMJQRKESA-N 1 2 396.285 2.105 20 0 GEADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCN1C(=O)CN(C)C1=O ZINC000661516350 532679940 /nfs/dbraw/zinc/67/99/40/532679940.db2.gz ASOOUWIVFLUWDR-WBMJQRKESA-N 1 2 396.285 2.105 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000569257422 532693291 /nfs/dbraw/zinc/69/32/91/532693291.db2.gz XCYJEGKGABSYBR-JSGCOSHPSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000569257422 532693299 /nfs/dbraw/zinc/69/32/99/532693299.db2.gz XCYJEGKGABSYBR-JSGCOSHPSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@@H]1[C@H](C)N(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC[N@H+]1C ZINC000536597866 532694431 /nfs/dbraw/zinc/69/44/31/532694431.db2.gz HRWLWBYAIDXESA-KGLIPLIRSA-N 1 2 385.555 2.087 20 0 GEADLO C[C@@H]1[C@H](C)N(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC[N@@H+]1C ZINC000536597866 532694439 /nfs/dbraw/zinc/69/44/39/532694439.db2.gz HRWLWBYAIDXESA-KGLIPLIRSA-N 1 2 385.555 2.087 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439439694 532694699 /nfs/dbraw/zinc/69/46/99/532694699.db2.gz MUNFHUVNUPMCFA-UKRRQHHQSA-N 1 2 390.249 2.355 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439439694 532694705 /nfs/dbraw/zinc/69/47/05/532694705.db2.gz MUNFHUVNUPMCFA-UKRRQHHQSA-N 1 2 390.249 2.355 20 0 GEADLO COc1ccc(NC(=O)C(=O)Nc2c[nH+]ccc2OC)cc1Br ZINC000439548985 532696095 /nfs/dbraw/zinc/69/60/95/532696095.db2.gz JKMXYLZJSYSUDT-UHFFFAOYSA-N 1 2 380.198 2.439 20 0 GEADLO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000285665409 532696960 /nfs/dbraw/zinc/69/69/60/532696960.db2.gz PJZGCIYZQLOTKF-WFASDCNBSA-N 1 2 391.331 2.102 20 0 GEADLO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCS(=O)(=O)N(C)C ZINC000285665409 532696967 /nfs/dbraw/zinc/69/69/67/532696967.db2.gz PJZGCIYZQLOTKF-WFASDCNBSA-N 1 2 391.331 2.102 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)s1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378521138 532697791 /nfs/dbraw/zinc/69/77/91/532697791.db2.gz YGJMBTQCFPRWAR-VIFPVBQESA-N 1 2 383.271 2.327 20 0 GEADLO CN1CC[NH+](Cc2cccc(NC(=O)Cn3cc(Br)cn3)c2)CC1 ZINC000299155941 532699108 /nfs/dbraw/zinc/69/91/08/532699108.db2.gz OYVFKALGBOCWEP-UHFFFAOYSA-N 1 2 392.301 2.032 20 0 GEADLO CN1C(=O)CSC12CC[NH+](CC(=O)Nc1ccc(Br)cc1)CC2 ZINC000378624595 532699751 /nfs/dbraw/zinc/69/97/51/532699751.db2.gz SRIQIXDPOUKYOK-UHFFFAOYSA-N 1 2 398.326 2.385 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000666691115 532700831 /nfs/dbraw/zinc/70/08/31/532700831.db2.gz VXZVDANEAKSUHQ-SNVBAGLBSA-N 1 2 380.246 2.282 20 0 GEADLO O=C(NCCn1cc[nH+]c1)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000439752672 532700992 /nfs/dbraw/zinc/70/09/92/532700992.db2.gz XVKZFVSMEWPALK-UHFFFAOYSA-N 1 2 389.612 2.193 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000666689968 532701155 /nfs/dbraw/zinc/70/11/55/532701155.db2.gz IUINYTLEUGWTJK-UHFFFAOYSA-N 1 2 391.269 2.285 20 0 GEADLO COC[C@](C)(O)C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000382544468 532701415 /nfs/dbraw/zinc/70/14/15/532701415.db2.gz CJJMXYAVLFDYDJ-GFCCVEGCSA-N 1 2 383.080 2.404 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000378270630 532687481 /nfs/dbraw/zinc/68/74/81/532687481.db2.gz SRYKWTMXTAPCGK-NSHDSACASA-N 1 2 383.857 2.023 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)Cn1cc(Br)cn1)c1c(F)cccc1F ZINC000265215811 532689376 /nfs/dbraw/zinc/68/93/76/532689376.db2.gz BWHCZKMXMZXUNR-ZDUSSCGKSA-N 1 2 387.228 2.343 20 0 GEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000536129934 532689838 /nfs/dbraw/zinc/68/98/38/532689838.db2.gz SLBAQSIJZPUSKF-RYUDHWBXSA-N 1 2 390.347 2.228 20 0 GEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000536129934 532689845 /nfs/dbraw/zinc/68/98/45/532689845.db2.gz SLBAQSIJZPUSKF-RYUDHWBXSA-N 1 2 390.347 2.228 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000285546776 532690691 /nfs/dbraw/zinc/69/06/91/532690691.db2.gz RAYVOKVAXIHVFS-UHFFFAOYSA-N 1 2 379.931 2.191 20 0 GEADLO CC(C)[C@@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCO1 ZINC000639212284 532690893 /nfs/dbraw/zinc/69/08/93/532690893.db2.gz CFOHZFSIONJBPK-AWEZNQCLSA-N 1 2 391.331 2.343 20 0 GEADLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCO1 ZINC000639212284 532690899 /nfs/dbraw/zinc/69/08/99/532690899.db2.gz CFOHZFSIONJBPK-AWEZNQCLSA-N 1 2 391.331 2.343 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cncc(C(F)(F)F)c1 ZINC000569732592 532705715 /nfs/dbraw/zinc/70/57/15/532705715.db2.gz MSZVLRHDWHVOHE-HNNXBMFYSA-N 1 2 375.416 2.038 20 0 GEADLO COCC[N@H+](Cc1scnc1C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000489484454 532706195 /nfs/dbraw/zinc/70/61/95/532706195.db2.gz UMEJKPHFTFWSBS-UHFFFAOYSA-N 1 2 383.539 2.350 20 0 GEADLO COCC[N@@H+](Cc1scnc1C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000489484454 532706202 /nfs/dbraw/zinc/70/62/02/532706202.db2.gz UMEJKPHFTFWSBS-UHFFFAOYSA-N 1 2 383.539 2.350 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667746179 532707655 /nfs/dbraw/zinc/70/76/55/532707655.db2.gz NXKLCRQNHSTLSU-NSHDSACASA-N 1 2 391.269 2.340 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667746179 532707661 /nfs/dbraw/zinc/70/76/61/532707661.db2.gz NXKLCRQNHSTLSU-NSHDSACASA-N 1 2 391.269 2.340 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000285830231 532711668 /nfs/dbraw/zinc/71/16/68/532711668.db2.gz HESBDZDZXBIGIM-NWDGAFQWSA-N 1 2 397.273 2.387 20 0 GEADLO CN(CCc1cccc(Br)c1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494216410 532714489 /nfs/dbraw/zinc/71/44/89/532714489.db2.gz OGQFBNWLVXZTGJ-KRWDZBQOSA-N 1 2 396.329 2.496 20 0 GEADLO CN(CCc1cccc(Br)c1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494216410 532714494 /nfs/dbraw/zinc/71/44/94/532714494.db2.gz OGQFBNWLVXZTGJ-KRWDZBQOSA-N 1 2 396.329 2.496 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000408253073 532715141 /nfs/dbraw/zinc/71/51/41/532715141.db2.gz DUFVEPIWSNKNFR-UHFFFAOYSA-N 1 2 379.309 2.215 20 0 GEADLO CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]2CS(=O)(=O)NC)cc1OC ZINC000538762057 532718371 /nfs/dbraw/zinc/71/83/71/532718371.db2.gz UVSPZWMSYGJTRZ-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO CS(=O)(=O)CC1(C[N@H+](CCO)Cc2cc(Br)cs2)CC1 ZINC000494280238 532716205 /nfs/dbraw/zinc/71/62/05/532716205.db2.gz SMOUCBLDCGQFRQ-UHFFFAOYSA-N 1 2 382.345 2.130 20 0 GEADLO CS(=O)(=O)CC1(C[N@@H+](CCO)Cc2cc(Br)cs2)CC1 ZINC000494280238 532716211 /nfs/dbraw/zinc/71/62/11/532716211.db2.gz SMOUCBLDCGQFRQ-UHFFFAOYSA-N 1 2 382.345 2.130 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@@H](NS(=O)(=O)c3ccsc3)C2)cc(OC)c1 ZINC000285874528 532716201 /nfs/dbraw/zinc/71/62/01/532716201.db2.gz FIDFYHNZIIMXDC-CQSZACIVSA-N 1 2 382.507 2.318 20 0 GEADLO COc1cc(C[N@H+]2CC[C@@H](NS(=O)(=O)c3ccsc3)C2)cc(OC)c1 ZINC000285874528 532716208 /nfs/dbraw/zinc/71/62/08/532716208.db2.gz FIDFYHNZIIMXDC-CQSZACIVSA-N 1 2 382.507 2.318 20 0 GEADLO CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]2CS(=O)(=O)NC)cc1OC ZINC000538762057 532718382 /nfs/dbraw/zinc/71/83/82/532718382.db2.gz UVSPZWMSYGJTRZ-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)COc1cccc(I)c1 ZINC000494317648 532717154 /nfs/dbraw/zinc/71/71/54/532717154.db2.gz WVDQYGZJMHFPFZ-LLVKDONJSA-N 1 2 385.205 2.071 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000538851469 532721009 /nfs/dbraw/zinc/72/10/09/532721009.db2.gz NORHVEQTALQSRT-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000538851469 532721011 /nfs/dbraw/zinc/72/10/11/532721011.db2.gz NORHVEQTALQSRT-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO C[N@H+](CC(=O)NCc1cccs1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000497414326 532723136 /nfs/dbraw/zinc/72/31/36/532723136.db2.gz CRYZIYOUTCRTIV-UHFFFAOYSA-N 1 2 376.869 2.158 20 0 GEADLO C[N@@H+](CC(=O)NCc1cccs1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000497414326 532723140 /nfs/dbraw/zinc/72/31/40/532723140.db2.gz CRYZIYOUTCRTIV-UHFFFAOYSA-N 1 2 376.869 2.158 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C1 ZINC000613010742 532723955 /nfs/dbraw/zinc/72/39/55/532723955.db2.gz YUOIWCKSPRRIDD-VIFPVBQESA-N 1 2 390.241 2.394 20 0 GEADLO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2ncnn2C)C1=O ZINC000671658876 532724068 /nfs/dbraw/zinc/72/40/68/532724068.db2.gz NCBKPGXCDDEFKM-CQSZACIVSA-N 1 2 392.301 2.480 20 0 GEADLO CS[C@@H](C)CCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000539153110 532725675 /nfs/dbraw/zinc/72/56/75/532725675.db2.gz RRLPUUFWOGDEDV-AWEZNQCLSA-N 1 2 385.555 2.093 20 0 GEADLO O=C(N[C@@H]1CCSC1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000266842355 532726984 /nfs/dbraw/zinc/72/69/84/532726984.db2.gz XACWXLZSVUHNTO-CQSZACIVSA-N 1 2 379.917 2.320 20 0 GEADLO CNC(=O)C[N@H+](C)[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000286076578 532727503 /nfs/dbraw/zinc/72/75/03/532727503.db2.gz SSBWCOJBMPOBSZ-CQSZACIVSA-N 1 2 382.302 2.239 20 0 GEADLO CNC(=O)C[N@@H+](C)[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000286076578 532727507 /nfs/dbraw/zinc/72/75/07/532727507.db2.gz SSBWCOJBMPOBSZ-CQSZACIVSA-N 1 2 382.302 2.239 20 0 GEADLO O=C(CCn1cc[nH+]c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000299574720 532727719 /nfs/dbraw/zinc/72/77/19/532727719.db2.gz IJWSTSUDPGRHOR-UHFFFAOYSA-N 1 2 382.873 2.350 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000286077141 532727757 /nfs/dbraw/zinc/72/77/57/532727757.db2.gz SEOPRCQZONOTBS-IFIJOSMWSA-N 1 2 387.293 2.417 20 0 GEADLO Cc1nnc(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)s1 ZINC000613153542 532728189 /nfs/dbraw/zinc/72/81/89/532728189.db2.gz DIOZYCZKXQOKLM-PBHICJAKSA-N 1 2 380.901 2.231 20 0 GEADLO Cc1nnc(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)s1 ZINC000613153542 532728196 /nfs/dbraw/zinc/72/81/96/532728196.db2.gz DIOZYCZKXQOKLM-PBHICJAKSA-N 1 2 380.901 2.231 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000499933516 532729974 /nfs/dbraw/zinc/72/99/74/532729974.db2.gz VMKKTAROPIBRHC-SNVBAGLBSA-N 1 2 375.803 2.085 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000499933516 532729981 /nfs/dbraw/zinc/72/99/81/532729981.db2.gz VMKKTAROPIBRHC-SNVBAGLBSA-N 1 2 375.803 2.085 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(Br)c1OC ZINC000286125746 532730334 /nfs/dbraw/zinc/73/03/34/532730334.db2.gz WVQVHDLJBAMWEQ-NEPJUHHUSA-N 1 2 384.274 2.064 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(Br)c1OC ZINC000286125746 532730336 /nfs/dbraw/zinc/73/03/36/532730336.db2.gz WVQVHDLJBAMWEQ-NEPJUHHUSA-N 1 2 384.274 2.064 20 0 GEADLO C[N@@H+]1CCc2ncnc(NCCNC(=O)c3cccc(Br)c3)c2C1 ZINC000299614046 532730582 /nfs/dbraw/zinc/73/05/82/532730582.db2.gz OWJBAVGJYITCQI-UHFFFAOYSA-N 1 2 390.285 2.069 20 0 GEADLO C[N@H+]1CCc2ncnc(NCCNC(=O)c3cccc(Br)c3)c2C1 ZINC000299614046 532730586 /nfs/dbraw/zinc/73/05/86/532730586.db2.gz OWJBAVGJYITCQI-UHFFFAOYSA-N 1 2 390.285 2.069 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000266973939 532730860 /nfs/dbraw/zinc/73/08/60/532730860.db2.gz APHJLDQBVOWCNS-RHSMWYFYSA-N 1 2 386.945 2.491 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000266973939 532730866 /nfs/dbraw/zinc/73/08/66/532730866.db2.gz APHJLDQBVOWCNS-RHSMWYFYSA-N 1 2 386.945 2.491 20 0 GEADLO COC(=O)[C@H]1CC[C@@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000286173462 532732306 /nfs/dbraw/zinc/73/23/06/532732306.db2.gz UIPBRLASCKMMFV-STQMWFEESA-N 1 2 380.242 2.221 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3N=NC(=S)N3C)n2)C1 ZINC000267035138 532732436 /nfs/dbraw/zinc/73/24/36/532732436.db2.gz GRRBEFNVQDLAQM-JTQLQIEISA-N 1 2 381.531 2.114 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3N=NC(=S)N3C)n2)C1 ZINC000267035138 532732440 /nfs/dbraw/zinc/73/24/40/532732440.db2.gz GRRBEFNVQDLAQM-JTQLQIEISA-N 1 2 381.531 2.114 20 0 GEADLO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)Cn1cccn1 ZINC000502863943 532742387 /nfs/dbraw/zinc/74/23/87/532742387.db2.gz SFRFEDCSCWCBKI-MRXNPFEDSA-N 1 2 385.295 2.189 20 0 GEADLO CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)Cn1cccn1 ZINC000502863943 532742392 /nfs/dbraw/zinc/74/23/92/532742392.db2.gz SFRFEDCSCWCBKI-MRXNPFEDSA-N 1 2 385.295 2.189 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)ccc1Br ZINC000579717198 532743237 /nfs/dbraw/zinc/74/32/37/532743237.db2.gz AJPCCKATLQRLJE-SNVBAGLBSA-N 1 2 383.258 2.281 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCS[C@@H](C)CC2)CC1 ZINC000410946729 532744723 /nfs/dbraw/zinc/74/47/23/532744723.db2.gz PJMDQGYAPRTGHX-LSDHHAIUSA-N 1 2 381.567 2.307 20 0 GEADLO CCNC(=O)CN1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301197918 532745094 /nfs/dbraw/zinc/74/50/94/532745094.db2.gz VBETZNSURXDALX-UHFFFAOYSA-N 1 2 377.286 2.255 20 0 GEADLO C[C@H](NC(=O)C[N@H+](C)Cc1cccc(Br)c1)C(=O)N1CCCCC1 ZINC000615118241 532745693 /nfs/dbraw/zinc/74/56/93/532745693.db2.gz PAUHFPHAYNZNBN-AWEZNQCLSA-N 1 2 396.329 2.398 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](C)Cc1cccc(Br)c1)C(=O)N1CCCCC1 ZINC000615118241 532745700 /nfs/dbraw/zinc/74/57/00/532745700.db2.gz PAUHFPHAYNZNBN-AWEZNQCLSA-N 1 2 396.329 2.398 20 0 GEADLO NS(=O)(=O)c1cnc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)s1 ZINC000301241686 532746198 /nfs/dbraw/zinc/74/61/98/532746198.db2.gz JWVKYFJARPTUMJ-SNVBAGLBSA-N 1 2 388.465 2.145 20 0 GEADLO NS(=O)(=O)c1cnc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)s1 ZINC000301241686 532746205 /nfs/dbraw/zinc/74/62/05/532746205.db2.gz JWVKYFJARPTUMJ-SNVBAGLBSA-N 1 2 388.465 2.145 20 0 GEADLO O=C(NCc1cc(Br)cs1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000580458632 532746953 /nfs/dbraw/zinc/74/69/53/532746953.db2.gz YCJREFJLFGITQQ-UHFFFAOYSA-N 1 2 393.266 2.091 20 0 GEADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000500679812 532732926 /nfs/dbraw/zinc/73/29/26/532732926.db2.gz NSTXLWFDENIAPE-CQSZACIVSA-N 1 2 398.345 2.343 20 0 GEADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000500679812 532732929 /nfs/dbraw/zinc/73/29/29/532732929.db2.gz NSTXLWFDENIAPE-CQSZACIVSA-N 1 2 398.345 2.343 20 0 GEADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613634266 532733592 /nfs/dbraw/zinc/73/35/92/532733592.db2.gz HVYHFUAMYLTGSS-RISCZKNCSA-N 1 2 384.889 2.465 20 0 GEADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613634266 532733597 /nfs/dbraw/zinc/73/35/97/532733597.db2.gz HVYHFUAMYLTGSS-RISCZKNCSA-N 1 2 384.889 2.465 20 0 GEADLO O=C(Cc1ccc(Br)c(Cl)c1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614501481 532736930 /nfs/dbraw/zinc/73/69/30/532736930.db2.gz FMLQRKVQFOVLQN-CYBMUJFWSA-N 1 2 386.721 2.151 20 0 GEADLO O=C(Cc1ccc(Br)c(Cl)c1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614501481 532736936 /nfs/dbraw/zinc/73/69/36/532736936.db2.gz FMLQRKVQFOVLQN-CYBMUJFWSA-N 1 2 386.721 2.151 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000675016859 532739158 /nfs/dbraw/zinc/73/91/58/532739158.db2.gz SFQISRYTPUDJLT-NSHDSACASA-N 1 2 382.511 2.237 20 0 GEADLO O=C(CCCc1ccc(Br)s1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614511552 532739207 /nfs/dbraw/zinc/73/92/07/532739207.db2.gz JRJFSDOENCVYIL-CYBMUJFWSA-N 1 2 386.359 2.339 20 0 GEADLO O=C(CCCc1ccc(Br)s1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614511552 532739217 /nfs/dbraw/zinc/73/92/17/532739217.db2.gz JRJFSDOENCVYIL-CYBMUJFWSA-N 1 2 386.359 2.339 20 0 GEADLO Cc1ccsc1[C@@H](CO)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442998559 532739739 /nfs/dbraw/zinc/73/97/39/532739739.db2.gz JHXLGXXYPGLIST-OAHLLOKOSA-N 1 2 377.491 2.313 20 0 GEADLO CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000410468242 532741089 /nfs/dbraw/zinc/74/10/89/532741089.db2.gz SVYHFYAOABPWKY-AWEZNQCLSA-N 1 2 377.501 2.027 20 0 GEADLO CC[C@@H]([NH2+]CC(=O)NCC(=O)NC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC000541632037 532756993 /nfs/dbraw/zinc/75/69/93/532756993.db2.gz UVXIXSRAAUZRQG-SECBINFHSA-N 1 2 380.436 2.234 20 0 GEADLO Cc1noc([C@H](C)[NH2+]CC(=O)Nc2ccccc2I)n1 ZINC000541650490 532757247 /nfs/dbraw/zinc/75/72/47/532757247.db2.gz JMECEVDUUGSTPU-QMMMGPOBSA-N 1 2 386.193 2.272 20 0 GEADLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1ccc(Br)cc1F ZINC000286596182 532757393 /nfs/dbraw/zinc/75/73/93/532757393.db2.gz GQHFPCYYMVKRIC-WCQYABFASA-N 1 2 387.297 2.194 20 0 GEADLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1ccc(Br)cc1F ZINC000286596182 532757396 /nfs/dbraw/zinc/75/73/96/532757396.db2.gz GQHFPCYYMVKRIC-WCQYABFASA-N 1 2 387.297 2.194 20 0 GEADLO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)c1nnc2ccccn21 ZINC000541651771 532757463 /nfs/dbraw/zinc/75/74/63/532757463.db2.gz RPXUITJDJFWYEN-LLVKDONJSA-N 1 2 399.252 2.351 20 0 GEADLO C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1ccc(Br)cc1F ZINC000286596178 532757567 /nfs/dbraw/zinc/75/75/67/532757567.db2.gz GQHFPCYYMVKRIC-DGCLKSJQSA-N 1 2 387.297 2.194 20 0 GEADLO C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1ccc(Br)cc1F ZINC000286596178 532757571 /nfs/dbraw/zinc/75/75/71/532757571.db2.gz GQHFPCYYMVKRIC-DGCLKSJQSA-N 1 2 387.297 2.194 20 0 GEADLO CCNC(=O)C[NH+]1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000301713746 532757796 /nfs/dbraw/zinc/75/77/96/532757796.db2.gz ZAIHZGYDMVNOFB-UHFFFAOYSA-N 1 2 377.286 2.255 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000581927826 532759625 /nfs/dbraw/zinc/75/96/25/532759625.db2.gz RQJFGYBJEWYFJP-MELADBBJSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000581927826 532759627 /nfs/dbraw/zinc/75/96/27/532759627.db2.gz RQJFGYBJEWYFJP-MELADBBJSA-N 1 2 383.286 2.196 20 0 GEADLO CC(C)(C)N1C[C@H]([NH2+]Cc2ncc(I)s2)CC1=O ZINC000286661910 532760687 /nfs/dbraw/zinc/76/06/87/532760687.db2.gz UPNGWSXONHAOMN-MRVPVSSYSA-N 1 2 379.267 2.237 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c(Br)c1 ZINC000451042191 532761135 /nfs/dbraw/zinc/76/11/35/532761135.db2.gz VLINZHKAFXGERW-GFCCVEGCSA-N 1 2 395.257 2.439 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c(Br)c1 ZINC000451042191 532761138 /nfs/dbraw/zinc/76/11/38/532761138.db2.gz VLINZHKAFXGERW-GFCCVEGCSA-N 1 2 395.257 2.439 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCCS(=O)(=O)C1)c1ccsc1 ZINC000286671043 532761305 /nfs/dbraw/zinc/76/13/05/532761305.db2.gz YDRQQWFMCRFSKE-GDBMZVCRSA-N 1 2 387.571 2.255 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cccc2c(Cl)ccnc21)C[NH+]1CCOCC1 ZINC000451215009 532762224 /nfs/dbraw/zinc/76/22/24/532762224.db2.gz FRRXPLTYNWZOJQ-CYBMUJFWSA-N 1 2 383.901 2.135 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CCO)c1ccccc1Br ZINC000541944454 532763417 /nfs/dbraw/zinc/76/34/17/532763417.db2.gz YSVXUHPUVQVJKE-SWLSCSKDSA-N 1 2 381.274 2.457 20 0 GEADLO O=c1[nH]nc(C2CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)[nH]1 ZINC000580492385 532748268 /nfs/dbraw/zinc/74/82/68/532748268.db2.gz JXDAQVXFRQKGPJ-LLVKDONJSA-N 1 2 387.267 2.436 20 0 GEADLO CN(C)[C@]1(C[NH2+]Cc2ncc(I)s2)CCSC1 ZINC000286453970 532748678 /nfs/dbraw/zinc/74/86/78/532748678.db2.gz JXGHOSBSEAEKBJ-NSHDSACASA-N 1 2 383.324 2.275 20 0 GEADLO CC(=O)NC[C@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CCO1 ZINC000443518195 532748719 /nfs/dbraw/zinc/74/87/19/532748719.db2.gz LDAZYDPMPRUTLC-NSHDSACASA-N 1 2 382.233 2.478 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)[C@H](C)C[NH2+]1 ZINC000505850720 532750682 /nfs/dbraw/zinc/75/06/82/532750682.db2.gz IMOCOOCJSWCAKF-CHWSQXEVSA-N 1 2 379.507 2.371 20 0 GEADLO CO[C@@H]1CC[C@H](C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000616146835 532750718 /nfs/dbraw/zinc/75/07/18/532750718.db2.gz OOJPVJMEZOREAU-NWDGAFQWSA-N 1 2 384.274 2.434 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2ccccc2CNc2ccc(Cl)cn2)CC1 ZINC000301462129 532752530 /nfs/dbraw/zinc/75/25/30/532752530.db2.gz UXEBKLNLRMVONJ-UHFFFAOYSA-N 1 2 380.901 2.283 20 0 GEADLO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]Cc1nnn(C)n1 ZINC000511752054 532775046 /nfs/dbraw/zinc/77/50/46/532775046.db2.gz CITDXFGYXARFNM-QMMMGPOBSA-N 1 2 376.770 2.389 20 0 GEADLO Cn1ncc2c1nc(N[C@@H]1CCN(c3ccc(Br)cc3)C1)[nH+]c2N ZINC000302887495 532775170 /nfs/dbraw/zinc/77/51/70/532775170.db2.gz NVFMWUYINCRWCC-LLVKDONJSA-N 1 2 388.273 2.399 20 0 GEADLO C[C@H]1CN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC[C@H]1[NH3+] ZINC000269172041 532776536 /nfs/dbraw/zinc/77/65/36/532776536.db2.gz AGWWELOBUVJSRJ-SWLSCSKDSA-N 1 2 379.507 2.358 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cccc(I)c1 ZINC000308672254 532777303 /nfs/dbraw/zinc/77/73/03/532777303.db2.gz AUUUDKRQSIATDT-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO COCC(COC)N1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000411856194 532777779 /nfs/dbraw/zinc/77/77/79/532777779.db2.gz GULGOPJTOYITKA-UHFFFAOYSA-N 1 2 387.318 2.107 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000513776556 532779429 /nfs/dbraw/zinc/77/94/29/532779429.db2.gz HMSNXBXFLZFDBL-GFCCVEGCSA-N 1 2 380.286 2.310 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000513776556 532779432 /nfs/dbraw/zinc/77/94/32/532779432.db2.gz HMSNXBXFLZFDBL-GFCCVEGCSA-N 1 2 380.286 2.310 20 0 GEADLO Cn1c(CN2CCN(Cc3[nH]cc[nH+]3)CC2)nc2ccc(Br)cc21 ZINC000583357167 532764924 /nfs/dbraw/zinc/76/49/24/532764924.db2.gz YTZJYRDPUSWSDN-UHFFFAOYSA-N 1 2 389.301 2.377 20 0 GEADLO COCC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000509418228 532769712 /nfs/dbraw/zinc/76/97/12/532769712.db2.gz SGOZWPLTUFNIKJ-UHFFFAOYSA-N 1 2 397.722 2.055 20 0 GEADLO Cc1nc(-c2cccs2)c(CC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)s1 ZINC000588935235 532771990 /nfs/dbraw/zinc/77/19/90/532771990.db2.gz QSMHVSOKYCMJKD-CYBMUJFWSA-N 1 2 378.567 2.475 20 0 GEADLO Nc1[nH+]cnc(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1Cl ZINC000302777208 532773537 /nfs/dbraw/zinc/77/35/37/532773537.db2.gz FZMUVQVLUUSKOU-UHFFFAOYSA-N 1 2 381.889 2.499 20 0 GEADLO Nc1nc[nH+]c(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1Cl ZINC000302777208 532773544 /nfs/dbraw/zinc/77/35/44/532773544.db2.gz FZMUVQVLUUSKOU-UHFFFAOYSA-N 1 2 381.889 2.499 20 0 GEADLO NC(=O)C[NH+]1CCN(c2ccnc3c(Cl)cc(Br)cc23)CC1 ZINC000302736410 532773773 /nfs/dbraw/zinc/77/37/73/532773773.db2.gz PAVZUXJHXKCUBZ-UHFFFAOYSA-N 1 2 383.677 2.258 20 0 GEADLO Cn1ncc2c1nc(N[C@H]1CCN(c3ccc(Br)cc3)C1)[nH+]c2N ZINC000302887496 532774623 /nfs/dbraw/zinc/77/46/23/532774623.db2.gz NVFMWUYINCRWCC-NSHDSACASA-N 1 2 388.273 2.399 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456739774 532783538 /nfs/dbraw/zinc/78/35/38/532783538.db2.gz ZCKHTAJYIAYHCP-GFCCVEGCSA-N 1 2 384.249 2.211 20 0 GEADLO CNC(=O)NC1CC[NH+](CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000412056578 532784194 /nfs/dbraw/zinc/78/41/94/532784194.db2.gz UDBLHRLUMSDWTM-UHFFFAOYSA-N 1 2 383.290 2.089 20 0 GEADLO NC(=O)Cn1cc(C[NH2+]C2(c3ccccc3Br)CCCCC2)nn1 ZINC000459573446 532796716 /nfs/dbraw/zinc/79/67/16/532796716.db2.gz QJUPJILFJMMZCP-UHFFFAOYSA-N 1 2 392.301 2.475 20 0 GEADLO CCNC(=O)C(C)(C)[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000459563444 532796726 /nfs/dbraw/zinc/79/67/26/532796726.db2.gz QHXUDJYJENNWEP-UHFFFAOYSA-N 1 2 381.523 2.218 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000412080647 532784974 /nfs/dbraw/zinc/78/49/74/532784974.db2.gz QADZUCOQQZDNCH-LLVKDONJSA-N 1 2 376.400 2.482 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000412080647 532784978 /nfs/dbraw/zinc/78/49/78/532784978.db2.gz QADZUCOQQZDNCH-LLVKDONJSA-N 1 2 376.400 2.482 20 0 GEADLO C[C@H]1CCSCCN1C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000550044046 532796753 /nfs/dbraw/zinc/79/67/53/532796753.db2.gz FGKYDWBOIXDCNN-BBRMVZONSA-N 1 2 383.945 2.413 20 0 GEADLO C[C@H](C(=O)Nc1cccc(C(=O)N2CCSCC2)c1)[NH+]1CCSCC1 ZINC000269674064 532786061 /nfs/dbraw/zinc/78/60/61/532786061.db2.gz JJCLFVKSRRUGGW-CQSZACIVSA-N 1 2 379.551 2.251 20 0 GEADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000457101881 532786068 /nfs/dbraw/zinc/78/60/68/532786068.db2.gz QJIVSSYLOGOVOH-AWEZNQCLSA-N 1 2 397.313 2.327 20 0 GEADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000457101881 532786071 /nfs/dbraw/zinc/78/60/71/532786071.db2.gz QJIVSSYLOGOVOH-AWEZNQCLSA-N 1 2 397.313 2.327 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000287248805 532788616 /nfs/dbraw/zinc/78/86/16/532788616.db2.gz JURXUIHCVSEQRB-DGCLKSJQSA-N 1 2 393.285 2.261 20 0 GEADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2c(Cl)ccc(F)c2F)CCCO1 ZINC000287285459 532789840 /nfs/dbraw/zinc/78/98/40/532789840.db2.gz IXTFPWHPMVMRRO-LLVKDONJSA-N 1 2 382.860 2.397 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2c(Cl)ccc(F)c2F)CCCO1 ZINC000287285459 532789842 /nfs/dbraw/zinc/78/98/42/532789842.db2.gz IXTFPWHPMVMRRO-LLVKDONJSA-N 1 2 382.860 2.397 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000412440172 532792323 /nfs/dbraw/zinc/79/23/23/532792323.db2.gz ZQQWCUCJBMQDCG-UHFFFAOYSA-N 1 2 385.302 2.177 20 0 GEADLO COc1cc(Br)c(CNC(=O)NCCc2cn(C)c[nH+]2)cc1OC ZINC000458225237 532793211 /nfs/dbraw/zinc/79/32/11/532793211.db2.gz BBUIAEGOKUARON-UHFFFAOYSA-N 1 2 397.273 2.242 20 0 GEADLO CCN(C(C)=O)c1nc(C[N@H+](CCNC(C)=O)C2CCSCC2)cs1 ZINC000549082714 532794009 /nfs/dbraw/zinc/79/40/09/532794009.db2.gz WEKHKRZORXSPFO-UHFFFAOYSA-N 1 2 384.571 2.350 20 0 GEADLO CCN(C(C)=O)c1nc(C[N@@H+](CCNC(C)=O)C2CCSCC2)cs1 ZINC000549082714 532794012 /nfs/dbraw/zinc/79/40/12/532794012.db2.gz WEKHKRZORXSPFO-UHFFFAOYSA-N 1 2 384.571 2.350 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000455288718 532780195 /nfs/dbraw/zinc/78/01/95/532780195.db2.gz APSXAKAEIQSDPO-UHFFFAOYSA-N 1 2 381.278 2.409 20 0 GEADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000514191716 532780423 /nfs/dbraw/zinc/78/04/23/532780423.db2.gz APYYWYVEKCBGGY-BBWFWOEESA-N 1 2 395.297 2.212 20 0 GEADLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@H]21)Nc1cccc(I)c1 ZINC000514194645 532780678 /nfs/dbraw/zinc/78/06/78/532780678.db2.gz KKVQGMHXJDIWKM-ZIAGYGMSSA-N 1 2 386.233 2.483 20 0 GEADLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@H]21)Nc1cccc(I)c1 ZINC000514194645 532780682 /nfs/dbraw/zinc/78/06/82/532780682.db2.gz KKVQGMHXJDIWKM-ZIAGYGMSSA-N 1 2 386.233 2.483 20 0 GEADLO CC[S@](=O)CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412974012 532804971 /nfs/dbraw/zinc/80/49/71/532804971.db2.gz ROPNTJHPSGNLJO-QFIPXVFZSA-N 1 2 387.343 2.298 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000329356194 532806174 /nfs/dbraw/zinc/80/61/74/532806174.db2.gz GWOUNLYKQVYWPZ-HFBAOOFYSA-N 1 2 375.897 2.401 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000329356194 532806177 /nfs/dbraw/zinc/80/61/77/532806177.db2.gz GWOUNLYKQVYWPZ-HFBAOOFYSA-N 1 2 375.897 2.401 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1csc(Br)c1 ZINC000413127466 532806275 /nfs/dbraw/zinc/80/62/75/532806275.db2.gz MHJDVNARMSYQTE-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO C[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1)[NH+]1CCSCC1 ZINC000329392139 532806649 /nfs/dbraw/zinc/80/66/49/532806649.db2.gz RYYNBRRKCKKPDZ-DOMZBBRYSA-N 1 2 383.514 2.103 20 0 GEADLO C[C@H](c1nncn1C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000287704725 532806775 /nfs/dbraw/zinc/80/67/75/532806775.db2.gz JIZGDKGNGKDWEH-VXGBXAGGSA-N 1 2 393.289 2.384 20 0 GEADLO C[C@H](c1nncn1C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000287704725 532806777 /nfs/dbraw/zinc/80/67/77/532806777.db2.gz JIZGDKGNGKDWEH-VXGBXAGGSA-N 1 2 393.289 2.384 20 0 GEADLO O=C1NC(=O)N2CC[N@@H+](Cc3cc4c(cc3Br)OCCCO4)C[C@@H]12 ZINC000329450905 532806989 /nfs/dbraw/zinc/80/69/89/532806989.db2.gz OXAUPDUMJMUGBL-LBPRGKRZSA-N 1 2 396.241 2.187 20 0 GEADLO O=C1NC(=O)N2CC[N@H+](Cc3cc4c(cc3Br)OCCCO4)C[C@@H]12 ZINC000329450905 532806992 /nfs/dbraw/zinc/80/69/92/532806992.db2.gz OXAUPDUMJMUGBL-LBPRGKRZSA-N 1 2 396.241 2.187 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc2nccnc2c1Br ZINC000287727059 532807992 /nfs/dbraw/zinc/80/79/92/532807992.db2.gz OKCQFYYVQLSBHT-LLVKDONJSA-N 1 2 394.273 2.235 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271589646 532809669 /nfs/dbraw/zinc/80/96/69/532809669.db2.gz DBLCOYALVWOUOJ-LLVKDONJSA-N 1 2 392.257 2.220 20 0 GEADLO COc1ccc(Br)c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000287496319 532798019 /nfs/dbraw/zinc/79/80/19/532798019.db2.gz UKZDJVMCZARRFH-QWHCGFSZSA-N 1 2 383.286 2.393 20 0 GEADLO CNC(=O)c1cccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000460982277 532798959 /nfs/dbraw/zinc/79/89/59/532798959.db2.gz SUOUDJZCHZQPKY-UHFFFAOYSA-N 1 2 387.237 2.386 20 0 GEADLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000270820421 532802261 /nfs/dbraw/zinc/80/22/61/532802261.db2.gz BEHSWGYDOXGVTE-CYBMUJFWSA-N 1 2 381.270 2.417 20 0 GEADLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000270820421 532802264 /nfs/dbraw/zinc/80/22/64/532802264.db2.gz BEHSWGYDOXGVTE-CYBMUJFWSA-N 1 2 381.270 2.417 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000271180547 532803921 /nfs/dbraw/zinc/80/39/21/532803921.db2.gz CMXULCIDXOQTIX-UHFFFAOYSA-N 1 2 384.479 2.276 20 0 GEADLO Cc1nc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(Br)n1C ZINC000287650322 532804784 /nfs/dbraw/zinc/80/47/84/532804784.db2.gz CGLGBJSPXKSGQU-JTQLQIEISA-N 1 2 388.291 2.130 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3c(Cl)ccnc3Cl)CC2)S1 ZINC000272209255 532813502 /nfs/dbraw/zinc/81/35/02/532813502.db2.gz LNDMKDJEQLTARF-VIFPVBQESA-N 1 2 395.337 2.186 20 0 GEADLO O=C(NC[C@H]1CCCS(=O)(=O)C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000287852099 532811718 /nfs/dbraw/zinc/81/17/18/532811718.db2.gz WVTMTPIUOUWOPN-CYBMUJFWSA-N 1 2 386.543 2.075 20 0 GEADLO Cc1cc2c(cc1S(=O)(=O)NCC[N@@H+]1CCc3sccc3C1)OCO2 ZINC000330047813 532813886 /nfs/dbraw/zinc/81/38/86/532813886.db2.gz JQEXSKXVBLXNST-UHFFFAOYSA-N 1 2 380.491 2.122 20 0 GEADLO Cc1cc2c(cc1S(=O)(=O)NCC[N@H+]1CCc3sccc3C1)OCO2 ZINC000330047813 532813887 /nfs/dbraw/zinc/81/38/87/532813887.db2.gz JQEXSKXVBLXNST-UHFFFAOYSA-N 1 2 380.491 2.122 20 0 GEADLO C[C@H]1CCN(C(=O)NCCn2cc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000288080922 532816746 /nfs/dbraw/zinc/81/67/46/532816746.db2.gz HDNAPILPWBQNAG-GXTWGEPZSA-N 1 2 381.278 2.135 20 0 GEADLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)Nc1ccncc1Br ZINC000272689965 532816838 /nfs/dbraw/zinc/81/68/38/532816838.db2.gz QCJTUGDMQMQMDS-UHFFFAOYSA-N 1 2 392.257 2.397 20 0 GEADLO CC(C)NC(=O)C[NH+]1CCN(c2ccnc3cc(Br)cnc32)CC1 ZINC000273156628 532820393 /nfs/dbraw/zinc/82/03/93/532820393.db2.gz JCYKGYUQWATRGO-UHFFFAOYSA-N 1 2 392.301 2.039 20 0 GEADLO COCCNC(=O)C1([NH2+][C@H](C)c2ccccc2I)CC1 ZINC000414217581 532821049 /nfs/dbraw/zinc/82/10/49/532821049.db2.gz YONNWIIVKZCLNF-LLVKDONJSA-N 1 2 388.249 2.237 20 0 GEADLO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1CCCCS1(=O)=O ZINC000273252761 532821442 /nfs/dbraw/zinc/82/14/42/532821442.db2.gz DPTOWJCACOIFQO-QGZVFWFLSA-N 1 2 382.551 2.450 20 0 GEADLO CNC(=O)[C@@H]([NH2+]Cc1c(Br)cncc1Br)C(C)C ZINC000414358548 532822135 /nfs/dbraw/zinc/82/21/35/532822135.db2.gz HFJSCCCUXOWMJV-NSHDSACASA-N 1 2 379.096 2.467 20 0 GEADLO COC(=O)[C@H](CF)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000288370234 532825786 /nfs/dbraw/zinc/82/57/86/532825786.db2.gz QSAHJSBYLHMNDZ-UONOGXRCSA-N 1 2 387.249 2.213 20 0 GEADLO CCO[C@@H]1C[C@@H](Nc2[nH+]cnc3c2c(Br)nn3C)[C@@]12CCCO2 ZINC000273553941 532825994 /nfs/dbraw/zinc/82/59/94/532825994.db2.gz ZHTBKVGDSLZIKG-FCHSOHFDSA-N 1 2 382.262 2.264 20 0 GEADLO C[NH+](C)CC1(CNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CCCC1 ZINC000273439336 532824045 /nfs/dbraw/zinc/82/40/45/532824045.db2.gz BEDILXFGZJHXKO-UHFFFAOYSA-N 1 2 388.555 2.028 20 0 GEADLO CCCN(CCO)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273602380 532827438 /nfs/dbraw/zinc/82/74/38/532827438.db2.gz ZCODVCLIUKSCAM-UHFFFAOYSA-N 1 2 383.290 2.362 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCS[C@@H](C)[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000330809367 532827461 /nfs/dbraw/zinc/82/74/61/532827461.db2.gz IWJOTKMBWATPFZ-KBPBESRZSA-N 1 2 385.555 2.010 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000330809367 532827464 /nfs/dbraw/zinc/82/74/64/532827464.db2.gz IWJOTKMBWATPFZ-KBPBESRZSA-N 1 2 385.555 2.010 20 0 GEADLO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000330806344 532827773 /nfs/dbraw/zinc/82/77/73/532827773.db2.gz MFEPZQQQYULSED-XJKCOSOUSA-N 1 2 375.485 2.380 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CC1(c2cccc(Br)c2)CC1 ZINC000288438165 532827886 /nfs/dbraw/zinc/82/78/86/532827886.db2.gz SFHGWMQNFUMBQA-AWEZNQCLSA-N 1 2 389.253 2.367 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CC1(c2cccc(Br)c2)CC1 ZINC000288438165 532827889 /nfs/dbraw/zinc/82/78/89/532827889.db2.gz SFHGWMQNFUMBQA-AWEZNQCLSA-N 1 2 389.253 2.367 20 0 GEADLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414441607 532827909 /nfs/dbraw/zinc/82/79/09/532827909.db2.gz JSAFAGPMNGYZLQ-KRWDZBQOSA-N 1 2 388.555 2.047 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1O ZINC000273685884 532830798 /nfs/dbraw/zinc/83/07/98/532830798.db2.gz ALBJIAYSGPBORQ-GFCCVEGCSA-N 1 2 384.274 2.199 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1O ZINC000273685884 532830799 /nfs/dbraw/zinc/83/07/99/532830799.db2.gz ALBJIAYSGPBORQ-GFCCVEGCSA-N 1 2 384.274 2.199 20 0 GEADLO CNC(=O)NC1CC[NH+](Cc2c(Br)cc(OC)cc2OC)CC1 ZINC000414540104 532831694 /nfs/dbraw/zinc/83/16/94/532831694.db2.gz FQBBAKRGSRUTPB-UHFFFAOYSA-N 1 2 386.290 2.360 20 0 GEADLO CN(Cc1ncc(I)s1)C(C)(C)C[NH+]1CCOCC1 ZINC000414564335 532832706 /nfs/dbraw/zinc/83/27/06/532832706.db2.gz DNNSIHZWGQJINM-UHFFFAOYSA-N 1 2 395.310 2.290 20 0 GEADLO C[N@H+](Cc1ncc(I)s1)C(C)(C)CN1CCOCC1 ZINC000414564335 532832708 /nfs/dbraw/zinc/83/27/08/532832708.db2.gz DNNSIHZWGQJINM-UHFFFAOYSA-N 1 2 395.310 2.290 20 0 GEADLO C[N@@H+](Cc1ncc(I)s1)C(C)(C)CN1CCOCC1 ZINC000414564335 532832710 /nfs/dbraw/zinc/83/27/10/532832710.db2.gz DNNSIHZWGQJINM-UHFFFAOYSA-N 1 2 395.310 2.290 20 0 GEADLO C[C@H]1CCC[C@H](C)N1C(=O)CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000331233194 532835996 /nfs/dbraw/zinc/83/59/96/532835996.db2.gz JYUMFRITNATSPS-RYUDHWBXSA-N 1 2 381.420 2.150 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N2CC[NH+](CCOC(C)C)CC2)cc1Cl ZINC000331229036 532836057 /nfs/dbraw/zinc/83/60/57/532836057.db2.gz ZKRYDZFRCVMJEV-UHFFFAOYSA-N 1 2 390.933 2.388 20 0 GEADLO C[C@H](c1nnnn1-c1ccccc1)[N@H+](C)CCn1cc(Br)cn1 ZINC000288696596 532835059 /nfs/dbraw/zinc/83/50/59/532835059.db2.gz DNFNRBLGVHGKCF-GFCCVEGCSA-N 1 2 376.262 2.314 20 0 GEADLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+](C)CCn1cc(Br)cn1 ZINC000288696596 532835061 /nfs/dbraw/zinc/83/50/61/532835061.db2.gz DNFNRBLGVHGKCF-GFCCVEGCSA-N 1 2 376.262 2.314 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C[C@H]1C ZINC000331340417 532838219 /nfs/dbraw/zinc/83/82/19/532838219.db2.gz XGRZSJZVCUCOOR-NEPJUHHUSA-N 1 2 376.906 2.460 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)C[C@H]1C ZINC000331340417 532838222 /nfs/dbraw/zinc/83/82/22/532838222.db2.gz XGRZSJZVCUCOOR-NEPJUHHUSA-N 1 2 376.906 2.460 20 0 GEADLO COC(=O)N(C)CCCC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274006750 532839279 /nfs/dbraw/zinc/83/92/79/532839279.db2.gz QARBCYAUUUJOTC-UHFFFAOYSA-N 1 2 397.273 2.500 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc(F)cc1 ZINC000012627744 209164162 /nfs/dbraw/zinc/16/41/62/209164162.db2.gz DZTMCNYPWMMYFH-LJQANCHMSA-N 1 2 391.406 2.244 20 0 GEADLO CCn1cc(C(=O)C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)cn1 ZINC000274117300 532841154 /nfs/dbraw/zinc/84/11/54/532841154.db2.gz AFLORJYBXYHSSN-UHFFFAOYSA-N 1 2 390.241 2.121 20 0 GEADLO COc1c(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)c(C)nn1C ZINC000274114108 532841543 /nfs/dbraw/zinc/84/15/43/532841543.db2.gz ZWINUUPZSKAYMD-UHFFFAOYSA-N 1 2 392.257 2.386 20 0 GEADLO CCOC(=O)CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000331678956 532842245 /nfs/dbraw/zinc/84/22/45/532842245.db2.gz QICRSPCUFNRYEH-UHFFFAOYSA-N 1 2 380.919 2.051 20 0 GEADLO CCOC(=O)CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000331678956 532842247 /nfs/dbraw/zinc/84/22/47/532842247.db2.gz QICRSPCUFNRYEH-UHFFFAOYSA-N 1 2 380.919 2.051 20 0 GEADLO O=c1[nH]ccc(Cc2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1Br ZINC000288992412 532843778 /nfs/dbraw/zinc/84/37/78/532843778.db2.gz CRJSRUJGMTZYMF-VXGBXAGGSA-N 1 2 395.257 2.449 20 0 GEADLO O=c1[nH]ccc(Cc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1Br ZINC000288992412 532843781 /nfs/dbraw/zinc/84/37/81/532843781.db2.gz CRJSRUJGMTZYMF-VXGBXAGGSA-N 1 2 395.257 2.449 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000274208363 532844319 /nfs/dbraw/zinc/84/43/19/532844319.db2.gz KEJZDHYUSBSBJC-QGZVFWFLSA-N 1 2 384.567 2.153 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000274224736 532844939 /nfs/dbraw/zinc/84/49/39/532844939.db2.gz VTEYJMYBNAYJDC-ZDUSSCGKSA-N 1 2 375.874 2.014 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+]2CCC[C@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000274224736 532844941 /nfs/dbraw/zinc/84/49/41/532844941.db2.gz VTEYJMYBNAYJDC-ZDUSSCGKSA-N 1 2 375.874 2.014 20 0 GEADLO C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274226733 532845162 /nfs/dbraw/zinc/84/51/62/532845162.db2.gz SMUIMTYVHLTQCJ-AWEZNQCLSA-N 1 2 383.539 2.341 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)c3nc[nH]n3)[nH+]c12 ZINC000274258062 532846621 /nfs/dbraw/zinc/84/66/21/532846621.db2.gz USYZRARZLHFKDW-SECBINFHSA-N 1 2 378.234 2.084 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000331957559 532847042 /nfs/dbraw/zinc/84/70/42/532847042.db2.gz AKUAHYBSTMOTTQ-GFCCVEGCSA-N 1 2 381.270 2.062 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000331957559 532847044 /nfs/dbraw/zinc/84/70/44/532847044.db2.gz AKUAHYBSTMOTTQ-GFCCVEGCSA-N 1 2 381.270 2.062 20 0 GEADLO CO[C@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)[C@H](C[NH3+])C1 ZINC000415484656 532847057 /nfs/dbraw/zinc/84/70/57/532847057.db2.gz NUUOUSGSJSWHNC-STQMWFEESA-N 1 2 381.889 2.250 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000274304891 532847720 /nfs/dbraw/zinc/84/77/20/532847720.db2.gz DHEWFYHFAGXWGU-CQSZACIVSA-N 1 2 382.917 2.287 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000274304891 532847721 /nfs/dbraw/zinc/84/77/21/532847721.db2.gz DHEWFYHFAGXWGU-CQSZACIVSA-N 1 2 382.917 2.287 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000289156339 532849136 /nfs/dbraw/zinc/84/91/36/532849136.db2.gz RYLLMWRRUIZVDT-WCQYABFASA-N 1 2 386.279 2.254 20 0 GEADLO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000332177686 532849440 /nfs/dbraw/zinc/84/94/40/532849440.db2.gz MMPCOLLEPOEKIG-NHYWBVRUSA-N 1 2 391.320 2.465 20 0 GEADLO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000332177686 532849443 /nfs/dbraw/zinc/84/94/43/532849443.db2.gz MMPCOLLEPOEKIG-NHYWBVRUSA-N 1 2 391.320 2.465 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000289192330 532849715 /nfs/dbraw/zinc/84/97/15/532849715.db2.gz UFMWOOXXJOROJK-AAEUAGOBSA-N 1 2 386.279 2.254 20 0 GEADLO CCS(=O)(=O)NCCCSC[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000289351595 532852583 /nfs/dbraw/zinc/85/25/83/532852583.db2.gz GUKDUYCJDSQTST-OAHLLOKOSA-N 1 2 385.555 2.077 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(OC)c(Br)c2)CC1 ZINC000289376641 532853486 /nfs/dbraw/zinc/85/34/86/532853486.db2.gz BWOHDUQFBSUNDB-UHFFFAOYSA-N 1 2 391.331 2.361 20 0 GEADLO CC(C)N1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1=O ZINC000289501266 532856610 /nfs/dbraw/zinc/85/66/10/532856610.db2.gz MATIPXKHGXADBR-CQSZACIVSA-N 1 2 378.274 2.129 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000289505731 532856619 /nfs/dbraw/zinc/85/66/19/532856619.db2.gz UCDZXZJHWMQSAH-UHFFFAOYSA-N 1 2 379.295 2.492 20 0 GEADLO CCc1nsc(N2CCC[N@H+](Cc3cnc(C4OCCO4)s3)CC2)n1 ZINC000289501279 532856826 /nfs/dbraw/zinc/85/68/26/532856826.db2.gz DLWGNDAPYODWRC-UHFFFAOYSA-N 1 2 381.527 2.315 20 0 GEADLO CCc1nsc(N2CCC[N@@H+](Cc3cnc(C4OCCO4)s3)CC2)n1 ZINC000289501279 532856829 /nfs/dbraw/zinc/85/68/29/532856829.db2.gz DLWGNDAPYODWRC-UHFFFAOYSA-N 1 2 381.527 2.315 20 0 GEADLO O=C1C[C@@H]([NH2+]Cc2ncc(Br)cc2Br)CN1C1CC1 ZINC000274821216 532857205 /nfs/dbraw/zinc/85/72/05/532857205.db2.gz HAGYCWGILLAEKA-SECBINFHSA-N 1 2 389.091 2.460 20 0 GEADLO O[C@@H](C[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccc(F)c(Br)c1 ZINC000274843456 532857951 /nfs/dbraw/zinc/85/79/51/532857951.db2.gz OXDOKUKMFCATKB-HNNXBMFYSA-N 1 2 399.239 2.373 20 0 GEADLO COc1c(Br)cccc1C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000274902908 532858817 /nfs/dbraw/zinc/85/88/17/532858817.db2.gz NNTSMICRWYCLJO-UHFFFAOYSA-N 1 2 391.331 2.314 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000289565860 532859454 /nfs/dbraw/zinc/85/94/54/532859454.db2.gz ZERHVZYXPXZTCW-UHFFFAOYSA-N 1 2 376.906 2.261 20 0 GEADLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ncc(C3OCCO3)s2)cc1 ZINC000289668494 532862910 /nfs/dbraw/zinc/86/29/10/532862910.db2.gz MGAKSSGDECZKIK-ZDUSSCGKSA-N 1 2 382.507 2.449 20 0 GEADLO C[C@]1(O)CCCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333056537 532863236 /nfs/dbraw/zinc/86/32/36/532863236.db2.gz CNSWHZMWPJLPCG-INIZCTEOSA-N 1 2 399.289 2.059 20 0 GEADLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000333082305 532863953 /nfs/dbraw/zinc/86/39/53/532863953.db2.gz XJMVTPBTOQAWKB-OLZOCXBDSA-N 1 2 382.511 2.359 20 0 GEADLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000333082305 532863957 /nfs/dbraw/zinc/86/39/57/532863957.db2.gz XJMVTPBTOQAWKB-OLZOCXBDSA-N 1 2 382.511 2.359 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)Nc1cc(Cl)ccc1F ZINC000275137344 532865845 /nfs/dbraw/zinc/86/58/45/532865845.db2.gz UAIDLKWVQAKYLP-SECBINFHSA-N 1 2 381.757 2.418 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)Nc1cc(Cl)ccc1F ZINC000275137344 532865848 /nfs/dbraw/zinc/86/58/48/532865848.db2.gz UAIDLKWVQAKYLP-SECBINFHSA-N 1 2 381.757 2.418 20 0 GEADLO O=C(c1cc(F)cc(Br)c1O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000416222177 532867530 /nfs/dbraw/zinc/86/75/30/532867530.db2.gz DEYYJTDKOJCILS-AWEZNQCLSA-N 1 2 380.217 2.476 20 0 GEADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000416305016 532870523 /nfs/dbraw/zinc/87/05/23/532870523.db2.gz ZXWDAPQHNVEBEN-KBPBESRZSA-N 1 2 384.929 2.169 20 0 GEADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000416305016 532870527 /nfs/dbraw/zinc/87/05/27/532870527.db2.gz ZXWDAPQHNVEBEN-KBPBESRZSA-N 1 2 384.929 2.169 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@H]1C[C@]12CCOC2 ZINC000333537437 532870334 /nfs/dbraw/zinc/87/03/34/532870334.db2.gz RHTLBRLJLWBMAQ-BZNIZROVSA-N 1 2 382.258 2.046 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000290092971 532872178 /nfs/dbraw/zinc/87/21/78/532872178.db2.gz PTEDNQHVRLQDAH-IAQYHMDHSA-N 1 2 386.279 2.254 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Br)c(C4CC4)n3)C[C@H]21 ZINC000333734561 532872827 /nfs/dbraw/zinc/87/28/27/532872827.db2.gz XDCJWHSQPXOSLT-CHWSQXEVSA-N 1 2 381.274 2.268 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Br)c(C4CC4)n3)C[C@H]21 ZINC000333734561 532872828 /nfs/dbraw/zinc/87/28/28/532872828.db2.gz XDCJWHSQPXOSLT-CHWSQXEVSA-N 1 2 381.274 2.268 20 0 GEADLO COC(=O)CC[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000416374162 532873331 /nfs/dbraw/zinc/87/33/31/532873331.db2.gz SPUKGOIUHGCJBC-UHFFFAOYSA-N 1 2 395.308 2.004 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2nc3ccccc3cc2Br)CC1 ZINC000290205932 532874994 /nfs/dbraw/zinc/87/49/94/532874994.db2.gz PZPNRDXOJSONNY-GFCCVEGCSA-N 1 2 378.270 2.136 20 0 GEADLO CSc1nnc(CNC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)s1 ZINC000275451859 532876878 /nfs/dbraw/zinc/87/68/78/532876878.db2.gz SMOMAWHEISZWPQ-GFCCVEGCSA-N 1 2 378.527 2.243 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)C[C@H]1C ZINC000416458747 532877962 /nfs/dbraw/zinc/87/79/62/532877962.db2.gz ZTJLGVDIMFMEKG-VXGBXAGGSA-N 1 2 387.933 2.111 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)C[C@H]1C ZINC000416458747 532877964 /nfs/dbraw/zinc/87/79/64/532877964.db2.gz ZTJLGVDIMFMEKG-VXGBXAGGSA-N 1 2 387.933 2.111 20 0 GEADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2ccncc2Br)C1 ZINC000275548124 532878394 /nfs/dbraw/zinc/87/83/94/532878394.db2.gz DFJBRDIJZVJMLR-ZDUSSCGKSA-N 1 2 383.290 2.419 20 0 GEADLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2ccncc2Br)C1 ZINC000275548124 532878395 /nfs/dbraw/zinc/87/83/95/532878395.db2.gz DFJBRDIJZVJMLR-ZDUSSCGKSA-N 1 2 383.290 2.419 20 0 GEADLO COCCC[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000290517548 532883040 /nfs/dbraw/zinc/88/30/40/532883040.db2.gz UJUALGCIGFBYAV-AWEZNQCLSA-N 1 2 381.416 2.437 20 0 GEADLO COCCC[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000290517548 532883044 /nfs/dbraw/zinc/88/30/44/532883044.db2.gz UJUALGCIGFBYAV-AWEZNQCLSA-N 1 2 381.416 2.437 20 0 GEADLO CC(=O)N1CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000290528133 532883204 /nfs/dbraw/zinc/88/32/04/532883204.db2.gz VCJAAPAZOIKOGB-UHFFFAOYSA-N 1 2 378.274 2.084 20 0 GEADLO CC(=O)N1CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000290528133 532883207 /nfs/dbraw/zinc/88/32/07/532883207.db2.gz VCJAAPAZOIKOGB-UHFFFAOYSA-N 1 2 378.274 2.084 20 0 GEADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420939844 532887694 /nfs/dbraw/zinc/88/76/94/532887694.db2.gz NRWAMZUUKIOHMA-HNNXBMFYSA-N 1 2 375.296 2.424 20 0 GEADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420939844 532887696 /nfs/dbraw/zinc/88/76/96/532887696.db2.gz NRWAMZUUKIOHMA-HNNXBMFYSA-N 1 2 375.296 2.424 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1)c1ccsc1 ZINC000290569167 532884308 /nfs/dbraw/zinc/88/43/08/532884308.db2.gz AZDLMYIBZKRJHQ-IJEWVQPXSA-N 1 2 387.571 2.348 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000290571165 532884369 /nfs/dbraw/zinc/88/43/69/532884369.db2.gz YPEZCUAWBVJAHQ-OAHLLOKOSA-N 1 2 380.539 2.152 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000290571165 532884370 /nfs/dbraw/zinc/88/43/70/532884370.db2.gz YPEZCUAWBVJAHQ-OAHLLOKOSA-N 1 2 380.539 2.152 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1)c1ccsc1 ZINC000290569174 532884413 /nfs/dbraw/zinc/88/44/13/532884413.db2.gz AZDLMYIBZKRJHQ-OFQRWUPVSA-N 1 2 387.571 2.348 20 0 GEADLO CO[C@@H](CC(C)C)CS(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000420646848 532884892 /nfs/dbraw/zinc/88/48/92/532884892.db2.gz LDNLBYFNBHXBBK-KRWDZBQOSA-N 1 2 376.563 2.002 20 0 GEADLO C[C@H](COCC(F)(F)F)NC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000360215966 532889632 /nfs/dbraw/zinc/88/96/32/532889632.db2.gz JPAQLBCNXYYUIT-LLVKDONJSA-N 1 2 380.436 2.374 20 0 GEADLO CS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000360246303 532889914 /nfs/dbraw/zinc/88/99/14/532889914.db2.gz LFWWXCXHLCKRIE-CQSZACIVSA-N 1 2 389.315 2.287 20 0 GEADLO CS(=O)(=O)CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000360246303 532889918 /nfs/dbraw/zinc/88/99/18/532889918.db2.gz LFWWXCXHLCKRIE-CQSZACIVSA-N 1 2 389.315 2.287 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000290809523 532890070 /nfs/dbraw/zinc/89/00/70/532890070.db2.gz FFOJSGKXUIKFKB-IAQYHMDHSA-N 1 2 393.285 2.261 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000290974742 532893518 /nfs/dbraw/zinc/89/35/18/532893518.db2.gz RDOXKSLEYLITSW-IAQYHMDHSA-N 1 2 393.285 2.261 20 0 GEADLO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000276463493 532896212 /nfs/dbraw/zinc/89/62/12/532896212.db2.gz LRXTXNCKGDOZAX-UHFFFAOYSA-N 1 2 383.221 2.227 20 0 GEADLO C[C@H](NC(=O)Cc1noc2ccc(Br)cc21)[C@H](C)[NH+]1CCOCC1 ZINC000424647825 532897020 /nfs/dbraw/zinc/89/70/20/532897020.db2.gz LDFQDIOGBOZPMR-RYUDHWBXSA-N 1 2 396.285 2.358 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000291176317 532897400 /nfs/dbraw/zinc/89/74/00/532897400.db2.gz NUGWKYSQWQPRDM-UHFFFAOYSA-N 1 2 380.539 2.137 20 0 GEADLO CC(C)(CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C[NH+]1CCCC1 ZINC000276647093 532899234 /nfs/dbraw/zinc/89/92/34/532899234.db2.gz CMDFWJVSIHUURD-UHFFFAOYSA-N 1 2 388.555 2.028 20 0 GEADLO COCc1nc(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cs1 ZINC000291281539 532899447 /nfs/dbraw/zinc/89/94/47/532899447.db2.gz SCGOGOJTTULODZ-UHFFFAOYSA-N 1 2 381.527 2.164 20 0 GEADLO COCc1nc(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cs1 ZINC000291281539 532899449 /nfs/dbraw/zinc/89/94/49/532899449.db2.gz SCGOGOJTTULODZ-UHFFFAOYSA-N 1 2 381.527 2.164 20 0 GEADLO CSCCCCCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000363678498 532900222 /nfs/dbraw/zinc/90/02/22/532900222.db2.gz QXTQSOQMVVZYJG-KRWDZBQOSA-N 1 2 375.604 2.417 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H](C)[C@H]3CO)[nH+]c12 ZINC000276725995 532900251 /nfs/dbraw/zinc/90/02/51/532900251.db2.gz IMOPBFRTXCUGJX-IAQYHMDHSA-N 1 2 395.301 2.360 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)[C@H](C)COC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363693447 532900361 /nfs/dbraw/zinc/90/03/61/532900361.db2.gz YTBBYELFJLPZSR-FUEDEBDSSA-N 1 2 380.432 2.194 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)[C@H](C)COC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363693447 532900363 /nfs/dbraw/zinc/90/03/63/532900363.db2.gz YTBBYELFJLPZSR-FUEDEBDSSA-N 1 2 380.432 2.194 20 0 GEADLO C[C@@](O)(CNC(=O)NC1CC[NH+](Cc2cscn2)CC1)c1cccs1 ZINC000363557966 532899208 /nfs/dbraw/zinc/89/92/08/532899208.db2.gz NPMMRSLZMAXZSA-QGZVFWFLSA-N 1 2 380.539 2.376 20 0 GEADLO C[N@H+](CCNC(=O)c1cc2c(s1)CCS(=O)(=O)C2)Cc1ccccc1 ZINC000363860262 532901860 /nfs/dbraw/zinc/90/18/60/532901860.db2.gz OWLLTDXEHMNKBN-UHFFFAOYSA-N 1 2 378.519 2.081 20 0 GEADLO C[N@@H+](CCNC(=O)c1cc2c(s1)CCS(=O)(=O)C2)Cc1ccccc1 ZINC000363860262 532901861 /nfs/dbraw/zinc/90/18/61/532901861.db2.gz OWLLTDXEHMNKBN-UHFFFAOYSA-N 1 2 378.519 2.081 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](C)[C@H]3CO)[nH+]c12 ZINC000276788403 532901135 /nfs/dbraw/zinc/90/11/35/532901135.db2.gz QQSGUIVNBZQGFH-QMTHXVAHSA-N 1 2 381.274 2.318 20 0 GEADLO CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@H](C)[NH+]2CCSCC2)n1 ZINC000276940571 532903947 /nfs/dbraw/zinc/90/39/47/532903947.db2.gz ZFTJZDDZDADSMC-JSGCOSHPSA-N 1 2 383.539 2.421 20 0 GEADLO C[C@]1(C(N)=O)CC[N@H+](Cc2c(Br)cncc2Br)C1 ZINC000291552270 532904055 /nfs/dbraw/zinc/90/40/55/532904055.db2.gz MKGYPMRGGCSINE-LBPRGKRZSA-N 1 2 377.080 2.304 20 0 GEADLO C[C@]1(C(N)=O)CC[N@@H+](Cc2c(Br)cncc2Br)C1 ZINC000291552270 532904056 /nfs/dbraw/zinc/90/40/56/532904056.db2.gz MKGYPMRGGCSINE-LBPRGKRZSA-N 1 2 377.080 2.304 20 0 GEADLO C[C@H](CNC(=O)C(C)(C)NC(=O)C(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000276956844 532904347 /nfs/dbraw/zinc/90/43/47/532904347.db2.gz CWKBTUBJBQGEEQ-SNVBAGLBSA-N 1 2 377.432 2.068 20 0 GEADLO C[C@H](CNC(=O)C(C)(C)NC(=O)C(F)(F)F)[N@H+]1CCc2sccc2C1 ZINC000276956844 532904348 /nfs/dbraw/zinc/90/43/48/532904348.db2.gz CWKBTUBJBQGEEQ-SNVBAGLBSA-N 1 2 377.432 2.068 20 0 GEADLO O=C(C[NH2+]Cc1c(Br)cncc1Br)NCC(F)F ZINC000291640315 532905842 /nfs/dbraw/zinc/90/58/42/532905842.db2.gz TUNNGQFTDHSAQE-UHFFFAOYSA-N 1 2 387.022 2.078 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000291669599 532906671 /nfs/dbraw/zinc/90/66/71/532906671.db2.gz CJAYUEJPIDQMDI-UHFFFAOYSA-N 1 2 397.317 2.299 20 0 GEADLO NC(=O)c1cccnc1N1CCC[N@H+](Cc2ccc(Br)o2)CC1 ZINC000365235127 532909078 /nfs/dbraw/zinc/90/90/78/532909078.db2.gz SFKORQDSXZCZSL-UHFFFAOYSA-N 1 2 379.258 2.248 20 0 GEADLO NC(=O)c1cccnc1N1CCC[N@@H+](Cc2ccc(Br)o2)CC1 ZINC000365235127 532909079 /nfs/dbraw/zinc/90/90/79/532909079.db2.gz SFKORQDSXZCZSL-UHFFFAOYSA-N 1 2 379.258 2.248 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)C2 ZINC000365593502 532911346 /nfs/dbraw/zinc/91/13/46/532911346.db2.gz UBYASTORMVEVPO-NSHDSACASA-N 1 2 375.372 2.383 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292269916 532914799 /nfs/dbraw/zinc/91/47/99/532914799.db2.gz QBWPQXPOWPXGBE-CYBMUJFWSA-N 1 2 393.336 2.318 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292269916 532914801 /nfs/dbraw/zinc/91/48/01/532914801.db2.gz QBWPQXPOWPXGBE-CYBMUJFWSA-N 1 2 393.336 2.318 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CC[NH+]([C@H]4CCSC4)CC3)cc2s1 ZINC000366173487 532914905 /nfs/dbraw/zinc/91/49/05/532914905.db2.gz UMXDDXXPWSWYCZ-ZDUSSCGKSA-N 1 2 383.564 2.417 20 0 GEADLO CS(=O)(=O)C[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000292289953 532914991 /nfs/dbraw/zinc/91/49/91/532914991.db2.gz RLIWENSLMMQKHC-NHYWBVRUSA-N 1 2 391.320 2.465 20 0 GEADLO CS(=O)(=O)C[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000292289953 532914992 /nfs/dbraw/zinc/91/49/92/532914992.db2.gz RLIWENSLMMQKHC-NHYWBVRUSA-N 1 2 391.320 2.465 20 0 GEADLO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000292323394 532915211 /nfs/dbraw/zinc/91/52/11/532915211.db2.gz CAJVOMRPOZKULR-YGRLFVJLSA-N 1 2 388.281 2.257 20 0 GEADLO O=C(CSc1ccc(C(F)(F)F)cn1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366079335 532914102 /nfs/dbraw/zinc/91/41/02/532914102.db2.gz LROIMJFPALYKBO-ZDUSSCGKSA-N 1 2 375.416 2.126 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000366328462 532916511 /nfs/dbraw/zinc/91/65/11/532916511.db2.gz LICHBDUHJIWPKV-DTWKUNHWSA-N 1 2 390.654 2.180 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000366328462 532916512 /nfs/dbraw/zinc/91/65/12/532916512.db2.gz LICHBDUHJIWPKV-DTWKUNHWSA-N 1 2 390.654 2.180 20 0 GEADLO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(Br)cn1 ZINC000366395316 532916936 /nfs/dbraw/zinc/91/69/36/532916936.db2.gz AVUXGHXRZXZXCQ-UKRRQHHQSA-N 1 2 397.317 2.411 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000366428540 532917179 /nfs/dbraw/zinc/91/71/79/532917179.db2.gz IDRZDIIPCIGYKL-HTQZYQBOSA-N 1 2 390.654 2.180 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000366428540 532917180 /nfs/dbraw/zinc/91/71/80/532917180.db2.gz IDRZDIIPCIGYKL-HTQZYQBOSA-N 1 2 390.654 2.180 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc3ccc(Br)cn32)CC1 ZINC000292703903 532917939 /nfs/dbraw/zinc/91/79/39/532917939.db2.gz GXVAUKJMZOXYEL-LLVKDONJSA-N 1 2 398.330 2.137 20 0 GEADLO O=C1NCCCC[C@@H]1[NH+]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000366932097 532922160 /nfs/dbraw/zinc/92/21/60/532922160.db2.gz FYBQWVWWTUIIPO-IRXDYDNUSA-N 1 2 386.323 2.313 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c(Cl)c1 ZINC000292945792 532920408 /nfs/dbraw/zinc/92/04/08/532920408.db2.gz ABRUHPUNKDUGSD-CYBMUJFWSA-N 1 2 389.901 2.262 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c(Cl)c1 ZINC000292945792 532920409 /nfs/dbraw/zinc/92/04/09/532920409.db2.gz ABRUHPUNKDUGSD-CYBMUJFWSA-N 1 2 389.901 2.262 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000292975318 532920592 /nfs/dbraw/zinc/92/05/92/532920592.db2.gz HECDRKIYWSOPIT-SNVBAGLBSA-N 1 2 392.257 2.061 20 0 GEADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1cc(Br)cn(C)c1=O)CCC2 ZINC000366734124 532920905 /nfs/dbraw/zinc/92/09/05/532920905.db2.gz VUBICLKTPYCAAO-LLVKDONJSA-N 1 2 394.273 2.352 20 0 GEADLO C[C@H](C(=O)N1CC[C@H](Nc2cccc(Br)c2)C1)[NH+]1CCN(C)CC1 ZINC000366811415 532921395 /nfs/dbraw/zinc/92/13/95/532921395.db2.gz QCJMHNIRXDHGRK-PBHICJAKSA-N 1 2 395.345 2.098 20 0 GEADLO O=S1(=O)CCC(C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC1 ZINC000366905592 532921777 /nfs/dbraw/zinc/92/17/77/532921777.db2.gz HEGDCYIZPIFGFD-UHFFFAOYSA-N 1 2 377.432 2.047 20 0 GEADLO O=C1[C@@H]([N@@H+]2CCO[C@@]3(CCCOC3)C2)CCN1c1cccc(Br)c1 ZINC000367513231 532925599 /nfs/dbraw/zinc/92/55/99/532925599.db2.gz KASFYJVWCLPQFF-WMZOPIPTSA-N 1 2 395.297 2.436 20 0 GEADLO O=C1[C@@H]([N@H+]2CCO[C@@]3(CCCOC3)C2)CCN1c1cccc(Br)c1 ZINC000367513231 532925601 /nfs/dbraw/zinc/92/56/01/532925601.db2.gz KASFYJVWCLPQFF-WMZOPIPTSA-N 1 2 395.297 2.436 20 0 GEADLO Cn1cc(Br)c(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)n1 ZINC000293188241 532923264 /nfs/dbraw/zinc/92/32/64/532923264.db2.gz FBNJUJICKFUXGT-SECBINFHSA-N 1 2 383.212 2.073 20 0 GEADLO Cn1cc(Br)c(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)n1 ZINC000293188241 532923266 /nfs/dbraw/zinc/92/32/66/532923266.db2.gz FBNJUJICKFUXGT-SECBINFHSA-N 1 2 383.212 2.073 20 0 GEADLO CCOC(=O)c1csc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)n1 ZINC000293286351 532924787 /nfs/dbraw/zinc/92/47/87/532924787.db2.gz JZWRECUKXILCGN-JTQLQIEISA-N 1 2 379.404 2.210 20 0 GEADLO CCOC(=O)c1csc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)n1 ZINC000293286351 532924788 /nfs/dbraw/zinc/92/47/88/532924788.db2.gz JZWRECUKXILCGN-JTQLQIEISA-N 1 2 379.404 2.210 20 0 GEADLO NC(=O)[C@@H]1C[N@H+](Cc2nc3ccccn3c2Br)C[C@H]1C(F)(F)F ZINC000367668594 532926198 /nfs/dbraw/zinc/92/61/98/532926198.db2.gz IQDWAEHOHNCSLL-RKDXNWHRSA-N 1 2 391.191 2.192 20 0 GEADLO NC(=O)[C@@H]1C[N@@H+](Cc2nc3ccccn3c2Br)C[C@H]1C(F)(F)F ZINC000367668594 532926199 /nfs/dbraw/zinc/92/61/99/532926199.db2.gz IQDWAEHOHNCSLL-RKDXNWHRSA-N 1 2 391.191 2.192 20 0 GEADLO Cc1nc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000367746443 532926962 /nfs/dbraw/zinc/92/69/62/532926962.db2.gz GLNKSTPCMDCARG-KCQAQPDRSA-N 1 2 387.933 2.306 20 0 GEADLO CCN1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000367834969 532927854 /nfs/dbraw/zinc/92/78/54/532927854.db2.gz ZEWOBEYLRFKIPD-GFCCVEGCSA-N 1 2 390.843 2.409 20 0 GEADLO NC(=O)C[C@@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000367943848 532928881 /nfs/dbraw/zinc/92/88/81/532928881.db2.gz JFOAXVAUMPUUFO-GUYCJALGSA-N 1 2 394.313 2.310 20 0 GEADLO OCc1cn([C@H]2CCC[N@H+](Cc3nc4ccccn4c3Br)C2)nn1 ZINC000293562590 532928921 /nfs/dbraw/zinc/92/89/21/532928921.db2.gz GGADQPJBIIOOAX-ZDUSSCGKSA-N 1 2 391.273 2.018 20 0 GEADLO OCc1cn([C@H]2CCC[N@@H+](Cc3nc4ccccn4c3Br)C2)nn1 ZINC000293562590 532928922 /nfs/dbraw/zinc/92/89/22/532928922.db2.gz GGADQPJBIIOOAX-ZDUSSCGKSA-N 1 2 391.273 2.018 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1ccncc1I ZINC000368428811 532932219 /nfs/dbraw/zinc/93/22/19/532932219.db2.gz ISMRNCJAEAXKES-GFCCVEGCSA-N 1 2 382.205 2.397 20 0 GEADLO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1Br ZINC000368154578 532930463 /nfs/dbraw/zinc/93/04/63/532930463.db2.gz ZUNRIYBNKJFLLE-VIFPVBQESA-N 1 2 395.232 2.232 20 0 GEADLO Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1Br ZINC000368154578 532930465 /nfs/dbraw/zinc/93/04/65/532930465.db2.gz ZUNRIYBNKJFLLE-VIFPVBQESA-N 1 2 395.232 2.232 20 0 GEADLO C[C@H]1[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCS1(=O)=O ZINC000293923021 532933411 /nfs/dbraw/zinc/93/34/11/532933411.db2.gz MSXBIZRWQXGIFT-XPTSAGLGSA-N 1 2 375.281 2.239 20 0 GEADLO COc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1S(C)(=O)=O ZINC000294184205 532936433 /nfs/dbraw/zinc/93/64/33/532936433.db2.gz ASCRBBUIEUTKGG-CQSZACIVSA-N 1 2 382.507 2.193 20 0 GEADLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000369225818 532937528 /nfs/dbraw/zinc/93/75/28/532937528.db2.gz KNQZBGUFWCSAFQ-GFCCVEGCSA-N 1 2 382.921 2.065 20 0 GEADLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000369225818 532937530 /nfs/dbraw/zinc/93/75/30/532937530.db2.gz KNQZBGUFWCSAFQ-GFCCVEGCSA-N 1 2 382.921 2.065 20 0 GEADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000368976330 532936360 /nfs/dbraw/zinc/93/63/60/532936360.db2.gz VNMPNNHKOOTFIW-RWSFTLGLSA-N 1 2 376.507 2.396 20 0 GEADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000368976330 532936361 /nfs/dbraw/zinc/93/63/61/532936361.db2.gz VNMPNNHKOOTFIW-RWSFTLGLSA-N 1 2 376.507 2.396 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000369764191 532940748 /nfs/dbraw/zinc/94/07/48/532940748.db2.gz BHCXYOKWBXBIPD-SNVBAGLBSA-N 1 2 395.232 2.276 20 0 GEADLO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCCCNC1=O ZINC000369899299 532941339 /nfs/dbraw/zinc/94/13/39/532941339.db2.gz GJBNTDDQOIOSAL-GFCCVEGCSA-N 1 2 390.228 2.266 20 0 GEADLO C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCCCNC1=O ZINC000369899299 532941340 /nfs/dbraw/zinc/94/13/40/532941340.db2.gz GJBNTDDQOIOSAL-GFCCVEGCSA-N 1 2 390.228 2.266 20 0 GEADLO COc1ccc([C@@H](NS(=O)(=O)c2cnc(C)s2)c2[nH+]ccn2C)cc1 ZINC000370779572 532945338 /nfs/dbraw/zinc/94/53/38/532945338.db2.gz LJASHJDEKZWHPW-OAHLLOKOSA-N 1 2 378.479 2.262 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000370856165 532945759 /nfs/dbraw/zinc/94/57/59/532945759.db2.gz LAMNTRYNJMJADW-IUODEOHRSA-N 1 2 380.432 2.141 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000370856165 532945760 /nfs/dbraw/zinc/94/57/60/532945760.db2.gz LAMNTRYNJMJADW-IUODEOHRSA-N 1 2 380.432 2.141 20 0 GEADLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000370591759 532944461 /nfs/dbraw/zinc/94/44/61/532944461.db2.gz BDMLOHUEBQETTE-KBPBESRZSA-N 1 2 385.555 2.091 20 0 GEADLO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000370591759 532944462 /nfs/dbraw/zinc/94/44/62/532944462.db2.gz BDMLOHUEBQETTE-KBPBESRZSA-N 1 2 385.555 2.091 20 0 GEADLO O=Cc1ccc(OCC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(Br)c1 ZINC000371443785 532948108 /nfs/dbraw/zinc/94/81/08/532948108.db2.gz SYLATZNVMTXUFC-NSHDSACASA-N 1 2 378.226 2.037 20 0 GEADLO O=Cc1ccc(OCC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(Br)c1 ZINC000371443785 532948109 /nfs/dbraw/zinc/94/81/09/532948109.db2.gz SYLATZNVMTXUFC-NSHDSACASA-N 1 2 378.226 2.037 20 0 GEADLO CN1C(=O)CSC12CC[NH+](Cc1cn(-c3ccc(Cl)cc3)nn1)CC2 ZINC000371624919 532949141 /nfs/dbraw/zinc/94/91/41/532949141.db2.gz PYHUEPWUICALAO-UHFFFAOYSA-N 1 2 377.901 2.418 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1Br ZINC000371163846 532947126 /nfs/dbraw/zinc/94/71/26/532947126.db2.gz IGHAYAXPXPKDDO-QGZVFWFLSA-N 1 2 383.286 2.060 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(Br)c(F)c3)C2)nn1 ZINC000371845613 532949666 /nfs/dbraw/zinc/94/96/66/532949666.db2.gz GQRHLEZNCPASAK-NSHDSACASA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(Br)c(F)c3)C2)nn1 ZINC000371845613 532949667 /nfs/dbraw/zinc/94/96/67/532949667.db2.gz GQRHLEZNCPASAK-NSHDSACASA-N 1 2 383.221 2.413 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000371848576 532949701 /nfs/dbraw/zinc/94/97/01/532949701.db2.gz WPCQPSSFJLZJDV-FZMZJTMJSA-N 1 2 384.889 2.465 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000371848576 532949702 /nfs/dbraw/zinc/94/97/02/532949702.db2.gz WPCQPSSFJLZJDV-FZMZJTMJSA-N 1 2 384.889 2.465 20 0 GEADLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cc(Br)cnc1Cl)CC2 ZINC000371696918 532949345 /nfs/dbraw/zinc/94/93/45/532949345.db2.gz QYSBYBZEIFRVQV-UHFFFAOYSA-N 1 2 391.678 2.207 20 0 GEADLO Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000020448153 210333943 /nfs/dbraw/zinc/33/39/43/210333943.db2.gz ZVYOARRVVLOZJI-UHFFFAOYSA-N 1 2 387.505 2.112 20 0 GEADLO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738037976 599022899 /nfs/dbraw/zinc/02/28/99/599022899.db2.gz IGFYFEIHJWGSDY-QGZVFWFLSA-N 1 2 397.870 2.482 20 0 GEADLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1ccc(-c2nn[nH]n2)cc1 ZINC000737821009 599059244 /nfs/dbraw/zinc/05/92/44/599059244.db2.gz UEVWIRHYVDLFMM-LJQANCHMSA-N 1 2 393.447 2.201 20 0 GEADLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1ccc(-c2nn[nH]n2)cc1 ZINC000737821009 599059247 /nfs/dbraw/zinc/05/92/47/599059247.db2.gz UEVWIRHYVDLFMM-LJQANCHMSA-N 1 2 393.447 2.201 20 0 GEADLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(OC(F)F)cc1 ZINC000736125517 599088318 /nfs/dbraw/zinc/08/83/18/599088318.db2.gz KMBJYUUHNWVBQS-BONVTDFDSA-N 1 2 388.378 2.345 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC(NC(=O)C(C)C)CC1 ZINC000737408628 599121774 /nfs/dbraw/zinc/12/17/74/599121774.db2.gz JBKYNZADEYWADL-UHFFFAOYSA-N 1 2 379.468 2.464 20 0 GEADLO Cc1ccc([C@@H](C)C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000822227398 599135735 /nfs/dbraw/zinc/13/57/35/599135735.db2.gz HCSXCJDYHACCRT-OAHLLOKOSA-N 1 2 380.452 2.216 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000735561515 599191446 /nfs/dbraw/zinc/19/14/46/599191446.db2.gz LASBFPSNZJQQKK-AWEZNQCLSA-N 1 2 397.508 2.073 20 0 GEADLO Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000822693891 607305807 /nfs/dbraw/zinc/30/58/07/607305807.db2.gz NIZFBABJNYRRSP-ACJLOTCBSA-N 1 2 390.451 2.098 20 0 GEADLO c1ncn(Cc2ccccc2CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)n1 ZINC000738436499 599271493 /nfs/dbraw/zinc/27/14/93/599271493.db2.gz RXDLRPMLJSAUGU-UHFFFAOYSA-N 1 2 383.419 2.089 20 0 GEADLO CC(=O)Nc1cccc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000735489182 598249448 /nfs/dbraw/zinc/24/94/48/598249448.db2.gz VBOYUYMPPANQNC-UHFFFAOYSA-N 1 2 391.479 2.143 20 0 GEADLO O[C@H](C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)c1ccccc1F ZINC000738381799 598256753 /nfs/dbraw/zinc/25/67/53/598256753.db2.gz MXLKRAUQGGPQKI-GOSISDBHSA-N 1 2 386.406 2.001 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000735560067 598256875 /nfs/dbraw/zinc/25/68/75/598256875.db2.gz OXRVMWFSGIMCED-LIRRHRJNSA-N 1 2 392.463 2.440 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000735560067 598256876 /nfs/dbraw/zinc/25/68/76/598256876.db2.gz OXRVMWFSGIMCED-LIRRHRJNSA-N 1 2 392.463 2.440 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)c1C ZINC000737022999 598328479 /nfs/dbraw/zinc/32/84/79/598328479.db2.gz FYNNPMHRCLCDBI-UHFFFAOYSA-N 1 2 399.430 2.368 20 0 GEADLO Cc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503791 598356692 /nfs/dbraw/zinc/35/66/92/598356692.db2.gz YYSDNGBHQFNIDI-SUMWQHHRSA-N 1 2 380.456 2.036 20 0 GEADLO Cc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503791 598356693 /nfs/dbraw/zinc/35/66/93/598356693.db2.gz YYSDNGBHQFNIDI-SUMWQHHRSA-N 1 2 380.456 2.036 20 0 GEADLO Cc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503352 598356787 /nfs/dbraw/zinc/35/67/87/598356787.db2.gz URNMQAGQDOXLGU-ZFWWWQNUSA-N 1 2 380.456 2.036 20 0 GEADLO Cc1nccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503352 598356788 /nfs/dbraw/zinc/35/67/88/598356788.db2.gz URNMQAGQDOXLGU-ZFWWWQNUSA-N 1 2 380.456 2.036 20 0 GEADLO C[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1C[C@H](O)c1ccccc1 ZINC000736290597 598365613 /nfs/dbraw/zinc/36/56/13/598365613.db2.gz RLBOAVHKXHXHSR-JXFKEZNVSA-N 1 2 378.480 2.106 20 0 GEADLO C[C@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1C[C@H](O)c1ccccc1 ZINC000736290597 598365614 /nfs/dbraw/zinc/36/56/14/598365614.db2.gz RLBOAVHKXHXHSR-JXFKEZNVSA-N 1 2 378.480 2.106 20 0 GEADLO CC(C)(C)n1cc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cn1 ZINC000735662115 598366043 /nfs/dbraw/zinc/36/60/43/598366043.db2.gz QFLBMVYGPUDMCU-UHFFFAOYSA-N 1 2 398.490 2.275 20 0 GEADLO C[N@@H+](CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C[C@@H]1CCCO1 ZINC000736786681 598373781 /nfs/dbraw/zinc/37/37/81/598373781.db2.gz BRKKDLRQMFXANJ-LBPRGKRZSA-N 1 2 390.513 2.246 20 0 GEADLO C[N@H+](CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C[C@@H]1CCCO1 ZINC000736786681 598373783 /nfs/dbraw/zinc/37/37/83/598373783.db2.gz BRKKDLRQMFXANJ-LBPRGKRZSA-N 1 2 390.513 2.246 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[nH]n3)cc2)CC1 ZINC000736856600 598400130 /nfs/dbraw/zinc/40/01/30/598400130.db2.gz LBFKFXNRXNKUGF-UHFFFAOYSA-N 1 2 382.399 2.186 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCN(C)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000737548314 598470512 /nfs/dbraw/zinc/47/05/12/598470512.db2.gz NSDXXYYNDBWWAK-AWEZNQCLSA-N 1 2 397.483 2.472 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCN(C)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000737548314 598470513 /nfs/dbraw/zinc/47/05/13/598470513.db2.gz NSDXXYYNDBWWAK-AWEZNQCLSA-N 1 2 397.483 2.472 20 0 GEADLO Clc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)nc1-c1nn[nH]n1 ZINC000737576195 598573963 /nfs/dbraw/zinc/57/39/63/598573963.db2.gz YHPCOPBUMZKMSA-HNNXBMFYSA-N 1 2 385.859 2.401 20 0 GEADLO Cc1ccc(C[N@@H+](C)[C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000737339835 598618003 /nfs/dbraw/zinc/61/80/03/598618003.db2.gz CGJJUNCUKBXWJB-HNNXBMFYSA-N 1 2 382.449 2.001 20 0 GEADLO Cc1ccc(C[N@H+](C)[C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000737339835 598618005 /nfs/dbraw/zinc/61/80/05/598618005.db2.gz CGJJUNCUKBXWJB-HNNXBMFYSA-N 1 2 382.449 2.001 20 0 GEADLO CCC[N@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736471894 598621397 /nfs/dbraw/zinc/62/13/97/598621397.db2.gz XSJQSCNBTKWSAK-UHFFFAOYSA-N 1 2 398.492 2.139 20 0 GEADLO CCC[N@@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736471894 598621398 /nfs/dbraw/zinc/62/13/98/598621398.db2.gz XSJQSCNBTKWSAK-UHFFFAOYSA-N 1 2 398.492 2.139 20 0 GEADLO COc1ccc([C@@H](CNc2ccc(F)cc2-c2nn[nH]n2)[NH+]2CCOCC2)cc1 ZINC000737077241 598630435 /nfs/dbraw/zinc/63/04/35/598630435.db2.gz URORJOIARFQENH-LJQANCHMSA-N 1 2 398.442 2.500 20 0 GEADLO COC(=O)c1ccoc1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736956631 598766877 /nfs/dbraw/zinc/76/68/77/598766877.db2.gz GSQWJOIPJQAKEY-UHFFFAOYSA-N 1 2 383.408 2.290 20 0 GEADLO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000736171926 598808437 /nfs/dbraw/zinc/80/84/37/598808437.db2.gz ZUCOELLGYMNTPZ-CQSZACIVSA-N 1 2 381.440 2.038 20 0 GEADLO C[C@@H](Sc1ccccc1-c1nn[nH]n1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000820554914 599344294 /nfs/dbraw/zinc/34/42/94/599344294.db2.gz BJECYJORKPTPRF-CQSZACIVSA-N 1 2 395.492 2.091 20 0 GEADLO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000820433032 599421799 /nfs/dbraw/zinc/42/17/99/599421799.db2.gz VKEUAHBTFDPYJS-ZDUSSCGKSA-N 1 2 381.440 2.177 20 0 GEADLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821827484 599465662 /nfs/dbraw/zinc/46/56/62/599465662.db2.gz CPEHPAWXSBONMA-UHFFFAOYSA-N 1 2 386.406 2.476 20 0 GEADLO O=C(NCCCCNc1cccc[nH+]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000823187456 599466847 /nfs/dbraw/zinc/46/68/47/599466847.db2.gz LGBXQZGGHWRPTM-UHFFFAOYSA-N 1 2 384.419 2.092 20 0 GEADLO CN(C)c1cccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821591089 599562756 /nfs/dbraw/zinc/56/27/56/599562756.db2.gz VGGSDQJHZILIHY-UHFFFAOYSA-N 1 2 377.496 2.251 20 0 GEADLO CN(C)c1cccc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821591089 599562757 /nfs/dbraw/zinc/56/27/57/599562757.db2.gz VGGSDQJHZILIHY-UHFFFAOYSA-N 1 2 377.496 2.251 20 0 GEADLO CCO[C@H]1C[C@H](O)C12CCN(c1c(-c3nn[nH]n3)c[nH+]c3ccccc31)CC2 ZINC000821357846 599571128 /nfs/dbraw/zinc/57/11/28/599571128.db2.gz FZNKTBZELWDMTM-IRXDYDNUSA-N 1 2 380.452 2.171 20 0 GEADLO C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000736214004 600093352 /nfs/dbraw/zinc/09/33/52/600093352.db2.gz HXOYXZQJUNGQOI-DOTOQJQBSA-N 1 2 382.464 2.219 20 0 GEADLO C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000736214004 600093356 /nfs/dbraw/zinc/09/33/56/600093356.db2.gz HXOYXZQJUNGQOI-DOTOQJQBSA-N 1 2 382.464 2.219 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](CO)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000822559029 607450136 /nfs/dbraw/zinc/45/01/36/607450136.db2.gz UWPKDMSZNNAISI-AWEZNQCLSA-N 1 2 386.481 2.149 20 0 GEADLO Cc1sc(NC(=O)C[N@H+](C)[C@@H](CO)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000822559029 607450139 /nfs/dbraw/zinc/45/01/39/607450139.db2.gz UWPKDMSZNNAISI-AWEZNQCLSA-N 1 2 386.481 2.149 20 0 GEADLO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737506625 600574368 /nfs/dbraw/zinc/57/43/68/600574368.db2.gz ZNVMDPPLVFRBDO-OXQOHEQNSA-N 1 2 398.507 2.139 20 0 GEADLO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737506625 600574370 /nfs/dbraw/zinc/57/43/70/600574370.db2.gz ZNVMDPPLVFRBDO-OXQOHEQNSA-N 1 2 398.507 2.139 20 0 GEADLO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)C[C@H](O)c1ccc(C)cc1 ZINC000821165020 607453898 /nfs/dbraw/zinc/45/38/98/607453898.db2.gz NAWOGEIVGRQDAH-INIZCTEOSA-N 1 2 398.467 2.379 20 0 GEADLO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)C[C@H](O)c1ccc(C)cc1 ZINC000821165020 607453900 /nfs/dbraw/zinc/45/39/00/607453900.db2.gz NAWOGEIVGRQDAH-INIZCTEOSA-N 1 2 398.467 2.379 20 0 GEADLO CC[NH+]1CCC([N@H+](C)CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CC1 ZINC000737112202 600712026 /nfs/dbraw/zinc/71/20/26/600712026.db2.gz IZEDQIPGDCGPJZ-LJQANCHMSA-N 1 2 386.496 2.138 20 0 GEADLO CC[NH+]1CCC([N@@H+](C)CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CC1 ZINC000737112202 600712027 /nfs/dbraw/zinc/71/20/27/600712027.db2.gz IZEDQIPGDCGPJZ-LJQANCHMSA-N 1 2 386.496 2.138 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000736797200 600955180 /nfs/dbraw/zinc/95/51/80/600955180.db2.gz JCFHUUQMTICUCG-QZTJIDSGSA-N 1 2 379.545 2.142 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000736797200 600955182 /nfs/dbraw/zinc/95/51/82/600955182.db2.gz JCFHUUQMTICUCG-QZTJIDSGSA-N 1 2 379.545 2.142 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825493871 607503423 /nfs/dbraw/zinc/50/34/23/607503423.db2.gz PSNGMDXGMPSMSL-GOSISDBHSA-N 1 2 395.463 2.482 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825493871 607503424 /nfs/dbraw/zinc/50/34/24/607503424.db2.gz PSNGMDXGMPSMSL-GOSISDBHSA-N 1 2 395.463 2.482 20 0 GEADLO COc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826195138 607515452 /nfs/dbraw/zinc/51/54/52/607515452.db2.gz JDUJTYYNLFOJTF-IEBWSBKVSA-N 1 2 395.463 2.200 20 0 GEADLO COc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826195138 607515454 /nfs/dbraw/zinc/51/54/54/607515454.db2.gz JDUJTYYNLFOJTF-IEBWSBKVSA-N 1 2 395.463 2.200 20 0 GEADLO C[C@@H](C(=O)[O-])[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000826045265 601654274 /nfs/dbraw/zinc/65/42/74/601654274.db2.gz REXBGWCUPCDCGK-XMSQKQJNSA-N 1 2 395.503 2.382 20 0 GEADLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@@H](NC(=O)[O-])c3ccccc3)C2)CC1 ZINC000739731462 602716332 /nfs/dbraw/zinc/71/63/32/602716332.db2.gz KUNNUJBZIVQPMI-PKOBYXMFSA-N 1 2 388.512 2.060 20 0 GEADLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC[C@@H](NC(=O)[O-])c3ccccc3)C2)CC1 ZINC000739731462 602716333 /nfs/dbraw/zinc/71/63/33/602716333.db2.gz KUNNUJBZIVQPMI-PKOBYXMFSA-N 1 2 388.512 2.060 20 0 GEADLO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C12CCC2 ZINC000825582348 607640565 /nfs/dbraw/zinc/64/05/65/607640565.db2.gz JSOGHPDSGWMZPC-KBPBESRZSA-N 1 2 388.472 2.295 20 0 GEADLO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C12CCC2 ZINC000825582348 607640566 /nfs/dbraw/zinc/64/05/66/607640566.db2.gz JSOGHPDSGWMZPC-KBPBESRZSA-N 1 2 388.472 2.295 20 0 GEADLO COc1cccc([C@@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3OC)CCO2)c1 ZINC000826215576 607643210 /nfs/dbraw/zinc/64/32/10/607643210.db2.gz SXNQJRWCHPIFDU-IBGZPJMESA-N 1 2 381.436 2.457 20 0 GEADLO COc1cccc([C@@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3OC)CCO2)c1 ZINC000826215576 607643212 /nfs/dbraw/zinc/64/32/12/607643212.db2.gz SXNQJRWCHPIFDU-IBGZPJMESA-N 1 2 381.436 2.457 20 0 GEADLO O=C([O-])CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000833774167 605226250 /nfs/dbraw/zinc/22/62/50/605226250.db2.gz ZEQFCESVRNFUGD-INIZCTEOSA-N 1 2 379.888 2.364 20 0 GEADLO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1-c1nn[nH]n1 ZINC000826193470 607749638 /nfs/dbraw/zinc/74/96/38/607749638.db2.gz DXPJGNRBDVABFF-GUYCJALGSA-N 1 2 387.390 2.461 20 0 GEADLO COc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1-c1nn[nH]n1 ZINC000826193470 607749639 /nfs/dbraw/zinc/74/96/39/607749639.db2.gz DXPJGNRBDVABFF-GUYCJALGSA-N 1 2 387.390 2.461 20 0 GEADLO O=C([O-])NC1CCC(Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CC1 ZINC000834168674 605641815 /nfs/dbraw/zinc/64/18/15/605641815.db2.gz PXLGPCDCTLOTJJ-UHFFFAOYSA-N 1 2 387.484 2.428 20 0 GEADLO Cc1cc(NCCNC(=O)c2csc(S(C)(=O)=O)c2)nc(C(C)C)[nH+]1 ZINC000529846036 649960838 /nfs/dbraw/zinc/96/08/38/649960838.db2.gz RFHCMGDVSZPDOW-UHFFFAOYSA-N 1 2 382.511 2.215 20 0 GEADLO O=C([O-])N[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000834157856 605791892 /nfs/dbraw/zinc/79/18/92/605791892.db2.gz IQMOQULEAYIJJO-IOMROCGXSA-N 1 2 381.476 2.449 20 0 GEADLO O=C([O-])N[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000834157856 605791896 /nfs/dbraw/zinc/79/18/96/605791896.db2.gz IQMOQULEAYIJJO-IOMROCGXSA-N 1 2 381.476 2.449 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000821595124 606026912 /nfs/dbraw/zinc/02/69/12/606026912.db2.gz NGXYXNKDVUPMHV-VOTSOKGWSA-N 1 2 376.411 2.068 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000821595124 606026916 /nfs/dbraw/zinc/02/69/16/606026916.db2.gz NGXYXNKDVUPMHV-VOTSOKGWSA-N 1 2 376.411 2.068 20 0 GEADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1O ZINC000821795381 606076996 /nfs/dbraw/zinc/07/69/96/606076996.db2.gz YKGLXDFMXMRIHB-LBPRGKRZSA-N 1 2 382.424 2.040 20 0 GEADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1O ZINC000821795381 606077000 /nfs/dbraw/zinc/07/70/00/606077000.db2.gz YKGLXDFMXMRIHB-LBPRGKRZSA-N 1 2 382.424 2.040 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)c(-c2nn[nH]n2)c1C ZINC000822559226 606108260 /nfs/dbraw/zinc/10/82/60/606108260.db2.gz YTAHHZKOBSQWCW-ZDUSSCGKSA-N 1 2 398.496 2.153 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3ccncn3)C2)c(-c2nn[nH]n2)c1C ZINC000822559226 606108261 /nfs/dbraw/zinc/10/82/61/606108261.db2.gz YTAHHZKOBSQWCW-ZDUSSCGKSA-N 1 2 398.496 2.153 20 0 GEADLO COc1cc(C[N@H+](C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)ccc1O ZINC000821716961 606110254 /nfs/dbraw/zinc/11/02/54/606110254.db2.gz IMLVSKRKBSUHGZ-UHFFFAOYSA-N 1 2 393.407 2.263 20 0 GEADLO COc1cc(C[N@@H+](C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)ccc1O ZINC000821716961 606110256 /nfs/dbraw/zinc/11/02/56/606110256.db2.gz IMLVSKRKBSUHGZ-UHFFFAOYSA-N 1 2 393.407 2.263 20 0 GEADLO C[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCc2ccccc21 ZINC000821604844 606185850 /nfs/dbraw/zinc/18/58/50/606185850.db2.gz JOXXONAPXNFBAT-SFHVURJKSA-N 1 2 383.477 2.260 20 0 GEADLO C[N@@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCc2ccccc21 ZINC000821604844 606185851 /nfs/dbraw/zinc/18/58/51/606185851.db2.gz JOXXONAPXNFBAT-SFHVURJKSA-N 1 2 383.477 2.260 20 0 GEADLO C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821622289 606186241 /nfs/dbraw/zinc/18/62/41/606186241.db2.gz YKKDZBBULRFRBK-UHFFFAOYSA-N 1 2 397.571 2.495 20 0 GEADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(-c3nn[nH]n3)cn2C)C[C@@H](C)O1 ZINC000820758833 606230699 /nfs/dbraw/zinc/23/06/99/606230699.db2.gz DOEAZQPMBGHXCY-ZIAGYGMSSA-N 1 2 395.467 2.067 20 0 GEADLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cs1 ZINC000821504191 606306212 /nfs/dbraw/zinc/30/62/12/606306212.db2.gz CWOIVBOLSGFWGJ-MWLCHTKSSA-N 1 2 389.510 2.403 20 0 GEADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000821651863 606319050 /nfs/dbraw/zinc/31/90/50/606319050.db2.gz HPGQAYKHMZJVMQ-MSOLQXFVSA-N 1 2 378.436 2.267 20 0 GEADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000821651863 606319051 /nfs/dbraw/zinc/31/90/51/606319051.db2.gz HPGQAYKHMZJVMQ-MSOLQXFVSA-N 1 2 378.436 2.267 20 0 GEADLO CC[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821000634 606333706 /nfs/dbraw/zinc/33/37/06/606333706.db2.gz HMCRAWFODABHEX-ROUUACIJSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@H]1CN2CCCC[C@H]2C[N@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821000634 606333707 /nfs/dbraw/zinc/33/37/07/606333707.db2.gz HMCRAWFODABHEX-ROUUACIJSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821000823 606334431 /nfs/dbraw/zinc/33/44/31/606334431.db2.gz JZRCDLDUCQCHQO-ZWKOTPCHSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821000823 606334432 /nfs/dbraw/zinc/33/44/32/606334432.db2.gz JZRCDLDUCQCHQO-ZWKOTPCHSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821000636 606334442 /nfs/dbraw/zinc/33/44/42/606334442.db2.gz HMCRAWFODABHEX-ZWKOTPCHSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821000636 606334444 /nfs/dbraw/zinc/33/44/44/606334444.db2.gz HMCRAWFODABHEX-ZWKOTPCHSA-N 1 2 383.500 2.144 20 0 GEADLO CCN1CC[NH+](Cc2ccc(CNc3cccc(-c4nn[nH]n4)n3)cc2)CC1 ZINC000821277104 606455040 /nfs/dbraw/zinc/45/50/40/606455040.db2.gz PVDTXNAPGMZVOM-UHFFFAOYSA-N 1 2 378.484 2.011 20 0 GEADLO O=C(c1cc(-c2nn[nH]n2)cs1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000823472181 606536492 /nfs/dbraw/zinc/53/64/92/606536492.db2.gz CNOQBRIRGBODJN-UHFFFAOYSA-N 1 2 386.456 2.415 20 0 GEADLO O=C(c1cc(-c2nn[nH]n2)cs1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000823472181 606536493 /nfs/dbraw/zinc/53/64/93/606536493.db2.gz CNOQBRIRGBODJN-UHFFFAOYSA-N 1 2 386.456 2.415 20 0 GEADLO CCC1(C(=O)N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)CC1 ZINC000820944293 606542718 /nfs/dbraw/zinc/54/27/18/606542718.db2.gz JTLADISWVKUIAG-UHFFFAOYSA-N 1 2 377.452 2.254 20 0 GEADLO C[C@H](N1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1)C(F)(F)F ZINC000820307094 606615726 /nfs/dbraw/zinc/61/57/26/606615726.db2.gz IJWJRGOGGAJRQS-ZDUSSCGKSA-N 1 2 384.406 2.204 20 0 GEADLO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000819864943 606622796 /nfs/dbraw/zinc/62/27/96/606622796.db2.gz AFWPAWKZLPLVEA-QYSRSOONSA-N 1 2 398.492 2.063 20 0 GEADLO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000819864943 606622797 /nfs/dbraw/zinc/62/27/97/606622797.db2.gz AFWPAWKZLPLVEA-QYSRSOONSA-N 1 2 398.492 2.063 20 0 GEADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823261099 606665570 /nfs/dbraw/zinc/66/55/70/606665570.db2.gz ADKBILOPAOZUTO-UHFFFAOYSA-N 1 2 395.373 2.320 20 0 GEADLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1F ZINC000822694230 606849423 /nfs/dbraw/zinc/84/94/23/606849423.db2.gz ZFCXOXYKKNYPHN-ZWKOTPCHSA-N 1 2 393.426 2.152 20 0 GEADLO C[C@H](N1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1)C(F)(F)F ZINC000820306922 606908396 /nfs/dbraw/zinc/90/83/96/606908396.db2.gz HHDKLQUDRHLKJX-ZDUSSCGKSA-N 1 2 384.406 2.204 20 0 GEADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1)c1ccco1 ZINC000823674815 606916586 /nfs/dbraw/zinc/91/65/86/606916586.db2.gz RXPHLHIQTJSTIY-NVXWUHKLSA-N 1 2 394.435 2.037 20 0 GEADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1cn2ccccc2c1-c1nn[nH]n1)c1ccco1 ZINC000823674815 606916588 /nfs/dbraw/zinc/91/65/88/606916588.db2.gz RXPHLHIQTJSTIY-NVXWUHKLSA-N 1 2 394.435 2.037 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)c1C ZINC000821698388 607017300 /nfs/dbraw/zinc/01/73/00/607017300.db2.gz HUNVFVZVWYRRJZ-UHFFFAOYSA-N 1 2 396.451 2.361 20 0 GEADLO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000819991534 607020881 /nfs/dbraw/zinc/02/08/81/607020881.db2.gz IFNACLAQRZBGJP-OAHLLOKOSA-N 1 2 381.440 2.084 20 0 GEADLO CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)c3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC000820197583 607046960 /nfs/dbraw/zinc/04/69/60/607046960.db2.gz METSMGLXFJJVCL-INIZCTEOSA-N 1 2 395.467 2.325 20 0 GEADLO CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)c3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC000820197583 607046962 /nfs/dbraw/zinc/04/69/62/607046962.db2.gz METSMGLXFJJVCL-INIZCTEOSA-N 1 2 395.467 2.325 20 0 GEADLO COc1cccc(OCCN2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000821877590 607076702 /nfs/dbraw/zinc/07/67/02/607076702.db2.gz MXAFKBNHINCVOQ-UHFFFAOYSA-N 1 2 394.479 2.072 20 0 GEADLO COc1cccc(OCC[NH+]2CCN(Cc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000821877590 607076704 /nfs/dbraw/zinc/07/67/04/607076704.db2.gz MXAFKBNHINCVOQ-UHFFFAOYSA-N 1 2 394.479 2.072 20 0 GEADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820340779 607093467 /nfs/dbraw/zinc/09/34/67/607093467.db2.gz NGDRCNIMFKYVFW-JKIFEVAISA-N 1 2 380.456 2.417 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)c(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC000822214900 607226405 /nfs/dbraw/zinc/22/64/05/607226405.db2.gz CNWYQMKFNIRRIT-UHFFFAOYSA-N 1 2 399.886 2.425 20 0 GEADLO Cc1cccc([C@@H](CNc2nc(C)ccc2-c2nn[nH]n2)[NH+]2CCOCC2)c1 ZINC000822289519 607227493 /nfs/dbraw/zinc/22/74/93/607227493.db2.gz YISZRJLPBQEJTN-GOSISDBHSA-N 1 2 379.468 2.364 20 0 GEADLO C[C@H](c1cccs1)[N@H+](C)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824770048 607815129 /nfs/dbraw/zinc/81/51/29/607815129.db2.gz DAUZDLYTEOSPNR-GFCCVEGCSA-N 1 2 377.495 2.395 20 0 GEADLO C[C@H](c1cccs1)[N@@H+](C)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824770048 607815130 /nfs/dbraw/zinc/81/51/30/607815130.db2.gz DAUZDLYTEOSPNR-GFCCVEGCSA-N 1 2 377.495 2.395 20 0 GEADLO CC[N@H+](CCc1ccccc1)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825424601 607815348 /nfs/dbraw/zinc/81/53/48/607815348.db2.gz LGLDZMWJKYGGQS-UHFFFAOYSA-N 1 2 385.493 2.205 20 0 GEADLO CC[N@@H+](CCc1ccccc1)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825424601 607815349 /nfs/dbraw/zinc/81/53/49/607815349.db2.gz LGLDZMWJKYGGQS-UHFFFAOYSA-N 1 2 385.493 2.205 20 0 GEADLO CC[C@](C)([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1nccs1 ZINC000825045277 607829605 /nfs/dbraw/zinc/82/96/05/607829605.db2.gz YXPHMKIADHZKDQ-INIZCTEOSA-N 1 2 392.510 2.012 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826029211 607849609 /nfs/dbraw/zinc/84/96/09/607849609.db2.gz QPGNKDPNYPHXMQ-ZFWWWQNUSA-N 1 2 389.822 2.163 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826029211 607849610 /nfs/dbraw/zinc/84/96/10/607849610.db2.gz QPGNKDPNYPHXMQ-ZFWWWQNUSA-N 1 2 389.822 2.163 20 0 GEADLO CC(C)Oc1cccc(C[N@H+](C)[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824334225 607926091 /nfs/dbraw/zinc/92/60/91/607926091.db2.gz SEGXNYIKCBDOKR-SFHVURJKSA-N 1 2 380.452 2.312 20 0 GEADLO CC(C)Oc1cccc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824334225 607926092 /nfs/dbraw/zinc/92/60/92/607926092.db2.gz SEGXNYIKCBDOKR-SFHVURJKSA-N 1 2 380.452 2.312 20 0 GEADLO CS[C@H](C)CC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000826224694 607937394 /nfs/dbraw/zinc/93/73/94/607937394.db2.gz KCXSGXZMFIKQGJ-CYBMUJFWSA-N 1 2 397.508 2.205 20 0 GEADLO CC(C)(C)C1=CC[N@@H+]([C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824071771 607981547 /nfs/dbraw/zinc/98/15/47/607981547.db2.gz MUDFSADPTWZSQT-INIZCTEOSA-N 1 2 380.452 2.177 20 0 GEADLO CC(C)(C)C1=CC[N@H+]([C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824071771 607981548 /nfs/dbraw/zinc/98/15/48/607981548.db2.gz MUDFSADPTWZSQT-INIZCTEOSA-N 1 2 380.452 2.177 20 0 GEADLO OC1(C(F)(F)F)CC[NH+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)CC1 ZINC000826505603 608019138 /nfs/dbraw/zinc/01/91/38/608019138.db2.gz ZWFSTFZWXNMYKU-UHFFFAOYSA-N 1 2 393.373 2.077 20 0 GEADLO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C(=O)OC)c1ccc(-c2nn[nH]n2)cc1 ZINC000825398886 608157754 /nfs/dbraw/zinc/15/77/54/608157754.db2.gz AFQNPWXKMKUFAN-RBUKOAKNSA-N 1 2 395.463 2.445 20 0 GEADLO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C(=O)OC)c1ccc(-c2nn[nH]n2)cc1 ZINC000825398886 608157756 /nfs/dbraw/zinc/15/77/56/608157756.db2.gz AFQNPWXKMKUFAN-RBUKOAKNSA-N 1 2 395.463 2.445 20 0 GEADLO O=C(N[C@@H]1CC12CCCCC2)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826428889 608165218 /nfs/dbraw/zinc/16/52/18/608165218.db2.gz OJTNAKZNJXNSGT-GOSISDBHSA-N 1 2 395.511 2.417 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](Nc2cccc(-c3nn[nH]n3)n2)c2ccc(Cl)cc2)C1 ZINC000826045099 608235197 /nfs/dbraw/zinc/23/51/97/608235197.db2.gz PFRJMNLIOKYXEC-DOTOQJQBSA-N 1 2 385.859 2.399 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](Nc2cccc(-c3nn[nH]n3)n2)c2ccc(Cl)cc2)C1 ZINC000826045099 608235199 /nfs/dbraw/zinc/23/51/99/608235199.db2.gz PFRJMNLIOKYXEC-DOTOQJQBSA-N 1 2 385.859 2.399 20 0 GEADLO O=C(OCCn1cc[nH+]c1)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826464116 608255705 /nfs/dbraw/zinc/25/57/05/608255705.db2.gz JFGJJGGAXONUHM-UHFFFAOYSA-N 1 2 390.403 2.499 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)c(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000826274896 608286494 /nfs/dbraw/zinc/28/64/94/608286494.db2.gz IGSOXEOCLQYEFK-QGZVFWFLSA-N 1 2 399.886 2.079 20 0 GEADLO O=C(NCCn1cc[nH+]c1)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000826440141 608292473 /nfs/dbraw/zinc/29/24/73/608292473.db2.gz ACOYGRVSUDFWIA-UHFFFAOYSA-N 1 2 388.435 2.230 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1Cn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000826173890 608322896 /nfs/dbraw/zinc/32/28/96/608322896.db2.gz ZQYLOEWELTZQPL-LBPRGKRZSA-N 1 2 379.424 2.066 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000826167854 608372092 /nfs/dbraw/zinc/37/20/92/608372092.db2.gz SYPJRLSTMACROI-KRWDZBQOSA-N 1 2 378.436 2.113 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000826167854 608372093 /nfs/dbraw/zinc/37/20/93/608372093.db2.gz SYPJRLSTMACROI-KRWDZBQOSA-N 1 2 378.436 2.113 20 0 GEADLO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826473546 608388080 /nfs/dbraw/zinc/38/80/80/608388080.db2.gz CGYZJPLKQQVEKM-UHFFFAOYSA-N 1 2 398.417 2.493 20 0 GEADLO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826473546 608388082 /nfs/dbraw/zinc/38/80/82/608388082.db2.gz CGYZJPLKQQVEKM-UHFFFAOYSA-N 1 2 398.417 2.493 20 0 GEADLO CCOc1cccc(N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)n1 ZINC000825649844 608393756 /nfs/dbraw/zinc/39/37/56/608393756.db2.gz ZLJPOSXSSITIHY-UHFFFAOYSA-N 1 2 383.431 2.122 20 0 GEADLO Fc1c(C[NH+]2CCN(c3ncnc4sccc43)CC2)cccc1-c1nn[nH]n1 ZINC000826371196 608403221 /nfs/dbraw/zinc/40/32/21/608403221.db2.gz WNCUGRJFDKAZRX-UHFFFAOYSA-N 1 2 396.455 2.333 20 0 GEADLO C[C@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824627279 608467696 /nfs/dbraw/zinc/46/76/96/608467696.db2.gz VWXHOKNNNXIITR-NSHDSACASA-N 1 2 391.391 2.496 20 0 GEADLO COc1ccc([C@H](CNc2nc(-c3nn[nH]n3)ccc2C)[NH+]2CCOCC2)cc1 ZINC000826189565 608541077 /nfs/dbraw/zinc/54/10/77/608541077.db2.gz YMWBZYHUVSGLKT-SFHVURJKSA-N 1 2 395.467 2.064 20 0 GEADLO COc1ccccc1C[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826219691 608590380 /nfs/dbraw/zinc/59/03/80/608590380.db2.gz MNVQFPBLZIOHBU-UHFFFAOYSA-N 1 2 381.440 2.063 20 0 GEADLO c1cc(C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cc2c1COC2 ZINC000826518569 608591096 /nfs/dbraw/zinc/59/10/96/608591096.db2.gz RSZJYNPFKWYNIF-UHFFFAOYSA-N 1 2 393.451 2.085 20 0 GEADLO C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000824984694 608686281 /nfs/dbraw/zinc/68/62/81/608686281.db2.gz MKXWJMRSYMXVHN-PBHICJAKSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000824984694 608686283 /nfs/dbraw/zinc/68/62/83/608686283.db2.gz MKXWJMRSYMXVHN-PBHICJAKSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CCN1C[C@H](O)c1ccccc1 ZINC000824984694 608686286 /nfs/dbraw/zinc/68/62/86/608686286.db2.gz MKXWJMRSYMXVHN-PBHICJAKSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)CCN1C[C@H](O)c1ccccc1 ZINC000824984694 608686288 /nfs/dbraw/zinc/68/62/88/608686288.db2.gz MKXWJMRSYMXVHN-PBHICJAKSA-N 1 2 384.509 2.168 20 0 GEADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CCO1 ZINC000826306793 608710444 /nfs/dbraw/zinc/71/04/44/608710444.db2.gz LJBXEDFJHULKFX-SFHVURJKSA-N 1 2 375.436 2.396 20 0 GEADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CCO1 ZINC000826306793 608710446 /nfs/dbraw/zinc/71/04/46/608710446.db2.gz LJBXEDFJHULKFX-SFHVURJKSA-N 1 2 375.436 2.396 20 0 GEADLO COCCOc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826163003 608853555 /nfs/dbraw/zinc/85/35/55/608853555.db2.gz BTSMBQDVQDOHFJ-HXUWFJFHSA-N 1 2 395.463 2.465 20 0 GEADLO COCCOc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826163003 608853557 /nfs/dbraw/zinc/85/35/57/608853557.db2.gz BTSMBQDVQDOHFJ-HXUWFJFHSA-N 1 2 395.463 2.465 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@H]2C[N@H+](Cc3ccc(N4CCCC4)nc3)CCO2)c1 ZINC000826513323 608855607 /nfs/dbraw/zinc/85/56/07/608855607.db2.gz IJJLCTPIVFSJHR-LJQANCHMSA-N 1 2 391.479 2.435 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@H]2C[N@@H+](Cc3ccc(N4CCCC4)nc3)CCO2)c1 ZINC000826513323 608855608 /nfs/dbraw/zinc/85/56/08/608855608.db2.gz IJJLCTPIVFSJHR-LJQANCHMSA-N 1 2 391.479 2.435 20 0 GEADLO CC(C)C[C@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000824236882 609254342 /nfs/dbraw/zinc/25/43/42/609254342.db2.gz PONHNNSDXATRLA-RISCZKNCSA-N 1 2 394.443 2.473 20 0 GEADLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000826134399 609297043 /nfs/dbraw/zinc/29/70/43/609297043.db2.gz XBUZPEJQQXZFCI-INIZCTEOSA-N 1 2 395.467 2.278 20 0 GEADLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000826134399 609297045 /nfs/dbraw/zinc/29/70/45/609297045.db2.gz XBUZPEJQQXZFCI-INIZCTEOSA-N 1 2 395.467 2.278 20 0 GEADLO FC(F)O[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000826369424 609298068 /nfs/dbraw/zinc/29/80/68/609298068.db2.gz BODPNDROGGGOQS-LBPRGKRZSA-N 1 2 377.355 2.120 20 0 GEADLO FC(F)O[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000826369424 609298069 /nfs/dbraw/zinc/29/80/69/609298069.db2.gz BODPNDROGGGOQS-LBPRGKRZSA-N 1 2 377.355 2.120 20 0 GEADLO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c(C)n1 ZINC000826178064 609408326 /nfs/dbraw/zinc/40/83/26/609408326.db2.gz ISCJFVIHAAYBKK-GOSISDBHSA-N 1 2 380.452 2.461 20 0 GEADLO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c(C)n1 ZINC000826178064 609408329 /nfs/dbraw/zinc/40/83/29/609408329.db2.gz ISCJFVIHAAYBKK-GOSISDBHSA-N 1 2 380.452 2.461 20 0 GEADLO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c(C)n1 ZINC000826178065 609408495 /nfs/dbraw/zinc/40/84/95/609408495.db2.gz ISCJFVIHAAYBKK-SFHVURJKSA-N 1 2 380.452 2.461 20 0 GEADLO COc1cc(C)c(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c(C)n1 ZINC000826178065 609408496 /nfs/dbraw/zinc/40/84/96/609408496.db2.gz ISCJFVIHAAYBKK-SFHVURJKSA-N 1 2 380.452 2.461 20 0 GEADLO NC(Cc1ccccc1)=[NH+]O[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826393863 609430066 /nfs/dbraw/zinc/43/00/66/609430066.db2.gz MSHFJUHYLCARSH-KRWDZBQOSA-N 1 2 391.435 2.103 20 0 GEADLO C[C@@H]1CCC[C@@H]1C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000824928471 609499706 /nfs/dbraw/zinc/49/97/06/609499706.db2.gz TUURVUAJICNJSW-CABCVRRESA-N 1 2 391.479 2.500 20 0 GEADLO CC(C)(C)OC(=O)CCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000824099829 609516201 /nfs/dbraw/zinc/51/62/01/609516201.db2.gz JJSDORUIOXWJDQ-UHFFFAOYSA-N 1 2 390.463 2.250 20 0 GEADLO COc1cc(C)[nH+]c(CSCc2nnnn2CCOCC(F)(F)F)c1 ZINC000446695260 649986896 /nfs/dbraw/zinc/98/68/96/649986896.db2.gz FYYNFRBZCXDTJN-UHFFFAOYSA-N 1 2 377.392 2.397 20 0 GEADLO OC[C@H]([NH2+]Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCCO1 ZINC000447923794 650010698 /nfs/dbraw/zinc/01/06/98/650010698.db2.gz UESBFOSYLFWRJH-KBPBESRZSA-N 1 2 382.258 2.052 20 0 GEADLO OC[C@@H]([NH2+]Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCCO1 ZINC000447923795 650010731 /nfs/dbraw/zinc/01/07/31/650010731.db2.gz UESBFOSYLFWRJH-KGLIPLIRSA-N 1 2 382.258 2.052 20 0 GEADLO COC(=O)CN(CCc1cc(Cl)cc(Cl)c1)CC[NH+]1CCOCC1 ZINC000447351367 650006042 /nfs/dbraw/zinc/00/60/42/650006042.db2.gz YREPAFNHCDMSDA-UHFFFAOYSA-N 1 2 375.296 2.343 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000447397195 650006233 /nfs/dbraw/zinc/00/62/33/650006233.db2.gz ZDEWOPVQEZJVPJ-OCCSQVGLSA-N 1 2 398.301 2.171 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000447397195 650006234 /nfs/dbraw/zinc/00/62/34/650006234.db2.gz ZDEWOPVQEZJVPJ-OCCSQVGLSA-N 1 2 398.301 2.171 20 0 GEADLO C[C@H](C[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449026322 650030139 /nfs/dbraw/zinc/03/01/39/650030139.db2.gz FKAWXJIOCKNOLY-OLMNPRSZSA-N 1 2 387.567 2.481 20 0 GEADLO C[C@H](C[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449026322 650030141 /nfs/dbraw/zinc/03/01/41/650030141.db2.gz FKAWXJIOCKNOLY-OLMNPRSZSA-N 1 2 387.567 2.481 20 0 GEADLO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1nn(C)cc1Br ZINC000449487190 650041609 /nfs/dbraw/zinc/04/16/09/650041609.db2.gz WVNGUGHLBBUIEX-MRVPVSSYSA-N 1 2 377.084 2.320 20 0 GEADLO CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000450222483 650062332 /nfs/dbraw/zinc/06/23/32/650062332.db2.gz CYCUZPDLAJUJPX-GFCCVEGCSA-N 1 2 381.325 2.461 20 0 GEADLO CNC(=O)C[NH+]1CCN(c2cc3nccc(Br)c3cc2C)CC1 ZINC000450224728 650062425 /nfs/dbraw/zinc/06/24/25/650062425.db2.gz VSPIULJGTIAPTG-UHFFFAOYSA-N 1 2 377.286 2.174 20 0 GEADLO COCC(=O)N1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450253113 650063101 /nfs/dbraw/zinc/06/31/01/650063101.db2.gz MOROWNYHNSIOFT-UHFFFAOYSA-N 1 2 382.233 2.431 20 0 GEADLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1Cl ZINC000450498605 650066178 /nfs/dbraw/zinc/06/61/78/650066178.db2.gz IWKGCPHTUAJIRI-CQSZACIVSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1Cl ZINC000450498605 650066181 /nfs/dbraw/zinc/06/61/81/650066181.db2.gz IWKGCPHTUAJIRI-CQSZACIVSA-N 1 2 386.901 2.127 20 0 GEADLO O=S1(=O)CC[C@@](O)(CNc2cc[nH+]c3cc(F)c(Br)cc23)C1 ZINC000450631818 650068352 /nfs/dbraw/zinc/06/83/52/650068352.db2.gz HRBSZUQXWHCIGW-CQSZACIVSA-N 1 2 389.246 2.098 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)CS(=O)(=O)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000450950411 650076388 /nfs/dbraw/zinc/07/63/88/650076388.db2.gz VSSPTLQLJCATBE-CQSZACIVSA-N 1 2 378.416 2.002 20 0 GEADLO Cc1ccc(Br)cc1C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000451045803 650081601 /nfs/dbraw/zinc/08/16/01/650081601.db2.gz DVTLCJGHTHNJDX-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO Cc1ccc(Br)cc1C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000451045803 650081604 /nfs/dbraw/zinc/08/16/04/650081604.db2.gz DVTLCJGHTHNJDX-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000451135977 650089579 /nfs/dbraw/zinc/08/95/79/650089579.db2.gz NECMQAKEKVISRS-UHFFFAOYSA-N 1 2 397.248 2.426 20 0 GEADLO O=S(=O)(C[C@@H]1CCCCC1(F)F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000451199337 650096008 /nfs/dbraw/zinc/09/60/08/650096008.db2.gz QYUHGMKWOAYYTO-CVEARBPZSA-N 1 2 380.501 2.186 20 0 GEADLO CCOC[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000451361793 650107482 /nfs/dbraw/zinc/10/74/82/650107482.db2.gz OZZHEDJAILQWEH-VUCTXSBTSA-N 1 2 376.469 2.302 20 0 GEADLO CCOC[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000451361793 650107485 /nfs/dbraw/zinc/10/74/85/650107485.db2.gz OZZHEDJAILQWEH-VUCTXSBTSA-N 1 2 376.469 2.302 20 0 GEADLO CCOC[C@@H](C)CS(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000451458077 650116668 /nfs/dbraw/zinc/11/66/68/650116668.db2.gz DVYDADGJKJGCID-SJLPKXTDSA-N 1 2 386.583 2.196 20 0 GEADLO CCOC[C@@H](C)CS(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000451458077 650116670 /nfs/dbraw/zinc/11/66/70/650116670.db2.gz DVYDADGJKJGCID-SJLPKXTDSA-N 1 2 386.583 2.196 20 0 GEADLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000451939231 650155458 /nfs/dbraw/zinc/15/54/58/650155458.db2.gz YSEJDCBBQSQSAV-LBPRGKRZSA-N 1 2 381.420 2.128 20 0 GEADLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000451939231 650155460 /nfs/dbraw/zinc/15/54/60/650155460.db2.gz YSEJDCBBQSQSAV-LBPRGKRZSA-N 1 2 381.420 2.128 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@@]2(CCSC2)C1 ZINC000454371573 650264413 /nfs/dbraw/zinc/26/44/13/650264413.db2.gz YOKIVEHEMVUMTB-QZTJIDSGSA-N 1 2 385.599 2.123 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CCO1 ZINC000455704925 650313613 /nfs/dbraw/zinc/31/36/13/650313613.db2.gz OCYWCXJJWIQLHB-VXGBXAGGSA-N 1 2 380.436 2.465 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CCO1 ZINC000455704925 650313617 /nfs/dbraw/zinc/31/36/17/650313617.db2.gz OCYWCXJJWIQLHB-VXGBXAGGSA-N 1 2 380.436 2.465 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000456204978 650334034 /nfs/dbraw/zinc/33/40/34/650334034.db2.gz MYACXQFMKZNEKV-IYBDPMFKSA-N 1 2 382.302 2.108 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000456204978 650334035 /nfs/dbraw/zinc/33/40/35/650334035.db2.gz MYACXQFMKZNEKV-IYBDPMFKSA-N 1 2 382.302 2.108 20 0 GEADLO COc1cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)sc1Br ZINC000456208475 650334042 /nfs/dbraw/zinc/33/40/42/650334042.db2.gz ISDYHGJZHYZSTP-AOOOYVTPSA-N 1 2 377.304 2.046 20 0 GEADLO COc1cc(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)sc1Br ZINC000456208475 650334043 /nfs/dbraw/zinc/33/40/43/650334043.db2.gz ISDYHGJZHYZSTP-AOOOYVTPSA-N 1 2 377.304 2.046 20 0 GEADLO Cc1ccc(C[C@@H](CO)CNC(=O)CCc2c[nH]c[nH+]2)cc1Br ZINC000456482856 650342526 /nfs/dbraw/zinc/34/25/26/650342526.db2.gz FSCAMOPJTKYZRL-CQSZACIVSA-N 1 2 380.286 2.381 20 0 GEADLO Cc1ccc(C[C@@H](CO)CNC(=O)CCc2c[nH+]c[nH]2)cc1Br ZINC000456482856 650342528 /nfs/dbraw/zinc/34/25/28/650342528.db2.gz FSCAMOPJTKYZRL-CQSZACIVSA-N 1 2 380.286 2.381 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000456482190 650342542 /nfs/dbraw/zinc/34/25/42/650342542.db2.gz IMCABVZYMZKLBR-NSHDSACASA-N 1 2 384.249 2.130 20 0 GEADLO O=C(CCn1cc[nH+]c1)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456706960 650355466 /nfs/dbraw/zinc/35/54/66/650355466.db2.gz CRVGDWMVOVLCEY-CYBMUJFWSA-N 1 2 384.249 2.142 20 0 GEADLO Cc1cc(C)c(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c[nH+]1 ZINC000456858486 650364256 /nfs/dbraw/zinc/36/42/56/650364256.db2.gz LWWTYRSKDHIBFT-OAHLLOKOSA-N 1 2 379.507 2.229 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)NCc1nc2c(cccc2Br)[nH]1 ZINC000457385166 650377405 /nfs/dbraw/zinc/37/74/05/650377405.db2.gz LPBUOQQOSDESMF-UHFFFAOYSA-N 1 2 377.246 2.411 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)c2cc(Br)cnc2OCC2CC2)c1 ZINC000457858784 650386864 /nfs/dbraw/zinc/38/68/64/650386864.db2.gz FUBHXLLOQGNALI-UHFFFAOYSA-N 1 2 379.258 2.339 20 0 GEADLO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000501825898 650397910 /nfs/dbraw/zinc/39/79/10/650397910.db2.gz LDWHCDWYFQDGCN-CYBMUJFWSA-N 1 2 397.235 2.369 20 0 GEADLO O=C(CCn1cc[nH+]c1)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000458164684 650398451 /nfs/dbraw/zinc/39/84/51/650398451.db2.gz ZHCICNMYIQOPRU-CYBMUJFWSA-N 1 2 384.249 2.142 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H](O)[C@H](C)C3)[nH+]c12 ZINC000501915424 650399216 /nfs/dbraw/zinc/39/92/16/650399216.db2.gz OEQIAKNWJZOAPI-IUODEOHRSA-N 1 2 395.301 2.360 20 0 GEADLO CC[C@@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H](O)C(F)F ZINC000458687140 650407508 /nfs/dbraw/zinc/40/75/08/650407508.db2.gz MLJCRKXTEMWUGO-HUUCEWRRSA-N 1 2 375.847 2.402 20 0 GEADLO CC[C@@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H](O)C(F)F ZINC000458687140 650407512 /nfs/dbraw/zinc/40/75/12/650407512.db2.gz MLJCRKXTEMWUGO-HUUCEWRRSA-N 1 2 375.847 2.402 20 0 GEADLO Cc1ccc(C[C@H](CO)CNC(=O)NCc2c[nH+]cn2C)cc1Br ZINC000458799300 650410904 /nfs/dbraw/zinc/41/09/04/650410904.db2.gz FSFRWHDHVCOANW-AWEZNQCLSA-N 1 2 395.301 2.141 20 0 GEADLO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nnc(S(C)(=O)=O)s1 ZINC000503200971 650415271 /nfs/dbraw/zinc/41/52/71/650415271.db2.gz XKBUEKIJAMYDGS-NOZJJQNGSA-N 1 2 375.903 2.461 20 0 GEADLO C[C@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1nc2c(s1)CCC2 ZINC000459628471 650429523 /nfs/dbraw/zinc/42/95/23/650429523.db2.gz CQLFYUVZEHDMHT-NSHDSACASA-N 1 2 379.507 2.325 20 0 GEADLO C[C@H]([NH2+]CC(=O)Nc1cccc(I)c1)c1ccn(C)n1 ZINC000459768733 650432415 /nfs/dbraw/zinc/43/24/15/650432415.db2.gz ADQRDYBTEFTSLL-JTQLQIEISA-N 1 2 384.221 2.314 20 0 GEADLO O=C(c1cc[nH]c(=O)c1Br)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000505567179 650438808 /nfs/dbraw/zinc/43/88/08/650438808.db2.gz WGHKXSWUFFUSAS-ZDUSSCGKSA-N 1 2 380.217 2.476 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000460136156 650439591 /nfs/dbraw/zinc/43/95/91/650439591.db2.gz UHNQZJSGCYVIDK-NSHDSACASA-N 1 2 390.245 2.437 20 0 GEADLO O=C(C[NH+]1CCN(Cc2cc(F)ccc2Br)CC1)N1CCCC1 ZINC000506027137 650442970 /nfs/dbraw/zinc/44/29/70/650442970.db2.gz OCEPJEAUYKAYOR-UHFFFAOYSA-N 1 2 384.293 2.328 20 0 GEADLO O=S(=O)(CCc1ccccc1Br)N1CC[NH+](C2CCC2)CC1 ZINC000462084589 650466435 /nfs/dbraw/zinc/46/64/35/650466435.db2.gz OAJXXOADANNJDX-UHFFFAOYSA-N 1 2 387.343 2.492 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(I)c1 ZINC000507965842 650470894 /nfs/dbraw/zinc/47/08/94/650470894.db2.gz OQXVCXOADJCSAH-QWRGUYRKSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(I)c1 ZINC000507965842 650470895 /nfs/dbraw/zinc/47/08/95/650470895.db2.gz OQXVCXOADJCSAH-QWRGUYRKSA-N 1 2 394.278 2.004 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000507986345 650471715 /nfs/dbraw/zinc/47/17/15/650471715.db2.gz SMKVNQNWXDOIMG-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000507986345 650471717 /nfs/dbraw/zinc/47/17/17/650471717.db2.gz SMKVNQNWXDOIMG-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000462484059 650481702 /nfs/dbraw/zinc/48/17/02/650481702.db2.gz POVJBCYOFSXLRW-ZDUSSCGKSA-N 1 2 378.226 2.177 20 0 GEADLO Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508534497 650481917 /nfs/dbraw/zinc/48/19/17/650481917.db2.gz SHUPZMQLRSWHKI-CYBMUJFWSA-N 1 2 392.301 2.156 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000463346945 650493810 /nfs/dbraw/zinc/49/38/10/650493810.db2.gz VOKXBXZRHZXGAG-HNNXBMFYSA-N 1 2 380.432 2.322 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000470960372 650517526 /nfs/dbraw/zinc/51/75/26/650517526.db2.gz RQDPIUKCHQKDFY-UHFFFAOYSA-N 1 2 387.311 2.204 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511064119 650524854 /nfs/dbraw/zinc/52/48/54/650524854.db2.gz JMZRNEHDDJYUPL-KBPBESRZSA-N 1 2 387.933 2.270 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511064119 650524856 /nfs/dbraw/zinc/52/48/56/650524856.db2.gz JMZRNEHDDJYUPL-KBPBESRZSA-N 1 2 387.933 2.270 20 0 GEADLO O=C(c1cccc(Br)c1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000473975492 650525868 /nfs/dbraw/zinc/52/58/68/650525868.db2.gz IMJCWQUAMQMZDJ-MRXNPFEDSA-N 1 2 383.286 2.012 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511095070 650525857 /nfs/dbraw/zinc/52/58/57/650525857.db2.gz IDDHGJLCEBQROG-UONOGXRCSA-N 1 2 387.933 2.270 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511095070 650525861 /nfs/dbraw/zinc/52/58/61/650525861.db2.gz IDDHGJLCEBQROG-UONOGXRCSA-N 1 2 387.933 2.270 20 0 GEADLO Cc1cc(C)n2c(C[NH2+][C@H](C(N)=O)c3cccc(Br)c3)cnc2n1 ZINC000475433793 650533361 /nfs/dbraw/zinc/53/33/61/650533361.db2.gz YUGJIZCMKUWITC-HNNXBMFYSA-N 1 2 388.269 2.425 20 0 GEADLO C[C@@](CO)([NH2+]Cc1ncnn1CC(F)F)c1ccc(Br)cc1 ZINC000511591670 650539214 /nfs/dbraw/zinc/53/92/14/650539214.db2.gz GTHMZDAUPYTORM-AWEZNQCLSA-N 1 2 375.217 2.303 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1 ZINC000476574181 650554341 /nfs/dbraw/zinc/55/43/41/650554341.db2.gz WGWSMNHUUHUCFV-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO Cc1ccnc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000513653080 650567177 /nfs/dbraw/zinc/56/71/77/650567177.db2.gz CHLDUVWJFFCAQP-AWEZNQCLSA-N 1 2 381.523 2.323 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2cncc(Br)c2)cn1 ZINC000514751109 650578361 /nfs/dbraw/zinc/57/83/61/650578361.db2.gz DQTRTFBOMCEXLZ-UHFFFAOYSA-N 1 2 389.257 2.117 20 0 GEADLO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000515294534 650590927 /nfs/dbraw/zinc/59/09/27/650590927.db2.gz WWKGGDCMOPNNIE-HZPDHXFCSA-N 1 2 382.917 2.177 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000479146124 650597415 /nfs/dbraw/zinc/59/74/15/650597415.db2.gz UNASSMAKLIZKEJ-GFCCVEGCSA-N 1 2 386.279 2.240 20 0 GEADLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000521441182 650617504 /nfs/dbraw/zinc/61/75/04/650617504.db2.gz FFXSBMQFNVNDET-XHDPSFHLSA-N 1 2 379.869 2.086 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000524600933 650643594 /nfs/dbraw/zinc/64/35/94/650643594.db2.gz XNJMYLBEAVLCAU-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000524600933 650643597 /nfs/dbraw/zinc/64/35/97/650643597.db2.gz XNJMYLBEAVLCAU-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NCC1(S(C)(=O)=O)CCC1)c1ccc(Cl)cc1 ZINC000527516767 650677351 /nfs/dbraw/zinc/67/73/51/650677351.db2.gz UCFYTGYAZZOMMB-OAHLLOKOSA-N 1 2 387.933 2.209 20 0 GEADLO O=C([C@@H]1SCCc2sccc21)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000483365149 650677422 /nfs/dbraw/zinc/67/74/22/650677422.db2.gz NABQPNZWEFPWHU-RHSMWYFYSA-N 1 2 382.551 2.028 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000528357379 650690480 /nfs/dbraw/zinc/69/04/80/650690480.db2.gz NWGMNVWDICSJOD-ZDUSSCGKSA-N 1 2 391.896 2.211 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000528357379 650690482 /nfs/dbraw/zinc/69/04/82/650690482.db2.gz NWGMNVWDICSJOD-ZDUSSCGKSA-N 1 2 391.896 2.211 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000485256897 650694644 /nfs/dbraw/zinc/69/46/44/650694644.db2.gz QODJDTKZPZHYCV-GFCCVEGCSA-N 1 2 376.463 2.239 20 0 GEADLO Cc1cc(F)c(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(Cl)c1 ZINC000529251490 650702030 /nfs/dbraw/zinc/70/20/30/650702030.db2.gz DDVNORRULSBVTP-UHFFFAOYSA-N 1 2 391.896 2.418 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000486252267 650709863 /nfs/dbraw/zinc/70/98/63/650709863.db2.gz JMYSEVLJWBHWCE-BETUJISGSA-N 1 2 376.906 2.126 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000486252267 650709867 /nfs/dbraw/zinc/70/98/67/650709867.db2.gz JMYSEVLJWBHWCE-BETUJISGSA-N 1 2 376.906 2.126 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000486252268 650709923 /nfs/dbraw/zinc/70/99/23/650709923.db2.gz JMYSEVLJWBHWCE-CHWSQXEVSA-N 1 2 376.906 2.126 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000530034001 650711099 /nfs/dbraw/zinc/71/10/99/650711099.db2.gz SUJBGMWOPYEOJK-KGLIPLIRSA-N 1 2 379.309 2.290 20 0 GEADLO CCOCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486575835 650716022 /nfs/dbraw/zinc/71/60/22/650716022.db2.gz LMEYOFMZUBETSD-IRXDYDNUSA-N 1 2 376.469 2.445 20 0 GEADLO CCOCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486575835 650716026 /nfs/dbraw/zinc/71/60/26/650716026.db2.gz LMEYOFMZUBETSD-IRXDYDNUSA-N 1 2 376.469 2.445 20 0 GEADLO CS(=O)(=O)c1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)ccc1Cl ZINC000487321304 650732772 /nfs/dbraw/zinc/73/27/72/650732772.db2.gz KQYDUWVXGNNXCS-OAHLLOKOSA-N 1 2 386.901 2.325 20 0 GEADLO CS(=O)(=O)c1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)ccc1Cl ZINC000487321304 650732776 /nfs/dbraw/zinc/73/27/76/650732776.db2.gz KQYDUWVXGNNXCS-OAHLLOKOSA-N 1 2 386.901 2.325 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(Br)ccc2OC)CC1 ZINC000531069676 650734402 /nfs/dbraw/zinc/73/44/02/650734402.db2.gz SKHNJCMWLDWNBA-GFCCVEGCSA-N 1 2 399.285 2.167 20 0 GEADLO Cc1cc(Br)cnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000531569918 650741037 /nfs/dbraw/zinc/74/10/37/650741037.db2.gz ICBMLGOGAYFFCG-AWEZNQCLSA-N 1 2 381.318 2.285 20 0 GEADLO O=C1CCc2cc(Cl)c(S(=O)(=O)NCCNc3cccc[nH+]3)cc2N1 ZINC000532121129 650745208 /nfs/dbraw/zinc/74/52/08/650745208.db2.gz IJCZFICEHGMXJE-UHFFFAOYSA-N 1 2 380.857 2.010 20 0 GEADLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC000025795629 642427858 /nfs/dbraw/zinc/42/78/58/642427858.db2.gz KERLMAWWZCJYIY-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)Nc1cccnc1Cl ZINC000025795629 642427864 /nfs/dbraw/zinc/42/78/64/642427864.db2.gz KERLMAWWZCJYIY-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO Cc1nc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)sc1C ZINC000532934642 650755320 /nfs/dbraw/zinc/75/53/20/650755320.db2.gz XZQCZEUGTZLJNF-UHFFFAOYSA-N 1 2 381.523 2.071 20 0 GEADLO OC[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1ccc(Br)cc1 ZINC000489003295 650753414 /nfs/dbraw/zinc/75/34/14/650753414.db2.gz ADPGYBQBOKLLSC-AWEZNQCLSA-N 1 2 379.258 2.221 20 0 GEADLO OC[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1ccc(Br)cc1 ZINC000489003295 650753416 /nfs/dbraw/zinc/75/34/16/650753416.db2.gz ADPGYBQBOKLLSC-AWEZNQCLSA-N 1 2 379.258 2.221 20 0 GEADLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000042641491 642554271 /nfs/dbraw/zinc/55/42/71/642554271.db2.gz COCMTEDTLZOJOD-CYBMUJFWSA-N 1 2 387.571 2.184 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000533547727 650761968 /nfs/dbraw/zinc/76/19/68/650761968.db2.gz JFEATGXKOGZZOR-SWLSCSKDSA-N 1 2 392.253 2.239 20 0 GEADLO CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000044296861 642573455 /nfs/dbraw/zinc/57/34/55/642573455.db2.gz XECXBPHXJYKHGR-UHFFFAOYSA-N 1 2 378.431 2.044 20 0 GEADLO O=C(NCCNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccs1 ZINC000046926205 642619303 /nfs/dbraw/zinc/61/93/03/642619303.db2.gz XXEBBADEKVGBID-UHFFFAOYSA-N 1 2 378.523 2.067 20 0 GEADLO O=S(=O)(CCN1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000052164414 642711098 /nfs/dbraw/zinc/71/10/98/642711098.db2.gz VYRXPMIIQXAMSB-UHFFFAOYSA-N 1 2 387.343 2.250 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000052694518 642725244 /nfs/dbraw/zinc/72/52/44/642725244.db2.gz IRKLVJHUFOQLPC-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000052694518 642725249 /nfs/dbraw/zinc/72/52/49/642725249.db2.gz IRKLVJHUFOQLPC-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000052711600 642726188 /nfs/dbraw/zinc/72/61/88/642726188.db2.gz YHTFYFMQPRWFSD-UHFFFAOYSA-N 1 2 386.539 2.421 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000052749897 642726602 /nfs/dbraw/zinc/72/66/02/642726602.db2.gz FTAAEWRNZMLCMJ-OLZOCXBDSA-N 1 2 391.269 2.203 20 0 GEADLO COC(=O)c1cc(I)cc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000534939700 650782358 /nfs/dbraw/zinc/78/23/58/650782358.db2.gz CXSSMAXWIHMCEL-UHFFFAOYSA-N 1 2 399.188 2.303 20 0 GEADLO NC(=O)NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000055879663 642783992 /nfs/dbraw/zinc/78/39/92/642783992.db2.gz PWWUFLMJAZZPBQ-HNNXBMFYSA-N 1 2 380.217 2.462 20 0 GEADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000057061627 642802715 /nfs/dbraw/zinc/80/27/15/642802715.db2.gz NQZGPTGNSZSTOS-UHFFFAOYSA-N 1 2 380.279 2.335 20 0 GEADLO O=C(CCNC(=O)OCC(F)(F)F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000057193010 642807709 /nfs/dbraw/zinc/80/77/09/642807709.db2.gz VXPJBXQBCNEOMJ-UHFFFAOYSA-N 1 2 379.404 2.071 20 0 GEADLO O=C(NCCn1cc[nH+]c1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000057200811 642808147 /nfs/dbraw/zinc/80/81/47/642808147.db2.gz XPSYLKWXXWAUKD-AWEZNQCLSA-N 1 2 392.301 2.471 20 0 GEADLO CC1CCN(C(=S)SCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000061045412 642840282 /nfs/dbraw/zinc/84/02/82/642840282.db2.gz ZDXYZRBOZQMASG-UHFFFAOYSA-N 1 2 378.567 2.480 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(Br)cn2)C1 ZINC000535264080 650786415 /nfs/dbraw/zinc/78/64/15/650786415.db2.gz CRKHSNBIHKTJAB-AWEZNQCLSA-N 1 2 382.283 2.309 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(Br)cn2)C1 ZINC000535264080 650786417 /nfs/dbraw/zinc/78/64/17/650786417.db2.gz CRKHSNBIHKTJAB-AWEZNQCLSA-N 1 2 382.283 2.309 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000063759398 642862917 /nfs/dbraw/zinc/86/29/17/642862917.db2.gz ASKCLDWQZGBDGP-UHFFFAOYSA-N 1 2 396.329 2.182 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000063759398 642862924 /nfs/dbraw/zinc/86/29/24/642862924.db2.gz ASKCLDWQZGBDGP-UHFFFAOYSA-N 1 2 396.329 2.182 20 0 GEADLO COc1cc(Br)c(CNC(=O)NCCn2cc[nH+]c2)cc1OC ZINC000066149394 642899100 /nfs/dbraw/zinc/89/91/00/642899100.db2.gz MYJJFFYMMDZINQ-UHFFFAOYSA-N 1 2 383.246 2.162 20 0 GEADLO O=C(NCCn1cc[nH+]c1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000066340613 642909538 /nfs/dbraw/zinc/90/95/38/642909538.db2.gz YWIKZRIQBFEVQQ-AWEZNQCLSA-N 1 2 392.301 2.471 20 0 GEADLO CC1(C)C(=O)NCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000066528429 642919381 /nfs/dbraw/zinc/91/93/81/642919381.db2.gz LQBVMTFEHAQGHI-NSHDSACASA-N 1 2 391.693 2.053 20 0 GEADLO CC1(C)C(=O)NCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000066528429 642919385 /nfs/dbraw/zinc/91/93/85/642919385.db2.gz LQBVMTFEHAQGHI-NSHDSACASA-N 1 2 391.693 2.053 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000066880007 642944765 /nfs/dbraw/zinc/94/47/65/642944765.db2.gz OBDWSKQUGQTFBR-ZDUSSCGKSA-N 1 2 387.933 2.413 20 0 GEADLO CCCCN(CCCC)C(=O)C[NH+]1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000066882853 642945649 /nfs/dbraw/zinc/94/56/49/642945649.db2.gz LWCGRERRONNCNK-UHFFFAOYSA-N 1 2 375.579 2.161 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCc2cc(Br)ccc2C1 ZINC000493959946 650799620 /nfs/dbraw/zinc/79/96/20/650799620.db2.gz IBMIMGUGNRTZKN-QGZVFWFLSA-N 1 2 394.313 2.380 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCc2cc(Br)ccc2C1 ZINC000493959946 650799623 /nfs/dbraw/zinc/79/96/23/650799623.db2.gz IBMIMGUGNRTZKN-QGZVFWFLSA-N 1 2 394.313 2.380 20 0 GEADLO C#CCC[NH+]1CCN(S(=O)(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000066914237 642949371 /nfs/dbraw/zinc/94/93/71/642949371.db2.gz OKSOYZPSOREQFN-RIYZIHGNSA-N 1 2 383.311 2.391 20 0 GEADLO CCCc1csc(C[NH2+]Cc2cccc(S(=O)(=O)NCCOC)c2)n1 ZINC000494046845 650800892 /nfs/dbraw/zinc/80/08/92/650800892.db2.gz HBJYMDNGCQUWSA-UHFFFAOYSA-N 1 2 383.539 2.310 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000068506204 643003827 /nfs/dbraw/zinc/00/38/27/643003827.db2.gz MVWOEFPUVXXEBE-UHFFFAOYSA-N 1 2 397.299 2.371 20 0 GEADLO C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1cccc(Cl)c1 ZINC000069040310 643019148 /nfs/dbraw/zinc/01/91/48/643019148.db2.gz CFYIVLJMQJCVTF-CYBMUJFWSA-N 1 2 387.933 2.209 20 0 GEADLO CNC(=O)c1cccc(NC(=O)NCCNc2cccc[nH+]2)c1Br ZINC000494518136 650810169 /nfs/dbraw/zinc/81/01/69/650810169.db2.gz HFMZSJKLTQNZKS-UHFFFAOYSA-N 1 2 392.257 2.437 20 0 GEADLO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1OC ZINC000093530926 643077523 /nfs/dbraw/zinc/07/75/23/643077523.db2.gz BSNMXGJUNGUYGV-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1OC ZINC000093530926 643077528 /nfs/dbraw/zinc/07/75/28/643077528.db2.gz BSNMXGJUNGUYGV-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000093843538 643080886 /nfs/dbraw/zinc/08/08/86/643080886.db2.gz VWYVLCNUONLNNO-CQSZACIVSA-N 1 2 396.329 2.283 20 0 GEADLO NS(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000537212624 650811649 /nfs/dbraw/zinc/81/16/49/650811649.db2.gz VTFCJIJACYOFTH-UHFFFAOYSA-N 1 2 376.825 2.425 20 0 GEADLO CCNC(=O)N1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000096968003 643092130 /nfs/dbraw/zinc/09/21/30/643092130.db2.gz POKRZZQHOGGKEH-GFCCVEGCSA-N 1 2 376.284 2.080 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC000102924960 643145721 /nfs/dbraw/zinc/14/57/21/643145721.db2.gz DCVXWPYJTAEOFF-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)Nc1cccnc1Cl ZINC000102924960 643145725 /nfs/dbraw/zinc/14/57/25/643145725.db2.gz DCVXWPYJTAEOFF-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO COc1nc(N2CC[NH+](C/C=C/c3ccncc3)CC2)ncc1Br ZINC000494943126 650819380 /nfs/dbraw/zinc/81/93/80/650819380.db2.gz UBEGNCLENPVHJP-NSCUHMNNSA-N 1 2 390.285 2.478 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1cc(F)c(F)cc1F ZINC000105048161 643199999 /nfs/dbraw/zinc/19/99/99/643199999.db2.gz JQBRHWANHUZXPS-INIZCTEOSA-N 1 2 375.416 2.433 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000105610247 643211478 /nfs/dbraw/zinc/21/14/78/643211478.db2.gz LEKBDKRBIVPUCD-HNNXBMFYSA-N 1 2 382.302 2.008 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000105610247 643211483 /nfs/dbraw/zinc/21/14/83/643211483.db2.gz LEKBDKRBIVPUCD-HNNXBMFYSA-N 1 2 382.302 2.008 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CCc1ccc(Br)cc1 ZINC000106530986 643232894 /nfs/dbraw/zinc/23/28/94/643232894.db2.gz ROELUYDWNZAGMM-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000106805990 643239740 /nfs/dbraw/zinc/23/97/40/643239740.db2.gz CRBZGQMDCYLVCO-KRWDZBQOSA-N 1 2 380.330 2.230 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCCCn1cc[nH+]c1 ZINC000109107956 643289380 /nfs/dbraw/zinc/28/93/80/643289380.db2.gz MNWFWIIJHCMKDR-SNVBAGLBSA-N 1 2 385.287 2.032 20 0 GEADLO Cc1cc(OC[C@H](O)C[N@@H+]2CCSC[C@@H]2C(N)=O)c(C(C)C)cc1Cl ZINC000538037141 650828277 /nfs/dbraw/zinc/82/82/77/650828277.db2.gz HRGLJXYYLGKDHC-CZUORRHYSA-N 1 2 386.945 2.414 20 0 GEADLO Cc1cc(OC[C@H](O)C[N@H+]2CCSC[C@@H]2C(N)=O)c(C(C)C)cc1Cl ZINC000538037141 650828280 /nfs/dbraw/zinc/82/82/80/650828280.db2.gz HRGLJXYYLGKDHC-CZUORRHYSA-N 1 2 386.945 2.414 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]2CCCO2)C1 ZINC000109762338 643300754 /nfs/dbraw/zinc/30/07/54/643300754.db2.gz ARVPRHNQGIILAZ-ZBFHGGJFSA-N 1 2 375.437 2.456 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]2CCCO2)C1 ZINC000109762338 643300758 /nfs/dbraw/zinc/30/07/58/643300758.db2.gz ARVPRHNQGIILAZ-ZBFHGGJFSA-N 1 2 375.437 2.456 20 0 GEADLO CS(=O)(=O)c1ccc(OCCC[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000110115931 643306087 /nfs/dbraw/zinc/30/60/87/643306087.db2.gz DWGTUEWQQXUJED-GJZGRUSLSA-N 1 2 381.416 2.247 20 0 GEADLO CS(=O)(=O)c1ccc(OCCC[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000110115931 643306092 /nfs/dbraw/zinc/30/60/92/643306092.db2.gz DWGTUEWQQXUJED-GJZGRUSLSA-N 1 2 381.416 2.247 20 0 GEADLO CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000110224851 643308767 /nfs/dbraw/zinc/30/87/67/643308767.db2.gz QZNSEEZJGCVQLF-UHFFFAOYSA-N 1 2 376.463 2.436 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C2CC2)C1 ZINC000111234476 643330971 /nfs/dbraw/zinc/33/09/71/643330971.db2.gz PVWNNDXJJRWCAY-OLZOCXBDSA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C2CC2)C1 ZINC000111234476 643330975 /nfs/dbraw/zinc/33/09/75/643330975.db2.gz PVWNNDXJJRWCAY-OLZOCXBDSA-N 1 2 394.320 2.385 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1c[nH]c2ccc(Br)cc21 ZINC000497003865 650831810 /nfs/dbraw/zinc/83/18/10/650831810.db2.gz KSQDKNNCAXYHET-AWEZNQCLSA-N 1 2 391.225 2.168 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1c[nH]c2ccc(Br)cc21 ZINC000497003865 650831812 /nfs/dbraw/zinc/83/18/12/650831812.db2.gz KSQDKNNCAXYHET-AWEZNQCLSA-N 1 2 391.225 2.168 20 0 GEADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000111376917 643338870 /nfs/dbraw/zinc/33/88/70/643338870.db2.gz MALFVMXCUNYDSA-WDEREUQCSA-N 1 2 382.511 2.031 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000113003192 643379959 /nfs/dbraw/zinc/37/99/59/643379959.db2.gz NEOASVLWPGPDLJ-RYUDHWBXSA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000113003192 643379961 /nfs/dbraw/zinc/37/99/61/643379961.db2.gz NEOASVLWPGPDLJ-RYUDHWBXSA-N 1 2 384.325 2.488 20 0 GEADLO O=C(COc1ccc(Br)cc1)N1CC[NH+](CCOCC2CC2)CC1 ZINC000119812897 643572528 /nfs/dbraw/zinc/57/25/28/643572528.db2.gz CFRFIQNOOIONIC-UHFFFAOYSA-N 1 2 397.313 2.399 20 0 GEADLO CC(C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[NH+](C)C ZINC000120037074 643587438 /nfs/dbraw/zinc/58/74/38/643587438.db2.gz COSCXKFWEWRHGN-AWEZNQCLSA-N 1 2 382.511 2.469 20 0 GEADLO CC(C)(CNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl)[NH+]1CCOCC1 ZINC000124755719 643689563 /nfs/dbraw/zinc/68/95/63/643689563.db2.gz JKPPBBROYNMSGI-AWEZNQCLSA-N 1 2 390.311 2.437 20 0 GEADLO C[NH+](C)CCN1CCC(CNC(=O)c2ccc(Br)cc2O)CC1 ZINC000124881282 643691964 /nfs/dbraw/zinc/69/19/64/643691964.db2.gz ZENFVVYTEBVZML-UHFFFAOYSA-N 1 2 384.318 2.158 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1cncc(Br)c1 ZINC000126409449 643731855 /nfs/dbraw/zinc/73/18/55/643731855.db2.gz GIQLKXGKHAXXJT-UHFFFAOYSA-N 1 2 395.261 2.017 20 0 GEADLO O=C(CCc1nnc[nH]1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000126871152 643749172 /nfs/dbraw/zinc/74/91/72/643749172.db2.gz FQOYMSYOURQKAY-UHFFFAOYSA-N 1 2 392.301 2.281 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCSc1ccc(Cl)cc1 ZINC000498907621 650869190 /nfs/dbraw/zinc/86/91/90/650869190.db2.gz NXBITCYEGFMGRZ-UHFFFAOYSA-N 1 2 378.947 2.074 20 0 GEADLO Cc1nc(N2CC[NH+](Cc3cnc(N4CCOCC4)s3)CC2)sc1C ZINC000131290277 643870300 /nfs/dbraw/zinc/87/03/00/643870300.db2.gz SXKJVCGKOKYELG-UHFFFAOYSA-N 1 2 379.555 2.375 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(Cn2ncn(C)c2=O)CC1 ZINC000132414798 643882476 /nfs/dbraw/zinc/88/24/76/643882476.db2.gz WKVNGRNFJJOATN-INIZCTEOSA-N 1 2 394.317 2.071 20 0 GEADLO O=C(Nc1ccccc1Br)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000151393793 643942646 /nfs/dbraw/zinc/94/26/46/643942646.db2.gz YLWJDMROPSQEOV-ZDUSSCGKSA-N 1 2 390.237 2.463 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2cncc(Br)c2)c1C ZINC000153957809 644013000 /nfs/dbraw/zinc/01/30/00/644013000.db2.gz YBMLKGPZEHFCHV-UHFFFAOYSA-N 1 2 393.241 2.119 20 0 GEADLO C[C@H]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000154433587 644040958 /nfs/dbraw/zinc/04/09/58/644040958.db2.gz JIYHWBXQFSNBEV-FZMZJTMJSA-N 1 2 392.257 2.089 20 0 GEADLO C[C@@H]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000154433701 644041483 /nfs/dbraw/zinc/04/14/83/644041483.db2.gz JIYHWBXQFSNBEV-BXUZGUMPSA-N 1 2 392.257 2.089 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCc2ccccc2Br)c(N(C)C)[nH+]1 ZINC000156584433 644105283 /nfs/dbraw/zinc/10/52/83/644105283.db2.gz HOEFKYHAMULYAF-UHFFFAOYSA-N 1 2 391.269 2.473 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)ccc1Cl ZINC000156787159 644117923 /nfs/dbraw/zinc/11/79/23/644117923.db2.gz YHCPGMAXXLXPIT-AWEZNQCLSA-N 1 2 386.857 2.301 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000500110272 650897060 /nfs/dbraw/zinc/89/70/60/650897060.db2.gz KFTGWIXZQAKUKI-UHFFFAOYSA-N 1 2 389.880 2.296 20 0 GEADLO CS(=O)(=O)c1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000161919141 644225288 /nfs/dbraw/zinc/22/52/88/644225288.db2.gz CEDQNKAXKGMDSA-HNNXBMFYSA-N 1 2 397.294 2.169 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000171001956 644300412 /nfs/dbraw/zinc/30/04/12/644300412.db2.gz WTXVDYWDEUOSQV-OAHLLOKOSA-N 1 2 379.258 2.429 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCc2cc(F)ccc2Br)CCO1 ZINC000171017187 644301688 /nfs/dbraw/zinc/30/16/88/644301688.db2.gz QULRLNQGHROHMZ-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCc2cc(F)ccc2Br)CCO1 ZINC000171017187 644301694 /nfs/dbraw/zinc/30/16/94/644301694.db2.gz QULRLNQGHROHMZ-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000171907111 644334360 /nfs/dbraw/zinc/33/43/60/644334360.db2.gz XDECZCBYOMPZBX-OAHLLOKOSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000171907111 644334363 /nfs/dbraw/zinc/33/43/63/644334363.db2.gz XDECZCBYOMPZBX-OAHLLOKOSA-N 1 2 390.311 2.437 20 0 GEADLO Cn1ccc([C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)c2ccc(Cl)cc2)n1 ZINC000543626750 650916256 /nfs/dbraw/zinc/91/62/56/650916256.db2.gz KOCZVFZOIIGJEX-WBVHZDCISA-N 1 2 382.917 2.177 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)c(Br)n1 ZINC000179509623 644463037 /nfs/dbraw/zinc/46/30/37/644463037.db2.gz DDFJBXDCLLXXFN-UHFFFAOYSA-N 1 2 392.257 2.104 20 0 GEADLO Cc1cc(Br)cc(C[NH+]2CCN(CC(=O)N3CCCC3)CC2)c1O ZINC000179600910 644465428 /nfs/dbraw/zinc/46/54/28/644465428.db2.gz OCGLHWQMNMOSDX-UHFFFAOYSA-N 1 2 396.329 2.203 20 0 GEADLO C[C@@H]([NH2+]Cc1csc(-c2ncccn2)n1)c1cccc(S(N)(=O)=O)c1 ZINC000543989608 650929941 /nfs/dbraw/zinc/92/99/41/650929941.db2.gz SBQKKYBGLZXONK-LLVKDONJSA-N 1 2 375.479 2.098 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000182003543 644955413 /nfs/dbraw/zinc/95/54/13/644955413.db2.gz ZAIZPITVSZRMES-UHFFFAOYSA-N 1 2 388.917 2.373 20 0 GEADLO Brc1cc(C[NH2+]Cc2nnnn2CC2CC2)cc2c1OCCCO2 ZINC000545315371 650969002 /nfs/dbraw/zinc/96/90/02/650969002.db2.gz QFBIDRDLXSRILU-UHFFFAOYSA-N 1 2 394.273 2.297 20 0 GEADLO CCOCCOCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000545354597 650970677 /nfs/dbraw/zinc/97/06/77/650970677.db2.gz DHQPAKWVFAUTAY-UHFFFAOYSA-N 1 2 384.274 2.117 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)[C@@H](C)C1 ZINC000184239251 645013384 /nfs/dbraw/zinc/01/33/84/645013384.db2.gz CRRPGNGWRIPLSA-OIOXUXFSSA-N 1 2 386.901 2.210 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)[C@@H](C)C1 ZINC000184239251 645013387 /nfs/dbraw/zinc/01/33/87/645013387.db2.gz CRRPGNGWRIPLSA-OIOXUXFSSA-N 1 2 386.901 2.210 20 0 GEADLO COC(=O)[C@@H](O)C1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000184989155 645029751 /nfs/dbraw/zinc/02/97/51/645029751.db2.gz OPSRWLQTVFPJJP-HNNXBMFYSA-N 1 2 382.258 2.071 20 0 GEADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000186379196 645065704 /nfs/dbraw/zinc/06/57/04/645065704.db2.gz WJRGTZDOWZNKEA-AWEZNQCLSA-N 1 2 382.258 2.183 20 0 GEADLO Cc1ccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)cc1Br ZINC000188127886 645109471 /nfs/dbraw/zinc/10/94/71/645109471.db2.gz LPAQFAUCJAPORW-UHFFFAOYSA-N 1 2 399.636 2.064 20 0 GEADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000188310747 645112869 /nfs/dbraw/zinc/11/28/69/645112869.db2.gz XOAXYHSRZXKGIT-LBPRGKRZSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000188310747 645112873 /nfs/dbraw/zinc/11/28/73/645112873.db2.gz XOAXYHSRZXKGIT-LBPRGKRZSA-N 1 2 380.432 2.171 20 0 GEADLO Cc1cc[nH+]c(NNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)c1 ZINC000190040216 645147016 /nfs/dbraw/zinc/14/70/16/645147016.db2.gz YPNSIQBWFFTSKJ-UHFFFAOYSA-N 1 2 393.216 2.324 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000190373774 645154905 /nfs/dbraw/zinc/15/49/05/645154905.db2.gz DZHSEMLVYAKBSO-HNNXBMFYSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000190373774 645154909 /nfs/dbraw/zinc/15/49/09/645154909.db2.gz DZHSEMLVYAKBSO-HNNXBMFYSA-N 1 2 390.933 2.221 20 0 GEADLO COC(=O)CN(CC[N@@H+]1CCO[C@H](C)C1)Cc1cccc(Br)c1 ZINC000192844357 645225349 /nfs/dbraw/zinc/22/53/49/645225349.db2.gz KNIUVANWUIUSOB-CQSZACIVSA-N 1 2 385.302 2.145 20 0 GEADLO COC(=O)CN(CC[N@H+]1CCO[C@H](C)C1)Cc1cccc(Br)c1 ZINC000192844357 645225365 /nfs/dbraw/zinc/22/53/65/645225365.db2.gz KNIUVANWUIUSOB-CQSZACIVSA-N 1 2 385.302 2.145 20 0 GEADLO CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1cc[nH+]c(N)c1 ZINC000193071487 645238416 /nfs/dbraw/zinc/23/84/16/645238416.db2.gz IEJFUHUJICWWFF-UHFFFAOYSA-N 1 2 377.495 2.363 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(I)cc1 ZINC000193165257 645246655 /nfs/dbraw/zinc/24/66/55/645246655.db2.gz IVZUQCXMFXXNMI-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)ncc1Br ZINC000193459666 645275260 /nfs/dbraw/zinc/27/52/60/645275260.db2.gz WQJKGZKZICTWBS-UHFFFAOYSA-N 1 2 392.257 2.151 20 0 GEADLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000193550608 645281992 /nfs/dbraw/zinc/28/19/92/645281992.db2.gz LZFDBHRZXZCWEN-YPMHNXCESA-N 1 2 392.257 2.089 20 0 GEADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(Br)s2)C1 ZINC000193777445 645298390 /nfs/dbraw/zinc/29/83/90/645298390.db2.gz AEKIVEFZXOZZNB-GFCCVEGCSA-N 1 2 388.331 2.070 20 0 GEADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(Br)s2)C1 ZINC000193777445 645298394 /nfs/dbraw/zinc/29/83/94/645298394.db2.gz AEKIVEFZXOZZNB-GFCCVEGCSA-N 1 2 388.331 2.070 20 0 GEADLO COCC[NH+]1CCN(C(=O)CSc2ncnc3sc(C)c(C)c32)CC1 ZINC000194612555 645337826 /nfs/dbraw/zinc/33/78/26/645337826.db2.gz UAOUHIFTZOMKMV-UHFFFAOYSA-N 1 2 380.539 2.191 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000248940267 645543263 /nfs/dbraw/zinc/54/32/63/645543263.db2.gz NXAZLWPVGUNLKV-ZANVPECISA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000248940267 645543271 /nfs/dbraw/zinc/54/32/71/645543271.db2.gz NXAZLWPVGUNLKV-ZANVPECISA-N 1 2 375.252 2.421 20 0 GEADLO COc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)sc1Br ZINC000253203594 645568900 /nfs/dbraw/zinc/56/89/00/645568900.db2.gz HGYGZJSXMSTBFW-ZJUUUORDSA-N 1 2 377.304 2.046 20 0 GEADLO COc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)sc1Br ZINC000253203594 645568908 /nfs/dbraw/zinc/56/89/08/645568908.db2.gz HGYGZJSXMSTBFW-ZJUUUORDSA-N 1 2 377.304 2.046 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(Br)s1 ZINC000264364780 645679506 /nfs/dbraw/zinc/67/95/06/645679506.db2.gz ZJIDXFQWPGNZCE-UHFFFAOYSA-N 1 2 385.287 2.292 20 0 GEADLO COCC[N@@H+]1CCCN(C(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000264691241 645702919 /nfs/dbraw/zinc/70/29/19/645702919.db2.gz RCBCZUXQOLKMQW-UHFFFAOYSA-N 1 2 381.274 2.120 20 0 GEADLO COCC[N@H+]1CCCN(C(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000264691241 645702923 /nfs/dbraw/zinc/70/29/23/645702923.db2.gz RCBCZUXQOLKMQW-UHFFFAOYSA-N 1 2 381.274 2.120 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000268227036 645955593 /nfs/dbraw/zinc/95/55/93/645955593.db2.gz UMPPZAKGHLGSGB-LBPRGKRZSA-N 1 2 379.265 2.082 20 0 GEADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CS(=O)(=O)Cc1c[nH+]cn1C ZINC000268557485 645977350 /nfs/dbraw/zinc/97/73/50/645977350.db2.gz CRUVJYISFXMODT-UHFFFAOYSA-N 1 2 390.292 2.300 20 0 GEADLO Cc1nc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 ZINC000269281004 646024875 /nfs/dbraw/zinc/02/48/75/646024875.db2.gz KQJZRNBSYAQXIF-ZDUSSCGKSA-N 1 2 381.523 2.323 20 0 GEADLO COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000269653398 646048298 /nfs/dbraw/zinc/04/82/98/646048298.db2.gz IOQSEQAZWYGGGK-ZDUSSCGKSA-N 1 2 386.470 2.255 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000269954194 646076706 /nfs/dbraw/zinc/07/67/06/646076706.db2.gz HRNJPXTXFWNZLY-SNVBAGLBSA-N 1 2 377.297 2.487 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270589445 646123314 /nfs/dbraw/zinc/12/33/14/646123314.db2.gz DVIDPSCDWSZPJD-WCBMZHEXSA-N 1 2 378.782 2.428 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270589445 646123319 /nfs/dbraw/zinc/12/33/19/646123319.db2.gz DVIDPSCDWSZPJD-WCBMZHEXSA-N 1 2 378.782 2.428 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccnc(Cl)c1I ZINC000270975339 646160430 /nfs/dbraw/zinc/16/04/30/646160430.db2.gz HZXUCJOTINRCGW-QMMMGPOBSA-N 1 2 390.612 2.355 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000272805106 646288620 /nfs/dbraw/zinc/28/86/20/646288620.db2.gz LGSUHVSINLAIJA-UHFFFAOYSA-N 1 2 386.271 2.204 20 0 GEADLO Cc1nc2cc(Br)cc(NC(=O)N3CC[NH+](CCO)CC3)c2o1 ZINC000274959259 646337339 /nfs/dbraw/zinc/33/73/39/646337339.db2.gz PHZCMOGTOOTDIT-UHFFFAOYSA-N 1 2 383.246 2.041 20 0 GEADLO Nc1cccc(S(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000277235199 646392235 /nfs/dbraw/zinc/39/22/35/646392235.db2.gz UATBSPAPJFWTQI-KRWDZBQOSA-N 1 2 377.535 2.165 20 0 GEADLO Nc1cccc(S(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000277235199 646392239 /nfs/dbraw/zinc/39/22/39/646392239.db2.gz UATBSPAPJFWTQI-KRWDZBQOSA-N 1 2 377.535 2.165 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCS(=O)(=O)CC[C@@H]3C)c[nH+]c12 ZINC000277378023 646410102 /nfs/dbraw/zinc/41/01/02/646410102.db2.gz GBBOHBLSDSQSNV-LBPRGKRZSA-N 1 2 386.315 2.414 20 0 GEADLO c1nc(CN2CCCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)cs1 ZINC000277621541 646452803 /nfs/dbraw/zinc/45/28/03/646452803.db2.gz WLQNIDDHUBMGTQ-UHFFFAOYSA-N 1 2 376.555 2.199 20 0 GEADLO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277621037 646452835 /nfs/dbraw/zinc/45/28/35/646452835.db2.gz AISDZUHOQINMHH-WFASDCNBSA-N 1 2 381.416 2.104 20 0 GEADLO CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277621037 646452836 /nfs/dbraw/zinc/45/28/36/646452836.db2.gz AISDZUHOQINMHH-WFASDCNBSA-N 1 2 381.416 2.104 20 0 GEADLO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000277908203 646481390 /nfs/dbraw/zinc/48/13/90/646481390.db2.gz OTFHRNQHALMRAA-MRXNPFEDSA-N 1 2 379.507 2.429 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000278063196 646488467 /nfs/dbraw/zinc/48/84/67/646488467.db2.gz FPMIJKUDFNHRLJ-JSGCOSHPSA-N 1 2 391.295 2.278 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000278063196 646488470 /nfs/dbraw/zinc/48/84/70/646488470.db2.gz FPMIJKUDFNHRLJ-JSGCOSHPSA-N 1 2 391.295 2.278 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000278251990 646506093 /nfs/dbraw/zinc/50/60/93/646506093.db2.gz HJPYRUFRIFCCAP-CZUORRHYSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000278251990 646506096 /nfs/dbraw/zinc/50/60/96/646506096.db2.gz HJPYRUFRIFCCAP-CZUORRHYSA-N 1 2 376.266 2.434 20 0 GEADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000278472656 646523644 /nfs/dbraw/zinc/52/36/44/646523644.db2.gz NYEBBAUPEJHJFI-ZDUSSCGKSA-N 1 2 387.241 2.343 20 0 GEADLO CSc1cc(Br)ccc1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279352893 646594037 /nfs/dbraw/zinc/59/40/37/646594037.db2.gz GJDHAFBCGHLPEN-HNNXBMFYSA-N 1 2 384.299 2.345 20 0 GEADLO CSc1cc(Br)ccc1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279352893 646594057 /nfs/dbraw/zinc/59/40/57/646594057.db2.gz GJDHAFBCGHLPEN-HNNXBMFYSA-N 1 2 384.299 2.345 20 0 GEADLO CCOC(=O)c1cc2cc(S(=O)(=O)NCCn3cc[nH+]c3)ccc2s1 ZINC000280076356 646647588 /nfs/dbraw/zinc/64/75/88/646647588.db2.gz QOFRLTHPRFSMJN-UHFFFAOYSA-N 1 2 379.463 2.253 20 0 GEADLO C[C@]1(C(N)=O)CC[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000280343247 646672326 /nfs/dbraw/zinc/67/23/26/646672326.db2.gz SGDBUGFMXWBBLV-LBPRGKRZSA-N 1 2 377.080 2.304 20 0 GEADLO C[C@]1(C(N)=O)CC[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000280343247 646672329 /nfs/dbraw/zinc/67/23/29/646672329.db2.gz SGDBUGFMXWBBLV-LBPRGKRZSA-N 1 2 377.080 2.304 20 0 GEADLO C[N@H+](CC[C@H]1CCOC1=O)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280516216 646690122 /nfs/dbraw/zinc/69/01/22/646690122.db2.gz DKHOLVQHJATYQZ-LBPRGKRZSA-N 1 2 379.258 2.415 20 0 GEADLO C[N@@H+](CC[C@H]1CCOC1=O)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280516216 646690126 /nfs/dbraw/zinc/69/01/26/646690126.db2.gz DKHOLVQHJATYQZ-LBPRGKRZSA-N 1 2 379.258 2.415 20 0 GEADLO CC(C)OC[C@H](O)C[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280718790 646709573 /nfs/dbraw/zinc/70/95/73/646709573.db2.gz JYSGSVQNBNSHGA-MRXNPFEDSA-N 1 2 383.290 2.248 20 0 GEADLO CC(C)OC[C@H](O)C[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280718790 646709577 /nfs/dbraw/zinc/70/95/77/646709577.db2.gz JYSGSVQNBNSHGA-MRXNPFEDSA-N 1 2 383.290 2.248 20 0 GEADLO O=C(Nc1ccn2cc[nH+]c2c1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000280795547 646717387 /nfs/dbraw/zinc/71/73/87/646717387.db2.gz PKIPKSDUDUJJKG-UHFFFAOYSA-N 1 2 376.463 2.433 20 0 GEADLO CS(=O)(=O)C1(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000280851375 646725499 /nfs/dbraw/zinc/72/54/99/646725499.db2.gz KHKXVDRPBBBGJP-UHFFFAOYSA-N 1 2 384.929 2.245 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281538395 646779842 /nfs/dbraw/zinc/77/98/42/646779842.db2.gz WPVHOGWPDWRJID-WDMOLILDSA-N 1 2 382.258 2.206 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281538395 646779845 /nfs/dbraw/zinc/77/98/45/646779845.db2.gz WPVHOGWPDWRJID-WDMOLILDSA-N 1 2 382.258 2.206 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)cc2[nH]cnc21)[C@H](C)[NH+]1CCOCC1 ZINC000281993199 646809095 /nfs/dbraw/zinc/80/90/95/646809095.db2.gz CNWPCMRLRHCBLP-QWRGUYRKSA-N 1 2 381.274 2.164 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000283686923 646827191 /nfs/dbraw/zinc/82/71/91/646827191.db2.gz QSMOBKRZHNDJDQ-OAHLLOKOSA-N 1 2 387.933 2.067 20 0 GEADLO COc1ccc(Cl)cc1CN1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000284089620 646832815 /nfs/dbraw/zinc/83/28/15/646832815.db2.gz LVRURCMBTOCLAS-OAHLLOKOSA-N 1 2 386.945 2.291 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284096211 646833321 /nfs/dbraw/zinc/83/33/21/646833321.db2.gz NILGHITWAVIZRR-VBNZEHGJSA-N 1 2 383.286 2.148 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284096211 646833324 /nfs/dbraw/zinc/83/33/24/646833324.db2.gz NILGHITWAVIZRR-VBNZEHGJSA-N 1 2 383.286 2.148 20 0 GEADLO CC(=O)N1CC[NH+](CCNc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000286148509 646867389 /nfs/dbraw/zinc/86/73/89/646867389.db2.gz NYXBRASXOBDOCJ-UHFFFAOYSA-N 1 2 395.223 2.439 20 0 GEADLO Cn1cc(Br)c(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)n1 ZINC000292666384 647203905 /nfs/dbraw/zinc/20/39/05/647203905.db2.gz QDSOLDYVEYLSLW-UHFFFAOYSA-N 1 2 392.301 2.182 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(C)Cc1ccccc1Br ZINC000297827720 647265428 /nfs/dbraw/zinc/26/54/28/647265428.db2.gz KTBMMHSPONXPJA-UHFFFAOYSA-N 1 2 393.285 2.153 20 0 GEADLO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330451146 647337511 /nfs/dbraw/zinc/33/75/11/647337511.db2.gz UISAMFWAKVEUIK-PWSUYJOCSA-N 1 2 391.693 2.317 20 0 GEADLO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330451146 647337516 /nfs/dbraw/zinc/33/75/16/647337516.db2.gz UISAMFWAKVEUIK-PWSUYJOCSA-N 1 2 391.693 2.317 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(OC)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000331217386 647372477 /nfs/dbraw/zinc/37/24/77/647372477.db2.gz QMOPLQAEMAMFPR-KBPBESRZSA-N 1 2 390.933 2.123 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(OC)cc2C)CC[N@H+]1C[C@H](C)O ZINC000331217386 647372478 /nfs/dbraw/zinc/37/24/78/647372478.db2.gz QMOPLQAEMAMFPR-KBPBESRZSA-N 1 2 390.933 2.123 20 0 GEADLO O=C1CO[C@H]2CCN(c3cc[nH+]c4cc(F)c(Br)cc43)C[C@@H]2N1 ZINC000334025531 647487716 /nfs/dbraw/zinc/48/77/16/647487716.db2.gz GVDBAIRJBJQDMW-ZFWWWQNUSA-N 1 2 380.217 2.230 20 0 GEADLO CC(C)(C)[N@@H+]1C[C@@H](c2nc([C@@H]3CCS(=O)(=O)C3)no2)[C@H](C(F)(F)F)C1 ZINC000350508316 647533931 /nfs/dbraw/zinc/53/39/31/647533931.db2.gz INNZKPUHEDODNJ-GMTAPVOTSA-N 1 2 381.420 2.348 20 0 GEADLO CC(C)(C)[N@H+]1C[C@@H](c2nc([C@@H]3CCS(=O)(=O)C3)no2)[C@H](C(F)(F)F)C1 ZINC000350508316 647533940 /nfs/dbraw/zinc/53/39/40/647533940.db2.gz INNZKPUHEDODNJ-GMTAPVOTSA-N 1 2 381.420 2.348 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000361789642 647564371 /nfs/dbraw/zinc/56/43/71/647564371.db2.gz QPLMMIRUAWQDAB-JTQLQIEISA-N 1 2 388.262 2.500 20 0 GEADLO Cc1csc(NC(=O)[C@@H]2CCC[N@@H+](CC(=O)N(C)CC(F)(F)F)C2)n1 ZINC000363021786 647579561 /nfs/dbraw/zinc/57/95/61/647579561.db2.gz AJBIOFNWOCPSHF-LLVKDONJSA-N 1 2 378.420 2.123 20 0 GEADLO Cc1csc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N(C)CC(F)(F)F)C2)n1 ZINC000363021786 647579565 /nfs/dbraw/zinc/57/95/65/647579565.db2.gz AJBIOFNWOCPSHF-LLVKDONJSA-N 1 2 378.420 2.123 20 0 GEADLO CN(C)c1nc2sc(C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2s1 ZINC000363027773 647579720 /nfs/dbraw/zinc/57/97/20/647579720.db2.gz HMDJLURFWGWWLG-NEPJUHHUSA-N 1 2 380.539 2.095 20 0 GEADLO C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000363635782 647604158 /nfs/dbraw/zinc/60/41/58/647604158.db2.gz MSPCIZWUURLCBJ-AWEZNQCLSA-N 1 2 383.945 2.443 20 0 GEADLO C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000363635782 647604161 /nfs/dbraw/zinc/60/41/61/647604161.db2.gz MSPCIZWUURLCBJ-AWEZNQCLSA-N 1 2 383.945 2.443 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3sc(C)nc3C(F)(F)F)C2)nn1 ZINC000363897483 647610730 /nfs/dbraw/zinc/61/07/30/647610730.db2.gz PQZNMLTYNXGVHR-VIFPVBQESA-N 1 2 375.376 2.295 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3sc(C)nc3C(F)(F)F)C2)nn1 ZINC000363897483 647610733 /nfs/dbraw/zinc/61/07/33/647610733.db2.gz PQZNMLTYNXGVHR-VIFPVBQESA-N 1 2 375.376 2.295 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000363969677 647614409 /nfs/dbraw/zinc/61/44/09/647614409.db2.gz KUKAWXFLVCKWER-AWEZNQCLSA-N 1 2 392.301 2.464 20 0 GEADLO C[N@H+](CC(=O)NC1CCOCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000364724153 647639065 /nfs/dbraw/zinc/63/90/65/647639065.db2.gz OGMICGQHNOYKPN-OAHLLOKOSA-N 1 2 383.286 2.500 20 0 GEADLO C[N@@H+](CC(=O)NC1CCOCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000364724153 647639070 /nfs/dbraw/zinc/63/90/70/647639070.db2.gz OGMICGQHNOYKPN-OAHLLOKOSA-N 1 2 383.286 2.500 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)cc1Cl ZINC000364757670 647640832 /nfs/dbraw/zinc/64/08/32/647640832.db2.gz QIIULWUMJNPMAE-LBPRGKRZSA-N 1 2 376.931 2.160 20 0 GEADLO CCCOc1c(Cl)cc(C[NH+]2CCC(S(N)(=O)=O)CC2)cc1OC ZINC000364907196 647648097 /nfs/dbraw/zinc/64/80/97/647648097.db2.gz REWRYTZMTXDEGE-UHFFFAOYSA-N 1 2 376.906 2.390 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000365110953 647659344 /nfs/dbraw/zinc/65/93/44/647659344.db2.gz NMTNWQAYTLPPFS-KGLIPLIRSA-N 1 2 376.881 2.152 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000365110953 647659349 /nfs/dbraw/zinc/65/93/49/647659349.db2.gz NMTNWQAYTLPPFS-KGLIPLIRSA-N 1 2 376.881 2.152 20 0 GEADLO C[S@](=O)Cc1cccc(C(=O)NC2CC[NH+](Cc3cscn3)CC2)c1 ZINC000365113192 647659910 /nfs/dbraw/zinc/65/99/10/647659910.db2.gz ASZSONXIWFFBER-VWLOTQADSA-N 1 2 377.535 2.416 20 0 GEADLO C[NH+]1CCN(C[C@H]2CCCN(C(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000365115685 647660094 /nfs/dbraw/zinc/66/00/94/647660094.db2.gz GRXKXJASQDHOIR-QGZVFWFLSA-N 1 2 394.357 2.478 20 0 GEADLO Brc1cc(C[NH2+]Cc2nnc3n2CCOC3)cc2c1OCCCO2 ZINC000365166341 647662126 /nfs/dbraw/zinc/66/21/26/647662126.db2.gz YDIKCDWZPICRBI-UHFFFAOYSA-N 1 2 395.257 2.022 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2NC(=O)C[C@H]2C(F)(F)F)CC1 ZINC000365467456 647671409 /nfs/dbraw/zinc/67/14/09/647671409.db2.gz CAMQZYAYZCELCN-MPKXVKKWSA-N 1 2 375.416 2.020 20 0 GEADLO COC(=O)[C@H]1C[C@H](NC(=O)CSCc2ccc(Cl)cc2Cl)C[NH2+]1 ZINC000365760854 647686436 /nfs/dbraw/zinc/68/64/36/647686436.db2.gz HBKQHHVMQZKVHU-WCQYABFASA-N 1 2 377.293 2.246 20 0 GEADLO O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366053909 647692604 /nfs/dbraw/zinc/69/26/04/647692604.db2.gz UQSDLJGKLMKWPC-BRWVUGGUSA-N 1 2 379.298 2.486 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366562603 647702300 /nfs/dbraw/zinc/70/23/00/647702300.db2.gz BGAYHUGBINAXER-OAHLLOKOSA-N 1 2 382.302 2.454 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366562603 647702305 /nfs/dbraw/zinc/70/23/05/647702305.db2.gz BGAYHUGBINAXER-OAHLLOKOSA-N 1 2 382.302 2.454 20 0 GEADLO Cn1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc(Br)c1=O ZINC000366574376 647703665 /nfs/dbraw/zinc/70/36/65/647703665.db2.gz PYQQCUDLADTUDE-UHFFFAOYSA-N 1 2 380.246 2.282 20 0 GEADLO Cn1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc(Br)c1=O ZINC000366574376 647703672 /nfs/dbraw/zinc/70/36/72/647703672.db2.gz PYQQCUDLADTUDE-UHFFFAOYSA-N 1 2 380.246 2.282 20 0 GEADLO O=C(c1ccccc1I)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367083632 647718593 /nfs/dbraw/zinc/71/85/93/647718593.db2.gz HQHQVVVMJGCILW-OAHLLOKOSA-N 1 2 393.228 2.473 20 0 GEADLO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000367085588 647718773 /nfs/dbraw/zinc/71/87/73/647718773.db2.gz HANUQOUNDZXDPZ-CYBMUJFWSA-N 1 2 393.285 2.262 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c(Cl)cc(F)cc1Cl ZINC000367183408 647721887 /nfs/dbraw/zinc/72/18/87/647721887.db2.gz CJLDUYNTXAEPAW-GHMZBOCLSA-N 1 2 383.272 2.274 20 0 GEADLO O=S(=O)(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1c(Cl)cc(F)cc1Cl ZINC000367183408 647721891 /nfs/dbraw/zinc/72/18/91/647721891.db2.gz CJLDUYNTXAEPAW-GHMZBOCLSA-N 1 2 383.272 2.274 20 0 GEADLO O=C(Nc1cccc(Cl)c1Br)C(=O)N1CCn2c[nH+]cc2C1 ZINC000368163148 647751519 /nfs/dbraw/zinc/75/15/19/647751519.db2.gz WNPRFCIXVSFZHT-UHFFFAOYSA-N 1 2 383.633 2.280 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000368831102 647766013 /nfs/dbraw/zinc/76/60/13/647766013.db2.gz UZFDEYDUVJMUSH-UHFFFAOYSA-N 1 2 396.329 2.007 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000368831102 647766018 /nfs/dbraw/zinc/76/60/18/647766018.db2.gz UZFDEYDUVJMUSH-UHFFFAOYSA-N 1 2 396.329 2.007 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 ZINC000368837692 647766527 /nfs/dbraw/zinc/76/65/27/647766527.db2.gz GYXHABDCHHVXQB-UHFFFAOYSA-N 1 2 383.945 2.493 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 ZINC000368837692 647766534 /nfs/dbraw/zinc/76/65/34/647766534.db2.gz GYXHABDCHHVXQB-UHFFFAOYSA-N 1 2 383.945 2.493 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369042623 647767641 /nfs/dbraw/zinc/76/76/41/647767641.db2.gz VYWPNPCFISPYTA-BDJLRTHQSA-N 1 2 382.258 2.351 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369042623 647767644 /nfs/dbraw/zinc/76/76/44/647767644.db2.gz VYWPNPCFISPYTA-BDJLRTHQSA-N 1 2 382.258 2.351 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccncc2I)C1 ZINC000371265445 647788682 /nfs/dbraw/zinc/78/86/82/647788682.db2.gz AHKVCZZVSWHZES-JTQLQIEISA-N 1 2 382.205 2.049 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000374348690 647822250 /nfs/dbraw/zinc/82/22/50/647822250.db2.gz GOQPAUYFUFQROU-LLVKDONJSA-N 1 2 383.857 2.038 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000376423744 647845584 /nfs/dbraw/zinc/84/55/84/647845584.db2.gz DKDUQNCIAWFQLM-INIZCTEOSA-N 1 2 399.333 2.043 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000376423744 647845585 /nfs/dbraw/zinc/84/55/85/647845585.db2.gz DKDUQNCIAWFQLM-INIZCTEOSA-N 1 2 399.333 2.043 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000378704690 647887192 /nfs/dbraw/zinc/88/71/92/647887192.db2.gz HLSWBOWNEZSNMB-UHFFFAOYSA-N 1 2 389.315 2.317 20 0 GEADLO O=S(=O)(CC[NH+]1CCC(CCO)CC1)c1ccc(Br)cc1 ZINC000400972448 647902926 /nfs/dbraw/zinc/90/29/26/647902926.db2.gz DWZIYOKFCPZEGI-UHFFFAOYSA-N 1 2 376.316 2.317 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000408071851 647922319 /nfs/dbraw/zinc/92/23/19/647922319.db2.gz QMDWYIYLEJDILC-NXEZZACHSA-N 1 2 398.248 2.332 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000408071851 647922321 /nfs/dbraw/zinc/92/23/21/647922321.db2.gz QMDWYIYLEJDILC-NXEZZACHSA-N 1 2 398.248 2.332 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409649096 647976071 /nfs/dbraw/zinc/97/60/71/647976071.db2.gz BEXQMUZBHWFEQP-XVSDVWIESA-N 1 2 393.325 2.490 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409649096 647976073 /nfs/dbraw/zinc/97/60/73/647976073.db2.gz BEXQMUZBHWFEQP-XVSDVWIESA-N 1 2 393.325 2.490 20 0 GEADLO C[C@H]([C@H](C)NC(=O)[C@H](C)Oc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000409656525 647976624 /nfs/dbraw/zinc/97/66/24/647976624.db2.gz IYENRLQKNYQHCH-MJBXVCDLSA-N 1 2 385.302 2.442 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C[C@@H]1C ZINC000416454846 648130244 /nfs/dbraw/zinc/13/02/44/648130244.db2.gz SUVSEMICUOVCAP-NWDGAFQWSA-N 1 2 376.906 2.460 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C[C@@H]1C ZINC000416454846 648130247 /nfs/dbraw/zinc/13/02/47/648130247.db2.gz SUVSEMICUOVCAP-NWDGAFQWSA-N 1 2 376.906 2.460 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000416650331 648202215 /nfs/dbraw/zinc/20/22/15/648202215.db2.gz AQFOBCAPOYIXKI-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000416650331 648202219 /nfs/dbraw/zinc/20/22/19/648202219.db2.gz AQFOBCAPOYIXKI-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000416664014 648206095 /nfs/dbraw/zinc/20/60/95/648206095.db2.gz MSMVTPUOYJRIOG-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000416664014 648206098 /nfs/dbraw/zinc/20/60/98/648206098.db2.gz MSMVTPUOYJRIOG-NWDGAFQWSA-N 1 2 381.325 2.210 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c(Cl)c1Cl ZINC000416671412 648207607 /nfs/dbraw/zinc/20/76/07/648207607.db2.gz WGNJRJHLVZGMFY-QWRGUYRKSA-N 1 2 397.324 2.078 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(Cl)c1Cl ZINC000416671412 648207610 /nfs/dbraw/zinc/20/76/10/648207610.db2.gz WGNJRJHLVZGMFY-QWRGUYRKSA-N 1 2 397.324 2.078 20 0 GEADLO COCC1(O)CC[NH+](Cc2ccc(F)cc2I)CC1 ZINC000417774931 648262037 /nfs/dbraw/zinc/26/20/37/648262037.db2.gz LUNFDGVTIGQFGG-UHFFFAOYSA-N 1 2 379.213 2.404 20 0 GEADLO CC[C@H](C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)OC ZINC000419178884 648339841 /nfs/dbraw/zinc/33/98/41/648339841.db2.gz CLLXLGLGWFCPLO-CQSZACIVSA-N 1 2 391.331 2.180 20 0 GEADLO Cc1c(Cl)c(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)nn1C ZINC000421346135 648488404 /nfs/dbraw/zinc/48/84/04/648488404.db2.gz SHCMZYNESIUBPM-UHFFFAOYSA-N 1 2 386.880 2.351 20 0 GEADLO COc1cc(Br)c(CNC(=O)[C@@H]([NH3+])c2cscn2)cc1OC ZINC000423148586 648584453 /nfs/dbraw/zinc/58/44/53/648584453.db2.gz WBDHEURYQJAIDP-ZDUSSCGKSA-N 1 2 386.271 2.239 20 0 GEADLO O=C(Cc1ccc(Br)cc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000518231925 648591100 /nfs/dbraw/zinc/59/11/00/648591100.db2.gz GYJVXEIOMHLKQJ-UHFFFAOYSA-N 1 2 393.285 2.159 20 0 GEADLO O=C(NCc1cc(Cl)sc1Cl)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424520105 648632567 /nfs/dbraw/zinc/63/25/67/648632567.db2.gz KFHDUJFALXYYDU-QMMMGPOBSA-N 1 2 386.251 2.032 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000426181328 648706493 /nfs/dbraw/zinc/70/64/93/648706493.db2.gz ZJCZDNKYGZRYDR-FZMZJTMJSA-N 1 2 384.889 2.465 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000426181328 648706502 /nfs/dbraw/zinc/70/65/02/648706502.db2.gz ZJCZDNKYGZRYDR-FZMZJTMJSA-N 1 2 384.889 2.465 20 0 GEADLO O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427055054 648721142 /nfs/dbraw/zinc/72/11/42/648721142.db2.gz RIYTVRRVPIHZAJ-JTQLQIEISA-N 1 2 397.660 2.369 20 0 GEADLO Cc1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000427062547 648721699 /nfs/dbraw/zinc/72/16/99/648721699.db2.gz SMFZZDFMGDIHCJ-LBPRGKRZSA-N 1 2 377.242 2.024 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000428486668 648735588 /nfs/dbraw/zinc/73/55/88/648735588.db2.gz WREFGLDSQBKILC-UKRRQHHQSA-N 1 2 395.301 2.185 20 0 GEADLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCN1CCCS1(=O)=O ZINC000429136405 648745847 /nfs/dbraw/zinc/74/58/47/648745847.db2.gz RHAUISAYDKQJDL-ZDUSSCGKSA-N 1 2 375.897 2.025 20 0 GEADLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCN1CCCS1(=O)=O ZINC000429136405 648745862 /nfs/dbraw/zinc/74/58/62/648745862.db2.gz RHAUISAYDKQJDL-ZDUSSCGKSA-N 1 2 375.897 2.025 20 0 GEADLO CSC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000429269084 648748674 /nfs/dbraw/zinc/74/86/74/648748674.db2.gz CDOVDRHLSDPPAY-LLVKDONJSA-N 1 2 391.946 2.001 20 0 GEADLO CSC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000429269084 648748676 /nfs/dbraw/zinc/74/86/76/648748676.db2.gz CDOVDRHLSDPPAY-LLVKDONJSA-N 1 2 391.946 2.001 20 0 GEADLO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)c2ccc(Cl)s2)CC1 ZINC000429642625 648749846 /nfs/dbraw/zinc/74/98/46/648749846.db2.gz HPSBYVCYKQCEQS-UHFFFAOYSA-N 1 2 378.885 2.047 20 0 GEADLO CS[C@H]1CN(C(=O)c2cc(F)cc(Br)c2O)C[C@@H]1[NH+](C)C ZINC000436845895 648795753 /nfs/dbraw/zinc/79/57/53/648795753.db2.gz AQYADRWSXVAXTA-RYUDHWBXSA-N 1 2 377.279 2.411 20 0 GEADLO C[NH+](C)[C@@]1(CNC(=O)c2cc(F)cc(Br)c2O)CCSC1 ZINC000436853582 648797351 /nfs/dbraw/zinc/79/73/51/648797351.db2.gz QYRRHWVQBJHTBV-CQSZACIVSA-N 1 2 377.279 2.461 20 0 GEADLO COCCCOC1C[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000438843183 648806477 /nfs/dbraw/zinc/80/64/77/648806477.db2.gz VEHJOWTXEJSSPN-CQSZACIVSA-N 1 2 392.265 2.065 20 0 GEADLO CO[C@H](C)CS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000443046216 648857049 /nfs/dbraw/zinc/85/70/49/648857049.db2.gz SRIVGSNWCDMMPN-OAUYIBNBSA-N 1 2 376.469 2.443 20 0 GEADLO CO[C@H](C)CS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000443046216 648857053 /nfs/dbraw/zinc/85/70/53/648857053.db2.gz SRIVGSNWCDMMPN-OAUYIBNBSA-N 1 2 376.469 2.443 20 0 GEADLO O=S(=O)(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000548623917 651082081 /nfs/dbraw/zinc/08/20/81/651082081.db2.gz IQQFMKHEHCSXJS-VIFPVBQESA-N 1 2 377.800 2.431 20 0 GEADLO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548639434 651082421 /nfs/dbraw/zinc/08/24/21/651082421.db2.gz PNQJTUIVXDUHLJ-WDEREUQCSA-N 1 2 381.263 2.439 20 0 GEADLO O=C(NCc1c(Cl)cccc1Cl)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000550727885 651114426 /nfs/dbraw/zinc/11/44/26/651114426.db2.gz WGFARXKQKYBENB-LBPRGKRZSA-N 1 2 381.263 2.497 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCc3ccc(Br)cc3C2)C[C@@H](C)O1 ZINC000551747598 651131405 /nfs/dbraw/zinc/13/14/05/651131405.db2.gz CWCVLOYXGMPXGY-HBUWYVDXSA-N 1 2 383.330 2.277 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCc3ccc(Br)cc3C2)C[C@@H](C)O1 ZINC000551747598 651131409 /nfs/dbraw/zinc/13/14/09/651131409.db2.gz CWCVLOYXGMPXGY-HBUWYVDXSA-N 1 2 383.330 2.277 20 0 GEADLO CN(Cc1ccc(Br)s1)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000551852276 651134161 /nfs/dbraw/zinc/13/41/61/651134161.db2.gz OZYAKDCTNHQIQZ-UHFFFAOYSA-N 1 2 399.314 2.262 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(F)ccc1Br)C2 ZINC000552148466 651141840 /nfs/dbraw/zinc/14/18/40/651141840.db2.gz JHXGWFXZBBKFBS-LBPRGKRZSA-N 1 2 396.260 2.373 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCc2ccccc2Br)C1 ZINC000552167758 651142281 /nfs/dbraw/zinc/14/22/81/651142281.db2.gz HXKGQIKTLOCRJV-AWEZNQCLSA-N 1 2 397.313 2.383 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCc2ccccc2Br)C1 ZINC000552167758 651142282 /nfs/dbraw/zinc/14/22/82/651142282.db2.gz HXKGQIKTLOCRJV-AWEZNQCLSA-N 1 2 397.313 2.383 20 0 GEADLO O=C(NCc1cc(F)ccc1Br)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552710983 651155677 /nfs/dbraw/zinc/15/56/77/651155677.db2.gz DLUPSCJBVDYYLQ-UHFFFAOYSA-N 1 2 391.200 2.491 20 0 GEADLO Cn1cc(CC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000553151705 651166016 /nfs/dbraw/zinc/16/60/16/651166016.db2.gz NXKHFGYDNOJYGT-UHFFFAOYSA-N 1 2 392.257 2.244 20 0 GEADLO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)c2ccc(C(F)F)cc2)CC1 ZINC000553861085 651191028 /nfs/dbraw/zinc/19/10/28/651191028.db2.gz UOZGSYASIIUQPR-UHFFFAOYSA-N 1 2 375.485 2.319 20 0 GEADLO C[C@H](C(=O)N[C@@H](CO)c1ccc(Br)c(F)c1)[NH+]1CCSCC1 ZINC000554148313 651198902 /nfs/dbraw/zinc/19/89/02/651198902.db2.gz CVFPEBJYXQNFQM-YGRLFVJLSA-N 1 2 391.306 2.175 20 0 GEADLO Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2)cc1 ZINC000554304644 651202036 /nfs/dbraw/zinc/20/20/36/651202036.db2.gz URDRIIHNKWLLJL-INIZCTEOSA-N 1 2 377.491 2.397 20 0 GEADLO CCOC(=O)C[C@@H](NC(=O)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000554778930 651212920 /nfs/dbraw/zinc/21/29/20/651212920.db2.gz KXNYUKOQFVKVCO-CQSZACIVSA-N 1 2 380.242 2.456 20 0 GEADLO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1cc2c(cc1Br)OCCO2 ZINC000558449803 651280153 /nfs/dbraw/zinc/28/01/53/651280153.db2.gz QBYOHNAYKKGYBH-JTQLQIEISA-N 1 2 380.242 2.374 20 0 GEADLO CNC(=O)c1cccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1Br ZINC000558499147 651280948 /nfs/dbraw/zinc/28/09/48/651280948.db2.gz PTXKCBLPYNVVPQ-SNVBAGLBSA-N 1 2 392.257 2.142 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C[NH+]1CCOCC1 ZINC000560024785 651303620 /nfs/dbraw/zinc/30/36/20/651303620.db2.gz HZUYWKYJBZLLSZ-NSHDSACASA-N 1 2 384.395 2.091 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000560265264 651305797 /nfs/dbraw/zinc/30/57/97/651305797.db2.gz MLMRUGCEZAOWCG-LBPRGKRZSA-N 1 2 399.921 2.404 20 0 GEADLO COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CCCc3ccc(Br)cc32)nn1 ZINC000603239677 651473364 /nfs/dbraw/zinc/47/33/64/651473364.db2.gz JOLGQWXLAATFHZ-HUUCEWRRSA-N 1 2 379.258 2.009 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000642773259 651474747 /nfs/dbraw/zinc/47/47/47/651474747.db2.gz GHTFWLHYYBBJEK-OLZOCXBDSA-N 1 2 379.309 2.213 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000643249485 651481702 /nfs/dbraw/zinc/48/17/02/651481702.db2.gz JLLFCENXTXZCIG-TXEJJXNPSA-N 1 2 379.309 2.071 20 0 GEADLO CCN1C(=O)[C@H]2C[N@H+](Cc3nc4ccc(Br)cc4o3)CCN2C1=O ZINC000643373652 651484527 /nfs/dbraw/zinc/48/45/27/651484527.db2.gz AJHIXBFQPRILRI-GFCCVEGCSA-N 1 2 393.241 2.059 20 0 GEADLO CCN1C(=O)[C@H]2C[N@@H+](Cc3nc4ccc(Br)cc4o3)CCN2C1=O ZINC000643373652 651484530 /nfs/dbraw/zinc/48/45/30/651484530.db2.gz AJHIXBFQPRILRI-GFCCVEGCSA-N 1 2 393.241 2.059 20 0 GEADLO O=C(COC(=O)C1(C(F)(F)F)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000726226384 651488227 /nfs/dbraw/zinc/48/82/27/651488227.db2.gz SVAOWKHNCCOELG-UHFFFAOYSA-N 1 2 376.400 2.278 20 0 GEADLO O=S(=O)(C[C@H]1CCCCO1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000562359250 651493340 /nfs/dbraw/zinc/49/33/40/651493340.db2.gz TZWCHRQGXZPBEU-ZWKOTPCHSA-N 1 2 384.567 2.093 20 0 GEADLO O=S(=O)(C[C@H]1CCCCO1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000562359250 651493342 /nfs/dbraw/zinc/49/33/42/651493342.db2.gz TZWCHRQGXZPBEU-ZWKOTPCHSA-N 1 2 384.567 2.093 20 0 GEADLO Cc1cc(C)c(CNC(=O)NCCn2cc(Br)ccc2=O)c[nH+]1 ZINC000562883392 651502407 /nfs/dbraw/zinc/50/24/07/651502407.db2.gz QNNKLNFWBHMLLO-UHFFFAOYSA-N 1 2 379.258 2.122 20 0 GEADLO CN1CCN(S(=O)(=O)c2ccccc2C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000604891385 651525625 /nfs/dbraw/zinc/52/56/25/651525625.db2.gz BBBYRVOLBSBXAL-UHFFFAOYSA-N 1 2 383.901 2.159 20 0 GEADLO CCC(=O)N1CSC[C@H]1C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000606395894 651553050 /nfs/dbraw/zinc/55/30/50/651553050.db2.gz YVUSWFNSZZYYDJ-INIZCTEOSA-N 1 2 381.567 2.266 20 0 GEADLO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000606753096 651558417 /nfs/dbraw/zinc/55/84/17/651558417.db2.gz RZVJDTKTHXHFIK-UHFFFAOYSA-N 1 2 379.463 2.155 20 0 GEADLO Cn1cc[nH+]c1C[C@H](NC(=O)Cn1cc(Br)cn1)c1ccccc1 ZINC000608207724 651589488 /nfs/dbraw/zinc/58/94/88/651589488.db2.gz JDTWGXIHUHKSMD-HNNXBMFYSA-N 1 2 388.269 2.479 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000565234428 651589728 /nfs/dbraw/zinc/58/97/28/651589728.db2.gz FAAOWNVJIUYJRJ-LLVKDONJSA-N 1 2 394.871 2.492 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000565234428 651589732 /nfs/dbraw/zinc/58/97/32/651589732.db2.gz FAAOWNVJIUYJRJ-LLVKDONJSA-N 1 2 394.871 2.492 20 0 GEADLO O=C(c1sc(N2CCCC2)nc1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000730085750 651590151 /nfs/dbraw/zinc/59/01/51/651590151.db2.gz GLDZGYBTYUOUDT-CHWSQXEVSA-N 1 2 384.933 2.068 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000565634014 651594564 /nfs/dbraw/zinc/59/45/64/651594564.db2.gz AODUGUVDPZNKTG-UHFFFAOYSA-N 1 2 386.945 2.447 20 0 GEADLO COc1ncc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000645431648 651604223 /nfs/dbraw/zinc/60/42/23/651604223.db2.gz IJYDSSTWKRADLS-CQSZACIVSA-N 1 2 385.873 2.452 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCc1ccc(Br)cc1F ZINC000731044459 651617314 /nfs/dbraw/zinc/61/73/14/651617314.db2.gz LPLAGTKMJUQONJ-GFCCVEGCSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCCCc2cccc(Br)c2)CCO1 ZINC000731282409 651623827 /nfs/dbraw/zinc/62/38/27/651623827.db2.gz PNYBCTICDRHFTO-AWEZNQCLSA-N 1 2 384.318 2.402 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCCc2cccc(Br)c2)CCO1 ZINC000731282409 651623831 /nfs/dbraw/zinc/62/38/31/651623831.db2.gz PNYBCTICDRHFTO-AWEZNQCLSA-N 1 2 384.318 2.402 20 0 GEADLO Cc1ccc(C[C@@H](CO)CNC(=O)Cc2c[nH+]cn2C)cc1Br ZINC000567563481 651625902 /nfs/dbraw/zinc/62/59/02/651625902.db2.gz IVJUAFOUQSUKHI-CQSZACIVSA-N 1 2 380.286 2.001 20 0 GEADLO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3cncc(F)c3)cc2Cl)CC1 ZINC000731784391 651635075 /nfs/dbraw/zinc/63/50/75/651635075.db2.gz XNTZMGJOXKFQIQ-UHFFFAOYSA-N 1 2 384.864 2.427 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccc(Cl)cc1 ZINC000731847485 651635746 /nfs/dbraw/zinc/63/57/46/651635746.db2.gz JKLJOHXQUKFQLS-QGZVFWFLSA-N 1 2 386.945 2.300 20 0 GEADLO O=S(=O)(CC[N@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccc(Cl)cc1 ZINC000731847485 651635749 /nfs/dbraw/zinc/63/57/49/651635749.db2.gz JKLJOHXQUKFQLS-QGZVFWFLSA-N 1 2 386.945 2.300 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N2CC[NH+](CCC3CCCC3)CC2)c1 ZINC000610212031 651650021 /nfs/dbraw/zinc/65/00/21/651650021.db2.gz QLMRILBSSKNLAJ-UHFFFAOYSA-N 1 2 386.539 2.421 20 0 GEADLO CC(C)(CNC(=O)NCc1ccc(Br)cc1F)[NH+]1CCOCC1 ZINC000732235505 651650686 /nfs/dbraw/zinc/65/06/86/651650686.db2.gz ITJITGXAEZZGAS-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO C[C@H](SCCn1cc(Cl)cn1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000568731078 651677735 /nfs/dbraw/zinc/67/77/35/651677735.db2.gz KMLCHWVXIOVVOH-AWEZNQCLSA-N 1 2 379.917 2.402 20 0 GEADLO COc1ccc(Br)c(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000568839360 651683358 /nfs/dbraw/zinc/68/33/58/651683358.db2.gz UNZKWHVUNLZODY-GASCZTMLSA-N 1 2 398.301 2.120 20 0 GEADLO COc1ccc(Br)c(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000568839360 651683362 /nfs/dbraw/zinc/68/33/62/651683362.db2.gz UNZKWHVUNLZODY-GASCZTMLSA-N 1 2 398.301 2.120 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000568926920 651689349 /nfs/dbraw/zinc/68/93/49/651689349.db2.gz QYNJUAWKLQFHJF-UHFFFAOYSA-N 1 2 391.229 2.232 20 0 GEADLO O=C(c1c(O)cc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000569322617 651705734 /nfs/dbraw/zinc/70/57/34/651705734.db2.gz YTFOQJTWCJHTTK-GFCCVEGCSA-N 1 2 386.279 2.126 20 0 GEADLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)CN2CCOCC2)c(Br)c1 ZINC000569832807 651728099 /nfs/dbraw/zinc/72/80/99/651728099.db2.gz OXEPIWGFFLEYGT-CYBMUJFWSA-N 1 2 385.302 2.388 20 0 GEADLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c(Br)c1 ZINC000569832807 651728106 /nfs/dbraw/zinc/72/81/06/651728106.db2.gz OXEPIWGFFLEYGT-CYBMUJFWSA-N 1 2 385.302 2.388 20 0 GEADLO C[C@@H]1CN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCS(=O)(=O)C1 ZINC000569887796 651731209 /nfs/dbraw/zinc/73/12/09/651731209.db2.gz ORCXHQJRQREEKN-CZUORRHYSA-N 1 2 387.933 2.019 20 0 GEADLO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1c(F)cc(F)cc1F ZINC000734242990 651740262 /nfs/dbraw/zinc/74/02/62/651740262.db2.gz CPIKXNDIAZMKKR-CYBMUJFWSA-N 1 2 378.416 2.026 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCSC(C)(C)C1)c1ccccc1Cl ZINC000570545827 651773877 /nfs/dbraw/zinc/77/38/77/651773877.db2.gz SFAZHYKBABVJNY-HNNXBMFYSA-N 1 2 383.945 2.413 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@@H+]1CCO ZINC000613698132 651792905 /nfs/dbraw/zinc/79/29/05/651792905.db2.gz RPLPSRFGHLAMCF-LBPRGKRZSA-N 1 2 394.269 2.243 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CC[N@H+]1CCO ZINC000613698132 651792908 /nfs/dbraw/zinc/79/29/08/651792908.db2.gz RPLPSRFGHLAMCF-LBPRGKRZSA-N 1 2 394.269 2.243 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)[C@@H](C)C1 ZINC000570822988 651794085 /nfs/dbraw/zinc/79/40/85/651794085.db2.gz NSXSRIILPFUBTC-NSHDSACASA-N 1 2 389.905 2.022 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)[C@@H](C)C1 ZINC000570822988 651794087 /nfs/dbraw/zinc/79/40/87/651794087.db2.gz NSXSRIILPFUBTC-NSHDSACASA-N 1 2 389.905 2.022 20 0 GEADLO C[C@H]1CN(C(=O)c2cc3c(cncc3Br)s2)CC[N@@H+]1CCO ZINC000648867691 651807456 /nfs/dbraw/zinc/80/74/56/651807456.db2.gz XUIZZHFAJOOQLC-JTQLQIEISA-N 1 2 384.299 2.197 20 0 GEADLO C[C@H]1CN(C(=O)c2cc3c(cncc3Br)s2)CC[N@H+]1CCO ZINC000648867691 651807460 /nfs/dbraw/zinc/80/74/60/651807460.db2.gz XUIZZHFAJOOQLC-JTQLQIEISA-N 1 2 384.299 2.197 20 0 GEADLO O=S(=O)(CCN1CC[NH+](CC2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000736318424 651817635 /nfs/dbraw/zinc/81/76/35/651817635.db2.gz IOMDSHHZNJQJQA-UHFFFAOYSA-N 1 2 386.945 2.158 20 0 GEADLO [NH2+]=C1Nc2nc3ccccc3n2[C@@]2(N1)C(=O)Nc1cc(Br)ccc12 ZINC000614429371 651826951 /nfs/dbraw/zinc/82/69/51/651826951.db2.gz IRGQGCZWQFZQQR-MRXNPFEDSA-N 1 2 383.209 2.402 20 0 GEADLO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[NH2+]C[C@H]1C(F)F ZINC000571445913 651832867 /nfs/dbraw/zinc/83/28/67/651832867.db2.gz XOVXMOVDYORQAQ-VIFPVBQESA-N 1 2 389.649 2.330 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000649975101 651838576 /nfs/dbraw/zinc/83/85/76/651838576.db2.gz NSUDMSLCZUMHHP-HIFRSBDPSA-N 1 2 397.313 2.494 20 0 GEADLO CSc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nc(SC)n1 ZINC000571581137 651841782 /nfs/dbraw/zinc/84/17/82/651841782.db2.gz ICMHUZFLSGETTO-CYBMUJFWSA-N 1 2 381.571 2.053 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615127030 651849981 /nfs/dbraw/zinc/84/99/81/651849981.db2.gz FSOMDILSKCRNLL-NWANDNLSSA-N 1 2 391.269 2.361 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000571803495 651854989 /nfs/dbraw/zinc/85/49/89/651854989.db2.gz BLCOSPCXSYNROL-LBPRGKRZSA-N 1 2 381.263 2.280 20 0 GEADLO [NH3+][C@@H](C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)c1cscn1 ZINC000571915501 651861414 /nfs/dbraw/zinc/86/14/14/651861414.db2.gz IIAKCZDYTABINF-IINYFYTJSA-N 1 2 379.873 2.069 20 0 GEADLO CC(C)(C)n1cc(Br)c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000615559339 651867794 /nfs/dbraw/zinc/86/77/94/651867794.db2.gz XURMQTAHRAHTQD-ZDUSSCGKSA-N 1 2 399.333 2.337 20 0 GEADLO O=C1C(=O)N(CN2CCC[C@@H](n3cc[nH+]c3)C2)c2cccc(Br)c21 ZINC000738148563 651882254 /nfs/dbraw/zinc/88/22/54/651882254.db2.gz LYHDBTRTMCIPSY-GFCCVEGCSA-N 1 2 389.253 2.470 20 0 GEADLO CCO[C@@H]1COC[C@H]1[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000651472506 651882262 /nfs/dbraw/zinc/88/22/62/651882262.db2.gz WLESEUFETOTNDB-BFHYXJOUSA-N 1 2 390.299 2.061 20 0 GEADLO C[C@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CCCO1 ZINC000738161030 651882946 /nfs/dbraw/zinc/88/29/46/651882946.db2.gz KYZIFBFVSMYEGN-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CCCO1 ZINC000738161030 651882948 /nfs/dbraw/zinc/88/29/48/651882948.db2.gz KYZIFBFVSMYEGN-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CCCO1 ZINC000738161029 651882960 /nfs/dbraw/zinc/88/29/60/651882960.db2.gz KYZIFBFVSMYEGN-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CCCO1 ZINC000738161029 651882964 /nfs/dbraw/zinc/88/29/64/651882964.db2.gz KYZIFBFVSMYEGN-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000616260718 651893186 /nfs/dbraw/zinc/89/31/86/651893186.db2.gz QAXOSGLANWGEBV-HUUCEWRRSA-N 1 2 381.885 2.287 20 0 GEADLO O=S(=O)(NCCCOCC(F)(F)F)c1ccccc1Cn1cc[nH+]c1 ZINC000572466306 651894094 /nfs/dbraw/zinc/89/40/94/651894094.db2.gz QLYLVONMVQAITJ-UHFFFAOYSA-N 1 2 377.388 2.179 20 0 GEADLO C[C@@](CO)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000616831950 651913163 /nfs/dbraw/zinc/91/31/63/651913163.db2.gz OZCBPQNXTRXZBZ-SJCJKPOMSA-N 1 2 378.270 2.232 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Cc2ccc(C)cc2Br)CC1 ZINC000652997848 651931428 /nfs/dbraw/zinc/93/14/28/651931428.db2.gz POAZFCRWOSFQBT-UHFFFAOYSA-N 1 2 399.329 2.107 20 0 GEADLO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000741246291 651940945 /nfs/dbraw/zinc/94/09/45/651940945.db2.gz JMFRPONOXQQKLK-AWEZNQCLSA-N 1 2 385.258 2.042 20 0 GEADLO CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000741246291 651940952 /nfs/dbraw/zinc/94/09/52/651940952.db2.gz JMFRPONOXQQKLK-AWEZNQCLSA-N 1 2 385.258 2.042 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617723684 651966779 /nfs/dbraw/zinc/96/67/79/651966779.db2.gz PWZLTHVJTPDFNS-RDBSUJKOSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617723684 651966787 /nfs/dbraw/zinc/96/67/87/651966787.db2.gz PWZLTHVJTPDFNS-RDBSUJKOSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617723682 651967314 /nfs/dbraw/zinc/96/73/14/651967314.db2.gz PWZLTHVJTPDFNS-MCIONIFRSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617723682 651967318 /nfs/dbraw/zinc/96/73/18/651967318.db2.gz PWZLTHVJTPDFNS-MCIONIFRSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2COc3ccc(Br)cc32)[C@H](C)CO1 ZINC000617728076 651967934 /nfs/dbraw/zinc/96/79/34/651967934.db2.gz PVQYQYMUASMMJD-JMSVASOKSA-N 1 2 383.286 2.151 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2COc3ccc(Br)cc32)[C@H](C)CO1 ZINC000617728076 651967942 /nfs/dbraw/zinc/96/79/42/651967942.db2.gz PVQYQYMUASMMJD-JMSVASOKSA-N 1 2 383.286 2.151 20 0 GEADLO C[NH+](C)CCn1ccc(=NC(=O)N=c2cc(-c3ccc(Cl)s3)[nH][nH]2)[nH]1 ZINC000573806988 651980129 /nfs/dbraw/zinc/98/01/29/651980129.db2.gz AGAMHGRAUANPJO-UHFFFAOYSA-N 1 2 379.877 2.038 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573932727 651989823 /nfs/dbraw/zinc/98/98/23/651989823.db2.gz NLWRYNLZVWZYNQ-NSHDSACASA-N 1 2 379.258 2.414 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573932727 651989826 /nfs/dbraw/zinc/98/98/26/651989826.db2.gz NLWRYNLZVWZYNQ-NSHDSACASA-N 1 2 379.258 2.414 20 0 GEADLO CN(C[C@H]1COCCO1)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000618228249 651999042 /nfs/dbraw/zinc/99/90/42/651999042.db2.gz FSIGGEWSSATQBN-DLBZAZTESA-N 1 2 397.313 2.460 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000574467742 652023798 /nfs/dbraw/zinc/02/37/98/652023798.db2.gz LKOHGVXYXVBDJG-DUVNUKRYSA-N 1 2 382.302 2.325 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000574467742 652023807 /nfs/dbraw/zinc/02/38/07/652023807.db2.gz LKOHGVXYXVBDJG-DUVNUKRYSA-N 1 2 382.302 2.325 20 0 GEADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000574637392 652033244 /nfs/dbraw/zinc/03/32/44/652033244.db2.gz ARINEOHQCQKUSY-AWEZNQCLSA-N 1 2 389.308 2.203 20 0 GEADLO Cn1c[nH+]cc1CNc1cc(Br)ccc1N1CCN(C)C(=O)C1 ZINC000656658196 652044224 /nfs/dbraw/zinc/04/42/24/652044224.db2.gz JFTNZMXIYSBKIM-UHFFFAOYSA-N 1 2 378.274 2.073 20 0 GEADLO COCCOc1c(Cl)cc(S(=O)(=O)NCC[NH+]2CCC2)cc1Cl ZINC000575779499 652077222 /nfs/dbraw/zinc/07/72/22/652077222.db2.gz GQJYHYXNFLNWBI-UHFFFAOYSA-N 1 2 383.297 2.003 20 0 GEADLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cn1C ZINC000576073750 652094514 /nfs/dbraw/zinc/09/45/14/652094514.db2.gz LHBZVABEJQBBPJ-UHFFFAOYSA-N 1 2 393.285 2.291 20 0 GEADLO CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746321020 652099638 /nfs/dbraw/zinc/09/96/38/652099638.db2.gz LNWMXILVCJWLJV-TZMCWYRMSA-N 1 2 377.501 2.122 20 0 GEADLO CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746321020 652099644 /nfs/dbraw/zinc/09/96/44/652099644.db2.gz LNWMXILVCJWLJV-TZMCWYRMSA-N 1 2 377.501 2.122 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)CCCn1cc[nH+]c1 ZINC000620409840 652103600 /nfs/dbraw/zinc/10/36/00/652103600.db2.gz YZAJCNJKQHZJBL-UHFFFAOYSA-N 1 2 379.258 2.489 20 0 GEADLO Cc1csc([C@](O)(CC(=O)NCCCCn2cc[nH+]c2)C(F)(F)F)n1 ZINC000746879278 652127558 /nfs/dbraw/zinc/12/75/58/652127558.db2.gz HUCKFUWQURHJFW-CQSZACIVSA-N 1 2 376.404 2.385 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000576715270 652139349 /nfs/dbraw/zinc/13/93/49/652139349.db2.gz HWFZJCPRZBJPQG-WCQYABFASA-N 1 2 398.276 2.457 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000576715270 652139350 /nfs/dbraw/zinc/13/93/50/652139350.db2.gz HWFZJCPRZBJPQG-WCQYABFASA-N 1 2 398.276 2.457 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)[C@H](C[C@@H]3COCCO3)C(F)(F)F)sc2C1 ZINC000621277200 652141455 /nfs/dbraw/zinc/14/14/55/652141455.db2.gz CPHVXORCUXLING-ZJUUUORDSA-N 1 2 379.404 2.054 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)[C@H](C[C@@H]3COCCO3)C(F)(F)F)sc2C1 ZINC000621277200 652141461 /nfs/dbraw/zinc/14/14/61/652141461.db2.gz CPHVXORCUXLING-ZJUUUORDSA-N 1 2 379.404 2.054 20 0 GEADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21)NCc1ccc(Cl)cc1 ZINC000621356885 652151263 /nfs/dbraw/zinc/15/12/63/652151263.db2.gz ZZWRSPWTCHYIPA-QGZVFWFLSA-N 1 2 378.881 2.216 20 0 GEADLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)ccc2n1C ZINC000576928745 652154887 /nfs/dbraw/zinc/15/48/87/652154887.db2.gz MYJNFRXEUGHCAN-UHFFFAOYSA-N 1 2 379.463 2.086 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)c(F)cc1Br ZINC000576942913 652156852 /nfs/dbraw/zinc/15/68/52/652156852.db2.gz QGNWYOPHCRZCLO-SNVBAGLBSA-N 1 2 387.221 2.124 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2CSC2=NCCS2)CCO1 ZINC000747375955 652160185 /nfs/dbraw/zinc/16/01/85/652160185.db2.gz TUVZSUXKKVDZGT-CQSZACIVSA-N 1 2 379.551 2.473 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2CSC2=NCCS2)CCO1 ZINC000747375955 652160187 /nfs/dbraw/zinc/16/01/87/652160187.db2.gz TUVZSUXKKVDZGT-CQSZACIVSA-N 1 2 379.551 2.473 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)n1 ZINC000657447703 652164676 /nfs/dbraw/zinc/16/46/76/652164676.db2.gz GHYPHTGKQUJHGW-CYBMUJFWSA-N 1 2 382.306 2.131 20 0 GEADLO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657485738 652166434 /nfs/dbraw/zinc/16/64/34/652166434.db2.gz QPCAERCVYYCIPD-CYBMUJFWSA-N 1 2 396.333 2.440 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000577751434 652213044 /nfs/dbraw/zinc/21/30/44/652213044.db2.gz FBEJCGJXOUGJQI-MRXNPFEDSA-N 1 2 394.896 2.077 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000623271694 652229936 /nfs/dbraw/zinc/22/99/36/652229936.db2.gz FJJUZRZLKQWHTJ-LBPRGKRZSA-N 1 2 378.885 2.191 20 0 GEADLO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000749100373 652234954 /nfs/dbraw/zinc/23/49/54/652234954.db2.gz ZTHGVCCJHMQPLA-LBPRGKRZSA-N 1 2 383.905 2.275 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@H](NCc2nc(C(N)=O)cs2)c2ccc(Cl)cc2)C1 ZINC000658233223 652245207 /nfs/dbraw/zinc/24/52/07/652245207.db2.gz PFIACNWYBLUJPX-GDBMZVCRSA-N 1 2 380.901 2.057 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@H](NCc2nc(C(N)=O)cs2)c2ccc(Cl)cc2)C1 ZINC000658233223 652245219 /nfs/dbraw/zinc/24/52/19/652245219.db2.gz PFIACNWYBLUJPX-GDBMZVCRSA-N 1 2 380.901 2.057 20 0 GEADLO CSCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000578159391 652248842 /nfs/dbraw/zinc/24/88/42/652248842.db2.gz DASOXWXSUMQCOB-CVEARBPZSA-N 1 2 383.945 2.413 20 0 GEADLO CSCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000578159391 652248850 /nfs/dbraw/zinc/24/88/50/652248850.db2.gz DASOXWXSUMQCOB-CVEARBPZSA-N 1 2 383.945 2.413 20 0 GEADLO C[N@H+](CC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000578365863 652265998 /nfs/dbraw/zinc/26/59/98/652265998.db2.gz FQZQMFKUXPMALD-CQSZACIVSA-N 1 2 390.958 2.057 20 0 GEADLO C[N@@H+](CC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000578365863 652266004 /nfs/dbraw/zinc/26/60/04/652266004.db2.gz FQZQMFKUXPMALD-CQSZACIVSA-N 1 2 390.958 2.057 20 0 GEADLO NC(=O)NC1CC[NH+](Cc2nnc(-c3ccc(Br)s3)o2)CC1 ZINC000750826189 652311191 /nfs/dbraw/zinc/31/11/91/652311191.db2.gz QFAZRPJUYPAFHZ-UHFFFAOYSA-N 1 2 386.275 2.193 20 0 GEADLO O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1CC[C@H]1c1ccc(Br)cc1 ZINC000658892729 652324795 /nfs/dbraw/zinc/32/47/95/652324795.db2.gz QCLONKWKIORSFY-INIZCTEOSA-N 1 2 392.297 2.029 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625264914 652336157 /nfs/dbraw/zinc/33/61/57/652336157.db2.gz SRDQBJMUUCFCCR-IPALMDDQSA-N 1 2 379.298 2.172 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625264914 652336161 /nfs/dbraw/zinc/33/61/61/652336161.db2.gz SRDQBJMUUCFCCR-IPALMDDQSA-N 1 2 379.298 2.172 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N(CCO)Cc1cccc(Br)c1 ZINC000579425038 652336546 /nfs/dbraw/zinc/33/65/46/652336546.db2.gz HXNWWHGBXQCWCN-OAHLLOKOSA-N 1 2 393.285 2.165 20 0 GEADLO CC(=O)c1nc(CC[NH+]2CCN(c3ccc(Br)cn3)CC2)[nH]c1C ZINC000659827341 652367205 /nfs/dbraw/zinc/36/72/05/652367205.db2.gz UDWYGANWHYUVRU-UHFFFAOYSA-N 1 2 392.301 2.443 20 0 GEADLO CC[N@H+](CCN1C(=O)CN(C)C1=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000659822887 652367229 /nfs/dbraw/zinc/36/72/29/652367229.db2.gz WNLSYWDYCZVMLL-UHFFFAOYSA-N 1 2 387.267 2.148 20 0 GEADLO CC[N@@H+](CCN1C(=O)CN(C)C1=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000659822887 652367232 /nfs/dbraw/zinc/36/72/32/652367232.db2.gz WNLSYWDYCZVMLL-UHFFFAOYSA-N 1 2 387.267 2.148 20 0 GEADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000659948060 652373893 /nfs/dbraw/zinc/37/38/93/652373893.db2.gz RRRLRYSCGVHTSS-LSDHHAIUSA-N 1 2 388.327 2.225 20 0 GEADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000659948060 652373896 /nfs/dbraw/zinc/37/38/96/652373896.db2.gz RRRLRYSCGVHTSS-LSDHHAIUSA-N 1 2 388.327 2.225 20 0 GEADLO Cn1cc(C[NH+]2CCN(C[C@@H](O)c3ccccc3Br)CC2)cn1 ZINC000751978430 652374627 /nfs/dbraw/zinc/37/46/27/652374627.db2.gz FBHOFKJRWFVLTG-QGZVFWFLSA-N 1 2 379.302 2.034 20 0 GEADLO O=C(NC[C@@H]1CC12CCSCC2)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000580308292 652375197 /nfs/dbraw/zinc/37/51/97/652375197.db2.gz MLSOVJWKJDJTLX-MAUKXSAKSA-N 1 2 385.599 2.027 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000626169146 652383138 /nfs/dbraw/zinc/38/31/38/652383138.db2.gz GUBPVTQMKQVMJC-MRXNPFEDSA-N 1 2 379.551 2.495 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000626169146 652383140 /nfs/dbraw/zinc/38/31/40/652383140.db2.gz GUBPVTQMKQVMJC-MRXNPFEDSA-N 1 2 379.551 2.495 20 0 GEADLO COc1nc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)co1 ZINC000626445748 652392909 /nfs/dbraw/zinc/39/29/09/652392909.db2.gz MQLLOYKUVIHOSS-UHFFFAOYSA-N 1 2 379.214 2.374 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)NCC1(S(=O)(=O)CC)CC1)c1ccsc1 ZINC000660340757 652399228 /nfs/dbraw/zinc/39/92/28/652399228.db2.gz YMJCTALOGZAYSA-OAHLLOKOSA-N 1 2 387.571 2.398 20 0 GEADLO Cn1c[nH+]cc1COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000753145614 652400225 /nfs/dbraw/zinc/40/02/25/652400225.db2.gz CJFVYZCMXOCWOZ-UHFFFAOYSA-N 1 2 383.857 2.215 20 0 GEADLO C[NH+](C)Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)nc2)cc1Cl ZINC000626779334 652403220 /nfs/dbraw/zinc/40/32/20/652403220.db2.gz NSWKBXGRAQNAMK-UHFFFAOYSA-N 1 2 382.873 2.420 20 0 GEADLO CCOC(=O)[C@@H]1CN(Cc2c[nH+]c3c(C)cc(Br)cn23)CCO1 ZINC000753546831 652410162 /nfs/dbraw/zinc/41/01/62/652410162.db2.gz LKDRUIXLQBQSDQ-AWEZNQCLSA-N 1 2 382.258 2.169 20 0 GEADLO C[C@H]1COCC[N@H+](CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753985540 652422474 /nfs/dbraw/zinc/42/24/74/652422474.db2.gz IQEZOUNOWMSYRA-FZKQIMNGSA-N 1 2 395.297 2.392 20 0 GEADLO C[C@H]1COCC[N@@H+](CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753985540 652422477 /nfs/dbraw/zinc/42/24/77/652422477.db2.gz IQEZOUNOWMSYRA-FZKQIMNGSA-N 1 2 395.297 2.392 20 0 GEADLO O=C(NCCc1cccc(Br)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661303036 652426524 /nfs/dbraw/zinc/42/65/24/652426524.db2.gz GQXGOBCZTPHZRY-INIZCTEOSA-N 1 2 382.302 2.108 20 0 GEADLO C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(Br)cn1 ZINC000581978802 652429752 /nfs/dbraw/zinc/42/97/52/652429752.db2.gz AXESNKSKNQREPV-JTQLQIEISA-N 1 2 388.225 2.308 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](CO)C3CC3)[nH+]c12 ZINC000754269870 652431621 /nfs/dbraw/zinc/43/16/21/652431621.db2.gz IOKIEBGGOHGJGK-CQSZACIVSA-N 1 2 381.274 2.018 20 0 GEADLO OCC[N@@H+](Cc1ncc(I)s1)[C@H]1CCCSC1 ZINC000583289957 652480009 /nfs/dbraw/zinc/48/00/09/652480009.db2.gz ALCZVHKPLGMYKM-VIFPVBQESA-N 1 2 384.308 2.438 20 0 GEADLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@]1(C)CO ZINC000662143109 652449205 /nfs/dbraw/zinc/44/92/05/652449205.db2.gz PIVZCSABDHPARQ-IUODEOHRSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@]1(C)CO ZINC000662143109 652449207 /nfs/dbraw/zinc/44/92/07/652449207.db2.gz PIVZCSABDHPARQ-IUODEOHRSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N(C)Cc2ccc(Br)c(F)c2)CCO1 ZINC000755657324 652471654 /nfs/dbraw/zinc/47/16/54/652471654.db2.gz PQRDZZREAQKSHH-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)Cc2ccc(Br)c(F)c2)CCO1 ZINC000755657324 652471659 /nfs/dbraw/zinc/47/16/59/652471659.db2.gz PQRDZZREAQKSHH-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO OCC[N@H+](Cc1ncc(I)s1)[C@H]1CCCSC1 ZINC000583289957 652480004 /nfs/dbraw/zinc/48/00/04/652480004.db2.gz ALCZVHKPLGMYKM-VIFPVBQESA-N 1 2 384.308 2.438 20 0 GEADLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000583455840 652485529 /nfs/dbraw/zinc/48/55/29/652485529.db2.gz XRZAVJOACALLSX-YOEHRIQHSA-N 1 2 396.329 2.255 20 0 GEADLO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000583455837 652485542 /nfs/dbraw/zinc/48/55/42/652485542.db2.gz XRZAVJOACALLSX-PBHICJAKSA-N 1 2 396.329 2.255 20 0 GEADLO CNC(=O)CCCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000583697659 652494765 /nfs/dbraw/zinc/49/47/65/652494765.db2.gz RKNDNZHGWIGZRV-UHFFFAOYSA-N 1 2 397.273 2.184 20 0 GEADLO Cc1nc(NC[C@@]2(N3CCOCC3)CCSC2)c(Br)c(C)[nH+]1 ZINC000663416519 652497262 /nfs/dbraw/zinc/49/72/62/652497262.db2.gz OGSYDYWJZYUKBO-HNNXBMFYSA-N 1 2 387.347 2.476 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccc(Br)s2)[C@H](C)CO1 ZINC000663543973 652503348 /nfs/dbraw/zinc/50/33/48/652503348.db2.gz AHOIATLEXLEEIW-VXGBXAGGSA-N 1 2 390.347 2.462 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccc(Br)s2)[C@H](C)CO1 ZINC000663543973 652503346 /nfs/dbraw/zinc/50/33/46/652503346.db2.gz AHOIATLEXLEEIW-VXGBXAGGSA-N 1 2 390.347 2.462 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc(Br)cs2)[C@@H](C)CO1 ZINC000663703257 652509441 /nfs/dbraw/zinc/50/94/41/652509441.db2.gz GVZKKSFVZKHPNA-WDEREUQCSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(Br)cs2)[C@@H](C)CO1 ZINC000663703257 652509444 /nfs/dbraw/zinc/50/94/44/652509444.db2.gz GVZKKSFVZKHPNA-WDEREUQCSA-N 1 2 376.320 2.419 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1)Nc1ccc(Br)cc1 ZINC000663872993 652514339 /nfs/dbraw/zinc/51/43/39/652514339.db2.gz XSVJSSQYTSDACJ-HNNXBMFYSA-N 1 2 381.270 2.458 20 0 GEADLO O=C(CC[N@H+]1CCO[C@H](C(=O)C2CC2)C1)Nc1ccc(Br)cc1 ZINC000663872993 652514343 /nfs/dbraw/zinc/51/43/43/652514343.db2.gz XSVJSSQYTSDACJ-HNNXBMFYSA-N 1 2 381.270 2.458 20 0 GEADLO O=C(COc1ccc(Br)cn1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000630743412 652514332 /nfs/dbraw/zinc/51/43/32/652514332.db2.gz PQGNFSSHDIMJNG-UHFFFAOYSA-N 1 2 391.269 2.403 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000630743266 652514479 /nfs/dbraw/zinc/51/44/79/652514479.db2.gz MVVQTFJGOKFIFE-GLZXHMCRSA-N 1 2 379.298 2.172 20 0 GEADLO C[C@@H]1CC[C@@H](NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CS1(=O)=O ZINC000664292964 652525883 /nfs/dbraw/zinc/52/58/83/652525883.db2.gz RUDJAXBSFDOWJV-DAXOMENPSA-N 1 2 387.933 2.208 20 0 GEADLO CN(CCO)c1ccc(NCc2cccc(I)c2)[nH+]c1 ZINC000585731340 652535320 /nfs/dbraw/zinc/53/53/20/652535320.db2.gz QOMZPQXOLSVVJB-UHFFFAOYSA-N 1 2 383.233 2.727 20 0 GEADLO CC(C)(CNC(=O)NCCSCc1ccnc(Cl)c1)[NH+]1CCOCC1 ZINC000758309586 652536687 /nfs/dbraw/zinc/53/66/87/652536687.db2.gz DQTXZCUFABGLDJ-UHFFFAOYSA-N 1 2 386.949 2.378 20 0 GEADLO Cn1ccc(C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1=O ZINC000585760185 652537303 /nfs/dbraw/zinc/53/73/03/652537303.db2.gz RKNVUCWBBUUOHB-UHFFFAOYSA-N 1 2 390.281 2.106 20 0 GEADLO COc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1I ZINC000587066654 652544295 /nfs/dbraw/zinc/54/42/95/652544295.db2.gz XCCDZNMHPFJCDA-NSHDSACASA-N 1 2 397.216 2.241 20 0 GEADLO O=S(=O)(Cc1ncsc1Br)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000632080138 652549932 /nfs/dbraw/zinc/54/99/32/652549932.db2.gz OPGLQCBQKNEEKN-UHFFFAOYSA-N 1 2 391.316 2.338 20 0 GEADLO CN(C)C(=O)C[NH+]1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000665688909 652557938 /nfs/dbraw/zinc/55/79/38/652557938.db2.gz AKXRHCQLXBCPFN-UHFFFAOYSA-N 1 2 377.286 2.208 20 0 GEADLO COc1cc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Br ZINC000666249655 652569778 /nfs/dbraw/zinc/56/97/78/652569778.db2.gz GHFWRUJNUAROBL-CYBMUJFWSA-N 1 2 384.274 2.396 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000666326845 652571567 /nfs/dbraw/zinc/57/15/67/652571567.db2.gz SHUJXHAXWABXTI-ZIAGYGMSSA-N 1 2 390.285 2.030 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(Br)cc1F ZINC000633092483 652585948 /nfs/dbraw/zinc/58/59/48/652585948.db2.gz OLDCLLPCRPXUSM-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1ccc(Br)cc1F ZINC000633092483 652585951 /nfs/dbraw/zinc/58/59/51/652585951.db2.gz OLDCLLPCRPXUSM-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000592203509 652591288 /nfs/dbraw/zinc/59/12/88/652591288.db2.gz QWYYOVSADPRVLU-DOMZBBRYSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000592203509 652591291 /nfs/dbraw/zinc/59/12/91/652591291.db2.gz QWYYOVSADPRVLU-DOMZBBRYSA-N 1 2 395.253 2.460 20 0 GEADLO O=C(Cc1csc(CCC(F)(F)F)n1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000633319503 652593450 /nfs/dbraw/zinc/59/34/50/652593450.db2.gz GBQLTONBRJFKQF-BETUJISGSA-N 1 2 377.432 2.160 20 0 GEADLO O=C(Cc1csc(CCC(F)(F)F)n1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000633319503 652593454 /nfs/dbraw/zinc/59/34/54/652593454.db2.gz GBQLTONBRJFKQF-BETUJISGSA-N 1 2 377.432 2.160 20 0 GEADLO OC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2I)C[C@H]1O ZINC000593026950 652612493 /nfs/dbraw/zinc/61/24/93/652612493.db2.gz ICGCEWOVLYNKBD-TVQRCGJNSA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2I)C[C@H]1O ZINC000593026950 652612494 /nfs/dbraw/zinc/61/24/94/652612494.db2.gz ICGCEWOVLYNKBD-TVQRCGJNSA-N 1 2 381.641 2.120 20 0 GEADLO O=C(CCNC(=O)c1ccsc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000667671698 652617114 /nfs/dbraw/zinc/61/71/14/652617114.db2.gz YTVUGPXEJNBMRO-UHFFFAOYSA-N 1 2 378.885 2.265 20 0 GEADLO CCc1n[nH]c(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)c1Br ZINC000633897785 652619191 /nfs/dbraw/zinc/61/91/91/652619191.db2.gz LJDUBQHBESNCRT-UHFFFAOYSA-N 1 2 393.285 2.398 20 0 GEADLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2nc(Cl)cnc2c1)c1ccco1 ZINC000760852304 652626113 /nfs/dbraw/zinc/62/61/13/652626113.db2.gz YBUXCIBLPGQZJT-AWEZNQCLSA-N 1 2 380.857 2.457 20 0 GEADLO O=C(Cc1ccc(Br)cc1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634513591 652641957 /nfs/dbraw/zinc/64/19/57/652641957.db2.gz VVKYVTHELYYGSM-UHFFFAOYSA-N 1 2 389.297 2.169 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1F ZINC000594469419 652662313 /nfs/dbraw/zinc/66/23/13/652662313.db2.gz YIMXZWHYKZLZIL-CYBMUJFWSA-N 1 2 392.880 2.226 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1F ZINC000594469419 652662316 /nfs/dbraw/zinc/66/23/16/652662316.db2.gz YIMXZWHYKZLZIL-CYBMUJFWSA-N 1 2 392.880 2.226 20 0 GEADLO CNC(=O)C[N@H+](C)Cc1cc(Br)c(OC)c(Br)c1 ZINC000668789967 652667974 /nfs/dbraw/zinc/66/79/74/652667974.db2.gz DGXGXORWVCAXRM-UHFFFAOYSA-N 1 2 380.080 2.398 20 0 GEADLO CNC(=O)C[N@@H+](C)Cc1cc(Br)c(OC)c(Br)c1 ZINC000668789967 652667985 /nfs/dbraw/zinc/66/79/85/652667985.db2.gz DGXGXORWVCAXRM-UHFFFAOYSA-N 1 2 380.080 2.398 20 0 GEADLO C[C@H]([C@@H]1C[N@H+](C)CCO1)N1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000762170368 652678081 /nfs/dbraw/zinc/67/80/81/652678081.db2.gz LPGZSZBXEDKDPQ-SEHCQNQUSA-N 1 2 386.279 2.480 20 0 GEADLO C[C@H]([C@@H]1C[N@@H+](C)CCO1)N1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000762170368 652678085 /nfs/dbraw/zinc/67/80/85/652678085.db2.gz LPGZSZBXEDKDPQ-SEHCQNQUSA-N 1 2 386.279 2.480 20 0 GEADLO C[C@H]([C@H]1C[N@H+](C)CCO1)N1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000762170362 652678105 /nfs/dbraw/zinc/67/81/05/652678105.db2.gz LPGZSZBXEDKDPQ-LGFNAOKASA-N 1 2 386.279 2.480 20 0 GEADLO C[C@H]([C@H]1C[N@@H+](C)CCO1)N1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000762170362 652678112 /nfs/dbraw/zinc/67/81/12/652678112.db2.gz LPGZSZBXEDKDPQ-LGFNAOKASA-N 1 2 386.279 2.480 20 0 GEADLO C[C@H]([C@H]1C[N@H+](C)CCO1)N1C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000762171458 652678574 /nfs/dbraw/zinc/67/85/74/652678574.db2.gz OIGWEFQQLLHBGU-VCTAVGKDSA-N 1 2 386.279 2.175 20 0 GEADLO C[C@H]([C@H]1C[N@@H+](C)CCO1)N1C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000762171458 652678580 /nfs/dbraw/zinc/67/85/80/652678580.db2.gz OIGWEFQQLLHBGU-VCTAVGKDSA-N 1 2 386.279 2.175 20 0 GEADLO C[C@@]1(c2cccc(Br)c2)NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000762189812 652680101 /nfs/dbraw/zinc/68/01/01/652680101.db2.gz STLRCYXNXUAOHJ-DYVFJYSZSA-N 1 2 389.253 2.428 20 0 GEADLO C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1nnnn1C1CC1 ZINC000762362534 652687258 /nfs/dbraw/zinc/68/72/58/652687258.db2.gz DDGFJYNFFKGSFK-HZMBPMFUSA-N 1 2 391.273 2.227 20 0 GEADLO CN1C(=O)[C@@H]([NH2+]Cc2ncc(I)s2)Cc2ccccc21 ZINC000594962413 652698661 /nfs/dbraw/zinc/69/86/61/652698661.db2.gz DLZOSKDGHHHCMJ-JTQLQIEISA-N 1 2 399.257 2.425 20 0 GEADLO COC1(CNc2[nH]c3ccc(I)cc3[nH+]2)CCOCC1 ZINC000595000463 652701966 /nfs/dbraw/zinc/70/19/66/652701966.db2.gz MKYBTHPRDAJRPS-UHFFFAOYSA-N 1 2 387.221 2.197 20 0 GEADLO COC1(CNc2[nH]c3cc(I)ccc3[nH+]2)CCOCC1 ZINC000595000463 652701971 /nfs/dbraw/zinc/70/19/71/652701971.db2.gz MKYBTHPRDAJRPS-UHFFFAOYSA-N 1 2 387.221 2.197 20 0 GEADLO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[C@H]1CCCS1(=O)=O ZINC000635454313 652730192 /nfs/dbraw/zinc/73/01/92/652730192.db2.gz YNTUFGMASHYIMK-MRXNPFEDSA-N 1 2 382.551 2.450 20 0 GEADLO CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459331 652730618 /nfs/dbraw/zinc/73/06/18/652730618.db2.gz AUMZFIDMTZMPAI-SDDRHHMPSA-N 1 2 378.420 2.193 20 0 GEADLO CC(C)CNC(=O)[C@H]1CSCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635460315 652731387 /nfs/dbraw/zinc/73/13/87/652731387.db2.gz JTJOOPPCUAKGHK-NEPJUHHUSA-N 1 2 378.420 2.050 20 0 GEADLO COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000595855849 652739187 /nfs/dbraw/zinc/73/91/87/652739187.db2.gz HORSYRCGKTZKPN-JGZJWPJOSA-N 1 2 380.242 2.392 20 0 GEADLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000595855849 652739197 /nfs/dbraw/zinc/73/91/97/652739197.db2.gz HORSYRCGKTZKPN-JGZJWPJOSA-N 1 2 380.242 2.392 20 0 GEADLO O=C(Nc1cnc(N2CCOCC2)c(Br)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635894636 652763945 /nfs/dbraw/zinc/76/39/45/652763945.db2.gz HWKCNSMFCVLSGJ-VXGBXAGGSA-N 1 2 392.257 2.146 20 0 GEADLO O=C(Nc1cnc(N2CCOCC2)c(Br)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635894636 652763951 /nfs/dbraw/zinc/76/39/51/652763951.db2.gz HWKCNSMFCVLSGJ-VXGBXAGGSA-N 1 2 392.257 2.146 20 0 GEADLO CS(=O)(=O)CC1CCC(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635972797 652770082 /nfs/dbraw/zinc/77/00/82/652770082.db2.gz GYVHGFGOQBBVTR-BPCQOVAHSA-N 1 2 381.420 2.096 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cc(I)ccc1O ZINC000597440543 652782886 /nfs/dbraw/zinc/78/28/86/652782886.db2.gz CRSLNJLTECFAMR-NXEZZACHSA-N 1 2 383.189 2.473 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc(I)c2)[C@@H](C)CO1 ZINC000597996351 652795879 /nfs/dbraw/zinc/79/58/79/652795879.db2.gz ITOBUSRWVRAXJQ-NWDGAFQWSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(I)c2)[C@@H](C)CO1 ZINC000597996351 652795888 /nfs/dbraw/zinc/79/58/88/652795888.db2.gz ITOBUSRWVRAXJQ-NWDGAFQWSA-N 1 2 388.249 2.130 20 0 GEADLO CN(CC(C)(C)S(C)(=O)=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000764419513 652799222 /nfs/dbraw/zinc/79/92/22/652799222.db2.gz KFTMOPYJWHNNCJ-OAHLLOKOSA-N 1 2 389.949 2.407 20 0 GEADLO COc1cccc(OCC[NH+]2CCN(C(=S)NCCCSC)CC2)c1 ZINC000764502865 652803178 /nfs/dbraw/zinc/80/31/78/652803178.db2.gz JBCHHIYVLWUZJX-UHFFFAOYSA-N 1 2 383.583 2.319 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000636726385 652819196 /nfs/dbraw/zinc/81/91/96/652819196.db2.gz XRHYIPYLBCCJAH-UONOGXRCSA-N 1 2 390.285 2.148 20 0 GEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(Br)c2c(c1)OCCO2 ZINC000672148429 652827842 /nfs/dbraw/zinc/82/78/42/652827842.db2.gz NSPUNQRCPISYNR-LLVKDONJSA-N 1 2 378.226 2.162 20 0 GEADLO C[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000636975297 652833068 /nfs/dbraw/zinc/83/30/68/652833068.db2.gz GIJFKNIHAWPRAV-HZMBPMFUSA-N 1 2 396.340 2.328 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637095923 652838215 /nfs/dbraw/zinc/83/82/15/652838215.db2.gz FIJRYYWXQKWSPS-ZIAGYGMSSA-N 1 2 390.285 2.148 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=S)NC[C@@H]2CCCO2)c2ccc(Cl)cc2)C1 ZINC000765516221 652842290 /nfs/dbraw/zinc/84/22/90/652842290.db2.gz GQTDAZXVPSTTIM-ULQDDVLXSA-N 1 2 383.945 2.355 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](NC(=S)NC[C@@H]2CCCO2)c2ccc(Cl)cc2)C1 ZINC000765516221 652842294 /nfs/dbraw/zinc/84/22/94/652842294.db2.gz GQTDAZXVPSTTIM-ULQDDVLXSA-N 1 2 383.945 2.355 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(I)ccc1F ZINC000598948012 652842348 /nfs/dbraw/zinc/84/23/48/652842348.db2.gz OCFXQANGPXTULX-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NC(=S)NCc2ccon2)c2ccc(Cl)cc2)C1 ZINC000765520087 652842653 /nfs/dbraw/zinc/84/26/53/652842653.db2.gz KMGUQSSEZZMLRV-JKSUJKDBSA-N 1 2 380.901 2.364 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NC(=S)NCc2ccon2)c2ccc(Cl)cc2)C1 ZINC000765520087 652842655 /nfs/dbraw/zinc/84/26/55/652842655.db2.gz KMGUQSSEZZMLRV-JKSUJKDBSA-N 1 2 380.901 2.364 20 0 GEADLO O=C(CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000637176320 652844938 /nfs/dbraw/zinc/84/49/38/652844938.db2.gz VOBLFXMGLOQABJ-CYBMUJFWSA-N 1 2 382.251 2.443 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1C(F)(F)F ZINC000672880797 652848966 /nfs/dbraw/zinc/84/89/66/652848966.db2.gz UMLNAWFEKFBGAT-UHFFFAOYSA-N 1 2 380.432 2.091 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1C(F)(F)F ZINC000672880797 652848968 /nfs/dbraw/zinc/84/89/68/652848968.db2.gz UMLNAWFEKFBGAT-UHFFFAOYSA-N 1 2 380.432 2.091 20 0 GEADLO COC(=O)[C@H](C)C[N@H+](CN1C(=O)c2ccc(Br)cc2C1=O)C1CC1 ZINC000766069362 652865142 /nfs/dbraw/zinc/86/51/42/652865142.db2.gz MTMLXPFGVBHEMS-SNVBAGLBSA-N 1 2 395.253 2.276 20 0 GEADLO COC(=O)[C@H](C)C[N@@H+](CN1C(=O)c2ccc(Br)cc2C1=O)C1CC1 ZINC000766069362 652865145 /nfs/dbraw/zinc/86/51/45/652865145.db2.gz MTMLXPFGVBHEMS-SNVBAGLBSA-N 1 2 395.253 2.276 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC)C[NH+]2CCCC2)cc1 ZINC000673568668 652869993 /nfs/dbraw/zinc/86/99/93/652869993.db2.gz OXKIQEPDFKLELB-OAHLLOKOSA-N 1 2 388.555 2.023 20 0 GEADLO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000637947121 652878803 /nfs/dbraw/zinc/87/88/03/652878803.db2.gz ZIGAZTKRCOVKPV-UHFFFAOYSA-N 1 2 387.933 2.066 20 0 GEADLO COC(=O)[C@]1([NH2+]CCc2ccnn2C)CCc2cc(Br)ccc2C1 ZINC000599596107 652878776 /nfs/dbraw/zinc/87/87/76/652878776.db2.gz ZQKUGKDNDSOHSD-SFHVURJKSA-N 1 2 392.297 2.415 20 0 GEADLO COC(=O)C1C[C@@H](C)[NH+](CC(=O)Nc2ccc(Br)cn2)[C@H](C)C1 ZINC000599695033 652883951 /nfs/dbraw/zinc/88/39/51/652883951.db2.gz JPVBWQYISJYNBB-GHMZBOCLSA-N 1 2 384.274 2.445 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH2+]Cc2cccnc2OCC(F)(F)F)s1 ZINC000638350469 652887097 /nfs/dbraw/zinc/88/70/97/652887097.db2.gz JCEJHCBOTCFVBZ-UHFFFAOYSA-N 1 2 381.401 2.021 20 0 GEADLO O=S(=O)(CC[N@H+]1CCC[C@H](CCO)C1)c1cccc(Br)c1 ZINC000674304091 652893378 /nfs/dbraw/zinc/89/33/78/652893378.db2.gz KLZANEJNXMPIKK-CYBMUJFWSA-N 1 2 376.316 2.317 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@H](CCO)C1)c1cccc(Br)c1 ZINC000674304091 652893381 /nfs/dbraw/zinc/89/33/81/652893381.db2.gz KLZANEJNXMPIKK-CYBMUJFWSA-N 1 2 376.316 2.317 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cnc(Cl)n1C ZINC000766848533 652900307 /nfs/dbraw/zinc/90/03/07/652900307.db2.gz CEGPCQTXPYDQTJ-UONOGXRCSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cnc(Cl)n1C ZINC000766848533 652900312 /nfs/dbraw/zinc/90/03/12/652900312.db2.gz CEGPCQTXPYDQTJ-UONOGXRCSA-N 1 2 382.917 2.357 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c(Cl)cc1Cl ZINC000766856158 652900777 /nfs/dbraw/zinc/90/07/77/652900777.db2.gz GWAAVACZPRCKSE-UHFFFAOYSA-N 1 2 395.308 2.495 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c(Cl)cc1Cl ZINC000766856158 652900784 /nfs/dbraw/zinc/90/07/84/652900784.db2.gz GWAAVACZPRCKSE-UHFFFAOYSA-N 1 2 395.308 2.495 20 0 GEADLO O=C(C1COc2ccc(Br)cc21)N1CC2CCC1C1C[NH2+]CC12 ZINC000639008028 652915820 /nfs/dbraw/zinc/91/58/20/652915820.db2.gz QINLYWGRDJPKRL-IRHMCKRBSA-N 1 2 377.282 2.382 20 0 GEADLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000675146025 652917849 /nfs/dbraw/zinc/91/78/49/652917849.db2.gz DKGYSDGOZRSORK-MLGOLLRUSA-N 1 2 382.913 2.245 20 0 GEADLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000675146025 652917851 /nfs/dbraw/zinc/91/78/51/652917851.db2.gz DKGYSDGOZRSORK-MLGOLLRUSA-N 1 2 382.913 2.245 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000639107596 652918790 /nfs/dbraw/zinc/91/87/90/652918790.db2.gz TUSXEBMWOCZHND-GXFFZTMASA-N 1 2 386.823 2.123 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000639107596 652918793 /nfs/dbraw/zinc/91/87/93/652918793.db2.gz TUSXEBMWOCZHND-GXFFZTMASA-N 1 2 386.823 2.123 20 0 GEADLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1 ZINC000675219947 652919377 /nfs/dbraw/zinc/91/93/77/652919377.db2.gz UGTVLYLARUZJEW-GJZGRUSLSA-N 1 2 397.313 2.458 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cnn3cc(Br)cnc23)C[C@]2(CCCOC2)O1 ZINC000639129836 652921265 /nfs/dbraw/zinc/92/12/65/652921265.db2.gz VWJJHMHEHQPFCI-WBMJQRKESA-N 1 2 381.274 2.262 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cnn3cc(Br)cnc23)C[C@]2(CCCOC2)O1 ZINC000639129836 652921271 /nfs/dbraw/zinc/92/12/71/652921271.db2.gz VWJJHMHEHQPFCI-WBMJQRKESA-N 1 2 381.274 2.262 20 0 GEADLO COc1nsc(CN(C)C(C)(C)C[NH+]2CCOCC2)c1Br ZINC000639271852 652929353 /nfs/dbraw/zinc/92/93/53/652929353.db2.gz HNVWWLONFJSUNI-UHFFFAOYSA-N 1 2 378.336 2.457 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C2CC2)C1 ZINC000639531616 652941326 /nfs/dbraw/zinc/94/13/26/652941326.db2.gz LCSAUVLBWWLYGM-LSDHHAIUSA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C2CC2)C1 ZINC000639531616 652941329 /nfs/dbraw/zinc/94/13/29/652941329.db2.gz LCSAUVLBWWLYGM-LSDHHAIUSA-N 1 2 394.320 2.385 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639773054 652953934 /nfs/dbraw/zinc/95/39/34/652953934.db2.gz MQWCYOAPDCQTRQ-CYBMUJFWSA-N 1 2 394.273 2.276 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639773054 652953939 /nfs/dbraw/zinc/95/39/39/652953939.db2.gz MQWCYOAPDCQTRQ-CYBMUJFWSA-N 1 2 394.273 2.276 20 0 GEADLO Brc1cncc(O[C@@H]2CC[N@H+](Cc3cn(CC4CC4)nn3)C2)c1 ZINC000639777814 652955350 /nfs/dbraw/zinc/95/53/50/652955350.db2.gz XZGDALVGTJYBSD-OAHLLOKOSA-N 1 2 378.274 2.499 20 0 GEADLO Brc1cncc(O[C@@H]2CC[N@@H+](Cc3cn(CC4CC4)nn3)C2)c1 ZINC000639777814 652955354 /nfs/dbraw/zinc/95/53/54/652955354.db2.gz XZGDALVGTJYBSD-OAHLLOKOSA-N 1 2 378.274 2.499 20 0 GEADLO FC(F)(F)Cn1ccnc1C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639776824 652955387 /nfs/dbraw/zinc/95/53/87/652955387.db2.gz SIRPWDOVZXQWIO-CQSZACIVSA-N 1 2 378.464 2.085 20 0 GEADLO FC(F)(F)Cn1ccnc1C[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639776824 652955392 /nfs/dbraw/zinc/95/53/92/652955392.db2.gz SIRPWDOVZXQWIO-CQSZACIVSA-N 1 2 378.464 2.085 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000639811287 652956421 /nfs/dbraw/zinc/95/64/21/652956421.db2.gz ZIRLTVGNHQTLPA-UHFFFAOYSA-N 1 2 378.420 2.295 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000639811287 652956432 /nfs/dbraw/zinc/95/64/32/652956432.db2.gz ZIRLTVGNHQTLPA-UHFFFAOYSA-N 1 2 378.420 2.295 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2nccn3c(Br)cnc23)C1 ZINC000768154188 653103145 /nfs/dbraw/zinc/10/31/45/653103145.db2.gz CVGJLNPWMNPFGH-NSHDSACASA-N 1 2 389.257 2.245 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@@H](C)C[N@@H+]1C ZINC000768562642 653117328 /nfs/dbraw/zinc/11/73/28/653117328.db2.gz PEQSVHWFTALADI-BDAKNGLRSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@@H](C)C[N@H+]1C ZINC000768562642 653117333 /nfs/dbraw/zinc/11/73/33/653117333.db2.gz PEQSVHWFTALADI-BDAKNGLRSA-N 1 2 382.711 2.211 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2nnc(-c3ccccc3Br)o2)C1 ZINC000805479599 653119211 /nfs/dbraw/zinc/11/92/11/653119211.db2.gz RYMZDJZALLUXOG-CYBMUJFWSA-N 1 2 396.241 2.263 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2nnc(-c3ccccc3Br)o2)C1 ZINC000805479599 653119213 /nfs/dbraw/zinc/11/92/13/653119213.db2.gz RYMZDJZALLUXOG-CYBMUJFWSA-N 1 2 396.241 2.263 20 0 GEADLO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ncc(Br)s1 ZINC000679067156 653138016 /nfs/dbraw/zinc/13/80/16/653138016.db2.gz QCCISJSOAURBEE-QXEWZRGKSA-N 1 2 384.303 2.484 20 0 GEADLO C[C@@H](Cc1cccs1)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000679149859 653139141 /nfs/dbraw/zinc/13/91/41/653139141.db2.gz VAZGFKGXRJMKLQ-AWEZNQCLSA-N 1 2 380.539 2.268 20 0 GEADLO COc1cc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)sc1Br ZINC000679315491 653143320 /nfs/dbraw/zinc/14/33/20/653143320.db2.gz VIHWJCTWAGRVJI-UHFFFAOYSA-N 1 2 377.304 2.048 20 0 GEADLO COCC[N@H+](C)Cc1cn([C@@H](C)C(=O)Nc2cccc(Br)c2)nn1 ZINC000640881008 653143614 /nfs/dbraw/zinc/14/36/14/653143614.db2.gz NFAJUNNEIRXRGZ-LBPRGKRZSA-N 1 2 396.289 2.319 20 0 GEADLO COCC[N@@H+](C)Cc1cn([C@@H](C)C(=O)Nc2cccc(Br)c2)nn1 ZINC000640881008 653143618 /nfs/dbraw/zinc/14/36/18/653143618.db2.gz NFAJUNNEIRXRGZ-LBPRGKRZSA-N 1 2 396.289 2.319 20 0 GEADLO COCC[N@H+](C)Cc1cn([C@H](C)C(=O)Nc2ccccc2Br)nn1 ZINC000640901461 653145605 /nfs/dbraw/zinc/14/56/05/653145605.db2.gz NJTKWJAJFFSHQC-GFCCVEGCSA-N 1 2 396.289 2.319 20 0 GEADLO COCC[N@@H+](C)Cc1cn([C@H](C)C(=O)Nc2ccccc2Br)nn1 ZINC000640901461 653145611 /nfs/dbraw/zinc/14/56/11/653145611.db2.gz NJTKWJAJFFSHQC-GFCCVEGCSA-N 1 2 396.289 2.319 20 0 GEADLO CCC[N@H+](Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)CC(C)(C)O ZINC000769326861 653148980 /nfs/dbraw/zinc/14/89/80/653148980.db2.gz QEGIGOUKASLVAE-CYBMUJFWSA-N 1 2 377.938 2.187 20 0 GEADLO CCC[N@@H+](Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)CC(C)(C)O ZINC000769326861 653148987 /nfs/dbraw/zinc/14/89/87/653148987.db2.gz QEGIGOUKASLVAE-CYBMUJFWSA-N 1 2 377.938 2.187 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+](C)CC1CCOCC1 ZINC000769384694 653150979 /nfs/dbraw/zinc/15/09/79/653150979.db2.gz TXUFXKKRZRGTGC-CQSZACIVSA-N 1 2 375.922 2.063 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+](C)CC1CCOCC1 ZINC000769384694 653150988 /nfs/dbraw/zinc/15/09/88/653150988.db2.gz TXUFXKKRZRGTGC-CQSZACIVSA-N 1 2 375.922 2.063 20 0 GEADLO NC(=O)c1csc(C[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000679774651 653152691 /nfs/dbraw/zinc/15/26/91/653152691.db2.gz VVRAAEJUDNZEIG-MRXNPFEDSA-N 1 2 379.507 2.253 20 0 GEADLO NC(=O)c1csc(C[N@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000679774651 653152696 /nfs/dbraw/zinc/15/26/96/653152696.db2.gz VVRAAEJUDNZEIG-MRXNPFEDSA-N 1 2 379.507 2.253 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000769481026 653159100 /nfs/dbraw/zinc/15/91/00/653159100.db2.gz RDYBGOUAOQIJKC-RUZDIDTESA-N 1 2 380.945 2.081 20 0 GEADLO Fc1cc(Br)cc(Cn2cc(CC[NH+]3CCOCC3)nn2)c1F ZINC000641119125 653159087 /nfs/dbraw/zinc/15/90/87/653159087.db2.gz ITFDUDCQWFBIKN-UHFFFAOYSA-N 1 2 387.228 2.242 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc(I)s2)C1 ZINC000602449161 653182024 /nfs/dbraw/zinc/18/20/24/653182024.db2.gz OGWQSNNUJUDVGB-JTQLQIEISA-N 1 2 391.278 2.342 20 0 GEADLO Cc1cc(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)ccc1I ZINC000602309638 653169575 /nfs/dbraw/zinc/16/95/75/653169575.db2.gz BWAGGGVANPVPIP-GFCCVEGCSA-N 1 2 396.232 2.220 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CCO1 ZINC000806666184 653172489 /nfs/dbraw/zinc/17/24/89/653172489.db2.gz HFJIRJXSIDJUQO-WBMJQRKESA-N 1 2 397.317 2.315 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CCO1 ZINC000806666184 653172491 /nfs/dbraw/zinc/17/24/91/653172491.db2.gz HFJIRJXSIDJUQO-WBMJQRKESA-N 1 2 397.317 2.315 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CCO1 ZINC000806666182 653172611 /nfs/dbraw/zinc/17/26/11/653172611.db2.gz HFJIRJXSIDJUQO-LRDDRELGSA-N 1 2 397.317 2.315 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CCO1 ZINC000806666182 653172618 /nfs/dbraw/zinc/17/26/18/653172618.db2.gz HFJIRJXSIDJUQO-LRDDRELGSA-N 1 2 397.317 2.315 20 0 GEADLO CCNC(=O)C[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000680948653 653174774 /nfs/dbraw/zinc/17/47/74/653174774.db2.gz UXUOCUWBNUDKFT-UHFFFAOYSA-N 1 2 379.096 2.362 20 0 GEADLO CCNC(=O)C[N@@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000680948653 653174779 /nfs/dbraw/zinc/17/47/79/653174779.db2.gz UXUOCUWBNUDKFT-UHFFFAOYSA-N 1 2 379.096 2.362 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000641291743 653179841 /nfs/dbraw/zinc/17/98/41/653179841.db2.gz CYLUVYZIVCXSRH-ZDUSSCGKSA-N 1 2 386.271 2.089 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc(I)s2)C1 ZINC000602449161 653182019 /nfs/dbraw/zinc/18/20/19/653182019.db2.gz OGWQSNNUJUDVGB-JTQLQIEISA-N 1 2 391.278 2.342 20 0 GEADLO COC(=O)CCC[N@H+](Cc1ccc(S(N)(=O)=O)s1)Cc1ccccc1 ZINC000602488790 653186233 /nfs/dbraw/zinc/18/62/33/653186233.db2.gz VLFDKMKWRNAXIT-UHFFFAOYSA-N 1 2 382.507 2.351 20 0 GEADLO COC(=O)CCC[N@@H+](Cc1ccc(S(N)(=O)=O)s1)Cc1ccccc1 ZINC000602488790 653186244 /nfs/dbraw/zinc/18/62/44/653186244.db2.gz VLFDKMKWRNAXIT-UHFFFAOYSA-N 1 2 382.507 2.351 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc(C)cc1Br ZINC000807282856 653188956 /nfs/dbraw/zinc/18/89/56/653188956.db2.gz CAYRISLTJIJYOS-OAHLLOKOSA-N 1 2 394.269 2.245 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Cl)c(Br)c1 ZINC000807280390 653189018 /nfs/dbraw/zinc/18/90/18/653189018.db2.gz GJFXBFLQVUULPH-GFCCVEGCSA-N 1 2 386.633 2.271 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2nnc(C(C)(C)C)s2)C1 ZINC000641394189 653197972 /nfs/dbraw/zinc/19/79/72/653197972.db2.gz FVXODOXCZGRVLY-UHFFFAOYSA-N 1 2 380.539 2.302 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2nnc(C(C)(C)C)s2)C1 ZINC000641394189 653197983 /nfs/dbraw/zinc/19/79/83/653197983.db2.gz FVXODOXCZGRVLY-UHFFFAOYSA-N 1 2 380.539 2.302 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)C1 ZINC000641401762 653199626 /nfs/dbraw/zinc/19/96/26/653199626.db2.gz VNJBGXFICRDGFE-QGZVFWFLSA-N 1 2 378.519 2.498 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)C1 ZINC000641401762 653199633 /nfs/dbraw/zinc/19/96/33/653199633.db2.gz VNJBGXFICRDGFE-QGZVFWFLSA-N 1 2 378.519 2.498 20 0 GEADLO CCCCn1c(SCC2CN(S(C)(=O)=O)C2)nnc1[C@@H](CC)[NH+](C)C ZINC000641403886 653199881 /nfs/dbraw/zinc/19/98/81/653199881.db2.gz PYQUTQUQJXVSDI-CQSZACIVSA-N 1 2 389.591 2.074 20 0 GEADLO Cc1nc(C)c(C[NH+]2CCN(c3ncc(I)cn3)CC2)o1 ZINC000602731893 653203056 /nfs/dbraw/zinc/20/30/56/653203056.db2.gz CRBGFEJPBYJGMT-UHFFFAOYSA-N 1 2 399.236 2.008 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCc2c(Br)ccc(F)c2C1 ZINC000641423377 653203863 /nfs/dbraw/zinc/20/38/63/653203863.db2.gz RLQZKIDNBONZRL-UHFFFAOYSA-N 1 2 388.262 2.173 20 0 GEADLO O=C(/C=C/c1cc(Br)ccc1F)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000773534017 653204385 /nfs/dbraw/zinc/20/43/85/653204385.db2.gz RLZIOBGUBJDTMT-IJJSQOHJSA-N 1 2 382.277 2.108 20 0 GEADLO O=C(/C=C/c1cc(Br)ccc1F)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000773534017 653204389 /nfs/dbraw/zinc/20/43/89/653204389.db2.gz RLZIOBGUBJDTMT-IJJSQOHJSA-N 1 2 382.277 2.108 20 0 GEADLO O=C(/C=C\c1cc(Br)ccc1F)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000773534022 653204438 /nfs/dbraw/zinc/20/44/38/653204438.db2.gz RLZIOBGUBJDTMT-PRSOIBJXSA-N 1 2 382.277 2.108 20 0 GEADLO O=C(/C=C\c1cc(Br)ccc1F)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000773534022 653204447 /nfs/dbraw/zinc/20/44/47/653204447.db2.gz RLZIOBGUBJDTMT-PRSOIBJXSA-N 1 2 382.277 2.108 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602750909 653204411 /nfs/dbraw/zinc/20/44/11/653204411.db2.gz AZMFEORFRPPNOS-SNVBAGLBSA-N 1 2 375.226 2.306 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000770285701 653207654 /nfs/dbraw/zinc/20/76/54/653207654.db2.gz IVIYPMPHVXWMQR-SQWLQELKSA-N 1 2 387.933 2.205 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000770285701 653207661 /nfs/dbraw/zinc/20/76/61/653207661.db2.gz IVIYPMPHVXWMQR-SQWLQELKSA-N 1 2 387.933 2.205 20 0 GEADLO COC(=O)c1cc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c(Br)cc1F ZINC000602859474 653210362 /nfs/dbraw/zinc/21/03/62/653210362.db2.gz CRHFSSNJHPPODR-MRVPVSSYSA-N 1 2 397.204 2.318 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682457668 653210351 /nfs/dbraw/zinc/21/03/51/653210351.db2.gz JZPGCFNMQJOMGG-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(c2ncnc(C(F)(F)F)c2Br)[C@H](C)C1 ZINC000641501040 653215073 /nfs/dbraw/zinc/21/50/73/653215073.db2.gz QICULXHJGFQGQQ-BDAKNGLRSA-N 1 2 383.212 2.149 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(c2ncnc(C(F)(F)F)c2Br)[C@H](C)C1 ZINC000641501040 653215077 /nfs/dbraw/zinc/21/50/77/653215077.db2.gz QICULXHJGFQGQQ-BDAKNGLRSA-N 1 2 383.212 2.149 20 0 GEADLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000682514552 653216670 /nfs/dbraw/zinc/21/66/70/653216670.db2.gz FNLIYIBDDZGMHE-SMDDNHRTSA-N 1 2 379.869 2.086 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000641521551 653217426 /nfs/dbraw/zinc/21/74/26/653217426.db2.gz JFGJKFCOYFVHDV-AWEZNQCLSA-N 1 2 384.299 2.465 20 0 GEADLO COc1cc(I)ccc1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000603023056 653222271 /nfs/dbraw/zinc/22/22/71/653222271.db2.gz SGDNGLASQAPHDK-JTQLQIEISA-N 1 2 398.204 2.243 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000774291837 653233115 /nfs/dbraw/zinc/23/31/15/653233115.db2.gz RICDHRNMGGAAGP-NSHDSACASA-N 1 2 392.257 2.220 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000683659230 653237059 /nfs/dbraw/zinc/23/70/59/653237059.db2.gz NQQYZLPKLATRLK-BXUZGUMPSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000683659230 653237068 /nfs/dbraw/zinc/23/70/68/653237068.db2.gz NQQYZLPKLATRLK-BXUZGUMPSA-N 1 2 376.266 2.359 20 0 GEADLO C[C@@H](N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000684554753 653275305 /nfs/dbraw/zinc/27/53/05/653275305.db2.gz PFUSDJZTCAOLBZ-IMSIIYSGSA-N 1 2 396.340 2.011 20 0 GEADLO C[C@@H](N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000684554753 653275317 /nfs/dbraw/zinc/27/53/17/653275317.db2.gz PFUSDJZTCAOLBZ-IMSIIYSGSA-N 1 2 396.340 2.011 20 0 GEADLO C[C@@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1cccc(NS(C)(=O)=O)c1 ZINC000809609465 653283969 /nfs/dbraw/zinc/28/39/69/653283969.db2.gz DNMPFSQNNIMOEP-LLVKDONJSA-N 1 2 383.495 2.411 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl)c1ccccc1Cl ZINC000775076010 653284996 /nfs/dbraw/zinc/28/49/96/653284996.db2.gz ABOMLFHTPBKCHM-GWCFXTLKSA-N 1 2 392.714 2.369 20 0 GEADLO O=C(NCCCCNc1cccc[nH+]1)c1c(Br)nc2n1CCOC2 ZINC000857116897 653285248 /nfs/dbraw/zinc/28/52/48/653285248.db2.gz ASCJPPIJGAHVBE-UHFFFAOYSA-N 1 2 394.273 2.193 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cscc2C(F)(F)F)CC1 ZINC000857119935 653286494 /nfs/dbraw/zinc/28/64/94/653286494.db2.gz BONKCHRDRXADOP-UHFFFAOYSA-N 1 2 384.445 2.006 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809656163 653286937 /nfs/dbraw/zinc/28/69/37/653286937.db2.gz XRVRFNWDFCUTEW-OCCSQVGLSA-N 1 2 388.295 2.487 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809656163 653286962 /nfs/dbraw/zinc/28/69/62/653286962.db2.gz XRVRFNWDFCUTEW-OCCSQVGLSA-N 1 2 388.295 2.487 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)C[C@@H]1CCCC(F)(F)C1)[NH+]1CCN(C)CC1 ZINC000685296974 653302300 /nfs/dbraw/zinc/30/23/00/653302300.db2.gz XLANOYNAMSOZOF-HZPDHXFCSA-N 1 2 381.533 2.003 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(Br)cnc1Cl ZINC000874703236 653333253 /nfs/dbraw/zinc/33/32/53/653333253.db2.gz PBPJASLMEIVILE-LLVKDONJSA-N 1 2 376.682 2.338 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(Br)cnc1Cl ZINC000874703236 653333254 /nfs/dbraw/zinc/33/32/54/653333254.db2.gz PBPJASLMEIVILE-LLVKDONJSA-N 1 2 376.682 2.338 20 0 GEADLO Cc1ccc(NC(=O)c2c(Br)nc3n2CCOC3)c(N(C)C)[nH+]1 ZINC000857714267 653334427 /nfs/dbraw/zinc/33/44/27/653334427.db2.gz JXQMRVXWBPMGTJ-UHFFFAOYSA-N 1 2 380.246 2.198 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)NC[C@@H](O)c1ccccc1Br ZINC000836249612 653340796 /nfs/dbraw/zinc/34/07/96/653340796.db2.gz NEYDHLYDRVVIDJ-OAHLLOKOSA-N 1 2 381.274 2.459 20 0 GEADLO CC(=O)N1CCc2sc(S(=O)(=O)N3c4cc[nH+]cc4C[C@H]3C)cc2C1 ZINC000857899520 653342868 /nfs/dbraw/zinc/34/28/68/653342868.db2.gz HRLXSDOGZGBESQ-LLVKDONJSA-N 1 2 377.491 2.188 20 0 GEADLO Cn1ccnc1[C@](O)(C[NH2+]Cc1ncc(Br)cc1F)C(F)(F)F ZINC000858135399 653349568 /nfs/dbraw/zinc/34/95/68/653349568.db2.gz TZWVQHYGIZJUFL-GFCCVEGCSA-N 1 2 397.170 2.256 20 0 GEADLO Cn1cc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c(Br)n1 ZINC000858161002 653351745 /nfs/dbraw/zinc/35/17/45/653351745.db2.gz XYAUJISFQQWADO-AWEZNQCLSA-N 1 2 381.249 2.212 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1ncc(Br)cc1F)CC(F)(F)F ZINC000858189722 653353987 /nfs/dbraw/zinc/35/39/87/653353987.db2.gz WCABXMJJFNCXAI-UHFFFAOYSA-N 1 2 379.173 2.050 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)c1 ZINC000875656604 653382427 /nfs/dbraw/zinc/38/24/27/653382427.db2.gz DXXDTRHJRARCST-HZPDHXFCSA-N 1 2 393.285 2.243 20 0 GEADLO CCCc1nc(C)c(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)s1 ZINC000777013916 653383174 /nfs/dbraw/zinc/38/31/74/653383174.db2.gz GWTMTBHMVGXQAQ-UHFFFAOYSA-N 1 2 388.559 2.035 20 0 GEADLO COC(=O)NCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000837090176 653400882 /nfs/dbraw/zinc/40/08/82/653400882.db2.gz CLFFFKKVORTXKI-AWEZNQCLSA-N 1 2 384.274 2.058 20 0 GEADLO C[N@H+](CCn1cc(Br)cn1)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811776448 653404100 /nfs/dbraw/zinc/40/41/00/653404100.db2.gz NCMMOQQEGMQIQX-LSDHHAIUSA-N 1 2 397.317 2.095 20 0 GEADLO C[N@@H+](CCn1cc(Br)cn1)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811776448 653404108 /nfs/dbraw/zinc/40/41/08/653404108.db2.gz NCMMOQQEGMQIQX-LSDHHAIUSA-N 1 2 397.317 2.095 20 0 GEADLO CC[C@H](C(=O)NC[C@@H](O)c1ccccc1Br)[N@@H+]1CCO[C@H](CC)C1 ZINC000837197163 653410484 /nfs/dbraw/zinc/41/04/84/653410484.db2.gz BUGJBSHKRVZHCK-KBRIMQKVSA-N 1 2 399.329 2.488 20 0 GEADLO CC[C@H](C(=O)NC[C@@H](O)c1ccccc1Br)[N@H+]1CCO[C@H](CC)C1 ZINC000837197163 653410492 /nfs/dbraw/zinc/41/04/92/653410492.db2.gz BUGJBSHKRVZHCK-KBRIMQKVSA-N 1 2 399.329 2.488 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2c(Cl)ccnc2Cl)C[C@H](C)O1 ZINC000777963117 653414368 /nfs/dbraw/zinc/41/43/68/653414368.db2.gz HDDLESASBFZPIF-PHIMTYICSA-N 1 2 382.313 2.166 20 0 GEADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2c(Cl)ccnc2Cl)C[C@H](C)O1 ZINC000777963117 653414372 /nfs/dbraw/zinc/41/43/72/653414372.db2.gz HDDLESASBFZPIF-PHIMTYICSA-N 1 2 382.313 2.166 20 0 GEADLO Cc1cc(C)c(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c(C)c1Br ZINC000859191587 653420535 /nfs/dbraw/zinc/42/05/35/653420535.db2.gz QPWAUYZUSQZILS-UHFFFAOYSA-N 1 2 382.302 2.008 20 0 GEADLO Cc1cc(C)c(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c(C)c1Br ZINC000859191587 653420540 /nfs/dbraw/zinc/42/05/40/653420540.db2.gz QPWAUYZUSQZILS-UHFFFAOYSA-N 1 2 382.302 2.008 20 0 GEADLO O=C(c1c(Br)nc2n1CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000837308567 653425816 /nfs/dbraw/zinc/42/58/16/653425816.db2.gz MKYYBPZEHOBXSX-UHFFFAOYSA-N 1 2 390.285 2.339 20 0 GEADLO CC[N@H+](Cc1ccc(C(=O)OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000876533630 653434468 /nfs/dbraw/zinc/43/44/68/653434468.db2.gz JRFRDMYCEQMYTK-GFCCVEGCSA-N 1 2 390.299 2.245 20 0 GEADLO CC[N@@H+](Cc1ccc(C(=O)OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000876533630 653434471 /nfs/dbraw/zinc/43/44/71/653434471.db2.gz JRFRDMYCEQMYTK-GFCCVEGCSA-N 1 2 390.299 2.245 20 0 GEADLO O=C(NCCCO)C1CC[NH+](Cc2nc(Cl)ccc2Br)CC1 ZINC000876578047 653436644 /nfs/dbraw/zinc/43/66/44/653436644.db2.gz ZIWWGJFXNZUVHW-UHFFFAOYSA-N 1 2 390.709 2.208 20 0 GEADLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000876582335 653437045 /nfs/dbraw/zinc/43/70/45/653437045.db2.gz WQPOGBCQIRRTJQ-CYBMUJFWSA-N 1 2 382.262 2.202 20 0 GEADLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000876582335 653437050 /nfs/dbraw/zinc/43/70/50/653437050.db2.gz WQPOGBCQIRRTJQ-CYBMUJFWSA-N 1 2 382.262 2.202 20 0 GEADLO O=C(/C=C\c1ccc(Br)o1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000778333077 653438477 /nfs/dbraw/zinc/43/84/77/653438477.db2.gz XCOASZJJHJNKIF-HKLWWIALSA-N 1 2 399.285 2.005 20 0 GEADLO CSc1ccc(/C=C/C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)s1 ZINC000859310930 653439488 /nfs/dbraw/zinc/43/94/88/653439488.db2.gz XGQNRJNKJXTNGQ-HWKANZROSA-N 1 2 388.580 2.108 20 0 GEADLO COc1cc(Br)c(C[NH2+]C2(CO)COC(C)(C)OC2)cc1OC ZINC000812838119 653444655 /nfs/dbraw/zinc/44/46/55/653444655.db2.gz LIYYKZOPGJYKTI-UHFFFAOYSA-N 1 2 390.274 2.070 20 0 GEADLO Nc1c(Cl)cc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1Cl ZINC000778507501 653446100 /nfs/dbraw/zinc/44/61/00/653446100.db2.gz AXIFUMHXJKWDDO-CYBMUJFWSA-N 1 2 388.295 2.139 20 0 GEADLO COc1cc(/C=C/C(=O)NCCc2cn(C)c[nH+]2)cc(Br)c1O ZINC000837717261 653464412 /nfs/dbraw/zinc/46/44/12/653464412.db2.gz NVWHZNGMHVVIOU-ONEGZZNKSA-N 1 2 380.242 2.269 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCc2cc(F)cc(Br)c2C1 ZINC000877112896 653466524 /nfs/dbraw/zinc/46/65/24/653466524.db2.gz URVFXTPHLPXWRZ-UHFFFAOYSA-N 1 2 379.233 2.156 20 0 GEADLO NS(=O)(=O)c1cccc(C[NH2+][C@@H](CCO)c2ccccc2Br)c1 ZINC000877190920 653471639 /nfs/dbraw/zinc/47/16/39/653471639.db2.gz FBTOPJIXVSKWBN-INIZCTEOSA-N 1 2 399.310 2.310 20 0 GEADLO CNc1cc(I)ccc1C(=O)OCCc1c[nH+]cn1C ZINC000837950101 653478372 /nfs/dbraw/zinc/47/83/72/653478372.db2.gz HQFVVIUBVVFODY-UHFFFAOYSA-N 1 2 385.205 2.466 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000779567407 653494533 /nfs/dbraw/zinc/49/45/33/653494533.db2.gz PDCRNVPFKPLMCA-SMDDNHRTSA-N 1 2 380.242 2.107 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1sc(-c2cccs2)nc1C ZINC000779567419 653495338 /nfs/dbraw/zinc/49/53/38/653495338.db2.gz PMQAZQDLOKONOJ-NSHDSACASA-N 1 2 376.463 2.348 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000779568123 653500094 /nfs/dbraw/zinc/50/00/94/653500094.db2.gz YJCQTZCLKNDILI-AWEZNQCLSA-N 1 2 391.225 2.099 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1Br ZINC000877466960 653521568 /nfs/dbraw/zinc/52/15/68/653521568.db2.gz UOHQLWQKWCXUCY-SLEUVZQESA-N 1 2 381.270 2.322 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1Br ZINC000877466960 653521578 /nfs/dbraw/zinc/52/15/78/653521578.db2.gz UOHQLWQKWCXUCY-SLEUVZQESA-N 1 2 381.270 2.322 20 0 GEADLO COC(=O)c1ccc(C[NH2+][C@H](C)c2nnnn2C2CC2)cc1Br ZINC000877472960 653525036 /nfs/dbraw/zinc/52/50/36/653525036.db2.gz BSUGIQYDAPSHOI-SECBINFHSA-N 1 2 380.246 2.408 20 0 GEADLO O=C(COC(=O)c1cncc(Cl)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000838244125 653614512 /nfs/dbraw/zinc/61/45/12/653614512.db2.gz BCMDBJDQXODVHT-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc(Br)nn2C)C1 ZINC000877685624 653616535 /nfs/dbraw/zinc/61/65/35/653616535.db2.gz CVAXMGOWLPCWOJ-MRXNPFEDSA-N 1 2 388.306 2.363 20 0 GEADLO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cc(Br)nn2C)C1 ZINC000877685624 653616537 /nfs/dbraw/zinc/61/65/37/653616537.db2.gz CVAXMGOWLPCWOJ-MRXNPFEDSA-N 1 2 388.306 2.363 20 0 GEADLO CO[C@H]1C[C@@H]2C[N@H+](Cc3c(Br)cnn3C)Cc3cccnc3N2C1 ZINC000877687718 653616762 /nfs/dbraw/zinc/61/67/62/653616762.db2.gz LFXOPRBGZVYSDN-KGLIPLIRSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3c(Br)cnn3C)Cc3cccnc3N2C1 ZINC000877687718 653616766 /nfs/dbraw/zinc/61/67/66/653616766.db2.gz LFXOPRBGZVYSDN-KGLIPLIRSA-N 1 2 392.301 2.187 20 0 GEADLO CC(C)(C)n1cc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c(Br)n1 ZINC000780458148 653626121 /nfs/dbraw/zinc/62/61/21/653626121.db2.gz MGQJCHLLUKZKEY-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO CC(C)(C)n1cc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c(Br)n1 ZINC000780458148 653626123 /nfs/dbraw/zinc/62/61/23/653626123.db2.gz MGQJCHLLUKZKEY-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO C[C@@H]1[C@H](C)N(C(=O)c2cc(Br)c3ncc(C=O)n3c2)CC[N@H+]1C ZINC000860564797 653630925 /nfs/dbraw/zinc/63/09/25/653630925.db2.gz VXGHQWCIBWPDPW-MNOVXSKESA-N 1 2 379.258 2.074 20 0 GEADLO C[C@@H]1[C@H](C)N(C(=O)c2cc(Br)c3ncc(C=O)n3c2)CC[N@@H+]1C ZINC000860564797 653630927 /nfs/dbraw/zinc/63/09/27/653630927.db2.gz VXGHQWCIBWPDPW-MNOVXSKESA-N 1 2 379.258 2.074 20 0 GEADLO CN(C)[S@@](C)(=O)=NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000878245274 653632675 /nfs/dbraw/zinc/63/26/75/653632675.db2.gz ZMPWFUSXYKGKPA-QFIPXVFZSA-N 1 2 390.347 2.461 20 0 GEADLO C[N@H+](C[C@H]1CC2(CO1)CCOCC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000878341972 653635079 /nfs/dbraw/zinc/63/50/79/653635079.db2.gz MBWIIZHIBPMXLX-CVEARBPZSA-N 1 2 397.313 2.493 20 0 GEADLO C[N@@H+](C[C@H]1CC2(CO1)CCOCC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000878341972 653635080 /nfs/dbraw/zinc/63/50/80/653635080.db2.gz MBWIIZHIBPMXLX-CVEARBPZSA-N 1 2 397.313 2.493 20 0 GEADLO C[N@H+](C[C@@H]1CC2(CO1)CCOCC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000878341975 653635093 /nfs/dbraw/zinc/63/50/93/653635093.db2.gz MBWIIZHIBPMXLX-JKSUJKDBSA-N 1 2 397.313 2.493 20 0 GEADLO C[N@@H+](C[C@@H]1CC2(CO1)CCOCC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000878341975 653635094 /nfs/dbraw/zinc/63/50/94/653635094.db2.gz MBWIIZHIBPMXLX-JKSUJKDBSA-N 1 2 397.313 2.493 20 0 GEADLO C[C@@](O)(C1CC[NH+](C[C@H](O)c2cc(Br)no2)CC1)C(F)(F)F ZINC000878439784 653637432 /nfs/dbraw/zinc/63/74/32/653637432.db2.gz WQKPFEXCCCMKGH-JOYOIKCWSA-N 1 2 387.196 2.496 20 0 GEADLO C[N@@H+](Cc1nc2c(c(=O)[nH]1)COCC2)C[C@@H](O)c1ccccc1Br ZINC000878690508 653644643 /nfs/dbraw/zinc/64/46/43/653644643.db2.gz CWAIOIPMBYVZPA-OAHLLOKOSA-N 1 2 394.269 2.183 20 0 GEADLO C[N@H+](Cc1nc2c(c(=O)[nH]1)COCC2)C[C@@H](O)c1ccccc1Br ZINC000878690508 653644647 /nfs/dbraw/zinc/64/46/47/653644647.db2.gz CWAIOIPMBYVZPA-OAHLLOKOSA-N 1 2 394.269 2.183 20 0 GEADLO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H](O)c2cc(Br)no2)s1 ZINC000878727508 653645785 /nfs/dbraw/zinc/64/57/85/653645785.db2.gz ZOPYSGSWRUUHOH-RQJHMYQMSA-N 1 2 376.232 2.064 20 0 GEADLO CN(C)[S@@](C)(=O)=NC(=O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCCCC1 ZINC000878860278 653649667 /nfs/dbraw/zinc/64/96/67/653649667.db2.gz DWTBOBNIVQZLKC-VWLOTQADSA-N 1 2 375.535 2.112 20 0 GEADLO Brc1cccnc1C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000878874356 653650124 /nfs/dbraw/zinc/65/01/24/653650124.db2.gz VXEQXKAFTXIMID-CQSZACIVSA-N 1 2 386.359 2.484 20 0 GEADLO Brc1cccnc1C[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000878874356 653650127 /nfs/dbraw/zinc/65/01/27/653650127.db2.gz VXEQXKAFTXIMID-CQSZACIVSA-N 1 2 386.359 2.484 20 0 GEADLO Cn1ccnc1[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)CO ZINC000878875497 653650248 /nfs/dbraw/zinc/65/02/48/653650248.db2.gz ILZXCPCJZIHMNV-OAHLLOKOSA-N 1 2 385.917 2.197 20 0 GEADLO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3nc4ccc(Br)cc4o3)C2)C1 ZINC000879490193 653670296 /nfs/dbraw/zinc/67/02/96/653670296.db2.gz OOYVNNHWCLFNEM-MRXNPFEDSA-N 1 2 394.225 2.484 20 0 GEADLO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3nc4ccc(Br)cc4o3)C2)C1 ZINC000879490193 653670298 /nfs/dbraw/zinc/67/02/98/653670298.db2.gz OOYVNNHWCLFNEM-MRXNPFEDSA-N 1 2 394.225 2.484 20 0 GEADLO COCCNc1nn(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c(=S)s1 ZINC000840108741 653674755 /nfs/dbraw/zinc/67/47/55/653674755.db2.gz LCZGRLJCECSFLO-GFCCVEGCSA-N 1 2 387.575 2.303 20 0 GEADLO COCCNc1nn(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c(=S)s1 ZINC000840108741 653674757 /nfs/dbraw/zinc/67/47/57/653674757.db2.gz LCZGRLJCECSFLO-GFCCVEGCSA-N 1 2 387.575 2.303 20 0 GEADLO COCC[N@@H+]1CCN(C(=O)c2cc(Br)cc(C=O)c2)C(C)(C)C1 ZINC000862134768 653676728 /nfs/dbraw/zinc/67/67/28/653676728.db2.gz QZJHBLPZUUWTGA-UHFFFAOYSA-N 1 2 383.286 2.444 20 0 GEADLO COCC[N@H+]1CCN(C(=O)c2cc(Br)cc(C=O)c2)C(C)(C)C1 ZINC000862134768 653676730 /nfs/dbraw/zinc/67/67/30/653676730.db2.gz QZJHBLPZUUWTGA-UHFFFAOYSA-N 1 2 383.286 2.444 20 0 GEADLO CO[C@H]1CCC[N@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000783603680 653681095 /nfs/dbraw/zinc/68/10/95/653681095.db2.gz VVEGTZLOLNDWOV-KBPBESRZSA-N 1 2 375.922 2.205 20 0 GEADLO CO[C@H]1CCC[N@@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000783603680 653681098 /nfs/dbraw/zinc/68/10/98/653681098.db2.gz VVEGTZLOLNDWOV-KBPBESRZSA-N 1 2 375.922 2.205 20 0 GEADLO CO[C@@H]1CCC[N@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000783603685 653681152 /nfs/dbraw/zinc/68/11/52/653681152.db2.gz VVEGTZLOLNDWOV-UONOGXRCSA-N 1 2 375.922 2.205 20 0 GEADLO CO[C@@H]1CCC[N@@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000783603685 653681156 /nfs/dbraw/zinc/68/11/56/653681156.db2.gz VVEGTZLOLNDWOV-UONOGXRCSA-N 1 2 375.922 2.205 20 0 GEADLO COC(=O)c1ccc(CNc2cc(NC[C@H](C)O)[nH+]cn2)c(Br)c1 ZINC000840293187 653681749 /nfs/dbraw/zinc/68/17/49/653681749.db2.gz VEZAVNYSBONBKM-JTQLQIEISA-N 1 2 395.257 2.431 20 0 GEADLO COC(=O)c1ccc(CNc2cc(NC[C@H](C)O)nc[nH+]2)c(Br)c1 ZINC000840293187 653681751 /nfs/dbraw/zinc/68/17/51/653681751.db2.gz VEZAVNYSBONBKM-JTQLQIEISA-N 1 2 395.257 2.431 20 0 GEADLO Cn1cc(C[N@@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)c(Br)n1 ZINC000862326620 653683164 /nfs/dbraw/zinc/68/31/64/653683164.db2.gz RCNMCUSGLVRMAQ-CYBMUJFWSA-N 1 2 390.285 2.216 20 0 GEADLO Cn1cc(C[N@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)c(Br)n1 ZINC000862326620 653683165 /nfs/dbraw/zinc/68/31/65/653683165.db2.gz RCNMCUSGLVRMAQ-CYBMUJFWSA-N 1 2 390.285 2.216 20 0 GEADLO CSc1ccc(/C=C\C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)s1 ZINC000862641781 653690623 /nfs/dbraw/zinc/69/06/23/653690623.db2.gz DCHQRFHEOXDMRO-SUZKBHRPSA-N 1 2 382.551 2.215 20 0 GEADLO CSc1ccc(/C=C\C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)s1 ZINC000862641781 653690627 /nfs/dbraw/zinc/69/06/27/653690627.db2.gz DCHQRFHEOXDMRO-SUZKBHRPSA-N 1 2 382.551 2.215 20 0 GEADLO C[C@H](C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1)S(C)(=O)=O ZINC000880026061 653692711 /nfs/dbraw/zinc/69/27/11/653692711.db2.gz DDSGOFIPRJIPTO-UTUOFQBUSA-N 1 2 388.452 2.055 20 0 GEADLO C[C@H](C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1)S(C)(=O)=O ZINC000880026061 653692714 /nfs/dbraw/zinc/69/27/14/653692714.db2.gz DDSGOFIPRJIPTO-UTUOFQBUSA-N 1 2 388.452 2.055 20 0 GEADLO C[C@H]1C[N@H+](CC(=O)NC(=O)NCc2cccs2)CC[C@@H](C(F)(F)F)O1 ZINC000880056120 653695442 /nfs/dbraw/zinc/69/54/42/653695442.db2.gz KXKISQNNNGZVEJ-JQWIXIFHSA-N 1 2 379.404 2.116 20 0 GEADLO C[C@H]1C[N@@H+](CC(=O)NC(=O)NCc2cccs2)CC[C@@H](C(F)(F)F)O1 ZINC000880056120 653695447 /nfs/dbraw/zinc/69/54/47/653695447.db2.gz KXKISQNNNGZVEJ-JQWIXIFHSA-N 1 2 379.404 2.116 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccc(Cl)c(Cl)c1 ZINC000863038520 653700926 /nfs/dbraw/zinc/70/09/26/653700926.db2.gz WFQLGLWKUPZJNJ-RYUDHWBXSA-N 1 2 389.308 2.269 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1c(Br)cncc1Br)C1CC1 ZINC000840965537 653704056 /nfs/dbraw/zinc/70/40/56/653704056.db2.gz FRRRUZBWBFVZMZ-UHFFFAOYSA-N 1 2 398.120 2.273 20 0 GEADLO C[C@H](NC(=O)C[N@H+](CC(N)=O)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000880393972 653705196 /nfs/dbraw/zinc/70/51/96/653705196.db2.gz PQVKXVAFFYHXID-NSHDSACASA-N 1 2 388.295 2.137 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](CC(N)=O)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000880393972 653705197 /nfs/dbraw/zinc/70/51/97/653705197.db2.gz PQVKXVAFFYHXID-NSHDSACASA-N 1 2 388.295 2.137 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880532741 653707560 /nfs/dbraw/zinc/70/75/60/653707560.db2.gz CWNRCXSVYCBFHH-CXAGYDPISA-N 1 2 394.313 2.008 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880532741 653707563 /nfs/dbraw/zinc/70/75/63/653707563.db2.gz CWNRCXSVYCBFHH-CXAGYDPISA-N 1 2 394.313 2.008 20 0 GEADLO O=C(NCCC[NH+]1CCOCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841375817 653714144 /nfs/dbraw/zinc/71/41/44/653714144.db2.gz MMHZXMOLNGMIPL-UHFFFAOYSA-N 1 2 395.253 2.008 20 0 GEADLO COC(=O)c1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c(Br)c1 ZINC000785853503 653716080 /nfs/dbraw/zinc/71/60/80/653716080.db2.gz SEFRCYWSUJFWCZ-NSHDSACASA-N 1 2 392.253 2.311 20 0 GEADLO CC[C@@H](C(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC)c1ccc(Br)cc1 ZINC000863907149 653722056 /nfs/dbraw/zinc/72/20/56/653722056.db2.gz BQXJAZZTIDZYJF-HUUCEWRRSA-N 1 2 394.269 2.497 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(F)cc1Cl ZINC000841508344 653723161 /nfs/dbraw/zinc/72/31/61/653723161.db2.gz AJUZMMJKEGCQLE-QWRGUYRKSA-N 1 2 392.880 2.369 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(F)cc1Cl ZINC000841508344 653723165 /nfs/dbraw/zinc/72/31/65/653723165.db2.gz AJUZMMJKEGCQLE-QWRGUYRKSA-N 1 2 392.880 2.369 20 0 GEADLO CCOCCOCC[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000787237185 653735869 /nfs/dbraw/zinc/73/58/69/653735869.db2.gz PIEZPVYBGZQXIH-MRXNPFEDSA-N 1 2 389.905 2.111 20 0 GEADLO CCOCCOCC[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000787237185 653735871 /nfs/dbraw/zinc/73/58/71/653735871.db2.gz PIEZPVYBGZQXIH-MRXNPFEDSA-N 1 2 389.905 2.111 20 0 GEADLO CC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787875284 653745172 /nfs/dbraw/zinc/74/51/72/653745172.db2.gz WEFGPHIHAVYSJH-LBPRGKRZSA-N 1 2 397.317 2.054 20 0 GEADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1OCCO[C@H]1C(F)(F)F ZINC000864977708 653750235 /nfs/dbraw/zinc/75/02/35/653750235.db2.gz WHYDXGDMQIQJTD-NWDGAFQWSA-N 1 2 379.404 2.414 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000788152859 653750762 /nfs/dbraw/zinc/75/07/62/653750762.db2.gz CBCOAKLNPIEPEL-DOMZBBRYSA-N 1 2 394.269 2.182 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000865156686 653755368 /nfs/dbraw/zinc/75/53/68/653755368.db2.gz NHAYCSPQHWSDPY-STOZHHMFSA-N 1 2 394.313 2.032 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000865156687 653755593 /nfs/dbraw/zinc/75/55/93/653755593.db2.gz NHAYCSPQHWSDPY-XGBNDESESA-N 1 2 394.313 2.032 20 0 GEADLO CN(C)c1nn(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c(=S)s1 ZINC000842635248 653761386 /nfs/dbraw/zinc/76/13/86/653761386.db2.gz MJCQATHSPCTLFU-AWEZNQCLSA-N 1 2 377.539 2.336 20 0 GEADLO CN(C)c1nn(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c(=S)s1 ZINC000842635248 653761389 /nfs/dbraw/zinc/76/13/89/653761389.db2.gz MJCQATHSPCTLFU-AWEZNQCLSA-N 1 2 377.539 2.336 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)NCCNc2cccc[nH+]2)c(C)c1Cl ZINC000788649054 653761815 /nfs/dbraw/zinc/76/18/15/653761815.db2.gz GYNVAYVGJFEWTJ-UHFFFAOYSA-N 1 2 389.886 2.282 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3nc(Br)ccc3F)C2=O)n(C)n1 ZINC000788662801 653762461 /nfs/dbraw/zinc/76/24/61/653762461.db2.gz DPRKLHMJACFQMU-CMPLNLGQSA-N 1 2 396.264 2.481 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3nc(Br)ccc3F)C2=O)n(C)n1 ZINC000788662806 653762492 /nfs/dbraw/zinc/76/24/92/653762492.db2.gz DPRKLHMJACFQMU-PWSUYJOCSA-N 1 2 396.264 2.481 20 0 GEADLO Cc1ccnc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1Br ZINC000865482503 653766584 /nfs/dbraw/zinc/76/65/84/653766584.db2.gz YKSXXKBZORMVAP-WCQYABFASA-N 1 2 378.274 2.170 20 0 GEADLO Fc1ccc(CCNC(=S)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000789206628 653770140 /nfs/dbraw/zinc/77/01/40/653770140.db2.gz JONHQFOWNONZDN-GOSISDBHSA-N 1 2 383.558 2.040 20 0 GEADLO NS(=O)(=O)c1cc(Br)ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000865637668 653770817 /nfs/dbraw/zinc/77/08/17/653770817.db2.gz GCPDQSZCEWHERI-LBPRGKRZSA-N 1 2 397.298 2.182 20 0 GEADLO O=S(=O)(/C=C/c1ccccc1Br)N1CC[NH2+]C[C@@H]1C(F)F ZINC000842865373 653771014 /nfs/dbraw/zinc/77/10/14/653771014.db2.gz VGARIFHYRYUJMO-FZKGZDJFSA-N 1 2 381.242 2.289 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cscc1Br ZINC000842964211 653775106 /nfs/dbraw/zinc/77/51/06/653775106.db2.gz KRGKEDYVNWTJNP-WDEREUQCSA-N 1 2 378.288 2.403 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cscc1Br ZINC000842964211 653775108 /nfs/dbraw/zinc/77/51/08/653775108.db2.gz KRGKEDYVNWTJNP-WDEREUQCSA-N 1 2 378.288 2.403 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)Cc1cscc1Br ZINC000842963532 653775115 /nfs/dbraw/zinc/77/51/15/653775115.db2.gz JGJVVEPNLUJLGI-YPMHNXCESA-N 1 2 392.315 2.332 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)Cc1cscc1Br ZINC000842963532 653775117 /nfs/dbraw/zinc/77/51/17/653775117.db2.gz JGJVVEPNLUJLGI-YPMHNXCESA-N 1 2 392.315 2.332 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)Cc1cccc(Br)c1 ZINC000842965689 653775229 /nfs/dbraw/zinc/77/52/29/653775229.db2.gz JKMDVLWMFVNLSY-CJNGLKHVSA-N 1 2 386.286 2.271 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)Cc1cccc(Br)c1 ZINC000842965689 653775231 /nfs/dbraw/zinc/77/52/31/653775231.db2.gz JKMDVLWMFVNLSY-CJNGLKHVSA-N 1 2 386.286 2.271 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)/C=C\c1ccc(Br)o1 ZINC000842965468 653775325 /nfs/dbraw/zinc/77/53/25/653775325.db2.gz OLPIAMIFGXKCEO-QMDMKJMKSA-N 1 2 388.258 2.334 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)/C=C\c1ccc(Br)o1 ZINC000842965468 653775328 /nfs/dbraw/zinc/77/53/28/653775328.db2.gz OLPIAMIFGXKCEO-QMDMKJMKSA-N 1 2 388.258 2.334 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)CSc1ccc(F)c(F)c1 ZINC000842967391 653775560 /nfs/dbraw/zinc/77/55/60/653775560.db2.gz SYBLKAOQQOSWII-STQMWFEESA-N 1 2 375.437 2.336 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)CSc1ccc(F)c(F)c1 ZINC000842967391 653775562 /nfs/dbraw/zinc/77/55/62/653775562.db2.gz SYBLKAOQQOSWII-STQMWFEESA-N 1 2 375.437 2.336 20 0 GEADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]1c1ccccc1I ZINC000865862446 653777663 /nfs/dbraw/zinc/77/76/63/653777663.db2.gz HKAXTXHZXJPJCG-UONOGXRCSA-N 1 2 397.216 2.411 20 0 GEADLO CC(C)Sc1ccccc1NC(=O)C(=O)Nc1nc(Cl)cc(NN)[nH+]1 ZINC000789601175 653778799 /nfs/dbraw/zinc/77/87/99/653778799.db2.gz WMPYLUOPTIQDJI-UHFFFAOYSA-N 1 2 380.861 2.493 20 0 GEADLO F[C@]1(c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)CC[NH2+]C1 ZINC000843228671 653782167 /nfs/dbraw/zinc/78/21/67/653782167.db2.gz LDSLMQIYLUXAAK-CQSZACIVSA-N 1 2 379.193 2.442 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000866282933 653789672 /nfs/dbraw/zinc/78/96/72/653789672.db2.gz PSNKNZXDRGYEMN-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO COc1cc(CS(=O)(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)sn1 ZINC000882614125 653790805 /nfs/dbraw/zinc/79/08/05/653790805.db2.gz KORHNVIBNQUBKC-AWEZNQCLSA-N 1 2 381.523 2.360 20 0 GEADLO Cc1ccc(Br)cc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000790459781 653792577 /nfs/dbraw/zinc/79/25/77/653792577.db2.gz YRYYMUUEVHRDPC-UHFFFAOYSA-N 1 2 378.288 2.188 20 0 GEADLO O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1nc[nH]c1Br ZINC000866409763 653793762 /nfs/dbraw/zinc/79/37/62/653793762.db2.gz SISIHUBMHGVVLS-CYBMUJFWSA-N 1 2 399.314 2.288 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)Cc2noc3ccc(Br)cc32)CCO1 ZINC000821338615 653795215 /nfs/dbraw/zinc/79/52/15/653795215.db2.gz LAJYSEBVOHCFFW-LLVKDONJSA-N 1 2 383.242 2.397 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)Cc2noc3ccc(Br)cc32)CCO1 ZINC000821338615 653795216 /nfs/dbraw/zinc/79/52/16/653795216.db2.gz LAJYSEBVOHCFFW-LLVKDONJSA-N 1 2 383.242 2.397 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)c1nc(Br)ccc1Br ZINC000790874115 653799865 /nfs/dbraw/zinc/79/98/65/653799865.db2.gz MPLDXACMBFQLEI-UHFFFAOYSA-N 1 2 388.063 2.313 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000844138726 653802231 /nfs/dbraw/zinc/80/22/31/653802231.db2.gz JNGCCLVUMXLPAH-CABCVRRESA-N 1 2 392.253 2.033 20 0 GEADLO O=S(=O)(CCOCC(F)(F)F)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882837234 653812840 /nfs/dbraw/zinc/81/28/40/653812840.db2.gz CBEUFIBACNPWPW-CQSZACIVSA-N 1 2 377.388 2.123 20 0 GEADLO O=C1C=C(c2ccc(Br)cc2)CN1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000844709099 653815523 /nfs/dbraw/zinc/81/55/23/653815523.db2.gz QCKWWQSVZFEFHI-INIZCTEOSA-N 1 2 387.224 2.334 20 0 GEADLO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000844709099 653815524 /nfs/dbraw/zinc/81/55/24/653815524.db2.gz QCKWWQSVZFEFHI-INIZCTEOSA-N 1 2 387.224 2.334 20 0 GEADLO Cn1cc(C[NH2+][C@H](CCO)c2ccccc2F)c(I)n1 ZINC000895083680 653816268 /nfs/dbraw/zinc/81/62/68/653816268.db2.gz BNVWILUAKKFDLY-CYBMUJFWSA-N 1 2 389.212 2.377 20 0 GEADLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1nc(Br)ccc1F ZINC000791646584 653820261 /nfs/dbraw/zinc/82/02/61/653820261.db2.gz MJBIKHRQLBINIQ-QWHCGFSZSA-N 1 2 386.265 2.356 20 0 GEADLO Cn1ncc(I)c1C[NH2+][C@@H]1CCc2ccccc2NC1=O ZINC000895183811 653821810 /nfs/dbraw/zinc/82/18/10/653821810.db2.gz PGDFVBVWQJPZEU-CYBMUJFWSA-N 1 2 396.232 2.068 20 0 GEADLO C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C1N=NC(=O)N1C ZINC000895183038 653821943 /nfs/dbraw/zinc/82/19/43/653821943.db2.gz GSCFITBFOQUPBB-VIFPVBQESA-N 1 2 383.246 2.295 20 0 GEADLO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@H]1CCc2[nH+]ccn2C1 ZINC000883027250 653822975 /nfs/dbraw/zinc/82/29/75/653822975.db2.gz VBAVQOHKRBAGON-VIFPVBQESA-N 1 2 391.225 2.178 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000895403759 653832918 /nfs/dbraw/zinc/83/29/18/653832918.db2.gz WOGZNWGCZSNEAN-XQQFMLRXSA-N 1 2 382.473 2.186 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000895403759 653832920 /nfs/dbraw/zinc/83/29/20/653832920.db2.gz WOGZNWGCZSNEAN-XQQFMLRXSA-N 1 2 382.473 2.186 20 0 GEADLO Cn1ccn2c(C[NH2+][C@H]3CCc4sc(Br)cc43)nnc2c1=O ZINC000883335867 653836210 /nfs/dbraw/zinc/83/62/10/653836210.db2.gz BWTXZVXYHRQGPM-VIFPVBQESA-N 1 2 380.271 2.029 20 0 GEADLO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000883380105 653838038 /nfs/dbraw/zinc/83/80/38/653838038.db2.gz ZLERILOFLJOEHT-UMSPYCQHSA-N 1 2 375.281 2.239 20 0 GEADLO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000883379543 653838051 /nfs/dbraw/zinc/83/80/51/653838051.db2.gz FPSNEOSBKUQTSZ-OTCDBFHCSA-N 1 2 375.281 2.239 20 0 GEADLO CCn1nc(C)c(C[NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)n1 ZINC000883387460 653838361 /nfs/dbraw/zinc/83/83/61/653838361.db2.gz YGBWJSCKZYGWCO-CQSZACIVSA-N 1 2 378.274 2.412 20 0 GEADLO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3c(Br)cnn3C)C2)cc1 ZINC000895496196 653838494 /nfs/dbraw/zinc/83/84/94/653838494.db2.gz OATZQBKRYASKEM-CYBMUJFWSA-N 1 2 379.258 2.474 20 0 GEADLO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)N=S2(=O)CCCC2)[C@H]1c1cccs1 ZINC000866863454 653840407 /nfs/dbraw/zinc/84/04/07/653840407.db2.gz ACJSXZDGOKAFRN-ZFWWWQNUSA-N 1 2 391.584 2.227 20 0 GEADLO C[N@H+]1CCC[C@@H](CNS(=O)(=O)N=S2(=O)CCCC2)[C@H]1c1cccs1 ZINC000866863454 653840408 /nfs/dbraw/zinc/84/04/08/653840408.db2.gz ACJSXZDGOKAFRN-ZFWWWQNUSA-N 1 2 391.584 2.227 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000866882204 653842416 /nfs/dbraw/zinc/84/24/16/653842416.db2.gz JXKVWUKDJCVHPO-OAHLLOKOSA-N 1 2 382.511 2.240 20 0 GEADLO CN1C(=S)N=NC1Cc1csc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000895625459 653843867 /nfs/dbraw/zinc/84/38/67/653843867.db2.gz GOTYSWMTDYHSLJ-LBPRGKRZSA-N 1 2 378.527 2.107 20 0 GEADLO CN1C(=S)N=NC1Cc1csc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000895625459 653843870 /nfs/dbraw/zinc/84/38/70/653843870.db2.gz GOTYSWMTDYHSLJ-LBPRGKRZSA-N 1 2 378.527 2.107 20 0 GEADLO CC(C)n1ncc(-c2nc(Cc3c[nH+]cn3C)no2)c1I ZINC000866955722 653854827 /nfs/dbraw/zinc/85/48/27/653854827.db2.gz YUSYNYKFWOKJFI-UHFFFAOYSA-N 1 2 398.208 2.443 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCCc1sccc1Br ZINC000883951503 653857861 /nfs/dbraw/zinc/85/78/61/653857861.db2.gz FCHCSOVVXUVNDL-UHFFFAOYSA-N 1 2 376.320 2.027 20 0 GEADLO COCC1C[NH+](Cc2cc(I)c(OC)c(OC)c2)C1 ZINC000895971233 653859308 /nfs/dbraw/zinc/85/93/08/653859308.db2.gz JFOMXYKXGHVBNP-UHFFFAOYSA-N 1 2 377.222 2.387 20 0 GEADLO OC1CC[NH+](Cc2cn(CCOc3cccc(Br)c3)nn2)CC1 ZINC000883990832 653859520 /nfs/dbraw/zinc/85/95/20/653859520.db2.gz HUBXXGZUOGRSPM-UHFFFAOYSA-N 1 2 381.274 2.076 20 0 GEADLO Brc1c[nH]c(C[NH2+]C[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)n1 ZINC000895979246 653859760 /nfs/dbraw/zinc/85/97/60/653859760.db2.gz FRILCBOQKUMLAZ-LBPRGKRZSA-N 1 2 377.242 2.390 20 0 GEADLO COc1ccc(Cn2cc(C[NH+]3CCC(O)CC3)nn2)c(Br)c1 ZINC000883991281 653859735 /nfs/dbraw/zinc/85/97/35/653859735.db2.gz YBIGXVKWNKVOPG-UHFFFAOYSA-N 1 2 381.274 2.054 20 0 GEADLO OC1CC[NH+](Cc2cn(CCOc3cc(F)cc(Br)c3)nn2)CC1 ZINC000883992268 653860105 /nfs/dbraw/zinc/86/01/05/653860105.db2.gz ISUHYRUFPOQHHP-UHFFFAOYSA-N 1 2 399.264 2.215 20 0 GEADLO COC(=O)N1CC([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000793018737 653862675 /nfs/dbraw/zinc/86/26/75/653862675.db2.gz FKWYXGRWTAMLCD-UHFFFAOYSA-N 1 2 382.148 2.110 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000896187697 653867949 /nfs/dbraw/zinc/86/79/49/653867949.db2.gz RYMHQNYXMNMVHM-JQWIXIFHSA-N 1 2 379.448 2.324 20 0 GEADLO COc1ccc(C(=O)OCCc2c[nH+]cn2C)cc1I ZINC000793248761 653872140 /nfs/dbraw/zinc/87/21/40/653872140.db2.gz DKEMONDFPKZIPZ-UHFFFAOYSA-N 1 2 386.189 2.433 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@H]1CCn2c[nH+]cc2C1 ZINC000823628512 653874721 /nfs/dbraw/zinc/87/47/21/653874721.db2.gz VPBZREFGPATSKY-GWCFXTLKSA-N 1 2 389.253 2.203 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000823628135 653874798 /nfs/dbraw/zinc/87/47/98/653874798.db2.gz SQEJAPZYUONAOC-BXUZGUMPSA-N 1 2 389.253 2.203 20 0 GEADLO COc1cccc(Br)c1CS(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000867081585 653876467 /nfs/dbraw/zinc/87/64/67/653876467.db2.gz MYQXLROMALUMCM-UHFFFAOYSA-N 1 2 386.271 2.041 20 0 GEADLO Cn1ccc(C2CC[NH+](Cc3cn(C)nc3I)CC2)n1 ZINC000896495364 653881610 /nfs/dbraw/zinc/88/16/10/653881610.db2.gz PGORRRMUBNKXLV-UHFFFAOYSA-N 1 2 385.253 2.138 20 0 GEADLO C[C@H](NC(=O)[C@H]1CCc2cc(Br)ccc21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896532178 653882430 /nfs/dbraw/zinc/88/24/30/653882430.db2.gz AIOKOTIUXJYUTH-ZLIFDBKOSA-N 1 2 380.330 2.229 20 0 GEADLO C[C@H](NC(=O)[C@H]1CCc2cc(Br)ccc21)[C@@H]1CN(C)CC[N@H+]1C ZINC000896532178 653882435 /nfs/dbraw/zinc/88/24/35/653882435.db2.gz AIOKOTIUXJYUTH-ZLIFDBKOSA-N 1 2 380.330 2.229 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896526840 653882576 /nfs/dbraw/zinc/88/25/76/653882576.db2.gz LPVNFZAZLYUKIE-CKNFYHOISA-N 1 2 394.357 2.477 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896526840 653882577 /nfs/dbraw/zinc/88/25/77/653882577.db2.gz LPVNFZAZLYUKIE-CKNFYHOISA-N 1 2 394.357 2.477 20 0 GEADLO C[C@H](NC(=O)[C@@H]1CCc2cc(Br)ccc21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896532177 653882643 /nfs/dbraw/zinc/88/26/43/653882643.db2.gz AIOKOTIUXJYUTH-VUCTXSBTSA-N 1 2 380.330 2.229 20 0 GEADLO C[C@H](NC(=O)[C@@H]1CCc2cc(Br)ccc21)[C@@H]1CN(C)CC[N@H+]1C ZINC000896532177 653882644 /nfs/dbraw/zinc/88/26/44/653882644.db2.gz AIOKOTIUXJYUTH-VUCTXSBTSA-N 1 2 380.330 2.229 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1Cl ZINC000896792229 653895094 /nfs/dbraw/zinc/89/50/94/653895094.db2.gz JLFUCOIHERVCEN-HOTGVXAUSA-N 1 2 377.897 2.451 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1Cl ZINC000896792229 653895096 /nfs/dbraw/zinc/89/50/96/653895096.db2.gz JLFUCOIHERVCEN-HOTGVXAUSA-N 1 2 377.897 2.451 20 0 GEADLO COC(=O)c1cc(NC(=O)/C=C\C[NH+]2CCOCC2)ccc1Br ZINC000867213866 653895830 /nfs/dbraw/zinc/89/58/30/653895830.db2.gz UJBFAFVCHFBCTG-IHWYPQMZSA-N 1 2 383.242 2.063 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000896884378 653898373 /nfs/dbraw/zinc/89/83/73/653898373.db2.gz KSZWYJKMGUKLHL-UHFFFAOYSA-N 1 2 385.209 2.066 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000896884378 653898376 /nfs/dbraw/zinc/89/83/76/653898376.db2.gz KSZWYJKMGUKLHL-UHFFFAOYSA-N 1 2 385.209 2.066 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000884968997 653900812 /nfs/dbraw/zinc/90/08/12/653900812.db2.gz SEDUDWSDRSXCHW-KRWDZBQOSA-N 1 2 378.270 2.235 20 0 GEADLO C[N@@H+](Cc1cc(O)ccc1Br)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824565437 653901768 /nfs/dbraw/zinc/90/17/68/653901768.db2.gz VMMQMLFRLCYLAD-CYBMUJFWSA-N 1 2 389.290 2.472 20 0 GEADLO C[N@H+](Cc1cc(O)ccc1Br)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824565437 653901772 /nfs/dbraw/zinc/90/17/72/653901772.db2.gz VMMQMLFRLCYLAD-CYBMUJFWSA-N 1 2 389.290 2.472 20 0 GEADLO Cn1cc(C[N@@H+]2CCc3c(Cl)ccc(Br)c3C2)c(=O)n(C)c1=O ZINC000897012045 653903636 /nfs/dbraw/zinc/90/36/36/653903636.db2.gz YWJLEGZGBRMPCB-UHFFFAOYSA-N 1 2 398.688 2.058 20 0 GEADLO Cn1cc(C[N@H+]2CCc3c(Cl)ccc(Br)c3C2)c(=O)n(C)c1=O ZINC000897012045 653903639 /nfs/dbraw/zinc/90/36/39/653903639.db2.gz YWJLEGZGBRMPCB-UHFFFAOYSA-N 1 2 398.688 2.058 20 0 GEADLO Cc1cnc(Cl)c(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000885069089 653909929 /nfs/dbraw/zinc/90/99/29/653909929.db2.gz ONYBBLOGERYVEU-UHFFFAOYSA-N 1 2 375.922 2.022 20 0 GEADLO CN(C)C(=O)CN(CC(F)(F)F)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000846821419 653910657 /nfs/dbraw/zinc/91/06/57/653910657.db2.gz PNVKXQAAHDVKRS-AWEZNQCLSA-N 1 2 379.810 2.422 20 0 GEADLO Cc1cnc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(I)c1 ZINC000897219840 653911128 /nfs/dbraw/zinc/91/11/28/653911128.db2.gz OWKROEAFOIBPGY-KBPBESRZSA-N 1 2 387.265 2.030 20 0 GEADLO Cc1cnc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(I)c1 ZINC000897219840 653911131 /nfs/dbraw/zinc/91/11/31/653911131.db2.gz OWKROEAFOIBPGY-KBPBESRZSA-N 1 2 387.265 2.030 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(Br)c2nccnc2c1 ZINC000824949362 653913227 /nfs/dbraw/zinc/91/32/27/653913227.db2.gz KEPUFMMUJSYHDP-NEPJUHHUSA-N 1 2 393.285 2.231 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(Br)c2nccnc2c1 ZINC000824949362 653913229 /nfs/dbraw/zinc/91/32/29/653913229.db2.gz KEPUFMMUJSYHDP-NEPJUHHUSA-N 1 2 393.285 2.231 20 0 GEADLO Cc1sc(Br)nc1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179560 653919731 /nfs/dbraw/zinc/91/97/31/653919731.db2.gz WYLDZLAFSSXEFG-LPEHRKFASA-N 1 2 376.320 2.442 20 0 GEADLO Cc1sc(Br)nc1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179560 653919734 /nfs/dbraw/zinc/91/97/34/653919734.db2.gz WYLDZLAFSSXEFG-LPEHRKFASA-N 1 2 376.320 2.442 20 0 GEADLO Cn1cc(C[NH2+]Cc2cnn(CC3CCC3)c2)c(I)n1 ZINC000897429346 653921218 /nfs/dbraw/zinc/92/12/18/653921218.db2.gz FHTGKZWVPWQROT-UHFFFAOYSA-N 1 2 385.253 2.311 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(C(F)F)cc2F)CC1 ZINC000847477809 653929978 /nfs/dbraw/zinc/92/99/78/653929978.db2.gz CIZQFMPXWZSYJF-UHFFFAOYSA-N 1 2 378.416 2.002 20 0 GEADLO CCCCn1c(SCCS(=O)(=O)N(C)C)nnc1[C@@H](CC)[NH+](C)C ZINC000795185572 653937784 /nfs/dbraw/zinc/93/77/84/653937784.db2.gz PRUAVZGBPGWFRC-CYBMUJFWSA-N 1 2 377.580 2.074 20 0 GEADLO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000867488332 653939694 /nfs/dbraw/zinc/93/96/94/653939694.db2.gz HXVXPOQONPMYPL-ZDUSSCGKSA-N 1 2 394.324 2.264 20 0 GEADLO O=S(=O)(c1cc(Cl)cnc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000867488331 653939748 /nfs/dbraw/zinc/93/97/48/653939748.db2.gz HXVXPOQONPMYPL-CYBMUJFWSA-N 1 2 394.324 2.264 20 0 GEADLO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897978963 653948074 /nfs/dbraw/zinc/94/80/74/653948074.db2.gz VEEZUSGMRZGVCO-NSHDSACASA-N 1 2 384.665 2.192 20 0 GEADLO COc1nn(C)cc1C[NH2+]Cc1ccc(F)cc1I ZINC000898026111 653950591 /nfs/dbraw/zinc/95/05/91/653950591.db2.gz WCRFJGBZBGMIFB-UHFFFAOYSA-N 1 2 375.185 2.462 20 0 GEADLO Cn1cc(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c(Br)n1 ZINC000898288844 653961361 /nfs/dbraw/zinc/96/13/61/653961361.db2.gz OWZQMHUJVZLGKU-UHFFFAOYSA-N 1 2 399.314 2.377 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(-c3cccnc3)cc2Cl)C1 ZINC000867633640 653965522 /nfs/dbraw/zinc/96/55/22/653965522.db2.gz YJONYBOFTGSSBF-OAHLLOKOSA-N 1 2 382.869 2.441 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(-c3cccnc3)cc2Cl)C1 ZINC000867633640 653965525 /nfs/dbraw/zinc/96/55/25/653965525.db2.gz YJONYBOFTGSSBF-OAHLLOKOSA-N 1 2 382.869 2.441 20 0 GEADLO O=C(NCc1ncc(Br)cn1)N1CC[NH+](Cc2cccs2)CC1 ZINC000898398675 653968351 /nfs/dbraw/zinc/96/83/51/653968351.db2.gz JEOKVZLVSZQVQK-UHFFFAOYSA-N 1 2 396.314 2.328 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(Br)cc(F)c2O)CC[N@@H+]1CC(C)(C)O ZINC000867654257 653969326 /nfs/dbraw/zinc/96/93/26/653969326.db2.gz IANFEGAVPDGFSL-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(Br)cc(F)c2O)CC[N@H+]1CC(C)(C)O ZINC000867654257 653969329 /nfs/dbraw/zinc/96/93/29/653969329.db2.gz IANFEGAVPDGFSL-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000898422625 653969425 /nfs/dbraw/zinc/96/94/25/653969425.db2.gz LGEJOQBARPWPOJ-WWGRRREGSA-N 1 2 389.974 2.389 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000898422625 653969429 /nfs/dbraw/zinc/96/94/29/653969429.db2.gz LGEJOQBARPWPOJ-WWGRRREGSA-N 1 2 389.974 2.389 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C2(C(F)(F)F)CCCCC2)CC1 ZINC000827047921 653972116 /nfs/dbraw/zinc/97/21/16/653972116.db2.gz KJNNLAJMPNKUOB-UHFFFAOYSA-N 1 2 384.464 2.124 20 0 GEADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccccc1I ZINC000898484718 653973012 /nfs/dbraw/zinc/97/30/12/653973012.db2.gz VYBRJIRPTANBDT-NSHDSACASA-N 1 2 376.213 2.455 20 0 GEADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccccc1I ZINC000898484718 653973017 /nfs/dbraw/zinc/97/30/17/653973017.db2.gz VYBRJIRPTANBDT-NSHDSACASA-N 1 2 376.213 2.455 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2ccc(C(F)(F)Br)nc2)CC1 ZINC000827157848 653978120 /nfs/dbraw/zinc/97/81/20/653978120.db2.gz JNURZPXVEKCPKH-UHFFFAOYSA-N 1 2 392.244 2.320 20 0 GEADLO CSCc1n[nH]c(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)n1 ZINC000886326859 653978722 /nfs/dbraw/zinc/97/87/22/653978722.db2.gz VKPLVGLWRYSBML-UHFFFAOYSA-N 1 2 380.949 2.363 20 0 GEADLO CSCc1nnc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)[nH]1 ZINC000886326859 653978726 /nfs/dbraw/zinc/97/87/26/653978726.db2.gz VKPLVGLWRYSBML-UHFFFAOYSA-N 1 2 380.949 2.363 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)[C@H](C)C1 ZINC000796070532 653984220 /nfs/dbraw/zinc/98/42/20/653984220.db2.gz NEXGUBCWZQYYGG-SNVBAGLBSA-N 1 2 395.294 2.312 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc(F)c2OC)[C@H](C)C1 ZINC000796070532 653984229 /nfs/dbraw/zinc/98/42/29/653984229.db2.gz NEXGUBCWZQYYGG-SNVBAGLBSA-N 1 2 395.294 2.312 20 0 GEADLO CC(=O)N[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)c1cccc(Br)c1 ZINC000898810627 653987376 /nfs/dbraw/zinc/98/73/76/653987376.db2.gz MUGWSAZNQRAKMW-ZFWWWQNUSA-N 1 2 377.242 2.084 20 0 GEADLO CC[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000886470208 653988232 /nfs/dbraw/zinc/98/82/32/653988232.db2.gz DIFMNYZCUCAFGS-SNVBAGLBSA-N 1 2 382.711 2.212 20 0 GEADLO CC[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000886470208 653988234 /nfs/dbraw/zinc/98/82/34/653988234.db2.gz DIFMNYZCUCAFGS-SNVBAGLBSA-N 1 2 382.711 2.212 20 0 GEADLO CC[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000886468790 653988404 /nfs/dbraw/zinc/98/84/04/653988404.db2.gz QVUSKLRYUBAQNX-LBPRGKRZSA-N 1 2 389.905 2.022 20 0 GEADLO CC[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000886468790 653988410 /nfs/dbraw/zinc/98/84/10/653988410.db2.gz QVUSKLRYUBAQNX-LBPRGKRZSA-N 1 2 389.905 2.022 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)COc1ccc(Br)cc1Cl ZINC000898881495 653990690 /nfs/dbraw/zinc/99/06/90/653990690.db2.gz MDWHSQGNKMBRCM-NSHDSACASA-N 1 2 388.649 2.065 20 0 GEADLO Cc1c2cc(C(=O)N[C@@H](CO)c3c[nH+]cn3C)[nH]c2ccc1Br ZINC000898891071 653990983 /nfs/dbraw/zinc/99/09/83/653990983.db2.gz GEXTXZRBPAVHFJ-AWEZNQCLSA-N 1 2 377.242 2.436 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000898895145 653991342 /nfs/dbraw/zinc/99/13/42/653991342.db2.gz NPCIKFWZHQBVNL-AWEZNQCLSA-N 1 2 394.269 2.385 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000898893477 653991420 /nfs/dbraw/zinc/99/14/20/653991420.db2.gz CVWNFBDLENTCQS-UKRRQHHQSA-N 1 2 383.235 2.070 20 0 GEADLO CC(C)(CNC(=O)c1cc2c(cc1Br)NC(=O)CO2)n1cc[nH+]c1 ZINC000898905618 653991767 /nfs/dbraw/zinc/99/17/67/653991767.db2.gz BMSUQARZXBFAHF-UHFFFAOYSA-N 1 2 393.241 2.142 20 0 GEADLO CN(C)C(=O)COc1ccccc1C[N@@H+]1CCn2ncc(Br)c2C1 ZINC000827446550 653992289 /nfs/dbraw/zinc/99/22/89/653992289.db2.gz QLPFVLUEQGPMAY-UHFFFAOYSA-N 1 2 393.285 2.128 20 0 GEADLO CN(C)C(=O)COc1ccccc1C[N@H+]1CCn2ncc(Br)c2C1 ZINC000827446550 653992290 /nfs/dbraw/zinc/99/22/90/653992290.db2.gz QLPFVLUEQGPMAY-UHFFFAOYSA-N 1 2 393.285 2.128 20 0 GEADLO CC(C)([NH2+]Cc1ncc(I)s1)C(=O)N1CCCC1 ZINC000796360587 653996195 /nfs/dbraw/zinc/99/61/95/653996195.db2.gz BMGBFSGYRCKLBH-UHFFFAOYSA-N 1 2 379.267 2.238 20 0 GEADLO OCCOCC1(O)CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000886740751 653997023 /nfs/dbraw/zinc/99/70/23/653997023.db2.gz HWIXJJBLDBAJHW-UHFFFAOYSA-N 1 2 378.694 2.438 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1ccc(Br)cc1Cl ZINC000899055974 653997175 /nfs/dbraw/zinc/99/71/75/653997175.db2.gz XGNZPCFIBCWJQE-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1ccc(Br)cc1Cl ZINC000899055974 653997178 /nfs/dbraw/zinc/99/71/78/653997178.db2.gz XGNZPCFIBCWJQE-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)COc2ccc(Br)cn2)C1 ZINC000867844315 653997290 /nfs/dbraw/zinc/99/72/90/653997290.db2.gz YWVVUDMMRVYFOC-GFCCVEGCSA-N 1 2 379.258 2.363 20 0 GEADLO COc1cc(Cl)c(Cl)cc1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899059838 653997530 /nfs/dbraw/zinc/99/75/30/653997530.db2.gz TYKIGDYSMZFZNO-UHFFFAOYSA-N 1 2 375.252 2.181 20 0 GEADLO COc1cc(Cl)c(Cl)cc1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899059838 653997533 /nfs/dbraw/zinc/99/75/33/653997533.db2.gz TYKIGDYSMZFZNO-UHFFFAOYSA-N 1 2 375.252 2.181 20 0 GEADLO Cc1c(Br)ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1F ZINC000899062326 653998002 /nfs/dbraw/zinc/99/80/02/653998002.db2.gz QMIIGTFUMZHFBN-UHFFFAOYSA-N 1 2 387.249 2.075 20 0 GEADLO Cc1c(Br)ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1F ZINC000899062326 653998006 /nfs/dbraw/zinc/99/80/06/653998006.db2.gz QMIIGTFUMZHFBN-UHFFFAOYSA-N 1 2 387.249 2.075 20 0 GEADLO Cc1cc(Br)c(F)c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000899065061 653998420 /nfs/dbraw/zinc/99/84/20/653998420.db2.gz KZIMHOCNGCGAGS-UHFFFAOYSA-N 1 2 387.249 2.075 20 0 GEADLO Cc1cc(Br)c(F)c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC000899065061 653998426 /nfs/dbraw/zinc/99/84/26/653998426.db2.gz KZIMHOCNGCGAGS-UHFFFAOYSA-N 1 2 387.249 2.075 20 0 GEADLO O=C(NC1(c2ncc(Br)cn2)CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000886839124 654004417 /nfs/dbraw/zinc/00/44/17/654004417.db2.gz VCUGCOQYNZXSGC-NSHDSACASA-N 1 2 376.258 2.194 20 0 GEADLO COC(=O)N[C@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000886848568 654005607 /nfs/dbraw/zinc/00/56/07/654005607.db2.gz HVOXIMOOJFDJBE-JSGCOSHPSA-N 1 2 382.258 2.133 20 0 GEADLO COC(=O)N[C@H]1CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000886848568 654005612 /nfs/dbraw/zinc/00/56/12/654005612.db2.gz HVOXIMOOJFDJBE-JSGCOSHPSA-N 1 2 382.258 2.133 20 0 GEADLO CCn1cc(C[NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)nn1 ZINC000849321797 654012735 /nfs/dbraw/zinc/01/27/35/654012735.db2.gz BFNHZBXPUWCZMT-OAHLLOKOSA-N 1 2 378.274 2.264 20 0 GEADLO O=C(c1cc(=O)[nH]cc1Br)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000827935218 654013621 /nfs/dbraw/zinc/01/36/21/654013621.db2.gz LWWWDTJOBMRRAK-UHFFFAOYSA-N 1 2 392.253 2.213 20 0 GEADLO COc1cccc([C@H]2CN(C(=O)c3cc(=O)[nH]cc3Br)CC[NH2+]2)c1 ZINC000827944090 654013868 /nfs/dbraw/zinc/01/38/68/654013868.db2.gz WLJADWLKAOJXNJ-OAHLLOKOSA-N 1 2 392.253 2.345 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000868082177 654017449 /nfs/dbraw/zinc/01/74/49/654017449.db2.gz ATIDSPSBKMCXMP-DDGIKZQJSA-N 1 2 385.233 2.026 20 0 GEADLO CO[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C(F)(F)F ZINC000868251559 654025240 /nfs/dbraw/zinc/02/52/40/654025240.db2.gz TWCSTTVTKGVMRN-LBPRGKRZSA-N 1 2 378.420 2.011 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000849407582 654025509 /nfs/dbraw/zinc/02/55/09/654025509.db2.gz KWYBAXTWIAYXPC-NSHDSACASA-N 1 2 394.324 2.262 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000849407582 654025513 /nfs/dbraw/zinc/02/55/13/654025513.db2.gz KWYBAXTWIAYXPC-NSHDSACASA-N 1 2 394.324 2.262 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000849407581 654025595 /nfs/dbraw/zinc/02/55/95/654025595.db2.gz KWYBAXTWIAYXPC-LLVKDONJSA-N 1 2 394.324 2.262 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000849407581 654025597 /nfs/dbraw/zinc/02/55/97/654025597.db2.gz KWYBAXTWIAYXPC-LLVKDONJSA-N 1 2 394.324 2.262 20 0 GEADLO Cc1[nH]nc(Br)c1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000828234320 654029945 /nfs/dbraw/zinc/02/99/45/654029945.db2.gz PMPKIMFNZRCLLQ-UHFFFAOYSA-N 1 2 396.314 2.359 20 0 GEADLO CC1=C(Br)CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000797628337 654037554 /nfs/dbraw/zinc/03/75/54/654037554.db2.gz NQUKEXAXIHLWBU-UHFFFAOYSA-N 1 2 398.305 2.122 20 0 GEADLO O=S(=O)(c1ccccc1S(=O)(=O)C(F)(F)F)N1CCc2c[nH+]ccc21 ZINC000798226845 654055459 /nfs/dbraw/zinc/05/54/59/654055459.db2.gz GZNOTHLNABWNJD-UHFFFAOYSA-N 1 2 392.380 2.127 20 0 GEADLO O=C(c1ccc(Br)[nH]c1=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000828981055 654056818 /nfs/dbraw/zinc/05/68/18/654056818.db2.gz SEJBAFAIOKHIID-ZDUSSCGKSA-N 1 2 380.217 2.476 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2c(Br)cnn2C)C1 ZINC000868878054 654060426 /nfs/dbraw/zinc/06/04/26/654060426.db2.gz ZLSZPXUJZCEGQS-NSHDSACASA-N 1 2 381.278 2.005 20 0 GEADLO CN1CC[NH+](Cc2cccc(NC(=O)CN3CSCCSC3)c2)CC1 ZINC000900364814 654061180 /nfs/dbraw/zinc/06/11/80/654061180.db2.gz LEBJGYCNNWYJCA-UHFFFAOYSA-N 1 2 380.583 2.070 20 0 GEADLO C[C@@]1(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1(Br)Br ZINC000849968764 654063654 /nfs/dbraw/zinc/06/36/54/654063654.db2.gz NKJDDCPHWPDBSJ-UMNHJUIQSA-N 1 2 397.107 2.289 20 0 GEADLO C[C@@]1(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1(Br)Br ZINC000849968764 654063656 /nfs/dbraw/zinc/06/36/56/654063656.db2.gz NKJDDCPHWPDBSJ-UMNHJUIQSA-N 1 2 397.107 2.289 20 0 GEADLO COc1ccc(CNC(=O)/C=C(\C)C[NH+]2CCOCC2)cc1Br ZINC000900498563 654067179 /nfs/dbraw/zinc/06/71/79/654067179.db2.gz LUYLKKYLNQJDLG-UKTHLTGXSA-N 1 2 383.286 2.352 20 0 GEADLO COC(=O)N1CC([NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000850198193 654068584 /nfs/dbraw/zinc/06/85/84/654068584.db2.gz HJKOSHRKUMBXAE-UHFFFAOYSA-N 1 2 380.613 2.485 20 0 GEADLO C[C@H](CNC(=O)Cc1c[nH]c2ccc(Br)cc12)[NH+]1CCN(C)CC1 ZINC000900694219 654076853 /nfs/dbraw/zinc/07/68/53/654076853.db2.gz AWUPFNRCQBKPKU-CYBMUJFWSA-N 1 2 393.329 2.225 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)NCc1ccc(Br)c(F)c1F ZINC000869437267 654096564 /nfs/dbraw/zinc/09/65/64/654096564.db2.gz UCYDXDKRUXAFSY-UPHRSURJSA-N 1 2 375.213 2.232 20 0 GEADLO O=C(N[C@H](CO)c1ccc(Br)cc1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000916508498 654097629 /nfs/dbraw/zinc/09/76/29/654097629.db2.gz HDQJTVOUXDNGIL-SJORKVTESA-N 1 2 397.313 2.242 20 0 GEADLO O=C(N[C@H](CO)c1ccc(Br)cc1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000916508498 654097634 /nfs/dbraw/zinc/09/76/34/654097634.db2.gz HDQJTVOUXDNGIL-SJORKVTESA-N 1 2 397.313 2.242 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1)c1ccc(Br)cc1 ZINC000830488126 654121185 /nfs/dbraw/zinc/12/11/85/654121185.db2.gz SLEUVMSREYOQAU-IUODEOHRSA-N 1 2 398.301 2.399 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1)c1ccc(Br)cc1 ZINC000830488126 654121190 /nfs/dbraw/zinc/12/11/90/654121190.db2.gz SLEUVMSREYOQAU-IUODEOHRSA-N 1 2 398.301 2.399 20 0 GEADLO CC(=O)N[C@H](C(=O)OCCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000869975946 654133562 /nfs/dbraw/zinc/13/35/62/654133562.db2.gz ABUZZRSWTZOMAO-HNNXBMFYSA-N 1 2 380.242 2.456 20 0 GEADLO O=C([O-])[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000901619731 654135078 /nfs/dbraw/zinc/13/50/78/654135078.db2.gz WVEBQGDJEHZVQY-CVEARBPZSA-N 1 2 383.286 2.418 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)Cc2ccccc2I)CCO1 ZINC000800186933 654135788 /nfs/dbraw/zinc/13/57/88/654135788.db2.gz HJLSEAPGYYOHLG-LBPRGKRZSA-N 1 2 389.233 2.098 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)Cc2ccccc2I)CCO1 ZINC000800186933 654135793 /nfs/dbraw/zinc/13/57/93/654135793.db2.gz HJLSEAPGYYOHLG-LBPRGKRZSA-N 1 2 389.233 2.098 20 0 GEADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1c[nH]nc1Cl ZINC000830750537 654140018 /nfs/dbraw/zinc/14/00/18/654140018.db2.gz MNDBFBRGDLAIHX-UHFFFAOYSA-N 1 2 383.905 2.385 20 0 GEADLO O=C(COc1ccsc1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000800304337 654140155 /nfs/dbraw/zinc/14/01/55/654140155.db2.gz LYHZGDAETDLGPI-UHFFFAOYSA-N 1 2 380.491 2.076 20 0 GEADLO Cc1ccc(Br)c(C)c1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870058798 654141521 /nfs/dbraw/zinc/14/15/21/654141521.db2.gz ASOLYTFOCAJOAG-OAHLLOKOSA-N 1 2 397.313 2.239 20 0 GEADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870075090 654142582 /nfs/dbraw/zinc/14/25/82/654142582.db2.gz OXBOUWBAZYQCRE-HOCLYGCPSA-N 1 2 384.929 2.380 20 0 GEADLO CC[NH+]1CCN(CC(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)CC1 ZINC000889648406 654155869 /nfs/dbraw/zinc/15/58/69/654155869.db2.gz VGGRBTGMNKKAKO-UHFFFAOYSA-N 1 2 384.253 2.041 20 0 GEADLO CC(=O)N[C@@H](C(=O)O[C@@H]1CC[N@H+](CCF)C1)c1cccc(Br)c1 ZINC000870329315 654163665 /nfs/dbraw/zinc/16/36/65/654163665.db2.gz IJHFBCROOPXHIT-HUUCEWRRSA-N 1 2 387.249 2.213 20 0 GEADLO CC(=O)N[C@@H](C(=O)O[C@@H]1CC[N@@H+](CCF)C1)c1cccc(Br)c1 ZINC000870329315 654163672 /nfs/dbraw/zinc/16/36/72/654163672.db2.gz IJHFBCROOPXHIT-HUUCEWRRSA-N 1 2 387.249 2.213 20 0 GEADLO Cc1ccc(-n2ccn(C[N@@H+]3CC[C@H](CS(N)(=O)=O)C3)c2=S)cc1C ZINC000902523849 654181699 /nfs/dbraw/zinc/18/16/99/654181699.db2.gz NJJTZIWRJPBBEO-HNNXBMFYSA-N 1 2 380.539 2.193 20 0 GEADLO Cc1ccc(-n2ccn(C[N@H+]3CC[C@H](CS(N)(=O)=O)C3)c2=S)cc1C ZINC000902523849 654181702 /nfs/dbraw/zinc/18/17/02/654181702.db2.gz NJJTZIWRJPBBEO-HNNXBMFYSA-N 1 2 380.539 2.193 20 0 GEADLO CCn1c[nH+]c2c1CCN(CN1C(=O)C(=O)c3cc(Br)ccc31)C2 ZINC000902541616 654182440 /nfs/dbraw/zinc/18/24/40/654182440.db2.gz IMODGGIHHXXJBG-UHFFFAOYSA-N 1 2 389.253 2.211 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)n1 ZINC000919757535 654191824 /nfs/dbraw/zinc/19/18/24/654191824.db2.gz VMBOAFIICBRFMO-QWRGUYRKSA-N 1 2 378.420 2.381 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1Cl ZINC000920011139 654199610 /nfs/dbraw/zinc/19/96/10/654199610.db2.gz SNAKLEVFURBSRY-DGCLKSJQSA-N 1 2 380.341 2.214 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1Cl ZINC000920011139 654199617 /nfs/dbraw/zinc/19/96/17/654199617.db2.gz SNAKLEVFURBSRY-DGCLKSJQSA-N 1 2 380.341 2.214 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)NCc2nc(C[NH+](C)C)cs2)n1 ZINC000902885133 654202222 /nfs/dbraw/zinc/20/22/22/654202222.db2.gz VOZHJYULMUMXMF-UHFFFAOYSA-N 1 2 383.499 2.089 20 0 GEADLO C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000870942662 654211250 /nfs/dbraw/zinc/21/12/50/654211250.db2.gz RISJNWGEYODWEZ-RDTXWAMCSA-N 1 2 392.297 2.318 20 0 GEADLO Cc1n[nH]c(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1Br ZINC000870991355 654215210 /nfs/dbraw/zinc/21/52/10/654215210.db2.gz FDSLCRBAEOPGBL-UHFFFAOYSA-N 1 2 396.314 2.359 20 0 GEADLO C[C@H]([NH2+]Cc1nc(CN(C)C)cs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903226671 654228821 /nfs/dbraw/zinc/22/88/21/654228821.db2.gz PEQCNBXZKYGKJR-ZDUSSCGKSA-N 1 2 382.555 2.306 20 0 GEADLO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000903229376 654229952 /nfs/dbraw/zinc/22/99/52/654229952.db2.gz HCDGUCTUQDUUDJ-LLVKDONJSA-N 1 2 382.935 2.447 20 0 GEADLO C[C@H](C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)S(C)(=O)=O ZINC000852337521 654233914 /nfs/dbraw/zinc/23/39/14/654233914.db2.gz SJQXZFKJWJKRIT-BBBLOLIVSA-N 1 2 389.153 2.247 20 0 GEADLO C[C@H](C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)S(C)(=O)=O ZINC000852337521 654233917 /nfs/dbraw/zinc/23/39/17/654233917.db2.gz SJQXZFKJWJKRIT-BBBLOLIVSA-N 1 2 389.153 2.247 20 0 GEADLO C[C@](CO)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc(Br)c1 ZINC000890631750 654234519 /nfs/dbraw/zinc/23/45/19/654234519.db2.gz HRUIETVAKCNQEQ-SJKOYZFVSA-N 1 2 378.270 2.232 20 0 GEADLO C[C@H](COC1CCCC1)CS(=O)(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921093247 654235765 /nfs/dbraw/zinc/23/57/65/654235765.db2.gz MWLIDFLYJCADAC-CYBMUJFWSA-N 1 2 375.560 2.219 20 0 GEADLO COc1cc(C)c(S(=O)(=O)NCc2nc(C[NH+](C)C)cs2)cc1OC ZINC000921105765 654236101 /nfs/dbraw/zinc/23/61/01/654236101.db2.gz WSVJAEAUFQMFKY-UHFFFAOYSA-N 1 2 385.511 2.009 20 0 GEADLO Cn1nc(C2CC2)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000903498140 654242078 /nfs/dbraw/zinc/24/20/78/654242078.db2.gz ZUGXWBWSBOLHRC-INIZCTEOSA-N 1 2 380.901 2.286 20 0 GEADLO Cc1nc(C)c(C[NH+]2CCC(n3nncc3I)CC2)o1 ZINC000852533293 654247145 /nfs/dbraw/zinc/24/71/45/654247145.db2.gz XDDQHJFYMATLLR-UHFFFAOYSA-N 1 2 387.225 2.325 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1Br ZINC000921322113 654247715 /nfs/dbraw/zinc/24/77/15/654247715.db2.gz NRPRSXYYVKJQST-CHWSQXEVSA-N 1 2 391.356 2.307 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1ccccc1Br ZINC000921322113 654247718 /nfs/dbraw/zinc/24/77/18/654247718.db2.gz NRPRSXYYVKJQST-CHWSQXEVSA-N 1 2 391.356 2.307 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921322506 654247888 /nfs/dbraw/zinc/24/78/88/654247888.db2.gz TZVYCDGZUZJVHT-STQMWFEESA-N 1 2 376.931 2.207 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921322506 654247894 /nfs/dbraw/zinc/24/78/94/654247894.db2.gz TZVYCDGZUZJVHT-STQMWFEESA-N 1 2 376.931 2.207 20 0 GEADLO Clc1ncsc1Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000871652842 654249947 /nfs/dbraw/zinc/24/99/47/654249947.db2.gz HAILHKZXLZSDLK-CYBMUJFWSA-N 1 2 376.873 2.405 20 0 GEADLO Clc1ncsc1Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000871652842 654249952 /nfs/dbraw/zinc/24/99/52/654249952.db2.gz HAILHKZXLZSDLK-CYBMUJFWSA-N 1 2 376.873 2.405 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852652762 654252747 /nfs/dbraw/zinc/25/27/47/654252747.db2.gz DSEDJFIOGNZDIN-DOMZBBRYSA-N 1 2 388.281 2.309 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852652762 654252753 /nfs/dbraw/zinc/25/27/53/654252753.db2.gz DSEDJFIOGNZDIN-DOMZBBRYSA-N 1 2 388.281 2.309 20 0 GEADLO COc1ccc(CC(N)=[NH+]OCc2cn(C)nc2Br)cc1OC ZINC000871729248 654254116 /nfs/dbraw/zinc/25/41/16/654254116.db2.gz HGGVUUIPSWAEKJ-UHFFFAOYSA-N 1 2 383.246 2.441 20 0 GEADLO NC(=O)COc1ccc(C[NH+]2CC(O)(c3ccc(Br)cc3)C2)cc1 ZINC000852727619 654256214 /nfs/dbraw/zinc/25/62/14/654256214.db2.gz NTSSKAMPMDYJKT-UHFFFAOYSA-N 1 2 391.265 2.017 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)n(C)c1 ZINC000903628640 654269646 /nfs/dbraw/zinc/26/96/46/654269646.db2.gz RFYWHKVOWDTERZ-UHFFFAOYSA-N 1 2 385.873 2.328 20 0 GEADLO C[C@@H]1CN(c2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cn2)C[C@@H](C)O1 ZINC000921538004 654279024 /nfs/dbraw/zinc/27/90/24/654279024.db2.gz JDUBYWVBYZNOEY-VXGBXAGGSA-N 1 2 380.290 2.471 20 0 GEADLO O=C([C@@H](Cc1ccccc1)[NH2+]Cc1nc(Br)c[nH]1)N1CCCC1 ZINC000921631177 654295698 /nfs/dbraw/zinc/29/56/98/654295698.db2.gz JJOTWFNZFPVJMO-CQSZACIVSA-N 1 2 377.286 2.496 20 0 GEADLO CCc1nn(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)c(=S)s1 ZINC000853494697 654299174 /nfs/dbraw/zinc/29/91/74/654299174.db2.gz LMNAWKLWNDGNEQ-ZDUSSCGKSA-N 1 2 383.587 2.259 20 0 GEADLO O=C(NCC1C[NH+](C[C@H](O)c2ccccc2Br)C1)C(F)(F)F ZINC000871991432 654303985 /nfs/dbraw/zinc/30/39/85/654303985.db2.gz BPQSUTOQHYWYGE-LBPRGKRZSA-N 1 2 381.192 2.093 20 0 GEADLO O=C(N1CCC[C@H](C2CC[NH+](Cn3ccsc3=O)CC2)C1)C(F)(F)F ZINC000853572926 654305334 /nfs/dbraw/zinc/30/53/34/654305334.db2.gz SYUVQVWGCYUBAO-ZDUSSCGKSA-N 1 2 377.432 2.380 20 0 GEADLO FC(F)(F)Cn1c(=S)n(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)nc1N1CCOCC1 ZINC000853576267 654305829 /nfs/dbraw/zinc/30/58/29/654305829.db2.gz OLZMQLKPFZXIRN-VXGBXAGGSA-N 1 2 377.436 2.112 20 0 GEADLO FC(F)(F)Cn1c(=S)n(C[N@H+]2CC[C@@H]3C[C@@H]3C2)nc1N1CCOCC1 ZINC000853576267 654305833 /nfs/dbraw/zinc/30/58/33/654305833.db2.gz OLZMQLKPFZXIRN-VXGBXAGGSA-N 1 2 377.436 2.112 20 0 GEADLO Cc1cc(Br)cc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000891670220 654305874 /nfs/dbraw/zinc/30/58/74/654305874.db2.gz IQJXYHMHTNYMQS-UHFFFAOYSA-N 1 2 388.273 2.156 20 0 GEADLO O=C1OCCN1C1CC[NH+](Cn2c(=O)oc3cc(Br)ccc32)CC1 ZINC000853608331 654309298 /nfs/dbraw/zinc/30/92/98/654309298.db2.gz OSTFSJNARVSIAW-UHFFFAOYSA-N 1 2 396.241 2.231 20 0 GEADLO Cc1ccnc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c1Br ZINC000804444542 654310815 /nfs/dbraw/zinc/31/08/15/654310815.db2.gz YTJNFMWZRGEGGM-UHFFFAOYSA-N 1 2 376.320 2.073 20 0 GEADLO C[NH+]1CCN(c2ccc(NC[C@H](O)CC(C)(C)O)cc2Br)CC1 ZINC000872211346 654317058 /nfs/dbraw/zinc/31/70/58/654317058.db2.gz AUMQQCGUWVFWEC-CQSZACIVSA-N 1 2 386.334 2.135 20 0 GEADLO O=C(NCC1SCCS1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000853718395 654317687 /nfs/dbraw/zinc/31/76/87/654317687.db2.gz HNHVRRBTXQWHBX-MRXNPFEDSA-N 1 2 381.567 2.035 20 0 GEADLO Cc1cc(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cnc1F ZINC000892046509 654326524 /nfs/dbraw/zinc/32/65/24/654326524.db2.gz RXQUVSWXIIDOOY-UHFFFAOYSA-N 1 2 383.411 2.317 20 0 GEADLO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ncc(Br)cc2O)CC1 ZINC000892055733 654327050 /nfs/dbraw/zinc/32/70/50/654327050.db2.gz VJNFVYZNZTUCJJ-HNNXBMFYSA-N 1 2 381.274 2.229 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000905144910 654334065 /nfs/dbraw/zinc/33/40/65/654334065.db2.gz VVMXJYFVIGNUJY-CYBMUJFWSA-N 1 2 379.262 2.372 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000905144912 654334085 /nfs/dbraw/zinc/33/40/85/654334085.db2.gz VVMXJYFVIGNUJY-ZDUSSCGKSA-N 1 2 379.262 2.372 20 0 GEADLO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1nc(Br)cs1 ZINC000834673356 654341987 /nfs/dbraw/zinc/34/19/87/654341987.db2.gz QEACKBKJPBNLEW-NXEZZACHSA-N 1 2 384.303 2.485 20 0 GEADLO CC(C)OC[C@H]([NH3+])c1nc(CNC(=O)c2ccc(Br)cc2)no1 ZINC000854156344 654342691 /nfs/dbraw/zinc/34/26/91/654342691.db2.gz KVXRUNWMQUBARL-LBPRGKRZSA-N 1 2 383.246 2.187 20 0 GEADLO Cn1cc(C[NH+]2CCN(c3ncc(Br)c4cccnc43)CC2)cn1 ZINC000892391429 654344209 /nfs/dbraw/zinc/34/42/09/654344209.db2.gz ZYDXOIBHQMIZMK-UHFFFAOYSA-N 1 2 387.285 2.448 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C[C@@H]1Cc1ccccc1 ZINC000805096003 654348879 /nfs/dbraw/zinc/34/88/79/654348879.db2.gz DPZSGUXRMNPHMS-AWEZNQCLSA-N 1 2 383.876 2.422 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C[C@@H]1Cc1ccccc1 ZINC000805096003 654348885 /nfs/dbraw/zinc/34/88/85/654348885.db2.gz DPZSGUXRMNPHMS-AWEZNQCLSA-N 1 2 383.876 2.422 20 0 GEADLO Cc1ccc(/C=C\C(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)c(Br)c1 ZINC000854353829 654354808 /nfs/dbraw/zinc/35/48/08/654354808.db2.gz HAKYQOWIDUIORP-KJPDOMRESA-N 1 2 378.314 2.277 20 0 GEADLO Cc1ccc(/C=C\C(=O)NC[C@H]2CN3CC[N@H+]2CCC3)c(Br)c1 ZINC000854353829 654354812 /nfs/dbraw/zinc/35/48/12/654354812.db2.gz HAKYQOWIDUIORP-KJPDOMRESA-N 1 2 378.314 2.277 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cnn(C(C)(C)C)c1Br ZINC000854425227 654360381 /nfs/dbraw/zinc/36/03/81/654360381.db2.gz ZKRYHFIGTMEMCT-STQMWFEESA-N 1 2 399.333 2.336 20 0 GEADLO O=S(=O)(c1ccc(F)c(C(F)F)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000872509350 654360854 /nfs/dbraw/zinc/36/08/54/654360854.db2.gz UBVGEIJGOAHYTH-UHFFFAOYSA-N 1 2 378.416 2.249 20 0 GEADLO C[C@H](Sc1nc(CC(=O)OCc2cccc3[nH+]ccn32)cs1)C(N)=O ZINC000892865167 654367317 /nfs/dbraw/zinc/36/73/17/654367317.db2.gz APAXTXDZDSTJQI-JTQLQIEISA-N 1 2 376.463 2.043 20 0 GEADLO O[C@@H](C[NH2+]Cc1ncc(Br)cn1)COc1ccc2cc[nH]c2c1 ZINC000905670141 654373313 /nfs/dbraw/zinc/37/33/13/654373313.db2.gz YKZODXRQTAJCNF-ZDUSSCGKSA-N 1 2 377.242 2.250 20 0 GEADLO COC[C@@H](O)CCNc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC000893051563 654378311 /nfs/dbraw/zinc/37/83/11/654378311.db2.gz VDZWAMSPAQJPFF-ZDUSSCGKSA-N 1 2 392.257 2.387 20 0 GEADLO COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854779569 654381616 /nfs/dbraw/zinc/38/16/16/654381616.db2.gz BMJSBXUNBCSQBQ-OAHLLOKOSA-N 1 2 396.241 2.096 20 0 GEADLO C[C@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000893380533 654399133 /nfs/dbraw/zinc/39/91/33/654399133.db2.gz RXYZOBJEWXXLDA-CMPLNLGQSA-N 1 2 399.314 2.147 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)NCC[S@@](=O)CC(F)(F)F)cn2c1 ZINC000855279243 654409065 /nfs/dbraw/zinc/40/90/65/654409065.db2.gz JODUEHINBWRZJX-RUZDIDTESA-N 1 2 393.456 2.303 20 0 GEADLO COC(=O)c1cnc([C@H](C)NC(=O)NCc2nc(C[NH+](C)C)cs2)s1 ZINC000922964344 654422031 /nfs/dbraw/zinc/42/20/31/654422031.db2.gz FPRWEJMDLUHZNG-VIFPVBQESA-N 1 2 383.499 2.008 20 0 GEADLO CCc1onc(C)c1C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000922989209 654423266 /nfs/dbraw/zinc/42/32/66/654423266.db2.gz YZJLTFSESVDBIM-GFCCVEGCSA-N 1 2 386.905 2.353 20 0 GEADLO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000923265914 654440619 /nfs/dbraw/zinc/44/06/19/654440619.db2.gz FLRFPKOLWCLSQZ-NWDGAFQWSA-N 1 2 376.400 2.289 20 0 GEADLO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000923265914 654440625 /nfs/dbraw/zinc/44/06/25/654440625.db2.gz FLRFPKOLWCLSQZ-NWDGAFQWSA-N 1 2 376.400 2.289 20 0 GEADLO CCCCNC(=O)c1ccc(C[NH2+]Cc2nc(Br)nn2C)cc1 ZINC000894175305 654452683 /nfs/dbraw/zinc/45/26/83/654452683.db2.gz GGVGRKCFCBAGPB-UHFFFAOYSA-N 1 2 380.290 2.397 20 0 GEADLO COc1cc([C@H](C)[NH2+]Cc2nc(Br)nn2C)cc(OC)c1OC ZINC000894179940 654453273 /nfs/dbraw/zinc/45/32/73/654453273.db2.gz VGRAIBKHLNLNPH-VIFPVBQESA-N 1 2 385.262 2.454 20 0 GEADLO Cn1cc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c(I)n1 ZINC000894219943 654457274 /nfs/dbraw/zinc/45/72/74/654457274.db2.gz HZRGWKAEUNQUEP-UHFFFAOYSA-N 1 2 399.232 2.476 20 0 GEADLO CN1CC[N@H+](C[C@@H]2C[C@]2(C)Br)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000894284232 654462080 /nfs/dbraw/zinc/46/20/80/654462080.db2.gz JAIPBMQQLVFSDK-XEZPLFJOSA-N 1 2 376.339 2.301 20 0 GEADLO CN1CC[N@@H+](C[C@@H]2C[C@]2(C)Br)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000894284232 654462084 /nfs/dbraw/zinc/46/20/84/654462084.db2.gz JAIPBMQQLVFSDK-XEZPLFJOSA-N 1 2 376.339 2.301 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906704218 654462848 /nfs/dbraw/zinc/46/28/48/654462848.db2.gz GQEVRDLQQBYVGR-AAEUAGOBSA-N 1 2 380.703 2.408 20 0 GEADLO C[C@@](CO)(NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000894310100 654464204 /nfs/dbraw/zinc/46/42/04/654464204.db2.gz SDXIWXDPCBCILY-PBHICJAKSA-N 1 2 393.285 2.167 20 0 GEADLO C[C@@H](CNC(=O)c1cnnn1-c1ccccc1Br)Cn1cc[nH+]c1 ZINC000906765907 654469776 /nfs/dbraw/zinc/46/97/76/654469776.db2.gz KOFXDIJSKWRQKM-LBPRGKRZSA-N 1 2 389.257 2.292 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)oc1Cl ZINC000906803983 654473710 /nfs/dbraw/zinc/47/37/10/654473710.db2.gz OBTGREIBELWFFP-JTQLQIEISA-N 1 2 392.886 2.362 20 0 GEADLO O=S(=O)(NCCn1cc[nH+]c1)[C@@H]1CCc2cc(Br)ccc2C1 ZINC000906807863 654474549 /nfs/dbraw/zinc/47/45/49/654474549.db2.gz SJHOLJZLXCGKKY-OAHLLOKOSA-N 1 2 384.299 2.123 20 0 GEADLO O=C(C[C@H](O)C(Cl)(Cl)Cl)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000906914882 654487442 /nfs/dbraw/zinc/48/74/42/654487442.db2.gz XXIBRFAVUAALNX-ZDUSSCGKSA-N 1 2 381.687 2.158 20 0 GEADLO CC(C)[N@@H+](Cc1nc(Br)nn1C)C[C@@H](O)COc1ccccc1 ZINC000894573666 654487543 /nfs/dbraw/zinc/48/75/43/654487543.db2.gz VDNTZXIIQFLJKV-CYBMUJFWSA-N 1 2 383.290 2.228 20 0 GEADLO CC(C)[N@H+](Cc1nc(Br)nn1C)C[C@@H](O)COc1ccccc1 ZINC000894573666 654487547 /nfs/dbraw/zinc/48/75/47/654487547.db2.gz VDNTZXIIQFLJKV-CYBMUJFWSA-N 1 2 383.290 2.228 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NCc2ncc(Br)s2)n1 ZINC000923945666 654492109 /nfs/dbraw/zinc/49/21/09/654492109.db2.gz JFLBTJINGVMXHJ-UHFFFAOYSA-N 1 2 390.332 2.423 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000894666885 654493158 /nfs/dbraw/zinc/49/31/58/654493158.db2.gz KNBBYOPMRPBOHS-OLZOCXBDSA-N 1 2 384.489 2.434 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000894666885 654493161 /nfs/dbraw/zinc/49/31/61/654493161.db2.gz KNBBYOPMRPBOHS-OLZOCXBDSA-N 1 2 384.489 2.434 20 0 GEADLO Brc1cnc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cn1 ZINC000856769002 654493891 /nfs/dbraw/zinc/49/38/91/654493891.db2.gz GWYVRKGBSDDUAA-CABCVRRESA-N 1 2 375.270 2.329 20 0 GEADLO Brc1cnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cn1 ZINC000856769002 654493894 /nfs/dbraw/zinc/49/38/94/654493894.db2.gz GWYVRKGBSDDUAA-CABCVRRESA-N 1 2 375.270 2.329 20 0 GEADLO Brc1cnccc1-c1noc([C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)n1 ZINC000924087288 654500216 /nfs/dbraw/zinc/50/02/16/654500216.db2.gz FFSMDZBOYLQFKI-RISCZKNCSA-N 1 2 395.257 2.446 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000894814280 654500613 /nfs/dbraw/zinc/50/06/13/654500613.db2.gz GAFRHUXCJBULTF-INIZCTEOSA-N 1 2 397.260 2.161 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000894814280 654500614 /nfs/dbraw/zinc/50/06/14/654500614.db2.gz GAFRHUXCJBULTF-INIZCTEOSA-N 1 2 397.260 2.161 20 0 GEADLO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2I)C12CCC2 ZINC000894917571 654505477 /nfs/dbraw/zinc/50/54/77/654505477.db2.gz NOLRYZZQIUEHSK-VXGBXAGGSA-N 1 2 375.254 2.414 20 0 GEADLO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2I)C12CCC2 ZINC000894917571 654505478 /nfs/dbraw/zinc/50/54/78/654505478.db2.gz NOLRYZZQIUEHSK-VXGBXAGGSA-N 1 2 375.254 2.414 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)N2CC(O)(c3ccc(Cl)cc3)C2)n1 ZINC000924781238 654524625 /nfs/dbraw/zinc/52/46/25/654524625.db2.gz RXAYUHSBJZLJBR-UHFFFAOYSA-N 1 2 380.901 2.271 20 0 GEADLO C=CC(=O)N(CC)CC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000907356321 654535626 /nfs/dbraw/zinc/53/56/26/654535626.db2.gz YQBKQFHENNZZFO-UHFFFAOYSA-N 1 2 393.285 2.098 20 0 GEADLO CC1(C)COCC[N@@H+]1CCN1C(=O)N[C@@H](c2ccccc2Br)C1=O ZINC000925295776 654540490 /nfs/dbraw/zinc/54/04/90/654540490.db2.gz SFLPWVZSSSUHIV-AWEZNQCLSA-N 1 2 396.285 2.153 20 0 GEADLO CC1(C)COCC[N@H+]1CCN1C(=O)N[C@@H](c2ccccc2Br)C1=O ZINC000925295776 654540493 /nfs/dbraw/zinc/54/04/93/654540493.db2.gz SFLPWVZSSSUHIV-AWEZNQCLSA-N 1 2 396.285 2.153 20 0 GEADLO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000925776590 654549077 /nfs/dbraw/zinc/54/90/77/654549077.db2.gz YBVUKJWQIMMUNO-HZPDHXFCSA-N 1 2 393.285 2.018 20 0 GEADLO CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000925776590 654549080 /nfs/dbraw/zinc/54/90/80/654549080.db2.gz YBVUKJWQIMMUNO-HZPDHXFCSA-N 1 2 393.285 2.018 20 0 GEADLO CC(C)n1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)nn1 ZINC000926369948 654569557 /nfs/dbraw/zinc/56/95/57/654569557.db2.gz PFGLWNRSTDPPSB-NSHDSACASA-N 1 2 389.884 2.281 20 0 GEADLO O=C(CNc1cccc[nH+]1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000907735801 654571951 /nfs/dbraw/zinc/57/19/51/654571951.db2.gz BTULQCOJDXJBQV-AWEZNQCLSA-N 1 2 378.270 2.223 20 0 GEADLO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1nc(Br)ccc1F ZINC000926529747 654573608 /nfs/dbraw/zinc/57/36/08/654573608.db2.gz XSIRYMZBLZCDQS-JTQLQIEISA-N 1 2 395.294 2.228 20 0 GEADLO O=C(Cn1cc(Br)ccc1=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927103256 654591892 /nfs/dbraw/zinc/59/18/92/654591892.db2.gz ZYXZVWHZPVODIQ-UHFFFAOYSA-N 1 2 391.269 2.109 20 0 GEADLO C/C(=C/C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)C[NH+]1CCOCC1 ZINC000908020492 654597319 /nfs/dbraw/zinc/59/73/19/654597319.db2.gz ICKZTLAASPRJQZ-UJNBGNEJSA-N 1 2 399.260 2.416 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@H](Cc3nccs3)C2)C1 ZINC000908132383 654607288 /nfs/dbraw/zinc/60/72/88/654607288.db2.gz RGTXLXSVCRKYMY-CQSZACIVSA-N 1 2 377.535 2.384 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@H](Cc3nccs3)C2)C1 ZINC000908132383 654607294 /nfs/dbraw/zinc/60/72/94/654607294.db2.gz RGTXLXSVCRKYMY-CQSZACIVSA-N 1 2 377.535 2.384 20 0 GEADLO C[C@@H](CC(=O)NCc1nc(C[NH+](C)C)cs1)n1cc(Br)cn1 ZINC000927763504 654612657 /nfs/dbraw/zinc/61/26/57/654612657.db2.gz GXNQQMNWAMDXLX-JTQLQIEISA-N 1 2 386.319 2.431 20 0 GEADLO COc1cc(C(=O)NCc2nc(C[NH+](C)C)cs2)cnc1Br ZINC000927766641 654613002 /nfs/dbraw/zinc/61/30/02/654613002.db2.gz IUPFAXJVSJILHB-UHFFFAOYSA-N 1 2 385.287 2.301 20 0 GEADLO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)C2(Br)CC2)CC1 ZINC000927841016 654616552 /nfs/dbraw/zinc/61/65/52/654616552.db2.gz AFQOBGJBUUKHEK-UHFFFAOYSA-N 1 2 390.322 2.019 20 0 GEADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928356257 654642265 /nfs/dbraw/zinc/64/22/65/654642265.db2.gz DTCOHMRWRHWUMX-FZMZJTMJSA-N 1 2 376.258 2.362 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(Br)ncc1Cl ZINC000928643853 654653804 /nfs/dbraw/zinc/65/38/04/654653804.db2.gz NNMBHMDGEYCNHH-SNVBAGLBSA-N 1 2 376.682 2.338 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cnc(Cl)c(Br)c1 ZINC000928646142 654654178 /nfs/dbraw/zinc/65/41/78/654654178.db2.gz FCRLCEMJOVOPCO-LLVKDONJSA-N 1 2 376.682 2.338 20 0 GEADLO C/C(=C/C(=O)N(C)C[C@H](O)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000909410729 654663707 /nfs/dbraw/zinc/66/37/07/654663707.db2.gz HFYOGAWFYUHCPF-IFCKCIONSA-N 1 2 397.313 2.219 20 0 GEADLO Cc1cc(C[N@H+](C)CCS(C)(=O)=O)c(C)cc1I ZINC000929495033 654685705 /nfs/dbraw/zinc/68/57/05/654685705.db2.gz YJKZXBDZMINBOU-UHFFFAOYSA-N 1 2 381.279 2.384 20 0 GEADLO Cc1cc(C[N@@H+](C)CCS(C)(=O)=O)c(C)cc1I ZINC000929495033 654685708 /nfs/dbraw/zinc/68/57/08/654685708.db2.gz YJKZXBDZMINBOU-UHFFFAOYSA-N 1 2 381.279 2.384 20 0 GEADLO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cnc(Br)c(C)c2)CC1 ZINC000930057417 654698172 /nfs/dbraw/zinc/69/81/72/654698172.db2.gz DUPSPMASQQHLQD-UHFFFAOYSA-N 1 2 398.301 2.044 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)ccc2CC)CC1 ZINC000930122828 654700078 /nfs/dbraw/zinc/70/00/78/654700078.db2.gz CTBICUYPPZOLBT-UHFFFAOYSA-N 1 2 396.329 2.296 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)ccc2CC)CC1 ZINC000930122828 654700082 /nfs/dbraw/zinc/70/00/82/654700082.db2.gz CTBICUYPPZOLBT-UHFFFAOYSA-N 1 2 396.329 2.296 20 0 GEADLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930300912 654705121 /nfs/dbraw/zinc/70/51/21/654705121.db2.gz RNHYDJMZKLTGSX-AFAVFJNCSA-N 1 2 393.285 2.266 20 0 GEADLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930300912 654705124 /nfs/dbraw/zinc/70/51/24/654705124.db2.gz RNHYDJMZKLTGSX-AFAVFJNCSA-N 1 2 393.285 2.266 20 0 GEADLO Cn1cc(Br)c(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1=O ZINC000930533176 654712520 /nfs/dbraw/zinc/71/25/20/654712520.db2.gz HSCVVAFHEDVIFX-CYBMUJFWSA-N 1 2 381.274 2.189 20 0 GEADLO C/C(=C\C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1)C[NH+]1CCOCC1 ZINC000912305790 654749660 /nfs/dbraw/zinc/74/96/60/654749660.db2.gz ZSKTXAVYYDKAIZ-YRNVUSSQSA-N 1 2 381.889 2.414 20 0 GEADLO COc1ccc(C[NH2+][C@H]2COCCC2(OC)OC)c(Br)c1OC ZINC000931665955 654751933 /nfs/dbraw/zinc/75/19/33/654751933.db2.gz FGOVWRYNYNBEGN-ZDUSSCGKSA-N 1 2 390.274 2.334 20 0 GEADLO COc1ncc(NC(=O)/C=C(/C)C[NH+]2CCOCC2)c(C)c1Br ZINC000912395887 654752462 /nfs/dbraw/zinc/75/24/62/654752462.db2.gz LSRYLWWCOVMBCF-FLIBITNWSA-N 1 2 384.274 2.378 20 0 GEADLO O[C@@H](C[N@@H+]1CCc2ccc(Br)c(F)c2C1)CC1(O)CCOCC1 ZINC000932014110 654764094 /nfs/dbraw/zinc/76/40/94/654764094.db2.gz NYOQURCXRBUVRN-CYBMUJFWSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@@H](C[N@H+]1CCc2ccc(Br)c(F)c2C1)CC1(O)CCOCC1 ZINC000932014110 654764095 /nfs/dbraw/zinc/76/40/95/654764095.db2.gz NYOQURCXRBUVRN-CYBMUJFWSA-N 1 2 388.277 2.239 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)n1 ZINC000932055638 654765072 /nfs/dbraw/zinc/76/50/72/654765072.db2.gz TUJFFTZTIGHIEJ-RYUDHWBXSA-N 1 2 385.306 2.202 20 0 GEADLO C/C(=C/C(=O)N1CCOc2cc(Br)ccc2C1)C[NH+]1CCOCC1 ZINC000912721102 654765381 /nfs/dbraw/zinc/76/53/81/654765381.db2.gz WFWWJARCXOJLLQ-UVTDQMKNSA-N 1 2 395.297 2.449 20 0 GEADLO Cn1c(C(=O)N2CC[N@H+](C)C[C@@H]2CO)ccc1-c1ccccc1Br ZINC000912746333 654766026 /nfs/dbraw/zinc/76/60/26/654766026.db2.gz IDZGRTWKBNOGQC-CYBMUJFWSA-N 1 2 392.297 2.203 20 0 GEADLO Cn1c(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)ccc1-c1ccccc1Br ZINC000912746333 654766030 /nfs/dbraw/zinc/76/60/30/654766030.db2.gz IDZGRTWKBNOGQC-CYBMUJFWSA-N 1 2 392.297 2.203 20 0 GEADLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)nn1-c1ccc(Cl)cc1Cl ZINC000912740425 654766105 /nfs/dbraw/zinc/76/61/05/654766105.db2.gz XBNPCMGNHTWRQN-CYBMUJFWSA-N 1 2 383.279 2.236 20 0 GEADLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)nn1-c1ccc(Cl)cc1Cl ZINC000912740425 654766110 /nfs/dbraw/zinc/76/61/10/654766110.db2.gz XBNPCMGNHTWRQN-CYBMUJFWSA-N 1 2 383.279 2.236 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1nccc2c(Br)cccc21 ZINC000932185647 654769419 /nfs/dbraw/zinc/76/94/19/654769419.db2.gz FYFQCJYKEXJPAX-ZDUSSCGKSA-N 1 2 391.313 2.363 20 0 GEADLO CCOC(=O)[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000932643948 654784060 /nfs/dbraw/zinc/78/40/60/654784060.db2.gz NFKJXKNXWCMJBH-GFCCVEGCSA-N 1 2 390.299 2.108 20 0 GEADLO CCOC(=O)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000932643948 654784063 /nfs/dbraw/zinc/78/40/63/654784063.db2.gz NFKJXKNXWCMJBH-GFCCVEGCSA-N 1 2 390.299 2.108 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3nc(CC(F)(F)F)no3)C2)s1 ZINC000932670352 654784937 /nfs/dbraw/zinc/78/49/37/654784937.db2.gz XDGQDLKQJBMPBY-QMMMGPOBSA-N 1 2 376.360 2.407 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3nc(CC(F)(F)F)no3)C2)s1 ZINC000932670352 654784939 /nfs/dbraw/zinc/78/49/39/654784939.db2.gz XDGQDLKQJBMPBY-QMMMGPOBSA-N 1 2 376.360 2.407 20 0 GEADLO O=C(C[NH+]1CCC2(CCNC(=O)O2)CC1)Nc1ccc(Br)cc1 ZINC000932763640 654788645 /nfs/dbraw/zinc/78/86/45/654788645.db2.gz RXNSDKCRJCOALH-UHFFFAOYSA-N 1 2 382.258 2.352 20 0 GEADLO Cc1ncc(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(C)c1Br ZINC000932786490 654790470 /nfs/dbraw/zinc/79/04/70/654790470.db2.gz SOEHTFLWFZKUHB-NSHDSACASA-N 1 2 384.322 2.218 20 0 GEADLO CO[C@@H](C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)c1ccc(Br)s1 ZINC000913441459 654792025 /nfs/dbraw/zinc/79/20/25/654792025.db2.gz MELQMQIHGWMKOZ-GXFFZTMASA-N 1 2 385.287 2.094 20 0 GEADLO COc1ccc(CCC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)cc1Br ZINC000913442258 654792302 /nfs/dbraw/zinc/79/23/02/654792302.db2.gz CADFDGQXJXCIFL-OAHLLOKOSA-N 1 2 393.285 2.287 20 0 GEADLO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913444668 654792330 /nfs/dbraw/zinc/79/23/30/654792330.db2.gz AMFUTWKGFQRKCY-AWEZNQCLSA-N 1 2 379.251 2.080 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[NH+]2CCC(CO)(C(F)(F)F)CC2)cc1 ZINC000932825899 654792432 /nfs/dbraw/zinc/79/24/32/654792432.db2.gz RMPBHYQYKZDTFR-UHFFFAOYSA-N 1 2 381.416 2.106 20 0 GEADLO CO[C@@H](C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1)c1ccccc1Br ZINC000913455716 654793194 /nfs/dbraw/zinc/79/31/94/654793194.db2.gz CKHNHWYNOUEQRW-JKSUJKDBSA-N 1 2 393.285 2.043 20 0 GEADLO O=C(N1CC[NH2+][C@H](c2cn[nH]c2)C1)C(F)(F)c1ccc(Br)cc1 ZINC000913457832 654793494 /nfs/dbraw/zinc/79/34/94/654793494.db2.gz GTSXBRXGWPGGNR-ZDUSSCGKSA-N 1 2 385.212 2.437 20 0 GEADLO Cc1ccc(Br)cc1CC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913461453 654793600 /nfs/dbraw/zinc/79/36/00/654793600.db2.gz WMRSMPCTRKTJGS-INIZCTEOSA-N 1 2 377.286 2.207 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3c(F)ccc(Br)c3F)CC[NH2+]2)cn1 ZINC000913461072 654793808 /nfs/dbraw/zinc/79/38/08/654793808.db2.gz PIMJXBCCTFZWDJ-LBPRGKRZSA-N 1 2 385.212 2.248 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)Cc3cc(F)ccc3Br)CC[NH2+]2)cn1 ZINC000913469115 654794227 /nfs/dbraw/zinc/79/42/27/654794227.db2.gz VWZGZZFZDKMICV-HNNXBMFYSA-N 1 2 381.249 2.037 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)CCc3ccc(Br)cc3)CC[NH2+]2)cn1 ZINC000913469120 654794615 /nfs/dbraw/zinc/79/46/15/654794615.db2.gz VXGUEDNILBZAGV-MRXNPFEDSA-N 1 2 377.286 2.288 20 0 GEADLO Cc1cc(OCC(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)ccc1Br ZINC000913475364 654794619 /nfs/dbraw/zinc/79/46/19/654794619.db2.gz LKHZCNUDSCZYNN-MRXNPFEDSA-N 1 2 393.285 2.043 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)CCc3ccc(Br)cc3F)CC[NH2+]2)cn1 ZINC000913470179 654794626 /nfs/dbraw/zinc/79/46/26/654794626.db2.gz UCBVMWFNMYHHJK-INIZCTEOSA-N 1 2 395.276 2.427 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)CCOc3cccc(Br)c3)CC[NH2+]2)cn1 ZINC000913475707 654794840 /nfs/dbraw/zinc/79/48/40/654794840.db2.gz NOUQHXZYMNMEEZ-INIZCTEOSA-N 1 2 393.285 2.125 20 0 GEADLO O=C(C[C@H](O)C(Cl)(Cl)Cl)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000913480620 654795160 /nfs/dbraw/zinc/79/51/60/654795160.db2.gz MGHACBIHJXQEFE-ZDUSSCGKSA-N 1 2 381.687 2.158 20 0 GEADLO CCn1c(Br)ncc1C(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC000913481893 654795207 /nfs/dbraw/zinc/79/52/07/654795207.db2.gz CKRNLWKVRZOCDI-CQSZACIVSA-N 1 2 393.285 2.461 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)C[C@H]1CO ZINC000913556843 654797613 /nfs/dbraw/zinc/79/76/13/654797613.db2.gz MRIGLFOZQQJEQL-ZDUSSCGKSA-N 1 2 377.535 2.077 20 0 GEADLO C[N@H+]1CCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)C[C@H]1CO ZINC000913556843 654797616 /nfs/dbraw/zinc/79/76/16/654797616.db2.gz MRIGLFOZQQJEQL-ZDUSSCGKSA-N 1 2 377.535 2.077 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C[C@@H]1CO ZINC000913549930 654797764 /nfs/dbraw/zinc/79/77/64/654797764.db2.gz JJZIDSKNIIUSRX-GFCCVEGCSA-N 1 2 378.885 2.030 20 0 GEADLO C[N@H+]1CCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C[C@@H]1CO ZINC000913549930 654797766 /nfs/dbraw/zinc/79/77/66/654797766.db2.gz JJZIDSKNIIUSRX-GFCCVEGCSA-N 1 2 378.885 2.030 20 0 GEADLO O=C(C(=O)N1CC[NH+](CCCCCO)CC1)c1ccc(Br)s1 ZINC000913694925 654804865 /nfs/dbraw/zinc/80/48/65/654804865.db2.gz KMDRWFJUWWAEMP-UHFFFAOYSA-N 1 2 389.315 2.000 20 0 GEADLO O=C(N[C@@H](CO)Cc1cncs1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000913696136 654804888 /nfs/dbraw/zinc/80/48/88/654804888.db2.gz BRZFJXJUDLNFRM-NVXWUHKLSA-N 1 2 379.913 2.481 20 0 GEADLO O=C(N[C@@H](CO)Cc1cncs1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000913696136 654804889 /nfs/dbraw/zinc/80/48/89/654804889.db2.gz BRZFJXJUDLNFRM-NVXWUHKLSA-N 1 2 379.913 2.481 20 0 GEADLO COC[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000933332556 654809194 /nfs/dbraw/zinc/80/91/94/654809194.db2.gz JMRZNKWHYGXSFA-CHWSQXEVSA-N 1 2 394.693 2.189 20 0 GEADLO COC[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000933332556 654809195 /nfs/dbraw/zinc/80/91/95/654809195.db2.gz JMRZNKWHYGXSFA-CHWSQXEVSA-N 1 2 394.693 2.189 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccnn1C1CCC1)[N@@H+]1CCc2sccc2C1 ZINC000913906212 654815341 /nfs/dbraw/zinc/81/53/41/654815341.db2.gz KPHDEJLFGDEBGQ-ZDUSSCGKSA-N 1 2 380.539 2.395 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccnn1C1CCC1)[N@H+]1CCc2sccc2C1 ZINC000913906212 654815342 /nfs/dbraw/zinc/81/53/42/654815342.db2.gz KPHDEJLFGDEBGQ-ZDUSSCGKSA-N 1 2 380.539 2.395 20 0 GEADLO O=C(N[C@H]1CCC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1 ZINC000933637402 654818538 /nfs/dbraw/zinc/81/85/38/654818538.db2.gz KBKZGJJWAVWGDD-PBHICJAKSA-N 1 2 384.929 2.359 20 0 GEADLO O=C(N[C@H]1CCC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1 ZINC000933637402 654818539 /nfs/dbraw/zinc/81/85/39/654818539.db2.gz KBKZGJJWAVWGDD-PBHICJAKSA-N 1 2 384.929 2.359 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933699323 654820513 /nfs/dbraw/zinc/82/05/13/654820513.db2.gz JPWQKRSUTDUZKX-VWYCJHECSA-N 1 2 394.324 2.177 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933699323 654820515 /nfs/dbraw/zinc/82/05/15/654820515.db2.gz JPWQKRSUTDUZKX-VWYCJHECSA-N 1 2 394.324 2.177 20 0 GEADLO O=C1[C@H]([N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000933721499 654821378 /nfs/dbraw/zinc/82/13/78/654821378.db2.gz FJOJCJJAXFRSAQ-JRPNMDOOSA-N 1 2 389.304 2.075 20 0 GEADLO O=C1[C@H]([N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000933721499 654821379 /nfs/dbraw/zinc/82/13/79/654821379.db2.gz FJOJCJJAXFRSAQ-JRPNMDOOSA-N 1 2 389.304 2.075 20 0 GEADLO O=S1(=O)C[C@H]2C[N@H+](Cc3cc(Br)cc4cccnc43)C[C@H]2C1 ZINC000933728504 654821781 /nfs/dbraw/zinc/82/17/81/654821781.db2.gz IIVBBURQTBVWBL-OKILXGFUSA-N 1 2 381.295 2.474 20 0 GEADLO O=S1(=O)C[C@H]2C[N@@H+](Cc3cc(Br)cc4cccnc43)C[C@H]2C1 ZINC000933728504 654821784 /nfs/dbraw/zinc/82/17/84/654821784.db2.gz IIVBBURQTBVWBL-OKILXGFUSA-N 1 2 381.295 2.474 20 0 GEADLO O=S(=O)(c1c(O)cccc1OC(F)(F)F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000914049319 654823269 /nfs/dbraw/zinc/82/32/69/654823269.db2.gz VUUPBMBHXCDIRE-NSHDSACASA-N 1 2 380.388 2.150 20 0 GEADLO C[N@@H+]1CCC[C@H](CNS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000914081249 654825283 /nfs/dbraw/zinc/82/52/83/654825283.db2.gz SHAANDMMXUCMFZ-YYUOZPCZSA-N 1 2 399.460 2.210 20 0 GEADLO C[N@H+]1CCC[C@H](CNS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000914081249 654825284 /nfs/dbraw/zinc/82/52/84/654825284.db2.gz SHAANDMMXUCMFZ-YYUOZPCZSA-N 1 2 399.460 2.210 20 0 GEADLO O[C@H](C[N@@H+]1CCc2cc(Cl)cc(Br)c2C1)C[C@]1(O)CCOC1 ZINC000933943398 654831837 /nfs/dbraw/zinc/83/18/37/654831837.db2.gz ZDNPIDCPPGGLNW-XJKSGUPXSA-N 1 2 390.705 2.363 20 0 GEADLO O[C@H](C[N@H+]1CCc2cc(Cl)cc(Br)c2C1)C[C@]1(O)CCOC1 ZINC000933943398 654831839 /nfs/dbraw/zinc/83/18/39/654831839.db2.gz ZDNPIDCPPGGLNW-XJKSGUPXSA-N 1 2 390.705 2.363 20 0 GEADLO O=C(N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000914173687 654832071 /nfs/dbraw/zinc/83/20/71/654832071.db2.gz WFXDWTWNAHIIDA-NJAPINKUSA-N 1 2 390.281 2.374 20 0 GEADLO COC(=O)c1cnc(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)cn1 ZINC000934494920 654851013 /nfs/dbraw/zinc/85/10/13/654851013.db2.gz MJGKOPKDIQCUMJ-INIZCTEOSA-N 1 2 380.242 2.023 20 0 GEADLO COC(=O)/C(C)=C\C[NH2+][C@@H](CO)c1ccccc1I ZINC000934828323 654862287 /nfs/dbraw/zinc/86/22/87/654862287.db2.gz LPESTYFSLHSZPJ-SZNGSJQDSA-N 1 2 375.206 2.034 20 0 GEADLO Cc1cc(C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)oc1Br ZINC000935912594 654926556 /nfs/dbraw/zinc/92/65/56/654926556.db2.gz VZFZACDMUIYFRJ-LLVKDONJSA-N 1 2 382.258 2.135 20 0 GEADLO C[C@@](O)(C(=O)N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(F)c(Br)c1 ZINC000935923319 654927853 /nfs/dbraw/zinc/92/78/53/654927853.db2.gz CKRZREXODHPSGH-BZNIZROVSA-N 1 2 382.233 2.123 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cs1)C2 ZINC000996382792 654947672 /nfs/dbraw/zinc/94/76/72/654947672.db2.gz FNFVZDCPUSSQIL-XBFCOCLRSA-N 1 2 378.885 2.239 20 0 GEADLO Cc1csc(Cl)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cc[nH+]c1 ZINC000999033315 654952777 /nfs/dbraw/zinc/95/27/77/654952777.db2.gz OFGFODIPPYAROU-AGIUHOORSA-N 1 2 378.885 2.468 20 0 GEADLO NC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164668450 719495094 /nfs/dbraw/zinc/49/50/94/719495094.db2.gz PRRMOMHUVHRDAF-UHFFFAOYSA-N 1 2 384.455 2.191 20 0 GEADLO NC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164668450 719495099 /nfs/dbraw/zinc/49/50/99/719495099.db2.gz PRRMOMHUVHRDAF-UHFFFAOYSA-N 1 2 384.455 2.191 20 0 GEADLO [O-][n+]1cc(F)ccc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673103 719499296 /nfs/dbraw/zinc/49/92/96/719499296.db2.gz NXTBLEIVNYSJHG-UHFFFAOYSA-N 1 2 375.419 2.470 20 0 GEADLO [O-][n+]1cc(F)ccc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673103 719499307 /nfs/dbraw/zinc/49/93/07/719499307.db2.gz NXTBLEIVNYSJHG-UHFFFAOYSA-N 1 2 375.419 2.470 20 0 GEADLO CNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164674018 719514773 /nfs/dbraw/zinc/51/47/73/719514773.db2.gz YXUPJBZRROEBSR-UHFFFAOYSA-N 1 2 398.482 2.452 20 0 GEADLO CNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164674018 719514782 /nfs/dbraw/zinc/51/47/82/719514782.db2.gz YXUPJBZRROEBSR-UHFFFAOYSA-N 1 2 398.482 2.452 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)cc1Cl ZINC001164704528 719841584 /nfs/dbraw/zinc/84/15/84/719841584.db2.gz RSEKHIHMYXLNSE-BZNIZROVSA-N 1 2 389.283 2.016 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cccc(OC)c2n1 ZINC001164705792 719846078 /nfs/dbraw/zinc/84/60/78/719846078.db2.gz VRVTUADFWASZCO-HTAPYJJXSA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)c2ccccc2n1 ZINC001164698747 719851330 /nfs/dbraw/zinc/85/13/30/719851330.db2.gz DNBDBWIYYAQGIS-IERDGZPVSA-N 1 2 384.480 2.171 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2cc(C)ccc2n1 ZINC001164701922 719856735 /nfs/dbraw/zinc/85/67/35/719856735.db2.gz MAODRAGRKIZZJM-UTKZUKDTSA-N 1 2 384.480 2.171 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(OC(C)C)n1 ZINC001164700447 719858347 /nfs/dbraw/zinc/85/83/47/719858347.db2.gz HEYVJQMFUQFITF-OXQOHEQNSA-N 1 2 377.485 2.102 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2ncc(F)cc2n1 ZINC001164708049 719864828 /nfs/dbraw/zinc/86/48/28/719864828.db2.gz XKCDCGTWEUWQTB-FOIQADDNSA-N 1 2 388.443 2.002 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)ncn1 ZINC001164705017 719866832 /nfs/dbraw/zinc/86/68/32/719866832.db2.gz MZNRWCKJBXPUEC-AVRDEDQJSA-N 1 2 396.491 2.376 20 0 GEADLO COc1cnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1NC(C)C ZINC001165007109 721693406 /nfs/dbraw/zinc/69/34/06/721693406.db2.gz AQMRVFCNJLFSOX-UHFFFAOYSA-N 1 2 388.520 2.148 20 0 GEADLO COc1cnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1NC(C)C ZINC001165007109 721693415 /nfs/dbraw/zinc/69/34/15/721693415.db2.gz AQMRVFCNJLFSOX-UHFFFAOYSA-N 1 2 388.520 2.148 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1ccn3C)C2 ZINC001165011363 721699891 /nfs/dbraw/zinc/69/98/91/721699891.db2.gz RLHJIECGOBCJCE-UHFFFAOYSA-N 1 2 388.907 2.464 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1ccn3C)C2 ZINC001165011363 721699895 /nfs/dbraw/zinc/69/98/95/721699895.db2.gz RLHJIECGOBCJCE-UHFFFAOYSA-N 1 2 388.907 2.464 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)C2 ZINC001165009754 721704744 /nfs/dbraw/zinc/70/47/44/721704744.db2.gz CZTVGHQWIRESBM-UHFFFAOYSA-N 1 2 389.891 2.072 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)C2 ZINC001165009754 721704751 /nfs/dbraw/zinc/70/47/51/721704751.db2.gz CZTVGHQWIRESBM-UHFFFAOYSA-N 1 2 389.891 2.072 20 0 GEADLO COc1nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc2ccccc21 ZINC001165009525 721705983 /nfs/dbraw/zinc/70/59/83/721705983.db2.gz AEOVTYRKYBGBFU-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO COc1nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc2ccccc21 ZINC001165009525 721705985 /nfs/dbraw/zinc/70/59/85/721705985.db2.gz AEOVTYRKYBGBFU-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cncc(N3CCCCC3)n1)C2 ZINC001165009898 721710043 /nfs/dbraw/zinc/71/00/43/721710043.db2.gz WYUJPBZTAUYMPJ-UHFFFAOYSA-N 1 2 384.532 2.309 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cncc(N3CCCCC3)n1)C2 ZINC001165009898 721710052 /nfs/dbraw/zinc/71/00/52/721710052.db2.gz WYUJPBZTAUYMPJ-UHFFFAOYSA-N 1 2 384.532 2.309 20 0 GEADLO CSc1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916699 721785670 /nfs/dbraw/zinc/78/56/70/721785670.db2.gz SOEFPOGHXPOGTB-HXUWFJFHSA-N 1 2 386.521 2.306 20 0 GEADLO CSc1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916699 721785673 /nfs/dbraw/zinc/78/56/73/721785673.db2.gz SOEFPOGHXPOGTB-HXUWFJFHSA-N 1 2 386.521 2.306 20 0 GEADLO CSc1cccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914663 721793196 /nfs/dbraw/zinc/79/31/96/721793196.db2.gz PHAWQEPMHXBRDA-HXUWFJFHSA-N 1 2 386.521 2.306 20 0 GEADLO CSc1cccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914663 721793200 /nfs/dbraw/zinc/79/32/00/721793200.db2.gz PHAWQEPMHXBRDA-HXUWFJFHSA-N 1 2 386.521 2.306 20 0 GEADLO Cc1cnc2n1CC[N@@H+](C)C21CCN([C@@H](F)Oc2ccc(Cl)nn2)CC1 ZINC001164919742 721821606 /nfs/dbraw/zinc/82/16/06/721821606.db2.gz VKZBHGVRQIULQZ-MRXNPFEDSA-N 1 2 380.855 2.204 20 0 GEADLO Cc1cnc2n1CC[N@H+](C)C21CCN([C@@H](F)Oc2ccc(Cl)nn2)CC1 ZINC001164919742 721821608 /nfs/dbraw/zinc/82/16/08/721821608.db2.gz VKZBHGVRQIULQZ-MRXNPFEDSA-N 1 2 380.855 2.204 20 0 GEADLO COC(=O)c1ccc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)n1 ZINC001165038114 721908217 /nfs/dbraw/zinc/90/82/17/721908217.db2.gz JYTCVGZJSRRWDA-LBPRGKRZSA-N 1 2 389.830 2.368 20 0 GEADLO Cc1nc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947695 721975055 /nfs/dbraw/zinc/97/50/55/721975055.db2.gz QQNYAECTLCDAQB-UHFFFAOYSA-N 1 2 385.899 2.409 20 0 GEADLO Cc1nc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947695 721975057 /nfs/dbraw/zinc/97/50/57/721975057.db2.gz QQNYAECTLCDAQB-UHFFFAOYSA-N 1 2 385.899 2.409 20 0 GEADLO CSc1cncc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164948339 721980448 /nfs/dbraw/zinc/98/04/48/721980448.db2.gz KZQKCHBJRPXOAI-UHFFFAOYSA-N 1 2 383.521 2.170 20 0 GEADLO CSc1cncc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164948339 721980452 /nfs/dbraw/zinc/98/04/52/721980452.db2.gz KZQKCHBJRPXOAI-UHFFFAOYSA-N 1 2 383.521 2.170 20 0 GEADLO Cc1nc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c2c([nH+]1)CCC2 ZINC001165006485 722266884 /nfs/dbraw/zinc/26/68/84/722266884.db2.gz KCOILYSIUJQQEX-JOCHJYFZSA-N 1 2 395.482 2.340 20 0 GEADLO CCc1nn(C)c(CC)c1S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000151729632 531517378 /nfs/dbraw/zinc/51/73/78/531517378.db2.gz ZFWUZUMDVCXIOK-UHFFFAOYSA-N 1 2 381.889 2.325 20 0 GEADLO Cc1ccc(I)cc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000151765593 531518957 /nfs/dbraw/zinc/51/89/57/531518957.db2.gz KUAIBIYAUUCFRG-UHFFFAOYSA-N 1 2 388.249 2.004 20 0 GEADLO COc1ccc(Br)cc1CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000022592081 531592751 /nfs/dbraw/zinc/59/27/51/531592751.db2.gz DXEIXTMFIUZMDI-CYBMUJFWSA-N 1 2 396.329 2.242 20 0 GEADLO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)NC[C@@H](O)c1ccsc1 ZINC000153366321 531596312 /nfs/dbraw/zinc/59/63/12/531596312.db2.gz IYHLCNDKHNYQRT-HUUCEWRRSA-N 1 2 381.523 2.216 20 0 GEADLO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000023820567 531601068 /nfs/dbraw/zinc/60/10/68/531601068.db2.gz OJAPZYLYJBXHGP-VIFPVBQESA-N 1 2 375.256 2.098 20 0 GEADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000023820567 531601073 /nfs/dbraw/zinc/60/10/73/531601073.db2.gz OJAPZYLYJBXHGP-VIFPVBQESA-N 1 2 375.256 2.098 20 0 GEADLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000025009751 531611433 /nfs/dbraw/zinc/61/14/33/531611433.db2.gz XDGPVWOKJDUZTF-UHFFFAOYSA-N 1 2 379.507 2.327 20 0 GEADLO Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000026767406 531619895 /nfs/dbraw/zinc/61/98/95/531619895.db2.gz VLUFJQRXYNPKCE-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000026957701 531621781 /nfs/dbraw/zinc/62/17/81/531621781.db2.gz FPECXDYJHHTRJI-CQSZACIVSA-N 1 2 380.432 2.341 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000026957701 531621788 /nfs/dbraw/zinc/62/17/88/531621788.db2.gz FPECXDYJHHTRJI-CQSZACIVSA-N 1 2 380.432 2.341 20 0 GEADLO O=C(C[NH+]1CCN(c2ccc(Br)cn2)CC1)NC1CCCCC1 ZINC000030199717 531632363 /nfs/dbraw/zinc/63/23/63/531632363.db2.gz DEKQTAIMTANMOY-UHFFFAOYSA-N 1 2 381.318 2.415 20 0 GEADLO CCNc1nnc(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000031033080 531643733 /nfs/dbraw/zinc/64/37/33/531643733.db2.gz MJELJZBGAMZBFI-UHFFFAOYSA-N 1 2 383.568 2.468 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1Br ZINC000031941882 531648047 /nfs/dbraw/zinc/64/80/47/531648047.db2.gz CBSGDXWHWBERBX-INIZCTEOSA-N 1 2 385.327 2.387 20 0 GEADLO O=C(NCCc1cccc(Cl)c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031167386 531643967 /nfs/dbraw/zinc/64/39/67/531643967.db2.gz JPSCTLARGFWPAV-GOSISDBHSA-N 1 2 383.945 2.390 20 0 GEADLO COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+](C)Cc1ccc(Br)o1 ZINC000030973654 531644211 /nfs/dbraw/zinc/64/42/11/531644211.db2.gz RDAIULCTODGASP-LBPRGKRZSA-N 1 2 375.263 2.178 20 0 GEADLO COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000030973654 531644220 /nfs/dbraw/zinc/64/42/20/531644220.db2.gz RDAIULCTODGASP-LBPRGKRZSA-N 1 2 375.263 2.178 20 0 GEADLO CC(C)OC(=O)CCC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000154909595 531641694 /nfs/dbraw/zinc/64/16/94/531641694.db2.gz SPUNXJYZADTMKL-AWEZNQCLSA-N 1 2 375.238 2.436 20 0 GEADLO COC(=O)CC[N@H+](CC(=O)Nc1ccon1)Cc1cccc(Br)c1 ZINC000616794170 531648592 /nfs/dbraw/zinc/64/85/92/531648592.db2.gz VQSULCCSPBIIJT-UHFFFAOYSA-N 1 2 396.241 2.441 20 0 GEADLO COC(=O)CC[N@@H+](CC(=O)Nc1ccon1)Cc1cccc(Br)c1 ZINC000616794170 531648599 /nfs/dbraw/zinc/64/85/99/531648599.db2.gz VQSULCCSPBIIJT-UHFFFAOYSA-N 1 2 396.241 2.441 20 0 GEADLO CS[C@@H]1CCC[C@@H](NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C1 ZINC000155175318 531661423 /nfs/dbraw/zinc/66/14/23/531661423.db2.gz GDTKLOWTPLRQMV-HUUCEWRRSA-N 1 2 384.567 2.426 20 0 GEADLO O=C(COc1ccc(F)c(Cl)c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000041408297 531662966 /nfs/dbraw/zinc/66/29/66/531662966.db2.gz MIIWAYZCPYFIGP-QGZVFWFLSA-N 1 2 388.892 2.182 20 0 GEADLO Cc1cnc([C@@H](C)NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)s1 ZINC000155258168 531667937 /nfs/dbraw/zinc/66/79/37/531667937.db2.gz UQEYWMFEMMEHHH-CYBMUJFWSA-N 1 2 381.523 2.278 20 0 GEADLO O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)NCCn1cc[nH+]c1 ZINC000043310629 531680336 /nfs/dbraw/zinc/68/03/36/531680336.db2.gz CIAFRTPEGXJOCP-UHFFFAOYSA-N 1 2 376.770 2.362 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000043311996 531681066 /nfs/dbraw/zinc/68/10/66/531681066.db2.gz DHYALRWCYYUVID-UHFFFAOYSA-N 1 2 398.330 2.235 20 0 GEADLO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000155549941 531688491 /nfs/dbraw/zinc/68/84/91/531688491.db2.gz IRTOSIJZTNIYDU-GHMZBOCLSA-N 1 2 389.315 2.017 20 0 GEADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000045355848 531690246 /nfs/dbraw/zinc/69/02/46/531690246.db2.gz CFYUCPGZCVKBQV-GFCCVEGCSA-N 1 2 387.311 2.026 20 0 GEADLO Cn1cc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(Br)c1=O ZINC000156258469 531725044 /nfs/dbraw/zinc/72/50/44/531725044.db2.gz HWIMKPOIBDCBOX-CYBMUJFWSA-N 1 2 393.241 2.228 20 0 GEADLO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156262198 531725618 /nfs/dbraw/zinc/72/56/18/531725618.db2.gz VMDVQQWVGMBABM-VXGBXAGGSA-N 1 2 384.263 2.308 20 0 GEADLO O=C(Cn1cc(Br)ccc1=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000047527499 531714846 /nfs/dbraw/zinc/71/48/46/531714846.db2.gz VUJLLEBPJMXOPS-UHFFFAOYSA-N 1 2 396.310 2.017 20 0 GEADLO O=C(CSc1nncn1-c1cccc(Cl)c1)NCCCn1cc[nH+]c1 ZINC000047614562 531717332 /nfs/dbraw/zinc/71/73/32/531717332.db2.gz VGTBJPBONMHJAC-UHFFFAOYSA-N 1 2 376.873 2.416 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000047595164 531718031 /nfs/dbraw/zinc/71/80/31/531718031.db2.gz JYBXYZWDLQMQGS-BBRMVZONSA-N 1 2 387.933 2.209 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000051475050 531742620 /nfs/dbraw/zinc/74/26/20/531742620.db2.gz HHMWUDTYPCKVCM-OLZOCXBDSA-N 1 2 387.311 2.146 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000051475050 531742631 /nfs/dbraw/zinc/74/26/31/531742631.db2.gz HHMWUDTYPCKVCM-OLZOCXBDSA-N 1 2 387.311 2.146 20 0 GEADLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000051536971 531742775 /nfs/dbraw/zinc/74/27/75/531742775.db2.gz PCECTWYQPXDPFN-CQSZACIVSA-N 1 2 381.318 2.367 20 0 GEADLO COc1ccc(I)c(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000051648584 531743994 /nfs/dbraw/zinc/74/39/94/531743994.db2.gz YIAHRKICTHSDQQ-UHFFFAOYSA-N 1 2 386.193 2.318 20 0 GEADLO CCc1nc(CN2CC[NH+](C[C@H](O)c3ccccc3Br)CC2)no1 ZINC000157734995 531753522 /nfs/dbraw/zinc/75/35/22/531753522.db2.gz AYDPXLJLNGFWEJ-HNNXBMFYSA-N 1 2 395.301 2.246 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c(Cl)c1 ZINC000053217720 531757725 /nfs/dbraw/zinc/75/77/25/531757725.db2.gz NTASIDVYUHMIRK-AWEZNQCLSA-N 1 2 387.933 2.381 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c(Cl)c1 ZINC000053217720 531757729 /nfs/dbraw/zinc/75/77/29/531757729.db2.gz NTASIDVYUHMIRK-AWEZNQCLSA-N 1 2 387.933 2.381 20 0 GEADLO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1csc2ccccc12 ZINC000052805956 531750790 /nfs/dbraw/zinc/75/07/90/531750790.db2.gz ZWGFVRRVJDGNFP-DZGCQCFKSA-N 1 2 380.535 2.367 20 0 GEADLO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1csc2ccccc12 ZINC000052805956 531750800 /nfs/dbraw/zinc/75/08/00/531750800.db2.gz ZWGFVRRVJDGNFP-DZGCQCFKSA-N 1 2 380.535 2.367 20 0 GEADLO CC(C)(CNC(=O)c1cc2c(c(Br)c1)OCO2)[NH+]1CCOCC1 ZINC000055091993 531780900 /nfs/dbraw/zinc/78/09/00/531780900.db2.gz CCTRXGAWRCBDKL-UHFFFAOYSA-N 1 2 385.258 2.018 20 0 GEADLO C[C@H]1CN(C(=O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000158203752 531768315 /nfs/dbraw/zinc/76/83/15/531768315.db2.gz XOUPRRSIORNWIE-STQMWFEESA-N 1 2 375.296 2.424 20 0 GEADLO C[C@H]1CN(C(=O)C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000158203752 531768321 /nfs/dbraw/zinc/76/83/21/531768321.db2.gz XOUPRRSIORNWIE-STQMWFEESA-N 1 2 375.296 2.424 20 0 GEADLO C[C@@H]1CN(C(=O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000158203615 531769969 /nfs/dbraw/zinc/76/99/69/531769969.db2.gz XOUPRRSIORNWIE-BETUJISGSA-N 1 2 375.296 2.424 20 0 GEADLO C[C@@H]1CN(C(=O)C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000158203615 531769977 /nfs/dbraw/zinc/76/99/77/531769977.db2.gz XOUPRRSIORNWIE-BETUJISGSA-N 1 2 375.296 2.424 20 0 GEADLO CN(CC(=O)NCc1cn2ccccc2[nH+]1)C(=O)c1ccc(Br)o1 ZINC000054149209 531773227 /nfs/dbraw/zinc/77/32/27/531773227.db2.gz UMDLKJCIMHBPQT-UHFFFAOYSA-N 1 2 391.225 2.078 20 0 GEADLO Cc1noc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000054211564 531776456 /nfs/dbraw/zinc/77/64/56/531776456.db2.gz PQYIYWLMEHJYBT-LLVKDONJSA-N 1 2 380.246 2.386 20 0 GEADLO Cc1noc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000054211564 531776460 /nfs/dbraw/zinc/77/64/60/531776460.db2.gz PQYIYWLMEHJYBT-LLVKDONJSA-N 1 2 380.246 2.386 20 0 GEADLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1sccc1Br ZINC000159359432 531779337 /nfs/dbraw/zinc/77/93/37/531779337.db2.gz UCJKWUUNDFMZLV-SNVBAGLBSA-N 1 2 388.312 2.463 20 0 GEADLO Nc1ncc2c(n1)C[N@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)CC2 ZINC000623292025 531805197 /nfs/dbraw/zinc/80/51/97/531805197.db2.gz YMIGJAZKJSESMP-HNNXBMFYSA-N 1 2 388.269 2.133 20 0 GEADLO Nc1ncc2c(n1)C[N@@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)CC2 ZINC000623292025 531805200 /nfs/dbraw/zinc/80/52/00/531805200.db2.gz YMIGJAZKJSESMP-HNNXBMFYSA-N 1 2 388.269 2.133 20 0 GEADLO COc1cc(C[NH+]2CCC(O)CC2)cc(I)c1OC ZINC000162266333 531839136 /nfs/dbraw/zinc/83/91/36/531839136.db2.gz KJDPDUVDKSKKSY-UHFFFAOYSA-N 1 2 377.222 2.265 20 0 GEADLO C[C@@H]1CCC[C@H](CO)[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000162289278 531840091 /nfs/dbraw/zinc/84/00/91/531840091.db2.gz FINGHNWAJTWRSM-TZMCWYRMSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@@H]1CCC[C@H](CO)[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000162289278 531840097 /nfs/dbraw/zinc/84/00/97/531840097.db2.gz FINGHNWAJTWRSM-TZMCWYRMSA-N 1 2 376.316 2.458 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)Nc1cccc(I)c1 ZINC000163603279 531861600 /nfs/dbraw/zinc/86/16/00/531861600.db2.gz ZBVHFKOCTYFSOQ-UHFFFAOYSA-N 1 2 397.172 2.272 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000063770605 531862075 /nfs/dbraw/zinc/86/20/75/531862075.db2.gz PQLFHRYNWZGBJV-UHFFFAOYSA-N 1 2 378.523 2.156 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000063770605 531862081 /nfs/dbraw/zinc/86/20/81/531862081.db2.gz PQLFHRYNWZGBJV-UHFFFAOYSA-N 1 2 378.523 2.156 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)Nc1cnn(-c2ccccc2Br)c1 ZINC000165018138 531870629 /nfs/dbraw/zinc/87/06/29/531870629.db2.gz QUXMGPVLPWYRBO-UHFFFAOYSA-N 1 2 394.273 2.089 20 0 GEADLO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c1Cl ZINC000165262640 531871820 /nfs/dbraw/zinc/87/18/20/531871820.db2.gz BTBJUMDKCCCZFD-UHFFFAOYSA-N 1 2 378.834 2.387 20 0 GEADLO CNC(=O)Cc1nc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cs1 ZINC000165776339 531873663 /nfs/dbraw/zinc/87/36/63/531873663.db2.gz DPMQGNYWSZDTJH-UHFFFAOYSA-N 1 2 378.929 2.403 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1)NCc1ccc(Cl)s1 ZINC000067118135 531877123 /nfs/dbraw/zinc/87/71/23/531877123.db2.gz LWKDAHDQHLRSOI-ZDUSSCGKSA-N 1 2 387.958 2.058 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1)NCc1ccc(Cl)s1 ZINC000067118135 531877129 /nfs/dbraw/zinc/87/71/29/531877129.db2.gz LWKDAHDQHLRSOI-ZDUSSCGKSA-N 1 2 387.958 2.058 20 0 GEADLO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000171175415 531897231 /nfs/dbraw/zinc/89/72/31/531897231.db2.gz CLFQXBCLXFHQHC-UHFFFAOYSA-N 1 2 388.225 2.203 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000171529460 531908040 /nfs/dbraw/zinc/90/80/40/531908040.db2.gz DQZBNHXLUIRQFN-CQSZACIVSA-N 1 2 378.274 2.224 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)NCCS(C)(=O)=O)c1ccccc1Cl ZINC000076037854 531917799 /nfs/dbraw/zinc/91/77/99/531917799.db2.gz ITUANJOZRDSLBF-HNNXBMFYSA-N 1 2 375.922 2.067 20 0 GEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1csc(-c2cccs2)n1 ZINC000171928159 531923771 /nfs/dbraw/zinc/92/37/71/531923771.db2.gz VPTACZBMHVBQKK-UHFFFAOYSA-N 1 2 381.523 2.179 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c(OC)c1 ZINC000092188485 531926052 /nfs/dbraw/zinc/92/60/52/531926052.db2.gz IRWULHZRDAXAHO-LBPRGKRZSA-N 1 2 398.301 2.456 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c(OC)c1 ZINC000092188485 531926060 /nfs/dbraw/zinc/92/60/60/531926060.db2.gz IRWULHZRDAXAHO-LBPRGKRZSA-N 1 2 398.301 2.456 20 0 GEADLO O=C(C[N@H+]1CCCN(C(=O)c2cccc(Br)c2)CC1)N1CCCC1 ZINC000071875972 531915076 /nfs/dbraw/zinc/91/50/76/531915076.db2.gz BIPVWHUXEPQBQD-UHFFFAOYSA-N 1 2 394.313 2.219 20 0 GEADLO O=C(C[N@@H+]1CCCN(C(=O)c2cccc(Br)c2)CC1)N1CCCC1 ZINC000071875972 531915082 /nfs/dbraw/zinc/91/50/82/531915082.db2.gz BIPVWHUXEPQBQD-UHFFFAOYSA-N 1 2 394.313 2.219 20 0 GEADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000172073351 531933648 /nfs/dbraw/zinc/93/36/48/531933648.db2.gz GYWMJWQWKCBNHX-NXEZZACHSA-N 1 2 378.288 2.431 20 0 GEADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000172073351 531933653 /nfs/dbraw/zinc/93/36/53/531933653.db2.gz GYWMJWQWKCBNHX-NXEZZACHSA-N 1 2 378.288 2.431 20 0 GEADLO Cc1nnc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)o1 ZINC000097503906 531935710 /nfs/dbraw/zinc/93/57/10/531935710.db2.gz WEDMHSYHRNYZNW-LLVKDONJSA-N 1 2 380.246 2.386 20 0 GEADLO Cc1nnc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)o1 ZINC000097503906 531935715 /nfs/dbraw/zinc/93/57/15/531935715.db2.gz WEDMHSYHRNYZNW-LLVKDONJSA-N 1 2 380.246 2.386 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2[nH+]ccn2C)c1 ZINC000097549194 531937205 /nfs/dbraw/zinc/93/72/05/531937205.db2.gz ASTBGIMSNUBPIJ-UHFFFAOYSA-N 1 2 384.889 2.034 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000105738800 531941409 /nfs/dbraw/zinc/94/14/09/531941409.db2.gz NBIWAXHKDPEGSE-WCQYABFASA-N 1 2 390.237 2.464 20 0 GEADLO CS(=O)(=O)N[C@H]1CCC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000117873002 531962008 /nfs/dbraw/zinc/96/20/08/531962008.db2.gz GBRIIAAFPNJJPU-YTEVENLXSA-N 1 2 399.365 2.115 20 0 GEADLO CS(=O)(=O)N[C@H]1CCC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000117873002 531962016 /nfs/dbraw/zinc/96/20/16/531962016.db2.gz GBRIIAAFPNJJPU-YTEVENLXSA-N 1 2 399.365 2.115 20 0 GEADLO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC=C(c3cccs3)CC2)c1 ZINC000117895786 531962290 /nfs/dbraw/zinc/96/22/90/531962290.db2.gz VCPQYWCRMSBOSY-UHFFFAOYSA-N 1 2 377.491 2.123 20 0 GEADLO NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC=C(c3cccs3)CC2)c1 ZINC000117895786 531962297 /nfs/dbraw/zinc/96/22/97/531962297.db2.gz VCPQYWCRMSBOSY-UHFFFAOYSA-N 1 2 377.491 2.123 20 0 GEADLO Cc1nc(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000172759781 531967516 /nfs/dbraw/zinc/96/75/16/531967516.db2.gz JQXSPRSPDLYIEP-UHFFFAOYSA-N 1 2 391.269 2.275 20 0 GEADLO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172763057 531967862 /nfs/dbraw/zinc/96/78/62/531967862.db2.gz URIVBFWPQGGDAT-AWEZNQCLSA-N 1 2 378.270 2.477 20 0 GEADLO COC(=O)c1ccc(C[N@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)s1 ZINC000119491194 531971559 /nfs/dbraw/zinc/97/15/59/531971559.db2.gz PBORNNIYGVXNQE-UHFFFAOYSA-N 1 2 382.507 2.253 20 0 GEADLO COC(=O)c1ccc(C[N@@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)s1 ZINC000119491194 531971564 /nfs/dbraw/zinc/97/15/64/531971564.db2.gz PBORNNIYGVXNQE-UHFFFAOYSA-N 1 2 382.507 2.253 20 0 GEADLO Cc1cccn2cc(CS(=O)(=O)CC(=O)N[C@H](C)c3cccs3)[nH+]c12 ZINC000120761336 531994141 /nfs/dbraw/zinc/99/41/41/531994141.db2.gz XLQSXYOUXWTPKU-CYBMUJFWSA-N 1 2 377.491 2.496 20 0 GEADLO O=C(CS(=O)(=O)Cc1cn2ccccc2[nH+]1)NCc1ccc(Cl)cc1 ZINC000120765464 531994594 /nfs/dbraw/zinc/99/45/94/531994594.db2.gz ORJMVTACZNPDJS-UHFFFAOYSA-N 1 2 377.853 2.219 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c(F)c1Cl ZINC000173130003 531989794 /nfs/dbraw/zinc/98/97/94/531989794.db2.gz OGNZZKUIMSYXTA-SNVBAGLBSA-N 1 2 395.859 2.197 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c(F)c1Cl ZINC000173130003 531989801 /nfs/dbraw/zinc/98/98/01/531989801.db2.gz OGNZZKUIMSYXTA-SNVBAGLBSA-N 1 2 395.859 2.197 20 0 GEADLO O[C@@H](CSc1nnc(NCCc2cccs2)s1)C[NH+]1CCOCC1 ZINC000120910342 532002185 /nfs/dbraw/zinc/00/21/85/532002185.db2.gz AFXWHFFJXYLGSA-GFCCVEGCSA-N 1 2 386.568 2.039 20 0 GEADLO COc1cc(Br)c(CN2CC[C@H]([NH+]3CCOCC3)C2)c(OC)c1 ZINC000120983257 532005458 /nfs/dbraw/zinc/00/54/58/532005458.db2.gz YITABCOCTBNNFA-ZDUSSCGKSA-N 1 2 385.302 2.373 20 0 GEADLO O=C(c1cc(I)c(F)cc1F)N1CC[NH+](C2CC2)CC1 ZINC000120991636 532005913 /nfs/dbraw/zinc/00/59/13/532005913.db2.gz BYZNZCJEZDEVKE-UHFFFAOYSA-N 1 2 392.187 2.490 20 0 GEADLO COc1cc(Br)c(CN2CC[C@@H]([NH+]3CCOCC3)C2)c(OC)c1 ZINC000120983426 532006514 /nfs/dbraw/zinc/00/65/14/532006514.db2.gz YITABCOCTBNNFA-CYBMUJFWSA-N 1 2 385.302 2.373 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173540828 532018666 /nfs/dbraw/zinc/01/86/66/532018666.db2.gz GTTXCLNGPBGDJA-AWEZNQCLSA-N 1 2 393.336 2.477 20 0 GEADLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1ccccc1Br ZINC000173637578 532024991 /nfs/dbraw/zinc/02/49/91/532024991.db2.gz FCZXAUHCVPUSIR-NSHDSACASA-N 1 2 378.274 2.494 20 0 GEADLO CCOCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000121471977 532030519 /nfs/dbraw/zinc/03/05/19/532030519.db2.gz QODHXODCKQTELI-UHFFFAOYSA-N 1 2 397.360 2.244 20 0 GEADLO CCOCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000121471977 532030521 /nfs/dbraw/zinc/03/05/21/532030521.db2.gz QODHXODCKQTELI-UHFFFAOYSA-N 1 2 397.360 2.244 20 0 GEADLO Cc1nsc(N2CCC[N@H+](CC(=O)NCc3ccc(Cl)s3)CC2)n1 ZINC000173765118 532032903 /nfs/dbraw/zinc/03/29/03/532032903.db2.gz PQZLVDMMIQOPHQ-UHFFFAOYSA-N 1 2 385.946 2.390 20 0 GEADLO Cc1nsc(N2CCC[N@@H+](CC(=O)NCc3ccc(Cl)s3)CC2)n1 ZINC000173765118 532032908 /nfs/dbraw/zinc/03/29/08/532032908.db2.gz PQZLVDMMIQOPHQ-UHFFFAOYSA-N 1 2 385.946 2.390 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000121545942 532034135 /nfs/dbraw/zinc/03/41/35/532034135.db2.gz CUNXSKFTAMJRSU-GUYCJALGSA-N 1 2 397.313 2.493 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3ccc(Cl)nc3Cl)CC2)S1 ZINC000173801029 532034297 /nfs/dbraw/zinc/03/42/97/532034297.db2.gz LFLNVIHTESESSS-SECBINFHSA-N 1 2 395.337 2.186 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000173897795 532040140 /nfs/dbraw/zinc/04/01/40/532040140.db2.gz MMLFJDQKWYCTAE-CQSZACIVSA-N 1 2 388.917 2.224 20 0 GEADLO C[C@@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000121677766 532041720 /nfs/dbraw/zinc/04/17/20/532041720.db2.gz TVTPCIFNCNPOEB-CYBMUJFWSA-N 1 2 390.311 2.391 20 0 GEADLO Brc1ccc(-c2nnc(CN3CCC[C@@H]3C[NH+]3CCOCC3)o2)o1 ZINC000174014391 532045022 /nfs/dbraw/zinc/04/50/22/532045022.db2.gz SIXFXXNXLRPXMA-GFCCVEGCSA-N 1 2 397.273 2.389 20 0 GEADLO Cc1nc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)no1 ZINC000122263386 532063003 /nfs/dbraw/zinc/06/30/03/532063003.db2.gz ZVBVGANOUGBUGA-LLVKDONJSA-N 1 2 380.246 2.386 20 0 GEADLO Cc1nc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)no1 ZINC000122263386 532063009 /nfs/dbraw/zinc/06/30/09/532063009.db2.gz ZVBVGANOUGBUGA-LLVKDONJSA-N 1 2 380.246 2.386 20 0 GEADLO COc1ccc(Br)c(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000174485070 532066945 /nfs/dbraw/zinc/06/69/45/532066945.db2.gz IOSYZOXXXDQUIB-ZDUSSCGKSA-N 1 2 383.286 2.395 20 0 GEADLO COc1ccc(Br)c(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000174485055 532066994 /nfs/dbraw/zinc/06/69/94/532066994.db2.gz IOSYZOXXXDQUIB-CYBMUJFWSA-N 1 2 383.286 2.395 20 0 GEADLO O=C(COc1ccc(Br)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174477311 532066402 /nfs/dbraw/zinc/06/64/02/532066402.db2.gz DMPCIHFXNIRUFU-HNNXBMFYSA-N 1 2 383.286 2.151 20 0 GEADLO CC(C)(CNC(=O)NCCc1nc(C(F)(F)F)cs1)[NH+]1CCOCC1 ZINC000174507202 532068303 /nfs/dbraw/zinc/06/83/03/532068303.db2.gz FDHBCPGSZYUZRO-UHFFFAOYSA-N 1 2 380.436 2.114 20 0 GEADLO CC[C@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CC[N@@H+]1C[C@@H](C)O ZINC000174617445 532073027 /nfs/dbraw/zinc/07/30/27/532073027.db2.gz ISKZGYNGGXJTPY-YPMHNXCESA-N 1 2 395.301 2.243 20 0 GEADLO CC[C@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CC[N@H+]1C[C@@H](C)O ZINC000174617445 532073031 /nfs/dbraw/zinc/07/30/31/532073031.db2.gz ISKZGYNGGXJTPY-YPMHNXCESA-N 1 2 395.301 2.243 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000122688167 532079513 /nfs/dbraw/zinc/07/95/13/532079513.db2.gz KNSDTWDQMZWPAL-OLZOCXBDSA-N 1 2 378.897 2.253 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000122688167 532079517 /nfs/dbraw/zinc/07/95/17/532079517.db2.gz KNSDTWDQMZWPAL-OLZOCXBDSA-N 1 2 378.897 2.253 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000122766768 532082717 /nfs/dbraw/zinc/08/27/17/532082717.db2.gz ZGWBDOXBWOBMBU-NEPJUHHUSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C[C@@H](C)O ZINC000122766768 532082722 /nfs/dbraw/zinc/08/27/22/532082722.db2.gz ZGWBDOXBWOBMBU-NEPJUHHUSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000122726825 532081440 /nfs/dbraw/zinc/08/14/40/532081440.db2.gz DDJUEXDMKCKOJS-BXUZGUMPSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C[C@@H](C)O ZINC000122726825 532081444 /nfs/dbraw/zinc/08/14/44/532081444.db2.gz DDJUEXDMKCKOJS-BXUZGUMPSA-N 1 2 381.325 2.459 20 0 GEADLO Cn1cc(N2CC[NH+](Cc3nnc(-c4ccc(Br)o4)o3)CC2)cn1 ZINC000174909081 532082271 /nfs/dbraw/zinc/08/22/71/532082271.db2.gz XWBCVNVIPXGSJM-UHFFFAOYSA-N 1 2 393.245 2.148 20 0 GEADLO Cc1cnc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000122879878 532085391 /nfs/dbraw/zinc/08/53/91/532085391.db2.gz OFARWFHOZKASBS-AWEZNQCLSA-N 1 2 381.523 2.323 20 0 GEADLO CNC(=O)CC1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000175008151 532086822 /nfs/dbraw/zinc/08/68/22/532086822.db2.gz JECBQITUVFPJHB-UHFFFAOYSA-N 1 2 383.246 2.440 20 0 GEADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1c(Cl)cccc1Cl ZINC000175019354 532086994 /nfs/dbraw/zinc/08/69/94/532086994.db2.gz USVXAQCHJFZHMC-UHFFFAOYSA-N 1 2 380.279 2.335 20 0 GEADLO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000175220296 532093286 /nfs/dbraw/zinc/09/32/86/532093286.db2.gz NNPCTGYHMWKPSA-UHFFFAOYSA-N 1 2 388.295 2.325 20 0 GEADLO O=C(NCC1CC[NH+](CCO)CC1)c1cc(Cl)cc(Br)c1O ZINC000123244731 532096278 /nfs/dbraw/zinc/09/62/78/532096278.db2.gz IREFFCZANXJFSK-UHFFFAOYSA-N 1 2 391.693 2.242 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)CC1 ZINC000123276123 532098172 /nfs/dbraw/zinc/09/81/72/532098172.db2.gz KIARCIBUNLNXTK-ZDUSSCGKSA-N 1 2 380.432 2.091 20 0 GEADLO CCCS(=O)(=O)CC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123838368 532108759 /nfs/dbraw/zinc/10/87/59/532108759.db2.gz UBYPTTLFEJSCNL-CXAGYDPISA-N 1 2 390.908 2.413 20 0 GEADLO CCCS(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123838368 532108761 /nfs/dbraw/zinc/10/87/61/532108761.db2.gz UBYPTTLFEJSCNL-CXAGYDPISA-N 1 2 390.908 2.413 20 0 GEADLO COC(=O)[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000175630889 532110586 /nfs/dbraw/zinc/11/05/86/532110586.db2.gz OYZSUFHNGZZMLV-LBPRGKRZSA-N 1 2 390.299 2.108 20 0 GEADLO COC(=O)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000175630889 532110592 /nfs/dbraw/zinc/11/05/92/532110592.db2.gz OYZSUFHNGZZMLV-LBPRGKRZSA-N 1 2 390.299 2.108 20 0 GEADLO COc1cc(S(=O)(=O)N2CCOc3cc[nH+]cc32)ccc1Br ZINC000175665503 532111125 /nfs/dbraw/zinc/11/11/25/532111125.db2.gz DXKXGOZOBWEXJA-UHFFFAOYSA-N 1 2 385.239 2.440 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2occc2Br)CC1 ZINC000175946789 532120192 /nfs/dbraw/zinc/12/01/92/532120192.db2.gz OLJRBMVHUKNRRC-UHFFFAOYSA-N 1 2 386.290 2.058 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2occc2Br)CC1 ZINC000175946789 532120194 /nfs/dbraw/zinc/12/01/94/532120194.db2.gz OLJRBMVHUKNRRC-UHFFFAOYSA-N 1 2 386.290 2.058 20 0 GEADLO O=C(c1cc(Br)ccc1O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000124187752 532115813 /nfs/dbraw/zinc/11/58/13/532115813.db2.gz OVXJUCSHCBBSBL-AWEZNQCLSA-N 1 2 383.286 2.482 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccncc1Br ZINC000124615631 532125247 /nfs/dbraw/zinc/12/52/47/532125247.db2.gz AFFAPGNKJIFOTL-HNNXBMFYSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccncc1Br ZINC000124615631 532125252 /nfs/dbraw/zinc/12/52/52/532125252.db2.gz AFFAPGNKJIFOTL-HNNXBMFYSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(Nc1ccc(Br)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000124649246 532126311 /nfs/dbraw/zinc/12/63/11/532126311.db2.gz XWXWXLIARNQCSA-AWEZNQCLSA-N 1 2 389.253 2.178 20 0 GEADLO CN(C(=O)NCCCn1cc[nH+]c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000124747180 532128296 /nfs/dbraw/zinc/12/82/96/532128296.db2.gz FEYXDROZAHWPGE-AWEZNQCLSA-N 1 2 382.873 2.097 20 0 GEADLO CN(C(=O)NCCCn1cc[nH+]c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000124746944 532128467 /nfs/dbraw/zinc/12/84/67/532128467.db2.gz FEYXDROZAHWPGE-CQSZACIVSA-N 1 2 382.873 2.097 20 0 GEADLO COc1nc(N2CCC[N@H+](Cc3cscn3)CC2)ncc1Br ZINC000176243214 532131766 /nfs/dbraw/zinc/13/17/66/532131766.db2.gz CLZJUHXDXFDNBD-UHFFFAOYSA-N 1 2 384.303 2.417 20 0 GEADLO COc1nc(N2CCC[N@@H+](Cc3cscn3)CC2)ncc1Br ZINC000176243214 532131768 /nfs/dbraw/zinc/13/17/68/532131768.db2.gz CLZJUHXDXFDNBD-UHFFFAOYSA-N 1 2 384.303 2.417 20 0 GEADLO O=C(Cc1cccc(Br)c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000125133111 532133201 /nfs/dbraw/zinc/13/32/01/532133201.db2.gz KFIGWIIASJUJJX-QGZVFWFLSA-N 1 2 399.354 2.316 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000176574593 532141555 /nfs/dbraw/zinc/14/15/55/532141555.db2.gz JLNQUMCVFWVNBF-LBPRGKRZSA-N 1 2 386.279 2.240 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000176585946 532141840 /nfs/dbraw/zinc/14/18/40/532141840.db2.gz WKLQUVIPVGRIBC-OAHLLOKOSA-N 1 2 389.323 2.468 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)s2)cs1 ZINC000125945667 532144397 /nfs/dbraw/zinc/14/43/97/532144397.db2.gz MPHOLXVALLPGCR-MFKMUULPSA-N 1 2 387.552 2.177 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)s2)cs1 ZINC000125945667 532144401 /nfs/dbraw/zinc/14/44/01/532144401.db2.gz MPHOLXVALLPGCR-MFKMUULPSA-N 1 2 387.552 2.177 20 0 GEADLO COC(=O)CC1(CS(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000176638778 532144925 /nfs/dbraw/zinc/14/49/25/532144925.db2.gz VKZQCKRNBAEONY-HNNXBMFYSA-N 1 2 388.917 2.205 20 0 GEADLO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3ccc(Br)cc3O)C2)CC1 ZINC000176673875 532145883 /nfs/dbraw/zinc/14/58/83/532145883.db2.gz KOCOJJLHPNCHIM-HNNXBMFYSA-N 1 2 396.329 2.397 20 0 GEADLO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3ccc(Br)cc3O)C2)CC1 ZINC000176673875 532145885 /nfs/dbraw/zinc/14/58/85/532145885.db2.gz KOCOJJLHPNCHIM-HNNXBMFYSA-N 1 2 396.329 2.397 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)Sc3nncn3C)CC2)s1 ZINC000128718212 532166513 /nfs/dbraw/zinc/16/65/13/532166513.db2.gz BUZAKBIEYUHHRU-CYBMUJFWSA-N 1 2 379.555 2.264 20 0 GEADLO CC(C)C(=O)NCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000128711773 532166550 /nfs/dbraw/zinc/16/65/50/532166550.db2.gz VSJAWWCAIHNVDB-MRXNPFEDSA-N 1 2 396.329 2.474 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)C1 ZINC000128769142 532168906 /nfs/dbraw/zinc/16/89/06/532168906.db2.gz IGRDBBQJMHTXBC-GFCCVEGCSA-N 1 2 385.255 2.026 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)C1 ZINC000128769142 532168913 /nfs/dbraw/zinc/16/89/13/532168913.db2.gz IGRDBBQJMHTXBC-GFCCVEGCSA-N 1 2 385.255 2.026 20 0 GEADLO CC(=O)NCCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000177367822 532169252 /nfs/dbraw/zinc/16/92/52/532169252.db2.gz URRSMXJOSWZRLJ-INIZCTEOSA-N 1 2 382.302 2.228 20 0 GEADLO CCN(C(=O)[C@@H](C)[N@@H+]1CCSC2(CCCCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000176929063 532155964 /nfs/dbraw/zinc/15/59/64/532155964.db2.gz SLRPBDGYDYMWCL-HZPDHXFCSA-N 1 2 388.599 2.162 20 0 GEADLO CCN(C(=O)[C@@H](C)[N@H+]1CCSC2(CCCCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000176929063 532155969 /nfs/dbraw/zinc/15/59/69/532155969.db2.gz SLRPBDGYDYMWCL-HZPDHXFCSA-N 1 2 388.599 2.162 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)sc1Br ZINC000176933894 532156208 /nfs/dbraw/zinc/15/62/08/532156208.db2.gz YWHVMSDIZYOYTA-SNVBAGLBSA-N 1 2 397.360 2.066 20 0 GEADLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000177040374 532160206 /nfs/dbraw/zinc/16/02/06/532160206.db2.gz SDNKYXCUXQMECE-NSHDSACASA-N 1 2 381.274 2.237 20 0 GEADLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000177040374 532160208 /nfs/dbraw/zinc/16/02/08/532160208.db2.gz SDNKYXCUXQMECE-NSHDSACASA-N 1 2 381.274 2.237 20 0 GEADLO Cn1ncnc1C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000177100362 532161965 /nfs/dbraw/zinc/16/19/65/532161965.db2.gz FRYIZRQZRPBWQL-UHFFFAOYSA-N 1 2 378.274 2.428 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000128208211 532162529 /nfs/dbraw/zinc/16/25/29/532162529.db2.gz RFWYLUAPPKVJHK-JTQLQIEISA-N 1 2 375.252 2.423 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000128208211 532162531 /nfs/dbraw/zinc/16/25/31/532162531.db2.gz RFWYLUAPPKVJHK-JTQLQIEISA-N 1 2 375.252 2.423 20 0 GEADLO COc1cc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)sc1Br ZINC000130448603 532192526 /nfs/dbraw/zinc/19/25/26/532192526.db2.gz XYKCHHWNSFJCLE-NXEZZACHSA-N 1 2 377.304 2.358 20 0 GEADLO O=C(C[NH+]1CCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1)N1CCCC1 ZINC000131639155 532201163 /nfs/dbraw/zinc/20/11/63/532201163.db2.gz YRAOEQVLCQBHIH-UHFFFAOYSA-N 1 2 384.307 2.303 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000178408098 532200498 /nfs/dbraw/zinc/20/04/98/532200498.db2.gz FIXWESVBYMNCBW-XMMPIXPASA-N 1 2 380.535 2.306 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000178408098 532200499 /nfs/dbraw/zinc/20/04/99/532200499.db2.gz FIXWESVBYMNCBW-XMMPIXPASA-N 1 2 380.535 2.306 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000129900802 532186250 /nfs/dbraw/zinc/18/62/50/532186250.db2.gz ZKVUVNZRYUJCJW-UHFFFAOYSA-N 1 2 379.258 2.441 20 0 GEADLO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)n1 ZINC000177916752 532186451 /nfs/dbraw/zinc/18/64/51/532186451.db2.gz VGUYKYHPCIYLLL-LBPRGKRZSA-N 1 2 382.511 2.056 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+](Cc2cccs2)C2CC2)cc1S(N)(=O)=O ZINC000130054737 532188843 /nfs/dbraw/zinc/18/88/43/532188843.db2.gz SWUJUGYHUIXPHT-UHFFFAOYSA-N 1 2 379.507 2.307 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C2CC2)cc1S(N)(=O)=O ZINC000130054737 532188845 /nfs/dbraw/zinc/18/88/45/532188845.db2.gz SWUJUGYHUIXPHT-UHFFFAOYSA-N 1 2 379.507 2.307 20 0 GEADLO O=C(C[N@@H+]1CCOC[C@H]1C1CC1)Nc1cccc(I)c1 ZINC000132332456 532213931 /nfs/dbraw/zinc/21/39/31/532213931.db2.gz KQNIATGDSKXYCN-AWEZNQCLSA-N 1 2 386.233 2.341 20 0 GEADLO O=C(C[N@H+]1CCOC[C@H]1C1CC1)Nc1cccc(I)c1 ZINC000132332456 532213936 /nfs/dbraw/zinc/21/39/36/532213936.db2.gz KQNIATGDSKXYCN-AWEZNQCLSA-N 1 2 386.233 2.341 20 0 GEADLO COC(=O)C[N@@H+](CCc1ccc(Cl)cc1Cl)CCN1C(=O)CCC1=O ZINC000132394562 532214749 /nfs/dbraw/zinc/21/47/49/532214749.db2.gz NFDYTEUDSTZHRF-UHFFFAOYSA-N 1 2 387.263 2.160 20 0 GEADLO COC(=O)C[N@H+](CCc1ccc(Cl)cc1Cl)CCN1C(=O)CCC1=O ZINC000132394562 532214754 /nfs/dbraw/zinc/21/47/54/532214754.db2.gz NFDYTEUDSTZHRF-UHFFFAOYSA-N 1 2 387.263 2.160 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000178529026 532204054 /nfs/dbraw/zinc/20/40/54/532204054.db2.gz NDPBTSSCGBUHQP-UHFFFAOYSA-N 1 2 383.857 2.349 20 0 GEADLO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000133175358 532228975 /nfs/dbraw/zinc/22/89/75/532228975.db2.gz UUOOPRJUIIZNGQ-OAHLLOKOSA-N 1 2 390.933 2.139 20 0 GEADLO COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000133175358 532228977 /nfs/dbraw/zinc/22/89/77/532228977.db2.gz UUOOPRJUIIZNGQ-OAHLLOKOSA-N 1 2 390.933 2.139 20 0 GEADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc(Br)cc(C(F)(F)F)c1 ZINC000179072723 532221133 /nfs/dbraw/zinc/22/11/33/532221133.db2.gz ZLQRQFCRVCNMSS-CYBMUJFWSA-N 1 2 392.219 2.198 20 0 GEADLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccc(Br)c(O)c1 ZINC000133035339 532225403 /nfs/dbraw/zinc/22/54/03/532225403.db2.gz BBZFHLPWEUXWBB-UHFFFAOYSA-N 1 2 392.253 2.316 20 0 GEADLO CCCNC(=O)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000133725511 532241560 /nfs/dbraw/zinc/24/15/60/532241560.db2.gz DYGKVFFZBHTXHR-INIZCTEOSA-N 1 2 382.302 2.228 20 0 GEADLO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C1 ZINC000133719135 532241739 /nfs/dbraw/zinc/24/17/39/532241739.db2.gz OFPXNRRNBGMJGJ-OAHLLOKOSA-N 1 2 379.507 2.373 20 0 GEADLO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Br)cc(Cl)c1O ZINC000133851829 532244063 /nfs/dbraw/zinc/24/40/63/532244063.db2.gz DQJPCZXGCNHQGA-UHFFFAOYSA-N 1 2 391.693 2.385 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)c(Br)n1 ZINC000179841561 532246850 /nfs/dbraw/zinc/24/68/50/532246850.db2.gz HMLDMVKDGIUJJM-UHFFFAOYSA-N 1 2 392.257 2.151 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000134328061 532253497 /nfs/dbraw/zinc/25/34/97/532253497.db2.gz VUOZFVXNRJDRNV-CQSZACIVSA-N 1 2 384.889 2.292 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000134328061 532253501 /nfs/dbraw/zinc/25/35/01/532253501.db2.gz VUOZFVXNRJDRNV-CQSZACIVSA-N 1 2 384.889 2.292 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCCCn2cc[nH+]c2)c(Cl)cc1Cl ZINC000179586654 532237087 /nfs/dbraw/zinc/23/70/87/532237087.db2.gz WQFDJQIXOUQQPR-UHFFFAOYSA-N 1 2 392.264 2.345 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000134329852 532254677 /nfs/dbraw/zinc/25/46/77/532254677.db2.gz DIJHFZWVLRYNEF-CQSZACIVSA-N 1 2 391.331 2.360 20 0 GEADLO COc1ccc(Br)cc1C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000134329852 532254682 /nfs/dbraw/zinc/25/46/82/532254682.db2.gz DIJHFZWVLRYNEF-CQSZACIVSA-N 1 2 391.331 2.360 20 0 GEADLO CC[C@@H](CSC)[N@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000180676567 532277831 /nfs/dbraw/zinc/27/78/31/532277831.db2.gz NIRNJMXMQCIGGI-DOTOQJQBSA-N 1 2 390.615 2.408 20 0 GEADLO CC[C@@H](CSC)[N@@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000180676567 532277834 /nfs/dbraw/zinc/27/78/34/532277834.db2.gz NIRNJMXMQCIGGI-DOTOQJQBSA-N 1 2 390.615 2.408 20 0 GEADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135742669 532278856 /nfs/dbraw/zinc/27/88/56/532278856.db2.gz OIIVPPKGCOLIHJ-STQMWFEESA-N 1 2 382.511 2.359 20 0 GEADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135742669 532278859 /nfs/dbraw/zinc/27/88/59/532278859.db2.gz OIIVPPKGCOLIHJ-STQMWFEESA-N 1 2 382.511 2.359 20 0 GEADLO COC(=O)c1cc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c[nH]1 ZINC000136967113 532288752 /nfs/dbraw/zinc/28/87/52/532288752.db2.gz CWGQIGJFUVMZDM-AWEZNQCLSA-N 1 2 380.242 2.222 20 0 GEADLO COC(=O)c1cc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c[nH]1 ZINC000136967113 532288753 /nfs/dbraw/zinc/28/87/53/532288753.db2.gz CWGQIGJFUVMZDM-AWEZNQCLSA-N 1 2 380.242 2.222 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)ccc1Br ZINC000138982725 532291840 /nfs/dbraw/zinc/29/18/40/532291840.db2.gz SNACAOCETWMWKI-CQSZACIVSA-N 1 2 395.301 2.186 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)ccc1Br ZINC000138982725 532291843 /nfs/dbraw/zinc/29/18/43/532291843.db2.gz SNACAOCETWMWKI-CQSZACIVSA-N 1 2 395.301 2.186 20 0 GEADLO Cn1c(CS(=O)(=O)Cc2cn3cc(Cl)ccc3[nH+]2)nnc1C1CCC1 ZINC000181263089 532294652 /nfs/dbraw/zinc/29/46/52/532294652.db2.gz NGFMXVUDNSCXKH-UHFFFAOYSA-N 1 2 379.873 2.499 20 0 GEADLO CC(C)(C)n1ncc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(Cl)c1=O ZINC000142644518 532296165 /nfs/dbraw/zinc/29/61/65/532296165.db2.gz ROSDUMTYQOGZQR-KRWDZBQOSA-N 1 2 386.949 2.272 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000181555874 532301431 /nfs/dbraw/zinc/30/14/31/532301431.db2.gz MICXRSKQKLMQPY-SNVBAGLBSA-N 1 2 383.333 2.033 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000181555874 532301435 /nfs/dbraw/zinc/30/14/35/532301435.db2.gz MICXRSKQKLMQPY-SNVBAGLBSA-N 1 2 383.333 2.033 20 0 GEADLO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000181690400 532305062 /nfs/dbraw/zinc/30/50/62/532305062.db2.gz NPVXYAYPJVOTCN-AWEZNQCLSA-N 1 2 375.281 2.062 20 0 GEADLO CS(=O)(=O)C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000181769063 532305863 /nfs/dbraw/zinc/30/58/63/532305863.db2.gz NSNKSXHCLBOAMP-KRWDZBQOSA-N 1 2 380.897 2.332 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH+](CCO[C@H]3CCCCO3)CC2)c(C)s1 ZINC000181752981 532305951 /nfs/dbraw/zinc/30/59/51/532305951.db2.gz XGTSZCIVKIDJFH-KRWDZBQOSA-N 1 2 388.555 2.214 20 0 GEADLO Cc1[nH]cc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(=O)c1Br ZINC000183205098 532322243 /nfs/dbraw/zinc/32/22/43/532322243.db2.gz MLDPZJATCFKRNZ-CYBMUJFWSA-N 1 2 398.301 2.043 20 0 GEADLO CN(C)c1[nH+]cccc1NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183212452 532322328 /nfs/dbraw/zinc/32/23/28/532322328.db2.gz MZCXPJCMXBJHDV-UHFFFAOYSA-N 1 2 391.225 2.493 20 0 GEADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000185033781 532336643 /nfs/dbraw/zinc/33/66/43/532336643.db2.gz PJTCMURHTDXZNT-DZGCQCFKSA-N 1 2 385.555 2.060 20 0 GEADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000185100247 532336958 /nfs/dbraw/zinc/33/69/58/532336958.db2.gz ITKNDUGPNHIDQF-SHZVTRLKSA-N 1 2 382.917 2.222 20 0 GEADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000185100247 532336959 /nfs/dbraw/zinc/33/69/59/532336959.db2.gz ITKNDUGPNHIDQF-SHZVTRLKSA-N 1 2 382.917 2.222 20 0 GEADLO CSc1nc(=O)[nH]c(C)c1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185384725 532337802 /nfs/dbraw/zinc/33/78/02/532337802.db2.gz YEZBAVRRYHXCGP-GFCCVEGCSA-N 1 2 378.523 2.381 20 0 GEADLO COCCC[N@H+](Cc1nc2ccc(OC)cc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000187244955 532343685 /nfs/dbraw/zinc/34/36/85/532343685.db2.gz LHBASOOJLOCIQN-ZDUSSCGKSA-N 1 2 384.523 2.331 20 0 GEADLO COCCC[N@@H+](Cc1nc2ccc(OC)cc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000187244955 532343686 /nfs/dbraw/zinc/34/36/86/532343686.db2.gz LHBASOOJLOCIQN-ZDUSSCGKSA-N 1 2 384.523 2.331 20 0 GEADLO Cn1c(=O)cc(C[N@@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)n(C)c1=O ZINC000185638931 532338165 /nfs/dbraw/zinc/33/81/65/532338165.db2.gz PRLKWGYIOZVVKI-HNNXBMFYSA-N 1 2 396.260 2.323 20 0 GEADLO Cn1c(=O)cc(C[N@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)n(C)c1=O ZINC000185638931 532338166 /nfs/dbraw/zinc/33/81/66/532338166.db2.gz PRLKWGYIOZVVKI-HNNXBMFYSA-N 1 2 396.260 2.323 20 0 GEADLO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000185608957 532338194 /nfs/dbraw/zinc/33/81/94/532338194.db2.gz WJZCIBXHPULUKY-BFYDXBDKSA-N 1 2 384.567 2.384 20 0 GEADLO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000185608957 532338195 /nfs/dbraw/zinc/33/81/95/532338195.db2.gz WJZCIBXHPULUKY-BFYDXBDKSA-N 1 2 384.567 2.384 20 0 GEADLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CC1 ZINC000185619590 532338247 /nfs/dbraw/zinc/33/82/47/532338247.db2.gz BNBZRROHSRAJFP-UHFFFAOYSA-N 1 2 378.947 2.405 20 0 GEADLO CSc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1Cl ZINC000185658972 532338330 /nfs/dbraw/zinc/33/83/30/532338330.db2.gz VSYHYZFVYNLEDI-GFCCVEGCSA-N 1 2 376.931 2.203 20 0 GEADLO CSc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1Cl ZINC000185658972 532338331 /nfs/dbraw/zinc/33/83/31/532338331.db2.gz VSYHYZFVYNLEDI-GFCCVEGCSA-N 1 2 376.931 2.203 20 0 GEADLO CSc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1Cl ZINC000185770332 532338637 /nfs/dbraw/zinc/33/86/37/532338637.db2.gz BWXLQTHPQSBLMR-CYBMUJFWSA-N 1 2 391.990 2.224 20 0 GEADLO Cc1cc(S(=O)(=O)N(C)c2ccc(N3CCOCC3)[nH+]c2)cnc1Cl ZINC000185821842 532338934 /nfs/dbraw/zinc/33/89/34/532338934.db2.gz DHCZBNKMTVSGEA-UHFFFAOYSA-N 1 2 382.873 2.100 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000185981082 532339462 /nfs/dbraw/zinc/33/94/62/532339462.db2.gz KLIQZICMYPUNGK-UHFFFAOYSA-N 1 2 386.290 2.002 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186855985 532342258 /nfs/dbraw/zinc/34/22/58/532342258.db2.gz UXAXXUBQELHWFQ-ZANVPECISA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186855985 532342259 /nfs/dbraw/zinc/34/22/59/532342259.db2.gz UXAXXUBQELHWFQ-ZANVPECISA-N 1 2 375.252 2.421 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183747718 532328734 /nfs/dbraw/zinc/32/87/34/532328734.db2.gz UTTBKEKSXZOQLV-SNVBAGLBSA-N 1 2 377.297 2.487 20 0 GEADLO CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184245437 532331376 /nfs/dbraw/zinc/33/13/76/532331376.db2.gz XHLWYRJLPKOJJK-ZDUSSCGKSA-N 1 2 380.539 2.329 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)CCCS(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000184830643 532334894 /nfs/dbraw/zinc/33/48/94/532334894.db2.gz YWQXCOIYVGXIAL-AWEZNQCLSA-N 1 2 380.432 2.249 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1ccc(Br)cc1Cl ZINC000189088676 532350747 /nfs/dbraw/zinc/35/07/47/532350747.db2.gz JFNWLVGTEXIRCQ-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1ccc(Br)cc1Cl ZINC000189088676 532350748 /nfs/dbraw/zinc/35/07/48/532350748.db2.gz JFNWLVGTEXIRCQ-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000189476126 532352434 /nfs/dbraw/zinc/35/24/34/532352434.db2.gz FHHUQBQBSLNZAU-UHFFFAOYSA-N 1 2 385.288 2.210 20 0 GEADLO COCCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000189725203 532353468 /nfs/dbraw/zinc/35/34/68/532353468.db2.gz ZVIFMCPMGAQTEV-LBPRGKRZSA-N 1 2 375.238 2.264 20 0 GEADLO COCCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000189725203 532353469 /nfs/dbraw/zinc/35/34/69/532353469.db2.gz ZVIFMCPMGAQTEV-LBPRGKRZSA-N 1 2 375.238 2.264 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000190391715 532355848 /nfs/dbraw/zinc/35/58/48/532355848.db2.gz NXAZLWPVGUNLKV-TVQRCGJNSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000190391715 532355849 /nfs/dbraw/zinc/35/58/49/532355849.db2.gz NXAZLWPVGUNLKV-TVQRCGJNSA-N 1 2 375.252 2.421 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000190378376 532355853 /nfs/dbraw/zinc/35/58/53/532355853.db2.gz UBJFDKXGSGRARH-KGLIPLIRSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000190378376 532355854 /nfs/dbraw/zinc/35/58/54/532355854.db2.gz UBJFDKXGSGRARH-KGLIPLIRSA-N 1 2 376.469 2.398 20 0 GEADLO CCN(C(=O)C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000463444354 532372964 /nfs/dbraw/zinc/37/29/64/532372964.db2.gz RGWZOOMATZNQDN-MJBXVCDLSA-N 1 2 384.464 2.075 20 0 GEADLO CCN(C(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000463444354 532372971 /nfs/dbraw/zinc/37/29/71/532372971.db2.gz RGWZOOMATZNQDN-MJBXVCDLSA-N 1 2 384.464 2.075 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000425202732 532373204 /nfs/dbraw/zinc/37/32/04/532373204.db2.gz LBPZOSHFFKWVSV-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO COc1ccc(Cl)cc1C(C)(C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000425212748 532375411 /nfs/dbraw/zinc/37/54/11/532375411.db2.gz WVPHMWGFTLZUNB-UHFFFAOYSA-N 1 2 390.933 2.225 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)CCCCOC)CC2)cs1 ZINC000372235899 532378368 /nfs/dbraw/zinc/37/83/68/532378368.db2.gz KCUUTUFBLRVWBY-UHFFFAOYSA-N 1 2 389.587 2.264 20 0 GEADLO COC(=O)c1cn(C2CC[NH+](Cc3ccnc(Br)c3)CC2)nn1 ZINC000294474769 532362018 /nfs/dbraw/zinc/36/20/18/532362018.db2.gz GYAGTBKLGOYQLY-UHFFFAOYSA-N 1 2 380.246 2.059 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000294495431 532363016 /nfs/dbraw/zinc/36/30/16/532363016.db2.gz SLBYZOFCBUGHGH-NSHDSACASA-N 1 2 394.273 2.391 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000294495431 532363023 /nfs/dbraw/zinc/36/30/23/532363023.db2.gz SLBYZOFCBUGHGH-NSHDSACASA-N 1 2 394.273 2.391 20 0 GEADLO O=C(N[C@H]1CN(c2ccc(Br)cc2)C1=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000647015850 532363367 /nfs/dbraw/zinc/36/33/67/532363367.db2.gz VZELNRLXLCPYKK-JSGCOSHPSA-N 1 2 389.253 2.124 20 0 GEADLO O=C(N[C@H]1CN(c2ccc(Br)cc2)C1=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000647015850 532363372 /nfs/dbraw/zinc/36/33/72/532363372.db2.gz VZELNRLXLCPYKK-JSGCOSHPSA-N 1 2 389.253 2.124 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000294525063 532364495 /nfs/dbraw/zinc/36/44/95/532364495.db2.gz GJWXMWABEVVYKF-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000294525063 532364500 /nfs/dbraw/zinc/36/45/00/532364500.db2.gz GJWXMWABEVVYKF-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO O=C(CSc1ccc(C(F)(F)F)cn1)NCC1([NH+]2CCOCC2)CC1 ZINC000277877597 532364635 /nfs/dbraw/zinc/36/46/35/532364635.db2.gz KQUIIBNPIYMJBZ-UHFFFAOYSA-N 1 2 375.416 2.174 20 0 GEADLO C[C@@H](C(=O)NCc1cccs1)[S@@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000463024987 532365862 /nfs/dbraw/zinc/36/58/62/532365862.db2.gz ZZAHWSSOFCLORA-JUZXBQNTSA-N 1 2 379.429 2.461 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3cc(Br)cc(Cl)c3O)C[C@H]2[NH3+])cn1 ZINC000647096429 532365982 /nfs/dbraw/zinc/36/59/82/532365982.db2.gz YZRAPOWAPJMZJP-WCQYABFASA-N 1 2 399.676 2.109 20 0 GEADLO C[C@H](CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)S(C)(=O)=O ZINC000677162823 532366371 /nfs/dbraw/zinc/36/63/71/532366371.db2.gz IOMCLWJQJTWRCL-CZUORRHYSA-N 1 2 387.933 2.209 20 0 GEADLO CC[C@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CCO1 ZINC000515548563 532367959 /nfs/dbraw/zinc/36/79/59/532367959.db2.gz GZWCJKURGKXOLM-HNNXBMFYSA-N 1 2 385.302 2.397 20 0 GEADLO CC[C@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CCO1 ZINC000515548563 532367970 /nfs/dbraw/zinc/36/79/70/532367970.db2.gz GZWCJKURGKXOLM-HNNXBMFYSA-N 1 2 385.302 2.397 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000425197468 532371643 /nfs/dbraw/zinc/37/16/43/532371643.db2.gz BRFNIYVOTRWAHT-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO O=C1C[C@H]([N@@H+]2CC[C@@H](n3cncn3)C2)C(=O)N1c1cccc(Cl)c1Cl ZINC000372268713 532379861 /nfs/dbraw/zinc/37/98/61/532379861.db2.gz RQHHHMMEWPXXKC-MFKMUULPSA-N 1 2 380.235 2.164 20 0 GEADLO O=C1C[C@H]([N@H+]2CC[C@@H](n3cncn3)C2)C(=O)N1c1cccc(Cl)c1Cl ZINC000372268713 532379865 /nfs/dbraw/zinc/37/98/65/532379865.db2.gz RQHHHMMEWPXXKC-MFKMUULPSA-N 1 2 380.235 2.164 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000278415249 532380169 /nfs/dbraw/zinc/38/01/69/532380169.db2.gz YODZKNUIVCFVGV-IUODEOHRSA-N 1 2 388.295 2.487 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000278415249 532380174 /nfs/dbraw/zinc/38/01/74/532380174.db2.gz YODZKNUIVCFVGV-IUODEOHRSA-N 1 2 388.295 2.487 20 0 GEADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)c1cc(Br)cc2ccccc21 ZINC000425285297 532380647 /nfs/dbraw/zinc/38/06/47/532380647.db2.gz GEQMUVUTUMQYBZ-HNNXBMFYSA-N 1 2 393.281 2.025 20 0 GEADLO CCN(CC)C(=O)C[N@H+](C)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192059972 532381837 /nfs/dbraw/zinc/38/18/37/532381837.db2.gz XSYHUTTVIKLAHU-OAHLLOKOSA-N 1 2 382.302 2.355 20 0 GEADLO CCN(CC)C(=O)C[N@@H+](C)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192059972 532381840 /nfs/dbraw/zinc/38/18/40/532381840.db2.gz XSYHUTTVIKLAHU-OAHLLOKOSA-N 1 2 382.302 2.355 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)s1 ZINC000463848286 532383164 /nfs/dbraw/zinc/38/31/64/532383164.db2.gz IIXPFPHCDUHHKC-UHFFFAOYSA-N 1 2 377.447 2.403 20 0 GEADLO CO[C@H](c1ccccc1Cl)[C@@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463850161 532383286 /nfs/dbraw/zinc/38/32/86/532383286.db2.gz LWDCSFJFKQFIMS-PBHICJAKSA-N 1 2 390.933 2.058 20 0 GEADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCSC2)CC1 ZINC000558076829 532383380 /nfs/dbraw/zinc/38/33/80/532383380.db2.gz IZJQTXPEKBAXGK-ZIAGYGMSSA-N 1 2 381.929 2.167 20 0 GEADLO CN(CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C(=O)c1ccc(Br)o1 ZINC000590726652 532384104 /nfs/dbraw/zinc/38/41/04/532384104.db2.gz GSWACCRKWOGRMZ-GFCCVEGCSA-N 1 2 395.257 2.174 20 0 GEADLO O=C1[C@H]([N@H+](CCO)Cc2cccnc2)CCN1c1cccc(Br)c1 ZINC000192074431 532384366 /nfs/dbraw/zinc/38/43/66/532384366.db2.gz VSTOAFFRYWRTME-QGZVFWFLSA-N 1 2 390.281 2.444 20 0 GEADLO O=C1[C@H]([N@@H+](CCO)Cc2cccnc2)CCN1c1cccc(Br)c1 ZINC000192074431 532384370 /nfs/dbraw/zinc/38/43/70/532384370.db2.gz VSTOAFFRYWRTME-QGZVFWFLSA-N 1 2 390.281 2.444 20 0 GEADLO CC(C)[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000463873445 532384688 /nfs/dbraw/zinc/38/46/88/532384688.db2.gz ZVWIKDFXIYVTDC-QGZVFWFLSA-N 1 2 376.469 2.304 20 0 GEADLO CC[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000677884483 532385219 /nfs/dbraw/zinc/38/52/19/532385219.db2.gz RECHXTSABHNIPN-ZDUSSCGKSA-N 1 2 384.318 2.206 20 0 GEADLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000677884483 532385225 /nfs/dbraw/zinc/38/52/25/532385225.db2.gz RECHXTSABHNIPN-ZDUSSCGKSA-N 1 2 384.318 2.206 20 0 GEADLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623301182 532385382 /nfs/dbraw/zinc/38/53/82/532385382.db2.gz GMMSWYSPZOYYLD-XHDPSFHLSA-N 1 2 380.901 2.484 20 0 GEADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2cccc(Br)c2)C[C@H]1O ZINC000558107195 532385475 /nfs/dbraw/zinc/38/54/75/532385475.db2.gz SHCYISCUPLNTLM-JKSUJKDBSA-N 1 2 399.329 2.268 20 0 GEADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2cccc(Br)c2)C[C@H]1O ZINC000558107195 532385480 /nfs/dbraw/zinc/38/54/80/532385480.db2.gz SHCYISCUPLNTLM-JKSUJKDBSA-N 1 2 399.329 2.268 20 0 GEADLO COc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc(Br)c1OC ZINC000623301779 532386529 /nfs/dbraw/zinc/38/65/29/532386529.db2.gz SYHXMPBJALHNPB-NSHDSACASA-N 1 2 380.242 2.408 20 0 GEADLO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302783 532386684 /nfs/dbraw/zinc/38/66/84/532386684.db2.gz PBRYDMMUQPXKCD-GHMZBOCLSA-N 1 2 381.263 2.439 20 0 GEADLO CCOC(=O)C1([S@@](C)=O)CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000294846644 532387789 /nfs/dbraw/zinc/38/77/89/532387789.db2.gz RSGCECRZORIHGE-RUZDIDTESA-N 1 2 383.901 2.264 20 0 GEADLO Clc1cnn2cc(CCNc3cc(N4CCSCC4)nc[nH+]3)cnc12 ZINC000295012996 532395659 /nfs/dbraw/zinc/39/56/59/532395659.db2.gz TWPGIQVRXDVOMZ-UHFFFAOYSA-N 1 2 375.889 2.381 20 0 GEADLO Clc1cnn2cc(CCNc3cc(N4CCSCC4)[nH+]cn3)cnc12 ZINC000295012996 532395665 /nfs/dbraw/zinc/39/56/65/532395665.db2.gz TWPGIQVRXDVOMZ-UHFFFAOYSA-N 1 2 375.889 2.381 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000192143794 532389299 /nfs/dbraw/zinc/38/92/99/532389299.db2.gz IMQPXJOXUOOOGC-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO C[C@H]1C[C@H]([NH2+]Cc2ncc(Br)cc2F)C(=O)N1c1cnn(C)c1 ZINC000623436521 532389910 /nfs/dbraw/zinc/38/99/10/532389910.db2.gz VTGVYPRDZJJHCR-ZANVPECISA-N 1 2 382.237 2.000 20 0 GEADLO COCC[C@H](C)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000464200104 532392165 /nfs/dbraw/zinc/39/21/65/532392165.db2.gz QIFPVKTVSIQONS-XKQJLSEDSA-N 1 2 390.933 2.056 20 0 GEADLO COCC[C@H](C)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000464200104 532392168 /nfs/dbraw/zinc/39/21/68/532392168.db2.gz QIFPVKTVSIQONS-XKQJLSEDSA-N 1 2 390.933 2.056 20 0 GEADLO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)c(F)cc2O)C1 ZINC000648280382 532392432 /nfs/dbraw/zinc/39/24/32/532392432.db2.gz PSZQPQKNAQWDRW-SNVBAGLBSA-N 1 2 375.238 2.134 20 0 GEADLO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(Br)c(F)cc2O)C1 ZINC000648280382 532392438 /nfs/dbraw/zinc/39/24/38/532392438.db2.gz PSZQPQKNAQWDRW-SNVBAGLBSA-N 1 2 375.238 2.134 20 0 GEADLO Cc1c(Cl)c(C(=O)N2CCC(n3cc[nH+]c3)CC2)sc1S(N)(=O)=O ZINC000279256458 532392753 /nfs/dbraw/zinc/39/27/53/532392753.db2.gz UKTAFWFFZYXYSP-UHFFFAOYSA-N 1 2 388.902 2.031 20 0 GEADLO COCCC[N@H+](Cc1cccc(C(=O)OC)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000294951310 532393079 /nfs/dbraw/zinc/39/30/79/532393079.db2.gz MNYXCRBMIAEBSM-CQSZACIVSA-N 1 2 389.901 2.152 20 0 GEADLO COCCC[N@@H+](Cc1cccc(C(=O)OC)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000294951310 532393084 /nfs/dbraw/zinc/39/30/84/532393084.db2.gz MNYXCRBMIAEBSM-CQSZACIVSA-N 1 2 389.901 2.152 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]2COC[C@@H]21)Nc1ccc(I)cc1 ZINC000590972475 532394105 /nfs/dbraw/zinc/39/41/05/532394105.db2.gz YFLZWGJRJAEXSP-RISCZKNCSA-N 1 2 386.233 2.341 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]2COC[C@@H]21)Nc1ccc(I)cc1 ZINC000590972475 532394109 /nfs/dbraw/zinc/39/41/09/532394109.db2.gz YFLZWGJRJAEXSP-RISCZKNCSA-N 1 2 386.233 2.341 20 0 GEADLO CCC[N@H+](Cc1cc(Br)ccc1C(=O)OC)[C@H]1CC(=O)N(C)C1=O ZINC000558728671 532398794 /nfs/dbraw/zinc/39/87/94/532398794.db2.gz ZMPRXKSWHQPXDO-AWEZNQCLSA-N 1 2 397.269 2.205 20 0 GEADLO CCC[N@@H+](Cc1cc(Br)ccc1C(=O)OC)[C@H]1CC(=O)N(C)C1=O ZINC000558728671 532398799 /nfs/dbraw/zinc/39/87/99/532398799.db2.gz ZMPRXKSWHQPXDO-AWEZNQCLSA-N 1 2 397.269 2.205 20 0 GEADLO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000648822111 532403558 /nfs/dbraw/zinc/40/35/58/532403558.db2.gz KYHYXFYHPHTDLP-NVXWUHKLSA-N 1 2 379.298 2.412 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C)S(=O)(=O)CC1)c1ccsc1 ZINC000192304251 532401463 /nfs/dbraw/zinc/40/14/63/532401463.db2.gz SPNXBFAFKGHZLQ-ZBFHGGJFSA-N 1 2 387.571 2.350 20 0 GEADLO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000679472730 532405053 /nfs/dbraw/zinc/40/50/53/532405053.db2.gz YYLVDFKQYFGKCV-HZPDHXFCSA-N 1 2 393.336 2.354 20 0 GEADLO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000464770409 532405568 /nfs/dbraw/zinc/40/55/68/532405568.db2.gz KERYCGUPFWUART-IXDOHACOSA-N 1 2 390.615 2.264 20 0 GEADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000464770409 532405570 /nfs/dbraw/zinc/40/55/70/532405570.db2.gz KERYCGUPFWUART-IXDOHACOSA-N 1 2 390.615 2.264 20 0 GEADLO CCC[N@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000192543148 532405670 /nfs/dbraw/zinc/40/56/70/532405670.db2.gz VQCITADDDQTXDL-CZUORRHYSA-N 1 2 388.892 2.484 20 0 GEADLO CCC[N@@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000192543148 532405675 /nfs/dbraw/zinc/40/56/75/532405675.db2.gz VQCITADDDQTXDL-CZUORRHYSA-N 1 2 388.892 2.484 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000295128754 532406178 /nfs/dbraw/zinc/40/61/78/532406178.db2.gz BZYZVBQGNLAMCZ-WDEREUQCSA-N 1 2 395.257 2.332 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000295128754 532406186 /nfs/dbraw/zinc/40/61/86/532406186.db2.gz BZYZVBQGNLAMCZ-WDEREUQCSA-N 1 2 395.257 2.332 20 0 GEADLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000372741217 532406230 /nfs/dbraw/zinc/40/62/30/532406230.db2.gz NSFIPNGQNIWWLI-SNVBAGLBSA-N 1 2 399.257 2.303 20 0 GEADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000372741217 532406237 /nfs/dbraw/zinc/40/62/37/532406237.db2.gz NSFIPNGQNIWWLI-SNVBAGLBSA-N 1 2 399.257 2.303 20 0 GEADLO CCSCC[C@H](C)[N@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000464861304 532406240 /nfs/dbraw/zinc/40/62/40/532406240.db2.gz SYWIIEOHCGZIEO-DOTOQJQBSA-N 1 2 390.615 2.408 20 0 GEADLO CCSCC[C@H](C)[N@@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000464861304 532406245 /nfs/dbraw/zinc/40/62/45/532406245.db2.gz SYWIIEOHCGZIEO-DOTOQJQBSA-N 1 2 390.615 2.408 20 0 GEADLO C[C@@H]1CN(c2ccc(CNS(=O)(=O)CCC(F)(F)F)c[nH+]2)C[C@@H](C)O1 ZINC000560040463 532409927 /nfs/dbraw/zinc/40/99/27/532409927.db2.gz LHKCWDPSHGNHJZ-VXGBXAGGSA-N 1 2 381.420 2.067 20 0 GEADLO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427039956 532410129 /nfs/dbraw/zinc/41/01/29/532410129.db2.gz CYEKHEZDERIUEZ-ZDUSSCGKSA-N 1 2 391.269 2.278 20 0 GEADLO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000680132877 532410352 /nfs/dbraw/zinc/41/03/52/532410352.db2.gz XPTYPBRTQQLXSV-GFCCVEGCSA-N 1 2 375.281 2.241 20 0 GEADLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccncc2Br)CC1 ZINC000625135874 532412566 /nfs/dbraw/zinc/41/25/66/532412566.db2.gz HLNYSOIIVDFFDA-AWEZNQCLSA-N 1 2 395.345 2.409 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1csc(Br)c1 ZINC000591601801 532413727 /nfs/dbraw/zinc/41/37/27/532413727.db2.gz WNCLKPYLKDUKNJ-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1csc(Br)c1 ZINC000591601801 532413735 /nfs/dbraw/zinc/41/37/35/532413735.db2.gz WNCLKPYLKDUKNJ-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000295181261 532413989 /nfs/dbraw/zinc/41/39/89/532413989.db2.gz IRIOGZWLNVXOKV-QMMMGPOBSA-N 1 2 379.667 2.061 20 0 GEADLO COc1cc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c(Br)cc1O ZINC000649195873 532416584 /nfs/dbraw/zinc/41/65/84/532416584.db2.gz XKURNYRVLZSYGT-JTQLQIEISA-N 1 2 380.242 2.239 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)CCc1c[nH+]cn1C ZINC000193043177 532418503 /nfs/dbraw/zinc/41/85/03/532418503.db2.gz TWFVTMCHFSWIOX-UHFFFAOYSA-N 1 2 379.258 2.179 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000280945333 532418325 /nfs/dbraw/zinc/41/83/25/532418325.db2.gz SVOMMQRHVPRHCQ-DOMZBBRYSA-N 1 2 382.302 2.179 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000280945333 532418331 /nfs/dbraw/zinc/41/83/31/532418331.db2.gz SVOMMQRHVPRHCQ-DOMZBBRYSA-N 1 2 382.302 2.179 20 0 GEADLO Cc1cc(Br)ccc1S(=O)(=O)Nc1ccnn1CC[NH+](C)C ZINC000295218086 532420992 /nfs/dbraw/zinc/42/09/92/532420992.db2.gz QPKQQZBPCNKYAX-UHFFFAOYSA-N 1 2 387.303 2.316 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)NC[C@H]1CCC[C@@H](O)C1 ZINC000465716697 532419338 /nfs/dbraw/zinc/41/93/38/532419338.db2.gz WAASAXKKUYBKJB-SMDDNHRTSA-N 1 2 381.274 2.447 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)C[C@H]1C ZINC000680626011 532419625 /nfs/dbraw/zinc/41/96/25/532419625.db2.gz QJVQXPBPJKQGPG-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)C[C@H]1C ZINC000680626011 532419629 /nfs/dbraw/zinc/41/96/29/532419629.db2.gz QJVQXPBPJKQGPG-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC(C)(C)CNC(=O)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000625364875 532420088 /nfs/dbraw/zinc/42/00/88/532420088.db2.gz MEAXIOHLXIYAHE-UHFFFAOYSA-N 1 2 379.452 2.231 20 0 GEADLO CC(C)(C)CNC(=O)C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000625364875 532420093 /nfs/dbraw/zinc/42/00/93/532420093.db2.gz MEAXIOHLXIYAHE-UHFFFAOYSA-N 1 2 379.452 2.231 20 0 GEADLO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000372934377 532420681 /nfs/dbraw/zinc/42/06/81/532420681.db2.gz LWTGKJYVZZBPAY-HUUCEWRRSA-N 1 2 392.297 2.175 20 0 GEADLO C[C@@H](c1nccs1)[NH+]1CCN(c2cc(Br)cnc2C(N)=O)CC1 ZINC000681149430 532421865 /nfs/dbraw/zinc/42/18/65/532421865.db2.gz QWVZJGCZNUYUAU-JTQLQIEISA-N 1 2 396.314 2.283 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C2)o1 ZINC000295262110 532427949 /nfs/dbraw/zinc/42/79/49/532427949.db2.gz HBLPPCTZZZRIDQ-ZWNOBZJWSA-N 1 2 386.221 2.178 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C2)o1 ZINC000295262110 532427954 /nfs/dbraw/zinc/42/79/54/532427954.db2.gz HBLPPCTZZZRIDQ-ZWNOBZJWSA-N 1 2 386.221 2.178 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N(CCO)C1CCC1 ZINC000517872557 532428292 /nfs/dbraw/zinc/42/82/92/532428292.db2.gz PEAXYIGFVOHUMJ-UHFFFAOYSA-N 1 2 399.289 2.059 20 0 GEADLO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000427622345 532428521 /nfs/dbraw/zinc/42/85/21/532428521.db2.gz RAUVXSZMOQLTQN-SWLSCSKDSA-N 1 2 379.507 2.277 20 0 GEADLO COC(=O)[C@@H](C)CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561045873 532427020 /nfs/dbraw/zinc/42/70/20/532427020.db2.gz YIZINJXHFOOMEC-LBPRGKRZSA-N 1 2 398.257 2.467 20 0 GEADLO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000517960284 532431866 /nfs/dbraw/zinc/43/18/66/532431866.db2.gz LGCFVLAELXUOFK-UHFFFAOYSA-N 1 2 392.301 2.330 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000626168487 532435607 /nfs/dbraw/zinc/43/56/07/532435607.db2.gz TUWIKFQQPOYOCF-LLVKDONJSA-N 1 2 394.324 2.193 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000626168487 532435614 /nfs/dbraw/zinc/43/56/14/532435614.db2.gz TUWIKFQQPOYOCF-LLVKDONJSA-N 1 2 394.324 2.193 20 0 GEADLO Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1Cl ZINC000681694138 532435751 /nfs/dbraw/zinc/43/57/51/532435751.db2.gz HVHHBCBTVSWOSZ-LLVKDONJSA-N 1 2 381.325 2.297 20 0 GEADLO Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1Cl ZINC000681694138 532435757 /nfs/dbraw/zinc/43/57/57/532435757.db2.gz HVHHBCBTVSWOSZ-LLVKDONJSA-N 1 2 381.325 2.297 20 0 GEADLO COc1cc(Br)c(CS(=O)(=O)Cc2[nH+]ccn2C)cc1OC ZINC000518074943 532435850 /nfs/dbraw/zinc/43/58/50/532435850.db2.gz DNGMAERPKNTMIJ-UHFFFAOYSA-N 1 2 389.271 2.315 20 0 GEADLO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)CCc1c[nH+]c[nH]1 ZINC000281836439 532437009 /nfs/dbraw/zinc/43/70/09/532437009.db2.gz PFUFGENKHWWICV-UHFFFAOYSA-N 1 2 389.257 2.344 20 0 GEADLO Cc1sccc1C[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000295317375 532432394 /nfs/dbraw/zinc/43/23/94/532432394.db2.gz LCHJRMIHUFVFQP-UHFFFAOYSA-N 1 2 376.507 2.439 20 0 GEADLO CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)CCc1c[nH]c[nH+]1 ZINC000281836439 532437012 /nfs/dbraw/zinc/43/70/12/532437012.db2.gz PFUFGENKHWWICV-UHFFFAOYSA-N 1 2 389.257 2.344 20 0 GEADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000373135528 532434033 /nfs/dbraw/zinc/43/40/33/532434033.db2.gz KQDJLVMCINJEMG-GFCCVEGCSA-N 1 2 393.285 2.307 20 0 GEADLO Cc1nc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1Br ZINC000373145848 532434682 /nfs/dbraw/zinc/43/46/82/532434682.db2.gz QMRMNKSLZUSZOT-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1nc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1Br ZINC000373145848 532434688 /nfs/dbraw/zinc/43/46/88/532434688.db2.gz QMRMNKSLZUSZOT-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1Cl ZINC000193984639 532440797 /nfs/dbraw/zinc/44/07/97/532440797.db2.gz GYPKHWXBOLSDRW-NWDGAFQWSA-N 1 2 378.947 2.138 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1Cl ZINC000193984639 532440805 /nfs/dbraw/zinc/44/08/05/532440805.db2.gz GYPKHWXBOLSDRW-NWDGAFQWSA-N 1 2 378.947 2.138 20 0 GEADLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cccc(Br)c1O ZINC000518544233 532443117 /nfs/dbraw/zinc/44/31/17/532443117.db2.gz BWJAXLWYANJIBS-UHFFFAOYSA-N 1 2 392.253 2.316 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2cccc(C(=O)OC)c2Cl)CC1 ZINC000295427030 532445412 /nfs/dbraw/zinc/44/54/12/532445412.db2.gz FLWAPQYXXPIQHG-UHFFFAOYSA-N 1 2 388.917 2.420 20 0 GEADLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)N(C)Cc1ccccc1Br)CCO2 ZINC000373407133 532447544 /nfs/dbraw/zinc/44/75/44/532447544.db2.gz YFAJKWJTPIFPMK-KDOFPFPSSA-N 1 2 397.313 2.287 20 0 GEADLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)N(C)Cc1ccccc1Br)CCO2 ZINC000373407133 532447550 /nfs/dbraw/zinc/44/75/50/532447550.db2.gz YFAJKWJTPIFPMK-KDOFPFPSSA-N 1 2 397.313 2.287 20 0 GEADLO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ncc(Br)s1 ZINC000561709285 532448426 /nfs/dbraw/zinc/44/84/26/532448426.db2.gz GCFHNDUUOZNNBI-WDEREUQCSA-N 1 2 398.330 2.481 20 0 GEADLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000592371451 532452498 /nfs/dbraw/zinc/45/24/98/532452498.db2.gz PWVZZHHXLZCBBR-GOEBONIOSA-N 1 2 381.567 2.340 20 0 GEADLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ncc(Br)s1 ZINC000683401360 532457173 /nfs/dbraw/zinc/45/71/73/532457173.db2.gz NBZLXVGBZDJCQH-UHFFFAOYSA-N 1 2 383.271 2.067 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000295494767 532453274 /nfs/dbraw/zinc/45/32/74/532453274.db2.gz BCDKYUSOEFQECU-CQSZACIVSA-N 1 2 387.889 2.120 20 0 GEADLO O=C(N[C@@H](CO)CCF)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000650865138 532456333 /nfs/dbraw/zinc/45/63/33/532456333.db2.gz ZNQPJPHUCDEENK-LSDHHAIUSA-N 1 2 375.847 2.463 20 0 GEADLO O=C(N[C@@H](CO)CCF)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000650865138 532456335 /nfs/dbraw/zinc/45/63/35/532456335.db2.gz ZNQPJPHUCDEENK-LSDHHAIUSA-N 1 2 375.847 2.463 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCC3([S@](C)=O)CC3)[nH+]c12 ZINC000282379209 532460819 /nfs/dbraw/zinc/46/08/19/532460819.db2.gz WBBGGDDAJWTAMQ-QHCPKHFHSA-N 1 2 399.314 2.116 20 0 GEADLO CS(=O)(=O)c1ccc(CNC(=O)NCCNc2cccc[nH+]2)cc1Cl ZINC000428765542 532461138 /nfs/dbraw/zinc/46/11/38/532461138.db2.gz PIPPMJXPDSVEPZ-UHFFFAOYSA-N 1 2 382.873 2.050 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)CSc2ccc(C(F)(F)F)cn2)CCO1 ZINC000194906097 532463634 /nfs/dbraw/zinc/46/36/34/532463634.db2.gz LFIWWPMWJODVTD-UHFFFAOYSA-N 1 2 377.432 2.420 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)CSc2ccc(C(F)(F)F)cn2)CCO1 ZINC000194906097 532463641 /nfs/dbraw/zinc/46/36/41/532463641.db2.gz LFIWWPMWJODVTD-UHFFFAOYSA-N 1 2 377.432 2.420 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000519423464 532464954 /nfs/dbraw/zinc/46/49/54/532464954.db2.gz HIZOHDLKQAHIQX-CQSZACIVSA-N 1 2 376.881 2.355 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1c(Cl)cnn1C)c1cccc(F)c1 ZINC000373738063 532466639 /nfs/dbraw/zinc/46/66/39/532466639.db2.gz VLBIDJDHUQQVCN-CYBMUJFWSA-N 1 2 383.836 2.014 20 0 GEADLO Cn1c[nH+]c(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1 ZINC000683897016 532467030 /nfs/dbraw/zinc/46/70/30/532467030.db2.gz IXSWHFOEVBLWKI-UHFFFAOYSA-N 1 2 389.308 2.233 20 0 GEADLO CN1CCOC[C@H]1C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000628453378 532469700 /nfs/dbraw/zinc/46/97/00/532469700.db2.gz YSWZFUYUTUJFQG-SNVBAGLBSA-N 1 2 394.107 2.337 20 0 GEADLO Cc1cc(Br)sc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000651557465 532476634 /nfs/dbraw/zinc/47/66/34/532476634.db2.gz FNVDTNVYWVZGRY-UHFFFAOYSA-N 1 2 385.374 2.146 20 0 GEADLO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920159 532476658 /nfs/dbraw/zinc/47/66/58/532476658.db2.gz BJUVNVKGFFKVTE-JQWIXIFHSA-N 1 2 391.693 2.317 20 0 GEADLO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920159 532476663 /nfs/dbraw/zinc/47/66/63/532476663.db2.gz BJUVNVKGFFKVTE-JQWIXIFHSA-N 1 2 391.693 2.317 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000628917677 532477223 /nfs/dbraw/zinc/47/72/23/532477223.db2.gz CXFUVKMPEPVISL-INIZCTEOSA-N 1 2 393.281 2.428 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000628917677 532477232 /nfs/dbraw/zinc/47/72/32/532477232.db2.gz CXFUVKMPEPVISL-INIZCTEOSA-N 1 2 393.281 2.428 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000562704832 532477759 /nfs/dbraw/zinc/47/77/59/532477759.db2.gz BGRGWYOKNJEVEA-NVXWUHKLSA-N 1 2 394.313 2.452 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000562704832 532477764 /nfs/dbraw/zinc/47/77/64/532477764.db2.gz BGRGWYOKNJEVEA-NVXWUHKLSA-N 1 2 394.313 2.452 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000468839124 532477931 /nfs/dbraw/zinc/47/79/31/532477931.db2.gz GGXYAOHBHWJRAO-QWHCGFSZSA-N 1 2 387.889 2.317 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](c2ccncn2)C1)Nc1ccc(Br)cn1 ZINC000373935686 532479999 /nfs/dbraw/zinc/47/99/99/532479999.db2.gz DVKZZIIMLLZGER-GFCCVEGCSA-N 1 2 376.258 2.452 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](c2ccncn2)C1)Nc1ccc(Br)cn1 ZINC000373935686 532480004 /nfs/dbraw/zinc/48/00/04/532480004.db2.gz DVKZZIIMLLZGER-GFCCVEGCSA-N 1 2 376.258 2.452 20 0 GEADLO CCn1cc(Br)cc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000195527010 532480415 /nfs/dbraw/zinc/48/04/15/532480415.db2.gz IJSMTEVIYWBNSX-UHFFFAOYSA-N 1 2 393.285 2.432 20 0 GEADLO C[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC[S@@]1=O ZINC000429599624 532482003 /nfs/dbraw/zinc/48/20/03/532482003.db2.gz SLTXMLPGWIHVNN-WJFWATLMSA-N 1 2 394.306 2.171 20 0 GEADLO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC[S@@]1=O ZINC000429599624 532482006 /nfs/dbraw/zinc/48/20/06/532482006.db2.gz SLTXMLPGWIHVNN-WJFWATLMSA-N 1 2 394.306 2.171 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@@H]1CCC[C@@H]1CCO ZINC000429759262 532482873 /nfs/dbraw/zinc/48/28/73/532482873.db2.gz PGICHANOEOHJIK-BXUZGUMPSA-N 1 2 381.274 2.447 20 0 GEADLO COc1ccc(S(=O)(=O)NCCNc2cccc[nH+]2)cc1Br ZINC000468953088 532483022 /nfs/dbraw/zinc/48/30/22/532483022.db2.gz KJCSOTFCLNDWBU-UHFFFAOYSA-N 1 2 386.271 2.243 20 0 GEADLO O=C1[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C[C@H]2CCCCN12 ZINC000562805194 532483345 /nfs/dbraw/zinc/48/33/45/532483345.db2.gz NXVHCCDNHGUCST-UKRRQHHQSA-N 1 2 390.285 2.273 20 0 GEADLO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1nc(N)nc(Cl)n1 ZINC000295915376 532486764 /nfs/dbraw/zinc/48/67/64/532486764.db2.gz FYPXEHOJUNBBAZ-QWRKXWFKSA-N 1 2 381.267 2.383 20 0 GEADLO CCc1nnc(CS(=O)(=O)Cc2cn3cc(Br)ccc3[nH+]2)o1 ZINC000469013154 532487408 /nfs/dbraw/zinc/48/74/08/532487408.db2.gz QFNFDMYYHYHFOE-UHFFFAOYSA-N 1 2 385.243 2.157 20 0 GEADLO O=C(Nc1nnc(-c2cc(Br)ccc2F)s1)[C@H]1COCC[NH2+]1 ZINC000430081208 532488829 /nfs/dbraw/zinc/48/88/29/532488829.db2.gz CYIQRAKUFJGIGG-SNVBAGLBSA-N 1 2 387.234 2.034 20 0 GEADLO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCSC[C@@H]2c2cccs2)cc1 ZINC000374112858 532490630 /nfs/dbraw/zinc/49/06/30/532490630.db2.gz XRATVRXIJHIIND-CQSZACIVSA-N 1 2 397.547 2.124 20 0 GEADLO NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCSC[C@@H]2c2cccs2)cc1 ZINC000374112858 532490638 /nfs/dbraw/zinc/49/06/38/532490638.db2.gz XRATVRXIJHIIND-CQSZACIVSA-N 1 2 397.547 2.124 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1nccn1CC(F)(F)F)CCc1ccccc1 ZINC000282729145 532491501 /nfs/dbraw/zinc/49/15/01/532491501.db2.gz QWAKIIFZAOQFKI-UHFFFAOYSA-N 1 2 375.416 2.193 20 0 GEADLO CCn1ccc(CC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000651727755 532491922 /nfs/dbraw/zinc/49/19/22/532491922.db2.gz AKUXLGNJQJQRMF-UHFFFAOYSA-N 1 2 376.258 2.481 20 0 GEADLO O=C(Nc1ccc(Br)cc1F)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000374213794 532492199 /nfs/dbraw/zinc/49/21/99/532492199.db2.gz WBTYDEGAMVFSGG-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000295993875 532492418 /nfs/dbraw/zinc/49/24/18/532492418.db2.gz KLUYZZPJTGGYMO-UHFFFAOYSA-N 1 2 386.945 2.433 20 0 GEADLO C[C@H](NC(=O)c1c(O)cnc2c(Br)cccc21)[C@@H]1C[N@H+](C)CCO1 ZINC000685790468 532496312 /nfs/dbraw/zinc/49/63/12/532496312.db2.gz YVCFITGMAUJNLO-HZMBPMFUSA-N 1 2 394.269 2.152 20 0 GEADLO C[C@H](NC(=O)c1c(O)cnc2c(Br)cccc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000685790468 532496314 /nfs/dbraw/zinc/49/63/14/532496314.db2.gz YVCFITGMAUJNLO-HZMBPMFUSA-N 1 2 394.269 2.152 20 0 GEADLO C[C@H](CC(=O)NC[C@H](O)COc1ccccc1Br)n1cc[nH+]c1 ZINC000651529694 532473990 /nfs/dbraw/zinc/47/39/90/532473990.db2.gz TXBBHSGSBMQXIE-OLZOCXBDSA-N 1 2 382.258 2.153 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)[C@H](C(N)=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000195302181 532474036 /nfs/dbraw/zinc/47/40/36/532474036.db2.gz JKQXHONCTUKPCV-ZENOOKHLSA-N 1 2 384.318 2.017 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)[C@H](C(N)=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000195302181 532474046 /nfs/dbraw/zinc/47/40/46/532474046.db2.gz JKQXHONCTUKPCV-ZENOOKHLSA-N 1 2 384.318 2.017 20 0 GEADLO C[C@@H]1CN(CC[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000195302181 532474049 /nfs/dbraw/zinc/47/40/49/532474049.db2.gz JKQXHONCTUKPCV-ZENOOKHLSA-N 1 2 384.318 2.017 20 0 GEADLO C[C@@H]1CN(CC[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000195302181 532474052 /nfs/dbraw/zinc/47/40/52/532474052.db2.gz JKQXHONCTUKPCV-ZENOOKHLSA-N 1 2 384.318 2.017 20 0 GEADLO CN1CC[NH+]([C@H](CNC(=O)NC[C@H]2CCCSC2)c2cccs2)CC1 ZINC000519663908 532474219 /nfs/dbraw/zinc/47/42/19/532474219.db2.gz SZISNAMQWMYUGX-HZPDHXFCSA-N 1 2 382.599 2.479 20 0 GEADLO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2sc(Br)cc2C)C1 ZINC000651551767 532474427 /nfs/dbraw/zinc/47/44/27/532474427.db2.gz NEHGORFDCKAABI-NSHDSACASA-N 1 2 397.360 2.208 20 0 GEADLO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2sc(Br)cc2C)C1 ZINC000651551767 532474434 /nfs/dbraw/zinc/47/44/34/532474434.db2.gz NEHGORFDCKAABI-NSHDSACASA-N 1 2 397.360 2.208 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000684289094 532475422 /nfs/dbraw/zinc/47/54/22/532475422.db2.gz LSJATCXJGIKBOV-ZDUSSCGKSA-N 1 2 382.511 2.285 20 0 GEADLO COC(=O)[C@H]1CC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)[C@H]1C(C)C ZINC000429361661 532475499 /nfs/dbraw/zinc/47/54/99/532475499.db2.gz LEQJLRRPIJSPFR-KKUMJFAQSA-N 1 2 383.286 2.495 20 0 GEADLO COC(=O)[C@H]1CC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)[C@H]1C(C)C ZINC000429361661 532475504 /nfs/dbraw/zinc/47/55/04/532475504.db2.gz LEQJLRRPIJSPFR-KKUMJFAQSA-N 1 2 383.286 2.495 20 0 GEADLO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1 ZINC000429449687 532476424 /nfs/dbraw/zinc/47/64/24/532476424.db2.gz HZPVHYCVROKQPJ-CYBMUJFWSA-N 1 2 379.507 2.230 20 0 GEADLO O=C(CC[C@@H]1CCOC1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000520983058 532502171 /nfs/dbraw/zinc/50/21/71/532502171.db2.gz OKBKXNRDIAZYIY-GFCCVEGCSA-N 1 2 384.274 2.436 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000521064116 532504774 /nfs/dbraw/zinc/50/47/74/532504774.db2.gz XHZUCNLXFCEMST-NSHDSACASA-N 1 2 377.242 2.184 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000521064114 532504896 /nfs/dbraw/zinc/50/48/96/532504896.db2.gz XHZUCNLXFCEMST-LLVKDONJSA-N 1 2 377.242 2.184 20 0 GEADLO O[C@H](CNc1cc(N2CCOCC2)nc[nH+]1)c1cccc(Br)c1 ZINC000282898889 532505782 /nfs/dbraw/zinc/50/57/82/532505782.db2.gz TZGOEFLIBJOLCJ-CQSZACIVSA-N 1 2 379.258 2.221 20 0 GEADLO CC(=O)N[C@H](CC(=O)N(C)Cc1[nH]cc[nH+]1)c1ccc(Br)cc1 ZINC000521138033 532505932 /nfs/dbraw/zinc/50/59/32/532505932.db2.gz CAXIRYGHZSCIGG-CQSZACIVSA-N 1 2 379.258 2.398 20 0 GEADLO O[C@H](CNc1cc(N2CCOCC2)[nH+]cn1)c1cccc(Br)c1 ZINC000282898889 532505789 /nfs/dbraw/zinc/50/57/89/532505789.db2.gz TZGOEFLIBJOLCJ-CQSZACIVSA-N 1 2 379.258 2.221 20 0 GEADLO C[N@H+](CC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)C1CCC1 ZINC000629991184 532505901 /nfs/dbraw/zinc/50/59/01/532505901.db2.gz QPMDGVYUHGVORH-UHFFFAOYSA-N 1 2 378.416 2.209 20 0 GEADLO C[N@@H+](CC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)C1CCC1 ZINC000629991184 532505905 /nfs/dbraw/zinc/50/59/05/532505905.db2.gz QPMDGVYUHGVORH-UHFFFAOYSA-N 1 2 378.416 2.209 20 0 GEADLO C[C@@](C[NH3+])(NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)C1CC1 ZINC000237644231 532509078 /nfs/dbraw/zinc/50/90/78/532509078.db2.gz NWZZRKPTQMZNJK-KRWDZBQOSA-N 1 2 379.507 2.406 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000296262865 532509763 /nfs/dbraw/zinc/50/97/63/532509763.db2.gz LXLXUVFMPMRLOU-INIZCTEOSA-N 1 2 375.252 2.443 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000296262865 532509771 /nfs/dbraw/zinc/50/97/71/532509771.db2.gz LXLXUVFMPMRLOU-INIZCTEOSA-N 1 2 375.252 2.443 20 0 GEADLO Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)c[nH+]1 ZINC000237997720 532515106 /nfs/dbraw/zinc/51/51/06/532515106.db2.gz DQYQWHKFYLSBJJ-JTQLQIEISA-N 1 2 375.226 2.418 20 0 GEADLO Cn1c(Cl)c(Cl)cc1C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000283059266 532516707 /nfs/dbraw/zinc/51/67/07/532516707.db2.gz RQZNSLIGJONXPQ-UHFFFAOYSA-N 1 2 383.283 2.046 20 0 GEADLO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000594652260 532517119 /nfs/dbraw/zinc/51/71/19/532517119.db2.gz LRUSOJBILZHATF-HNNXBMFYSA-N 1 2 382.913 2.247 20 0 GEADLO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000594652260 532517129 /nfs/dbraw/zinc/51/71/29/532517129.db2.gz LRUSOJBILZHATF-HNNXBMFYSA-N 1 2 382.913 2.247 20 0 GEADLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000242598045 532518151 /nfs/dbraw/zinc/51/81/51/532518151.db2.gz CJKKXBIHPXQKIC-LBPRGKRZSA-N 1 2 386.279 2.113 20 0 GEADLO COc1ccccc1[C@@H]1CN(C(=O)CSc2n[nH]c(=S)s2)CC[NH2+]1 ZINC000374374909 532499442 /nfs/dbraw/zinc/49/94/42/532499442.db2.gz YCVAJJWMCXBGAS-NSHDSACASA-N 1 2 382.536 2.101 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1sc(S(N)(=O)=O)cc1C ZINC000430492545 532500272 /nfs/dbraw/zinc/50/02/72/532500272.db2.gz LUXWMMHJGZUTKO-UHFFFAOYSA-N 1 2 384.527 2.015 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1ccccc1Br ZINC000282844231 532501985 /nfs/dbraw/zinc/50/19/85/532501985.db2.gz BFIXTAFXQDOQBL-BMIGLBTASA-N 1 2 379.258 2.097 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1ccccc1Br ZINC000282844231 532501989 /nfs/dbraw/zinc/50/19/89/532501989.db2.gz BFIXTAFXQDOQBL-BMIGLBTASA-N 1 2 379.258 2.097 20 0 GEADLO O=C1CN(S(=O)(=O)c2ccc(F)cc2Br)c2cc[nH+]cc2N1 ZINC000470763175 532535585 /nfs/dbraw/zinc/53/55/85/532535585.db2.gz AZBDFLFEUOJYON-UHFFFAOYSA-N 1 2 386.202 2.131 20 0 GEADLO C[C@@H](NC(=O)c1ccc2cncc(Br)c2n1)[C@H](C)[NH+]1CCOCC1 ZINC000630934184 532536727 /nfs/dbraw/zinc/53/67/27/532536727.db2.gz GSGXICUUEOTNFF-NEPJUHHUSA-N 1 2 393.285 2.231 20 0 GEADLO CC(=O)Nc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cn1 ZINC000432501765 532539593 /nfs/dbraw/zinc/53/95/93/532539593.db2.gz MYRDBJLUPMOIGF-HNNXBMFYSA-N 1 2 377.242 2.119 20 0 GEADLO CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000246492497 532539927 /nfs/dbraw/zinc/53/99/27/532539927.db2.gz BFOFWOPDFVEUTO-TWKFVSLJSA-N 1 2 383.583 2.485 20 0 GEADLO CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000246492497 532539929 /nfs/dbraw/zinc/53/99/29/532539929.db2.gz BFOFWOPDFVEUTO-TWKFVSLJSA-N 1 2 383.583 2.485 20 0 GEADLO C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000246496495 532540048 /nfs/dbraw/zinc/54/00/48/532540048.db2.gz ATIUUJWYWFZLNE-MCIONIFRSA-N 1 2 385.302 2.442 20 0 GEADLO O=C(Cc1csc2ccc(Br)cc12)NC[C@H]1C[NH+]2CCN1CC2 ZINC000471041245 532540441 /nfs/dbraw/zinc/54/04/41/532540441.db2.gz BOBFLKWOIHBHFK-AWEZNQCLSA-N 1 2 394.338 2.322 20 0 GEADLO O=C(NCC[C@H]1CCOC1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000653698525 532541059 /nfs/dbraw/zinc/54/10/59/532541059.db2.gz NONBITNVVJBBLI-LBPRGKRZSA-N 1 2 399.289 2.229 20 0 GEADLO COCc1n[nH]c(C[NH2+][C@@H]2CCc3ccc(I)cc32)n1 ZINC000595069254 532542452 /nfs/dbraw/zinc/54/24/52/532542452.db2.gz QSJSFTWGCZETSN-GFCCVEGCSA-N 1 2 384.221 2.333 20 0 GEADLO CC[C@@H](NC(=O)CS(=O)(=O)c1cccc(Br)c1)c1[nH]cc[nH+]1 ZINC000526947507 532542754 /nfs/dbraw/zinc/54/27/54/532542754.db2.gz JRKMXSHKSKHZKD-GFCCVEGCSA-N 1 2 386.271 2.213 20 0 GEADLO O=C(NCC[C@@]1(O)CCOC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000652805093 532520978 /nfs/dbraw/zinc/52/09/78/532520978.db2.gz QMZDTJNMWUNELH-FUHWJXTLSA-N 1 2 397.313 2.244 20 0 GEADLO Cc1nc(CO[C@@H]2CC[N@@H+](Cc3csc(CC(=O)N(C)C)n3)C2)cs1 ZINC000374870859 532522163 /nfs/dbraw/zinc/52/21/63/532522163.db2.gz BWPDRPVPFKVPLQ-OAHLLOKOSA-N 1 2 380.539 2.330 20 0 GEADLO Cc1nc(CO[C@@H]2CC[N@H+](Cc3csc(CC(=O)N(C)C)n3)C2)cs1 ZINC000374870859 532522169 /nfs/dbraw/zinc/52/21/69/532522169.db2.gz BWPDRPVPFKVPLQ-OAHLLOKOSA-N 1 2 380.539 2.330 20 0 GEADLO C[C@H](Cc1ccccc1Br)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000470180427 532522354 /nfs/dbraw/zinc/52/23/54/532522354.db2.gz NAXFTNNEKQEPPX-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](Cc1ccccc1Br)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000470180427 532522359 /nfs/dbraw/zinc/52/23/59/532522359.db2.gz NAXFTNNEKQEPPX-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000564365606 532522817 /nfs/dbraw/zinc/52/28/17/532522817.db2.gz ZMMNRHVOKMVQQN-UHFFFAOYSA-N 1 2 378.458 3.025 20 0 GEADLO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000630620571 532523262 /nfs/dbraw/zinc/52/32/62/532523262.db2.gz PUDDXEMUAYBXJV-UHFFFAOYSA-N 1 2 380.242 2.409 20 0 GEADLO C[C@H](Cc1ccccc1Br)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000470180429 532523293 /nfs/dbraw/zinc/52/32/93/532523293.db2.gz NAXFTNNEKQEPPX-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](Cc1ccccc1Br)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000470180429 532523302 /nfs/dbraw/zinc/52/33/02/532523302.db2.gz NAXFTNNEKQEPPX-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)c1[nH]cc[nH+]1 ZINC000564375188 532523418 /nfs/dbraw/zinc/52/34/18/532523418.db2.gz ALEZTYSPOFUYOD-MNOVXSKESA-N 1 2 377.242 2.403 20 0 GEADLO O=S(=O)(CC[N@H+]1CCSC[C@@H]1CCO)c1cccc(Br)c1 ZINC000470189159 532523507 /nfs/dbraw/zinc/52/35/07/532523507.db2.gz DBZCKBVJEQNJTE-ZDUSSCGKSA-N 1 2 394.356 2.023 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCSC[C@@H]1CCO)c1cccc(Br)c1 ZINC000470189159 532523515 /nfs/dbraw/zinc/52/35/15/532523515.db2.gz DBZCKBVJEQNJTE-ZDUSSCGKSA-N 1 2 394.356 2.023 20 0 GEADLO Cc1cc(CC(C)(C)C(=O)N2CC[NH+](CCO)CC2)ccc1Br ZINC000431889639 532523834 /nfs/dbraw/zinc/52/38/34/532523834.db2.gz MCLGABKYPMUMGK-UHFFFAOYSA-N 1 2 383.330 2.463 20 0 GEADLO O=C(C1CSC1)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000630614910 532524228 /nfs/dbraw/zinc/52/42/28/532524228.db2.gz MCIJENIDLZNVRU-UHFFFAOYSA-N 1 2 378.523 2.238 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000431991933 532524698 /nfs/dbraw/zinc/52/46/98/532524698.db2.gz MMHQKLXHPFNEGH-UHFFFAOYSA-N 1 2 380.286 2.311 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2cscc2Br)C1=O ZINC000564747700 532530970 /nfs/dbraw/zinc/53/09/70/532530970.db2.gz WTXBJCBKQKALQT-LBPRGKRZSA-N 1 2 397.298 2.165 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)Cc2csc(CCC(F)(F)F)n2)CCO1 ZINC000630880321 532533779 /nfs/dbraw/zinc/53/37/79/532533779.db2.gz UDIKMQDFEJPJCB-UHFFFAOYSA-N 1 2 379.448 2.408 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)Cc2csc(CCC(F)(F)F)n2)CCO1 ZINC000630880321 532533786 /nfs/dbraw/zinc/53/37/86/532533786.db2.gz UDIKMQDFEJPJCB-UHFFFAOYSA-N 1 2 379.448 2.408 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375106102 532534550 /nfs/dbraw/zinc/53/45/50/532534550.db2.gz QCJSWGPMCWRGDF-UHFFFAOYSA-N 1 2 383.857 2.138 20 0 GEADLO O=S(=O)(c1ccc(C[NH2+]Cc2ccncc2Cl)s1)N1CCOCC1 ZINC000527638237 532550247 /nfs/dbraw/zinc/55/02/47/532550247.db2.gz VCUHFRZJTJXNBU-UHFFFAOYSA-N 1 2 387.914 2.107 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1F)C2 ZINC000375370224 532551864 /nfs/dbraw/zinc/55/18/64/532551864.db2.gz OKGGHPXSXMASKI-LLVKDONJSA-N 1 2 388.262 2.386 20 0 GEADLO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000432997299 532552721 /nfs/dbraw/zinc/55/27/21/532552721.db2.gz LAWYYAISXPGSAZ-NSHDSACASA-N 1 2 379.258 2.215 20 0 GEADLO CCN1CCN(C(=O)COc2ccccc2Br)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433004295 532553440 /nfs/dbraw/zinc/55/34/40/532553440.db2.gz XUSQLFKXRKDUJJ-CQSZACIVSA-N 1 2 393.285 2.456 20 0 GEADLO CN(C)c1[nH+]cccc1CNC(=O)NCCCCn1cc(Br)cn1 ZINC000471583773 532553687 /nfs/dbraw/zinc/55/36/87/532553687.db2.gz BPIOUQSEPAWQJE-UHFFFAOYSA-N 1 2 395.305 2.386 20 0 GEADLO NC(=O)[C@@H]1C[N@H+](Cc2cnc3ccc(Br)cn23)C[C@H]1C(F)(F)F ZINC000375401498 532554579 /nfs/dbraw/zinc/55/45/79/532554579.db2.gz OZKYUCUYWWNESH-GHMZBOCLSA-N 1 2 391.191 2.192 20 0 GEADLO NC(=O)[C@@H]1C[N@@H+](Cc2cnc3ccc(Br)cn23)C[C@H]1C(F)(F)F ZINC000375401498 532554586 /nfs/dbraw/zinc/55/45/86/532554586.db2.gz OZKYUCUYWWNESH-GHMZBOCLSA-N 1 2 391.191 2.192 20 0 GEADLO CC(C)(C(=O)N1CC[NH+](CCO)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000527879165 532556835 /nfs/dbraw/zinc/55/68/35/532556835.db2.gz GPIAIZNWQYYKOE-OAHLLOKOSA-N 1 2 375.296 2.190 20 0 GEADLO O=C(NCc1cc(Br)cs1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000283788972 532557886 /nfs/dbraw/zinc/55/78/86/532557886.db2.gz GIQPQCCTNGOSJE-SNVBAGLBSA-N 1 2 397.298 2.256 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000283792523 532558002 /nfs/dbraw/zinc/55/80/02/532558002.db2.gz GUXBOKXTRZIHEZ-RISCZKNCSA-N 1 2 378.885 2.395 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)C(=O)CCc2[nH]cc[nH+]2)c1 ZINC000297040427 532561545 /nfs/dbraw/zinc/56/15/45/532561545.db2.gz UVIFQFLZKMEZBM-AWEZNQCLSA-N 1 2 382.258 2.305 20 0 GEADLO CCC[C@H](C)N(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000565434905 532563854 /nfs/dbraw/zinc/56/38/54/532563854.db2.gz WPRUPCFAHRROBN-LBPRGKRZSA-N 1 2 386.499 2.020 20 0 GEADLO CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000433364288 532566314 /nfs/dbraw/zinc/56/63/14/532566314.db2.gz NKMFDYRNGOOAAO-SFHVURJKSA-N 1 2 377.595 2.278 20 0 GEADLO CO[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1Br ZINC000654738087 532567157 /nfs/dbraw/zinc/56/71/57/532567157.db2.gz MPZMZTZNTAPCRM-IOASZLSFSA-N 1 2 385.302 2.362 20 0 GEADLO CS(=O)(=O)c1cc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)co1 ZINC000528491290 532567310 /nfs/dbraw/zinc/56/73/10/532567310.db2.gz WQUQDAYFKACDEN-GFCCVEGCSA-N 1 2 379.356 2.405 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)[C@H](OC)c2ccccc2Br)CC1 ZINC000654769208 532568037 /nfs/dbraw/zinc/56/80/37/532568037.db2.gz SQOQVYWMFLUUAL-MRXNPFEDSA-N 1 2 385.302 2.317 20 0 GEADLO CCc1ncc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)s1 ZINC000528502974 532568191 /nfs/dbraw/zinc/56/81/91/532568191.db2.gz SAYOLAHVGYMBBO-AWEZNQCLSA-N 1 2 381.523 2.267 20 0 GEADLO CCc1ncc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)s1 ZINC000528502974 532568196 /nfs/dbraw/zinc/56/81/96/532568196.db2.gz SAYOLAHVGYMBBO-AWEZNQCLSA-N 1 2 381.523 2.267 20 0 GEADLO Cc1nc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)s1 ZINC000654053545 532546458 /nfs/dbraw/zinc/54/64/58/532546458.db2.gz PXMJSMYQNZVXPO-BBBLOLIVSA-N 1 2 376.320 2.442 20 0 GEADLO Cc1nc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)s1 ZINC000654053545 532546465 /nfs/dbraw/zinc/54/64/65/532546465.db2.gz PXMJSMYQNZVXPO-BBBLOLIVSA-N 1 2 376.320 2.442 20 0 GEADLO COC(=O)c1ccc(CNC[C@H]2C[N@@H+](C3CC3)CCO2)c(Br)c1 ZINC000375304834 532547750 /nfs/dbraw/zinc/54/77/50/532547750.db2.gz XSPWJBQMLFSGLV-HNNXBMFYSA-N 1 2 383.286 2.189 20 0 GEADLO COC(=O)c1ccc(CNC[C@H]2C[N@H+](C3CC3)CCO2)c(Br)c1 ZINC000375304834 532547754 /nfs/dbraw/zinc/54/77/54/532547754.db2.gz XSPWJBQMLFSGLV-HNNXBMFYSA-N 1 2 383.286 2.189 20 0 GEADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)c(F)cc1O ZINC000296843988 532547983 /nfs/dbraw/zinc/54/79/83/532547983.db2.gz SWUHISGBYQXEHZ-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)c(F)cc1O ZINC000296843988 532547987 /nfs/dbraw/zinc/54/79/87/532547987.db2.gz SWUHISGBYQXEHZ-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO O=C(N[C@@H](CO)c1c(Cl)cccc1Cl)c1ccc(-n2cc[nH+]c2)nn1 ZINC000527277925 532549169 /nfs/dbraw/zinc/54/91/69/532549169.db2.gz RAHDWJUWKVPXLQ-ZDUSSCGKSA-N 1 2 378.219 2.433 20 0 GEADLO COc1cc(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(OC)cc1Cl ZINC000528789622 532582459 /nfs/dbraw/zinc/58/24/59/532582459.db2.gz UXAUYTCTHGHPNF-FIRCGALFSA-N 1 2 386.901 2.281 20 0 GEADLO COc1cc(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(OC)cc1Cl ZINC000528789622 532582465 /nfs/dbraw/zinc/58/24/65/532582465.db2.gz UXAUYTCTHGHPNF-FIRCGALFSA-N 1 2 386.901 2.281 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000284269220 532582944 /nfs/dbraw/zinc/58/29/44/532582944.db2.gz GUYHNDQSUNMHLB-UHFFFAOYSA-N 1 2 382.917 2.098 20 0 GEADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000262142850 532585951 /nfs/dbraw/zinc/58/59/51/532585951.db2.gz ZGKXMROFMCIYJD-ZDUSSCGKSA-N 1 2 375.281 2.062 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000473261755 532586681 /nfs/dbraw/zinc/58/66/81/532586681.db2.gz VLNSAJWSRJOGRH-INIZCTEOSA-N 1 2 397.313 2.322 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000473261755 532586687 /nfs/dbraw/zinc/58/66/87/532586687.db2.gz VLNSAJWSRJOGRH-INIZCTEOSA-N 1 2 397.313 2.322 20 0 GEADLO C[C@@H]1CC[N@H+](CC(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000566019301 532588382 /nfs/dbraw/zinc/58/83/82/532588382.db2.gz DNWGLYCRQJVTGI-LLVKDONJSA-N 1 2 378.416 2.067 20 0 GEADLO C[C@@H]1CC[N@@H+](CC(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000566019301 532588394 /nfs/dbraw/zinc/58/83/94/532588394.db2.gz DNWGLYCRQJVTGI-LLVKDONJSA-N 1 2 378.416 2.067 20 0 GEADLO C[C@H]1CC[N@H+](CC(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000566019302 532588685 /nfs/dbraw/zinc/58/86/85/532588685.db2.gz DNWGLYCRQJVTGI-NSHDSACASA-N 1 2 378.416 2.067 20 0 GEADLO C[C@H]1CC[N@@H+](CC(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000566019302 532588693 /nfs/dbraw/zinc/58/86/93/532588693.db2.gz DNWGLYCRQJVTGI-NSHDSACASA-N 1 2 378.416 2.067 20 0 GEADLO COc1ccc(CNc2[nH+]ccc(C)c2Br)cc1S(N)(=O)=O ZINC000566013726 532589288 /nfs/dbraw/zinc/58/92/88/532589288.db2.gz ZNRPJMYWCFFUEA-UHFFFAOYSA-N 1 2 386.271 2.421 20 0 GEADLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@]2(CCCOC2)O1 ZINC000376016721 532591917 /nfs/dbraw/zinc/59/19/17/532591917.db2.gz YLOARANYXXRCHW-YOEHRIQHSA-N 1 2 398.301 2.443 20 0 GEADLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@]2(CCCOC2)O1 ZINC000376016721 532591923 /nfs/dbraw/zinc/59/19/23/532591923.db2.gz YLOARANYXXRCHW-YOEHRIQHSA-N 1 2 398.301 2.443 20 0 GEADLO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc(S(C)(=O)=O)cs2)cc1 ZINC000284474722 532594476 /nfs/dbraw/zinc/59/44/76/532594476.db2.gz UMMOUVLJQCDBFR-OAHLLOKOSA-N 1 2 382.507 2.193 20 0 GEADLO CO[C@@H]1CC[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000565700680 532573375 /nfs/dbraw/zinc/57/33/75/532573375.db2.gz JAPJGEWNWFCDFH-NWDGAFQWSA-N 1 2 399.289 2.370 20 0 GEADLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000595772955 532573586 /nfs/dbraw/zinc/57/35/86/532573586.db2.gz KXUYVZGSXLSXJZ-SWLSCSKDSA-N 1 2 378.238 2.070 20 0 GEADLO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000375666529 532574671 /nfs/dbraw/zinc/57/46/71/532574671.db2.gz WOJXCGYKOVFROL-XJKSGUPXSA-N 1 2 385.555 2.091 20 0 GEADLO CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000375666529 532574679 /nfs/dbraw/zinc/57/46/79/532574679.db2.gz WOJXCGYKOVFROL-XJKSGUPXSA-N 1 2 385.555 2.091 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000595800182 532574818 /nfs/dbraw/zinc/57/48/18/532574818.db2.gz HSBVUCRGGAWJQL-DYVFJYSZSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000595800182 532574825 /nfs/dbraw/zinc/57/48/25/532574825.db2.gz HSBVUCRGGAWJQL-DYVFJYSZSA-N 1 2 392.279 2.387 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1Br ZINC000284466178 532595281 /nfs/dbraw/zinc/59/52/81/532595281.db2.gz ASCWVXOFIRYTQN-UKRRQHHQSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1Br ZINC000284466178 532595286 /nfs/dbraw/zinc/59/52/86/532595286.db2.gz ASCWVXOFIRYTQN-UKRRQHHQSA-N 1 2 384.274 2.395 20 0 GEADLO C[C@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000632261670 532595303 /nfs/dbraw/zinc/59/53/03/532595303.db2.gz WDWGJOWXAVTRQZ-DOMZBBRYSA-N 1 2 380.432 2.059 20 0 GEADLO C[C@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000632261670 532595311 /nfs/dbraw/zinc/59/53/11/532595311.db2.gz WDWGJOWXAVTRQZ-DOMZBBRYSA-N 1 2 380.432 2.059 20 0 GEADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(Br)cc3F)C2)CC1 ZINC000597168368 532614270 /nfs/dbraw/zinc/61/42/70/532614270.db2.gz YGLKFOSIDGHPIP-MRXNPFEDSA-N 1 2 398.320 2.369 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cscc2Br)CC1 ZINC000632483282 532614493 /nfs/dbraw/zinc/61/44/93/532614493.db2.gz VNQUYQDHCNXRME-UHFFFAOYSA-N 1 2 397.360 2.242 20 0 GEADLO CO[C@@]1(CO)CCC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000597186412 532614491 /nfs/dbraw/zinc/61/44/91/532614491.db2.gz COFMABIFOVBNGQ-AWEZNQCLSA-N 1 2 379.213 2.404 20 0 GEADLO CO[C@@]1(CO)CCC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC000597186412 532614495 /nfs/dbraw/zinc/61/44/95/532614495.db2.gz COFMABIFOVBNGQ-AWEZNQCLSA-N 1 2 379.213 2.404 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)sc1Cl ZINC000632501098 532615439 /nfs/dbraw/zinc/61/54/39/532615439.db2.gz IVRYJRHUQLMJMB-NWDGAFQWSA-N 1 2 378.947 2.488 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)C[C@H]2CCCC(F)(F)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000632502607 532616481 /nfs/dbraw/zinc/61/64/81/532616481.db2.gz XISCDHFWLYTUCV-ZNMIVQPWSA-N 1 2 380.501 2.231 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000632502751 532616577 /nfs/dbraw/zinc/61/65/77/532616577.db2.gz YJAOIURLLZFVOB-JKSUJKDBSA-N 1 2 390.908 2.398 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2cc(F)cc(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000632502879 532617721 /nfs/dbraw/zinc/61/77/21/532617721.db2.gz ZKMKSWWXUIDVLQ-HUUCEWRRSA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)C[C@H]2CCCCC2(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000632503111 532617766 /nfs/dbraw/zinc/61/77/66/532617766.db2.gz VJWPZRQVNZQKCC-RBSFLKMASA-N 1 2 380.501 2.231 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000632502764 532617880 /nfs/dbraw/zinc/61/78/80/532617880.db2.gz YKUVWEOSYUUFFM-GJZGRUSLSA-N 1 2 376.881 2.257 20 0 GEADLO Cc1cc(NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)cc(F)c1Br ZINC000298023868 532618575 /nfs/dbraw/zinc/61/85/75/532618575.db2.gz AWPFHCHVTGGQOO-UHFFFAOYSA-N 1 2 383.221 2.227 20 0 GEADLO Cn1cc[nH+]c1[C@H](CC(=O)NCc1ccc(S(C)(=O)=O)s1)C(F)(F)F ZINC000566628794 532620547 /nfs/dbraw/zinc/62/05/47/532620547.db2.gz JVQGKOOJRHOMCS-JTQLQIEISA-N 1 2 395.428 2.238 20 0 GEADLO CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)[C@H]2CSC[NH2+]2)c1 ZINC000262703940 532598103 /nfs/dbraw/zinc/59/81/03/532598103.db2.gz ZVDTXLQEAPBQNW-MRXNPFEDSA-N 1 2 383.539 2.241 20 0 GEADLO CC1(C)CC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCS1 ZINC000434714087 532599441 /nfs/dbraw/zinc/59/94/41/532599441.db2.gz NAYZYFLIGUUPEG-UHFFFAOYSA-N 1 2 391.946 2.143 20 0 GEADLO CC1(C)CC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CCS1 ZINC000434714087 532599448 /nfs/dbraw/zinc/59/94/48/532599448.db2.gz NAYZYFLIGUUPEG-UHFFFAOYSA-N 1 2 391.946 2.143 20 0 GEADLO CN1C(=O)NC2(CC[NH+](Cc3cc(Br)cc(F)c3F)CC2)C1=O ZINC000566300468 532603321 /nfs/dbraw/zinc/60/33/21/532603321.db2.gz MGCFQINNWDGBOH-UHFFFAOYSA-N 1 2 388.212 2.244 20 0 GEADLO C[C@H](CNC(=O)N[C@H](CO)c1c(Cl)cccc1Cl)[NH+]1CCOCC1 ZINC000474038712 532604639 /nfs/dbraw/zinc/60/46/39/532604639.db2.gz CVQFOMXHDZFVEO-BXUZGUMPSA-N 1 2 376.284 2.047 20 0 GEADLO CCS(=O)(=O)N1CC[N@H+](CCC(=O)Nc2ccccc2SC)[C@H](C)C1 ZINC000566331560 532605534 /nfs/dbraw/zinc/60/55/34/532605534.db2.gz VIFJUZMNBCTLNI-CQSZACIVSA-N 1 2 385.555 2.093 20 0 GEADLO CCS(=O)(=O)N1CC[N@@H+](CCC(=O)Nc2ccccc2SC)[C@H](C)C1 ZINC000566331560 532605537 /nfs/dbraw/zinc/60/55/37/532605537.db2.gz VIFJUZMNBCTLNI-CQSZACIVSA-N 1 2 385.555 2.093 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cccc(F)c1Br)C2 ZINC000566343679 532606297 /nfs/dbraw/zinc/60/62/97/532606297.db2.gz XYXUPVBILVJPKK-NSHDSACASA-N 1 2 396.260 2.373 20 0 GEADLO COCC(=O)N1CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529520799 532606939 /nfs/dbraw/zinc/60/69/39/532606939.db2.gz MKYSSDXPIRIZPK-UHFFFAOYSA-N 1 2 399.314 2.191 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NS(=O)(=O)CCCCF)c2ccc(Cl)cc2)C1 ZINC000376326812 532607169 /nfs/dbraw/zinc/60/71/69/532607169.db2.gz DESGMNXGSOASIG-JKSUJKDBSA-N 1 2 378.897 2.381 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NS(=O)(=O)CCCCF)c2ccc(Cl)cc2)C1 ZINC000376326812 532607172 /nfs/dbraw/zinc/60/71/72/532607172.db2.gz DESGMNXGSOASIG-JKSUJKDBSA-N 1 2 378.897 2.381 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)C[C@@H]1CCCC(F)(F)C1)C(C)(C)CO ZINC000632393046 532609123 /nfs/dbraw/zinc/60/91/23/532609123.db2.gz FGLBWNAOJDCHMD-CHWSQXEVSA-N 1 2 379.473 2.225 20 0 GEADLO COc1cc(Br)c(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(OC)c1 ZINC000529667925 532611288 /nfs/dbraw/zinc/61/12/88/532611288.db2.gz APESLZGXBZVGPE-CALCHBBNSA-N 1 2 388.302 2.279 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(OC)c1 ZINC000529667925 532611294 /nfs/dbraw/zinc/61/12/94/532611294.db2.gz APESLZGXBZVGPE-CALCHBBNSA-N 1 2 388.302 2.279 20 0 GEADLO COc1cc(Cl)c(C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc1Cl ZINC000529665730 532611426 /nfs/dbraw/zinc/61/14/26/532611426.db2.gz QKEHDPFUDWKREU-UHFFFAOYSA-N 1 2 388.295 2.172 20 0 GEADLO COc1cc(Cl)c(C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc1Cl ZINC000529665730 532611428 /nfs/dbraw/zinc/61/14/28/532611428.db2.gz QKEHDPFUDWKREU-UHFFFAOYSA-N 1 2 388.295 2.172 20 0 GEADLO O=S(=O)(NCCC[NH+]1CCOCC1)c1cc(Cl)cc(Br)c1 ZINC000656613167 532622668 /nfs/dbraw/zinc/62/26/68/532622668.db2.gz HDNNYLXPAFVOLN-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1C[C@@H](O)COc1cccc(Br)c1 ZINC000376648647 532623309 /nfs/dbraw/zinc/62/33/09/532623309.db2.gz KMHNDDHYHJFSRK-YOEYROIRSA-N 1 2 376.316 2.032 20 0 GEADLO C[C@@H]1CC[S@](=O)CC[N@H+]1C[C@@H](O)COc1cccc(Br)c1 ZINC000376648647 532623316 /nfs/dbraw/zinc/62/33/16/532623316.db2.gz KMHNDDHYHJFSRK-YOEYROIRSA-N 1 2 376.316 2.032 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000632546130 532623942 /nfs/dbraw/zinc/62/39/42/532623942.db2.gz LXMXBAXEVYPQGO-AWEZNQCLSA-N 1 2 378.885 2.338 20 0 GEADLO CS[C@@H](C)CNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284829264 532625179 /nfs/dbraw/zinc/62/51/79/532625179.db2.gz WOUCTVZRMHMTJV-FZMZJTMJSA-N 1 2 380.901 2.147 20 0 GEADLO O=C(NCCc1ccc(I)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000598388077 532646035 /nfs/dbraw/zinc/64/60/35/532646035.db2.gz AXHJBHSGUFWBLG-CYBMUJFWSA-N 1 2 395.244 2.409 20 0 GEADLO Cn1cc(Br)cc(NC(=O)NCc2cn3ccccc3[nH+]2)c1=O ZINC000530722202 532627385 /nfs/dbraw/zinc/62/73/85/532627385.db2.gz BYLBQMGXJWETNY-UHFFFAOYSA-N 1 2 376.214 2.117 20 0 GEADLO C[NH+](C)Cc1nc(C(C)(C)NS(=O)(=O)CCc2ccccc2Cl)no1 ZINC000656737133 532629377 /nfs/dbraw/zinc/62/93/77/532629377.db2.gz FWQHQKGXGGIHRK-UHFFFAOYSA-N 1 2 386.905 2.182 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)c1cccs1 ZINC000284918449 532631556 /nfs/dbraw/zinc/63/15/56/532631556.db2.gz NCEBMODRECGFLZ-HUUCEWRRSA-N 1 2 378.519 2.428 20 0 GEADLO CN(CC(=O)NCc1ccn2cc[nH+]c2c1)C(=O)c1ccc(Br)o1 ZINC000474915056 532633264 /nfs/dbraw/zinc/63/32/64/532633264.db2.gz IWVKFRXBMHITGQ-UHFFFAOYSA-N 1 2 391.225 2.078 20 0 GEADLO C[C@H]([C@@H](C)[NH+]1CCOCC1)N1C(=O)N[C@H](c2ccccc2Br)C1=O ZINC000656802500 532633485 /nfs/dbraw/zinc/63/34/85/532633485.db2.gz DETFTOSCEUPABR-LALPHHSUSA-N 1 2 396.285 2.151 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2csc(I)c2)[C@@H](C)CO1 ZINC000598000470 532636123 /nfs/dbraw/zinc/63/61/23/532636123.db2.gz VCHIEEYOGQNOHZ-VHSXEESVSA-N 1 2 394.278 2.192 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2csc(I)c2)[C@@H](C)CO1 ZINC000598000470 532636129 /nfs/dbraw/zinc/63/61/29/532636129.db2.gz VCHIEEYOGQNOHZ-VHSXEESVSA-N 1 2 394.278 2.192 20 0 GEADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCn2cc(Br)cn2)C1 ZINC000377035125 532636978 /nfs/dbraw/zinc/63/69/78/532636978.db2.gz YBWNXKMDOCSRPX-ZDUSSCGKSA-N 1 2 395.305 2.043 20 0 GEADLO C[C@@H](O)CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000475058565 532637155 /nfs/dbraw/zinc/63/71/55/532637155.db2.gz ZHOMACLGMYHQOL-GFCCVEGCSA-N 1 2 381.325 2.461 20 0 GEADLO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656885536 532640153 /nfs/dbraw/zinc/64/01/53/532640153.db2.gz MQOKYFWONGXZHJ-KBXIAJHMSA-N 1 2 386.480 2.478 20 0 GEADLO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656885536 532640157 /nfs/dbraw/zinc/64/01/57/532640157.db2.gz MQOKYFWONGXZHJ-KBXIAJHMSA-N 1 2 386.480 2.478 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)C2(S(C)(=O)=O)CCC2)[C@H]1c1cccc(Cl)c1 ZINC000377091161 532642303 /nfs/dbraw/zinc/64/23/03/532642303.db2.gz MASRUXXGJDJFEO-GDBMZVCRSA-N 1 2 384.929 2.416 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)C2(S(C)(=O)=O)CCC2)[C@H]1c1cccc(Cl)c1 ZINC000377091161 532642310 /nfs/dbraw/zinc/64/23/10/532642310.db2.gz MASRUXXGJDJFEO-GDBMZVCRSA-N 1 2 384.929 2.416 20 0 GEADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCCn1cc(Br)cn1 ZINC000377092847 532642352 /nfs/dbraw/zinc/64/23/52/532642352.db2.gz YZXAVDQIIBQLCU-UKRRQHHQSA-N 1 2 392.301 2.319 20 0 GEADLO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C)nc1Cl ZINC000377121565 532644212 /nfs/dbraw/zinc/64/42/12/532644212.db2.gz VYMCYOGRDJTFJO-CQSZACIVSA-N 1 2 381.885 2.387 20 0 GEADLO Cc1ccc(I)c(C(=O)N(C)CC[NH+]2CCOCC2)c1 ZINC000263863270 532644942 /nfs/dbraw/zinc/64/49/42/532644942.db2.gz JYICSYVYOXILMW-UHFFFAOYSA-N 1 2 388.249 2.004 20 0 GEADLO C[S@@](=O)C1(CNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)CCC1 ZINC000437633211 532660419 /nfs/dbraw/zinc/66/04/19/532660419.db2.gz XAACOHNCFBMTGS-HSZRJFAPSA-N 1 2 399.314 2.197 20 0 GEADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)c1ccc2scc(Br)c2c1 ZINC000567722004 532660493 /nfs/dbraw/zinc/66/04/93/532660493.db2.gz HPYSKLMISVRFRS-LBPRGKRZSA-N 1 2 399.310 2.087 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(F)cc1Br ZINC000478788327 532661393 /nfs/dbraw/zinc/66/13/93/532661393.db2.gz SARWZAAVJUGTME-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)[C@@H](C)C1 ZINC000285238868 532662805 /nfs/dbraw/zinc/66/28/05/532662805.db2.gz GLJDEJSDTJCAHX-JTQLQIEISA-N 1 2 377.869 2.152 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)[C@@H](C)C1 ZINC000285238868 532662812 /nfs/dbraw/zinc/66/28/12/532662812.db2.gz GLJDEJSDTJCAHX-JTQLQIEISA-N 1 2 377.869 2.152 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cn1C ZINC000264168227 532663476 /nfs/dbraw/zinc/66/34/76/532663476.db2.gz ZNKNJKIMOPWZOD-OAHLLOKOSA-N 1 2 379.873 2.183 20 0 GEADLO CNC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000285252487 532663645 /nfs/dbraw/zinc/66/36/45/532663645.db2.gz OOPDOSFRSSYBDC-HNNXBMFYSA-N 1 2 377.897 2.363 20 0 GEADLO CNC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000285252487 532663650 /nfs/dbraw/zinc/66/36/50/532663650.db2.gz OOPDOSFRSSYBDC-HNNXBMFYSA-N 1 2 377.897 2.363 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)c1cc(N2CCOCC2)nc[nH+]1 ZINC000298712571 532669327 /nfs/dbraw/zinc/66/93/27/532669327.db2.gz WEOFDEAHDKJOAF-HNNXBMFYSA-N 1 2 393.285 2.246 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000298712571 532669331 /nfs/dbraw/zinc/66/93/31/532669331.db2.gz WEOFDEAHDKJOAF-HNNXBMFYSA-N 1 2 393.285 2.246 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000599567144 532665555 /nfs/dbraw/zinc/66/55/55/532665555.db2.gz MRQNOGPDIXRSDT-BZNIZROVSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000599567144 532665559 /nfs/dbraw/zinc/66/55/59/532665559.db2.gz MRQNOGPDIXRSDT-BZNIZROVSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000599567304 532666498 /nfs/dbraw/zinc/66/64/98/532666498.db2.gz WOYMASOBYYGARR-WMLDXEAASA-N 1 2 387.263 2.363 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000599567304 532666503 /nfs/dbraw/zinc/66/65/03/532666503.db2.gz WOYMASOBYYGARR-WMLDXEAASA-N 1 2 387.263 2.363 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000599567303 532666749 /nfs/dbraw/zinc/66/67/49/532666749.db2.gz WOYMASOBYYGARR-RHSMWYFYSA-N 1 2 387.263 2.363 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000599567303 532666751 /nfs/dbraw/zinc/66/67/51/532666751.db2.gz WOYMASOBYYGARR-RHSMWYFYSA-N 1 2 387.263 2.363 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000481168289 532666864 /nfs/dbraw/zinc/66/68/64/532666864.db2.gz HSELBIYRALZLBL-GFCCVEGCSA-N 1 2 378.274 2.361 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000481168289 532666874 /nfs/dbraw/zinc/66/68/74/532666874.db2.gz HSELBIYRALZLBL-GFCCVEGCSA-N 1 2 378.274 2.361 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(I)cc2)C1 ZINC000599566990 532666933 /nfs/dbraw/zinc/66/69/33/532666933.db2.gz UPIVYBQISJVXSU-AWEZNQCLSA-N 1 2 375.206 2.055 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000599566990 532666938 /nfs/dbraw/zinc/66/69/38/532666938.db2.gz UPIVYBQISJVXSU-AWEZNQCLSA-N 1 2 375.206 2.055 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000599564166 532666990 /nfs/dbraw/zinc/66/69/90/532666990.db2.gz GBKIQDLFRFLRNF-MEDUHNTESA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000599564166 532666996 /nfs/dbraw/zinc/66/69/96/532666996.db2.gz GBKIQDLFRFLRNF-MEDUHNTESA-N 1 2 385.258 2.040 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCc1ccc(I)cc1 ZINC000598395768 532647182 /nfs/dbraw/zinc/64/71/82/532647182.db2.gz SXTOMPFJZJIRHB-ZIAGYGMSSA-N 1 2 395.244 2.487 20 0 GEADLO Cc1csc(CCNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)n1 ZINC000632860008 532648479 /nfs/dbraw/zinc/64/84/79/532648479.db2.gz XDLNDWCZFBHPSA-UHFFFAOYSA-N 1 2 377.539 2.442 20 0 GEADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)o2)CC1 ZINC000298442617 532650426 /nfs/dbraw/zinc/65/04/26/532650426.db2.gz DEMRKLJOUTYDRQ-LLVKDONJSA-N 1 2 387.274 2.274 20 0 GEADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)o2)CC1 ZINC000298442617 532650432 /nfs/dbraw/zinc/65/04/32/532650432.db2.gz DEMRKLJOUTYDRQ-LLVKDONJSA-N 1 2 387.274 2.274 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCCCNC(=O)c1cccs1 ZINC000263938212 532651393 /nfs/dbraw/zinc/65/13/93/532651393.db2.gz DHVXKYKNZXCNSV-UHFFFAOYSA-N 1 2 395.286 2.419 20 0 GEADLO CC1CCC(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000437244150 532652483 /nfs/dbraw/zinc/65/24/83/532652483.db2.gz KQLPFFVADBTBIA-UHFFFAOYSA-N 1 2 381.420 2.055 20 0 GEADLO CN(C)C(=O)c1ccc(CNc2[nH+]cnc3c2c(Br)nn3C)cc1 ZINC000263974064 532653560 /nfs/dbraw/zinc/65/35/60/532653560.db2.gz WWVNQSKFDDDFJY-UHFFFAOYSA-N 1 2 389.257 2.440 20 0 GEADLO CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000263988668 532655226 /nfs/dbraw/zinc/65/52/26/532655226.db2.gz UIRSMBWYDFYJMA-LLVKDONJSA-N 1 2 395.257 2.188 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CSC(=S)N1CCC(C)CC1 ZINC000377380659 532656075 /nfs/dbraw/zinc/65/60/75/532656075.db2.gz RAPKICAIJOTMDW-HOTGVXAUSA-N 1 2 385.599 2.058 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000285217898 532657937 /nfs/dbraw/zinc/65/79/37/532657937.db2.gz FAWDXJKLQFEEQS-GXTWGEPZSA-N 1 2 376.881 2.104 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)Nc1nccs1 ZINC000377446588 532658512 /nfs/dbraw/zinc/65/85/12/532658512.db2.gz YNZVCKPBIYMZKJ-NSHDSACASA-N 1 2 379.873 2.481 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)Nc1nccs1 ZINC000377446588 532658516 /nfs/dbraw/zinc/65/85/16/532658516.db2.gz YNZVCKPBIYMZKJ-NSHDSACASA-N 1 2 379.873 2.481 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000285479169 532684526 /nfs/dbraw/zinc/68/45/26/532684526.db2.gz CNVGTOPEPZIBGL-LLVKDONJSA-N 1 2 388.287 2.104 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000285479169 532684533 /nfs/dbraw/zinc/68/45/33/532684533.db2.gz CNVGTOPEPZIBGL-LLVKDONJSA-N 1 2 388.287 2.104 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@@H]1C ZINC000534289479 532671014 /nfs/dbraw/zinc/67/10/14/532671014.db2.gz NACACGIOVAEEBC-RYUDHWBXSA-N 1 2 385.917 2.328 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@@H]1C ZINC000534289479 532671018 /nfs/dbraw/zinc/67/10/18/532671018.db2.gz NACACGIOVAEEBC-RYUDHWBXSA-N 1 2 385.917 2.328 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000298763419 532672502 /nfs/dbraw/zinc/67/25/02/532672502.db2.gz LLJVRAMIFLIKQA-LBPRGKRZSA-N 1 2 388.295 2.041 20 0 GEADLO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377912032 532672967 /nfs/dbraw/zinc/67/29/67/532672967.db2.gz JQEXEUNDUUDHMZ-ZETCQYMHSA-N 1 2 399.195 2.063 20 0 GEADLO O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377912032 532672973 /nfs/dbraw/zinc/67/29/73/532672973.db2.gz JQEXEUNDUUDHMZ-ZETCQYMHSA-N 1 2 399.195 2.063 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2c(Cl)cccc2C(=O)OC)CC1 ZINC000285366749 532674136 /nfs/dbraw/zinc/67/41/36/532674136.db2.gz AOLWDOFVYFGULS-UHFFFAOYSA-N 1 2 388.917 2.420 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2sccc2Br)C1 ZINC000378259153 532686692 /nfs/dbraw/zinc/68/66/92/532686692.db2.gz CBSVWQJIMXTOAV-SECBINFHSA-N 1 2 376.301 2.422 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000264454220 532675408 /nfs/dbraw/zinc/67/54/08/532675408.db2.gz QPKNLOLJWUQAQH-LBPRGKRZSA-N 1 2 379.302 2.296 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cl)c(I)c1 ZINC000600420149 532675991 /nfs/dbraw/zinc/67/59/91/532675991.db2.gz JNRLPNYWGOFWHY-SNVBAGLBSA-N 1 2 394.640 2.005 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cl)c(I)c1 ZINC000600420149 532675996 /nfs/dbraw/zinc/67/59/96/532675996.db2.gz JNRLPNYWGOFWHY-SNVBAGLBSA-N 1 2 394.640 2.005 20 0 GEADLO O=C(C[NH2+][C@H](CO)c1c(Cl)cccc1Cl)NC(=O)NCc1ccco1 ZINC000483254123 532676241 /nfs/dbraw/zinc/67/62/41/532676241.db2.gz FYMUDAXMIWZOHB-CYBMUJFWSA-N 1 2 386.235 2.235 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2cc(F)cc(Br)c2)[C@@H](C)CO1 ZINC000663765528 532686755 /nfs/dbraw/zinc/68/67/55/532686755.db2.gz FQHFLLJXBXNQIM-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cn1 ZINC000661108980 532678540 /nfs/dbraw/zinc/67/85/40/532678540.db2.gz SFHQLDGGICYOJT-JSGCOSHPSA-N 1 2 383.290 2.021 20 0 GEADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000264638350 532678972 /nfs/dbraw/zinc/67/89/72/532678972.db2.gz ULYMHXLUHDKHEV-RISCZKNCSA-N 1 2 378.416 2.246 20 0 GEADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000264638350 532678980 /nfs/dbraw/zinc/67/89/80/532678980.db2.gz ULYMHXLUHDKHEV-RISCZKNCSA-N 1 2 378.416 2.246 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2cc(F)cc(Br)c2)[C@@H](C)CO1 ZINC000663765528 532686761 /nfs/dbraw/zinc/68/67/61/532686761.db2.gz FQHFLLJXBXNQIM-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)c1cc(F)c(Cl)nc1Cl ZINC000378148756 532682365 /nfs/dbraw/zinc/68/23/65/532682365.db2.gz IFPVPYNBLBKQEJ-INIZCTEOSA-N 1 2 392.258 2.139 20 0 GEADLO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000378313761 532691344 /nfs/dbraw/zinc/69/13/44/532691344.db2.gz NCLKASHHJXYSAZ-MAUKXSAKSA-N 1 2 384.567 2.183 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCCc2cccc(Br)c2)[C@@H](C)CO1 ZINC000665108566 532693698 /nfs/dbraw/zinc/69/36/98/532693698.db2.gz KHBRTQQRFCSYKJ-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCc2cccc(Br)c2)[C@@H](C)CO1 ZINC000665108566 532693704 /nfs/dbraw/zinc/69/37/04/532693704.db2.gz KHBRTQQRFCSYKJ-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000536597865 532695555 /nfs/dbraw/zinc/69/55/55/532695555.db2.gz HRWLWBYAIDXESA-KBPBESRZSA-N 1 2 385.555 2.087 20 0 GEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000536597865 532695562 /nfs/dbraw/zinc/69/55/62/532695562.db2.gz HRWLWBYAIDXESA-KBPBESRZSA-N 1 2 385.555 2.087 20 0 GEADLO C[C@H](CS(C)(=O)=O)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000603586814 532697149 /nfs/dbraw/zinc/69/71/49/532697149.db2.gz PTDYEBPSVMFJNR-CJNGLKHVSA-N 1 2 387.933 2.209 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1cc(Br)ccc1F ZINC000285694590 532699321 /nfs/dbraw/zinc/69/93/21/532699321.db2.gz HEOOYQJXUMXDIZ-SWLSCSKDSA-N 1 2 385.277 2.452 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cnc(Br)c(Cl)c1 ZINC000285704116 532699575 /nfs/dbraw/zinc/69/95/75/532699575.db2.gz HPCALFBYJLCNHI-PWSUYJOCSA-N 1 2 388.693 2.433 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000266035274 532700619 /nfs/dbraw/zinc/70/06/19/532700619.db2.gz FJXRMDJHHGLSRK-IRXDYDNUSA-N 1 2 384.307 2.377 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ncccc1Br ZINC000382998097 532702188 /nfs/dbraw/zinc/70/21/88/532702188.db2.gz AHHLLTDUCVWNBP-HNNXBMFYSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ncccc1Br ZINC000382998097 532702193 /nfs/dbraw/zinc/70/21/93/532702193.db2.gz AHHLLTDUCVWNBP-HNNXBMFYSA-N 1 2 390.281 2.475 20 0 GEADLO CN([C@H](CO)c1cccc(Cl)c1Cl)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641609370 532702771 /nfs/dbraw/zinc/70/27/71/532702771.db2.gz UJEVEKNOKJVXJU-CYBMUJFWSA-N 1 2 378.281 2.185 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000378270966 532687099 /nfs/dbraw/zinc/68/70/99/532687099.db2.gz TWZVCOITHICGEG-NSHDSACASA-N 1 2 383.857 2.038 20 0 GEADLO O=C(c1ccc2[nH+]ccn2c1)N1CCNC(=O)c2ccc(Br)cc21 ZINC000439294679 532687839 /nfs/dbraw/zinc/68/78/39/532687839.db2.gz JFXVKDHNHIVEIM-UHFFFAOYSA-N 1 2 385.221 2.487 20 0 GEADLO O=C(c1c[nH]c2cccc(Br)c12)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000378311465 532689112 /nfs/dbraw/zinc/68/91/12/532689112.db2.gz DKOGTNDVJDBBNE-LBPRGKRZSA-N 1 2 378.270 2.477 20 0 GEADLO O[C@H](CNc1nc[nH+]c(NC[C@@H](O)C2CCC2)c1Br)C1CCC1 ZINC000663986935 532689339 /nfs/dbraw/zinc/68/93/39/532689339.db2.gz MLJHCLYJSFCXFP-CHWSQXEVSA-N 1 2 385.306 2.385 20 0 GEADLO COc1ccc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1Br ZINC000285535134 532689482 /nfs/dbraw/zinc/68/94/82/532689482.db2.gz UJLYNBNAQVRYEL-ZBFHGGJFSA-N 1 2 398.301 2.072 20 0 GEADLO COc1ccc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1Br ZINC000285535134 532689485 /nfs/dbraw/zinc/68/94/85/532689485.db2.gz UJLYNBNAQVRYEL-ZBFHGGJFSA-N 1 2 398.301 2.072 20 0 GEADLO C[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCN1S(C)(=O)=O ZINC000664409070 532691183 /nfs/dbraw/zinc/69/11/83/532691183.db2.gz KOQRRCLJUMQHIP-LLVKDONJSA-N 1 2 384.299 2.467 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000537103573 532703722 /nfs/dbraw/zinc/70/37/22/532703722.db2.gz FVJJQEAXIPMFHK-QMMMGPOBSA-N 1 2 384.811 2.314 20 0 GEADLO Cc1c(Br)ccnc1NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000569694935 532704459 /nfs/dbraw/zinc/70/44/59/532704459.db2.gz STQXZCUZZPFVND-SMDDNHRTSA-N 1 2 383.290 2.337 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000538732415 532718161 /nfs/dbraw/zinc/71/81/61/532718161.db2.gz LFJKGYWTLKUKKD-CYBMUJFWSA-N 1 2 399.314 2.092 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000538732415 532718166 /nfs/dbraw/zinc/71/81/66/532718166.db2.gz LFJKGYWTLKUKKD-CYBMUJFWSA-N 1 2 399.314 2.092 20 0 GEADLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccc(Br)cn1)C2 ZINC000266201341 532706771 /nfs/dbraw/zinc/70/67/71/532706771.db2.gz SPKQRWKPVGDWOO-UHFFFAOYSA-N 1 2 399.314 2.448 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000440267140 532708695 /nfs/dbraw/zinc/70/86/95/532708695.db2.gz FSZDPOSDTCGTKA-SNVBAGLBSA-N 1 2 375.416 2.284 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000440267140 532708700 /nfs/dbraw/zinc/70/87/00/532708700.db2.gz FSZDPOSDTCGTKA-SNVBAGLBSA-N 1 2 375.416 2.284 20 0 GEADLO CC(C)NC(=O)C(=O)N1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000489581348 532710047 /nfs/dbraw/zinc/71/00/47/532710047.db2.gz ZCPXDKHTPXESPL-UHFFFAOYSA-N 1 2 383.945 2.491 20 0 GEADLO CCN1C[C@@H]([NH2+]Cc2c(Br)cncc2Br)CC1=O ZINC000394575110 532710646 /nfs/dbraw/zinc/71/06/46/532710646.db2.gz QNWCIROMAGHYEP-QMMMGPOBSA-N 1 2 377.080 2.317 20 0 GEADLO Cc1cc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(F)cc1F ZINC000440414809 532712991 /nfs/dbraw/zinc/71/29/91/532712991.db2.gz KZWJAWURKRAQHD-STQMWFEESA-N 1 2 376.469 2.439 20 0 GEADLO CCCCN(C(=O)C[N@H+](CC)CCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000299426921 532715157 /nfs/dbraw/zinc/71/51/57/532715157.db2.gz TZUIHIHDUNRHJX-INIZCTEOSA-N 1 2 386.583 2.428 20 0 GEADLO CCCCN(C(=O)C[N@@H+](CC)CCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000299426921 532715165 /nfs/dbraw/zinc/71/51/65/532715165.db2.gz TZUIHIHDUNRHJX-INIZCTEOSA-N 1 2 386.583 2.428 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000285975362 532722943 /nfs/dbraw/zinc/72/29/43/532722943.db2.gz WVXWLOWHONYKKP-YPMHNXCESA-N 1 2 397.269 2.113 20 0 GEADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+](C)CC(=O)NCc1cccs1 ZINC000497388799 532723107 /nfs/dbraw/zinc/72/31/07/532723107.db2.gz KMBJMSXIJJEWIZ-ZDUSSCGKSA-N 1 2 377.535 2.331 20 0 GEADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000497388799 532723110 /nfs/dbraw/zinc/72/31/10/532723110.db2.gz KMBJMSXIJJEWIZ-ZDUSSCGKSA-N 1 2 377.535 2.331 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000409508061 532723625 /nfs/dbraw/zinc/72/36/25/532723625.db2.gz KZSWETZTEGYWOK-VXGBXAGGSA-N 1 2 391.331 2.312 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000409508061 532723626 /nfs/dbraw/zinc/72/36/26/532723626.db2.gz KZSWETZTEGYWOK-VXGBXAGGSA-N 1 2 391.331 2.312 20 0 GEADLO NC(=O)CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000266813786 532725800 /nfs/dbraw/zinc/72/58/00/532725800.db2.gz HSFSWYYZPIDXFU-OAHLLOKOSA-N 1 2 377.897 2.493 20 0 GEADLO NC(=O)CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000266813786 532725803 /nfs/dbraw/zinc/72/58/03/532725803.db2.gz HSFSWYYZPIDXFU-OAHLLOKOSA-N 1 2 377.897 2.493 20 0 GEADLO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)c(F)c2)c[nH+]1 ZINC000441768807 532726231 /nfs/dbraw/zinc/72/62/31/532726231.db2.gz UPYQFYBZNMHAKG-UHFFFAOYSA-N 1 2 395.232 2.304 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)CC[C@@H]21 ZINC000286104839 532728212 /nfs/dbraw/zinc/72/82/12/532728212.db2.gz VVFIXARFNXJLGO-VHDGCEQUSA-N 1 2 383.279 2.197 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)CC[C@@H]21 ZINC000286104839 532728219 /nfs/dbraw/zinc/72/82/19/532728219.db2.gz VVFIXARFNXJLGO-VHDGCEQUSA-N 1 2 383.279 2.197 20 0 GEADLO CS(=O)(=O)N1CCC[N@H+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000286112677 532730193 /nfs/dbraw/zinc/73/01/93/532730193.db2.gz VIZUCBATXNMCCB-UHFFFAOYSA-N 1 2 388.287 2.058 20 0 GEADLO CS(=O)(=O)N1CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000286112677 532730198 /nfs/dbraw/zinc/73/01/98/532730198.db2.gz VIZUCBATXNMCCB-UHFFFAOYSA-N 1 2 388.287 2.058 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000299601532 532730554 /nfs/dbraw/zinc/73/05/54/532730554.db2.gz GEEPIXOVOMOLSU-UHFFFAOYSA-N 1 2 384.479 2.376 20 0 GEADLO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)Oc1ccccc1Br ZINC000500048720 532731842 /nfs/dbraw/zinc/73/18/42/532731842.db2.gz LXTVJVIHNPRUHH-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000299650602 532732512 /nfs/dbraw/zinc/73/25/12/532732512.db2.gz PHCGDOOXLVAYJX-UHFFFAOYSA-N 1 2 381.479 2.008 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000408452933 532719507 /nfs/dbraw/zinc/71/95/07/532719507.db2.gz OSPKXZPTNQFGQE-AWEZNQCLSA-N 1 2 377.457 2.423 20 0 GEADLO CNC(=O)c1cccc(CNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000301156457 532742479 /nfs/dbraw/zinc/74/24/79/532742479.db2.gz NMLCGYXYFOURSR-UHFFFAOYSA-N 1 2 375.230 2.098 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Cc2cc(Cl)ccc2Br)CCO1 ZINC000676370407 532742738 /nfs/dbraw/zinc/74/27/38/532742738.db2.gz GNZFXBQKPLGNDN-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Cc2cc(Cl)ccc2Br)CCO1 ZINC000676370407 532742741 /nfs/dbraw/zinc/74/27/41/532742741.db2.gz GNZFXBQKPLGNDN-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO Cc1nc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)sc1C ZINC000676413799 532743360 /nfs/dbraw/zinc/74/33/60/532743360.db2.gz HAMVJKGDOCKYBS-UHFFFAOYSA-N 1 2 381.523 2.071 20 0 GEADLO NC(=O)c1cccc(C[S@](=O)Cc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000502872842 532744149 /nfs/dbraw/zinc/74/41/49/532744149.db2.gz RGDYYSPKXXNZHM-QHCPKHFHSA-N 1 2 393.266 2.040 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCc2sc(Br)cc2C1 ZINC000676415841 532744203 /nfs/dbraw/zinc/74/42/03/532744203.db2.gz DSPHECYODDIQBP-NSHDSACASA-N 1 2 388.331 2.299 20 0 GEADLO C[C@@H](CNc1cnn(C)c(=O)c1Br)[N@@H+]1CCc2sccc2C1 ZINC000301226561 532744805 /nfs/dbraw/zinc/74/48/05/532744805.db2.gz GJBYEKPISYHIKU-JTQLQIEISA-N 1 2 383.315 2.463 20 0 GEADLO C[C@@H](CNc1cnn(C)c(=O)c1Br)[N@H+]1CCc2sccc2C1 ZINC000301226561 532744810 /nfs/dbraw/zinc/74/48/10/532744810.db2.gz GJBYEKPISYHIKU-JTQLQIEISA-N 1 2 383.315 2.463 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCc1ccc(-n2cncn2)cc1 ZINC000301199436 532745315 /nfs/dbraw/zinc/74/53/15/532745315.db2.gz VQMDDQHTEBAXGH-UHFFFAOYSA-N 1 2 385.229 2.319 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000615090367 532745592 /nfs/dbraw/zinc/74/55/92/532745592.db2.gz QVALWGDMJOSNKI-GFCCVEGCSA-N 1 2 383.286 2.480 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000615090367 532745596 /nfs/dbraw/zinc/74/55/96/532745596.db2.gz QVALWGDMJOSNKI-GFCCVEGCSA-N 1 2 383.286 2.480 20 0 GEADLO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CC[NH+](CCO)CC1 ZINC000503342315 532745938 /nfs/dbraw/zinc/74/59/38/532745938.db2.gz LZQQKRQEMTTXNL-UHFFFAOYSA-N 1 2 394.269 2.163 20 0 GEADLO CN(C1CC[NH+](Cc2cc(F)cc(Br)c2)CC1)S(C)(=O)=O ZINC000267138362 532733962 /nfs/dbraw/zinc/73/39/62/532733962.db2.gz HAJQXTHJIDNIKL-UHFFFAOYSA-N 1 2 379.295 2.444 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000500708621 532734096 /nfs/dbraw/zinc/73/40/96/532734096.db2.gz HWBYXLIWJPMCQU-AWEZNQCLSA-N 1 2 382.917 2.254 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000500708621 532734102 /nfs/dbraw/zinc/73/41/02/532734102.db2.gz HWBYXLIWJPMCQU-AWEZNQCLSA-N 1 2 382.917 2.254 20 0 GEADLO O=C(CCc1cccc(F)c1Br)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614504598 532738335 /nfs/dbraw/zinc/73/83/35/532738335.db2.gz USTDOQOOFPQRHA-CQSZACIVSA-N 1 2 384.293 2.027 20 0 GEADLO O=C(CCc1cccc(F)c1Br)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614504598 532738336 /nfs/dbraw/zinc/73/83/36/532738336.db2.gz USTDOQOOFPQRHA-CQSZACIVSA-N 1 2 384.293 2.027 20 0 GEADLO O=C(CCCc1ccccc1Br)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614506005 532740130 /nfs/dbraw/zinc/74/01/30/532740130.db2.gz CWRVBDBBWYFADO-INIZCTEOSA-N 1 2 380.330 2.278 20 0 GEADLO O=C(CCCc1ccccc1Br)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614506005 532740133 /nfs/dbraw/zinc/74/01/33/532740133.db2.gz CWRVBDBBWYFADO-INIZCTEOSA-N 1 2 380.330 2.278 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c1Cl ZINC000443208751 532741918 /nfs/dbraw/zinc/74/19/18/532741918.db2.gz COGRFHYJBDLCDH-UHFFFAOYSA-N 1 2 381.325 2.379 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc2cccc(Br)c2n1 ZINC000301659801 532756367 /nfs/dbraw/zinc/75/63/67/532756367.db2.gz JJANFMWNHMPVGN-AWEZNQCLSA-N 1 2 380.286 2.127 20 0 GEADLO C[C@H]1CCN(c2ncnc3c2c(Br)nn3C)C[C@H]1n1cc[nH+]c1 ZINC000268250130 532758760 /nfs/dbraw/zinc/75/87/60/532758760.db2.gz JSGFAQPRGCMAAE-WDEREUQCSA-N 1 2 376.262 2.410 20 0 GEADLO CCS[C@@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000301728860 532758835 /nfs/dbraw/zinc/75/88/35/532758835.db2.gz RJJSAVDWJCTNMW-HZPDHXFCSA-N 1 2 384.571 2.104 20 0 GEADLO CNc1cc(I)ccc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000411386153 532759117 /nfs/dbraw/zinc/75/91/17/532759117.db2.gz JIYVEGFXWRWVNW-SNVBAGLBSA-N 1 2 384.221 2.348 20 0 GEADLO COCCOC[C@H](O)C[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000450775538 532759191 /nfs/dbraw/zinc/75/91/91/532759191.db2.gz PTCYQUMFHGNHOI-LLVKDONJSA-N 1 2 378.694 2.485 20 0 GEADLO COCCOC[C@H](O)C[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000450775538 532759198 /nfs/dbraw/zinc/75/91/98/532759198.db2.gz PTCYQUMFHGNHOI-LLVKDONJSA-N 1 2 378.694 2.485 20 0 GEADLO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)ncc1Br ZINC000301826585 532760443 /nfs/dbraw/zinc/76/04/43/532760443.db2.gz FGRVDXXNVWHDSS-AWEZNQCLSA-N 1 2 381.318 2.285 20 0 GEADLO Cc1cc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)ncc1Br ZINC000301803684 532760480 /nfs/dbraw/zinc/76/04/80/532760480.db2.gz AYDGJOSVZUNBLL-UHFFFAOYSA-N 1 2 381.318 2.287 20 0 GEADLO Nc1c(NCCOc2ccc(Br)cc2)[nH+]cnc1-n1cccn1 ZINC000301785133 532760514 /nfs/dbraw/zinc/76/05/14/532760514.db2.gz PBCICUUKKDBGCN-UHFFFAOYSA-N 1 2 375.230 2.498 20 0 GEADLO Cc1nn2cc(S(=O)(=O)NCc3[nH+]ccn3CC(C)C)cnc2c1Cl ZINC000541861942 532760549 /nfs/dbraw/zinc/76/05/49/532760549.db2.gz MDFUZVMHJMOCSB-UHFFFAOYSA-N 1 2 382.877 2.022 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCCS(=O)(=O)C1)c1ccsc1 ZINC000286673357 532761418 /nfs/dbraw/zinc/76/14/18/532761418.db2.gz YDRQQWFMCRFSKE-GOEBONIOSA-N 1 2 387.571 2.255 20 0 GEADLO CS[C@@H](C)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000580486648 532748430 /nfs/dbraw/zinc/74/84/30/532748430.db2.gz NJLFLCKILKZMLR-AWEZNQCLSA-N 1 2 383.945 2.242 20 0 GEADLO CS[C@@H](C)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000580486648 532748434 /nfs/dbraw/zinc/74/84/34/532748434.db2.gz NJLFLCKILKZMLR-AWEZNQCLSA-N 1 2 383.945 2.242 20 0 GEADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000616161181 532750271 /nfs/dbraw/zinc/75/02/71/532750271.db2.gz AUHKAFOGZPUALK-GFCCVEGCSA-N 1 2 394.269 2.243 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000616161181 532750275 /nfs/dbraw/zinc/75/02/75/532750275.db2.gz AUHKAFOGZPUALK-GFCCVEGCSA-N 1 2 394.269 2.243 20 0 GEADLO CN(C)c1ncc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cn1 ZINC000506209051 532752238 /nfs/dbraw/zinc/75/22/38/532752238.db2.gz YBFNFUJEYWVETG-UHFFFAOYSA-N 1 2 377.290 2.022 20 0 GEADLO O=S(=O)([C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1)N1CCOCC1 ZINC000445806614 532753127 /nfs/dbraw/zinc/75/31/27/532753127.db2.gz XXNZWUQWEBFDOF-HNNXBMFYSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)([C@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1)N1CCOCC1 ZINC000445806614 532753130 /nfs/dbraw/zinc/75/31/30/532753130.db2.gz XXNZWUQWEBFDOF-HNNXBMFYSA-N 1 2 376.881 2.106 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc2cc(Br)ccc2n1 ZINC000301540582 532753350 /nfs/dbraw/zinc/75/33/50/532753350.db2.gz BTRKZYRBRPFKAV-HNNXBMFYSA-N 1 2 380.286 2.127 20 0 GEADLO CC[C@@H]([NH2+]CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)c1nc(C)cs1 ZINC000542556845 532775103 /nfs/dbraw/zinc/77/51/03/532775103.db2.gz XZLWIIVEURTZFF-HUUCEWRRSA-N 1 2 387.571 2.164 20 0 GEADLO O=S(=O)(NCCNc1cc(N2CCCC2)nc[nH+]1)c1ccc(Cl)s1 ZINC000302819970 532775373 /nfs/dbraw/zinc/77/53/73/532775373.db2.gz CUJVRPHAOKTGLK-UHFFFAOYSA-N 1 2 387.918 2.182 20 0 GEADLO O=S(=O)(NCCNc1cc(N2CCCC2)[nH+]cn1)c1ccc(Cl)s1 ZINC000302819970 532775377 /nfs/dbraw/zinc/77/53/77/532775377.db2.gz CUJVRPHAOKTGLK-UHFFFAOYSA-N 1 2 387.918 2.182 20 0 GEADLO COc1cc[nH+]cc1COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000286942324 532776946 /nfs/dbraw/zinc/77/69/46/532776946.db2.gz JZFSPFPGLJIHEC-ZDUSSCGKSA-N 1 2 382.463 2.048 20 0 GEADLO Cc1nc(CNC(=O)C(=O)Nc2ccc(C)[nH+]c2C)sc1Br ZINC000453828860 532777105 /nfs/dbraw/zinc/77/71/05/532777105.db2.gz MCQKHNMVHPQNBY-UHFFFAOYSA-N 1 2 383.271 2.481 20 0 GEADLO Cc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(Br)n1 ZINC000286982026 532777130 /nfs/dbraw/zinc/77/71/30/532777130.db2.gz FSSNDXQDMQZGSR-QWHCGFSZSA-N 1 2 383.290 2.479 20 0 GEADLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1csc(-c2cccc(Cl)c2)n1 ZINC000512899155 532778551 /nfs/dbraw/zinc/77/85/51/532778551.db2.gz APQPJBREHQYHMM-UHFFFAOYSA-N 1 2 378.885 2.015 20 0 GEADLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1csc(-c2cccc(Cl)c2)n1 ZINC000512899155 532778553 /nfs/dbraw/zinc/77/85/53/532778553.db2.gz APQPJBREHQYHMM-UHFFFAOYSA-N 1 2 378.885 2.015 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000455290186 532779578 /nfs/dbraw/zinc/77/95/78/532779578.db2.gz FMAHBCNTDZAWAR-ZDUSSCGKSA-N 1 2 385.237 2.337 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ncc(Br)s2)CC1 ZINC000542131196 532765054 /nfs/dbraw/zinc/76/50/54/532765054.db2.gz QVNZBROAUZBOFY-UHFFFAOYSA-N 1 2 389.363 2.282 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2ncc(Br)s2)CC1 ZINC000542131196 532765057 /nfs/dbraw/zinc/76/50/57/532765057.db2.gz QVNZBROAUZBOFY-UHFFFAOYSA-N 1 2 389.363 2.282 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)CCc2ccc(Cl)s2)C1=O ZINC000542153095 532765757 /nfs/dbraw/zinc/76/57/57/532765757.db2.gz FGQGQVGGCCSFCR-ZDUSSCGKSA-N 1 2 380.901 2.375 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2ccc(Br)s2)C1=O ZINC000542153622 532765793 /nfs/dbraw/zinc/76/57/93/532765793.db2.gz ADCMLUCRZJILHQ-SNVBAGLBSA-N 1 2 397.298 2.165 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000268495426 532767262 /nfs/dbraw/zinc/76/72/62/532767262.db2.gz QDJFTGGBULZRBC-UHFFFAOYSA-N 1 2 390.267 2.304 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000268495426 532767265 /nfs/dbraw/zinc/76/72/65/532767265.db2.gz QDJFTGGBULZRBC-UHFFFAOYSA-N 1 2 390.267 2.304 20 0 GEADLO CC(C)N(Cc1cccc(Br)c1)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000286878702 532773926 /nfs/dbraw/zinc/77/39/26/532773926.db2.gz NXSFIJKMRZZYOW-UHFFFAOYSA-N 1 2 393.285 2.236 20 0 GEADLO COc1ccc(C[C@@H](CO)CNC(=O)c2c[nH+]c(C)[nH]2)cc1Br ZINC000456492054 532782668 /nfs/dbraw/zinc/78/26/68/532782668.db2.gz LXSBDIODMLGSNO-GFCCVEGCSA-N 1 2 382.258 2.070 20 0 GEADLO OC[C@H]([NH2+]Cc1noc(Cc2ccc(Br)cc2)n1)[C@H]1CCCOC1 ZINC000411982535 532782726 /nfs/dbraw/zinc/78/27/26/532782726.db2.gz BLAGYQMPWXWCFZ-ZFWWWQNUSA-N 1 2 396.285 2.300 20 0 GEADLO COc1ccc(C[C@H](CO)CNC(=O)CCc2c[nH+]c[nH]2)cc1Br ZINC000456499156 532783152 /nfs/dbraw/zinc/78/31/52/532783152.db2.gz RAWFZOIVRWJCLS-ZDUSSCGKSA-N 1 2 396.285 2.081 20 0 GEADLO COc1ccc(C[C@H](CO)CNC(=O)CCc2c[nH]c[nH+]2)cc1Br ZINC000456499156 532783155 /nfs/dbraw/zinc/78/31/55/532783155.db2.gz RAWFZOIVRWJCLS-ZDUSSCGKSA-N 1 2 396.285 2.081 20 0 GEADLO CNC(=O)NC1CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000412055308 532783940 /nfs/dbraw/zinc/78/39/40/532783940.db2.gz OVZDWVDFOJRFKJ-UHFFFAOYSA-N 1 2 394.273 2.393 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Cl)c(Br)c1 ZINC000318533443 532784822 /nfs/dbraw/zinc/78/48/22/532784822.db2.gz UGBNPDVQOJXFFQ-LBPRGKRZSA-N 1 2 386.633 2.340 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Cl)c(Br)c1 ZINC000318533443 532784825 /nfs/dbraw/zinc/78/48/25/532784825.db2.gz UGBNPDVQOJXFFQ-LBPRGKRZSA-N 1 2 386.633 2.340 20 0 GEADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc(Cl)c(Br)cc1F ZINC000457093789 532785390 /nfs/dbraw/zinc/78/53/90/532785390.db2.gz HCKCPQLZHIVDTR-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(Cl)c(Br)cc1F ZINC000457093789 532785392 /nfs/dbraw/zinc/78/53/92/532785392.db2.gz HCKCPQLZHIVDTR-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000457101882 532786213 /nfs/dbraw/zinc/78/62/13/532786213.db2.gz QJIVSSYLOGOVOH-CQSZACIVSA-N 1 2 397.313 2.327 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000457101882 532786215 /nfs/dbraw/zinc/78/62/15/532786215.db2.gz QJIVSSYLOGOVOH-CQSZACIVSA-N 1 2 397.313 2.327 20 0 GEADLO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457103984 532786448 /nfs/dbraw/zinc/78/64/48/532786448.db2.gz CNJGADLTVLOABY-QWHCGFSZSA-N 1 2 387.343 2.455 20 0 GEADLO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457103984 532786450 /nfs/dbraw/zinc/78/64/50/532786450.db2.gz CNJGADLTVLOABY-QWHCGFSZSA-N 1 2 387.343 2.455 20 0 GEADLO Cc1nc(NCCc2ccc(S(N)(=O)=O)cc2)c(Br)c(C)[nH+]1 ZINC000322862643 532788738 /nfs/dbraw/zinc/78/87/38/532788738.db2.gz CIVSLXRLSLGEJR-UHFFFAOYSA-N 1 2 385.287 2.158 20 0 GEADLO C[NH+](C)Cc1csc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)n1 ZINC000457301776 532789689 /nfs/dbraw/zinc/78/96/89/532789689.db2.gz YKWDKYIDUNNFCE-UHFFFAOYSA-N 1 2 386.499 2.127 20 0 GEADLO C[NH+](C)Cc1csc(NC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)n1 ZINC000457317528 532789860 /nfs/dbraw/zinc/78/98/60/532789860.db2.gz SABZJEAAEGBGDR-HNNXBMFYSA-N 1 2 381.523 2.362 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)cc(Br)c2)C1 ZINC000412373188 532790123 /nfs/dbraw/zinc/79/01/23/532790123.db2.gz RQHBZMJPXFGZLV-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C)cc(Br)c2)C1 ZINC000412373188 532790124 /nfs/dbraw/zinc/79/01/24/532790124.db2.gz RQHBZMJPXFGZLV-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO CC[C@@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@@H](O)C(F)F ZINC000457932648 532791675 /nfs/dbraw/zinc/79/16/75/532791675.db2.gz BWPIVJDGUFQBAB-ZYHUDNBSSA-N 1 2 391.216 2.301 20 0 GEADLO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000412489926 532793907 /nfs/dbraw/zinc/79/39/07/532793907.db2.gz OOYVBWOEVCALJI-AWEZNQCLSA-N 1 2 390.958 2.187 20 0 GEADLO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000412489926 532793909 /nfs/dbraw/zinc/79/39/09/532793909.db2.gz OOYVBWOEVCALJI-AWEZNQCLSA-N 1 2 390.958 2.187 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000328676838 532794528 /nfs/dbraw/zinc/79/45/28/532794528.db2.gz LQAWEQYDOUYIHY-NWDGAFQWSA-N 1 2 384.502 2.419 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000328676838 532794533 /nfs/dbraw/zinc/79/45/33/532794533.db2.gz LQAWEQYDOUYIHY-NWDGAFQWSA-N 1 2 384.502 2.419 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000412551187 532794906 /nfs/dbraw/zinc/79/49/06/532794906.db2.gz LBSMSQJHYAAEIG-UHFFFAOYSA-N 1 2 391.295 2.178 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000554954218 532806760 /nfs/dbraw/zinc/80/67/60/532806760.db2.gz KJLDBVSHSSTOJW-OLZOCXBDSA-N 1 2 380.432 2.401 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)c1ncccc1S(C)(=O)=O)c1ccsc1 ZINC000413154279 532807016 /nfs/dbraw/zinc/80/70/16/532807016.db2.gz NHBOGRQZQPCSFX-AWEZNQCLSA-N 1 2 381.523 2.360 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)c1ncccc1S(C)(=O)=O)c1ccsc1 ZINC000413154356 532807092 /nfs/dbraw/zinc/80/70/92/532807092.db2.gz NHBOGRQZQPCSFX-CQSZACIVSA-N 1 2 381.523 2.360 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000554953498 532807078 /nfs/dbraw/zinc/80/70/78/532807078.db2.gz AFOHFUMRSACGLW-GFCCVEGCSA-N 1 2 380.432 2.260 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000555695956 532808645 /nfs/dbraw/zinc/80/86/45/532808645.db2.gz KVVCBUOCGXWBPO-SNVBAGLBSA-N 1 2 376.259 2.474 20 0 GEADLO O=S(=O)(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(Cl)ccc1F ZINC000556371538 532810721 /nfs/dbraw/zinc/81/07/21/532810721.db2.gz JHZNCMNDNPABDL-GJZGRUSLSA-N 1 2 376.881 2.401 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000287826576 532810760 /nfs/dbraw/zinc/81/07/60/532810760.db2.gz LEASQQIZOCCLIF-UHFFFAOYSA-N 1 2 395.223 2.249 20 0 GEADLO COC(=O)[C@@]1(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)CCSC1 ZINC000270399077 532797418 /nfs/dbraw/zinc/79/74/18/532797418.db2.gz CFLBYBYGMOYPCB-QGZVFWFLSA-N 1 2 379.507 2.041 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000461037247 532799787 /nfs/dbraw/zinc/79/97/87/532799787.db2.gz HVQXFCGIEBHWPH-ZDUSSCGKSA-N 1 2 393.285 2.284 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@@H+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@@H]21 ZINC000329004218 532801336 /nfs/dbraw/zinc/80/13/36/532801336.db2.gz YGIYYOHMIWTPLZ-ZJUUUORDSA-N 1 2 398.286 2.363 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@H+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@@H]21 ZINC000329004218 532801337 /nfs/dbraw/zinc/80/13/37/532801337.db2.gz YGIYYOHMIWTPLZ-ZJUUUORDSA-N 1 2 398.286 2.363 20 0 GEADLO Cc1nn2c(C[NH+]3CCC(N(C)S(C)(=O)=O)CC3)c(C(C)C)nc2s1 ZINC000329155072 532802852 /nfs/dbraw/zinc/80/28/52/532802852.db2.gz CHHBVDUPRCLIPO-UHFFFAOYSA-N 1 2 385.559 2.078 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@@H](NS(=O)(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000329863151 532812851 /nfs/dbraw/zinc/81/28/51/532812851.db2.gz YYIVNKSRVTXRNL-SJORKVTESA-N 1 2 387.933 2.078 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@@H](NS(=O)(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000329863151 532812853 /nfs/dbraw/zinc/81/28/53/532812853.db2.gz YYIVNKSRVTXRNL-SJORKVTESA-N 1 2 387.933 2.078 20 0 GEADLO Nc1[nH+]cnc(NC[C@@H](CO)Cc2cc(F)cc(Br)c2)c1Cl ZINC000413434911 532812219 /nfs/dbraw/zinc/81/22/19/532812219.db2.gz LLUWNADUGIODKD-VIFPVBQESA-N 1 2 389.656 2.877 20 0 GEADLO Nc1nc[nH+]c(NC[C@@H](CO)Cc2cc(F)cc(Br)c2)c1Cl ZINC000413434911 532812223 /nfs/dbraw/zinc/81/22/23/532812223.db2.gz LLUWNADUGIODKD-VIFPVBQESA-N 1 2 389.656 2.877 20 0 GEADLO CN1CCO[C@H]2C[N@H+](Cc3nc(-c4cccc(Br)c4)no3)C[C@H]21 ZINC000330285643 532816703 /nfs/dbraw/zinc/81/67/03/532816703.db2.gz ZEXIFTIMKRGTLW-KGLIPLIRSA-N 1 2 379.258 2.014 20 0 GEADLO CN1CCO[C@H]2C[N@@H+](Cc3nc(-c4cccc(Br)c4)no3)C[C@H]21 ZINC000330285643 532816706 /nfs/dbraw/zinc/81/67/06/532816706.db2.gz ZEXIFTIMKRGTLW-KGLIPLIRSA-N 1 2 379.258 2.014 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)C[C@H]21 ZINC000330285643 532816708 /nfs/dbraw/zinc/81/67/08/532816708.db2.gz ZEXIFTIMKRGTLW-KGLIPLIRSA-N 1 2 379.258 2.014 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)C[C@H]21 ZINC000330285643 532816711 /nfs/dbraw/zinc/81/67/11/532816711.db2.gz ZEXIFTIMKRGTLW-KGLIPLIRSA-N 1 2 379.258 2.014 20 0 GEADLO Cc1cc(Br)c2c(c1)C[N@@H+](CC1(O)CCS(=O)(=O)CC1)CC2 ZINC000330270352 532817010 /nfs/dbraw/zinc/81/70/10/532817010.db2.gz UAVFOBOULALGJX-UHFFFAOYSA-N 1 2 388.327 2.055 20 0 GEADLO Cc1cc(Br)c2c(c1)C[N@H+](CC1(O)CCS(=O)(=O)CC1)CC2 ZINC000330270352 532817011 /nfs/dbraw/zinc/81/70/11/532817011.db2.gz UAVFOBOULALGJX-UHFFFAOYSA-N 1 2 388.327 2.055 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[N@@H+]1C[C@H](C)O ZINC000330478886 532819401 /nfs/dbraw/zinc/81/94/01/532819401.db2.gz NJZADCVESFTLCQ-QWRGUYRKSA-N 1 2 382.860 2.084 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC[N@H+]1C[C@H](C)O ZINC000330478886 532819402 /nfs/dbraw/zinc/81/94/02/532819402.db2.gz NJZADCVESFTLCQ-QWRGUYRKSA-N 1 2 382.860 2.084 20 0 GEADLO CCOC(=O)c1cc(Cl)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000414148748 532819514 /nfs/dbraw/zinc/81/95/14/532819514.db2.gz TXXYLEMSNSDNBB-CYBMUJFWSA-N 1 2 391.295 2.157 20 0 GEADLO CN(C)C(=O)Cc1nc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cs1 ZINC000273158329 532820320 /nfs/dbraw/zinc/82/03/20/532820320.db2.gz YPXJCGJLUQTGJI-AWEZNQCLSA-N 1 2 398.326 2.360 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CCn3cc[nH+]c3)nc12 ZINC000273247048 532821516 /nfs/dbraw/zinc/82/15/16/532821516.db2.gz GITLVFGJTZAJED-UHFFFAOYSA-N 1 2 376.258 2.351 20 0 GEADLO CNC(=O)[C@H]([NH2+]Cc1c(Br)cncc1Br)C(C)C ZINC000414358547 532822616 /nfs/dbraw/zinc/82/26/16/532822616.db2.gz HFJSCCCUXOWMJV-LLVKDONJSA-N 1 2 379.096 2.467 20 0 GEADLO CS(=O)(=O)c1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000273329093 532822868 /nfs/dbraw/zinc/82/28/68/532822868.db2.gz LRYPSTOKBYRDDV-UHFFFAOYSA-N 1 2 380.432 2.181 20 0 GEADLO COC(=O)[C@@H](CF)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000288370233 532825386 /nfs/dbraw/zinc/82/53/86/532825386.db2.gz QSAHJSBYLHMNDZ-KGLIPLIRSA-N 1 2 387.249 2.213 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H](O)C(C)C)[nH+]c12 ZINC000273585665 532827163 /nfs/dbraw/zinc/82/71/63/532827163.db2.gz QMCVQEWHBNYLNQ-AWEZNQCLSA-N 1 2 383.290 2.264 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCS[C@H](C)[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000330809370 532827468 /nfs/dbraw/zinc/82/74/68/532827468.db2.gz IWJOTKMBWATPFZ-ZIAGYGMSSA-N 1 2 385.555 2.010 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@H](C)[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000330809370 532827471 /nfs/dbraw/zinc/82/74/71/532827471.db2.gz IWJOTKMBWATPFZ-ZIAGYGMSSA-N 1 2 385.555 2.010 20 0 GEADLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)s1 ZINC000273609978 532827958 /nfs/dbraw/zinc/82/79/58/532827958.db2.gz NPNFTCPBZHVHIA-QMMMGPOBSA-N 1 2 390.437 2.132 20 0 GEADLO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414456884 532828339 /nfs/dbraw/zinc/82/83/39/532828339.db2.gz VALGDGNGJFFFDH-SFHVURJKSA-N 1 2 379.503 2.468 20 0 GEADLO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414456884 532828340 /nfs/dbraw/zinc/82/83/40/532828340.db2.gz VALGDGNGJFFFDH-SFHVURJKSA-N 1 2 379.503 2.468 20 0 GEADLO OC[C@H]1C[N@H+](Cc2ccc(Br)c(Br)c2)CC[C@@H]1O ZINC000414554345 532831688 /nfs/dbraw/zinc/83/16/88/532831688.db2.gz GWLUNUFCBHURRP-MFKMUULPSA-N 1 2 379.092 2.387 20 0 GEADLO OC[C@H]1C[N@@H+](Cc2ccc(Br)c(Br)c2)CC[C@@H]1O ZINC000414554345 532831689 /nfs/dbraw/zinc/83/16/89/532831689.db2.gz GWLUNUFCBHURRP-MFKMUULPSA-N 1 2 379.092 2.387 20 0 GEADLO CNC(=O)NC1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC1 ZINC000414541731 532832057 /nfs/dbraw/zinc/83/20/57/532832057.db2.gz JMDWNBXKIHYVEM-UHFFFAOYSA-N 1 2 380.290 2.299 20 0 GEADLO Cc1cc(S(=O)(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)sc1Cl ZINC000331001022 532832207 /nfs/dbraw/zinc/83/22/07/532832207.db2.gz FMLWFLVFBBHFHA-UHFFFAOYSA-N 1 2 379.979 2.404 20 0 GEADLO OC[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2)CC[C@H]1O ZINC000414559933 532832381 /nfs/dbraw/zinc/83/23/81/532832381.db2.gz PZFAZLUHDRKJTE-ZWNOBZJWSA-N 1 2 379.092 2.387 20 0 GEADLO OC[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2)CC[C@H]1O ZINC000414559933 532832382 /nfs/dbraw/zinc/83/23/82/532832382.db2.gz PZFAZLUHDRKJTE-ZWNOBZJWSA-N 1 2 379.092 2.387 20 0 GEADLO Ic1cncc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)c1 ZINC000273785386 532834055 /nfs/dbraw/zinc/83/40/55/532834055.db2.gz GDPILSFANPSLPX-LBPRGKRZSA-N 1 2 398.204 2.272 20 0 GEADLO CC(C)[N@@H+](Cc1ncc(I)s1)C[C@H]1CCC(=O)N1 ZINC000414586739 532833246 /nfs/dbraw/zinc/83/32/46/532833246.db2.gz UTSMXCINCWNDMD-SECBINFHSA-N 1 2 379.267 2.237 20 0 GEADLO CC(C)[N@H+](Cc1ncc(I)s1)C[C@H]1CCC(=O)N1 ZINC000414586739 532833248 /nfs/dbraw/zinc/83/32/48/532833248.db2.gz UTSMXCINCWNDMD-SECBINFHSA-N 1 2 379.267 2.237 20 0 GEADLO Ic1cncc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)c1 ZINC000273785386 532834053 /nfs/dbraw/zinc/83/40/53/532834053.db2.gz GDPILSFANPSLPX-LBPRGKRZSA-N 1 2 398.204 2.272 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000331193601 532835811 /nfs/dbraw/zinc/83/58/11/532835811.db2.gz RAPRIQZNNONFCJ-DGCLKSJQSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000331193601 532835813 /nfs/dbraw/zinc/83/58/13/532835813.db2.gz RAPRIQZNNONFCJ-DGCLKSJQSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@H]1C ZINC000331231819 532836337 /nfs/dbraw/zinc/83/63/37/532836337.db2.gz QXAVUDIJPQIMNG-ZJUUUORDSA-N 1 2 385.288 2.208 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@H]1C ZINC000331231819 532836341 /nfs/dbraw/zinc/83/63/41/532836341.db2.gz QXAVUDIJPQIMNG-ZJUUUORDSA-N 1 2 385.288 2.208 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)c3c(C)c(C)n[nH]c3=O)[nH+]c12 ZINC000273823394 532835411 /nfs/dbraw/zinc/83/54/11/532835411.db2.gz FKTSYLXOFVUEEE-UHFFFAOYSA-N 1 2 390.241 2.035 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000288773817 532837551 /nfs/dbraw/zinc/83/75/51/532837551.db2.gz BFWDZUDHMGNPKF-WDEREUQCSA-N 1 2 394.273 2.067 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000288773817 532837554 /nfs/dbraw/zinc/83/75/54/532837554.db2.gz BFWDZUDHMGNPKF-WDEREUQCSA-N 1 2 394.273 2.067 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000273955647 532838241 /nfs/dbraw/zinc/83/82/41/532838241.db2.gz FXRSHPYMGVXOIA-GJZGRUSLSA-N 1 2 379.507 2.179 20 0 GEADLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000097151097 209242034 /nfs/dbraw/zinc/24/20/34/209242034.db2.gz GZPHPWDCTGODGQ-UHFFFAOYSA-N 1 2 393.422 2.395 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](S(C)(=O)=O)C1)c1ccsc1 ZINC000274009052 532839132 /nfs/dbraw/zinc/83/91/32/532839132.db2.gz GKRKQNPRXBVAIG-CVEARBPZSA-N 1 2 387.571 2.350 20 0 GEADLO C[C@@H]1C[C@]2(C[C@H]2C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCO1 ZINC000359977138 209209821 /nfs/dbraw/zinc/20/98/21/209209821.db2.gz VRGVGQFVUVQZIW-AGHHOFFYSA-N 1 2 388.508 2.219 20 0 GEADLO O=C(NCCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)c1c(F)cccc1F ZINC000359907834 209201635 /nfs/dbraw/zinc/20/16/35/209201635.db2.gz ZMHBHZLTRVQNFI-CQSZACIVSA-N 1 2 388.418 2.122 20 0 GEADLO C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3[nH+]ccn3C)ccc2N1S(C)(=O)=O ZINC000359898896 209200596 /nfs/dbraw/zinc/20/05/96/209200596.db2.gz NFZHFZAHGSXNKH-CXAGYDPISA-N 1 2 388.493 2.108 20 0 GEADLO CCCC[C@H](NC(N)=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274117337 532841342 /nfs/dbraw/zinc/84/13/42/532841342.db2.gz AFXDIALPGVHTRB-ZDUSSCGKSA-N 1 2 396.289 2.249 20 0 GEADLO CCN1CCN(S(=O)(=O)c2ccccc2Br)C[C@H]1c1[nH]cc[nH+]1 ZINC000328642810 209152654 /nfs/dbraw/zinc/15/26/54/209152654.db2.gz YMOKIMDOCVVYKR-ZDUSSCGKSA-N 1 2 399.314 2.240 20 0 GEADLO CC(=O)c1cccc(NC(=O)C[N@H+](C)CCn2cc(Br)cn2)c1 ZINC000288918730 532842370 /nfs/dbraw/zinc/84/23/70/532842370.db2.gz UVCMORVSXQRNPZ-UHFFFAOYSA-N 1 2 379.258 2.419 20 0 GEADLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)CCn2cc(Br)cn2)c1 ZINC000288918730 532842373 /nfs/dbraw/zinc/84/23/73/532842373.db2.gz UVCMORVSXQRNPZ-UHFFFAOYSA-N 1 2 379.258 2.419 20 0 GEADLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000274209388 532844271 /nfs/dbraw/zinc/84/42/71/532844271.db2.gz OXRHWXPKUFFXSQ-ZDUSSCGKSA-N 1 2 391.331 2.152 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000274241828 532845387 /nfs/dbraw/zinc/84/53/87/532845387.db2.gz XZVOFXBKSIXWKN-CHWSQXEVSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000274241828 532845390 /nfs/dbraw/zinc/84/53/90/532845390.db2.gz XZVOFXBKSIXWKN-CHWSQXEVSA-N 1 2 382.309 2.242 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000274268765 532846301 /nfs/dbraw/zinc/84/63/01/532846301.db2.gz ADCVFEICZPUOTE-UHFFFAOYSA-N 1 2 381.416 2.248 20 0 GEADLO CO[C@@H]1CCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)[C@@H](C[NH3+])C1 ZINC000415478170 532846958 /nfs/dbraw/zinc/84/69/58/532846958.db2.gz FZMWGYYQEHCHQV-GHMZBOCLSA-N 1 2 381.889 2.250 20 0 GEADLO NC(=O)c1cccnc1N1CC[NH+](Cc2cscc2Br)CC1 ZINC000289095089 532847538 /nfs/dbraw/zinc/84/75/38/532847538.db2.gz LPWRDBIBRQPVDV-UHFFFAOYSA-N 1 2 381.299 2.327 20 0 GEADLO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000332020797 532847759 /nfs/dbraw/zinc/84/77/59/532847759.db2.gz FWQAFYGELNQNCU-RYUDHWBXSA-N 1 2 398.305 2.072 20 0 GEADLO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000332020788 532848003 /nfs/dbraw/zinc/84/80/03/532848003.db2.gz FWQAFYGELNQNCU-NEPJUHHUSA-N 1 2 398.305 2.072 20 0 GEADLO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000332083477 532848356 /nfs/dbraw/zinc/84/83/56/532848356.db2.gz BZKUFMUHLKSNAC-FVQBIDKESA-N 1 2 386.539 2.098 20 0 GEADLO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000332177689 532849470 /nfs/dbraw/zinc/84/94/70/532849470.db2.gz MMPCOLLEPOEKIG-XHDPSFHLSA-N 1 2 391.320 2.465 20 0 GEADLO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000332177689 532849473 /nfs/dbraw/zinc/84/94/73/532849473.db2.gz MMPCOLLEPOEKIG-XHDPSFHLSA-N 1 2 391.320 2.465 20 0 GEADLO NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2cc(Br)ccn2)CC1 ZINC000274701711 532854474 /nfs/dbraw/zinc/85/44/74/532854474.db2.gz UUPOILVELKLIOP-MRXNPFEDSA-N 1 2 375.270 2.193 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cnc(Br)s2)CC1 ZINC000289502429 532856960 /nfs/dbraw/zinc/85/69/60/532856960.db2.gz DNYCUFGQLLORSZ-LBPRGKRZSA-N 1 2 387.347 2.034 20 0 GEADLO Cc1cc(I)ccc1NC(=O)CN1CCn2cc[nH+]c2C1 ZINC000332601412 532858109 /nfs/dbraw/zinc/85/81/09/532858109.db2.gz OYPJUWXUTAAHIQ-UHFFFAOYSA-N 1 2 396.232 2.250 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)Nc1ccc(F)cc1Cl ZINC000275128276 532865279 /nfs/dbraw/zinc/86/52/79/532865279.db2.gz ROCDUJDZSNLXGC-VIFPVBQESA-N 1 2 381.757 2.418 20 0 GEADLO O=C(C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)Nc1ccc(F)cc1Cl ZINC000275128276 532865282 /nfs/dbraw/zinc/86/52/82/532865282.db2.gz ROCDUJDZSNLXGC-VIFPVBQESA-N 1 2 381.757 2.418 20 0 GEADLO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(F)cc(Br)c1O ZINC000416148884 532865381 /nfs/dbraw/zinc/86/53/81/532865381.db2.gz FOTGVAGYHUZFMP-GFCCVEGCSA-N 1 2 389.265 2.477 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)c1ccsc1 ZINC000333302125 532866497 /nfs/dbraw/zinc/86/64/97/532866497.db2.gz MNGNWJYEOLBKLS-ARFHVFGLSA-N 1 2 385.555 2.102 20 0 GEADLO CCOC(=O)C1(O)CC[NH+](Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000275167554 532867510 /nfs/dbraw/zinc/86/75/10/532867510.db2.gz UVOCSRHEKDFOBK-UHFFFAOYSA-N 1 2 396.285 2.226 20 0 GEADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(F)cc(Br)c1O ZINC000416213520 532867694 /nfs/dbraw/zinc/86/76/94/532867694.db2.gz HMBVZFLHWVVESO-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(F)cc(Br)c1O ZINC000416213520 532867696 /nfs/dbraw/zinc/86/76/96/532867696.db2.gz HMBVZFLHWVVESO-SNVBAGLBSA-N 1 2 389.265 2.211 20 0 GEADLO O=C(c1cc(F)cc(Br)c1O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000416222178 532867590 /nfs/dbraw/zinc/86/75/90/532867590.db2.gz DEYYJTDKOJCILS-CQSZACIVSA-N 1 2 380.217 2.476 20 0 GEADLO CC[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H](C)S1(=O)=O ZINC000289940791 532868119 /nfs/dbraw/zinc/86/81/19/532868119.db2.gz XDMSXIVVQYFBJR-BXUZGUMPSA-N 1 2 386.315 2.494 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+](CCO)C[C@H](C)O)nc1-c1ccc(Cl)cc1 ZINC000290007076 532869984 /nfs/dbraw/zinc/86/99/84/532869984.db2.gz ZKZHZINGFBPUQN-NSHDSACASA-N 1 2 383.901 2.386 20 0 GEADLO Cc1sc(NC(=O)C[N@H+](CCO)C[C@H](C)O)nc1-c1ccc(Cl)cc1 ZINC000290007076 532869990 /nfs/dbraw/zinc/86/99/90/532869990.db2.gz ZKZHZINGFBPUQN-NSHDSACASA-N 1 2 383.901 2.386 20 0 GEADLO CN(C)c1ncc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)s1 ZINC000275268410 532870290 /nfs/dbraw/zinc/87/02/90/532870290.db2.gz KXLXHARWCXPIQE-UHFFFAOYSA-N 1 2 378.449 2.402 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3noc4ccc(Br)cc43)C[C@@H]21 ZINC000333571657 532870923 /nfs/dbraw/zinc/87/09/23/532870923.db2.gz MNJUYLTZORPDTJ-GOEBONIOSA-N 1 2 394.269 2.064 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3noc4ccc(Br)cc43)C[C@@H]21 ZINC000333571657 532870925 /nfs/dbraw/zinc/87/09/25/532870925.db2.gz MNJUYLTZORPDTJ-GOEBONIOSA-N 1 2 394.269 2.064 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Br)c(C4CC4)n3)C[C@H]21 ZINC000333734563 532872783 /nfs/dbraw/zinc/87/27/83/532872783.db2.gz XDCJWHSQPXOSLT-OLZOCXBDSA-N 1 2 381.274 2.268 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Br)c(C4CC4)n3)C[C@H]21 ZINC000333734563 532872785 /nfs/dbraw/zinc/87/27/85/532872785.db2.gz XDCJWHSQPXOSLT-OLZOCXBDSA-N 1 2 381.274 2.268 20 0 GEADLO C[C@H]1COCC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333746258 532872880 /nfs/dbraw/zinc/87/28/80/532872880.db2.gz YVQXXXYGPOJGMI-WCQYABFASA-N 1 2 399.289 2.227 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333751988 532873180 /nfs/dbraw/zinc/87/31/80/532873180.db2.gz NIILHWOOYRJOPD-TUAOUCFPSA-N 1 2 394.269 2.234 20 0 GEADLO CNC(=O)c1ccn([C@H]2CCC[N@H+](Cc3cncc(Br)c3)C2)n1 ZINC000275402491 532875278 /nfs/dbraw/zinc/87/52/78/532875278.db2.gz CMBCHCPWJMNLQL-AWEZNQCLSA-N 1 2 378.274 2.237 20 0 GEADLO CNC(=O)c1ccn([C@H]2CCC[N@@H+](Cc3cncc(Br)c3)C2)n1 ZINC000275402491 532875281 /nfs/dbraw/zinc/87/52/81/532875281.db2.gz CMBCHCPWJMNLQL-AWEZNQCLSA-N 1 2 378.274 2.237 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)C(=O)NOCc1ccc(F)cc1Br ZINC000275453587 532876871 /nfs/dbraw/zinc/87/68/71/532876871.db2.gz CVUVYUPRNJVLEM-LLVKDONJSA-N 1 2 375.238 2.104 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)C[C@H]1C ZINC000416458742 532878129 /nfs/dbraw/zinc/87/81/29/532878129.db2.gz ZTJLGVDIMFMEKG-NEPJUHHUSA-N 1 2 387.933 2.111 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)C[C@H]1C ZINC000416458742 532878130 /nfs/dbraw/zinc/87/81/30/532878130.db2.gz ZTJLGVDIMFMEKG-NEPJUHHUSA-N 1 2 387.933 2.111 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)c(F)cc1Br ZINC000290336725 532878329 /nfs/dbraw/zinc/87/83/29/532878329.db2.gz MOGIIAQDYBZPMH-UHFFFAOYSA-N 1 2 381.205 2.074 20 0 GEADLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2ccncc2Br)C1 ZINC000275548121 532878537 /nfs/dbraw/zinc/87/85/37/532878537.db2.gz DFJBRDIJZVJMLR-CYBMUJFWSA-N 1 2 383.290 2.419 20 0 GEADLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2ccncc2Br)C1 ZINC000275548121 532878540 /nfs/dbraw/zinc/87/85/40/532878540.db2.gz DFJBRDIJZVJMLR-CYBMUJFWSA-N 1 2 383.290 2.419 20 0 GEADLO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000348986389 532879999 /nfs/dbraw/zinc/87/99/99/532879999.db2.gz NYCHBUYEMCARHM-BXUZGUMPSA-N 1 2 375.226 2.323 20 0 GEADLO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000348986389 532880000 /nfs/dbraw/zinc/88/00/00/532880000.db2.gz NYCHBUYEMCARHM-BXUZGUMPSA-N 1 2 375.226 2.323 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000348444691 532879410 /nfs/dbraw/zinc/87/94/10/532879410.db2.gz OOEPAHMDXZQODI-HZSPNIEDSA-N 1 2 375.226 2.191 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000348444691 532879412 /nfs/dbraw/zinc/87/94/12/532879412.db2.gz OOEPAHMDXZQODI-HZSPNIEDSA-N 1 2 375.226 2.191 20 0 GEADLO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)C1 ZINC000275653332 532880425 /nfs/dbraw/zinc/88/04/25/532880425.db2.gz LVMXUZHBSNGFEZ-LBPRGKRZSA-N 1 2 387.552 2.179 20 0 GEADLO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)C1 ZINC000275653332 532880428 /nfs/dbraw/zinc/88/04/28/532880428.db2.gz LVMXUZHBSNGFEZ-LBPRGKRZSA-N 1 2 387.552 2.179 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000275655607 532880678 /nfs/dbraw/zinc/88/06/78/532880678.db2.gz OJYJNDZFZKULJI-NWDGAFQWSA-N 1 2 380.290 2.275 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420928111 532887409 /nfs/dbraw/zinc/88/74/09/532887409.db2.gz CANGIDOXUDLNGW-XJKSGUPXSA-N 1 2 399.329 2.268 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420928111 532887411 /nfs/dbraw/zinc/88/74/11/532887411.db2.gz CANGIDOXUDLNGW-XJKSGUPXSA-N 1 2 399.329 2.268 20 0 GEADLO CNS(=O)(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000360096915 532889856 /nfs/dbraw/zinc/88/98/56/532889856.db2.gz VEZRNHREDZENIN-ZDUSSCGKSA-N 1 2 387.933 2.297 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000290811439 532889861 /nfs/dbraw/zinc/88/98/61/532889861.db2.gz FGYZIFBIGQMWDN-IUODEOHRSA-N 1 2 398.301 2.096 20 0 GEADLO CC[C@H](C[NH2+]Cc1nccn1S(=O)(=O)N(C)C)Oc1ccccc1Cl ZINC000290785392 532889217 /nfs/dbraw/zinc/88/92/17/532889217.db2.gz CQHCTHGQJZSJQS-CYBMUJFWSA-N 1 2 386.905 2.138 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N1CC[C@@]12CCOC2 ZINC000421166004 532889376 /nfs/dbraw/zinc/88/93/76/532889376.db2.gz YSBANSVHEJFZSG-INIZCTEOSA-N 1 2 397.273 2.077 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000360989733 532891850 /nfs/dbraw/zinc/89/18/50/532891850.db2.gz MOQDQMUECUUDRV-CQSZACIVSA-N 1 2 382.873 2.422 20 0 GEADLO C[C@](NC(=O)C[N@@H+]1CCc2sccc2C1)(C(N)=O)c1cccc(Cl)c1 ZINC000361026729 532891932 /nfs/dbraw/zinc/89/19/32/532891932.db2.gz BUTVXNGIDNXSLC-GOSISDBHSA-N 1 2 377.897 2.277 20 0 GEADLO C[C@](NC(=O)C[N@H+]1CCc2sccc2C1)(C(N)=O)c1cccc(Cl)c1 ZINC000361026729 532891935 /nfs/dbraw/zinc/89/19/35/532891935.db2.gz BUTVXNGIDNXSLC-GOSISDBHSA-N 1 2 377.897 2.277 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cnc(Cl)c(Cl)c1 ZINC000360955123 532892083 /nfs/dbraw/zinc/89/20/83/532892083.db2.gz AAODRPHPSRNBPU-FZMZJTMJSA-N 1 2 394.324 2.168 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000290828561 532890572 /nfs/dbraw/zinc/89/05/72/532890572.db2.gz GKBUVAVJTHSXRY-CZUORRHYSA-N 1 2 394.313 2.197 20 0 GEADLO COCCOCCOCC[N@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000276314508 532893312 /nfs/dbraw/zinc/89/33/12/532893312.db2.gz XRKQVGSKZOXUTG-UHFFFAOYSA-N 1 2 390.274 2.289 20 0 GEADLO COCCOCCOCC[N@@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000276314508 532893314 /nfs/dbraw/zinc/89/33/14/532893314.db2.gz XRKQVGSKZOXUTG-UHFFFAOYSA-N 1 2 390.274 2.289 20 0 GEADLO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000276401416 532895543 /nfs/dbraw/zinc/89/55/43/532895543.db2.gz DGWRLJAAEWPWNF-SNVBAGLBSA-N 1 2 383.221 2.237 20 0 GEADLO O=C1[C@H]([N@@H+]2CCc3n[nH]c(=O)cc3C2)CCN1c1ccc(Cl)cc1Cl ZINC000276446915 532895813 /nfs/dbraw/zinc/89/58/13/532895813.db2.gz SPQSHWGQWRTWBU-OAHLLOKOSA-N 1 2 379.247 2.240 20 0 GEADLO O=C1[C@H]([N@H+]2CCc3n[nH]c(=O)cc3C2)CCN1c1ccc(Cl)cc1Cl ZINC000276446915 532895815 /nfs/dbraw/zinc/89/58/15/532895815.db2.gz SPQSHWGQWRTWBU-OAHLLOKOSA-N 1 2 379.247 2.240 20 0 GEADLO CN(CCn1cc(Br)cn1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000291175791 532897653 /nfs/dbraw/zinc/89/76/53/532897653.db2.gz ZOKVXPKSRRULQS-UHFFFAOYSA-N 1 2 377.246 2.135 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2ccc(Br)cc2)C1 ZINC000276550953 532897771 /nfs/dbraw/zinc/89/77/71/532897771.db2.gz RZYATIHIJTZSDI-AWEZNQCLSA-N 1 2 390.285 2.168 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2ccc(Br)cc2)C1 ZINC000276550953 532897775 /nfs/dbraw/zinc/89/77/75/532897775.db2.gz RZYATIHIJTZSDI-AWEZNQCLSA-N 1 2 390.285 2.168 20 0 GEADLO CSCCCCCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000363678499 532900286 /nfs/dbraw/zinc/90/02/86/532900286.db2.gz QXTQSOQMVVZYJG-QGZVFWFLSA-N 1 2 375.604 2.417 20 0 GEADLO COc1ccc(Br)c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1 ZINC000291217819 532898581 /nfs/dbraw/zinc/89/85/81/532898581.db2.gz GHWZLOGFMSJDFS-MLGOLLRUSA-N 1 2 383.286 2.393 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364247496 532905296 /nfs/dbraw/zinc/90/52/96/532905296.db2.gz YYDDTCGVFSHYIA-OAHLLOKOSA-N 1 2 383.286 2.247 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364247496 532905297 /nfs/dbraw/zinc/90/52/97/532905297.db2.gz YYDDTCGVFSHYIA-OAHLLOKOSA-N 1 2 383.286 2.247 20 0 GEADLO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000364105849 532903468 /nfs/dbraw/zinc/90/34/68/532903468.db2.gz NAKFIJODWFPNBQ-AWEZNQCLSA-N 1 2 384.299 2.250 20 0 GEADLO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000364105849 532903471 /nfs/dbraw/zinc/90/34/71/532903471.db2.gz NAKFIJODWFPNBQ-AWEZNQCLSA-N 1 2 384.299 2.250 20 0 GEADLO O=S(=O)(c1cnc2ccsc2c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000364128781 532904001 /nfs/dbraw/zinc/90/40/01/532904001.db2.gz VEVCSJZHMGUWHS-AWEZNQCLSA-N 1 2 381.523 2.172 20 0 GEADLO O=C(NC[C@@H]1CCC[N@@H+](Cc2cnc(C3OCCO3)s2)C1)C(F)(F)F ZINC000291577021 532904363 /nfs/dbraw/zinc/90/43/63/532904363.db2.gz OLHCYLYHKDQRMB-JTQLQIEISA-N 1 2 379.404 2.079 20 0 GEADLO O=C(c1cc(Br)c(F)cc1F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000365367439 532910202 /nfs/dbraw/zinc/91/02/02/532910202.db2.gz UWHKBJRNNWGDCU-JTQLQIEISA-N 1 2 375.213 2.274 20 0 GEADLO COc1cccc(-c2nc(C[N@H+](C)[C@H]3CCN(S(C)(=O)=O)C3)cs2)c1 ZINC000292086307 532912766 /nfs/dbraw/zinc/91/27/66/532912766.db2.gz DZQHZPJFNKDFOQ-HNNXBMFYSA-N 1 2 381.523 2.284 20 0 GEADLO COc1cccc(-c2nc(C[N@@H+](C)[C@H]3CCN(S(C)(=O)=O)C3)cs2)c1 ZINC000292086307 532912767 /nfs/dbraw/zinc/91/27/67/532912767.db2.gz DZQHZPJFNKDFOQ-HNNXBMFYSA-N 1 2 381.523 2.284 20 0 GEADLO Cc1cnc(Br)c(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000292010927 532911648 /nfs/dbraw/zinc/91/16/48/532911648.db2.gz IPYDJULOLBAJOB-CYBMUJFWSA-N 1 2 383.290 2.481 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O)c1cccs1 ZINC000366182286 532915230 /nfs/dbraw/zinc/91/52/30/532915230.db2.gz XGRXYXHMICWDGQ-HUUCEWRRSA-N 1 2 387.571 2.350 20 0 GEADLO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1nc(C(F)(F)F)cs1 ZINC000366269715 532915607 /nfs/dbraw/zinc/91/56/07/532915607.db2.gz DGTNYUZXCDGEFB-GXSJLCMTSA-N 1 2 378.420 2.385 20 0 GEADLO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1nc(C(F)(F)F)cs1 ZINC000366269715 532915608 /nfs/dbraw/zinc/91/56/08/532915608.db2.gz DGTNYUZXCDGEFB-GXSJLCMTSA-N 1 2 378.420 2.385 20 0 GEADLO CC1(C)C[N@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@H](C(F)(F)F)O1 ZINC000292119624 532913572 /nfs/dbraw/zinc/91/35/72/532913572.db2.gz GMDNLJASFCZPRI-SNVBAGLBSA-N 1 2 379.404 2.217 20 0 GEADLO CC1(C)C[N@@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@H](C(F)(F)F)O1 ZINC000292119624 532913573 /nfs/dbraw/zinc/91/35/73/532913573.db2.gz GMDNLJASFCZPRI-SNVBAGLBSA-N 1 2 379.404 2.217 20 0 GEADLO COc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1Br ZINC000366096990 532914377 /nfs/dbraw/zinc/91/43/77/532914377.db2.gz ZNRVEOHGQOMKDH-CQSZACIVSA-N 1 2 398.301 2.120 20 0 GEADLO COc1ccc(CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1Br ZINC000366096990 532914379 /nfs/dbraw/zinc/91/43/79/532914379.db2.gz ZNRVEOHGQOMKDH-CQSZACIVSA-N 1 2 398.301 2.120 20 0 GEADLO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000366082461 532914430 /nfs/dbraw/zinc/91/44/30/532914430.db2.gz BITTVNNMNXTDKC-LLVKDONJSA-N 1 2 396.456 2.239 20 0 GEADLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1cc(Br)c(=O)n(C)c1)CCC2 ZINC000366591819 532919060 /nfs/dbraw/zinc/91/90/60/532919060.db2.gz AQXLTHVAEBMGBX-LLVKDONJSA-N 1 2 394.273 2.352 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000366428542 532917152 /nfs/dbraw/zinc/91/71/52/532917152.db2.gz IDRZDIIPCIGYKL-SFYZADRCSA-N 1 2 390.654 2.180 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000366428542 532917153 /nfs/dbraw/zinc/91/71/53/532917153.db2.gz IDRZDIIPCIGYKL-SFYZADRCSA-N 1 2 390.654 2.180 20 0 GEADLO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366554877 532918767 /nfs/dbraw/zinc/91/87/67/532918767.db2.gz ONWIUSIYXBSKGG-GFCCVEGCSA-N 1 2 378.270 2.477 20 0 GEADLO Cn1cc(Br)c(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)n1 ZINC000292894781 532919624 /nfs/dbraw/zinc/91/96/24/532919624.db2.gz JOKCQQMSAPZUQN-UHFFFAOYSA-N 1 2 379.306 2.490 20 0 GEADLO COC(=O)C1=NOC2(C1)CC[NH+]([C@H](C)c1ncc(Br)cn1)CC2 ZINC000367890682 532928431 /nfs/dbraw/zinc/92/84/31/532928431.db2.gz HQXXMQQUJFCROW-SNVBAGLBSA-N 1 2 383.246 2.084 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CC[NH+](C4CCOCC4)CC3)cc2s1 ZINC000368194999 532930693 /nfs/dbraw/zinc/93/06/93/532930693.db2.gz UJDRGRJLEYBILD-UHFFFAOYSA-N 1 2 381.523 2.090 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368207780 532930768 /nfs/dbraw/zinc/93/07/68/532930768.db2.gz GGTYAKZYLRFTIQ-GFCCVEGCSA-N 1 2 381.278 2.006 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368207780 532930769 /nfs/dbraw/zinc/93/07/69/532930769.db2.gz GGTYAKZYLRFTIQ-GFCCVEGCSA-N 1 2 381.278 2.006 20 0 GEADLO O=C(NCc1cc(F)ccc1Br)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368304311 532931315 /nfs/dbraw/zinc/93/13/15/532931315.db2.gz LSWGWYHMGMRSON-CQSZACIVSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(NCc1cc(F)ccc1Br)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368304311 532931316 /nfs/dbraw/zinc/93/13/16/532931316.db2.gz LSWGWYHMGMRSON-CQSZACIVSA-N 1 2 386.265 2.251 20 0 GEADLO C[C@](O)(C[N@@H+]1CC[C@H](S(C)(=O)=O)C1)c1ccc(Br)cc1Cl ZINC000294014989 532934834 /nfs/dbraw/zinc/93/48/34/532934834.db2.gz GZMBBRWQXJQANE-FZMZJTMJSA-N 1 2 396.734 2.429 20 0 GEADLO C[C@](O)(C[N@H+]1CC[C@H](S(C)(=O)=O)C1)c1ccc(Br)cc1Cl ZINC000294014989 532934835 /nfs/dbraw/zinc/93/48/35/532934835.db2.gz GZMBBRWQXJQANE-FZMZJTMJSA-N 1 2 396.734 2.429 20 0 GEADLO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3ccc(Cl)nc3Cl)CC2)CCO1 ZINC000368859906 532934913 /nfs/dbraw/zinc/93/49/13/532934913.db2.gz RNUSXWXYXVBBFA-LLVKDONJSA-N 1 2 394.324 2.262 20 0 GEADLO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3ccc(Cl)nc3Cl)CC2)CCO1 ZINC000368859906 532934914 /nfs/dbraw/zinc/93/49/14/532934914.db2.gz RNUSXWXYXVBBFA-LLVKDONJSA-N 1 2 394.324 2.262 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000369283780 532937801 /nfs/dbraw/zinc/93/78/01/532937801.db2.gz DXJCAJIKMPNKAW-CQSZACIVSA-N 1 2 387.571 2.177 20 0 GEADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccccc2Br)CC1 ZINC000369014831 532936207 /nfs/dbraw/zinc/93/62/07/532936207.db2.gz FPPPNLVXYPPTQP-UHFFFAOYSA-N 1 2 396.329 2.051 20 0 GEADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)Cc2ccccc2Br)CC1 ZINC000369014831 532936208 /nfs/dbraw/zinc/93/62/08/532936208.db2.gz FPPPNLVXYPPTQP-UHFFFAOYSA-N 1 2 396.329 2.051 20 0 GEADLO O=S(=O)(NCc1ccnc(-n2cc[nH+]c2)c1)c1cnc(Cl)c(Cl)c1 ZINC000369540553 532940024 /nfs/dbraw/zinc/94/00/24/532940024.db2.gz OOXMKTAFWXULMS-UHFFFAOYSA-N 1 2 384.248 2.448 20 0 GEADLO Cn1c(Cl)c(Cl)cc1C(=O)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000369322197 532938440 /nfs/dbraw/zinc/93/84/40/532938440.db2.gz AUDLJBUBMKYYIW-UHFFFAOYSA-N 1 2 387.311 2.278 20 0 GEADLO CSc1ccc([C@H](CNC(=O)CC2(CS(C)(=O)=O)CC2)[NH+](C)C)cc1 ZINC000294398381 532938644 /nfs/dbraw/zinc/93/86/44/532938644.db2.gz MEVHYEXBMGXDPV-INIZCTEOSA-N 1 2 384.567 2.342 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370425097 532943406 /nfs/dbraw/zinc/94/34/06/532943406.db2.gz QXPHRVLWOBFSRZ-UONOGXRCSA-N 1 2 383.286 2.150 20 0 GEADLO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000370864710 532945929 /nfs/dbraw/zinc/94/59/29/532945929.db2.gz GFPHZGDNHMCGFX-XJKSGUPXSA-N 1 2 385.555 2.138 20 0 GEADLO CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000370864710 532945930 /nfs/dbraw/zinc/94/59/30/532945930.db2.gz GFPHZGDNHMCGFX-XJKSGUPXSA-N 1 2 385.555 2.138 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370953655 532946257 /nfs/dbraw/zinc/94/62/57/532946257.db2.gz OASTYAQWOGDGIG-IUODEOHRSA-N 1 2 385.917 2.132 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370953655 532946258 /nfs/dbraw/zinc/94/62/58/532946258.db2.gz OASTYAQWOGDGIG-IUODEOHRSA-N 1 2 385.917 2.132 20 0 GEADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1-n1cncn1 ZINC000371356486 532947698 /nfs/dbraw/zinc/94/76/98/532947698.db2.gz XVWLAGMDHYOHFH-LLVKDONJSA-N 1 2 387.241 2.040 20 0 GEADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)cc1-n1cncn1 ZINC000371356486 532947699 /nfs/dbraw/zinc/94/76/99/532947699.db2.gz XVWLAGMDHYOHFH-LLVKDONJSA-N 1 2 387.241 2.040 20 0 GEADLO Cn1cc(Cl)cc1C(=O)N1CCC[N@H+](Cc2cc(C(N)=O)cs2)CC1 ZINC000371416669 532948092 /nfs/dbraw/zinc/94/80/92/532948092.db2.gz NVEIOFAQHABZCB-UHFFFAOYSA-N 1 2 380.901 2.187 20 0 GEADLO Cn1cc(Cl)cc1C(=O)N1CCC[N@@H+](Cc2cc(C(N)=O)cs2)CC1 ZINC000371416669 532948093 /nfs/dbraw/zinc/94/80/93/532948093.db2.gz NVEIOFAQHABZCB-UHFFFAOYSA-N 1 2 380.901 2.187 20 0 GEADLO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)cc1OC ZINC000371459066 532948137 /nfs/dbraw/zinc/94/81/37/532948137.db2.gz NBAKFOSEPHFXQP-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)cc1OC ZINC000371459066 532948138 /nfs/dbraw/zinc/94/81/38/532948138.db2.gz NBAKFOSEPHFXQP-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)s1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371172890 532947146 /nfs/dbraw/zinc/94/71/46/532947146.db2.gz CTZRDVOMOUNSAO-UHFFFAOYSA-N 1 2 397.298 2.370 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)s1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371172890 532947147 /nfs/dbraw/zinc/94/71/47/532947147.db2.gz CTZRDVOMOUNSAO-UHFFFAOYSA-N 1 2 397.298 2.370 20 0 GEADLO Nc1c(Cl)cc(C(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)cc1Cl ZINC000371226096 532947308 /nfs/dbraw/zinc/94/73/08/532947308.db2.gz PNRGQOBDRLYTMB-CQSZACIVSA-N 1 2 385.295 2.002 20 0 GEADLO Nc1c(Cl)cc(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)cc1Cl ZINC000371226092 532947373 /nfs/dbraw/zinc/94/73/73/532947373.db2.gz PNRGQOBDRLYTMB-AWEZNQCLSA-N 1 2 385.295 2.002 20 0 GEADLO O=C(c1ccc2n[nH]nc2c1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275529475 570695356 /nfs/dbraw/zinc/69/53/56/570695356.db2.gz FQYCHJACWQVOOX-OAHLLOKOSA-N 1 2 378.436 2.247 20 0 GEADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCO[C@@H](Cn3cccn3)C2)nc[nH+]1 ZINC000275793732 570699933 /nfs/dbraw/zinc/69/99/33/570699933.db2.gz UIGKFKRORDJXHI-UWVAXJGDSA-N 1 2 386.500 2.194 20 0 GEADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCO[C@@H](Cn3cccn3)C2)[nH+]cn1 ZINC000275793732 570699937 /nfs/dbraw/zinc/69/99/37/570699937.db2.gz UIGKFKRORDJXHI-UWVAXJGDSA-N 1 2 386.500 2.194 20 0 GEADLO Cc1[nH+]ccn1-c1ccc(CNc2c3ccccc3nnc2-c2nn[nH]n2)cn1 ZINC000737502424 598962392 /nfs/dbraw/zinc/96/23/92/598962392.db2.gz NEDAWCXWPGDMBH-UHFFFAOYSA-N 1 2 384.407 2.311 20 0 GEADLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccnc1 ZINC000735978172 599019748 /nfs/dbraw/zinc/01/97/48/599019748.db2.gz ZSYWJVYSJARCMX-INIZCTEOSA-N 1 2 391.479 2.100 20 0 GEADLO CC(C)(C)C(=O)CC[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000735586504 599029974 /nfs/dbraw/zinc/02/99/74/599029974.db2.gz MZMLHKKXDSQHJO-UHFFFAOYSA-N 1 2 399.455 2.242 20 0 GEADLO COc1cc(F)ccc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000737054181 599081390 /nfs/dbraw/zinc/08/13/90/599081390.db2.gz MUKGOFQMOGEPJE-UHFFFAOYSA-N 1 2 386.406 2.476 20 0 GEADLO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000737039863 599091498 /nfs/dbraw/zinc/09/14/98/599091498.db2.gz LLCKWSZBXCNMBT-KZULUSFZSA-N 1 2 396.451 2.070 20 0 GEADLO CC(C)(C)Oc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735639863 599094855 /nfs/dbraw/zinc/09/48/55/599094855.db2.gz RAUYIVMXZHRLJE-KRWDZBQOSA-N 1 2 380.452 2.360 20 0 GEADLO Cc1cc(F)cc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822203448 599135530 /nfs/dbraw/zinc/13/55/30/599135530.db2.gz UKDWKJRYSBUADV-UHFFFAOYSA-N 1 2 380.427 2.272 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000735563883 599190777 /nfs/dbraw/zinc/19/07/77/599190777.db2.gz VDCOBFBAXDDLBC-AWEZNQCLSA-N 1 2 397.508 2.073 20 0 GEADLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccc(F)c1 ZINC000735526662 599237599 /nfs/dbraw/zinc/23/75/99/599237599.db2.gz YSQVVNNCXGXJJN-OAHLLOKOSA-N 1 2 394.454 2.454 20 0 GEADLO CC(C)(C)c1cc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)no1 ZINC000735644137 599237667 /nfs/dbraw/zinc/23/76/67/599237667.db2.gz WEETUSOIAPXJSI-UHFFFAOYSA-N 1 2 395.467 2.110 20 0 GEADLO Cc1c(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cccc1-c1nn[nH]n1 ZINC000822083597 607282223 /nfs/dbraw/zinc/28/22/23/607282223.db2.gz DHLMVHIGFMCWTA-HNNXBMFYSA-N 1 2 392.467 2.481 20 0 GEADLO Cc1c(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cccc1-c1nn[nH]n1 ZINC000822103352 607290958 /nfs/dbraw/zinc/29/09/58/607290958.db2.gz FRNYUIWIXUHFSH-UHFFFAOYSA-N 1 2 378.440 2.492 20 0 GEADLO Cc1cn2cc(NC(=O)NCCOc3ccc(-c4nn[nH]n4)cc3)ccc2[nH+]1 ZINC000822389052 599275596 /nfs/dbraw/zinc/27/55/96/599275596.db2.gz JTIMNEOCRUDMRY-UHFFFAOYSA-N 1 2 378.396 2.023 20 0 GEADLO CC1(C)CN=C(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)S1 ZINC000820607587 607328277 /nfs/dbraw/zinc/32/82/77/607328277.db2.gz WOXHMUUTKGDHME-UHFFFAOYSA-N 1 2 394.508 2.418 20 0 GEADLO CCc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000736692346 598254841 /nfs/dbraw/zinc/25/48/41/598254841.db2.gz SZYXTNONVQRITL-UHFFFAOYSA-N 1 2 391.479 2.190 20 0 GEADLO O[C@H](C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)c1cccc(F)c1 ZINC000738380468 598256923 /nfs/dbraw/zinc/25/69/23/598256923.db2.gz GNCDABLOLAQKRF-GOSISDBHSA-N 1 2 386.406 2.001 20 0 GEADLO C[N@@H+](CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C[C@H]1CCCO1 ZINC000736786679 598373616 /nfs/dbraw/zinc/37/36/16/598373616.db2.gz BRKKDLRQMFXANJ-GFCCVEGCSA-N 1 2 390.513 2.246 20 0 GEADLO C[N@H+](CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C[C@H]1CCCO1 ZINC000736786679 598373618 /nfs/dbraw/zinc/37/36/18/598373618.db2.gz BRKKDLRQMFXANJ-GFCCVEGCSA-N 1 2 390.513 2.246 20 0 GEADLO c1cc2c(nc[nH+]c2N2CCN(c3c(-c4nn[nH]n4)cnc4ccccc43)CC2)[nH]1 ZINC000738435829 598394137 /nfs/dbraw/zinc/39/41/37/598394137.db2.gz AQBRQXPUIYMJNZ-UHFFFAOYSA-N 1 2 398.434 2.013 20 0 GEADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)s1 ZINC000737472206 598407015 /nfs/dbraw/zinc/40/70/15/598407015.db2.gz WUZDYXYTOHSZOV-LBPRGKRZSA-N 1 2 385.497 2.249 20 0 GEADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)s1 ZINC000737472206 598407017 /nfs/dbraw/zinc/40/70/17/598407017.db2.gz WUZDYXYTOHSZOV-LBPRGKRZSA-N 1 2 385.497 2.249 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738074796 598478725 /nfs/dbraw/zinc/47/87/25/598478725.db2.gz GGNPNAKAADLABT-UHFFFAOYSA-N 1 2 392.467 2.438 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000735735736 598500947 /nfs/dbraw/zinc/50/09/47/598500947.db2.gz UTWFSADLSYIJKH-WMLDXEAASA-N 1 2 395.467 2.399 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000738078193 598561216 /nfs/dbraw/zinc/56/12/16/598561216.db2.gz OMYQABCJWWOJJP-UHFFFAOYSA-N 1 2 390.354 2.097 20 0 GEADLO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000738166468 598631711 /nfs/dbraw/zinc/63/17/11/598631711.db2.gz JRYBRBVRWHVWNQ-UHFFFAOYSA-N 1 2 382.403 2.191 20 0 GEADLO C[N@@H+]1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)[C@@H](c2ccccc2)C1 ZINC000736857904 598650063 /nfs/dbraw/zinc/65/00/63/598650063.db2.gz UWWWBHWPFKFPQK-GOSISDBHSA-N 1 2 394.504 2.474 20 0 GEADLO C[N@H+]1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)[C@@H](c2ccccc2)C1 ZINC000736857904 598650064 /nfs/dbraw/zinc/65/00/64/598650064.db2.gz UWWWBHWPFKFPQK-GOSISDBHSA-N 1 2 394.504 2.474 20 0 GEADLO Cn1cc([C@H]2CCC[N@@H+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)cn1 ZINC000737606922 598672153 /nfs/dbraw/zinc/67/21/53/598672153.db2.gz UDGQWUXSXPKGCU-GOSISDBHSA-N 1 2 375.440 2.258 20 0 GEADLO Cn1cc([C@H]2CCC[N@H+]2Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)cn1 ZINC000737606922 598672155 /nfs/dbraw/zinc/67/21/55/598672155.db2.gz UDGQWUXSXPKGCU-GOSISDBHSA-N 1 2 375.440 2.258 20 0 GEADLO C[N@@H+]1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)c2ccccc2C1 ZINC000736858357 598747051 /nfs/dbraw/zinc/74/70/51/598747051.db2.gz XQLDXBOYVWRSFD-UHFFFAOYSA-N 1 2 380.477 2.437 20 0 GEADLO C[N@H+]1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)c2ccccc2C1 ZINC000736858357 598747052 /nfs/dbraw/zinc/74/70/52/598747052.db2.gz XQLDXBOYVWRSFD-UHFFFAOYSA-N 1 2 380.477 2.437 20 0 GEADLO O=c1oc2ccccc2n1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738381899 598756705 /nfs/dbraw/zinc/75/67/05/598756705.db2.gz NRDGHVLQYIBZDK-UHFFFAOYSA-N 1 2 392.419 2.276 20 0 GEADLO Cc1nc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)no1 ZINC000737473594 598759571 /nfs/dbraw/zinc/75/95/71/598759571.db2.gz DQBAZTAHZSXFPZ-OAHLLOKOSA-N 1 2 382.428 2.114 20 0 GEADLO Cc1nc([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2-c2nn[nH]n2)no1 ZINC000737473594 598759572 /nfs/dbraw/zinc/75/95/72/598759572.db2.gz DQBAZTAHZSXFPZ-OAHLLOKOSA-N 1 2 382.428 2.114 20 0 GEADLO CCc1cc(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)ncn1 ZINC000736674726 598816268 /nfs/dbraw/zinc/81/62/68/598816268.db2.gz GVHFRCVWMPHFBH-UHFFFAOYSA-N 1 2 387.451 2.094 20 0 GEADLO C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000736196643 599316129 /nfs/dbraw/zinc/31/61/29/599316129.db2.gz LEALGAKSCLTCPG-UZLBHIALSA-N 1 2 378.480 2.279 20 0 GEADLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820373209 599406431 /nfs/dbraw/zinc/40/64/31/599406431.db2.gz GNMIVUWJPOMXPO-AWEZNQCLSA-N 1 2 392.467 2.422 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000821698598 599428099 /nfs/dbraw/zinc/42/80/99/599428099.db2.gz QOZRBWYIGXIWKD-ZDUSSCGKSA-N 1 2 381.440 2.448 20 0 GEADLO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000820431238 599437993 /nfs/dbraw/zinc/43/79/93/599437993.db2.gz CCPFRELDHTYTLS-GFCCVEGCSA-N 1 2 386.431 2.411 20 0 GEADLO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000820431240 599438129 /nfs/dbraw/zinc/43/81/29/599438129.db2.gz CCPFRELDHTYTLS-LBPRGKRZSA-N 1 2 386.431 2.411 20 0 GEADLO Cc1cccc2c(N[C@H]3CCN(Cc4ccccc4)C3=O)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822335380 599501946 /nfs/dbraw/zinc/50/19/46/599501946.db2.gz KLHXHIZQHFQGRQ-SFHVURJKSA-N 1 2 399.458 2.358 20 0 GEADLO Cc1cc(N2CCC[C@H](Nc3snc(Cl)c3-c3nn[nH]n3)C2)nc(C)[nH+]1 ZINC000822207265 599535003 /nfs/dbraw/zinc/53/50/03/599535003.db2.gz PXQSLCVFGCOGSQ-JTQLQIEISA-N 1 2 391.892 2.464 20 0 GEADLO CCO[C@@H]1C[C@@H](O)C12CCN(c1c(-c3nn[nH]n3)c[nH+]c3ccccc31)CC2 ZINC000821357845 599570897 /nfs/dbraw/zinc/57/08/97/599570897.db2.gz FZNKTBZELWDMTM-IAGOWNOFSA-N 1 2 380.452 2.171 20 0 GEADLO CC[C@@]1(C(C)C)NC(=O)N(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)C1=O ZINC000736398099 599578057 /nfs/dbraw/zinc/57/80/57/599578057.db2.gz XKFUMOPQPWYXCX-FQEVSTJZSA-N 1 2 399.499 2.391 20 0 GEADLO CC[C@@]1(C(C)C)NC(=O)N(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)C1=O ZINC000736398099 599578061 /nfs/dbraw/zinc/57/80/61/599578061.db2.gz XKFUMOPQPWYXCX-FQEVSTJZSA-N 1 2 399.499 2.391 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000821702368 599592773 /nfs/dbraw/zinc/59/27/73/599592773.db2.gz QZLQZXNUADSXKA-QGZVFWFLSA-N 1 2 381.436 2.328 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000821702368 599592775 /nfs/dbraw/zinc/59/27/75/599592775.db2.gz QZLQZXNUADSXKA-QGZVFWFLSA-N 1 2 381.436 2.328 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCS[C@@H](C(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822541232 599644947 /nfs/dbraw/zinc/64/49/47/599644947.db2.gz LLVGQHLSPICXBD-WCQYABFASA-N 1 2 378.502 2.477 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCS[C@@H](C(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822541232 599644948 /nfs/dbraw/zinc/64/49/48/599644948.db2.gz LLVGQHLSPICXBD-WCQYABFASA-N 1 2 378.502 2.477 20 0 GEADLO C[C@@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736663177 600522315 /nfs/dbraw/zinc/52/23/15/600522315.db2.gz VWCHYXPATAYSFR-PBHICJAKSA-N 1 2 398.507 2.488 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+](C)[C@H](CCO)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000822540669 607454912 /nfs/dbraw/zinc/45/49/12/607454912.db2.gz FASYVXNYUOXCSD-OAHLLOKOSA-N 1 2 384.440 2.071 20 0 GEADLO Cc1oc(NC(=O)C[N@H+](C)[C@H](CCO)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000822540669 607454914 /nfs/dbraw/zinc/45/49/14/607454914.db2.gz FASYVXNYUOXCSD-OAHLLOKOSA-N 1 2 384.440 2.071 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000825977701 601045195 /nfs/dbraw/zinc/04/51/95/601045195.db2.gz MREJLAXFMOZCEY-MJGOQNOKSA-N 1 2 387.524 2.152 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000825977701 601045198 /nfs/dbraw/zinc/04/51/98/601045198.db2.gz MREJLAXFMOZCEY-MJGOQNOKSA-N 1 2 387.524 2.152 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825977701 601045202 /nfs/dbraw/zinc/04/52/02/601045202.db2.gz MREJLAXFMOZCEY-MJGOQNOKSA-N 1 2 387.524 2.152 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000825977701 601045206 /nfs/dbraw/zinc/04/52/06/601045206.db2.gz MREJLAXFMOZCEY-MJGOQNOKSA-N 1 2 387.524 2.152 20 0 GEADLO COc1ccc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1-c1nn[nH]n1 ZINC000821821805 607492437 /nfs/dbraw/zinc/49/24/37/607492437.db2.gz XXWSFMFKKMQEFV-OKILXGFUSA-N 1 2 395.467 2.496 20 0 GEADLO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000825985865 607498763 /nfs/dbraw/zinc/49/87/63/607498763.db2.gz DEMFKEMYUBWVRG-INIZCTEOSA-N 1 2 383.843 2.152 20 0 GEADLO C[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000825985865 607498765 /nfs/dbraw/zinc/49/87/65/607498765.db2.gz DEMFKEMYUBWVRG-INIZCTEOSA-N 1 2 383.843 2.152 20 0 GEADLO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000830908458 601381347 /nfs/dbraw/zinc/38/13/47/601381347.db2.gz WGLXCYKLBZWBRS-CRAIPNDOSA-N 1 2 395.463 2.324 20 0 GEADLO CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000830908458 601381349 /nfs/dbraw/zinc/38/13/49/601381349.db2.gz WGLXCYKLBZWBRS-CRAIPNDOSA-N 1 2 395.463 2.324 20 0 GEADLO COc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1-c1nn[nH]n1 ZINC000826195462 607515691 /nfs/dbraw/zinc/51/56/91/607515691.db2.gz VLEAKZWUUQDXKN-UHFFFAOYSA-N 1 2 382.443 2.332 20 0 GEADLO COc1cccc([C@H]2C[N@H+](Cc3ccc(OC)c(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826215182 607515873 /nfs/dbraw/zinc/51/58/73/607515873.db2.gz IPAUOQGCMLCFNV-LJQANCHMSA-N 1 2 381.436 2.457 20 0 GEADLO COc1cccc([C@H]2C[N@@H+](Cc3ccc(OC)c(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826215182 607515875 /nfs/dbraw/zinc/51/58/75/607515875.db2.gz IPAUOQGCMLCFNV-LJQANCHMSA-N 1 2 381.436 2.457 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000826183709 607621744 /nfs/dbraw/zinc/62/17/44/607621744.db2.gz YEMHKSUPAJHCQG-UHFFFAOYSA-N 1 2 399.886 2.242 20 0 GEADLO CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000827643163 603404816 /nfs/dbraw/zinc/40/48/16/603404816.db2.gz OPACGNHUMYZIMI-QYZOEREBSA-N 1 2 386.496 2.322 20 0 GEADLO CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000827643163 603404819 /nfs/dbraw/zinc/40/48/19/603404819.db2.gz OPACGNHUMYZIMI-QYZOEREBSA-N 1 2 386.496 2.322 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CCC[NH+]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000738717552 603408941 /nfs/dbraw/zinc/40/89/41/603408941.db2.gz RJCJLYOVXYXHPH-JKSUJKDBSA-N 1 2 384.521 2.098 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CCC[NH+]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000738717552 603408943 /nfs/dbraw/zinc/40/89/43/603408943.db2.gz RJCJLYOVXYXHPH-JKSUJKDBSA-N 1 2 384.521 2.098 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000738717552 603408945 /nfs/dbraw/zinc/40/89/45/603408945.db2.gz RJCJLYOVXYXHPH-JKSUJKDBSA-N 1 2 384.521 2.098 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000738717552 603408946 /nfs/dbraw/zinc/40/89/46/603408946.db2.gz RJCJLYOVXYXHPH-JKSUJKDBSA-N 1 2 384.521 2.098 20 0 GEADLO Cc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)nc1 ZINC000826288157 607643517 /nfs/dbraw/zinc/64/35/17/607643517.db2.gz UBAGUXATSQAGSH-UHFFFAOYSA-N 1 2 392.423 2.140 20 0 GEADLO C[NH+]1CCC(CNC(=O)c2ccc(NC(=O)[O-])cc2O)([NH+]2CCCCC2)CC1 ZINC000828458558 603929287 /nfs/dbraw/zinc/92/92/87/603929287.db2.gz BUECLVCHRMORDU-UHFFFAOYSA-N 1 2 390.484 2.162 20 0 GEADLO C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000830781134 604379454 /nfs/dbraw/zinc/37/94/54/604379454.db2.gz KMMGJYCFORMORA-UHFFFAOYSA-N 1 2 376.482 2.482 20 0 GEADLO C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000830781134 604379458 /nfs/dbraw/zinc/37/94/58/604379458.db2.gz KMMGJYCFORMORA-UHFFFAOYSA-N 1 2 376.482 2.482 20 0 GEADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826388996 607753065 /nfs/dbraw/zinc/75/30/65/607753065.db2.gz NXXRRJDKUGWYAD-YOEHRIQHSA-N 1 2 398.854 2.200 20 0 GEADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000826388993 607753142 /nfs/dbraw/zinc/75/31/42/607753142.db2.gz NXXRRJDKUGWYAD-PBHICJAKSA-N 1 2 398.854 2.200 20 0 GEADLO C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C(=O)[O-])ccc3Cl)CC2)CC1 ZINC000833697336 605841826 /nfs/dbraw/zinc/84/18/26/605841826.db2.gz GGHJMARDGOSNLC-UHFFFAOYSA-N 1 2 393.915 2.414 20 0 GEADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[nH]n3)c(F)c2)C1 ZINC000821628119 606027037 /nfs/dbraw/zinc/02/70/37/606027037.db2.gz AGWJGDMWRWXHAE-QGZVFWFLSA-N 1 2 398.398 2.067 20 0 GEADLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3ccccc3-c3nn[nH]n3)c(F)c2)C1 ZINC000821628119 606027043 /nfs/dbraw/zinc/02/70/43/606027043.db2.gz AGWJGDMWRWXHAE-QGZVFWFLSA-N 1 2 398.398 2.067 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000821761643 606115521 /nfs/dbraw/zinc/11/55/21/606115521.db2.gz DLFLXVBVGZKBGK-UHFFFAOYSA-N 1 2 392.423 2.196 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561140 606187758 /nfs/dbraw/zinc/18/77/58/606187758.db2.gz AGPBUDYFBOFBSR-UHFFFAOYSA-N 1 2 383.477 2.089 20 0 GEADLO O=S(=O)(CC[N@H+]1CCCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561140 606187759 /nfs/dbraw/zinc/18/77/59/606187759.db2.gz AGPBUDYFBOFBSR-UHFFFAOYSA-N 1 2 383.477 2.089 20 0 GEADLO CC[C@](C)([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1nccs1 ZINC000820852571 606189338 /nfs/dbraw/zinc/18/93/38/606189338.db2.gz CQLCDNJDPGJXGG-INIZCTEOSA-N 1 2 392.510 2.012 20 0 GEADLO O=C(COc1ccccc1-c1nn[nH]n1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000823054915 606311516 /nfs/dbraw/zinc/31/15/16/606311516.db2.gz HGLMNIMQZFHGOW-UHFFFAOYSA-N 1 2 376.376 2.175 20 0 GEADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000821651848 606317896 /nfs/dbraw/zinc/31/78/96/606317896.db2.gz HJZUTTMETIBXIW-LJQANCHMSA-N 1 2 392.463 2.293 20 0 GEADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000821651848 606317898 /nfs/dbraw/zinc/31/78/98/606317898.db2.gz HJZUTTMETIBXIW-LJQANCHMSA-N 1 2 392.463 2.293 20 0 GEADLO CCC[N@H+](Cc1csc(CC(=O)NC)n1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821104394 606434177 /nfs/dbraw/zinc/43/41/77/606434177.db2.gz BKCBASNJBSQMRG-UHFFFAOYSA-N 1 2 385.497 2.024 20 0 GEADLO CCC[N@@H+](Cc1csc(CC(=O)NC)n1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821104394 606434179 /nfs/dbraw/zinc/43/41/79/606434179.db2.gz BKCBASNJBSQMRG-UHFFFAOYSA-N 1 2 385.497 2.024 20 0 GEADLO CCN1CC[NH+](Cc2ccccc2CNc2cccc(-c3nn[nH]n3)n2)CC1 ZINC000821277824 606453866 /nfs/dbraw/zinc/45/38/66/606453866.db2.gz ZWZZHOKHPKOAPM-UHFFFAOYSA-N 1 2 378.484 2.011 20 0 GEADLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821000917 606487053 /nfs/dbraw/zinc/48/70/53/606487053.db2.gz LXMNXNURYUYFBX-CQSZACIVSA-N 1 2 394.426 2.349 20 0 GEADLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821000917 606487054 /nfs/dbraw/zinc/48/70/54/606487054.db2.gz LXMNXNURYUYFBX-CQSZACIVSA-N 1 2 394.426 2.349 20 0 GEADLO O=C(c1ccc(-c2nn[nH]n2)s1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000823483908 606522093 /nfs/dbraw/zinc/52/20/93/606522093.db2.gz OPPSYSUJWRLXKQ-UHFFFAOYSA-N 1 2 386.456 2.415 20 0 GEADLO O=C(c1ccc(-c2nn[nH]n2)s1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000823483908 606522094 /nfs/dbraw/zinc/52/20/94/606522094.db2.gz OPPSYSUJWRLXKQ-UHFFFAOYSA-N 1 2 386.456 2.415 20 0 GEADLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)s2)cc1F ZINC000822479012 606535314 /nfs/dbraw/zinc/53/53/14/606535314.db2.gz XHNBHDBBUAXXMB-UHFFFAOYSA-N 1 2 383.412 2.491 20 0 GEADLO O=C1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CN1c1cccc(C(F)(F)F)c1 ZINC000823521603 606629373 /nfs/dbraw/zinc/62/93/73/606629373.db2.gz XQPZFTUTEQYZOY-NSHDSACASA-N 1 2 392.341 2.374 20 0 GEADLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)[nH]1 ZINC000822436731 606755156 /nfs/dbraw/zinc/75/51/56/606755156.db2.gz PXYZPDWWQIRYSK-CYBMUJFWSA-N 1 2 390.398 2.274 20 0 GEADLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)[nH]1 ZINC000822436731 606755157 /nfs/dbraw/zinc/75/51/57/606755157.db2.gz PXYZPDWWQIRYSK-CYBMUJFWSA-N 1 2 390.398 2.274 20 0 GEADLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)n1 ZINC000822436731 606755158 /nfs/dbraw/zinc/75/51/58/606755158.db2.gz PXYZPDWWQIRYSK-CYBMUJFWSA-N 1 2 390.398 2.274 20 0 GEADLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)n1 ZINC000822436731 606755159 /nfs/dbraw/zinc/75/51/59/606755159.db2.gz PXYZPDWWQIRYSK-CYBMUJFWSA-N 1 2 390.398 2.274 20 0 GEADLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)n[nH]1 ZINC000822436731 606755160 /nfs/dbraw/zinc/75/51/60/606755160.db2.gz PXYZPDWWQIRYSK-CYBMUJFWSA-N 1 2 390.398 2.274 20 0 GEADLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)n[nH]1 ZINC000822436731 606755161 /nfs/dbraw/zinc/75/51/61/606755161.db2.gz PXYZPDWWQIRYSK-CYBMUJFWSA-N 1 2 390.398 2.274 20 0 GEADLO Fc1ccc2oc(C[NH+]3CCN(c4ccccc4-c4nn[nH]n4)CC3)nc2c1 ZINC000822786017 606768463 /nfs/dbraw/zinc/76/84/63/606768463.db2.gz BBXZXWFPQXKOBL-UHFFFAOYSA-N 1 2 379.399 2.469 20 0 GEADLO CC(C)Oc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000820155476 606781763 /nfs/dbraw/zinc/78/17/63/606781763.db2.gz QMSZNARWBPIWJA-HNNXBMFYSA-N 1 2 394.483 2.155 20 0 GEADLO CC(C)Oc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000820155476 606781764 /nfs/dbraw/zinc/78/17/64/606781764.db2.gz QMSZNARWBPIWJA-HNNXBMFYSA-N 1 2 394.483 2.155 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000820803602 606782405 /nfs/dbraw/zinc/78/24/05/606782405.db2.gz DAQFGQUTDKJNAU-LLVKDONJSA-N 1 2 388.838 2.160 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(F)cc1Cl ZINC000820803602 606782407 /nfs/dbraw/zinc/78/24/07/606782407.db2.gz DAQFGQUTDKJNAU-LLVKDONJSA-N 1 2 388.838 2.160 20 0 GEADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821241335 606792993 /nfs/dbraw/zinc/79/29/93/606792993.db2.gz MPFCCNINPMAYPE-UHFFFAOYSA-N 1 2 398.370 2.496 20 0 GEADLO O=C(CSCc1ccc(-c2nn[nH]n2)cc1)NCc1ccn2cc[nH+]c2c1 ZINC000823060481 606810374 /nfs/dbraw/zinc/81/03/74/606810374.db2.gz DCYGCZGCJGSFCY-UHFFFAOYSA-N 1 2 379.449 2.064 20 0 GEADLO Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000822324225 606885484 /nfs/dbraw/zinc/88/54/84/606885484.db2.gz XSHYBHRPHTZWFB-GOSISDBHSA-N 1 2 380.452 2.087 20 0 GEADLO Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000822324225 606885486 /nfs/dbraw/zinc/88/54/86/606885486.db2.gz XSHYBHRPHTZWFB-GOSISDBHSA-N 1 2 380.452 2.087 20 0 GEADLO O[C@H](C[C@H]1COCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823672376 606915588 /nfs/dbraw/zinc/91/55/88/606915588.db2.gz DHWDBWREYRYYOW-FUHWJXTLSA-N 1 2 399.451 2.053 20 0 GEADLO O[C@H](C[C@H]1COCC[N@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823672376 606915589 /nfs/dbraw/zinc/91/55/89/606915589.db2.gz DHWDBWREYRYYOW-FUHWJXTLSA-N 1 2 399.451 2.053 20 0 GEADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823673991 606915823 /nfs/dbraw/zinc/91/58/23/606915823.db2.gz OJNTVFQZFHIFQL-LPHOPBHVSA-N 1 2 383.427 2.330 20 0 GEADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823673991 606915825 /nfs/dbraw/zinc/91/58/25/606915825.db2.gz OJNTVFQZFHIFQL-LPHOPBHVSA-N 1 2 383.427 2.330 20 0 GEADLO CCc1nnc(NCc2cc[nH+]c(N3CCCC3)c2)c(-c2nn[nH]n2)c1CC ZINC000821542823 606919432 /nfs/dbraw/zinc/91/94/32/606919432.db2.gz ZLBBWRTXBPGGHK-UHFFFAOYSA-N 1 2 379.472 2.389 20 0 GEADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821652088 606926952 /nfs/dbraw/zinc/92/69/52/606926952.db2.gz MCOZGAVQQBXKHC-SFHVURJKSA-N 1 2 381.436 2.482 20 0 GEADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821652088 606926954 /nfs/dbraw/zinc/92/69/54/606926954.db2.gz MCOZGAVQQBXKHC-SFHVURJKSA-N 1 2 381.436 2.482 20 0 GEADLO CCc1nnc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c(-c2nn[nH]n2)c1CC ZINC000821523417 606927732 /nfs/dbraw/zinc/92/77/32/606927732.db2.gz VMFNFTWOPHREAG-ZDUSSCGKSA-N 1 2 379.472 2.115 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@@H](c2ccsc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822969712 606982543 /nfs/dbraw/zinc/98/25/43/606982543.db2.gz YFSYKWVSWUMHBM-MRXNPFEDSA-N 1 2 384.465 2.330 20 0 GEADLO O=C(CC[N@H+]1CCO[C@@H](c2ccsc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822969712 606982544 /nfs/dbraw/zinc/98/25/44/606982544.db2.gz YFSYKWVSWUMHBM-MRXNPFEDSA-N 1 2 384.465 2.330 20 0 GEADLO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000819997135 607001072 /nfs/dbraw/zinc/00/10/72/607001072.db2.gz RKZCHZARNRDWQN-UHFFFAOYSA-N 1 2 392.463 2.156 20 0 GEADLO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000819992026 607021000 /nfs/dbraw/zinc/02/10/00/607021000.db2.gz OUZHXPNIBJDHIL-AWEZNQCLSA-N 1 2 381.440 2.153 20 0 GEADLO COc1ccc(OC)c2c1C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@@H]2O ZINC000821841153 607058764 /nfs/dbraw/zinc/05/87/64/607058764.db2.gz DMYLFPBPUCGFQM-HNNXBMFYSA-N 1 2 385.399 2.072 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c(-c2nn[nH]n2)c1C ZINC000822557514 607177537 /nfs/dbraw/zinc/17/75/37/607177537.db2.gz ITHOJLLPAKOTLY-AWEZNQCLSA-N 1 2 399.480 2.032 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](Oc3cccnc3)C2)c(-c2nn[nH]n2)c1C ZINC000822557514 607177538 /nfs/dbraw/zinc/17/75/38/607177538.db2.gz ITHOJLLPAKOTLY-AWEZNQCLSA-N 1 2 399.480 2.032 20 0 GEADLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000825663224 607991964 /nfs/dbraw/zinc/99/19/64/607991964.db2.gz JOEYVLTYWIBHHR-UHFFFAOYSA-N 1 2 385.493 2.400 20 0 GEADLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000825663224 607991965 /nfs/dbraw/zinc/99/19/65/607991965.db2.gz JOEYVLTYWIBHHR-UHFFFAOYSA-N 1 2 385.493 2.400 20 0 GEADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736290780 608064310 /nfs/dbraw/zinc/06/43/10/608064310.db2.gz JONCHCPXSJJHQG-AWEZNQCLSA-N 1 2 388.472 2.187 20 0 GEADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736290780 608064311 /nfs/dbraw/zinc/06/43/11/608064311.db2.gz JONCHCPXSJJHQG-AWEZNQCLSA-N 1 2 388.472 2.187 20 0 GEADLO c1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000826514391 608258189 /nfs/dbraw/zinc/25/81/89/608258189.db2.gz QCYKNBMYJYMJNM-OAHLLOKOSA-N 1 2 380.456 2.121 20 0 GEADLO c1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000826514391 608258191 /nfs/dbraw/zinc/25/81/91/608258191.db2.gz QCYKNBMYJYMJNM-OAHLLOKOSA-N 1 2 380.456 2.121 20 0 GEADLO CCOCC[N@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1 ZINC000825594050 608268099 /nfs/dbraw/zinc/26/80/99/608268099.db2.gz IDTCQUXRTYZRSP-UHFFFAOYSA-N 1 2 397.483 2.181 20 0 GEADLO CCOCC[N@@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1 ZINC000825594050 608268100 /nfs/dbraw/zinc/26/81/00/608268100.db2.gz IDTCQUXRTYZRSP-UHFFFAOYSA-N 1 2 397.483 2.181 20 0 GEADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826389161 608324646 /nfs/dbraw/zinc/32/46/46/608324646.db2.gz REUDDPWUTYIHJI-QGZVFWFLSA-N 1 2 395.854 2.231 20 0 GEADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826389161 608324647 /nfs/dbraw/zinc/32/46/47/608324647.db2.gz REUDDPWUTYIHJI-QGZVFWFLSA-N 1 2 395.854 2.231 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000826169097 608352865 /nfs/dbraw/zinc/35/28/65/608352865.db2.gz IEAOSLXMOVAUNG-UHFFFAOYSA-N 1 2 394.479 2.072 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000826168895 608363006 /nfs/dbraw/zinc/36/30/06/608363006.db2.gz BLENNSUJQQVELH-UHFFFAOYSA-N 1 2 399.886 2.242 20 0 GEADLO CCc1nc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3OC)CC2)cs1 ZINC000825746517 608370612 /nfs/dbraw/zinc/37/06/12/608370612.db2.gz YCUJUABNIKUFGZ-UHFFFAOYSA-N 1 2 399.524 2.212 20 0 GEADLO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1c(F)cccc1F ZINC000824600182 608433549 /nfs/dbraw/zinc/43/35/49/608433549.db2.gz XHOQVVPVYNTOIT-LLVKDONJSA-N 1 2 393.419 2.269 20 0 GEADLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826334403 608525198 /nfs/dbraw/zinc/52/51/98/608525198.db2.gz TWPQTJHWJIEUOB-UHFFFAOYSA-N 1 2 395.389 2.482 20 0 GEADLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826334403 608525200 /nfs/dbraw/zinc/52/52/00/608525200.db2.gz TWPQTJHWJIEUOB-UHFFFAOYSA-N 1 2 395.389 2.482 20 0 GEADLO Cc1ncsc1C[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826331579 608548206 /nfs/dbraw/zinc/54/82/06/608548206.db2.gz OWGJRTKUFBGULO-UHFFFAOYSA-N 1 2 398.452 2.202 20 0 GEADLO Cc1ncccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826331104 608548528 /nfs/dbraw/zinc/54/85/28/608548528.db2.gz UYUHKBNAABFEAV-UHFFFAOYSA-N 1 2 392.423 2.140 20 0 GEADLO Fc1c(C[NH+]2CCN(c3ncnc4ccsc43)CC2)cccc1-c1nn[nH]n1 ZINC000826370785 608652189 /nfs/dbraw/zinc/65/21/89/608652189.db2.gz HFTYBUVUWHQMHZ-UHFFFAOYSA-N 1 2 396.455 2.333 20 0 GEADLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825176411 608677374 /nfs/dbraw/zinc/67/73/74/608677374.db2.gz SDZZSAQIVZOUBD-IBGZPJMESA-N 1 2 392.463 2.156 20 0 GEADLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825176411 608677376 /nfs/dbraw/zinc/67/73/76/608677376.db2.gz SDZZSAQIVZOUBD-IBGZPJMESA-N 1 2 392.463 2.156 20 0 GEADLO Clc1ccc(CN2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)cn1 ZINC000826352334 608714354 /nfs/dbraw/zinc/71/43/54/608714354.db2.gz XFSXTFOQVVRFGK-UHFFFAOYSA-N 1 2 375.889 2.294 20 0 GEADLO CCCOc1cccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000825342708 608839355 /nfs/dbraw/zinc/83/93/55/608839355.db2.gz WOIDGBSDUVPKKL-OAHLLOKOSA-N 1 2 394.483 2.156 20 0 GEADLO CCCOc1cccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000825342708 608839358 /nfs/dbraw/zinc/83/93/58/608839358.db2.gz WOIDGBSDUVPKKL-OAHLLOKOSA-N 1 2 394.483 2.156 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cnc(C2CCC2)s1 ZINC000825001099 608840052 /nfs/dbraw/zinc/84/00/52/608840052.db2.gz WZRIOJQXJLAJEV-GFCCVEGCSA-N 1 2 397.512 2.091 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cnc(C2CCC2)s1 ZINC000825001099 608840053 /nfs/dbraw/zinc/84/00/53/608840053.db2.gz WZRIOJQXJLAJEV-GFCCVEGCSA-N 1 2 397.512 2.091 20 0 GEADLO Cc1ccc2[nH+]cc(CN3CCO[C@@H](c4cccc(-c5nn[nH]n5)c4)C3)n2c1 ZINC000826295688 608854660 /nfs/dbraw/zinc/85/46/60/608854660.db2.gz UCHMYOXNCAPSFK-GOSISDBHSA-N 1 2 375.436 2.396 20 0 GEADLO CCC[C@@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825252571 609140725 /nfs/dbraw/zinc/14/07/25/609140725.db2.gz JGNBMCVDSSJLGU-RTBURBONSA-N 1 2 398.511 2.106 20 0 GEADLO CC[C@H]1C[C@H](CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825181462 609375916 /nfs/dbraw/zinc/37/59/16/609375916.db2.gz DZATVMWAWXLIND-MJGOQNOKSA-N 1 2 398.511 2.106 20 0 GEADLO Cc1ccccc1[C@H](CO)[NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000826305703 609427522 /nfs/dbraw/zinc/42/75/22/609427522.db2.gz GMQAQLYONJUXPB-INIZCTEOSA-N 1 2 377.408 2.048 20 0 GEADLO CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000824293831 609450242 /nfs/dbraw/zinc/45/02/42/609450242.db2.gz YXSRMNHDNBSVEC-UHFFFAOYSA-N 1 2 388.435 2.498 20 0 GEADLO Cc1c(Cl)cnc(N2CCC[N@H+](Cc3cscn3)CC2)c1-c1nn[nH]n1 ZINC000826237610 609546251 /nfs/dbraw/zinc/54/62/51/609546251.db2.gz GEDDGKAKNSBTHQ-UHFFFAOYSA-N 1 2 390.904 2.392 20 0 GEADLO Cc1c(Cl)cnc(N2CCC[N@@H+](Cc3cscn3)CC2)c1-c1nn[nH]n1 ZINC000826237610 609546253 /nfs/dbraw/zinc/54/62/53/609546253.db2.gz GEDDGKAKNSBTHQ-UHFFFAOYSA-N 1 2 390.904 2.392 20 0 GEADLO Cc1oc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1S(N)(=O)=O ZINC000446973004 649991708 /nfs/dbraw/zinc/99/17/08/649991708.db2.gz XIAXXDSOCDLKIL-UHFFFAOYSA-N 1 2 380.813 2.327 20 0 GEADLO COCC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000447277554 650004696 /nfs/dbraw/zinc/00/46/96/650004696.db2.gz JBZZURYYGGXEGX-ZDUSSCGKSA-N 1 2 380.432 2.437 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccoc3Br)cc2C1 ZINC000447685311 650008124 /nfs/dbraw/zinc/00/81/24/650008124.db2.gz JYCWMPXOFVCVLZ-UHFFFAOYSA-N 1 2 378.226 2.138 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccoc3Br)cc2C1 ZINC000447685311 650008127 /nfs/dbraw/zinc/00/81/27/650008127.db2.gz JYCWMPXOFVCVLZ-UHFFFAOYSA-N 1 2 378.226 2.138 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000448130601 650013784 /nfs/dbraw/zinc/01/37/84/650013784.db2.gz RZVCXOGOQZCZPL-NSHDSACASA-N 1 2 390.245 2.437 20 0 GEADLO Nc1ccc(CNC(=O)Nc2cc(Br)cnc2-n2cccn2)c[nH+]1 ZINC000448533885 650016579 /nfs/dbraw/zinc/01/65/79/650016579.db2.gz ABSCKRDHTQNVIZ-UHFFFAOYSA-N 1 2 388.229 2.329 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448877222 650024505 /nfs/dbraw/zinc/02/45/05/650024505.db2.gz CZURSMZLVNKSDI-UHFFFAOYSA-N 1 2 393.285 2.039 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@H](C)C1 ZINC000449028720 650030095 /nfs/dbraw/zinc/03/00/95/650030095.db2.gz MNRGBBBICVPOKA-CHWSQXEVSA-N 1 2 385.302 2.431 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+]1CCOC[C@H](C)C1 ZINC000449028720 650030097 /nfs/dbraw/zinc/03/00/97/650030097.db2.gz MNRGBBBICVPOKA-CHWSQXEVSA-N 1 2 385.302 2.431 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449032808 650030708 /nfs/dbraw/zinc/03/07/08/650030708.db2.gz ZJINWOPLXWBLFN-LBPRGKRZSA-N 1 2 384.299 2.121 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449032808 650030710 /nfs/dbraw/zinc/03/07/10/650030710.db2.gz ZJINWOPLXWBLFN-LBPRGKRZSA-N 1 2 384.299 2.121 20 0 GEADLO Fc1cc(Br)cc(CNc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000449182902 650033298 /nfs/dbraw/zinc/03/32/98/650033298.db2.gz DKFKOBKEOOCQFJ-UHFFFAOYSA-N 1 2 383.265 2.729 20 0 GEADLO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Br)c(F)cc1O ZINC000450082340 650059759 /nfs/dbraw/zinc/05/97/59/650059759.db2.gz RKCMJIASOSEKQT-JTQLQIEISA-N 1 2 377.254 2.380 20 0 GEADLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1Cl ZINC000450498595 650066184 /nfs/dbraw/zinc/06/61/84/650066184.db2.gz IWKGCPHTUAJIRI-AWEZNQCLSA-N 1 2 386.901 2.127 20 0 GEADLO COC(=O)c1cccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1Cl ZINC000450498595 650066185 /nfs/dbraw/zinc/06/61/85/650066185.db2.gz IWKGCPHTUAJIRI-AWEZNQCLSA-N 1 2 386.901 2.127 20 0 GEADLO C[C@@H](O)CCSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000450807407 650070751 /nfs/dbraw/zinc/07/07/51/650070751.db2.gz GDJANAZRLQCTNN-CYBMUJFWSA-N 1 2 383.539 2.043 20 0 GEADLO O=C1N=NC([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)O1 ZINC000450899825 650074850 /nfs/dbraw/zinc/07/48/50/650074850.db2.gz DVDONOQZDSOVCU-YPMHNXCESA-N 1 2 398.257 2.157 20 0 GEADLO O=C1N=NC([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)O1 ZINC000450899825 650074852 /nfs/dbraw/zinc/07/48/52/650074852.db2.gz DVDONOQZDSOVCU-YPMHNXCESA-N 1 2 398.257 2.157 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)o1 ZINC000450899825 650074856 /nfs/dbraw/zinc/07/48/56/650074856.db2.gz DVDONOQZDSOVCU-YPMHNXCESA-N 1 2 398.257 2.157 20 0 GEADLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000451047135 650081858 /nfs/dbraw/zinc/08/18/58/650081858.db2.gz RJJOBJFXKNLUDD-UHFFFAOYSA-N 1 2 380.367 2.403 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)C[C@H]2CCCC2(F)F)C[C@@H](C)O1 ZINC000451108255 650087500 /nfs/dbraw/zinc/08/75/00/650087500.db2.gz AHLHHGPPHHDIFH-FPCVCCKLSA-N 1 2 380.501 2.325 20 0 GEADLO O=S(=O)(CCC1CCCC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000451107905 650087505 /nfs/dbraw/zinc/08/75/05/650087505.db2.gz JYCVYVLZSQUPAO-UHFFFAOYSA-N 1 2 386.480 2.483 20 0 GEADLO O=S(=O)(C[C@@H]1CCCCC1(F)F)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000451199338 650095969 /nfs/dbraw/zinc/09/59/69/650095969.db2.gz QYUHGMKWOAYYTO-HOTGVXAUSA-N 1 2 380.501 2.186 20 0 GEADLO O=C1[C@H]([N@@H+]2CC[C@](O)(C(F)F)C2)CCN1c1cccc(Br)c1 ZINC000451436427 650113979 /nfs/dbraw/zinc/11/39/79/650113979.db2.gz RVUJHWYVTSNXFH-IUODEOHRSA-N 1 2 375.213 2.256 20 0 GEADLO O=C1[C@H]([N@H+]2CC[C@](O)(C(F)F)C2)CCN1c1cccc(Br)c1 ZINC000451436427 650113982 /nfs/dbraw/zinc/11/39/82/650113982.db2.gz RVUJHWYVTSNXFH-IUODEOHRSA-N 1 2 375.213 2.256 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)CC[N@@H+]2CCOC[C@H]2C)c1 ZINC000451451902 650115593 /nfs/dbraw/zinc/11/55/93/650115593.db2.gz DHRPBEIMTDJFQH-DYVFJYSZSA-N 1 2 387.318 2.144 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)CC[N@H+]2CCOC[C@H]2C)c1 ZINC000451451902 650115595 /nfs/dbraw/zinc/11/55/95/650115595.db2.gz DHRPBEIMTDJFQH-DYVFJYSZSA-N 1 2 387.318 2.144 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@H]21 ZINC000451527149 650123425 /nfs/dbraw/zinc/12/34/25/650123425.db2.gz JOMPFCONJCQYOU-YLFCFFPRSA-N 1 2 379.298 2.484 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@H]21 ZINC000451527149 650123426 /nfs/dbraw/zinc/12/34/26/650123426.db2.gz JOMPFCONJCQYOU-YLFCFFPRSA-N 1 2 379.298 2.484 20 0 GEADLO COC[C@]1(CO)CC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000451926624 650154165 /nfs/dbraw/zinc/15/41/65/650154165.db2.gz MDWVKNFSBJGPSH-CQSZACIVSA-N 1 2 388.287 2.391 20 0 GEADLO COC[C@]1(CO)CC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000451926624 650154168 /nfs/dbraw/zinc/15/41/68/650154168.db2.gz MDWVKNFSBJGPSH-CQSZACIVSA-N 1 2 388.287 2.391 20 0 GEADLO CCCc1nc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)cs1 ZINC000452020635 650166942 /nfs/dbraw/zinc/16/69/42/650166942.db2.gz SGUSDOBGWGPNGA-UHFFFAOYSA-N 1 2 387.502 2.393 20 0 GEADLO CCCc1nc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)cs1 ZINC000452020635 650166944 /nfs/dbraw/zinc/16/69/44/650166944.db2.gz SGUSDOBGWGPNGA-UHFFFAOYSA-N 1 2 387.502 2.393 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000453725267 650220066 /nfs/dbraw/zinc/22/00/66/650220066.db2.gz QVHJYXWEGILXIQ-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO O=C(c1ccc(I)cn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000454200944 650258503 /nfs/dbraw/zinc/25/85/03/650258503.db2.gz XDYSZLIILWDBFA-UHFFFAOYSA-N 1 2 394.216 2.044 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000454267852 650261140 /nfs/dbraw/zinc/26/11/40/650261140.db2.gz OTCYJGLYTLOHTF-BAABZTOOSA-N 1 2 382.302 2.482 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000454663247 650274898 /nfs/dbraw/zinc/27/48/98/650274898.db2.gz UPLFMISYONTJLV-SFAKSCPVSA-N 1 2 382.302 2.482 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000454663247 650274902 /nfs/dbraw/zinc/27/49/02/650274902.db2.gz UPLFMISYONTJLV-SFAKSCPVSA-N 1 2 382.302 2.482 20 0 GEADLO COc1cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc(Br)c1OC ZINC000456196128 650333229 /nfs/dbraw/zinc/33/32/29/650333229.db2.gz BVXOETFHRYPPMJ-BETUJISGSA-N 1 2 399.285 2.059 20 0 GEADLO COc1cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc(Br)c1OC ZINC000456196128 650333230 /nfs/dbraw/zinc/33/32/30/650333230.db2.gz BVXOETFHRYPPMJ-BETUJISGSA-N 1 2 399.285 2.059 20 0 GEADLO Cc1ccc(C[C@H](CO)CNC(=O)CCc2c[nH]c[nH+]2)cc1Br ZINC000456482853 650342461 /nfs/dbraw/zinc/34/24/61/650342461.db2.gz FSCAMOPJTKYZRL-AWEZNQCLSA-N 1 2 380.286 2.381 20 0 GEADLO Cc1ccc(C[C@H](CO)CNC(=O)CCc2c[nH+]c[nH]2)cc1Br ZINC000456482853 650342463 /nfs/dbraw/zinc/34/24/63/650342463.db2.gz FSCAMOPJTKYZRL-AWEZNQCLSA-N 1 2 380.286 2.381 20 0 GEADLO CNC(=O)C[C@@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000456502459 650343550 /nfs/dbraw/zinc/34/35/50/650343550.db2.gz JDRCQHJKYLAXBH-WBMJQRKESA-N 1 2 382.302 2.227 20 0 GEADLO O=C(CCn1cc[nH+]c1)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456706961 650355512 /nfs/dbraw/zinc/35/55/12/650355512.db2.gz CRVGDWMVOVLCEY-ZDUSSCGKSA-N 1 2 384.249 2.142 20 0 GEADLO COc1ccc(C(=O)NCCc2cn(C)c[nH+]2)cc1I ZINC000457846093 650386423 /nfs/dbraw/zinc/38/64/23/650386423.db2.gz BRVYRQPHYPOCGQ-UHFFFAOYSA-N 1 2 385.205 2.006 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)CCOc2cccc(I)c2)c1 ZINC000457845247 650386456 /nfs/dbraw/zinc/38/64/56/650386456.db2.gz AOIQANJZSFZEQF-UHFFFAOYSA-N 1 2 399.232 2.153 20 0 GEADLO CC[C@@H](NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)[C@H](C)O ZINC000458685827 650407491 /nfs/dbraw/zinc/40/74/91/650407491.db2.gz ZCIKVYSIJKRCLL-SMDDNHRTSA-N 1 2 383.290 2.406 20 0 GEADLO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000502712180 650410531 /nfs/dbraw/zinc/41/05/31/650410531.db2.gz PICJBQIPGAZNAS-OAHLLOKOSA-N 1 2 388.555 2.023 20 0 GEADLO CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000502712180 650410533 /nfs/dbraw/zinc/41/05/33/650410533.db2.gz PICJBQIPGAZNAS-OAHLLOKOSA-N 1 2 388.555 2.023 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccccc1Br)CC1CCS(=O)(=O)CC1 ZINC000502706693 650410644 /nfs/dbraw/zinc/41/06/44/650410644.db2.gz RKSJRXUPWFMMSW-UHFFFAOYSA-N 1 2 389.315 2.144 20 0 GEADLO C[N@H+](CC(=O)Nc1ccccc1Br)CC1CCS(=O)(=O)CC1 ZINC000502706693 650410646 /nfs/dbraw/zinc/41/06/46/650410646.db2.gz RKSJRXUPWFMMSW-UHFFFAOYSA-N 1 2 389.315 2.144 20 0 GEADLO CSc1ccc([C@H](CNC(=O)N[C@@H](C)CCS(C)(=O)=O)[NH+](C)C)cc1 ZINC000458884002 650413281 /nfs/dbraw/zinc/41/32/81/650413281.db2.gz FWPGCRGHBHMLDW-BBRMVZONSA-N 1 2 387.571 2.134 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NC/C=C/c1ccc(Br)cc1 ZINC000458977122 650416497 /nfs/dbraw/zinc/41/64/97/650416497.db2.gz OXVGWARANFWCOE-NSCUHMNNSA-N 1 2 382.302 2.436 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC000459356753 650423228 /nfs/dbraw/zinc/42/32/28/650423228.db2.gz VJSPOHZGIHRZTQ-JTQLQIEISA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC000459356753 650423234 /nfs/dbraw/zinc/42/32/34/650423234.db2.gz VJSPOHZGIHRZTQ-JTQLQIEISA-N 1 2 396.738 2.108 20 0 GEADLO COC(=O)c1cccc(NC(=O)NCCc2cn(C)c[nH+]2)c1Br ZINC000459503674 650426600 /nfs/dbraw/zinc/42/66/00/650426600.db2.gz CFRFIINQDICGND-UHFFFAOYSA-N 1 2 381.230 2.333 20 0 GEADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2nn(C)cc2I)[C@H]1SC ZINC000459562438 650428785 /nfs/dbraw/zinc/42/87/85/650428785.db2.gz CMYMCFLWRWZFLF-YUSALJHKSA-N 1 2 381.283 2.023 20 0 GEADLO Cc1c(Br)cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1Br ZINC000459714147 650430882 /nfs/dbraw/zinc/43/08/82/650430882.db2.gz TVEPIAUPDFNLMN-GXFFZTMASA-N 1 2 379.092 2.305 20 0 GEADLO Cc1c(Br)cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)cc1Br ZINC000459714147 650430885 /nfs/dbraw/zinc/43/08/85/650430885.db2.gz TVEPIAUPDFNLMN-GXFFZTMASA-N 1 2 379.092 2.305 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cnn4ccncc34)[nH+]c12 ZINC000504872368 650433454 /nfs/dbraw/zinc/43/34/54/650433454.db2.gz CLKOYGHDLZKSMU-UHFFFAOYSA-N 1 2 399.252 2.420 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)N2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000459882541 650434780 /nfs/dbraw/zinc/43/47/80/650434780.db2.gz DAGTYXZHZRHGOV-INIZCTEOSA-N 1 2 375.519 2.058 20 0 GEADLO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000459944239 650436249 /nfs/dbraw/zinc/43/62/49/650436249.db2.gz JMVUYFRTVNVVSU-UHFFFAOYSA-N 1 2 394.313 2.104 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000462022296 650464266 /nfs/dbraw/zinc/46/42/66/650464266.db2.gz ZRMSKXHOIUQZNE-NWDGAFQWSA-N 1 2 399.285 2.075 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000508873350 650484138 /nfs/dbraw/zinc/48/41/38/650484138.db2.gz KSNODNHGNVCLSX-SNVBAGLBSA-N 1 2 393.292 2.295 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cc3cc(Br)cc4c3OCC4)CC2)cn1 ZINC000462793435 650490634 /nfs/dbraw/zinc/49/06/34/650490634.db2.gz VETZHCYHESVRPZ-UHFFFAOYSA-N 1 2 391.313 2.435 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000508873350 650484139 /nfs/dbraw/zinc/48/41/39/650484139.db2.gz KSNODNHGNVCLSX-SNVBAGLBSA-N 1 2 393.292 2.295 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CCc1cccc(Br)c1 ZINC000463327295 650493330 /nfs/dbraw/zinc/49/33/30/650493330.db2.gz FQSURJNPRPHMNO-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC000463344702 650493822 /nfs/dbraw/zinc/49/38/22/650493822.db2.gz JXMNRMCPNPUTCW-CYBMUJFWSA-N 1 2 380.432 2.408 20 0 GEADLO CCc1[nH]nc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1Br ZINC000468918087 650508084 /nfs/dbraw/zinc/50/80/84/650508084.db2.gz JWKZKMGMQVPDBD-UHFFFAOYSA-N 1 2 399.333 2.452 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000469424146 650510144 /nfs/dbraw/zinc/51/01/44/650510144.db2.gz JPMUZORULLBIFO-LBPRGKRZSA-N 1 2 391.269 2.464 20 0 GEADLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511078434 650525325 /nfs/dbraw/zinc/52/53/25/650525325.db2.gz AKTCGZTUBIXPTR-STQMWFEESA-N 1 2 384.527 2.463 20 0 GEADLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511078434 650525327 /nfs/dbraw/zinc/52/53/27/650525327.db2.gz AKTCGZTUBIXPTR-STQMWFEESA-N 1 2 384.527 2.463 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511095068 650525791 /nfs/dbraw/zinc/52/57/91/650525791.db2.gz IDDHGJLCEBQROG-KBPBESRZSA-N 1 2 387.933 2.270 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511095068 650525793 /nfs/dbraw/zinc/52/57/93/650525793.db2.gz IDDHGJLCEBQROG-KBPBESRZSA-N 1 2 387.933 2.270 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)CCS(C)(=O)=O)c1ccsc1 ZINC000474242889 650528770 /nfs/dbraw/zinc/52/87/70/650528770.db2.gz UALAMWNHPMGTJC-HIFRSBDPSA-N 1 2 375.560 2.253 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2Br)[C@H](C)C1 ZINC000511225692 650529679 /nfs/dbraw/zinc/52/96/79/650529679.db2.gz VEAOFXUYIZIXAE-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2Br)[C@H](C)C1 ZINC000511225692 650529680 /nfs/dbraw/zinc/52/96/80/650529680.db2.gz VEAOFXUYIZIXAE-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000475403331 650532742 /nfs/dbraw/zinc/53/27/42/650532742.db2.gz VMDFABRLPGYBIN-UHFFFAOYSA-N 1 2 384.841 2.363 20 0 GEADLO C[C@](CO)([NH2+]Cc1ncnn1CC(F)F)c1ccc(Br)cc1 ZINC000511591671 650539066 /nfs/dbraw/zinc/53/90/66/650539066.db2.gz GTHMZDAUPYTORM-CQSZACIVSA-N 1 2 375.217 2.303 20 0 GEADLO C[C@@](CO)([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(Br)cc1 ZINC000511591650 650539073 /nfs/dbraw/zinc/53/90/73/650539073.db2.gz GPXPZCRYEORNIW-KRWDZBQOSA-N 1 2 388.269 2.422 20 0 GEADLO O=S(=O)(CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)c1ccc(F)cc1 ZINC000511629156 650539977 /nfs/dbraw/zinc/53/99/77/650539977.db2.gz OTWPGQSEZOLQIK-WFASDCNBSA-N 1 2 383.407 2.482 20 0 GEADLO O=S(=O)(CCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)c1ccc(F)cc1 ZINC000511629156 650539979 /nfs/dbraw/zinc/53/99/79/650539979.db2.gz OTWPGQSEZOLQIK-WFASDCNBSA-N 1 2 383.407 2.482 20 0 GEADLO OCCOc1ccccc1C[NH2+]Cc1ncc(I)s1 ZINC000512045569 650544725 /nfs/dbraw/zinc/54/47/25/650544725.db2.gz MVJUQAREFFXIRR-UHFFFAOYSA-N 1 2 390.246 2.409 20 0 GEADLO COCC[NH+]1CCN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 ZINC000512328852 650546611 /nfs/dbraw/zinc/54/66/11/650546611.db2.gz NZNXIEBIOUIFFN-UHFFFAOYSA-N 1 2 385.277 2.410 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000476525123 650552535 /nfs/dbraw/zinc/55/25/35/650552535.db2.gz KZCAKEQZHNRWAV-UONOGXRCSA-N 1 2 390.933 2.468 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000476525123 650552538 /nfs/dbraw/zinc/55/25/38/650552538.db2.gz KZCAKEQZHNRWAV-UONOGXRCSA-N 1 2 390.933 2.468 20 0 GEADLO COC(=O)C[C@](C)([NH2+]Cc1nnc(C)n1C)c1ccc(Br)cc1 ZINC000513127003 650558223 /nfs/dbraw/zinc/55/82/23/650558223.db2.gz BEZUTGBLGLFMKN-INIZCTEOSA-N 1 2 381.274 2.454 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000513209246 650559922 /nfs/dbraw/zinc/55/99/22/650559922.db2.gz HQPBSSJNQHTSDJ-UHFFFAOYSA-N 1 2 386.539 2.420 20 0 GEADLO NC(=O)[C@@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1cccc(Br)c1 ZINC000513352177 650561825 /nfs/dbraw/zinc/56/18/25/650561825.db2.gz ZQUKPVGIYUSNQR-INIZCTEOSA-N 1 2 390.237 2.096 20 0 GEADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000513385985 650562419 /nfs/dbraw/zinc/56/24/19/650562419.db2.gz DHHXNAPHIFMREB-CQSZACIVSA-N 1 2 386.323 2.358 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NCCOc1ccc(I)cc1 ZINC000513857194 650570453 /nfs/dbraw/zinc/57/04/53/650570453.db2.gz IFVKVXYXSJYWNT-UHFFFAOYSA-N 1 2 399.232 2.153 20 0 GEADLO CCOCCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000477624016 650577041 /nfs/dbraw/zinc/57/70/41/650577041.db2.gz SHYRWEPDGARAQK-UHFFFAOYSA-N 1 2 385.262 2.487 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1c[nH]c2nccnc12 ZINC000515720190 650593419 /nfs/dbraw/zinc/59/34/19/650593419.db2.gz BGOYMXLMOFJDSI-UHFFFAOYSA-N 1 2 375.230 2.138 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1c[nH]c2nccnc12 ZINC000515720190 650593424 /nfs/dbraw/zinc/59/34/24/650593424.db2.gz BGOYMXLMOFJDSI-UHFFFAOYSA-N 1 2 375.230 2.138 20 0 GEADLO OCCNc1nc(NCc2cc(F)cc(Br)c2)[nH+]c2ccccc21 ZINC000515606667 650592964 /nfs/dbraw/zinc/59/29/64/650592964.db2.gz MYZPXYQKHWJDKP-UHFFFAOYSA-N 1 2 391.244 2.392 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)ccc1Br ZINC000518194500 650602755 /nfs/dbraw/zinc/60/27/55/650602755.db2.gz VYEVWEWMAUXNCI-UHFFFAOYSA-N 1 2 379.258 2.489 20 0 GEADLO CN(CC(=O)NCCCCn1cc[nH+]c1)C(=O)c1ccc(Br)s1 ZINC000518509392 650605349 /nfs/dbraw/zinc/60/53/49/650605349.db2.gz FBLWLBXLCWSYKF-UHFFFAOYSA-N 1 2 399.314 2.376 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1[nH]nc2ccc(I)cc21 ZINC000480016230 650614720 /nfs/dbraw/zinc/61/47/20/650614720.db2.gz RNJATHDHIADXBF-UHFFFAOYSA-N 1 2 381.177 2.129 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCCOc1ccccc1Br ZINC000520527832 650615087 /nfs/dbraw/zinc/61/50/87/650615087.db2.gz GZGKBEPSUDYYBX-CQSZACIVSA-N 1 2 385.302 2.445 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCCOc1ccccc1Br ZINC000520527832 650615088 /nfs/dbraw/zinc/61/50/88/650615088.db2.gz GZGKBEPSUDYYBX-CQSZACIVSA-N 1 2 385.302 2.445 20 0 GEADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000521441180 650617512 /nfs/dbraw/zinc/61/75/12/650617512.db2.gz FFXSBMQFNVNDET-IAQYHMDHSA-N 1 2 379.869 2.086 20 0 GEADLO Cc1ncc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)c(=O)[nH]1 ZINC000480703931 650628836 /nfs/dbraw/zinc/62/88/36/650628836.db2.gz BPOYZOVOQLEWPQ-CYBMUJFWSA-N 1 2 398.282 2.261 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c(Br)c1 ZINC000480905489 650637179 /nfs/dbraw/zinc/63/71/79/650637179.db2.gz YTKDYBRGLPYGLE-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c(Br)c1 ZINC000480905489 650637180 /nfs/dbraw/zinc/63/71/80/650637180.db2.gz YTKDYBRGLPYGLE-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)CCCOc1ccccc1Br ZINC000524285326 650639964 /nfs/dbraw/zinc/63/99/64/650639964.db2.gz NPKSKQANERNYIP-UHFFFAOYSA-N 1 2 385.302 2.399 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000481490927 650647716 /nfs/dbraw/zinc/64/77/16/650647716.db2.gz HSYDCTPBTTZLLP-BJJXKVORSA-N 1 2 386.286 2.462 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000481490927 650647718 /nfs/dbraw/zinc/64/77/18/650647718.db2.gz HSYDCTPBTTZLLP-BJJXKVORSA-N 1 2 386.286 2.462 20 0 GEADLO NC(=O)[C@@H]([NH2+]CC(=O)N1Cc2ccccc2C1)c1ccc(Br)cc1 ZINC000481696300 650651543 /nfs/dbraw/zinc/65/15/43/650651543.db2.gz XFGKBZSBIHPKRN-KRWDZBQOSA-N 1 2 388.265 2.108 20 0 GEADLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000481750723 650652293 /nfs/dbraw/zinc/65/22/93/650652293.db2.gz PFEFIBLVLNYFDT-LSDHHAIUSA-N 1 2 399.285 2.430 20 0 GEADLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000481750723 650652295 /nfs/dbraw/zinc/65/22/95/650652295.db2.gz PFEFIBLVLNYFDT-LSDHHAIUSA-N 1 2 399.285 2.430 20 0 GEADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ncccc1Br ZINC000527230886 650671876 /nfs/dbraw/zinc/67/18/76/650671876.db2.gz AIWFETFVOBKMFT-UHFFFAOYSA-N 1 2 389.297 2.396 20 0 GEADLO CN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000527337207 650673623 /nfs/dbraw/zinc/67/36/23/650673623.db2.gz RGVHFYZQOFAZKB-HIFRSBDPSA-N 1 2 398.301 2.245 20 0 GEADLO CN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000527337207 650673626 /nfs/dbraw/zinc/67/36/26/650673626.db2.gz RGVHFYZQOFAZKB-HIFRSBDPSA-N 1 2 398.301 2.245 20 0 GEADLO Clc1sccc1CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000483289441 650676154 /nfs/dbraw/zinc/67/61/54/650676154.db2.gz MYDIUVRISYQNNI-UHFFFAOYSA-N 1 2 379.917 2.350 20 0 GEADLO C[C@@H]1C[NH+](C[C@H](O)COc2ccc(Br)cc2)C[C@@H](C)S1=O ZINC000484717818 650689017 /nfs/dbraw/zinc/68/90/17/650689017.db2.gz VZCXPELBSWCXLG-BZPMIXESSA-N 1 2 376.316 2.030 20 0 GEADLO Cc1ccc(Br)c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC000529753054 650706336 /nfs/dbraw/zinc/70/63/36/650706336.db2.gz QWJVSZWMDYUYNC-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1ccc(Br)c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC000529753054 650706339 /nfs/dbraw/zinc/70/63/39/650706339.db2.gz QWJVSZWMDYUYNC-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000529753890 650706402 /nfs/dbraw/zinc/70/64/02/650706402.db2.gz UADRPOKDYBEPBW-QGZVFWFLSA-N 1 2 383.901 2.228 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000529753890 650706406 /nfs/dbraw/zinc/70/64/06/650706406.db2.gz UADRPOKDYBEPBW-QGZVFWFLSA-N 1 2 383.901 2.228 20 0 GEADLO Cc1cc(Br)cc(NC(=O)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000486376424 650712671 /nfs/dbraw/zinc/71/26/71/650712671.db2.gz UEUZTVPZTRHTAW-UHFFFAOYSA-N 1 2 377.242 2.319 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NCC1(CS(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000530994028 650732534 /nfs/dbraw/zinc/73/25/34/650732534.db2.gz KYMLCLYTQDFARB-HNNXBMFYSA-N 1 2 387.933 2.067 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(NCc3ccco3)s2)CC1 ZINC000022088160 642403422 /nfs/dbraw/zinc/40/34/22/642403422.db2.gz MKAOHNJFSWGLCJ-GFCCVEGCSA-N 1 2 381.527 2.388 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)sc2C1 ZINC000024152473 642416186 /nfs/dbraw/zinc/41/61/86/642416186.db2.gz IQWMXHMCZMSBQF-LBPRGKRZSA-N 1 2 376.507 2.436 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)sc2C1 ZINC000024152473 642416196 /nfs/dbraw/zinc/41/61/96/642416196.db2.gz IQWMXHMCZMSBQF-LBPRGKRZSA-N 1 2 376.507 2.436 20 0 GEADLO CCn1cc(C[N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)cn1 ZINC000532575871 650750476 /nfs/dbraw/zinc/75/04/76/650750476.db2.gz GQAKLIPCNXQDJI-UHFFFAOYSA-N 1 2 376.258 2.305 20 0 GEADLO CCn1cc(C[N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)cn1 ZINC000532575871 650750480 /nfs/dbraw/zinc/75/04/80/650750480.db2.gz GQAKLIPCNXQDJI-UHFFFAOYSA-N 1 2 376.258 2.305 20 0 GEADLO NC(=O)c1ccc(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)cn1 ZINC000532859760 650754166 /nfs/dbraw/zinc/75/41/66/650754166.db2.gz WHADLKMEFNUDQH-UHFFFAOYSA-N 1 2 377.235 2.358 20 0 GEADLO O=S(=O)(CC[NH+]1CCC2(CC1)OCCO2)c1ccc(Br)cc1 ZINC000028077845 642444839 /nfs/dbraw/zinc/44/48/39/642444839.db2.gz QCQYBOCSLDXVSW-UHFFFAOYSA-N 1 2 390.299 2.062 20 0 GEADLO CCCCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000029928333 642471928 /nfs/dbraw/zinc/47/19/28/642471928.db2.gz VUQWZLMFQHKRRZ-UHFFFAOYSA-N 1 2 397.317 2.411 20 0 GEADLO CC(C)CSCCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000533738441 650765006 /nfs/dbraw/zinc/76/50/06/650765006.db2.gz FCTJGQVOYDUDHX-QGZVFWFLSA-N 1 2 375.604 2.273 20 0 GEADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCOCC1 ZINC000041281302 642528916 /nfs/dbraw/zinc/52/89/16/642528916.db2.gz JQSZOTOAKSZHOD-AWEZNQCLSA-N 1 2 388.295 2.405 20 0 GEADLO O=[N+]([O-])c1ccc(NC(=S)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000041746066 642531696 /nfs/dbraw/zinc/53/16/96/642531696.db2.gz GILKXGJYKKGOLS-MRXNPFEDSA-N 1 2 382.511 2.089 20 0 GEADLO O=C([C@@H]1CCCO1)N1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000042365337 642551605 /nfs/dbraw/zinc/55/16/05/642551605.db2.gz TVPQTEPAGFKCMI-INIZCTEOSA-N 1 2 383.286 2.151 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)s1 ZINC000045809906 642598007 /nfs/dbraw/zinc/59/80/07/642598007.db2.gz GZTZGPGGYRRRDZ-AWEZNQCLSA-N 1 2 387.552 2.027 20 0 GEADLO O=C(NCc1n[nH]cc1Br)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534527044 650777045 /nfs/dbraw/zinc/77/70/45/650777045.db2.gz VETCVOPUAKURGV-UHFFFAOYSA-N 1 2 384.303 2.261 20 0 GEADLO CC(=O)N(C)C1CC[NH+](Cn2c(=O)oc3cc(Br)ccc32)CC1 ZINC000052085261 642709771 /nfs/dbraw/zinc/70/97/71/642709771.db2.gz OHQRKUQGROROLW-UHFFFAOYSA-N 1 2 382.258 2.257 20 0 GEADLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000052213749 642712389 /nfs/dbraw/zinc/71/23/89/642712389.db2.gz PBHQJQBGDQJTQF-KRWDZBQOSA-N 1 2 394.313 2.277 20 0 GEADLO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000052213749 642712395 /nfs/dbraw/zinc/71/23/95/642712395.db2.gz PBHQJQBGDQJTQF-KRWDZBQOSA-N 1 2 394.313 2.277 20 0 GEADLO O=C(CN1CCSC1=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000052553510 642721711 /nfs/dbraw/zinc/72/17/11/642721711.db2.gz KYOSAUIYCSDYID-UHFFFAOYSA-N 1 2 383.901 2.032 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000534635931 650779005 /nfs/dbraw/zinc/77/90/05/650779005.db2.gz NRCRRIODXQKSJX-NSHDSACASA-N 1 2 375.230 2.045 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000052693529 642725182 /nfs/dbraw/zinc/72/51/82/642725182.db2.gz IASJTCQTKXTSSM-LBPRGKRZSA-N 1 2 391.331 2.219 20 0 GEADLO COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000052693529 642725186 /nfs/dbraw/zinc/72/51/86/642725186.db2.gz IASJTCQTKXTSSM-LBPRGKRZSA-N 1 2 391.331 2.219 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000052691940 642725447 /nfs/dbraw/zinc/72/54/47/642725447.db2.gz MTFWKFACGXNQJT-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000052691940 642725451 /nfs/dbraw/zinc/72/54/51/642725451.db2.gz MTFWKFACGXNQJT-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO O=C(CNC(=O)C1CC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000535743333 650790100 /nfs/dbraw/zinc/79/01/00/650790100.db2.gz OEAUJOPSAZHRDK-UHFFFAOYSA-N 1 2 384.307 2.206 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCCCc1cccc(Br)c1 ZINC000066716753 642934571 /nfs/dbraw/zinc/93/45/71/642934571.db2.gz MURGVZYBLNMVRY-UHFFFAOYSA-N 1 2 384.318 2.355 20 0 GEADLO C#CCC[NH+]1CCN(S(=O)(=O)/C=C/c2cccc(Br)c2)CC1 ZINC000066914193 642949594 /nfs/dbraw/zinc/94/95/94/642949594.db2.gz HXWOEWFYMKZLES-NTUHNPAUSA-N 1 2 383.311 2.391 20 0 GEADLO NC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000066939833 642954706 /nfs/dbraw/zinc/95/47/06/642954706.db2.gz YILIAFJELJZFOT-HNNXBMFYSA-N 1 2 380.217 2.343 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000068507317 643004494 /nfs/dbraw/zinc/00/44/94/643004494.db2.gz CKFNSNNNEYMXKU-UHFFFAOYSA-N 1 2 384.567 2.256 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc3c(cccc3F)s2)CC1 ZINC000068508810 643004621 /nfs/dbraw/zinc/00/46/21/643004621.db2.gz PYLURMCPPRZOIF-UHFFFAOYSA-N 1 2 384.498 2.279 20 0 GEADLO CN(C1CC[NH+](Cc2cccc(Br)c2O)CC1)S(C)(=O)=O ZINC000092530279 643071878 /nfs/dbraw/zinc/07/18/78/643071878.db2.gz LFMNJUXCLCDICA-UHFFFAOYSA-N 1 2 377.304 2.011 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(CCOc2ccccc2Br)CC1 ZINC000093291891 643075723 /nfs/dbraw/zinc/07/57/23/643075723.db2.gz LYEVLVLDEMEWTE-UHFFFAOYSA-N 1 2 398.345 2.314 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cc3cnc4ccc(Br)cn34)CC2)cn1 ZINC000537636651 650818924 /nfs/dbraw/zinc/81/89/24/650818924.db2.gz AZEQFTRKSIYZES-UHFFFAOYSA-N 1 2 389.301 2.148 20 0 GEADLO CSc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000537629450 650818983 /nfs/dbraw/zinc/81/89/83/650818983.db2.gz HKORZXWBJRJBTR-LBPRGKRZSA-N 1 2 379.345 2.424 20 0 GEADLO CSc1cc(Br)ccc1C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000537629450 650818986 /nfs/dbraw/zinc/81/89/86/650818986.db2.gz HKORZXWBJRJBTR-LBPRGKRZSA-N 1 2 379.345 2.424 20 0 GEADLO COc1nc(N2CC[NH+](C/C=C\c3ccncc3)CC2)ncc1Br ZINC000494943125 650819442 /nfs/dbraw/zinc/81/94/42/650819442.db2.gz UBEGNCLENPVHJP-IHWYPQMZSA-N 1 2 390.285 2.478 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000104792633 643194069 /nfs/dbraw/zinc/19/40/69/643194069.db2.gz LJDFIZARMNPQPV-GFCCVEGCSA-N 1 2 376.682 2.232 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000104792633 643194071 /nfs/dbraw/zinc/19/40/71/643194071.db2.gz LJDFIZARMNPQPV-GFCCVEGCSA-N 1 2 376.682 2.232 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2sccc2Br)CCO1 ZINC000495133457 650822901 /nfs/dbraw/zinc/82/29/01/650822901.db2.gz TZSZORPSNGOOAI-LLVKDONJSA-N 1 2 376.320 2.421 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2sccc2Br)CCO1 ZINC000495133457 650822902 /nfs/dbraw/zinc/82/29/02/650822902.db2.gz TZSZORPSNGOOAI-LLVKDONJSA-N 1 2 376.320 2.421 20 0 GEADLO CC(C)N1C(=O)C(=O)N(C[N@H+](C)CCc2ccc(Br)cc2)C1=O ZINC000106854540 643241651 /nfs/dbraw/zinc/24/16/51/643241651.db2.gz PRQPRJDIJMIGLS-UHFFFAOYSA-N 1 2 382.258 2.080 20 0 GEADLO CC(C)N1C(=O)C(=O)N(C[N@@H+](C)CCc2ccc(Br)cc2)C1=O ZINC000106854540 643241657 /nfs/dbraw/zinc/24/16/57/643241657.db2.gz PRQPRJDIJMIGLS-UHFFFAOYSA-N 1 2 382.258 2.080 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCCc2ccc(Br)cc2)CCO1 ZINC000495217148 650824089 /nfs/dbraw/zinc/82/40/89/650824089.db2.gz ABFKGQNHUBTKSF-INIZCTEOSA-N 1 2 384.318 2.402 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCCc2ccc(Br)cc2)CCO1 ZINC000495217148 650824091 /nfs/dbraw/zinc/82/40/91/650824091.db2.gz ABFKGQNHUBTKSF-INIZCTEOSA-N 1 2 384.318 2.402 20 0 GEADLO O[C@@H](CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C[NH+]1CCOCC1 ZINC000106935338 643247054 /nfs/dbraw/zinc/24/70/54/643247054.db2.gz HXMRWXHAOBRGNF-SJKOYZFVSA-N 1 2 393.286 2.199 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000107302632 643253399 /nfs/dbraw/zinc/25/33/99/643253399.db2.gz HUJATKLZKMWOHY-LBPRGKRZSA-N 1 2 384.889 2.000 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000107302632 643253401 /nfs/dbraw/zinc/25/34/01/643253401.db2.gz HUJATKLZKMWOHY-LBPRGKRZSA-N 1 2 384.889 2.000 20 0 GEADLO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1sccc1S(=O)(=O)C(F)F ZINC000108278937 643269923 /nfs/dbraw/zinc/26/99/23/643269923.db2.gz JENGZDPKBNWRBQ-JTQLQIEISA-N 1 2 378.466 2.491 20 0 GEADLO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1sccc1S(=O)(=O)C(F)F ZINC000108278937 643269927 /nfs/dbraw/zinc/26/99/27/643269927.db2.gz JENGZDPKBNWRBQ-JTQLQIEISA-N 1 2 378.466 2.491 20 0 GEADLO COCC[NH+]1CCN(C(=O)CSCc2cc(-c3cccs3)on2)CC1 ZINC000496014711 650828095 /nfs/dbraw/zinc/82/80/95/650828095.db2.gz QJULRRKHGXZBPR-UHFFFAOYSA-N 1 2 381.523 2.427 20 0 GEADLO Cc1cc(OC[C@@H](O)C[N@@H+]2CCSC[C@H]2C(N)=O)c(C(C)C)cc1Cl ZINC000538037115 650828251 /nfs/dbraw/zinc/82/82/51/650828251.db2.gz HRGLJXYYLGKDHC-BBRMVZONSA-N 1 2 386.945 2.414 20 0 GEADLO Cc1cc(OC[C@@H](O)C[N@H+]2CCSC[C@H]2C(N)=O)c(C(C)C)cc1Cl ZINC000538037115 650828254 /nfs/dbraw/zinc/82/82/54/650828254.db2.gz HRGLJXYYLGKDHC-BBRMVZONSA-N 1 2 386.945 2.414 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccc(OC(F)F)cc2)C[C@H]2CCCO2)C1 ZINC000109762344 643300999 /nfs/dbraw/zinc/30/09/99/643300999.db2.gz ARVPRHNQGIILAZ-GDBMZVCRSA-N 1 2 375.437 2.456 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccc(OC(F)F)cc2)C[C@H]2CCCO2)C1 ZINC000109762344 643301002 /nfs/dbraw/zinc/30/10/02/643301002.db2.gz ARVPRHNQGIILAZ-GDBMZVCRSA-N 1 2 375.437 2.456 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000496987310 650831686 /nfs/dbraw/zinc/83/16/86/650831686.db2.gz GFYRQHIRCVDART-KFWWJZLASA-N 1 2 392.253 2.176 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000496987310 650831688 /nfs/dbraw/zinc/83/16/88/650831688.db2.gz GFYRQHIRCVDART-KFWWJZLASA-N 1 2 392.253 2.176 20 0 GEADLO C[C@@H](CSc1ccccc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000110846016 643321010 /nfs/dbraw/zinc/32/10/10/643321010.db2.gz IHACBRBAGUXVPS-HNNXBMFYSA-N 1 2 384.567 2.040 20 0 GEADLO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000111264152 643330858 /nfs/dbraw/zinc/33/08/58/643330858.db2.gz ZCOULHKVVTZQGU-SNVBAGLBSA-N 1 2 388.693 2.499 20 0 GEADLO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000111264152 643330865 /nfs/dbraw/zinc/33/08/65/643330865.db2.gz ZCOULHKVVTZQGU-SNVBAGLBSA-N 1 2 388.693 2.499 20 0 GEADLO COc1ccc(NC(=O)C[N@H+](CCO)CCOCC(F)(F)F)cc1Cl ZINC000112982604 643379112 /nfs/dbraw/zinc/37/91/12/643379112.db2.gz FAMCILCCXITROI-UHFFFAOYSA-N 1 2 384.782 2.160 20 0 GEADLO COc1ccc(NC(=O)C[N@@H+](CCO)CCOCC(F)(F)F)cc1Cl ZINC000112982604 643379113 /nfs/dbraw/zinc/37/91/13/643379113.db2.gz FAMCILCCXITROI-UHFFFAOYSA-N 1 2 384.782 2.160 20 0 GEADLO O=C(Cc1ccc(Br)s1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000114328693 643413547 /nfs/dbraw/zinc/41/35/47/643413547.db2.gz KKAXKERWFBCZFM-UHFFFAOYSA-N 1 2 399.314 2.221 20 0 GEADLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000117106917 643484286 /nfs/dbraw/zinc/48/42/86/643484286.db2.gz VFFMDPCOLNQCGA-UHFFFAOYSA-N 1 2 398.859 2.019 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(OC)ccc2Cl)CC[N@@H+]1CCOC ZINC000117371869 643489906 /nfs/dbraw/zinc/48/99/06/643489906.db2.gz DREBDMUZHJTWIQ-CYBMUJFWSA-N 1 2 376.906 2.080 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(OC)ccc2Cl)CC[N@H+]1CCOC ZINC000117371869 643489911 /nfs/dbraw/zinc/48/99/11/643489911.db2.gz DREBDMUZHJTWIQ-CYBMUJFWSA-N 1 2 376.906 2.080 20 0 GEADLO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000119389353 643550140 /nfs/dbraw/zinc/55/01/40/643550140.db2.gz AVVDDNQKKLQRSC-UHFFFAOYSA-N 1 2 390.571 2.141 20 0 GEADLO COc1ccc(Br)c(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000539913338 650853367 /nfs/dbraw/zinc/85/33/67/650853367.db2.gz NYQPASQHKOTMLB-CQSZACIVSA-N 1 2 391.331 2.360 20 0 GEADLO COc1ccc(Br)c(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000539913338 650853371 /nfs/dbraw/zinc/85/33/71/650853371.db2.gz NYQPASQHKOTMLB-CQSZACIVSA-N 1 2 391.331 2.360 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000539950510 650854944 /nfs/dbraw/zinc/85/49/44/650854944.db2.gz IEOOSKQJLKLQBL-NWDGAFQWSA-N 1 2 391.331 2.479 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000539950510 650854946 /nfs/dbraw/zinc/85/49/46/650854946.db2.gz IEOOSKQJLKLQBL-NWDGAFQWSA-N 1 2 391.331 2.479 20 0 GEADLO NC(=O)C1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000125174716 643701711 /nfs/dbraw/zinc/70/17/11/643701711.db2.gz NSGXJAGAKRBZMU-MRXNPFEDSA-N 1 2 394.313 2.310 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)CSc2nncs2)c2ccc(Cl)cc2)C1 ZINC000126728508 643744234 /nfs/dbraw/zinc/74/42/34/643744234.db2.gz PUMDLXHKNQQIHA-DZGCQCFKSA-N 1 2 398.941 2.472 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)CSc2nncs2)c2ccc(Cl)cc2)C1 ZINC000126728508 643744239 /nfs/dbraw/zinc/74/42/39/643744239.db2.gz PUMDLXHKNQQIHA-DZGCQCFKSA-N 1 2 398.941 2.472 20 0 GEADLO COCC[N@H+]1[C@H](C)CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1C ZINC000129581088 643823143 /nfs/dbraw/zinc/82/31/43/643823143.db2.gz KGXOWAMLJRZTSQ-OKILXGFUSA-N 1 2 376.469 2.224 20 0 GEADLO COCC[N@@H+]1[C@H](C)CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1C ZINC000129581088 643823146 /nfs/dbraw/zinc/82/31/46/643823146.db2.gz KGXOWAMLJRZTSQ-OKILXGFUSA-N 1 2 376.469 2.224 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000499089853 650873638 /nfs/dbraw/zinc/87/36/38/650873638.db2.gz DEMUHDCNAAEROL-ZIAGYGMSSA-N 1 2 387.933 2.238 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000499089853 650873641 /nfs/dbraw/zinc/87/36/41/650873641.db2.gz DEMUHDCNAAEROL-ZIAGYGMSSA-N 1 2 387.933 2.238 20 0 GEADLO CC[NH+]1CCN(CC(=O)Nc2cc(Cl)cc(Br)c2O)CC1 ZINC000151351113 643938694 /nfs/dbraw/zinc/93/86/94/643938694.db2.gz VUOSATJNGOEHSB-UHFFFAOYSA-N 1 2 376.682 2.384 20 0 GEADLO COC(=O)c1cn(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nn1 ZINC000151559744 643945670 /nfs/dbraw/zinc/94/56/70/643945670.db2.gz HWRCJWVITWLVMK-SECBINFHSA-N 1 2 375.376 2.377 20 0 GEADLO COC(=O)c1cn(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nn1 ZINC000151559744 643945674 /nfs/dbraw/zinc/94/56/74/643945674.db2.gz HWRCJWVITWLVMK-SECBINFHSA-N 1 2 375.376 2.377 20 0 GEADLO C[C@H](CNC(=O)NC1(c2cccc(Br)c2)CC1)[NH+]1CCOCC1 ZINC000153468397 643988018 /nfs/dbraw/zinc/98/80/18/643988018.db2.gz HNLRYPAFJWUJGG-CYBMUJFWSA-N 1 2 382.302 2.458 20 0 GEADLO Cc1ccsc1-c1nnc(NC(=O)C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)o1 ZINC000153578301 643994414 /nfs/dbraw/zinc/99/44/14/643994414.db2.gz NQIOCNHEXFKPLI-NWDGAFQWSA-N 1 2 380.495 2.251 20 0 GEADLO Cc1ccsc1-c1nnc(NC(=O)C[N@H+]2CCS[C@@H]3COCC[C@@H]32)o1 ZINC000153578301 643994420 /nfs/dbraw/zinc/99/44/20/643994420.db2.gz NQIOCNHEXFKPLI-NWDGAFQWSA-N 1 2 380.495 2.251 20 0 GEADLO CO[C@@H](C)CSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000542006033 650885606 /nfs/dbraw/zinc/88/56/06/650885606.db2.gz WRIYTJCXDUILCQ-ZDUSSCGKSA-N 1 2 383.539 2.307 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)COc1ccc(I)cc1 ZINC000155106294 644064642 /nfs/dbraw/zinc/06/46/42/644064642.db2.gz NUKIMYBXWANLAM-UHFFFAOYSA-N 1 2 399.232 2.415 20 0 GEADLO COC(=O)NCCC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000156422318 644095752 /nfs/dbraw/zinc/09/57/52/644095752.db2.gz TWPMCUUQDULEPB-UHFFFAOYSA-N 1 2 388.295 2.426 20 0 GEADLO CS(=O)(=O)CC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C1CC1 ZINC000156512823 644100196 /nfs/dbraw/zinc/10/01/96/644100196.db2.gz KSCRTEGYTHSLEC-CYBMUJFWSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)CC[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C1CC1 ZINC000156512823 644100208 /nfs/dbraw/zinc/10/02/08/644100208.db2.gz KSCRTEGYTHSLEC-CYBMUJFWSA-N 1 2 382.309 2.242 20 0 GEADLO Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000156817264 644119006 /nfs/dbraw/zinc/11/90/06/644119006.db2.gz BMSGWUHOJQQXOU-DZGCQCFKSA-N 1 2 381.274 2.154 20 0 GEADLO Cn1cnnc1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000156817264 644119012 /nfs/dbraw/zinc/11/90/12/644119012.db2.gz BMSGWUHOJQQXOU-DZGCQCFKSA-N 1 2 381.274 2.154 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC2(C1)OCCO2 ZINC000160709135 644204287 /nfs/dbraw/zinc/20/42/87/644204287.db2.gz OLUVBVYNDALNDW-ZDUSSCGKSA-N 1 2 383.286 2.245 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC2(C1)OCCO2 ZINC000160709135 644204290 /nfs/dbraw/zinc/20/42/90/644204290.db2.gz OLUVBVYNDALNDW-ZDUSSCGKSA-N 1 2 383.286 2.245 20 0 GEADLO O=S(=O)(c1cccc(Br)c1F)N1CC[NH+](CC2CC2)CC1 ZINC000543103306 650899616 /nfs/dbraw/zinc/89/96/16/650899616.db2.gz MBQWMDNEFQVFSX-UHFFFAOYSA-N 1 2 377.279 2.305 20 0 GEADLO OC[C@@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccc(Br)cc1 ZINC000543236653 650904629 /nfs/dbraw/zinc/90/46/29/650904629.db2.gz VOHZTQFVEJKHKE-QGZVFWFLSA-N 1 2 388.269 2.307 20 0 GEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CSc3nncs3)CC2)cc1 ZINC000174188656 644371477 /nfs/dbraw/zinc/37/14/77/644371477.db2.gz HDQQRAQOMPJZRF-UHFFFAOYSA-N 1 2 377.539 2.481 20 0 GEADLO COCCN(CC[NH+](C)C)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000543655969 650917327 /nfs/dbraw/zinc/91/73/27/650917327.db2.gz JXWDVQWVSVOBKT-UHFFFAOYSA-N 1 2 383.905 2.322 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(F)c(Cl)c1)[NH+]1CCOCC1 ZINC000178939293 644445970 /nfs/dbraw/zinc/44/59/70/644445970.db2.gz IZCMSYWHFSNSDG-MRXNPFEDSA-N 1 2 378.897 2.255 20 0 GEADLO C/C(=C\c1cccc(Cl)c1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000179372751 644458356 /nfs/dbraw/zinc/45/83/56/644458356.db2.gz OZDPHVLQWXMVLD-WYMLVPIESA-N 1 2 384.929 2.369 20 0 GEADLO O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)[C@H]1COCC[NH2+]1 ZINC000180120787 644489638 /nfs/dbraw/zinc/48/96/38/644489638.db2.gz QPRNWQKHWHMJAZ-CYBMUJFWSA-N 1 2 382.283 2.423 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1Br ZINC000180133324 644491002 /nfs/dbraw/zinc/49/10/02/644491002.db2.gz GOCFFSNQTAJBBH-UHFFFAOYSA-N 1 2 386.271 2.217 20 0 GEADLO Cn1ccnc(N2CC[NH+](CCCc3ccccc3Br)CC2)c1=O ZINC000544141521 650935831 /nfs/dbraw/zinc/93/58/31/650935831.db2.gz CXVHBXMMVWUGES-UHFFFAOYSA-N 1 2 391.313 2.298 20 0 GEADLO CS[C@H](CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(C)(C)C ZINC000544138423 650935854 /nfs/dbraw/zinc/93/58/54/650935854.db2.gz LLZUYHIIMLPFBD-PBHICJAKSA-N 1 2 375.604 2.271 20 0 GEADLO COC(=O)[C@@H](C)CC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544774926 650953251 /nfs/dbraw/zinc/95/32/51/650953251.db2.gz JVIWCGLVSQKEEX-NSHDSACASA-N 1 2 382.258 2.263 20 0 GEADLO CN1CC[N@H+](C)C[C@@H]1c1noc(COc2ccc(F)cc2Br)n1 ZINC000545085071 650961153 /nfs/dbraw/zinc/96/11/53/650961153.db2.gz DNRHFVNRZIZLRI-GFCCVEGCSA-N 1 2 385.237 2.469 20 0 GEADLO CN1CC[N@@H+](C)C[C@@H]1c1noc(COc2ccc(F)cc2Br)n1 ZINC000545085071 650961159 /nfs/dbraw/zinc/96/11/59/650961159.db2.gz DNRHFVNRZIZLRI-GFCCVEGCSA-N 1 2 385.237 2.469 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NNc1ccc(Br)c(F)c1)[NH+]1CCOCC1 ZINC000185355593 645042883 /nfs/dbraw/zinc/04/28/83/645042883.db2.gz BRJQKKPDOCSNJV-WDEREUQCSA-N 1 2 389.269 2.324 20 0 GEADLO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)cc(F)c1O ZINC000186166846 645061968 /nfs/dbraw/zinc/06/19/68/645061968.db2.gz FDCDEYHVRUMGAR-UWVGGRQHSA-N 1 2 395.294 2.226 20 0 GEADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000186379214 645065950 /nfs/dbraw/zinc/06/59/50/645065950.db2.gz WJRGTZDOWZNKEA-CQSZACIVSA-N 1 2 382.258 2.183 20 0 GEADLO CC[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000187198054 645085244 /nfs/dbraw/zinc/08/52/44/645085244.db2.gz HOSBBQAPOXMNGM-RISCZKNCSA-N 1 2 380.279 2.131 20 0 GEADLO CC[N@@H+](C[C@H](O)c1ccc(F)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000187198054 645085252 /nfs/dbraw/zinc/08/52/52/645085252.db2.gz HOSBBQAPOXMNGM-RISCZKNCSA-N 1 2 380.279 2.131 20 0 GEADLO C[C@H]1CCCC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000187928744 645100983 /nfs/dbraw/zinc/10/09/83/645100983.db2.gz BMYXXVOFOBNEIU-JKSUJKDBSA-N 1 2 384.567 2.386 20 0 GEADLO C[C@H]1CCCC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000187928744 645100989 /nfs/dbraw/zinc/10/09/89/645100989.db2.gz BMYXXVOFOBNEIU-JKSUJKDBSA-N 1 2 384.567 2.386 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl)C[NH+]1CCN(C)CC1 ZINC000188053738 645105253 /nfs/dbraw/zinc/10/52/53/645105253.db2.gz WPGFTZXMHXBNBA-NSHDSACASA-N 1 2 398.331 2.294 20 0 GEADLO Cc1cc(Br)ccc1SCC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188785540 645125068 /nfs/dbraw/zinc/12/50/68/645125068.db2.gz ZLIZAVAYQFJFLP-ZDUSSCGKSA-N 1 2 387.343 2.375 20 0 GEADLO Cc1cc(Br)ccc1SCC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188785540 645125073 /nfs/dbraw/zinc/12/50/73/645125073.db2.gz ZLIZAVAYQFJFLP-ZDUSSCGKSA-N 1 2 387.343 2.375 20 0 GEADLO Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c(Cl)n1 ZINC000189759939 645141040 /nfs/dbraw/zinc/14/10/40/645141040.db2.gz JDQZLHHJCZNYJJ-UHFFFAOYSA-N 1 2 375.922 2.022 20 0 GEADLO COc1ccc(Br)c(NC(=O)C(=O)NNc2cc(C)cc[nH+]2)c1 ZINC000190049375 645147314 /nfs/dbraw/zinc/14/73/14/645147314.db2.gz AJYGTFCNNOKZBY-UHFFFAOYSA-N 1 2 379.214 2.243 20 0 GEADLO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)c1nnnn1C1CC1 ZINC000191469997 645176804 /nfs/dbraw/zinc/17/68/04/645176804.db2.gz KUQBFFGLLUYISU-LLVKDONJSA-N 1 2 393.289 2.080 20 0 GEADLO CCOC1CC(CNC(=O)NCc2ccc(Cl)s2)([NH+]2CCOCC2)C1 ZINC000192459727 645207782 /nfs/dbraw/zinc/20/77/82/645207782.db2.gz NUHGZPNZMCXYBD-UHFFFAOYSA-N 1 2 387.933 2.471 20 0 GEADLO CCn1ncnc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000193416841 645270867 /nfs/dbraw/zinc/27/08/67/645270867.db2.gz DKTGOQARIOSJKU-GFCCVEGCSA-N 1 2 393.289 2.306 20 0 GEADLO CCn1ncnc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000193416841 645270873 /nfs/dbraw/zinc/27/08/73/645270873.db2.gz DKTGOQARIOSJKU-GFCCVEGCSA-N 1 2 393.289 2.306 20 0 GEADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(Br)s2)C1 ZINC000193777461 645298101 /nfs/dbraw/zinc/29/81/01/645298101.db2.gz AEKIVEFZXOZZNB-LBPRGKRZSA-N 1 2 388.331 2.070 20 0 GEADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(Br)s2)C1 ZINC000193777461 645298107 /nfs/dbraw/zinc/29/81/07/645298107.db2.gz AEKIVEFZXOZZNB-LBPRGKRZSA-N 1 2 388.331 2.070 20 0 GEADLO CN1CC[N@H+](C)C[C@@H]1c1noc(Cc2cccc(I)c2)n1 ZINC000546501268 651001032 /nfs/dbraw/zinc/00/10/32/651001032.db2.gz RZCQNWBNRIOFAX-CYBMUJFWSA-N 1 2 398.248 2.183 20 0 GEADLO CN1CC[N@@H+](C)C[C@@H]1c1noc(Cc2cccc(I)c2)n1 ZINC000546501268 651001036 /nfs/dbraw/zinc/00/10/36/651001036.db2.gz RZCQNWBNRIOFAX-CYBMUJFWSA-N 1 2 398.248 2.183 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC000194447501 645328231 /nfs/dbraw/zinc/32/82/31/645328231.db2.gz LTALCBKBWHZBRM-UHFFFAOYSA-N 1 2 393.285 2.243 20 0 GEADLO O=C(/C=C/c1ccc(Cl)s1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000194641194 645339377 /nfs/dbraw/zinc/33/93/77/645339377.db2.gz OKGNJCZUSGBGPS-HWKANZROSA-N 1 2 377.901 2.143 20 0 GEADLO CC[N@@H+]1CC[C@H](NC(=O)CN2CSCC2=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245624479 645462519 /nfs/dbraw/zinc/46/25/19/645462519.db2.gz XWUCDUIVFBVTIH-WMLDXEAASA-N 1 2 385.892 2.264 20 0 GEADLO CC[N@H+]1CC[C@H](NC(=O)CN2CSCC2=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245624479 645462522 /nfs/dbraw/zinc/46/25/22/645462522.db2.gz XWUCDUIVFBVTIH-WMLDXEAASA-N 1 2 385.892 2.264 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C[C@H](C)O ZINC000245778907 645468785 /nfs/dbraw/zinc/46/87/85/645468785.db2.gz BPZZFVRMGJVXSB-JSGCOSHPSA-N 1 2 380.432 2.171 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[N@H+]1C[C@H](C)O ZINC000245778907 645468789 /nfs/dbraw/zinc/46/87/89/645468789.db2.gz BPZZFVRMGJVXSB-JSGCOSHPSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@@H](NC(=O)[C@H](C)Oc1cccc(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000246603785 645486686 /nfs/dbraw/zinc/48/66/86/645486686.db2.gz BOZIMULBMRKPPJ-RDBSUJKOSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C ZINC000252692572 645566917 /nfs/dbraw/zinc/56/69/17/645566917.db2.gz DBLHJNMHHRUVEN-QWRGUYRKSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C ZINC000252692572 645566921 /nfs/dbraw/zinc/56/69/21/645566921.db2.gz DBLHJNMHHRUVEN-QWRGUYRKSA-N 1 2 398.859 2.017 20 0 GEADLO Cc1cc(Br)ccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261621201 645590882 /nfs/dbraw/zinc/59/08/82/645590882.db2.gz DGJSFOUMYFYIIS-HNNXBMFYSA-N 1 2 396.310 2.488 20 0 GEADLO O=S(=O)(c1cccc2nonc21)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261695767 645594676 /nfs/dbraw/zinc/59/46/76/645594676.db2.gz KYAIHVUAHZCBDH-AWEZNQCLSA-N 1 2 378.841 2.211 20 0 GEADLO C[C@H]1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC[NH2+]1 ZINC000262323398 645627210 /nfs/dbraw/zinc/62/72/10/645627210.db2.gz CVNDQHCYNBVBCB-RYUDHWBXSA-N 1 2 380.495 2.271 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2csc(-c3cccc(OC)c3)n2)CC1 ZINC000264731554 645708472 /nfs/dbraw/zinc/70/84/72/645708472.db2.gz PXFSDCVLEPEXCP-UHFFFAOYSA-N 1 2 381.523 2.332 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000266759695 645862662 /nfs/dbraw/zinc/86/26/62/645862662.db2.gz SOPRCBPJTPZACW-AWEZNQCLSA-N 1 2 387.885 2.157 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000266759695 645862664 /nfs/dbraw/zinc/86/26/64/645862664.db2.gz SOPRCBPJTPZACW-AWEZNQCLSA-N 1 2 387.885 2.157 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000267228894 645889977 /nfs/dbraw/zinc/88/99/77/645889977.db2.gz AEOCHCUZJKRYEU-UHFFFAOYSA-N 1 2 383.857 2.384 20 0 GEADLO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547982702 651059585 /nfs/dbraw/zinc/05/95/85/651059585.db2.gz ZJMWCXVHLKJVFM-BXUZGUMPSA-N 1 2 376.869 2.471 20 0 GEADLO CCC[N@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)CC(C)(C)O ZINC000268521697 645973310 /nfs/dbraw/zinc/97/33/10/645973310.db2.gz GACWYFKQZWJBEL-UHFFFAOYSA-N 1 2 378.441 2.104 20 0 GEADLO CCC[N@@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)CC(C)(C)O ZINC000268521697 645973312 /nfs/dbraw/zinc/97/33/12/645973312.db2.gz GACWYFKQZWJBEL-UHFFFAOYSA-N 1 2 378.441 2.104 20 0 GEADLO COc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1I ZINC000268662010 645985177 /nfs/dbraw/zinc/98/51/77/645985177.db2.gz YOORPTQARBYVHK-SNVBAGLBSA-N 1 2 385.205 2.315 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N(CCS(C)(=O)=O)C1CC1)c1ccsc1 ZINC000269985090 646080195 /nfs/dbraw/zinc/08/01/95/646080195.db2.gz QAMHEQGPMLZWCF-INIZCTEOSA-N 1 2 387.571 2.350 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+](CC)CCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000270672182 646127464 /nfs/dbraw/zinc/12/74/64/646127464.db2.gz ALDZZWJQMNBVKN-HOTGVXAUSA-N 1 2 386.583 2.427 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+](CC)CCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000270672182 646127467 /nfs/dbraw/zinc/12/74/67/646127467.db2.gz ALDZZWJQMNBVKN-HOTGVXAUSA-N 1 2 386.583 2.427 20 0 GEADLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000270975952 646160335 /nfs/dbraw/zinc/16/03/35/646160335.db2.gz WUSVQHJSVMQFTF-JTQLQIEISA-N 1 2 381.230 2.289 20 0 GEADLO O=C1CCCN1[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000270975952 646160343 /nfs/dbraw/zinc/16/03/43/646160343.db2.gz WUSVQHJSVMQFTF-JTQLQIEISA-N 1 2 381.230 2.289 20 0 GEADLO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1cscn1 ZINC000271123934 646176227 /nfs/dbraw/zinc/17/62/27/646176227.db2.gz KBUJOPWCRHWWLK-UKRRQHHQSA-N 1 2 381.523 2.451 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000272084020 646253496 /nfs/dbraw/zinc/25/34/96/646253496.db2.gz HVMVQOFCDVTYFW-ZDUSSCGKSA-N 1 2 387.860 2.412 20 0 GEADLO COc1cc(Br)c(C[NH+]2CCC(N3CCNC3=O)CC2)cc1O ZINC000272337439 646267166 /nfs/dbraw/zinc/26/71/66/646267166.db2.gz XUQFRSFJCDRGOU-UHFFFAOYSA-N 1 2 384.274 2.153 20 0 GEADLO COc1c(O)cccc1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000272331401 646267259 /nfs/dbraw/zinc/26/72/59/646267259.db2.gz WOMCJJOJVWHZPQ-UHFFFAOYSA-N 1 2 382.507 2.405 20 0 GEADLO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)[C@H]2C1 ZINC000272553301 646277446 /nfs/dbraw/zinc/27/74/46/646277446.db2.gz DDXZGDHUQLDVKS-FZMZJTMJSA-N 1 2 376.400 2.146 20 0 GEADLO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)[C@H]2C1 ZINC000272553301 646277457 /nfs/dbraw/zinc/27/74/57/646277457.db2.gz DDXZGDHUQLDVKS-FZMZJTMJSA-N 1 2 376.400 2.146 20 0 GEADLO CCCNC(=O)CCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273353681 646312166 /nfs/dbraw/zinc/31/21/66/646312166.db2.gz YZKUBVIBUNNEFP-UHFFFAOYSA-N 1 2 395.301 2.370 20 0 GEADLO COc1c(Br)cccc1C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000274930997 646334685 /nfs/dbraw/zinc/33/46/85/646334685.db2.gz XTIQURWQULAHID-GFCCVEGCSA-N 1 2 391.331 2.219 20 0 GEADLO COc1c(Br)cccc1C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000274930997 646334691 /nfs/dbraw/zinc/33/46/91/646334691.db2.gz XTIQURWQULAHID-GFCCVEGCSA-N 1 2 391.331 2.219 20 0 GEADLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1ccc(I)cc1 ZINC000275202659 646347652 /nfs/dbraw/zinc/34/76/52/646347652.db2.gz QRIWWCLWCKDKJD-UWVGGRQHSA-N 1 2 399.236 2.098 20 0 GEADLO CCS(=O)(=O)c1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000277720959 646466258 /nfs/dbraw/zinc/46/62/58/646466258.db2.gz HVXMMJKHHOEYGX-UHFFFAOYSA-N 1 2 378.523 2.436 20 0 GEADLO CCS(=O)(=O)c1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000277720959 646466263 /nfs/dbraw/zinc/46/62/63/646466263.db2.gz HVXMMJKHHOEYGX-UHFFFAOYSA-N 1 2 378.523 2.436 20 0 GEADLO Cn1ncc(Br)c1C[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000278300381 646511890 /nfs/dbraw/zinc/51/18/90/646511890.db2.gz CDJOKWQEJFYPIX-UHFFFAOYSA-N 1 2 392.706 2.400 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000278442481 646519606 /nfs/dbraw/zinc/51/96/06/646519606.db2.gz WKLQUBJIVALLTN-VXGBXAGGSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000278442481 646519614 /nfs/dbraw/zinc/51/96/14/646519614.db2.gz WKLQUBJIVALLTN-VXGBXAGGSA-N 1 2 376.266 2.359 20 0 GEADLO COc1ccc(CN2CC[C@@H]([NH2+]Cc3c(Br)cnn3C)C2=O)cc1 ZINC000278479018 646523988 /nfs/dbraw/zinc/52/39/88/646523988.db2.gz KIRYUDNSLQEKKJ-OAHLLOKOSA-N 1 2 393.285 2.082 20 0 GEADLO CC[C@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000278614411 646531113 /nfs/dbraw/zinc/53/11/13/646531113.db2.gz MSKDMTVWFJTZFY-AWEZNQCLSA-N 1 2 383.905 2.084 20 0 GEADLO Cc1nc(N2CCN(C(=O)Nc3cc(Br)ccn3)CC2)cc[nH+]1 ZINC000278627956 646532770 /nfs/dbraw/zinc/53/27/70/646532770.db2.gz NYWKVVPZYMJODT-UHFFFAOYSA-N 1 2 377.246 2.297 20 0 GEADLO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1nc(C(F)(F)F)cs1 ZINC000279005051 646570700 /nfs/dbraw/zinc/57/07/00/646570700.db2.gz UGVVZLZXVGFGFB-MRVPVSSYSA-N 1 2 376.360 2.432 20 0 GEADLO Cc1nn(C)c(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1Br ZINC000279218618 646584791 /nfs/dbraw/zinc/58/47/91/646584791.db2.gz XAMAAWQDQJRCKU-UHFFFAOYSA-N 1 2 380.290 2.012 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(O)c(Br)c1 ZINC000279348921 646593797 /nfs/dbraw/zinc/59/37/97/646593797.db2.gz CKNJRMMDLFZZAO-GFCCVEGCSA-N 1 2 386.290 2.017 20 0 GEADLO C[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(Br)cn1 ZINC000280454315 646683658 /nfs/dbraw/zinc/68/36/58/646683658.db2.gz GMJDWSNFNTZILG-QWHCGFSZSA-N 1 2 385.306 2.267 20 0 GEADLO O=C(C[C@@H]1CSCCS1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280589549 646696516 /nfs/dbraw/zinc/69/65/16/646696516.db2.gz BDZIWYFUEWBITO-KURKYZTESA-N 1 2 378.563 2.337 20 0 GEADLO O=C(C[C@@H]1CSCCS1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280589549 646696519 /nfs/dbraw/zinc/69/65/19/646696519.db2.gz BDZIWYFUEWBITO-KURKYZTESA-N 1 2 378.563 2.337 20 0 GEADLO Cc1ccc(F)c(NC(=O)C(=O)NCCCn2cc[nH+]c2)c1Br ZINC000280836023 646723011 /nfs/dbraw/zinc/72/30/11/646723011.db2.gz WNJXTHWOPNSFCQ-UHFFFAOYSA-N 1 2 383.221 2.238 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000281197156 646753382 /nfs/dbraw/zinc/75/33/82/646753382.db2.gz ISMVPVFPLREBEE-UHFFFAOYSA-N 1 2 382.302 2.103 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000281197156 646753384 /nfs/dbraw/zinc/75/33/84/646753384.db2.gz ISMVPVFPLREBEE-UHFFFAOYSA-N 1 2 382.302 2.103 20 0 GEADLO CNC(=O)C[NH+]1CCC(NCc2c(F)ccc(Br)c2F)CC1 ZINC000281933397 646804562 /nfs/dbraw/zinc/80/45/62/646804562.db2.gz HNBZPPJWBXTLDZ-UHFFFAOYSA-N 1 2 376.245 2.027 20 0 GEADLO O=C(Nc1cc(F)c(Br)cc1Cl)N1CC[NH+](CCO)CC1 ZINC000281969472 646807163 /nfs/dbraw/zinc/80/71/63/646807163.db2.gz NVSPBIUNVAOFJW-UHFFFAOYSA-N 1 2 380.645 2.383 20 0 GEADLO O=S(=O)(C1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1)N1CCCC1 ZINC000282017432 646810559 /nfs/dbraw/zinc/81/05/59/646810559.db2.gz DWINABKDANVAIG-UHFFFAOYSA-N 1 2 382.917 2.378 20 0 GEADLO NC(=O)[C@H]1CCC[N@H+](Cc2c(Br)cncc2Br)C1 ZINC000284051481 646831253 /nfs/dbraw/zinc/83/12/53/646831253.db2.gz MGHUALQGTVEKAN-QMMMGPOBSA-N 1 2 377.080 2.304 20 0 GEADLO NC(=O)[C@H]1CCC[N@@H+](Cc2c(Br)cncc2Br)C1 ZINC000284051481 646831258 /nfs/dbraw/zinc/83/12/58/646831258.db2.gz MGHUALQGTVEKAN-QMMMGPOBSA-N 1 2 377.080 2.304 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000285592034 646857542 /nfs/dbraw/zinc/85/75/42/646857542.db2.gz XPRDKFKBTRCROZ-UHFFFAOYSA-N 1 2 384.889 2.151 20 0 GEADLO COC(=O)[C@@H]1CC[C@@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000285984800 646863343 /nfs/dbraw/zinc/86/33/43/646863343.db2.gz FZUMVAQDXYOFSD-UONOGXRCSA-N 1 2 394.269 2.263 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)NCCOc1ccc(I)cc1 ZINC000287932133 646901784 /nfs/dbraw/zinc/90/17/84/646901784.db2.gz RTZIRFTUXINVIW-UHFFFAOYSA-N 1 2 385.205 2.142 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000291771795 647179450 /nfs/dbraw/zinc/17/94/50/647179450.db2.gz VWESYIPLQJUMIZ-GFCCVEGCSA-N 1 2 398.472 2.500 20 0 GEADLO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)s1 ZINC000292329807 647188942 /nfs/dbraw/zinc/18/89/42/647188942.db2.gz XBVPOPKZRSHRSY-HNNXBMFYSA-N 1 2 383.543 2.364 20 0 GEADLO O=c1c(Br)c(NCCCn2cc[nH+]c2)cnn1CC(F)(F)F ZINC000317876073 647285760 /nfs/dbraw/zinc/28/57/60/647285760.db2.gz NOKIAYHHVSDDFD-UHFFFAOYSA-N 1 2 380.168 2.267 20 0 GEADLO O=C(c1cc(Cl)ncc1Br)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000320652126 647291849 /nfs/dbraw/zinc/29/18/49/647291849.db2.gz WTDIPOSNWQOJJI-LLVKDONJSA-N 1 2 388.693 2.434 20 0 GEADLO COc1ccc(S(=O)(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1Cl ZINC000331018014 647362518 /nfs/dbraw/zinc/36/25/18/647362518.db2.gz PYXQKUWROGRUGR-UHFFFAOYSA-N 1 2 389.949 2.043 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(OC)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000331217388 647372553 /nfs/dbraw/zinc/37/25/53/647372553.db2.gz QMOPLQAEMAMFPR-UONOGXRCSA-N 1 2 390.933 2.123 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(OC)cc2C)CC[N@H+]1C[C@H](C)O ZINC000331217388 647372561 /nfs/dbraw/zinc/37/25/61/647372561.db2.gz QMOPLQAEMAMFPR-UONOGXRCSA-N 1 2 390.933 2.123 20 0 GEADLO COc1ccc(Br)c(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000332317739 647431892 /nfs/dbraw/zinc/43/18/92/647431892.db2.gz KSLLVSWYTSHJAV-CQSZACIVSA-N 1 2 398.301 2.074 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000360640076 647559111 /nfs/dbraw/zinc/55/91/11/647559111.db2.gz WPRBBMOJOMDOEN-UONOGXRCSA-N 1 2 379.309 2.213 20 0 GEADLO Cn1cc(Br)cc(NC(=O)C[N@@H+]2CCc3sccc3C2)c1=O ZINC000362839872 647574465 /nfs/dbraw/zinc/57/44/65/647574465.db2.gz NXCLETNPFWGVIW-UHFFFAOYSA-N 1 2 382.283 2.206 20 0 GEADLO Cn1cc(Br)cc(NC(=O)C[N@H+]2CCc3sccc3C2)c1=O ZINC000362839872 647574467 /nfs/dbraw/zinc/57/44/67/647574467.db2.gz NXCLETNPFWGVIW-UHFFFAOYSA-N 1 2 382.283 2.206 20 0 GEADLO O=C(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)Nc1ccc(Br)cn1 ZINC000362997624 647578179 /nfs/dbraw/zinc/57/81/79/647578179.db2.gz NBKJMWZQNAUNTN-AWEZNQCLSA-N 1 2 395.301 2.260 20 0 GEADLO O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)Nc1ccc(Br)cn1 ZINC000362997624 647578185 /nfs/dbraw/zinc/57/81/85/647578185.db2.gz NBKJMWZQNAUNTN-AWEZNQCLSA-N 1 2 395.301 2.260 20 0 GEADLO CN(C)c1nc2sc(C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2s1 ZINC000363027774 647579635 /nfs/dbraw/zinc/57/96/35/647579635.db2.gz HMDJLURFWGWWLG-NWDGAFQWSA-N 1 2 380.539 2.095 20 0 GEADLO Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000363023872 647579704 /nfs/dbraw/zinc/57/97/04/647579704.db2.gz WFEQRYDCZXCRKA-ZDUSSCGKSA-N 1 2 378.523 2.480 20 0 GEADLO Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000363023872 647579709 /nfs/dbraw/zinc/57/97/09/647579709.db2.gz WFEQRYDCZXCRKA-ZDUSSCGKSA-N 1 2 378.523 2.480 20 0 GEADLO O=C(Cc1ccccc1Br)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000363085134 647583864 /nfs/dbraw/zinc/58/38/64/647583864.db2.gz SHTZFPLCLCXTHN-KRWDZBQOSA-N 1 2 399.354 2.316 20 0 GEADLO O=C(CSc1n[nH]c(=S)s1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000363115510 647585570 /nfs/dbraw/zinc/58/55/70/647585570.db2.gz ZZVWZWMMSIDTPH-UHFFFAOYSA-N 1 2 388.584 2.070 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1C[C@H](c2ccsc2)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000363259750 647589722 /nfs/dbraw/zinc/58/97/22/647589722.db2.gz QKRLSEFZCZDKOX-WTTBNOFXSA-N 1 2 384.567 2.350 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1C[C@H](c2ccsc2)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000363259750 647589725 /nfs/dbraw/zinc/58/97/25/647589725.db2.gz QKRLSEFZCZDKOX-WTTBNOFXSA-N 1 2 384.567 2.350 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1C[C@H](c2ccsc2)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000363259751 647589835 /nfs/dbraw/zinc/58/98/35/647589835.db2.gz QKRLSEFZCZDKOX-XJNFMUPTSA-N 1 2 384.567 2.350 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1C[C@H](c2ccsc2)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000363259751 647589838 /nfs/dbraw/zinc/58/98/38/647589838.db2.gz QKRLSEFZCZDKOX-XJNFMUPTSA-N 1 2 384.567 2.350 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000363498091 647598088 /nfs/dbraw/zinc/59/80/88/647598088.db2.gz WPWUEDQAVOMXJJ-CABCVRRESA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000363498091 647598094 /nfs/dbraw/zinc/59/80/94/647598094.db2.gz WPWUEDQAVOMXJJ-CABCVRRESA-N 1 2 384.307 2.377 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3sc(C)nc3C(F)(F)F)C2)nn1 ZINC000363897480 647610773 /nfs/dbraw/zinc/61/07/73/647610773.db2.gz PQZNMLTYNXGVHR-SECBINFHSA-N 1 2 375.376 2.295 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3sc(C)nc3C(F)(F)F)C2)nn1 ZINC000363897480 647610778 /nfs/dbraw/zinc/61/07/78/647610778.db2.gz PQZNMLTYNXGVHR-SECBINFHSA-N 1 2 375.376 2.295 20 0 GEADLO O=S(=O)(c1ccccc1OC(F)F)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000364757187 647641028 /nfs/dbraw/zinc/64/10/28/647641028.db2.gz PLGGLUUEXROFLG-LBPRGKRZSA-N 1 2 378.466 2.100 20 0 GEADLO O=C(C[NH+]1CCC(Cn2cc(Br)cn2)CC1)NCC(F)(F)F ZINC000364907796 647648271 /nfs/dbraw/zinc/64/82/71/647648271.db2.gz ARYKSEHQTCRAFX-UHFFFAOYSA-N 1 2 383.212 2.036 20 0 GEADLO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1cccc(Cl)c1 ZINC000365477302 647672572 /nfs/dbraw/zinc/67/25/72/647672572.db2.gz HXEFKJGJSLTDFL-INMHGKMJSA-N 1 2 384.929 2.274 20 0 GEADLO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1cccc(Cl)c1 ZINC000365477302 647672575 /nfs/dbraw/zinc/67/25/75/647672575.db2.gz HXEFKJGJSLTDFL-INMHGKMJSA-N 1 2 384.929 2.274 20 0 GEADLO COC(=O)[C@H]1C[C@H](NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)C[NH2+]1 ZINC000365773135 647687585 /nfs/dbraw/zinc/68/75/85/647687585.db2.gz ZQSWVYDYMQDCMY-CXRSCHCNSA-N 1 2 376.762 2.392 20 0 GEADLO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366053919 647692535 /nfs/dbraw/zinc/69/25/35/647692535.db2.gz UQSDLJGKLMKWPC-YESZJQIVSA-N 1 2 379.298 2.486 20 0 GEADLO O=C(NCc1ccc(Br)c(F)c1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366130755 647695070 /nfs/dbraw/zinc/69/50/70/647695070.db2.gz AKWQSAYFMNVEFW-ZDUSSCGKSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(NCc1ccc(Br)c(F)c1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366130755 647695076 /nfs/dbraw/zinc/69/50/76/647695076.db2.gz AKWQSAYFMNVEFW-ZDUSSCGKSA-N 1 2 386.265 2.251 20 0 GEADLO Nc1nccc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)n1 ZINC000366822972 647706190 /nfs/dbraw/zinc/70/61/90/647706190.db2.gz HBPOYSQQBCJWTR-GFCCVEGCSA-N 1 2 390.285 2.639 20 0 GEADLO Nc1nccc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cc3)C2)n1 ZINC000366822972 647706207 /nfs/dbraw/zinc/70/62/07/647706207.db2.gz HBPOYSQQBCJWTR-GFCCVEGCSA-N 1 2 390.285 2.639 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)N1CCC1 ZINC000367068675 647717241 /nfs/dbraw/zinc/71/72/41/647717241.db2.gz RLQCDOTVSKFSPC-UHFFFAOYSA-N 1 2 378.325 2.498 20 0 GEADLO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(Br)cc2nc[nH]c21 ZINC000367076729 647718073 /nfs/dbraw/zinc/71/80/73/647718073.db2.gz BRLNOWNMVZQMJD-STQMWFEESA-N 1 2 393.285 2.309 20 0 GEADLO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(Br)cc2nc[nH]c21 ZINC000367076729 647718077 /nfs/dbraw/zinc/71/80/77/647718077.db2.gz BRLNOWNMVZQMJD-STQMWFEESA-N 1 2 393.285 2.309 20 0 GEADLO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc(Br)cc2nc[nH]c21 ZINC000367076727 647718169 /nfs/dbraw/zinc/71/81/69/647718169.db2.gz BRLNOWNMVZQMJD-OLZOCXBDSA-N 1 2 393.285 2.309 20 0 GEADLO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc(Br)cc2nc[nH]c21 ZINC000367076727 647718173 /nfs/dbraw/zinc/71/81/73/647718173.db2.gz BRLNOWNMVZQMJD-OLZOCXBDSA-N 1 2 393.285 2.309 20 0 GEADLO O=C(Nc1c[nH+]ccc1-n1ccnn1)C1(c2cncc(Br)c2)CC1 ZINC000367408110 647732891 /nfs/dbraw/zinc/73/28/91/647732891.db2.gz OHIUWPSSTWTTJP-UHFFFAOYSA-N 1 2 385.225 2.490 20 0 GEADLO C[C@](O)(C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000368686293 647764581 /nfs/dbraw/zinc/76/45/81/647764581.db2.gz FFUNNRDFNVYTHY-WBVHZDCISA-N 1 2 383.901 2.095 20 0 GEADLO C[C@](O)(C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000368686293 647764587 /nfs/dbraw/zinc/76/45/87/647764587.db2.gz FFUNNRDFNVYTHY-WBVHZDCISA-N 1 2 383.901 2.095 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC1 ZINC000368831127 647766056 /nfs/dbraw/zinc/76/60/56/647766056.db2.gz VEKGGNHNXKTPEI-UHFFFAOYSA-N 1 2 383.279 2.369 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC1 ZINC000368831127 647766058 /nfs/dbraw/zinc/76/60/58/647766058.db2.gz VEKGGNHNXKTPEI-UHFFFAOYSA-N 1 2 383.279 2.369 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369042626 647767552 /nfs/dbraw/zinc/76/75/52/647767552.db2.gz VYWPNPCFISPYTA-ZBEGNZNMSA-N 1 2 382.258 2.351 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369042626 647767556 /nfs/dbraw/zinc/76/75/56/647767556.db2.gz VYWPNPCFISPYTA-ZBEGNZNMSA-N 1 2 382.258 2.351 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369042624 647767653 /nfs/dbraw/zinc/76/76/53/647767653.db2.gz VYWPNPCFISPYTA-BZNIZROVSA-N 1 2 382.258 2.351 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369042624 647767655 /nfs/dbraw/zinc/76/76/55/647767655.db2.gz VYWPNPCFISPYTA-BZNIZROVSA-N 1 2 382.258 2.351 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369037835 647767737 /nfs/dbraw/zinc/76/77/37/647767737.db2.gz ZTTQGBSYBLATOS-MEDUHNTESA-N 1 2 382.258 2.351 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369037835 647767744 /nfs/dbraw/zinc/76/77/44/647767744.db2.gz ZTTQGBSYBLATOS-MEDUHNTESA-N 1 2 382.258 2.351 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]([N@H+](C)Cc3noc(C)n3)CC2)s1 ZINC000373680141 647816293 /nfs/dbraw/zinc/81/62/93/647816293.db2.gz IKZLBMWWNCADRB-AWEZNQCLSA-N 1 2 384.527 2.423 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]([N@@H+](C)Cc3noc(C)n3)CC2)s1 ZINC000373680141 647816295 /nfs/dbraw/zinc/81/62/95/647816295.db2.gz IKZLBMWWNCADRB-AWEZNQCLSA-N 1 2 384.527 2.423 20 0 GEADLO FC(F)(F)Cn1nnc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)n1 ZINC000374316616 647821145 /nfs/dbraw/zinc/82/11/45/647821145.db2.gz YNKCSKYPGSFQRM-AWEZNQCLSA-N 1 2 375.782 2.380 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccncc2I)C1 ZINC000375946494 647837562 /nfs/dbraw/zinc/83/75/62/647837562.db2.gz HRCRYOJJFKMECN-LLVKDONJSA-N 1 2 396.232 2.440 20 0 GEADLO O=C(NCCn1cc(Br)cn1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376424297 647845500 /nfs/dbraw/zinc/84/55/00/647845500.db2.gz WXCUSKFDFRFZTC-ZDUSSCGKSA-N 1 2 378.274 2.073 20 0 GEADLO C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]21 ZINC000376933695 647850491 /nfs/dbraw/zinc/85/04/91/647850491.db2.gz PIYQFIOYAALCFC-BBRMVZONSA-N 1 2 384.929 2.445 20 0 GEADLO C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]21 ZINC000376933695 647850493 /nfs/dbraw/zinc/85/04/93/647850493.db2.gz PIYQFIOYAALCFC-BBRMVZONSA-N 1 2 384.929 2.445 20 0 GEADLO O=S(=O)(c1ccc(Br)cc1F)N1CC[NH+](C2CCC2)CC1 ZINC000378709804 647887127 /nfs/dbraw/zinc/88/71/27/647887127.db2.gz KIYKEAJWNZZAAG-UHFFFAOYSA-N 1 2 377.279 2.447 20 0 GEADLO O=S(=O)(NCC[NH+]1CCSCC1)c1c(Cl)cccc1Br ZINC000380158339 647887524 /nfs/dbraw/zinc/88/75/24/647887524.db2.gz YXRSMXPWRYFEMP-UHFFFAOYSA-N 1 2 399.763 2.430 20 0 GEADLO C[C@H](NC(=O)Nc1cc2ccc(Br)cn2n1)[C@H](C)[NH+]1CCOCC1 ZINC000482189440 647896643 /nfs/dbraw/zinc/89/66/43/647896643.db2.gz XLGNUVIBVPRQFW-RYUDHWBXSA-N 1 2 396.289 2.328 20 0 GEADLO CCOCCOC[C@H](O)CNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000409671812 647977338 /nfs/dbraw/zinc/97/73/38/647977338.db2.gz MZSQKPHKIGJPES-LLVKDONJSA-N 1 2 387.249 2.384 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000409712102 647980486 /nfs/dbraw/zinc/98/04/86/647980486.db2.gz XGFINVXIPJVXJA-WFASDCNBSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000409712102 647980490 /nfs/dbraw/zinc/98/04/90/647980490.db2.gz XGFINVXIPJVXJA-WFASDCNBSA-N 1 2 398.301 2.293 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCSC2(CCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000411864393 648036402 /nfs/dbraw/zinc/03/64/02/648036402.db2.gz DTKUFPHOHVLSFB-INIZCTEOSA-N 1 2 388.599 2.164 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCSC2(CCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000411864393 648036407 /nfs/dbraw/zinc/03/64/07/648036407.db2.gz DTKUFPHOHVLSFB-INIZCTEOSA-N 1 2 388.599 2.164 20 0 GEADLO C[C@@H](O)CNc1cc(N(C)CC(=O)Nc2ccccc2Br)nc[nH+]1 ZINC000413025136 648057188 /nfs/dbraw/zinc/05/71/88/648057188.db2.gz GFMPPFQWXDQUIM-LLVKDONJSA-N 1 2 394.273 2.107 20 0 GEADLO C[C@@H](O)CNc1cc(N(C)CC(=O)Nc2ccccc2Br)[nH+]cn1 ZINC000413025136 648057193 /nfs/dbraw/zinc/05/71/93/648057193.db2.gz GFMPPFQWXDQUIM-LLVKDONJSA-N 1 2 394.273 2.107 20 0 GEADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC[N@H+](C)C1 ZINC000416596154 648181644 /nfs/dbraw/zinc/18/16/44/648181644.db2.gz XVVNQQAQHYWCMK-NSHDSACASA-N 1 2 395.308 2.027 20 0 GEADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC[N@@H+](C)C1 ZINC000416596154 648181645 /nfs/dbraw/zinc/18/16/45/648181645.db2.gz XVVNQQAQHYWCMK-NSHDSACASA-N 1 2 395.308 2.027 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416661749 648205107 /nfs/dbraw/zinc/20/51/07/648205107.db2.gz JVSWUQAIJBAWJL-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416661749 648205112 /nfs/dbraw/zinc/20/51/12/648205112.db2.gz JVSWUQAIJBAWJL-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000418131605 648283841 /nfs/dbraw/zinc/28/38/41/648283841.db2.gz XWBDRBXVSJFSMS-GFCCVEGCSA-N 1 2 376.787 2.195 20 0 GEADLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000418131605 648283845 /nfs/dbraw/zinc/28/38/45/648283845.db2.gz XWBDRBXVSJFSMS-GFCCVEGCSA-N 1 2 376.787 2.195 20 0 GEADLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000418772115 648311253 /nfs/dbraw/zinc/31/12/53/648311253.db2.gz UGGQWOYLAHPIDE-GFCCVEGCSA-N 1 2 392.903 2.474 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2CCSC[C@@H]2C2CCC2)n1 ZINC000419369695 648350485 /nfs/dbraw/zinc/35/04/85/648350485.db2.gz FSBQGLPISISOSD-CQSZACIVSA-N 1 2 383.539 2.405 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[N@H+]2CCSC[C@@H]2C2CCC2)n1 ZINC000419369695 648350490 /nfs/dbraw/zinc/35/04/90/648350490.db2.gz FSBQGLPISISOSD-CQSZACIVSA-N 1 2 383.539 2.405 20 0 GEADLO Cc1cc(CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc(C)[nH+]1 ZINC000421903604 648511029 /nfs/dbraw/zinc/51/10/29/648511029.db2.gz BEYNZUCHXRGINO-UHFFFAOYSA-N 1 2 381.885 2.337 20 0 GEADLO Cc1cc(CNC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)cc(C)[nH+]1 ZINC000422594291 648561481 /nfs/dbraw/zinc/56/14/81/648561481.db2.gz WGZWVFVKCNBZOI-CQSZACIVSA-N 1 2 376.507 2.088 20 0 GEADLO COc1cc(Br)c(CNC(=O)[C@H]([NH3+])c2cscn2)cc1OC ZINC000423148585 648584558 /nfs/dbraw/zinc/58/45/58/648584558.db2.gz WBDHEURYQJAIDP-CYBMUJFWSA-N 1 2 386.271 2.239 20 0 GEADLO Fc1cc(Br)cnc1CNc1ccn(CC[NH+]2CCOCC2)n1 ZINC000527673445 648708595 /nfs/dbraw/zinc/70/85/95/648708595.db2.gz GFOBZRKEFWICGR-UHFFFAOYSA-N 1 2 384.253 2.124 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000429005821 648742049 /nfs/dbraw/zinc/74/20/49/648742049.db2.gz KMBSZIGZYVJLOS-UHFFFAOYSA-N 1 2 382.511 2.026 20 0 GEADLO CNc1[nH+]cnc2c1cnn2C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000435706114 648785957 /nfs/dbraw/zinc/78/59/57/648785957.db2.gz PZRNXKVPNDYPFE-NSHDSACASA-N 1 2 396.220 2.210 20 0 GEADLO Cc1csc(NC(=O)C[NH2+][C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)n1 ZINC000435894829 648789317 /nfs/dbraw/zinc/78/93/17/648789317.db2.gz XLCREPKPXRSQMG-CJNGLKHVSA-N 1 2 381.523 2.462 20 0 GEADLO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(F)cc(Br)c1O ZINC000436850253 648796210 /nfs/dbraw/zinc/79/62/10/648796210.db2.gz GWEJXPBQRRPMTE-LLVKDONJSA-N 1 2 377.254 2.380 20 0 GEADLO CC[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2O)CC[N@@H+]1C[C@@H](C)O ZINC000436852718 648796978 /nfs/dbraw/zinc/79/69/78/648796978.db2.gz AXWIMOXINPFWKO-ZYHUDNBSSA-N 1 2 389.265 2.211 20 0 GEADLO CC[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2O)CC[N@H+]1C[C@@H](C)O ZINC000436852718 648796983 /nfs/dbraw/zinc/79/69/83/648796983.db2.gz AXWIMOXINPFWKO-ZYHUDNBSSA-N 1 2 389.265 2.211 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)cc1Cl ZINC000441388701 648827037 /nfs/dbraw/zinc/82/70/37/648827037.db2.gz SYQVGADEGDWIDF-UHFFFAOYSA-N 1 2 383.857 2.413 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000441569542 648832337 /nfs/dbraw/zinc/83/23/37/648832337.db2.gz IXVVWOFIVWCKCM-UHFFFAOYSA-N 1 2 381.205 2.150 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000443094412 648861422 /nfs/dbraw/zinc/86/14/22/648861422.db2.gz LETDUKSACJJMOI-NSHDSACASA-N 1 2 379.463 2.251 20 0 GEADLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000443486578 648879749 /nfs/dbraw/zinc/87/97/49/648879749.db2.gz OYYCLRXBIJODNI-UHFFFAOYSA-N 1 2 384.841 2.363 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000548192016 651066966 /nfs/dbraw/zinc/06/69/66/651066966.db2.gz XXRJXQJFHSSBAU-UHFFFAOYSA-N 1 2 383.315 2.131 20 0 GEADLO CS(=O)(=O)Nc1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000548651464 651082462 /nfs/dbraw/zinc/08/24/62/651082462.db2.gz JSMLKRHMCOXNBR-NSHDSACASA-N 1 2 383.861 2.045 20 0 GEADLO CS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000548651455 651082505 /nfs/dbraw/zinc/08/25/05/651082505.db2.gz JSMLKRHMCOXNBR-LLVKDONJSA-N 1 2 383.861 2.045 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)CCO1 ZINC000548803556 651086288 /nfs/dbraw/zinc/08/62/88/651086288.db2.gz DEAPEBGMWPBNFX-JTQLQIEISA-N 1 2 377.229 2.107 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)CCO1 ZINC000548803556 651086289 /nfs/dbraw/zinc/08/62/89/651086289.db2.gz DEAPEBGMWPBNFX-JTQLQIEISA-N 1 2 377.229 2.107 20 0 GEADLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548909280 651089006 /nfs/dbraw/zinc/08/90/06/651089006.db2.gz OJPSGWKSTXIDEM-IAQYHMDHSA-N 1 2 380.901 2.484 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)Nc1cnn(-c2ccccn2)c(=O)c1Br ZINC000549109434 651092228 /nfs/dbraw/zinc/09/22/28/651092228.db2.gz RTYQQJOPBPIJNG-NSHDSACASA-N 1 2 375.230 2.087 20 0 GEADLO O=c1c(Br)c(NCCCCn2cc[nH+]c2)cnn1-c1ccccn1 ZINC000549139290 651092503 /nfs/dbraw/zinc/09/25/03/651092503.db2.gz SUXOLFDOUNFSOW-UHFFFAOYSA-N 1 2 389.257 2.479 20 0 GEADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)Cc2ccc(C(F)F)cc2)CC1 ZINC000549787265 651100679 /nfs/dbraw/zinc/10/06/79/651100679.db2.gz IOBVPPPZQLURJX-UHFFFAOYSA-N 1 2 376.469 2.497 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCCc1ccccc1Br)[NH+]1CCOCC1 ZINC000552331729 651147052 /nfs/dbraw/zinc/14/70/52/651147052.db2.gz JUAHJWXXQCTSMO-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc(Br)c2)C1 ZINC000552459069 651149733 /nfs/dbraw/zinc/14/97/33/651149733.db2.gz YZARZCYHHJULTR-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc(Br)c2)C1 ZINC000552459069 651149740 /nfs/dbraw/zinc/14/97/40/651149740.db2.gz YZARZCYHHJULTR-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000552459829 651149902 /nfs/dbraw/zinc/14/99/02/651149902.db2.gz MMPYYYWPDBLYGY-GFCCVEGCSA-N 1 2 389.279 2.373 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000552459829 651149904 /nfs/dbraw/zinc/14/99/04/651149904.db2.gz MMPYYYWPDBLYGY-GFCCVEGCSA-N 1 2 389.279 2.373 20 0 GEADLO Cn1cncc1CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552801657 651158272 /nfs/dbraw/zinc/15/82/72/651158272.db2.gz NBHBZZWEUUNKBY-UHFFFAOYSA-N 1 2 392.257 2.244 20 0 GEADLO Cc1nn(C)cc1S(=O)(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000553447513 651176302 /nfs/dbraw/zinc/17/63/02/651176302.db2.gz SPNGOLOIRWYTDG-MRXNPFEDSA-N 1 2 382.917 2.497 20 0 GEADLO CSCc1nnc(S[C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000553867092 651191742 /nfs/dbraw/zinc/19/17/42/651191742.db2.gz DJHKKCQFDQUMMU-LBPRGKRZSA-N 1 2 379.511 2.157 20 0 GEADLO C[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1(S(C)(=O)=O)CC1 ZINC000556865775 651255724 /nfs/dbraw/zinc/25/57/24/651255724.db2.gz HXVBAPSIDDTBON-LBPRGKRZSA-N 1 2 386.543 2.216 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000559284110 651294876 /nfs/dbraw/zinc/29/48/76/651294876.db2.gz WSNXQLQYHQPKNG-ISTVAULSSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000559284110 651294879 /nfs/dbraw/zinc/29/48/79/651294879.db2.gz WSNXQLQYHQPKNG-ISTVAULSSA-N 1 2 380.794 2.361 20 0 GEADLO O=S(=O)(CC1Cc2ccccc2C1)NCC[N@@H+]1CCc2sccc2C1 ZINC000559640944 651299928 /nfs/dbraw/zinc/29/99/28/651299928.db2.gz QRPUSSJTKAELTH-UHFFFAOYSA-N 1 2 376.547 2.441 20 0 GEADLO O=S(=O)(CC1Cc2ccccc2C1)NCC[N@H+]1CCc2sccc2C1 ZINC000559640944 651299930 /nfs/dbraw/zinc/29/99/30/651299930.db2.gz QRPUSSJTKAELTH-UHFFFAOYSA-N 1 2 376.547 2.441 20 0 GEADLO CC[N@H+](CC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)C1CC1 ZINC000560134119 651304059 /nfs/dbraw/zinc/30/40/59/651304059.db2.gz ZBSSTBGEJPEYAZ-UHFFFAOYSA-N 1 2 378.416 2.209 20 0 GEADLO CC[N@@H+](CC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)C1CC1 ZINC000560134119 651304061 /nfs/dbraw/zinc/30/40/61/651304061.db2.gz ZBSSTBGEJPEYAZ-UHFFFAOYSA-N 1 2 378.416 2.209 20 0 GEADLO O=S1(=O)CCC[C@H](C[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000560155490 651304330 /nfs/dbraw/zinc/30/43/30/651304330.db2.gz DZMBRWMAVQXMKD-MRXNPFEDSA-N 1 2 386.945 2.161 20 0 GEADLO O=S(=O)(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CCC1 ZINC000560458878 651310230 /nfs/dbraw/zinc/31/02/30/651310230.db2.gz WOXBWHCDCQONLS-QGZVFWFLSA-N 1 2 377.535 2.388 20 0 GEADLO O=S(=O)(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CCC1 ZINC000560458878 651310232 /nfs/dbraw/zinc/31/02/32/651310232.db2.gz WOXBWHCDCQONLS-QGZVFWFLSA-N 1 2 377.535 2.388 20 0 GEADLO Cc1cc(Br)oc1C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000560489977 651311428 /nfs/dbraw/zinc/31/14/28/651311428.db2.gz RTFNIKYZNIZJFF-NSHDSACASA-N 1 2 382.258 2.135 20 0 GEADLO COC(=O)[C@@H]([NH3+])Cc1cn(CC/C=C/c2ccc(Br)cc2)nn1 ZINC000603227667 651472652 /nfs/dbraw/zinc/47/26/52/651472652.db2.gz NROPWUTZUJPNQI-OMDKTOEGSA-N 1 2 379.258 2.187 20 0 GEADLO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000716295634 651474484 /nfs/dbraw/zinc/47/44/84/651474484.db2.gz MKKLRCKYBGQBHZ-ZFWWWQNUSA-N 1 2 382.917 2.262 20 0 GEADLO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000716295634 651474488 /nfs/dbraw/zinc/47/44/88/651474488.db2.gz MKKLRCKYBGQBHZ-ZFWWWQNUSA-N 1 2 382.917 2.262 20 0 GEADLO CCSc1ccc(Cn2cc(C[C@@H]([NH3+])C(=O)OC)nn2)c(Br)c1 ZINC000603261860 651474952 /nfs/dbraw/zinc/47/49/52/651474952.db2.gz WGACLAPVCXVPLO-CQSZACIVSA-N 1 2 399.314 2.244 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc2nn(C[N@@H+]3CC[C@H](C)C3)c(=S)n2c1 ZINC000725778281 651479118 /nfs/dbraw/zinc/47/91/18/651479118.db2.gz LLKZGLFDGAVZAB-ZDUSSCGKSA-N 1 2 383.543 2.195 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc2nn(C[N@H+]3CC[C@H](C)C3)c(=S)n2c1 ZINC000725778281 651479121 /nfs/dbraw/zinc/47/91/21/651479121.db2.gz LLKZGLFDGAVZAB-ZDUSSCGKSA-N 1 2 383.543 2.195 20 0 GEADLO C[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C1(S(C)(=O)=O)CC1 ZINC000561921950 651485474 /nfs/dbraw/zinc/48/54/74/651485474.db2.gz CNPMWVDFBKEMOW-DOMZBBRYSA-N 1 2 387.933 2.208 20 0 GEADLO C[C@@H]1CN(C(=O)c2nc3ccccc3cc2Br)CC[N@@H+]1CCO ZINC000561987206 651485939 /nfs/dbraw/zinc/48/59/39/651485939.db2.gz FPTLLKRTRUZTLV-GFCCVEGCSA-N 1 2 378.270 2.136 20 0 GEADLO C[C@@H]1CN(C(=O)c2nc3ccccc3cc2Br)CC[N@H+]1CCO ZINC000561987206 651485949 /nfs/dbraw/zinc/48/59/49/651485949.db2.gz FPTLLKRTRUZTLV-GFCCVEGCSA-N 1 2 378.270 2.136 20 0 GEADLO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726256158 651488577 /nfs/dbraw/zinc/48/85/77/651488577.db2.gz KNNJEZMEUBIMKE-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](Cc1cccc(Br)c1)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726256158 651488582 /nfs/dbraw/zinc/48/85/82/651488582.db2.gz KNNJEZMEUBIMKE-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000562358253 651492713 /nfs/dbraw/zinc/49/27/13/651492713.db2.gz LSZVJJOTGRXCAM-LLVKDONJSA-N 1 2 387.237 2.232 20 0 GEADLO O=S(=O)(C[C@@H]1CCCCO1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000562359249 651493351 /nfs/dbraw/zinc/49/33/51/651493351.db2.gz TZWCHRQGXZPBEU-ROUUACIJSA-N 1 2 384.567 2.093 20 0 GEADLO O=S(=O)(C[C@@H]1CCCCO1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000562359249 651493352 /nfs/dbraw/zinc/49/33/52/651493352.db2.gz TZWCHRQGXZPBEU-ROUUACIJSA-N 1 2 384.567 2.093 20 0 GEADLO O=S(=O)(Cc1cccc(Br)c1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000563137982 651511887 /nfs/dbraw/zinc/51/18/87/651511887.db2.gz BICKIGNVYYNSBY-MRXNPFEDSA-N 1 2 396.310 2.320 20 0 GEADLO COC(=O)[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000604528861 651516006 /nfs/dbraw/zinc/51/60/06/651516006.db2.gz OHLBZURGTNZOKU-HNNXBMFYSA-N 1 2 380.242 2.456 20 0 GEADLO N[C@H](C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cscn1 ZINC000563532225 651530249 /nfs/dbraw/zinc/53/02/49/651530249.db2.gz XFPAUYOMXSYYJW-INIZCTEOSA-N 1 2 380.901 2.020 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CSc2ccccc21 ZINC000605171978 651530748 /nfs/dbraw/zinc/53/07/48/651530748.db2.gz BHHBOSFFCUTCAR-MAUKXSAKSA-N 1 2 379.551 2.341 20 0 GEADLO O=C(c1nc(C2CC2)ncc1Br)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000644448810 651545931 /nfs/dbraw/zinc/54/59/31/651545931.db2.gz CIZDCKPYNIYLRD-ZDUSSCGKSA-N 1 2 395.301 2.053 20 0 GEADLO CN(C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000564050682 651552903 /nfs/dbraw/zinc/55/29/03/651552903.db2.gz GGTLRAOVTQBZPL-PMPSAXMXSA-N 1 2 381.929 2.165 20 0 GEADLO CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000564050682 651552910 /nfs/dbraw/zinc/55/29/10/651552910.db2.gz GGTLRAOVTQBZPL-PMPSAXMXSA-N 1 2 381.929 2.165 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)CNC(=O)c3cccs3)CC2)s1 ZINC000606395058 651553078 /nfs/dbraw/zinc/55/30/78/651553078.db2.gz DSIWEMCBASCEIH-UHFFFAOYSA-N 1 2 377.535 2.446 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCSC[C@@H]2C)cc1 ZINC000564324388 651561373 /nfs/dbraw/zinc/56/13/73/651561373.db2.gz WHHZOCSLMWSGPI-AWEZNQCLSA-N 1 2 385.555 2.093 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCSC[C@@H]2C)cc1 ZINC000564324388 651561376 /nfs/dbraw/zinc/56/13/76/651561376.db2.gz WHHZOCSLMWSGPI-AWEZNQCLSA-N 1 2 385.555 2.093 20 0 GEADLO O=C(Cc1noc2ccc(Br)cc21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000644674500 651562889 /nfs/dbraw/zinc/56/28/89/651562889.db2.gz FBHVSJKAGQHHPO-ZDUSSCGKSA-N 1 2 394.269 2.066 20 0 GEADLO NC(=O)[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000729676826 651574223 /nfs/dbraw/zinc/57/42/23/651574223.db2.gz UNZYTEODTAKIRY-OAHLLOKOSA-N 1 2 398.207 2.482 20 0 GEADLO COc1cc(CNC(=O)NCCCn2cc[nH+]c2)c(Br)cc1O ZINC000645099540 651588059 /nfs/dbraw/zinc/58/80/59/651588059.db2.gz KTLPPXNIXGGCSN-UHFFFAOYSA-N 1 2 383.246 2.249 20 0 GEADLO COc1ccc(Cl)cc1CN1CCN(C(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000645398208 651601683 /nfs/dbraw/zinc/60/16/83/651601683.db2.gz ZUXPFLMFXPWIKF-INIZCTEOSA-N 1 2 380.901 2.149 20 0 GEADLO O=S(=O)(Cc1ccc(Br)cc1Cl)NCCn1cc[nH+]c1 ZINC000645436019 651603988 /nfs/dbraw/zinc/60/39/88/651603988.db2.gz UKOZNHFXHBZBLO-UHFFFAOYSA-N 1 2 378.679 2.419 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)c2c1OCCC2 ZINC000567578718 651627146 /nfs/dbraw/zinc/62/71/46/651627146.db2.gz BFVFRHZRGJSTMP-BETUJISGSA-N 1 2 395.297 2.367 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)c2c1OCCC2 ZINC000567578718 651627148 /nfs/dbraw/zinc/62/71/48/651627148.db2.gz BFVFRHZRGJSTMP-BETUJISGSA-N 1 2 395.297 2.367 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=S)Nc2cccc(Cl)c2)CC1 ZINC000731569556 651628614 /nfs/dbraw/zinc/62/86/14/651628614.db2.gz LYUKIEIQLRYBRH-UHFFFAOYSA-N 1 2 375.947 2.135 20 0 GEADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc(I)c[nH]1 ZINC000609660659 651629008 /nfs/dbraw/zinc/62/90/08/651629008.db2.gz FCNXPNMGZHQXLU-UHFFFAOYSA-N 1 2 381.217 2.365 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(F)(F)c2cccc(Cl)c2)CC1 ZINC000731648026 651630350 /nfs/dbraw/zinc/63/03/50/651630350.db2.gz DWOHWPLMVRFDQW-UHFFFAOYSA-N 1 2 394.871 2.057 20 0 GEADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(CCO)Cc1cccc(Br)c1 ZINC000567975983 651642883 /nfs/dbraw/zinc/64/28/83/651642883.db2.gz FUZSZMNTLSHEIG-CQSZACIVSA-N 1 2 378.270 2.229 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(Br)cc1 ZINC000568189257 651655691 /nfs/dbraw/zinc/65/56/91/651655691.db2.gz BPHXIVUWLVLYGR-YGRLFVJLSA-N 1 2 380.242 2.381 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC000568189257 651655694 /nfs/dbraw/zinc/65/56/94/651655694.db2.gz BPHXIVUWLVLYGR-YGRLFVJLSA-N 1 2 380.242 2.381 20 0 GEADLO CCOC(=O)C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000610425399 651661196 /nfs/dbraw/zinc/66/11/96/651661196.db2.gz JWKZCFJCWMKMCG-AWEZNQCLSA-N 1 2 380.242 2.456 20 0 GEADLO CCn1cnn(CN2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c1=S ZINC000732672074 651670963 /nfs/dbraw/zinc/67/09/63/651670963.db2.gz COYJCDOXJYWLDH-MRXNPFEDSA-N 1 2 381.933 2.396 20 0 GEADLO O=C([C@@H]1COCCO1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000646088875 651678051 /nfs/dbraw/zinc/67/80/51/651678051.db2.gz YBSPJGJCUJXHMJ-INIZCTEOSA-N 1 2 394.269 2.090 20 0 GEADLO C[C@@H](CC(=O)N(C)CC(=O)Nc1ccc(Br)cn1)n1cc[nH+]c1 ZINC000568889270 651687385 /nfs/dbraw/zinc/68/73/85/651687385.db2.gz QLFUGFKUPWDJRK-NSHDSACASA-N 1 2 380.246 2.089 20 0 GEADLO CCS(=O)(=O)C1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000568986363 651693999 /nfs/dbraw/zinc/69/39/99/651693999.db2.gz ANQDAONGBQKIBG-LBPRGKRZSA-N 1 2 386.543 2.026 20 0 GEADLO CCS(=O)(=O)C1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000568986363 651694001 /nfs/dbraw/zinc/69/40/01/651694001.db2.gz ANQDAONGBQKIBG-LBPRGKRZSA-N 1 2 386.543 2.026 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2ccc(Cl)cc2Br)CCO1 ZINC000733256053 651696607 /nfs/dbraw/zinc/69/66/07/651696607.db2.gz ADUFDIOQJKQAEI-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2ccc(Cl)cc2Br)CCO1 ZINC000733256053 651696612 /nfs/dbraw/zinc/69/66/12/651696612.db2.gz ADUFDIOQJKQAEI-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO CC[C@H](C(=O)N[C@@H](CO)c1ccc(Br)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000646610911 651706230 /nfs/dbraw/zinc/70/62/30/651706230.db2.gz XEPYXYOFBLEGJW-IXDOHACOSA-N 1 2 399.329 2.488 20 0 GEADLO CC[C@H](C(=O)N[C@@H](CO)c1ccc(Br)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000646610911 651706238 /nfs/dbraw/zinc/70/62/38/651706238.db2.gz XEPYXYOFBLEGJW-IXDOHACOSA-N 1 2 399.329 2.488 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000569463503 651715751 /nfs/dbraw/zinc/71/57/51/651715751.db2.gz OOMUCDPPAIDIBK-JTQLQIEISA-N 1 2 397.239 2.463 20 0 GEADLO Cn1ncc(Br)c1C[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000569463503 651715754 /nfs/dbraw/zinc/71/57/54/651715754.db2.gz OOMUCDPPAIDIBK-JTQLQIEISA-N 1 2 397.239 2.463 20 0 GEADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000733894370 651728276 /nfs/dbraw/zinc/72/82/76/651728276.db2.gz DFBPWGHYCCVIFU-OAHLLOKOSA-N 1 2 382.917 2.146 20 0 GEADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000733894370 651728280 /nfs/dbraw/zinc/72/82/80/651728280.db2.gz DFBPWGHYCCVIFU-OAHLLOKOSA-N 1 2 382.917 2.146 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H](O)C3CCC3)[nH+]c12 ZINC000569929168 651734676 /nfs/dbraw/zinc/73/46/76/651734676.db2.gz QTDFCGHHZICZAB-HNNXBMFYSA-N 1 2 395.301 2.408 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000647312403 651743413 /nfs/dbraw/zinc/74/34/13/651743413.db2.gz ZTZDMQYTCWEWCL-MLGOLLRUSA-N 1 2 394.896 2.076 20 0 GEADLO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000570078974 651744948 /nfs/dbraw/zinc/74/49/48/651744948.db2.gz GVSVIUWJQJGJLD-GXTWGEPZSA-N 1 2 388.559 2.031 20 0 GEADLO Cc1nc(CC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)n[nH]1 ZINC000612441646 651757110 /nfs/dbraw/zinc/75/71/10/651757110.db2.gz MAFBDAJOKDTRCN-UHFFFAOYSA-N 1 2 392.301 2.199 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)Cc1cn[nH]c1 ZINC000648374191 651785007 /nfs/dbraw/zinc/78/50/07/651785007.db2.gz AFMPCGPIWAFBTE-LLVKDONJSA-N 1 2 381.274 2.318 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000648374191 651785010 /nfs/dbraw/zinc/78/50/10/651785010.db2.gz AFMPCGPIWAFBTE-LLVKDONJSA-N 1 2 381.274 2.318 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000735754741 651794574 /nfs/dbraw/zinc/79/45/74/651794574.db2.gz ATJXVFUEIRKLBS-ABAIWWIYSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CCO1 ZINC000735754741 651794578 /nfs/dbraw/zinc/79/45/78/651794578.db2.gz ATJXVFUEIRKLBS-ABAIWWIYSA-N 1 2 376.284 2.047 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000648759652 651800106 /nfs/dbraw/zinc/80/01/06/651800106.db2.gz NLLSJTCSCDUDAB-UHFFFAOYSA-N 1 2 389.265 2.437 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000648759652 651800109 /nfs/dbraw/zinc/80/01/09/651800109.db2.gz NLLSJTCSCDUDAB-UHFFFAOYSA-N 1 2 389.265 2.437 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000648773152 651801060 /nfs/dbraw/zinc/80/10/60/651801060.db2.gz ZHGNQZWBLNVSSC-JTQLQIEISA-N 1 2 384.299 2.197 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000613994033 651807699 /nfs/dbraw/zinc/80/76/99/651807699.db2.gz HQYMLVNVRDKXDD-NWANDNLSSA-N 1 2 392.297 2.254 20 0 GEADLO Cc1nnc([C@@H]2CC[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)[nH]1 ZINC000571292221 651823615 /nfs/dbraw/zinc/82/36/15/651823615.db2.gz SBHOBLPQSBMHNL-DOMZBBRYSA-N 1 2 390.285 2.470 20 0 GEADLO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)n1 ZINC000571292221 651823616 /nfs/dbraw/zinc/82/36/16/651823616.db2.gz SBHOBLPQSBMHNL-DOMZBBRYSA-N 1 2 390.285 2.470 20 0 GEADLO Cc1n[nH]c([C@@H]2CC[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)n1 ZINC000571292221 651823622 /nfs/dbraw/zinc/82/36/22/651823622.db2.gz SBHOBLPQSBMHNL-DOMZBBRYSA-N 1 2 390.285 2.470 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000571299480 651824747 /nfs/dbraw/zinc/82/47/47/651824747.db2.gz SJWBEQBHBWYWJV-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000571299480 651824752 /nfs/dbraw/zinc/82/47/52/651824752.db2.gz SJWBEQBHBWYWJV-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO [NH2+]=C1Nc2nc3ccccc3n2[C@]2(N1)C(=O)Nc1cc(Br)ccc12 ZINC000614429370 651826871 /nfs/dbraw/zinc/82/68/71/651826871.db2.gz IRGQGCZWQFZQQR-INIZCTEOSA-N 1 2 383.209 2.402 20 0 GEADLO C[N@H+](CCn1cc(Br)cn1)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000571391392 651829787 /nfs/dbraw/zinc/82/97/87/651829787.db2.gz CDNZDKPVJVCYEI-UHFFFAOYSA-N 1 2 390.285 2.214 20 0 GEADLO C[N@@H+](CCn1cc(Br)cn1)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000571391392 651829791 /nfs/dbraw/zinc/82/97/91/651829791.db2.gz CDNZDKPVJVCYEI-UHFFFAOYSA-N 1 2 390.285 2.214 20 0 GEADLO C[C@@H](CC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1)n1cc[nH+]c1 ZINC000649880884 651835849 /nfs/dbraw/zinc/83/58/49/651835849.db2.gz PCZXNZVGWZXQRJ-LRDDRELGSA-N 1 2 391.269 2.296 20 0 GEADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615126913 651849847 /nfs/dbraw/zinc/84/98/47/651849847.db2.gz NEMHEPKKPJNZGP-IUODEOHRSA-N 1 2 391.269 2.283 20 0 GEADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615128029 651851342 /nfs/dbraw/zinc/85/13/42/651851342.db2.gz LSEINEATBAEICM-WFASDCNBSA-N 1 2 391.269 2.283 20 0 GEADLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000650278180 651853452 /nfs/dbraw/zinc/85/34/52/651853452.db2.gz DGPQBKAZRSFXMB-ZDUSSCGKSA-N 1 2 380.290 2.332 20 0 GEADLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000650278180 651853456 /nfs/dbraw/zinc/85/34/56/651853456.db2.gz DGPQBKAZRSFXMB-ZDUSSCGKSA-N 1 2 380.290 2.332 20 0 GEADLO O=C(c1cn2ccc(Br)cc2n1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615532817 651866272 /nfs/dbraw/zinc/86/62/72/651866272.db2.gz CARMHZGQNQNJQO-CQSZACIVSA-N 1 2 393.285 2.034 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651108504 651872404 /nfs/dbraw/zinc/87/24/04/651872404.db2.gz OYZMPGVPSJQKNV-OCCSQVGLSA-N 1 2 383.286 2.152 20 0 GEADLO CN(C)S(=O)(=O)c1cnn(C[N@H+](C)CCCOc2ccc(Cl)cc2)c1 ZINC000738029715 651876555 /nfs/dbraw/zinc/87/65/55/651876555.db2.gz POPAWXFJQNWLMT-UHFFFAOYSA-N 1 2 386.905 2.145 20 0 GEADLO CN(C)S(=O)(=O)c1cnn(C[N@@H+](C)CCCOc2ccc(Cl)cc2)c1 ZINC000738029715 651876561 /nfs/dbraw/zinc/87/65/61/651876561.db2.gz POPAWXFJQNWLMT-UHFFFAOYSA-N 1 2 386.905 2.145 20 0 GEADLO COCCCSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000615950761 651885898 /nfs/dbraw/zinc/88/58/98/651885898.db2.gz LVUKLGPZWGBLEJ-UHFFFAOYSA-N 1 2 383.539 2.309 20 0 GEADLO COc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(Br)cc1O ZINC000616504914 651902467 /nfs/dbraw/zinc/90/24/67/651902467.db2.gz CDPWAVZYQPRHLR-GHMZBOCLSA-N 1 2 380.242 2.317 20 0 GEADLO C[C@@](CO)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000616829128 651911418 /nfs/dbraw/zinc/91/14/18/651911418.db2.gz JVVJONDNEFDKHM-SJCJKPOMSA-N 1 2 378.270 2.232 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000572779549 651912155 /nfs/dbraw/zinc/91/21/55/651912155.db2.gz OLESYSRPEFZVAJ-IAQYHMDHSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000572779549 651912158 /nfs/dbraw/zinc/91/21/58/651912158.db2.gz OLESYSRPEFZVAJ-IAQYHMDHSA-N 1 2 391.269 2.051 20 0 GEADLO COC(=O)[C@@H](CNc1nc(C)[nH+]cc1C)Oc1ccc(Br)cc1 ZINC000573020562 651929138 /nfs/dbraw/zinc/92/91/38/651929138.db2.gz PCAFJKDOOSKQSD-CQSZACIVSA-N 1 2 380.242 2.888 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)[C@H](C)c2ccc(Br)cc2)CC1 ZINC000652999074 651931252 /nfs/dbraw/zinc/93/12/52/651931252.db2.gz KIPLUVYXCCPDDT-OAHLLOKOSA-N 1 2 399.329 2.360 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC000652998186 651931376 /nfs/dbraw/zinc/93/13/76/651931376.db2.gz BDGGFOHTJCALKS-UHFFFAOYSA-N 1 2 375.296 2.343 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000652999749 651931814 /nfs/dbraw/zinc/93/18/14/651931814.db2.gz ILAYCRZTRIHDGI-UHFFFAOYSA-N 1 2 389.265 2.009 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)CCc2ccccc2Br)CC1 ZINC000653000369 651932011 /nfs/dbraw/zinc/93/20/11/651932011.db2.gz BSVIYPNFAYYMHG-UHFFFAOYSA-N 1 2 399.329 2.189 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000573339051 651948489 /nfs/dbraw/zinc/94/84/89/651948489.db2.gz BUONLBOESBQAJM-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000573339051 651948491 /nfs/dbraw/zinc/94/84/91/651948491.db2.gz BUONLBOESBQAJM-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO O=C(NC[C@@H]1CCCCC1(F)F)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000573418496 651953827 /nfs/dbraw/zinc/95/38/27/651953827.db2.gz BRRXKNMFCOJPFF-HOCLYGCPSA-N 1 2 377.501 2.319 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2nn(C(C)(C)C)cc2Br)[C@H](C)CO1 ZINC000617721891 651967094 /nfs/dbraw/zinc/96/70/94/651967094.db2.gz VHFUVERZGABUHR-VXGBXAGGSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2nn(C(C)(C)C)cc2Br)[C@H](C)CO1 ZINC000617721891 651967103 /nfs/dbraw/zinc/96/71/03/651967103.db2.gz VHFUVERZGABUHR-VXGBXAGGSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc3c(c(Br)c2)OCO3)[C@@H](C)CO1 ZINC000617734732 651969202 /nfs/dbraw/zinc/96/92/02/651969202.db2.gz HDJXMFXPROCXHL-WDEREUQCSA-N 1 2 385.258 2.017 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc3c(c(Br)c2)OCO3)[C@@H](C)CO1 ZINC000617734732 651969207 /nfs/dbraw/zinc/96/92/07/651969207.db2.gz HDJXMFXPROCXHL-WDEREUQCSA-N 1 2 385.258 2.017 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)COc1ccc(F)cc1Br ZINC000617743745 651969841 /nfs/dbraw/zinc/96/98/41/651969841.db2.gz NJJTXYKSVMDFCW-NEPJUHHUSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)COc1ccc(F)cc1Br ZINC000617743745 651969845 /nfs/dbraw/zinc/96/98/45/651969845.db2.gz NJJTXYKSVMDFCW-NEPJUHHUSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H](C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)[NH+]1CCN(C)CC1 ZINC000617775779 651972391 /nfs/dbraw/zinc/97/23/91/651972391.db2.gz VYKVCUYNSWJMRC-AWEZNQCLSA-N 1 2 385.339 2.278 20 0 GEADLO C[C@H](C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000617790114 651973044 /nfs/dbraw/zinc/97/30/44/651973044.db2.gz BFZWCKMXECBRAK-CQSZACIVSA-N 1 2 385.339 2.278 20 0 GEADLO O=C(NCCO)C1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000742396078 651987660 /nfs/dbraw/zinc/98/76/60/651987660.db2.gz XAAPDRLXLDPTPC-UHFFFAOYSA-N 1 2 378.270 2.322 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000655678383 652007221 /nfs/dbraw/zinc/00/72/21/652007221.db2.gz UVGSAQVOICKWGA-AWEZNQCLSA-N 1 2 388.917 2.224 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)s1 ZINC000618454790 652017347 /nfs/dbraw/zinc/01/73/47/652017347.db2.gz WEBDQUALOPIFAF-WCQYABFASA-N 1 2 385.511 2.119 20 0 GEADLO CC(C)[C@@H]1C[N@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CCS1 ZINC000743395251 652019045 /nfs/dbraw/zinc/01/90/45/652019045.db2.gz GZANQKTYKPLWCF-AWEZNQCLSA-N 1 2 381.523 2.112 20 0 GEADLO CC(C)[C@@H]1C[N@@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CCS1 ZINC000743395251 652019054 /nfs/dbraw/zinc/01/90/54/652019054.db2.gz GZANQKTYKPLWCF-AWEZNQCLSA-N 1 2 381.523 2.112 20 0 GEADLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2Br)C(=O)N1c1cnn(C)c1 ZINC000656503779 652029423 /nfs/dbraw/zinc/02/94/23/652029423.db2.gz ADTGSNXXLQOGOG-ZWNOBZJWSA-N 1 2 379.258 2.172 20 0 GEADLO COc1c(N)[nH+]cnc1N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000574651173 652034323 /nfs/dbraw/zinc/03/43/23/652034323.db2.gz IYMJWHQZKPCOIW-UHFFFAOYSA-N 1 2 396.264 2.291 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000574770851 652042327 /nfs/dbraw/zinc/04/23/27/652042327.db2.gz POKLIVABGLXHEN-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000574770851 652042334 /nfs/dbraw/zinc/04/23/34/652042334.db2.gz POKLIVABGLXHEN-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO NC(=O)c1csc(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)n1 ZINC000656714199 652047677 /nfs/dbraw/zinc/04/76/77/652047677.db2.gz GBTPZTOHHWTUPF-QMMMGPOBSA-N 1 2 376.265 2.078 20 0 GEADLO CC(C)[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC[N@@H+]1C ZINC000575109599 652063105 /nfs/dbraw/zinc/06/31/05/652063105.db2.gz JWIMPJQKTSPRLA-HNNXBMFYSA-N 1 2 385.917 2.185 20 0 GEADLO CC(C)[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC[N@H+]1C ZINC000575109599 652063113 /nfs/dbraw/zinc/06/31/13/652063113.db2.gz JWIMPJQKTSPRLA-HNNXBMFYSA-N 1 2 385.917 2.185 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000575180887 652067087 /nfs/dbraw/zinc/06/70/87/652067087.db2.gz HDFBYTYTEXDMGS-LBPRGKRZSA-N 1 2 385.686 2.425 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000657017023 652087679 /nfs/dbraw/zinc/08/76/79/652087679.db2.gz FOHVMFNJNQMCRY-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO O=S1(=O)CCC[C@@H](C[N@@H+](CCO)Cc2ccc(Br)s2)C1 ZINC000576761690 652143415 /nfs/dbraw/zinc/14/34/15/652143415.db2.gz TUOZLPMUJXPPBX-NSHDSACASA-N 1 2 382.345 2.130 20 0 GEADLO O=S1(=O)CCC[C@@H](C[N@H+](CCO)Cc2ccc(Br)s2)C1 ZINC000576761690 652143418 /nfs/dbraw/zinc/14/34/18/652143418.db2.gz TUOZLPMUJXPPBX-NSHDSACASA-N 1 2 382.345 2.130 20 0 GEADLO CCc1ccc(CNC(=O)C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)s1 ZINC000621356679 652151349 /nfs/dbraw/zinc/15/13/49/652151349.db2.gz UQJPCHUNYOHYSS-KRWDZBQOSA-N 1 2 378.519 2.186 20 0 GEADLO C[C@H](NC(=O)c1cc2c(cc1Br)OCO2)[C@H](C)[NH+]1CCOCC1 ZINC000621856794 652169257 /nfs/dbraw/zinc/16/92/57/652169257.db2.gz DRQUYBVMCJQQGJ-QWRGUYRKSA-N 1 2 385.258 2.017 20 0 GEADLO C[N@@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1CC1(Cl)Cl ZINC000747669594 652174923 /nfs/dbraw/zinc/17/49/23/652174923.db2.gz QPCKUJIBHDLXHJ-LBPRGKRZSA-N 1 2 380.316 2.191 20 0 GEADLO C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1CC1(Cl)Cl ZINC000747669594 652174935 /nfs/dbraw/zinc/17/49/35/652174935.db2.gz QPCKUJIBHDLXHJ-LBPRGKRZSA-N 1 2 380.316 2.191 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1cccc(Br)c1F ZINC000657580717 652175372 /nfs/dbraw/zinc/17/53/72/652175372.db2.gz RGKNLCHNZFTIOA-UHFFFAOYSA-N 1 2 383.221 2.320 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(OC)ccc2Br)C1 ZINC000577307165 652177879 /nfs/dbraw/zinc/17/78/79/652177879.db2.gz IXWYCLTWRDNHNP-LBPRGKRZSA-N 1 2 399.285 2.073 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(OC)ccc2Br)C1 ZINC000577307165 652177882 /nfs/dbraw/zinc/17/78/82/652177882.db2.gz IXWYCLTWRDNHNP-LBPRGKRZSA-N 1 2 399.285 2.073 20 0 GEADLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000657602505 652178806 /nfs/dbraw/zinc/17/88/06/652178806.db2.gz JZMSXXIEYZEWMI-HIFRSBDPSA-N 1 2 378.475 2.458 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc2c(cc1Br)OCO2 ZINC000622048589 652181149 /nfs/dbraw/zinc/18/11/49/652181149.db2.gz PMPSHNYJNMMVGN-NWDGAFQWSA-N 1 2 397.269 2.113 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000657640631 652184384 /nfs/dbraw/zinc/18/43/84/652184384.db2.gz YVSRFZIGSWLICU-AAEUAGOBSA-N 1 2 379.931 2.189 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000748456357 652203328 /nfs/dbraw/zinc/20/33/28/652203328.db2.gz AIDRENKIYPSCJN-IAQYHMDHSA-N 1 2 389.279 2.435 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000748456357 652203332 /nfs/dbraw/zinc/20/33/32/652203332.db2.gz AIDRENKIYPSCJN-IAQYHMDHSA-N 1 2 389.279 2.435 20 0 GEADLO O=C(NCCc1cccc(Br)c1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000577833021 652220053 /nfs/dbraw/zinc/22/00/53/652220053.db2.gz DHPCIHDEJBWDCP-IYBDPMFKSA-N 1 2 382.302 2.154 20 0 GEADLO O=C(NCCc1cccc(Br)c1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000577833021 652220072 /nfs/dbraw/zinc/22/00/72/652220072.db2.gz DHPCIHDEJBWDCP-IYBDPMFKSA-N 1 2 382.302 2.154 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000623256998 652229194 /nfs/dbraw/zinc/22/91/94/652229194.db2.gz VJVCRBOWBXRTGF-UHFFFAOYSA-N 1 2 378.274 2.170 20 0 GEADLO OCCCCN1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000749366767 652249372 /nfs/dbraw/zinc/24/93/72/652249372.db2.gz RODVHSDBCSFGLE-CQSZACIVSA-N 1 2 377.312 2.123 20 0 GEADLO COc1ccc(OCc2nc(C[NH2+][C@@H]3CCS(=O)(=O)[C@@H]3C)cs2)cc1 ZINC000623719180 652256312 /nfs/dbraw/zinc/25/63/12/652256312.db2.gz KCOBFFGPAYZPPE-MLGOLLRUSA-N 1 2 382.507 2.396 20 0 GEADLO O=C(C[NH2+]Cc1ncc(Br)cc1F)Nc1ccc2c(c1)OCCO2 ZINC000623779803 652260161 /nfs/dbraw/zinc/26/01/61/652260161.db2.gz PQAIQHITUWUPJR-UHFFFAOYSA-N 1 2 396.216 2.483 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N(CCO)Cc1cc(Br)cs1 ZINC000578297565 652260697 /nfs/dbraw/zinc/26/06/97/652260697.db2.gz OVNYEBSKMKEXJI-GFCCVEGCSA-N 1 2 399.314 2.226 20 0 GEADLO C[N@H+](CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C1CC(C)(C)C1 ZINC000578440483 652273321 /nfs/dbraw/zinc/27/33/21/652273321.db2.gz CQXRAJUBIZFDLW-CQSZACIVSA-N 1 2 384.567 2.384 20 0 GEADLO C[N@@H+](CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C1CC(C)(C)C1 ZINC000578440483 652273328 /nfs/dbraw/zinc/27/33/28/652273328.db2.gz CQXRAJUBIZFDLW-CQSZACIVSA-N 1 2 384.567 2.384 20 0 GEADLO O=C([C@H]1CCc2c[nH+]cn2C1)N(CCO)Cc1cc(Br)ccc1F ZINC000578654951 652286485 /nfs/dbraw/zinc/28/64/85/652286485.db2.gz NLXMUXSNAXCQQR-LBPRGKRZSA-N 1 2 396.260 2.368 20 0 GEADLO Cc1ncc(S(=O)(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1C ZINC000624845804 652306008 /nfs/dbraw/zinc/30/60/08/652306008.db2.gz OKRPJRWVHIAOQN-MRXNPFEDSA-N 1 2 382.917 2.497 20 0 GEADLO Cc1cc(Br)c(F)cc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000624967639 652316637 /nfs/dbraw/zinc/31/66/37/652316637.db2.gz OYAUNEBNQWMGDN-UHFFFAOYSA-N 1 2 397.335 2.224 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000579230525 652327208 /nfs/dbraw/zinc/32/72/08/652327208.db2.gz NSMQKZBQLYPBJW-ZDUSSCGKSA-N 1 2 383.258 2.219 20 0 GEADLO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000625310094 652342323 /nfs/dbraw/zinc/34/23/23/652342323.db2.gz PEUZPQKPMRQWDO-AWEZNQCLSA-N 1 2 380.432 2.163 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(S(=O)(=O)NC)oc2C)n1 ZINC000751365697 652342607 /nfs/dbraw/zinc/34/26/07/652342607.db2.gz XSWFFWMHDNNYLU-UHFFFAOYSA-N 1 2 386.499 2.047 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000751419548 652346873 /nfs/dbraw/zinc/34/68/73/652346873.db2.gz VSAVGTRODQDBED-AWEZNQCLSA-N 1 2 379.309 2.071 20 0 GEADLO Brc1ccc2[nH]c(CN3CC[NH+](Cc4cn[nH]c4)CC3)nc2c1 ZINC000625474300 652348074 /nfs/dbraw/zinc/34/80/74/652348074.db2.gz LCCWTDLFDPTZTH-UHFFFAOYSA-N 1 2 375.274 2.366 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000625508571 652350532 /nfs/dbraw/zinc/35/05/32/652350532.db2.gz BVGGDZPTUAPQSM-CQSZACIVSA-N 1 2 381.757 2.418 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000625508571 652350537 /nfs/dbraw/zinc/35/05/37/652350537.db2.gz BVGGDZPTUAPQSM-CQSZACIVSA-N 1 2 381.757 2.418 20 0 GEADLO O=S(=O)(CC[NH+]1CCC(c2nnc[nH]2)CC1)c1ccc(Br)cc1 ZINC000751500410 652357919 /nfs/dbraw/zinc/35/79/19/652357919.db2.gz HOXZSLJQWIRKKL-UHFFFAOYSA-N 1 2 399.314 2.221 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2ccsc2Br)CCO1 ZINC000579855880 652358031 /nfs/dbraw/zinc/35/80/31/652358031.db2.gz IBTBKJUYQXHSOR-LBPRGKRZSA-N 1 2 376.320 2.421 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2ccsc2Br)CCO1 ZINC000579855880 652358038 /nfs/dbraw/zinc/35/80/38/652358038.db2.gz IBTBKJUYQXHSOR-LBPRGKRZSA-N 1 2 376.320 2.421 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC([NH+]2CCOCC2)CC1 ZINC000625604788 652361148 /nfs/dbraw/zinc/36/11/48/652361148.db2.gz GOPPQBICRXTUOQ-UHFFFAOYSA-N 1 2 379.309 2.479 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C[C@@H]3CSCCS3)cc2)CC1 ZINC000751699932 652364301 /nfs/dbraw/zinc/36/43/01/652364301.db2.gz RSBHWZRDDJWCMA-MRXNPFEDSA-N 1 2 379.551 2.251 20 0 GEADLO CCC[C@@H](CNC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)c1ccc(Cl)cc1Cl ZINC000625712469 652368491 /nfs/dbraw/zinc/36/84/91/652368491.db2.gz YMTGRWGRYNKKPF-UVBJJODRSA-N 1 2 375.296 2.031 20 0 GEADLO C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000660036867 652376504 /nfs/dbraw/zinc/37/65/04/652376504.db2.gz WLXSTVQZLJACJA-MGPQQGTHSA-N 1 2 384.464 2.138 20 0 GEADLO CCc1ccc(-c2nc(C[NH+]3CCC(NS(N)(=O)=O)CC3)cs2)cc1 ZINC000626033466 652379987 /nfs/dbraw/zinc/37/99/87/652379987.db2.gz SCCWBEGVNICCIU-UHFFFAOYSA-N 1 2 380.539 2.130 20 0 GEADLO O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CCN(CCCF)CC1 ZINC000626070562 652381537 /nfs/dbraw/zinc/38/15/37/652381537.db2.gz SXBQSJQWKVTIKR-HNNXBMFYSA-N 1 2 393.272 2.305 20 0 GEADLO O=C(c1ccc(Br)c(F)c1F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000626081230 652381948 /nfs/dbraw/zinc/38/19/48/652381948.db2.gz AJLPIPXMLPLRAS-SNVBAGLBSA-N 1 2 375.213 2.274 20 0 GEADLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000580536712 652382496 /nfs/dbraw/zinc/38/24/96/652382496.db2.gz LSRBNKMRJUOOOH-NSHDSACASA-N 1 2 398.248 2.334 20 0 GEADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000580536712 652382497 /nfs/dbraw/zinc/38/24/97/652382497.db2.gz LSRBNKMRJUOOOH-NSHDSACASA-N 1 2 398.248 2.334 20 0 GEADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000580536711 652382511 /nfs/dbraw/zinc/38/25/11/652382511.db2.gz LSRBNKMRJUOOOH-LLVKDONJSA-N 1 2 398.248 2.334 20 0 GEADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000580536711 652382512 /nfs/dbraw/zinc/38/25/12/652382512.db2.gz LSRBNKMRJUOOOH-LLVKDONJSA-N 1 2 398.248 2.334 20 0 GEADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc2cc(Br)ccc2s1 ZINC000626225557 652386332 /nfs/dbraw/zinc/38/63/32/652386332.db2.gz ASENWSXFFHMPTO-CYBMUJFWSA-N 1 2 380.311 2.393 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccc(Br)c(F)c1 ZINC000580878191 652394745 /nfs/dbraw/zinc/39/47/45/652394745.db2.gz WDHZEZTUCOECPX-BETUJISGSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccc(Br)c(F)c1 ZINC000580878191 652394748 /nfs/dbraw/zinc/39/47/48/652394748.db2.gz WDHZEZTUCOECPX-BETUJISGSA-N 1 2 386.265 2.251 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000752866135 652395117 /nfs/dbraw/zinc/39/51/17/652395117.db2.gz OHOBMMRCUUWCPV-BFQNTYOBSA-N 1 2 390.311 2.435 20 0 GEADLO O=C(NCCc1ccc(Br)s1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660266775 652396892 /nfs/dbraw/zinc/39/68/92/652396892.db2.gz SPLFRYZMPKWNMG-GFCCVEGCSA-N 1 2 388.331 2.169 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(OC)cc2Br)C1 ZINC000581058276 652399964 /nfs/dbraw/zinc/39/99/64/652399964.db2.gz JYJVGXKOSOFADA-GFCCVEGCSA-N 1 2 399.285 2.073 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(OC)cc2Br)C1 ZINC000581058276 652399966 /nfs/dbraw/zinc/39/99/66/652399966.db2.gz JYJVGXKOSOFADA-GFCCVEGCSA-N 1 2 399.285 2.073 20 0 GEADLO O=C(NCc1ccc(Br)c(F)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660509039 652404956 /nfs/dbraw/zinc/40/49/56/652404956.db2.gz UYHXMTDOGIUAQM-ZDUSSCGKSA-N 1 2 386.265 2.204 20 0 GEADLO C[C@H]([C@H](C)NC(=O)N[C@H](CO)c1cccc(Cl)c1Cl)[NH+]1CCOCC1 ZINC000660707099 652411095 /nfs/dbraw/zinc/41/10/95/652411095.db2.gz LXCOOUYKERTIHQ-YWPYICTPSA-N 1 2 390.311 2.435 20 0 GEADLO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCN(c2ncns2)CC1 ZINC000660710903 652411555 /nfs/dbraw/zinc/41/15/55/652411555.db2.gz DESRCUNKIFGBNN-GFCCVEGCSA-N 1 2 389.308 2.407 20 0 GEADLO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2CCOC[C@H](O)C2)C1=O ZINC000581410710 652411821 /nfs/dbraw/zinc/41/18/21/652411821.db2.gz IRRUJQXVSAMAHI-CVEARBPZSA-N 1 2 397.313 2.254 20 0 GEADLO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@H+]2CCOC[C@H](O)C2)C1=O ZINC000581410710 652411826 /nfs/dbraw/zinc/41/18/26/652411826.db2.gz IRRUJQXVSAMAHI-CVEARBPZSA-N 1 2 397.313 2.254 20 0 GEADLO Cn1ncc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1Br ZINC000753804684 652416310 /nfs/dbraw/zinc/41/63/10/652416310.db2.gz WLGVALUWBJRIJO-UHFFFAOYSA-N 1 2 379.258 2.267 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc(S(N)(=O)=O)c2C)n1 ZINC000753952417 652421383 /nfs/dbraw/zinc/42/13/83/652421383.db2.gz LCUBATREVPUSQA-UHFFFAOYSA-N 1 2 382.511 2.193 20 0 GEADLO CCOC(=O)CSc1nnc(NC(=O)c2ccn3c(C)c[nH+]c3c2)s1 ZINC000581675296 652421689 /nfs/dbraw/zinc/42/16/89/652421689.db2.gz NMGXAEUTXNCFKV-UHFFFAOYSA-N 1 2 377.451 2.402 20 0 GEADLO CO[C@@]1(CO)CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000661393427 652430806 /nfs/dbraw/zinc/43/08/06/652430806.db2.gz LAXOPYKLYYSCMT-KRWDZBQOSA-N 1 2 396.285 2.396 20 0 GEADLO CO[C@@]1(CO)CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000661393427 652430809 /nfs/dbraw/zinc/43/08/09/652430809.db2.gz LAXOPYKLYYSCMT-KRWDZBQOSA-N 1 2 396.285 2.396 20 0 GEADLO O=S1(=O)CCC[C@@H](C[NH+]2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000661576438 652432876 /nfs/dbraw/zinc/43/28/76/652432876.db2.gz LDTDBMYHHHVCKE-AWEZNQCLSA-N 1 2 387.343 2.396 20 0 GEADLO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661576932 652433308 /nfs/dbraw/zinc/43/33/08/652433308.db2.gz RZSSHCMBOCSPKK-WMLDXEAASA-N 1 2 396.329 2.255 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)Cc1cccc(Br)c1)C2 ZINC000582202453 652440137 /nfs/dbraw/zinc/44/01/37/652440137.db2.gz KYMNJGFQPNXPLT-OAHLLOKOSA-N 1 2 392.297 2.163 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662015581 652445312 /nfs/dbraw/zinc/44/53/12/652445312.db2.gz YGMZVMHIBXEZTG-CQSZACIVSA-N 1 2 397.317 2.384 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662015581 652445316 /nfs/dbraw/zinc/44/53/16/652445316.db2.gz YGMZVMHIBXEZTG-CQSZACIVSA-N 1 2 397.317 2.384 20 0 GEADLO Cc1[nH]c(CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)[nH+]c1C ZINC000628121823 652452058 /nfs/dbraw/zinc/45/20/58/652452058.db2.gz XKZWVJMCGWISCW-UHFFFAOYSA-N 1 2 386.880 2.326 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628175015 652453876 /nfs/dbraw/zinc/45/38/76/652453876.db2.gz GOKUMYOVJAQDFL-LBPRGKRZSA-N 1 2 384.395 2.280 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000628175015 652453879 /nfs/dbraw/zinc/45/38/79/652453879.db2.gz GOKUMYOVJAQDFL-LBPRGKRZSA-N 1 2 384.395 2.280 20 0 GEADLO CC1(C)CN(C[C@@H](O)C[NH+]2CCOCC2)c2ccc(Br)cc2O1 ZINC000662328180 652455922 /nfs/dbraw/zinc/45/59/22/652455922.db2.gz PANDGMJTMBVKRX-AWEZNQCLSA-N 1 2 385.302 2.120 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)Cc2ccc(Br)c(F)c2)CCO1 ZINC000755657323 652471734 /nfs/dbraw/zinc/47/17/34/652471734.db2.gz PQRDZZREAQKSHH-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)Cc2ccc(Br)c(F)c2)CCO1 ZINC000755657323 652471738 /nfs/dbraw/zinc/47/17/38/652471738.db2.gz PQRDZZREAQKSHH-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO COCCN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC000583243832 652478393 /nfs/dbraw/zinc/47/83/93/652478393.db2.gz UWUVEFHOICZDGS-UKRRQHHQSA-N 1 2 381.270 2.012 20 0 GEADLO COCCN1C(=O)C[C@@H]([N@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC000583243832 652478394 /nfs/dbraw/zinc/47/83/94/652478394.db2.gz UWUVEFHOICZDGS-UKRRQHHQSA-N 1 2 381.270 2.012 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000755950595 652481965 /nfs/dbraw/zinc/48/19/65/652481965.db2.gz VDJWXJPRUMOGPV-VWLOTQADSA-N 1 2 378.460 2.470 20 0 GEADLO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2ccc3nc(C)sc3c2)CC1 ZINC000756074849 652486936 /nfs/dbraw/zinc/48/69/36/652486936.db2.gz AEZYDBZYUJDLPK-UHFFFAOYSA-N 1 2 382.555 2.309 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2nnn(C)n2)CC1 ZINC000583731776 652496121 /nfs/dbraw/zinc/49/61/21/652496121.db2.gz RCROUDAMPWVINN-HNNXBMFYSA-N 1 2 379.306 2.242 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCC1 ZINC000629946146 652500048 /nfs/dbraw/zinc/50/00/48/652500048.db2.gz WLZIONDHGCKYAI-UHFFFAOYSA-N 1 2 380.495 2.367 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCC1 ZINC000629946146 652500053 /nfs/dbraw/zinc/50/00/53/652500053.db2.gz WLZIONDHGCKYAI-UHFFFAOYSA-N 1 2 380.495 2.367 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(Br)s2)[C@H](C)CO1 ZINC000663693202 652508961 /nfs/dbraw/zinc/50/89/61/652508961.db2.gz LYPPSIQQYYBLRB-GHMZBOCLSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(Br)s2)[C@H](C)CO1 ZINC000663693202 652508963 /nfs/dbraw/zinc/50/89/63/652508963.db2.gz LYPPSIQQYYBLRB-GHMZBOCLSA-N 1 2 376.320 2.419 20 0 GEADLO Cc1nc(NC2CCN(S(=O)(=O)C3CC3)CC2)c(Br)c(C)[nH+]1 ZINC000663705568 652509667 /nfs/dbraw/zinc/50/96/67/652509667.db2.gz RTMZHSYCVULANQ-UHFFFAOYSA-N 1 2 389.319 2.224 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2sccc2Br)[C@H](C)CO1 ZINC000663869243 652514053 /nfs/dbraw/zinc/51/40/53/652514053.db2.gz ZRMYZNMXRDFKBX-GHMZBOCLSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2sccc2Br)[C@H](C)CO1 ZINC000663869243 652514056 /nfs/dbraw/zinc/51/40/56/652514056.db2.gz ZRMYZNMXRDFKBX-GHMZBOCLSA-N 1 2 376.320 2.419 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@]4(O)C[C@H]4C3)[nH+]c12 ZINC000664647343 652534067 /nfs/dbraw/zinc/53/40/67/652534067.db2.gz OEEYSSUREYGHQJ-YVEFUNNKSA-N 1 2 393.285 2.114 20 0 GEADLO O=S(=O)(Cc1ncsc1Br)N1CCOc2cc[nH+]cc21 ZINC000632075799 652549600 /nfs/dbraw/zinc/54/96/00/652549600.db2.gz URGIFLOUJMBSKP-UHFFFAOYSA-N 1 2 376.257 2.029 20 0 GEADLO CC(C)(C)n1cc(Br)c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000665379481 652551678 /nfs/dbraw/zinc/55/16/78/652551678.db2.gz RARBUHSOWZRSFI-CYBMUJFWSA-N 1 2 399.333 2.337 20 0 GEADLO CN1CC[NH+](C[C@H](O)COc2cc(F)c(Cl)cc2Br)CC1 ZINC000666145231 652567438 /nfs/dbraw/zinc/56/74/38/652567438.db2.gz HIBCXISUHKSQHT-JTQLQIEISA-N 1 2 381.673 2.229 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1nc2ccc(Br)cn2n1 ZINC000666320350 652571259 /nfs/dbraw/zinc/57/12/59/652571259.db2.gz JMJVLZXGAWFMFN-UHFFFAOYSA-N 1 2 389.257 2.297 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc(Br)c2nccn2c1 ZINC000632792217 652579885 /nfs/dbraw/zinc/57/98/85/652579885.db2.gz HSAAWOHKGQKCPP-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc(Br)c2nccn2c1 ZINC000632792217 652579889 /nfs/dbraw/zinc/57/98/89/652579889.db2.gz HSAAWOHKGQKCPP-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000592202123 652591393 /nfs/dbraw/zinc/59/13/93/652591393.db2.gz ZBJCDRDEZYFFAM-FOGDFJRCSA-N 1 2 375.252 2.176 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000592202123 652591395 /nfs/dbraw/zinc/59/13/95/652591395.db2.gz ZBJCDRDEZYFFAM-FOGDFJRCSA-N 1 2 375.252 2.176 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000592205828 652591649 /nfs/dbraw/zinc/59/16/49/652591649.db2.gz XTCPIOXLXOLEAO-MWLCHTKSSA-N 1 2 386.235 2.399 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000592205828 652591654 /nfs/dbraw/zinc/59/16/54/652591654.db2.gz XTCPIOXLXOLEAO-MWLCHTKSSA-N 1 2 386.235 2.399 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000759952399 652592064 /nfs/dbraw/zinc/59/20/64/652592064.db2.gz FGCAQGPXBHQVPW-ZDUSSCGKSA-N 1 2 383.290 2.481 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1Br ZINC000592434063 652594782 /nfs/dbraw/zinc/59/47/82/652594782.db2.gz UVOYRPSLAUEZPO-LBPRGKRZSA-N 1 2 385.306 2.232 20 0 GEADLO O=C(CCNC(=O)c1cc(Cl)cs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000760207573 652599089 /nfs/dbraw/zinc/59/90/89/652599089.db2.gz HEABHZPHIHUMBQ-UHFFFAOYSA-N 1 2 378.885 2.265 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000592532046 652599180 /nfs/dbraw/zinc/59/91/80/652599180.db2.gz MBTVCFQTBWEEPV-QWRGUYRKSA-N 1 2 394.212 2.406 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000592532046 652599186 /nfs/dbraw/zinc/59/91/86/652599186.db2.gz MBTVCFQTBWEEPV-QWRGUYRKSA-N 1 2 394.212 2.406 20 0 GEADLO O=C([C@@H]1CCC[N@@H+](Cc2c(F)cncc2Br)C1)N1CCOCC1 ZINC000667493588 652608059 /nfs/dbraw/zinc/60/80/59/652608059.db2.gz XQFBGRVGYRJBDQ-GFCCVEGCSA-N 1 2 386.265 2.054 20 0 GEADLO O=C([C@@H]1CCC[N@H+](Cc2c(F)cncc2Br)C1)N1CCOCC1 ZINC000667493588 652608062 /nfs/dbraw/zinc/60/80/62/652608062.db2.gz XQFBGRVGYRJBDQ-GFCCVEGCSA-N 1 2 386.265 2.054 20 0 GEADLO O=C(CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)c(F)c1 ZINC000633709922 652608447 /nfs/dbraw/zinc/60/84/47/652608447.db2.gz SSCLATZSSBBHIF-LLVKDONJSA-N 1 2 380.217 2.346 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)CSCc2cscn2)cn1 ZINC000593688364 652632035 /nfs/dbraw/zinc/63/20/35/652632035.db2.gz HDFWHSRNCKZLEA-UHFFFAOYSA-N 1 2 376.511 2.035 20 0 GEADLO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3csc(S(C)(=O)=O)c3)C2)c1 ZINC000634273816 652636048 /nfs/dbraw/zinc/63/60/48/652636048.db2.gz JUEAQYIFRASAMB-INIZCTEOSA-N 1 2 378.519 2.464 20 0 GEADLO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3csc(S(C)(=O)=O)c3)C2)c1 ZINC000634273816 652636052 /nfs/dbraw/zinc/63/60/52/652636052.db2.gz JUEAQYIFRASAMB-INIZCTEOSA-N 1 2 378.519 2.464 20 0 GEADLO Cn1ncc(Br)c1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634304422 652637171 /nfs/dbraw/zinc/63/71/71/652637171.db2.gz GLPLILOQXFTJQI-UHFFFAOYSA-N 1 2 396.314 2.061 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1nn(C(C)(C)C)cc1Br)[NH+]1CCOCC1 ZINC000668319415 652637871 /nfs/dbraw/zinc/63/78/71/652637871.db2.gz HVUDPUCRIAUJRI-NWDGAFQWSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@H](C(=O)NC(N)=O)[NH+]1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000594045815 652638078 /nfs/dbraw/zinc/63/80/78/652638078.db2.gz ZVBUUFORRSGQIU-MRVPVSSYSA-N 1 2 379.675 2.352 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Br)cc1SC ZINC000594332631 652645184 /nfs/dbraw/zinc/64/51/84/652645184.db2.gz AXRFEWVJLDMMTC-LBPRGKRZSA-N 1 2 398.282 2.408 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Br)cc1SC ZINC000594332631 652645187 /nfs/dbraw/zinc/64/51/87/652645187.db2.gz AXRFEWVJLDMMTC-LBPRGKRZSA-N 1 2 398.282 2.408 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)sc1Br ZINC000634660966 652651539 /nfs/dbraw/zinc/65/15/39/652651539.db2.gz GPVGWNHHTONSFF-VIFPVBQESA-N 1 2 376.301 2.309 20 0 GEADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2sccc2SC(F)F)CC1 ZINC000761538257 652651575 /nfs/dbraw/zinc/65/15/75/652651575.db2.gz LIJHEDDVHARKBT-UHFFFAOYSA-N 1 2 377.482 2.299 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c(Br)c1O ZINC000668687993 652660003 /nfs/dbraw/zinc/66/00/03/652660003.db2.gz IVBZDEOQTHMPMK-GFCCVEGCSA-N 1 2 386.290 2.351 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c(Br)c1O ZINC000668687993 652660006 /nfs/dbraw/zinc/66/00/06/652660006.db2.gz IVBZDEOQTHMPMK-GFCCVEGCSA-N 1 2 386.290 2.351 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000668689100 652660060 /nfs/dbraw/zinc/66/00/60/652660060.db2.gz WKUDILDIFCMTCT-CYBMUJFWSA-N 1 2 398.301 2.408 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000668689100 652660063 /nfs/dbraw/zinc/66/00/63/652660063.db2.gz WKUDILDIFCMTCT-CYBMUJFWSA-N 1 2 398.301 2.408 20 0 GEADLO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1nnnn1C1CC1 ZINC000762362545 652687433 /nfs/dbraw/zinc/68/74/33/652687433.db2.gz DDGFJYNFFKGSFK-YGRLFVJLSA-N 1 2 391.273 2.227 20 0 GEADLO CC(C)(C)n1cc(Br)c(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000669277504 652689226 /nfs/dbraw/zinc/68/92/26/652689226.db2.gz WOCBHLVTHVNBAR-CYBMUJFWSA-N 1 2 399.333 2.337 20 0 GEADLO COC(=O)Cn1cc(C[NH2+][C@@H]2CSCc3ccc(Br)cc32)nn1 ZINC000594973710 652699361 /nfs/dbraw/zinc/69/93/61/652699361.db2.gz UIRYUVZHOJXSFI-CQSZACIVSA-N 1 2 397.298 2.291 20 0 GEADLO CC(=O)NCC[N@H+](CCn1ccccc1=O)Cc1ccc(Br)s1 ZINC000669705762 652715021 /nfs/dbraw/zinc/71/50/21/652715021.db2.gz MOSHGTZRRPYEDG-UHFFFAOYSA-N 1 2 398.326 2.311 20 0 GEADLO CC(=O)NCC[N@@H+](CCn1ccccc1=O)Cc1ccc(Br)s1 ZINC000669705762 652715027 /nfs/dbraw/zinc/71/50/27/652715027.db2.gz MOSHGTZRRPYEDG-UHFFFAOYSA-N 1 2 398.326 2.311 20 0 GEADLO Cc1sc(Cl)nc1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000762870495 652723050 /nfs/dbraw/zinc/72/30/50/652723050.db2.gz HOSOKQYILLJUHI-GFCCVEGCSA-N 1 2 379.917 2.440 20 0 GEADLO Cc1sc(Cl)nc1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000762870496 652723124 /nfs/dbraw/zinc/72/31/24/652723124.db2.gz HOSOKQYILLJUHI-LBPRGKRZSA-N 1 2 379.917 2.440 20 0 GEADLO COC(=O)[C@H](c1ccccc1Br)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000595494702 652731170 /nfs/dbraw/zinc/73/11/70/652731170.db2.gz ZVWAEIBTZFVEDW-KEYYUXOJSA-N 1 2 397.313 2.458 20 0 GEADLO O=C(NC[C@H]1CCCNC1=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000670430405 652747917 /nfs/dbraw/zinc/74/79/17/652747917.db2.gz XEIIMSXEGVZAHY-ZBFHGGJFSA-N 1 2 394.313 2.228 20 0 GEADLO CS(=O)(=O)c1cccc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000635988317 652771337 /nfs/dbraw/zinc/77/13/37/652771337.db2.gz QUISZGWMBWZDSP-ZDUSSCGKSA-N 1 2 375.372 2.097 20 0 GEADLO O=C(c1ccc(Br)cn1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636296089 652794856 /nfs/dbraw/zinc/79/48/56/652794856.db2.gz CMBSERLZCRSKQF-UHFFFAOYSA-N 1 2 375.270 2.240 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000597999458 652797331 /nfs/dbraw/zinc/79/73/31/652797331.db2.gz XDRKZHVILMLOIF-RYUDHWBXSA-N 1 2 399.285 2.075 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000597999458 652797336 /nfs/dbraw/zinc/79/73/36/652797336.db2.gz XDRKZHVILMLOIF-RYUDHWBXSA-N 1 2 399.285 2.075 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCc2c(Br)cnn2C)cc1 ZINC000636312601 652797391 /nfs/dbraw/zinc/79/73/91/652797391.db2.gz NRXFVXCNDGQULY-HNNXBMFYSA-N 1 2 393.285 2.082 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCc2c(Br)cnn2C)cc1 ZINC000636312601 652797396 /nfs/dbraw/zinc/79/73/96/652797396.db2.gz NRXFVXCNDGQULY-HNNXBMFYSA-N 1 2 393.285 2.082 20 0 GEADLO CN(CC(C)(C)S(C)(=O)=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000764419509 652799034 /nfs/dbraw/zinc/79/90/34/652799034.db2.gz KFTMOPYJWHNNCJ-HNNXBMFYSA-N 1 2 389.949 2.407 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1Br ZINC000598181620 652801684 /nfs/dbraw/zinc/80/16/84/652801684.db2.gz BFYBITFEPFVNKM-JMSVASOKSA-N 1 2 392.253 2.317 20 0 GEADLO COC(=O)[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccccc1Br ZINC000598184716 652803104 /nfs/dbraw/zinc/80/31/04/652803104.db2.gz NCSKVSFDSPYLGT-OAHLLOKOSA-N 1 2 380.242 2.456 20 0 GEADLO O=C(c1ccc(C(F)(F)F)s1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000671774022 652812324 /nfs/dbraw/zinc/81/23/24/652812324.db2.gz TWBCGYNWPNUCEL-GFCCVEGCSA-N 1 2 378.416 2.330 20 0 GEADLO COc1cc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc(Br)c1OC ZINC000636684265 652816183 /nfs/dbraw/zinc/81/61/83/652816183.db2.gz DSFWWCQSBBBZMV-NSHDSACASA-N 1 2 395.257 2.087 20 0 GEADLO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636726384 652819109 /nfs/dbraw/zinc/81/91/09/652819109.db2.gz XRHYIPYLBCCJAH-KGLIPLIRSA-N 1 2 390.285 2.148 20 0 GEADLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(OC)ncc1Br ZINC000598608797 652824208 /nfs/dbraw/zinc/82/42/08/652824208.db2.gz PTWHEBRHKMXMNX-QWHCGFSZSA-N 1 2 387.274 2.395 20 0 GEADLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(OC)ncc1Br ZINC000598608797 652824212 /nfs/dbraw/zinc/82/42/12/652824212.db2.gz PTWHEBRHKMXMNX-QWHCGFSZSA-N 1 2 387.274 2.395 20 0 GEADLO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637131032 652841169 /nfs/dbraw/zinc/84/11/69/652841169.db2.gz SBROQWBULHBPMI-ZFWWWQNUSA-N 1 2 376.258 2.416 20 0 GEADLO O=C(Cc1ccccc1I)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598948136 652842133 /nfs/dbraw/zinc/84/21/33/652842133.db2.gz PFPYJTZUQWSUCG-GFCCVEGCSA-N 1 2 381.217 2.161 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NC(=S)NC2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000765522195 652842804 /nfs/dbraw/zinc/84/28/04/652842804.db2.gz ZPEZBFKDVUTNMV-DLBZAZTESA-N 1 2 383.945 2.355 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NC(=S)NC2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000765522195 652842807 /nfs/dbraw/zinc/84/28/07/652842807.db2.gz ZPEZBFKDVUTNMV-DLBZAZTESA-N 1 2 383.945 2.355 20 0 GEADLO COC[C@]1(C)NC(=O)N(C[N@H+](C)Cc2ccc(Br)cc2C)C1=O ZINC000766090011 652866326 /nfs/dbraw/zinc/86/63/26/652866326.db2.gz UNDSVUOAJTWZTC-INIZCTEOSA-N 1 2 384.274 2.104 20 0 GEADLO COC[C@]1(C)NC(=O)N(C[N@@H+](C)Cc2ccc(Br)cc2C)C1=O ZINC000766090011 652866329 /nfs/dbraw/zinc/86/63/29/652866329.db2.gz UNDSVUOAJTWZTC-INIZCTEOSA-N 1 2 384.274 2.104 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(I)c1)N1CCc2[nH+]c[nH]c2C1 ZINC000599430166 652870923 /nfs/dbraw/zinc/87/09/23/652870923.db2.gz NUVVMRDWVUTKJV-JTQLQIEISA-N 1 2 396.232 2.400 20 0 GEADLO Cc1cccn2cc(CCNC(=O)c3c[nH]c(=O)c(Br)c3)[nH+]c12 ZINC000673747693 652875920 /nfs/dbraw/zinc/87/59/20/652875920.db2.gz VLCGLJAPJCDGHI-UHFFFAOYSA-N 1 2 375.226 2.478 20 0 GEADLO COC(=O)[C@]1([NH2+]CCc2cn[nH]c2)CCc2cc(Br)ccc2C1 ZINC000599595493 652878820 /nfs/dbraw/zinc/87/88/20/652878820.db2.gz VABSQEVPYCUGKA-KRWDZBQOSA-N 1 2 378.270 2.405 20 0 GEADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(-n2cc(Br)cn2)nn1 ZINC000674093051 652883336 /nfs/dbraw/zinc/88/33/36/652883336.db2.gz SCRNLNDHQINVPZ-UHFFFAOYSA-N 1 2 384.197 2.325 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(Br)cn2)[C@@H](C)C1 ZINC000599695037 652883932 /nfs/dbraw/zinc/88/39/32/652883932.db2.gz JPVBWQYISJYNBB-ZSBIGDGJSA-N 1 2 384.274 2.445 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc(Br)cn2)[C@@H](C)C1 ZINC000599695037 652883935 /nfs/dbraw/zinc/88/39/35/652883935.db2.gz JPVBWQYISJYNBB-ZSBIGDGJSA-N 1 2 384.274 2.445 20 0 GEADLO C[C@H](CNC(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000674425264 652897451 /nfs/dbraw/zinc/89/74/51/652897451.db2.gz XTKGUVGPJCFBKD-MXWKQRLJSA-N 1 2 377.329 2.089 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674428032 652897907 /nfs/dbraw/zinc/89/79/07/652897907.db2.gz VWYJCVLMDGABEB-VWYCJHECSA-N 1 2 377.329 2.089 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cnc(Cl)n1C ZINC000766848531 652900349 /nfs/dbraw/zinc/90/03/49/652900349.db2.gz CEGPCQTXPYDQTJ-KBPBESRZSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1cnc(Cl)n1C ZINC000766848531 652900352 /nfs/dbraw/zinc/90/03/52/652900352.db2.gz CEGPCQTXPYDQTJ-KBPBESRZSA-N 1 2 382.917 2.357 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000766859645 652901504 /nfs/dbraw/zinc/90/15/04/652901504.db2.gz ZBGOXGKDMDIBLY-UHFFFAOYSA-N 1 2 395.294 2.312 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000766859645 652901508 /nfs/dbraw/zinc/90/15/08/652901508.db2.gz ZBGOXGKDMDIBLY-UHFFFAOYSA-N 1 2 395.294 2.312 20 0 GEADLO CC(C)n1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)n1 ZINC000638666602 652902133 /nfs/dbraw/zinc/90/21/33/652902133.db2.gz PBPWZCFOLLXZRE-UHFFFAOYSA-N 1 2 387.303 2.164 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)o1 ZINC000639154659 652923788 /nfs/dbraw/zinc/92/37/88/652923788.db2.gz MUIWYBWEGJZNBJ-GFCCVEGCSA-N 1 2 387.255 2.303 20 0 GEADLO C[C@@](CO)([NH2+]Cc1nnnn1-c1ccccc1Br)c1ccccc1 ZINC000600645904 652924568 /nfs/dbraw/zinc/92/45/68/652924568.db2.gz MSWRIABYGVGMNP-KRWDZBQOSA-N 1 2 388.269 2.422 20 0 GEADLO CS(=O)(=O)C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000675503662 652930015 /nfs/dbraw/zinc/93/00/15/652930015.db2.gz LKELOISCEBZLAT-LLVKDONJSA-N 1 2 382.309 2.242 20 0 GEADLO O=C1[C@@H]([NH+]2CCN(c3ccc(Br)cn3)CC2)CCN1C1CCC1 ZINC000639442391 652936356 /nfs/dbraw/zinc/93/63/56/652936356.db2.gz STRMLLADFJZRMX-HNNXBMFYSA-N 1 2 379.302 2.120 20 0 GEADLO O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000639548153 652941263 /nfs/dbraw/zinc/94/12/63/652941263.db2.gz YAEZRYKAQUCHAP-HOTGVXAUSA-N 1 2 375.296 2.140 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)Nc1nnc(C(F)F)s1 ZINC000639594060 652943342 /nfs/dbraw/zinc/94/33/42/652943342.db2.gz LEALJSADBXJVMF-UHFFFAOYSA-N 1 2 386.453 2.746 20 0 GEADLO OCC(F)(F)CN1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000639738966 652951593 /nfs/dbraw/zinc/95/15/93/652951593.db2.gz PIVJZQFWGCQCMB-UHFFFAOYSA-N 1 2 379.245 2.073 20 0 GEADLO Brc1cnccc1C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639771364 652953298 /nfs/dbraw/zinc/95/32/98/652953298.db2.gz VLLDMASYMQQIPA-HNNXBMFYSA-N 1 2 386.359 2.484 20 0 GEADLO Brc1cnccc1C[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639771364 652953301 /nfs/dbraw/zinc/95/33/01/652953301.db2.gz VLLDMASYMQQIPA-HNNXBMFYSA-N 1 2 386.359 2.484 20 0 GEADLO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1oc2ccccc2c1Br ZINC000601144952 652956393 /nfs/dbraw/zinc/95/63/93/652956393.db2.gz FXHDBOIUJDJNGW-UWVGGRQHSA-N 1 2 383.242 2.351 20 0 GEADLO O=S1(=O)C2CCC1C[N@H+](CC(O)COc1cc(Cl)cc(Cl)c1)CC2 ZINC000639893651 653087748 /nfs/dbraw/zinc/08/77/48/653087748.db2.gz IWPAGAZVWVRTLJ-BPUTZDHNSA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)C2CCC1C[N@@H+](CC(O)COc1cc(Cl)cc(Cl)c1)CC2 ZINC000639893651 653087751 /nfs/dbraw/zinc/08/77/51/653087751.db2.gz IWPAGAZVWVRTLJ-BPUTZDHNSA-N 1 2 394.320 2.385 20 0 GEADLO C[N@@H+](CC(=O)Nc1nncs1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639918607 653088891 /nfs/dbraw/zinc/08/88/91/653088891.db2.gz MTVYWJILMLTSHA-NSHDSACASA-N 1 2 391.280 2.155 20 0 GEADLO C[N@H+](CC(=O)Nc1nncs1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000639918607 653088895 /nfs/dbraw/zinc/08/88/95/653088895.db2.gz MTVYWJILMLTSHA-NSHDSACASA-N 1 2 391.280 2.155 20 0 GEADLO COc1cc(NC(=O)NC(C)(C)C[NH+]2CCOCC2)ncc1Br ZINC000639962483 653090249 /nfs/dbraw/zinc/09/02/49/653090249.db2.gz JWHIDNOTHCVHGB-UHFFFAOYSA-N 1 2 387.278 2.085 20 0 GEADLO CO[C@H]1C[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@@](C)(CO)C1 ZINC000640005495 653093282 /nfs/dbraw/zinc/09/32/82/653093282.db2.gz WXUQFKRFYLPIAL-RHSMWYFYSA-N 1 2 396.285 2.395 20 0 GEADLO CO[C@H]1C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@@](C)(CO)C1 ZINC000640005495 653093285 /nfs/dbraw/zinc/09/32/85/653093285.db2.gz WXUQFKRFYLPIAL-RHSMWYFYSA-N 1 2 396.285 2.395 20 0 GEADLO Cn1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc(Br)c1=O ZINC000676445119 653096345 /nfs/dbraw/zinc/09/63/45/653096345.db2.gz UIJKLFHHJLJFLK-GFCCVEGCSA-N 1 2 380.246 2.213 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000676702895 653104306 /nfs/dbraw/zinc/10/43/06/653104306.db2.gz ZWTOPLAQYDRJMP-QWHCGFSZSA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000676702895 653104310 /nfs/dbraw/zinc/10/43/10/653104310.db2.gz ZWTOPLAQYDRJMP-QWHCGFSZSA-N 1 2 394.320 2.385 20 0 GEADLO COC[C@H]1CCCC[N@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000768541616 653116551 /nfs/dbraw/zinc/11/65/51/653116551.db2.gz QAGIGLHRNFPJNR-GJZGRUSLSA-N 1 2 389.949 2.453 20 0 GEADLO COC[C@H]1CCCC[N@@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000768541616 653116555 /nfs/dbraw/zinc/11/65/55/653116555.db2.gz QAGIGLHRNFPJNR-GJZGRUSLSA-N 1 2 389.949 2.453 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000768562666 653117656 /nfs/dbraw/zinc/11/76/56/653117656.db2.gz PEQSVHWFTALADI-RKDXNWHRSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000768562666 653117661 /nfs/dbraw/zinc/11/76/61/653117661.db2.gz PEQSVHWFTALADI-RKDXNWHRSA-N 1 2 382.711 2.211 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000805469813 653118285 /nfs/dbraw/zinc/11/82/85/653118285.db2.gz JDNGEWZMAJKATM-IUODEOHRSA-N 1 2 399.285 2.348 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000805469813 653118292 /nfs/dbraw/zinc/11/82/92/653118292.db2.gz JDNGEWZMAJKATM-IUODEOHRSA-N 1 2 399.285 2.348 20 0 GEADLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678140648 653128268 /nfs/dbraw/zinc/12/82/68/653128268.db2.gz FYJDWXSZLUERQN-MRXNPFEDSA-N 1 2 382.917 2.098 20 0 GEADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678140648 653128275 /nfs/dbraw/zinc/12/82/75/653128275.db2.gz FYJDWXSZLUERQN-MRXNPFEDSA-N 1 2 382.917 2.098 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000678141148 653128492 /nfs/dbraw/zinc/12/84/92/653128492.db2.gz LWVROUHXUUWYRP-INIZCTEOSA-N 1 2 382.917 2.348 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000678141148 653128501 /nfs/dbraw/zinc/12/85/01/653128501.db2.gz LWVROUHXUUWYRP-INIZCTEOSA-N 1 2 382.917 2.348 20 0 GEADLO CCSc1nccnc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601854159 653130150 /nfs/dbraw/zinc/13/01/50/653130150.db2.gz FOHNEGZRQHDMCN-UHFFFAOYSA-N 1 2 375.523 2.467 20 0 GEADLO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ncc(Br)s1 ZINC000679067146 653137923 /nfs/dbraw/zinc/13/79/23/653137923.db2.gz QCCISJSOAURBEE-ATZCPNFKSA-N 1 2 384.303 2.484 20 0 GEADLO C[C@H](Cc1cccs1)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000679149861 653139131 /nfs/dbraw/zinc/13/91/31/653139131.db2.gz VAZGFKGXRJMKLQ-CQSZACIVSA-N 1 2 380.539 2.268 20 0 GEADLO O=C(NCCOc1ccc(I)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602151821 653151632 /nfs/dbraw/zinc/15/16/32/653151632.db2.gz RDYMIMVPGLBUIN-CHWSQXEVSA-N 1 2 397.216 2.313 20 0 GEADLO O=C(NCCOc1ccc(I)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602151821 653151641 /nfs/dbraw/zinc/15/16/41/653151641.db2.gz RDYMIMVPGLBUIN-CHWSQXEVSA-N 1 2 397.216 2.313 20 0 GEADLO COc1cc(Cn2cc(C[NH+]3CCC(OC)CC3)nn2)c(Br)cn1 ZINC000641102702 653155695 /nfs/dbraw/zinc/15/56/95/653155695.db2.gz FONVFUBNYMTAHF-UHFFFAOYSA-N 1 2 396.289 2.103 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn(CCc3cc(Cl)ccc3Cl)nn2)C1 ZINC000641113633 653158322 /nfs/dbraw/zinc/15/83/22/653158322.db2.gz JJVLKCMGMSQCJK-CYBMUJFWSA-N 1 2 389.308 2.104 20 0 GEADLO C[C@@H]([NH2+]Cc1csc(-c2cnn(C)c2)n1)c1cccc(S(N)(=O)=O)c1 ZINC000679935102 653159397 /nfs/dbraw/zinc/15/93/97/653159397.db2.gz OBMLOSADCRWXCT-LLVKDONJSA-N 1 2 377.495 2.042 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn(CCc3c(Cl)cccc3Cl)nn2)C1 ZINC000641124421 653159891 /nfs/dbraw/zinc/15/98/91/653159891.db2.gz XNUCNJGVFUTFHJ-NSHDSACASA-N 1 2 389.308 2.104 20 0 GEADLO Brc1ccc2oc(Cn3cc(CC[NH+]4CCOCC4)nn3)nc2c1 ZINC000641130088 653160410 /nfs/dbraw/zinc/16/04/10/653160410.db2.gz IHCRFVMJAWULRO-UHFFFAOYSA-N 1 2 392.257 2.105 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000769542040 653162154 /nfs/dbraw/zinc/16/21/54/653162154.db2.gz YZXJAMMGSVGVHL-AWEZNQCLSA-N 1 2 387.933 2.207 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000769542040 653162158 /nfs/dbraw/zinc/16/21/58/653162158.db2.gz YZXJAMMGSVGVHL-AWEZNQCLSA-N 1 2 387.933 2.207 20 0 GEADLO COCC[N@H+](C)Cc1cn(Cc2ccc(Br)c(F)c2F)nn1 ZINC000641169632 653165444 /nfs/dbraw/zinc/16/54/44/653165444.db2.gz NTQKNMFFCBUHJV-UHFFFAOYSA-N 1 2 375.217 2.445 20 0 GEADLO COCC[N@@H+](C)Cc1cn(Cc2ccc(Br)c(F)c2F)nn1 ZINC000641169632 653165450 /nfs/dbraw/zinc/16/54/50/653165450.db2.gz NTQKNMFFCBUHJV-UHFFFAOYSA-N 1 2 375.217 2.445 20 0 GEADLO C[C@@H]1COCCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000772824302 653167785 /nfs/dbraw/zinc/16/77/85/653167785.db2.gz LWGDYHFBDGWICM-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1COCCC[N@H+]1CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000772824302 653167786 /nfs/dbraw/zinc/16/77/86/653167786.db2.gz LWGDYHFBDGWICM-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1COCCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000772825668 653167854 /nfs/dbraw/zinc/16/78/54/653167854.db2.gz WUBKVZHXMHIBIM-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1COCCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000772825668 653167858 /nfs/dbraw/zinc/16/78/58/653167858.db2.gz WUBKVZHXMHIBIM-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO Cc1ccc(Cl)cc1N1CC[C@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641313054 653184536 /nfs/dbraw/zinc/18/45/36/653184536.db2.gz IDRCKLDASSSWTA-OAHLLOKOSA-N 1 2 382.917 2.291 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCc2c(F)cc(Br)cc2C1 ZINC000641379577 653195443 /nfs/dbraw/zinc/19/54/43/653195443.db2.gz HZKMBMPZBNUIRI-UHFFFAOYSA-N 1 2 388.262 2.173 20 0 GEADLO CCOC(=O)c1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)[nH]1 ZINC000602647681 653197677 /nfs/dbraw/zinc/19/76/77/653197677.db2.gz KDLSSIPHYCRLLC-CQSZACIVSA-N 1 2 380.242 2.270 20 0 GEADLO C[C@@H](NC(=O)c1cnc2ncc(Br)cc2c1)[C@@H](C)[NH+]1CCOCC1 ZINC000681986804 653201144 /nfs/dbraw/zinc/20/11/44/653201144.db2.gz YPSNOJAPTQWBJH-VXGBXAGGSA-N 1 2 393.285 2.231 20 0 GEADLO C[C@]1(CO)C[N@@H+](Cc2ccc(I)s2)C[C@@]1(C)CO ZINC000602725865 653202860 /nfs/dbraw/zinc/20/28/60/653202860.db2.gz MPBFKOFXTFFWOJ-BETUJISGSA-N 1 2 381.279 2.166 20 0 GEADLO C[C@]1(CO)C[N@H+](Cc2ccc(I)s2)C[C@@]1(C)CO ZINC000602725865 653202871 /nfs/dbraw/zinc/20/28/71/653202871.db2.gz MPBFKOFXTFFWOJ-BETUJISGSA-N 1 2 381.279 2.166 20 0 GEADLO CC(C)[NH+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000602739655 653204128 /nfs/dbraw/zinc/20/41/28/653204128.db2.gz KGITXJWNAARAOM-UHFFFAOYSA-N 1 2 378.270 2.457 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770285694 653207823 /nfs/dbraw/zinc/20/78/23/653207823.db2.gz IVIYPMPHVXWMQR-IIAWOOMASA-N 1 2 387.933 2.205 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770285694 653207825 /nfs/dbraw/zinc/20/78/25/653207825.db2.gz IVIYPMPHVXWMQR-IIAWOOMASA-N 1 2 387.933 2.205 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602802190 653207792 /nfs/dbraw/zinc/20/77/92/653207792.db2.gz OYMWYMZKJPCPQR-LZWOXQAQSA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602802190 653207794 /nfs/dbraw/zinc/20/77/94/653207794.db2.gz OYMWYMZKJPCPQR-LZWOXQAQSA-N 1 2 392.279 2.386 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000641514565 653216686 /nfs/dbraw/zinc/21/66/86/653216686.db2.gz NZSNSQIRJDGLEU-UHFFFAOYSA-N 1 2 375.372 2.390 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000770723301 653222631 /nfs/dbraw/zinc/22/26/31/653222631.db2.gz NPHXEQXDZIQGTC-UWVGGRQHSA-N 1 2 395.294 2.310 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000770723301 653222636 /nfs/dbraw/zinc/22/26/36/653222636.db2.gz NPHXEQXDZIQGTC-UWVGGRQHSA-N 1 2 395.294 2.310 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cn2ccc(-c3cccs3)n2)C1)C1CC1 ZINC000808226312 653223384 /nfs/dbraw/zinc/22/33/84/653223384.db2.gz LJOZPTMFMCHSQY-AWEZNQCLSA-N 1 2 380.539 2.363 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cn2ccc(-c3cccs3)n2)C1)C1CC1 ZINC000808226312 653223391 /nfs/dbraw/zinc/22/33/91/653223391.db2.gz LJOZPTMFMCHSQY-AWEZNQCLSA-N 1 2 380.539 2.363 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641593357 653223521 /nfs/dbraw/zinc/22/35/21/653223521.db2.gz PRDJLMAXYAJMLD-UHFFFAOYSA-N 1 2 389.905 2.022 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641593357 653223525 /nfs/dbraw/zinc/22/35/25/653223525.db2.gz PRDJLMAXYAJMLD-UHFFFAOYSA-N 1 2 389.905 2.022 20 0 GEADLO O=C(COC(=O)c1cnccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000771063984 653230344 /nfs/dbraw/zinc/23/03/44/653230344.db2.gz LTNYGXOZNOJXLY-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO O=S(=O)(NCC(F)(F)Br)c1ccccc1Cn1cc[nH+]c1 ZINC000808573721 653232192 /nfs/dbraw/zinc/23/21/92/653232192.db2.gz ILHRZDYYWGVIOD-UHFFFAOYSA-N 1 2 380.214 2.197 20 0 GEADLO C[C@H](Nc1ncc(Cn2cc(Br)cn2)s1)[C@H]1C[N@H+](C)CCO1 ZINC000683749937 653240099 /nfs/dbraw/zinc/24/00/99/653240099.db2.gz DWZOCMMEMBNXSU-GXFFZTMASA-N 1 2 386.319 2.281 20 0 GEADLO C[C@H](Nc1ncc(Cn2cc(Br)cn2)s1)[C@H]1C[N@@H+](C)CCO1 ZINC000683749937 653240105 /nfs/dbraw/zinc/24/01/05/653240105.db2.gz DWZOCMMEMBNXSU-GXFFZTMASA-N 1 2 386.319 2.281 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnc2ncc(Br)cc2c1 ZINC000684070254 653253278 /nfs/dbraw/zinc/25/32/78/653253278.db2.gz CGLURPIQPMTREE-LBPRGKRZSA-N 1 2 393.285 2.185 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000809556627 653282086 /nfs/dbraw/zinc/28/20/86/653282086.db2.gz MRTFTAXUJIZMND-LLVKDONJSA-N 1 2 383.495 2.029 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000809556627 653282090 /nfs/dbraw/zinc/28/20/90/653282090.db2.gz MRTFTAXUJIZMND-LLVKDONJSA-N 1 2 383.495 2.029 20 0 GEADLO NC(=O)COc1cccc(C[NH2+]Cc2nc3ccccn3c2Br)c1 ZINC000809623768 653283835 /nfs/dbraw/zinc/28/38/35/653283835.db2.gz CBSSLEZKWZFBOC-UHFFFAOYSA-N 1 2 389.253 2.251 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(Br)cc(C)c1C ZINC000857183771 653295289 /nfs/dbraw/zinc/29/52/89/653295289.db2.gz NIAVUURXAOQEPR-AWEZNQCLSA-N 1 2 380.242 2.234 20 0 GEADLO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000775178649 653301083 /nfs/dbraw/zinc/30/10/83/653301083.db2.gz CCHIUIZTDWBCJQ-CQSZACIVSA-N 1 2 387.311 2.212 20 0 GEADLO Cc1ccc(Sc2nsc(NC(=O)N3CC[NH+](CCO)CC3)n2)cc1 ZINC000685658837 653311600 /nfs/dbraw/zinc/31/16/00/653311600.db2.gz UCEPIDXELHIPSW-UHFFFAOYSA-N 1 2 379.511 2.140 20 0 GEADLO C[N@@H+]1CCN(C(=O)NC[C@@H]2CC2(Cl)Cl)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775405221 653312872 /nfs/dbraw/zinc/31/28/72/653312872.db2.gz BBRHCCVHJHBLRV-RYUDHWBXSA-N 1 2 395.331 2.031 20 0 GEADLO C[N@H+]1CCN(C(=O)NC[C@@H]2CC2(Cl)Cl)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775405221 653312874 /nfs/dbraw/zinc/31/28/74/653312874.db2.gz BBRHCCVHJHBLRV-RYUDHWBXSA-N 1 2 395.331 2.031 20 0 GEADLO CC(C)N1C(=S)N=NC1CCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000874449405 653320008 /nfs/dbraw/zinc/32/00/08/653320008.db2.gz OSKIAUHMBOKIHR-SNVBAGLBSA-N 1 2 376.408 2.197 20 0 GEADLO Cc1cc(Br)nc(NC(=O)C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000836037950 653326293 /nfs/dbraw/zinc/32/62/93/653326293.db2.gz MRLJIMKXQFIDIV-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000874698355 653333037 /nfs/dbraw/zinc/33/30/37/653333037.db2.gz BQMOUKDFOOXYGQ-ZDUSSCGKSA-N 1 2 377.432 2.420 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000874698355 653333048 /nfs/dbraw/zinc/33/30/48/653333048.db2.gz BQMOUKDFOOXYGQ-ZDUSSCGKSA-N 1 2 377.432 2.420 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc2c(cc1Br)OCO2 ZINC000874710543 653333841 /nfs/dbraw/zinc/33/38/41/653333841.db2.gz QIJCYLPLVFFDHM-LLVKDONJSA-N 1 2 385.258 2.018 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc2c(cc1Br)OCO2 ZINC000874710543 653333845 /nfs/dbraw/zinc/33/38/45/653333845.db2.gz QIJCYLPLVFFDHM-LLVKDONJSA-N 1 2 385.258 2.018 20 0 GEADLO Cc1cc(C)c(C(=O)NC2CC[NH+](CCn3cnc(Br)n3)CC2)o1 ZINC000857809829 653340207 /nfs/dbraw/zinc/34/02/07/653340207.db2.gz WLHUYFDGCZTZPO-UHFFFAOYSA-N 1 2 396.289 2.145 20 0 GEADLO C[C@]1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1(Cl)Cl ZINC000836249153 653340760 /nfs/dbraw/zinc/34/07/60/653340760.db2.gz HTLOHPPGLHAPCM-KGLIPLIRSA-N 1 2 382.357 2.077 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874891556 653341413 /nfs/dbraw/zinc/34/14/13/653341413.db2.gz OESWDFSUYFSGFE-AWEZNQCLSA-N 1 2 394.244 2.404 20 0 GEADLO COc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)c(I)c1 ZINC000857983826 653346128 /nfs/dbraw/zinc/34/61/28/653346128.db2.gz VYWBQFZZQQFPFD-LBPRGKRZSA-N 1 2 383.189 2.371 20 0 GEADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)nc1 ZINC000858045457 653347527 /nfs/dbraw/zinc/34/75/27/653347527.db2.gz SYGUVTJBHBZROK-CQSZACIVSA-N 1 2 381.523 2.355 20 0 GEADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)nc1 ZINC000858045457 653347531 /nfs/dbraw/zinc/34/75/31/653347531.db2.gz SYGUVTJBHBZROK-CQSZACIVSA-N 1 2 381.523 2.355 20 0 GEADLO C[C@H]([NH2+]Cc1cn(C)nc1Br)c1cccc(NS(C)(=O)=O)c1 ZINC000858115607 653348786 /nfs/dbraw/zinc/34/87/86/653348786.db2.gz NEZHMNOOOMWSEI-JTQLQIEISA-N 1 2 387.303 2.405 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CCO1 ZINC000875194357 653357310 /nfs/dbraw/zinc/35/73/10/653357310.db2.gz IXYAUWJPMFSGGU-JTQLQIEISA-N 1 2 380.798 2.274 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CCO1 ZINC000875194357 653357313 /nfs/dbraw/zinc/35/73/13/653357313.db2.gz IXYAUWJPMFSGGU-JTQLQIEISA-N 1 2 380.798 2.274 20 0 GEADLO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)NCc1c[nH+]cn1C ZINC000875591264 653378942 /nfs/dbraw/zinc/37/89/42/653378942.db2.gz IIQOEYVBRUJMMR-AWEZNQCLSA-N 1 2 387.267 2.308 20 0 GEADLO O=S(=O)(c1ccc(Br)nc1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000859057429 653398856 /nfs/dbraw/zinc/39/88/56/653398856.db2.gz GFQNGWQXNUJCFL-SECBINFHSA-N 1 2 389.250 2.275 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000837153890 653404771 /nfs/dbraw/zinc/40/47/71/653404771.db2.gz HFLIBLRPMQTPEF-SWLSCSKDSA-N 1 2 378.270 2.400 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000837156577 653405681 /nfs/dbraw/zinc/40/56/81/653405681.db2.gz SFTZZYVBISTFMY-IUODEOHRSA-N 1 2 378.270 2.400 20 0 GEADLO O=S(=O)(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(Br)nc1F ZINC000859135331 653411812 /nfs/dbraw/zinc/41/18/12/653411812.db2.gz SBOILRVGSCIGCQ-LLVKDONJSA-N 1 2 392.294 2.278 20 0 GEADLO O=S(=O)(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(Br)nc1F ZINC000859135331 653411815 /nfs/dbraw/zinc/41/18/15/653411815.db2.gz SBOILRVGSCIGCQ-LLVKDONJSA-N 1 2 392.294 2.278 20 0 GEADLO CC[N@H+](CCOC)Cn1c2ccc(I)cc2oc1=O ZINC000777954374 653413786 /nfs/dbraw/zinc/41/37/86/653413786.db2.gz WMCRIUHRPDWCPH-UHFFFAOYSA-N 1 2 376.194 2.125 20 0 GEADLO CC[N@@H+](CCOC)Cn1c2ccc(I)cc2oc1=O ZINC000777954374 653413788 /nfs/dbraw/zinc/41/37/88/653413788.db2.gz WMCRIUHRPDWCPH-UHFFFAOYSA-N 1 2 376.194 2.125 20 0 GEADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2c(Cl)ccnc2Cl)C[C@@H](C)O1 ZINC000777963115 653414123 /nfs/dbraw/zinc/41/41/23/653414123.db2.gz HDDLESASBFZPIF-GHMZBOCLSA-N 1 2 382.313 2.166 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000876261432 653415956 /nfs/dbraw/zinc/41/59/56/653415956.db2.gz GVRFCZDNZJODKX-IXDOHACOSA-N 1 2 394.313 2.061 20 0 GEADLO CC[N@H+](CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O)[C@H]1CCOC1 ZINC000812295880 653420962 /nfs/dbraw/zinc/42/09/62/653420962.db2.gz KQHFNNRMRJJKJY-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO CC[N@@H+](CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O)[C@H]1CCOC1 ZINC000812295880 653420967 /nfs/dbraw/zinc/42/09/67/653420967.db2.gz KQHFNNRMRJJKJY-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000876513107 653433436 /nfs/dbraw/zinc/43/34/36/653433436.db2.gz HQPLGQVKHQEVFJ-NSHDSACASA-N 1 2 384.395 2.486 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000876513107 653433438 /nfs/dbraw/zinc/43/34/38/653433438.db2.gz HQPLGQVKHQEVFJ-NSHDSACASA-N 1 2 384.395 2.486 20 0 GEADLO CC[N@H+](Cc1ccc(C(=O)OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000876533631 653434646 /nfs/dbraw/zinc/43/46/46/653434646.db2.gz JRFRDMYCEQMYTK-LBPRGKRZSA-N 1 2 390.299 2.245 20 0 GEADLO CC[N@@H+](Cc1ccc(C(=O)OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000876533631 653434655 /nfs/dbraw/zinc/43/46/55/653434655.db2.gz JRFRDMYCEQMYTK-LBPRGKRZSA-N 1 2 390.299 2.245 20 0 GEADLO Fc1cccc(CN2CC[C@@H]([NH+]3CCOCC3)C2)c1I ZINC000876619198 653438154 /nfs/dbraw/zinc/43/81/54/653438154.db2.gz QKLITCINLLPDAE-CYBMUJFWSA-N 1 2 390.240 2.337 20 0 GEADLO Fc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1I ZINC000876619198 653438158 /nfs/dbraw/zinc/43/81/58/653438158.db2.gz QKLITCINLLPDAE-CYBMUJFWSA-N 1 2 390.240 2.337 20 0 GEADLO Fc1cccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1I ZINC000876619198 653438162 /nfs/dbraw/zinc/43/81/62/653438162.db2.gz QKLITCINLLPDAE-CYBMUJFWSA-N 1 2 390.240 2.337 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1Br ZINC000876625509 653438674 /nfs/dbraw/zinc/43/86/74/653438674.db2.gz XFNQSVHWIYNTAM-CYBMUJFWSA-N 1 2 396.285 2.225 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1Br ZINC000876625509 653438677 /nfs/dbraw/zinc/43/86/77/653438677.db2.gz XFNQSVHWIYNTAM-CYBMUJFWSA-N 1 2 396.285 2.225 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCc2ccc(Cl)c(F)c2)CC1 ZINC000859310511 653438987 /nfs/dbraw/zinc/43/89/87/653438987.db2.gz PPNGSBRBCSHQAR-UHFFFAOYSA-N 1 2 390.908 2.037 20 0 GEADLO Cc1ccnc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c1Br ZINC000876636736 653440188 /nfs/dbraw/zinc/44/01/88/653440188.db2.gz LPHCZHKFFZIMGH-AWEZNQCLSA-N 1 2 375.307 2.387 20 0 GEADLO Cc1ccnc(C[N@H+](C)C[C@H](O)COCCOC(C)C)c1Br ZINC000876636736 653440192 /nfs/dbraw/zinc/44/01/92/653440192.db2.gz LPHCZHKFFZIMGH-AWEZNQCLSA-N 1 2 375.307 2.387 20 0 GEADLO COc1cc(CN2CC[NH+](CC[S@](C)=O)CC2)c(F)cc1Br ZINC000876763116 653446544 /nfs/dbraw/zinc/44/65/44/653446544.db2.gz NIKNLSWIMYSMBM-QFIPXVFZSA-N 1 2 393.322 2.093 20 0 GEADLO CC[C@H]([NH2+]Cc1nc(Cl)ccc1Br)C(=O)N1CCOCC1 ZINC000877076829 653464814 /nfs/dbraw/zinc/46/48/14/653464814.db2.gz ROKSQCKLPUCSHT-NSHDSACASA-N 1 2 376.682 2.225 20 0 GEADLO Cc1ccnc(C2CC[NH+](Cc3ccc(Cl)c(S(N)(=O)=O)c3)CC2)n1 ZINC000877331150 653476660 /nfs/dbraw/zinc/47/66/60/653476660.db2.gz LLAZDQUXPJCSGG-UHFFFAOYSA-N 1 2 380.901 2.465 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1CCOc2c(Br)cccc21 ZINC000813357696 653476942 /nfs/dbraw/zinc/47/69/42/653476942.db2.gz RVWPPYJNQTWVQL-QWHCGFSZSA-N 1 2 391.225 2.159 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1CCOc2c(Br)cccc21 ZINC000813357696 653476945 /nfs/dbraw/zinc/47/69/45/653476945.db2.gz RVWPPYJNQTWVQL-QWHCGFSZSA-N 1 2 391.225 2.159 20 0 GEADLO O=C1NCC2(CC[NH+](Cc3ccc(I)s3)CC2)O1 ZINC000877461014 653522499 /nfs/dbraw/zinc/52/24/99/653522499.db2.gz WCXYOXDCUMFAPJ-UHFFFAOYSA-N 1 2 378.235 2.427 20 0 GEADLO CC(C)(C)n1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c(Br)n1 ZINC000779739265 653602569 /nfs/dbraw/zinc/60/25/69/653602569.db2.gz MMRKAAYHCBVWEI-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)c(S(N)(=O)=O)c3)C2)nc1 ZINC000877657634 653615536 /nfs/dbraw/zinc/61/55/36/653615536.db2.gz GIJRKHLFRLIIBP-CQSZACIVSA-N 1 2 381.885 2.344 20 0 GEADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)c(S(N)(=O)=O)c3)C2)nc1 ZINC000877657634 653615542 /nfs/dbraw/zinc/61/55/42/653615542.db2.gz GIJRKHLFRLIIBP-CQSZACIVSA-N 1 2 381.885 2.344 20 0 GEADLO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(OC)cc3Br)C2)C1 ZINC000877712261 653617565 /nfs/dbraw/zinc/61/75/65/653617565.db2.gz HQUHSTCOWGFHLQ-INIZCTEOSA-N 1 2 383.242 2.352 20 0 GEADLO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc(OC)cc3Br)C2)C1 ZINC000877712261 653617566 /nfs/dbraw/zinc/61/75/66/653617566.db2.gz HQUHSTCOWGFHLQ-INIZCTEOSA-N 1 2 383.242 2.352 20 0 GEADLO COC(=O)c1csc(C[NH2+]Cc2c(I)cnn2C)c1 ZINC000877775365 653619139 /nfs/dbraw/zinc/61/91/39/653619139.db2.gz TVGISVFRCNAKIC-UHFFFAOYSA-N 1 2 391.234 2.163 20 0 GEADLO O=C(NCC1C[NH+](Cc2ccccc2I)C1)C(F)(F)F ZINC000877777720 653619658 /nfs/dbraw/zinc/61/96/58/653619658.db2.gz CQUYSXOTIGAMJP-UHFFFAOYSA-N 1 2 398.166 2.402 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)c[nH+]c12 ZINC000877790729 653620438 /nfs/dbraw/zinc/62/04/38/653620438.db2.gz GNFHZQQSXBPEKQ-OLZOCXBDSA-N 1 2 398.326 2.272 20 0 GEADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000877799901 653621167 /nfs/dbraw/zinc/62/11/67/653621167.db2.gz UWWNTHKMSRGELM-AGIUHOORSA-N 1 2 389.327 2.359 20 0 GEADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000877799901 653621169 /nfs/dbraw/zinc/62/11/69/653621169.db2.gz UWWNTHKMSRGELM-AGIUHOORSA-N 1 2 389.327 2.359 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NOCc2ccc(F)cc2Br)CCO1 ZINC000780371471 653624802 /nfs/dbraw/zinc/62/48/02/653624802.db2.gz ZAQDZDXWOCOPGQ-LLVKDONJSA-N 1 2 390.253 2.040 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NOCc2ccc(F)cc2Br)CCO1 ZINC000780371471 653624805 /nfs/dbraw/zinc/62/48/05/653624805.db2.gz ZAQDZDXWOCOPGQ-LLVKDONJSA-N 1 2 390.253 2.040 20 0 GEADLO CC(=O)Nc1cccc2c1CC[N@H+](C[C@@H](O)c1cc(Br)no1)C2 ZINC000877986356 653625164 /nfs/dbraw/zinc/62/51/64/653625164.db2.gz JYELOBSMXHJBLM-CQSZACIVSA-N 1 2 380.242 2.487 20 0 GEADLO CC(=O)Nc1cccc2c1CC[N@@H+](C[C@@H](O)c1cc(Br)no1)C2 ZINC000877986356 653625166 /nfs/dbraw/zinc/62/51/66/653625166.db2.gz JYELOBSMXHJBLM-CQSZACIVSA-N 1 2 380.242 2.487 20 0 GEADLO Cc1nc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)sc1Br ZINC000878080288 653627981 /nfs/dbraw/zinc/62/79/81/653627981.db2.gz USVGIGLSXHWTMM-LBPRGKRZSA-N 1 2 381.336 2.448 20 0 GEADLO Cc1nc(C[N@H+](C)C[C@H](O)COCCOC(C)C)sc1Br ZINC000878080288 653627983 /nfs/dbraw/zinc/62/79/83/653627983.db2.gz USVGIGLSXHWTMM-LBPRGKRZSA-N 1 2 381.336 2.448 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(Cl)c3nonc32)C1 ZINC000814388613 653629332 /nfs/dbraw/zinc/62/93/32/653629332.db2.gz NGIAOMRIRMZKLC-ZDUSSCGKSA-N 1 2 378.841 2.341 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(Cl)c3nonc32)C1 ZINC000814388613 653629334 /nfs/dbraw/zinc/62/93/34/653629334.db2.gz NGIAOMRIRMZKLC-ZDUSSCGKSA-N 1 2 378.841 2.341 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@H](O)c2cc(Br)no2)CC1 ZINC000878129834 653629487 /nfs/dbraw/zinc/62/94/87/653629487.db2.gz BYRSQULFLSFUND-JSGCOSHPSA-N 1 2 381.274 2.244 20 0 GEADLO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)N=S(C)(C)=O ZINC000878242022 653632500 /nfs/dbraw/zinc/63/25/00/653632500.db2.gz DUABKFJZKTVDIV-DYVFJYSZSA-N 1 2 375.535 2.304 20 0 GEADLO Cn1cc(Br)c(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000814456941 653632835 /nfs/dbraw/zinc/63/28/35/653632835.db2.gz KZBCDPHBTZXCFI-MRXNPFEDSA-N 1 2 394.269 2.127 20 0 GEADLO Cn1cc(Br)c(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000814456941 653632839 /nfs/dbraw/zinc/63/28/39/653632839.db2.gz KZBCDPHBTZXCFI-MRXNPFEDSA-N 1 2 394.269 2.127 20 0 GEADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878616379 653642675 /nfs/dbraw/zinc/64/26/75/653642675.db2.gz MVRRZAJTYXWXBH-RYUDHWBXSA-N 1 2 390.278 2.461 20 0 GEADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878616379 653642677 /nfs/dbraw/zinc/64/26/77/653642677.db2.gz MVRRZAJTYXWXBH-RYUDHWBXSA-N 1 2 390.278 2.461 20 0 GEADLO C[C@@](O)(C[N@@H+]1CCN2C(=O)OC[C@H]2C1)c1ccc(Br)cc1Cl ZINC000815061944 653649071 /nfs/dbraw/zinc/64/90/71/653649071.db2.gz BZXWOEVGEYPUBW-IAQYHMDHSA-N 1 2 389.677 2.446 20 0 GEADLO C[C@@](O)(C[N@H+]1CCN2C(=O)OC[C@H]2C1)c1ccc(Br)cc1Cl ZINC000815061944 653649072 /nfs/dbraw/zinc/64/90/72/653649072.db2.gz BZXWOEVGEYPUBW-IAQYHMDHSA-N 1 2 389.677 2.446 20 0 GEADLO C[C@@]([NH2+]CCS(=O)(=O)Cc1ccccc1)(C(N)=O)c1cccc(Cl)c1 ZINC000839522494 653653748 /nfs/dbraw/zinc/65/37/48/653653748.db2.gz WJTSWGXJJUNBGE-SFHVURJKSA-N 1 2 380.897 2.245 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3ncccc3Br)C2)n1 ZINC000879018075 653655285 /nfs/dbraw/zinc/65/52/85/653655285.db2.gz QFAYWIDJSNXAEE-MRXNPFEDSA-N 1 2 381.274 2.359 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3ncccc3Br)C2)n1 ZINC000879018075 653655287 /nfs/dbraw/zinc/65/52/87/653655287.db2.gz QFAYWIDJSNXAEE-MRXNPFEDSA-N 1 2 381.274 2.359 20 0 GEADLO CNC(=O)CCOC1CC[NH+](Cc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000782476758 653662201 /nfs/dbraw/zinc/66/22/01/653662201.db2.gz GVSQKUGEUUJDFQ-UHFFFAOYSA-N 1 2 382.814 2.209 20 0 GEADLO Cc1ccc(NC(=O)c2c(I)cnn2C)c(N(C)C)[nH+]1 ZINC000815860038 653666982 /nfs/dbraw/zinc/66/69/82/653666982.db2.gz VFMFWSGBILIGJX-UHFFFAOYSA-N 1 2 385.209 2.046 20 0 GEADLO CC[N@@H+](Cc1cccc(Br)c1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000839977892 653670994 /nfs/dbraw/zinc/67/09/94/653670994.db2.gz LXLOXTCISCPBKO-MRXNPFEDSA-N 1 2 397.313 2.228 20 0 GEADLO CC[N@H+](Cc1cccc(Br)c1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000839977892 653670997 /nfs/dbraw/zinc/67/09/97/653670997.db2.gz LXLOXTCISCPBKO-MRXNPFEDSA-N 1 2 397.313 2.228 20 0 GEADLO Cc1cc(Br)ccc1C[N@H+](C)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000840054583 653672659 /nfs/dbraw/zinc/67/26/59/653672659.db2.gz JZVKBTCVHKMRBA-MRXNPFEDSA-N 1 2 397.313 2.147 20 0 GEADLO Cc1cc(Br)ccc1C[N@@H+](C)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000840054583 653672663 /nfs/dbraw/zinc/67/26/63/653672663.db2.gz JZVKBTCVHKMRBA-MRXNPFEDSA-N 1 2 397.313 2.147 20 0 GEADLO COC(=O)c1sc2[nH]c(C[N@@H+]3CC[C@H]4CSC[C@H]4C3)nc(=O)c2c1C ZINC000879561643 653673195 /nfs/dbraw/zinc/67/31/95/653673195.db2.gz RQELMRBDUDVEEG-WDEREUQCSA-N 1 2 379.507 2.265 20 0 GEADLO COC(=O)c1sc2[nH]c(C[N@H+]3CC[C@H]4CSC[C@H]4C3)nc(=O)c2c1C ZINC000879561643 653673199 /nfs/dbraw/zinc/67/31/99/653673199.db2.gz RQELMRBDUDVEEG-WDEREUQCSA-N 1 2 379.507 2.265 20 0 GEADLO CC1(C)C[C@@H](O)C[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000879620052 653674417 /nfs/dbraw/zinc/67/44/17/653674417.db2.gz IZROMFKAEFKVIG-CYBMUJFWSA-N 1 2 376.316 2.316 20 0 GEADLO CC1(C)C[C@@H](O)C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000879620052 653674420 /nfs/dbraw/zinc/67/44/20/653674420.db2.gz IZROMFKAEFKVIG-CYBMUJFWSA-N 1 2 376.316 2.316 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862244908 653681432 /nfs/dbraw/zinc/68/14/32/653681432.db2.gz GWPOMJLRMOYNCZ-CHWSQXEVSA-N 1 2 384.489 2.386 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862244908 653681435 /nfs/dbraw/zinc/68/14/35/653681435.db2.gz GWPOMJLRMOYNCZ-CHWSQXEVSA-N 1 2 384.489 2.386 20 0 GEADLO CC[N@H+](C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C)CS(C)(=O)=O ZINC000862245854 653681453 /nfs/dbraw/zinc/68/14/53/653681453.db2.gz ZOZKDGDBESUHTF-UONOGXRCSA-N 1 2 378.535 2.113 20 0 GEADLO CC[N@@H+](C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C)CS(C)(=O)=O ZINC000862245854 653681455 /nfs/dbraw/zinc/68/14/55/653681455.db2.gz ZOZKDGDBESUHTF-UONOGXRCSA-N 1 2 378.535 2.113 20 0 GEADLO O=C1NC(=O)[C@@H]2C[N@H+](Cc3c(F)ccc(C(F)(F)F)c3Br)C[C@H]12 ZINC000862386034 653685006 /nfs/dbraw/zinc/68/50/06/653685006.db2.gz SPINPWOHARDQTQ-KNVOCYPGSA-N 1 2 395.150 2.311 20 0 GEADLO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3c(F)ccc(C(F)(F)F)c3Br)C[C@H]12 ZINC000862386034 653685007 /nfs/dbraw/zinc/68/50/07/653685007.db2.gz SPINPWOHARDQTQ-KNVOCYPGSA-N 1 2 395.150 2.311 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C2 ZINC000816563723 653687971 /nfs/dbraw/zinc/68/79/71/653687971.db2.gz IEUHSNYDPGOGEZ-NSHDSACASA-N 1 2 383.279 2.360 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCCS(C)(=O)=O)C[C@@H]1C(F)(F)F ZINC000880024743 653692841 /nfs/dbraw/zinc/69/28/41/653692841.db2.gz NJUXKEHVESXPMH-RYUDHWBXSA-N 1 2 388.452 2.056 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@@H]1C(F)(F)F ZINC000880024743 653692842 /nfs/dbraw/zinc/69/28/42/653692842.db2.gz NJUXKEHVESXPMH-RYUDHWBXSA-N 1 2 388.452 2.056 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)c1cc(S(C)(=O)=O)ncc1Cl)c1cccs1 ZINC000816816050 653693819 /nfs/dbraw/zinc/69/38/19/653693819.db2.gz LDPRUFLQZKECLO-LBPRGKRZSA-N 1 2 387.914 2.233 20 0 GEADLO O=C(C[N@H+]1CCCN(C(=O)c2nc(Cl)sc2Cl)CC1)N1CCCC1 ZINC000816847040 653694668 /nfs/dbraw/zinc/69/46/68/653694668.db2.gz QGRVEEJYDIKKSR-UHFFFAOYSA-N 1 2 391.324 2.220 20 0 GEADLO O=C(C[N@@H+]1CCCN(C(=O)c2nc(Cl)sc2Cl)CC1)N1CCCC1 ZINC000816847040 653694670 /nfs/dbraw/zinc/69/46/70/653694670.db2.gz QGRVEEJYDIKKSR-UHFFFAOYSA-N 1 2 391.324 2.220 20 0 GEADLO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)NCc2cccs2)C[C@H]1C(F)(F)F ZINC000880155356 653699460 /nfs/dbraw/zinc/69/94/60/653699460.db2.gz SCFIIYSJYJJNEE-RAIGVLPGSA-N 1 2 378.416 2.426 20 0 GEADLO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)NCc2cccs2)C[C@H]1C(F)(F)F ZINC000880155356 653699463 /nfs/dbraw/zinc/69/94/63/653699463.db2.gz SCFIIYSJYJJNEE-RAIGVLPGSA-N 1 2 378.416 2.426 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)COc1ccc(F)cc1Br ZINC000784920033 653701435 /nfs/dbraw/zinc/70/14/35/653701435.db2.gz XRYGWPGFOAGNOD-LLVKDONJSA-N 1 2 376.222 2.231 20 0 GEADLO CC[C@@H](Sc1nc(CC(=O)NCc2c[nH+]c(C)cc2C)cs1)C(N)=O ZINC000880241298 653701718 /nfs/dbraw/zinc/70/17/18/653701718.db2.gz VINYOKSJWPWOOT-CQSZACIVSA-N 1 2 378.523 2.370 20 0 GEADLO Cn1ncc(Br)c1C(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817191925 653705926 /nfs/dbraw/zinc/70/59/26/653705926.db2.gz ZRULKHZJDONIDR-UHFFFAOYSA-N 1 2 394.269 2.372 20 0 GEADLO CC(=O)c1ccc(Br)c(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000880806784 653715196 /nfs/dbraw/zinc/71/51/96/653715196.db2.gz LDKBKSCLJODDGM-LLVKDONJSA-N 1 2 384.274 2.182 20 0 GEADLO CC(=O)c1ccc(Br)c(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000880806784 653715198 /nfs/dbraw/zinc/71/51/98/653715198.db2.gz LDKBKSCLJODDGM-LLVKDONJSA-N 1 2 384.274 2.182 20 0 GEADLO C[C@@H](Cc1ccccc1)NC(=S)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000786069118 653718434 /nfs/dbraw/zinc/71/84/34/653718434.db2.gz PPFOKMVGCQUFJG-QFBILLFUSA-N 1 2 379.595 2.290 20 0 GEADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863759888 653719640 /nfs/dbraw/zinc/71/96/40/653719640.db2.gz MJEKKCWHQOVCBN-BMFZPTHFSA-N 1 2 393.281 2.217 20 0 GEADLO O=S(=O)(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cccc2scnc21 ZINC000841505467 653722824 /nfs/dbraw/zinc/72/28/24/653722824.db2.gz HMHVKGUDAKDESH-UONOGXRCSA-N 1 2 381.523 2.218 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000864414746 653735323 /nfs/dbraw/zinc/73/53/23/653735323.db2.gz WIVOPLVPKWIJTM-SUMWQHHRSA-N 1 2 395.301 2.327 20 0 GEADLO CCOCCOCC[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000787237184 653735747 /nfs/dbraw/zinc/73/57/47/653735747.db2.gz PIEZPVYBGZQXIH-INIZCTEOSA-N 1 2 389.905 2.111 20 0 GEADLO CCOCCOCC[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000787237184 653735749 /nfs/dbraw/zinc/73/57/49/653735749.db2.gz PIEZPVYBGZQXIH-INIZCTEOSA-N 1 2 389.905 2.111 20 0 GEADLO CCCC(=O)NCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787388891 653738085 /nfs/dbraw/zinc/73/80/85/653738085.db2.gz FBCBHJATIKJXJY-UHFFFAOYSA-N 1 2 397.317 2.056 20 0 GEADLO Cc1n[nH]cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787534240 653739577 /nfs/dbraw/zinc/73/95/77/653739577.db2.gz VKBCVSRBRZZVMT-UHFFFAOYSA-N 1 2 378.274 2.485 20 0 GEADLO COC(=O)C1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)CC1 ZINC000787533620 653739707 /nfs/dbraw/zinc/73/97/07/653739707.db2.gz PVVAAZKILVGHHS-UHFFFAOYSA-N 1 2 396.285 2.093 20 0 GEADLO CC(C)n1ncc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1Br ZINC000864536767 653740617 /nfs/dbraw/zinc/74/06/17/653740617.db2.gz OKKFUNYWJUOWCT-ZDUSSCGKSA-N 1 2 385.306 2.163 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)CC[C@H]2CC2(Cl)Cl)C[C@@H](C)O1 ZINC000881812229 653741102 /nfs/dbraw/zinc/74/11/02/653741102.db2.gz YRZFLLWYRUXSKG-KBXIAJHMSA-N 1 2 399.384 2.474 20 0 GEADLO COC(=O)CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787668309 653741830 /nfs/dbraw/zinc/74/18/30/653741830.db2.gz HACPVFVKNJXYBB-UHFFFAOYSA-N 1 2 384.274 2.093 20 0 GEADLO COc1ccc(CC(N)=[NH+]OCc2nn(C)cc2Br)cc1OC ZINC000842024424 653743893 /nfs/dbraw/zinc/74/38/93/653743893.db2.gz NBEBTJIJQXBFAP-UHFFFAOYSA-N 1 2 383.246 2.441 20 0 GEADLO O=C(COC(=O)C1SCCCS1)N1CC[NH+](Cc2cccs2)CC1 ZINC000842125383 653745835 /nfs/dbraw/zinc/74/58/35/653745835.db2.gz QQIXHGIRUSMOFR-UHFFFAOYSA-N 1 2 386.564 2.132 20 0 GEADLO Brc1nnc2ccc(N3CCC[N@H+](Cc4cscn4)CC3)nn12 ZINC000881910536 653749405 /nfs/dbraw/zinc/74/94/05/653749405.db2.gz PKJONFKEVPLOEY-UHFFFAOYSA-N 1 2 394.302 2.056 20 0 GEADLO Brc1nnc2ccc(N3CCC[N@@H+](Cc4cscn4)CC3)nn12 ZINC000881910536 653749407 /nfs/dbraw/zinc/74/94/07/653749407.db2.gz PKJONFKEVPLOEY-UHFFFAOYSA-N 1 2 394.302 2.056 20 0 GEADLO CCOc1cc(Br)c(F)cc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000819487559 653751457 /nfs/dbraw/zinc/75/14/57/653751457.db2.gz OFYCAKMDJTXXPU-LLVKDONJSA-N 1 2 377.254 2.092 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CCO1 ZINC000865092753 653753375 /nfs/dbraw/zinc/75/33/75/653753375.db2.gz XWJAYFGKJMRDMT-KLWIRTJPSA-N 1 2 379.298 2.172 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CCO1 ZINC000865092753 653753377 /nfs/dbraw/zinc/75/33/77/653753377.db2.gz XWJAYFGKJMRDMT-KLWIRTJPSA-N 1 2 379.298 2.172 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000865156685 653755321 /nfs/dbraw/zinc/75/53/21/653755321.db2.gz NHAYCSPQHWSDPY-PYKQWIPUSA-N 1 2 394.313 2.032 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000882030175 653758295 /nfs/dbraw/zinc/75/82/95/653758295.db2.gz RMTXISHPYWUAQC-BFYDXBDKSA-N 1 2 384.592 2.332 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000882030175 653758298 /nfs/dbraw/zinc/75/82/98/653758298.db2.gz RMTXISHPYWUAQC-BFYDXBDKSA-N 1 2 384.592 2.332 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1Cl ZINC000788649633 653761956 /nfs/dbraw/zinc/76/19/56/653761956.db2.gz LFLIUYMUWKSTOD-SCZZXKLOSA-N 1 2 392.930 2.400 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1Cl ZINC000788649633 653761959 /nfs/dbraw/zinc/76/19/59/653761959.db2.gz LFLIUYMUWKSTOD-SCZZXKLOSA-N 1 2 392.930 2.400 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)C1 ZINC000882132421 653764734 /nfs/dbraw/zinc/76/47/34/653764734.db2.gz CQRBYEONMDWJAA-BSEYFRJRSA-N 1 2 388.559 2.275 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000882137355 653765285 /nfs/dbraw/zinc/76/52/85/653765285.db2.gz GISCNWKIJFBIKW-UHFFFAOYSA-N 1 2 384.889 2.052 20 0 GEADLO COCC[C@H](C[NH2+]Cc1n[nH]cc1Br)NC(=O)OC(C)(C)C ZINC000865471869 653766087 /nfs/dbraw/zinc/76/60/87/653766087.db2.gz VJMKIDMPOWPOCW-SNVBAGLBSA-N 1 2 377.283 2.192 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CCO1 ZINC000788944191 653767022 /nfs/dbraw/zinc/76/70/22/653767022.db2.gz PEMBITKKDHVRCZ-VBNZEHGJSA-N 1 2 382.302 2.325 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CCO1 ZINC000788944191 653767025 /nfs/dbraw/zinc/76/70/25/653767025.db2.gz PEMBITKKDHVRCZ-VBNZEHGJSA-N 1 2 382.302 2.325 20 0 GEADLO O=C(COC(=O)c1nc(Cl)cs1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000789222793 653770560 /nfs/dbraw/zinc/77/05/60/653770560.db2.gz FWWGWWNEEUZYDC-UHFFFAOYSA-N 1 2 385.898 2.359 20 0 GEADLO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000842863171 653770981 /nfs/dbraw/zinc/77/09/81/653770981.db2.gz AGBQOZRVUPPPQM-JTQLQIEISA-N 1 2 399.257 2.075 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)n1 ZINC000865715674 653772637 /nfs/dbraw/zinc/77/26/37/653772637.db2.gz XLKPHQNBVVBXMG-INIZCTEOSA-N 1 2 382.306 2.274 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000865717891 653772821 /nfs/dbraw/zinc/77/28/21/653772821.db2.gz OGUQUQIKCUAEQV-YFCVBGDOSA-N 1 2 394.313 2.032 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)Cc1cccc(Br)c1 ZINC000842965687 653775257 /nfs/dbraw/zinc/77/52/57/653775257.db2.gz JKMDVLWMFVNLSY-BBRMVZONSA-N 1 2 386.286 2.271 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)Cc1cccc(Br)c1 ZINC000842965687 653775260 /nfs/dbraw/zinc/77/52/60/653775260.db2.gz JKMDVLWMFVNLSY-BBRMVZONSA-N 1 2 386.286 2.271 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cc(F)cc(Br)c1 ZINC000842966872 653775296 /nfs/dbraw/zinc/77/52/96/653775296.db2.gz SBQFBJLJOJXKLC-IAQYHMDHSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cc(F)cc(Br)c1 ZINC000842966872 653775297 /nfs/dbraw/zinc/77/52/97/653775297.db2.gz SBQFBJLJOJXKLC-IAQYHMDHSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(Cl)c(F)c1 ZINC000842968201 653775417 /nfs/dbraw/zinc/77/54/17/653775417.db2.gz UTQRRNOKJQUFDV-TZMCWYRMSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(Cl)c(F)c1 ZINC000842968201 653775423 /nfs/dbraw/zinc/77/54/23/653775423.db2.gz UTQRRNOKJQUFDV-TZMCWYRMSA-N 1 2 375.824 2.137 20 0 GEADLO COc1cccc(C[NH2+]Cc2c(I)cnn2C)c1F ZINC000865868742 653778130 /nfs/dbraw/zinc/77/81/30/653778130.db2.gz MNSONOCQKJOFQY-UHFFFAOYSA-N 1 2 375.185 2.462 20 0 GEADLO C[C@@H](c1noc([C@@H]([NH3+])CCS(C)(=O)=O)n1)c1ccc(Br)cc1 ZINC000843209598 653781313 /nfs/dbraw/zinc/78/13/13/653781313.db2.gz GEVNQYCNWZRIFF-SKDRFNHKSA-N 1 2 388.287 2.418 20 0 GEADLO CC(C)(C)Cc1csc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)n1 ZINC000789778765 653781431 /nfs/dbraw/zinc/78/14/31/653781431.db2.gz KIJXTYZJFHISAB-UHFFFAOYSA-N 1 2 383.865 2.038 20 0 GEADLO CC(C)(C)OC(=O)N1CCC[N@H+](CCOC(=O)[C@@H]2CSCCS2)CC1 ZINC000789791892 653781599 /nfs/dbraw/zinc/78/15/99/653781599.db2.gz JXYPEUHEPWSZCH-AWEZNQCLSA-N 1 2 390.571 2.321 20 0 GEADLO CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC(=O)[C@@H]2CSCCS2)CC1 ZINC000789791892 653781601 /nfs/dbraw/zinc/78/16/01/653781601.db2.gz JXYPEUHEPWSZCH-AWEZNQCLSA-N 1 2 390.571 2.321 20 0 GEADLO O=S(=O)(Cc1noc(C[NH2+]C[C@H]2CCCO2)n1)Cc1ccc(Cl)cc1 ZINC000843239344 653782337 /nfs/dbraw/zinc/78/23/37/653782337.db2.gz JUWKALQFEPANTE-CQSZACIVSA-N 1 2 385.873 2.107 20 0 GEADLO CCSCc1ccccc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000789942451 653783472 /nfs/dbraw/zinc/78/34/72/653783472.db2.gz UWKQAOPHKYUCFZ-UHFFFAOYSA-N 1 2 384.567 2.179 20 0 GEADLO CCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)cs1 ZINC000820810086 653784506 /nfs/dbraw/zinc/78/45/06/653784506.db2.gz OKMIAGIRLPYDJN-RYUDHWBXSA-N 1 2 381.523 2.376 20 0 GEADLO CCc1nc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)CC(N)=O)cc2)cs1 ZINC000820810084 653784580 /nfs/dbraw/zinc/78/45/80/653784580.db2.gz OKMIAGIRLPYDJN-NEPJUHHUSA-N 1 2 381.523 2.376 20 0 GEADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000866204449 653788930 /nfs/dbraw/zinc/78/89/30/653788930.db2.gz DBWMTDYJSZXEMT-ZIAGYGMSSA-N 1 2 397.216 2.411 20 0 GEADLO Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c(N(C)C)[nH+]1 ZINC000843834937 653795198 /nfs/dbraw/zinc/79/51/98/653795198.db2.gz DJMZSZIVYRGLDL-UHFFFAOYSA-N 1 2 382.873 2.026 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000882680244 653797725 /nfs/dbraw/zinc/79/77/25/653797725.db2.gz RFGMCAPDMWPDOR-BXKMTCNYSA-N 1 2 387.571 2.335 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000882680244 653797728 /nfs/dbraw/zinc/79/77/28/653797728.db2.gz RFGMCAPDMWPDOR-BXKMTCNYSA-N 1 2 387.571 2.335 20 0 GEADLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1occc1C(=O)OC)c1ccsc1 ZINC000866488932 653798523 /nfs/dbraw/zinc/79/85/23/653798523.db2.gz YTJWGCKHYOFBCY-CQSZACIVSA-N 1 2 386.495 2.489 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000882736225 653801798 /nfs/dbraw/zinc/80/17/98/653801798.db2.gz GEIOVEJQAQZHCL-CYBMUJFWSA-N 1 2 377.242 2.175 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000882736981 653802075 /nfs/dbraw/zinc/80/20/75/653802075.db2.gz XGOLBIORKBFBEO-MEBBXXQBSA-N 1 2 391.269 2.421 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000882736981 653802077 /nfs/dbraw/zinc/80/20/77/653802077.db2.gz XGOLBIORKBFBEO-MEBBXXQBSA-N 1 2 391.269 2.421 20 0 GEADLO O=C(c1cccnc1I)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000791023136 653802666 /nfs/dbraw/zinc/80/26/66/653802666.db2.gz AXSQMOXAYBTXKY-GFCCVEGCSA-N 1 2 395.200 2.375 20 0 GEADLO Cc1ccnc(C2CC[NH+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)CC2)n1 ZINC000844316212 653804848 /nfs/dbraw/zinc/80/48/48/653804848.db2.gz COCYMSFUOKOFCZ-UHFFFAOYSA-N 1 2 380.901 2.465 20 0 GEADLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000882764643 653805487 /nfs/dbraw/zinc/80/54/87/653805487.db2.gz ADTOQHQWXOJWTL-HIFRSBDPSA-N 1 2 388.917 2.128 20 0 GEADLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000882764643 653805490 /nfs/dbraw/zinc/80/54/90/653805490.db2.gz ADTOQHQWXOJWTL-HIFRSBDPSA-N 1 2 388.917 2.128 20 0 GEADLO COCCOCC[NH+]1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000844597001 653809870 /nfs/dbraw/zinc/80/98/70/653809870.db2.gz NVFSTNWQXUCVIQ-UHFFFAOYSA-N 1 2 375.897 2.457 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1F ZINC000866679006 653810239 /nfs/dbraw/zinc/81/02/39/653810239.db2.gz ZEXKQTGBDIWYDO-DEOSSOPVSA-N 1 2 386.474 2.061 20 0 GEADLO COc1cc(CS(=O)(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)sn1 ZINC000882838152 653813234 /nfs/dbraw/zinc/81/32/34/653813234.db2.gz ZGINMCLOJWKDRA-OAHLLOKOSA-N 1 2 378.479 2.209 20 0 GEADLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1nc(Br)ccc1F ZINC000791646577 653820271 /nfs/dbraw/zinc/82/02/71/653820271.db2.gz MJBIKHRQLBINIQ-CHWSQXEVSA-N 1 2 386.265 2.356 20 0 GEADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C3(Br)CC3)c2)CC1 ZINC000822272137 653821408 /nfs/dbraw/zinc/82/14/08/653821408.db2.gz PPDHNQSAVUKRFR-UHFFFAOYSA-N 1 2 380.286 2.217 20 0 GEADLO Cn1ncc(I)c1C[NH2+][C@H]1CCc2ccccc2NC1=O ZINC000895183812 653821703 /nfs/dbraw/zinc/82/17/03/653821703.db2.gz PGDFVBVWQJPZEU-ZDUSSCGKSA-N 1 2 396.232 2.068 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883027133 653822717 /nfs/dbraw/zinc/82/27/17/653822717.db2.gz PPPZYKOZAKHODT-MRVPVSSYSA-N 1 2 379.214 2.320 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883027133 653822719 /nfs/dbraw/zinc/82/27/19/653822719.db2.gz PPPZYKOZAKHODT-MRVPVSSYSA-N 1 2 379.214 2.320 20 0 GEADLO Brc1c[nH]c(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n1 ZINC000895318589 653827089 /nfs/dbraw/zinc/82/70/89/653827089.db2.gz AEOIQQAYAPTNPO-CABCVRRESA-N 1 2 377.286 2.257 20 0 GEADLO Brc1c[nH]c(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1 ZINC000895318589 653827093 /nfs/dbraw/zinc/82/70/93/653827093.db2.gz AEOIQQAYAPTNPO-CABCVRRESA-N 1 2 377.286 2.257 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCc1sccc1Br ZINC000883117881 653829053 /nfs/dbraw/zinc/82/90/53/653829053.db2.gz KELDZUXHHWVBNF-NSHDSACASA-N 1 2 376.320 2.073 20 0 GEADLO COCC[N@@H+]1CCN(C(=O)C(=O)c2ccc(Br)s2)C(C)(C)C1 ZINC000844949974 653830262 /nfs/dbraw/zinc/83/02/62/653830262.db2.gz YANUWWRDAFYSHK-UHFFFAOYSA-N 1 2 389.315 2.263 20 0 GEADLO COCC[N@H+]1CCN(C(=O)C(=O)c2ccc(Br)s2)C(C)(C)C1 ZINC000844949974 653830264 /nfs/dbraw/zinc/83/02/64/653830264.db2.gz YANUWWRDAFYSHK-UHFFFAOYSA-N 1 2 389.315 2.263 20 0 GEADLO C[C@]1(CC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1(Cl)Cl ZINC000822528869 653830656 /nfs/dbraw/zinc/83/06/56/653830656.db2.gz MOXYQNIOIRQHAU-KRWDZBQOSA-N 1 2 384.307 2.404 20 0 GEADLO O=C(Nc1cnc(Cl)c(Br)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000822594777 653833013 /nfs/dbraw/zinc/83/30/13/653833013.db2.gz UVCPFDNCSIHRMY-NSHDSACASA-N 1 2 389.681 2.436 20 0 GEADLO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792086603 653834313 /nfs/dbraw/zinc/83/43/13/653834313.db2.gz IDLPOJIOLIVQHE-UHFFFAOYSA-N 1 2 399.266 2.495 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)N=S1(=O)CCCC1 ZINC000866859327 653839338 /nfs/dbraw/zinc/83/93/38/653839338.db2.gz KKGBVCXKWBZXNV-MRXNPFEDSA-N 1 2 385.555 2.089 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)N=S1(=O)CCCC1 ZINC000866859327 653839341 /nfs/dbraw/zinc/83/93/41/653839341.db2.gz KKGBVCXKWBZXNV-MRXNPFEDSA-N 1 2 385.555 2.089 20 0 GEADLO O=C1O[C@@H](C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)CC12CCC2 ZINC000792297978 653839369 /nfs/dbraw/zinc/83/93/69/653839369.db2.gz WLOXSNXMDHVSFD-SNVBAGLBSA-N 1 2 376.404 2.165 20 0 GEADLO CC(C)(C)OC(=O)NCc1cn(C2C[NH+](C[C@@H]3CC3(Cl)Cl)C2)nn1 ZINC000895702869 653846523 /nfs/dbraw/zinc/84/65/23/653846523.db2.gz WUBJVWKLTVIZKT-JTQLQIEISA-N 1 2 376.288 2.353 20 0 GEADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000895702648 653846742 /nfs/dbraw/zinc/84/67/42/653846742.db2.gz DIUQARNCCRHKNM-CQSZACIVSA-N 1 2 380.185 2.160 20 0 GEADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000895702648 653846746 /nfs/dbraw/zinc/84/67/46/653846746.db2.gz DIUQARNCCRHKNM-CQSZACIVSA-N 1 2 380.185 2.160 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895846929 653852478 /nfs/dbraw/zinc/85/24/78/653852478.db2.gz RXSYYJVAPNYJKV-SQWLQELKSA-N 1 2 387.933 2.205 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895846929 653852482 /nfs/dbraw/zinc/85/24/82/653852482.db2.gz RXSYYJVAPNYJKV-SQWLQELKSA-N 1 2 387.933 2.205 20 0 GEADLO COC(=O)c1ccc(C[NH2+]Cc2c(I)cnn2C)cc1C ZINC000895878764 653854768 /nfs/dbraw/zinc/85/47/68/653854768.db2.gz GMSHEFVGWCTCDP-UHFFFAOYSA-N 1 2 399.232 2.410 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000896051040 653862434 /nfs/dbraw/zinc/86/24/34/653862434.db2.gz ZZFHXBUSXGLQKJ-UHFFFAOYSA-N 1 2 379.448 2.326 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000896051040 653862436 /nfs/dbraw/zinc/86/24/36/653862436.db2.gz ZZFHXBUSXGLQKJ-UHFFFAOYSA-N 1 2 379.448 2.326 20 0 GEADLO CCOC1CC(CNC(=O)NCc2cscc2Cl)([NH+]2CCOCC2)C1 ZINC000884299587 653871330 /nfs/dbraw/zinc/87/13/30/653871330.db2.gz XXJUSZQZIFQZEJ-UHFFFAOYSA-N 1 2 387.933 2.471 20 0 GEADLO Cc1nonc1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000845997615 653878947 /nfs/dbraw/zinc/87/89/47/653878947.db2.gz OVVBIXUSKWFZCM-UHFFFAOYSA-N 1 2 394.273 2.074 20 0 GEADLO COC(=O)[C@](C)(NC(=O)CCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000793473726 653879011 /nfs/dbraw/zinc/87/90/11/653879011.db2.gz GLWLTKCQOQGIQG-QGZVFWFLSA-N 1 2 394.269 2.320 20 0 GEADLO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@H]1CN(C)CC[N@@H+]1C ZINC000896529261 653882650 /nfs/dbraw/zinc/88/26/50/653882650.db2.gz XSPBNFSHATZILR-SDCWGCLJSA-N 1 2 392.341 2.085 20 0 GEADLO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@H]1CN(C)CC[N@H+]1C ZINC000896529261 653882652 /nfs/dbraw/zinc/88/26/52/653882652.db2.gz XSPBNFSHATZILR-SDCWGCLJSA-N 1 2 392.341 2.085 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896537481 653883030 /nfs/dbraw/zinc/88/30/30/653883030.db2.gz ZKPSDLOTQJEMGX-KKBVYLPWSA-N 1 2 380.330 2.303 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000896537481 653883034 /nfs/dbraw/zinc/88/30/34/653883034.db2.gz ZKPSDLOTQJEMGX-KKBVYLPWSA-N 1 2 380.330 2.303 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896537484 653883088 /nfs/dbraw/zinc/88/30/88/653883088.db2.gz ZKPSDLOTQJEMGX-ZFVVBOAOSA-N 1 2 380.330 2.303 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896537484 653883092 /nfs/dbraw/zinc/88/30/92/653883092.db2.gz ZKPSDLOTQJEMGX-ZFVVBOAOSA-N 1 2 380.330 2.303 20 0 GEADLO COC[C@@]1(C)NC(=O)N(C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000793793814 653885283 /nfs/dbraw/zinc/88/52/83/653885283.db2.gz WEWNPODHOXBFHW-RHSMWYFYSA-N 1 2 383.901 2.421 20 0 GEADLO COC[C@@]1(C)NC(=O)N(C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000793793814 653885287 /nfs/dbraw/zinc/88/52/87/653885287.db2.gz WEWNPODHOXBFHW-RHSMWYFYSA-N 1 2 383.901 2.421 20 0 GEADLO Cc1c(Br)cccc1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000824264977 653890183 /nfs/dbraw/zinc/89/01/83/653890183.db2.gz WTPUFFCIXCUNNR-WBVHZDCISA-N 1 2 397.313 2.254 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C1 ZINC000867198353 653892604 /nfs/dbraw/zinc/89/26/04/653892604.db2.gz INDZOIRNWAFQBD-SHACYNPGSA-N 1 2 382.511 2.001 20 0 GEADLO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000896754679 653893635 /nfs/dbraw/zinc/89/36/35/653893635.db2.gz GRSGEZJQNNFFKV-BLLLJJGKSA-N 1 2 395.297 2.331 20 0 GEADLO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 ZINC000896754679 653893638 /nfs/dbraw/zinc/89/36/38/653893638.db2.gz GRSGEZJQNNFFKV-BLLLJJGKSA-N 1 2 395.297 2.331 20 0 GEADLO Cc1[nH]c(CNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)[nH+]c1C ZINC000896905677 653899057 /nfs/dbraw/zinc/89/90/57/653899057.db2.gz JRHGGOUKCHLPOG-ZDUSSCGKSA-N 1 2 378.226 2.187 20 0 GEADLO Cc1[nH]c(CNC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)[nH+]c1C ZINC000896920365 653899359 /nfs/dbraw/zinc/89/93/59/653899359.db2.gz CRESTKWZWYTLQR-UHFFFAOYSA-N 1 2 386.271 2.123 20 0 GEADLO Cc1[nH]c(CNC(=O)CCNC(=O)c2cc(F)ccc2Br)[nH+]c1C ZINC000896923454 653899591 /nfs/dbraw/zinc/89/95/91/653899591.db2.gz MSWVMMJZUWCVLQ-UHFFFAOYSA-N 1 2 397.248 2.364 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000867234981 653900146 /nfs/dbraw/zinc/90/01/46/653900146.db2.gz PDWPIUDNKQMXMZ-FYSMJZIKSA-N 1 2 387.571 2.239 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000867234981 653900150 /nfs/dbraw/zinc/90/01/50/653900150.db2.gz PDWPIUDNKQMXMZ-FYSMJZIKSA-N 1 2 387.571 2.239 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824838820 653910064 /nfs/dbraw/zinc/91/00/64/653910064.db2.gz SKAOMDHQJPNRLD-UWVGGRQHSA-N 1 2 395.223 2.025 20 0 GEADLO Cn1ncc(Br)c1C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824838820 653910066 /nfs/dbraw/zinc/91/00/66/653910066.db2.gz SKAOMDHQJPNRLD-UWVGGRQHSA-N 1 2 395.223 2.025 20 0 GEADLO COCCOC[C@H]1CC[N@H+](Cn2c(=O)oc3cccc(Br)c32)C1 ZINC000794636449 653914719 /nfs/dbraw/zinc/91/47/19/653914719.db2.gz ILDOGWMEWHPJIQ-LBPRGKRZSA-N 1 2 385.258 2.299 20 0 GEADLO COCCOC[C@H]1CC[N@@H+](Cn2c(=O)oc3cccc(Br)c32)C1 ZINC000794636449 653914721 /nfs/dbraw/zinc/91/47/21/653914721.db2.gz ILDOGWMEWHPJIQ-LBPRGKRZSA-N 1 2 385.258 2.299 20 0 GEADLO Cc1cccn2c(CN3CCn4ncc(I)c4C3)c[nH+]c12 ZINC000897291531 653914732 /nfs/dbraw/zinc/91/47/32/653914732.db2.gz RNOIUCVRIZEQNY-UHFFFAOYSA-N 1 2 393.232 2.460 20 0 GEADLO O=C(c1ncsc1Br)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825100048 653917691 /nfs/dbraw/zinc/91/76/91/653917691.db2.gz RQWWFHFJBMKMTI-UHFFFAOYSA-N 1 2 381.299 2.301 20 0 GEADLO CCn1ncc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)c1Br ZINC000825106019 653917843 /nfs/dbraw/zinc/91/78/43/653917843.db2.gz SHSSUSKUOCUNGY-UHFFFAOYSA-N 1 2 392.301 2.061 20 0 GEADLO Cc1sc(Br)nc1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179559 653919403 /nfs/dbraw/zinc/91/94/03/653919403.db2.gz WYLDZLAFSSXEFG-BBBLOLIVSA-N 1 2 376.320 2.442 20 0 GEADLO Cc1sc(Br)nc1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847179559 653919410 /nfs/dbraw/zinc/91/94/10/653919410.db2.gz WYLDZLAFSSXEFG-BBBLOLIVSA-N 1 2 376.320 2.442 20 0 GEADLO COC[C@@H]1CCC[N@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000825321735 653925022 /nfs/dbraw/zinc/92/50/22/653925022.db2.gz MKCMGKBMENTDQD-HUUCEWRRSA-N 1 2 389.949 2.453 20 0 GEADLO COC[C@@H]1CCC[N@@H+](Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000825321735 653925025 /nfs/dbraw/zinc/92/50/25/653925025.db2.gz MKCMGKBMENTDQD-HUUCEWRRSA-N 1 2 389.949 2.453 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)N(C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867449353 653933654 /nfs/dbraw/zinc/93/36/54/653933654.db2.gz RRFHGTZWYUZFNM-MZNJEOGPSA-N 1 2 387.571 2.334 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000867449353 653933658 /nfs/dbraw/zinc/93/36/58/653933658.db2.gz RRFHGTZWYUZFNM-MZNJEOGPSA-N 1 2 387.571 2.334 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1F ZINC000867487351 653939117 /nfs/dbraw/zinc/93/91/17/653939117.db2.gz IJFCAEGBIRBWBI-JPMUSVJPSA-N 1 2 389.518 2.134 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1F ZINC000867487351 653939122 /nfs/dbraw/zinc/93/91/22/653939122.db2.gz IJFCAEGBIRBWBI-JPMUSVJPSA-N 1 2 389.518 2.134 20 0 GEADLO CC(C)n1ncc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1I ZINC000867536955 653947753 /nfs/dbraw/zinc/94/77/53/653947753.db2.gz BBZKHILQJDASCQ-SNVBAGLBSA-N 1 2 399.236 2.010 20 0 GEADLO COC(=O)c1cc(C2C[NH+](Cc3cc4c(cc3Br)OCO4)C2)[nH]n1 ZINC000898005212 653949398 /nfs/dbraw/zinc/94/93/98/653949398.db2.gz WCPPJXCSSAJKOA-UHFFFAOYSA-N 1 2 394.225 2.287 20 0 GEADLO CCc1ccc(Br)cc1C(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000898081851 653952668 /nfs/dbraw/zinc/95/26/68/653952668.db2.gz UNNDEMZJDDQYIX-CQSZACIVSA-N 1 2 380.242 2.180 20 0 GEADLO C[C@H](NC(=O)c1cnn(C(C)(C)C)c1Br)[C@H](C)[NH+]1CCOCC1 ZINC000826571993 653953541 /nfs/dbraw/zinc/95/35/41/653953541.db2.gz MRTXOHFOAJATIE-RYUDHWBXSA-N 1 2 387.322 2.240 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)n1 ZINC000898312945 653962330 /nfs/dbraw/zinc/96/23/30/653962330.db2.gz PYLUBNYYUVLVER-QWRGUYRKSA-N 1 2 378.420 2.238 20 0 GEADLO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)cc(F)c1O ZINC000885893176 653962735 /nfs/dbraw/zinc/96/27/35/653962735.db2.gz LIADXRKQPMISSI-LBPRGKRZSA-N 1 2 387.249 2.277 20 0 GEADLO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cc(Br)cc(F)c1O ZINC000885893176 653962738 /nfs/dbraw/zinc/96/27/38/653962738.db2.gz LIADXRKQPMISSI-LBPRGKRZSA-N 1 2 387.249 2.277 20 0 GEADLO CO[C@H](C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000795749081 653965104 /nfs/dbraw/zinc/96/51/04/653965104.db2.gz FAFVKSGTGLAZCH-YMTOWFKASA-N 1 2 390.303 2.202 20 0 GEADLO CO[C@H](C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000795749081 653965105 /nfs/dbraw/zinc/96/51/05/653965105.db2.gz FAFVKSGTGLAZCH-YMTOWFKASA-N 1 2 390.303 2.202 20 0 GEADLO C[C@@H]1CCN(C(=O)NCc2ncc(Br)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000898391542 653967441 /nfs/dbraw/zinc/96/74/41/653967441.db2.gz ASRJYIQPCDBQEK-YPMHNXCESA-N 1 2 379.262 2.228 20 0 GEADLO O=S(=O)(NCc1cc[nH+]c(N2CCSCC2)c1)c1ccc(Cl)nc1 ZINC000867655693 653969278 /nfs/dbraw/zinc/96/92/78/653969278.db2.gz WMULXDOCVWFDJS-UHFFFAOYSA-N 1 2 384.914 2.162 20 0 GEADLO CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898488880 653973265 /nfs/dbraw/zinc/97/32/65/653973265.db2.gz JSPWOUYFTFSRIS-ZIAGYGMSSA-N 1 2 377.526 2.183 20 0 GEADLO CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898488880 653973268 /nfs/dbraw/zinc/97/32/68/653973268.db2.gz JSPWOUYFTFSRIS-ZIAGYGMSSA-N 1 2 377.526 2.183 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)C[C@H]1C ZINC000795903891 653976506 /nfs/dbraw/zinc/97/65/06/653976506.db2.gz PFBHZJAYHPKYBZ-MNOVXSKESA-N 1 2 392.880 2.369 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)C[C@H]1C ZINC000795903891 653976509 /nfs/dbraw/zinc/97/65/09/653976509.db2.gz PFBHZJAYHPKYBZ-MNOVXSKESA-N 1 2 392.880 2.369 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000827157328 653978167 /nfs/dbraw/zinc/97/81/67/653978167.db2.gz ACORSKWDTKUWKH-GFCCVEGCSA-N 1 2 398.139 2.063 20 0 GEADLO CN(C)S(=O)(=O)C1(C[NH2+]Cc2csc(COc3ccccc3)n2)CC1 ZINC000886320900 653978550 /nfs/dbraw/zinc/97/85/50/653978550.db2.gz JMNAIRQMSPWYSS-UHFFFAOYSA-N 1 2 381.523 2.236 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)COc1ccc(Br)cc1Cl ZINC000898881494 653990619 /nfs/dbraw/zinc/99/06/19/653990619.db2.gz MDWHSQGNKMBRCM-LLVKDONJSA-N 1 2 388.649 2.065 20 0 GEADLO Cc1ccc(O[C@@H](C)C(=O)N[C@@H](CO)c2c[nH+]cn2C)c(Br)c1 ZINC000898883493 653990624 /nfs/dbraw/zinc/99/06/24/653990624.db2.gz JWCYOHBPZGMYPA-AAEUAGOBSA-N 1 2 382.258 2.108 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000898895535 653991467 /nfs/dbraw/zinc/99/14/67/653991467.db2.gz PKSSYVVJPXRDII-SNVBAGLBSA-N 1 2 377.495 2.155 20 0 GEADLO CC(C)(CNC(=O)CCN1C(=S)N=NC1c1cccs1)n1cc[nH+]c1 ZINC000898900105 653991480 /nfs/dbraw/zinc/99/14/80/653991480.db2.gz SQYYIVORADTOOS-UHFFFAOYSA-N 1 2 376.511 2.433 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)Cc3ccc(F)cc3Br)CC2)CC1 ZINC000827445493 653992015 /nfs/dbraw/zinc/99/20/15/653992015.db2.gz RFMMOTMRUXANLK-UHFFFAOYSA-N 1 2 398.320 2.369 20 0 GEADLO CC(C)[C@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)CC[N@@H+]1C ZINC000867820851 653993499 /nfs/dbraw/zinc/99/34/99/653993499.db2.gz PSZLZEPEIVNLHY-OAHLLOKOSA-N 1 2 387.933 2.003 20 0 GEADLO CC(C)[C@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)CC[N@H+]1C ZINC000867820851 653993503 /nfs/dbraw/zinc/99/35/03/653993503.db2.gz PSZLZEPEIVNLHY-OAHLLOKOSA-N 1 2 387.933 2.003 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)COc3cccc(Br)c3)CC2)CC1 ZINC000827473919 653993697 /nfs/dbraw/zinc/99/36/97/653993697.db2.gz ORFYYXFHKBLGSC-UHFFFAOYSA-N 1 2 396.329 2.066 20 0 GEADLO CN(C)S(=O)(=O)C1(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)CC1 ZINC000886737223 653996808 /nfs/dbraw/zinc/99/68/08/653996808.db2.gz VXOHKRZPJXQRNW-MRXNPFEDSA-N 1 2 382.917 2.177 20 0 GEADLO C[C@@H](C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)c1ccc(Br)s1 ZINC000899059133 653997556 /nfs/dbraw/zinc/99/75/56/653997556.db2.gz DBGLNRWAECICAV-LLVKDONJSA-N 1 2 389.315 2.179 20 0 GEADLO C[C@@H](C(=O)NCC[N@H+]1CCC2(C1)OCCO2)c1ccc(Br)s1 ZINC000899059133 653997559 /nfs/dbraw/zinc/99/75/59/653997559.db2.gz DBGLNRWAECICAV-LLVKDONJSA-N 1 2 389.315 2.179 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cc(Cl)cc(Br)c1 ZINC000899059016 653997601 /nfs/dbraw/zinc/99/76/01/653997601.db2.gz ASXYNQQUHUKDJS-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cc(Cl)cc(Br)c1 ZINC000899059016 653997603 /nfs/dbraw/zinc/99/76/03/653997603.db2.gz ASXYNQQUHUKDJS-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1ccc(OC(F)(F)Cl)cc1 ZINC000899061411 653997946 /nfs/dbraw/zinc/99/79/46/653997946.db2.gz FOOCVLMNAMYAKK-UHFFFAOYSA-N 1 2 376.787 2.033 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1ccc(OC(F)(F)Cl)cc1 ZINC000899061411 653997949 /nfs/dbraw/zinc/99/79/49/653997949.db2.gz FOOCVLMNAMYAKK-UHFFFAOYSA-N 1 2 376.787 2.033 20 0 GEADLO O=C(NC1(c2ncc(Br)cn2)CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000886839123 654004400 /nfs/dbraw/zinc/00/44/00/654004400.db2.gz VCUGCOQYNZXSGC-LLVKDONJSA-N 1 2 376.258 2.194 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000867896424 654004648 /nfs/dbraw/zinc/00/46/48/654004648.db2.gz RFGMCAPDMWPDOR-MZNJEOGPSA-N 1 2 387.571 2.335 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000867896424 654004652 /nfs/dbraw/zinc/00/46/52/654004652.db2.gz RFGMCAPDMWPDOR-MZNJEOGPSA-N 1 2 387.571 2.335 20 0 GEADLO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C)cnc1Cl ZINC000886885067 654006874 /nfs/dbraw/zinc/00/68/74/654006874.db2.gz GQDCEZYZUYOPMB-CQSZACIVSA-N 1 2 381.885 2.387 20 0 GEADLO O=C(c1ccc(Br)[nH]c1=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000827934439 654013449 /nfs/dbraw/zinc/01/34/49/654013449.db2.gz GNESHBRDXIAGMT-UHFFFAOYSA-N 1 2 392.253 2.213 20 0 GEADLO COc1cccc([C@H]2CN(C(=O)c3ncc(Br)cn3)CC[NH2+]2)c1 ZINC000827942230 654013607 /nfs/dbraw/zinc/01/36/07/654013607.db2.gz AKYADRJIXUZIKB-CQSZACIVSA-N 1 2 377.242 2.034 20 0 GEADLO O=C(N[C@H]1COc2cccc(Br)c2C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000828026632 654016399 /nfs/dbraw/zinc/01/63/99/654016399.db2.gz FNMIGGSUXDRGGX-VXGBXAGGSA-N 1 2 376.254 2.328 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=S)Nc2ccccc2OCC(F)(F)F)C1 ZINC000899470216 654016701 /nfs/dbraw/zinc/01/67/01/654016701.db2.gz KISQAWXRJSHPCW-GFCCVEGCSA-N 1 2 376.448 2.160 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=S)Nc2ccccc2OCC(F)(F)F)C1 ZINC000899470216 654016707 /nfs/dbraw/zinc/01/67/07/654016707.db2.gz KISQAWXRJSHPCW-GFCCVEGCSA-N 1 2 376.448 2.160 20 0 GEADLO Cn1cc(NC(=S)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cn1 ZINC000899498593 654018689 /nfs/dbraw/zinc/01/86/89/654018689.db2.gz JDZHXGAEXLJCCZ-HZPDHXFCSA-N 1 2 379.917 2.432 20 0 GEADLO Cn1cc(NC(=S)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000899498593 654018695 /nfs/dbraw/zinc/01/86/95/654018695.db2.gz JDZHXGAEXLJCCZ-HZPDHXFCSA-N 1 2 379.917 2.432 20 0 GEADLO COC[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000828104692 654022403 /nfs/dbraw/zinc/02/24/03/654022403.db2.gz ACCWEYWGBMQUOO-WUTVXBCWSA-N 1 2 383.286 2.141 20 0 GEADLO CC1=C(Br)C[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000797528964 654035219 /nfs/dbraw/zinc/03/52/19/654035219.db2.gz BVODOIMOHFOVKI-AWEZNQCLSA-N 1 2 394.269 2.239 20 0 GEADLO CC1=C(Br)C[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000797528964 654035221 /nfs/dbraw/zinc/03/52/21/654035221.db2.gz BVODOIMOHFOVKI-AWEZNQCLSA-N 1 2 394.269 2.239 20 0 GEADLO CCc1sc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(=O)OC)cc1Br ZINC000828983299 654056839 /nfs/dbraw/zinc/05/68/39/654056839.db2.gz KACOGHRWTLREGL-JTQLQIEISA-N 1 2 386.271 2.241 20 0 GEADLO NS(=O)(=O)c1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000798318945 654058323 /nfs/dbraw/zinc/05/83/23/654058323.db2.gz SHRLBYKNPRQWCA-UHFFFAOYSA-N 1 2 376.825 2.425 20 0 GEADLO COC(=O)c1cc(Br)cc(NC(=O)/C=C\C[NH+]2CCOCC2)c1C ZINC000868895222 654061576 /nfs/dbraw/zinc/06/15/76/654061576.db2.gz PRPYCNHNJBGDGE-ARJAWSKDSA-N 1 2 397.269 2.371 20 0 GEADLO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cccc(Br)c1O ZINC000829247805 654063467 /nfs/dbraw/zinc/06/34/67/654063467.db2.gz SGBBUKMRIYQYSX-UHFFFAOYSA-N 1 2 383.286 2.339 20 0 GEADLO C[C@]1(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1(Br)Br ZINC000849968763 654063692 /nfs/dbraw/zinc/06/36/92/654063692.db2.gz NKJDDCPHWPDBSJ-JFGNBEQYSA-N 1 2 397.107 2.289 20 0 GEADLO C[C@]1(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1(Br)Br ZINC000849968763 654063696 /nfs/dbraw/zinc/06/36/96/654063696.db2.gz NKJDDCPHWPDBSJ-JFGNBEQYSA-N 1 2 397.107 2.289 20 0 GEADLO O=C(c1cc2ncc(Br)cn2n1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000900542325 654069091 /nfs/dbraw/zinc/06/90/91/654069091.db2.gz TWNLXVAOJGFTGS-SNVBAGLBSA-N 1 2 375.230 2.235 20 0 GEADLO COC(=O)Cn1cc(C[NH2+]Cc2cc3cc(Br)ccc3o2)nn1 ZINC000850221102 654068999 /nfs/dbraw/zinc/06/89/99/654068999.db2.gz ATSKSMSFDSZUGM-UHFFFAOYSA-N 1 2 379.214 2.250 20 0 GEADLO COc1cc(I)ccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000869103412 654069417 /nfs/dbraw/zinc/06/94/17/654069417.db2.gz LLKAKIWJLWGNHL-NSHDSACASA-N 1 2 397.216 2.241 20 0 GEADLO C[C@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000829861945 654082392 /nfs/dbraw/zinc/08/23/92/654082392.db2.gz ACJRWNBMGLFGHR-JQWIXIFHSA-N 1 2 376.400 2.335 20 0 GEADLO C[C@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000829861945 654082397 /nfs/dbraw/zinc/08/23/97/654082397.db2.gz ACJRWNBMGLFGHR-JQWIXIFHSA-N 1 2 376.400 2.335 20 0 GEADLO C[N@H+](C[C@@H](O)c1ccc(F)cn1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000799311815 654091247 /nfs/dbraw/zinc/09/12/47/654091247.db2.gz FRDNHXAFAKWSAG-HUUCEWRRSA-N 1 2 382.233 2.175 20 0 GEADLO C[N@@H+](C[C@@H](O)c1ccc(F)cn1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000799311815 654091257 /nfs/dbraw/zinc/09/12/57/654091257.db2.gz FRDNHXAFAKWSAG-HUUCEWRRSA-N 1 2 382.233 2.175 20 0 GEADLO C[C@@H]1CCN(C(=O)c2cc3ncc(Br)cn3n2)C[C@H]1n1cc[nH+]c1 ZINC000901040011 654104685 /nfs/dbraw/zinc/10/46/85/654104685.db2.gz IWGWFMZBTRAWIN-BXUZGUMPSA-N 1 2 389.257 2.412 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cncc(Br)c2C)C1 ZINC000888902427 654112686 /nfs/dbraw/zinc/11/26/86/654112686.db2.gz RJRBMLISEACGCQ-GFCCVEGCSA-N 1 2 384.274 2.366 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cncc(Br)c2C)C1 ZINC000888902427 654112691 /nfs/dbraw/zinc/11/26/91/654112691.db2.gz RJRBMLISEACGCQ-GFCCVEGCSA-N 1 2 384.274 2.366 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H](O)c1cccc(Br)c1 ZINC000901187300 654114145 /nfs/dbraw/zinc/11/41/45/654114145.db2.gz BGDGZFLFIOAQML-ZBFHGGJFSA-N 1 2 376.254 2.273 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1)c1ccc(Br)cc1 ZINC000830488127 654121335 /nfs/dbraw/zinc/12/13/35/654121335.db2.gz SLEUVMSREYOQAU-SWLSCSKDSA-N 1 2 398.301 2.399 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1)c1ccc(Br)cc1 ZINC000830488127 654121338 /nfs/dbraw/zinc/12/13/38/654121338.db2.gz SLEUVMSREYOQAU-SWLSCSKDSA-N 1 2 398.301 2.399 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000830509764 654122977 /nfs/dbraw/zinc/12/29/77/654122977.db2.gz MQGXXWKWRNVPEN-LSDHHAIUSA-N 1 2 396.285 2.327 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000830509764 654122979 /nfs/dbraw/zinc/12/29/79/654122979.db2.gz MQGXXWKWRNVPEN-LSDHHAIUSA-N 1 2 396.285 2.327 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000830509761 654123058 /nfs/dbraw/zinc/12/30/58/654123058.db2.gz MQGXXWKWRNVPEN-CABCVRRESA-N 1 2 396.285 2.327 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000830509761 654123060 /nfs/dbraw/zinc/12/30/60/654123060.db2.gz MQGXXWKWRNVPEN-CABCVRRESA-N 1 2 396.285 2.327 20 0 GEADLO CCOC(=O)C1([S@](C)=O)CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000830543958 654124945 /nfs/dbraw/zinc/12/49/45/654124945.db2.gz AZUNXLQPKJUCCS-MQNRADLISA-N 1 2 391.892 2.289 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cncc(Br)c1C ZINC000851102181 654130062 /nfs/dbraw/zinc/13/00/62/654130062.db2.gz KXVJWOOMAGZIIG-DGCLKSJQSA-N 1 2 387.274 2.045 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cncc(Br)c1C ZINC000851102181 654130066 /nfs/dbraw/zinc/13/00/66/654130066.db2.gz KXVJWOOMAGZIIG-DGCLKSJQSA-N 1 2 387.274 2.045 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000830642292 654131394 /nfs/dbraw/zinc/13/13/94/654131394.db2.gz PJFNXAPYWNFRTH-AWEZNQCLSA-N 1 2 391.256 2.456 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000889213874 654132651 /nfs/dbraw/zinc/13/26/51/654132651.db2.gz DRTYJIHBTDLCBK-VIFPVBQESA-N 1 2 383.802 2.325 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000889213874 654132657 /nfs/dbraw/zinc/13/26/57/654132657.db2.gz DRTYJIHBTDLCBK-VIFPVBQESA-N 1 2 383.802 2.325 20 0 GEADLO Cc1cc(Br)cc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)c1C ZINC000870058078 654141577 /nfs/dbraw/zinc/14/15/77/654141577.db2.gz IEKLYSAUOOQTFB-MRXNPFEDSA-N 1 2 397.313 2.239 20 0 GEADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000901728943 654144423 /nfs/dbraw/zinc/14/44/23/654144423.db2.gz QBIAAKGEZMSWLU-KGLIPLIRSA-N 1 2 396.260 2.473 20 0 GEADLO COc1cccc([C@H]2CN(C(=O)c3cc[nH]c(=O)c3Br)CC[NH2+]2)c1 ZINC000870152590 654146840 /nfs/dbraw/zinc/14/68/40/654146840.db2.gz KHFZIYRBPUNQHT-CQSZACIVSA-N 1 2 392.253 2.345 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831010815 654155625 /nfs/dbraw/zinc/15/56/25/654155625.db2.gz ZEAYWNZEDGKMTL-IUCAKERBSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831010815 654155634 /nfs/dbraw/zinc/15/56/34/654155634.db2.gz ZEAYWNZEDGKMTL-IUCAKERBSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831010816 654155689 /nfs/dbraw/zinc/15/56/89/654155689.db2.gz ZEAYWNZEDGKMTL-RKDXNWHRSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831010816 654155698 /nfs/dbraw/zinc/15/56/98/654155698.db2.gz ZEAYWNZEDGKMTL-RKDXNWHRSA-N 1 2 382.711 2.211 20 0 GEADLO O=C(C=CC[NH+]1CCOCC1)Nc1nc2cc(F)c(Br)cc2[nH]1 ZINC000889648028 654155933 /nfs/dbraw/zinc/15/59/33/654155933.db2.gz LAXFMTLFHWHLFL-UPHRSURJSA-N 1 2 383.221 2.291 20 0 GEADLO Cc1nn(C)c(Br)c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000800827006 654159344 /nfs/dbraw/zinc/15/93/44/654159344.db2.gz ORAKVPCJAAJOBB-UHFFFAOYSA-N 1 2 378.274 2.416 20 0 GEADLO CC1(C)OC[C@@H](CC[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)O1 ZINC000851715423 654171681 /nfs/dbraw/zinc/17/16/81/654171681.db2.gz UDRAYUJUHQZZNS-OAHLLOKOSA-N 1 2 388.917 2.188 20 0 GEADLO O=C(NC[C@@H]1CCCC[N@H+]1CCn1cnc(Br)n1)c1ccccc1 ZINC000851797049 654178863 /nfs/dbraw/zinc/17/88/63/654178863.db2.gz BGNGTZZLEONCSM-HNNXBMFYSA-N 1 2 392.301 2.325 20 0 GEADLO O=C(NC[C@@H]1CCCC[N@@H+]1CCn1cnc(Br)n1)c1ccccc1 ZINC000851797049 654178870 /nfs/dbraw/zinc/17/88/70/654178870.db2.gz BGNGTZZLEONCSM-HNNXBMFYSA-N 1 2 392.301 2.325 20 0 GEADLO O=c1oc2cc(Br)ccc2n1C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000902501813 654179896 /nfs/dbraw/zinc/17/98/96/654179896.db2.gz BUBPECKEEXDPPJ-UHFFFAOYSA-N 1 2 396.241 2.279 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)n1 ZINC000919757533 654191697 /nfs/dbraw/zinc/19/16/97/654191697.db2.gz VMBOAFIICBRFMO-MNOVXSKESA-N 1 2 378.420 2.381 20 0 GEADLO C[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000919989741 654198370 /nfs/dbraw/zinc/19/83/70/654198370.db2.gz LBLGMRZKTKCFJT-ZANVPECISA-N 1 2 384.304 2.045 20 0 GEADLO C[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000919989741 654198373 /nfs/dbraw/zinc/19/83/73/654198373.db2.gz LBLGMRZKTKCFJT-ZANVPECISA-N 1 2 384.304 2.045 20 0 GEADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC000801508934 654198885 /nfs/dbraw/zinc/19/88/85/654198885.db2.gz WKVCUYLFQZRQPJ-KRWDZBQOSA-N 1 2 389.949 2.232 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1C[N@H+](C)CCN1C ZINC000920020602 654199661 /nfs/dbraw/zinc/19/96/61/654199661.db2.gz NJXNZGXXNXTAQU-GXFFZTMASA-N 1 2 399.866 2.271 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1C[N@@H+](C)CCN1C ZINC000920020602 654199667 /nfs/dbraw/zinc/19/96/67/654199667.db2.gz NJXNZGXXNXTAQU-GXFFZTMASA-N 1 2 399.866 2.271 20 0 GEADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000870887794 654204001 /nfs/dbraw/zinc/20/40/01/654204001.db2.gz GGWBNAIIVBHLJV-NSHDSACASA-N 1 2 379.258 2.172 20 0 GEADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@H]2CC2(Cl)Cl)C1 ZINC000851970425 654209746 /nfs/dbraw/zinc/20/97/46/654209746.db2.gz WHAHQLQALFJHHD-HZPDHXFCSA-N 1 2 385.339 2.296 20 0 GEADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@H]2CC2(Cl)Cl)C1 ZINC000851970425 654209750 /nfs/dbraw/zinc/20/97/50/654209750.db2.gz WHAHQLQALFJHHD-HZPDHXFCSA-N 1 2 385.339 2.296 20 0 GEADLO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@]1(C)CCCS1(=O)=O ZINC000903020757 654210132 /nfs/dbraw/zinc/21/01/32/654210132.db2.gz FOIKTNFUUBPCSF-SFHVURJKSA-N 1 2 382.551 2.450 20 0 GEADLO CC1(C)OC[C@H](C[NH+]2CCC(O)(c3scnc3Br)CC2)O1 ZINC000852006745 654212255 /nfs/dbraw/zinc/21/22/55/654212255.db2.gz SIEZNOJCVXYDGS-JTQLQIEISA-N 1 2 377.304 2.341 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N[C@](C)(CO)Cc1ccc(Br)cc1 ZINC000870946080 654212465 /nfs/dbraw/zinc/21/24/65/654212465.db2.gz DEYSXRSDEPTFPM-KRWDZBQOSA-N 1 2 380.286 2.225 20 0 GEADLO CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(Br)cn1 ZINC000903040499 654212712 /nfs/dbraw/zinc/21/27/12/654212712.db2.gz PEFQCYFXDIVGRM-CABCVRRESA-N 1 2 398.301 2.077 20 0 GEADLO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1CCn1cnc(Br)n1 ZINC000852038448 654214591 /nfs/dbraw/zinc/21/45/91/654214591.db2.gz OEDUHKYWMISDCJ-CYBMUJFWSA-N 1 2 388.310 2.421 20 0 GEADLO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1CCn1cnc(Br)n1 ZINC000852038448 654214592 /nfs/dbraw/zinc/21/45/92/654214592.db2.gz OEDUHKYWMISDCJ-CYBMUJFWSA-N 1 2 388.310 2.421 20 0 GEADLO C[C@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000852126913 654219803 /nfs/dbraw/zinc/21/98/03/654219803.db2.gz IZAUCTRBIIFSQN-MQIPJXDCSA-N 1 2 390.311 2.435 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)[NH+]1CCOCC1 ZINC000852126915 654219893 /nfs/dbraw/zinc/21/98/93/654219893.db2.gz IZAUCTRBIIFSQN-OZVIIMIRSA-N 1 2 390.311 2.435 20 0 GEADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000802239528 654223878 /nfs/dbraw/zinc/22/38/78/654223878.db2.gz LVWWDFDVPUDEOH-SWLSCSKDSA-N 1 2 399.260 2.389 20 0 GEADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000802239528 654223882 /nfs/dbraw/zinc/22/38/82/654223882.db2.gz LVWWDFDVPUDEOH-SWLSCSKDSA-N 1 2 399.260 2.389 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852190714 654224407 /nfs/dbraw/zinc/22/44/07/654224407.db2.gz FEYPOPCLBMASSJ-ABAIWWIYSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000852190714 654224413 /nfs/dbraw/zinc/22/44/13/654224413.db2.gz FEYPOPCLBMASSJ-ABAIWWIYSA-N 1 2 376.284 2.047 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000852188906 654224675 /nfs/dbraw/zinc/22/46/75/654224675.db2.gz QMVIRVRUXQGUKH-HNNXBMFYSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000852188906 654224680 /nfs/dbraw/zinc/22/46/80/654224680.db2.gz QMVIRVRUXQGUKH-HNNXBMFYSA-N 1 2 390.311 2.437 20 0 GEADLO COc1cc(OC)c([C@@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1Cl ZINC000903229647 654229824 /nfs/dbraw/zinc/22/98/24/654229824.db2.gz MBDBWTJRZSKTLT-SNVBAGLBSA-N 1 2 398.934 2.065 20 0 GEADLO COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)Cc1c[nH+]cn1C ZINC000871396669 654232469 /nfs/dbraw/zinc/23/24/69/654232469.db2.gz LDFRNSDODMYMPR-CYBMUJFWSA-N 1 2 386.271 2.159 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)CCc2c(F)cccc2F)n1 ZINC000921084387 654235418 /nfs/dbraw/zinc/23/54/18/654235418.db2.gz XICRXNPJKHWOTN-UHFFFAOYSA-N 1 2 375.466 2.145 20 0 GEADLO C[C@@H](COC1CCCC1)CS(=O)(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921093249 654235806 /nfs/dbraw/zinc/23/58/06/654235806.db2.gz MWLIDFLYJCADAC-ZDUSSCGKSA-N 1 2 375.560 2.219 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000921103752 654236202 /nfs/dbraw/zinc/23/62/02/654236202.db2.gz BEOVAESTPOGTJQ-UHFFFAOYSA-N 1 2 381.523 2.397 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852431196 654238386 /nfs/dbraw/zinc/23/83/86/654238386.db2.gz GIIZNZLRHNKBEY-RISCZKNCSA-N 1 2 382.258 2.303 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852431196 654238395 /nfs/dbraw/zinc/23/83/95/654238395.db2.gz GIIZNZLRHNKBEY-RISCZKNCSA-N 1 2 382.258 2.303 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852431194 654238700 /nfs/dbraw/zinc/23/87/00/654238700.db2.gz GIIZNZLRHNKBEY-BXUZGUMPSA-N 1 2 382.258 2.303 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852431194 654238703 /nfs/dbraw/zinc/23/87/03/654238703.db2.gz GIIZNZLRHNKBEY-BXUZGUMPSA-N 1 2 382.258 2.303 20 0 GEADLO Cc1cccc(C[NH+]2CCC(n3nncc3I)CC2)n1 ZINC000852532549 654246274 /nfs/dbraw/zinc/24/62/74/654246274.db2.gz LSQNFLMFRKHDRY-UHFFFAOYSA-N 1 2 383.237 2.423 20 0 GEADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC2(n3cc(Br)cn3)CC2)[nH]n1 ZINC000832256244 654254192 /nfs/dbraw/zinc/25/41/92/654254192.db2.gz CBHDNBNNVPINEO-AWEZNQCLSA-N 1 2 393.289 2.055 20 0 GEADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC2(n3cc(Br)cn3)CC2)[nH]n1 ZINC000832256244 654254194 /nfs/dbraw/zinc/25/41/94/654254194.db2.gz CBHDNBNNVPINEO-AWEZNQCLSA-N 1 2 393.289 2.055 20 0 GEADLO C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@@H](CC(F)(F)F)O1 ZINC000852740898 654258518 /nfs/dbraw/zinc/25/85/18/654258518.db2.gz FKDBYGDSBAAUOB-VHSXEESVSA-N 1 2 379.404 2.217 20 0 GEADLO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@@H](CC(F)(F)F)O1 ZINC000852740898 654258521 /nfs/dbraw/zinc/25/85/21/654258521.db2.gz FKDBYGDSBAAUOB-VHSXEESVSA-N 1 2 379.404 2.217 20 0 GEADLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000832414972 654265201 /nfs/dbraw/zinc/26/52/01/654265201.db2.gz NKUKAUSUPOKOOC-LLVKDONJSA-N 1 2 392.880 2.371 20 0 GEADLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000832414972 654265202 /nfs/dbraw/zinc/26/52/02/654265202.db2.gz NKUKAUSUPOKOOC-LLVKDONJSA-N 1 2 392.880 2.371 20 0 GEADLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000832414974 654265364 /nfs/dbraw/zinc/26/53/64/654265364.db2.gz NKUKAUSUPOKOOC-NSHDSACASA-N 1 2 392.880 2.371 20 0 GEADLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000832414974 654265368 /nfs/dbraw/zinc/26/53/68/654265368.db2.gz NKUKAUSUPOKOOC-NSHDSACASA-N 1 2 392.880 2.371 20 0 GEADLO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C)cc1Cl ZINC000921412779 654265481 /nfs/dbraw/zinc/26/54/81/654265481.db2.gz VMZGLQSFHTUDST-JTQLQIEISA-N 1 2 383.297 2.001 20 0 GEADLO COCCOc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C)cc1Cl ZINC000921412779 654265484 /nfs/dbraw/zinc/26/54/84/654265484.db2.gz VMZGLQSFHTUDST-JTQLQIEISA-N 1 2 383.297 2.001 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000852908273 654267537 /nfs/dbraw/zinc/26/75/37/654267537.db2.gz KTQDCBKCWHLELC-OAHLLOKOSA-N 1 2 391.269 2.032 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)[C@H](C)C1 ZINC000832491736 654269742 /nfs/dbraw/zinc/26/97/42/654269742.db2.gz ZWXGVMAOPKLOPP-VXGBXAGGSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)[C@H](C)C1 ZINC000832491736 654269748 /nfs/dbraw/zinc/26/97/48/654269748.db2.gz ZWXGVMAOPKLOPP-VXGBXAGGSA-N 1 2 391.256 2.454 20 0 GEADLO CC(C)c1[nH+]ccn1CCNS(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000921525845 654278189 /nfs/dbraw/zinc/27/81/89/654278189.db2.gz CVLOMGXRMUYZLJ-QHCPKHFHSA-N 1 2 376.548 2.271 20 0 GEADLO Cc1cc(C)c(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c[nH+]1 ZINC000832634568 654282410 /nfs/dbraw/zinc/28/24/10/654282410.db2.gz PJOFWMASMXUEQZ-UHFFFAOYSA-N 1 2 388.898 2.234 20 0 GEADLO Cc1nc(NCCNS(=O)(=O)Cc2ccccc2)c(Br)c(C)[nH+]1 ZINC000853160996 654282904 /nfs/dbraw/zinc/28/29/04/654282904.db2.gz VFDSOGFGJKCWJQ-UHFFFAOYSA-N 1 2 399.314 2.387 20 0 GEADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832679282 654286865 /nfs/dbraw/zinc/28/68/65/654286865.db2.gz DDFIQYCABXSSIB-GXFFZTMASA-N 1 2 395.305 2.009 20 0 GEADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832679282 654286866 /nfs/dbraw/zinc/28/68/66/654286866.db2.gz DDFIQYCABXSSIB-GXFFZTMASA-N 1 2 395.305 2.009 20 0 GEADLO Cn1c[nH+]cc1Cc1noc(C[C@H]2C(=O)Nc3c2cccc3Br)n1 ZINC000904033749 654296802 /nfs/dbraw/zinc/29/68/02/654296802.db2.gz OEPBHMMNAKJEMI-LLVKDONJSA-N 1 2 388.225 2.435 20 0 GEADLO Cn1c[nH+]cc1Cc1noc(C[C@@H]2C(=O)Nc3c2cccc3Br)n1 ZINC000904033750 654296832 /nfs/dbraw/zinc/29/68/32/654296832.db2.gz OEPBHMMNAKJEMI-NSHDSACASA-N 1 2 388.225 2.435 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N(O)Cc1ccccc1Cl ZINC000904165951 654304076 /nfs/dbraw/zinc/30/40/76/654304076.db2.gz WWFDLXAIZJJFCC-KRWDZBQOSA-N 1 2 385.917 2.449 20 0 GEADLO Cc1nnc(C[N@H+](C)Cn2nc(Br)c(=O)c3ccccc32)s1 ZINC000853618522 654310619 /nfs/dbraw/zinc/31/06/19/654310619.db2.gz KIIJHTQEAQZTDZ-UHFFFAOYSA-N 1 2 380.271 2.408 20 0 GEADLO Cc1nnc(C[N@@H+](C)Cn2nc(Br)c(=O)c3ccccc32)s1 ZINC000853618522 654310624 /nfs/dbraw/zinc/31/06/24/654310624.db2.gz KIIJHTQEAQZTDZ-UHFFFAOYSA-N 1 2 380.271 2.408 20 0 GEADLO CCOC(=O)c1nc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)sc1C ZINC000872007558 654310688 /nfs/dbraw/zinc/31/06/88/654310688.db2.gz JFZLKTAOTSGQST-UHFFFAOYSA-N 1 2 383.495 2.491 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)ccc1Br ZINC000872007745 654310703 /nfs/dbraw/zinc/31/07/03/654310703.db2.gz LJHYYWFOAKDNBE-NSHDSACASA-N 1 2 398.282 2.142 20 0 GEADLO O=S1(=O)N=C(Cl)c2ccc(N3CCC[C@@H]([NH+]4CCOCC4)CC3)cc21 ZINC000853719605 654317549 /nfs/dbraw/zinc/31/75/49/654317549.db2.gz OALYMTYHRIDHGS-CYBMUJFWSA-N 1 2 383.901 2.065 20 0 GEADLO Brc1cccc(-n2ncc3c2nc[nH+]c3NC[C@@H]2COCCO2)c1 ZINC000891919502 654318041 /nfs/dbraw/zinc/31/80/41/654318041.db2.gz ZBURWECMSFYSEA-CYBMUJFWSA-N 1 2 390.241 2.405 20 0 GEADLO O=C([C@@H]1CCCC[N@H+]1Cc1cnc(CC(F)(F)F)s1)N1CCOCC1 ZINC000891918470 654318189 /nfs/dbraw/zinc/31/81/89/654318189.db2.gz PHSJNVUKRFGQBW-ZDUSSCGKSA-N 1 2 377.432 2.461 20 0 GEADLO O=C([C@@H]1CCCC[N@@H+]1Cc1cnc(CC(F)(F)F)s1)N1CCOCC1 ZINC000891918470 654318197 /nfs/dbraw/zinc/31/81/97/654318197.db2.gz PHSJNVUKRFGQBW-ZDUSSCGKSA-N 1 2 377.432 2.461 20 0 GEADLO CC(C)Nc1nc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)nc(NCCO)[nH+]1 ZINC000804704393 654318345 /nfs/dbraw/zinc/31/83/45/654318345.db2.gz GGOGWAOIHZKPGY-IINYFYTJSA-N 1 2 375.304 2.116 20 0 GEADLO CCn1cc(C[NH+]2CCN(c3ncc(Br)c(OC)n3)CC2)c(C)n1 ZINC000891929725 654319152 /nfs/dbraw/zinc/31/91/52/654319152.db2.gz QHDVTJFVKVVQCJ-UHFFFAOYSA-N 1 2 395.305 2.095 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872287272 654321677 /nfs/dbraw/zinc/32/16/77/654321677.db2.gz XRONPDVYTNJKHB-UHFFFAOYSA-N 1 2 383.286 2.329 20 0 GEADLO COc1ccc(Br)cc1C[N@H+]1CCNC(=O)CC12CCOCC2 ZINC000872287272 654321683 /nfs/dbraw/zinc/32/16/83/654321683.db2.gz XRONPDVYTNJKHB-UHFFFAOYSA-N 1 2 383.286 2.329 20 0 GEADLO Cc1nc(Cl)ccc1S(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000804938409 654326200 /nfs/dbraw/zinc/32/62/00/654326200.db2.gz XHYNNXJJGNPTCT-UHFFFAOYSA-N 1 2 387.933 2.357 20 0 GEADLO CC(C)(C)OCCC[NH+]1CCN(C(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000921850892 654330663 /nfs/dbraw/zinc/33/06/63/654330663.db2.gz PXUSDDBQAFFECQ-UHFFFAOYSA-N 1 2 390.600 2.268 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCCC[C@H]1c1ncc(Br)cn1 ZINC000905151173 654334827 /nfs/dbraw/zinc/33/48/27/654334827.db2.gz IIVZMULBODRZAY-ZDUSSCGKSA-N 1 2 379.262 2.372 20 0 GEADLO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1c(Cl)ccc(F)c1F ZINC000921911928 654340758 /nfs/dbraw/zinc/34/07/58/654340758.db2.gz UNPFRLDIWCMGLL-LLVKDONJSA-N 1 2 380.844 2.150 20 0 GEADLO O=S(=O)(NC[C@H]1CC[N@H+]1C1CCOCC1)c1c(Cl)ccc(F)c1F ZINC000921911928 654340762 /nfs/dbraw/zinc/34/07/62/654340762.db2.gz UNPFRLDIWCMGLL-LLVKDONJSA-N 1 2 380.844 2.150 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(C)CC1(Br)Br ZINC000834709055 654344726 /nfs/dbraw/zinc/34/47/26/654344726.db2.gz KDGDWZQNIHDMON-JQWIXIFHSA-N 1 2 398.139 2.062 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCSCc1ccnc(Cl)c1 ZINC000921940086 654345262 /nfs/dbraw/zinc/34/52/62/654345262.db2.gz KVALSNZBOMUMNR-OAHLLOKOSA-N 1 2 386.949 2.378 20 0 GEADLO C[NH+](C)C[C@H](NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1ccc(F)cc1 ZINC000872488455 654353658 /nfs/dbraw/zinc/35/36/58/654353658.db2.gz VZGREXNKTQFFOJ-PSLXWICFSA-N 1 2 379.523 2.159 20 0 GEADLO O=C(Cc1ccc(Cl)cc1Br)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000854352695 654354963 /nfs/dbraw/zinc/35/49/63/654354963.db2.gz IWQWPUCTCUBVAN-AWEZNQCLSA-N 1 2 386.721 2.151 20 0 GEADLO O=C(Cc1ccc(Cl)cc1Br)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000854352695 654354966 /nfs/dbraw/zinc/35/49/66/654354966.db2.gz IWQWPUCTCUBVAN-AWEZNQCLSA-N 1 2 386.721 2.151 20 0 GEADLO Cc1ccc(/C=C/C(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)c(Br)c1 ZINC000854353831 654354989 /nfs/dbraw/zinc/35/49/89/654354989.db2.gz HAKYQOWIDUIORP-SQRWCISFSA-N 1 2 378.314 2.277 20 0 GEADLO Cc1ccc(/C=C/C(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)c(Br)c1 ZINC000854353831 654354991 /nfs/dbraw/zinc/35/49/91/654354991.db2.gz HAKYQOWIDUIORP-SQRWCISFSA-N 1 2 378.314 2.277 20 0 GEADLO Cc1nn2cc(S(=O)(=O)N3CC[N@@H+](C)C[C@H]3CC(C)C)cnc2c1Cl ZINC000922026519 654356749 /nfs/dbraw/zinc/35/67/49/654356749.db2.gz PPUGHEAUSKYHIE-CYBMUJFWSA-N 1 2 385.921 2.042 20 0 GEADLO Cc1nn2cc(S(=O)(=O)N3CC[N@H+](C)C[C@H]3CC(C)C)cnc2c1Cl ZINC000922026519 654356758 /nfs/dbraw/zinc/35/67/58/654356758.db2.gz PPUGHEAUSKYHIE-CYBMUJFWSA-N 1 2 385.921 2.042 20 0 GEADLO CC1=NO[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000854416401 654359907 /nfs/dbraw/zinc/35/99/07/654359907.db2.gz GJKSMCAZPCPLMG-CYBMUJFWSA-N 1 2 381.230 2.432 20 0 GEADLO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC000854431288 654360682 /nfs/dbraw/zinc/36/06/82/654360682.db2.gz UWWCCBWDDFMYQK-UHFFFAOYSA-N 1 2 387.933 2.477 20 0 GEADLO CCOc1ccc(OC[C@@H](O)C[NH2+]Cc2ncc(Br)cn2)cc1 ZINC000905668586 654373048 /nfs/dbraw/zinc/37/30/48/654373048.db2.gz PMSUZVHTFQSGIQ-ZDUSSCGKSA-N 1 2 382.258 2.167 20 0 GEADLO O[C@@H](C[NH2+]Cc1ncc(Br)cn1)COc1cccc2[nH]ccc21 ZINC000905670212 654373131 /nfs/dbraw/zinc/37/31/31/654373131.db2.gz ZWAAQOBSSVLOAP-LBPRGKRZSA-N 1 2 377.242 2.250 20 0 GEADLO CCn1c(C[NH2+][C@H](C)C(=O)NC(C)C)nc(Br)c1Br ZINC000922184531 654374512 /nfs/dbraw/zinc/37/45/12/654374512.db2.gz NNIQKSYYKQYWER-MRVPVSSYSA-N 1 2 396.127 2.431 20 0 GEADLO C[C@]1([C@H]2CCC[N@H+](Cn3nc(N4CCCC4)sc3=S)C2)COC(=O)N1 ZINC000905707181 654376262 /nfs/dbraw/zinc/37/62/62/654376262.db2.gz JWISYZGWOZDYLM-BLLLJJGKSA-N 1 2 383.543 2.442 20 0 GEADLO C[C@]1([C@H]2CCC[N@@H+](Cn3nc(N4CCCC4)sc3=S)C2)COC(=O)N1 ZINC000905707181 654376264 /nfs/dbraw/zinc/37/62/64/654376264.db2.gz JWISYZGWOZDYLM-BLLLJJGKSA-N 1 2 383.543 2.442 20 0 GEADLO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854725972 654379578 /nfs/dbraw/zinc/37/95/78/654379578.db2.gz DOSNALNZGVANMQ-WBVHZDCISA-N 1 2 395.297 2.076 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NCc2ccc(C[S@@](C)=O)cc2)n1 ZINC000922473585 654396284 /nfs/dbraw/zinc/39/62/84/654396284.db2.gz MEDJDAACZOKZBK-RUZDIDTESA-N 1 2 380.539 2.083 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1Br ZINC000922577165 654401631 /nfs/dbraw/zinc/40/16/31/654401631.db2.gz MVUWYIUNSZMXHD-CQSZACIVSA-N 1 2 397.298 2.127 20 0 GEADLO CO[C@]1(C[NH2+]Cc2csc(COc3ccccc3)n2)CCS(=O)(=O)C1 ZINC000922614984 654403128 /nfs/dbraw/zinc/40/31/28/654403128.db2.gz GYJPTQYCLJPFHW-KRWDZBQOSA-N 1 2 382.507 2.015 20 0 GEADLO O=C(C[NH2+]Cc1cccc(F)c1I)NCC(F)(F)F ZINC000873015840 654410287 /nfs/dbraw/zinc/41/02/87/654410287.db2.gz ZHIKTSAOPDYUQJ-UHFFFAOYSA-N 1 2 390.118 2.198 20 0 GEADLO CC[NH+](CC)CCOc1ccccc1NS(=O)(=O)N=S1(=O)CCCC1 ZINC000906057014 654410564 /nfs/dbraw/zinc/41/05/64/654410564.db2.gz FMAKDZTUGZKZNH-UHFFFAOYSA-N 1 2 389.543 2.326 20 0 GEADLO Cc1ccc(NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c(OCC[NH+](C)C)c1 ZINC000906057658 654410483 /nfs/dbraw/zinc/41/04/83/654410483.db2.gz KQJJTZKJIODKPU-DEOSSOPVSA-N 1 2 391.559 2.488 20 0 GEADLO O=S(=O)(N=S1(=O)CCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000906065710 654412475 /nfs/dbraw/zinc/41/24/75/654412475.db2.gz VLMUEGLDFSXBFE-UHFFFAOYSA-N 1 2 389.568 2.154 20 0 GEADLO C[NH+]1CCN(c2ccc(N[C@@H]3CCNC(=O)CC3)cc2Br)CC1 ZINC000873112561 654416301 /nfs/dbraw/zinc/41/63/01/654416301.db2.gz CYHSPLCASSOIOK-ZDUSSCGKSA-N 1 2 381.318 2.282 20 0 GEADLO Cc1c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)nnn1-c1ccccc1Br ZINC000906197940 654420471 /nfs/dbraw/zinc/42/04/71/654420471.db2.gz BCHPODVBPLAYJS-NSHDSACASA-N 1 2 389.257 2.353 20 0 GEADLO Cc1cc[nH+]c(N)c1CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000893905978 654430437 /nfs/dbraw/zinc/43/04/37/654430437.db2.gz SZFPMFNZHCHGMI-UHFFFAOYSA-N 1 2 386.930 2.194 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000893946050 654433030 /nfs/dbraw/zinc/43/30/30/654433030.db2.gz KFNDEVXODROCBS-WCQYABFASA-N 1 2 382.473 2.186 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000893946050 654433034 /nfs/dbraw/zinc/43/30/34/654433034.db2.gz KFNDEVXODROCBS-WCQYABFASA-N 1 2 382.473 2.186 20 0 GEADLO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000923238731 654436034 /nfs/dbraw/zinc/43/60/34/654436034.db2.gz NHZBUTFMWGQHPZ-JKSUJKDBSA-N 1 2 385.302 2.353 20 0 GEADLO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000923238731 654436040 /nfs/dbraw/zinc/43/60/40/654436040.db2.gz NHZBUTFMWGQHPZ-JKSUJKDBSA-N 1 2 385.302 2.353 20 0 GEADLO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000923238731 654436045 /nfs/dbraw/zinc/43/60/45/654436045.db2.gz NHZBUTFMWGQHPZ-JKSUJKDBSA-N 1 2 385.302 2.353 20 0 GEADLO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000923238731 654436051 /nfs/dbraw/zinc/43/60/51/654436051.db2.gz NHZBUTFMWGQHPZ-JKSUJKDBSA-N 1 2 385.302 2.353 20 0 GEADLO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2ccsc2C(=O)OC)cc1 ZINC000894031666 654440754 /nfs/dbraw/zinc/44/07/54/654440754.db2.gz HXGLBSXRLLFIKF-UHFFFAOYSA-N 1 2 383.491 2.245 20 0 GEADLO CCc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000873667119 654446034 /nfs/dbraw/zinc/44/60/34/654446034.db2.gz AZOTZMNIYWQZBK-LLVKDONJSA-N 1 2 379.258 2.351 20 0 GEADLO O=C(c1nscc1I)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000906543625 654447583 /nfs/dbraw/zinc/44/75/83/654447583.db2.gz WXZRJCCVFCBPKY-QMMMGPOBSA-N 1 2 388.234 2.491 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894113321 654447729 /nfs/dbraw/zinc/44/77/29/654447729.db2.gz HDXKCJDDOCDDEJ-LLVKDONJSA-N 1 2 383.461 2.248 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000894113321 654447731 /nfs/dbraw/zinc/44/77/31/654447731.db2.gz HDXKCJDDOCDDEJ-LLVKDONJSA-N 1 2 383.461 2.248 20 0 GEADLO NC(=O)[C@H]([NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2)c1cccc(Br)c1 ZINC000894150645 654450736 /nfs/dbraw/zinc/45/07/36/654450736.db2.gz DJEOETJNZJYCJW-BFHYXJOUSA-N 1 2 387.249 2.199 20 0 GEADLO CN(C)C(=O)c1cccc(C[NH2+]Cc2cn(C)nc2I)c1 ZINC000894164452 654451683 /nfs/dbraw/zinc/45/16/83/654451683.db2.gz HNABWKOICXYYDP-UHFFFAOYSA-N 1 2 398.248 2.016 20 0 GEADLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)NCc1cnc(Br)cn1 ZINC000923554396 654468359 /nfs/dbraw/zinc/46/83/59/654468359.db2.gz IRQOSTJUFKVRGB-GFCCVEGCSA-N 1 2 379.262 2.409 20 0 GEADLO CC(C)C[C@H]([NH2+]Cc1nc(Br)nn1C)C(=O)Nc1nccs1 ZINC000894360109 654469474 /nfs/dbraw/zinc/46/94/74/654469474.db2.gz VOYHCKHYUPWQLQ-VIFPVBQESA-N 1 2 387.307 2.177 20 0 GEADLO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2ncc(Br)cc2O)C1 ZINC000894405724 654473147 /nfs/dbraw/zinc/47/31/47/654473147.db2.gz LPTIMBMVRKAMHD-ZDUSSCGKSA-N 1 2 383.290 2.320 20 0 GEADLO COCC[C@H]([NH2+]Cc1cn(C)nc1I)c1ccco1 ZINC000894431184 654475486 /nfs/dbraw/zinc/47/54/86/654475486.db2.gz OGJIHGKJAWCDQC-NSHDSACASA-N 1 2 375.210 2.485 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000894571926 654487614 /nfs/dbraw/zinc/48/76/14/654487614.db2.gz AEGQRGWVQDDRNM-OLZOCXBDSA-N 1 2 384.489 2.434 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000894571926 654487618 /nfs/dbraw/zinc/48/76/18/654487618.db2.gz AEGQRGWVQDDRNM-OLZOCXBDSA-N 1 2 384.489 2.434 20 0 GEADLO Cn1cc(C[NH2+]Cc2ccnc(OC(F)F)c2)c(I)n1 ZINC000894692657 654494879 /nfs/dbraw/zinc/49/48/79/654494879.db2.gz ISNWEWDBEVKAAU-UHFFFAOYSA-N 1 2 394.163 2.311 20 0 GEADLO C[C@H](c1noc(C(C)(C)C[NH+]2CCOCC2)n1)n1cc(Br)cn1 ZINC000924107690 654501212 /nfs/dbraw/zinc/50/12/12/654501212.db2.gz XINUFWHQSZFYNX-LLVKDONJSA-N 1 2 384.278 2.248 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1nscc1I ZINC000907047706 654503452 /nfs/dbraw/zinc/50/34/52/654503452.db2.gz QXUQHBHNWVBLMQ-UHFFFAOYSA-N 1 2 376.223 2.107 20 0 GEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)c2nccnc2c1 ZINC000924273075 654509178 /nfs/dbraw/zinc/50/91/78/654509178.db2.gz CVSIXPJKLMLBST-BETUJISGSA-N 1 2 392.253 2.412 20 0 GEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)c2nccnc2c1 ZINC000924273075 654509181 /nfs/dbraw/zinc/50/91/81/654509181.db2.gz CVSIXPJKLMLBST-BETUJISGSA-N 1 2 392.253 2.412 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2nscc2I)C1 ZINC000907133981 654513058 /nfs/dbraw/zinc/51/30/58/654513058.db2.gz VKNYZJDIJJYZBB-QMMMGPOBSA-N 1 2 388.234 2.111 20 0 GEADLO O=S(=O)(N[C@H]1CCn2cc[nH+]c2C1)c1c[nH]c2cc(Br)ccc21 ZINC000907137236 654513498 /nfs/dbraw/zinc/51/34/98/654513498.db2.gz OCCXWXLHMLEBST-NSHDSACASA-N 1 2 395.282 2.420 20 0 GEADLO Cn1cc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(Br)n1 ZINC000924563376 654519230 /nfs/dbraw/zinc/51/92/30/654519230.db2.gz KYMHJTJHMZRSQT-LLVKDONJSA-N 1 2 381.278 2.005 20 0 GEADLO C/C(=C\C(=O)N[C@@H](CCO)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000907291459 654528292 /nfs/dbraw/zinc/52/82/92/654528292.db2.gz JZNDSOFQXXYTCN-VSOYFRJCSA-N 1 2 397.313 2.267 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCSC[C@@H]2c2nccs2)C1 ZINC000907458257 654545031 /nfs/dbraw/zinc/54/50/31/654545031.db2.gz WPYUAZGAXGJDRS-UONOGXRCSA-N 1 2 383.539 2.035 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCSC[C@@H]2c2nccs2)C1 ZINC000907458257 654545032 /nfs/dbraw/zinc/54/50/32/654545032.db2.gz WPYUAZGAXGJDRS-UONOGXRCSA-N 1 2 383.539 2.035 20 0 GEADLO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)c2ncco2)c1 ZINC000926418441 654570887 /nfs/dbraw/zinc/57/08/87/654570887.db2.gz RTGRDJPHTQNFDZ-NSHDSACASA-N 1 2 388.287 2.375 20 0 GEADLO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)c2ncco2)c1 ZINC000926418440 654570931 /nfs/dbraw/zinc/57/09/31/654570931.db2.gz RTGRDJPHTQNFDZ-LLVKDONJSA-N 1 2 388.287 2.375 20 0 GEADLO CO[C@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000907835927 654582450 /nfs/dbraw/zinc/58/24/50/654582450.db2.gz LBVQLPKJKUOXRC-FZMZJTMJSA-N 1 2 391.331 2.377 20 0 GEADLO C[C@@H](NCc1c(I)cnn1C)c1cn2c([nH+]1)CCCC2 ZINC000926810876 654582579 /nfs/dbraw/zinc/58/25/79/654582579.db2.gz AXZVFTCRBVDAQK-SNVBAGLBSA-N 1 2 385.253 2.408 20 0 GEADLO CCC(CC)[C@H](C(=O)N(C)Cc1ncc(Br)cn1)[NH+]1CCOCC1 ZINC000926976917 654586862 /nfs/dbraw/zinc/58/68/62/654586862.db2.gz FLSLPXVZKUBKIJ-MRXNPFEDSA-N 1 2 399.333 2.335 20 0 GEADLO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]Cc1nc2c(s1)COCC2 ZINC000927116756 654594572 /nfs/dbraw/zinc/59/45/72/654594572.db2.gz IUBQEBRAQCZJRD-GFCCVEGCSA-N 1 2 381.523 2.331 20 0 GEADLO COc1cc([C@@H](C)[NH2+]Cc2nc3c(s2)COCC3)ccc1S(C)(=O)=O ZINC000927118674 654594855 /nfs/dbraw/zinc/59/48/55/654594855.db2.gz UCUVTVZXYMTMBR-LLVKDONJSA-N 1 2 382.507 2.479 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)[C@@H](O)c2cccc(Br)c2)n1 ZINC000927762413 654612707 /nfs/dbraw/zinc/61/27/07/654612707.db2.gz ZXTKWAGVAKMERL-AWEZNQCLSA-N 1 2 384.299 2.317 20 0 GEADLO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C(=O)c1ccc(Br)s1 ZINC000928079305 654629032 /nfs/dbraw/zinc/62/90/32/654629032.db2.gz MEOLXVCCXRXCQA-ZJUUUORDSA-N 1 2 389.340 2.389 20 0 GEADLO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C(=O)c1ccc(Br)s1 ZINC000928079305 654629040 /nfs/dbraw/zinc/62/90/40/654629040.db2.gz MEOLXVCCXRXCQA-ZJUUUORDSA-N 1 2 389.340 2.389 20 0 GEADLO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000908606830 654635796 /nfs/dbraw/zinc/63/57/96/654635796.db2.gz QVZFYYFVPXVOSE-UHFFFAOYSA-N 1 2 389.265 2.259 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](OC)c1ccc(Br)s1 ZINC000928635846 654653669 /nfs/dbraw/zinc/65/36/69/654653669.db2.gz NPWNGJQQILBBTJ-SMDDNHRTSA-N 1 2 391.331 2.425 20 0 GEADLO Cc1nc(C)c(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)[nH]1 ZINC000909261408 654657782 /nfs/dbraw/zinc/65/77/82/654657782.db2.gz HXMQGDULQFDDHS-UHFFFAOYSA-N 1 2 393.289 2.188 20 0 GEADLO CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000929309829 654679085 /nfs/dbraw/zinc/67/90/85/654679085.db2.gz AGVQVQKAHZWZQY-SJORKVTESA-N 1 2 397.313 2.287 20 0 GEADLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CC[S@@](=O)C(F)(F)F ZINC000929348403 654680621 /nfs/dbraw/zinc/68/06/21/654680621.db2.gz QLPSPJVMSQKFAO-HSZRJFAPSA-N 1 2 387.445 2.059 20 0 GEADLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CC[S@@](=O)C(F)(F)F ZINC000929348403 654680623 /nfs/dbraw/zinc/68/06/23/654680623.db2.gz QLPSPJVMSQKFAO-HSZRJFAPSA-N 1 2 387.445 2.059 20 0 GEADLO C[N@H+](CCO[C@H]1CCOC1)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000930299806 654705229 /nfs/dbraw/zinc/70/52/29/654705229.db2.gz JBNAILFEWBMPPS-INIZCTEOSA-N 1 2 381.274 2.267 20 0 GEADLO C[N@@H+](CCO[C@H]1CCOC1)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000930299806 654705231 /nfs/dbraw/zinc/70/52/31/654705231.db2.gz JBNAILFEWBMPPS-INIZCTEOSA-N 1 2 381.274 2.267 20 0 GEADLO CCS[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000930439246 654710302 /nfs/dbraw/zinc/71/03/02/654710302.db2.gz IKUDRHZHPMHLDJ-TZMCWYRMSA-N 1 2 384.571 2.001 20 0 GEADLO Cc1cccc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1Br ZINC000930523720 654712231 /nfs/dbraw/zinc/71/22/31/654712231.db2.gz WWVYMFCZUJQUTM-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO Cc1cccc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1Br ZINC000930523720 654712232 /nfs/dbraw/zinc/71/22/32/654712232.db2.gz WWVYMFCZUJQUTM-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO Cc1ccc(NC(=O)NCc2nc(C[NH+](C)C)cs2)cc1S(C)(=O)=O ZINC000930562789 654713858 /nfs/dbraw/zinc/71/38/58/654713858.db2.gz RJCPMTUGUMCKLP-UHFFFAOYSA-N 1 2 382.511 2.238 20 0 GEADLO C[S@@](=N)(=O)N1CC[NH+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000931612161 654749324 /nfs/dbraw/zinc/74/93/24/654749324.db2.gz XEFVRBNNUXFTLG-SUXZAAGHSA-N 1 2 377.432 2.378 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)n1 ZINC000931648937 654751000 /nfs/dbraw/zinc/75/10/00/654751000.db2.gz WBYMJBXEMQMKSX-UHFFFAOYSA-N 1 2 386.474 2.069 20 0 GEADLO O=C(c1cc(Br)cn2ncnc12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000931770503 654756514 /nfs/dbraw/zinc/75/65/14/654756514.db2.gz FTGQZCNLGVDBTB-SNVBAGLBSA-N 1 2 375.230 2.235 20 0 GEADLO C[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1ncc(Br)cn1 ZINC000931869719 654759628 /nfs/dbraw/zinc/75/96/28/654759628.db2.gz ZWVQLTZHTMTEEJ-UHFFFAOYSA-N 1 2 382.237 2.421 20 0 GEADLO C[N@@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1ncc(Br)cn1 ZINC000931869719 654759629 /nfs/dbraw/zinc/75/96/29/654759629.db2.gz ZWVQLTZHTMTEEJ-UHFFFAOYSA-N 1 2 382.237 2.421 20 0 GEADLO COc1ccccc1COC[C@H](O)C[N@H+](C)Cc1ncc(Br)cn1 ZINC000931870383 654759886 /nfs/dbraw/zinc/75/98/86/654759886.db2.gz GETNVZROFAORHK-OAHLLOKOSA-N 1 2 396.285 2.257 20 0 GEADLO COc1ccccc1COC[C@H](O)C[N@@H+](C)Cc1ncc(Br)cn1 ZINC000931870383 654759890 /nfs/dbraw/zinc/75/98/90/654759890.db2.gz GETNVZROFAORHK-OAHLLOKOSA-N 1 2 396.285 2.257 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCc2ccc(Br)c(F)c2C1 ZINC000932010982 654763895 /nfs/dbraw/zinc/76/38/95/654763895.db2.gz JXAKBOIFQZHEMD-DGCLKSJQSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@H+]1CCc2ccc(Br)c(F)c2C1 ZINC000932010982 654763899 /nfs/dbraw/zinc/76/38/99/654763899.db2.gz JXAKBOIFQZHEMD-DGCLKSJQSA-N 1 2 376.266 2.359 20 0 GEADLO C[C@@H](NC(=O)c1cc2cc(Br)cnc2n1C)[C@@H](C)[NH+]1CCOCC1 ZINC000932054237 654765086 /nfs/dbraw/zinc/76/50/86/654765086.db2.gz IOZXJBZQGWEVHM-VXGBXAGGSA-N 1 2 395.301 2.175 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)n1 ZINC000932055636 654765128 /nfs/dbraw/zinc/76/51/28/654765128.db2.gz TUJFFTZTIGHIEJ-NEPJUHHUSA-N 1 2 385.306 2.202 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)[C@@H](CO)C1 ZINC000912740700 654766042 /nfs/dbraw/zinc/76/60/42/654766042.db2.gz AXMXEXWRHLPESC-SNVBAGLBSA-N 1 2 381.192 2.216 20 0 GEADLO C[N@H+]1CCN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)[C@@H](CO)C1 ZINC000912740700 654766045 /nfs/dbraw/zinc/76/60/45/654766045.db2.gz AXMXEXWRHLPESC-SNVBAGLBSA-N 1 2 381.192 2.216 20 0 GEADLO O=C(c1cnc(CCC(F)(F)F)s1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000932162957 654768587 /nfs/dbraw/zinc/76/85/87/654768587.db2.gz SALYQIKFHGKSOZ-RYUDHWBXSA-N 1 2 377.432 2.309 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000932485553 654779133 /nfs/dbraw/zinc/77/91/33/654779133.db2.gz AKZVEWISBUPEMV-UHFFFAOYSA-N 1 2 393.285 2.187 20 0 GEADLO O=C(Nc1nccc(Br)c1O)C1CCC([NH+]2CCOCC2)CC1 ZINC000913026899 654779779 /nfs/dbraw/zinc/77/97/79/654779779.db2.gz BUXDOGFZWOUOOD-UHFFFAOYSA-N 1 2 384.274 2.379 20 0 GEADLO Cc1ncc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1Br ZINC000932768256 654789058 /nfs/dbraw/zinc/78/90/58/654789058.db2.gz GXLDXPMETGFTSP-ZDUSSCGKSA-N 1 2 383.290 2.399 20 0 GEADLO O[C@@]1(c2ccc(Br)cc2)CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000932808991 654791213 /nfs/dbraw/zinc/79/12/13/654791213.db2.gz JNGYWRKZBGFSRC-INIZCTEOSA-N 1 2 378.274 2.254 20 0 GEADLO O[C@@]1(c2ccc(Br)cc2)CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000932808991 654791216 /nfs/dbraw/zinc/79/12/16/654791216.db2.gz JNGYWRKZBGFSRC-INIZCTEOSA-N 1 2 378.274 2.254 20 0 GEADLO CCN(C(=O)C[N@@H+]1CCC[C@]1(C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000932929905 654794411 /nfs/dbraw/zinc/79/44/11/654794411.db2.gz LRYKPVWLSJFNMW-MAUKXSAKSA-N 1 2 384.567 2.181 20 0 GEADLO CCN(C(=O)C[N@H+]1CCC[C@]1(C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000932929905 654794412 /nfs/dbraw/zinc/79/44/12/654794412.db2.gz LRYKPVWLSJFNMW-MAUKXSAKSA-N 1 2 384.567 2.181 20 0 GEADLO COc1cccc([C@H]2CN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)CC[NH2+]2)c1 ZINC000913480659 654795190 /nfs/dbraw/zinc/79/51/90/654795190.db2.gz NFDJFSZSGSFQSB-OLZOCXBDSA-N 1 2 381.687 2.289 20 0 GEADLO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000932952965 654797113 /nfs/dbraw/zinc/79/71/13/654797113.db2.gz SQXNQOHEYWSQTN-SECBINFHSA-N 1 2 399.257 2.161 20 0 GEADLO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000932952965 654797114 /nfs/dbraw/zinc/79/71/14/654797114.db2.gz SQXNQOHEYWSQTN-SECBINFHSA-N 1 2 399.257 2.161 20 0 GEADLO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000932952966 654797135 /nfs/dbraw/zinc/79/71/35/654797135.db2.gz SQXNQOHEYWSQTN-VIFPVBQESA-N 1 2 399.257 2.161 20 0 GEADLO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000932952966 654797136 /nfs/dbraw/zinc/79/71/36/654797136.db2.gz SQXNQOHEYWSQTN-VIFPVBQESA-N 1 2 399.257 2.161 20 0 GEADLO O=c1cc(C[N@@H+]2CCOC[C@@H]2CC2CC2)nc2ccc(Br)cn12 ZINC000933209316 654805269 /nfs/dbraw/zinc/80/52/69/654805269.db2.gz DDLQUDNMAQHGKQ-HNNXBMFYSA-N 1 2 378.270 2.458 20 0 GEADLO O=c1cc(C[N@H+]2CCOC[C@@H]2CC2CC2)nc2ccc(Br)cn12 ZINC000933209316 654805270 /nfs/dbraw/zinc/80/52/70/654805270.db2.gz DDLQUDNMAQHGKQ-HNNXBMFYSA-N 1 2 378.270 2.458 20 0 GEADLO C[C@](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)(C1CC1)C(F)(F)F ZINC000933593764 654817633 /nfs/dbraw/zinc/81/76/33/654817633.db2.gz VACQSPIACSDBOE-LSDHHAIUSA-N 1 2 381.464 2.225 20 0 GEADLO O=C(N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000914172941 654832040 /nfs/dbraw/zinc/83/20/40/654832040.db2.gz YHRCJQVAWVZJJY-ULFGMLNVSA-N 1 2 390.281 2.374 20 0 GEADLO Cn1cc([C@H]2CSCCC[N@@H+]2C[C@@H](O)c2cc(Br)no2)cn1 ZINC000933973232 654832245 /nfs/dbraw/zinc/83/22/45/654832245.db2.gz IZXUFHJSKPTDGI-VXGBXAGGSA-N 1 2 387.303 2.384 20 0 GEADLO Cn1cc([C@H]2CSCCC[N@H+]2C[C@@H](O)c2cc(Br)no2)cn1 ZINC000933973232 654832248 /nfs/dbraw/zinc/83/22/48/654832248.db2.gz IZXUFHJSKPTDGI-VXGBXAGGSA-N 1 2 387.303 2.384 20 0 GEADLO O=C(N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000914174954 654832578 /nfs/dbraw/zinc/83/25/78/654832578.db2.gz KNGGVMMFOVJLBG-WBOJAVRRSA-N 1 2 376.254 2.442 20 0 GEADLO O=C(N[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000914174954 654832581 /nfs/dbraw/zinc/83/25/81/654832581.db2.gz KNGGVMMFOVJLBG-WBOJAVRRSA-N 1 2 376.254 2.442 20 0 GEADLO O=S(=O)(Cc1ccc(F)cc1Br)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000914397811 654850892 /nfs/dbraw/zinc/85/08/92/654850892.db2.gz MJRTZBWGVFMPBY-GFCCVEGCSA-N 1 2 388.262 2.219 20 0 GEADLO CCOC(=O)c1ncc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)s1 ZINC000934757509 654858215 /nfs/dbraw/zinc/85/82/15/654858215.db2.gz VYFMAPNNZXYYIF-VWLOTQADSA-N 1 2 388.559 2.106 20 0 GEADLO CCOC(=O)/C=C\C[NH2+][C@@H](CO)c1ccccc1I ZINC000934826390 654861621 /nfs/dbraw/zinc/86/16/21/654861621.db2.gz LFRLEEZAEUFIKA-UJZCVKTISA-N 1 2 375.206 2.034 20 0 GEADLO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1I ZINC000934829747 654863069 /nfs/dbraw/zinc/86/30/69/654863069.db2.gz SPRRVUFVGIXPRJ-FZMZJTMJSA-N 1 2 390.265 2.170 20 0 GEADLO Cn1c[nH+]cc1CNS(=O)(=O)Cc1cccc(Cl)c1Br ZINC000915716516 654877305 /nfs/dbraw/zinc/87/73/05/654877305.db2.gz CGRLLTSXPCCLIH-UHFFFAOYSA-N 1 2 378.679 2.456 20 0 GEADLO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000916072726 654886879 /nfs/dbraw/zinc/88/68/79/654886879.db2.gz DVZXMWLUBQYAOP-UHFFFAOYSA-N 1 2 382.404 2.396 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000935487957 654896361 /nfs/dbraw/zinc/89/63/61/654896361.db2.gz KQTOAXNAMOPRFR-PWSUYJOCSA-N 1 2 389.253 2.203 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(=O)n(C)cc1Br ZINC000935642786 654906556 /nfs/dbraw/zinc/90/65/56/654906556.db2.gz NJXDZYPOUKFFNC-UHFFFAOYSA-N 1 2 395.301 2.459 20 0 GEADLO O=C(N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1(n2cc(Br)cn2)CC1 ZINC000935715296 654912033 /nfs/dbraw/zinc/91/20/33/654912033.db2.gz PGMUQAUVOMUEIC-CQSZACIVSA-N 1 2 377.242 2.210 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N[C@H]1CCc2c[nH+]cn2C1 ZINC000935923381 654927750 /nfs/dbraw/zinc/92/77/50/654927750.db2.gz RCVHYLOXIKYMDI-GXFFZTMASA-N 1 2 389.253 2.203 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1nc(Br)c2ccccn21 ZINC000935935222 654928716 /nfs/dbraw/zinc/92/87/16/654928716.db2.gz UCSZZAVEZNXEOP-OLZOCXBDSA-N 1 2 393.285 2.032 20 0 GEADLO NC(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164669437 719494972 /nfs/dbraw/zinc/49/49/72/719494972.db2.gz USSBNFQARYWSRZ-UHFFFAOYSA-N 1 2 384.455 2.191 20 0 GEADLO NC(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164669437 719494973 /nfs/dbraw/zinc/49/49/73/719494973.db2.gz USSBNFQARYWSRZ-UHFFFAOYSA-N 1 2 384.455 2.191 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2cc(F)ccc2n1 ZINC001164702574 719863159 /nfs/dbraw/zinc/86/31/59/719863159.db2.gz NZETTZXYXXPLRJ-JXFKEZNVSA-N 1 2 388.443 2.002 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(C(C)(C)C)n1 ZINC001164702305 719871221 /nfs/dbraw/zinc/87/12/21/719871221.db2.gz IDZXSUZYXBVSAU-IIBYNOLFSA-N 1 2 390.528 2.315 20 0 GEADLO F[C@@H](Oc1ccnc(Cl)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164826023 720397839 /nfs/dbraw/zinc/39/78/39/720397839.db2.gz APHHEKCQKJZOQB-MRXNPFEDSA-N 1 2 377.811 2.109 20 0 GEADLO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1S(C)(=O)=O)[C@H]2C ZINC001164860508 720945192 /nfs/dbraw/zinc/94/51/92/720945192.db2.gz QGSNQNQBFYTGMJ-AWEZNQCLSA-N 1 2 377.514 2.103 20 0 GEADLO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncccc1S(C)(=O)=O)[C@H]2C ZINC001164860508 720945198 /nfs/dbraw/zinc/94/51/98/720945198.db2.gz QGSNQNQBFYTGMJ-AWEZNQCLSA-N 1 2 377.514 2.103 20 0 GEADLO COc1ccc2ncc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc2c1 ZINC001165011274 721704963 /nfs/dbraw/zinc/70/49/63/721704963.db2.gz QHWMRQNQEAXBRH-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO COc1ccc2ncc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc2c1 ZINC001165011274 721704967 /nfs/dbraw/zinc/70/49/67/721704967.db2.gz QHWMRQNQEAXBRH-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO COc1ccc2nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)ncc2c1 ZINC001165010833 721706125 /nfs/dbraw/zinc/70/61/25/721706125.db2.gz NKPKUAILALWWSN-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO COc1ccc2nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)ncc2c1 ZINC001165010833 721706129 /nfs/dbraw/zinc/70/61/29/721706129.db2.gz NKPKUAILALWWSN-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccnc(-c3cccnc3)n1)C2 ZINC001165010412 721707186 /nfs/dbraw/zinc/70/71/86/721707186.db2.gz IDJNWEFJAWPOLN-UHFFFAOYSA-N 1 2 378.484 2.381 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccnc(-c3cccnc3)n1)C2 ZINC001165010412 721707194 /nfs/dbraw/zinc/70/71/94/721707194.db2.gz IDJNWEFJAWPOLN-UHFFFAOYSA-N 1 2 378.484 2.381 20 0 GEADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc5ncccc5n4)CCO3)C2)c1 ZINC001164911597 721780370 /nfs/dbraw/zinc/78/03/70/721780370.db2.gz HNUBXNBMYFVPFX-QFIPXVFZSA-N 1 2 391.475 2.133 20 0 GEADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc5ncccc5n4)CCO3)C2)c1 ZINC001164911597 721780375 /nfs/dbraw/zinc/78/03/75/721780375.db2.gz HNUBXNBMYFVPFX-QFIPXVFZSA-N 1 2 391.475 2.133 20 0 GEADLO CC(C)c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914826 721789521 /nfs/dbraw/zinc/78/95/21/721789521.db2.gz FYMZGFUWHQOPRZ-OAQYLSRUSA-N 1 2 383.496 2.103 20 0 GEADLO CC(C)c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914826 721789523 /nfs/dbraw/zinc/78/95/23/721789523.db2.gz FYMZGFUWHQOPRZ-OAQYLSRUSA-N 1 2 383.496 2.103 20 0 GEADLO CSc1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914474 721794657 /nfs/dbraw/zinc/79/46/57/721794657.db2.gz NRZCSYZIUXABGD-HXUWFJFHSA-N 1 2 386.521 2.306 20 0 GEADLO CSc1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914474 721794658 /nfs/dbraw/zinc/79/46/58/721794658.db2.gz NRZCSYZIUXABGD-HXUWFJFHSA-N 1 2 386.521 2.306 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(C(=O)N3CCCC3)ccn2)CC1 ZINC001164918680 721817677 /nfs/dbraw/zinc/81/76/77/721817677.db2.gz RBVWFXWKOMMVCD-UHFFFAOYSA-N 1 2 394.523 2.264 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncnc3c2ncn3C2CC2)CC1 ZINC001164918708 721819270 /nfs/dbraw/zinc/81/92/70/721819270.db2.gz RUFPFIHCPVPLFX-UHFFFAOYSA-N 1 2 378.484 2.107 20 0 GEADLO Nc1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164943666 721972488 /nfs/dbraw/zinc/97/24/88/721972488.db2.gz BGZJXHXQCWCUIB-UHFFFAOYSA-N 1 2 385.899 2.288 20 0 GEADLO Nc1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164943666 721972489 /nfs/dbraw/zinc/97/24/89/721972489.db2.gz BGZJXHXQCWCUIB-UHFFFAOYSA-N 1 2 385.899 2.288 20 0 GEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccnc(C3CC3)n1)CC2 ZINC001164946012 721975639 /nfs/dbraw/zinc/97/56/39/721975639.db2.gz IIXGDNPSGGNUMC-UHFFFAOYSA-N 1 2 377.492 2.325 20 0 GEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccnc(C3CC3)n1)CC2 ZINC001164946012 721975641 /nfs/dbraw/zinc/97/56/41/721975641.db2.gz IIXGDNPSGGNUMC-UHFFFAOYSA-N 1 2 377.492 2.325 20 0 GEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cnc3c(n1)CCCC3)CC2 ZINC001164949842 721980654 /nfs/dbraw/zinc/98/06/54/721980654.db2.gz QQMAVBLZXVKLIT-UHFFFAOYSA-N 1 2 391.519 2.326 20 0 GEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cnc3c(n1)CCCC3)CC2 ZINC001164949842 721980656 /nfs/dbraw/zinc/98/06/56/721980656.db2.gz QQMAVBLZXVKLIT-UHFFFAOYSA-N 1 2 391.519 2.326 20 0 GEADLO COC[C@@]12COC[C@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164951978 721992292 /nfs/dbraw/zinc/99/22/92/721992292.db2.gz NWKGINHQEWLMCF-GCJKJVERSA-N 1 2 380.492 2.134 20 0 GEADLO COC[C@@]12COC[C@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164951978 721992296 /nfs/dbraw/zinc/99/22/96/721992296.db2.gz NWKGINHQEWLMCF-GCJKJVERSA-N 1 2 380.492 2.134 20 0 GEADLO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164958363 722039013 /nfs/dbraw/zinc/03/90/13/722039013.db2.gz CWQUTCMGFBLLAT-WGMWDUQUSA-N 1 2 391.519 2.242 20 0 GEADLO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164958363 722039015 /nfs/dbraw/zinc/03/90/15/722039015.db2.gz CWQUTCMGFBLLAT-WGMWDUQUSA-N 1 2 391.519 2.242 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(N)[nH+]c3)C2)s1 ZINC000151697762 531514496 /nfs/dbraw/zinc/51/44/96/531514496.db2.gz RBUCOOXDKOGARL-LBPRGKRZSA-N 1 2 380.495 2.073 20 0 GEADLO C[C@H](CC[S@](C)=O)Nc1nc(N[C@H](C)CC[S@@](C)=O)[nH+]cc1Cl ZINC000489950599 531516225 /nfs/dbraw/zinc/51/62/25/531516225.db2.gz DYGWUEMUJILATF-HSOCHRCASA-N 1 2 380.967 2.268 20 0 GEADLO O=C(NCc1cc2c(c(Br)c1)OCO2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151735681 531516925 /nfs/dbraw/zinc/51/69/25/531516925.db2.gz YEALNAAVNGXKQG-LLVKDONJSA-N 1 2 378.226 2.253 20 0 GEADLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000151554582 531510329 /nfs/dbraw/zinc/51/03/29/531510329.db2.gz MCRRKKFBDVZSRW-UHFFFAOYSA-N 1 2 391.269 2.205 20 0 GEADLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000151554582 531510338 /nfs/dbraw/zinc/51/03/38/531510338.db2.gz MCRRKKFBDVZSRW-UHFFFAOYSA-N 1 2 391.269 2.205 20 0 GEADLO C[C@H](c1ccc(NS(=O)(=O)c2cn(C)c(Cl)n2)cc1)[NH+]1CCOCC1 ZINC000152239271 531537717 /nfs/dbraw/zinc/53/77/17/531537717.db2.gz CICVFYVYJSXKFM-GFCCVEGCSA-N 1 2 384.889 2.268 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000152260405 531540763 /nfs/dbraw/zinc/54/07/63/531540763.db2.gz PBFDARDVSMCTIT-UHFFFAOYSA-N 1 2 380.286 2.264 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000153137556 531590419 /nfs/dbraw/zinc/59/04/19/531590419.db2.gz CDAQHAMUHYJCDH-KRWDZBQOSA-N 1 2 389.297 2.188 20 0 GEADLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022010693 531590589 /nfs/dbraw/zinc/59/05/89/531590589.db2.gz FLALLFXLFQBGBT-SECBINFHSA-N 1 2 387.267 2.240 20 0 GEADLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022010693 531590586 /nfs/dbraw/zinc/59/05/86/531590586.db2.gz FLALLFXLFQBGBT-SECBINFHSA-N 1 2 387.267 2.240 20 0 GEADLO CCNc1nnc(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000023226490 531595564 /nfs/dbraw/zinc/59/55/64/531595564.db2.gz BFEJZAPQWJNVAJ-UHFFFAOYSA-N 1 2 377.539 2.406 20 0 GEADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCCN(C(N)=O)CC2)ccc1Br ZINC000153619418 531605298 /nfs/dbraw/zinc/60/52/98/531605298.db2.gz VPXVMDHFJJXZDM-GFCCVEGCSA-N 1 2 383.290 2.171 20 0 GEADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCCN(C(N)=O)CC2)ccc1Br ZINC000153619418 531605311 /nfs/dbraw/zinc/60/53/11/531605311.db2.gz VPXVMDHFJJXZDM-GFCCVEGCSA-N 1 2 383.290 2.171 20 0 GEADLO CCCCN(C(=O)CSc1[nH+]cc2ccccn21)[C@H]1CCS(=O)(=O)C1 ZINC000025037847 531611893 /nfs/dbraw/zinc/61/18/93/531611893.db2.gz YHHDBPWREHVEJI-HNNXBMFYSA-N 1 2 381.523 2.242 20 0 GEADLO CCOc1cc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc(Cl)c1OC ZINC000154045185 531619516 /nfs/dbraw/zinc/61/95/16/531619516.db2.gz JYYAJRKEVSFHEE-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO CCOc1cc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc(Cl)c1OC ZINC000154045185 531619528 /nfs/dbraw/zinc/61/95/28/531619528.db2.gz JYYAJRKEVSFHEE-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO O=C1NC[C@@H]2C[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CCN12 ZINC000154421956 531625171 /nfs/dbraw/zinc/62/51/71/531625171.db2.gz URTCUVZJGOAMMX-OAHLLOKOSA-N 1 2 388.269 2.116 20 0 GEADLO O=C1NC[C@@H]2C[N@@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CCN12 ZINC000154421956 531625174 /nfs/dbraw/zinc/62/51/74/531625174.db2.gz URTCUVZJGOAMMX-OAHLLOKOSA-N 1 2 388.269 2.116 20 0 GEADLO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)Cc1ccc(Br)o1 ZINC000030218568 531633903 /nfs/dbraw/zinc/63/39/03/531633903.db2.gz RTIJINKHIQUZNM-ZETCQYMHSA-N 1 2 386.168 2.251 20 0 GEADLO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030218568 531633908 /nfs/dbraw/zinc/63/39/08/531633908.db2.gz RTIJINKHIQUZNM-ZETCQYMHSA-N 1 2 386.168 2.251 20 0 GEADLO O=C(C[NH+]1CCC(OCCCO)CC1)Nc1ccc(Br)cc1F ZINC000154932155 531644441 /nfs/dbraw/zinc/64/44/41/531644441.db2.gz MDAXLVIBQVPODK-UHFFFAOYSA-N 1 2 389.265 2.390 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccc(Cl)cc1Br ZINC000155011771 531650622 /nfs/dbraw/zinc/65/06/22/531650622.db2.gz HGWKSIIPCGFHTJ-UHFFFAOYSA-N 1 2 385.649 2.444 20 0 GEADLO Cc1cc(Cl)ccc1S(=O)(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000032418566 531651133 /nfs/dbraw/zinc/65/11/33/531651133.db2.gz WPGQQFKZOHKJKH-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO CS[C@@H]1CCC[C@H](NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C1 ZINC000155175426 531662761 /nfs/dbraw/zinc/66/27/61/531662761.db2.gz GDTKLOWTPLRQMV-LSDHHAIUSA-N 1 2 384.567 2.426 20 0 GEADLO CC(C)(CNC(=O)NCc1cc(Br)cs1)[NH+]1CCOCC1 ZINC000043160879 531678483 /nfs/dbraw/zinc/67/84/83/531678483.db2.gz XLIJFACNALSIMP-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1ccc(F)c(F)c1F ZINC000043231541 531680891 /nfs/dbraw/zinc/68/08/91/531680891.db2.gz LJQKBEQXHDWYPQ-INIZCTEOSA-N 1 2 375.416 2.433 20 0 GEADLO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000155674802 531696844 /nfs/dbraw/zinc/69/68/44/531696844.db2.gz XYMPIFKRYJOGCK-UHFFFAOYSA-N 1 2 386.677 2.348 20 0 GEADLO Cc1cccn2cc(CS(=O)(=O)CC(=O)N(C)Cc3cccs3)[nH+]c12 ZINC000046183232 531700524 /nfs/dbraw/zinc/70/05/24/531700524.db2.gz IUAKKUYYFSYYTO-UHFFFAOYSA-N 1 2 377.491 2.278 20 0 GEADLO CC(=O)N1CC[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000155929073 531706596 /nfs/dbraw/zinc/70/65/96/531706596.db2.gz SRVIVJFXEZWCLX-IRXDYDNUSA-N 1 2 394.313 2.323 20 0 GEADLO C[C@@H]1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000156258859 531724290 /nfs/dbraw/zinc/72/42/90/531724290.db2.gz KFGLAXRIWKRTSH-BXUZGUMPSA-N 1 2 394.273 2.459 20 0 GEADLO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCn2cc[nH+]c2C1 ZINC000156262518 531725212 /nfs/dbraw/zinc/72/52/12/531725212.db2.gz VMDVQQWVGMBABM-RYUDHWBXSA-N 1 2 384.263 2.308 20 0 GEADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(Br)o2)C1 ZINC000048056919 531725614 /nfs/dbraw/zinc/72/56/14/531725614.db2.gz FTJYNEGZNQTQPB-GFCCVEGCSA-N 1 2 387.274 2.276 20 0 GEADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(Br)o2)C1 ZINC000048056919 531725641 /nfs/dbraw/zinc/72/56/41/531725641.db2.gz FTJYNEGZNQTQPB-GFCCVEGCSA-N 1 2 387.274 2.276 20 0 GEADLO Cc1csc(=O)n1CC[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000048021619 531725775 /nfs/dbraw/zinc/72/57/75/531725775.db2.gz RDVAPXDLYMGQNS-UHFFFAOYSA-N 1 2 379.913 2.259 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000156291677 531726234 /nfs/dbraw/zinc/72/62/34/531726234.db2.gz QTRAVFWWGVTBQM-RNCFNFMXSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156291677 531726242 /nfs/dbraw/zinc/72/62/42/531726242.db2.gz QTRAVFWWGVTBQM-RNCFNFMXSA-N 1 2 397.722 2.100 20 0 GEADLO Cc1nc(CCNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)cs1 ZINC000047741391 531719768 /nfs/dbraw/zinc/71/97/68/531719768.db2.gz GWPDWVVHWSJBRX-OAHLLOKOSA-N 1 2 380.539 2.428 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000049232578 531734599 /nfs/dbraw/zinc/73/45/99/531734599.db2.gz DIAUEUWRPBTTHP-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO CC(C)C(=O)NCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000157623884 531749712 /nfs/dbraw/zinc/74/97/12/531749712.db2.gz PTTSHPYSRCQOND-ZDUSSCGKSA-N 1 2 384.318 2.330 20 0 GEADLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000157623884 531749715 /nfs/dbraw/zinc/74/97/15/531749715.db2.gz PTTSHPYSRCQOND-ZDUSSCGKSA-N 1 2 384.318 2.330 20 0 GEADLO CC(=O)NC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000050992200 531737999 /nfs/dbraw/zinc/73/79/99/531737999.db2.gz AMOCFXYJOBIQMC-UHFFFAOYSA-N 1 2 375.803 2.480 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CCS(=O)(=O)C(C)(C)C1)c1ccsc1 ZINC000157320142 531738973 /nfs/dbraw/zinc/73/89/73/531738973.db2.gz JIEXTTUYKIHUCU-OAHLLOKOSA-N 1 2 387.571 2.350 20 0 GEADLO COc1cccc([C@H](CNC(=O)c2cc(S(C)(=O)=O)cs2)[NH+](C)C)c1 ZINC000157552401 531747562 /nfs/dbraw/zinc/74/75/62/531747562.db2.gz UIFUEELRJOVCGR-HNNXBMFYSA-N 1 2 382.507 2.193 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cn(C)nc3-c3cccs3)CC2)S1 ZINC000157627223 531750025 /nfs/dbraw/zinc/75/00/25/531750025.db2.gz RPWFBLYSPAQQMP-GFCCVEGCSA-N 1 2 375.523 2.398 20 0 GEADLO Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)C(=O)NCC(F)(F)F)CC2)s1 ZINC000158048261 531762881 /nfs/dbraw/zinc/76/28/81/531762881.db2.gz MIHSBHGMRFRAHX-NSHDSACASA-N 1 2 377.432 2.318 20 0 GEADLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1csc2ccccc12 ZINC000052805959 531750989 /nfs/dbraw/zinc/75/09/89/531750989.db2.gz ZWGFVRRVJDGNFP-HIFRSBDPSA-N 1 2 380.535 2.367 20 0 GEADLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1csc2ccccc12 ZINC000052805959 531750998 /nfs/dbraw/zinc/75/09/98/531750998.db2.gz ZWGFVRRVJDGNFP-HIFRSBDPSA-N 1 2 380.535 2.367 20 0 GEADLO CCCCNC(=O)NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158190092 531769584 /nfs/dbraw/zinc/76/95/84/531769584.db2.gz NENDORVONIFIJC-UHFFFAOYSA-N 1 2 376.284 2.414 20 0 GEADLO CCCCNC(=O)NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158190092 531769589 /nfs/dbraw/zinc/76/95/89/531769589.db2.gz NENDORVONIFIJC-UHFFFAOYSA-N 1 2 376.284 2.414 20 0 GEADLO C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1nc(-c2ccc(Br)cc2)no1 ZINC000162311807 531841741 /nfs/dbraw/zinc/84/17/41/531841741.db2.gz RWLAEOIWGZUHPU-GXFFZTMASA-N 1 2 395.257 2.007 20 0 GEADLO C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1nc(-c2ccc(Br)cc2)no1 ZINC000162311807 531841749 /nfs/dbraw/zinc/84/17/49/531841749.db2.gz RWLAEOIWGZUHPU-GXFFZTMASA-N 1 2 395.257 2.007 20 0 GEADLO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1Cl ZINC000162720407 531847342 /nfs/dbraw/zinc/84/73/42/531847342.db2.gz MWBKTVRDXAYCKM-LBPRGKRZSA-N 1 2 394.368 2.464 20 0 GEADLO O=C(C[NH+]1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1)N1CCCC1 ZINC000060782327 531847717 /nfs/dbraw/zinc/84/77/17/531847717.db2.gz BQVOTGMLFZECMG-UHFFFAOYSA-N 1 2 384.307 2.303 20 0 GEADLO Cc1nc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cs1 ZINC000062254097 531856341 /nfs/dbraw/zinc/85/63/41/531856341.db2.gz IQOJKRGKGGCFNT-INIZCTEOSA-N 1 2 381.523 2.199 20 0 GEADLO COc1ccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)cc1Br ZINC000061798379 531856709 /nfs/dbraw/zinc/85/67/09/531856709.db2.gz JPZORHXVMHHISJ-UHFFFAOYSA-N 1 2 396.329 2.198 20 0 GEADLO O=C1[C@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)CCN1C1CC1 ZINC000163627307 531862727 /nfs/dbraw/zinc/86/27/27/531862727.db2.gz HZDKQCVXYRJAQD-QGZVFWFLSA-N 1 2 378.314 2.330 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)CC[N@@H+]1CCOC ZINC000166019810 531874202 /nfs/dbraw/zinc/87/42/02/531874202.db2.gz DOJPAKIQAIRMDV-LBPRGKRZSA-N 1 2 380.432 2.225 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)CC[N@H+]1CCOC ZINC000166019810 531874212 /nfs/dbraw/zinc/87/42/12/531874212.db2.gz DOJPAKIQAIRMDV-LBPRGKRZSA-N 1 2 380.432 2.225 20 0 GEADLO COc1cccc(Nc2nnc(SC[C@H](O)C[NH+]3CCOCC3)s2)c1 ZINC000066400804 531874658 /nfs/dbraw/zinc/87/46/58/531874658.db2.gz KXPMMCCBFFSANJ-CYBMUJFWSA-N 1 2 382.511 2.076 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCc2cc(F)cc(Br)c2)CCO1 ZINC000171162881 531896072 /nfs/dbraw/zinc/89/60/72/531896072.db2.gz FWOARRVZEBMDAZ-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCc2cc(F)cc(Br)c2)CCO1 ZINC000171162881 531896077 /nfs/dbraw/zinc/89/60/77/531896077.db2.gz FWOARRVZEBMDAZ-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO Brc1cc2c(cc1C[NH+]1CCN(c3cccnn3)CC1)OCCO2 ZINC000170650238 531885592 /nfs/dbraw/zinc/88/55/92/531885592.db2.gz JIZHEIIQRVKXGB-UHFFFAOYSA-N 1 2 391.269 2.333 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000171417248 531906780 /nfs/dbraw/zinc/90/67/80/531906780.db2.gz SEMHXJKDIVOFHN-UHFFFAOYSA-N 1 2 384.249 2.474 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCc1ccc(Br)c(F)c1)[NH+]1CCOCC1 ZINC000171668629 531910731 /nfs/dbraw/zinc/91/07/31/531910731.db2.gz ZJRWCIPMCNYDSX-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO CC[NH+]1CCN([C@@H](C)CNC(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000171880270 531923105 /nfs/dbraw/zinc/92/31/05/531923105.db2.gz OOICZAMUPUCNIJ-LBPRGKRZSA-N 1 2 394.317 2.081 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c(OC)c1 ZINC000092188486 531926773 /nfs/dbraw/zinc/92/67/73/531926773.db2.gz IRWULHZRDAXAHO-GFCCVEGCSA-N 1 2 398.301 2.456 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c(OC)c1 ZINC000092188486 531926779 /nfs/dbraw/zinc/92/67/79/531926779.db2.gz IRWULHZRDAXAHO-GFCCVEGCSA-N 1 2 398.301 2.456 20 0 GEADLO O=S(=O)(C[C@@H]1CCOC1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000171774103 531916272 /nfs/dbraw/zinc/91/62/72/531916272.db2.gz KAVQDEJREKXJRV-CJNGLKHVSA-N 1 2 390.908 2.399 20 0 GEADLO O=S(=O)(C[C@@H]1CCOC1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000171774103 531916281 /nfs/dbraw/zinc/91/62/81/531916281.db2.gz KAVQDEJREKXJRV-CJNGLKHVSA-N 1 2 390.908 2.399 20 0 GEADLO O=S(=O)(CCN1CC[NH+](C2CCC2)CC1)c1ccc(Br)cc1 ZINC000172198771 531939601 /nfs/dbraw/zinc/93/96/01/531939601.db2.gz UAAPWTDGLYJWQM-UHFFFAOYSA-N 1 2 387.343 2.393 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)CS(C)(=O)=O)c1ccccc1Cl ZINC000172238086 531941896 /nfs/dbraw/zinc/94/18/96/531941896.db2.gz DGOSEZLTKGTSIO-CJNGLKHVSA-N 1 2 389.949 2.455 20 0 GEADLO CN(C1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1)S(C)(=O)=O ZINC000109197687 531942951 /nfs/dbraw/zinc/94/29/51/531942951.db2.gz HGQIWSASKAGTGH-UHFFFAOYSA-N 1 2 384.889 2.246 20 0 GEADLO C[C@@H](NC(=O)NCCc1ccc(Br)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000172335805 531947099 /nfs/dbraw/zinc/94/70/99/531947099.db2.gz VWZZHXKQJLHDHO-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Cn1cc(Br)ccc1=O)C2 ZINC000112667630 531949159 /nfs/dbraw/zinc/94/91/59/531949159.db2.gz QNAYESDVCFTKRF-UHFFFAOYSA-N 1 2 393.285 2.053 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000172427508 531953374 /nfs/dbraw/zinc/95/33/74/531953374.db2.gz KJISRHFHVFURAM-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO Cc1ccc(Br)c2c1NC(=O)[C@@]21NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000172852998 531968442 /nfs/dbraw/zinc/96/84/42/531968442.db2.gz JONWJKZCKUBMOX-QGZVFWFLSA-N 1 2 397.236 2.310 20 0 GEADLO NS(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000120148937 531974476 /nfs/dbraw/zinc/97/44/76/531974476.db2.gz RDDAFENLQCYUDK-UHFFFAOYSA-N 1 2 383.876 2.449 20 0 GEADLO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCc1[nH]cc[nH+]1 ZINC000172993011 531978308 /nfs/dbraw/zinc/97/83/08/531978308.db2.gz YHHLDYIQHALYNA-CQSZACIVSA-N 1 2 380.901 2.274 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCCc1nc(C(F)(F)F)cs1)[NH+]1CCOCC1 ZINC000173189826 531994142 /nfs/dbraw/zinc/99/41/42/531994142.db2.gz OUKOIRVWXJIKCS-WDEREUQCSA-N 1 2 380.436 2.113 20 0 GEADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1c[nH]c(=O)c(Br)c1 ZINC000173040823 531982063 /nfs/dbraw/zinc/98/20/63/531982063.db2.gz LGLJJCYWADNCOH-UHFFFAOYSA-N 1 2 387.237 2.312 20 0 GEADLO C[NH+]1CCN(C(=O)CSc2nnc(NCCc3cccs3)s2)CC1 ZINC000120585552 531984298 /nfs/dbraw/zinc/98/42/98/531984298.db2.gz SQBBSIUBEMJFKK-UHFFFAOYSA-N 1 2 383.568 2.120 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120799475 531996589 /nfs/dbraw/zinc/99/65/89/531996589.db2.gz NRGULUGEMQADLR-DOMZBBRYSA-N 1 2 385.917 2.132 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120799475 531996593 /nfs/dbraw/zinc/99/65/93/531996593.db2.gz NRGULUGEMQADLR-DOMZBBRYSA-N 1 2 385.917 2.132 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173544501 532017841 /nfs/dbraw/zinc/01/78/41/532017841.db2.gz ZQGGBJCMXAKJMX-LBPRGKRZSA-N 1 2 379.309 2.336 20 0 GEADLO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173538996 532018173 /nfs/dbraw/zinc/01/81/73/532018173.db2.gz ZQIIJYVLEDKCKS-LBPRGKRZSA-N 1 2 379.309 2.336 20 0 GEADLO COc1ccc(Br)cc1CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000173557465 532020160 /nfs/dbraw/zinc/02/01/60/532020160.db2.gz XPAKCRASRWIJDU-QWHCGFSZSA-N 1 2 385.302 2.226 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000121344804 532023151 /nfs/dbraw/zinc/02/31/51/532023151.db2.gz FWSAMESMMYLSRJ-ZDUSSCGKSA-N 1 2 381.263 2.439 20 0 GEADLO O=C(c1sccc1S(=O)(=O)C(F)F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121423031 532029220 /nfs/dbraw/zinc/02/92/20/532029220.db2.gz GOTSIAKHYRYZMB-LLVKDONJSA-N 1 2 388.417 2.433 20 0 GEADLO O=C(CSCC(F)(F)F)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000121579863 532035676 /nfs/dbraw/zinc/03/56/76/532035676.db2.gz XLAMLJNVHGJABZ-UHFFFAOYSA-N 1 2 379.423 2.359 20 0 GEADLO NC(=O)[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(Br)cc1F ZINC000173867260 532039128 /nfs/dbraw/zinc/03/91/28/532039128.db2.gz CHLLZDNTKJJNQE-OAHLLOKOSA-N 1 2 394.244 2.134 20 0 GEADLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000173878804 532039680 /nfs/dbraw/zinc/03/96/80/532039680.db2.gz AWJZUQNUVAYMLS-RISCZKNCSA-N 1 2 384.889 2.465 20 0 GEADLO NC(=O)c1cccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)c1 ZINC000173891559 532040463 /nfs/dbraw/zinc/04/04/63/532040463.db2.gz JRPZPKYRQKHEKN-AWEZNQCLSA-N 1 2 380.217 2.003 20 0 GEADLO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000173878804 532039688 /nfs/dbraw/zinc/03/96/88/532039688.db2.gz AWJZUQNUVAYMLS-RISCZKNCSA-N 1 2 384.889 2.465 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc(Br)nc2)CC1 ZINC000174095858 532049221 /nfs/dbraw/zinc/04/92/21/532049221.db2.gz CVWDDUQBWRCVNM-UHFFFAOYSA-N 1 2 379.258 2.407 20 0 GEADLO Cc1nc(CSc2ccc(C(=O)N3CC[NH+](CCO)CC3)cc2)cs1 ZINC000121852069 532050082 /nfs/dbraw/zinc/05/00/82/532050082.db2.gz KQVYDEJQGMPQPZ-UHFFFAOYSA-N 1 2 377.535 2.494 20 0 GEADLO C[C@H](CNC(=O)c1cc(Br)cc(Cl)c1O)N1CC[NH+](C)CC1 ZINC000174340286 532061241 /nfs/dbraw/zinc/06/12/41/532061241.db2.gz WZOSDLQDWLSSQD-SNVBAGLBSA-N 1 2 390.709 2.174 20 0 GEADLO C[N@H+](CC(=O)NCCc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174782846 532078848 /nfs/dbraw/zinc/07/88/48/532078848.db2.gz PBVZRWWOHBCLNW-IRXDYDNUSA-N 1 2 386.945 2.286 20 0 GEADLO C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174782846 532078852 /nfs/dbraw/zinc/07/88/52/532078852.db2.gz PBVZRWWOHBCLNW-IRXDYDNUSA-N 1 2 386.945 2.286 20 0 GEADLO CC(C)C[C@@H](CNS(=O)(=O)Cc1c(F)cccc1F)[NH+]1CCOCC1 ZINC000122715739 532081482 /nfs/dbraw/zinc/08/14/82/532081482.db2.gz GNUZRSOACKCHEF-AWEZNQCLSA-N 1 2 376.469 2.131 20 0 GEADLO O=C(NCCc1ccc(Br)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000175028667 532087734 /nfs/dbraw/zinc/08/77/34/532087734.db2.gz KFNKNYOMGZRMFW-KRWDZBQOSA-N 1 2 396.329 2.498 20 0 GEADLO O=C(COc1ccccc1Br)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000122983854 532089109 /nfs/dbraw/zinc/08/91/09/532089109.db2.gz UTIIJIXEPYSKIT-CQSZACIVSA-N 1 2 383.286 2.151 20 0 GEADLO CC(C)OCCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000175112054 532090460 /nfs/dbraw/zinc/09/04/60/532090460.db2.gz DYADIFNFOBYHBZ-CQSZACIVSA-N 1 2 376.469 2.274 20 0 GEADLO CC(C)OCCS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000175112054 532090465 /nfs/dbraw/zinc/09/04/65/532090465.db2.gz DYADIFNFOBYHBZ-CQSZACIVSA-N 1 2 376.469 2.274 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000175322586 532099446 /nfs/dbraw/zinc/09/94/46/532099446.db2.gz IZMISCCIMJBMCV-LLVKDONJSA-N 1 2 395.308 2.251 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000175231313 532093755 /nfs/dbraw/zinc/09/37/55/532093755.db2.gz JHUYYSYVHUZMGM-UHFFFAOYSA-N 1 2 389.315 2.174 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C)CC1 ZINC000123263082 532096177 /nfs/dbraw/zinc/09/61/77/532096177.db2.gz OTAOPMSSPIRFDP-CQSZACIVSA-N 1 2 380.432 2.091 20 0 GEADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000175397806 532101773 /nfs/dbraw/zinc/10/17/73/532101773.db2.gz MYCKOUCVRPTAOZ-IZHWHUGBSA-N 1 2 380.535 2.395 20 0 GEADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000175397806 532101778 /nfs/dbraw/zinc/10/17/78/532101778.db2.gz MYCKOUCVRPTAOZ-IZHWHUGBSA-N 1 2 380.535 2.395 20 0 GEADLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(Br)cn(C)c1=O ZINC000175548252 532107151 /nfs/dbraw/zinc/10/71/51/532107151.db2.gz FDTLZPPCSZPMJF-UHFFFAOYSA-N 1 2 375.226 2.445 20 0 GEADLO O=C(NCCn1cc[nH+]c1)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000175941400 532119941 /nfs/dbraw/zinc/11/99/41/532119941.db2.gz ROFRXZVKGXIWFY-UHFFFAOYSA-N 1 2 389.612 2.193 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000175954987 532120150 /nfs/dbraw/zinc/12/01/50/532120150.db2.gz ZAOBOMVMVKNSIB-UHFFFAOYSA-N 1 2 392.656 2.344 20 0 GEADLO Cc1cscc1C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000176173007 532128456 /nfs/dbraw/zinc/12/84/56/532128456.db2.gz CRZKIZRXILXPQX-UHFFFAOYSA-N 1 2 379.507 2.245 20 0 GEADLO Cn1nc(-c2ccccc2)c(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c1Cl ZINC000125151020 532133087 /nfs/dbraw/zinc/13/30/87/532133087.db2.gz ORFTUTWEEYLILD-UHFFFAOYSA-N 1 2 382.917 2.208 20 0 GEADLO Cn1nc(-c2ccccc2)c(C[N@H+]2CCCN(S(C)(=O)=O)CC2)c1Cl ZINC000125151020 532133090 /nfs/dbraw/zinc/13/30/90/532133090.db2.gz ORFTUTWEEYLILD-UHFFFAOYSA-N 1 2 382.917 2.208 20 0 GEADLO Cc1cc(NC(=O)C[S@@](=O)Cc2cn3cc(Br)ccc3[nH+]2)no1 ZINC000176555576 532140842 /nfs/dbraw/zinc/14/08/42/532140842.db2.gz XEGVALXEAXZYHS-QHCPKHFHSA-N 1 2 397.254 2.281 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CSc1cc(Cl)ccc1Cl ZINC000176554047 532140984 /nfs/dbraw/zinc/14/09/84/532140984.db2.gz YEDDECSCMZGBSQ-ZDUSSCGKSA-N 1 2 393.336 2.237 20 0 GEADLO C[C@H](NS(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000125791623 532143045 /nfs/dbraw/zinc/14/30/45/532143045.db2.gz WEFBZPOBKTWLGV-JOYOIKCWSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@H](NS(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000125791623 532143050 /nfs/dbraw/zinc/14/30/50/532143050.db2.gz WEFBZPOBKTWLGV-JOYOIKCWSA-N 1 2 397.722 2.100 20 0 GEADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000126196419 532146803 /nfs/dbraw/zinc/14/68/03/532146803.db2.gz YTFIYTMAKNNGBO-PUXAFBORSA-N 1 2 380.432 2.461 20 0 GEADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000126196419 532146807 /nfs/dbraw/zinc/14/68/07/532146807.db2.gz YTFIYTMAKNNGBO-PUXAFBORSA-N 1 2 380.432 2.461 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)C1 ZINC000128769376 532169010 /nfs/dbraw/zinc/16/90/10/532169010.db2.gz IGRDBBQJMHTXBC-LBPRGKRZSA-N 1 2 385.255 2.026 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)C1 ZINC000128769376 532169012 /nfs/dbraw/zinc/16/90/12/532169012.db2.gz IGRDBBQJMHTXBC-LBPRGKRZSA-N 1 2 385.255 2.026 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000176958161 532156825 /nfs/dbraw/zinc/15/68/25/532156825.db2.gz ILFKAMBQDUIJAT-UHFFFAOYSA-N 1 2 387.322 2.040 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000176958161 532156826 /nfs/dbraw/zinc/15/68/26/532156826.db2.gz ILFKAMBQDUIJAT-UHFFFAOYSA-N 1 2 387.322 2.040 20 0 GEADLO CCS(=O)(=O)CC[N@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000128242776 532162820 /nfs/dbraw/zinc/16/28/20/532162820.db2.gz AMQLLSCOYCLYFH-UHFFFAOYSA-N 1 2 377.304 2.144 20 0 GEADLO CCS(=O)(=O)CC[N@@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000128242776 532162824 /nfs/dbraw/zinc/16/28/24/532162824.db2.gz AMQLLSCOYCLYFH-UHFFFAOYSA-N 1 2 377.304 2.144 20 0 GEADLO COc1cc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)ccc1Br ZINC000129874695 532185697 /nfs/dbraw/zinc/18/56/97/532185697.db2.gz MBRGNIRPZNZORJ-UHFFFAOYSA-N 1 2 395.257 2.141 20 0 GEADLO COc1cc(OC)cc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000178408067 532200469 /nfs/dbraw/zinc/20/04/69/532200469.db2.gz LMKVUNCYJUFGBF-UHFFFAOYSA-N 1 2 382.507 2.102 20 0 GEADLO COc1cc(OC)cc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000178408067 532200471 /nfs/dbraw/zinc/20/04/71/532200471.db2.gz LMKVUNCYJUFGBF-UHFFFAOYSA-N 1 2 382.507 2.102 20 0 GEADLO CC(C)(C)S(=O)(=O)CC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000131953980 532206571 /nfs/dbraw/zinc/20/65/71/532206571.db2.gz IMEFGSRNTRHMMN-UHFFFAOYSA-N 1 2 376.588 2.068 20 0 GEADLO Cc1cccc(C[NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1C ZINC000131990832 532207637 /nfs/dbraw/zinc/20/76/37/532207637.db2.gz HCXSGSSTWGZAIB-UHFFFAOYSA-N 1 2 379.448 2.254 20 0 GEADLO C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178649388 532207877 /nfs/dbraw/zinc/20/78/77/532207877.db2.gz IYYRZIYQPSGWKR-JSGCOSHPSA-N 1 2 384.343 2.046 20 0 GEADLO O=C(CCc1cc(Cl)ccc1Br)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178629880 532208520 /nfs/dbraw/zinc/20/85/20/532208520.db2.gz KSABNFCPQCGQNO-AWEZNQCLSA-N 1 2 386.721 2.151 20 0 GEADLO C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O)[NH+]1CCSCC1 ZINC000132031665 532209016 /nfs/dbraw/zinc/20/90/16/532209016.db2.gz MROXDNAYMUHNGB-BBRMVZONSA-N 1 2 381.929 2.341 20 0 GEADLO CN(C(=O)[C@@H]1CCCn2cc[nH+]c21)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000178757005 532211916 /nfs/dbraw/zinc/21/19/16/532211916.db2.gz HEQYHCRAIQSOOS-OCCSQVGLSA-N 1 2 379.869 2.401 20 0 GEADLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CCS1 ZINC000132402174 532214968 /nfs/dbraw/zinc/21/49/68/532214968.db2.gz IOFWXSOLKAZHKI-OAHLLOKOSA-N 1 2 380.905 2.328 20 0 GEADLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CCS1 ZINC000132402174 532214972 /nfs/dbraw/zinc/21/49/72/532214972.db2.gz IOFWXSOLKAZHKI-OAHLLOKOSA-N 1 2 380.905 2.328 20 0 GEADLO O=C(c1cc(Cl)cc(C(F)(F)F)c1)N(CCO)CC[NH+]1CCOCC1 ZINC000132493370 532216659 /nfs/dbraw/zinc/21/66/59/532216659.db2.gz VKHQAGLYMJGCTK-UHFFFAOYSA-N 1 2 380.794 2.126 20 0 GEADLO Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(Br)n1 ZINC000133278805 532230365 /nfs/dbraw/zinc/23/03/65/532230365.db2.gz YNEDSVFWDWRHIR-AWEZNQCLSA-N 1 2 382.302 2.479 20 0 GEADLO Brc1cc(C[NH+]2CCN(c3ncccn3)CC2)cc2c1OCCO2 ZINC000179523970 532234962 /nfs/dbraw/zinc/23/49/62/532234962.db2.gz SKOPZJWAGSRZAB-UHFFFAOYSA-N 1 2 391.269 2.333 20 0 GEADLO COCCS(=O)(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000132680397 532220055 /nfs/dbraw/zinc/22/00/55/532220055.db2.gz MVXVQWXETTXKBL-UHFFFAOYSA-N 1 2 381.325 2.130 20 0 GEADLO C[C@H]1CCN(C(=O)C(=O)Nc2cccnc2Br)C[C@H]1n1cc[nH+]c1 ZINC000179881659 532248053 /nfs/dbraw/zinc/24/80/53/532248053.db2.gz NGTGYYYLQXHYIK-WCQYABFASA-N 1 2 392.257 2.089 20 0 GEADLO CCCCS(=O)(=O)NCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000134114144 532250013 /nfs/dbraw/zinc/25/00/13/532250013.db2.gz MMESUNSKQTYRQD-ZDUSSCGKSA-N 1 2 388.559 2.033 20 0 GEADLO CCCCS(=O)(=O)NCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000134114144 532250015 /nfs/dbraw/zinc/25/00/15/532250015.db2.gz MMESUNSKQTYRQD-ZDUSSCGKSA-N 1 2 388.559 2.033 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2c(F)cccc2Br)CC1 ZINC000180408456 532270165 /nfs/dbraw/zinc/27/01/65/532270165.db2.gz PKGYFOPGLNZZLI-GFCCVEGCSA-N 1 2 384.293 2.373 20 0 GEADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000135371273 532271129 /nfs/dbraw/zinc/27/11/29/532271129.db2.gz RLQLJRHFCVXGTE-HNNXBMFYSA-N 1 2 375.252 2.178 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cccc(Br)n1 ZINC000180440369 532271660 /nfs/dbraw/zinc/27/16/60/532271660.db2.gz GYGPMUZYTNHVHW-UHFFFAOYSA-N 1 2 377.242 2.006 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000134364856 532255423 /nfs/dbraw/zinc/25/54/23/532255423.db2.gz CQXRUCXZELZKDX-CQSZACIVSA-N 1 2 384.889 2.292 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000134364856 532255425 /nfs/dbraw/zinc/25/54/25/532255425.db2.gz CQXRUCXZELZKDX-CQSZACIVSA-N 1 2 384.889 2.292 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)NC(=O)NC1CC1 ZINC000134454745 532255984 /nfs/dbraw/zinc/25/59/84/532255984.db2.gz NTEGCXOFDIKINW-SECBINFHSA-N 1 2 376.404 2.330 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)NC(=O)NC1CC1 ZINC000134454745 532255989 /nfs/dbraw/zinc/25/59/89/532255989.db2.gz NTEGCXOFDIKINW-SECBINFHSA-N 1 2 376.404 2.330 20 0 GEADLO O=C(N[C@H]1CCCCNC1=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000134518372 532257383 /nfs/dbraw/zinc/25/73/83/532257383.db2.gz CIHWLTSVJANWDF-HOTGVXAUSA-N 1 2 394.313 2.371 20 0 GEADLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(F)cc1Br ZINC000134547056 532258411 /nfs/dbraw/zinc/25/84/11/532258411.db2.gz CIQRTDDBUMHGPV-UHFFFAOYSA-N 1 2 376.251 2.496 20 0 GEADLO Cc1cccc(S(=O)(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1Cl ZINC000180169063 532259869 /nfs/dbraw/zinc/25/98/69/532259869.db2.gz OVRWTGWOYGCVIQ-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO Cc1ccc(S(=O)(=O)CCC[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000180806732 532281385 /nfs/dbraw/zinc/28/13/85/532281385.db2.gz OWBCULJVYKBIHO-ROUUACIJSA-N 1 2 387.567 2.446 20 0 GEADLO Cc1ccc(S(=O)(=O)CCC[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000180806732 532281389 /nfs/dbraw/zinc/28/13/89/532281389.db2.gz OWBCULJVYKBIHO-ROUUACIJSA-N 1 2 387.567 2.446 20 0 GEADLO CCCC[N@H+](CCCS(=O)(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000180794198 532281801 /nfs/dbraw/zinc/28/18/01/532281801.db2.gz UMKHELRFGIKUGY-KRWDZBQOSA-N 1 2 387.567 2.448 20 0 GEADLO CCCC[N@@H+](CCCS(=O)(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000180794198 532281803 /nfs/dbraw/zinc/28/18/03/532281803.db2.gz UMKHELRFGIKUGY-KRWDZBQOSA-N 1 2 387.567 2.448 20 0 GEADLO O=C(C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)N1CCOCC1 ZINC000181034256 532288781 /nfs/dbraw/zinc/28/87/81/532288781.db2.gz MSCSTWNEXIQBKM-UHFFFAOYSA-N 1 2 381.885 2.324 20 0 GEADLO C[C@H](CNC(=O)c1ccc(Br)cc1-n1cncn1)Cn1cc[nH+]c1 ZINC000135446965 532273672 /nfs/dbraw/zinc/27/36/72/532273672.db2.gz HKAURLDHKGNMJG-GFCCVEGCSA-N 1 2 389.257 2.292 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ncc(Br)s3)C2=O)n(C)n1 ZINC000181190314 532293074 /nfs/dbraw/zinc/29/30/74/532293074.db2.gz POGPSXMDQAXRKN-VHSXEESVSA-N 1 2 384.303 2.404 20 0 GEADLO C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000139188288 532293072 /nfs/dbraw/zinc/29/30/72/532293072.db2.gz FWIZGGLQJRMYTA-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181261623 532294189 /nfs/dbraw/zinc/29/41/89/532294189.db2.gz NWQFQGPGOCBEPN-GWCFXTLKSA-N 1 2 375.416 2.498 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181261623 532294193 /nfs/dbraw/zinc/29/41/93/532294193.db2.gz NWQFQGPGOCBEPN-GWCFXTLKSA-N 1 2 375.416 2.498 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000143424633 532296309 /nfs/dbraw/zinc/29/63/09/532296309.db2.gz PPACFAKSXLYUTP-ZDUSSCGKSA-N 1 2 387.933 2.331 20 0 GEADLO O=C(CN1CC[NH+](CCCc2ccccc2Br)CC1)NC1CC1 ZINC000181510034 532300064 /nfs/dbraw/zinc/30/00/64/532300064.db2.gz PLMKDIAOMOHUNS-UHFFFAOYSA-N 1 2 380.330 2.278 20 0 GEADLO O=C(C[NH+]1CCN(CCCc2ccccc2Br)CC1)NC1CC1 ZINC000181510034 532300066 /nfs/dbraw/zinc/30/00/66/532300066.db2.gz PLMKDIAOMOHUNS-UHFFFAOYSA-N 1 2 380.330 2.278 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000181520562 532300455 /nfs/dbraw/zinc/30/04/55/532300455.db2.gz BNHVMBXJQOBLDG-NSHDSACASA-N 1 2 395.308 2.251 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000181520562 532300458 /nfs/dbraw/zinc/30/04/58/532300458.db2.gz BNHVMBXJQOBLDG-NSHDSACASA-N 1 2 395.308 2.251 20 0 GEADLO C[C@@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000150196262 532300852 /nfs/dbraw/zinc/30/08/52/532300852.db2.gz YQORPUZLYWJMIT-GARJFASQSA-N 1 2 385.306 2.277 20 0 GEADLO C[C@@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000150196262 532300855 /nfs/dbraw/zinc/30/08/55/532300855.db2.gz YQORPUZLYWJMIT-GARJFASQSA-N 1 2 385.306 2.277 20 0 GEADLO COCCc1noc(C[N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)n1 ZINC000150999798 532305630 /nfs/dbraw/zinc/30/56/30/532305630.db2.gz GFBSCOKYDPWOGI-LBPRGKRZSA-N 1 2 390.267 2.437 20 0 GEADLO COCCc1noc(C[N@@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)n1 ZINC000150999798 532305635 /nfs/dbraw/zinc/30/56/35/532305635.db2.gz GFBSCOKYDPWOGI-LBPRGKRZSA-N 1 2 390.267 2.437 20 0 GEADLO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000151062906 532306152 /nfs/dbraw/zinc/30/61/52/532306152.db2.gz KEZLRKOGURKEBS-CYBMUJFWSA-N 1 2 386.279 2.078 20 0 GEADLO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000151062906 532306155 /nfs/dbraw/zinc/30/61/55/532306155.db2.gz KEZLRKOGURKEBS-CYBMUJFWSA-N 1 2 386.279 2.078 20 0 GEADLO CCc1nnc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)[nH]1 ZINC000181751132 532306170 /nfs/dbraw/zinc/30/61/70/532306170.db2.gz QUDAOBWDORADQR-NSHDSACASA-N 1 2 393.289 2.375 20 0 GEADLO CCc1nnc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)[nH]1 ZINC000181751132 532306174 /nfs/dbraw/zinc/30/61/74/532306174.db2.gz QUDAOBWDORADQR-NSHDSACASA-N 1 2 393.289 2.375 20 0 GEADLO C[C@@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1c(F)cccc1Cl ZINC000181751711 532306225 /nfs/dbraw/zinc/30/62/25/532306225.db2.gz IRFWEZYVGSHQIG-SNVBAGLBSA-N 1 2 385.848 2.416 20 0 GEADLO C[N@H+](C[C@@H](O)COc1ccccc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181065976 532290224 /nfs/dbraw/zinc/29/02/24/532290224.db2.gz TZNMILLXRNOPFO-WBVHZDCISA-N 1 2 393.281 2.347 20 0 GEADLO C[N@@H+](C[C@@H](O)COc1ccccc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181065976 532290227 /nfs/dbraw/zinc/29/02/27/532290227.db2.gz TZNMILLXRNOPFO-WBVHZDCISA-N 1 2 393.281 2.347 20 0 GEADLO CC(=O)N1CC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C(C)(C)C1 ZINC000182214130 532310795 /nfs/dbraw/zinc/31/07/95/532310795.db2.gz PMYDCWQIFHXBFP-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO CC(=O)N1CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C(C)(C)C1 ZINC000182214130 532310798 /nfs/dbraw/zinc/31/07/98/532310798.db2.gz PMYDCWQIFHXBFP-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO C[C@@H](CN(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1nccs1 ZINC000182312895 532311861 /nfs/dbraw/zinc/31/18/61/532311861.db2.gz SSVSIVDABQNSLK-WMLDXEAASA-N 1 2 384.571 2.096 20 0 GEADLO C[C@H]([NH2+]Cc1nc(CS(C)(=O)=O)no1)c1ccc(OC(F)(F)F)cc1 ZINC000182518909 532314450 /nfs/dbraw/zinc/31/44/50/532314450.db2.gz XEBGEEJPTJYXCG-VIFPVBQESA-N 1 2 379.360 2.364 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182590543 532315269 /nfs/dbraw/zinc/31/52/69/532315269.db2.gz CTNAYHRTPMWJGZ-OAHLLOKOSA-N 1 2 380.432 2.408 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182590543 532315272 /nfs/dbraw/zinc/31/52/72/532315272.db2.gz CTNAYHRTPMWJGZ-OAHLLOKOSA-N 1 2 380.432 2.408 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1 ZINC000185160645 532337124 /nfs/dbraw/zinc/33/71/24/532337124.db2.gz QNOPRRXGNOIGNK-CXAGYDPISA-N 1 2 383.286 2.118 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1 ZINC000185160645 532337125 /nfs/dbraw/zinc/33/71/25/532337125.db2.gz QNOPRRXGNOIGNK-CXAGYDPISA-N 1 2 383.286 2.118 20 0 GEADLO COCCCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000185570329 532338075 /nfs/dbraw/zinc/33/80/75/532338075.db2.gz XTRGLPPXZIQGFQ-DLBZAZTESA-N 1 2 390.933 2.058 20 0 GEADLO COCCCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000185570329 532338076 /nfs/dbraw/zinc/33/80/76/532338076.db2.gz XTRGLPPXZIQGFQ-DLBZAZTESA-N 1 2 390.933 2.058 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CS(=O)(=O)c2ccccc21)c1cccs1 ZINC000185620681 532338224 /nfs/dbraw/zinc/33/82/24/532338224.db2.gz DMQREDZRLIQCDJ-KBPBESRZSA-N 1 2 379.507 2.179 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000185706947 532338526 /nfs/dbraw/zinc/33/85/26/532338526.db2.gz MRQYKJALHVWFRW-UHFFFAOYSA-N 1 2 389.315 2.174 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000186047869 532339656 /nfs/dbraw/zinc/33/96/56/532339656.db2.gz AQHPIWHZJZOQPC-GFCCVEGCSA-N 1 2 380.794 2.124 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC000186807883 532342026 /nfs/dbraw/zinc/34/20/26/532342026.db2.gz TWCXHXXHONBAPF-CHWSQXEVSA-N 1 2 387.343 2.455 20 0 GEADLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2cccc(Br)c2OC)CC1 ZINC000186880305 532342286 /nfs/dbraw/zinc/34/22/86/532342286.db2.gz GFHUGQDQNJPMGN-CQSZACIVSA-N 1 2 398.345 2.490 20 0 GEADLO CC(C)c1cnc(C[NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)s1 ZINC000183759102 532328863 /nfs/dbraw/zinc/32/88/63/532328863.db2.gz RKFZJSTWWUJXMF-UHFFFAOYSA-N 1 2 383.539 2.169 20 0 GEADLO O=c1cc(C[NH2+][C@@H](CO)c2cccc(Br)c2)nc2sccn21 ZINC000183896963 532329903 /nfs/dbraw/zinc/32/99/03/532329903.db2.gz LGYVDUGQSAYISE-ZDUSSCGKSA-N 1 2 380.267 2.342 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000184394639 532332585 /nfs/dbraw/zinc/33/25/85/532332585.db2.gz NXTKNFBRVALWJA-GFCCVEGCSA-N 1 2 395.301 2.450 20 0 GEADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000185033762 532336573 /nfs/dbraw/zinc/33/65/73/532336573.db2.gz PJTCMURHTDXZNT-UKRRQHHQSA-N 1 2 385.555 2.060 20 0 GEADLO Cc1ccc(Br)nc1C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000187837596 532345706 /nfs/dbraw/zinc/34/57/06/532345706.db2.gz MATVCGRIEYNVLC-LLVKDONJSA-N 1 2 383.315 2.402 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000188177370 532347216 /nfs/dbraw/zinc/34/72/16/532347216.db2.gz RYGIYDTVWKJLJT-CYBMUJFWSA-N 1 2 398.301 2.098 20 0 GEADLO O=S(=O)(c1cccc2c1N=S=N2)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000188602525 532348800 /nfs/dbraw/zinc/34/88/00/532348800.db2.gz RRCNFPVHHHKOGU-CYBMUJFWSA-N 1 2 382.511 2.288 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NCCc1ccc(I)s1 ZINC000188865287 532349869 /nfs/dbraw/zinc/34/98/69/532349869.db2.gz BESCNACVDFRYIO-UHFFFAOYSA-N 1 2 389.262 2.378 20 0 GEADLO Cc1cc(N2CCN(Cc3c[nH+]c4ccc(Br)cn34)CC2)n[nH]1 ZINC000189017793 532350565 /nfs/dbraw/zinc/35/05/65/532350565.db2.gz NSGWGFXEFMEMEU-UHFFFAOYSA-N 1 2 375.274 2.451 20 0 GEADLO O=C(NCCc1nc(C(F)(F)F)cs1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000189160071 532351150 /nfs/dbraw/zinc/35/11/50/532351150.db2.gz OQNBTTKIEMRAOP-GFCCVEGCSA-N 1 2 377.432 2.464 20 0 GEADLO O=C(NCCc1nc(C(F)(F)F)cs1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000189160071 532351151 /nfs/dbraw/zinc/35/11/51/532351151.db2.gz OQNBTTKIEMRAOP-GFCCVEGCSA-N 1 2 377.432 2.464 20 0 GEADLO C[N@H+](Cc1noc(Cc2ccc(Br)cc2)n1)CC1(O)CCOCC1 ZINC000189793498 532353703 /nfs/dbraw/zinc/35/37/03/532353703.db2.gz JARTZBWARNQMOZ-UHFFFAOYSA-N 1 2 396.285 2.396 20 0 GEADLO C[N@@H+](Cc1noc(Cc2ccc(Br)cc2)n1)CC1(O)CCOCC1 ZINC000189793498 532353704 /nfs/dbraw/zinc/35/37/04/532353704.db2.gz JARTZBWARNQMOZ-UHFFFAOYSA-N 1 2 396.285 2.396 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H](CO)O1 ZINC000190106521 532354965 /nfs/dbraw/zinc/35/49/65/532354965.db2.gz VINZNCFHBHSORV-BLLLJJGKSA-N 1 2 378.270 2.488 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H](CO)O1 ZINC000190106521 532354966 /nfs/dbraw/zinc/35/49/66/532354966.db2.gz VINZNCFHBHSORV-BLLLJJGKSA-N 1 2 378.270 2.488 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000190264086 532355452 /nfs/dbraw/zinc/35/54/52/532355452.db2.gz FHTJIWOKBMSRMB-DGCLKSJQSA-N 1 2 383.495 2.311 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190719580 532357582 /nfs/dbraw/zinc/35/75/82/532357582.db2.gz WREMYEOZVDXSJM-UHFFFAOYSA-N 1 2 387.184 2.069 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC000190731374 532357613 /nfs/dbraw/zinc/35/76/13/532357613.db2.gz LIGZCDBNXVVWLZ-DZGCQCFKSA-N 1 2 388.917 2.222 20 0 GEADLO CN(C[C@@H](O)C(F)(F)F)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190879138 532358583 /nfs/dbraw/zinc/35/85/83/532358583.db2.gz UWLRTIRFVWLOGX-CQSZACIVSA-N 1 2 379.810 2.263 20 0 GEADLO CN(C[C@@H](O)C(F)(F)F)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190879138 532358584 /nfs/dbraw/zinc/35/85/84/532358584.db2.gz UWLRTIRFVWLOGX-CQSZACIVSA-N 1 2 379.810 2.263 20 0 GEADLO CCCCNC(=O)[C@H](C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191315721 532360368 /nfs/dbraw/zinc/36/03/68/532360368.db2.gz PSTPOKIRWWAWAM-NSHDSACASA-N 1 2 379.452 2.374 20 0 GEADLO CCCCNC(=O)[C@H](C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191315721 532360369 /nfs/dbraw/zinc/36/03/69/532360369.db2.gz PSTPOKIRWWAWAM-NSHDSACASA-N 1 2 379.452 2.374 20 0 GEADLO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ncc(Br)cc1F ZINC000187346343 532344110 /nfs/dbraw/zinc/34/41/10/532344110.db2.gz VCZRVQQGAZOCNT-ZANVPECISA-N 1 2 382.237 2.173 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc3nc(C)sc3c2)CC1 ZINC000425197936 532372265 /nfs/dbraw/zinc/37/22/65/532372265.db2.gz CKOCVZLHCMCICR-UHFFFAOYSA-N 1 2 383.539 2.336 20 0 GEADLO CN(C)c1noc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)n1 ZINC000191900605 532373168 /nfs/dbraw/zinc/37/31/68/532373168.db2.gz KMIKUZGNRPZKIA-UHFFFAOYSA-N 1 2 377.246 2.374 20 0 GEADLO CC(C)(C)n1nnnc1C[S@](=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000463461869 532374505 /nfs/dbraw/zinc/37/45/05/532374505.db2.gz LTHFHACFKGEGAL-HSZRJFAPSA-N 1 2 397.302 2.287 20 0 GEADLO O=S1(=O)CCN(C2CC[NH+](Cc3ccc(CSC(F)F)o3)CC2)CC1 ZINC000191940301 532375266 /nfs/dbraw/zinc/37/52/66/532375266.db2.gz WAFZBHAMFLELRI-UHFFFAOYSA-N 1 2 394.509 2.430 20 0 GEADLO Cn1nc2c(cc1=O)C[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)CC2 ZINC000462950544 532362815 /nfs/dbraw/zinc/36/28/15/532362815.db2.gz DKPSMVMGLQKVBN-DEOSSOPVSA-N 1 2 386.304 2.253 20 0 GEADLO Cn1nc2c(cc1=O)C[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)CC2 ZINC000462950544 532362822 /nfs/dbraw/zinc/36/28/22/532362822.db2.gz DKPSMVMGLQKVBN-DEOSSOPVSA-N 1 2 386.304 2.253 20 0 GEADLO O=C(N[C@H]1CN(c2ccc(Br)cc2)C1=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000647015851 532363826 /nfs/dbraw/zinc/36/38/26/532363826.db2.gz VZELNRLXLCPYKK-OCCSQVGLSA-N 1 2 389.253 2.124 20 0 GEADLO O=C(N[C@H]1CN(c2ccc(Br)cc2)C1=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000647015851 532363828 /nfs/dbraw/zinc/36/38/28/532363828.db2.gz VZELNRLXLCPYKK-OCCSQVGLSA-N 1 2 389.253 2.124 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1 ZINC000515430709 532364974 /nfs/dbraw/zinc/36/49/74/532364974.db2.gz RYHFERYYHLSSLW-SNVBAGLBSA-N 1 2 379.507 2.224 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1 ZINC000515430709 532364981 /nfs/dbraw/zinc/36/49/81/532364981.db2.gz RYHFERYYHLSSLW-SNVBAGLBSA-N 1 2 379.507 2.224 20 0 GEADLO C[C@H](CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)S(C)(=O)=O ZINC000677162822 532366386 /nfs/dbraw/zinc/36/63/86/532366386.db2.gz IOMCLWJQJTWRCL-CJNGLKHVSA-N 1 2 387.933 2.209 20 0 GEADLO CC[N@@H+]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C ZINC000677191600 532367689 /nfs/dbraw/zinc/36/76/89/532367689.db2.gz DGXMLIPWDXAGLD-CYBMUJFWSA-N 1 2 375.332 2.249 20 0 GEADLO CC[N@H+]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C ZINC000677191600 532367694 /nfs/dbraw/zinc/36/76/94/532367694.db2.gz DGXMLIPWDXAGLD-CYBMUJFWSA-N 1 2 375.332 2.249 20 0 GEADLO O=S(=O)(CCCCF)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000515527957 532368450 /nfs/dbraw/zinc/36/84/50/532368450.db2.gz FZDRGJVQTLZNGB-UHFFFAOYSA-N 1 2 378.897 2.416 20 0 GEADLO COc1ncc(S(=O)(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1Cl ZINC000647131871 532368802 /nfs/dbraw/zinc/36/88/02/532368802.db2.gz NTWMDXLYOOJWBB-UHFFFAOYSA-N 1 2 385.877 2.008 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2F)C1 ZINC000590384394 532369625 /nfs/dbraw/zinc/36/96/25/532369625.db2.gz NQMUQUCPGWOCPM-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1Cl ZINC000677239810 532369616 /nfs/dbraw/zinc/36/96/16/532369616.db2.gz YWWPSVMHGWXWLW-VIFPVBQESA-N 1 2 393.843 2.092 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(F)c1Cl ZINC000677239810 532369620 /nfs/dbraw/zinc/36/96/20/532369620.db2.gz YWWPSVMHGWXWLW-VIFPVBQESA-N 1 2 393.843 2.092 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2F)C1 ZINC000590384394 532369633 /nfs/dbraw/zinc/36/96/33/532369633.db2.gz NQMUQUCPGWOCPM-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000621887501 532370788 /nfs/dbraw/zinc/37/07/88/532370788.db2.gz DJZPZPPRPSIDLM-LBPRGKRZSA-N 1 2 397.269 2.115 20 0 GEADLO Cc1nc(C)c(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)s1 ZINC000372231195 532378807 /nfs/dbraw/zinc/37/88/07/532378807.db2.gz KVORLNOSIHTVBY-UHFFFAOYSA-N 1 2 382.511 2.429 20 0 GEADLO Cc1cnc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(I)c1 ZINC000425255151 532379988 /nfs/dbraw/zinc/37/99/88/532379988.db2.gz MUZGJLZHZCSUDZ-GFCCVEGCSA-N 1 2 389.281 2.276 20 0 GEADLO Cc1cnc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c(I)c1 ZINC000425255151 532379992 /nfs/dbraw/zinc/37/99/92/532379992.db2.gz MUZGJLZHZCSUDZ-GFCCVEGCSA-N 1 2 389.281 2.276 20 0 GEADLO Cc1sc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1CS(C)(=O)=O ZINC000558025147 532380200 /nfs/dbraw/zinc/38/02/00/532380200.db2.gz NYDCOCFYYYVBOK-XJKCOSOUSA-N 1 2 384.567 2.403 20 0 GEADLO Cc1sc(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1CS(C)(=O)=O ZINC000558025147 532380207 /nfs/dbraw/zinc/38/02/07/532380207.db2.gz NYDCOCFYYYVBOK-XJKCOSOUSA-N 1 2 384.567 2.403 20 0 GEADLO CC[S@@](=O)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000294768798 532381499 /nfs/dbraw/zinc/38/14/99/532381499.db2.gz ABLBSLCLHRCNIQ-JOCHJYFZSA-N 1 2 387.343 2.298 20 0 GEADLO CC(C)(C)c1nc(CN2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)cs1 ZINC000677677209 532381546 /nfs/dbraw/zinc/38/15/46/532381546.db2.gz YZZRNDSGVUJJEE-OAHLLOKOSA-N 1 2 385.599 2.383 20 0 GEADLO O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCC1)c1c[nH]nc1C(F)(F)F ZINC000647891377 532382146 /nfs/dbraw/zinc/38/21/46/532382146.db2.gz YJFBSGQAECUCBM-SNVBAGLBSA-N 1 2 378.376 2.137 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)c1n[nH]c2ccc(I)cc21 ZINC000463804139 532382971 /nfs/dbraw/zinc/38/29/71/532382971.db2.gz ZFRVHRLPDKNVJY-UHFFFAOYSA-N 1 2 381.177 2.163 20 0 GEADLO CC(C)C(=O)NCC[N@H+](C)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192075608 532384046 /nfs/dbraw/zinc/38/40/46/532384046.db2.gz VUFRMGGISDFSEF-OAHLLOKOSA-N 1 2 382.302 2.258 20 0 GEADLO CC(C)C(=O)NCC[N@@H+](C)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192075608 532384051 /nfs/dbraw/zinc/38/40/51/532384051.db2.gz VUFRMGGISDFSEF-OAHLLOKOSA-N 1 2 382.302 2.258 20 0 GEADLO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372323783 532384943 /nfs/dbraw/zinc/38/49/43/532384943.db2.gz DXHXGSLFKLWMQM-NEPJUHHUSA-N 1 2 384.263 2.308 20 0 GEADLO CC(C)OCCOC[C@@H](O)C[N@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC000558098052 532385948 /nfs/dbraw/zinc/38/59/48/532385948.db2.gz MHYHUKBLVBMGJC-JSGCOSHPSA-N 1 2 376.295 2.034 20 0 GEADLO CC(C)OCCOC[C@@H](O)C[N@@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC000558098052 532385953 /nfs/dbraw/zinc/38/59/53/532385953.db2.gz MHYHUKBLVBMGJC-JSGCOSHPSA-N 1 2 376.295 2.034 20 0 GEADLO CN(C)c1cc(NC(=O)[C@@H]2CCc3ncncc3C2)[nH+]cc1Br ZINC000648411775 532395669 /nfs/dbraw/zinc/39/56/69/532395669.db2.gz PZEQJNGXTBGDDQ-SNVBAGLBSA-N 1 2 376.258 2.444 20 0 GEADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nc(C)cs2)c1 ZINC000623912714 532390979 /nfs/dbraw/zinc/39/09/79/532390979.db2.gz RGXXQVXRLOHHCD-RYUDHWBXSA-N 1 2 382.511 2.037 20 0 GEADLO CCc1cnc(N2CC[NH+](Cc3cccc(NS(C)(=O)=O)c3)CC2)s1 ZINC000678263421 532391403 /nfs/dbraw/zinc/39/14/03/532391403.db2.gz HNUIQBOVSDQQAF-UHFFFAOYSA-N 1 2 380.539 2.399 20 0 GEADLO COCC[C@H](C)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000464200101 532392437 /nfs/dbraw/zinc/39/24/37/532392437.db2.gz QIFPVKTVSIQONS-IAOVAPTHSA-N 1 2 390.933 2.056 20 0 GEADLO COCC[C@H](C)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000464200101 532392444 /nfs/dbraw/zinc/39/24/44/532392444.db2.gz QIFPVKTVSIQONS-IAOVAPTHSA-N 1 2 390.933 2.056 20 0 GEADLO Cc1csc([C@H](C)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)n1 ZINC000623955320 532392589 /nfs/dbraw/zinc/39/25/89/532392589.db2.gz WCRFESAEDJMYLP-ZDUSSCGKSA-N 1 2 381.527 2.101 20 0 GEADLO COC(=O)[C@@H]([NH+]1CCN(c2ccc(Br)cn2)CC1)C1(OC)CCC1 ZINC000590950756 532392859 /nfs/dbraw/zinc/39/28/59/532392859.db2.gz IVGVNTMOAAGBCV-OAHLLOKOSA-N 1 2 398.301 2.077 20 0 GEADLO COC(=O)[C@H]([NH+]1CCN(c2ccc(Br)cn2)CC1)C1(OC)CCC1 ZINC000590950755 532392941 /nfs/dbraw/zinc/39/29/41/532392941.db2.gz IVGVNTMOAAGBCV-HNNXBMFYSA-N 1 2 398.301 2.077 20 0 GEADLO C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCS1(=O)=O ZINC000192267292 532397762 /nfs/dbraw/zinc/39/77/62/532397762.db2.gz GHPOTYKOCKAFDH-LSDHHAIUSA-N 1 2 385.555 2.104 20 0 GEADLO C[C@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)c1cc(F)c(Br)cc1F ZINC000624548258 532398222 /nfs/dbraw/zinc/39/82/22/532398222.db2.gz JIBPHBYDONPOAK-UWVGGRQHSA-N 1 2 392.244 2.418 20 0 GEADLO C[C@H](NC(=O)NC[C@H]1COCC[N@H+]1C)c1cc(F)c(Br)cc1F ZINC000624548258 532398230 /nfs/dbraw/zinc/39/82/30/532398230.db2.gz JIBPHBYDONPOAK-UWVGGRQHSA-N 1 2 392.244 2.418 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](N2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000516936123 532397315 /nfs/dbraw/zinc/39/73/15/532397315.db2.gz TZIPEOKRVDMSSX-MRXNPFEDSA-N 1 2 382.302 2.184 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](N2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000516936123 532397322 /nfs/dbraw/zinc/39/73/22/532397322.db2.gz TZIPEOKRVDMSSX-MRXNPFEDSA-N 1 2 382.302 2.184 20 0 GEADLO O=C(CN1CCC[C@@H]([NH+]2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000516936123 532397326 /nfs/dbraw/zinc/39/73/26/532397326.db2.gz TZIPEOKRVDMSSX-MRXNPFEDSA-N 1 2 382.302 2.184 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)C2 ZINC000372625213 532399061 /nfs/dbraw/zinc/39/90/61/532399061.db2.gz LHWVZZQFKBFAQM-NSHDSACASA-N 1 2 375.372 2.383 20 0 GEADLO CC1(C)C[NH+]=C(N2CCN(CCS(=O)(=O)Cc3ccccc3)CC2)S1 ZINC000279745000 532401426 /nfs/dbraw/zinc/40/14/26/532401426.db2.gz PONACGWKXSJNBQ-UHFFFAOYSA-N 1 2 381.567 2.100 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)CCO1 ZINC000426040369 532401679 /nfs/dbraw/zinc/40/16/79/532401679.db2.gz UZELSHCSCRIBDE-CYBMUJFWSA-N 1 2 391.299 2.177 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCOc2ncc(Cl)cc2Cl)CCO1 ZINC000426040369 532401685 /nfs/dbraw/zinc/40/16/85/532401685.db2.gz UZELSHCSCRIBDE-CYBMUJFWSA-N 1 2 391.299 2.177 20 0 GEADLO Cn1cc(C(=O)NCC2CC[NH+](Cc3cnc(Br)s3)CC2)cn1 ZINC000295086251 532402510 /nfs/dbraw/zinc/40/25/10/532402510.db2.gz RRJSSNPYLLSCBZ-UHFFFAOYSA-N 1 2 398.330 2.281 20 0 GEADLO CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1OC ZINC000372744162 532407023 /nfs/dbraw/zinc/40/70/23/532407023.db2.gz SPOGGCXDLYMUCN-ZDUSSCGKSA-N 1 2 376.906 2.390 20 0 GEADLO CCCOc1c(Cl)cc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1OC ZINC000372744162 532407028 /nfs/dbraw/zinc/40/70/28/532407028.db2.gz SPOGGCXDLYMUCN-ZDUSSCGKSA-N 1 2 376.906 2.390 20 0 GEADLO C[C@H]1CN(c2ccc(CNS(=O)(=O)CCC(F)(F)F)c[nH+]2)C[C@H](C)O1 ZINC000560040459 532409172 /nfs/dbraw/zinc/40/91/72/532409172.db2.gz LHKCWDPSHGNHJZ-RYUDHWBXSA-N 1 2 381.420 2.067 20 0 GEADLO C[C@@H]1CN(c2ccc(CNS(=O)(=O)CCC(F)(F)F)c[nH+]2)C[C@H](C)O1 ZINC000560040461 532409540 /nfs/dbraw/zinc/40/95/40/532409540.db2.gz LHKCWDPSHGNHJZ-TXEJJXNPSA-N 1 2 381.420 2.067 20 0 GEADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc2c(cncc2Br)s1 ZINC000648926142 532410312 /nfs/dbraw/zinc/41/03/12/532410312.db2.gz CVMBHBYVBJNFSQ-SNVBAGLBSA-N 1 2 384.299 2.197 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc2c(cncc2Br)s1 ZINC000648926142 532410317 /nfs/dbraw/zinc/41/03/17/532410317.db2.gz CVMBHBYVBJNFSQ-SNVBAGLBSA-N 1 2 384.299 2.197 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N(C)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000192781917 532408906 /nfs/dbraw/zinc/40/89/06/532408906.db2.gz WJXUBBWQXSKPKK-BBRMVZONSA-N 1 2 385.302 2.316 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N(C)CC[N@H+]1CCO[C@@H](C)C1 ZINC000192781917 532408910 /nfs/dbraw/zinc/40/89/10/532408910.db2.gz WJXUBBWQXSKPKK-BBRMVZONSA-N 1 2 385.302 2.316 20 0 GEADLO CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000591399552 532411680 /nfs/dbraw/zinc/41/16/80/532411680.db2.gz PCVYBXPPLHLRPS-QZTJIDSGSA-N 1 2 377.595 2.324 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)cc1OC ZINC000192797177 532412137 /nfs/dbraw/zinc/41/21/37/532412137.db2.gz GZAYKMHZZAPCNT-UHFFFAOYSA-N 1 2 376.906 2.320 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CCc1ccc(Br)cc1 ZINC000517342184 532412489 /nfs/dbraw/zinc/41/24/89/532412489.db2.gz YKAIZJIURSDGIH-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CCc1ccc(Br)cc1 ZINC000517342184 532412494 /nfs/dbraw/zinc/41/24/94/532412494.db2.gz YKAIZJIURSDGIH-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO O=C(c1ccccc1Cl)N1CCC[N@H+](CC2CCS(=O)(=O)CC2)CC1 ZINC000372835790 532412655 /nfs/dbraw/zinc/41/26/55/532412655.db2.gz GCJOFULBLDZWAH-UHFFFAOYSA-N 1 2 384.929 2.313 20 0 GEADLO O=C(c1ccccc1Cl)N1CCC[N@@H+](CC2CCS(=O)(=O)CC2)CC1 ZINC000372835790 532412662 /nfs/dbraw/zinc/41/26/62/532412662.db2.gz GCJOFULBLDZWAH-UHFFFAOYSA-N 1 2 384.929 2.313 20 0 GEADLO Cc1cccc(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)c1Br ZINC000295178164 532414449 /nfs/dbraw/zinc/41/44/49/532414449.db2.gz IATYEOJXBRXPFF-UHFFFAOYSA-N 1 2 387.303 2.316 20 0 GEADLO COc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c(Cl)c1 ZINC000517429227 532416862 /nfs/dbraw/zinc/41/68/62/532416862.db2.gz ZKDIZJYFDAUFCO-UHFFFAOYSA-N 1 2 390.933 2.328 20 0 GEADLO C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(Br)cn1 ZINC000280946939 532417044 /nfs/dbraw/zinc/41/70/44/532417044.db2.gz RFDVQAGCASBHRI-LBPRGKRZSA-N 1 2 385.306 2.315 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000591573188 532415133 /nfs/dbraw/zinc/41/51/33/532415133.db2.gz JUAJWHZDHSNEFY-DOMZBBRYSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000591573188 532415137 /nfs/dbraw/zinc/41/51/37/532415137.db2.gz JUAJWHZDHSNEFY-DOMZBBRYSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(Br)cn1 ZINC000280946939 532417049 /nfs/dbraw/zinc/41/70/49/532417049.db2.gz RFDVQAGCASBHRI-LBPRGKRZSA-N 1 2 385.306 2.315 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccccc1Br)[C@@H]1CCn2cc[nH+]c2C1 ZINC000372873642 532415833 /nfs/dbraw/zinc/41/58/33/532415833.db2.gz QFYKYAILFVXRCF-UKRRQHHQSA-N 1 2 392.297 2.175 20 0 GEADLO Cc1nc(N2CCN(c3cc(Br)cc(F)c3C(N)=O)CC2)cc[nH+]1 ZINC000680530754 532415849 /nfs/dbraw/zinc/41/58/49/532415849.db2.gz CDFLHEQEKWDTNE-UHFFFAOYSA-N 1 2 394.248 2.112 20 0 GEADLO O=C(CSc1ccccc1Cl)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000560498845 532417954 /nfs/dbraw/zinc/41/79/54/532417954.db2.gz XWJPBMZXJHHBFD-UHFFFAOYSA-N 1 2 384.929 2.430 20 0 GEADLO COC[C@]1(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)CCC[NH2+]1 ZINC000517535508 532421002 /nfs/dbraw/zinc/42/10/02/532421002.db2.gz BAAGYHHKPLCCPU-MRXNPFEDSA-N 1 2 381.889 2.171 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000680637513 532419884 /nfs/dbraw/zinc/41/98/84/532419884.db2.gz KTTVYIIOFWNANI-ZDUSSCGKSA-N 1 2 378.274 2.133 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000680637513 532419888 /nfs/dbraw/zinc/41/98/88/532419888.db2.gz KTTVYIIOFWNANI-ZDUSSCGKSA-N 1 2 378.274 2.133 20 0 GEADLO CN(C)[C@@H](C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)c1c[nH+]cn1C ZINC000281232754 532422355 /nfs/dbraw/zinc/42/23/55/532422355.db2.gz NAHJNNUSRREIFF-MRXNPFEDSA-N 1 2 385.295 2.351 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)co1 ZINC000649724671 532423613 /nfs/dbraw/zinc/42/36/13/532423613.db2.gz QDDYPULOZJALHB-UHFFFAOYSA-N 1 2 386.539 2.165 20 0 GEADLO C[C@H](Oc1ccc(I)cc1)C(=O)NCc1[nH+]ccn1C ZINC000281139009 532421418 /nfs/dbraw/zinc/42/14/18/532421418.db2.gz DQGZNMSVADYUFM-JTQLQIEISA-N 1 2 385.205 2.108 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)CN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000592002927 532432236 /nfs/dbraw/zinc/43/22/36/532432236.db2.gz OIUBAFWNHAJWBL-VHSXEESVSA-N 1 2 383.217 2.497 20 0 GEADLO Cn1ccnc(N2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)c1=O ZINC000466731537 532432235 /nfs/dbraw/zinc/43/22/35/532432235.db2.gz OVORPWYZDXYLGH-UHFFFAOYSA-N 1 2 383.279 2.288 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@@H](Nc2ncc(Br)cc2F)C1=O ZINC000681393773 532429602 /nfs/dbraw/zinc/42/96/02/532429602.db2.gz FBFKDJMURFKEPH-GFCCVEGCSA-N 1 2 382.237 2.320 20 0 GEADLO CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000466526149 532430509 /nfs/dbraw/zinc/43/05/09/532430509.db2.gz AZIUNFHHLZZQTF-CZUORRHYSA-N 1 2 384.929 2.368 20 0 GEADLO Nc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c[nH+]1 ZINC000373087711 532431099 /nfs/dbraw/zinc/43/10/99/532431099.db2.gz LTTDBCOCRMWXQM-JTQLQIEISA-N 1 2 386.886 2.171 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000626168323 532435885 /nfs/dbraw/zinc/43/58/85/532435885.db2.gz PMRJDFMJJDDKLR-AWEZNQCLSA-N 1 2 387.933 2.157 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000626168323 532435890 /nfs/dbraw/zinc/43/58/90/532435890.db2.gz PMRJDFMJJDDKLR-AWEZNQCLSA-N 1 2 387.933 2.157 20 0 GEADLO COc1cc(Br)c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1OC ZINC000650078478 532433027 /nfs/dbraw/zinc/43/30/27/532433027.db2.gz DNAWTZHASOMVBG-SNVBAGLBSA-N 1 2 380.242 2.408 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132589 532433531 /nfs/dbraw/zinc/43/35/31/532433531.db2.gz PTRYARIDQJPQCG-BXUZGUMPSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132589 532433539 /nfs/dbraw/zinc/43/35/39/532433539.db2.gz PTRYARIDQJPQCG-BXUZGUMPSA-N 1 2 376.266 2.359 20 0 GEADLO C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295328736 532433670 /nfs/dbraw/zinc/43/36/70/532433670.db2.gz MOXQCSKIIMRAEQ-SMDDNHRTSA-N 1 2 379.258 2.232 20 0 GEADLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295328736 532433679 /nfs/dbraw/zinc/43/36/79/532433679.db2.gz MOXQCSKIIMRAEQ-SMDDNHRTSA-N 1 2 379.258 2.232 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132592 532434059 /nfs/dbraw/zinc/43/40/59/532434059.db2.gz PTRYARIDQJPQCG-SMDDNHRTSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132592 532434066 /nfs/dbraw/zinc/43/40/66/532434066.db2.gz PTRYARIDQJPQCG-SMDDNHRTSA-N 1 2 376.266 2.359 20 0 GEADLO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000518035245 532434201 /nfs/dbraw/zinc/43/42/01/532434201.db2.gz KVXGXFUDKRXHKJ-CQSZACIVSA-N 1 2 399.314 2.115 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000626168488 532435049 /nfs/dbraw/zinc/43/50/49/532435049.db2.gz TUWIKFQQPOYOCF-NSHDSACASA-N 1 2 394.324 2.193 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000626168488 532435056 /nfs/dbraw/zinc/43/50/56/532435056.db2.gz TUWIKFQQPOYOCF-NSHDSACASA-N 1 2 394.324 2.193 20 0 GEADLO CSc1ccc(-c2nsc(NC(=O)NC[C@@H]3COCC[N@@H+]3C)n2)cc1 ZINC000626567552 532440975 /nfs/dbraw/zinc/44/09/75/532440975.db2.gz UZKCJIUFXNNIIW-GFCCVEGCSA-N 1 2 379.511 2.379 20 0 GEADLO CSc1ccc(-c2nsc(NC(=O)NC[C@@H]3COCC[N@H+]3C)n2)cc1 ZINC000626567552 532440980 /nfs/dbraw/zinc/44/09/80/532440980.db2.gz UZKCJIUFXNNIIW-GFCCVEGCSA-N 1 2 379.511 2.379 20 0 GEADLO Cc1nc2cc(Br)cc(NC(=O)NC[C@H]3COCC[N@H+]3C)c2o1 ZINC000626507927 532437479 /nfs/dbraw/zinc/43/74/79/532437479.db2.gz UKTSTMJNEFGDFV-NSHDSACASA-N 1 2 383.246 2.351 20 0 GEADLO Cc1nc2cc(Br)cc(NC(=O)NC[C@H]3COCC[N@@H+]3C)c2o1 ZINC000626507927 532437486 /nfs/dbraw/zinc/43/74/86/532437486.db2.gz UKTSTMJNEFGDFV-NSHDSACASA-N 1 2 383.246 2.351 20 0 GEADLO Cc1oc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)cc1S(C)(=O)=O ZINC000626933243 532445627 /nfs/dbraw/zinc/44/56/27/532445627.db2.gz RRHRKZDBUQFFEY-AWEZNQCLSA-N 1 2 382.869 2.432 20 0 GEADLO CCSCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000561687902 532448213 /nfs/dbraw/zinc/44/82/13/532448213.db2.gz ZTIBPHSKAZFOCV-CVEARBPZSA-N 1 2 383.945 2.461 20 0 GEADLO CCSCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000561687902 532448222 /nfs/dbraw/zinc/44/82/22/532448222.db2.gz ZTIBPHSKAZFOCV-CVEARBPZSA-N 1 2 383.945 2.461 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1cccc(F)c1Br ZINC000295460296 532448943 /nfs/dbraw/zinc/44/89/43/532448943.db2.gz HUWNZIQJDUHRKR-ZDUSSCGKSA-N 1 2 398.232 2.144 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1cccc(F)c1Br ZINC000295460296 532448948 /nfs/dbraw/zinc/44/89/48/532448948.db2.gz HUWNZIQJDUHRKR-ZDUSSCGKSA-N 1 2 398.232 2.144 20 0 GEADLO OC[C@H]1CC[N@H+](Cc2ccc(I)cc2Cl)C[C@@H]1O ZINC000561783404 532451861 /nfs/dbraw/zinc/45/18/61/532451861.db2.gz VIEJSXOLXSILBM-MFKMUULPSA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@H]1CC[N@@H+](Cc2ccc(I)cc2Cl)C[C@@H]1O ZINC000561783404 532451864 /nfs/dbraw/zinc/45/18/64/532451864.db2.gz VIEJSXOLXSILBM-MFKMUULPSA-N 1 2 381.641 2.120 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1cc(F)cc(Br)c1 ZINC000518919871 532449494 /nfs/dbraw/zinc/44/94/94/532449494.db2.gz DFHWRUKGUDTLBE-GASCZTMLSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1cc(F)cc(Br)c1 ZINC000518919871 532449498 /nfs/dbraw/zinc/44/94/98/532449498.db2.gz DFHWRUKGUDTLBE-GASCZTMLSA-N 1 2 386.265 2.251 20 0 GEADLO Cc1ccc(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c(C)c1Br ZINC000682910222 532450814 /nfs/dbraw/zinc/45/08/14/532450814.db2.gz NINSIOSBUKYKAK-UHFFFAOYSA-N 1 2 382.302 2.088 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)c1ccnc(Cl)c1I ZINC000295522402 532454810 /nfs/dbraw/zinc/45/48/10/532454810.db2.gz AWOXLOWEVCFPKP-UHFFFAOYSA-N 1 2 390.612 2.486 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000628011080 532462370 /nfs/dbraw/zinc/46/23/70/532462370.db2.gz PBEIQKSXCPKQSH-UHFFFAOYSA-N 1 2 375.296 2.343 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)COc2ccc(Br)cc2F)CCO1 ZINC000194900873 532463576 /nfs/dbraw/zinc/46/35/76/532463576.db2.gz NFRXZHJQEWBTFY-UHFFFAOYSA-N 1 2 389.265 2.194 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)COc2ccc(Br)cc2F)CCO1 ZINC000194900873 532463583 /nfs/dbraw/zinc/46/35/83/532463583.db2.gz NFRXZHJQEWBTFY-UHFFFAOYSA-N 1 2 389.265 2.194 20 0 GEADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000282410559 532465395 /nfs/dbraw/zinc/46/53/95/532465395.db2.gz QFTQMMIOVSZGLT-RDDDGLTNSA-N 1 2 377.080 2.221 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)NCc1ccc(Br)c(F)c1 ZINC000195051843 532465685 /nfs/dbraw/zinc/46/56/85/532465685.db2.gz QKTGDRBRYHJBCN-UHFFFAOYSA-N 1 2 382.189 2.247 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000373737611 532466290 /nfs/dbraw/zinc/46/62/90/532466290.db2.gz SFLJLQWSBJDAHE-MNOVXSKESA-N 1 2 393.289 2.329 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2ccccc2I)CCO1 ZINC000194903467 532463246 /nfs/dbraw/zinc/46/32/46/532463246.db2.gz YMFROIZLHMAMQS-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2ccccc2I)CCO1 ZINC000194903467 532463251 /nfs/dbraw/zinc/46/32/51/532463251.db2.gz YMFROIZLHMAMQS-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)c1cccc2c1OCCC2 ZINC000651529295 532473467 /nfs/dbraw/zinc/47/34/67/532473467.db2.gz FSXDVTPCUGFKGF-UHFFFAOYSA-N 1 2 378.519 2.410 20 0 GEADLO CCC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@H]1CC(=O)N(C)C1=O ZINC000282466496 532469994 /nfs/dbraw/zinc/46/99/94/532469994.db2.gz KIMFSBCKDKVJMI-VIFPVBQESA-N 1 2 397.229 2.061 20 0 GEADLO CCC[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@H]1CC(=O)N(C)C1=O ZINC000282466496 532469999 /nfs/dbraw/zinc/46/99/99/532469999.db2.gz KIMFSBCKDKVJMI-VIFPVBQESA-N 1 2 397.229 2.061 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCc2sccc2C1)c1cccc2c1OCCC2 ZINC000651529295 532473472 /nfs/dbraw/zinc/47/34/72/532473472.db2.gz FSXDVTPCUGFKGF-UHFFFAOYSA-N 1 2 378.519 2.410 20 0 GEADLO OCC[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1ccccc1Br ZINC000429330123 532472631 /nfs/dbraw/zinc/47/26/31/532472631.db2.gz LZHOUCNEUXFXBZ-NSHDSACASA-N 1 2 394.195 2.211 20 0 GEADLO O=c1[nH]nc(C2CC[NH+](Cc3cc4c(cc3Br)OCCO4)CC2)[nH]1 ZINC000373835029 532473231 /nfs/dbraw/zinc/47/32/31/532473231.db2.gz IRIYOXFBUFQIOR-UHFFFAOYSA-N 1 2 395.257 2.424 20 0 GEADLO Cc1cc(Br)sc1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000651578964 532479492 /nfs/dbraw/zinc/47/94/92/532479492.db2.gz KGUFMGGSEKURNE-LLVKDONJSA-N 1 2 377.329 2.454 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000195486551 532479613 /nfs/dbraw/zinc/47/96/13/532479613.db2.gz UAJMMJLZRMIANJ-UHFFFAOYSA-N 1 2 390.237 2.376 20 0 GEADLO CCc1cc(N)nc(S[C@H]2CCN(S(=O)(=O)c3ccc(C)cc3)C2)[nH+]1 ZINC000629178728 532482281 /nfs/dbraw/zinc/48/22/81/532482281.db2.gz HWAFXWPBCAJXSL-AWEZNQCLSA-N 1 2 378.523 2.485 20 0 GEADLO CCOC(=O)[C@@H](F)C1C[NH+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000295860151 532482545 /nfs/dbraw/zinc/48/25/45/532482545.db2.gz DWAJOLPHJFHHIX-KGLIPLIRSA-N 1 2 378.213 2.455 20 0 GEADLO O=S(=O)(c1cc[nH]n1)N1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000429789855 532482750 /nfs/dbraw/zinc/48/27/50/532482750.db2.gz RAIFZBUBCHKXFP-UHFFFAOYSA-N 1 2 380.539 2.040 20 0 GEADLO CCOC(=O)[C@@H](F)C1C[NH+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000295860146 532482683 /nfs/dbraw/zinc/48/26/83/532482683.db2.gz DWAJOLPHJFHHIX-KBPBESRZSA-N 1 2 378.213 2.455 20 0 GEADLO CC[C@@H](Cn1cncn1)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000562839597 532485201 /nfs/dbraw/zinc/48/52/01/532485201.db2.gz URBQXCPZQHFYQB-ZDUSSCGKSA-N 1 2 376.262 2.394 20 0 GEADLO CC[C@@H](Cn1cncn1)[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000562839597 532485205 /nfs/dbraw/zinc/48/52/05/532485205.db2.gz URBQXCPZQHFYQB-ZDUSSCGKSA-N 1 2 376.262 2.394 20 0 GEADLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1csnc1C(=O)OC ZINC000430013260 532487951 /nfs/dbraw/zinc/48/79/51/532487951.db2.gz PAJDPERRGOFWNK-NSHDSACASA-N 1 2 384.483 2.062 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)C2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000469053196 532488738 /nfs/dbraw/zinc/48/87/38/532488738.db2.gz WSCRLUQRSAYUQY-UHFFFAOYSA-N 1 2 384.307 2.305 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000430130567 532491081 /nfs/dbraw/zinc/49/10/81/532491081.db2.gz WQEOIWPXPYHTIP-CABCVRRESA-N 1 2 392.297 2.175 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1c(Cl)cncc1Cl ZINC000629431494 532491149 /nfs/dbraw/zinc/49/11/49/532491149.db2.gz FWDDVBAZCQIFEA-CYBMUJFWSA-N 1 2 381.263 2.414 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1c(Cl)cncc1Cl ZINC000629431494 532491156 /nfs/dbraw/zinc/49/11/56/532491156.db2.gz FWDDVBAZCQIFEA-CYBMUJFWSA-N 1 2 381.263 2.414 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000430130569 532491340 /nfs/dbraw/zinc/49/13/40/532491340.db2.gz WQEOIWPXPYHTIP-GJZGRUSLSA-N 1 2 392.297 2.175 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccc(Br)o1 ZINC000629439517 532491436 /nfs/dbraw/zinc/49/14/36/532491436.db2.gz LZTMHQMZCYTHAS-CYBMUJFWSA-N 1 2 380.242 2.068 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccc(Br)o1 ZINC000629439517 532491444 /nfs/dbraw/zinc/49/14/44/532491444.db2.gz LZTMHQMZCYTHAS-CYBMUJFWSA-N 1 2 380.242 2.068 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccoc1Br ZINC000629435762 532492488 /nfs/dbraw/zinc/49/24/88/532492488.db2.gz ONUJMZWOVQLPTA-CYBMUJFWSA-N 1 2 380.242 2.068 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccoc1Br ZINC000629435762 532492494 /nfs/dbraw/zinc/49/24/94/532492494.db2.gz ONUJMZWOVQLPTA-CYBMUJFWSA-N 1 2 380.242 2.068 20 0 GEADLO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000520575114 532495766 /nfs/dbraw/zinc/49/57/66/532495766.db2.gz BWPZZTHBGHEUBM-GOSISDBHSA-N 1 2 384.929 2.385 20 0 GEADLO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000520575114 532495772 /nfs/dbraw/zinc/49/57/72/532495772.db2.gz BWPZZTHBGHEUBM-GOSISDBHSA-N 1 2 384.929 2.385 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000295791750 532475190 /nfs/dbraw/zinc/47/51/90/532475190.db2.gz RAXYXUZVBKEFCV-AWEZNQCLSA-N 1 2 391.269 2.335 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)C(C)(C)CO ZINC000295783975 532475763 /nfs/dbraw/zinc/47/57/63/532475763.db2.gz QZUIRVCIHKDARZ-LLVKDONJSA-N 1 2 393.296 2.160 20 0 GEADLO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628920160 532475956 /nfs/dbraw/zinc/47/59/56/532475956.db2.gz BJUVNVKGFFKVTE-PWSUYJOCSA-N 1 2 391.693 2.317 20 0 GEADLO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628920160 532475963 /nfs/dbraw/zinc/47/59/63/532475963.db2.gz BJUVNVKGFFKVTE-PWSUYJOCSA-N 1 2 391.693 2.317 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)C(C)(C)CO ZINC000295783864 532476066 /nfs/dbraw/zinc/47/60/66/532476066.db2.gz QXQKEPCQVIABKK-ZDUSSCGKSA-N 1 2 375.853 2.251 20 0 GEADLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296109172 532502857 /nfs/dbraw/zinc/50/28/57/532502857.db2.gz DVHBTYCEVVUCNU-SECBINFHSA-N 1 2 379.404 2.019 20 0 GEADLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000431100385 532506025 /nfs/dbraw/zinc/50/60/25/532506025.db2.gz VFLVZBSYEREJDW-NXEZZACHSA-N 1 2 392.257 2.016 20 0 GEADLO C[N@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296219387 532506913 /nfs/dbraw/zinc/50/69/13/532506913.db2.gz KBMZYMFXYDNDEP-HNNXBMFYSA-N 1 2 391.917 2.062 20 0 GEADLO C[N@@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296219387 532506916 /nfs/dbraw/zinc/50/69/16/532506916.db2.gz KBMZYMFXYDNDEP-HNNXBMFYSA-N 1 2 391.917 2.062 20 0 GEADLO C[C@@H]1C[C@H](S(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000296214717 532507021 /nfs/dbraw/zinc/50/70/21/532507021.db2.gz MOGXVSBMCYYOJA-KBAYOESNSA-N 1 2 384.567 2.091 20 0 GEADLO C[C@@H]1C[C@H](S(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CCO1 ZINC000296214717 532507024 /nfs/dbraw/zinc/50/70/24/532507024.db2.gz MOGXVSBMCYYOJA-KBAYOESNSA-N 1 2 384.567 2.091 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000296397827 532519042 /nfs/dbraw/zinc/51/90/42/532519042.db2.gz SYBCBOYDPWYILR-SJCJKPOMSA-N 1 2 399.285 2.288 20 0 GEADLO COC[C@]1(C(=O)OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000296397827 532519048 /nfs/dbraw/zinc/51/90/48/532519048.db2.gz SYBCBOYDPWYILR-SJCJKPOMSA-N 1 2 399.285 2.288 20 0 GEADLO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000282981618 532511674 /nfs/dbraw/zinc/51/16/74/532511674.db2.gz KGWDYSWXGSYLJS-AWEZNQCLSA-N 1 2 388.555 2.170 20 0 GEADLO C[C@H]1CCCC[N@H+]1CCCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000282981618 532511678 /nfs/dbraw/zinc/51/16/78/532511678.db2.gz KGWDYSWXGSYLJS-AWEZNQCLSA-N 1 2 388.555 2.170 20 0 GEADLO O=C(NC[C@H]1CCCC[NH2+]1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000237985694 532514674 /nfs/dbraw/zinc/51/46/74/532514674.db2.gz UPQMVFHSRIWVGL-OAHLLOKOSA-N 1 2 379.507 2.421 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000564087720 532515491 /nfs/dbraw/zinc/51/54/91/532515491.db2.gz DRWICPLLABAZNK-UHFFFAOYSA-N 1 2 381.841 2.453 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000564086911 532516125 /nfs/dbraw/zinc/51/61/25/532516125.db2.gz WHFQOMYGQRJMAE-MNOVXSKESA-N 1 2 389.905 2.020 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000564086911 532516132 /nfs/dbraw/zinc/51/61/32/532516132.db2.gz WHFQOMYGQRJMAE-MNOVXSKESA-N 1 2 389.905 2.020 20 0 GEADLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000431603234 532516907 /nfs/dbraw/zinc/51/69/07/532516907.db2.gz KDWWYJASYLAJJU-UHFFFAOYSA-N 1 2 387.255 2.340 20 0 GEADLO O=S(=O)(C1CCC(C(F)(F)F)CC1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000521625777 532517336 /nfs/dbraw/zinc/51/73/36/532517336.db2.gz NFEUNBVJUHMHKQ-NRXISQOPSA-N 1 2 377.432 2.479 20 0 GEADLO COc1cc[nH+]cc1CNS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000431574757 532517603 /nfs/dbraw/zinc/51/76/03/532517603.db2.gz NMOFSTDZAZRHPD-UHFFFAOYSA-N 1 2 399.266 2.266 20 0 GEADLO O=S(=O)(C1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1)N1CCCC1 ZINC000282816283 532498608 /nfs/dbraw/zinc/49/86/08/532498608.db2.gz SYQMNFARXVLEID-UHFFFAOYSA-N 1 2 382.917 2.378 20 0 GEADLO CN(C)c1[nH+]cccc1N(C)C(=O)CCn1cc(Br)ccc1=O ZINC000430461277 532500604 /nfs/dbraw/zinc/50/06/04/532500604.db2.gz YAZHYDFBGDNMML-UHFFFAOYSA-N 1 2 379.258 2.125 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)CSCc2cccc(Cl)c2)CC1 ZINC000593885801 532501099 /nfs/dbraw/zinc/50/10/99/532501099.db2.gz ARKRZAHBNKRTAJ-UHFFFAOYSA-N 1 2 386.945 2.380 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)ccc1Br ZINC000470768066 532535456 /nfs/dbraw/zinc/53/54/56/532535456.db2.gz XVYAVSMXWUTRFZ-UHFFFAOYSA-N 1 2 382.239 2.300 20 0 GEADLO O=C(NCc1ccc(Br)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000283402577 532537697 /nfs/dbraw/zinc/53/76/97/532537697.db2.gz AJZWRSAJUMOXEX-UHFFFAOYSA-N 1 2 391.269 2.126 20 0 GEADLO O=C(NCCc1cn2c(n1)SCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000526049875 532537724 /nfs/dbraw/zinc/53/77/24/532537724.db2.gz YAIXXFDAPDIMNF-UHFFFAOYSA-N 1 2 377.539 2.120 20 0 GEADLO O=C(Cc1csc2ccc(Br)cc12)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000471041246 532540209 /nfs/dbraw/zinc/54/02/09/532540209.db2.gz BOBFLKWOIHBHFK-CQSZACIVSA-N 1 2 394.338 2.322 20 0 GEADLO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000564961054 532540475 /nfs/dbraw/zinc/54/04/75/532540475.db2.gz QHTNECVKDNWMPR-LLVKDONJSA-N 1 2 383.258 2.294 20 0 GEADLO CC[C@]1(NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCOC1 ZINC000653698563 532540676 /nfs/dbraw/zinc/54/06/76/532540676.db2.gz VWKAQFNAEJOHJJ-INIZCTEOSA-N 1 2 399.289 2.371 20 0 GEADLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cs1 ZINC000631085528 532542443 /nfs/dbraw/zinc/54/24/43/532542443.db2.gz HGLUAPYCNAEBSE-SECBINFHSA-N 1 2 375.903 2.441 20 0 GEADLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@H](C)O2 ZINC000565048303 532544245 /nfs/dbraw/zinc/54/42/45/532544245.db2.gz JYJPSTIQUXRXKN-IIYDPXPESA-N 1 2 388.917 2.146 20 0 GEADLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@H](C)O2 ZINC000565048303 532544248 /nfs/dbraw/zinc/54/42/48/532544248.db2.gz JYJPSTIQUXRXKN-IIYDPXPESA-N 1 2 388.917 2.146 20 0 GEADLO OC[C@H]([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1ccc(Br)c(F)c1 ZINC000631141974 532544727 /nfs/dbraw/zinc/54/47/27/532544727.db2.gz IPTSNHVPOZIILQ-ZBEGNZNMSA-N 1 2 399.264 2.039 20 0 GEADLO Cc1cccc2[nH+]c(CS(=O)(=O)Cc3c(Br)cnn3C)cn21 ZINC000630442680 532520298 /nfs/dbraw/zinc/52/02/98/532520298.db2.gz QYPYWKYJHDDEDA-UHFFFAOYSA-N 1 2 383.271 2.254 20 0 GEADLO Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000245559313 532521478 /nfs/dbraw/zinc/52/14/78/532521478.db2.gz BMSGWUHOJQQXOU-UKRRQHHQSA-N 1 2 381.274 2.154 20 0 GEADLO Cn1cnnc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000245559313 532521481 /nfs/dbraw/zinc/52/14/81/532521481.db2.gz BMSGWUHOJQQXOU-UKRRQHHQSA-N 1 2 381.274 2.154 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000564356476 532522706 /nfs/dbraw/zinc/52/27/06/532522706.db2.gz JCCQGCJFHKEMNJ-UHFFFAOYSA-N 1 2 394.273 2.271 20 0 GEADLO Cc1cc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000374929855 532523008 /nfs/dbraw/zinc/52/30/08/532523008.db2.gz LQCXPOCVWOYFLO-MRXNPFEDSA-N 1 2 380.901 2.358 20 0 GEADLO Cc1cc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000374929855 532523013 /nfs/dbraw/zinc/52/30/13/532523013.db2.gz LQCXPOCVWOYFLO-MRXNPFEDSA-N 1 2 380.901 2.358 20 0 GEADLO CC(C)OCCS(=O)(=O)N1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000470219099 532523174 /nfs/dbraw/zinc/52/31/74/532523174.db2.gz IWUUVXYEGJQPEI-UHFFFAOYSA-N 1 2 390.933 2.091 20 0 GEADLO CN=c1[nH]nc(CC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)s1 ZINC000652871683 532523356 /nfs/dbraw/zinc/52/33/56/532523356.db2.gz RCZFOZJHPAJRCD-UHFFFAOYSA-N 1 2 377.539 2.371 20 0 GEADLO Cc1cc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000374929852 532523471 /nfs/dbraw/zinc/52/34/71/532523471.db2.gz LQCXPOCVWOYFLO-INIZCTEOSA-N 1 2 380.901 2.358 20 0 GEADLO Cc1cc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000374929852 532523474 /nfs/dbraw/zinc/52/34/74/532523474.db2.gz LQCXPOCVWOYFLO-INIZCTEOSA-N 1 2 380.901 2.358 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@H]1C ZINC000245862990 532525016 /nfs/dbraw/zinc/52/50/16/532525016.db2.gz CTPGPDREZZGSHW-ZJUUUORDSA-N 1 2 391.693 2.335 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@H]1C ZINC000245862990 532525020 /nfs/dbraw/zinc/52/50/20/532525020.db2.gz CTPGPDREZZGSHW-ZJUUUORDSA-N 1 2 391.693 2.335 20 0 GEADLO Cc1ncc(CNC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)s1 ZINC000283215838 532526236 /nfs/dbraw/zinc/52/62/36/532526236.db2.gz AUPVFELSENWYOQ-OAHLLOKOSA-N 1 2 380.901 2.140 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)c2cccc(I)c2)CCO1 ZINC000470463826 532530538 /nfs/dbraw/zinc/53/05/38/532530538.db2.gz NBQLQCJCZANLIC-CQSZACIVSA-N 1 2 388.249 2.132 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cccc(I)c2)CCO1 ZINC000470463826 532530542 /nfs/dbraw/zinc/53/05/42/532530542.db2.gz NBQLQCJCZANLIC-CQSZACIVSA-N 1 2 388.249 2.132 20 0 GEADLO CSc1cc(N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)nc(SC)n1 ZINC000564740151 532531045 /nfs/dbraw/zinc/53/10/45/532531045.db2.gz JGIKUBSPIGFZBP-NSHDSACASA-N 1 2 378.527 2.257 20 0 GEADLO COc1c(Cl)cc(NC(=O)N(CCO)CC[NH+]2CCOCC2)cc1Cl ZINC000470594546 532532424 /nfs/dbraw/zinc/53/24/24/532532424.db2.gz GBWLBQFFMYBWPE-UHFFFAOYSA-N 1 2 392.283 2.160 20 0 GEADLO CCn1nc(C)c(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000296672898 532533483 /nfs/dbraw/zinc/53/34/83/532533483.db2.gz GGQNZRBVQMBDSR-CQSZACIVSA-N 1 2 378.274 2.264 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)[C@H](C)C1 ZINC000246190367 532534221 /nfs/dbraw/zinc/53/42/21/532534221.db2.gz WZRLXCCAVSFQID-GFCCVEGCSA-N 1 2 392.880 2.045 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)[C@H](C)C1 ZINC000246190367 532534226 /nfs/dbraw/zinc/53/42/26/532534226.db2.gz WZRLXCCAVSFQID-GFCCVEGCSA-N 1 2 392.880 2.045 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000248252188 532551310 /nfs/dbraw/zinc/55/13/10/532551310.db2.gz SQUMUIJHCBAMKM-CYBMUJFWSA-N 1 2 380.432 2.341 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000248252188 532551314 /nfs/dbraw/zinc/55/13/14/532551314.db2.gz SQUMUIJHCBAMKM-CYBMUJFWSA-N 1 2 380.432 2.341 20 0 GEADLO C[C@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1ncc(Br)cn1 ZINC000432995632 532551562 /nfs/dbraw/zinc/55/15/62/532551562.db2.gz RCLIUUCUBAOURD-NSHDSACASA-N 1 2 381.249 2.388 20 0 GEADLO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000433010668 532553359 /nfs/dbraw/zinc/55/33/59/532553359.db2.gz YQFNHCGFXYYEBB-SNVBAGLBSA-N 1 2 392.257 2.487 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000296914579 532553369 /nfs/dbraw/zinc/55/33/69/532553369.db2.gz SYCOQGBFNMJODG-UHFFFAOYSA-N 1 2 384.889 2.220 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000248648487 532553612 /nfs/dbraw/zinc/55/36/12/532553612.db2.gz JTMBTFZYDRXVPE-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000248648487 532553618 /nfs/dbraw/zinc/55/36/18/532553618.db2.gz JTMBTFZYDRXVPE-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO COC(=O)c1cc(NC(=O)NCc2[nH+]ccn2C)cc(Br)c1F ZINC000433105021 532555572 /nfs/dbraw/zinc/55/55/72/532555572.db2.gz PKOZBNIRDDQPNI-UHFFFAOYSA-N 1 2 385.193 2.430 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(=O)n1C ZINC000375412889 532556304 /nfs/dbraw/zinc/55/63/04/532556304.db2.gz FGFLCISPHOSBDS-UHFFFAOYSA-N 1 2 379.258 2.199 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(=O)n1C ZINC000375412889 532556307 /nfs/dbraw/zinc/55/63/07/532556307.db2.gz FGFLCISPHOSBDS-UHFFFAOYSA-N 1 2 379.258 2.199 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]C[C@H](n2cncn2)C(F)(F)F)c2cc(F)ccc21 ZINC000631687514 532556407 /nfs/dbraw/zinc/55/64/07/532556407.db2.gz FOJREHCVBOTMCQ-YPMHNXCESA-N 1 2 378.351 2.029 20 0 GEADLO Cn1cc(Br)c(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)n1 ZINC000433188058 532556944 /nfs/dbraw/zinc/55/69/44/532556944.db2.gz KUEJSSQPTUAOMZ-JTQLQIEISA-N 1 2 397.239 2.463 20 0 GEADLO Cn1cc(Br)c(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)n1 ZINC000433188058 532556950 /nfs/dbraw/zinc/55/69/50/532556950.db2.gz KUEJSSQPTUAOMZ-JTQLQIEISA-N 1 2 397.239 2.463 20 0 GEADLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000433183830 532557192 /nfs/dbraw/zinc/55/71/92/532557192.db2.gz UHMPGCQXLNBOFU-MTNMJMNLSA-N 1 2 376.316 2.032 20 0 GEADLO C[C@@H]1CC[S@@](=O)CC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000433183830 532557198 /nfs/dbraw/zinc/55/71/98/532557198.db2.gz UHMPGCQXLNBOFU-MTNMJMNLSA-N 1 2 376.316 2.032 20 0 GEADLO COc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)cc(I)c1OC ZINC000471801388 532559090 /nfs/dbraw/zinc/55/90/90/532559090.db2.gz ZXBYPTVHFPYASG-GXSJLCMTSA-N 1 2 377.222 2.264 20 0 GEADLO COc1cc(C[N@H+]2C[C@H](O)C[C@@H]2C)cc(I)c1OC ZINC000471801388 532559095 /nfs/dbraw/zinc/55/90/95/532559095.db2.gz ZXBYPTVHFPYASG-GXSJLCMTSA-N 1 2 377.222 2.264 20 0 GEADLO CC1(C)C[N@H+](CCNS(C)(=O)=O)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433291841 532560643 /nfs/dbraw/zinc/56/06/43/532560643.db2.gz XNWUQWSRFVHBJA-AWEZNQCLSA-N 1 2 380.432 2.407 20 0 GEADLO CC1(C)C[N@@H+](CCNS(C)(=O)=O)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433291841 532560646 /nfs/dbraw/zinc/56/06/46/532560646.db2.gz XNWUQWSRFVHBJA-AWEZNQCLSA-N 1 2 380.432 2.407 20 0 GEADLO CCN(CCS(C)(=O)=O)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297037553 532562212 /nfs/dbraw/zinc/56/22/12/532562212.db2.gz BKAXVWIMPHNMHW-UHFFFAOYSA-N 1 2 384.889 2.102 20 0 GEADLO CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000565434903 532563812 /nfs/dbraw/zinc/56/38/12/532563812.db2.gz WPRUPCFAHRROBN-GFCCVEGCSA-N 1 2 386.499 2.020 20 0 GEADLO CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249389346 532564829 /nfs/dbraw/zinc/56/48/29/532564829.db2.gz XSHUKQLPYJJLTD-HOCLYGCPSA-N 1 2 380.286 2.155 20 0 GEADLO CC(=O)N[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249389346 532564836 /nfs/dbraw/zinc/56/48/36/532564836.db2.gz XSHUKQLPYJJLTD-HOCLYGCPSA-N 1 2 380.286 2.155 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000433365261 532565938 /nfs/dbraw/zinc/56/59/38/532565938.db2.gz WEDPAJSESCHXEY-OKILXGFUSA-N 1 2 390.933 2.387 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000433365261 532565945 /nfs/dbraw/zinc/56/59/45/532565945.db2.gz WEDPAJSESCHXEY-OKILXGFUSA-N 1 2 390.933 2.387 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000433368379 532566278 /nfs/dbraw/zinc/56/62/78/532566278.db2.gz UCCGGIUIMISPTD-LBPRGKRZSA-N 1 2 381.325 2.476 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000433364852 532566381 /nfs/dbraw/zinc/56/63/81/532566381.db2.gz VIWYPAFEQIZZKW-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC000433364852 532566387 /nfs/dbraw/zinc/56/63/87/532566387.db2.gz VIWYPAFEQIZZKW-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000283921659 532567090 /nfs/dbraw/zinc/56/70/90/532567090.db2.gz IVRVCMCUTHZTLS-WBMJQRKESA-N 1 2 397.317 2.315 20 0 GEADLO Cc1nc2[nH]ccc2c(N(C)CC(=O)Nc2ccc(Br)cn2)[nH+]1 ZINC000433409057 532567434 /nfs/dbraw/zinc/56/74/34/532567434.db2.gz FTAXJAZURJQKHG-UHFFFAOYSA-N 1 2 375.230 2.499 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H](CO)O1 ZINC000249491386 532568026 /nfs/dbraw/zinc/56/80/26/532568026.db2.gz VINZNCFHBHSORV-LRDDRELGSA-N 1 2 378.270 2.488 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H](CO)O1 ZINC000249491386 532568033 /nfs/dbraw/zinc/56/80/33/532568033.db2.gz VINZNCFHBHSORV-LRDDRELGSA-N 1 2 378.270 2.488 20 0 GEADLO O=C1O[C@@H](C[N@@H+]2CCn3c(Br)cnc3C2)CN1c1ccccc1 ZINC000375618717 532568862 /nfs/dbraw/zinc/56/88/62/532568862.db2.gz UVBHRSDFKKJUAV-ZDUSSCGKSA-N 1 2 377.242 2.487 20 0 GEADLO O=C1O[C@@H](C[N@H+]2CCn3c(Br)cnc3C2)CN1c1ccccc1 ZINC000375618717 532568869 /nfs/dbraw/zinc/56/88/69/532568869.db2.gz UVBHRSDFKKJUAV-ZDUSSCGKSA-N 1 2 377.242 2.487 20 0 GEADLO C[C@@H]1C[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000472280098 532569378 /nfs/dbraw/zinc/56/93/78/532569378.db2.gz RPJKGUUJCZZPEI-LSDHHAIUSA-N 1 2 384.567 2.384 20 0 GEADLO C[C@@H]1C[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000472280098 532569383 /nfs/dbraw/zinc/56/93/83/532569383.db2.gz RPJKGUUJCZZPEI-LSDHHAIUSA-N 1 2 384.567 2.384 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000375618930 532569520 /nfs/dbraw/zinc/56/95/20/532569520.db2.gz QITONZNVZHNGHO-DOMZBBRYSA-N 1 2 376.881 2.104 20 0 GEADLO COc1cc(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c(Br)cc1O ZINC000631167097 532546252 /nfs/dbraw/zinc/54/62/52/532546252.db2.gz QJTOZQIJJCDPES-LLVKDONJSA-N 1 2 397.273 2.081 20 0 GEADLO Cc1csc([C@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C(F)(F)F)n1 ZINC000296831784 532546333 /nfs/dbraw/zinc/54/63/33/532546333.db2.gz DVEGGPJQWBDOOA-NSHDSACASA-N 1 2 378.420 2.219 20 0 GEADLO CCc1nc(CNc2nc(C)[nH+]c(NCc3csc(CC)n3)n2)cs1 ZINC000432840584 532547660 /nfs/dbraw/zinc/54/76/60/532547660.db2.gz CUAGDCAXRZSMHS-UHFFFAOYSA-N 1 2 375.527 2.286 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(C(N)=O)cc1 ZINC000248019301 532549042 /nfs/dbraw/zinc/54/90/42/532549042.db2.gz RAZGLLBLJUGOMV-UHFFFAOYSA-N 1 2 377.242 2.014 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(C(N)=O)cc1 ZINC000248019301 532549048 /nfs/dbraw/zinc/54/90/48/532549048.db2.gz RAZGLLBLJUGOMV-UHFFFAOYSA-N 1 2 377.242 2.014 20 0 GEADLO COc1cc(OC)c(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1Cl ZINC000528790333 532582543 /nfs/dbraw/zinc/58/25/43/532582543.db2.gz ZQZOMQGKFKQAKX-FIRCGALFSA-N 1 2 386.901 2.281 20 0 GEADLO COc1cc(OC)c(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1Cl ZINC000528790333 532582550 /nfs/dbraw/zinc/58/25/50/532582550.db2.gz ZQZOMQGKFKQAKX-FIRCGALFSA-N 1 2 386.901 2.281 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433929433 532584460 /nfs/dbraw/zinc/58/44/60/532584460.db2.gz GKWYXPWUOUFQHD-UHFFFAOYSA-N 1 2 382.302 2.455 20 0 GEADLO O=C(Cc1cc(Cl)cc(Cl)c1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000528827788 532584466 /nfs/dbraw/zinc/58/44/66/532584466.db2.gz BRIIATJWUKOAJE-KRWDZBQOSA-N 1 2 387.307 2.486 20 0 GEADLO O=C(c1cn2ccc(Br)cc2n1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000375902602 532585579 /nfs/dbraw/zinc/58/55/79/532585579.db2.gz PWFRCUQKDZVXKL-AWEZNQCLSA-N 1 2 386.253 2.279 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C1(S(=O)(=O)c2ccccc2)CC1)c1ccsc1 ZINC000596071986 532585910 /nfs/dbraw/zinc/58/59/10/532585910.db2.gz FLPIAJUPIKWXQO-INIZCTEOSA-N 1 2 378.519 2.474 20 0 GEADLO OC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)c1ccsc1 ZINC000473172144 532586320 /nfs/dbraw/zinc/58/63/20/532586320.db2.gz STDMWYURBSEGHU-GFCCVEGCSA-N 1 2 380.271 2.310 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000284305093 532586302 /nfs/dbraw/zinc/58/63/02/532586302.db2.gz JCJDFHJYRQMJTI-LLVKDONJSA-N 1 2 384.395 2.486 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000284305093 532586310 /nfs/dbraw/zinc/58/63/10/532586310.db2.gz JCJDFHJYRQMJTI-LLVKDONJSA-N 1 2 384.395 2.486 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284337410 532587918 /nfs/dbraw/zinc/58/79/18/532587918.db2.gz QVYNVHGTGVQNNN-LLVKDONJSA-N 1 2 395.257 2.252 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284337410 532587922 /nfs/dbraw/zinc/58/79/22/532587922.db2.gz QVYNVHGTGVQNNN-LLVKDONJSA-N 1 2 395.257 2.252 20 0 GEADLO COC(=O)c1cn([C@@H]2CCCN(c3nc(C)[nH+]c(C)c3Br)C2)nn1 ZINC000596197214 532589117 /nfs/dbraw/zinc/58/91/17/532589117.db2.gz LPSKYTIMFRSIBM-LLVKDONJSA-N 1 2 395.261 2.076 20 0 GEADLO COC(=O)[C@H](CNc1nc(C)[nH+]c(C)c1Br)Oc1ccc(F)cc1 ZINC000596180953 532589259 /nfs/dbraw/zinc/58/92/59/532589259.db2.gz XEVZYBXANNEMTC-ZDUSSCGKSA-N 1 2 398.232 3.028 20 0 GEADLO Cc1ccc(CC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)cc1Br ZINC000473562844 532595735 /nfs/dbraw/zinc/59/57/35/532595735.db2.gz NWEZBZKWMXJUOY-UHFFFAOYSA-N 1 2 391.313 2.378 20 0 GEADLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(-c3nc(C)cs3)cc2)CC1 ZINC000655468984 532590297 /nfs/dbraw/zinc/59/02/97/532590297.db2.gz MBFOGLHVTUEGKH-UHFFFAOYSA-N 1 2 381.523 2.071 20 0 GEADLO COC[C@@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1CCCO1 ZINC000434265220 532590759 /nfs/dbraw/zinc/59/07/59/532590759.db2.gz UOWHXFXFOLUFEB-KGLIPLIRSA-N 1 2 397.273 2.090 20 0 GEADLO CO[C@@H]1CC[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000565700682 532573320 /nfs/dbraw/zinc/57/33/20/532573320.db2.gz JAPJGEWNWFCDFH-VXGBXAGGSA-N 1 2 399.289 2.370 20 0 GEADLO C[C@H]([NH2+]Cc1ncc(Br)s1)c1cccc(S(N)(=O)=O)c1 ZINC000434471763 532595244 /nfs/dbraw/zinc/59/52/44/532595244.db2.gz VNMBWFGTZHBDEE-QMMMGPOBSA-N 1 2 376.301 2.404 20 0 GEADLO COC(=O)c1cnc([C@@H]2CCC[N@H+](CC(=O)N(C)c3nccs3)C2)s1 ZINC000595914964 532576273 /nfs/dbraw/zinc/57/62/73/532576273.db2.gz QCHGGZORZKDTBQ-LLVKDONJSA-N 1 2 380.495 2.229 20 0 GEADLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](CC(=O)N(C)c3nccs3)C2)s1 ZINC000595914964 532576281 /nfs/dbraw/zinc/57/62/81/532576281.db2.gz QCHGGZORZKDTBQ-LLVKDONJSA-N 1 2 380.495 2.229 20 0 GEADLO NC(=O)c1ncc(Br)cc1NCc1[nH+]ccn1CC(F)(F)F ZINC000472500520 532576399 /nfs/dbraw/zinc/57/63/99/532576399.db2.gz OAUOGXCLXNPXJG-UHFFFAOYSA-N 1 2 378.152 2.314 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000632099780 532577390 /nfs/dbraw/zinc/57/73/90/532577390.db2.gz OBNRYYUUXZVPRR-NSHDSACASA-N 1 2 379.309 2.233 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000632099780 532577395 /nfs/dbraw/zinc/57/73/95/532577395.db2.gz OBNRYYUUXZVPRR-NSHDSACASA-N 1 2 379.309 2.233 20 0 GEADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCC(F)(F)C[C@@H]2C)c1C ZINC000528763206 532579824 /nfs/dbraw/zinc/57/98/24/532579824.db2.gz AJUOFQKWYLIQNI-NSHDSACASA-N 1 2 375.441 2.009 20 0 GEADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCC(F)(F)C[C@@H]2C)c1C ZINC000528763206 532579829 /nfs/dbraw/zinc/57/98/29/532579829.db2.gz AJUOFQKWYLIQNI-NSHDSACASA-N 1 2 375.441 2.009 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2nc3ccccc3s2)CC[N@@H+]1CCOC ZINC000565830395 532580011 /nfs/dbraw/zinc/58/00/11/532580011.db2.gz CUTUWDNFJPWLOG-CQSZACIVSA-N 1 2 383.539 2.418 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2nc3ccccc3s2)CC[N@H+]1CCOC ZINC000565830395 532580019 /nfs/dbraw/zinc/58/00/19/532580019.db2.gz CUTUWDNFJPWLOG-CQSZACIVSA-N 1 2 383.539 2.418 20 0 GEADLO CCn1cc(CC[NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 ZINC000472755554 532582069 /nfs/dbraw/zinc/58/20/69/532582069.db2.gz SVMXGKKQUHKQRN-UHFFFAOYSA-N 1 2 382.917 2.105 20 0 GEADLO COc1cc(Br)cc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000284736819 532615212 /nfs/dbraw/zinc/61/52/12/532615212.db2.gz IPGKVOPJHRKGHR-GJZGRUSLSA-N 1 2 384.274 2.395 20 0 GEADLO COc1cc(Br)cc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000284736819 532615221 /nfs/dbraw/zinc/61/52/21/532615221.db2.gz IPGKVOPJHRKGHR-GJZGRUSLSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)NCc2c[nH+]cn2C)c1 ZINC000297985440 532615363 /nfs/dbraw/zinc/61/53/63/532615363.db2.gz MXLNMEORQBYOLB-OAHLLOKOSA-N 1 2 397.273 2.066 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000297976992 532615798 /nfs/dbraw/zinc/61/57/98/532615798.db2.gz XTRMCLABBMNNNY-UHFFFAOYSA-N 1 2 389.308 2.266 20 0 GEADLO Nc1nc(NC[C@@H](CO)Cc2cccc(Br)c2)[nH+]c2ccccc12 ZINC000566538946 532616042 /nfs/dbraw/zinc/61/60/42/532616042.db2.gz FYOJFIVOQDYWSN-ZDUSSCGKSA-N 1 2 387.281 2.660 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)c1 ZINC000632501441 532616158 /nfs/dbraw/zinc/61/61/58/532616158.db2.gz MQHFSTJBDICXNP-JKSUJKDBSA-N 1 2 388.917 2.126 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)Cc2c(F)cccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000632501416 532616235 /nfs/dbraw/zinc/61/62/35/532616235.db2.gz BSLSKZAYEOQLBD-HZPDHXFCSA-N 1 2 390.908 2.398 20 0 GEADLO CC[N@@H+]1CCO[C@@H](CNS(=O)(=O)CCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000284770469 532618218 /nfs/dbraw/zinc/61/82/18/532618218.db2.gz PPYXJBCFHXNAMQ-GJZGRUSLSA-N 1 2 380.432 2.320 20 0 GEADLO CC[N@H+]1CCO[C@@H](CNS(=O)(=O)CCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000284770469 532618225 /nfs/dbraw/zinc/61/82/25/532618225.db2.gz PPYXJBCFHXNAMQ-GJZGRUSLSA-N 1 2 380.432 2.320 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2cc(O)ccc2Br)CC1 ZINC000376589346 532618511 /nfs/dbraw/zinc/61/85/11/532618511.db2.gz HGNVUHSMHAQJCP-UHFFFAOYSA-N 1 2 389.315 2.155 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@H+](Cc2cc(O)ccc2Br)CC1 ZINC000376589346 532618514 /nfs/dbraw/zinc/61/85/14/532618514.db2.gz HGNVUHSMHAQJCP-UHFFFAOYSA-N 1 2 389.315 2.155 20 0 GEADLO COc1cc(Br)c(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1OC ZINC000263259627 532621215 /nfs/dbraw/zinc/62/12/15/532621215.db2.gz QUABSHWIDJKYBB-SNVBAGLBSA-N 1 2 379.201 2.080 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)C1 ZINC000376135267 532597000 /nfs/dbraw/zinc/59/70/00/532597000.db2.gz QRQOBMSFXQUJPL-HFTRVMKXSA-N 1 2 379.298 2.100 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)C1 ZINC000376135267 532597004 /nfs/dbraw/zinc/59/70/04/532597004.db2.gz QRQOBMSFXQUJPL-HFTRVMKXSA-N 1 2 379.298 2.100 20 0 GEADLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632287011 532597281 /nfs/dbraw/zinc/59/72/81/532597281.db2.gz SFLBKPREHTWZJH-NSHDSACASA-N 1 2 389.905 2.079 20 0 GEADLO C[C@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632287011 532597287 /nfs/dbraw/zinc/59/72/87/532597287.db2.gz SFLBKPREHTWZJH-NSHDSACASA-N 1 2 389.905 2.079 20 0 GEADLO COc1ccc(Br)c(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000284506237 532598244 /nfs/dbraw/zinc/59/82/44/532598244.db2.gz DROCGMKXGXZYQM-CABCVRRESA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(Br)c(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000284506237 532598248 /nfs/dbraw/zinc/59/82/48/532598248.db2.gz DROCGMKXGXZYQM-CABCVRRESA-N 1 2 384.274 2.395 20 0 GEADLO [NH3+][C@H](C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cscn1 ZINC000566179645 532599320 /nfs/dbraw/zinc/59/93/20/532599320.db2.gz SODBXIDHCXNCIX-RISCZKNCSA-N 1 2 381.299 2.301 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)NCC1(CO)CCCC1 ZINC000473907140 532602192 /nfs/dbraw/zinc/60/21/92/532602192.db2.gz QPLIDHZFUGLXGO-UHFFFAOYSA-N 1 2 381.274 2.449 20 0 GEADLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2cc(=O)n(C)cn2)CC1 ZINC000656129253 532605870 /nfs/dbraw/zinc/60/58/70/532605870.db2.gz ZUGDYAPHGHIFRD-ZDUSSCGKSA-N 1 2 377.286 2.426 20 0 GEADLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ncc(Br)cc2F)CC1 ZINC000529522666 532605918 /nfs/dbraw/zinc/60/59/18/532605918.db2.gz XUEIZEAFQVNTPA-LBPRGKRZSA-N 1 2 387.297 2.016 20 0 GEADLO O=C1NC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Br)s3)CCN12 ZINC000529536874 532606285 /nfs/dbraw/zinc/60/62/85/532606285.db2.gz OJMOHDSLFRHCRJ-JTQLQIEISA-N 1 2 382.287 2.110 20 0 GEADLO O=C1NC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)CCN12 ZINC000529536874 532606295 /nfs/dbraw/zinc/60/62/95/532606295.db2.gz OJMOHDSLFRHCRJ-JTQLQIEISA-N 1 2 382.287 2.110 20 0 GEADLO O=C([C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2F)C1)N1CCOCC1 ZINC000529519794 532606967 /nfs/dbraw/zinc/60/69/67/532606967.db2.gz HCKMYHPIVBJCEB-GFCCVEGCSA-N 1 2 386.265 2.054 20 0 GEADLO O=C([C@@H]1CCC[N@H+](Cc2ncc(Br)cc2F)C1)N1CCOCC1 ZINC000529519794 532606969 /nfs/dbraw/zinc/60/69/69/532606969.db2.gz HCKMYHPIVBJCEB-GFCCVEGCSA-N 1 2 386.265 2.054 20 0 GEADLO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c(Cl)cc1F ZINC000632384252 532608058 /nfs/dbraw/zinc/60/80/58/532608058.db2.gz ARJKDDAIHLXLBK-ZDUSSCGKSA-N 1 2 376.881 2.273 20 0 GEADLO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262963242 532608875 /nfs/dbraw/zinc/60/88/75/532608875.db2.gz KYSJRYFKRMRQSX-GFCCVEGCSA-N 1 2 392.233 2.275 20 0 GEADLO CSC[C@H](C)NC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284657286 532608957 /nfs/dbraw/zinc/60/89/57/532608957.db2.gz KKROUWLAWDZBLE-FZMZJTMJSA-N 1 2 380.901 2.147 20 0 GEADLO O=C(NCCCc1c(Cl)cccc1Cl)C(=O)NCCCn1cc[nH+]c1 ZINC000656281297 532610057 /nfs/dbraw/zinc/61/00/57/532610057.db2.gz BASGZJUSJMZCLL-UHFFFAOYSA-N 1 2 383.279 2.445 20 0 GEADLO COCC[N@@H+](Cc1cnc2ccc(Br)cn12)C[C@@H](O)C(F)(F)F ZINC000656267728 532611369 /nfs/dbraw/zinc/61/13/69/532611369.db2.gz ZCJMDIIYLZRXMI-GFCCVEGCSA-N 1 2 396.207 2.468 20 0 GEADLO COCC[N@H+](Cc1cnc2ccc(Br)cn12)C[C@@H](O)C(F)(F)F ZINC000656267728 532611376 /nfs/dbraw/zinc/61/13/76/532611376.db2.gz ZCJMDIIYLZRXMI-GFCCVEGCSA-N 1 2 396.207 2.468 20 0 GEADLO COCCN(Cc1c[nH+]c2ccc(Br)cn12)C[C@@H](O)C(F)(F)F ZINC000656267728 532611380 /nfs/dbraw/zinc/61/13/80/532611380.db2.gz ZCJMDIIYLZRXMI-GFCCVEGCSA-N 1 2 396.207 2.468 20 0 GEADLO Cc1nc(N2CCN(C(=O)c3c(F)cncc3Br)CC2)cc[nH+]1 ZINC000632454061 532613114 /nfs/dbraw/zinc/61/31/14/532613114.db2.gz PZHLTSGTNBPYBC-UHFFFAOYSA-N 1 2 380.221 2.044 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000474341872 532613349 /nfs/dbraw/zinc/61/33/49/532613349.db2.gz MFIZVCLFRULPAZ-FZMZJTMJSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000474341872 532613354 /nfs/dbraw/zinc/61/33/54/532613354.db2.gz MFIZVCLFRULPAZ-FZMZJTMJSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H](CCS(C)(=O)=O)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000474344155 532613467 /nfs/dbraw/zinc/61/34/67/532613467.db2.gz GWZVGSYZGGFZQB-CHWSQXEVSA-N 1 2 388.559 2.320 20 0 GEADLO C[C@H](CCS(C)(=O)=O)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000474344155 532613470 /nfs/dbraw/zinc/61/34/70/532613470.db2.gz GWZVGSYZGGFZQB-CHWSQXEVSA-N 1 2 388.559 2.320 20 0 GEADLO O=C(NCCc1ccc(I)s1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263292662 532623045 /nfs/dbraw/zinc/62/30/45/532623045.db2.gz VXMBKUHYKPFGIO-QMMMGPOBSA-N 1 2 386.205 2.009 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)CSc2n[nH]c(=O)[nH]2)[C@H]1c1cccc(Cl)c1 ZINC000376670846 532625296 /nfs/dbraw/zinc/62/52/96/532625296.db2.gz HZWRQRXEMFQGFJ-BXUZGUMPSA-N 1 2 381.889 2.065 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)CSc2n[nH]c(=O)[nH]2)[C@H]1c1cccc(Cl)c1 ZINC000376670846 532625302 /nfs/dbraw/zinc/62/53/02/532625302.db2.gz HZWRQRXEMFQGFJ-BXUZGUMPSA-N 1 2 381.889 2.065 20 0 GEADLO O=C(NCCNc1ncc(Cl)cc1Cl)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000474738245 532626994 /nfs/dbraw/zinc/62/69/94/532626994.db2.gz PTFCRGGUDLPRCG-HNNXBMFYSA-N 1 2 387.311 2.417 20 0 GEADLO O=C(NCCNc1ncc(Cl)cc1Cl)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000474738245 532627001 /nfs/dbraw/zinc/62/70/01/532627001.db2.gz PTFCRGGUDLPRCG-HNNXBMFYSA-N 1 2 387.311 2.417 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000376741828 532627317 /nfs/dbraw/zinc/62/73/17/532627317.db2.gz JTPVLBHAUDMZPS-OAHLLOKOSA-N 1 2 385.873 2.206 20 0 GEADLO CCOc1cc(C[NH+]2CCC(NS(=O)(=O)CC)CC2)cc(Cl)c1O ZINC000298151784 532629462 /nfs/dbraw/zinc/62/94/62/532629462.db2.gz RRNRUNJQXXVDHQ-UHFFFAOYSA-N 1 2 376.906 2.348 20 0 GEADLO O=C(C[NH+]1CCC(NC(=O)[C@H]2CSCCS2)CC1)Nc1ccccc1 ZINC000298171380 532631232 /nfs/dbraw/zinc/63/12/32/532631232.db2.gz OMJNQYFVGPXGCK-MRXNPFEDSA-N 1 2 379.551 2.054 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1c(F)cccc1Br ZINC000531224183 532631447 /nfs/dbraw/zinc/63/14/47/532631447.db2.gz SKRDPBOUBFHUDI-UHFFFAOYSA-N 1 2 383.221 2.320 20 0 GEADLO C[C@@H](CNc1nc2c(cnn2C)c(N)[nH+]1)Oc1cccc(Br)c1 ZINC000436391106 532633535 /nfs/dbraw/zinc/63/35/35/532633535.db2.gz QHMPDSMDUUAXPO-VIFPVBQESA-N 1 2 377.246 2.587 20 0 GEADLO Cc1c(I)cccc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000531599765 532634838 /nfs/dbraw/zinc/63/48/38/532634838.db2.gz CMRRVWWFKLEAIZ-LLVKDONJSA-N 1 2 388.249 2.050 20 0 GEADLO Cc1c(I)cccc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000531599765 532634843 /nfs/dbraw/zinc/63/48/43/532634843.db2.gz CMRRVWWFKLEAIZ-LLVKDONJSA-N 1 2 388.249 2.050 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2csc(I)c2)[C@@H](C)CO1 ZINC000598000469 532636583 /nfs/dbraw/zinc/63/65/83/532636583.db2.gz VCHIEEYOGQNOHZ-UWVGGRQHSA-N 1 2 394.278 2.192 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2csc(I)c2)[C@@H](C)CO1 ZINC000598000469 532636589 /nfs/dbraw/zinc/63/65/89/532636589.db2.gz VCHIEEYOGQNOHZ-UWVGGRQHSA-N 1 2 394.278 2.192 20 0 GEADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436535612 532636874 /nfs/dbraw/zinc/63/68/74/532636874.db2.gz NUCCGFWMUMYBGE-CYBMUJFWSA-N 1 2 388.295 2.372 20 0 GEADLO CCS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@]2([NH+](C)C)CCCSC2)cc1 ZINC000377029531 532636903 /nfs/dbraw/zinc/63/69/03/532636903.db2.gz JAHYKULMESISTI-KBXCAEBGSA-N 1 2 384.567 2.485 20 0 GEADLO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436535612 532636877 /nfs/dbraw/zinc/63/68/77/532636877.db2.gz NUCCGFWMUMYBGE-CYBMUJFWSA-N 1 2 388.295 2.372 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCCn2cc(Br)cn2)C1 ZINC000377028749 532637300 /nfs/dbraw/zinc/63/73/00/532637300.db2.gz HOMSKHPWFKBNAU-ZDUSSCGKSA-N 1 2 395.305 2.358 20 0 GEADLO COc1cccc(S(=O)(=O)CC[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000263780416 532640500 /nfs/dbraw/zinc/64/05/00/532640500.db2.gz FNBKFEXDKXLJSZ-UHFFFAOYSA-N 1 2 381.523 2.138 20 0 GEADLO COc1cccc(S(=O)(=O)CC[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000263780416 532640510 /nfs/dbraw/zinc/64/05/10/532640510.db2.gz FNBKFEXDKXLJSZ-UHFFFAOYSA-N 1 2 381.523 2.138 20 0 GEADLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1 ZINC000531919127 532641000 /nfs/dbraw/zinc/64/10/00/532641000.db2.gz DOGPBSZPBJPKBQ-JKSUJKDBSA-N 1 2 395.297 2.391 20 0 GEADLO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cnc2ccsc2c1 ZINC000531911793 532641488 /nfs/dbraw/zinc/64/14/88/532641488.db2.gz LHGFAEUSRIPAJR-GDBMZVCRSA-N 1 2 381.523 2.218 20 0 GEADLO O=S(=O)(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cnc2ccsc2c1 ZINC000531911795 532641932 /nfs/dbraw/zinc/64/19/32/532641932.db2.gz LHGFAEUSRIPAJR-HOCLYGCPSA-N 1 2 381.523 2.218 20 0 GEADLO Cc1coc(-c2ccc(C)c(S(=O)(=O)NCC[NH+]3CCSCC3)c2)n1 ZINC000656901927 532642816 /nfs/dbraw/zinc/64/28/16/532642816.db2.gz OSYVKPYZRRVRKP-UHFFFAOYSA-N 1 2 381.523 2.286 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCc2nnc(N)cc2C1 ZINC000377557702 532660268 /nfs/dbraw/zinc/66/02/68/532660268.db2.gz ARTANLCJPQLKAX-SNVBAGLBSA-N 1 2 376.258 2.207 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCc2nnc(N)cc2C1 ZINC000377557702 532660271 /nfs/dbraw/zinc/66/02/71/532660271.db2.gz ARTANLCJPQLKAX-SNVBAGLBSA-N 1 2 376.258 2.207 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000264107408 532660823 /nfs/dbraw/zinc/66/08/23/532660823.db2.gz QAKBNQBJRUSXLK-GFCCVEGCSA-N 1 2 388.295 2.041 20 0 GEADLO C[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)S(C)(=O)=O ZINC000533158734 532661016 /nfs/dbraw/zinc/66/10/16/532661016.db2.gz OXLKZAKFDZSOJI-XJKSGUPXSA-N 1 2 387.933 2.209 20 0 GEADLO C[C@H](O)CNc1cc(N(C)C[C@@H](O)c2cccc(Br)c2)nc[nH+]1 ZINC000298565153 532661285 /nfs/dbraw/zinc/66/12/85/532661285.db2.gz JWVUMPUURZKOQO-SMDDNHRTSA-N 1 2 381.274 2.202 20 0 GEADLO C[C@H](O)CNc1cc(N(C)C[C@@H](O)c2cccc(Br)c2)[nH+]cn1 ZINC000298565153 532661292 /nfs/dbraw/zinc/66/12/92/532661292.db2.gz JWVUMPUURZKOQO-SMDDNHRTSA-N 1 2 381.274 2.202 20 0 GEADLO C[S@](=O)C1(CNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)CCC1 ZINC000437633212 532661399 /nfs/dbraw/zinc/66/13/99/532661399.db2.gz XAACOHNCFBMTGS-QHCPKHFHSA-N 1 2 399.314 2.197 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)c3cccc(Br)c3)CC2)CCCC1 ZINC000377581527 532662159 /nfs/dbraw/zinc/66/21/59/532662159.db2.gz KARSSFPJRLVYRR-UHFFFAOYSA-N 1 2 380.286 2.005 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)[C@H](C)C1 ZINC000285238872 532662698 /nfs/dbraw/zinc/66/26/98/532662698.db2.gz GLJDEJSDTJCAHX-SNVBAGLBSA-N 1 2 377.869 2.152 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)[C@H](C)C1 ZINC000285238872 532662703 /nfs/dbraw/zinc/66/27/03/532662703.db2.gz GLJDEJSDTJCAHX-SNVBAGLBSA-N 1 2 377.869 2.152 20 0 GEADLO C[C@H](Cc1cc(Br)ccc1F)NC(=O)NCC[NH+]1CCOCC1 ZINC000533177307 532663250 /nfs/dbraw/zinc/66/32/50/532663250.db2.gz GJWURABQQQMKSK-GFCCVEGCSA-N 1 2 388.281 2.151 20 0 GEADLO Cc1nc(NC[C@@H](C)c2nccs2)nc(NC[C@@H](C)c2nccs2)[nH+]1 ZINC000480362270 532663388 /nfs/dbraw/zinc/66/33/88/532663388.db2.gz YQPNNAVQCFPPFY-GHMZBOCLSA-N 1 2 375.527 2.368 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000298715579 532669280 /nfs/dbraw/zinc/66/92/80/532669280.db2.gz BZPDBEMPVKMHKO-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000298715579 532669285 /nfs/dbraw/zinc/66/92/85/532669285.db2.gz BZPDBEMPVKMHKO-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO C[C@@H](NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H](C)[NH+]1CCOCC1 ZINC000264288842 532669276 /nfs/dbraw/zinc/66/92/76/532669276.db2.gz QSWDJACMNYUKKM-VXGBXAGGSA-N 1 2 385.295 2.409 20 0 GEADLO Cc1ccc([C@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)[C@H](C)S(C)(=O)=O)cc1 ZINC000437834696 532664261 /nfs/dbraw/zinc/66/42/61/532664261.db2.gz BKWSZADCZCDDNY-QILLFSRXSA-N 1 2 384.567 2.023 20 0 GEADLO Cc1ccc([C@H](NC(=O)C[N@@H+](C)[C@H]2CCSC2)[C@H](C)S(C)(=O)=O)cc1 ZINC000437834696 532664266 /nfs/dbraw/zinc/66/42/66/532664266.db2.gz BKWSZADCZCDDNY-QILLFSRXSA-N 1 2 384.567 2.023 20 0 GEADLO COc1cc(Br)c(CNC(=O)NCc2[nH+]ccn2C)cc1OC ZINC000264162132 532664645 /nfs/dbraw/zinc/66/46/45/532664645.db2.gz LADWGHRNJOQHRD-UHFFFAOYSA-N 1 2 383.246 2.199 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000264180399 532665866 /nfs/dbraw/zinc/66/58/66/532665866.db2.gz NBRHTPFGUACZLZ-UHFFFAOYSA-N 1 2 398.330 2.272 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000599568885 532666294 /nfs/dbraw/zinc/66/62/94/532666294.db2.gz KWCICBLEQZDYJT-INIZCTEOSA-N 1 2 396.241 2.263 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000599568885 532666299 /nfs/dbraw/zinc/66/62/99/532666299.db2.gz KWCICBLEQZDYJT-INIZCTEOSA-N 1 2 396.241 2.263 20 0 GEADLO O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)c(F)cc1F ZINC000567861622 532666854 /nfs/dbraw/zinc/66/68/54/532666854.db2.gz JCLLHDISEFBPHR-JTQLQIEISA-N 1 2 391.184 2.003 20 0 GEADLO COC(=O)[C@@]1(NCCn2cc[nH+]c2)CCc2cc(Br)ccc2C1 ZINC000599593664 532667662 /nfs/dbraw/zinc/66/76/62/532667662.db2.gz GUNGKNARKCSZCW-QGZVFWFLSA-N 1 2 378.270 2.336 20 0 GEADLO Cc1cccc(I)c1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000532156616 532647147 /nfs/dbraw/zinc/64/71/47/532647147.db2.gz OUSGYVWMRHZSKM-LBPRGKRZSA-N 1 2 388.249 2.050 20 0 GEADLO Cc1cccc(I)c1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000532156616 532647152 /nfs/dbraw/zinc/64/71/52/532647152.db2.gz OUSGYVWMRHZSKM-LBPRGKRZSA-N 1 2 388.249 2.050 20 0 GEADLO C[NH+](C)[C@]1(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CCCSC1 ZINC000377188387 532647272 /nfs/dbraw/zinc/64/72/72/532647272.db2.gz KJYZGXGLESBAAV-MRXNPFEDSA-N 1 2 390.958 2.187 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000632871119 532648397 /nfs/dbraw/zinc/64/83/97/532648397.db2.gz QEESHBFDBIHBNI-GLZXHMCRSA-N 1 2 394.313 2.107 20 0 GEADLO C[C@@H](CCC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000437093601 532649914 /nfs/dbraw/zinc/64/99/14/532649914.db2.gz UVPLVKMNDYBOTD-VIFPVBQESA-N 1 2 385.374 2.168 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NC[C@@H](O)COc1ccc(F)cc1 ZINC000263934064 532650421 /nfs/dbraw/zinc/65/04/21/532650421.db2.gz BMGYMWJLOMRFBC-SNVBAGLBSA-N 1 2 396.220 2.117 20 0 GEADLO Cc1cc(Br)c(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)s1 ZINC000567345055 532650535 /nfs/dbraw/zinc/65/05/35/532650535.db2.gz FDXBGOLLVQREHC-UHFFFAOYSA-N 1 2 399.314 2.600 20 0 GEADLO Cc1cccc(OC[C@H](O)CNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000263942904 532650844 /nfs/dbraw/zinc/65/08/44/532650844.db2.gz GAHQJZRKTZJRCI-LLVKDONJSA-N 1 2 392.257 2.286 20 0 GEADLO O=C(Cc1ccc(Br)cc1O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000477405338 532651210 /nfs/dbraw/zinc/65/12/10/532651210.db2.gz NWDNOMUJYOESNZ-CQSZACIVSA-N 1 2 376.254 2.487 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)c(C)cc1Br ZINC000567384701 532652812 /nfs/dbraw/zinc/65/28/12/532652812.db2.gz PAHNCIOPLCMWLL-CQSZACIVSA-N 1 2 379.295 2.388 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000377346458 532653839 /nfs/dbraw/zinc/65/38/39/532653839.db2.gz PYZIQVDQPYZKRK-GFCCVEGCSA-N 1 2 378.274 2.261 20 0 GEADLO O=C(Cn1cc(Cl)cn1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000477634752 532654083 /nfs/dbraw/zinc/65/40/83/532654083.db2.gz GILFLVCBMWMRKB-UHFFFAOYSA-N 1 2 383.279 2.413 20 0 GEADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000567490300 532655106 /nfs/dbraw/zinc/65/51/06/532655106.db2.gz GHNQSHGRGFIPHH-ZBFHGGJFSA-N 1 2 384.567 2.341 20 0 GEADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000567490300 532655115 /nfs/dbraw/zinc/65/51/15/532655115.db2.gz GHNQSHGRGFIPHH-ZBFHGGJFSA-N 1 2 384.567 2.341 20 0 GEADLO COCCC[N@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000532712551 532655495 /nfs/dbraw/zinc/65/54/95/532655495.db2.gz ZFAGYFACNKUVIG-ZDUSSCGKSA-N 1 2 375.874 2.094 20 0 GEADLO COCCC[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000532712551 532655498 /nfs/dbraw/zinc/65/54/98/532655498.db2.gz ZFAGYFACNKUVIG-ZDUSSCGKSA-N 1 2 375.874 2.094 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@@H]1CCCC[C@H]1CO ZINC000477953026 532656290 /nfs/dbraw/zinc/65/62/90/532656290.db2.gz AADNLPGDNUIFAE-SMDDNHRTSA-N 1 2 381.274 2.447 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)CSCC(=O)Nc1cccc(Br)c1 ZINC000264021419 532656362 /nfs/dbraw/zinc/65/63/62/532656362.db2.gz JTCLZAIRIYXGMQ-UHFFFAOYSA-N 1 2 397.298 2.171 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000285217900 532658028 /nfs/dbraw/zinc/65/80/28/532658028.db2.gz FAWDXJKLQFEEQS-OCCSQVGLSA-N 1 2 376.881 2.104 20 0 GEADLO C[N@H+](CC(=O)Nc1nc(-c2cccs2)cs1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000298544517 532658478 /nfs/dbraw/zinc/65/84/78/532658478.db2.gz XWRYCDGTPFZFAL-KGLIPLIRSA-N 1 2 378.523 2.215 20 0 GEADLO C[N@@H+](CC(=O)Nc1nc(-c2cccs2)cs1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000298544517 532658481 /nfs/dbraw/zinc/65/84/81/532658481.db2.gz XWRYCDGTPFZFAL-KGLIPLIRSA-N 1 2 378.523 2.215 20 0 GEADLO COC(=O)C[C@@H](NC(=O)NCc1[nH+]ccn1C)c1cccc(Br)c1 ZINC000264083368 532659408 /nfs/dbraw/zinc/65/94/08/532659408.db2.gz DCBBXKDRYVSGQV-CYBMUJFWSA-N 1 2 395.257 2.286 20 0 GEADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000285463732 532683730 /nfs/dbraw/zinc/68/37/30/532683730.db2.gz NDZQZZNTDQQJNK-LLVKDONJSA-N 1 2 391.896 2.067 20 0 GEADLO Cn1cc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)c(C(F)(F)F)n1 ZINC000638177514 532683896 /nfs/dbraw/zinc/68/38/96/532683896.db2.gz AXVVVZBNOKTQAF-UHFFFAOYSA-N 1 2 396.822 2.372 20 0 GEADLO Cn1cc(C[N@@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)c(C(F)(F)F)n1 ZINC000638177514 532683900 /nfs/dbraw/zinc/68/39/00/532683900.db2.gz AXVVVZBNOKTQAF-UHFFFAOYSA-N 1 2 396.822 2.372 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)s2)[C@H]1c1ccc(Cl)cc1 ZINC000535660181 532683926 /nfs/dbraw/zinc/68/39/26/532683926.db2.gz WKMLWAKGAIRXKV-IUODEOHRSA-N 1 2 399.925 2.224 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)s2)[C@H]1c1ccc(Cl)cc1 ZINC000535660181 532683931 /nfs/dbraw/zinc/68/39/31/532683931.db2.gz WKMLWAKGAIRXKV-IUODEOHRSA-N 1 2 399.925 2.224 20 0 GEADLO CC[N@H+](C)CCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000264936576 532684311 /nfs/dbraw/zinc/68/43/11/532684311.db2.gz UMPMFGRCAPPKKN-UHFFFAOYSA-N 1 2 381.523 2.159 20 0 GEADLO CC[N@@H+](C)CCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000264936576 532684323 /nfs/dbraw/zinc/68/43/23/532684323.db2.gz UMPMFGRCAPPKKN-UHFFFAOYSA-N 1 2 381.523 2.159 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)s2)[C@H]1c1ccc(Cl)cc1 ZINC000535660182 532684518 /nfs/dbraw/zinc/68/45/18/532684518.db2.gz WKMLWAKGAIRXKV-SWLSCSKDSA-N 1 2 399.925 2.224 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)s2)[C@H]1c1ccc(Cl)cc1 ZINC000535660182 532684524 /nfs/dbraw/zinc/68/45/24/532684524.db2.gz WKMLWAKGAIRXKV-SWLSCSKDSA-N 1 2 399.925 2.224 20 0 GEADLO CC[NH+](CC)Cc1ccc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)cc1 ZINC000298934717 532686039 /nfs/dbraw/zinc/68/60/39/532686039.db2.gz NVLDJMIOGHELPL-UHFFFAOYSA-N 1 2 383.499 2.004 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000377761286 532670063 /nfs/dbraw/zinc/67/00/63/532670063.db2.gz OTBGQWQXLYXLMV-GFCCVEGCSA-N 1 2 385.873 2.155 20 0 GEADLO NC(=O)C1([NH+]2CCN(Cc3nc(C(F)(F)F)cs3)CC2)CCCCC1 ZINC000378245783 532686601 /nfs/dbraw/zinc/68/66/01/532686601.db2.gz PCJLBLOZETWIBA-UHFFFAOYSA-N 1 2 376.448 2.468 20 0 GEADLO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377915103 532672581 /nfs/dbraw/zinc/67/25/81/532672581.db2.gz LIAVNNVJJQUKIZ-LLVKDONJSA-N 1 2 377.242 2.093 20 0 GEADLO Cc1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377915103 532672590 /nfs/dbraw/zinc/67/25/90/532672590.db2.gz LIAVNNVJJQUKIZ-LLVKDONJSA-N 1 2 377.242 2.093 20 0 GEADLO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl)C(=O)OC ZINC000483237400 532674010 /nfs/dbraw/zinc/67/40/10/532674010.db2.gz QIRNUGZWEOLOPK-NKFCBESUSA-N 1 2 391.295 2.320 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cc(Cl)sc1Cl)C[NH+]1CCN(C)CC1 ZINC000298812993 532675583 /nfs/dbraw/zinc/67/55/83/532675583.db2.gz LODQPUFFEZVJHM-SNVBAGLBSA-N 1 2 386.370 2.217 20 0 GEADLO O=S(=O)(NCC(F)(F)F)NC1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000438896362 532678138 /nfs/dbraw/zinc/67/81/38/532678138.db2.gz SGPVZNFRHSIRGN-UHFFFAOYSA-N 1 2 394.444 2.251 20 0 GEADLO CC1(C)C(=O)N[C@H]1C1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000568468183 532678245 /nfs/dbraw/zinc/67/82/45/532678245.db2.gz BZXCFICPYOAFBZ-CABCVRRESA-N 1 2 394.313 2.212 20 0 GEADLO O=S(=O)(c1ccc(C[N@H+](CCO)CCOCC(F)(F)F)cc1)C(F)F ZINC000264845951 532680061 /nfs/dbraw/zinc/68/00/61/532680061.db2.gz KVOYFGDRCIVULL-UHFFFAOYSA-N 1 2 391.358 2.056 20 0 GEADLO O=S(=O)(c1ccc(C[N@@H+](CCO)CCOCC(F)(F)F)cc1)C(F)F ZINC000264845951 532680069 /nfs/dbraw/zinc/68/00/69/532680069.db2.gz KVOYFGDRCIVULL-UHFFFAOYSA-N 1 2 391.358 2.056 20 0 GEADLO COCCCOC1CC[NH+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000638102948 532680620 /nfs/dbraw/zinc/68/06/20/532680620.db2.gz YAUWZVZXWGHDMA-UHFFFAOYSA-N 1 2 376.906 2.005 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000298875410 532681105 /nfs/dbraw/zinc/68/11/05/532681105.db2.gz XNDZSBICFXATNE-UHFFFAOYSA-N 1 2 381.479 2.008 20 0 GEADLO NS(=O)(=O)c1cc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)ccc1Cl ZINC000638134141 532681956 /nfs/dbraw/zinc/68/19/56/532681956.db2.gz UGMLTXWIZRPZQF-ZDUSSCGKSA-N 1 2 386.823 2.123 20 0 GEADLO C[N@H+](Cc1cn(C[C@H]2CCOC2)nn1)[C@H](CO)c1cccc(Br)c1 ZINC000638140598 532682153 /nfs/dbraw/zinc/68/21/53/532682153.db2.gz NQBLTJOXQFIEPO-CXAGYDPISA-N 1 2 395.301 2.243 20 0 GEADLO C[N@@H+](Cc1cn(C[C@H]2CCOC2)nn1)[C@H](CO)c1cccc(Br)c1 ZINC000638140598 532682159 /nfs/dbraw/zinc/68/21/59/532682159.db2.gz NQBLTJOXQFIEPO-CXAGYDPISA-N 1 2 395.301 2.243 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@H+](C[C@@H](O)c1ccc(Br)cc1)C1CC1 ZINC000264901398 532682335 /nfs/dbraw/zinc/68/23/35/532682335.db2.gz BTPGBYHRVNVQAE-XHDPSFHLSA-N 1 2 376.316 2.380 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C[C@@H](O)c1ccc(Br)cc1)C1CC1 ZINC000264901398 532682340 /nfs/dbraw/zinc/68/23/40/532682340.db2.gz BTPGBYHRVNVQAE-XHDPSFHLSA-N 1 2 376.316 2.380 20 0 GEADLO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1nnc2n1CCC2 ZINC000568621453 532683164 /nfs/dbraw/zinc/68/31/64/532683164.db2.gz OIVKYEWEEYLQQD-LLVKDONJSA-N 1 2 399.314 2.111 20 0 GEADLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000639204305 532691321 /nfs/dbraw/zinc/69/13/21/532691321.db2.gz QPXKRZHRXOSOKA-LLVKDONJSA-N 1 2 387.864 2.430 20 0 GEADLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000639204305 532691326 /nfs/dbraw/zinc/69/13/26/532691326.db2.gz QPXKRZHRXOSOKA-LLVKDONJSA-N 1 2 387.864 2.430 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000536573501 532693098 /nfs/dbraw/zinc/69/30/98/532693098.db2.gz VPSRBPYHAHPEPN-CQSZACIVSA-N 1 2 380.432 2.480 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000536573501 532693104 /nfs/dbraw/zinc/69/31/04/532693104.db2.gz VPSRBPYHAHPEPN-CQSZACIVSA-N 1 2 380.432 2.480 20 0 GEADLO CCOC(=O)C(C)(C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439445874 532694242 /nfs/dbraw/zinc/69/42/42/532694242.db2.gz YPBZIGMTNAFCLO-LBPRGKRZSA-N 1 2 378.238 2.259 20 0 GEADLO CSC[C@@H]1CCC[N@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000569305236 532695166 /nfs/dbraw/zinc/69/51/66/532695166.db2.gz AENKHMJRLVOYID-NVXWUHKLSA-N 1 2 388.599 2.020 20 0 GEADLO CSC[C@@H]1CCC[N@@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000569305236 532695169 /nfs/dbraw/zinc/69/51/69/532695169.db2.gz AENKHMJRLVOYID-NVXWUHKLSA-N 1 2 388.599 2.020 20 0 GEADLO C[C@@H](Cc1ccsc1)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000536602797 532695508 /nfs/dbraw/zinc/69/55/08/532695508.db2.gz UHDYEDZPSQIMHW-AWEZNQCLSA-N 1 2 380.535 2.444 20 0 GEADLO CCOC(=O)c1nc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cs1 ZINC000537062221 532702963 /nfs/dbraw/zinc/70/29/63/532702963.db2.gz LYLXQYCFVKTDQY-NSHDSACASA-N 1 2 383.495 2.079 20 0 GEADLO Cc1cc(Br)oc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000299145496 532699421 /nfs/dbraw/zinc/69/94/21/532699421.db2.gz PNSFPBRQUDQPLZ-UHFFFAOYSA-N 1 2 398.301 2.121 20 0 GEADLO Cc1cc(Br)oc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000299145496 532699427 /nfs/dbraw/zinc/69/94/27/532699427.db2.gz PNSFPBRQUDQPLZ-UHFFFAOYSA-N 1 2 398.301 2.121 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1cc(Br)ccc1F ZINC000285694586 532699425 /nfs/dbraw/zinc/69/94/25/532699425.db2.gz HEOOYQJXUMXDIZ-IUODEOHRSA-N 1 2 385.277 2.452 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cnc(Br)c(Cl)c1 ZINC000285704111 532699918 /nfs/dbraw/zinc/69/99/18/532699918.db2.gz HPCALFBYJLCNHI-JQWIXIFHSA-N 1 2 388.693 2.433 20 0 GEADLO CCS(=O)(=O)CC[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000299185145 532700300 /nfs/dbraw/zinc/70/03/00/532700300.db2.gz BPRRFGSGNWSSEZ-UHFFFAOYSA-N 1 2 381.416 2.303 20 0 GEADLO Cc1cccc(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1C ZINC000439787074 532701384 /nfs/dbraw/zinc/70/13/84/532701384.db2.gz YIUNXUWGMVOYTH-UHFFFAOYSA-N 1 2 379.448 2.254 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2n[nH]cc2Br)CC1 ZINC000606515805 532701473 /nfs/dbraw/zinc/70/14/73/532701473.db2.gz WPTKPSHRUPXXGE-LBPRGKRZSA-N 1 2 393.289 2.156 20 0 GEADLO COc1ccc(Br)cc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000382657105 532702125 /nfs/dbraw/zinc/70/21/25/532702125.db2.gz SDHPQADTVSGPNM-CQSZACIVSA-N 1 2 383.286 2.395 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000666694150 532702395 /nfs/dbraw/zinc/70/23/95/532702395.db2.gz JKZXCMSUSZMJGU-AWEZNQCLSA-N 1 2 391.269 2.456 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000666694150 532702398 /nfs/dbraw/zinc/70/23/98/532702398.db2.gz JKZXCMSUSZMJGU-AWEZNQCLSA-N 1 2 391.269 2.456 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000569664553 532702616 /nfs/dbraw/zinc/70/26/16/532702616.db2.gz FHWVAAQFSDNJJI-BFVZDQMLSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000569664553 532702624 /nfs/dbraw/zinc/70/26/24/532702624.db2.gz FHWVAAQFSDNJJI-BFVZDQMLSA-N 1 2 380.794 2.361 20 0 GEADLO CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H](C)CS(=O)(=O)CC ZINC000265057741 532687281 /nfs/dbraw/zinc/68/72/81/532687281.db2.gz LDHZEMJBSDBQBM-HIFRSBDPSA-N 1 2 375.560 2.206 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NCCS(=O)(=O)c1ccccc1)c1ccsc1 ZINC000298951495 532687406 /nfs/dbraw/zinc/68/74/06/532687406.db2.gz CDCHJTRLXKWKOB-MRXNPFEDSA-N 1 2 381.523 2.124 20 0 GEADLO O=S(=O)(NCC(F)(F)F)NC1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000439290087 532687963 /nfs/dbraw/zinc/68/79/63/532687963.db2.gz SUIIIQMFUAFXRB-UHFFFAOYSA-N 1 2 385.374 2.170 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000663992089 532689135 /nfs/dbraw/zinc/68/91/35/532689135.db2.gz VSCGDMAZHIQLCT-IUODEOHRSA-N 1 2 390.311 2.389 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000663992089 532689137 /nfs/dbraw/zinc/68/91/37/532689137.db2.gz VSCGDMAZHIQLCT-IUODEOHRSA-N 1 2 390.311 2.389 20 0 GEADLO CC[C@]1(CO)CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639088901 532689827 /nfs/dbraw/zinc/68/98/27/532689827.db2.gz HUWRRYFMBUDAJC-HNNXBMFYSA-N 1 2 391.331 2.081 20 0 GEADLO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639088901 532689830 /nfs/dbraw/zinc/68/98/30/532689830.db2.gz HUWRRYFMBUDAJC-HNNXBMFYSA-N 1 2 391.331 2.081 20 0 GEADLO CC[N@H+](Cc1ccccc1Br)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000439319730 532690154 /nfs/dbraw/zinc/69/01/54/532690154.db2.gz XJMLWWXKPNAUKG-CQSZACIVSA-N 1 2 396.329 2.350 20 0 GEADLO CC[N@@H+](Cc1ccccc1Br)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000439319730 532690159 /nfs/dbraw/zinc/69/01/59/532690159.db2.gz XJMLWWXKPNAUKG-CQSZACIVSA-N 1 2 396.329 2.350 20 0 GEADLO C[C@@H]1CC[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CS1(=O)=O ZINC000664368178 532690408 /nfs/dbraw/zinc/69/04/08/532690408.db2.gz FZGRBBORGSULNP-CHWSQXEVSA-N 1 2 386.543 2.216 20 0 GEADLO Cc1nc(C)c(NC(=O)C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)s1 ZINC000439307134 532690640 /nfs/dbraw/zinc/69/06/40/532690640.db2.gz VBCNJLDSNWSCEM-UHFFFAOYSA-N 1 2 375.376 2.116 20 0 GEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000536129933 532690683 /nfs/dbraw/zinc/69/06/83/532690683.db2.gz SLBAQSIJZPUSKF-NWDGAFQWSA-N 1 2 390.347 2.228 20 0 GEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000536129933 532690693 /nfs/dbraw/zinc/69/06/93/532690693.db2.gz SLBAQSIJZPUSKF-NWDGAFQWSA-N 1 2 390.347 2.228 20 0 GEADLO CC[N@H+](Cc1ccccc1Br)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000439319728 532690807 /nfs/dbraw/zinc/69/08/07/532690807.db2.gz XJMLWWXKPNAUKG-AWEZNQCLSA-N 1 2 396.329 2.350 20 0 GEADLO CC[N@@H+](Cc1ccccc1Br)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000439319728 532690814 /nfs/dbraw/zinc/69/08/14/532690814.db2.gz XJMLWWXKPNAUKG-AWEZNQCLSA-N 1 2 396.329 2.350 20 0 GEADLO COCC[NH+]1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1 ZINC000266121893 532703818 /nfs/dbraw/zinc/70/38/18/532703818.db2.gz AEHWPEASCKAPSR-UHFFFAOYSA-N 1 2 383.279 2.308 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cncc(C(F)(F)F)c1 ZINC000569732594 532704838 /nfs/dbraw/zinc/70/48/38/532704838.db2.gz MSZVLRHDWHVOHE-OAHLLOKOSA-N 1 2 375.416 2.038 20 0 GEADLO COC[C@]1(C(N)=O)CCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000643825926 532707003 /nfs/dbraw/zinc/70/70/03/532707003.db2.gz APUCCOVYNVDONZ-DIFFPNOSSA-N 1 2 388.295 2.137 20 0 GEADLO COC[C@]1(C(N)=O)CCC[N@H+]1CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000643825926 532707012 /nfs/dbraw/zinc/70/70/12/532707012.db2.gz APUCCOVYNVDONZ-DIFFPNOSSA-N 1 2 388.295 2.137 20 0 GEADLO Cc1cnc([C@H](C)NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000573758404 532712222 /nfs/dbraw/zinc/71/22/22/532712222.db2.gz BAJRPJBDOYSGBM-ZDUSSCGKSA-N 1 2 378.523 2.035 20 0 GEADLO CN(Cc1cccc(Br)c1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494196093 532714194 /nfs/dbraw/zinc/71/41/94/532714194.db2.gz UKHWSPAHFZYWEW-INIZCTEOSA-N 1 2 382.302 2.454 20 0 GEADLO CN(Cc1cccc(Br)c1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494196093 532714197 /nfs/dbraw/zinc/71/41/97/532714197.db2.gz UKHWSPAHFZYWEW-INIZCTEOSA-N 1 2 382.302 2.454 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCc2ccc(Br)cc2C1 ZINC000494215319 532714300 /nfs/dbraw/zinc/71/43/00/532714300.db2.gz HMPXWJMQNABTKG-KRWDZBQOSA-N 1 2 394.313 2.380 20 0 GEADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCc2ccc(Br)cc2C1 ZINC000494215319 532714302 /nfs/dbraw/zinc/71/43/02/532714302.db2.gz HMPXWJMQNABTKG-KRWDZBQOSA-N 1 2 394.313 2.380 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494291200 532715212 /nfs/dbraw/zinc/71/52/12/532715212.db2.gz UDSOWXJSQIEWDE-UHFFFAOYSA-N 1 2 387.303 2.284 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494291200 532715219 /nfs/dbraw/zinc/71/52/19/532715219.db2.gz UDSOWXJSQIEWDE-UHFFFAOYSA-N 1 2 387.303 2.284 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670495134 532716967 /nfs/dbraw/zinc/71/69/67/532716967.db2.gz YHUKYHOSCBNXHY-UHFFFAOYSA-N 1 2 383.279 2.397 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)NCCc1ccc(Cl)cc1Cl)CC2 ZINC000670496471 532717808 /nfs/dbraw/zinc/71/78/08/532717808.db2.gz QDJWRSLELAVPHV-UHFFFAOYSA-N 1 2 381.263 2.199 20 0 GEADLO O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000299489884 532722057 /nfs/dbraw/zinc/72/20/57/532722057.db2.gz FSEHFKSFJGDZDP-GFCCVEGCSA-N 1 2 385.898 2.385 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000646111576 532723000 /nfs/dbraw/zinc/72/30/00/532723000.db2.gz QEQMUZIFUCEKIS-AWEZNQCLSA-N 1 2 381.757 2.418 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000646111576 532723007 /nfs/dbraw/zinc/72/30/07/532723007.db2.gz QEQMUZIFUCEKIS-AWEZNQCLSA-N 1 2 381.757 2.418 20 0 GEADLO CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC000299535557 532724700 /nfs/dbraw/zinc/72/47/00/532724700.db2.gz UFECPMQNUAVCIC-UHFFFAOYSA-N 1 2 382.873 2.136 20 0 GEADLO O=C(NCc1sccc1Br)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000286074201 532727323 /nfs/dbraw/zinc/72/73/23/532727323.db2.gz YLMCJTJSHNYJKJ-SNVBAGLBSA-N 1 2 397.298 2.256 20 0 GEADLO Cc1nnc(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000613153544 532727855 /nfs/dbraw/zinc/72/78/55/532727855.db2.gz DIOZYCZKXQOKLM-WMLDXEAASA-N 1 2 380.901 2.231 20 0 GEADLO Cc1nnc(CC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000613153544 532727860 /nfs/dbraw/zinc/72/78/60/532727860.db2.gz DIOZYCZKXQOKLM-WMLDXEAASA-N 1 2 380.901 2.231 20 0 GEADLO C[C@H]1CCC[C@@H]1CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000499957273 532729067 /nfs/dbraw/zinc/72/90/67/532729067.db2.gz XCBYNBXPUHYBDK-NWDGAFQWSA-N 1 2 393.285 2.265 20 0 GEADLO O=C(Nc1cc(Cl)ccc1Cl)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673784292 532731127 /nfs/dbraw/zinc/73/11/27/532731127.db2.gz IOZUOHAOXHIYPB-ZDUSSCGKSA-N 1 2 386.279 2.255 20 0 GEADLO O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785173 532731408 /nfs/dbraw/zinc/73/14/08/532731408.db2.gz ORUCAPBVWWRYKR-ZDUSSCGKSA-N 1 2 386.279 2.255 20 0 GEADLO Cc1cc(Br)cc(C)c1CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000500042417 532731887 /nfs/dbraw/zinc/73/18/87/532731887.db2.gz WMBNEMQSLXYELY-UHFFFAOYSA-N 1 2 384.318 2.139 20 0 GEADLO Cc1cc(Br)cc(C)c1CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000500042417 532731894 /nfs/dbraw/zinc/73/18/94/532731894.db2.gz WMBNEMQSLXYELY-UHFFFAOYSA-N 1 2 384.318 2.139 20 0 GEADLO C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C[C@H](C)S1 ZINC000577080533 532731965 /nfs/dbraw/zinc/73/19/65/532731965.db2.gz KVLHOIAQIBJCEG-DVOMOZLQSA-N 1 2 383.945 2.411 20 0 GEADLO Cc1oc(S(N)(=O)=O)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000539518289 532732109 /nfs/dbraw/zinc/73/21/09/532732109.db2.gz DCKKIWLNDYXLNV-UHFFFAOYSA-N 1 2 380.813 2.327 20 0 GEADLO CN(C)c1nc(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cs1 ZINC000673853941 532732374 /nfs/dbraw/zinc/73/23/74/532732374.db2.gz MFIUVPDMQUCSDD-UHFFFAOYSA-N 1 2 380.543 2.083 20 0 GEADLO CN(C)c1nc(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cs1 ZINC000673853941 532732379 /nfs/dbraw/zinc/73/23/79/532732379.db2.gz MFIUVPDMQUCSDD-UHFFFAOYSA-N 1 2 380.543 2.083 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000285923735 532719037 /nfs/dbraw/zinc/71/90/37/532719037.db2.gz TUOSXRLTCQOWFG-GXTWGEPZSA-N 1 2 385.277 2.452 20 0 GEADLO CC(C)CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410899478 532743497 /nfs/dbraw/zinc/74/34/97/532743497.db2.gz NSBHPBMYLHPVIA-UHFFFAOYSA-N 1 2 396.329 2.208 20 0 GEADLO CC(=O)NCC[N@H+](CC(=O)N1CCCC1)Cc1ccc(Br)s1 ZINC000503246218 532744703 /nfs/dbraw/zinc/74/47/03/532744703.db2.gz SGSHHYVFZOXGDS-UHFFFAOYSA-N 1 2 388.331 2.071 20 0 GEADLO CC(=O)NCC[N@@H+](CC(=O)N1CCCC1)Cc1ccc(Br)s1 ZINC000503246218 532744708 /nfs/dbraw/zinc/74/47/08/532744708.db2.gz SGSHHYVFZOXGDS-UHFFFAOYSA-N 1 2 388.331 2.071 20 0 GEADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCS[C@H](C)CC2)CC1 ZINC000410946726 532744923 /nfs/dbraw/zinc/74/49/23/532744923.db2.gz PJMDQGYAPRTGHX-CABCVRRESA-N 1 2 381.567 2.307 20 0 GEADLO O=C(CNc1cccc(Cl)c1)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615099349 532745713 /nfs/dbraw/zinc/74/57/13/532745713.db2.gz ZHXVKGXRTGSFOX-KRWDZBQOSA-N 1 2 383.945 2.418 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000267609762 532747385 /nfs/dbraw/zinc/74/73/85/532747385.db2.gz ROYSPONHCPEAOM-UHFFFAOYSA-N 1 2 384.889 2.378 20 0 GEADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1occc1Br ZINC000267597239 532747478 /nfs/dbraw/zinc/74/74/78/532747478.db2.gz WFCQKQYYYDOESI-ZDUSSCGKSA-N 1 2 393.285 2.378 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1Br ZINC000540068273 532734281 /nfs/dbraw/zinc/73/42/81/532734281.db2.gz GOGZWBUAUIHKOU-NSHDSACASA-N 1 2 379.295 2.492 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1Br ZINC000540068273 532734287 /nfs/dbraw/zinc/73/42/87/532734287.db2.gz GOGZWBUAUIHKOU-NSHDSACASA-N 1 2 379.295 2.492 20 0 GEADLO Nc1nc(NC[C@H](CO)Cc2ccccc2Br)[nH+]c2ccccc12 ZINC000577131150 532734740 /nfs/dbraw/zinc/73/47/40/532734740.db2.gz FAQTZIZRLGECAK-GFCCVEGCSA-N 1 2 387.281 2.660 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1)N1CCOCC1 ZINC000501114822 532736586 /nfs/dbraw/zinc/73/65/86/532736586.db2.gz XCGQEPHPNGTSOP-CQSZACIVSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1)N1CCOCC1 ZINC000501114822 532736591 /nfs/dbraw/zinc/73/65/91/532736591.db2.gz XCGQEPHPNGTSOP-CQSZACIVSA-N 1 2 376.881 2.106 20 0 GEADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)NCC(F)(F)F)c(C)c1 ZINC000443020656 532740538 /nfs/dbraw/zinc/74/05/38/532740538.db2.gz GZPNQVGGDOAKIV-CQSZACIVSA-N 1 2 376.404 2.228 20 0 GEADLO CO[C@@H](CCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C(F)(F)F ZINC000443209351 532741746 /nfs/dbraw/zinc/74/17/46/532741746.db2.gz FMASFJKEVNUYSZ-AWEZNQCLSA-N 1 2 377.388 2.177 20 0 GEADLO CC(C)(O)C[NH+]1CCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1 ZINC000301150738 532742022 /nfs/dbraw/zinc/74/20/22/532742022.db2.gz MUFFXTSFTVWPQT-UHFFFAOYSA-N 1 2 384.395 2.012 20 0 GEADLO O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268075467 532754498 /nfs/dbraw/zinc/75/44/98/532754498.db2.gz SVTNAZRLKHEVRB-LLVKDONJSA-N 1 2 383.857 2.403 20 0 GEADLO CCNC(=O)N1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC1 ZINC000541534889 532754527 /nfs/dbraw/zinc/75/45/27/532754527.db2.gz ZYRUXSZKZHMTIM-UHFFFAOYSA-N 1 2 380.290 2.252 20 0 GEADLO CCC[N@H+](C)[C@@H](CNC(=O)CSc1n[nH]c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000286556270 532754725 /nfs/dbraw/zinc/75/47/25/532754725.db2.gz ZMGWIOKOIRJIOG-ZDUSSCGKSA-N 1 2 383.905 2.043 20 0 GEADLO CCC[N@@H+](C)[C@@H](CNC(=O)CSc1n[nH]c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000286556270 532754727 /nfs/dbraw/zinc/75/47/27/532754727.db2.gz ZMGWIOKOIRJIOG-ZDUSSCGKSA-N 1 2 383.905 2.043 20 0 GEADLO Cc1cc(Br)cn2c(C[N@H+](C)C[C@@H]3CCS(=O)(=O)C3)cnc12 ZINC000541534399 532755267 /nfs/dbraw/zinc/75/52/67/532755267.db2.gz PDFFHLBQTXVLGP-LBPRGKRZSA-N 1 2 386.315 2.272 20 0 GEADLO Cc1cc(Br)cn2c(C[N@@H+](C)C[C@@H]3CCS(=O)(=O)C3)cnc12 ZINC000541534399 532755273 /nfs/dbraw/zinc/75/52/73/532755273.db2.gz PDFFHLBQTXVLGP-LBPRGKRZSA-N 1 2 386.315 2.272 20 0 GEADLO Cc1cc(Br)cn2c(CN(C)C[C@@H]3CCS(=O)(=O)C3)c[nH+]c12 ZINC000541534399 532755276 /nfs/dbraw/zinc/75/52/76/532755276.db2.gz PDFFHLBQTXVLGP-LBPRGKRZSA-N 1 2 386.315 2.272 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000507142846 532755945 /nfs/dbraw/zinc/75/59/45/532755945.db2.gz JWJMKBADOYMWII-KRWDZBQOSA-N 1 2 382.917 2.429 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000507142846 532755951 /nfs/dbraw/zinc/75/59/51/532755951.db2.gz JWJMKBADOYMWII-KRWDZBQOSA-N 1 2 382.917 2.429 20 0 GEADLO Nc1c(NCc2cc3c(c(Br)c2)OCO3)[nH+]cnc1-n1cccn1 ZINC000301750692 532758869 /nfs/dbraw/zinc/75/88/69/532758869.db2.gz ARJFOCNJPYGQBA-UHFFFAOYSA-N 1 2 389.213 2.348 20 0 GEADLO CCS[C@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000301728858 532759309 /nfs/dbraw/zinc/75/93/09/532759309.db2.gz RJJSAVDWJCTNMW-HOTGVXAUSA-N 1 2 384.571 2.104 20 0 GEADLO CCOc1ccncc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000451040457 532760690 /nfs/dbraw/zinc/76/06/90/532760690.db2.gz KFFBMKNYBYRJRV-ZDUSSCGKSA-N 1 2 381.523 2.267 20 0 GEADLO CCOc1ccncc1S(=O)(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000451040457 532760696 /nfs/dbraw/zinc/76/06/96/532760696.db2.gz KFFBMKNYBYRJRV-ZDUSSCGKSA-N 1 2 381.523 2.267 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cccc2c(Cl)ccnc21 ZINC000451214443 532762333 /nfs/dbraw/zinc/76/23/33/532762333.db2.gz HLOMNBWKTNQFME-ZDUSSCGKSA-N 1 2 381.885 2.030 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cccc2c(Cl)ccnc21 ZINC000451214443 532762334 /nfs/dbraw/zinc/76/23/34/532762334.db2.gz HLOMNBWKTNQFME-ZDUSSCGKSA-N 1 2 381.885 2.030 20 0 GEADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCNS(=O)(=O)c1cccs1 ZINC000301933994 532762674 /nfs/dbraw/zinc/76/26/74/532762674.db2.gz QCJJEXAULRZYEM-UHFFFAOYSA-N 1 2 380.499 2.033 20 0 GEADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000620477047 532762981 /nfs/dbraw/zinc/76/29/81/532762981.db2.gz MGUHODVRDXWLPV-NSHDSACASA-N 1 2 376.463 2.444 20 0 GEADLO O=c1[nH]nc(C2CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)[nH]1 ZINC000580492388 532748297 /nfs/dbraw/zinc/74/82/97/532748297.db2.gz JXDAQVXFRQKGPJ-NSHDSACASA-N 1 2 387.267 2.436 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000443735758 532749061 /nfs/dbraw/zinc/74/90/61/532749061.db2.gz UWNFEVDWYMJWKX-UHFFFAOYSA-N 1 2 399.195 2.289 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3cnc4ccsc4c3)CC2)S1 ZINC000267630852 532749546 /nfs/dbraw/zinc/74/95/46/532749546.db2.gz NSNBQTYOPBKEOH-NSHDSACASA-N 1 2 382.536 2.094 20 0 GEADLO CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)cs2)cc1 ZINC000541323483 532751673 /nfs/dbraw/zinc/75/16/73/532751673.db2.gz DPISUIWVBCESHP-IAOVAPTHSA-N 1 2 378.519 2.416 20 0 GEADLO CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)cs2)cc1 ZINC000541323483 532751675 /nfs/dbraw/zinc/75/16/75/532751675.db2.gz DPISUIWVBCESHP-IAOVAPTHSA-N 1 2 378.519 2.416 20 0 GEADLO C[C@H](CC[S@](C)=O)Nc1nc(N[C@H](C)CC[S@@](C)=O)c(Cl)c[nH+]1 ZINC000269019875 532774858 /nfs/dbraw/zinc/77/48/58/532774858.db2.gz DYGWUEMUJILATF-FHGKGXOXSA-N 1 2 380.967 2.268 20 0 GEADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(=O)NC ZINC000302876433 532775508 /nfs/dbraw/zinc/77/55/08/532775508.db2.gz OCVIOWYOICOWOY-SECBINFHSA-N 1 2 375.256 2.098 20 0 GEADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(=O)NC ZINC000302876433 532775509 /nfs/dbraw/zinc/77/55/09/532775509.db2.gz OCVIOWYOICOWOY-SECBINFHSA-N 1 2 375.256 2.098 20 0 GEADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)n1 ZINC000542581296 532775559 /nfs/dbraw/zinc/77/55/59/532775559.db2.gz VDEWVECEOREIIY-VIFPVBQESA-N 1 2 388.902 2.042 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411833834 532776811 /nfs/dbraw/zinc/77/68/11/532776811.db2.gz KYLFPXTYLGGATC-UHFFFAOYSA-N 1 2 386.901 2.127 20 0 GEADLO Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(Br)n1 ZINC000286982030 532777597 /nfs/dbraw/zinc/77/75/97/532777597.db2.gz FSSNDXQDMQZGSR-STQMWFEESA-N 1 2 383.290 2.479 20 0 GEADLO COCCCNC(=O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000411530291 532765111 /nfs/dbraw/zinc/76/51/11/532765111.db2.gz HYFFXVCVXYPWLW-LLVKDONJSA-N 1 2 397.273 2.302 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)CCc2ccc(Cl)s2)C1=O ZINC000542153094 532765562 /nfs/dbraw/zinc/76/55/62/532765562.db2.gz FGQGQVGGCCSFCR-CYBMUJFWSA-N 1 2 380.901 2.375 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)NCCCn2cc(Br)cn2)c(C)[nH+]1 ZINC000411521132 532765607 /nfs/dbraw/zinc/76/56/07/532765607.db2.gz AJHBNUINLBDQDN-UHFFFAOYSA-N 1 2 394.273 2.111 20 0 GEADLO Cc1nc2sccn2c1C[N@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000268478165 532766117 /nfs/dbraw/zinc/76/61/17/532766117.db2.gz KELUAQFUYISHDS-INIZCTEOSA-N 1 2 379.507 2.273 20 0 GEADLO Cc1nc2sccn2c1C[N@@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000268478165 532766121 /nfs/dbraw/zinc/76/61/21/532766121.db2.gz KELUAQFUYISHDS-INIZCTEOSA-N 1 2 379.507 2.273 20 0 GEADLO C[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)[C@@H](C)C[N@@H+]1C ZINC000509413525 532768664 /nfs/dbraw/zinc/76/86/64/532768664.db2.gz CTWMKNRFBNLIGY-OLZOCXBDSA-N 1 2 375.332 2.247 20 0 GEADLO C[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)[C@@H](C)C[N@H+]1C ZINC000509413525 532768666 /nfs/dbraw/zinc/76/86/66/532768666.db2.gz CTWMKNRFBNLIGY-OLZOCXBDSA-N 1 2 375.332 2.247 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000584568250 532769869 /nfs/dbraw/zinc/76/98/69/532769869.db2.gz YAMKGHPAIAXFPJ-UHOFOFEASA-N 1 2 382.302 2.325 20 0 GEADLO CCO[C@H]1C[C@](O)(CNc2[nH+]cnc3c2c(Br)nn3C)C1(C)C ZINC000302671093 532772467 /nfs/dbraw/zinc/77/24/67/532772467.db2.gz DPXWSEJETNNUAY-VFZGTOFNSA-N 1 2 384.278 2.104 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2cc(Br)cc(F)c21 ZINC000268829098 532772594 /nfs/dbraw/zinc/77/25/94/532772594.db2.gz KSSLAQNKHFOCEE-LBPRGKRZSA-N 1 2 399.308 2.296 20 0 GEADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000268992219 532773997 /nfs/dbraw/zinc/77/39/97/532773997.db2.gz WKLWGYOSNRXDLU-CHWSQXEVSA-N 1 2 384.523 2.296 20 0 GEADLO C[N@@H+]1CC[C@H](Nc2ncc(S(N)(=O)=O)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302819122 532773977 /nfs/dbraw/zinc/77/39/77/532773977.db2.gz JFBBUKJIFIFGHT-AAEUAGOBSA-N 1 2 390.893 2.440 20 0 GEADLO C[N@H+]1CC[C@H](Nc2ncc(S(N)(=O)=O)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302819122 532773980 /nfs/dbraw/zinc/77/39/80/532773980.db2.gz JFBBUKJIFIFGHT-AAEUAGOBSA-N 1 2 390.893 2.440 20 0 GEADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000268992219 532774001 /nfs/dbraw/zinc/77/40/01/532774001.db2.gz WKLWGYOSNRXDLU-CHWSQXEVSA-N 1 2 384.523 2.296 20 0 GEADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000268992223 532774595 /nfs/dbraw/zinc/77/45/95/532774595.db2.gz WKLWGYOSNRXDLU-QWHCGFSZSA-N 1 2 384.523 2.296 20 0 GEADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000268992223 532774601 /nfs/dbraw/zinc/77/46/01/532774601.db2.gz WKLWGYOSNRXDLU-QWHCGFSZSA-N 1 2 384.523 2.296 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287075708 532782531 /nfs/dbraw/zinc/78/25/31/532782531.db2.gz LOQYBYOPNHDCRF-DGCLKSJQSA-N 1 2 383.290 2.479 20 0 GEADLO COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000456735125 532783925 /nfs/dbraw/zinc/78/39/25/532783925.db2.gz WOAHBKCJIJMPDQ-GFCCVEGCSA-N 1 2 396.285 2.081 20 0 GEADLO CNC(=O)NC1CC[NH+](CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000412055491 532784342 /nfs/dbraw/zinc/78/43/42/532784342.db2.gz PJUUSXFWRGHEQE-UHFFFAOYSA-N 1 2 383.290 2.089 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000412078119 532784372 /nfs/dbraw/zinc/78/43/72/532784372.db2.gz OIFMKKHJWPVAPY-NSHDSACASA-N 1 2 376.400 2.482 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000412078119 532784378 /nfs/dbraw/zinc/78/43/78/532784378.db2.gz OIFMKKHJWPVAPY-NSHDSACASA-N 1 2 376.400 2.482 20 0 GEADLO CN(C(=O)C1(S(C)(=O)=O)CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457090793 532785347 /nfs/dbraw/zinc/78/53/47/532785347.db2.gz VJLPKNQDYMDZDG-UHFFFAOYSA-N 1 2 384.464 2.219 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)c3ccc(=O)n(C)c3)[nH+]c12 ZINC000546822830 532785715 /nfs/dbraw/zinc/78/57/15/532785715.db2.gz GLQVNDPNYOPYGT-UHFFFAOYSA-N 1 2 375.226 2.034 20 0 GEADLO O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000287209164 532786330 /nfs/dbraw/zinc/78/63/30/532786330.db2.gz FIEOQNANKXHGMF-GFCCVEGCSA-N 1 2 394.871 2.351 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)Cc2csc3ccc(Cl)cc23)CC1 ZINC000269706699 532787581 /nfs/dbraw/zinc/78/75/81/532787581.db2.gz LVQXZKWHMJBMGE-UHFFFAOYSA-N 1 2 379.913 2.378 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C)cc2Br)C1 ZINC000412355206 532788896 /nfs/dbraw/zinc/78/88/96/532788896.db2.gz AYBZPCSVIXKRLK-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C)cc2Br)C1 ZINC000412355206 532788899 /nfs/dbraw/zinc/78/88/99/532788899.db2.gz AYBZPCSVIXKRLK-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C)c(Br)c2)C1 ZINC000412363079 532788936 /nfs/dbraw/zinc/78/89/36/532788936.db2.gz JFDAWFNXXYVKQW-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C)c(Br)c2)C1 ZINC000412363079 532788939 /nfs/dbraw/zinc/78/89/39/532788939.db2.gz JFDAWFNXXYVKQW-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)c(Br)c2)C1 ZINC000412358421 532789042 /nfs/dbraw/zinc/78/90/42/532789042.db2.gz FFFCDOBCEDUOSH-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(F)c(Br)c2)C1 ZINC000412358421 532789045 /nfs/dbraw/zinc/78/90/45/532789045.db2.gz FFFCDOBCEDUOSH-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(Br)c2F)C1 ZINC000412358455 532789190 /nfs/dbraw/zinc/78/91/90/532789190.db2.gz FMOSFXGOQUSQLL-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(Br)c2F)C1 ZINC000412358455 532789192 /nfs/dbraw/zinc/78/91/92/532789192.db2.gz FMOSFXGOQUSQLL-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cc2cc(Br)ccc2C)C1 ZINC000412362266 532789309 /nfs/dbraw/zinc/78/93/09/532789309.db2.gz UWCHZWLHLZIBOU-CQSZACIVSA-N 1 2 397.313 2.301 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cc2cc(Br)ccc2C)C1 ZINC000412362266 532789313 /nfs/dbraw/zinc/78/93/13/532789313.db2.gz UWCHZWLHLZIBOU-CQSZACIVSA-N 1 2 397.313 2.301 20 0 GEADLO Cc1c(Br)cc(C(=O)Nc2nc(C[NH+](C)C)cs2)c(=O)n1C ZINC000457310296 532790143 /nfs/dbraw/zinc/79/01/43/532790143.db2.gz JIECYQUAZNYLGI-UHFFFAOYSA-N 1 2 385.287 2.227 20 0 GEADLO CC[C@@H]1[C@@H](CO)CCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000457929380 532791885 /nfs/dbraw/zinc/79/18/85/532791885.db2.gz ADKGGWNWBTTZRM-BXUZGUMPSA-N 1 2 381.274 2.399 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2sc(C)cc2OC(F)F)CC1 ZINC000412438049 532792718 /nfs/dbraw/zinc/79/27/18/532792718.db2.gz SARXDLBZMZMZKR-UHFFFAOYSA-N 1 2 378.441 2.077 20 0 GEADLO CCN(CCS(C)(=O)=O)C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000269905906 532792909 /nfs/dbraw/zinc/79/29/09/532792909.db2.gz IUMYDBDJUCRZCX-HNNXBMFYSA-N 1 2 375.560 2.207 20 0 GEADLO O=S(=O)(c1ccc2ncsc2c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328651374 532794408 /nfs/dbraw/zinc/79/44/08/532794408.db2.gz JQVUHYXUIIPKKQ-AWEZNQCLSA-N 1 2 381.523 2.029 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000328676840 532794723 /nfs/dbraw/zinc/79/47/23/532794723.db2.gz LQAWEQYDOUYIHY-VXGBXAGGSA-N 1 2 384.502 2.419 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000328676840 532794725 /nfs/dbraw/zinc/79/47/25/532794725.db2.gz LQAWEQYDOUYIHY-VXGBXAGGSA-N 1 2 384.502 2.419 20 0 GEADLO O=C(NCCc1cccc(Br)c1)NCC1([NH+]2CCOCC2)CC1 ZINC000458743233 532794923 /nfs/dbraw/zinc/79/49/23/532794923.db2.gz ZWGYOPPLWNVJAI-UHFFFAOYSA-N 1 2 382.302 2.156 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1)Nc1ccccc1Br ZINC000287435318 532795601 /nfs/dbraw/zinc/79/56/01/532795601.db2.gz PTEIZRIASVWFMV-CYBMUJFWSA-N 1 2 380.286 2.332 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1)Nc1ccccc1Br ZINC000287435318 532795605 /nfs/dbraw/zinc/79/56/05/532795605.db2.gz PTEIZRIASVWFMV-CYBMUJFWSA-N 1 2 380.286 2.332 20 0 GEADLO CCn1cnc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000328722833 532796615 /nfs/dbraw/zinc/79/66/15/532796615.db2.gz AFXOUTLRSGFIRF-HOCLYGCPSA-N 1 2 386.880 2.419 20 0 GEADLO CCn1cnc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000328722833 532796618 /nfs/dbraw/zinc/79/66/18/532796618.db2.gz AFXOUTLRSGFIRF-HOCLYGCPSA-N 1 2 386.880 2.419 20 0 GEADLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@H]21)Nc1ccc(I)cc1 ZINC000514203922 532780709 /nfs/dbraw/zinc/78/07/09/532780709.db2.gz NAOBHWZPFYTNIN-ZIAGYGMSSA-N 1 2 386.233 2.483 20 0 GEADLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@H]21)Nc1ccc(I)cc1 ZINC000514203922 532780712 /nfs/dbraw/zinc/78/07/12/532780712.db2.gz NAOBHWZPFYTNIN-ZIAGYGMSSA-N 1 2 386.233 2.483 20 0 GEADLO COc1ccc(I)c(NC(=O)NCc2ccc(N)[nH+]c2)c1 ZINC000554903301 532805462 /nfs/dbraw/zinc/80/54/62/532805462.db2.gz DXDZYVKCNXDBAG-UHFFFAOYSA-N 1 2 398.204 2.599 20 0 GEADLO C[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(F)cc1)[NH+]1CCSCC1 ZINC000329392145 532806113 /nfs/dbraw/zinc/80/61/13/532806113.db2.gz RYYNBRRKCKKPDZ-SWLSCSKDSA-N 1 2 383.514 2.103 20 0 GEADLO Cc1nc(Cl)ccc1S(=O)(=O)N(C)c1ccc(N2CCOCC2)[nH+]c1 ZINC000287700785 532806784 /nfs/dbraw/zinc/80/67/84/532806784.db2.gz FUFIQLRGFNEYSP-UHFFFAOYSA-N 1 2 382.873 2.100 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)N3CC[C@@H](C)C3)CC2)cs1 ZINC000329491777 532808069 /nfs/dbraw/zinc/80/80/69/532808069.db2.gz VRLVZHZTETWLEG-CQSZACIVSA-N 1 2 386.587 2.094 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCc1ccc(Br)cc1 ZINC000413279626 532808493 /nfs/dbraw/zinc/80/84/93/532808493.db2.gz KCEKCEAIYDXLGB-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CSC[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000329701912 532809803 /nfs/dbraw/zinc/80/98/03/532809803.db2.gz HQYQGHGJQAKMEP-CQSZACIVSA-N 1 2 376.869 2.094 20 0 GEADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCc1cc(Cl)cc(Br)c1 ZINC000412617150 532797174 /nfs/dbraw/zinc/79/71/74/532797174.db2.gz ACAFQWAEUBITLW-UHFFFAOYSA-N 1 2 390.709 2.175 20 0 GEADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCc1cc(Cl)cc(Br)c1 ZINC000412617150 532797178 /nfs/dbraw/zinc/79/71/78/532797178.db2.gz ACAFQWAEUBITLW-UHFFFAOYSA-N 1 2 390.709 2.175 20 0 GEADLO C[C@@H]1CCSCCN1C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000550044047 532797288 /nfs/dbraw/zinc/79/72/88/532797288.db2.gz FGKYDWBOIXDCNN-CJNGLKHVSA-N 1 2 383.945 2.413 20 0 GEADLO CN(CC1CC1)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328810768 532798127 /nfs/dbraw/zinc/79/81/27/532798127.db2.gz FETKGHBIUJZPPO-JKSUJKDBSA-N 1 2 375.897 2.401 20 0 GEADLO CN(CC1CC1)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328810768 532798128 /nfs/dbraw/zinc/79/81/28/532798128.db2.gz FETKGHBIUJZPPO-JKSUJKDBSA-N 1 2 375.897 2.401 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)C(=O)NCc1ccccc1Br ZINC000550819949 532798271 /nfs/dbraw/zinc/79/82/71/532798271.db2.gz ZNQDYGSKKAURBY-UHFFFAOYSA-N 1 2 391.269 2.079 20 0 GEADLO Ic1cccc(CN2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000551560587 532800264 /nfs/dbraw/zinc/80/02/64/532800264.db2.gz ZLBCGFZAYZHUQA-UHFFFAOYSA-N 1 2 382.249 2.332 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2sc(C(F)(F)F)nc2C)CC1 ZINC000462182917 532800745 /nfs/dbraw/zinc/80/07/45/532800745.db2.gz AIVFMEXMMOGIIG-VIFPVBQESA-N 1 2 379.404 2.180 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000287647924 532804513 /nfs/dbraw/zinc/80/45/13/532804513.db2.gz QDLOXDSHZKZSRB-LBPRGKRZSA-N 1 2 376.835 2.351 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000287647924 532804516 /nfs/dbraw/zinc/80/45/16/532804516.db2.gz QDLOXDSHZKZSRB-LBPRGKRZSA-N 1 2 376.835 2.351 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)NCCC(C)(C)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000413727214 532814293 /nfs/dbraw/zinc/81/42/93/532814293.db2.gz NQCWJVXFEZMXRK-HNNXBMFYSA-N 1 2 389.949 2.455 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413960053 532816497 /nfs/dbraw/zinc/81/64/97/532816497.db2.gz PFWGFVIFCTVPIS-UHFFFAOYSA-N 1 2 382.814 2.091 20 0 GEADLO NS(=O)(=O)C1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000330513455 532820564 /nfs/dbraw/zinc/82/05/64/532820564.db2.gz KWADIWQAHUIEJS-UHFFFAOYSA-N 1 2 391.280 2.296 20 0 GEADLO COC(=O)N1CC([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000273183041 532820846 /nfs/dbraw/zinc/82/08/46/532820846.db2.gz HMTIHSXRZALVIS-UHFFFAOYSA-N 1 2 379.052 2.147 20 0 GEADLO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1nc2ncccn2n1 ZINC000414260055 532821214 /nfs/dbraw/zinc/82/12/14/532821214.db2.gz HEZYDCNEAGGPBS-LLVKDONJSA-N 1 2 389.257 2.394 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)[C@H](C)C1 ZINC000288231584 532821331 /nfs/dbraw/zinc/82/13/31/532821331.db2.gz DGVHOICEXSAAJC-LLVKDONJSA-N 1 2 389.315 2.019 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)[C@H](C)C1 ZINC000288231584 532821335 /nfs/dbraw/zinc/82/13/35/532821335.db2.gz DGVHOICEXSAAJC-LLVKDONJSA-N 1 2 389.315 2.019 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CN3CCSC3=O)[nH+]c12 ZINC000273327225 532823111 /nfs/dbraw/zinc/82/31/11/532823111.db2.gz TTYZWQCIYKXKBE-UHFFFAOYSA-N 1 2 397.298 2.233 20 0 GEADLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1c[nH+]cn1C ZINC000414417736 532825519 /nfs/dbraw/zinc/82/55/19/532825519.db2.gz PWZNFKPIGBNZIS-SNVBAGLBSA-N 1 2 375.372 2.381 20 0 GEADLO CCS(=O)(=O)CCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000414421343 532825982 /nfs/dbraw/zinc/82/59/82/532825982.db2.gz ZFKCPYPDIIUCBT-ZDUSSCGKSA-N 1 2 388.559 2.321 20 0 GEADLO CCS(=O)(=O)CCCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000414421343 532825983 /nfs/dbraw/zinc/82/59/83/532825983.db2.gz ZFKCPYPDIIUCBT-ZDUSSCGKSA-N 1 2 388.559 2.321 20 0 GEADLO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000330806342 532827756 /nfs/dbraw/zinc/82/77/56/532827756.db2.gz MFEPZQQQYULSED-DVOMOZLQSA-N 1 2 375.485 2.380 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N(C)[C@H]3CCOC3)[nH+]c12 ZINC000273596092 532827871 /nfs/dbraw/zinc/82/78/71/532827871.db2.gz WDUJLIGDWRBHJC-AWEZNQCLSA-N 1 2 381.274 2.378 20 0 GEADLO C[NH+](C)Cc1nc(C(C)(C)NS(=O)(=O)c2c(Cl)ccc(F)c2F)no1 ZINC000414453871 532828108 /nfs/dbraw/zinc/82/81/08/532828108.db2.gz PQMDMAZVKNMBOZ-UHFFFAOYSA-N 1 2 394.831 2.276 20 0 GEADLO CCCN(CC)C(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000288463880 532828258 /nfs/dbraw/zinc/82/82/58/532828258.db2.gz FANBESNWLVVQDU-UHFFFAOYSA-N 1 2 381.274 2.280 20 0 GEADLO OC[C@@H]1C[N@H+](Cc2ccc(Br)c(Br)c2)CC[C@H]1O ZINC000414554343 532831986 /nfs/dbraw/zinc/83/19/86/532831986.db2.gz GWLUNUFCBHURRP-GXFFZTMASA-N 1 2 379.092 2.387 20 0 GEADLO OC[C@@H]1C[N@@H+](Cc2ccc(Br)c(Br)c2)CC[C@H]1O ZINC000414554343 532831988 /nfs/dbraw/zinc/83/19/88/532831988.db2.gz GWLUNUFCBHURRP-GXFFZTMASA-N 1 2 379.092 2.387 20 0 GEADLO OC[C@H]1C[N@H+](Cc2cc(Br)cc(Br)c2)CC[C@@H]1O ZINC000414559932 532832761 /nfs/dbraw/zinc/83/27/61/532832761.db2.gz PZFAZLUHDRKJTE-MFKMUULPSA-N 1 2 379.092 2.387 20 0 GEADLO OC[C@H]1C[N@@H+](Cc2cc(Br)cc(Br)c2)CC[C@@H]1O ZINC000414559932 532832764 /nfs/dbraw/zinc/83/27/64/532832764.db2.gz PZFAZLUHDRKJTE-MFKMUULPSA-N 1 2 379.092 2.387 20 0 GEADLO CCn1ccc(C[NH2+]Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)n1 ZINC000414483980 532830865 /nfs/dbraw/zinc/83/08/65/532830865.db2.gz PEXNWMWIEAZOGG-LBPRGKRZSA-N 1 2 395.301 2.469 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)C1CC[NH+](CC(F)F)CC1 ZINC000288645831 532833882 /nfs/dbraw/zinc/83/38/82/532833882.db2.gz QVUOJBUHXJSHGL-UHFFFAOYSA-N 1 2 379.249 2.129 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccncc1I ZINC000273829917 532835798 /nfs/dbraw/zinc/83/57/98/532835798.db2.gz LGEZNLHUXPYLJP-UHFFFAOYSA-N 1 2 385.209 2.437 20 0 GEADLO COc1ccc(Br)c(CC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1 ZINC000331199087 532835514 /nfs/dbraw/zinc/83/55/14/532835514.db2.gz ZJXMMUYGQODXJD-UHFFFAOYSA-N 1 2 398.301 2.458 20 0 GEADLO COC(=O)NC(C)(C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273960289 532838087 /nfs/dbraw/zinc/83/80/87/532838087.db2.gz LSMBINJZOSSBMC-UHFFFAOYSA-N 1 2 383.246 2.156 20 0 GEADLO Cc1cccc2[nH+]c(CNC(=O)NCCCn3cc(Br)cn3)cn21 ZINC000288798205 532838529 /nfs/dbraw/zinc/83/85/29/532838529.db2.gz FDVOIWOGUDAPSA-UHFFFAOYSA-N 1 2 391.273 2.491 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2N[C@@H]1COc2ccccc2[C@H]1O ZINC000288819107 532839093 /nfs/dbraw/zinc/83/90/93/532839093.db2.gz HJKDSNYYIGBFHW-BXKDBHETSA-N 1 2 376.214 2.032 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2N[C@@H]1COc2ccccc2[C@@H]1O ZINC000288819133 532839110 /nfs/dbraw/zinc/83/91/10/532839110.db2.gz HJKDSNYYIGBFHW-SKDRFNHKSA-N 1 2 376.214 2.032 20 0 GEADLO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc(Br)c1OC(F)F ZINC000359972424 212129269 /nfs/dbraw/zinc/12/92/69/212129269.db2.gz FPOWFRXLCMASFQ-GHMZBOCLSA-N 1 2 396.228 2.377 20 0 GEADLO CCOc1cc(C[N@H+]2C[C@H](O)C[C@@H]2CO)cc(Br)c1OC(F)F ZINC000359972424 212129274 /nfs/dbraw/zinc/12/92/74/212129274.db2.gz FPOWFRXLCMASFQ-GHMZBOCLSA-N 1 2 396.228 2.377 20 0 GEADLO C[C@@H]1C[C@]2(C[C@@H]2C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCO1 ZINC000359977141 212128562 /nfs/dbraw/zinc/12/85/62/212128562.db2.gz VRGVGQFVUVQZIW-ZNLUXHQJSA-N 1 2 388.508 2.219 20 0 GEADLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(OCCOC)cc3)sc2C1 ZINC000359942979 212126293 /nfs/dbraw/zinc/12/62/93/212126293.db2.gz XQSLTUNMFZQYRM-UHFFFAOYSA-N 1 2 397.522 2.347 20 0 GEADLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(OCCOC)cc3)sc2C1 ZINC000359942979 212126298 /nfs/dbraw/zinc/12/62/98/212126298.db2.gz XQSLTUNMFZQYRM-UHFFFAOYSA-N 1 2 397.522 2.347 20 0 GEADLO C[C@H]1Cc2cc(C(=O)N3CCC[C@H]3c3[nH+]ccn3C)ccc2N1S(C)(=O)=O ZINC000359898906 212123172 /nfs/dbraw/zinc/12/31/72/212123172.db2.gz NFZHFZAHGSXNKH-GUYCJALGSA-N 1 2 388.493 2.108 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@H](CO)C3)[nH+]c12 ZINC000274168979 532843156 /nfs/dbraw/zinc/84/31/56/532843156.db2.gz ICLONKLHOTVVOG-LBPRGKRZSA-N 1 2 381.274 2.319 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCc1cc(Cl)ccc1OC(F)F ZINC000274177828 532843309 /nfs/dbraw/zinc/84/33/09/532843309.db2.gz ATFUOTATTKIXKI-UHFFFAOYSA-N 1 2 398.859 2.083 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H]([C@H](C)O)C3)[nH+]c12 ZINC000274205520 532844008 /nfs/dbraw/zinc/84/40/08/532844008.db2.gz MUNBOXDMMXYBMK-RYUDHWBXSA-N 1 2 381.274 2.318 20 0 GEADLO CN(Cc1cccc(Cl)c1Cl)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274217034 532844562 /nfs/dbraw/zinc/84/45/62/532844562.db2.gz QLGGCOIHDHOQMN-UHFFFAOYSA-N 1 2 381.325 2.477 20 0 GEADLO C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274226737 532845005 /nfs/dbraw/zinc/84/50/05/532845005.db2.gz SMUIMTYVHLTQCJ-CQSZACIVSA-N 1 2 383.539 2.341 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000331829191 532845268 /nfs/dbraw/zinc/84/52/68/532845268.db2.gz XJEJKWFKGQGUER-ZDUSSCGKSA-N 1 2 379.507 2.325 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000331829191 532845267 /nfs/dbraw/zinc/84/52/67/532845267.db2.gz XJEJKWFKGQGUER-ZDUSSCGKSA-N 1 2 379.507 2.325 20 0 GEADLO CC(C)[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1[nH]cc[nH+]1 ZINC000289033486 532845481 /nfs/dbraw/zinc/84/54/81/532845481.db2.gz WSUZXGQZQTXRTO-CYBMUJFWSA-N 1 2 391.902 2.142 20 0 GEADLO CO[C@H]1CCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)[C@@H](C[NH3+])C1 ZINC000415478171 532846795 /nfs/dbraw/zinc/84/67/95/532846795.db2.gz FZMWGYYQEHCHQV-MNOVXSKESA-N 1 2 381.889 2.250 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000274308585 532847709 /nfs/dbraw/zinc/84/77/09/532847709.db2.gz LMTRJSOGOBVMTG-DOMZBBRYSA-N 1 2 381.416 2.247 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000274308585 532847710 /nfs/dbraw/zinc/84/77/10/532847710.db2.gz LMTRJSOGOBVMTG-DOMZBBRYSA-N 1 2 381.416 2.247 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000332030190 532848028 /nfs/dbraw/zinc/84/80/28/532848028.db2.gz NYFLEVUFLOIGEH-UHFFFAOYSA-N 1 2 395.297 2.452 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000332030190 532848033 /nfs/dbraw/zinc/84/80/33/532848033.db2.gz NYFLEVUFLOIGEH-UHFFFAOYSA-N 1 2 395.297 2.452 20 0 GEADLO CCOC(=O)[C@](C)(O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000274582661 532852087 /nfs/dbraw/zinc/85/20/87/532852087.db2.gz HWVGPPZGAWQGAR-GOSISDBHSA-N 1 2 389.323 2.468 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000289337175 532852719 /nfs/dbraw/zinc/85/27/19/532852719.db2.gz YXTBNSMKVHRIQL-OCCSQVGLSA-N 1 2 398.301 2.159 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c(Cl)c1OC ZINC000289338444 532853045 /nfs/dbraw/zinc/85/30/45/532853045.db2.gz HMIUOPBWBDCAQQ-ZDUSSCGKSA-N 1 2 376.906 2.213 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c(Cl)c1OC ZINC000289338444 532853049 /nfs/dbraw/zinc/85/30/49/532853049.db2.gz HMIUOPBWBDCAQQ-ZDUSSCGKSA-N 1 2 376.906 2.213 20 0 GEADLO CCN1CCN(S(=O)(=O)c2cc(OC)ccc2Cl)C[C@H]1c1[nH]cc[nH+]1 ZINC000332361805 532852915 /nfs/dbraw/zinc/85/29/15/532852915.db2.gz VBMISQRTNBRVSE-AWEZNQCLSA-N 1 2 384.889 2.139 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H](O)C[C@H](C)C3)[nH+]c12 ZINC000332366892 532853399 /nfs/dbraw/zinc/85/33/99/532853399.db2.gz YBEXMITZIBKDTJ-IINYFYTJSA-N 1 2 381.274 2.318 20 0 GEADLO CN(C)c1ncc(Br)cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000332394662 532854461 /nfs/dbraw/zinc/85/44/61/532854461.db2.gz OBDCOCDDXSOKMK-UHFFFAOYSA-N 1 2 390.285 2.268 20 0 GEADLO C[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@@H](C)S1(=O)=O ZINC000289445371 532855162 /nfs/dbraw/zinc/85/51/62/532855162.db2.gz GJRQNMPXNLLEJM-CHWSQXEVSA-N 1 2 386.543 2.168 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000274824490 532857120 /nfs/dbraw/zinc/85/71/20/532857120.db2.gz KNWJUKYYELPXDK-WFASDCNBSA-N 1 2 386.265 2.158 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000274824490 532857121 /nfs/dbraw/zinc/85/71/21/532857121.db2.gz KNWJUKYYELPXDK-WFASDCNBSA-N 1 2 386.265 2.158 20 0 GEADLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000332603072 532857775 /nfs/dbraw/zinc/85/77/75/532857775.db2.gz LXOZUWDLNMYVKG-ZDUSSCGKSA-N 1 2 391.331 2.152 20 0 GEADLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000332605143 532858074 /nfs/dbraw/zinc/85/80/74/532858074.db2.gz MSQQQHUAOCKETD-LBPRGKRZSA-N 1 2 398.301 2.003 20 0 GEADLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000332605143 532858076 /nfs/dbraw/zinc/85/80/76/532858076.db2.gz MSQQQHUAOCKETD-LBPRGKRZSA-N 1 2 398.301 2.003 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(Br)c(OC)s2)CC1 ZINC000289550905 532858406 /nfs/dbraw/zinc/85/84/06/532858406.db2.gz XRCFMELJIDDFFG-UHFFFAOYSA-N 1 2 397.360 2.423 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCC(C)(C)O)[nH+]c12 ZINC000275072466 532863480 /nfs/dbraw/zinc/86/34/80/532863480.db2.gz PUYHDKMWFXSVQD-UHFFFAOYSA-N 1 2 383.290 2.408 20 0 GEADLO Cc1nc2ccc(Br)cn2c1-c1nc([C@@H]2C[NH+]3CCN2CC3)no1 ZINC000289922421 532867742 /nfs/dbraw/zinc/86/77/42/532867742.db2.gz XRLKQGVDMWBWIF-LBPRGKRZSA-N 1 2 389.257 2.128 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000289927900 532868299 /nfs/dbraw/zinc/86/82/99/532868299.db2.gz ODULTOVPBNPGTL-UHFFFAOYSA-N 1 2 388.917 2.357 20 0 GEADLO CC(C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[NH+](C)C ZINC000289960668 532868743 /nfs/dbraw/zinc/86/87/43/532868743.db2.gz WQNGYYCOLKLVAQ-AWEZNQCLSA-N 1 2 382.511 2.469 20 0 GEADLO Cc1cc(Br)ccc1CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333445939 532868653 /nfs/dbraw/zinc/86/86/53/532868653.db2.gz MQTGNHYGMNDQBQ-UHFFFAOYSA-N 1 2 382.302 2.422 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000289961506 532868717 /nfs/dbraw/zinc/86/87/17/532868717.db2.gz IPLKFYFPBINUGE-UHFFFAOYSA-N 1 2 389.308 2.266 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3noc4ccc(Br)cc43)C[C@H]21 ZINC000333571656 532871100 /nfs/dbraw/zinc/87/11/00/532871100.db2.gz MNJUYLTZORPDTJ-GDBMZVCRSA-N 1 2 394.269 2.064 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3noc4ccc(Br)cc43)C[C@H]21 ZINC000333571656 532871104 /nfs/dbraw/zinc/87/11/04/532871104.db2.gz MNJUYLTZORPDTJ-GDBMZVCRSA-N 1 2 394.269 2.064 20 0 GEADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000290093156 532872048 /nfs/dbraw/zinc/87/20/48/532872048.db2.gz ZSISRZQGEDFJPP-NWDGAFQWSA-N 1 2 380.290 2.423 20 0 GEADLO C[C@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[S@]1=O ZINC000333910800 532875476 /nfs/dbraw/zinc/87/54/76/532875476.db2.gz XBHFDWUHTKMLEU-MLMJSJRWSA-N 1 2 389.319 2.285 20 0 GEADLO C[C@@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[S@]1=O ZINC000333910802 532875372 /nfs/dbraw/zinc/87/53/72/532875372.db2.gz XBHFDWUHTKMLEU-ZQJOYCHOSA-N 1 2 389.319 2.285 20 0 GEADLO C[C@@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[S@@]1=O ZINC000333910803 532875411 /nfs/dbraw/zinc/87/54/11/532875411.db2.gz XBHFDWUHTKMLEU-STFLBKPXSA-N 1 2 389.319 2.285 20 0 GEADLO CS[C@H]1CN(c2cc(C(C)=O)ccc2S(C)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000275511100 532877170 /nfs/dbraw/zinc/87/71/70/532877170.db2.gz UYHJGMUSNFGFPI-IRXDYDNUSA-N 1 2 382.551 2.309 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)NC[C@@H](O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000333978451 532876915 /nfs/dbraw/zinc/87/69/15/532876915.db2.gz DVZYORQVIWBRIT-XQQFMLRXSA-N 1 2 383.773 2.447 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)NC[C@@H](O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000333978451 532876916 /nfs/dbraw/zinc/87/69/16/532876916.db2.gz DVZYORQVIWBRIT-XQQFMLRXSA-N 1 2 383.773 2.447 20 0 GEADLO CC(C)C(=O)NCC[N@H+](C)Cc1cn(-c2ccccc2Br)nn1 ZINC000290310683 532877811 /nfs/dbraw/zinc/87/78/11/532877811.db2.gz ALBZRGIUUXPRGY-UHFFFAOYSA-N 1 2 380.290 2.234 20 0 GEADLO CC(C)C(=O)NCC[N@@H+](C)Cc1cn(-c2ccccc2Br)nn1 ZINC000290310683 532877813 /nfs/dbraw/zinc/87/78/13/532877813.db2.gz ALBZRGIUUXPRGY-UHFFFAOYSA-N 1 2 380.290 2.234 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290389014 532879452 /nfs/dbraw/zinc/87/94/52/532879452.db2.gz HXBANDJROSSGHN-GFCCVEGCSA-N 1 2 378.885 2.150 20 0 GEADLO COc1cc(OC)c(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000416435808 532877266 /nfs/dbraw/zinc/87/72/66/532877266.db2.gz AKXMIZKNGWEQSF-NSHDSACASA-N 1 2 385.873 2.269 20 0 GEADLO O=C([C@@H]1CC[N@@H+](Cc2ncc(I)s2)C1)N1CCCC1 ZINC000290477703 532882189 /nfs/dbraw/zinc/88/21/89/532882189.db2.gz NWNMNYMAGNCDMB-SNVBAGLBSA-N 1 2 391.278 2.192 20 0 GEADLO O=C([C@@H]1CC[N@H+](Cc2ncc(I)s2)C1)N1CCCC1 ZINC000290477703 532882191 /nfs/dbraw/zinc/88/21/91/532882191.db2.gz NWNMNYMAGNCDMB-SNVBAGLBSA-N 1 2 391.278 2.192 20 0 GEADLO Cn1cc([C@H]2OCCC[C@@H]2Nc2[nH+]cnc3c2c(Br)nn3C)cn1 ZINC000275724787 532882493 /nfs/dbraw/zinc/88/24/93/532882493.db2.gz ZFVZABCVQUVXKW-CMPLNLGQSA-N 1 2 392.261 2.192 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2csc(Br)c2)C1 ZINC000275607413 532880224 /nfs/dbraw/zinc/88/02/24/532880224.db2.gz IKNLVODAJJFBTB-LLVKDONJSA-N 1 2 396.314 2.229 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2csc(Br)c2)C1 ZINC000275607413 532880226 /nfs/dbraw/zinc/88/02/26/532880226.db2.gz IKNLVODAJJFBTB-LLVKDONJSA-N 1 2 396.314 2.229 20 0 GEADLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)Nc2cccc(Br)n2)C1 ZINC000276042519 532887865 /nfs/dbraw/zinc/88/78/65/532887865.db2.gz GETKPXHOUCOADJ-GFCCVEGCSA-N 1 2 391.273 2.372 20 0 GEADLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Nc2ccc(Br)nc2)C1 ZINC000275959602 532886573 /nfs/dbraw/zinc/88/65/73/532886573.db2.gz MVGXNOSOYHWLTA-ZDUSSCGKSA-N 1 2 391.273 2.372 20 0 GEADLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Nc2ccc(Br)nc2)C1 ZINC000275959602 532886575 /nfs/dbraw/zinc/88/65/75/532886575.db2.gz MVGXNOSOYHWLTA-ZDUSSCGKSA-N 1 2 391.273 2.372 20 0 GEADLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)Nc2cccc(Br)n2)C1 ZINC000276042519 532887869 /nfs/dbraw/zinc/88/78/69/532887869.db2.gz GETKPXHOUCOADJ-GFCCVEGCSA-N 1 2 391.273 2.372 20 0 GEADLO CC(C)(C)c1nc(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cs1 ZINC000360814122 532891476 /nfs/dbraw/zinc/89/14/76/532891476.db2.gz ZWTQRVFEYAGKIU-SFHVURJKSA-N 1 2 383.583 2.307 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(Br)ncc1Cl ZINC000290942286 532893140 /nfs/dbraw/zinc/89/31/40/532893140.db2.gz ONZXGLHEFOJEOX-ZWNOBZJWSA-N 1 2 388.693 2.433 20 0 GEADLO [NH3+][C@@H](C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)c1cscn1 ZINC000423075589 532893352 /nfs/dbraw/zinc/89/33/52/532893352.db2.gz OVUGDFABXYPIHA-ISVAXAHUSA-N 1 2 376.265 2.006 20 0 GEADLO Cc1ccc2[nH+]c(CNC(=O)N(C)CCn3cc(Br)cn3)cn2c1 ZINC000291178965 532898189 /nfs/dbraw/zinc/89/81/89/532898189.db2.gz HFXSSMPRYDWEFN-UHFFFAOYSA-N 1 2 391.273 2.443 20 0 GEADLO C[C@@H](Cn1cc(Br)cn1)Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000291159192 532897246 /nfs/dbraw/zinc/89/72/46/532897246.db2.gz IDWFWULIHFRERN-ZDUSSCGKSA-N 1 2 392.301 2.078 20 0 GEADLO C[C@@H](Cn1cc(Br)cn1)Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000291159192 532897248 /nfs/dbraw/zinc/89/72/48/532897248.db2.gz IDWFWULIHFRERN-ZDUSSCGKSA-N 1 2 392.301 2.078 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)CCCCC1 ZINC000363540313 532899325 /nfs/dbraw/zinc/89/93/25/532899325.db2.gz VAXSQHGQIJNIDN-UHFFFAOYSA-N 1 2 385.295 2.334 20 0 GEADLO OC[C@@H]1C[N@H+](Cc2cn(-c3ccccc3Br)nn2)CCC1(F)F ZINC000291236783 532898926 /nfs/dbraw/zinc/89/89/26/532898926.db2.gz KWDPWEYTOSJMOO-NSHDSACASA-N 1 2 387.228 2.479 20 0 GEADLO OC[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3Br)nn2)CCC1(F)F ZINC000291236783 532898928 /nfs/dbraw/zinc/89/89/28/532898928.db2.gz KWDPWEYTOSJMOO-NSHDSACASA-N 1 2 387.228 2.479 20 0 GEADLO CON(C)C(=O)C1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000291376739 532900889 /nfs/dbraw/zinc/90/08/89/532900889.db2.gz ZTXJPMKJNRIXKD-UHFFFAOYSA-N 1 2 381.274 2.329 20 0 GEADLO CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1Cl ZINC000365415547 532910734 /nfs/dbraw/zinc/91/07/34/532910734.db2.gz ACYDHCUKXYFPNI-CQSZACIVSA-N 1 2 386.901 2.173 20 0 GEADLO CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1Cl ZINC000365415547 532910736 /nfs/dbraw/zinc/91/07/36/532910736.db2.gz ACYDHCUKXYFPNI-CQSZACIVSA-N 1 2 386.901 2.173 20 0 GEADLO COC(=O)[C@H]1C[C@H](NC(=O)CCCOc2cccc(Cl)c2Cl)C[NH2+]1 ZINC000365787418 532912053 /nfs/dbraw/zinc/91/20/53/532912053.db2.gz PPZYFYDEIXLEAM-CMPLNLGQSA-N 1 2 375.252 2.172 20 0 GEADLO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000365871632 532912848 /nfs/dbraw/zinc/91/28/48/532912848.db2.gz RCYKZVTTYUKDEM-ZDUSSCGKSA-N 1 2 386.279 2.253 20 0 GEADLO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000365871632 532912847 /nfs/dbraw/zinc/91/28/47/532912847.db2.gz RCYKZVTTYUKDEM-ZDUSSCGKSA-N 1 2 386.279 2.253 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)C2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC000365684100 532911790 /nfs/dbraw/zinc/91/17/90/532911790.db2.gz XUCCWKGTWDFKMJ-UHFFFAOYSA-N 1 2 384.307 2.435 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)C2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC000365684100 532911792 /nfs/dbraw/zinc/91/17/92/532911792.db2.gz XUCCWKGTWDFKMJ-UHFFFAOYSA-N 1 2 384.307 2.435 20 0 GEADLO Cc1nn(C)c(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1Br ZINC000366191844 532915287 /nfs/dbraw/zinc/91/52/87/532915287.db2.gz UZTZZBMAWTXDCG-NSHDSACASA-N 1 2 383.294 2.320 20 0 GEADLO Cc1nn(C)c(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1Br ZINC000366191844 532915289 /nfs/dbraw/zinc/91/52/89/532915289.db2.gz UZTZZBMAWTXDCG-NSHDSACASA-N 1 2 383.294 2.320 20 0 GEADLO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(Br)cn1 ZINC000366277619 532916005 /nfs/dbraw/zinc/91/60/05/532916005.db2.gz HUPPBYXCQSXZEP-SMDDNHRTSA-N 1 2 383.290 2.068 20 0 GEADLO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(Br)cn1 ZINC000366277619 532916007 /nfs/dbraw/zinc/91/60/07/532916007.db2.gz HUPPBYXCQSXZEP-SMDDNHRTSA-N 1 2 383.290 2.068 20 0 GEADLO COc1ccc(-c2nc(C[N@H+](C)[C@@H]3CCN(S(C)(=O)=O)C3)cs2)cc1 ZINC000292134864 532913827 /nfs/dbraw/zinc/91/38/27/532913827.db2.gz IYNJHYPZTSQQMU-OAHLLOKOSA-N 1 2 381.523 2.284 20 0 GEADLO COc1ccc(-c2nc(C[N@@H+](C)[C@@H]3CCN(S(C)(=O)=O)C3)cs2)cc1 ZINC000292134864 532913828 /nfs/dbraw/zinc/91/38/28/532913828.db2.gz IYNJHYPZTSQQMU-OAHLLOKOSA-N 1 2 381.523 2.284 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@H]1CCS(C)(=O)=O)c1ccsc1 ZINC000366082785 532914521 /nfs/dbraw/zinc/91/45/21/532914521.db2.gz DTDLKQJJZIYCQC-HOTGVXAUSA-N 1 2 387.571 2.350 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000366328464 532916477 /nfs/dbraw/zinc/91/64/77/532916477.db2.gz LICHBDUHJIWPKV-RKDXNWHRSA-N 1 2 390.654 2.180 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000366328464 532916479 /nfs/dbraw/zinc/91/64/79/532916479.db2.gz LICHBDUHJIWPKV-RKDXNWHRSA-N 1 2 390.654 2.180 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000366328463 532916484 /nfs/dbraw/zinc/91/64/84/532916484.db2.gz LICHBDUHJIWPKV-IUCAKERBSA-N 1 2 390.654 2.180 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000366328463 532916485 /nfs/dbraw/zinc/91/64/85/532916485.db2.gz LICHBDUHJIWPKV-IUCAKERBSA-N 1 2 390.654 2.180 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000366428541 532917172 /nfs/dbraw/zinc/91/71/72/532917172.db2.gz IDRZDIIPCIGYKL-JGVFFNPUSA-N 1 2 390.654 2.180 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000366428541 532917173 /nfs/dbraw/zinc/91/71/73/532917173.db2.gz IDRZDIIPCIGYKL-JGVFFNPUSA-N 1 2 390.654 2.180 20 0 GEADLO C[C@](O)(C[N@@H+]1CCN2C(=O)NC[C@@H]2C1)c1ccc(Br)cc1Cl ZINC000292689152 532917625 /nfs/dbraw/zinc/91/76/25/532917625.db2.gz CITZMQOIEGWTIN-ABAIWWIYSA-N 1 2 388.693 2.019 20 0 GEADLO C[C@](O)(C[N@H+]1CCN2C(=O)NC[C@@H]2C1)c1ccc(Br)cc1Cl ZINC000292689152 532917626 /nfs/dbraw/zinc/91/76/26/532917626.db2.gz CITZMQOIEGWTIN-ABAIWWIYSA-N 1 2 388.693 2.019 20 0 GEADLO O=C1NCCCC[C@H]1[NH+]1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000366932096 532922200 /nfs/dbraw/zinc/92/22/00/532922200.db2.gz FYBQWVWWTUIIPO-IAGOWNOFSA-N 1 2 386.323 2.313 20 0 GEADLO O=C1NCCCC[C@H]1[NH+]1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000366932098 532922254 /nfs/dbraw/zinc/92/22/54/532922254.db2.gz FYBQWVWWTUIIPO-SJORKVTESA-N 1 2 386.323 2.313 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000366642237 532919601 /nfs/dbraw/zinc/91/96/01/532919601.db2.gz NFLGXJNXTGGHPE-SWLSCSKDSA-N 1 2 386.265 2.111 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000366642237 532919602 /nfs/dbraw/zinc/91/96/02/532919602.db2.gz NFLGXJNXTGGHPE-SWLSCSKDSA-N 1 2 386.265 2.111 20 0 GEADLO COC[C@H]1CCN1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000292971307 532920542 /nfs/dbraw/zinc/92/05/42/532920542.db2.gz HFFVWCVYBAZCRD-CQSZACIVSA-N 1 2 381.274 2.378 20 0 GEADLO O=c1c(Br)c(NCC[N@H+]2CC=CCC2)cnn1-c1ccccn1 ZINC000292987027 532920902 /nfs/dbraw/zinc/92/09/02/532920902.db2.gz GFHHXLYVYOXFBH-UHFFFAOYSA-N 1 2 376.258 2.064 20 0 GEADLO O=c1c(Br)c(NCC[N@@H+]2CC=CCC2)cnn1-c1ccccn1 ZINC000292987027 532920904 /nfs/dbraw/zinc/92/09/04/532920904.db2.gz GFHHXLYVYOXFBH-UHFFFAOYSA-N 1 2 376.258 2.064 20 0 GEADLO Cn1ncc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1I ZINC000293160118 532922934 /nfs/dbraw/zinc/92/29/34/532922934.db2.gz VOIOSYKBKFWEGW-SNVBAGLBSA-N 1 2 385.209 2.115 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)C1 ZINC000367167304 532923200 /nfs/dbraw/zinc/92/32/00/532923200.db2.gz YXYTWZOALDPJQP-LBPRGKRZSA-N 1 2 379.869 2.381 20 0 GEADLO O=C([C@H]1CCCO1)N1CCC[N@@H+](Cc2cc(O)ccc2Br)CC1 ZINC000367433177 532924710 /nfs/dbraw/zinc/92/47/10/532924710.db2.gz UPHQKQRRBNAUAV-MRXNPFEDSA-N 1 2 383.286 2.368 20 0 GEADLO O=C([C@H]1CCCO1)N1CCC[N@H+](Cc2cc(O)ccc2Br)CC1 ZINC000367433177 532924712 /nfs/dbraw/zinc/92/47/12/532924712.db2.gz UPHQKQRRBNAUAV-MRXNPFEDSA-N 1 2 383.286 2.368 20 0 GEADLO O=C([C@@H]1CCCO1)N1CCC[N@@H+](Cc2cc(O)ccc2Br)CC1 ZINC000367433176 532924850 /nfs/dbraw/zinc/92/48/50/532924850.db2.gz UPHQKQRRBNAUAV-INIZCTEOSA-N 1 2 383.286 2.368 20 0 GEADLO O=C([C@@H]1CCCO1)N1CCC[N@H+](Cc2cc(O)ccc2Br)CC1 ZINC000367433176 532924851 /nfs/dbraw/zinc/92/48/51/532924851.db2.gz UPHQKQRRBNAUAV-INIZCTEOSA-N 1 2 383.286 2.368 20 0 GEADLO O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000367802974 532927236 /nfs/dbraw/zinc/92/72/36/532927236.db2.gz FVFRNDOZMLUURJ-ZDUSSCGKSA-N 1 2 391.827 2.476 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccnc(Br)c1 ZINC000293459469 532927364 /nfs/dbraw/zinc/92/73/64/532927364.db2.gz LBSKPQOHCFRCTP-ZDUSSCGKSA-N 1 2 376.320 2.138 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccnc(Br)c1 ZINC000293459469 532927366 /nfs/dbraw/zinc/92/73/66/532927366.db2.gz LBSKPQOHCFRCTP-ZDUSSCGKSA-N 1 2 376.320 2.138 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1Br)N1CC[NH2+]C[C@H]1C(F)F ZINC000367887415 532928233 /nfs/dbraw/zinc/92/82/33/532928233.db2.gz RXYGFGINMHALDA-VIFPVBQESA-N 1 2 389.649 2.330 20 0 GEADLO Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c(Br)c1 ZINC000367971582 532929128 /nfs/dbraw/zinc/92/91/28/532929128.db2.gz CPOPBFDJDCHDOJ-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c(Br)c1 ZINC000367971582 532929129 /nfs/dbraw/zinc/92/91/29/532929129.db2.gz CPOPBFDJDCHDOJ-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO Cc1c(Br)cccc1C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000368012156 532929452 /nfs/dbraw/zinc/92/94/52/532929452.db2.gz OXZAWFIKQWXTEJ-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO Cc1c(Br)cccc1C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000368012156 532929453 /nfs/dbraw/zinc/92/94/53/532929453.db2.gz OXZAWFIKQWXTEJ-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCCCCCS(N)(=O)=O)CC1 ZINC000293850641 532932341 /nfs/dbraw/zinc/93/23/41/532932341.db2.gz XCHWHCZGNAQKBA-OAHLLOKOSA-N 1 2 387.571 2.192 20 0 GEADLO CSc1ccc([C@@H](C)[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1F ZINC000368222946 532930849 /nfs/dbraw/zinc/93/08/49/532930849.db2.gz IMYZBBPWOLTCSD-CYBMUJFWSA-N 1 2 375.535 2.423 20 0 GEADLO CSc1ccc([C@@H](C)[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1F ZINC000368222946 532930850 /nfs/dbraw/zinc/93/08/50/532930850.db2.gz IMYZBBPWOLTCSD-CYBMUJFWSA-N 1 2 375.535 2.423 20 0 GEADLO C[C@H](NC(=O)C[N@H+](C)[C@H]1CCCCNC1=O)c1ccc(Br)cc1 ZINC000368892226 532935166 /nfs/dbraw/zinc/93/51/66/532935166.db2.gz OXRCSEANPQXVPZ-WFASDCNBSA-N 1 2 382.302 2.227 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](C)[C@H]1CCCCNC1=O)c1ccc(Br)cc1 ZINC000368892226 532935168 /nfs/dbraw/zinc/93/51/68/532935168.db2.gz OXRCSEANPQXVPZ-WFASDCNBSA-N 1 2 382.302 2.227 20 0 GEADLO CC[C@@H]1CN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)C[C@H](C)[S@]1=O ZINC000368551658 532933407 /nfs/dbraw/zinc/93/34/07/532933407.db2.gz RIELZJPNVALMDP-GMWDSFAXSA-N 1 2 383.583 2.422 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C[C@H](C)[N@H+]1C ZINC000293955003 532933706 /nfs/dbraw/zinc/93/37/06/532933706.db2.gz KMZJWGBXZVJHTF-PHIMTYICSA-N 1 2 389.315 2.017 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C[C@H](C)[N@@H+]1C ZINC000293955003 532933707 /nfs/dbraw/zinc/93/37/07/532933707.db2.gz KMZJWGBXZVJHTF-PHIMTYICSA-N 1 2 389.315 2.017 20 0 GEADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000368976328 532936281 /nfs/dbraw/zinc/93/62/81/532936281.db2.gz VNMPNNHKOOTFIW-HFAKWTLXSA-N 1 2 376.507 2.396 20 0 GEADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000368976328 532936282 /nfs/dbraw/zinc/93/62/82/532936282.db2.gz VNMPNNHKOOTFIW-HFAKWTLXSA-N 1 2 376.507 2.396 20 0 GEADLO C[C@H](CNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)C[NH+](C)C ZINC000294439425 532939191 /nfs/dbraw/zinc/93/91/91/532939191.db2.gz ZANSYBYAGZIFML-CYBMUJFWSA-N 1 2 381.523 2.476 20 0 GEADLO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCO[C@@H](c3ccc(Cl)s3)C2)C1 ZINC000370353273 532943159 /nfs/dbraw/zinc/94/31/59/532943159.db2.gz KYYODZQHJMWEFC-CHWSQXEVSA-N 1 2 378.947 2.446 20 0 GEADLO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCO[C@@H](c3ccc(Cl)s3)C2)C1 ZINC000370353273 532943160 /nfs/dbraw/zinc/94/31/60/532943160.db2.gz KYYODZQHJMWEFC-CHWSQXEVSA-N 1 2 378.947 2.446 20 0 GEADLO COc1c(Br)cc(Br)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000370384448 532943197 /nfs/dbraw/zinc/94/31/97/532943197.db2.gz DDBZBPWLANGZLV-MNOVXSKESA-N 1 2 395.091 2.148 20 0 GEADLO COc1c(Br)cc(Br)cc1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000370384448 532943198 /nfs/dbraw/zinc/94/31/98/532943198.db2.gz DDBZBPWLANGZLV-MNOVXSKESA-N 1 2 395.091 2.148 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc1OC ZINC000369720380 532940688 /nfs/dbraw/zinc/94/06/88/532940688.db2.gz HNWULYPGZKGDST-MFKMUULPSA-N 1 2 385.258 2.397 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc1OC ZINC000369720380 532940689 /nfs/dbraw/zinc/94/06/89/532940689.db2.gz HNWULYPGZKGDST-MFKMUULPSA-N 1 2 385.258 2.397 20 0 GEADLO COc1ccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)cc1Br ZINC000369995347 532941726 /nfs/dbraw/zinc/94/17/26/532941726.db2.gz HYBDJUQNVWOIKA-UHFFFAOYSA-N 1 2 383.286 2.329 20 0 GEADLO Cc1cc(C[NH+]2CCC(N(C)C(=O)CSc3n[nH]c(=S)s3)CC2)on1 ZINC000370021339 532941831 /nfs/dbraw/zinc/94/18/31/532941831.db2.gz WUKCNPAFGCRHIN-UHFFFAOYSA-N 1 2 399.567 2.338 20 0 GEADLO CN(C)c1ccc(S(=O)(=O)NC2CC[NH+](Cc3cscn3)CC2)cc1 ZINC000370666823 532944777 /nfs/dbraw/zinc/94/47/77/532944777.db2.gz JANCTLAYDWUZML-UHFFFAOYSA-N 1 2 380.539 2.152 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCc2nnc(N)cc2C1 ZINC000370789959 532945385 /nfs/dbraw/zinc/94/53/85/532945385.db2.gz NIHWPMGVKVIJGH-JTQLQIEISA-N 1 2 376.258 2.207 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCc2nnc(N)cc2C1 ZINC000370789959 532945386 /nfs/dbraw/zinc/94/53/86/532945386.db2.gz NIHWPMGVKVIJGH-JTQLQIEISA-N 1 2 376.258 2.207 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000370953657 532946301 /nfs/dbraw/zinc/94/63/01/532946301.db2.gz OASTYAQWOGDGIG-WFASDCNBSA-N 1 2 385.917 2.132 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000370953657 532946302 /nfs/dbraw/zinc/94/63/02/532946302.db2.gz OASTYAQWOGDGIG-WFASDCNBSA-N 1 2 385.917 2.132 20 0 GEADLO CN(C(=O)c1cc(S(C)(=O)=O)cs1)C1CCN(c2cccc[nH+]2)CC1 ZINC000371326922 532947480 /nfs/dbraw/zinc/94/74/80/532947480.db2.gz SCAOYJIFWQTOLC-UHFFFAOYSA-N 1 2 379.507 2.288 20 0 GEADLO CCn1cc(C[NH+]2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 ZINC000371418048 532947948 /nfs/dbraw/zinc/94/79/48/532947948.db2.gz ZZNOQUYDWLQAJO-UHFFFAOYSA-N 1 2 382.917 2.499 20 0 GEADLO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000371056325 532946917 /nfs/dbraw/zinc/94/69/17/532946917.db2.gz RYDVGGJOOCRNTK-GHMZBOCLSA-N 1 2 378.466 2.443 20 0 GEADLO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000371056325 532946918 /nfs/dbraw/zinc/94/69/18/532946918.db2.gz RYDVGGJOOCRNTK-GHMZBOCLSA-N 1 2 378.466 2.443 20 0 GEADLO C[NH+](C)[C@]1(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCCSC1 ZINC000371249546 532947394 /nfs/dbraw/zinc/94/73/94/532947394.db2.gz KUFRKHMWBWJBMA-MRXNPFEDSA-N 1 2 390.958 2.057 20 0 GEADLO C[C@H](CCc1ccccc1F)C(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000276245337 524248690 /nfs/dbraw/zinc/24/86/90/524248690.db2.gz FPSISMQUNLALDV-NVXWUHKLSA-N 1 2 385.487 2.500 20 0 GEADLO C[C@H](CCc1ccccc1F)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000276245337 524248697 /nfs/dbraw/zinc/24/86/97/524248697.db2.gz FPSISMQUNLALDV-NVXWUHKLSA-N 1 2 385.487 2.500 20 0 GEADLO Cc1ccc(-c2cc(C(=O)N3CC[C@@H]([N@H+](C)Cc4nccc(N)n4)C3)on2)cc1 ZINC000276390247 525721466 /nfs/dbraw/zinc/72/14/66/525721466.db2.gz JSOHFCHCBBHHBQ-MRXNPFEDSA-N 1 2 392.463 2.369 20 0 GEADLO Cc1ccc(-c2cc(C(=O)N3CC[C@@H]([N@@H+](C)Cc4nccc(N)n4)C3)on2)cc1 ZINC000276390247 525721472 /nfs/dbraw/zinc/72/14/72/525721472.db2.gz JSOHFCHCBBHHBQ-MRXNPFEDSA-N 1 2 392.463 2.369 20 0 GEADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N[C@H]2CCN(c3cnn(C)c3)C2=O)nc[nH+]1 ZINC000275709968 570699017 /nfs/dbraw/zinc/69/90/17/570699017.db2.gz NZWDWIVPLRECBD-BXWFABGCSA-N 1 2 399.499 2.043 20 0 GEADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N[C@H]2CCN(c3cnn(C)c3)C2=O)[nH+]cn1 ZINC000275709968 570699020 /nfs/dbraw/zinc/69/90/20/570699020.db2.gz NZWDWIVPLRECBD-BXWFABGCSA-N 1 2 399.499 2.043 20 0 GEADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCO[C@@H](c3cnn(C)c3)C2)nc[nH+]1 ZINC000275799726 570700058 /nfs/dbraw/zinc/70/00/58/570700058.db2.gz USXSTBREAAXISH-QKLQHJQFSA-N 1 2 386.500 2.404 20 0 GEADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCO[C@@H](c3cnn(C)c3)C2)[nH+]cn1 ZINC000275799726 570700060 /nfs/dbraw/zinc/70/00/60/570700060.db2.gz USXSTBREAAXISH-QKLQHJQFSA-N 1 2 386.500 2.404 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736203908 598966317 /nfs/dbraw/zinc/96/63/17/598966317.db2.gz PCRWLPXHOISYIV-ZDUSSCGKSA-N 1 2 396.430 2.312 20 0 GEADLO NC(=O)[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737269 599087837 /nfs/dbraw/zinc/08/78/37/599087837.db2.gz QHVQFTLGVWHSHU-CQSZACIVSA-N 1 2 376.342 2.202 20 0 GEADLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(OC(F)F)cc1 ZINC000736125524 599088178 /nfs/dbraw/zinc/08/81/78/599088178.db2.gz KMBJYUUHNWVBQS-ZUZCIYMTSA-N 1 2 388.378 2.345 20 0 GEADLO Cc1cccc2c(NCc3ccc(-n4ccnc4)nc3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410278 599122905 /nfs/dbraw/zinc/12/29/05/599122905.db2.gz QYVMDYNWWKHNLE-UHFFFAOYSA-N 1 2 383.419 2.338 20 0 GEADLO O=C(CC1CCC1)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822940873 599150480 /nfs/dbraw/zinc/15/04/80/599150480.db2.gz IACBZTYNTATANZ-UHFFFAOYSA-N 1 2 377.452 2.254 20 0 GEADLO Cc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000737330274 599210897 /nfs/dbraw/zinc/21/08/97/599210897.db2.gz ITCPAVQRLLEMJE-INIZCTEOSA-N 1 2 382.424 2.170 20 0 GEADLO Cc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000737330274 599210901 /nfs/dbraw/zinc/21/09/01/599210901.db2.gz ITCPAVQRLLEMJE-INIZCTEOSA-N 1 2 382.424 2.170 20 0 GEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3sccc3-c3nn[nH]n3)CC2)cc1 ZINC000736781338 599224382 /nfs/dbraw/zinc/22/43/82/599224382.db2.gz YGQCWVVAUSFYCW-UHFFFAOYSA-N 1 2 397.508 2.393 20 0 GEADLO Cc1c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1-c1nn[nH]n1 ZINC000822068731 607320983 /nfs/dbraw/zinc/32/09/83/607320983.db2.gz UEIRMNXYTHMLSL-SFHVURJKSA-N 1 2 378.436 2.015 20 0 GEADLO Cc1c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1-c1nn[nH]n1 ZINC000822068731 607320984 /nfs/dbraw/zinc/32/09/84/607320984.db2.gz UEIRMNXYTHMLSL-SFHVURJKSA-N 1 2 378.436 2.015 20 0 GEADLO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000735560065 598256775 /nfs/dbraw/zinc/25/67/75/598256775.db2.gz OXRVMWFSGIMCED-KUHUBIRLSA-N 1 2 392.463 2.440 20 0 GEADLO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000735560065 598256776 /nfs/dbraw/zinc/25/67/76/598256776.db2.gz OXRVMWFSGIMCED-KUHUBIRLSA-N 1 2 392.463 2.440 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000737063608 598265682 /nfs/dbraw/zinc/26/56/82/598265682.db2.gz QIEBARXXWSKGLL-UHFFFAOYSA-N 1 2 382.428 2.284 20 0 GEADLO COc1cc(C[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C2CC2)ccc1O ZINC000737045613 598312665 /nfs/dbraw/zinc/31/26/65/598312665.db2.gz JFVNKTXJNBGIPC-UHFFFAOYSA-N 1 2 394.435 2.184 20 0 GEADLO COc1cc(C[N@@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C2CC2)ccc1O ZINC000737045613 598312667 /nfs/dbraw/zinc/31/26/67/598312667.db2.gz JFVNKTXJNBGIPC-UHFFFAOYSA-N 1 2 394.435 2.184 20 0 GEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000738102101 598319649 /nfs/dbraw/zinc/31/96/49/598319649.db2.gz NEPADIPLSNQMQN-UHFFFAOYSA-N 1 2 392.398 2.191 20 0 GEADLO Cc1nccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503783 598356289 /nfs/dbraw/zinc/35/62/89/598356289.db2.gz YYSDNGBHQFNIDI-CXAGYDPISA-N 1 2 380.456 2.036 20 0 GEADLO Cc1nccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503783 598356291 /nfs/dbraw/zinc/35/62/91/598356291.db2.gz YYSDNGBHQFNIDI-CXAGYDPISA-N 1 2 380.456 2.036 20 0 GEADLO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)C2)c1 ZINC000737443283 598370176 /nfs/dbraw/zinc/37/01/76/598370176.db2.gz IHALWVGJWUFBRT-ZFWWWQNUSA-N 1 2 398.471 2.246 20 0 GEADLO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)C2)c1 ZINC000737443283 598370178 /nfs/dbraw/zinc/37/01/78/598370178.db2.gz IHALWVGJWUFBRT-ZFWWWQNUSA-N 1 2 398.471 2.246 20 0 GEADLO Cc1csc(=Nc2ccccc2-c2nn[nH]n2)n1[C@H](C)C[NH+]1CCN(C)CC1 ZINC000737457586 598393401 /nfs/dbraw/zinc/39/34/01/598393401.db2.gz ZQEDMBHHTDKGQZ-CQSZACIVSA-N 1 2 398.540 2.079 20 0 GEADLO O=C(c1ccc(F)cc1F)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738267298 598397469 /nfs/dbraw/zinc/39/74/69/598397469.db2.gz LYGCYKYAZFSBIO-UHFFFAOYSA-N 1 2 384.390 2.103 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000735922239 598456621 /nfs/dbraw/zinc/45/66/21/598456621.db2.gz DFYKQSZGLGBAHY-UHFFFAOYSA-N 1 2 391.479 2.343 20 0 GEADLO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000736804624 598460815 /nfs/dbraw/zinc/46/08/15/598460815.db2.gz SKVSAWSNOIRPSV-UHFFFAOYSA-N 1 2 388.378 2.094 20 0 GEADLO C[N@@H+](CCOc1ccccc1-c1nn[nH]n1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000736804624 598460817 /nfs/dbraw/zinc/46/08/17/598460817.db2.gz SKVSAWSNOIRPSV-UHFFFAOYSA-N 1 2 388.378 2.094 20 0 GEADLO C[C@@H]1C[N@H+](CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)CCCO1 ZINC000736284786 598462489 /nfs/dbraw/zinc/46/24/89/598462489.db2.gz GCZUTQDCXBCRBR-GFCCVEGCSA-N 1 2 390.513 2.246 20 0 GEADLO C[C@@H]1C[N@@H+](CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)CCCO1 ZINC000736284786 598462491 /nfs/dbraw/zinc/46/24/91/598462491.db2.gz GCZUTQDCXBCRBR-GFCCVEGCSA-N 1 2 390.513 2.246 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCN(C)c3ccccc3C2)c(-c2nn[nH]n2)c1C ZINC000737548937 598526386 /nfs/dbraw/zinc/52/63/86/598526386.db2.gz RJZMFMJMGPJKOQ-ZDUSSCGKSA-N 1 2 395.467 2.356 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCN(C)c3ccccc3C2)c(-c2nn[nH]n2)c1C ZINC000737548937 598526388 /nfs/dbraw/zinc/52/63/88/598526388.db2.gz RJZMFMJMGPJKOQ-ZDUSSCGKSA-N 1 2 395.467 2.356 20 0 GEADLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C1 ZINC000736963379 598554588 /nfs/dbraw/zinc/55/45/88/598554588.db2.gz VDRSYBOYBJJRLO-GFCCVEGCSA-N 1 2 390.513 2.246 20 0 GEADLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C1 ZINC000736963379 598554589 /nfs/dbraw/zinc/55/45/89/598554589.db2.gz VDRSYBOYBJJRLO-GFCCVEGCSA-N 1 2 390.513 2.246 20 0 GEADLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1F ZINC000735524940 598556202 /nfs/dbraw/zinc/55/62/02/598556202.db2.gz GCXXZAAXDZOGCL-OAHLLOKOSA-N 1 2 394.454 2.454 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000736591560 598617634 /nfs/dbraw/zinc/61/76/34/598617634.db2.gz VSKBMAIASWSQFF-GOSISDBHSA-N 1 2 395.463 2.352 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000736591560 598617636 /nfs/dbraw/zinc/61/76/36/598617636.db2.gz VSKBMAIASWSQFF-GOSISDBHSA-N 1 2 395.463 2.352 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736590053 598617725 /nfs/dbraw/zinc/61/77/25/598617725.db2.gz DHRVTBAERZLGSU-IBGZPJMESA-N 1 2 395.463 2.352 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736590053 598617727 /nfs/dbraw/zinc/61/77/27/598617727.db2.gz DHRVTBAERZLGSU-IBGZPJMESA-N 1 2 395.463 2.352 20 0 GEADLO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000735734520 598669575 /nfs/dbraw/zinc/66/95/75/598669575.db2.gz MQTJEJGGMGXZRW-QAPCUYQASA-N 1 2 395.467 2.330 20 0 GEADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737120857 598754521 /nfs/dbraw/zinc/75/45/21/598754521.db2.gz IAJBMOYBZDDBGO-OAHLLOKOSA-N 1 2 392.463 2.394 20 0 GEADLO C[C@@H]1CCC[C@H](OCC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736260028 598792752 /nfs/dbraw/zinc/79/27/52/598792752.db2.gz GYPHTFYTXZGPHI-APWZRJJASA-N 1 2 398.511 2.106 20 0 GEADLO CC(C)c1cc(NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)no1 ZINC000820187468 599293623 /nfs/dbraw/zinc/29/36/23/599293623.db2.gz CHDBVVUYRHUACZ-UHFFFAOYSA-N 1 2 396.455 2.328 20 0 GEADLO CC(C)N(C)C(=O)C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000820111621 599473131 /nfs/dbraw/zinc/47/31/31/599473131.db2.gz CJLHXBGTPCCOMK-UHFFFAOYSA-N 1 2 379.468 2.498 20 0 GEADLO CCC(CC)[C@H](C(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCOCC1 ZINC000820892932 599509612 /nfs/dbraw/zinc/50/96/12/599509612.db2.gz HBDWBXNBFZJRJS-RDTXWAMCSA-N 1 2 386.500 2.181 20 0 GEADLO CCC(CC)[C@@H](C(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCOCC1 ZINC000820892926 599509654 /nfs/dbraw/zinc/50/96/54/599509654.db2.gz HBDWBXNBFZJRJS-KDOFPFPSSA-N 1 2 386.500 2.181 20 0 GEADLO CNc1cc(N2CCC[C@@H]2CNc2ccc(-c3nn[nH]n3)c(Cl)c2)nc[nH+]1 ZINC000821637460 599531752 /nfs/dbraw/zinc/53/17/52/599531752.db2.gz GVLWFTVNRUTPLI-GFCCVEGCSA-N 1 2 385.863 2.433 20 0 GEADLO c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000823791446 599543547 /nfs/dbraw/zinc/54/35/47/599543547.db2.gz CWIMKEBZAKNBQB-CYBMUJFWSA-N 1 2 387.451 2.337 20 0 GEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737339796 599551043 /nfs/dbraw/zinc/55/10/43/599551043.db2.gz BLTZZJRULWMXPJ-UHFFFAOYSA-N 1 2 392.463 2.189 20 0 GEADLO Cc1[nH+]c2n(c1C)CCN(C(=O)[C@H](Oc1ccccc1-c1nn[nH]n1)C(C)C)C2 ZINC000737490310 599572680 /nfs/dbraw/zinc/57/26/80/599572680.db2.gz SORXHOJRFYPDDY-GOSISDBHSA-N 1 2 395.467 2.126 20 0 GEADLO CCc1nc(CN2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)cs1 ZINC000736704838 599581101 /nfs/dbraw/zinc/58/11/01/599581101.db2.gz USBLHXHZMDKBCT-UHFFFAOYSA-N 1 2 387.488 2.343 20 0 GEADLO C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000736214006 600093639 /nfs/dbraw/zinc/09/36/39/600093639.db2.gz HXOYXZQJUNGQOI-NVXWUHKLSA-N 1 2 382.464 2.219 20 0 GEADLO C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000736214006 600093642 /nfs/dbraw/zinc/09/36/42/600093642.db2.gz HXOYXZQJUNGQOI-NVXWUHKLSA-N 1 2 382.464 2.219 20 0 GEADLO C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000736214007 600094052 /nfs/dbraw/zinc/09/40/52/600094052.db2.gz HXOYXZQJUNGQOI-RDJZCZTQSA-N 1 2 382.464 2.219 20 0 GEADLO C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000736214007 600094053 /nfs/dbraw/zinc/09/40/53/600094053.db2.gz HXOYXZQJUNGQOI-RDJZCZTQSA-N 1 2 382.464 2.219 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736785363 600284983 /nfs/dbraw/zinc/28/49/83/600284983.db2.gz SFLZIWIMASBXHC-KZNAEPCWSA-N 1 2 379.545 2.285 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736785363 600284986 /nfs/dbraw/zinc/28/49/86/600284986.db2.gz SFLZIWIMASBXHC-KZNAEPCWSA-N 1 2 379.545 2.285 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000736785363 600284989 /nfs/dbraw/zinc/28/49/89/600284989.db2.gz SFLZIWIMASBXHC-KZNAEPCWSA-N 1 2 379.545 2.285 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000736785363 600284990 /nfs/dbraw/zinc/28/49/90/600284990.db2.gz SFLZIWIMASBXHC-KZNAEPCWSA-N 1 2 379.545 2.285 20 0 GEADLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC000736722383 600332355 /nfs/dbraw/zinc/33/23/55/600332355.db2.gz CHLTZLFWMKWWIW-MJGOQNOKSA-N 1 2 385.508 2.079 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)c(-c2nn[nH]n2)c1C ZINC000826342159 607474194 /nfs/dbraw/zinc/47/41/94/607474194.db2.gz ZKLJLMOBQXEDKL-MLGOLLRUSA-N 1 2 396.451 2.339 20 0 GEADLO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)c(-c2nn[nH]n2)c1C ZINC000826342159 607474195 /nfs/dbraw/zinc/47/41/95/607474195.db2.gz ZKLJLMOBQXEDKL-MLGOLLRUSA-N 1 2 396.451 2.339 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000736797202 600955023 /nfs/dbraw/zinc/95/50/23/600955023.db2.gz JCFHUUQMTICUCG-ROUUACIJSA-N 1 2 379.545 2.142 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000736797202 600955025 /nfs/dbraw/zinc/95/50/25/600955025.db2.gz JCFHUUQMTICUCG-ROUUACIJSA-N 1 2 379.545 2.142 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000736797204 600955237 /nfs/dbraw/zinc/95/52/37/600955237.db2.gz JCFHUUQMTICUCG-ZWKOTPCHSA-N 1 2 379.545 2.142 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000736797204 600955238 /nfs/dbraw/zinc/95/52/38/600955238.db2.gz JCFHUUQMTICUCG-ZWKOTPCHSA-N 1 2 379.545 2.142 20 0 GEADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000825999329 607527123 /nfs/dbraw/zinc/52/71/23/607527123.db2.gz WWDYNOKREBDEPW-OAHLLOKOSA-N 1 2 391.439 2.160 20 0 GEADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000825999329 607527125 /nfs/dbraw/zinc/52/71/25/607527125.db2.gz WWDYNOKREBDEPW-OAHLLOKOSA-N 1 2 391.439 2.160 20 0 GEADLO CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000825331895 607568816 /nfs/dbraw/zinc/56/88/16/607568816.db2.gz CAQKCMFBSRKQSM-LBPRGKRZSA-N 1 2 375.502 2.064 20 0 GEADLO C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823654555 602924878 /nfs/dbraw/zinc/92/48/78/602924878.db2.gz KNBZCBDSOISQEF-VQIMIIECSA-N 1 2 390.528 2.116 20 0 GEADLO C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823654555 602924883 /nfs/dbraw/zinc/92/48/83/602924883.db2.gz KNBZCBDSOISQEF-VQIMIIECSA-N 1 2 390.528 2.116 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1F)C[NH+]1CCOCC1 ZINC000444067853 649933711 /nfs/dbraw/zinc/93/37/11/649933711.db2.gz DVVQZNKAEGKNAE-LLVKDONJSA-N 1 2 384.395 2.091 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000826183105 607634189 /nfs/dbraw/zinc/63/41/89/607634189.db2.gz DJFKEZUTGOPLKJ-HNNXBMFYSA-N 1 2 379.468 2.149 20 0 GEADLO Cc1ccncc1C[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826315942 607643461 /nfs/dbraw/zinc/64/34/61/607643461.db2.gz YZXDWZAKLHPRMY-UHFFFAOYSA-N 1 2 392.423 2.140 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](N(C)C(=O)[O-])C2)C1 ZINC000827890792 603849736 /nfs/dbraw/zinc/84/97/36/603849736.db2.gz UASSJMIFXNTEHP-JKSUJKDBSA-N 1 2 384.521 2.002 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](N(C)C(=O)[O-])C2)C1 ZINC000827890792 603849739 /nfs/dbraw/zinc/84/97/39/603849739.db2.gz UASSJMIFXNTEHP-JKSUJKDBSA-N 1 2 384.521 2.002 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](N(C)C(=O)[O-])C2)C1 ZINC000827890792 603849745 /nfs/dbraw/zinc/84/97/45/603849745.db2.gz UASSJMIFXNTEHP-JKSUJKDBSA-N 1 2 384.521 2.002 20 0 GEADLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](N(C)C(=O)[O-])C2)C1 ZINC000827890792 603849751 /nfs/dbraw/zinc/84/97/51/603849751.db2.gz UASSJMIFXNTEHP-JKSUJKDBSA-N 1 2 384.521 2.002 20 0 GEADLO C[C@]1([NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCC[C@H]1C(=O)[O-] ZINC000833573534 605063631 /nfs/dbraw/zinc/06/36/31/605063631.db2.gz SPYCMDDUAWQPJO-LPHOPBHVSA-N 1 2 379.526 2.015 20 0 GEADLO C[NH+]1CCC(CNC(=O)CN(C(=O)[O-])c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000828460007 605365134 /nfs/dbraw/zinc/36/51/34/605365134.db2.gz ONQDLKLODFPZPK-UHFFFAOYSA-N 1 2 388.512 2.238 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000445249543 649959409 /nfs/dbraw/zinc/95/94/09/649959409.db2.gz OFSXDVSJJPMDRT-CYBMUJFWSA-N 1 2 377.242 2.278 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000823229345 606018943 /nfs/dbraw/zinc/01/89/43/606018943.db2.gz MNSZMUUQIIFZOG-UHFFFAOYSA-N 1 2 393.382 2.494 20 0 GEADLO Cc1cccn2cc(CCNC(=O)N[C@@H](C)c3cccc(-c4nn[nH]n4)c3)[nH+]c12 ZINC000822366817 606117793 /nfs/dbraw/zinc/11/77/93/606117793.db2.gz ULBLOEFPMRRJIS-AWEZNQCLSA-N 1 2 390.451 2.426 20 0 GEADLO FC(F)(F)c1ccc2nnc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)n2c1 ZINC000822728417 606208927 /nfs/dbraw/zinc/20/89/27/606208927.db2.gz IJQWWYZNRHSBHW-UHFFFAOYSA-N 1 2 380.359 2.280 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCO[C@H](c2cnn(C)c2)C1 ZINC000822337171 606228104 /nfs/dbraw/zinc/22/81/04/606228104.db2.gz UXKXBLQDKBAZCX-INIZCTEOSA-N 1 2 376.424 2.035 20 0 GEADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(-c3nn[nH]n3)cn2C)C[C@H](C)O1 ZINC000820758831 606230972 /nfs/dbraw/zinc/23/09/72/606230972.db2.gz DOEAZQPMBGHXCY-KBPBESRZSA-N 1 2 395.467 2.067 20 0 GEADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820563607 606269526 /nfs/dbraw/zinc/26/95/26/606269526.db2.gz SEXHHBUMRPRUDE-HNNXBMFYSA-N 1 2 394.454 2.454 20 0 GEADLO CCc1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1O ZINC000821487887 606281857 /nfs/dbraw/zinc/28/18/57/606281857.db2.gz ZWESYRMYNCNYLM-UHFFFAOYSA-N 1 2 392.463 2.093 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000822010286 606291638 /nfs/dbraw/zinc/29/16/38/606291638.db2.gz WLYBCZSBGTVPOR-UHFFFAOYSA-N 1 2 376.380 2.016 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822010215 606291790 /nfs/dbraw/zinc/29/17/90/606291790.db2.gz SRKOOKROYSZHND-UHFFFAOYSA-N 1 2 389.419 2.407 20 0 GEADLO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000822535105 606295699 /nfs/dbraw/zinc/29/56/99/606295699.db2.gz GQGQOMKZWAVYEG-CYBMUJFWSA-N 1 2 395.423 2.185 20 0 GEADLO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)s1 ZINC000822389523 606310386 /nfs/dbraw/zinc/31/03/86/606310386.db2.gz ZNIUBBLPCAYYJO-MWLCHTKSSA-N 1 2 375.483 2.149 20 0 GEADLO CC[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821000837 606331689 /nfs/dbraw/zinc/33/16/89/606331689.db2.gz KBACLDPHOJFUPP-HOTGVXAUSA-N 1 2 383.500 2.144 20 0 GEADLO CC[C@H]1CN2CCCC[C@H]2C[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821000837 606331691 /nfs/dbraw/zinc/33/16/91/606331691.db2.gz KBACLDPHOJFUPP-HOTGVXAUSA-N 1 2 383.500 2.144 20 0 GEADLO O=C1[C@H]([NH+]2CCC(C(F)(F)F)CC2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504278 606331960 /nfs/dbraw/zinc/33/19/60/606331960.db2.gz OJAGTSQSHWLQLJ-LLVKDONJSA-N 1 2 386.403 2.308 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445889465 649966092 /nfs/dbraw/zinc/96/60/92/649966092.db2.gz ZWXQXBGNGIPQEF-CQSZACIVSA-N 1 2 399.285 2.226 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445889465 649966095 /nfs/dbraw/zinc/96/60/95/649966095.db2.gz ZWXQXBGNGIPQEF-CQSZACIVSA-N 1 2 399.285 2.226 20 0 GEADLO CCOC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821335183 606487243 /nfs/dbraw/zinc/48/72/43/606487243.db2.gz ZVNUUOQCOHRNPW-UHFFFAOYSA-N 1 2 396.398 2.132 20 0 GEADLO CCOC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821335183 606487244 /nfs/dbraw/zinc/48/72/44/606487244.db2.gz ZVNUUOQCOHRNPW-UHFFFAOYSA-N 1 2 396.398 2.132 20 0 GEADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)cs1)c1ccccc1 ZINC000822698834 606521608 /nfs/dbraw/zinc/52/16/08/606521608.db2.gz HMVJNFUWAMABQP-CQSZACIVSA-N 1 2 379.449 2.376 20 0 GEADLO Cc1cc(N2CCN(C(=O)c3cc(-c4nn[nH]n4)cs3)CC2)nc(C(C)C)[nH+]1 ZINC000822206891 606535602 /nfs/dbraw/zinc/53/56/02/606535602.db2.gz CASZLNLJOYDHEU-UHFFFAOYSA-N 1 2 398.496 2.112 20 0 GEADLO C[C@H](c1cccc(NC(=O)Cc2cccc(-c3nn[nH]n3)c2)c1)[NH+]1CCOCC1 ZINC000820563198 606552132 /nfs/dbraw/zinc/55/21/32/606552132.db2.gz ORNSGAXZOMVUGP-OAHLLOKOSA-N 1 2 392.463 2.441 20 0 GEADLO O=C1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CN1c1cccc(C(F)(F)F)c1 ZINC000823521602 606629356 /nfs/dbraw/zinc/62/93/56/606629356.db2.gz XQPZFTUTEQYZOY-LLVKDONJSA-N 1 2 392.341 2.374 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000821702436 606796989 /nfs/dbraw/zinc/79/69/89/606796989.db2.gz STSNYAOCYHHULV-CQSZACIVSA-N 1 2 389.456 2.060 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000821702436 606796990 /nfs/dbraw/zinc/79/69/90/606796990.db2.gz STSNYAOCYHHULV-CQSZACIVSA-N 1 2 389.456 2.060 20 0 GEADLO O[C@H](CN1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681924 606844787 /nfs/dbraw/zinc/84/47/87/606844787.db2.gz LLOROSYWCPHVDP-ANIGNSTFSA-N 1 2 390.491 2.231 20 0 GEADLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1 ZINC000822693805 606849313 /nfs/dbraw/zinc/84/93/13/606849313.db2.gz KMCUYECHLTYRLV-ROUUACIJSA-N 1 2 393.426 2.152 20 0 GEADLO Cc1ccccc1CN1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822361916 606849501 /nfs/dbraw/zinc/84/95/01/606849501.db2.gz KJPAUXPUHNXJAN-HXUWFJFHSA-N 1 2 378.480 2.026 20 0 GEADLO O=C(CCC1CCCC1)N1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822950634 606853146 /nfs/dbraw/zinc/85/31/46/606853146.db2.gz VTFUZRYSLUFKOH-LJQANCHMSA-N 1 2 398.511 2.015 20 0 GEADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823673990 606915495 /nfs/dbraw/zinc/91/54/95/606915495.db2.gz OJNTVFQZFHIFQL-APWZRJJASA-N 1 2 383.427 2.330 20 0 GEADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823673990 606915496 /nfs/dbraw/zinc/91/54/96/606915496.db2.gz OJNTVFQZFHIFQL-APWZRJJASA-N 1 2 383.427 2.330 20 0 GEADLO COc1cccc([C@H]2C[N@H+](CCOc3ccccc3-c3nn[nH]n3)CCO2)c1 ZINC000821864134 607076767 /nfs/dbraw/zinc/07/67/67/607076767.db2.gz UEABMZHPDVEXBK-LJQANCHMSA-N 1 2 381.436 2.328 20 0 GEADLO COc1cccc([C@H]2C[N@@H+](CCOc3ccccc3-c3nn[nH]n3)CCO2)c1 ZINC000821864134 607076769 /nfs/dbraw/zinc/07/67/69/607076769.db2.gz UEABMZHPDVEXBK-LJQANCHMSA-N 1 2 381.436 2.328 20 0 GEADLO CC(C)CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820096947 607089651 /nfs/dbraw/zinc/08/96/51/607089651.db2.gz IUMZUXPQHKKVHV-CYBMUJFWSA-N 1 2 378.864 2.206 20 0 GEADLO CC(C)CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000820096947 607089653 /nfs/dbraw/zinc/08/96/53/607089653.db2.gz IUMZUXPQHKKVHV-CYBMUJFWSA-N 1 2 378.864 2.206 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](OCC(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822557018 607090852 /nfs/dbraw/zinc/09/08/52/607090852.db2.gz FGAYIISSELLCTO-ZDUSSCGKSA-N 1 2 378.502 2.230 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](OCC(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822557018 607090854 /nfs/dbraw/zinc/09/08/54/607090854.db2.gz FGAYIISSELLCTO-ZDUSSCGKSA-N 1 2 378.502 2.230 20 0 GEADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820339515 607096567 /nfs/dbraw/zinc/09/65/67/607096567.db2.gz DIAKOCXYENAGKQ-JKIFEVAISA-N 1 2 380.456 2.417 20 0 GEADLO CCCC1(CNC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000821034621 607124932 /nfs/dbraw/zinc/12/49/32/607124932.db2.gz PVMGNIADNWGCAT-UHFFFAOYSA-N 1 2 383.500 2.274 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822997357 607177885 /nfs/dbraw/zinc/17/78/85/607177885.db2.gz PUMAAPKTENTYON-AWEZNQCLSA-N 1 2 383.481 2.443 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822997357 607177886 /nfs/dbraw/zinc/17/78/86/607177886.db2.gz PUMAAPKTENTYON-AWEZNQCLSA-N 1 2 383.481 2.443 20 0 GEADLO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000823315000 607189510 /nfs/dbraw/zinc/18/95/10/607189510.db2.gz WBARREMTEWKBJJ-QGZVFWFLSA-N 1 2 398.854 2.360 20 0 GEADLO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000823315000 607189511 /nfs/dbraw/zinc/18/95/11/607189511.db2.gz WBARREMTEWKBJJ-QGZVFWFLSA-N 1 2 398.854 2.360 20 0 GEADLO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000826375710 607810752 /nfs/dbraw/zinc/81/07/52/607810752.db2.gz ZBFBFOCECHGDIA-LLVKDONJSA-N 1 2 394.389 2.201 20 0 GEADLO CC[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)Cc1ccccc1C ZINC000825424435 607815529 /nfs/dbraw/zinc/81/55/29/607815529.db2.gz HCGTULWDMHWBHV-UHFFFAOYSA-N 1 2 385.493 2.471 20 0 GEADLO CC[N@@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)Cc1ccccc1C ZINC000825424435 607815530 /nfs/dbraw/zinc/81/55/30/607815530.db2.gz HCGTULWDMHWBHV-UHFFFAOYSA-N 1 2 385.493 2.471 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826028782 607855682 /nfs/dbraw/zinc/85/56/82/607855682.db2.gz HYZKKMMJSYLAAA-WFASDCNBSA-N 1 2 389.822 2.163 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826028782 607855683 /nfs/dbraw/zinc/85/56/83/607855683.db2.gz HYZKKMMJSYLAAA-WFASDCNBSA-N 1 2 389.822 2.163 20 0 GEADLO O=C(Nc1cc(-c2nn[nH]n2)ccc1O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000826450860 607999161 /nfs/dbraw/zinc/99/91/61/607999161.db2.gz GYTZFVXYAWYBOU-MRXNPFEDSA-N 1 2 382.399 2.315 20 0 GEADLO O=C(Nc1cc(-c2nn[nH]n2)ccc1O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000826450860 607999162 /nfs/dbraw/zinc/99/91/62/607999162.db2.gz GYTZFVXYAWYBOU-MRXNPFEDSA-N 1 2 382.399 2.315 20 0 GEADLO O[C@H](C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)c(F)c1 ZINC000826503459 608066805 /nfs/dbraw/zinc/06/68/05/608066805.db2.gz YAYJUJBBRPKDCU-QZTJIDSGSA-N 1 2 387.390 2.252 20 0 GEADLO O[C@H](C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)c(F)c1 ZINC000826503459 608066806 /nfs/dbraw/zinc/06/68/06/608066806.db2.gz YAYJUJBBRPKDCU-QZTJIDSGSA-N 1 2 387.390 2.252 20 0 GEADLO Cn1c2ccccc2[nH+]c1NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826355695 608097316 /nfs/dbraw/zinc/09/73/16/608097316.db2.gz JPKTVWLSQBHIMI-UHFFFAOYSA-N 1 2 375.440 2.229 20 0 GEADLO O=C(OCCn1cc[nH+]c1)c1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000826463932 608253803 /nfs/dbraw/zinc/25/38/03/608253803.db2.gz ALCREODBCRBANT-UHFFFAOYSA-N 1 2 390.403 2.499 20 0 GEADLO O=C(OCCn1cc[nH+]c1)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000826463988 608254548 /nfs/dbraw/zinc/25/45/48/608254548.db2.gz CWQPUFXFWSMZCT-UHFFFAOYSA-N 1 2 380.364 2.092 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc[nH]c(=O)c1Br ZINC000446231280 649974925 /nfs/dbraw/zinc/97/49/25/649974925.db2.gz JVUBIYZZZJXYKH-UHFFFAOYSA-N 1 2 393.241 2.342 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000826169723 608369251 /nfs/dbraw/zinc/36/92/51/608369251.db2.gz BVNIADFBSFGVJV-RBUKOAKNSA-N 1 2 395.463 2.200 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000826169723 608369253 /nfs/dbraw/zinc/36/92/53/608369253.db2.gz BVNIADFBSFGVJV-RBUKOAKNSA-N 1 2 395.463 2.200 20 0 GEADLO O=C(C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)NCc1ccc(F)cc1 ZINC000826410450 608462482 /nfs/dbraw/zinc/46/24/82/608462482.db2.gz NXONAVXGLLWNHC-UHFFFAOYSA-N 1 2 392.438 2.411 20 0 GEADLO O=C(C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)NCc1ccc(F)cc1 ZINC000826410450 608462484 /nfs/dbraw/zinc/46/24/84/608462484.db2.gz NXONAVXGLLWNHC-UHFFFAOYSA-N 1 2 392.438 2.411 20 0 GEADLO c1nc(C2CCC2)sc1C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826513670 608514103 /nfs/dbraw/zinc/51/41/03/608514103.db2.gz RZWCUMAQAQXMPB-UHFFFAOYSA-N 1 2 382.497 2.308 20 0 GEADLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824807331 608562205 /nfs/dbraw/zinc/56/22/05/608562205.db2.gz IJBACJCOGFVWFR-UHFFFAOYSA-N 1 2 384.406 2.204 20 0 GEADLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824807331 608562207 /nfs/dbraw/zinc/56/22/07/608562207.db2.gz IJBACJCOGFVWFR-UHFFFAOYSA-N 1 2 384.406 2.204 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000824999824 608838885 /nfs/dbraw/zinc/83/88/85/608838885.db2.gz KJNFFIMAAMMFDK-NSHDSACASA-N 1 2 388.838 2.160 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000824999824 608838888 /nfs/dbraw/zinc/83/88/88/608838888.db2.gz KJNFFIMAAMMFDK-NSHDSACASA-N 1 2 388.838 2.160 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000825001350 608838910 /nfs/dbraw/zinc/83/89/10/608838910.db2.gz ZQGUDKNZNMMYJB-SFAKSCPVSA-N 1 2 380.431 2.020 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000825001350 608838911 /nfs/dbraw/zinc/83/89/11/608838911.db2.gz ZQGUDKNZNMMYJB-SFAKSCPVSA-N 1 2 380.431 2.020 20 0 GEADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1OC ZINC000826194960 608853318 /nfs/dbraw/zinc/85/33/18/608853318.db2.gz CBLDYUQPVQVOOI-LJQANCHMSA-N 1 2 381.436 2.457 20 0 GEADLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1OC ZINC000826194960 608853322 /nfs/dbraw/zinc/85/33/22/608853322.db2.gz CBLDYUQPVQVOOI-LJQANCHMSA-N 1 2 381.436 2.457 20 0 GEADLO O=C(c1[nH]nc2ccc(I)cc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446365885 649979172 /nfs/dbraw/zinc/97/91/72/649979172.db2.gz CYMSPRLTBSJKJY-PHIMTYICSA-N 1 2 396.232 2.134 20 0 GEADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c(C)c1 ZINC000826284596 609228607 /nfs/dbraw/zinc/22/86/07/609228607.db2.gz YLFDUKVFQJZRCZ-QGZVFWFLSA-N 1 2 376.424 2.179 20 0 GEADLO Fc1ccc(-n2cnc3c2CC[N@H+](Cc2ccnc(-c4nn[nH]n4)c2)C3)cc1 ZINC000826373659 609297942 /nfs/dbraw/zinc/29/79/42/609297942.db2.gz VMNAYMQPHINZGV-UHFFFAOYSA-N 1 2 376.399 2.145 20 0 GEADLO Fc1ccc(-n2cnc3c2CC[N@@H+](Cc2ccnc(-c4nn[nH]n4)c2)C3)cc1 ZINC000826373659 609297943 /nfs/dbraw/zinc/29/79/43/609297943.db2.gz VMNAYMQPHINZGV-UHFFFAOYSA-N 1 2 376.399 2.145 20 0 GEADLO C[C@@H](NCc1cccnc1N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824626101 609330834 /nfs/dbraw/zinc/33/08/34/609330834.db2.gz LXABCSVCCKEKSZ-CQSZACIVSA-N 1 2 396.474 2.003 20 0 GEADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000824991440 609439698 /nfs/dbraw/zinc/43/96/98/609439698.db2.gz BBPVNOUTGBIQCP-STQMWFEESA-N 1 2 381.440 2.056 20 0 GEADLO CCOc1ccc(-c2cn(C3C[NH+](Cc4ccc(-c5nn[nH]n5)o4)C3)nn2)cc1 ZINC000825620958 609494767 /nfs/dbraw/zinc/49/47/67/609494767.db2.gz KDZVOIQMUQUJRY-UHFFFAOYSA-N 1 2 392.423 2.174 20 0 GEADLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826260404 609576870 /nfs/dbraw/zinc/57/68/70/609576870.db2.gz MRPDNSJBECFDSF-UHFFFAOYSA-N 1 2 385.391 2.261 20 0 GEADLO CCc1nc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cs1 ZINC000825744876 609599534 /nfs/dbraw/zinc/59/95/34/609599534.db2.gz GJQNNYKATXDSGE-OAHLLOKOSA-N 1 2 383.481 2.171 20 0 GEADLO C[NH+](C)Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000446823962 649989541 /nfs/dbraw/zinc/98/95/41/649989541.db2.gz CGDZGMYKNHFXAE-UHFFFAOYSA-N 1 2 385.848 2.440 20 0 GEADLO COCC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000447277553 650004754 /nfs/dbraw/zinc/00/47/54/650004754.db2.gz JBZZURYYGGXEGX-CYBMUJFWSA-N 1 2 380.432 2.437 20 0 GEADLO O=C(Cc1cccc(Cl)c1Cl)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000447565386 650007311 /nfs/dbraw/zinc/00/73/11/650007311.db2.gz KXMFRWYVRVNQEB-OAHLLOKOSA-N 1 2 387.307 2.486 20 0 GEADLO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC000447726535 650008434 /nfs/dbraw/zinc/00/84/34/650008434.db2.gz GEMFLEFACOKDTB-UHFFFAOYSA-N 1 2 379.404 2.053 20 0 GEADLO O=C1C[C@H]([N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)C(=O)N1CC(F)(F)F ZINC000448557823 650016684 /nfs/dbraw/zinc/01/66/84/650016684.db2.gz WJOHODWTKDERDF-STQMWFEESA-N 1 2 376.762 2.483 20 0 GEADLO O=C1C[C@H]([N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)C(=O)N1CC(F)(F)F ZINC000448557823 650016685 /nfs/dbraw/zinc/01/66/85/650016685.db2.gz WJOHODWTKDERDF-STQMWFEESA-N 1 2 376.762 2.483 20 0 GEADLO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)c(F)cc1O ZINC000448915006 650025325 /nfs/dbraw/zinc/02/53/25/650025325.db2.gz ZBAOKDLBEANZDV-SNVBAGLBSA-N 1 2 375.238 2.134 20 0 GEADLO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)c(F)cc1O ZINC000448915006 650025326 /nfs/dbraw/zinc/02/53/26/650025326.db2.gz ZBAOKDLBEANZDV-SNVBAGLBSA-N 1 2 375.238 2.134 20 0 GEADLO C[C@H](C[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449026320 650030058 /nfs/dbraw/zinc/03/00/58/650030058.db2.gz FKAWXJIOCKNOLY-JLSDUUJJSA-N 1 2 387.567 2.481 20 0 GEADLO C[C@H](C[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449026320 650030060 /nfs/dbraw/zinc/03/00/60/650030060.db2.gz FKAWXJIOCKNOLY-JLSDUUJJSA-N 1 2 387.567 2.481 20 0 GEADLO C[C@H](C[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449026324 650030075 /nfs/dbraw/zinc/03/00/75/650030075.db2.gz FKAWXJIOCKNOLY-ZTFGCOKTSA-N 1 2 387.567 2.481 20 0 GEADLO C[C@H](C[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449026324 650030076 /nfs/dbraw/zinc/03/00/76/650030076.db2.gz FKAWXJIOCKNOLY-ZTFGCOKTSA-N 1 2 387.567 2.481 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccnc2c(Br)cccc12 ZINC000449035739 650030673 /nfs/dbraw/zinc/03/06/73/650030673.db2.gz PTGKGCCVQVWEBN-LBPRGKRZSA-N 1 2 384.299 2.250 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccnc2c(Br)cccc12 ZINC000449035739 650030675 /nfs/dbraw/zinc/03/06/75/650030675.db2.gz PTGKGCCVQVWEBN-LBPRGKRZSA-N 1 2 384.299 2.250 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449032807 650030683 /nfs/dbraw/zinc/03/06/83/650030683.db2.gz ZJINWOPLXWBLFN-GFCCVEGCSA-N 1 2 384.299 2.121 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449032807 650030686 /nfs/dbraw/zinc/03/06/86/650030686.db2.gz ZJINWOPLXWBLFN-GFCCVEGCSA-N 1 2 384.299 2.121 20 0 GEADLO Cn1ncc(Br)c1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000449151855 650032974 /nfs/dbraw/zinc/03/29/74/650032974.db2.gz BVLLCHURMNAGHA-UHFFFAOYSA-N 1 2 379.258 2.267 20 0 GEADLO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1nn(C)cc1Br ZINC000449487191 650041743 /nfs/dbraw/zinc/04/17/43/650041743.db2.gz WVNGUGHLBBUIEX-QMMMGPOBSA-N 1 2 377.084 2.320 20 0 GEADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc2scc(Br)c2c1 ZINC000450190323 650061758 /nfs/dbraw/zinc/06/17/58/650061758.db2.gz ZHPQKPXJQGMVPF-GFCCVEGCSA-N 1 2 380.311 2.393 20 0 GEADLO CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000450227508 650062459 /nfs/dbraw/zinc/06/24/59/650062459.db2.gz QLXUAQCIOUJESU-CQSZACIVSA-N 1 2 380.432 2.173 20 0 GEADLO COC(=O)CN1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450246596 650062804 /nfs/dbraw/zinc/06/28/04/650062804.db2.gz VCXVDSAUNTXPNQ-UHFFFAOYSA-N 1 2 382.233 2.431 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccsc2Br)C[C@@H]1C ZINC000450592264 650067715 /nfs/dbraw/zinc/06/77/15/650067715.db2.gz OTXWEXNHGUFMFJ-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccsc2Br)C[C@@H]1C ZINC000450592264 650067719 /nfs/dbraw/zinc/06/77/19/650067719.db2.gz OTXWEXNHGUFMFJ-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO CC(C)C[C@H](CNS(=O)(=O)C[C@@H]1CCCCC1(F)F)[NH+]1CCOCC1 ZINC000451012595 650080121 /nfs/dbraw/zinc/08/01/21/650080121.db2.gz DIQXTWKUSIVCQG-JKSUJKDBSA-N 1 2 382.517 2.478 20 0 GEADLO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000451094409 650085389 /nfs/dbraw/zinc/08/53/89/650085389.db2.gz PYQNXRZMZOUOPP-UHFFFAOYSA-N 1 2 378.416 2.430 20 0 GEADLO CO[C@@H](CS(=O)(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000451104465 650087031 /nfs/dbraw/zinc/08/70/31/650087031.db2.gz KMATWXLFOQHPGF-KRWDZBQOSA-N 1 2 380.535 2.413 20 0 GEADLO CO[C@@H](CS(=O)(=O)NCC[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000451104465 650087036 /nfs/dbraw/zinc/08/70/36/650087036.db2.gz KMATWXLFOQHPGF-KRWDZBQOSA-N 1 2 380.535 2.413 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC[N@@H+]1CCOC ZINC000451206747 650096274 /nfs/dbraw/zinc/09/62/74/650096274.db2.gz HCPSDGAROLRUQT-SLTAFYQDSA-N 1 2 386.480 2.480 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC[N@H+]1CCOC ZINC000451206747 650096277 /nfs/dbraw/zinc/09/62/77/650096277.db2.gz HCPSDGAROLRUQT-SLTAFYQDSA-N 1 2 386.480 2.480 20 0 GEADLO CCOC[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000451361792 650107387 /nfs/dbraw/zinc/10/73/87/650107387.db2.gz OZZHEDJAILQWEH-JCURWCKSSA-N 1 2 376.469 2.302 20 0 GEADLO CCOC[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000451361792 650107390 /nfs/dbraw/zinc/10/73/90/650107390.db2.gz OZZHEDJAILQWEH-JCURWCKSSA-N 1 2 376.469 2.302 20 0 GEADLO Cc1nc(N2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc[nH+]1 ZINC000451392153 650110477 /nfs/dbraw/zinc/11/04/77/650110477.db2.gz GADMWZBVHJZVJQ-UHFFFAOYSA-N 1 2 384.864 2.230 20 0 GEADLO COC(=O)[C@@H]1C[N@H+](Cc2scnc2C)[C@@H](C)CN1Cc1scnc1C ZINC000451726556 650136104 /nfs/dbraw/zinc/13/61/04/650136104.db2.gz PAACHYARYGAGAB-FZMZJTMJSA-N 1 2 380.539 2.464 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+](Cc2scnc2C)[C@@H](C)CN1Cc1scnc1C ZINC000451726556 650136106 /nfs/dbraw/zinc/13/61/06/650136106.db2.gz PAACHYARYGAGAB-FZMZJTMJSA-N 1 2 380.539 2.464 20 0 GEADLO O=C([C@@H](O)C1CCC1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000451897767 650150783 /nfs/dbraw/zinc/15/07/83/650150783.db2.gz DTDAGYQBYIBUPP-HNNXBMFYSA-N 1 2 382.258 2.428 20 0 GEADLO COC[C@]1(CO)CC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000451934657 650155239 /nfs/dbraw/zinc/15/52/39/650155239.db2.gz VOYXFKLBYVFQGB-QGZVFWFLSA-N 1 2 396.285 2.254 20 0 GEADLO COC[C@]1(CO)CC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000451934657 650155242 /nfs/dbraw/zinc/15/52/42/650155242.db2.gz VOYXFKLBYVFQGB-QGZVFWFLSA-N 1 2 396.285 2.254 20 0 GEADLO C[C@H](C(=O)N1CC[C@H](c2cccc(Br)c2)C1)[NH+]1CCN(C)CC1 ZINC000452852057 650199477 /nfs/dbraw/zinc/19/94/77/650199477.db2.gz RZYKHSNTKAQLSR-ZBFHGGJFSA-N 1 2 380.330 2.401 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2ccc(Br)cc2Cl)C1 ZINC000454443409 650266781 /nfs/dbraw/zinc/26/67/81/650266781.db2.gz RIWVLWRLFKUCKI-ZDUSSCGKSA-N 1 2 390.709 2.275 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)NCCc2ccc(Br)cc2Cl)C1 ZINC000454443409 650266786 /nfs/dbraw/zinc/26/67/86/650266786.db2.gz RIWVLWRLFKUCKI-ZDUSSCGKSA-N 1 2 390.709 2.275 20 0 GEADLO C[C@@H](CCS(C)(=O)=O)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454687426 650275892 /nfs/dbraw/zinc/27/58/92/650275892.db2.gz SZVFDQIGXDOLAQ-LBPRGKRZSA-N 1 2 384.889 2.148 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)C[C@@H]21 ZINC000456072450 650329640 /nfs/dbraw/zinc/32/96/40/650329640.db2.gz SSTQMXZGPASRFE-VVLHAWIVSA-N 1 2 379.298 2.484 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)C[C@@H]21 ZINC000456072450 650329642 /nfs/dbraw/zinc/32/96/42/650329642.db2.gz SSTQMXZGPASRFE-VVLHAWIVSA-N 1 2 379.298 2.484 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456215334 650334214 /nfs/dbraw/zinc/33/42/14/650334214.db2.gz TZYKCWMDNFAGLJ-AOOOYVTPSA-N 1 2 391.331 2.355 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456215334 650334216 /nfs/dbraw/zinc/33/42/16/650334216.db2.gz TZYKCWMDNFAGLJ-AOOOYVTPSA-N 1 2 391.331 2.355 20 0 GEADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000500349785 650375590 /nfs/dbraw/zinc/37/55/90/650375590.db2.gz ZXXBRYQVVKGYHS-AWEZNQCLSA-N 1 2 382.511 2.076 20 0 GEADLO O=C(COCc1cccc(Cl)c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000457475641 650379476 /nfs/dbraw/zinc/37/94/76/650379476.db2.gz ULRMCBQAOFMKRB-SFHVURJKSA-N 1 2 384.929 2.181 20 0 GEADLO Cc1ccc(C[C@@H](CO)CNC(=O)NCCn2cc[nH+]c2)cc1Br ZINC000457477730 650379604 /nfs/dbraw/zinc/37/96/04/650379604.db2.gz YAVACBAJCLCJRU-OAHLLOKOSA-N 1 2 395.301 2.104 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c1 ZINC000457870351 650387781 /nfs/dbraw/zinc/38/77/81/650387781.db2.gz ZJWUUPSWXDNWJP-LLVKDONJSA-N 1 2 381.263 2.439 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H](O)[C@H](C)C3)[nH+]c12 ZINC000501915418 650399118 /nfs/dbraw/zinc/39/91/18/650399118.db2.gz OEQIAKNWJZOAPI-DOMZBBRYSA-N 1 2 395.301 2.360 20 0 GEADLO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(S(C)(=O)=O)ccc1F ZINC000502319723 650405019 /nfs/dbraw/zinc/40/50/19/650405019.db2.gz KDLNVMDEOSCQTL-CYBMUJFWSA-N 1 2 385.482 2.181 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H](O)C[C@H](C)C3)[nH+]c12 ZINC000458670282 650406662 /nfs/dbraw/zinc/40/66/62/650406662.db2.gz QXCVAAFISWKHOZ-XHDPSFHLSA-N 1 2 395.301 2.360 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1cccc(Br)c1 ZINC000459147545 650419606 /nfs/dbraw/zinc/41/96/06/650419606.db2.gz JUQLUNIQMOBYEV-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO Cn1cc(N2CCC[C@H]([NH2+]Cc3cccc(O)c3Br)C2=O)cn1 ZINC000459411964 650423948 /nfs/dbraw/zinc/42/39/48/650423948.db2.gz MGBOSLQZIDDLGT-ZDUSSCGKSA-N 1 2 379.258 2.173 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000503988364 650425102 /nfs/dbraw/zinc/42/51/02/650425102.db2.gz CTJHJMNXEOKZOM-SNVBAGLBSA-N 1 2 377.229 2.107 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cccc(O)c3Br)C2)nn1 ZINC000459487432 650425873 /nfs/dbraw/zinc/42/58/73/650425873.db2.gz XOHKSTCTQJVBDV-LBPRGKRZSA-N 1 2 395.257 2.370 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cccc(O)c3Br)C2)nn1 ZINC000459487432 650425874 /nfs/dbraw/zinc/42/58/74/650425874.db2.gz XOHKSTCTQJVBDV-LBPRGKRZSA-N 1 2 395.257 2.370 20 0 GEADLO CN(Cc1nccc(N)n1)[C@@H]1CC[N@H+](Cc2cccc(O)c2Br)C1 ZINC000459523385 650427160 /nfs/dbraw/zinc/42/71/60/650427160.db2.gz VUAVESSGVBQNNX-CYBMUJFWSA-N 1 2 392.301 2.233 20 0 GEADLO CN(Cc1nccc(N)n1)[C@@H]1CC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000459523385 650427164 /nfs/dbraw/zinc/42/71/64/650427164.db2.gz VUAVESSGVBQNNX-CYBMUJFWSA-N 1 2 392.301 2.233 20 0 GEADLO Cn1nccc1[C@H](CO)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000459753813 650432293 /nfs/dbraw/zinc/43/22/93/650432293.db2.gz MFKJOGZLJKYCKJ-LBPRGKRZSA-N 1 2 376.766 2.354 20 0 GEADLO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000505460087 650438084 /nfs/dbraw/zinc/43/80/84/650438084.db2.gz LFBKTZGAGCJUJA-DOTOQJQBSA-N 1 2 388.265 2.321 20 0 GEADLO CSCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000505519308 650438229 /nfs/dbraw/zinc/43/82/29/650438229.db2.gz DTKNHLQQMIGXFZ-HOTGVXAUSA-N 1 2 383.945 2.461 20 0 GEADLO CSCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000505519308 650438231 /nfs/dbraw/zinc/43/82/31/650438231.db2.gz DTKNHLQQMIGXFZ-HOTGVXAUSA-N 1 2 383.945 2.461 20 0 GEADLO CSCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000505519310 650438269 /nfs/dbraw/zinc/43/82/69/650438269.db2.gz DTKNHLQQMIGXFZ-JKSUJKDBSA-N 1 2 383.945 2.461 20 0 GEADLO CSCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000505519310 650438271 /nfs/dbraw/zinc/43/82/71/650438271.db2.gz DTKNHLQQMIGXFZ-JKSUJKDBSA-N 1 2 383.945 2.461 20 0 GEADLO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000505557083 650438931 /nfs/dbraw/zinc/43/89/31/650438931.db2.gz GIFXBAFQCJLPKD-RDJZCZTQSA-N 1 2 388.265 2.321 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000462022293 650464298 /nfs/dbraw/zinc/46/42/98/650464298.db2.gz ZRMSKXHOIUQZNE-NEPJUHHUSA-N 1 2 399.285 2.075 20 0 GEADLO COc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1Br ZINC000507935075 650469861 /nfs/dbraw/zinc/46/98/61/650469861.db2.gz JABTUDQMHTUKBX-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1Br ZINC000507935075 650469863 /nfs/dbraw/zinc/46/98/63/650469863.db2.gz JABTUDQMHTUKBX-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000507948381 650470103 /nfs/dbraw/zinc/47/01/03/650470103.db2.gz HXIDWLMCCXXHCT-HNNXBMFYSA-N 1 2 392.301 2.156 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000507987354 650472032 /nfs/dbraw/zinc/47/20/32/650472032.db2.gz XVXKVSCOGMXWQM-RYUDHWBXSA-N 1 2 382.507 2.401 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000507987354 650472035 /nfs/dbraw/zinc/47/20/35/650472035.db2.gz XVXKVSCOGMXWQM-RYUDHWBXSA-N 1 2 382.507 2.401 20 0 GEADLO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1CC ZINC000462335787 650475868 /nfs/dbraw/zinc/47/58/68/650475868.db2.gz NSQZWTXPATULPQ-LBPRGKRZSA-N 1 2 380.432 2.225 20 0 GEADLO CCOCC[N@H+]1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1CC ZINC000462335787 650475869 /nfs/dbraw/zinc/47/58/69/650475869.db2.gz NSQZWTXPATULPQ-LBPRGKRZSA-N 1 2 380.432 2.225 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000508891483 650484212 /nfs/dbraw/zinc/48/42/12/650484212.db2.gz UQWNOXYYQZKIDX-UHFFFAOYSA-N 1 2 392.264 2.345 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000509295030 650492811 /nfs/dbraw/zinc/49/28/11/650492811.db2.gz SVNUZCKRUCVZNY-ZDUSSCGKSA-N 1 2 388.917 2.420 20 0 GEADLO COC(=O)c1cccc(Cl)c1C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000509295030 650492812 /nfs/dbraw/zinc/49/28/12/650492812.db2.gz SVNUZCKRUCVZNY-ZDUSSCGKSA-N 1 2 388.917 2.420 20 0 GEADLO COc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1Br ZINC000464317483 650495377 /nfs/dbraw/zinc/49/53/77/650495377.db2.gz JPJKTPMQZGIMTL-CQSZACIVSA-N 1 2 383.286 2.395 20 0 GEADLO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000466933137 650499803 /nfs/dbraw/zinc/49/98/03/650499803.db2.gz NWEVPZLLDGCYMV-XHSDSOJGSA-N 1 2 384.567 2.384 20 0 GEADLO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000466933137 650499805 /nfs/dbraw/zinc/49/98/05/650499805.db2.gz NWEVPZLLDGCYMV-XHSDSOJGSA-N 1 2 384.567 2.384 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000468914519 650507969 /nfs/dbraw/zinc/50/79/69/650507969.db2.gz LJBCFHAYLLMBRV-IUODEOHRSA-N 1 2 383.286 2.104 20 0 GEADLO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCS(=O)(=O)N(C)C ZINC000510775616 650518627 /nfs/dbraw/zinc/51/86/27/650518627.db2.gz DMMLJUSDIPQHOF-ZDUSSCGKSA-N 1 2 375.332 2.477 20 0 GEADLO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1CCS(=O)(=O)N(C)C ZINC000510775616 650518628 /nfs/dbraw/zinc/51/86/28/650518628.db2.gz DMMLJUSDIPQHOF-ZDUSSCGKSA-N 1 2 375.332 2.477 20 0 GEADLO CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000510814046 650519586 /nfs/dbraw/zinc/51/95/86/650519586.db2.gz OZGVSKCVTNIARY-IAQYHMDHSA-N 1 2 384.889 2.428 20 0 GEADLO COCc1noc(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000510936308 650521358 /nfs/dbraw/zinc/52/13/58/650521358.db2.gz OPGIRUYCOYOQGG-UHFFFAOYSA-N 1 2 396.245 2.470 20 0 GEADLO CN(C)c1noc(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000510949031 650521621 /nfs/dbraw/zinc/52/16/21/650521621.db2.gz GDPCAULOKKDPFK-UHFFFAOYSA-N 1 2 395.261 2.390 20 0 GEADLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511078428 650525174 /nfs/dbraw/zinc/52/51/74/650525174.db2.gz AKTCGZTUBIXPTR-CHWSQXEVSA-N 1 2 384.527 2.463 20 0 GEADLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511078428 650525177 /nfs/dbraw/zinc/52/51/77/650525177.db2.gz AKTCGZTUBIXPTR-CHWSQXEVSA-N 1 2 384.527 2.463 20 0 GEADLO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000474097666 650527245 /nfs/dbraw/zinc/52/72/45/650527245.db2.gz RUKVSILWTYLYBO-ZWNOBZJWSA-N 1 2 389.315 2.124 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)c2ccc(Br)cn2)CCO1 ZINC000475242262 650529985 /nfs/dbraw/zinc/52/99/85/650529985.db2.gz FKTYPRWKHYWDHO-TZMCWYRMSA-N 1 2 385.306 2.315 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)c2ccc(Br)cn2)CCO1 ZINC000475242262 650529989 /nfs/dbraw/zinc/52/99/89/650529989.db2.gz FKTYPRWKHYWDHO-TZMCWYRMSA-N 1 2 385.306 2.315 20 0 GEADLO O=S(=O)(CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)c1ccc(F)cc1 ZINC000511629155 650539963 /nfs/dbraw/zinc/53/99/63/650539963.db2.gz OTWPGQSEZOLQIK-SWLSCSKDSA-N 1 2 383.407 2.482 20 0 GEADLO O=S(=O)(CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)c1ccc(F)cc1 ZINC000511629155 650539964 /nfs/dbraw/zinc/53/99/64/650539964.db2.gz OTWPGQSEZOLQIK-SWLSCSKDSA-N 1 2 383.407 2.482 20 0 GEADLO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H](C)[S@@]1=O ZINC000512449554 650549149 /nfs/dbraw/zinc/54/91/49/650549149.db2.gz IMRVVWMKLBWQEE-GMOJCLEJSA-N 1 2 390.343 2.420 20 0 GEADLO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H](C)[S@@]1=O ZINC000512449554 650549150 /nfs/dbraw/zinc/54/91/50/650549150.db2.gz IMRVVWMKLBWQEE-GMOJCLEJSA-N 1 2 390.343 2.420 20 0 GEADLO CC[C@@H]1CN(CC[C@H](C)[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@]1=O ZINC000512470500 650549439 /nfs/dbraw/zinc/54/94/39/650549439.db2.gz YUNBMSMOVCFIPB-QPOZKYRMSA-N 1 2 376.632 2.228 20 0 GEADLO CC[C@@H]1CN(CC[C@H](C)[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@]1=O ZINC000512470500 650549440 /nfs/dbraw/zinc/54/94/40/650549440.db2.gz YUNBMSMOVCFIPB-QPOZKYRMSA-N 1 2 376.632 2.228 20 0 GEADLO CC[C@@H]1CN([C@@H](C)CC[N@@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@]1=O ZINC000512470500 650549441 /nfs/dbraw/zinc/54/94/41/650549441.db2.gz YUNBMSMOVCFIPB-QPOZKYRMSA-N 1 2 376.632 2.228 20 0 GEADLO CC[C@@H]1CN([C@@H](C)CC[N@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@]1=O ZINC000512470500 650549443 /nfs/dbraw/zinc/54/94/43/650549443.db2.gz YUNBMSMOVCFIPB-QPOZKYRMSA-N 1 2 376.632 2.228 20 0 GEADLO O=C(Cc1ccc(Br)cc1O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000512735155 650553260 /nfs/dbraw/zinc/55/32/60/650553260.db2.gz NAFTXICVEDARLH-OAHLLOKOSA-N 1 2 376.254 2.265 20 0 GEADLO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2cscn2)c1 ZINC000513101095 650557874 /nfs/dbraw/zinc/55/78/74/650557874.db2.gz OXWRZIZSMUWMEB-UHFFFAOYSA-N 1 2 390.328 2.282 20 0 GEADLO Cn1c2ccc(C[NH2+][C@H](C(N)=O)c3cccc(Br)c3)cc2oc1=O ZINC000513350506 650561760 /nfs/dbraw/zinc/56/17/60/650561760.db2.gz FEKUHNVVPBYSRA-HNNXBMFYSA-N 1 2 390.237 2.210 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCc2cc(Br)ccc2C1 ZINC000478587120 650588211 /nfs/dbraw/zinc/58/82/11/650588211.db2.gz DFYNBEKOJGNQFP-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCc2cc(Br)ccc2C1 ZINC000478587120 650588215 /nfs/dbraw/zinc/58/82/15/650588215.db2.gz DFYNBEKOJGNQFP-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000515294533 650590920 /nfs/dbraw/zinc/59/09/20/650590920.db2.gz WWKGGDCMOPNNIE-CVEARBPZSA-N 1 2 382.917 2.177 20 0 GEADLO Cc1ccc(Br)cc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478878460 650592336 /nfs/dbraw/zinc/59/23/36/650592336.db2.gz ZMOMYZWKAVYGDZ-INIZCTEOSA-N 1 2 397.313 2.321 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)CCCC(C)(C)C)CC1 ZINC000516686541 650600575 /nfs/dbraw/zinc/60/05/75/650600575.db2.gz BPLVXJDWVSAGGN-UHFFFAOYSA-N 1 2 375.579 2.019 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)CCCC(C)(C)C)CC1 ZINC000516686541 650600576 /nfs/dbraw/zinc/60/05/76/650600576.db2.gz BPLVXJDWVSAGGN-UHFFFAOYSA-N 1 2 375.579 2.019 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000479277197 650600726 /nfs/dbraw/zinc/60/07/26/650600726.db2.gz GITUIAIVUDUEBI-SECBINFHSA-N 1 2 385.649 2.442 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000523151962 650632348 /nfs/dbraw/zinc/63/23/48/650632348.db2.gz JIARRPJHVQDLSS-LLVKDONJSA-N 1 2 394.269 2.153 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000523151962 650632350 /nfs/dbraw/zinc/63/23/50/650632350.db2.gz JIARRPJHVQDLSS-LLVKDONJSA-N 1 2 394.269 2.153 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c(Br)c1 ZINC000480905487 650637182 /nfs/dbraw/zinc/63/71/82/650637182.db2.gz YTKDYBRGLPYGLE-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c(Br)c1 ZINC000480905487 650637183 /nfs/dbraw/zinc/63/71/83/650637183.db2.gz YTKDYBRGLPYGLE-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO Cc1ccc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1I ZINC000524419884 650641023 /nfs/dbraw/zinc/64/10/23/650641023.db2.gz FNEROIPEQRYXQX-GFCCVEGCSA-N 1 2 388.249 2.050 20 0 GEADLO Cc1ccc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1I ZINC000524419884 650641027 /nfs/dbraw/zinc/64/10/27/650641027.db2.gz FNEROIPEQRYXQX-GFCCVEGCSA-N 1 2 388.249 2.050 20 0 GEADLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000481750721 650652306 /nfs/dbraw/zinc/65/23/06/650652306.db2.gz PFEFIBLVLNYFDT-GJZGRUSLSA-N 1 2 399.285 2.430 20 0 GEADLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000481750721 650652309 /nfs/dbraw/zinc/65/23/09/650652309.db2.gz PFEFIBLVLNYFDT-GJZGRUSLSA-N 1 2 399.285 2.430 20 0 GEADLO CN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000527337208 650673673 /nfs/dbraw/zinc/67/36/73/650673673.db2.gz RGVHFYZQOFAZKB-UKRRQHHQSA-N 1 2 398.301 2.245 20 0 GEADLO CN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000527337208 650673676 /nfs/dbraw/zinc/67/36/76/650673676.db2.gz RGVHFYZQOFAZKB-UKRRQHHQSA-N 1 2 398.301 2.245 20 0 GEADLO CC(C)COC[C@H](O)C[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483357004 650677256 /nfs/dbraw/zinc/67/72/56/650677256.db2.gz XLOSGWCVQKLWOD-QGZVFWFLSA-N 1 2 397.317 2.495 20 0 GEADLO CC(C)COC[C@H](O)C[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483357004 650677257 /nfs/dbraw/zinc/67/72/57/650677257.db2.gz XLOSGWCVQKLWOD-QGZVFWFLSA-N 1 2 397.317 2.495 20 0 GEADLO COc1nc(N2CC[NH+](Cc3ccnc(C)c3)CC2)ncc1Br ZINC000527536312 650677743 /nfs/dbraw/zinc/67/77/43/650677743.db2.gz WDHWENBPUAKQMI-UHFFFAOYSA-N 1 2 378.274 2.273 20 0 GEADLO C[C@@H]1C[NH+](C[C@@H](O)COc2ccc(Br)cc2)C[C@@H](C)S1=O ZINC000484717820 650689019 /nfs/dbraw/zinc/68/90/19/650689019.db2.gz VZCXPELBSWCXLG-YRGRVCCFSA-N 1 2 376.316 2.030 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000528356009 650690249 /nfs/dbraw/zinc/69/02/49/650690249.db2.gz ACVZCHVXEFGPBI-QWRGUYRKSA-N 1 2 382.404 2.307 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000528356009 650690251 /nfs/dbraw/zinc/69/02/51/650690251.db2.gz ACVZCHVXEFGPBI-QWRGUYRKSA-N 1 2 382.404 2.307 20 0 GEADLO C/C(Cl)=C/C[N@@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000528363345 650691189 /nfs/dbraw/zinc/69/11/89/650691189.db2.gz DKCYILWOZIFPNO-RZNTYIFUSA-N 1 2 386.901 2.297 20 0 GEADLO C/C(Cl)=C/C[N@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000528363345 650691192 /nfs/dbraw/zinc/69/11/92/650691192.db2.gz DKCYILWOZIFPNO-RZNTYIFUSA-N 1 2 386.901 2.297 20 0 GEADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]2C[C@@]2(C)Br)CC1 ZINC000529115491 650701428 /nfs/dbraw/zinc/70/14/28/650701428.db2.gz ARXIZSYNUUOSBA-MAUKXSAKSA-N 1 2 394.313 2.463 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000529753889 650706419 /nfs/dbraw/zinc/70/64/19/650706419.db2.gz UADRPOKDYBEPBW-KRWDZBQOSA-N 1 2 383.901 2.228 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000529753889 650706423 /nfs/dbraw/zinc/70/64/23/650706423.db2.gz UADRPOKDYBEPBW-KRWDZBQOSA-N 1 2 383.901 2.228 20 0 GEADLO Cc1ccc(Br)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529751807 650706449 /nfs/dbraw/zinc/70/64/49/650706449.db2.gz JKSQEIHZDJLDGH-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1ccc(Br)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529751807 650706453 /nfs/dbraw/zinc/70/64/53/650706453.db2.gz JKSQEIHZDJLDGH-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1Br ZINC000529754545 650706814 /nfs/dbraw/zinc/70/68/14/650706814.db2.gz WFWMTTGMZNNDLW-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1Br ZINC000529754545 650706817 /nfs/dbraw/zinc/70/68/17/650706817.db2.gz WFWMTTGMZNNDLW-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000530034000 650711165 /nfs/dbraw/zinc/71/11/65/650711165.db2.gz SUJBGMWOPYEOJK-KBPBESRZSA-N 1 2 379.309 2.290 20 0 GEADLO Cn1ncc(Br)c1C[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000487194447 650730334 /nfs/dbraw/zinc/73/03/34/650730334.db2.gz IEUZNQVJZVTWNK-AWEZNQCLSA-N 1 2 381.249 2.212 20 0 GEADLO C[C@H](CS(C)(=O)=O)N(C)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531078699 650734318 /nfs/dbraw/zinc/73/43/18/650734318.db2.gz DZZSWEYZQHRGHE-IUODEOHRSA-N 1 2 375.922 2.017 20 0 GEADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531079534 650734523 /nfs/dbraw/zinc/73/45/23/650734523.db2.gz CLOUFHWMEHOLTM-IOASZLSFSA-N 1 2 389.949 2.406 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488195147 650742667 /nfs/dbraw/zinc/74/26/67/650742667.db2.gz BQFWDWQRXHGOQP-UHFFFAOYSA-N 1 2 381.274 2.222 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488195147 650742676 /nfs/dbraw/zinc/74/26/76/650742676.db2.gz BQFWDWQRXHGOQP-UHFFFAOYSA-N 1 2 381.274 2.222 20 0 GEADLO CC(=O)N1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000011419746 642368663 /nfs/dbraw/zinc/36/86/63/642368663.db2.gz YZOCOYSGAGUOPG-ZDUSSCGKSA-N 1 2 382.302 2.181 20 0 GEADLO CC(=O)N1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000011419746 642368666 /nfs/dbraw/zinc/36/86/66/642368666.db2.gz YZOCOYSGAGUOPG-ZDUSSCGKSA-N 1 2 382.302 2.181 20 0 GEADLO O=S(=O)(NCC[NH+]1CCCCC1)c1cc(Br)c(F)cc1F ZINC000488861668 650751800 /nfs/dbraw/zinc/75/18/00/650751800.db2.gz ROSAJBMCMDLKOZ-UHFFFAOYSA-N 1 2 383.258 2.492 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccsc2)cc1S(=O)(=O)N(C)C ZINC000026301439 642431083 /nfs/dbraw/zinc/43/10/83/642431083.db2.gz RPKCFQNMTCUBKS-UHFFFAOYSA-N 1 2 381.523 2.377 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccsc2)cc1S(=O)(=O)N(C)C ZINC000026301439 642431090 /nfs/dbraw/zinc/43/10/90/642431090.db2.gz RPKCFQNMTCUBKS-UHFFFAOYSA-N 1 2 381.523 2.377 20 0 GEADLO CS(=O)(=O)N1CCC[N@H+](Cn2c3ccccc3nc2SC(F)F)CC1 ZINC000027088647 642439823 /nfs/dbraw/zinc/43/98/23/642439823.db2.gz SVNNHMUXYKRKKG-UHFFFAOYSA-N 1 2 390.481 2.276 20 0 GEADLO CS(=O)(=O)N1CCC[N@@H+](Cn2c3ccccc3nc2SC(F)F)CC1 ZINC000027088647 642439828 /nfs/dbraw/zinc/43/98/28/642439828.db2.gz SVNNHMUXYKRKKG-UHFFFAOYSA-N 1 2 390.481 2.276 20 0 GEADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000029157556 642458582 /nfs/dbraw/zinc/45/85/82/642458582.db2.gz GLGBIPONXDHXAM-LBPRGKRZSA-N 1 2 378.523 2.053 20 0 GEADLO COC(=O)c1cncc(S(=O)(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c1 ZINC000533039011 650755703 /nfs/dbraw/zinc/75/57/03/650755703.db2.gz HRMADZCAAWFNIF-UHFFFAOYSA-N 1 2 383.857 2.384 20 0 GEADLO Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000029439677 642464049 /nfs/dbraw/zinc/46/40/49/642464049.db2.gz SAVNAYMVMCSRPY-UHFFFAOYSA-N 1 2 388.225 2.048 20 0 GEADLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000029931192 642471639 /nfs/dbraw/zinc/47/16/39/642471639.db2.gz AGOQRQVVKVPJEQ-UHFFFAOYSA-N 1 2 391.269 2.274 20 0 GEADLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000029931192 642471651 /nfs/dbraw/zinc/47/16/51/642471651.db2.gz AGOQRQVVKVPJEQ-UHFFFAOYSA-N 1 2 391.269 2.274 20 0 GEADLO O=C(CN1CSCC1=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031896807 642491685 /nfs/dbraw/zinc/49/16/85/642491685.db2.gz IQYBDNVLCPWNQC-CQSZACIVSA-N 1 2 385.892 2.265 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(C(F)(F)F)nc1 ZINC000031937264 642492052 /nfs/dbraw/zinc/49/20/52/642492052.db2.gz VRBDKWBSAMXZGI-OAHLLOKOSA-N 1 2 375.416 2.038 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1sccc1-n1cccc1 ZINC000031937407 642492366 /nfs/dbraw/zinc/49/23/66/642492366.db2.gz WUGAEPMFJMIRFK-SFHVURJKSA-N 1 2 377.535 2.477 20 0 GEADLO COc1ccc(Cl)cc1CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031938963 642492393 /nfs/dbraw/zinc/49/23/93/642492393.db2.gz NYNRKXQLISTXEO-GOSISDBHSA-N 1 2 384.929 2.215 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc2c(c(Cl)c1)OCO2 ZINC000031940323 642493358 /nfs/dbraw/zinc/49/33/58/642493358.db2.gz NCOFZFBYFGOWKG-KRWDZBQOSA-N 1 2 384.885 2.006 20 0 GEADLO Cc1[nH]c(=S)sc1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000041796251 642533442 /nfs/dbraw/zinc/53/34/42/642533442.db2.gz DNAHZWYYKXUNBK-OAHLLOKOSA-N 1 2 377.535 2.300 20 0 GEADLO Cc1[nH]c(=S)sc1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000041796251 642533450 /nfs/dbraw/zinc/53/34/50/642533450.db2.gz DNAHZWYYKXUNBK-OAHLLOKOSA-N 1 2 377.535 2.300 20 0 GEADLO CCn1c2ccccc2n(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c1=S ZINC000042108779 642542416 /nfs/dbraw/zinc/54/24/16/642542416.db2.gz JECSMRFDEAURCE-AWEZNQCLSA-N 1 2 382.555 2.411 20 0 GEADLO CCn1c2ccccc2n(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c1=S ZINC000042108779 642542421 /nfs/dbraw/zinc/54/24/21/642542421.db2.gz JECSMRFDEAURCE-AWEZNQCLSA-N 1 2 382.555 2.411 20 0 GEADLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000042641482 642554250 /nfs/dbraw/zinc/55/42/50/642554250.db2.gz GAHHONBMDAIHAR-AWEZNQCLSA-N 1 2 387.571 2.042 20 0 GEADLO O=S(=O)(NCC[NH+]1CCSCC1)c1cc(Br)ccc1Cl ZINC000489675820 650761489 /nfs/dbraw/zinc/76/14/89/650761489.db2.gz IKQDUYCRBJKDNY-UHFFFAOYSA-N 1 2 399.763 2.430 20 0 GEADLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(I)cc2)CC1 ZINC000045713642 642594779 /nfs/dbraw/zinc/59/47/79/642594779.db2.gz VCTVWVDDXKFCNS-UHFFFAOYSA-N 1 2 394.278 2.006 20 0 GEADLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000045774002 642596204 /nfs/dbraw/zinc/59/62/04/642596204.db2.gz UBSLNGBHMOEJIE-UHFFFAOYSA-N 1 2 387.285 2.448 20 0 GEADLO O=C(Cn1cc(Br)ccc1=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000046028708 642602001 /nfs/dbraw/zinc/60/20/01/642602001.db2.gz YMDBXNLOADHLMF-UHFFFAOYSA-N 1 2 396.310 2.017 20 0 GEADLO COc1ccc(CCC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1Br ZINC000046889353 642618878 /nfs/dbraw/zinc/61/88/78/642618878.db2.gz BUOIFVFDECOHGD-CYBMUJFWSA-N 1 2 385.302 2.227 20 0 GEADLO O=C(NCC1CC1)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000047980861 642643252 /nfs/dbraw/zinc/64/32/52/642643252.db2.gz GSTOFFFIRIAUCC-HNNXBMFYSA-N 1 2 384.929 2.352 20 0 GEADLO O=C(NCC1CC1)[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000047980861 642643258 /nfs/dbraw/zinc/64/32/58/642643258.db2.gz GSTOFFFIRIAUCC-HNNXBMFYSA-N 1 2 384.929 2.352 20 0 GEADLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2c(Cl)nc3ccccn32)c1C ZINC000051162687 642691556 /nfs/dbraw/zinc/69/15/56/642691556.db2.gz QALWRAHPDXWADG-UHFFFAOYSA-N 1 2 380.857 2.487 20 0 GEADLO C[NH+](C)CCn1cc(NC(=O)c2cccc(Br)c2O)ccc1=O ZINC000534516915 650776919 /nfs/dbraw/zinc/77/69/19/650776919.db2.gz XQSBAWUPFFMAOP-UHFFFAOYSA-N 1 2 380.242 2.130 20 0 GEADLO CSc1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000052133649 642710259 /nfs/dbraw/zinc/71/02/59/642710259.db2.gz KWWYGHMDJKJHKL-HNNXBMFYSA-N 1 2 385.555 2.141 20 0 GEADLO CSc1cccc(NC(=O)C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000052133649 642710267 /nfs/dbraw/zinc/71/02/67/642710267.db2.gz KWWYGHMDJKJHKL-HNNXBMFYSA-N 1 2 385.555 2.141 20 0 GEADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213493 642712698 /nfs/dbraw/zinc/71/26/98/642712698.db2.gz FJSFNZNEYLRQSL-SWLSCSKDSA-N 1 2 398.301 2.447 20 0 GEADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213493 642712701 /nfs/dbraw/zinc/71/27/01/642712701.db2.gz FJSFNZNEYLRQSL-SWLSCSKDSA-N 1 2 398.301 2.447 20 0 GEADLO O=C(N[C@@H](CO)c1cccc(Br)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000490707579 650778861 /nfs/dbraw/zinc/77/88/61/650778861.db2.gz FXMFJPCHNHSJTK-INIZCTEOSA-N 1 2 387.237 2.493 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000052749907 642726448 /nfs/dbraw/zinc/72/64/48/642726448.db2.gz VMULVWPVLMRXBV-OLZOCXBDSA-N 1 2 391.269 2.203 20 0 GEADLO C[N@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1cc(Br)cs1 ZINC000052848052 642729279 /nfs/dbraw/zinc/72/92/79/642729279.db2.gz HHIQVKYXQZRNOM-UHFFFAOYSA-N 1 2 389.315 2.308 20 0 GEADLO C[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1cc(Br)cs1 ZINC000052848052 642729281 /nfs/dbraw/zinc/72/92/81/642729281.db2.gz HHIQVKYXQZRNOM-UHFFFAOYSA-N 1 2 389.315 2.308 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(Br)cc2cccnc21 ZINC000534652219 650779443 /nfs/dbraw/zinc/77/94/43/650779443.db2.gz XXAIHUWETWNTNN-LBPRGKRZSA-N 1 2 378.270 2.448 20 0 GEADLO CCCCCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000054146750 642747865 /nfs/dbraw/zinc/74/78/65/642747865.db2.gz LLNRXIRPZXQQGF-UHFFFAOYSA-N 1 2 387.571 2.187 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000534828323 650781041 /nfs/dbraw/zinc/78/10/41/650781041.db2.gz YEMFMBZPBTYKHS-KFWWJZLASA-N 1 2 392.253 2.176 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000534828323 650781042 /nfs/dbraw/zinc/78/10/42/650781042.db2.gz YEMFMBZPBTYKHS-KFWWJZLASA-N 1 2 392.253 2.176 20 0 GEADLO CC[C@@H](C(=O)NCCCn1cc(Br)cn1)[N@@H+]1CCO[C@H](CC)C1 ZINC000492354683 650790712 /nfs/dbraw/zinc/79/07/12/650790712.db2.gz FWMJAOSRBWXETK-CABCVRRESA-N 1 2 387.322 2.041 20 0 GEADLO CC[C@@H](C(=O)NCCCn1cc(Br)cn1)[N@H+]1CCO[C@H](CC)C1 ZINC000492354683 650790714 /nfs/dbraw/zinc/79/07/14/650790714.db2.gz FWMJAOSRBWXETK-CABCVRRESA-N 1 2 387.322 2.041 20 0 GEADLO OCCOC1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000536005146 650794050 /nfs/dbraw/zinc/79/40/50/650794050.db2.gz ZCMVTWMTVILUAY-UHFFFAOYSA-N 1 2 396.285 2.396 20 0 GEADLO CCn1c(SC[C@H](O)C[NH+]2CCOCC2)nnc1-c1ccc(Cl)cc1 ZINC000066238438 642902524 /nfs/dbraw/zinc/90/25/24/642902524.db2.gz XQBJNFGICHSHDY-OAHLLOKOSA-N 1 2 382.917 2.404 20 0 GEADLO CN(C)c1ccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000493738863 650796262 /nfs/dbraw/zinc/79/62/62/650796262.db2.gz QMWMDFZSTNTMLN-UHFFFAOYSA-N 1 2 379.551 2.363 20 0 GEADLO C[N@H+](CC(=O)NCC(=O)NC(C)(C)C)Cc1ccc(Br)c(F)c1 ZINC000494272906 650803389 /nfs/dbraw/zinc/80/33/89/650803389.db2.gz CPERJUQBSPMMEP-UHFFFAOYSA-N 1 2 388.281 2.051 20 0 GEADLO C[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)Cc1ccc(Br)c(F)c1 ZINC000494272906 650803392 /nfs/dbraw/zinc/80/33/92/650803392.db2.gz CPERJUQBSPMMEP-UHFFFAOYSA-N 1 2 388.281 2.051 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000068455775 642999588 /nfs/dbraw/zinc/99/95/88/642999588.db2.gz QYFXXZVRKQJTKG-UHFFFAOYSA-N 1 2 382.313 2.145 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000068455775 642999608 /nfs/dbraw/zinc/99/96/08/642999608.db2.gz QYFXXZVRKQJTKG-UHFFFAOYSA-N 1 2 382.313 2.145 20 0 GEADLO CCSCc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000068505844 643004066 /nfs/dbraw/zinc/00/40/66/643004066.db2.gz UGHLIAFPINCPSH-UHFFFAOYSA-N 1 2 384.567 2.179 20 0 GEADLO C[C@H]1CCc2sc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2C1 ZINC000068508313 643004560 /nfs/dbraw/zinc/00/45/60/643004560.db2.gz PEBRTFBZNIUIQH-ZDUSSCGKSA-N 1 2 384.567 2.112 20 0 GEADLO C[C@@H]1CCc2sc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2C1 ZINC000068508310 643004687 /nfs/dbraw/zinc/00/46/87/643004687.db2.gz PEBRTFBZNIUIQH-CYBMUJFWSA-N 1 2 384.567 2.112 20 0 GEADLO CSCc1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000069324879 643029712 /nfs/dbraw/zinc/02/97/12/643029712.db2.gz WFEIHIHXOSRJMR-UHFFFAOYSA-N 1 2 385.555 2.180 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCc2c1cccc2Br ZINC000069769406 643040392 /nfs/dbraw/zinc/04/03/92/643040392.db2.gz FNNQACWMWXPATA-LRDDRELGSA-N 1 2 382.302 2.456 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC1 ZINC000074129656 643062965 /nfs/dbraw/zinc/06/29/65/643062965.db2.gz UKZZSYLHRQPKJV-ZDUSSCGKSA-N 1 2 377.501 2.122 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC1 ZINC000074129656 643062972 /nfs/dbraw/zinc/06/29/72/643062972.db2.gz UKZZSYLHRQPKJV-ZDUSSCGKSA-N 1 2 377.501 2.122 20 0 GEADLO COc1cc(C[N@@H+]2CCC[C@H]2CO)cc(I)c1OC ZINC000092455964 643071244 /nfs/dbraw/zinc/07/12/44/643071244.db2.gz BQDDIYVHRNMCGR-NSHDSACASA-N 1 2 377.222 2.265 20 0 GEADLO COc1cc(C[N@H+]2CCC[C@H]2CO)cc(I)c1OC ZINC000092455964 643071248 /nfs/dbraw/zinc/07/12/48/643071248.db2.gz BQDDIYVHRNMCGR-NSHDSACASA-N 1 2 377.222 2.265 20 0 GEADLO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cc(O)ccc1Br ZINC000092473765 643071725 /nfs/dbraw/zinc/07/17/25/643071725.db2.gz KKBHYPJDTXIBFQ-HNNXBMFYSA-N 1 2 376.291 2.389 20 0 GEADLO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cc(O)ccc1Br ZINC000092473765 643071731 /nfs/dbraw/zinc/07/17/31/643071731.db2.gz KKBHYPJDTXIBFQ-HNNXBMFYSA-N 1 2 376.291 2.389 20 0 GEADLO NC(=O)c1c(F)cc(Br)cc1N1CCN(c2cccc[nH+]2)CC1 ZINC000092826675 643072903 /nfs/dbraw/zinc/07/29/03/643072903.db2.gz UEAMSQRWDXZBOC-UHFFFAOYSA-N 1 2 379.233 2.409 20 0 GEADLO COc1nc(N2CC[NH+](Cc3cccnc3C)CC2)ncc1Br ZINC000093079417 643075008 /nfs/dbraw/zinc/07/50/08/643075008.db2.gz GUEHLMPQZSVRGC-UHFFFAOYSA-N 1 2 378.274 2.273 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(I)cc2)C[C@H](C)[N@H+]1C ZINC000549926164 651103263 /nfs/dbraw/zinc/10/32/63/651103263.db2.gz PLMISNMSLARYRE-PHIMTYICSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@H](NC(=O)C[N@H+](C)CCNC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000537525885 650815676 /nfs/dbraw/zinc/81/56/76/650815676.db2.gz HKKMKZAGAGPQNQ-NSHDSACASA-N 1 2 375.300 2.374 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](C)CCNC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000537525885 650815678 /nfs/dbraw/zinc/81/56/78/650815678.db2.gz HKKMKZAGAGPQNQ-NSHDSACASA-N 1 2 375.300 2.374 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(I)cc2)C[C@H](C)[N@@H+]1C ZINC000549926164 651103265 /nfs/dbraw/zinc/10/32/65/651103265.db2.gz PLMISNMSLARYRE-PHIMTYICSA-N 1 2 394.278 2.004 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(Br)c(F)c1 ZINC000103100807 643153018 /nfs/dbraw/zinc/15/30/18/643153018.db2.gz YQIYFQFAVBIURW-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO C[C@H](NC(=O)NCc1ccc(Br)s1)[C@H](C)[NH+]1CCOCC1 ZINC000105149150 643200346 /nfs/dbraw/zinc/20/03/46/643200346.db2.gz CBNGJRVSDDAWSN-QWRGUYRKSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000537749586 650822992 /nfs/dbraw/zinc/82/29/92/650822992.db2.gz MRGWHZVJYOPSCO-RKDXNWHRSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000537749586 650822993 /nfs/dbraw/zinc/82/29/93/650822993.db2.gz MRGWHZVJYOPSCO-RKDXNWHRSA-N 1 2 383.258 2.440 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000496956799 650831508 /nfs/dbraw/zinc/83/15/08/650831508.db2.gz SKPDEHHLJYCBSI-OTYXRUKQSA-N 1 2 386.235 2.384 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000496956799 650831511 /nfs/dbraw/zinc/83/15/11/650831511.db2.gz SKPDEHHLJYCBSI-OTYXRUKQSA-N 1 2 386.235 2.384 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000497018070 650831783 /nfs/dbraw/zinc/83/17/83/650831783.db2.gz HYSQJNWYHLNZJN-JTQLQIEISA-N 1 2 380.813 2.294 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000497018070 650831786 /nfs/dbraw/zinc/83/17/86/650831786.db2.gz HYSQJNWYHLNZJN-JTQLQIEISA-N 1 2 380.813 2.294 20 0 GEADLO CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 ZINC000111375761 643338736 /nfs/dbraw/zinc/33/87/36/643338736.db2.gz FGHPOZMEJQCTHQ-IHRRRGAJSA-N 1 2 387.571 2.170 20 0 GEADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000111376914 643338800 /nfs/dbraw/zinc/33/88/00/643338800.db2.gz MALFVMXCUNYDSA-GHMZBOCLSA-N 1 2 382.511 2.031 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1cc(Br)cs1 ZINC000497032594 650832051 /nfs/dbraw/zinc/83/20/51/650832051.db2.gz BHMOFGIOFXLKIY-LBPRGKRZSA-N 1 2 386.271 2.067 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1cc(Br)cs1 ZINC000497032594 650832055 /nfs/dbraw/zinc/83/20/55/650832055.db2.gz BHMOFGIOFXLKIY-LBPRGKRZSA-N 1 2 386.271 2.067 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000497231810 650832768 /nfs/dbraw/zinc/83/27/68/650832768.db2.gz RYKQGVFJWMPFCT-GFCCVEGCSA-N 1 2 377.819 2.434 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000497231811 650832884 /nfs/dbraw/zinc/83/28/84/650832884.db2.gz RYKQGVFJWMPFCT-LBPRGKRZSA-N 1 2 377.819 2.434 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000112297406 643358665 /nfs/dbraw/zinc/35/86/65/643358665.db2.gz ZDIVBQKUDINIJY-AWEZNQCLSA-N 1 2 385.302 2.397 20 0 GEADLO CCN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)[C@@H](C)CS(C)(=O)=O ZINC000112729102 643372055 /nfs/dbraw/zinc/37/20/55/643372055.db2.gz HFYMIOMBIMSJCO-AWEZNQCLSA-N 1 2 383.539 2.158 20 0 GEADLO O=C(C[N@H+](CCO)CCOCC(F)(F)F)Nc1ccccc1Br ZINC000112982655 643379162 /nfs/dbraw/zinc/37/91/62/643379162.db2.gz YSYCONXAOAUTDU-UHFFFAOYSA-N 1 2 399.207 2.261 20 0 GEADLO O=C(C[N@@H+](CCO)CCOCC(F)(F)F)Nc1ccccc1Br ZINC000112982655 643379166 /nfs/dbraw/zinc/37/91/66/643379166.db2.gz YSYCONXAOAUTDU-UHFFFAOYSA-N 1 2 399.207 2.261 20 0 GEADLO Cc1ccc(Br)c(S(=O)(=O)NCC[NH+]2CCSCC2)c1 ZINC000497542308 650836386 /nfs/dbraw/zinc/83/63/86/650836386.db2.gz OOYZCMUXTDOEHG-UHFFFAOYSA-N 1 2 379.345 2.085 20 0 GEADLO C[N@H+](CCN1CCOCC1)Cc1nc(-c2ccc(Br)s2)no1 ZINC000114464427 643419340 /nfs/dbraw/zinc/41/93/40/643419340.db2.gz CDFQQZBFDAVZCJ-UHFFFAOYSA-N 1 2 387.303 2.325 20 0 GEADLO C[N@@H+](CCN1CCOCC1)Cc1nc(-c2ccc(Br)s2)no1 ZINC000114464427 643419343 /nfs/dbraw/zinc/41/93/43/643419343.db2.gz CDFQQZBFDAVZCJ-UHFFFAOYSA-N 1 2 387.303 2.325 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)C1(c2cccc(Br)c2)CC1 ZINC000115164929 643431088 /nfs/dbraw/zinc/43/10/88/643431088.db2.gz JNFDBVLCOSLEOT-MRXNPFEDSA-N 1 2 379.298 2.460 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)C1(c2cccc(Br)c2)CC1 ZINC000115164929 643431092 /nfs/dbraw/zinc/43/10/92/643431092.db2.gz JNFDBVLCOSLEOT-MRXNPFEDSA-N 1 2 379.298 2.460 20 0 GEADLO CS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000116602183 643467520 /nfs/dbraw/zinc/46/75/20/643467520.db2.gz MCJSAWALSGEDQF-UHFFFAOYSA-N 1 2 377.447 2.077 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC[N@@H+]1CCOC ZINC000117372301 643490099 /nfs/dbraw/zinc/49/00/99/643490099.db2.gz GYCXNGJOFDNWTB-CYBMUJFWSA-N 1 2 376.906 2.080 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC[N@H+]1CCOC ZINC000117372301 643490102 /nfs/dbraw/zinc/49/01/02/643490102.db2.gz GYCXNGJOFDNWTB-CYBMUJFWSA-N 1 2 376.906 2.080 20 0 GEADLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C)C(=O)NC(=O)NC ZINC000120276320 643597221 /nfs/dbraw/zinc/59/72/21/643597221.db2.gz QHLBHGXYSOXJKZ-SNVBAGLBSA-N 1 2 389.283 2.488 20 0 GEADLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C)C(=O)NC(=O)NC ZINC000120276320 643597227 /nfs/dbraw/zinc/59/72/27/643597227.db2.gz QHLBHGXYSOXJKZ-SNVBAGLBSA-N 1 2 389.283 2.488 20 0 GEADLO Cc1csc(SCc2ccc(C(=O)N3CC[NH+](CCO)CC3)cc2)n1 ZINC000120631568 643620984 /nfs/dbraw/zinc/62/09/84/643620984.db2.gz OEBHHTKOBUIDEG-UHFFFAOYSA-N 1 2 377.535 2.494 20 0 GEADLO NC(=O)C1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000125174509 643701786 /nfs/dbraw/zinc/70/17/86/643701786.db2.gz NSGXJAGAKRBZMU-INIZCTEOSA-N 1 2 394.313 2.310 20 0 GEADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000126363456 643729808 /nfs/dbraw/zinc/72/98/08/643729808.db2.gz QSBFAWBKKFHRIJ-IDFMNXDXSA-N 1 2 375.332 2.325 20 0 GEADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000126363456 643729809 /nfs/dbraw/zinc/72/98/09/643729809.db2.gz QSBFAWBKKFHRIJ-IDFMNXDXSA-N 1 2 375.332 2.325 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c1ccc(Br)cc1 ZINC000126363224 643729858 /nfs/dbraw/zinc/72/98/58/643729858.db2.gz QSBFAWBKKFHRIJ-OABGYEMISA-N 1 2 375.332 2.325 20 0 GEADLO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O)c1ccc(Br)cc1 ZINC000126363224 643729861 /nfs/dbraw/zinc/72/98/61/643729861.db2.gz QSBFAWBKKFHRIJ-OABGYEMISA-N 1 2 375.332 2.325 20 0 GEADLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000126652413 643739449 /nfs/dbraw/zinc/73/94/49/643739449.db2.gz JNCBCRARFMZOHV-FVINQWEUSA-N 1 2 381.361 2.168 20 0 GEADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000126652413 643739454 /nfs/dbraw/zinc/73/94/54/643739454.db2.gz JNCBCRARFMZOHV-FVINQWEUSA-N 1 2 381.361 2.168 20 0 GEADLO C[C@@H](CNC(=O)Cc1cccc(I)c1)Cn1cc[nH+]c1 ZINC000128034991 643790521 /nfs/dbraw/zinc/79/05/21/643790521.db2.gz LOXPLWNSUAZLKW-LBPRGKRZSA-N 1 2 383.233 2.483 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000130781550 643850666 /nfs/dbraw/zinc/85/06/66/643850666.db2.gz QDYSNFTVGOUGFT-LBPRGKRZSA-N 1 2 380.286 2.310 20 0 GEADLO C[C@@H](C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[NH+]1CCSCC1 ZINC000130871526 643853583 /nfs/dbraw/zinc/85/35/83/643853583.db2.gz RZKFOKUVVVOUBY-NHYWBVRUSA-N 1 2 385.892 2.138 20 0 GEADLO O=C(C[C@@H]1CSCCS1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000131071913 643862428 /nfs/dbraw/zinc/86/24/28/643862428.db2.gz IEOREEYYADYCHM-QZTJIDSGSA-N 1 2 380.579 2.285 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000132938187 643888831 /nfs/dbraw/zinc/88/88/31/643888831.db2.gz JCZRQJGKGPHZAY-UHFFFAOYSA-N 1 2 385.649 2.444 20 0 GEADLO Cc1cc(Cl)c(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000153901545 644011477 /nfs/dbraw/zinc/01/14/77/644011477.db2.gz VLWJHEFPWNXKDW-LBPRGKRZSA-N 1 2 376.284 2.459 20 0 GEADLO O=C(NCCCCNc1cccc[nH+]1)C(=O)Nc1cncc(Br)c1 ZINC000154178838 644023833 /nfs/dbraw/zinc/02/38/33/644023833.db2.gz JACNCJHURKAUCF-UHFFFAOYSA-N 1 2 392.257 2.186 20 0 GEADLO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNc2cc[nH+]cc2Cl)c1 ZINC000154443516 644042196 /nfs/dbraw/zinc/04/21/96/644042196.db2.gz OHPUYRIFYGAPTK-UHFFFAOYSA-N 1 2 382.873 2.164 20 0 GEADLO COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNc1cc[nH+]cc1Cl ZINC000154701738 644059259 /nfs/dbraw/zinc/05/92/59/644059259.db2.gz SEXAQVVDEVMXLK-UHFFFAOYSA-N 1 2 380.195 2.130 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[NH2+]C2(c3nccs3)CCCC2)n1 ZINC000156726453 644114563 /nfs/dbraw/zinc/11/45/63/644114563.db2.gz VNDKINZELAKVMZ-UHFFFAOYSA-N 1 2 380.495 2.313 20 0 GEADLO CC(C)CC(=O)NNC(=O)[C@@H](C)[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158143576 644141408 /nfs/dbraw/zinc/14/14/08/644141408.db2.gz YQXUQNFFCNYKLE-GFCCVEGCSA-N 1 2 390.311 2.370 20 0 GEADLO CC(C)CC(=O)NNC(=O)[C@@H](C)[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158143576 644141413 /nfs/dbraw/zinc/14/14/13/644141413.db2.gz YQXUQNFFCNYKLE-GFCCVEGCSA-N 1 2 390.311 2.370 20 0 GEADLO CCCC1N=NC(=S)N1CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000158346553 644142725 /nfs/dbraw/zinc/14/27/25/644142725.db2.gz OBQIPAPMMUZXEF-CYBMUJFWSA-N 1 2 379.555 2.486 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000542985827 650896982 /nfs/dbraw/zinc/89/69/82/650896982.db2.gz NPUDHOZWMVASOC-UHFFFAOYSA-N 1 2 385.302 2.181 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000542950251 650895690 /nfs/dbraw/zinc/89/56/90/650895690.db2.gz AIFULYDZNXBLKY-ZDUSSCGKSA-N 1 2 385.302 2.227 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000542950251 650895692 /nfs/dbraw/zinc/89/56/92/650895692.db2.gz AIFULYDZNXBLKY-ZDUSSCGKSA-N 1 2 385.302 2.227 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cs1 ZINC000159111710 644176453 /nfs/dbraw/zinc/17/64/53/644176453.db2.gz FCXAOWZSEMWCBL-UHFFFAOYSA-N 1 2 375.475 2.326 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161519921 644211147 /nfs/dbraw/zinc/21/11/47/644211147.db2.gz BVQGQTAFTUNWMK-HNNXBMFYSA-N 1 2 380.432 2.072 20 0 GEADLO CS(=O)(=O)c1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000161919278 644225321 /nfs/dbraw/zinc/22/53/21/644225321.db2.gz CEDQNKAXKGMDSA-OAHLLOKOSA-N 1 2 397.294 2.169 20 0 GEADLO CN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000161964991 644227291 /nfs/dbraw/zinc/22/72/91/644227291.db2.gz AUDYEVBZIAKOQN-QGZVFWFLSA-N 1 2 390.281 2.224 20 0 GEADLO NC(=O)[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1cccc(Br)c1 ZINC000162026014 644229676 /nfs/dbraw/zinc/22/96/76/644229676.db2.gz FKZMSBOXSKULQE-HNNXBMFYSA-N 1 2 380.217 2.343 20 0 GEADLO NC(=O)[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1cccc(Br)c1 ZINC000162022460 644229797 /nfs/dbraw/zinc/22/97/97/644229797.db2.gz AZEJSGHOKJLOLZ-OAHLLOKOSA-N 1 2 380.217 2.343 20 0 GEADLO COCCNc1nn(CN2CCN(c3cc(C)cc[nH+]3)CC2)c(=S)s1 ZINC000165866895 644271729 /nfs/dbraw/zinc/27/17/29/644271729.db2.gz XEQCMGDBUFPDLN-UHFFFAOYSA-N 1 2 380.543 2.216 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cccc(I)c1 ZINC000170866134 644293613 /nfs/dbraw/zinc/29/36/13/644293613.db2.gz OCJCOCRTYYNLPO-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1cccc(I)c1 ZINC000170866134 644293619 /nfs/dbraw/zinc/29/36/19/644293619.db2.gz OCJCOCRTYYNLPO-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000172475969 644339670 /nfs/dbraw/zinc/33/96/70/644339670.db2.gz NQVLUBWAIPKLHR-HNNXBMFYSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000172475969 644339673 /nfs/dbraw/zinc/33/96/73/644339673.db2.gz NQVLUBWAIPKLHR-HNNXBMFYSA-N 1 2 390.311 2.437 20 0 GEADLO COc1cc(C[NH+]2CCN(Cn3cc(Br)cn3)CC2)cc(OC)c1 ZINC000177168985 644409412 /nfs/dbraw/zinc/40/94/12/644409412.db2.gz XGAZYYCPAVFIIL-UHFFFAOYSA-N 1 2 395.301 2.438 20 0 GEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000543673196 650918572 /nfs/dbraw/zinc/91/85/72/650918572.db2.gz ACWUAKTWIJONCP-WDEREUQCSA-N 1 2 389.315 2.097 20 0 GEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000543673196 650918575 /nfs/dbraw/zinc/91/85/75/650918575.db2.gz ACWUAKTWIJONCP-WDEREUQCSA-N 1 2 389.315 2.097 20 0 GEADLO COc1ccc(Br)cc1Cc1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000545087530 650961293 /nfs/dbraw/zinc/96/12/93/650961293.db2.gz UFWBHPRXVMDQDV-CYBMUJFWSA-N 1 2 381.274 2.350 20 0 GEADLO COc1ccc(Br)cc1Cc1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000545087530 650961295 /nfs/dbraw/zinc/96/12/95/650961295.db2.gz UFWBHPRXVMDQDV-CYBMUJFWSA-N 1 2 381.274 2.350 20 0 GEADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000184267810 645014342 /nfs/dbraw/zinc/01/43/42/645014342.db2.gz IXCBALXOWKHGOT-UKRRQHHQSA-N 1 2 385.555 2.060 20 0 GEADLO Cc1nc(N2CCN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)CC2)cc[nH+]1 ZINC000184958164 645029656 /nfs/dbraw/zinc/02/96/56/645029656.db2.gz GWVCONQCOWBUSF-INIZCTEOSA-N 1 2 381.263 2.474 20 0 GEADLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(Br)cc1F ZINC000185261880 645040704 /nfs/dbraw/zinc/04/07/04/645040704.db2.gz PQHSCWOIWBICQS-UHFFFAOYSA-N 1 2 376.251 2.496 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)[C@H](C)C1 ZINC000189092056 645131883 /nfs/dbraw/zinc/13/18/83/645131883.db2.gz MZKMNFZBKKJVKB-VXGBXAGGSA-N 1 2 398.472 2.374 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)[C@H](C)C1 ZINC000189092056 645131888 /nfs/dbraw/zinc/13/18/88/645131888.db2.gz MZKMNFZBKKJVKB-VXGBXAGGSA-N 1 2 398.472 2.374 20 0 GEADLO C[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000192145355 645196610 /nfs/dbraw/zinc/19/66/10/645196610.db2.gz RTVUDCZZCHUHEN-KBPBESRZSA-N 1 2 381.270 2.393 20 0 GEADLO C[N@@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000192145355 645196620 /nfs/dbraw/zinc/19/66/20/645196620.db2.gz RTVUDCZZCHUHEN-KBPBESRZSA-N 1 2 381.270 2.393 20 0 GEADLO CCS(=O)(=O)C1CC[NH+](C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000193259270 645257139 /nfs/dbraw/zinc/25/71/39/645257139.db2.gz SWJKDOFHTVHXJB-CQSZACIVSA-N 1 2 375.918 2.287 20 0 GEADLO COC[C@@H](CCO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000228267599 645395678 /nfs/dbraw/zinc/39/56/78/645395678.db2.gz UDTHZNVOIIJBCC-SECBINFHSA-N 1 2 383.080 2.404 20 0 GEADLO Cn1cc(C(C)(C)[NH2+]Cc2nnnn2-c2ccccc2Br)cn1 ZINC000546704517 651007381 /nfs/dbraw/zinc/00/73/81/651007381.db2.gz ANKQGEDXWIASCV-UHFFFAOYSA-N 1 2 376.262 2.183 20 0 GEADLO Brc1ccc2c(c1)C=C(C[NH2+]Cc1nnnn1CC1CC1)CO2 ZINC000546729123 651007640 /nfs/dbraw/zinc/00/76/40/651007640.db2.gz KHHSLSDRHQCFGJ-UHFFFAOYSA-N 1 2 376.258 2.411 20 0 GEADLO O=C1CC[C@@H](C[NH2+]Cc2cc(Br)c(O)c(Br)c2)N1 ZINC000236560710 645410971 /nfs/dbraw/zinc/41/09/71/645410971.db2.gz DVBRCVVOOQFRPG-QMMMGPOBSA-N 1 2 378.064 2.285 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccn(C)c(=O)c3)[nH+]c12 ZINC000546764759 651008876 /nfs/dbraw/zinc/00/88/76/651008876.db2.gz MNPKDYFBDOWJIH-UHFFFAOYSA-N 1 2 389.253 2.076 20 0 GEADLO O=C(CN1CC[NH2+]CC1=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000237799638 645442087 /nfs/dbraw/zinc/44/20/87/645442087.db2.gz YADLNQRJCDZTSD-LLVKDONJSA-N 1 2 388.320 2.343 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245692952 645466962 /nfs/dbraw/zinc/46/69/62/645466962.db2.gz JWGDYTGYPRKTKV-UXLLHSPISA-N 1 2 387.908 2.392 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)NC[C@@]2(O)CCSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245692952 645466969 /nfs/dbraw/zinc/46/69/69/645466969.db2.gz JWGDYTGYPRKTKV-UXLLHSPISA-N 1 2 387.908 2.392 20 0 GEADLO C[C@H]1CCN(Cn2nc(N3CCOCC3)sc2=S)C[C@H]1n1cc[nH+]c1 ZINC000246548958 645485113 /nfs/dbraw/zinc/48/51/13/645485113.db2.gz KCGBFRNMJJKNMO-UONOGXRCSA-N 1 2 380.543 2.248 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000246753167 645492940 /nfs/dbraw/zinc/49/29/40/645492940.db2.gz NEOASVLWPGPDLJ-VXGBXAGGSA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000246753167 645492942 /nfs/dbraw/zinc/49/29/42/645492942.db2.gz NEOASVLWPGPDLJ-VXGBXAGGSA-N 1 2 384.325 2.488 20 0 GEADLO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000249721732 645558725 /nfs/dbraw/zinc/55/87/25/645558725.db2.gz MWTLIXNEUNBMRL-ZBFHGGJFSA-N 1 2 394.313 2.310 20 0 GEADLO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000249721732 645558731 /nfs/dbraw/zinc/55/87/31/645558731.db2.gz MWTLIXNEUNBMRL-ZBFHGGJFSA-N 1 2 394.313 2.310 20 0 GEADLO O=S(=O)(c1cccc(Br)c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261889940 645609442 /nfs/dbraw/zinc/60/94/42/645609442.db2.gz VHMKSCRWSQCPPC-HNNXBMFYSA-N 1 2 382.283 2.179 20 0 GEADLO O=C(NCCOc1ccc(Br)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547627624 651039999 /nfs/dbraw/zinc/03/99/99/651039999.db2.gz PDTFNTIGLOYJCZ-CYBMUJFWSA-N 1 2 379.258 2.339 20 0 GEADLO CC[N@H+](CCOc1ccc(C(=O)OC)cc1Cl)[C@H](C)CS(C)(=O)=O ZINC000266516094 645847262 /nfs/dbraw/zinc/84/72/62/645847262.db2.gz GOBOETNFYPLVHB-GFCCVEGCSA-N 1 2 377.890 2.260 20 0 GEADLO CC[N@@H+](CCOc1ccc(C(=O)OC)cc1Cl)[C@H](C)CS(C)(=O)=O ZINC000266516094 645847264 /nfs/dbraw/zinc/84/72/64/645847264.db2.gz GOBOETNFYPLVHB-GFCCVEGCSA-N 1 2 377.890 2.260 20 0 GEADLO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1Cl ZINC000267228137 645889913 /nfs/dbraw/zinc/88/99/13/645889913.db2.gz RCFYKJJAPULWTR-OAHLLOKOSA-N 1 2 385.873 2.473 20 0 GEADLO C[C@@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)C[C@@H]1[NH+]1CCOCC1 ZINC000267566194 645908852 /nfs/dbraw/zinc/90/88/52/645908852.db2.gz HPJRPWVZSUJLIM-YPMHNXCESA-N 1 2 379.511 2.451 20 0 GEADLO O=C(C[NH+]1CCC2(CNC(=O)C2)CC1)Nc1ccc(Br)cc1F ZINC000267727199 645920916 /nfs/dbraw/zinc/92/09/16/645920916.db2.gz AYLLICXMIATFNO-UHFFFAOYSA-N 1 2 384.249 2.129 20 0 GEADLO O=C(NC[C@@H]1CSCCS1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000267872188 645930041 /nfs/dbraw/zinc/93/00/41/645930041.db2.gz QQYADORHYHHDBK-DLBZAZTESA-N 1 2 381.567 2.035 20 0 GEADLO O=C(NC[C@@H]1CSCCS1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000267872188 645930043 /nfs/dbraw/zinc/93/00/43/645930043.db2.gz QQYADORHYHHDBK-DLBZAZTESA-N 1 2 381.567 2.035 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[S@@](=O)Cc1c[nH+]cn1C ZINC000268158775 645949314 /nfs/dbraw/zinc/94/93/14/645949314.db2.gz MZYGMKPDTVPUBI-SPSFWMDKSA-N 1 2 398.326 2.478 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[S@](=O)Cc1c[nH+]cn1C ZINC000268158770 645949500 /nfs/dbraw/zinc/94/95/00/645949500.db2.gz MZYGMKPDTVPUBI-SFDCACGMSA-N 1 2 398.326 2.478 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)sc2Br)CC1 ZINC000268373726 645963652 /nfs/dbraw/zinc/96/36/52/645963652.db2.gz VPXDNCRZPVSPDU-UHFFFAOYSA-N 1 2 388.331 2.103 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)sc2Br)CC1 ZINC000268373726 645963656 /nfs/dbraw/zinc/96/36/56/645963656.db2.gz VPXDNCRZPVSPDU-UHFFFAOYSA-N 1 2 388.331 2.103 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@]3(C)CCS(=O)(=O)C3)n2)C1 ZINC000268510594 645971446 /nfs/dbraw/zinc/97/14/46/645971446.db2.gz RUTFFWFFJVLKJE-WBMJQRKESA-N 1 2 386.543 2.074 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@]3(C)CCS(=O)(=O)C3)n2)C1 ZINC000268510594 645971449 /nfs/dbraw/zinc/97/14/49/645971449.db2.gz RUTFFWFFJVLKJE-WBMJQRKESA-N 1 2 386.543 2.074 20 0 GEADLO Cn1c[nH+]cc1C[S@](=O)CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000268569847 645979252 /nfs/dbraw/zinc/97/92/52/645979252.db2.gz AEQFDMDJCCDYGV-VWLOTQADSA-N 1 2 377.363 2.143 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCCCCCO)CC1 ZINC000268894862 646003503 /nfs/dbraw/zinc/00/35/03/646003503.db2.gz NJPRJCDYGQLBJE-UHFFFAOYSA-N 1 2 390.933 2.208 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000269954190 646076627 /nfs/dbraw/zinc/07/66/27/646076627.db2.gz HRNJPXTXFWNZLY-JTQLQIEISA-N 1 2 377.297 2.487 20 0 GEADLO COC[C@H](CCO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000270022468 646084231 /nfs/dbraw/zinc/08/42/31/646084231.db2.gz ARXQNZALDFJPOB-JKSUJKDBSA-N 1 2 385.302 2.100 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Br)s2)[C@@H](C)C1 ZINC000271687485 646219962 /nfs/dbraw/zinc/21/99/62/646219962.db2.gz PQJGQCJKRCMVII-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Br)s2)[C@@H](C)C1 ZINC000271687485 646219968 /nfs/dbraw/zinc/21/99/68/646219968.db2.gz PQJGQCJKRCMVII-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000272532346 646276838 /nfs/dbraw/zinc/27/68/38/646276838.db2.gz OXZKLLYILIKKIO-ZDUSSCGKSA-N 1 2 380.432 2.408 20 0 GEADLO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2scnc2C(=O)OC)C1 ZINC000274092917 646316429 /nfs/dbraw/zinc/31/64/29/646316429.db2.gz AIASDFCKMBXMSE-LBPRGKRZSA-N 1 2 389.543 2.109 20 0 GEADLO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2scnc2C(=O)OC)C1 ZINC000274092917 646316433 /nfs/dbraw/zinc/31/64/33/646316433.db2.gz AIASDFCKMBXMSE-LBPRGKRZSA-N 1 2 389.543 2.109 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000277093719 646375992 /nfs/dbraw/zinc/37/59/92/646375992.db2.gz VMETUZBZURIKMO-OAHLLOKOSA-N 1 2 395.301 2.186 20 0 GEADLO Cc1cc(Br)cn2cc(CCN3C(=O)[C@@H]4CCCN4C3=O)[nH+]c12 ZINC000277204997 646389282 /nfs/dbraw/zinc/38/92/82/646389282.db2.gz HJFNTTPUNLFCIA-ZDUSSCGKSA-N 1 2 377.242 2.374 20 0 GEADLO CCS(=O)(=O)C1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000277826570 646475814 /nfs/dbraw/zinc/47/58/14/646475814.db2.gz QUPVDGUPXCWLQR-OAHLLOKOSA-N 1 2 376.316 2.382 20 0 GEADLO Cc1c(Br)cc(C(=O)NCCCCNc2cccc[nH+]2)c(=O)n1C ZINC000277909047 646481261 /nfs/dbraw/zinc/48/12/61/646481261.db2.gz DCUBINOODKWWQW-UHFFFAOYSA-N 1 2 393.285 2.473 20 0 GEADLO COC(=O)C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Br)cc1 ZINC000278746602 646545362 /nfs/dbraw/zinc/54/53/62/646545362.db2.gz VHKXPMWCGIZIBG-AWEZNQCLSA-N 1 2 380.242 2.444 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Br)c(C)c1F ZINC000279575018 646612590 /nfs/dbraw/zinc/61/25/90/646612590.db2.gz WEQNDOPHIHULNT-LBPRGKRZSA-N 1 2 384.205 2.134 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Br)c(C)c1F ZINC000279575018 646612597 /nfs/dbraw/zinc/61/25/97/646612597.db2.gz WEQNDOPHIHULNT-LBPRGKRZSA-N 1 2 384.205 2.134 20 0 GEADLO CCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000280318666 646671266 /nfs/dbraw/zinc/67/12/66/646671266.db2.gz ILQFOIXNHYHDDE-GFCCVEGCSA-N 1 2 382.511 2.354 20 0 GEADLO CCOCC[C@H](O)C[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280836228 646722924 /nfs/dbraw/zinc/72/29/24/646722924.db2.gz WQCPUPXMVKXVOM-INIZCTEOSA-N 1 2 383.290 2.249 20 0 GEADLO CCOCC[C@H](O)C[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280836228 646722930 /nfs/dbraw/zinc/72/29/30/646722930.db2.gz WQCPUPXMVKXVOM-INIZCTEOSA-N 1 2 383.290 2.249 20 0 GEADLO CC1=C(Br)C[N@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000281089774 646745192 /nfs/dbraw/zinc/74/51/92/646745192.db2.gz LURHDOMKLRMRBZ-GFCCVEGCSA-N 1 2 379.254 2.018 20 0 GEADLO CC1=C(Br)C[N@@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000281089774 646745194 /nfs/dbraw/zinc/74/51/94/646745194.db2.gz LURHDOMKLRMRBZ-GFCCVEGCSA-N 1 2 379.254 2.018 20 0 GEADLO C[C@H](Oc1ccc(I)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000281109450 646746558 /nfs/dbraw/zinc/74/65/58/646746558.db2.gz WYFQRIGBHPKBNA-NSHDSACASA-N 1 2 385.205 2.071 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000281262164 646756838 /nfs/dbraw/zinc/75/68/38/646756838.db2.gz AYMADOBUJGHQDG-SNVBAGLBSA-N 1 2 380.247 2.289 20 0 GEADLO Cc1cc(Br)cn2c(C[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)cnc12 ZINC000281311191 646760767 /nfs/dbraw/zinc/76/07/67/646760767.db2.gz QNCVIEPXUFPINF-RISCZKNCSA-N 1 2 379.258 2.336 20 0 GEADLO Cc1cc(Br)cn2c(C[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)cnc12 ZINC000281311191 646760771 /nfs/dbraw/zinc/76/07/71/646760771.db2.gz QNCVIEPXUFPINF-RISCZKNCSA-N 1 2 379.258 2.336 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CCc3cnccn3)[nH+]c12 ZINC000281514745 646777194 /nfs/dbraw/zinc/77/71/94/646777194.db2.gz IBPFBBVTJNWTKO-UHFFFAOYSA-N 1 2 388.269 2.487 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1c(C)c(C)sc1Br ZINC000281942158 646804828 /nfs/dbraw/zinc/80/48/28/646804828.db2.gz LGNJNZAZVMTHFV-JTQLQIEISA-N 1 2 386.271 2.365 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1c(C)c(C)sc1Br ZINC000281942158 646804831 /nfs/dbraw/zinc/80/48/31/646804831.db2.gz LGNJNZAZVMTHFV-JTQLQIEISA-N 1 2 386.271 2.365 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000285380735 646854554 /nfs/dbraw/zinc/85/45/54/646854554.db2.gz GSFRDAMUMZQBPA-UHFFFAOYSA-N 1 2 379.295 2.349 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000285393578 646855457 /nfs/dbraw/zinc/85/54/57/646855457.db2.gz HRQNZKDAEBLJRK-CYBMUJFWSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCc3c[nH+]cn3C)nc12 ZINC000292610311 647202786 /nfs/dbraw/zinc/20/27/86/647202786.db2.gz UGBAUJNWKFVGOU-UHFFFAOYSA-N 1 2 391.273 2.181 20 0 GEADLO CCOc1cc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc(Br)c1O ZINC000298108403 647269251 /nfs/dbraw/zinc/26/92/51/647269251.db2.gz OBIGUQOZCCNFIY-YPMHNXCESA-N 1 2 385.258 2.484 20 0 GEADLO CCOc1cc(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc(Br)c1O ZINC000298108403 647269263 /nfs/dbraw/zinc/26/92/63/647269263.db2.gz OBIGUQOZCCNFIY-YPMHNXCESA-N 1 2 385.258 2.484 20 0 GEADLO COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330829130 647354278 /nfs/dbraw/zinc/35/42/78/647354278.db2.gz RKUNBXMVYHGGMC-LBPRGKRZSA-N 1 2 391.331 2.219 20 0 GEADLO COc1cc(Br)ccc1C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330829130 647354283 /nfs/dbraw/zinc/35/42/83/647354283.db2.gz RKUNBXMVYHGGMC-LBPRGKRZSA-N 1 2 391.331 2.219 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000331255113 647373871 /nfs/dbraw/zinc/37/38/71/647373871.db2.gz UVMIJNJFUHETAR-UHFFFAOYSA-N 1 2 385.839 2.377 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000361788121 647564561 /nfs/dbraw/zinc/56/45/61/647564561.db2.gz LPSFHBPXBGCHLY-SECBINFHSA-N 1 2 376.301 2.422 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000363426746 647596165 /nfs/dbraw/zinc/59/61/65/647596165.db2.gz HPYVVHIVPNJTCN-KBPBESRZSA-N 1 2 386.949 2.120 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)Nc1ccnn1-c1ccc(Br)cn1 ZINC000363952514 647613392 /nfs/dbraw/zinc/61/33/92/647613392.db2.gz IXYJLQFBLFBDNY-UHFFFAOYSA-N 1 2 390.245 2.438 20 0 GEADLO CN(CC(F)(F)F)C(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000364527702 647632756 /nfs/dbraw/zinc/63/27/56/647632756.db2.gz ALGGABPOCBEDGP-UHFFFAOYSA-N 1 2 383.212 2.303 20 0 GEADLO Cc1cc(Br)cn2c(CN3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)c[nH+]c12 ZINC000364936549 647650448 /nfs/dbraw/zinc/65/04/48/647650448.db2.gz OURHZYSBZBKVDG-TUKIKUTGSA-N 1 2 377.286 2.491 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000365110956 647659458 /nfs/dbraw/zinc/65/94/58/647659458.db2.gz NMTNWQAYTLPPFS-ZIAGYGMSSA-N 1 2 376.881 2.152 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000365110956 647659460 /nfs/dbraw/zinc/65/94/60/647659460.db2.gz NMTNWQAYTLPPFS-ZIAGYGMSSA-N 1 2 376.881 2.152 20 0 GEADLO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000365169268 647662058 /nfs/dbraw/zinc/66/20/58/647662058.db2.gz UPOLJLOWKMEYBK-VIFPVBQESA-N 1 2 375.422 2.487 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2NC(=O)C[C@@H]2C(F)(F)F)CC1 ZINC000365467474 647671354 /nfs/dbraw/zinc/67/13/54/647671354.db2.gz CAMQZYAYZCELCN-OSMZGAPFSA-N 1 2 375.416 2.020 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1ccc(Br)cn1 ZINC000365682448 647682137 /nfs/dbraw/zinc/68/21/37/647682137.db2.gz VRMLPQDXHKGJCL-CQSZACIVSA-N 1 2 377.242 2.331 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1ccc(Br)cn1 ZINC000365682448 647682140 /nfs/dbraw/zinc/68/21/40/647682140.db2.gz VRMLPQDXHKGJCL-CQSZACIVSA-N 1 2 377.242 2.331 20 0 GEADLO COC(=O)[C@H]1C[C@H](NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)C[NH2+]1 ZINC000365755669 647686269 /nfs/dbraw/zinc/68/62/69/647686269.db2.gz YPSKHSUWAPNAPL-DTWKUNHWSA-N 1 2 385.898 2.467 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367090284 647719245 /nfs/dbraw/zinc/71/92/45/647719245.db2.gz XDJJGKSFIPDENU-UONOGXRCSA-N 1 2 376.881 2.152 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367090284 647719254 /nfs/dbraw/zinc/71/92/54/647719254.db2.gz XDJJGKSFIPDENU-UONOGXRCSA-N 1 2 376.881 2.152 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)N1CCC1 ZINC000367218381 647724730 /nfs/dbraw/zinc/72/47/30/647724730.db2.gz ROAFVLGHXPIELZ-UHFFFAOYSA-N 1 2 378.325 2.498 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000367529732 647735908 /nfs/dbraw/zinc/73/59/08/647735908.db2.gz TZITYTXIWCUBPR-JKSUJKDBSA-N 1 2 385.917 2.235 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000367529732 647735913 /nfs/dbraw/zinc/73/59/13/647735913.db2.gz TZITYTXIWCUBPR-JKSUJKDBSA-N 1 2 385.917 2.235 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000367529731 647735954 /nfs/dbraw/zinc/73/59/54/647735954.db2.gz TZITYTXIWCUBPR-HZPDHXFCSA-N 1 2 385.917 2.235 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000367529731 647735958 /nfs/dbraw/zinc/73/59/58/647735958.db2.gz TZITYTXIWCUBPR-HZPDHXFCSA-N 1 2 385.917 2.235 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000368081173 647749905 /nfs/dbraw/zinc/74/99/05/647749905.db2.gz BSGXUPMOTBCJEL-VHSXEESVSA-N 1 2 375.778 2.365 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000368081173 647749910 /nfs/dbraw/zinc/74/99/10/647749910.db2.gz BSGXUPMOTBCJEL-VHSXEESVSA-N 1 2 375.778 2.365 20 0 GEADLO Cc1nn(C)c(C[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)c1Br ZINC000368518286 647757142 /nfs/dbraw/zinc/75/71/42/647757142.db2.gz LKCSCBZLFYCCMR-CYBMUJFWSA-N 1 2 393.285 2.221 20 0 GEADLO O=c1c(Cl)c(N2CC[N@@H+]3CCOC[C@@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000371801471 647800206 /nfs/dbraw/zinc/80/02/06/647800206.db2.gz GSUWIIVITDRJPQ-AWEZNQCLSA-N 1 2 381.263 2.060 20 0 GEADLO O=c1c(Cl)c(N2CC[N@H+]3CCOC[C@@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000371801471 647800208 /nfs/dbraw/zinc/80/02/08/647800208.db2.gz GSUWIIVITDRJPQ-AWEZNQCLSA-N 1 2 381.263 2.060 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374325092 647821125 /nfs/dbraw/zinc/82/11/25/647821125.db2.gz CRGMPJGXTXQLSK-GFCCVEGCSA-N 1 2 391.269 2.446 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000374334449 647821609 /nfs/dbraw/zinc/82/16/09/647821609.db2.gz VHBIWCZDLWYTAX-SNVBAGLBSA-N 1 2 395.232 2.276 20 0 GEADLO C[N@@H+]1CCc2ncnc(N3CCC(Cn4cc(Br)cn4)CC3)c2C1 ZINC000374656390 647824793 /nfs/dbraw/zinc/82/47/93/647824793.db2.gz AXOJNUMMHBGJKR-UHFFFAOYSA-N 1 2 391.317 2.340 20 0 GEADLO C[N@H+]1CCc2ncnc(N3CCC(Cn4cc(Br)cn4)CC3)c2C1 ZINC000374656390 647824797 /nfs/dbraw/zinc/82/47/97/647824797.db2.gz AXOJNUMMHBGJKR-UHFFFAOYSA-N 1 2 391.317 2.340 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000375934035 647836757 /nfs/dbraw/zinc/83/67/57/647836757.db2.gz QSHMTDGICLKTFR-LBPRGKRZSA-N 1 2 383.495 2.145 20 0 GEADLO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)CCO1 ZINC000376289968 647841961 /nfs/dbraw/zinc/84/19/61/647841961.db2.gz PYPZMQFVFPGMKQ-LLVKDONJSA-N 1 2 394.871 2.492 20 0 GEADLO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)CCO1 ZINC000376289968 647841966 /nfs/dbraw/zinc/84/19/66/647841966.db2.gz PYPZMQFVFPGMKQ-LLVKDONJSA-N 1 2 394.871 2.492 20 0 GEADLO O=C(NCc1c(F)cccc1Cl)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000377471589 647859439 /nfs/dbraw/zinc/85/94/39/647859439.db2.gz LJVXIOLQMPDBSW-QGZVFWFLSA-N 1 2 387.908 2.486 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)Nc1ccc(Br)cc1Cl ZINC000377729785 647866469 /nfs/dbraw/zinc/86/64/69/647866469.db2.gz WSGRMAAZUPLUAM-KOLCDFICSA-N 1 2 386.677 2.109 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)Nc1ccc(Br)cc1Cl ZINC000377729785 647866472 /nfs/dbraw/zinc/86/64/72/647866472.db2.gz WSGRMAAZUPLUAM-KOLCDFICSA-N 1 2 386.677 2.109 20 0 GEADLO O=C(Nc1ccc(Cl)cc1Br)C(=O)N1CCn2c[nH+]cc2C1 ZINC000377972663 647873805 /nfs/dbraw/zinc/87/38/05/647873805.db2.gz UTMKHIDWIFATKG-UHFFFAOYSA-N 1 2 383.633 2.280 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000408069231 647922239 /nfs/dbraw/zinc/92/22/39/647922239.db2.gz AWQNKFFXFYCWME-UONOGXRCSA-N 1 2 385.555 2.087 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000408069231 647922243 /nfs/dbraw/zinc/92/22/43/647922243.db2.gz AWQNKFFXFYCWME-UONOGXRCSA-N 1 2 385.555 2.087 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000409656523 647976729 /nfs/dbraw/zinc/97/67/29/647976729.db2.gz IYENRLQKNYQHCH-IHRRRGAJSA-N 1 2 385.302 2.442 20 0 GEADLO O=C(NCCNc1cc[nH+]c2c(Br)ccc(F)c12)c1ccn[nH]1 ZINC000409716952 647980894 /nfs/dbraw/zinc/98/08/94/647980894.db2.gz DBJGPHBGBMYTRI-UHFFFAOYSA-N 1 2 378.205 2.123 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412117248 648043688 /nfs/dbraw/zinc/04/36/88/648043688.db2.gz YZEGGLINLJYFEJ-BFVZDQMLSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412117248 648043698 /nfs/dbraw/zinc/04/36/98/648043698.db2.gz YZEGGLINLJYFEJ-BFVZDQMLSA-N 1 2 380.794 2.361 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1ccc(Br)c(F)c1 ZINC000413191440 648063276 /nfs/dbraw/zinc/06/32/76/648063276.db2.gz GZUYAUFTXVIBGX-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC(C)NC(=O)[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000414344860 648097299 /nfs/dbraw/zinc/09/72/99/648097299.db2.gz OJCPBLHBZUURDD-MFKMUULPSA-N 1 2 389.315 2.170 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)Cc2ccc(Cl)cc2Br)c1 ZINC000416538971 648165672 /nfs/dbraw/zinc/16/56/72/648165672.db2.gz XPRCZJNOLCDPSN-UHFFFAOYSA-N 1 2 392.706 2.498 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416662999 648205675 /nfs/dbraw/zinc/20/56/75/648205675.db2.gz LHHIGSQTLWLIFF-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C[N@H+]1CCO ZINC000416662999 648205679 /nfs/dbraw/zinc/20/56/79/648205679.db2.gz LHHIGSQTLWLIFF-NEPJUHHUSA-N 1 2 381.325 2.210 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c(Cl)c1Cl ZINC000416671410 648207840 /nfs/dbraw/zinc/20/78/40/648207840.db2.gz WGNJRJHLVZGMFY-GHMZBOCLSA-N 1 2 397.324 2.078 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c(Cl)c1Cl ZINC000416671410 648207843 /nfs/dbraw/zinc/20/78/43/648207843.db2.gz WGNJRJHLVZGMFY-GHMZBOCLSA-N 1 2 397.324 2.078 20 0 GEADLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1C(F)(F)F ZINC000416671831 648208267 /nfs/dbraw/zinc/20/82/67/648208267.db2.gz XDYYUCTYKSSMPA-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1C(F)(F)F ZINC000416671831 648208269 /nfs/dbraw/zinc/20/82/69/648208269.db2.gz XDYYUCTYKSSMPA-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO COC(=O)CNC(=O)[C@H]1CCCN1c1cc[nH+]c2c(Br)cccc12 ZINC000419004634 648327340 /nfs/dbraw/zinc/32/73/40/648327340.db2.gz FNYMXJFCNJAROP-CQSZACIVSA-N 1 2 392.253 2.255 20 0 GEADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000419729571 648371625 /nfs/dbraw/zinc/37/16/25/648371625.db2.gz OTHWCWASLKRJDD-WRWORJQWSA-N 1 2 377.080 2.221 20 0 GEADLO COC(=O)Cn1cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)nn1 ZINC000420981386 648461103 /nfs/dbraw/zinc/46/11/03/648461103.db2.gz YDGGXXDLZXXIFE-HNNXBMFYSA-N 1 2 393.285 2.421 20 0 GEADLO COC(=O)Cn1cc(C[N@H+]2CCC[C@H]2Cc2ccccc2Br)nn1 ZINC000420981386 648461107 /nfs/dbraw/zinc/46/11/07/648461107.db2.gz YDGGXXDLZXXIFE-HNNXBMFYSA-N 1 2 393.285 2.421 20 0 GEADLO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422284321 648533571 /nfs/dbraw/zinc/53/35/71/648533571.db2.gz PPFWMVFIENFTHH-NSHDSACASA-N 1 2 383.279 2.133 20 0 GEADLO O=C(NCCc1cccc(Cl)c1Cl)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424513023 648632391 /nfs/dbraw/zinc/63/23/91/648632391.db2.gz WMXAWIWCPZDTAP-LLVKDONJSA-N 1 2 394.249 2.013 20 0 GEADLO CCc1nc([C@@H](C)[NH2+]CC(=O)NCc2ccc(S(C)(=O)=O)cc2)cs1 ZINC000425434519 648677105 /nfs/dbraw/zinc/67/71/05/648677105.db2.gz QFKFMLJVQSZNGN-GFCCVEGCSA-N 1 2 381.523 2.076 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(O)c(Br)c2)CCO1 ZINC000425949070 648701208 /nfs/dbraw/zinc/70/12/08/648701208.db2.gz GJRLVKMYXZKLEZ-CYBMUJFWSA-N 1 2 386.290 2.065 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(O)c(Br)c2)CCO1 ZINC000425949070 648701218 /nfs/dbraw/zinc/70/12/18/648701218.db2.gz GJRLVKMYXZKLEZ-CYBMUJFWSA-N 1 2 386.290 2.065 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H](CO)[C@@H]3C)[nH+]c12 ZINC000426190554 648707412 /nfs/dbraw/zinc/70/74/12/648707412.db2.gz GNQSTNKCGCMMOU-STQMWFEESA-N 1 2 395.301 2.360 20 0 GEADLO O=C(Nc1cc(Cl)ccc1Br)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427052571 648721166 /nfs/dbraw/zinc/72/11/66/648721166.db2.gz GLSXLPNARDXDEU-SNVBAGLBSA-N 1 2 397.660 2.369 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000428488717 648735640 /nfs/dbraw/zinc/73/56/40/648735640.db2.gz YEKKHQLWLIXARZ-DZGCQCFKSA-N 1 2 395.301 2.185 20 0 GEADLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCN1CCCS1(=O)=O ZINC000429136404 648745971 /nfs/dbraw/zinc/74/59/71/648745971.db2.gz RHAUISAYDKQJDL-CYBMUJFWSA-N 1 2 375.897 2.025 20 0 GEADLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCN1CCCS1(=O)=O ZINC000429136404 648745976 /nfs/dbraw/zinc/74/59/76/648745976.db2.gz RHAUISAYDKQJDL-CYBMUJFWSA-N 1 2 375.897 2.025 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000435664204 648785008 /nfs/dbraw/zinc/78/50/08/648785008.db2.gz LRNXGRDJORZMOA-MFKMUULPSA-N 1 2 377.242 2.276 20 0 GEADLO Cc1ccc([C@@H]([NH2+]CC(=O)N(C)CC(F)(F)F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435895877 648789203 /nfs/dbraw/zinc/78/92/03/648789203.db2.gz CWKZGMXEVUGFST-DOMZBBRYSA-N 1 2 380.432 2.080 20 0 GEADLO CS[C@H]1CCCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000441103165 648820552 /nfs/dbraw/zinc/82/05/52/648820552.db2.gz KENAHMVJZJWEBS-NSHDSACASA-N 1 2 391.946 2.143 20 0 GEADLO CS[C@H]1CCCC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000441103165 648820554 /nfs/dbraw/zinc/82/05/54/648820554.db2.gz KENAHMVJZJWEBS-NSHDSACASA-N 1 2 391.946 2.143 20 0 GEADLO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548639432 651082334 /nfs/dbraw/zinc/08/23/34/651082334.db2.gz PNQJTUIVXDUHLJ-MNOVXSKESA-N 1 2 381.263 2.439 20 0 GEADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000548918783 651089238 /nfs/dbraw/zinc/08/92/38/651089238.db2.gz IMEBLKKSLBLDQK-NWDGAFQWSA-N 1 2 384.502 2.406 20 0 GEADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000548918783 651089240 /nfs/dbraw/zinc/08/92/40/651089240.db2.gz IMEBLKKSLBLDQK-NWDGAFQWSA-N 1 2 384.502 2.406 20 0 GEADLO CCOc1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc(Cl)c1O ZINC000551329369 651122382 /nfs/dbraw/zinc/12/23/82/651122382.db2.gz NDBZOPQBQSYMAH-CYBMUJFWSA-N 1 2 376.906 2.346 20 0 GEADLO CCOc1cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc(Cl)c1O ZINC000551329369 651122384 /nfs/dbraw/zinc/12/23/84/651122384.db2.gz NDBZOPQBQSYMAH-CYBMUJFWSA-N 1 2 376.906 2.346 20 0 GEADLO O=S1(=O)CCC[C@H](C[NH+]2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC000551697055 651130092 /nfs/dbraw/zinc/13/00/92/651130092.db2.gz VJDVANSTTCCZBQ-MRXNPFEDSA-N 1 2 386.945 2.161 20 0 GEADLO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCc3ccc(Br)cc3C2)C[C@H](C)O1 ZINC000551747599 651131499 /nfs/dbraw/zinc/13/14/99/651131499.db2.gz CWCVLOYXGMPXGY-IYOUNJFTSA-N 1 2 383.330 2.277 20 0 GEADLO C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCc3ccc(Br)cc3C2)C[C@H](C)O1 ZINC000551747599 651131500 /nfs/dbraw/zinc/13/15/00/651131500.db2.gz CWCVLOYXGMPXGY-IYOUNJFTSA-N 1 2 383.330 2.277 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccccc1Br)C2 ZINC000552007262 651137618 /nfs/dbraw/zinc/13/76/18/651137618.db2.gz RSZNNZWKJBWIOX-LBPRGKRZSA-N 1 2 378.270 2.234 20 0 GEADLO O=C(NCc1c[nH+]c2n1CCCC2)c1cc(I)ccc1O ZINC000552442113 651149458 /nfs/dbraw/zinc/14/94/58/651149458.db2.gz KXYMUOUBJVOBNB-UHFFFAOYSA-N 1 2 397.216 2.460 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000553468332 651176825 /nfs/dbraw/zinc/17/68/25/651176825.db2.gz IPQZZNVMZGEKMS-NSHDSACASA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000553468332 651176827 /nfs/dbraw/zinc/17/68/27/651176827.db2.gz IPQZZNVMZGEKMS-NSHDSACASA-N 1 2 396.738 2.108 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000554743251 651212286 /nfs/dbraw/zinc/21/22/86/651212286.db2.gz KPALUZXOXNCQPL-CYBMUJFWSA-N 1 2 385.917 2.072 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000554743251 651212290 /nfs/dbraw/zinc/21/22/90/651212290.db2.gz KPALUZXOXNCQPL-CYBMUJFWSA-N 1 2 385.917 2.072 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(Br)c4c3OCCC4)C[C@H]21 ZINC000556462697 651244796 /nfs/dbraw/zinc/24/47/96/651244796.db2.gz ORWPFVYSURUMJQ-CVEARBPZSA-N 1 2 395.297 2.319 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(Br)c4c3OCCC4)C[C@H]21 ZINC000556462697 651244797 /nfs/dbraw/zinc/24/47/97/651244797.db2.gz ORWPFVYSURUMJQ-CVEARBPZSA-N 1 2 395.297 2.319 20 0 GEADLO COC(=O)c1cncnc1NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000557634914 651270857 /nfs/dbraw/zinc/27/08/57/651270857.db2.gz SKILSVHYNTZBOC-UHFFFAOYSA-N 1 2 390.241 2.636 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)C(=O)NCc1ccc(Br)cc1 ZINC000559599999 651298522 /nfs/dbraw/zinc/29/85/22/651298522.db2.gz VNRXPSQQPWJAGN-UHFFFAOYSA-N 1 2 391.269 2.079 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c(Br)c1 ZINC000560258392 651305492 /nfs/dbraw/zinc/30/54/92/651305492.db2.gz XRCLMCREZXHQBF-AWEZNQCLSA-N 1 2 396.285 2.272 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c(Br)c1 ZINC000560258392 651305495 /nfs/dbraw/zinc/30/54/95/651305495.db2.gz XRCLMCREZXHQBF-AWEZNQCLSA-N 1 2 396.285 2.272 20 0 GEADLO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000560405146 651308661 /nfs/dbraw/zinc/30/86/61/651308661.db2.gz QKMPPCXEZAGIGP-KBPBESRZSA-N 1 2 393.285 2.427 20 0 GEADLO C[C@@H]([NH2+]Cc1n[nH]cc1Br)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000718134708 651475475 /nfs/dbraw/zinc/47/54/75/651475475.db2.gz SMDIHUNDIZIKSI-ZWNOBZJWSA-N 1 2 389.294 2.286 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCCc2ccc(F)c(Br)c2)CCO1 ZINC000726253413 651488414 /nfs/dbraw/zinc/48/84/14/651488414.db2.gz NBIOTEPTIGHEOU-LBPRGKRZSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCc2ccc(F)c(Br)c2)CCO1 ZINC000726253413 651488416 /nfs/dbraw/zinc/48/84/16/651488416.db2.gz NBIOTEPTIGHEOU-LBPRGKRZSA-N 1 2 388.281 2.151 20 0 GEADLO O=S(=O)(c1ccccc1C(F)(F)F)N1CC[NH+](CCCCCO)CC1 ZINC000727027777 651508578 /nfs/dbraw/zinc/50/85/78/651508578.db2.gz LZSWAMDUKCROAD-UHFFFAOYSA-N 1 2 380.432 2.174 20 0 GEADLO O=C(CCNS(=O)(=O)c1ccccc1Cl)Nc1ccc2[nH+]ccn2c1 ZINC000604267464 651511056 /nfs/dbraw/zinc/51/10/56/651511056.db2.gz VNBSPNSLXJEHIN-UHFFFAOYSA-N 1 2 378.841 2.295 20 0 GEADLO O=C(CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)Nc1ccc(Br)cc1 ZINC000563203386 651515938 /nfs/dbraw/zinc/51/59/38/651515938.db2.gz XYBJMXMWASJVOB-LBPRGKRZSA-N 1 2 391.269 2.353 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CCc3c2cccc3Br)CCO1 ZINC000727941928 651533504 /nfs/dbraw/zinc/53/35/04/651533504.db2.gz MLGSEACQHSRZSN-BLLLJJGKSA-N 1 2 382.302 2.456 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCc3c2cccc3Br)CCO1 ZINC000727941928 651533513 /nfs/dbraw/zinc/53/35/13/651533513.db2.gz MLGSEACQHSRZSN-BLLLJJGKSA-N 1 2 382.302 2.456 20 0 GEADLO O=C(/C=C/c1ccc(Br)o1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000728538928 651545354 /nfs/dbraw/zinc/54/53/54/651545354.db2.gz KRWSJSJBZIJFIL-DUXPYHPUSA-N 1 2 395.257 2.223 20 0 GEADLO O=C(Cc1noc2ccc(Br)cc21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000644674499 651562798 /nfs/dbraw/zinc/56/27/98/651562798.db2.gz FBHVSJKAGQHHPO-CYBMUJFWSA-N 1 2 394.269 2.066 20 0 GEADLO O=C(Cc1noc2ccc(Br)cc12)N[C@H]1CCc2c[nH+]cn2C1 ZINC000644718349 651564688 /nfs/dbraw/zinc/56/46/88/651564688.db2.gz SYIVTCZSTCWVQT-NSHDSACASA-N 1 2 375.226 2.461 20 0 GEADLO O=S(=O)(CCc1ccc(Cl)cc1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000644858622 651572967 /nfs/dbraw/zinc/57/29/67/651572967.db2.gz RFOAVDQVCMFAMK-MSOLQXFVSA-N 1 2 386.945 2.445 20 0 GEADLO CCNC(=O)CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000644887996 651575449 /nfs/dbraw/zinc/57/54/49/651575449.db2.gz WMDNPVYJPSRSSQ-UHFFFAOYSA-N 1 2 393.285 2.201 20 0 GEADLO O=C(c1sc(N2CCCC2)nc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000730085755 651589943 /nfs/dbraw/zinc/58/99/43/651589943.db2.gz GLDZGYBTYUOUDT-STQMWFEESA-N 1 2 384.933 2.068 20 0 GEADLO O=C(c1sc(N2CCCC2)nc1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000730085753 651590093 /nfs/dbraw/zinc/59/00/93/651590093.db2.gz GLDZGYBTYUOUDT-QWHCGFSZSA-N 1 2 384.933 2.068 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000565686634 651598058 /nfs/dbraw/zinc/59/80/58/651598058.db2.gz QSIWFXHZUZYBDA-UHFFFAOYSA-N 1 2 380.539 2.124 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000565686634 651598063 /nfs/dbraw/zinc/59/80/63/651598063.db2.gz QSIWFXHZUZYBDA-UHFFFAOYSA-N 1 2 380.539 2.124 20 0 GEADLO COc1ncc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000645431647 651604038 /nfs/dbraw/zinc/60/40/38/651604038.db2.gz IJYDSSTWKRADLS-AWEZNQCLSA-N 1 2 385.873 2.452 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=S)Nc2ccccc2Cl)CC1 ZINC000731568931 651628704 /nfs/dbraw/zinc/62/87/04/651628704.db2.gz GRDULEHQZATVCS-UHFFFAOYSA-N 1 2 375.947 2.135 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1sccc1Br)C2 ZINC000567599646 651628759 /nfs/dbraw/zinc/62/87/59/651628759.db2.gz NXXTYMDGANQENE-JTQLQIEISA-N 1 2 384.299 2.295 20 0 GEADLO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000567611325 651629856 /nfs/dbraw/zinc/62/98/56/651629856.db2.gz ZDHMVNVZXVVQND-KBPBESRZSA-N 1 2 380.495 2.271 20 0 GEADLO CSC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000567643299 651631710 /nfs/dbraw/zinc/63/17/10/651631710.db2.gz QAGZWGCYHTXJHN-CABCVRRESA-N 1 2 381.929 2.213 20 0 GEADLO CSC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000567643299 651631713 /nfs/dbraw/zinc/63/17/13/651631713.db2.gz QAGZWGCYHTXJHN-CABCVRRESA-N 1 2 381.929 2.213 20 0 GEADLO CO[C@H](CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000645632874 651632111 /nfs/dbraw/zinc/63/21/11/651632111.db2.gz SLFGZWVXGJNDTO-BRWVUGGUSA-N 1 2 376.469 2.300 20 0 GEADLO CO[C@H](CS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000645632874 651632113 /nfs/dbraw/zinc/63/21/13/651632113.db2.gz SLFGZWVXGJNDTO-BRWVUGGUSA-N 1 2 376.469 2.300 20 0 GEADLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CC[S@@]1=O ZINC000610081536 651644282 /nfs/dbraw/zinc/64/42/82/651644282.db2.gz FFBKSTUSCSECIS-UZJPJQLHSA-N 1 2 377.279 2.370 20 0 GEADLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)CC[S@@]1=O ZINC000610081536 651644285 /nfs/dbraw/zinc/64/42/85/651644285.db2.gz FFBKSTUSCSECIS-UZJPJQLHSA-N 1 2 377.279 2.370 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)Cc2ccc(Br)cc2Cl)c1 ZINC000645753020 651647458 /nfs/dbraw/zinc/64/74/58/651647458.db2.gz NWGGPDBRAVTEPA-UHFFFAOYSA-N 1 2 392.706 2.498 20 0 GEADLO C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000568346844 651662771 /nfs/dbraw/zinc/66/27/71/651662771.db2.gz HZTCHAUBEKVUSN-OAHLLOKOSA-N 1 2 384.567 2.086 20 0 GEADLO O=c1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)nc2ccc(Br)cn12 ZINC000568967843 651692821 /nfs/dbraw/zinc/69/28/21/651692821.db2.gz ABVPKEJEXHGASJ-HNNXBMFYSA-N 1 2 378.270 2.458 20 0 GEADLO O=c1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)nc2ccc(Br)cn12 ZINC000568967843 651692824 /nfs/dbraw/zinc/69/28/24/651692824.db2.gz ABVPKEJEXHGASJ-HNNXBMFYSA-N 1 2 378.270 2.458 20 0 GEADLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@H](N)c1cscn1)CC2 ZINC000646547765 651700670 /nfs/dbraw/zinc/70/06/70/651700670.db2.gz JQUKYRQPQPZNRV-DZGCQCFKSA-N 1 2 377.539 2.113 20 0 GEADLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@H](N)c1cscn1)CC2 ZINC000646547765 651700679 /nfs/dbraw/zinc/70/06/79/651700679.db2.gz JQUKYRQPQPZNRV-DZGCQCFKSA-N 1 2 377.539 2.113 20 0 GEADLO CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)c2cccs2)CC1 ZINC000646572138 651702648 /nfs/dbraw/zinc/70/26/48/651702648.db2.gz WSYQBNDNTVCYSS-HOTGVXAUSA-N 1 2 384.567 2.462 20 0 GEADLO O=C(CCc1cscn1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000733527924 651712515 /nfs/dbraw/zinc/71/25/15/651712515.db2.gz LJGNLNQYTZVSDX-UHFFFAOYSA-N 1 2 379.507 2.025 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CSCC(F)(F)F)CC1 ZINC000611182813 651713286 /nfs/dbraw/zinc/71/32/86/651713286.db2.gz ZYZDFTHZEDDKKY-UHFFFAOYSA-N 1 2 375.416 2.308 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646910193 651726977 /nfs/dbraw/zinc/72/69/77/651726977.db2.gz LEOUCBIFIVZYPQ-UHFFFAOYSA-N 1 2 378.230 2.390 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H]3CS(N)(=O)=O)c2cc1Cl ZINC000733895117 651728227 /nfs/dbraw/zinc/72/82/27/651728227.db2.gz QISQAKOPRJAXKY-ZDUSSCGKSA-N 1 2 384.885 2.262 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]3CS(N)(=O)=O)c2cc1Cl ZINC000733895117 651728231 /nfs/dbraw/zinc/72/82/31/651728231.db2.gz QISQAKOPRJAXKY-ZDUSSCGKSA-N 1 2 384.885 2.262 20 0 GEADLO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000647335281 651744700 /nfs/dbraw/zinc/74/47/00/651744700.db2.gz VUJKETKRFFRTSA-COLVAYQJSA-N 1 2 381.274 2.403 20 0 GEADLO OCCNc1nc(NCc2csc(Br)c2)[nH+]c2ccccc21 ZINC000570150175 651749999 /nfs/dbraw/zinc/74/99/99/651749999.db2.gz XJRGREXAIRNCPY-UHFFFAOYSA-N 1 2 379.283 2.314 20 0 GEADLO C[C@H](CC(=O)N1CCNC(=O)c2ccc(Br)cc21)n1cc[nH+]c1 ZINC000570166758 651751195 /nfs/dbraw/zinc/75/11/95/651751195.db2.gz WJNIOWIRCZNTPP-LLVKDONJSA-N 1 2 377.242 2.373 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000570345759 651762122 /nfs/dbraw/zinc/76/21/22/651762122.db2.gz VAVACTXWHCSUJT-VHSXEESVSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000570345759 651762126 /nfs/dbraw/zinc/76/21/26/651762126.db2.gz VAVACTXWHCSUJT-VHSXEESVSA-N 1 2 395.294 2.310 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ncc(Br)c2ccsc21 ZINC000647871496 651763765 /nfs/dbraw/zinc/76/37/65/651763765.db2.gz CZIGAVWXBHNLOB-LLVKDONJSA-N 1 2 386.315 2.188 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1c[nH+]cn1C ZINC000570470078 651770101 /nfs/dbraw/zinc/77/01/01/651770101.db2.gz WYMCYHFYIDESEH-UHFFFAOYSA-N 1 2 392.264 2.035 20 0 GEADLO O=C(N[C@H]1CCSc2ccc(Cl)cc21)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000570747479 651789024 /nfs/dbraw/zinc/78/90/24/651789024.db2.gz FPOYCDWNQRMULE-HNNXBMFYSA-N 1 2 379.913 2.300 20 0 GEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000614701314 651833960 /nfs/dbraw/zinc/83/39/60/651833960.db2.gz SXMGNBHBTPGBNV-BMFZPTHFSA-N 1 2 391.269 2.249 20 0 GEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(Br)cc2c1OCCO2 ZINC000614701496 651834020 /nfs/dbraw/zinc/83/40/20/651834020.db2.gz WBQLTMSBKQXAGI-NSHDSACASA-N 1 2 378.226 2.162 20 0 GEADLO C[C@@H](CC(=O)Nc1cc(N2CCOCC2)c(Br)cn1)n1cc[nH+]c1 ZINC000571568445 651840469 /nfs/dbraw/zinc/84/04/69/651840469.db2.gz PQSSPDNOFORSPS-LBPRGKRZSA-N 1 2 394.273 2.467 20 0 GEADLO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000615263376 651858302 /nfs/dbraw/zinc/85/83/02/651858302.db2.gz AVGSYFLLAPCFRH-ZIAGYGMSSA-N 1 2 387.249 2.229 20 0 GEADLO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000615263376 651858306 /nfs/dbraw/zinc/85/83/06/651858306.db2.gz AVGSYFLLAPCFRH-ZIAGYGMSSA-N 1 2 387.249 2.229 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc(Br)oc1C)C2 ZINC000572126667 651874829 /nfs/dbraw/zinc/87/48/29/651874829.db2.gz IZGMVQBINYSVCF-LLVKDONJSA-N 1 2 382.258 2.135 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651261290 651877733 /nfs/dbraw/zinc/87/77/33/651877733.db2.gz XOHJEQNYECMNAT-GXTWGEPZSA-N 1 2 383.286 2.152 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651261290 651877734 /nfs/dbraw/zinc/87/77/34/651877734.db2.gz XOHJEQNYECMNAT-GXTWGEPZSA-N 1 2 383.286 2.152 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651279969 651879027 /nfs/dbraw/zinc/87/90/27/651879027.db2.gz YGBKONLTSLSWOL-UKRRQHHQSA-N 1 2 396.329 2.067 20 0 GEADLO CC[N@H+](CC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)C1CC1 ZINC000572218281 651879267 /nfs/dbraw/zinc/87/92/67/651879267.db2.gz LZWSDUZUTRBLOV-UHFFFAOYSA-N 1 2 396.333 2.019 20 0 GEADLO CC[N@@H+](CC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)C1CC1 ZINC000572218281 651879268 /nfs/dbraw/zinc/87/92/68/651879268.db2.gz LZWSDUZUTRBLOV-UHFFFAOYSA-N 1 2 396.333 2.019 20 0 GEADLO CC[N@H+](C[C@H]1CCOC1)Cn1ncc(Br)c(Br)c1=O ZINC000738079247 651879361 /nfs/dbraw/zinc/87/93/61/651879361.db2.gz AYAFJOUVCCOPCD-SECBINFHSA-N 1 2 395.095 2.084 20 0 GEADLO CC[N@@H+](C[C@H]1CCOC1)Cn1ncc(Br)c(Br)c1=O ZINC000738079247 651879363 /nfs/dbraw/zinc/87/93/63/651879363.db2.gz AYAFJOUVCCOPCD-SECBINFHSA-N 1 2 395.095 2.084 20 0 GEADLO C[C@@H]1[C@H](C)C[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)[C@H]1C ZINC000572264948 651881963 /nfs/dbraw/zinc/88/19/63/651881963.db2.gz KQOXYOZZBABNGC-LVQVYYBASA-N 1 2 384.567 2.240 20 0 GEADLO C[C@@H]1[C@H](C)C[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)[C@H]1C ZINC000572264948 651881969 /nfs/dbraw/zinc/88/19/69/651881969.db2.gz KQOXYOZZBABNGC-LVQVYYBASA-N 1 2 384.567 2.240 20 0 GEADLO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000651490119 651882958 /nfs/dbraw/zinc/88/29/58/651882958.db2.gz AVRFTMBILOQUTR-GJZGRUSLSA-N 1 2 395.297 2.248 20 0 GEADLO CS(=O)(=O)c1cccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000738391217 651895243 /nfs/dbraw/zinc/89/52/43/651895243.db2.gz HRWJRBVXKDQSSL-UHFFFAOYSA-N 1 2 378.431 2.044 20 0 GEADLO O=C(CS[C@@H]1CCS(=O)(=O)C1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000739801348 651907521 /nfs/dbraw/zinc/90/75/21/651907521.db2.gz WEQAUIZORWZBQU-QGZVFWFLSA-N 1 2 382.551 2.036 20 0 GEADLO COC(=O)[C@H](C)[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CCC1 ZINC000616804526 651910461 /nfs/dbraw/zinc/91/04/61/651910461.db2.gz RRLGPINLZOECFY-NSHDSACASA-N 1 2 394.269 2.373 20 0 GEADLO COC(=O)[C@H](C)[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CCC1 ZINC000616804526 651910465 /nfs/dbraw/zinc/91/04/65/651910465.db2.gz RRLGPINLZOECFY-NSHDSACASA-N 1 2 394.269 2.373 20 0 GEADLO C[C@](CO)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000616829872 651911880 /nfs/dbraw/zinc/91/18/80/651911880.db2.gz VTAKNENKFBOUAD-YVEFUNNKSA-N 1 2 378.270 2.232 20 0 GEADLO C[C@@](CO)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000616829866 651911922 /nfs/dbraw/zinc/91/19/22/651911922.db2.gz VTAKNENKFBOUAD-PXAZEXFGSA-N 1 2 378.270 2.232 20 0 GEADLO C[C@H](CC(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O)n1cc[nH+]c1 ZINC000572966785 651926055 /nfs/dbraw/zinc/92/60/55/651926055.db2.gz HKZQZIHJKWAGSS-BXUZGUMPSA-N 1 2 377.242 2.128 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000653002166 651931702 /nfs/dbraw/zinc/93/17/02/651931702.db2.gz SGCRWEQUQRGGNP-UHFFFAOYSA-N 1 2 381.523 2.292 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000653001778 651931994 /nfs/dbraw/zinc/93/19/94/651931994.db2.gz DGEGKXUAFZFUOU-UHFFFAOYSA-N 1 2 389.265 2.009 20 0 GEADLO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000573409477 651953032 /nfs/dbraw/zinc/95/30/32/651953032.db2.gz OXFZUFZKJUZVPQ-CYBMUJFWSA-N 1 2 399.314 2.087 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2c[nH]c3ncc(Br)cc23)[C@H](C)CO1 ZINC000617724077 651967279 /nfs/dbraw/zinc/96/72/79/651967279.db2.gz VLXMNINENYBULD-GHMZBOCLSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2c[nH]c3ncc(Br)cc23)[C@H](C)CO1 ZINC000617724077 651967284 /nfs/dbraw/zinc/96/72/84/651967284.db2.gz VLXMNINENYBULD-GHMZBOCLSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000654974543 651968687 /nfs/dbraw/zinc/96/86/87/651968687.db2.gz GZUJRCTXVOMTPE-XHDPSFHLSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000654974543 651968688 /nfs/dbraw/zinc/96/86/88/651968688.db2.gz GZUJRCTXVOMTPE-XHDPSFHLSA-N 1 2 391.269 2.051 20 0 GEADLO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000573756770 651978308 /nfs/dbraw/zinc/97/83/08/651978308.db2.gz KESVFMCTDICKNF-ZDUSSCGKSA-N 1 2 381.885 2.079 20 0 GEADLO COc1c(N)[nH+]cnc1NCCC(=O)Nc1ccc(Br)cc1C ZINC000573981283 651993344 /nfs/dbraw/zinc/99/33/44/651993344.db2.gz LXBLCCLGJIXEGV-UHFFFAOYSA-N 1 2 380.246 2.579 20 0 GEADLO COc1c(N)nc[nH+]c1NCCC(=O)Nc1ccc(Br)cc1C ZINC000573981283 651993346 /nfs/dbraw/zinc/99/33/46/651993346.db2.gz LXBLCCLGJIXEGV-UHFFFAOYSA-N 1 2 380.246 2.579 20 0 GEADLO O=Cc1ccc(OCC(=O)N2CC(Oc3cc[nH+]cc3)C2)c(Br)c1 ZINC000742627204 651994978 /nfs/dbraw/zinc/99/49/78/651994978.db2.gz HCTDUYHGBKNLFW-UHFFFAOYSA-N 1 2 391.221 2.325 20 0 GEADLO C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)c(F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655638925 652003048 /nfs/dbraw/zinc/00/30/48/652003048.db2.gz KBKDZZGHUSBDNE-RWMBFGLXSA-N 1 2 378.897 2.396 20 0 GEADLO C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)c(F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655638925 652003054 /nfs/dbraw/zinc/00/30/54/652003054.db2.gz KBKDZZGHUSBDNE-RWMBFGLXSA-N 1 2 378.897 2.396 20 0 GEADLO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000656250389 652027878 /nfs/dbraw/zinc/02/78/78/652027878.db2.gz PFGOVSNYJVELML-OAHLLOKOSA-N 1 2 382.917 2.348 20 0 GEADLO Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000656250389 652027897 /nfs/dbraw/zinc/02/78/97/652027897.db2.gz PFGOVSNYJVELML-OAHLLOKOSA-N 1 2 382.917 2.348 20 0 GEADLO O=S(=O)(c1c(F)cccc1F)N1CC[NH+](CCCCCCCO)CC1 ZINC000743840168 652028213 /nfs/dbraw/zinc/02/82/13/652028213.db2.gz ZKQGIPANCMKLAJ-UHFFFAOYSA-N 1 2 376.469 2.214 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000656546997 652037656 /nfs/dbraw/zinc/03/76/56/652037656.db2.gz GOJJQVJDVKUUCV-UHFFFAOYSA-N 1 2 378.274 2.177 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)c2ncccc2Br)C[C@H]1n1cc[nH+]c1 ZINC000656934642 652067622 /nfs/dbraw/zinc/06/76/22/652067622.db2.gz KDAOBHDLDJQFHI-DGCLKSJQSA-N 1 2 385.287 2.312 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745078172 652068638 /nfs/dbraw/zinc/06/86/38/652068638.db2.gz BRKYRHZFYORLSR-HNNXBMFYSA-N 1 2 383.286 2.435 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745078172 652068645 /nfs/dbraw/zinc/06/86/45/652068645.db2.gz BRKYRHZFYORLSR-HNNXBMFYSA-N 1 2 383.286 2.435 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCn2nncc2C1 ZINC000575881962 652084378 /nfs/dbraw/zinc/08/43/78/652084378.db2.gz DAQCLUVHLYYOTA-UHFFFAOYSA-N 1 2 381.274 2.472 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@H+]1CCn2nncc2C1 ZINC000575881962 652084383 /nfs/dbraw/zinc/08/43/83/652084383.db2.gz DAQCLUVHLYYOTA-UHFFFAOYSA-N 1 2 381.274 2.472 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2cc(Cl)ccc2OC(F)F)CCO1 ZINC000745791045 652086024 /nfs/dbraw/zinc/08/60/24/652086024.db2.gz HSJWOYABOBDSTK-NSHDSACASA-N 1 2 377.819 2.461 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2cc(Cl)ccc2OC(F)F)CCO1 ZINC000745791045 652086026 /nfs/dbraw/zinc/08/60/26/652086026.db2.gz HSJWOYABOBDSTK-NSHDSACASA-N 1 2 377.819 2.461 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)c1ncccc1S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000575969551 652088286 /nfs/dbraw/zinc/08/82/86/652088286.db2.gz XBPHPAIFRJMKCH-AWEZNQCLSA-N 1 2 381.885 2.171 20 0 GEADLO Cc1sc2nc([C@@H](C)N3CC[NH+](CC[S@](C)=O)CC3)[nH]c(=O)c2c1C ZINC000746467590 652109027 /nfs/dbraw/zinc/10/90/27/652109027.db2.gz LPJMPBYBIISXCN-YDBLSZJJSA-N 1 2 382.555 2.071 20 0 GEADLO CN(CC(F)F)C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000746483059 652109917 /nfs/dbraw/zinc/10/99/17/652109917.db2.gz YRQWFRZWEVWSSW-UHFFFAOYSA-N 1 2 391.260 2.444 20 0 GEADLO CCc1cc(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)on1 ZINC000576807402 652143994 /nfs/dbraw/zinc/14/39/94/652143994.db2.gz OZWFYQOTAURXEA-VIFPVBQESA-N 1 2 388.287 2.498 20 0 GEADLO Cn1ccnc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1=O ZINC000621314795 652148574 /nfs/dbraw/zinc/14/85/74/652148574.db2.gz ICLPOBIDSWDFMM-UHFFFAOYSA-N 1 2 378.230 2.039 20 0 GEADLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@@H]1CO ZINC000621366329 652152173 /nfs/dbraw/zinc/15/21/73/652152173.db2.gz JMTIYSOZRGNSGF-QWHCGFSZSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@@H]1CO ZINC000621366329 652152176 /nfs/dbraw/zinc/15/21/76/652152176.db2.gz JMTIYSOZRGNSGF-QWHCGFSZSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@@H](NC(=O)c1cc2c(cc1Br)OCO2)[C@@H](C)[NH+]1CCOCC1 ZINC000621856792 652169401 /nfs/dbraw/zinc/16/94/01/652169401.db2.gz DRQUYBVMCJQQGJ-GHMZBOCLSA-N 1 2 385.258 2.017 20 0 GEADLO C[N@@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CC1(Cl)Cl ZINC000747669589 652174998 /nfs/dbraw/zinc/17/49/98/652174998.db2.gz QPCKUJIBHDLXHJ-GFCCVEGCSA-N 1 2 380.316 2.191 20 0 GEADLO C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CC1(Cl)Cl ZINC000747669589 652175007 /nfs/dbraw/zinc/17/50/07/652175007.db2.gz QPCKUJIBHDLXHJ-GFCCVEGCSA-N 1 2 380.316 2.191 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2c[nH+]cn2C)c1 ZINC000747781354 652178555 /nfs/dbraw/zinc/17/85/55/652178555.db2.gz JWONQOMZDLDFCX-UHFFFAOYSA-N 1 2 385.873 2.461 20 0 GEADLO COC(=O)c1nn(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(C)c1Br ZINC000747833634 652180845 /nfs/dbraw/zinc/18/08/45/652180845.db2.gz YLNMNYHALDNBLD-CHWSQXEVSA-N 1 2 386.290 2.447 20 0 GEADLO COC(=O)c1nn(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(C)c1Br ZINC000747833634 652180848 /nfs/dbraw/zinc/18/08/48/652180848.db2.gz YLNMNYHALDNBLD-CHWSQXEVSA-N 1 2 386.290 2.447 20 0 GEADLO Cc1nc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)sc1S(N)(=O)=O ZINC000577720752 652210145 /nfs/dbraw/zinc/21/01/45/652210145.db2.gz JZXCJMLSSYICHF-GFCCVEGCSA-N 1 2 384.502 2.121 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000577751433 652213129 /nfs/dbraw/zinc/21/31/29/652213129.db2.gz FBEJCGJXOUGJQI-INIZCTEOSA-N 1 2 394.896 2.077 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000577864504 652224154 /nfs/dbraw/zinc/22/41/54/652224154.db2.gz NJYDSQOQVKKERZ-NEPJUHHUSA-N 1 2 398.276 2.457 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000577864504 652224163 /nfs/dbraw/zinc/22/41/63/652224163.db2.gz NJYDSQOQVKKERZ-NEPJUHHUSA-N 1 2 398.276 2.457 20 0 GEADLO Cc1nc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)nn1-c1c(Cl)cccc1Cl ZINC000623268762 652230057 /nfs/dbraw/zinc/23/00/57/652230057.db2.gz VNVKOTPVTWJWEV-JTQLQIEISA-N 1 2 377.235 2.434 20 0 GEADLO C[N@@H+]1CCO[C@@H](c2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000578176938 652250472 /nfs/dbraw/zinc/25/04/72/652250472.db2.gz IEISSHRQMISDNL-LLVKDONJSA-N 1 2 391.229 2.287 20 0 GEADLO C[N@H+]1CCO[C@@H](c2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)C1 ZINC000578176938 652250493 /nfs/dbraw/zinc/25/04/93/652250493.db2.gz IEISSHRQMISDNL-LLVKDONJSA-N 1 2 391.229 2.287 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000658379930 652260674 /nfs/dbraw/zinc/26/06/74/652260674.db2.gz ATULTDBKCTXPMU-ZDUSSCGKSA-N 1 2 383.258 2.051 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000578420267 652270319 /nfs/dbraw/zinc/27/03/19/652270319.db2.gz MOVZGGFFBWOKOX-JKSUJKDBSA-N 1 2 382.302 2.279 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000624140197 652273150 /nfs/dbraw/zinc/27/31/50/652273150.db2.gz JRIJFONOHFGFHF-QQDQCYIDSA-N 1 2 379.298 2.172 20 0 GEADLO [NH3+][C@H](C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)c1cscn1 ZINC000578623244 652283886 /nfs/dbraw/zinc/28/38/86/652283886.db2.gz SGCDJWSRMQIZOZ-AWEZNQCLSA-N 1 2 379.873 2.069 20 0 GEADLO Cc1c(Cl)c(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)nn1C ZINC000578857030 652299094 /nfs/dbraw/zinc/29/90/94/652299094.db2.gz YEIWAEBGHQREGW-GFCCVEGCSA-N 1 2 388.946 2.386 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000751417201 652346327 /nfs/dbraw/zinc/34/63/27/652346327.db2.gz HISWVQMORVZWGN-OAHLLOKOSA-N 1 2 379.309 2.071 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000626169494 652383430 /nfs/dbraw/zinc/38/34/30/652383430.db2.gz MFFWYBLBDCRXHR-NWDGAFQWSA-N 1 2 391.896 2.067 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000626169494 652383433 /nfs/dbraw/zinc/38/34/33/652383433.db2.gz MFFWYBLBDCRXHR-NWDGAFQWSA-N 1 2 391.896 2.067 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000626169764 652383772 /nfs/dbraw/zinc/38/37/72/652383772.db2.gz RMZBRDZXJRKPDI-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000626169764 652383774 /nfs/dbraw/zinc/38/37/74/652383774.db2.gz RMZBRDZXJRKPDI-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000626169682 652383888 /nfs/dbraw/zinc/38/38/88/652383888.db2.gz QEGPPQSRLTWLMB-ZIAGYGMSSA-N 1 2 387.933 2.237 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000626169682 652383889 /nfs/dbraw/zinc/38/38/89/652383889.db2.gz QEGPPQSRLTWLMB-ZIAGYGMSSA-N 1 2 387.933 2.237 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1ccccc1Br ZINC000626183759 652384569 /nfs/dbraw/zinc/38/45/69/652384569.db2.gz SIQDCNQFRRJWEE-QGZVFWFLSA-N 1 2 398.301 2.186 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1ccccc1Br ZINC000626183759 652384573 /nfs/dbraw/zinc/38/45/73/652384573.db2.gz SIQDCNQFRRJWEE-QGZVFWFLSA-N 1 2 398.301 2.186 20 0 GEADLO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)s1 ZINC000660121744 652388610 /nfs/dbraw/zinc/38/86/10/652388610.db2.gz ADSKNULXYLXYOD-QGZVFWFLSA-N 1 2 379.551 2.151 20 0 GEADLO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)s1 ZINC000660121744 652388615 /nfs/dbraw/zinc/38/86/15/652388615.db2.gz ADSKNULXYLXYOD-QGZVFWFLSA-N 1 2 379.551 2.151 20 0 GEADLO C[C@@H]1C[N@@H+](CCN2CCNC(=O)[C@@H]2c2ccccc2Br)C[C@H](C)O1 ZINC000660162071 652392011 /nfs/dbraw/zinc/39/20/11/652392011.db2.gz RSZZNDITQQTROO-VBQJREDUSA-N 1 2 396.329 2.031 20 0 GEADLO C[C@@H]1C[N@H+](CCN2CCNC(=O)[C@@H]2c2ccccc2Br)C[C@H](C)O1 ZINC000660162071 652392015 /nfs/dbraw/zinc/39/20/15/652392015.db2.gz RSZZNDITQQTROO-VBQJREDUSA-N 1 2 396.329 2.031 20 0 GEADLO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2nn(C)c(C)c2Cl)c(C)s1 ZINC000580886715 652395083 /nfs/dbraw/zinc/39/50/83/652395083.db2.gz SYHFSHDIZQFKAU-UHFFFAOYSA-N 1 2 376.935 2.128 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2nsc3ccccc23)C1 ZINC000660407690 652401162 /nfs/dbraw/zinc/40/11/62/652401162.db2.gz BGEZFDADYOWFLB-CQSZACIVSA-N 1 2 383.539 2.169 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2nsc3ccccc23)C1 ZINC000660407690 652401164 /nfs/dbraw/zinc/40/11/64/652401164.db2.gz BGEZFDADYOWFLB-CQSZACIVSA-N 1 2 383.539 2.169 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660429341 652401968 /nfs/dbraw/zinc/40/19/68/652401968.db2.gz RHXFSBVWPRRAFZ-RHSMWYFYSA-N 1 2 396.329 2.496 20 0 GEADLO NS(=O)(=O)c1cc(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)co1 ZINC000660670315 652409442 /nfs/dbraw/zinc/40/94/42/652409442.db2.gz FFGYTEYKGVCZOE-CYBMUJFWSA-N 1 2 378.372 2.159 20 0 GEADLO C[C@H](Cc1ccccc1Br)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660892380 652413654 /nfs/dbraw/zinc/41/36/54/652413654.db2.gz IVBRZEYXBRRUDK-GDBMZVCRSA-N 1 2 396.329 2.496 20 0 GEADLO C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000661085165 652419096 /nfs/dbraw/zinc/41/90/96/652419096.db2.gz HXBLIEZOQZUZSY-WDEREUQCSA-N 1 2 378.420 2.339 20 0 GEADLO O=C(c1[nH]nc(C2CC2)c1Br)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000582015175 652431976 /nfs/dbraw/zinc/43/19/76/652431976.db2.gz XQOWPEFYOKZAGG-LBPRGKRZSA-N 1 2 376.258 2.231 20 0 GEADLO C[N@H+](CCn1nc2ccccn2c1=O)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661639214 652436085 /nfs/dbraw/zinc/43/60/85/652436085.db2.gz PLXQJEHOHGZKMW-CQSZACIVSA-N 1 2 381.263 2.468 20 0 GEADLO C[N@@H+](CCn1nc2ccccn2c1=O)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661639214 652436087 /nfs/dbraw/zinc/43/60/87/652436087.db2.gz PLXQJEHOHGZKMW-CQSZACIVSA-N 1 2 381.263 2.468 20 0 GEADLO CCS(=O)(=O)CCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000582228422 652441281 /nfs/dbraw/zinc/44/12/81/652441281.db2.gz OCXDTWSZAFKFPK-HNNXBMFYSA-N 1 2 375.922 2.067 20 0 GEADLO Cn1c[nH+]cc1COC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000754686386 652442638 /nfs/dbraw/zinc/44/26/38/652442638.db2.gz YWJPAYICSIYRHZ-UHFFFAOYSA-N 1 2 381.230 2.438 20 0 GEADLO CC(C)NC(=O)CNC(=S)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754691672 652442987 /nfs/dbraw/zinc/44/29/87/652442987.db2.gz ISTQJEYWXJCLRQ-HOCLYGCPSA-N 1 2 386.924 2.213 20 0 GEADLO CC(C)NC(=O)CNC(=S)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754691672 652442990 /nfs/dbraw/zinc/44/29/90/652442990.db2.gz ISTQJEYWXJCLRQ-HOCLYGCPSA-N 1 2 386.924 2.213 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1)C1CC1 ZINC000582268934 652443123 /nfs/dbraw/zinc/44/31/23/652443123.db2.gz JXJMKOUUBNHINY-LLVKDONJSA-N 1 2 377.304 2.336 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ccc(Br)o2)C1)C1CC1 ZINC000582268934 652443126 /nfs/dbraw/zinc/44/31/26/652443126.db2.gz JXJMKOUUBNHINY-LLVKDONJSA-N 1 2 377.304 2.336 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000662013791 652445093 /nfs/dbraw/zinc/44/50/93/652445093.db2.gz LTWSACWJKSCWMN-AWEZNQCLSA-N 1 2 383.290 2.075 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000662013791 652445095 /nfs/dbraw/zinc/44/50/95/652445095.db2.gz LTWSACWJKSCWMN-AWEZNQCLSA-N 1 2 383.290 2.075 20 0 GEADLO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2F)C1 ZINC000628241714 652455796 /nfs/dbraw/zinc/45/57/96/652455796.db2.gz FHXRHDBHQHLXGL-MRVPVSSYSA-N 1 2 384.171 2.484 20 0 GEADLO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ncc(Br)cc2F)C1 ZINC000628241714 652455797 /nfs/dbraw/zinc/45/57/97/652455797.db2.gz FHXRHDBHQHLXGL-MRVPVSSYSA-N 1 2 384.171 2.484 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000628496158 652459507 /nfs/dbraw/zinc/45/95/07/652459507.db2.gz JTHNYXDBLRHHOJ-NSHDSACASA-N 1 2 384.395 2.486 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000628496158 652459509 /nfs/dbraw/zinc/45/95/09/652459509.db2.gz JTHNYXDBLRHHOJ-NSHDSACASA-N 1 2 384.395 2.486 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000628496157 652459724 /nfs/dbraw/zinc/45/97/24/652459724.db2.gz JTHNYXDBLRHHOJ-LLVKDONJSA-N 1 2 384.395 2.486 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000628496157 652459727 /nfs/dbraw/zinc/45/97/27/652459727.db2.gz JTHNYXDBLRHHOJ-LLVKDONJSA-N 1 2 384.395 2.486 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCSC2)[C@H]1c1ccc(Cl)cc1 ZINC000582926276 652467481 /nfs/dbraw/zinc/46/74/81/652467481.db2.gz JJKRSHLJMJEOCG-VBNZEHGJSA-N 1 2 381.929 2.071 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCSC2)[C@H]1c1ccc(Cl)cc1 ZINC000582926276 652467483 /nfs/dbraw/zinc/46/74/83/652467483.db2.gz JJKRSHLJMJEOCG-VBNZEHGJSA-N 1 2 381.929 2.071 20 0 GEADLO CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000662646129 652469943 /nfs/dbraw/zinc/46/99/43/652469943.db2.gz MTABTPXNOYIORB-CYBMUJFWSA-N 1 2 380.495 2.271 20 0 GEADLO C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O)[NH+]1CC(C)C1 ZINC000583213153 652477459 /nfs/dbraw/zinc/47/74/59/652477459.db2.gz YYFUXQOALIMEGS-SNVBAGLBSA-N 1 2 379.404 2.356 20 0 GEADLO COCCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC000583243831 652478432 /nfs/dbraw/zinc/47/84/32/652478432.db2.gz UWUVEFHOICZDGS-HIFRSBDPSA-N 1 2 381.270 2.012 20 0 GEADLO COCCN1C(=O)C[C@H]([N@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC000583243831 652478434 /nfs/dbraw/zinc/47/84/34/652478434.db2.gz UWUVEFHOICZDGS-HIFRSBDPSA-N 1 2 381.270 2.012 20 0 GEADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000583279889 652480086 /nfs/dbraw/zinc/48/00/86/652480086.db2.gz UEQTVGVXPPNYSU-GFCCVEGCSA-N 1 2 380.279 2.496 20 0 GEADLO Cc1nc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)ccc1I ZINC000583324863 652481512 /nfs/dbraw/zinc/48/15/12/652481512.db2.gz NYBONXRGHHERFR-SNVBAGLBSA-N 1 2 382.205 2.392 20 0 GEADLO C[C@H](CCSc1ccccc1)[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000583417810 652483820 /nfs/dbraw/zinc/48/38/20/652483820.db2.gz AWEFNQLOSCQLFV-OAHLLOKOSA-N 1 2 380.539 2.287 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000583685360 652494090 /nfs/dbraw/zinc/49/40/90/652494090.db2.gz WQPJEGUWUJSVIA-CZUORRHYSA-N 1 2 387.933 2.067 20 0 GEADLO Cc1nc(NC[C@@H](O)COc2ccc3c(c2)OCO3)c(Br)c(C)[nH+]1 ZINC000663427527 652498960 /nfs/dbraw/zinc/49/89/60/652498960.db2.gz VNTTVVYMKQAGCK-LLVKDONJSA-N 1 2 396.241 2.436 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2csc(Br)c2)[C@H](C)CO1 ZINC000663705652 652509759 /nfs/dbraw/zinc/50/97/59/652509759.db2.gz UEHUXFLIIJJLQB-GHMZBOCLSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2csc(Br)c2)[C@H](C)CO1 ZINC000663705652 652509762 /nfs/dbraw/zinc/50/97/62/652509762.db2.gz UEHUXFLIIJJLQB-GHMZBOCLSA-N 1 2 376.320 2.419 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000584369547 652518664 /nfs/dbraw/zinc/51/86/64/652518664.db2.gz OYRXZYYXENRPCO-UHFFFAOYSA-N 1 2 393.285 2.258 20 0 GEADLO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000584386729 652519277 /nfs/dbraw/zinc/51/92/77/652519277.db2.gz ZTPUSMCBDVJXSB-FZMZJTMJSA-N 1 2 397.248 2.132 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000664266252 652524658 /nfs/dbraw/zinc/52/46/58/652524658.db2.gz FBIXNPPDGHKJOP-MNOVXSKESA-N 1 2 380.436 2.113 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000664266252 652524661 /nfs/dbraw/zinc/52/46/61/652524661.db2.gz FBIXNPPDGHKJOP-MNOVXSKESA-N 1 2 380.436 2.113 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(O)c(Br)c2)[C@@H](C)CO1 ZINC000664471407 652528673 /nfs/dbraw/zinc/52/86/73/652528673.db2.gz QVCCQIYLHLYQMP-NWDGAFQWSA-N 1 2 386.290 2.063 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(O)c(Br)c2)[C@@H](C)CO1 ZINC000664471407 652528675 /nfs/dbraw/zinc/52/86/75/652528675.db2.gz QVCCQIYLHLYQMP-NWDGAFQWSA-N 1 2 386.290 2.063 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CCO1 ZINC000585697915 652533802 /nfs/dbraw/zinc/53/38/02/652533802.db2.gz OUDUNPRHYZZFJC-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CCO1 ZINC000585697915 652533806 /nfs/dbraw/zinc/53/38/06/652533806.db2.gz OUDUNPRHYZZFJC-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccnc2I)C1 ZINC000758410702 652540383 /nfs/dbraw/zinc/54/03/83/652540383.db2.gz JRAURPBSCDDCOA-SNVBAGLBSA-N 1 2 382.205 2.049 20 0 GEADLO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000665641790 652555717 /nfs/dbraw/zinc/55/57/17/652555717.db2.gz FMKFUZLYXCMFPY-ZDUSSCGKSA-N 1 2 381.885 2.209 20 0 GEADLO O=S(=O)(C[C@H]1CCCC(F)(F)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000632307708 652556093 /nfs/dbraw/zinc/55/60/93/652556093.db2.gz LEXLCBWRXFDPCX-HOTGVXAUSA-N 1 2 380.501 2.186 20 0 GEADLO CO[C@H](CC(C)C)CS(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680811 652574812 /nfs/dbraw/zinc/57/48/12/652574812.db2.gz VBJFZIMKHWTPSS-MRXNPFEDSA-N 1 2 387.571 2.115 20 0 GEADLO CCS(=O)(=O)CCN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000759510596 652576305 /nfs/dbraw/zinc/57/63/05/652576305.db2.gz ODYSFFHRUFULEF-HNNXBMFYSA-N 1 2 375.922 2.019 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000592197051 652590568 /nfs/dbraw/zinc/59/05/68/652590568.db2.gz LOIGIBRAUZKDPE-NEPJUHHUSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000592197051 652590571 /nfs/dbraw/zinc/59/05/71/652590571.db2.gz LOIGIBRAUZKDPE-NEPJUHHUSA-N 1 2 395.253 2.460 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cnc3c(Br)cccn23)[C@H](C)CO1 ZINC000667097903 652591565 /nfs/dbraw/zinc/59/15/65/652591565.db2.gz GDAJEACNWUHIAE-VXGBXAGGSA-N 1 2 396.289 2.328 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cnc3c(Br)cccn23)[C@H](C)CO1 ZINC000667097903 652591568 /nfs/dbraw/zinc/59/15/68/652591568.db2.gz GDAJEACNWUHIAE-VXGBXAGGSA-N 1 2 396.289 2.328 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1cnc2c(Br)cccn12 ZINC000667097900 652591594 /nfs/dbraw/zinc/59/15/94/652591594.db2.gz GDAJEACNWUHIAE-NEPJUHHUSA-N 1 2 396.289 2.328 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1cnc2c(Br)cccn12 ZINC000667097900 652591595 /nfs/dbraw/zinc/59/15/95/652591595.db2.gz GDAJEACNWUHIAE-NEPJUHHUSA-N 1 2 396.289 2.328 20 0 GEADLO O=C(Nc1cnc2c(Br)cccn12)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000667098106 652591913 /nfs/dbraw/zinc/59/19/13/652591913.db2.gz MRYYJBTWGGRGEG-GFCCVEGCSA-N 1 2 394.273 2.035 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2csc(CCC(F)(F)F)n2)[C@@H](C)CO1 ZINC000633618436 652603915 /nfs/dbraw/zinc/60/39/15/652603915.db2.gz PVFFFPYDTPUTSO-NWDGAFQWSA-N 1 2 379.448 2.406 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2csc(CCC(F)(F)F)n2)[C@@H](C)CO1 ZINC000633618436 652603917 /nfs/dbraw/zinc/60/39/17/652603917.db2.gz PVFFFPYDTPUTSO-NWDGAFQWSA-N 1 2 379.448 2.406 20 0 GEADLO OC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2I)C[C@H]1O ZINC000593026946 652612323 /nfs/dbraw/zinc/61/23/23/652612323.db2.gz ICGCEWOVLYNKBD-NOZJJQNGSA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2I)C[C@H]1O ZINC000593026946 652612328 /nfs/dbraw/zinc/61/23/28/652612328.db2.gz ICGCEWOVLYNKBD-NOZJJQNGSA-N 1 2 381.641 2.120 20 0 GEADLO Cc1c(Br)cncc1C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000667560426 652613242 /nfs/dbraw/zinc/61/32/42/652613242.db2.gz YYDPEHLESDJNRM-UHFFFAOYSA-N 1 2 376.320 2.008 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1c(Cl)cccc1Br ZINC000668253781 652635107 /nfs/dbraw/zinc/63/51/07/652635107.db2.gz JSZMSZOHIUQIDL-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1c(Cl)cccc1Br ZINC000668253781 652635110 /nfs/dbraw/zinc/63/51/10/652635110.db2.gz JSZMSZOHIUQIDL-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000668274673 652636058 /nfs/dbraw/zinc/63/60/58/652636058.db2.gz JKPKPWRMWYEXSU-GHMZBOCLSA-N 1 2 381.064 2.421 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cc2c1OCCO2)[C@@H](C)[NH+]1CCOCC1 ZINC000668320416 652638375 /nfs/dbraw/zinc/63/83/75/652638375.db2.gz ZUAWSYZIPPRHMX-VXGBXAGGSA-N 1 2 399.285 2.059 20 0 GEADLO CN1C(=O)N(C[C@@H]2CN(C)CC[N@@H+]2C)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000761277676 652640873 /nfs/dbraw/zinc/64/08/73/652640873.db2.gz IKFVCEDGRMIMLA-SWLSCSKDSA-N 1 2 385.295 2.174 20 0 GEADLO CN1C(=O)N(C[C@@H]2CN(C)CC[N@H+]2C)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000761277676 652640876 /nfs/dbraw/zinc/64/08/76/652640876.db2.gz IKFVCEDGRMIMLA-SWLSCSKDSA-N 1 2 385.295 2.174 20 0 GEADLO CN1CC[N@H+](C)[C@H](CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000761284146 652641258 /nfs/dbraw/zinc/64/12/58/652641258.db2.gz SPBLISGLSVJTNX-YVEFUNNKSA-N 1 2 385.295 2.006 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000761284146 652641261 /nfs/dbraw/zinc/64/12/61/652641261.db2.gz SPBLISGLSVJTNX-YVEFUNNKSA-N 1 2 385.295 2.006 20 0 GEADLO C[C@H](CNC(=O)Cc1c(Cl)cccc1Br)[NH+]1CCN(C)CC1 ZINC000668696209 652660740 /nfs/dbraw/zinc/66/07/40/652660740.db2.gz ZBUSPICDYNTJSF-GFCCVEGCSA-N 1 2 388.737 2.397 20 0 GEADLO COc1cc(C[N@@H+]2CCO[C@H](C(F)F)CC2)cc(Cl)c1OCC(N)=O ZINC000634735580 652661315 /nfs/dbraw/zinc/66/13/15/652661315.db2.gz KRCPCWVYWZYMBO-LBPRGKRZSA-N 1 2 378.803 2.069 20 0 GEADLO COc1cc(C[N@H+]2CCO[C@H](C(F)F)CC2)cc(Cl)c1OCC(N)=O ZINC000634735580 652661319 /nfs/dbraw/zinc/66/13/19/652661319.db2.gz KRCPCWVYWZYMBO-LBPRGKRZSA-N 1 2 378.803 2.069 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1F ZINC000594469420 652662199 /nfs/dbraw/zinc/66/21/99/652662199.db2.gz YIMXZWHYKZLZIL-ZDUSSCGKSA-N 1 2 392.880 2.226 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1F ZINC000594469420 652662202 /nfs/dbraw/zinc/66/22/02/652662202.db2.gz YIMXZWHYKZLZIL-ZDUSSCGKSA-N 1 2 392.880 2.226 20 0 GEADLO CCC[N@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)CC(C)(C)O ZINC000761951707 652664378 /nfs/dbraw/zinc/66/43/78/652664378.db2.gz ISLDHPXTXXQDCS-UHFFFAOYSA-N 1 2 378.441 2.104 20 0 GEADLO CCC[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)CC(C)(C)O ZINC000761951707 652664389 /nfs/dbraw/zinc/66/43/89/652664389.db2.gz ISLDHPXTXXQDCS-UHFFFAOYSA-N 1 2 378.441 2.104 20 0 GEADLO C[C@H]([C@@H]1C[N@H+](C)CCO1)N1C(=O)[C@@H](c2cccc(Br)c2)N(C)C1=O ZINC000762166951 652677926 /nfs/dbraw/zinc/67/79/26/652677926.db2.gz FXSBQFKDIYHZGQ-BYCMXARLSA-N 1 2 396.285 2.103 20 0 GEADLO C[C@H]([C@@H]1C[N@@H+](C)CCO1)N1C(=O)[C@@H](c2cccc(Br)c2)N(C)C1=O ZINC000762166951 652677933 /nfs/dbraw/zinc/67/79/33/652677933.db2.gz FXSBQFKDIYHZGQ-BYCMXARLSA-N 1 2 396.285 2.103 20 0 GEADLO C[C@]1(c2cccc(Br)c2)NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000762189808 652679978 /nfs/dbraw/zinc/67/99/78/652679978.db2.gz STLRCYXNXUAOHJ-CXAGYDPISA-N 1 2 389.253 2.428 20 0 GEADLO CS(=O)(=O)Nc1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000635171130 652697332 /nfs/dbraw/zinc/69/73/32/652697332.db2.gz PEIXAHNDMQNROC-GFCCVEGCSA-N 1 2 376.360 2.387 20 0 GEADLO CC(C)n1cc(CNc2[nH]c3ccc(I)cc3[nH+]2)nn1 ZINC000594999643 652701818 /nfs/dbraw/zinc/70/18/18/652701818.db2.gz FANQDEKCFZLWBF-UHFFFAOYSA-N 1 2 382.209 2.374 20 0 GEADLO CC(C)n1cc(CNc2[nH]c3cc(I)ccc3[nH+]2)nn1 ZINC000594999643 652701825 /nfs/dbraw/zinc/70/18/25/652701825.db2.gz FANQDEKCFZLWBF-UHFFFAOYSA-N 1 2 382.209 2.374 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669676917 652713135 /nfs/dbraw/zinc/71/31/35/652713135.db2.gz VFDVDRWOCGAXFT-AWEZNQCLSA-N 1 2 388.917 2.082 20 0 GEADLO COC(=O)CCN1CCC[C@H]([N@@H+]2CCc3cccc(Br)c3C2)C1=O ZINC000595321074 652713509 /nfs/dbraw/zinc/71/35/09/652713509.db2.gz KHMITHBMTVBJGX-INIZCTEOSA-N 1 2 395.297 2.361 20 0 GEADLO COC(=O)CCN1CCC[C@H]([N@H+]2CCc3cccc(Br)c3C2)C1=O ZINC000595321074 652713510 /nfs/dbraw/zinc/71/35/10/652713510.db2.gz KHMITHBMTVBJGX-INIZCTEOSA-N 1 2 395.297 2.361 20 0 GEADLO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635429449 652726850 /nfs/dbraw/zinc/72/68/50/652726850.db2.gz FDMGMJPMRQGKDL-GHMZBOCLSA-N 1 2 378.226 2.363 20 0 GEADLO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635429449 652726857 /nfs/dbraw/zinc/72/68/57/652726857.db2.gz FDMGMJPMRQGKDL-GHMZBOCLSA-N 1 2 378.226 2.363 20 0 GEADLO CCOC(=O)C12CC(C1)C[N@@H+]2C[C@@H](O)COc1ccc(Br)cc1 ZINC000595861669 652739703 /nfs/dbraw/zinc/73/97/03/652739703.db2.gz ZHCOGCLXUPERLK-KDJCLPLCSA-N 1 2 384.270 2.216 20 0 GEADLO CCOC(=O)C12CC(C1)C[N@H+]2C[C@@H](O)COc1ccc(Br)cc1 ZINC000595861669 652739710 /nfs/dbraw/zinc/73/97/10/652739710.db2.gz ZHCOGCLXUPERLK-KDJCLPLCSA-N 1 2 384.270 2.216 20 0 GEADLO Cc1cc(CCC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)ccc1Br ZINC000670410225 652746510 /nfs/dbraw/zinc/74/65/10/652746510.db2.gz WUZPEKSMDIWYFU-INIZCTEOSA-N 1 2 380.330 2.196 20 0 GEADLO Cc1cc(CCC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)ccc1Br ZINC000670410225 652746513 /nfs/dbraw/zinc/74/65/13/652746513.db2.gz WUZPEKSMDIWYFU-INIZCTEOSA-N 1 2 380.330 2.196 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cn(C)cc(Br)c2=O)c1C ZINC000763253461 652748189 /nfs/dbraw/zinc/74/81/89/652748189.db2.gz JAGNDOYJGOHBIE-UHFFFAOYSA-N 1 2 395.257 2.490 20 0 GEADLO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000763559882 652761358 /nfs/dbraw/zinc/76/13/58/652761358.db2.gz HMJBGZHGLTVWTO-IZHWHUGBSA-N 1 2 393.336 2.204 20 0 GEADLO CN(CCn1cc(Br)cn1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635937431 652767471 /nfs/dbraw/zinc/76/74/71/652767471.db2.gz GTFYHRSNHJLVSM-NSHDSACASA-N 1 2 394.195 2.494 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636007017 652773137 /nfs/dbraw/zinc/77/31/37/652773137.db2.gz JSMJTZVWFJLMAY-YNEHKIRRSA-N 1 2 396.260 2.382 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccc(F)c(Br)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636007017 652773142 /nfs/dbraw/zinc/77/31/42/652773142.db2.gz JSMJTZVWFJLMAY-YNEHKIRRSA-N 1 2 396.260 2.382 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccccc1Br ZINC000598190147 652804514 /nfs/dbraw/zinc/80/45/14/652804514.db2.gz DZXJANRNLLMMOG-QMTHXVAHSA-N 1 2 380.242 2.381 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccccc1Br ZINC000598190147 652804518 /nfs/dbraw/zinc/80/45/18/652804518.db2.gz DZXJANRNLLMMOG-QMTHXVAHSA-N 1 2 380.242 2.381 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccccc1Br ZINC000598190145 652804606 /nfs/dbraw/zinc/80/46/06/652804606.db2.gz DZXJANRNLLMMOG-IINYFYTJSA-N 1 2 380.242 2.381 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccccc1Br ZINC000598190145 652804609 /nfs/dbraw/zinc/80/46/09/652804609.db2.gz DZXJANRNLLMMOG-IINYFYTJSA-N 1 2 380.242 2.381 20 0 GEADLO COc1cc(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc(Br)c1OC ZINC000636684256 652816071 /nfs/dbraw/zinc/81/60/71/652816071.db2.gz DSFWWCQSBBBZMV-LLVKDONJSA-N 1 2 395.257 2.087 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC000598545423 652820829 /nfs/dbraw/zinc/82/08/29/652820829.db2.gz RXJQLHSVVJGURD-UHFFFAOYSA-N 1 2 384.255 2.495 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC000598545423 652820831 /nfs/dbraw/zinc/82/08/31/652820831.db2.gz RXJQLHSVVJGURD-UHFFFAOYSA-N 1 2 384.255 2.495 20 0 GEADLO CCC(=O)N[C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000672113237 652827315 /nfs/dbraw/zinc/82/73/15/652827315.db2.gz UISWAEXFZVOMAZ-GFCCVEGCSA-N 1 2 397.273 2.182 20 0 GEADLO O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637095920 652838181 /nfs/dbraw/zinc/83/81/81/652838181.db2.gz FIJRYYWXQKWSPS-KBPBESRZSA-N 1 2 390.285 2.148 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NC(=S)NC[C@H]2CCCO2)c2ccc(Cl)cc2)C1 ZINC000765516216 652842353 /nfs/dbraw/zinc/84/23/53/652842353.db2.gz GQTDAZXVPSTTIM-IXDOHACOSA-N 1 2 383.945 2.355 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NC(=S)NC[C@H]2CCCO2)c2ccc(Cl)cc2)C1 ZINC000765516216 652842356 /nfs/dbraw/zinc/84/23/56/652842356.db2.gz GQTDAZXVPSTTIM-IXDOHACOSA-N 1 2 383.945 2.355 20 0 GEADLO COC(=O)c1cnc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)cn1 ZINC000599351888 652863200 /nfs/dbraw/zinc/86/32/00/652863200.db2.gz KERRATMXHGPLBP-HNNXBMFYSA-N 1 2 380.242 2.191 20 0 GEADLO COC(=O)c1cnc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)cn1 ZINC000599351888 652863206 /nfs/dbraw/zinc/86/32/06/652863206.db2.gz KERRATMXHGPLBP-HNNXBMFYSA-N 1 2 380.242 2.191 20 0 GEADLO Cc1cc(OS(=O)(=O)CCC[NH+]2CCOCC2)ccc1Br ZINC000766064682 652864397 /nfs/dbraw/zinc/86/43/97/652864397.db2.gz PNIBOUNIINNSJO-UHFFFAOYSA-N 1 2 378.288 2.188 20 0 GEADLO O=C1c2ccc(Br)cc2C(=O)N1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000766092058 652866494 /nfs/dbraw/zinc/86/64/94/652866494.db2.gz MHFBULVIUKSUKO-LLVKDONJSA-N 1 2 395.253 2.088 20 0 GEADLO O=C1c2ccc(Br)cc2C(=O)N1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000766092058 652866496 /nfs/dbraw/zinc/86/64/96/652866496.db2.gz MHFBULVIUKSUKO-LLVKDONJSA-N 1 2 395.253 2.088 20 0 GEADLO O=C1C(=O)N(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)C(=O)N1Cc1cccs1 ZINC000766118923 652868154 /nfs/dbraw/zinc/86/81/54/652868154.db2.gz OWYSTSOQCYHEHX-JTQLQIEISA-N 1 2 375.372 2.271 20 0 GEADLO O=C1C(=O)N(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C(=O)N1Cc1cccs1 ZINC000766118923 652868157 /nfs/dbraw/zinc/86/81/57/652868157.db2.gz OWYSTSOQCYHEHX-JTQLQIEISA-N 1 2 375.372 2.271 20 0 GEADLO CCO[C@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000637813434 652874404 /nfs/dbraw/zinc/87/44/04/652874404.db2.gz PZPGMWCTAUVSOX-LBPRGKRZSA-N 1 2 377.304 2.097 20 0 GEADLO CCO[C@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000637813434 652874407 /nfs/dbraw/zinc/87/44/07/652874407.db2.gz PZPGMWCTAUVSOX-LBPRGKRZSA-N 1 2 377.304 2.097 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000637895926 652877332 /nfs/dbraw/zinc/87/73/32/652877332.db2.gz HTEUSPXOAPOILD-UHFFFAOYSA-N 1 2 376.906 2.348 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1)N1CC[NH2+]CC1=O ZINC000637976493 652880472 /nfs/dbraw/zinc/88/04/72/652880472.db2.gz ATWRERHVEJTODE-VIFPVBQESA-N 1 2 397.913 2.102 20 0 GEADLO NS(=O)(=O)c1ccc(CN2CCC[C@H](n3cc[nH+]c3)C2)cc1Br ZINC000638017661 652881346 /nfs/dbraw/zinc/88/13/46/652881346.db2.gz ILODQEACSOOXQY-ZDUSSCGKSA-N 1 2 399.314 2.130 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000674367965 652896964 /nfs/dbraw/zinc/89/69/64/652896964.db2.gz DZWMASARIRRHOW-GVDBMIGSSA-N 1 2 387.307 2.248 20 0 GEADLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cs1 ZINC000638718614 652904041 /nfs/dbraw/zinc/90/40/41/652904041.db2.gz AQFCPRRXDDPAQC-SECBINFHSA-N 1 2 375.903 2.441 20 0 GEADLO NS(=O)(=O)c1cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)ccc1Cl ZINC000639034736 652916539 /nfs/dbraw/zinc/91/65/39/652916539.db2.gz MDPQEJYZHQLGFP-CQSZACIVSA-N 1 2 388.917 2.005 20 0 GEADLO COc1cc(Cl)c(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1OC ZINC000639157734 652923712 /nfs/dbraw/zinc/92/37/12/652923712.db2.gz SAVSVYQQLVMZGL-ZDUSSCGKSA-N 1 2 376.906 2.213 20 0 GEADLO COc1cc(Cl)c(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1OC ZINC000639157734 652923713 /nfs/dbraw/zinc/92/37/13/652923713.db2.gz SAVSVYQQLVMZGL-ZDUSSCGKSA-N 1 2 376.906 2.213 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CCC(N3CCc4ccccc43)CC2)s1 ZINC000639154319 652923782 /nfs/dbraw/zinc/92/37/82/652923782.db2.gz KXVLBTGOXBWYLZ-UHFFFAOYSA-N 1 2 377.535 2.423 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)o1 ZINC000639257375 652929256 /nfs/dbraw/zinc/92/92/56/652929256.db2.gz SYCACSSBAVBGKE-LBPRGKRZSA-N 1 2 382.404 2.108 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)o1 ZINC000639257375 652929259 /nfs/dbraw/zinc/92/92/59/652929259.db2.gz SYCACSSBAVBGKE-LBPRGKRZSA-N 1 2 382.404 2.108 20 0 GEADLO CS(=O)(=O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000675509447 652931421 /nfs/dbraw/zinc/93/14/21/652931421.db2.gz RONIGULTPIVLCE-NSHDSACASA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639449081 652937037 /nfs/dbraw/zinc/93/70/37/652937037.db2.gz AKPGZSIZLGEXBI-MJBXVCDLSA-N 1 2 384.464 2.328 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639449081 652937043 /nfs/dbraw/zinc/93/70/43/652937043.db2.gz AKPGZSIZLGEXBI-MJBXVCDLSA-N 1 2 384.464 2.328 20 0 GEADLO COc1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cnc1Cl ZINC000767664476 652940140 /nfs/dbraw/zinc/94/01/40/652940140.db2.gz PJCZKWSVVPARTG-CYBMUJFWSA-N 1 2 385.873 2.452 20 0 GEADLO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000639548154 652941289 /nfs/dbraw/zinc/94/12/89/652941289.db2.gz YAEZRYKAQUCHAP-HZPDHXFCSA-N 1 2 375.296 2.140 20 0 GEADLO COc1cc(Br)c(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1OC ZINC000639582083 652942779 /nfs/dbraw/zinc/94/27/79/652942779.db2.gz QMBHIIVUGXSFOR-SECBINFHSA-N 1 2 381.230 2.409 20 0 GEADLO Cc1nn(C)c(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1Br ZINC000640162875 653098059 /nfs/dbraw/zinc/09/80/59/653098059.db2.gz BBGYUSFSWWLWQD-UHFFFAOYSA-N 1 2 381.278 2.388 20 0 GEADLO CC(C)N(CCS(C)(=O)=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000768086431 653100588 /nfs/dbraw/zinc/10/05/88/653100588.db2.gz HCDOVLFMMCFINF-MRXNPFEDSA-N 1 2 389.949 2.407 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc3cc(Br)ccc3[nH]2)CCO1 ZINC000768326415 653110173 /nfs/dbraw/zinc/11/01/73/653110173.db2.gz YCTCJBOIVIRYMK-GFCCVEGCSA-N 1 2 395.301 2.450 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc3cc(Br)ccc3[nH]2)CCO1 ZINC000768326415 653110179 /nfs/dbraw/zinc/11/01/79/653110179.db2.gz YCTCJBOIVIRYMK-GFCCVEGCSA-N 1 2 395.301 2.450 20 0 GEADLO CCCOc1ccc(Br)cc1CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000601578268 653111899 /nfs/dbraw/zinc/11/18/99/653111899.db2.gz HXXLTOOAOBSMLQ-UHFFFAOYSA-N 1 2 398.345 2.444 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OCCOc2cc(F)cc(Br)c2)C1 ZINC000805475637 653119242 /nfs/dbraw/zinc/11/92/42/653119242.db2.gz ADUXLZYMGHJZIJ-AWEZNQCLSA-N 1 2 376.222 2.231 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OCCOc2cc(F)cc(Br)c2)C1 ZINC000805475637 653119246 /nfs/dbraw/zinc/11/92/46/653119246.db2.gz ADUXLZYMGHJZIJ-AWEZNQCLSA-N 1 2 376.222 2.231 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1nsc2ccccc21 ZINC000640342065 653121432 /nfs/dbraw/zinc/12/14/32/653121432.db2.gz MDQGUIYGMUNMMN-KRWDZBQOSA-N 1 2 378.523 2.626 20 0 GEADLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678140647 653128349 /nfs/dbraw/zinc/12/83/49/653128349.db2.gz FYJDWXSZLUERQN-INIZCTEOSA-N 1 2 382.917 2.098 20 0 GEADLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678140647 653128354 /nfs/dbraw/zinc/12/83/54/653128354.db2.gz FYJDWXSZLUERQN-INIZCTEOSA-N 1 2 382.917 2.098 20 0 GEADLO C[C@@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)N1CCSc2ccccc21 ZINC000772046516 653137930 /nfs/dbraw/zinc/13/79/30/653137930.db2.gz JZCBXLCQQBRTFS-KGLIPLIRSA-N 1 2 380.535 2.494 20 0 GEADLO C[C@@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)N1CCSc2ccccc21 ZINC000772046516 653137936 /nfs/dbraw/zinc/13/79/36/653137936.db2.gz JZCBXLCQQBRTFS-KGLIPLIRSA-N 1 2 380.535 2.494 20 0 GEADLO Cc1nc([C@H](C)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)cs1 ZINC000679148550 653139113 /nfs/dbraw/zinc/13/91/13/653139113.db2.gz KYODEUQQZLLVME-LBPRGKRZSA-N 1 2 381.527 2.101 20 0 GEADLO COC(=O)Cc1csc(N(C)C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)n1 ZINC000602095524 653147487 /nfs/dbraw/zinc/14/74/87/653147487.db2.gz ABMFXAIZHQKGMV-JTQLQIEISA-N 1 2 376.360 2.212 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cc3ccccc3I)CC2)cn1 ZINC000769307391 653148052 /nfs/dbraw/zinc/14/80/52/653148052.db2.gz HSWSJEDSOJIMRX-UHFFFAOYSA-N 1 2 396.276 2.343 20 0 GEADLO C[C@@H](c1ccc(Cl)cc1Cl)n1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000640990997 653149757 /nfs/dbraw/zinc/14/97/57/653149757.db2.gz IIMHRJKJFAIHET-JQWIXIFHSA-N 1 2 389.308 2.471 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1ccc(N(C)C)c[nH+]1 ZINC000769401984 653152541 /nfs/dbraw/zinc/15/25/41/653152541.db2.gz BICYUIWTUIYIKP-ZDUSSCGKSA-N 1 2 383.905 2.278 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000806667153 653172569 /nfs/dbraw/zinc/17/25/69/653172569.db2.gz UNGFXRBXSAVBCZ-LRDDRELGSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000806667153 653172571 /nfs/dbraw/zinc/17/25/71/653172571.db2.gz UNGFXRBXSAVBCZ-LRDDRELGSA-N 1 2 390.311 2.437 20 0 GEADLO CC(C)OC[C@@H]1C[N@H+](Cn2nc(Br)c(=O)c3ccccc32)CCO1 ZINC000769817113 653179615 /nfs/dbraw/zinc/17/96/15/653179615.db2.gz VVGWMGGHAZVPAJ-ZDUSSCGKSA-N 1 2 396.285 2.242 20 0 GEADLO CC(C)OC[C@@H]1C[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)CCO1 ZINC000769817113 653179619 /nfs/dbraw/zinc/17/96/19/653179619.db2.gz VVGWMGGHAZVPAJ-ZDUSSCGKSA-N 1 2 396.285 2.242 20 0 GEADLO C[C@H](COc1ccccc1C(F)(F)F)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641293534 653180638 /nfs/dbraw/zinc/18/06/38/653180638.db2.gz SBNLKIKMEKKDBD-GFCCVEGCSA-N 1 2 377.388 2.289 20 0 GEADLO COCCC[N@H+](CCOC)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773297523 653190757 /nfs/dbraw/zinc/19/07/57/653190757.db2.gz RGXQJDNBVMODHN-UHFFFAOYSA-N 1 2 391.237 2.439 20 0 GEADLO COCCC[N@@H+](CCOC)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773297523 653190763 /nfs/dbraw/zinc/19/07/63/653190763.db2.gz RGXQJDNBVMODHN-UHFFFAOYSA-N 1 2 391.237 2.439 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCCc1cc(Cl)ccc1Br ZINC000641388547 653197153 /nfs/dbraw/zinc/19/71/53/653197153.db2.gz UFMGPQVOWWAKHJ-UHFFFAOYSA-N 1 2 392.706 2.461 20 0 GEADLO CN(Cc1ccc(F)cc1Br)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641454621 653207952 /nfs/dbraw/zinc/20/79/52/653207952.db2.gz HSXOBXASHRPTCJ-UHFFFAOYSA-N 1 2 376.251 2.247 20 0 GEADLO CS(=O)(=O)c1ccc(C(=O)OCC[NH+]2CCCCC2)cc1Br ZINC000770407186 653211596 /nfs/dbraw/zinc/21/15/96/653211596.db2.gz FTYQLVHKPHFASZ-UHFFFAOYSA-N 1 2 390.299 2.495 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCc1cc(Cl)cc(Br)c1 ZINC000641535242 653218865 /nfs/dbraw/zinc/21/88/65/653218865.db2.gz LAKMHRNRPXCOQW-UHFFFAOYSA-N 1 2 378.679 2.419 20 0 GEADLO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000774169732 653227638 /nfs/dbraw/zinc/22/76/38/653227638.db2.gz VKJDHOADGHNYBU-UHFFFAOYSA-N 1 2 380.857 2.462 20 0 GEADLO O=C(COC(=O)c1cnccc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000771047871 653229794 /nfs/dbraw/zinc/22/97/94/653229794.db2.gz SFKQNTWORANTHA-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000774301376 653233445 /nfs/dbraw/zinc/23/34/45/653233445.db2.gz GPTGYLBVUXUZSD-LBPRGKRZSA-N 1 2 392.257 2.151 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)/C=C\c2ccccc2Cl)[C@@H](C)C1 ZINC000774786820 653256787 /nfs/dbraw/zinc/25/67/87/653256787.db2.gz BNBJLWWPFSQNTD-UNJUUPHPSA-N 1 2 386.901 2.210 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)/C=C\c2ccccc2Cl)[C@@H](C)C1 ZINC000774786820 653256793 /nfs/dbraw/zinc/25/67/93/653256793.db2.gz BNBJLWWPFSQNTD-UNJUUPHPSA-N 1 2 386.901 2.210 20 0 GEADLO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684552273 653275578 /nfs/dbraw/zinc/27/55/78/653275578.db2.gz JFIIAWXEFZAVDM-VIFPVBQESA-N 1 2 394.324 2.350 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cc3nc4ccccn4c3Br)CC2)cn1 ZINC000809566741 653281931 /nfs/dbraw/zinc/28/19/31/653281931.db2.gz LAGBLXABACWQSQ-UHFFFAOYSA-N 1 2 389.301 2.148 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)c2c(Br)nc3n2CCOC3)c1C ZINC000857091417 653283293 /nfs/dbraw/zinc/28/32/93/653283293.db2.gz DKVFKASUPHZJFY-UHFFFAOYSA-N 1 2 395.257 2.126 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000684659680 653285306 /nfs/dbraw/zinc/28/53/06/653285306.db2.gz OCYYOJAMBJCECA-UONOGXRCSA-N 1 2 379.309 2.213 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809656164 653287086 /nfs/dbraw/zinc/28/70/86/653287086.db2.gz XRVRFNWDFCUTEW-TZMCWYRMSA-N 1 2 388.295 2.487 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809656164 653287092 /nfs/dbraw/zinc/28/70/92/653287092.db2.gz XRVRFNWDFCUTEW-TZMCWYRMSA-N 1 2 388.295 2.487 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000809757278 653293507 /nfs/dbraw/zinc/29/35/07/653293507.db2.gz MCNHGKHGIKCZEY-PBHICJAKSA-N 1 2 389.949 2.332 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CCC[C@@]1(C)CCCO ZINC000809757278 653293514 /nfs/dbraw/zinc/29/35/14/653293514.db2.gz MCNHGKHGIKCZEY-PBHICJAKSA-N 1 2 389.949 2.332 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CCC[C@]1(C)CCCO ZINC000809757285 653293751 /nfs/dbraw/zinc/29/37/51/653293751.db2.gz MCNHGKHGIKCZEY-WMLDXEAASA-N 1 2 389.949 2.332 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CCC[C@]1(C)CCCO ZINC000809757285 653293775 /nfs/dbraw/zinc/29/37/75/653293775.db2.gz MCNHGKHGIKCZEY-WMLDXEAASA-N 1 2 389.949 2.332 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)c(F)c1C ZINC000857183237 653295520 /nfs/dbraw/zinc/29/55/20/653295520.db2.gz DIJOHEYLZZZABO-LBPRGKRZSA-N 1 2 384.205 2.065 20 0 GEADLO O=C(Cn1c(Br)cccc1=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000809977229 653315830 /nfs/dbraw/zinc/31/58/30/653315830.db2.gz CNYPNXMVZDWJNP-UHFFFAOYSA-N 1 2 396.310 2.017 20 0 GEADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000857384199 653318752 /nfs/dbraw/zinc/31/87/52/653318752.db2.gz VYQCZFRJMFNHTA-WCQYABFASA-N 1 2 375.300 2.183 20 0 GEADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000857384199 653318756 /nfs/dbraw/zinc/31/87/56/653318756.db2.gz VYQCZFRJMFNHTA-WCQYABFASA-N 1 2 375.300 2.183 20 0 GEADLO COC(=O)[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cccc(Br)c1 ZINC000874449903 653319947 /nfs/dbraw/zinc/31/99/47/653319947.db2.gz HHEUBCINOGZBOU-PBFPGSCMSA-N 1 2 392.253 2.480 20 0 GEADLO COC(=O)[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cccc(Br)c1 ZINC000874449903 653319952 /nfs/dbraw/zinc/31/99/52/653319952.db2.gz HHEUBCINOGZBOU-PBFPGSCMSA-N 1 2 392.253 2.480 20 0 GEADLO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000714252374 653324364 /nfs/dbraw/zinc/32/43/64/653324364.db2.gz JXOPVKDKZNDOPA-KYZUINATSA-N 1 2 398.120 2.272 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)CC1(Br)Br ZINC000874709402 653333506 /nfs/dbraw/zinc/33/35/06/653333506.db2.gz CGVBSLXSNAICLD-ZYHUDNBSSA-N 1 2 398.139 2.110 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)CC1(Br)Br ZINC000874709402 653333514 /nfs/dbraw/zinc/33/35/14/653333514.db2.gz CGVBSLXSNAICLD-ZYHUDNBSSA-N 1 2 398.139 2.110 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc2c(cc1Br)OCO2 ZINC000874710544 653333786 /nfs/dbraw/zinc/33/37/86/653333786.db2.gz QIJCYLPLVFFDHM-NSHDSACASA-N 1 2 385.258 2.018 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc2c(cc1Br)OCO2 ZINC000874710544 653333789 /nfs/dbraw/zinc/33/37/89/653333789.db2.gz QIJCYLPLVFFDHM-NSHDSACASA-N 1 2 385.258 2.018 20 0 GEADLO C[C@@]1(CCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1(Cl)Cl ZINC000836249297 653340831 /nfs/dbraw/zinc/34/08/31/653340831.db2.gz IROMKEUKBWLIIX-HUUCEWRRSA-N 1 2 396.384 2.468 20 0 GEADLO O=C(c1cc[nH]c(=O)c1Br)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874891772 653341268 /nfs/dbraw/zinc/34/12/68/653341268.db2.gz UJSFXVQLFZMWBF-CYBMUJFWSA-N 1 2 380.217 2.476 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1nc(Br)ccc1Br ZINC000857888288 653342351 /nfs/dbraw/zinc/34/23/51/653342351.db2.gz XXEDSBAKSBPHHC-ZETCQYMHSA-N 1 2 386.047 2.158 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857978833 653346117 /nfs/dbraw/zinc/34/61/17/653346117.db2.gz QPZHHZXYQXHFKL-CYBMUJFWSA-N 1 2 378.226 2.488 20 0 GEADLO CC(=O)N[C@@H](CC(=O)N[C@H]1CCn2c[nH+]cc21)c1ccc(Br)cc1 ZINC000857992004 653346641 /nfs/dbraw/zinc/34/66/41/653346641.db2.gz RCXINUFXPMPOAK-GJZGRUSLSA-N 1 2 391.269 2.474 20 0 GEADLO CC(=O)N[C@H](CC(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccc(Br)cc1 ZINC000857992005 653346909 /nfs/dbraw/zinc/34/69/09/653346909.db2.gz RCXINUFXPMPOAK-HUUCEWRRSA-N 1 2 391.269 2.474 20 0 GEADLO Cc1c(Br)nccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000836682491 653369249 /nfs/dbraw/zinc/36/92/49/653369249.db2.gz SCMPEICDQGXAHN-ZDUSSCGKSA-N 1 2 383.290 2.481 20 0 GEADLO Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000858612495 653369923 /nfs/dbraw/zinc/36/99/23/653369923.db2.gz CBUZJBXYLLUZAB-JTQLQIEISA-N 1 2 387.221 2.124 20 0 GEADLO Cc1cc(Br)nc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000836769963 653376794 /nfs/dbraw/zinc/37/67/94/653376794.db2.gz SUMGJXIXTLPFGT-CHWSQXEVSA-N 1 2 383.290 2.479 20 0 GEADLO C[C@@H]1CN(C(=O)C(F)(F)c2ccccc2Br)C[C@H](C)[N@H+]1CCO ZINC000836864513 653384235 /nfs/dbraw/zinc/38/42/35/653384235.db2.gz GWXGFEHOZSQRCP-TXEJJXNPSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@@H]1CN(C(=O)C(F)(F)c2ccccc2Br)C[C@H](C)[N@@H+]1CCO ZINC000836864513 653384240 /nfs/dbraw/zinc/38/42/40/653384240.db2.gz GWXGFEHOZSQRCP-TXEJJXNPSA-N 1 2 391.256 2.454 20 0 GEADLO O=S(=O)(c1ccc(Br)nc1F)N1CCC(n2cc[nH+]c2)CC1 ZINC000858928328 653386013 /nfs/dbraw/zinc/38/60/13/653386013.db2.gz PJYBJVKKUABJLZ-UHFFFAOYSA-N 1 2 389.250 2.206 20 0 GEADLO O=S(=O)(c1ccc(Br)nc1F)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000858942881 653386868 /nfs/dbraw/zinc/38/68/68/653386868.db2.gz BXMKUHUWMMELLF-SNVBAGLBSA-N 1 2 389.250 2.206 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(Br)nc2F)C[C@@H]1C ZINC000859088927 653403750 /nfs/dbraw/zinc/40/37/50/653403750.db2.gz YVYSXJNQKSZHNH-UWVGGRQHSA-N 1 2 380.283 2.086 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(Br)nc2F)C[C@@H]1C ZINC000859088927 653403753 /nfs/dbraw/zinc/40/37/53/653403753.db2.gz YVYSXJNQKSZHNH-UWVGGRQHSA-N 1 2 380.283 2.086 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1Cl ZINC000859092802 653404249 /nfs/dbraw/zinc/40/42/49/653404249.db2.gz UHAYCIRLHJZDGZ-MNOVXSKESA-N 1 2 375.878 2.231 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1Cl ZINC000859092802 653404256 /nfs/dbraw/zinc/40/42/56/653404256.db2.gz UHAYCIRLHJZDGZ-MNOVXSKESA-N 1 2 375.878 2.231 20 0 GEADLO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(Br)nc1F ZINC000859121221 653409415 /nfs/dbraw/zinc/40/94/15/653409415.db2.gz WFIIJXLONVOPMN-SNVBAGLBSA-N 1 2 380.283 2.136 20 0 GEADLO COC[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1cccc(Br)c1 ZINC000876235743 653412882 /nfs/dbraw/zinc/41/28/82/653412882.db2.gz QPZBPVPUHBLJKJ-DZGCQCFKSA-N 1 2 379.258 2.257 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)[C@@H](C)C1 ZINC000859156783 653414263 /nfs/dbraw/zinc/41/42/63/653414263.db2.gz WRJXEDYBWJYDTL-NSHDSACASA-N 1 2 375.878 2.233 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)[C@@H](C)C1 ZINC000859156783 653414266 /nfs/dbraw/zinc/41/42/66/653414266.db2.gz WRJXEDYBWJYDTL-NSHDSACASA-N 1 2 375.878 2.233 20 0 GEADLO CCCN1C(=O)C(=O)N(C[N@H+](C)CCc2cccc(Br)c2)C1=O ZINC000812301746 653420821 /nfs/dbraw/zinc/42/08/21/653420821.db2.gz LPDJRPKYMFZCMA-UHFFFAOYSA-N 1 2 382.258 2.082 20 0 GEADLO CCCN1C(=O)C(=O)N(C[N@@H+](C)CCc2cccc(Br)c2)C1=O ZINC000812301746 653420827 /nfs/dbraw/zinc/42/08/27/653420827.db2.gz LPDJRPKYMFZCMA-UHFFFAOYSA-N 1 2 382.258 2.082 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000837379724 653432147 /nfs/dbraw/zinc/43/21/47/653432147.db2.gz XWXBZPVMMAHBJN-UHFFFAOYSA-N 1 2 382.203 2.109 20 0 GEADLO COc1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000859293601 653436232 /nfs/dbraw/zinc/43/62/32/653436232.db2.gz AWGUZXCHBFSKPY-UHFFFAOYSA-N 1 2 383.388 2.145 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cccnc1Br ZINC000876590988 653437136 /nfs/dbraw/zinc/43/71/36/653437136.db2.gz CNBDYHZCHLHHNU-CYBMUJFWSA-N 1 2 376.320 2.138 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cccnc1Br ZINC000876590988 653437137 /nfs/dbraw/zinc/43/71/37/653437137.db2.gz CNBDYHZCHLHHNU-CYBMUJFWSA-N 1 2 376.320 2.138 20 0 GEADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000876611690 653438231 /nfs/dbraw/zinc/43/82/31/653438231.db2.gz OKKOUDUTHGPKNY-UHFFFAOYSA-N 1 2 388.287 2.333 20 0 GEADLO Cc1noc(C)c1C[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000876611690 653438233 /nfs/dbraw/zinc/43/82/33/653438233.db2.gz OKKOUDUTHGPKNY-UHFFFAOYSA-N 1 2 388.287 2.333 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N(C)CCc2cccc(Br)c2)CCO1 ZINC000813052379 653455789 /nfs/dbraw/zinc/45/57/89/653455789.db2.gz AENPDKIJIWSODI-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)CCc2cccc(Br)c2)CCO1 ZINC000813052379 653455792 /nfs/dbraw/zinc/45/57/92/653455792.db2.gz AENPDKIJIWSODI-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000837716688 653464443 /nfs/dbraw/zinc/46/44/43/653464443.db2.gz DNBXBRHECSWLQQ-HNNXBMFYSA-N 1 2 390.285 2.375 20 0 GEADLO O=C1[C@@H]([NH2+]Cc2nc(Cl)ccc2Br)CCN1C1CCOCC1 ZINC000877077716 653464984 /nfs/dbraw/zinc/46/49/84/653464984.db2.gz RYCDEFAXASZYBV-LBPRGKRZSA-N 1 2 388.693 2.367 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3nccc(C)c3Br)C2)nn1 ZINC000877365383 653478936 /nfs/dbraw/zinc/47/89/36/653478936.db2.gz QASJMJJUSNEJOB-LBPRGKRZSA-N 1 2 394.273 2.368 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3nccc(C)c3Br)C2)nn1 ZINC000877365383 653478941 /nfs/dbraw/zinc/47/89/41/653478941.db2.gz QASJMJJUSNEJOB-LBPRGKRZSA-N 1 2 394.273 2.368 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000779563052 653490448 /nfs/dbraw/zinc/49/04/48/653490448.db2.gz MHXKHNDUYHJQNL-ILXRZTDVSA-N 1 2 392.253 2.107 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)s1 ZINC000877402250 653499606 /nfs/dbraw/zinc/49/96/06/653499606.db2.gz AJURYITXSPEKQR-UHFFFAOYSA-N 1 2 384.498 2.104 20 0 GEADLO C[N@@H+](Cc1cn(C[C@@H]2CCOC2)nn1)C[C@H](O)c1ccccc1Br ZINC000877575774 653612876 /nfs/dbraw/zinc/61/28/76/653612876.db2.gz DFRIQIYASNMIRJ-GUYCJALGSA-N 1 2 395.301 2.243 20 0 GEADLO C[N@H+](Cc1cn(C[C@@H]2CCOC2)nn1)C[C@H](O)c1ccccc1Br ZINC000877575774 653612879 /nfs/dbraw/zinc/61/28/79/653612879.db2.gz DFRIQIYASNMIRJ-GUYCJALGSA-N 1 2 395.301 2.243 20 0 GEADLO CO[C@@H]1C[C@H]2C[N@H+](Cc3cn(C)nc3Br)Cc3cccnc3N2C1 ZINC000877690081 653616875 /nfs/dbraw/zinc/61/68/75/653616875.db2.gz DIJKHDABORVOKP-LSDHHAIUSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@@H]1C[C@H]2C[N@@H+](Cc3cn(C)nc3Br)Cc3cccnc3N2C1 ZINC000877690081 653616878 /nfs/dbraw/zinc/61/68/78/653616878.db2.gz DIJKHDABORVOKP-LSDHHAIUSA-N 1 2 392.301 2.187 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877737553 653618323 /nfs/dbraw/zinc/61/83/23/653618323.db2.gz HFZOUDQFVLJFGU-MGPQQGTHSA-N 1 2 389.974 2.389 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877737553 653618326 /nfs/dbraw/zinc/61/83/26/653618326.db2.gz HFZOUDQFVLJFGU-MGPQQGTHSA-N 1 2 389.974 2.389 20 0 GEADLO OC[C@H]1C[N@H+](Cc2ccc(Br)c(Br)c2)C[C@H]1CO ZINC000877765006 653618889 /nfs/dbraw/zinc/61/88/89/653618889.db2.gz VNLIESMFZIKELG-PHIMTYICSA-N 1 2 379.092 2.244 20 0 GEADLO OC[C@H]1C[N@@H+](Cc2ccc(Br)c(Br)c2)C[C@H]1CO ZINC000877765006 653618890 /nfs/dbraw/zinc/61/88/90/653618890.db2.gz VNLIESMFZIKELG-PHIMTYICSA-N 1 2 379.092 2.244 20 0 GEADLO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3N3CCOCC3)C[C@H]2C1 ZINC000877790654 653620417 /nfs/dbraw/zinc/62/04/17/653620417.db2.gz NZRLYYIFXHXDCQ-GJZGRUSLSA-N 1 2 384.929 2.043 20 0 GEADLO O=S1(=O)C[C@@H]2CC[N@H+](Cc3c(Cl)cccc3N3CCOCC3)C[C@H]2C1 ZINC000877790654 653620420 /nfs/dbraw/zinc/62/04/20/653620420.db2.gz NZRLYYIFXHXDCQ-GJZGRUSLSA-N 1 2 384.929 2.043 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccc(Br)cc1F ZINC000838444716 653622197 /nfs/dbraw/zinc/62/21/97/653622197.db2.gz ZYQFUTLWEWIKHQ-OKILXGFUSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccc(Br)cc1F ZINC000838444716 653622201 /nfs/dbraw/zinc/62/22/01/653622201.db2.gz ZYQFUTLWEWIKHQ-OKILXGFUSA-N 1 2 386.265 2.251 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000877896679 653622682 /nfs/dbraw/zinc/62/26/82/653622682.db2.gz IGOCDZUVFMLJMX-YVEFUNNKSA-N 1 2 386.323 2.312 20 0 GEADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@H](O)c1cc(Br)no1 ZINC000877914033 653623109 /nfs/dbraw/zinc/62/31/09/653623109.db2.gz YDHPFTCGMYIDLQ-LBPRGKRZSA-N 1 2 398.257 2.440 20 0 GEADLO CC[N@H+](CC(=O)Nc1ccccc1OC)C[C@H](O)c1cc(Br)no1 ZINC000877914033 653623115 /nfs/dbraw/zinc/62/31/15/653623115.db2.gz YDHPFTCGMYIDLQ-LBPRGKRZSA-N 1 2 398.257 2.440 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ncccc1Br ZINC000877975947 653624882 /nfs/dbraw/zinc/62/48/82/653624882.db2.gz MXMPHGXXSUFNKX-GFCCVEGCSA-N 1 2 376.320 2.138 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ncccc1Br ZINC000877975947 653624886 /nfs/dbraw/zinc/62/48/86/653624886.db2.gz MXMPHGXXSUFNKX-GFCCVEGCSA-N 1 2 376.320 2.138 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)C[C@@H]1C ZINC000860398557 653626141 /nfs/dbraw/zinc/62/61/41/653626141.db2.gz IJNJRBIMVBJTPR-NSHDSACASA-N 1 2 379.258 2.076 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)C[C@@H]1C ZINC000860398557 653626142 /nfs/dbraw/zinc/62/61/42/653626142.db2.gz IJNJRBIMVBJTPR-NSHDSACASA-N 1 2 379.258 2.076 20 0 GEADLO CC(C)(C)n1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(Br)n1 ZINC000780590513 653628616 /nfs/dbraw/zinc/62/86/16/653628616.db2.gz SJYMGDSVXQGTSI-CYBMUJFWSA-N 1 2 399.333 2.337 20 0 GEADLO COC(=O)c1ccc2c(c1)C[N@@H+](C[C@H](O)c1cc(Br)no1)CC2 ZINC000878338259 653634894 /nfs/dbraw/zinc/63/48/94/653634894.db2.gz ZMHROQAUKSTEGI-ZDUSSCGKSA-N 1 2 381.226 2.315 20 0 GEADLO COC(=O)c1ccc2c(c1)C[N@H+](C[C@H](O)c1cc(Br)no1)CC2 ZINC000878338259 653634897 /nfs/dbraw/zinc/63/48/97/653634897.db2.gz ZMHROQAUKSTEGI-ZDUSSCGKSA-N 1 2 381.226 2.315 20 0 GEADLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878610073 653642390 /nfs/dbraw/zinc/64/23/90/653642390.db2.gz BQBDXOIXHAKNEE-WDEREUQCSA-N 1 2 376.251 2.023 20 0 GEADLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878610073 653642392 /nfs/dbraw/zinc/64/23/92/653642392.db2.gz BQBDXOIXHAKNEE-WDEREUQCSA-N 1 2 376.251 2.023 20 0 GEADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878622966 653643018 /nfs/dbraw/zinc/64/30/18/653643018.db2.gz COBPHQPIQPKPOV-DCAQKATOSA-N 1 2 390.278 2.458 20 0 GEADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878622966 653643020 /nfs/dbraw/zinc/64/30/20/653643020.db2.gz COBPHQPIQPKPOV-DCAQKATOSA-N 1 2 390.278 2.458 20 0 GEADLO Cc1cnc(OC2CC[NH+](C[C@@H](O)c3cc(Br)no3)CC2)nc1 ZINC000878845109 653649459 /nfs/dbraw/zinc/64/94/59/653649459.db2.gz LMLUSORZXVMSOJ-GFCCVEGCSA-N 1 2 383.246 2.112 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(Br)cc(C=O)c2)CC[N@@H+]1CC(C)(C)O ZINC000861182110 653649505 /nfs/dbraw/zinc/64/95/05/653649505.db2.gz IBDRBJHXRWCSMJ-LBPRGKRZSA-N 1 2 383.286 2.179 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(Br)cc(C=O)c2)CC[N@H+]1CC(C)(C)O ZINC000861182110 653649508 /nfs/dbraw/zinc/64/95/08/653649508.db2.gz IBDRBJHXRWCSMJ-LBPRGKRZSA-N 1 2 383.286 2.179 20 0 GEADLO CSc1ccc([C@@H](CNS(=O)(=O)c2ncn(C)c2Cl)[NH+](C)C)cc1 ZINC000815105211 653652181 /nfs/dbraw/zinc/65/21/81/653652181.db2.gz HZEIAJOKBCWRHH-CYBMUJFWSA-N 1 2 388.946 2.377 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879044371 653656318 /nfs/dbraw/zinc/65/63/18/653656318.db2.gz MRNZALLPYJTOEB-HNNXBMFYSA-N 1 2 386.265 2.231 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000879221379 653663298 /nfs/dbraw/zinc/66/32/98/653663298.db2.gz BVWJQLOIKCAUPW-VWYCJHECSA-N 1 2 390.278 2.458 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000879221379 653663302 /nfs/dbraw/zinc/66/33/02/653663302.db2.gz BVWJQLOIKCAUPW-VWYCJHECSA-N 1 2 390.278 2.458 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1sc2cccc(F)c2c1Cl ZINC000879307445 653665346 /nfs/dbraw/zinc/66/53/46/653665346.db2.gz VZPYUWAOFZSYBE-LLVKDONJSA-N 1 2 386.876 2.459 20 0 GEADLO O=C(OCCCn1cc[nH+]c1)c1cn(-c2ccccc2Br)nn1 ZINC000782747578 653669541 /nfs/dbraw/zinc/66/95/41/653669541.db2.gz IQLQESWSAXSYRZ-UHFFFAOYSA-N 1 2 376.214 2.473 20 0 GEADLO O=C(C(=O)N1CCC([NH+]2CCOCC2)CC1)c1ccc(Br)s1 ZINC000862213752 653679445 /nfs/dbraw/zinc/67/94/45/653679445.db2.gz WCHZETFDQFWWHZ-UHFFFAOYSA-N 1 2 387.299 2.017 20 0 GEADLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000879764432 653681082 /nfs/dbraw/zinc/68/10/82/653681082.db2.gz XLJRMEMZQPGIBH-IAQYHMDHSA-N 1 2 380.794 2.223 20 0 GEADLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000879764432 653681083 /nfs/dbraw/zinc/68/10/83/653681083.db2.gz XLJRMEMZQPGIBH-IAQYHMDHSA-N 1 2 380.794 2.223 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862244911 653681414 /nfs/dbraw/zinc/68/14/14/653681414.db2.gz GWPOMJLRMOYNCZ-STQMWFEESA-N 1 2 384.489 2.386 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862244911 653681416 /nfs/dbraw/zinc/68/14/16/653681416.db2.gz GWPOMJLRMOYNCZ-STQMWFEESA-N 1 2 384.489 2.386 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862244910 653681578 /nfs/dbraw/zinc/68/15/78/653681578.db2.gz GWPOMJLRMOYNCZ-QWHCGFSZSA-N 1 2 384.489 2.386 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862244910 653681581 /nfs/dbraw/zinc/68/15/81/653681581.db2.gz GWPOMJLRMOYNCZ-QWHCGFSZSA-N 1 2 384.489 2.386 20 0 GEADLO CCN1C(=O)[C@H]2C[N@H+](Cc3cc(C)c(F)cc3Br)CCN2C1=O ZINC000862252477 653682020 /nfs/dbraw/zinc/68/20/20/653682020.db2.gz UVSOUKZSEBLBHB-CQSZACIVSA-N 1 2 384.249 2.365 20 0 GEADLO CCN1C(=O)[C@H]2C[N@@H+](Cc3cc(C)c(F)cc3Br)CCN2C1=O ZINC000862252477 653682023 /nfs/dbraw/zinc/68/20/23/653682023.db2.gz UVSOUKZSEBLBHB-CQSZACIVSA-N 1 2 384.249 2.365 20 0 GEADLO O=S1(=O)C[C@H]2C[N@H+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@@H]2C1 ZINC000879938876 653689151 /nfs/dbraw/zinc/68/91/51/653689151.db2.gz GBJRKVZAWDOCSW-HUUCEWRRSA-N 1 2 385.913 2.410 20 0 GEADLO O=S1(=O)C[C@H]2C[N@@H+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@@H]2C1 ZINC000879938876 653689152 /nfs/dbraw/zinc/68/91/52/653689152.db2.gz GBJRKVZAWDOCSW-HUUCEWRRSA-N 1 2 385.913 2.410 20 0 GEADLO COc1cc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cnc1Br ZINC000840569074 653689675 /nfs/dbraw/zinc/68/96/75/653689675.db2.gz ZIADFFLMXNTBCP-UHFFFAOYSA-N 1 2 386.290 2.036 20 0 GEADLO O=S(=O)(NC1CC1)c1ccc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)cc1 ZINC000880051451 653694551 /nfs/dbraw/zinc/69/45/51/653694551.db2.gz TYYDQXQEBRJALP-HNNXBMFYSA-N 1 2 378.416 2.281 20 0 GEADLO O=S(=O)(NC1CC1)c1ccc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)cc1 ZINC000880051451 653694554 /nfs/dbraw/zinc/69/45/54/653694554.db2.gz TYYDQXQEBRJALP-HNNXBMFYSA-N 1 2 378.416 2.281 20 0 GEADLO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000880129466 653698711 /nfs/dbraw/zinc/69/87/11/653698711.db2.gz JNUDTCYQFGUEOF-JKSUJKDBSA-N 1 2 387.343 2.391 20 0 GEADLO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000880129466 653698715 /nfs/dbraw/zinc/69/87/15/653698715.db2.gz JNUDTCYQFGUEOF-JKSUJKDBSA-N 1 2 387.343 2.391 20 0 GEADLO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCS(=O)(=O)c1cccc(Br)c1 ZINC000880135060 653698951 /nfs/dbraw/zinc/69/89/51/653698951.db2.gz ZFYDAIXFZCCVPY-JKSUJKDBSA-N 1 2 387.343 2.391 20 0 GEADLO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCS(=O)(=O)c1cccc(Br)c1 ZINC000880135060 653698953 /nfs/dbraw/zinc/69/89/53/653698953.db2.gz ZFYDAIXFZCCVPY-JKSUJKDBSA-N 1 2 387.343 2.391 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000784917878 653701378 /nfs/dbraw/zinc/70/13/78/653701378.db2.gz HXLDBAGNBOEBEK-IAQYHMDHSA-N 1 2 384.885 2.407 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)COc1ccc(F)cc1Br ZINC000784920034 653701444 /nfs/dbraw/zinc/70/14/44/653701444.db2.gz XRYGWPGFOAGNOD-NSHDSACASA-N 1 2 376.222 2.231 20 0 GEADLO C[C@H](SCc1cc(Cl)n(C)n1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000863404221 653709612 /nfs/dbraw/zinc/70/96/12/653709612.db2.gz ZPIDCWMACUMQHV-ZDUSSCGKSA-N 1 2 379.917 2.439 20 0 GEADLO COc1cc(Br)ccc1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000880630359 653710150 /nfs/dbraw/zinc/71/01/50/653710150.db2.gz AUCVKOKKUDJIQN-LBPRGKRZSA-N 1 2 385.306 2.215 20 0 GEADLO CC(C)C[C@H]([NH2+]Cc1cc(Br)nn1C)c1nc(-c2nc[nH]n2)no1 ZINC000785509525 653710958 /nfs/dbraw/zinc/71/09/58/653710958.db2.gz PDCBZWJAJARBBM-JTQLQIEISA-N 1 2 395.265 2.228 20 0 GEADLO CO[C@@H](C)C[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785528896 653711710 /nfs/dbraw/zinc/71/17/10/653711710.db2.gz KDEBLWYIJHHKPJ-LBPRGKRZSA-N 1 2 394.331 2.339 20 0 GEADLO CO[C@@H](C)C[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785528896 653711713 /nfs/dbraw/zinc/71/17/13/653711713.db2.gz KDEBLWYIJHHKPJ-LBPRGKRZSA-N 1 2 394.331 2.339 20 0 GEADLO O=C(NCC[NH+]1CCSCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841394219 653715098 /nfs/dbraw/zinc/71/50/98/653715098.db2.gz YCKVEXHHAWSJQU-UHFFFAOYSA-N 1 2 397.294 2.334 20 0 GEADLO COC(=O)c1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000785851645 653715876 /nfs/dbraw/zinc/71/58/76/653715876.db2.gz FGKCELRORUVQCB-LLVKDONJSA-N 1 2 392.253 2.311 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)CC1 ZINC000841498139 653721709 /nfs/dbraw/zinc/72/17/09/653721709.db2.gz LNOWIVVHMBEEQP-NSHDSACASA-N 1 2 389.930 2.027 20 0 GEADLO COc1ccc(Cn2cc(C[N@H+](C)CCO)nn2)cc1SC(F)(F)F ZINC000881313219 653726790 /nfs/dbraw/zinc/72/67/90/653726790.db2.gz DPNLSPOJEMVJPW-UHFFFAOYSA-N 1 2 376.404 2.371 20 0 GEADLO COc1ccc(Cn2cc(C[N@@H+](C)CCO)nn2)cc1SC(F)(F)F ZINC000881313219 653726794 /nfs/dbraw/zinc/72/67/94/653726794.db2.gz DPNLSPOJEMVJPW-UHFFFAOYSA-N 1 2 376.404 2.371 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(Br)nn1C ZINC000787133130 653734762 /nfs/dbraw/zinc/73/47/62/653734762.db2.gz YDWGUJIEABOGMR-SNVBAGLBSA-N 1 2 387.303 2.023 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(Br)nn1C ZINC000787133130 653734764 /nfs/dbraw/zinc/73/47/64/653734764.db2.gz YDWGUJIEABOGMR-SNVBAGLBSA-N 1 2 387.303 2.023 20 0 GEADLO CC(=O)N[C@@H](C(=O)NCCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000864413549 653735354 /nfs/dbraw/zinc/73/53/54/653735354.db2.gz PKWGENZMZRBMCX-OAHLLOKOSA-N 1 2 379.258 2.029 20 0 GEADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000841572686 653736710 /nfs/dbraw/zinc/73/67/10/653736710.db2.gz GDGIOAYWTNTTRL-RYUDHWBXSA-N 1 2 398.472 2.374 20 0 GEADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000841572686 653736712 /nfs/dbraw/zinc/73/67/12/653736712.db2.gz GDGIOAYWTNTTRL-RYUDHWBXSA-N 1 2 398.472 2.374 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)c3cnsn3)cc2Br)CC1 ZINC000787535843 653739624 /nfs/dbraw/zinc/73/96/24/653739624.db2.gz JWNIJWNIXXMOAY-UHFFFAOYSA-N 1 2 382.287 2.305 20 0 GEADLO CC(=O)NC(C)(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787536946 653739785 /nfs/dbraw/zinc/73/97/85/653739785.db2.gz SLRILRZUWHQHLP-UHFFFAOYSA-N 1 2 397.317 2.054 20 0 GEADLO O=C(COC(=O)C1SCCCS1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000842123812 653745607 /nfs/dbraw/zinc/74/56/07/653745607.db2.gz YDLSUQKUNQTDTL-UHFFFAOYSA-N 1 2 386.564 2.132 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)/C=C/c2ccsc2C(F)(F)F)CC1 ZINC000864874009 653747561 /nfs/dbraw/zinc/74/75/61/653747561.db2.gz PXKUVUQXLAHXCN-NSCUHMNNSA-N 1 2 375.416 2.060 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)C1 ZINC000882132425 653764746 /nfs/dbraw/zinc/76/47/46/653764746.db2.gz CQRBYEONMDWJAA-LFPIHBKWSA-N 1 2 388.559 2.275 20 0 GEADLO C[C@@H]1CN(c2cnn(CC(F)(F)F)c(=O)c2Br)[C@@H](C)C[N@@H+]1C ZINC000882151950 653766295 /nfs/dbraw/zinc/76/62/95/653766295.db2.gz IIZRGDLXGDNJAA-BDAKNGLRSA-N 1 2 383.212 2.097 20 0 GEADLO C[C@@H]1CN(c2cnn(CC(F)(F)F)c(=O)c2Br)[C@@H](C)C[N@H+]1C ZINC000882151950 653766298 /nfs/dbraw/zinc/76/62/98/653766298.db2.gz IIZRGDLXGDNJAA-BDAKNGLRSA-N 1 2 383.212 2.097 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882151958 653766324 /nfs/dbraw/zinc/76/63/24/653766324.db2.gz IIZRGDLXGDNJAA-IUCAKERBSA-N 1 2 383.212 2.097 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882151958 653766328 /nfs/dbraw/zinc/76/63/28/653766328.db2.gz IIZRGDLXGDNJAA-IUCAKERBSA-N 1 2 383.212 2.097 20 0 GEADLO OC[C@@H]([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1cccc(Br)c1 ZINC000865496867 653766812 /nfs/dbraw/zinc/76/68/12/653766812.db2.gz WPAWGKFKURAQBT-HZPDHXFCSA-N 1 2 381.274 2.043 20 0 GEADLO CCCn1cc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000865546221 653768198 /nfs/dbraw/zinc/76/81/98/653768198.db2.gz WFVQWJDOVDNZDJ-HNNXBMFYSA-N 1 2 378.274 2.346 20 0 GEADLO COCC[C@H](C[NH2+]Cc1nn(C)cc1Br)NC(=O)OC(C)(C)C ZINC000865587761 653769216 /nfs/dbraw/zinc/76/92/16/653769216.db2.gz SWFBWLCDEZKZAD-LLVKDONJSA-N 1 2 391.310 2.202 20 0 GEADLO Cc1ccnc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c1Br ZINC000865625047 653770398 /nfs/dbraw/zinc/77/03/98/653770398.db2.gz VJSLUUVIJOYRNJ-UHFFFAOYSA-N 1 2 375.210 2.219 20 0 GEADLO C[C@@H]1CN=C(N2CCN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)CC2)S1 ZINC000820283750 653771088 /nfs/dbraw/zinc/77/10/88/653771088.db2.gz NGBPJCCJALZLFU-VXGBXAGGSA-N 1 2 375.420 2.012 20 0 GEADLO NS(=O)(=O)c1cc(Br)ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000865735380 653773407 /nfs/dbraw/zinc/77/34/07/653773407.db2.gz LHHRJGZVPIDRMU-CYBMUJFWSA-N 1 2 398.282 2.149 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)Cc1cccc(Br)c1 ZINC000842965691 653775345 /nfs/dbraw/zinc/77/53/45/653775345.db2.gz JKMDVLWMFVNLSY-CZUORRHYSA-N 1 2 386.286 2.271 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)Cc1cccc(Br)c1 ZINC000842965691 653775348 /nfs/dbraw/zinc/77/53/48/653775348.db2.gz JKMDVLWMFVNLSY-CZUORRHYSA-N 1 2 386.286 2.271 20 0 GEADLO CC(C)[C@H]([NH3+])c1noc(CNS(=O)(=O)c2ccc(Br)s2)n1 ZINC000843152251 653780531 /nfs/dbraw/zinc/78/05/31/653780531.db2.gz DTWLXNMGAKBFMY-JTQLQIEISA-N 1 2 395.304 2.028 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cc(Cl)ncc3Cl)cc2C1 ZINC000790158377 653787489 /nfs/dbraw/zinc/78/74/89/653787489.db2.gz NTQZBBOLVRUKPF-UHFFFAOYSA-N 1 2 379.247 2.484 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cc(Cl)ncc3Cl)cc2C1 ZINC000790158377 653787490 /nfs/dbraw/zinc/78/74/90/653787490.db2.gz NTQZBBOLVRUKPF-UHFFFAOYSA-N 1 2 379.247 2.484 20 0 GEADLO C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)Oc1ccc(Br)cc1 ZINC000866182862 653788262 /nfs/dbraw/zinc/78/82/62/653788262.db2.gz GSFOKBLCSOOSBR-SFAKSCPVSA-N 1 2 383.286 2.221 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCc3cc(Br)ccc3C2)CCO1 ZINC000790270192 653788597 /nfs/dbraw/zinc/78/85/97/653788597.db2.gz OGNVPXSJANDPBM-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCc3cc(Br)ccc3C2)CCO1 ZINC000790270192 653788598 /nfs/dbraw/zinc/78/85/98/653788598.db2.gz OGNVPXSJANDPBM-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000821015238 653788810 /nfs/dbraw/zinc/78/88/10/653788810.db2.gz JZWRYGLSGDFCLP-CYBMUJFWSA-N 1 2 397.317 2.299 20 0 GEADLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866581168 653803818 /nfs/dbraw/zinc/80/38/18/653803818.db2.gz CDOISADIDKLHTH-AAEUAGOBSA-N 1 2 399.314 2.286 20 0 GEADLO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866581168 653803821 /nfs/dbraw/zinc/80/38/21/653803821.db2.gz CDOISADIDKLHTH-AAEUAGOBSA-N 1 2 399.314 2.286 20 0 GEADLO CCOC(=O)N(C)C1CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000844291095 653804423 /nfs/dbraw/zinc/80/44/23/653804423.db2.gz QKBWFSHSQLPUGN-UHFFFAOYSA-N 1 2 389.905 2.040 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882838096 653812937 /nfs/dbraw/zinc/81/29/37/653812937.db2.gz YHVGEHYGHLYFKB-AWEZNQCLSA-N 1 2 379.873 2.298 20 0 GEADLO Nc1cc(COC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)cc[nH+]1 ZINC000791717815 653822033 /nfs/dbraw/zinc/82/20/33/653822033.db2.gz PIDOBEBLWDMROK-UHFFFAOYSA-N 1 2 399.266 2.085 20 0 GEADLO NC(=O)[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1cccc(Br)c1 ZINC000791822733 653825956 /nfs/dbraw/zinc/82/59/56/653825956.db2.gz LTYPPAXHBRZXHQ-AWEZNQCLSA-N 1 2 388.225 2.445 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000844912854 653829066 /nfs/dbraw/zinc/82/90/66/653829066.db2.gz QBGONXUMJRTVMU-CVEARBPZSA-N 1 2 375.485 2.025 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cn(C)cc(Br)c2=O)C1 ZINC000822576472 653832099 /nfs/dbraw/zinc/83/20/99/653832099.db2.gz AQOPZRYAKWABKP-NSHDSACASA-N 1 2 394.273 2.293 20 0 GEADLO CCOC(=O)c1cc(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)on1 ZINC000895454038 653835334 /nfs/dbraw/zinc/83/53/34/653835334.db2.gz HPKHQYJUZMQTOV-UHFFFAOYSA-N 1 2 386.861 2.088 20 0 GEADLO Cc1ccc(Br)c(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC000822683069 653836429 /nfs/dbraw/zinc/83/64/29/653836429.db2.gz ZODUSLZNSGLHGK-WBVHZDCISA-N 1 2 397.313 2.254 20 0 GEADLO CCCn1cc(C[NH2+][C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000883386812 653838280 /nfs/dbraw/zinc/83/82/80/653838280.db2.gz NBUPMUYJBAVUGD-OAHLLOKOSA-N 1 2 378.274 2.494 20 0 GEADLO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000895507112 653838754 /nfs/dbraw/zinc/83/87/54/653838754.db2.gz BYCZWFPASAZVOZ-ZDUSSCGKSA-N 1 2 391.269 2.400 20 0 GEADLO Cc1ccnc(C2CC[NH+](Cc3ccc(S(=O)(=O)N(C)C)s3)CC2)n1 ZINC000822852305 653843064 /nfs/dbraw/zinc/84/30/64/653843064.db2.gz QTONKJWLLDVDEV-UHFFFAOYSA-N 1 2 380.539 2.476 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000866920839 653849909 /nfs/dbraw/zinc/84/99/09/653849909.db2.gz XTJFYAKIMFLVHY-DOTOQJQBSA-N 1 2 387.571 2.239 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000866920839 653849911 /nfs/dbraw/zinc/84/99/11/653849911.db2.gz XTJFYAKIMFLVHY-DOTOQJQBSA-N 1 2 387.571 2.239 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2coc3ccc(Cl)cc23)CC1 ZINC000845480076 653850943 /nfs/dbraw/zinc/85/09/43/653850943.db2.gz UBOYMDJZYUFXLQ-UHFFFAOYSA-N 1 2 384.885 2.325 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000895827525 653851711 /nfs/dbraw/zinc/85/17/11/653851711.db2.gz MFOPFUQTMZGMHH-HNNXBMFYSA-N 1 2 392.253 2.324 20 0 GEADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCc2c1cccc2Br ZINC000823097450 653853797 /nfs/dbraw/zinc/85/37/97/653853797.db2.gz UXHXJRBIJDCLTC-DYVFJYSZSA-N 1 2 395.297 2.218 20 0 GEADLO OC1CC[NH+](Cc2cn(CCOc3ccc(Br)cc3)nn2)CC1 ZINC000883991566 653859641 /nfs/dbraw/zinc/85/96/41/653859641.db2.gz IKVLSPIPXNYWKP-UHFFFAOYSA-N 1 2 381.274 2.076 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)Nc1cnn(-c2ccccc2Br)c1 ZINC000866982008 653859684 /nfs/dbraw/zinc/85/96/84/653859684.db2.gz IYFWPOLMISTMMQ-ZZXKWVIFSA-N 1 2 391.269 2.462 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000896134443 653865840 /nfs/dbraw/zinc/86/58/40/653865840.db2.gz VNCUMCOBSUOVPP-SECBINFHSA-N 1 2 385.209 2.066 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(N(C)C)[nH+]1 ZINC000793086885 653865980 /nfs/dbraw/zinc/86/59/80/653865980.db2.gz HMJAJFZTNBLLRU-WBMJQRKESA-N 1 2 385.295 2.437 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000793242634 653871929 /nfs/dbraw/zinc/87/19/29/653871929.db2.gz OXWRIRBOWGTNNJ-UHFFFAOYSA-N 1 2 398.232 2.228 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)c3c(Br)nc4n3CCC4)sc2C1 ZINC000823676655 653876362 /nfs/dbraw/zinc/87/63/62/653876362.db2.gz HCHBKTUJBVCUGE-UHFFFAOYSA-N 1 2 382.287 2.289 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)c3c(Br)nc4n3CCC4)sc2C1 ZINC000823676655 653876364 /nfs/dbraw/zinc/87/63/64/653876364.db2.gz HCHBKTUJBVCUGE-UHFFFAOYSA-N 1 2 382.287 2.289 20 0 GEADLO NS(=O)(=O)C[C@H]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000896398352 653877865 /nfs/dbraw/zinc/87/78/65/653877865.db2.gz JRABXKJLEIMZLW-VIFPVBQESA-N 1 2 388.262 2.251 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C(C)(C)C1 ZINC000846015656 653880791 /nfs/dbraw/zinc/88/07/91/653880791.db2.gz PDFJKSVHPSDRCM-UHFFFAOYSA-N 1 2 382.313 2.120 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C(C)(C)C1 ZINC000846015656 653880793 /nfs/dbraw/zinc/88/07/93/653880793.db2.gz PDFJKSVHPSDRCM-UHFFFAOYSA-N 1 2 382.313 2.120 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)C3=CCOCC3)cc2Br)CC1 ZINC000793942911 653889412 /nfs/dbraw/zinc/88/94/12/653889412.db2.gz JTWRJFOSDDBWDO-UHFFFAOYSA-N 1 2 380.286 2.486 20 0 GEADLO Cc1c[nH+]c(N[C@@H](CCO)C(F)(F)F)nc1N[C@@H](CCO)C(F)(F)F ZINC000884835029 653890697 /nfs/dbraw/zinc/89/06/97/653890697.db2.gz JKEIJYUMBBUVDF-IUCAKERBSA-N 1 2 376.301 2.235 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000896714158 653892264 /nfs/dbraw/zinc/89/22/64/653892264.db2.gz MPNZIMFAJDQFDA-UHFFFAOYSA-N 1 2 391.260 2.393 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 ZINC000896714158 653892267 /nfs/dbraw/zinc/89/22/67/653892267.db2.gz MPNZIMFAJDQFDA-UHFFFAOYSA-N 1 2 391.260 2.393 20 0 GEADLO O=C(Nc1cc(Cl)cc(Br)c1O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896836922 653896466 /nfs/dbraw/zinc/89/64/66/653896466.db2.gz RASCGOZKMRZHDN-JTQLQIEISA-N 1 2 375.650 2.467 20 0 GEADLO Cc1[nH]c(CNC(=O)c2cc(S(C)(=O)=O)ccc2Br)[nH+]c1C ZINC000896920626 653899390 /nfs/dbraw/zinc/89/93/90/653899390.db2.gz PSONNJRQMXIDRZ-UHFFFAOYSA-N 1 2 386.271 2.123 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000824513879 653899600 /nfs/dbraw/zinc/89/96/00/653899600.db2.gz CBQVMMMMJMIANL-SNVBAGLBSA-N 1 2 384.893 2.039 20 0 GEADLO C[N@@H+]1CCN(C(=O)CSc2n[nH]c(=S)s2)[C@@H](Cc2ccccc2)C1 ZINC000846510242 653901171 /nfs/dbraw/zinc/90/11/71/653901171.db2.gz HPZXGHINGRWHPY-ZDUSSCGKSA-N 1 2 380.564 2.304 20 0 GEADLO C[N@H+]1CCN(C(=O)CSc2n[nH]c(=S)s2)[C@@H](Cc2ccccc2)C1 ZINC000846510242 653901174 /nfs/dbraw/zinc/90/11/74/653901174.db2.gz HPZXGHINGRWHPY-ZDUSSCGKSA-N 1 2 380.564 2.304 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2c(Cl)nc(Cl)n2C)c1 ZINC000824738143 653906728 /nfs/dbraw/zinc/90/67/28/653906728.db2.gz JMZCICXCKKLCJW-UHFFFAOYSA-N 1 2 377.297 2.267 20 0 GEADLO CC1(C)C[S@@](=O)CCN1CCCCCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000794569601 653911572 /nfs/dbraw/zinc/91/15/72/653911572.db2.gz YBCYITBLIJQUCC-PSWAGMNNSA-N 1 2 376.632 2.233 20 0 GEADLO CC1(C)C[S@@](=O)CCN1CCCCCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000794569601 653911575 /nfs/dbraw/zinc/91/15/75/653911575.db2.gz YBCYITBLIJQUCC-PSWAGMNNSA-N 1 2 376.632 2.233 20 0 GEADLO CC1(C)C[S@](=O)CCN1CCCCCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000794569601 653911577 /nfs/dbraw/zinc/91/15/77/653911577.db2.gz YBCYITBLIJQUCC-PSWAGMNNSA-N 1 2 376.632 2.233 20 0 GEADLO CC1(C)C[S@](=O)CCN1CCCCCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000794569601 653911582 /nfs/dbraw/zinc/91/15/82/653911582.db2.gz YBCYITBLIJQUCC-PSWAGMNNSA-N 1 2 376.632 2.233 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1c(F)cccc1OC(F)(F)F)C1CCOCC1 ZINC000824903449 653912428 /nfs/dbraw/zinc/91/24/28/653912428.db2.gz HDNLECAKYSLECW-UHFFFAOYSA-N 1 2 385.379 2.408 20 0 GEADLO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000846925037 653913285 /nfs/dbraw/zinc/91/32/85/653913285.db2.gz FMGWJNLQGXQVPP-MRXNPFEDSA-N 1 2 384.929 2.350 20 0 GEADLO COc1nccc(C[N@@H+]2CCn3ncc(I)c3C2)c1F ZINC000897289395 653914640 /nfs/dbraw/zinc/91/46/40/653914640.db2.gz URPBZYDGQOIKLT-UHFFFAOYSA-N 1 2 388.184 2.046 20 0 GEADLO COc1nccc(C[N@H+]2CCn3ncc(I)c3C2)c1F ZINC000897289395 653914642 /nfs/dbraw/zinc/91/46/42/653914642.db2.gz URPBZYDGQOIKLT-UHFFFAOYSA-N 1 2 388.184 2.046 20 0 GEADLO COc1cncc(C[N@@H+]2CCn3ncc(I)c3C2)c1C ZINC000897289430 653914713 /nfs/dbraw/zinc/91/47/13/653914713.db2.gz WDEQIZXYXIZNIY-UHFFFAOYSA-N 1 2 384.221 2.216 20 0 GEADLO COc1cncc(C[N@H+]2CCn3ncc(I)c3C2)c1C ZINC000897289430 653914716 /nfs/dbraw/zinc/91/47/16/653914716.db2.gz WDEQIZXYXIZNIY-UHFFFAOYSA-N 1 2 384.221 2.216 20 0 GEADLO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000897353048 653917588 /nfs/dbraw/zinc/91/75/88/653917588.db2.gz XTJROLXHZFMODR-KBPBESRZSA-N 1 2 381.263 2.051 20 0 GEADLO O=C(c1ccc(Br)nc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825099971 653917641 /nfs/dbraw/zinc/91/76/41/653917641.db2.gz ONMLBFFJNAJGRD-UHFFFAOYSA-N 1 2 375.270 2.240 20 0 GEADLO C[C@@]1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1(Br)Br ZINC000825186336 653920017 /nfs/dbraw/zinc/92/00/17/653920017.db2.gz ZRCZLJLJEZUXMJ-LBPRGKRZSA-N 1 2 398.139 2.110 20 0 GEADLO C[C@@]1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1(Br)Br ZINC000825186336 653920023 /nfs/dbraw/zinc/92/00/23/653920023.db2.gz ZRCZLJLJEZUXMJ-LBPRGKRZSA-N 1 2 398.139 2.110 20 0 GEADLO CN1CC[NH+](CCCS(=O)(=O)Oc2c(F)cc(Cl)cc2Cl)CC1 ZINC000867430493 653931672 /nfs/dbraw/zinc/93/16/72/653931672.db2.gz SVCQTAZTCZHKQR-UHFFFAOYSA-N 1 2 385.288 2.479 20 0 GEADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H](O)c2cccc(Br)c2)[nH]n1 ZINC000897669375 653932518 /nfs/dbraw/zinc/93/25/18/653932518.db2.gz RYVSRQVVFFDMFW-CVEARBPZSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H](O)c2cccc(Br)c2)[nH]n1 ZINC000897669375 653932521 /nfs/dbraw/zinc/93/25/21/653932521.db2.gz RYVSRQVVFFDMFW-CVEARBPZSA-N 1 2 393.285 2.402 20 0 GEADLO CN(C)C(=O)C[NH+]1CCN(c2nccc3ccc(Br)cc32)CC1 ZINC000825526904 653932611 /nfs/dbraw/zinc/93/26/11/653932611.db2.gz VRKNXMGJYTZDDE-UHFFFAOYSA-N 1 2 377.286 2.208 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)N(C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867449355 653933699 /nfs/dbraw/zinc/93/36/99/653933699.db2.gz RRFHGTZWYUZFNM-XDHUDOTRSA-N 1 2 387.571 2.334 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000867449355 653933701 /nfs/dbraw/zinc/93/37/01/653933701.db2.gz RRFHGTZWYUZFNM-XDHUDOTRSA-N 1 2 387.571 2.334 20 0 GEADLO COC(=O)C1([C@]2(O)CCC[N@H+](Cc3ncc(Br)cc3O)C2)CCC1 ZINC000897702282 653934273 /nfs/dbraw/zinc/93/42/73/653934273.db2.gz LPILUGUTWLEHHH-KRWDZBQOSA-N 1 2 399.285 2.220 20 0 GEADLO COC(=O)C1([C@]2(O)CCC[N@@H+](Cc3ncc(Br)cc3O)C2)CCC1 ZINC000897702282 653934274 /nfs/dbraw/zinc/93/42/74/653934274.db2.gz LPILUGUTWLEHHH-KRWDZBQOSA-N 1 2 399.285 2.220 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1F ZINC000867487350 653939271 /nfs/dbraw/zinc/93/92/71/653939271.db2.gz IJFCAEGBIRBWBI-DAOMAXFVSA-N 1 2 389.518 2.134 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1F ZINC000867487350 653939273 /nfs/dbraw/zinc/93/92/73/653939273.db2.gz IJFCAEGBIRBWBI-DAOMAXFVSA-N 1 2 389.518 2.134 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nccc2ccc(Br)cc21 ZINC000825814877 653941512 /nfs/dbraw/zinc/94/15/12/653941512.db2.gz PNQZOWQKRGRBIF-OAHLLOKOSA-N 1 2 380.286 2.127 20 0 GEADLO CN1CCN(c2ccc(NC(=O)C[NH+]3CC(C)(C)C3)cc2Br)CC1 ZINC000847873164 653950303 /nfs/dbraw/zinc/95/03/03/653950303.db2.gz SLOSTHQCFITUQO-UHFFFAOYSA-N 1 2 395.345 2.481 20 0 GEADLO CCc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(=O)OC)ccc1Br ZINC000898081545 653952789 /nfs/dbraw/zinc/95/27/89/653952789.db2.gz JXWOBOSOHCZQFJ-AWEZNQCLSA-N 1 2 380.242 2.180 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000826646756 653955788 /nfs/dbraw/zinc/95/57/88/653955788.db2.gz JVGDXLNFGUUVAV-LLVKDONJSA-N 1 2 377.229 2.066 20 0 GEADLO Cc1nc(SCC(C)C)sc1CC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000826711942 653958363 /nfs/dbraw/zinc/95/83/63/653958363.db2.gz CKESNKZSIRFNQF-AWEZNQCLSA-N 1 2 384.615 2.494 20 0 GEADLO C[C@](O)(C[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1)C(F)F ZINC000885980256 653965084 /nfs/dbraw/zinc/96/50/84/653965084.db2.gz XJDITUPXAYJKPS-HNNXBMFYSA-N 1 2 377.229 2.223 20 0 GEADLO CO[C@H](C)C[N@H+](C)Cn1c2ccc(I)cc2oc1=O ZINC000795744952 653965112 /nfs/dbraw/zinc/96/51/12/653965112.db2.gz AYTBENYKFPULNL-SECBINFHSA-N 1 2 376.194 2.123 20 0 GEADLO CO[C@H](C)C[N@@H+](C)Cn1c2ccc(I)cc2oc1=O ZINC000795744952 653965114 /nfs/dbraw/zinc/96/51/14/653965114.db2.gz AYTBENYKFPULNL-SECBINFHSA-N 1 2 376.194 2.123 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)nc1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000867654841 653969096 /nfs/dbraw/zinc/96/90/96/653969096.db2.gz IKJNUWTUAOMUKB-UHFFFAOYSA-N 1 2 398.941 2.303 20 0 GEADLO Cc1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cnc1Cl ZINC000867655519 653969315 /nfs/dbraw/zinc/96/93/15/653969315.db2.gz TUOIWLBBXOBARO-UHFFFAOYSA-N 1 2 398.941 2.470 20 0 GEADLO Cn1nc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1Cl ZINC000827027994 653971323 /nfs/dbraw/zinc/97/13/23/653971323.db2.gz KPBFVZBKIGNPMG-UHFFFAOYSA-N 1 2 382.295 2.279 20 0 GEADLO CCc1nn(C)cc1C[NH2+][C@H](CO)c1ccccc1I ZINC000898511793 653974806 /nfs/dbraw/zinc/97/48/06/653974806.db2.gz FXOYZDUAGOMAJE-OAHLLOKOSA-N 1 2 385.249 2.410 20 0 GEADLO CC[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000886468711 653988309 /nfs/dbraw/zinc/98/83/09/653988309.db2.gz NRIYPMSFFUQPGG-VIFPVBQESA-N 1 2 382.711 2.212 20 0 GEADLO CC[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000886468711 653988313 /nfs/dbraw/zinc/98/83/13/653988313.db2.gz NRIYPMSFFUQPGG-VIFPVBQESA-N 1 2 382.711 2.212 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)c3cc(O)cc(Br)c3)CC2)CC1 ZINC000827430231 653991244 /nfs/dbraw/zinc/99/12/44/653991244.db2.gz OKPPJDHXBKCPAK-UHFFFAOYSA-N 1 2 382.302 2.007 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccc(OC(F)F)c(Br)c1 ZINC000898896691 653991357 /nfs/dbraw/zinc/99/13/57/653991357.db2.gz QXTHZQCKNPAGAL-SNVBAGLBSA-N 1 2 390.184 2.247 20 0 GEADLO CN1CC[NH+](C2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)CC1 ZINC000867817089 653992699 /nfs/dbraw/zinc/99/26/99/653992699.db2.gz SJCBXYZRFWGAHW-UHFFFAOYSA-N 1 2 393.887 2.019 20 0 GEADLO CN(C)Cc1cnc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)s1 ZINC000796311093 653995433 /nfs/dbraw/zinc/99/54/33/653995433.db2.gz SSJABRANOWXRPN-AWEZNQCLSA-N 1 2 383.901 2.453 20 0 GEADLO CCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)nn1 ZINC000886705930 653995605 /nfs/dbraw/zinc/99/56/05/653995605.db2.gz FMCOFZZOAZDBTM-UHFFFAOYSA-N 1 2 393.289 2.306 20 0 GEADLO C/C(=C/C(=O)NC1(c2ncc(Br)cn2)CCC1)C[NH+]1CCOCC1 ZINC000886842154 654004942 /nfs/dbraw/zinc/00/49/42/654004942.db2.gz JKMSVOSJKIWGNH-LCYFTJDESA-N 1 2 395.301 2.013 20 0 GEADLO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)c2ncnn21 ZINC000849323479 654012698 /nfs/dbraw/zinc/01/26/98/654012698.db2.gz YMJXWFRYGAUOJV-DDTOSNHZSA-N 1 2 376.258 2.442 20 0 GEADLO COc1cc(I)ccc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000868264804 654025957 /nfs/dbraw/zinc/02/59/57/654025957.db2.gz WJPUMYBXPBKUMY-LLVKDONJSA-N 1 2 397.216 2.241 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)NCc1cc(F)c(F)cc1Br ZINC000868301669 654028719 /nfs/dbraw/zinc/02/87/19/654028719.db2.gz OZWNFIYMQHNSGK-OWOJBTEDSA-N 1 2 375.213 2.232 20 0 GEADLO OC1CC[NH+](Cc2cn([C@@H]3CCOc4ccc(Br)cc43)nn2)CC1 ZINC000899739282 654030998 /nfs/dbraw/zinc/03/09/98/654030998.db2.gz HAKYAJRVKLZMPU-MRXNPFEDSA-N 1 2 393.285 2.369 20 0 GEADLO COC1CC[NH+](Cc2cn(Cc3ccc(F)nc3Br)nn2)CC1 ZINC000899746075 654031339 /nfs/dbraw/zinc/03/13/39/654031339.db2.gz VRYUORZTTYIYNQ-UHFFFAOYSA-N 1 2 384.253 2.234 20 0 GEADLO C[C@H]1CN(C(=O)C(F)(F)c2ccccc2Br)CC[N@@H+]1CCO ZINC000829046970 654058525 /nfs/dbraw/zinc/05/85/25/654058525.db2.gz LQJRSEYLSDZHCT-NSHDSACASA-N 1 2 377.229 2.066 20 0 GEADLO C[C@H]1CN(C(=O)C(F)(F)c2ccccc2Br)CC[N@H+]1CCO ZINC000829046970 654058528 /nfs/dbraw/zinc/05/85/28/654058528.db2.gz LQJRSEYLSDZHCT-NSHDSACASA-N 1 2 377.229 2.066 20 0 GEADLO Cc1nc(N2CCN(C(=O)[C@H](O)c3ccc(Cl)c(Cl)c3)CC2)cc[nH+]1 ZINC000829253506 654063454 /nfs/dbraw/zinc/06/34/54/654063454.db2.gz UCFHSRYGGRMANX-MRXNPFEDSA-N 1 2 381.263 2.474 20 0 GEADLO O=C(NCc1ncc(Br)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000869193041 654076132 /nfs/dbraw/zinc/07/61/32/654076132.db2.gz ICXMKGUHDKHBTQ-UHFFFAOYSA-N 1 2 382.287 2.332 20 0 GEADLO C[C@H](NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900809896 654082108 /nfs/dbraw/zinc/08/21/08/654082108.db2.gz FIQUJIYUBWGZGY-GWCFXTLKSA-N 1 2 378.826 2.047 20 0 GEADLO C[C@H](NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900809896 654082109 /nfs/dbraw/zinc/08/21/09/654082109.db2.gz FIQUJIYUBWGZGY-GWCFXTLKSA-N 1 2 378.826 2.047 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(C(=O)C(F)(F)c2ccccc2Br)[C@@H](C)C1 ZINC000829910120 654084045 /nfs/dbraw/zinc/08/40/45/654084045.db2.gz CCNPWZYIENFZSU-RYUDHWBXSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(C(=O)C(F)(F)c2ccccc2Br)[C@@H](C)C1 ZINC000829910120 654084050 /nfs/dbraw/zinc/08/40/50/654084050.db2.gz CCNPWZYIENFZSU-RYUDHWBXSA-N 1 2 391.256 2.454 20 0 GEADLO Cc1[nH]c(CNC(=O)Cc2cc3c(cc2Br)OCCO3)[nH+]c1C ZINC000900996577 654102402 /nfs/dbraw/zinc/10/24/02/654102402.db2.gz FYEXXTNUOBKSNZ-UHFFFAOYSA-N 1 2 380.242 2.419 20 0 GEADLO Cc1ncc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c(C)c1Br ZINC000830185918 654104587 /nfs/dbraw/zinc/10/45/87/654104587.db2.gz BVAMYAUWLVWTNQ-HIFRSBDPSA-N 1 2 398.301 2.279 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000916882198 654110483 /nfs/dbraw/zinc/11/04/83/654110483.db2.gz FYGGZLVOKZJLQC-LSDHHAIUSA-N 1 2 383.290 2.021 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1 ZINC000916882198 654110488 /nfs/dbraw/zinc/11/04/88/654110488.db2.gz FYGGZLVOKZJLQC-LSDHHAIUSA-N 1 2 383.290 2.021 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000830480188 654120673 /nfs/dbraw/zinc/12/06/73/654120673.db2.gz NRNCIDOAWKETMV-CQSZACIVSA-N 1 2 398.301 2.180 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000830480188 654120677 /nfs/dbraw/zinc/12/06/77/654120677.db2.gz NRNCIDOAWKETMV-CQSZACIVSA-N 1 2 398.301 2.180 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)COc2ccc(Br)cc2F)CCO1 ZINC000800100175 654129159 /nfs/dbraw/zinc/12/91/59/654129159.db2.gz NVVFXWSGNZOVDZ-NSHDSACASA-N 1 2 376.222 2.231 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)COc2ccc(Br)cc2F)CCO1 ZINC000800100175 654129161 /nfs/dbraw/zinc/12/91/61/654129161.db2.gz NVVFXWSGNZOVDZ-NSHDSACASA-N 1 2 376.222 2.231 20 0 GEADLO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800138668 654131765 /nfs/dbraw/zinc/13/17/65/654131765.db2.gz MAPVVDWKFDEEBG-VXGBXAGGSA-N 1 2 389.279 2.376 20 0 GEADLO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800138668 654131767 /nfs/dbraw/zinc/13/17/67/654131767.db2.gz MAPVVDWKFDEEBG-VXGBXAGGSA-N 1 2 389.279 2.376 20 0 GEADLO O=C(CCc1ccc(Cl)c(Cl)c1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870069687 654141926 /nfs/dbraw/zinc/14/19/26/654141926.db2.gz BERLZSAMRPXFIO-OAHLLOKOSA-N 1 2 387.307 2.486 20 0 GEADLO O=C(CCSc1ccc(Cl)cc1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870075016 654142448 /nfs/dbraw/zinc/14/24/48/654142448.db2.gz DJUPDFDMYCFXTA-INIZCTEOSA-N 1 2 384.929 2.382 20 0 GEADLO Cc1ncc(Br)n1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000918316780 654147544 /nfs/dbraw/zinc/14/75/44/654147544.db2.gz HZSCGLPERYJFIJ-UHFFFAOYSA-N 1 2 393.285 2.425 20 0 GEADLO CC[N@H+](CCn1cnc(Br)n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000851723222 654172884 /nfs/dbraw/zinc/17/28/84/654172884.db2.gz XDZVCJGJJLYAFM-UHFFFAOYSA-N 1 2 377.246 2.212 20 0 GEADLO CC[N@@H+](CCn1cnc(Br)n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000851723222 654172886 /nfs/dbraw/zinc/17/28/86/654172886.db2.gz XDZVCJGJJLYAFM-UHFFFAOYSA-N 1 2 377.246 2.212 20 0 GEADLO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000919288227 654177094 /nfs/dbraw/zinc/17/70/94/654177094.db2.gz OMOABWRLXJZHLX-WDEREUQCSA-N 1 2 380.388 2.148 20 0 GEADLO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000919288227 654177096 /nfs/dbraw/zinc/17/70/96/654177096.db2.gz OMOABWRLXJZHLX-WDEREUQCSA-N 1 2 380.388 2.148 20 0 GEADLO O=C(Nc1ccc(F)cc1Br)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000902680275 654193080 /nfs/dbraw/zinc/19/30/80/654193080.db2.gz LBCSCEKREAUSPX-DOMZBBRYSA-N 1 2 387.249 2.407 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@H]1C[N@H+](C)CCN1C ZINC000920002086 654199076 /nfs/dbraw/zinc/19/90/76/654199076.db2.gz ZUSRZIJHMMPIFQ-BXUZGUMPSA-N 1 2 387.958 2.467 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@H]1C[N@@H+](C)CCN1C ZINC000920002086 654199079 /nfs/dbraw/zinc/19/90/79/654199079.db2.gz ZUSRZIJHMMPIFQ-BXUZGUMPSA-N 1 2 387.958 2.467 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000851960148 654208980 /nfs/dbraw/zinc/20/89/80/654208980.db2.gz GHGLNXKDQUOKID-NHYWBVRUSA-N 1 2 376.284 2.047 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cccc(C(=O)C(F)(F)F)c2)CC1 ZINC000903010348 654209422 /nfs/dbraw/zinc/20/94/22/654209422.db2.gz SAIMESPCVGRCPC-UHFFFAOYSA-N 1 2 378.416 2.335 20 0 GEADLO O=C(C[N@H+]1CCCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1)N1CCCC1 ZINC000920444172 654212665 /nfs/dbraw/zinc/21/26/65/654212665.db2.gz WAWZBXNOHNREIJ-UHFFFAOYSA-N 1 2 385.295 2.159 20 0 GEADLO O=C(C[N@@H+]1CCCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1)N1CCCC1 ZINC000920444172 654212667 /nfs/dbraw/zinc/21/26/67/654212667.db2.gz WAWZBXNOHNREIJ-UHFFFAOYSA-N 1 2 385.295 2.159 20 0 GEADLO C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000870947002 654213100 /nfs/dbraw/zinc/21/31/00/654213100.db2.gz NDPIOQIHCOQMND-KDOFPFPSSA-N 1 2 392.297 2.318 20 0 GEADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000802240644 654224040 /nfs/dbraw/zinc/22/40/40/654224040.db2.gz BTRCEUSKSOOZFL-HUUCEWRRSA-N 1 2 386.876 2.442 20 0 GEADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000802240644 654224047 /nfs/dbraw/zinc/22/40/47/654224047.db2.gz BTRCEUSKSOOZFL-HUUCEWRRSA-N 1 2 386.876 2.442 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000920923676 654226892 /nfs/dbraw/zinc/22/68/92/654226892.db2.gz DAOSEAJLLLQSMT-WFASDCNBSA-N 1 2 378.416 2.063 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000920923676 654226900 /nfs/dbraw/zinc/22/69/00/654226900.db2.gz DAOSEAJLLLQSMT-WFASDCNBSA-N 1 2 378.416 2.063 20 0 GEADLO C[C@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1cc2n(n1)CCC2 ZINC000903326498 654234279 /nfs/dbraw/zinc/23/42/79/654234279.db2.gz QUEOKFVOKUTYNP-XPTSAGLGSA-N 1 2 376.258 2.201 20 0 GEADLO C[C@@](CO)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc(Br)c1 ZINC000890631749 654234526 /nfs/dbraw/zinc/23/45/26/654234526.db2.gz HRUIETVAKCNQEQ-SJCJKPOMSA-N 1 2 378.270 2.232 20 0 GEADLO CN(C)c1nc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(Cl)n1-c1ccccc1 ZINC000802645141 654235028 /nfs/dbraw/zinc/23/50/28/654235028.db2.gz JPYRXARZLPHQIP-CYBMUJFWSA-N 1 2 382.917 2.259 20 0 GEADLO COCCOC1CC[NH+](CN2Cc3ccc(Br)cc3C2=O)CC1 ZINC000802731317 654237565 /nfs/dbraw/zinc/23/75/65/654237565.db2.gz LPABECONKULEJI-UHFFFAOYSA-N 1 2 383.286 2.490 20 0 GEADLO COCCO[C@@H]1CCC[N@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000802740462 654239741 /nfs/dbraw/zinc/23/97/41/654239741.db2.gz DDGRHWYMSMEYJP-OAHLLOKOSA-N 1 2 383.286 2.490 20 0 GEADLO COCCO[C@@H]1CCC[N@@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000802740462 654239744 /nfs/dbraw/zinc/23/97/44/654239744.db2.gz DDGRHWYMSMEYJP-OAHLLOKOSA-N 1 2 383.286 2.490 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)CN1Cc2c(cccc2Br)C1=O ZINC000802740211 654239926 /nfs/dbraw/zinc/23/99/26/654239926.db2.gz OIEZFFJHPGVWLA-CYBMUJFWSA-N 1 2 382.302 2.015 20 0 GEADLO O=S(=O)(c1cnc2n1CCCC2)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000903497755 654241939 /nfs/dbraw/zinc/24/19/39/654241939.db2.gz OQJMDKOABQRXOL-OAHLLOKOSA-N 1 2 380.901 2.208 20 0 GEADLO Cc1[nH]c(=S)sc1CC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871541454 654242061 /nfs/dbraw/zinc/24/20/61/654242061.db2.gz XPNPWRZLBXBIKE-UHFFFAOYSA-N 1 2 385.555 2.205 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[C@@]2(C)Br)CC1 ZINC000871545804 654242516 /nfs/dbraw/zinc/24/25/16/654242516.db2.gz VVFUJFOBOKOTDP-MLGOLLRUSA-N 1 2 375.307 2.082 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc(F)ccc1OC(F)F ZINC000921322512 654247853 /nfs/dbraw/zinc/24/78/53/654247853.db2.gz UDLIKAWOPUMTQF-VXGBXAGGSA-N 1 2 396.456 2.285 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1cc(F)ccc1OC(F)F ZINC000921322512 654247860 /nfs/dbraw/zinc/24/78/60/654247860.db2.gz UDLIKAWOPUMTQF-VXGBXAGGSA-N 1 2 396.456 2.285 20 0 GEADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000921413071 654265527 /nfs/dbraw/zinc/26/55/27/654265527.db2.gz CEWLVVVFMOXXJF-GJZGRUSLSA-N 1 2 388.917 2.270 20 0 GEADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000921413071 654265532 /nfs/dbraw/zinc/26/55/32/654265532.db2.gz CEWLVVVFMOXXJF-GJZGRUSLSA-N 1 2 388.917 2.270 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)n(C)c1 ZINC000903629066 654269812 /nfs/dbraw/zinc/26/98/12/654269812.db2.gz OCCAKQBSEIVIBN-UHFFFAOYSA-N 1 2 385.873 2.328 20 0 GEADLO Cn1ccc(-c2nc(C[NH2+]Cc3cccc(NS(C)(=O)=O)c3)cs2)n1 ZINC000921509216 654276892 /nfs/dbraw/zinc/27/68/92/654276892.db2.gz QQOFJFARBPWXEK-UHFFFAOYSA-N 1 2 377.495 2.205 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CO)c1ccccc1I ZINC000891321882 654283898 /nfs/dbraw/zinc/28/38/98/654283898.db2.gz KWRXAQXXTRAXBM-YGRLFVJLSA-N 1 2 399.232 2.043 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)c1ccccc1I ZINC000891321882 654283900 /nfs/dbraw/zinc/28/39/00/654283900.db2.gz KWRXAQXXTRAXBM-YGRLFVJLSA-N 1 2 399.232 2.043 20 0 GEADLO CCN(CC)C(=O)C[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000921596133 654289574 /nfs/dbraw/zinc/28/95/74/654289574.db2.gz STAWQAIPAQMEOX-UHFFFAOYSA-N 1 2 396.127 2.386 20 0 GEADLO O=C(CNc1[nH+]cnc2c1cnn2-c1cccc(Br)c1)NC1CC1 ZINC000891589104 654301961 /nfs/dbraw/zinc/30/19/61/654301961.db2.gz JDVXTYPMRHROIA-UHFFFAOYSA-N 1 2 387.241 2.269 20 0 GEADLO Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+](C)C[C@@H]1COCCO1 ZINC000853559210 654303968 /nfs/dbraw/zinc/30/39/68/654303968.db2.gz YAVUQSQWTOFPRH-OAHLLOKOSA-N 1 2 381.274 2.321 20 0 GEADLO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000853559210 654303971 /nfs/dbraw/zinc/30/39/71/654303971.db2.gz YAVUQSQWTOFPRH-OAHLLOKOSA-N 1 2 381.274 2.321 20 0 GEADLO COC(=O)N[C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804270250 654304240 /nfs/dbraw/zinc/30/42/40/654304240.db2.gz PWOAJGAGAWDUNU-NSHDSACASA-N 1 2 399.245 2.012 20 0 GEADLO O=C(/C=C/c1ccc(I)o1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804335820 654306073 /nfs/dbraw/zinc/30/60/73/654306073.db2.gz FAPYGHRBFOEBME-RWCYGVJQSA-N 1 2 383.189 2.225 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853604727 654308985 /nfs/dbraw/zinc/30/89/85/654308985.db2.gz HMSXDMWKDDKREL-WFASDCNBSA-N 1 2 390.311 2.389 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853604727 654308987 /nfs/dbraw/zinc/30/89/87/654308987.db2.gz HMSXDMWKDDKREL-WFASDCNBSA-N 1 2 390.311 2.389 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000891746118 654309158 /nfs/dbraw/zinc/30/91/58/654309158.db2.gz PHPANZRMXHVSNB-OAHLLOKOSA-N 1 2 395.301 2.397 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000891746118 654309161 /nfs/dbraw/zinc/30/91/61/654309161.db2.gz PHPANZRMXHVSNB-OAHLLOKOSA-N 1 2 395.301 2.397 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853606096 654309246 /nfs/dbraw/zinc/30/92/46/654309246.db2.gz KJJSGWMLROUSNA-FZMZJTMJSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853606096 654309249 /nfs/dbraw/zinc/30/92/49/654309249.db2.gz KJJSGWMLROUSNA-FZMZJTMJSA-N 1 2 376.284 2.047 20 0 GEADLO S=c1sc(N2CCOCC2)nn1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000853625275 654311508 /nfs/dbraw/zinc/31/15/08/654311508.db2.gz VJUAURUCMXEZKK-CALCHBBNSA-N 1 2 382.555 2.361 20 0 GEADLO S=c1sc(N2CCOCC2)nn1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000853625275 654311511 /nfs/dbraw/zinc/31/15/11/654311511.db2.gz VJUAURUCMXEZKK-CALCHBBNSA-N 1 2 382.555 2.361 20 0 GEADLO C[N@@H+]1CCN(c2nc(C(F)(F)F)ns2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000804556211 654313697 /nfs/dbraw/zinc/31/36/97/654313697.db2.gz ZJMQXEMOAVCLPZ-SECBINFHSA-N 1 2 381.424 2.202 20 0 GEADLO C[N@H+]1CCN(c2nc(C(F)(F)F)ns2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000804556211 654313702 /nfs/dbraw/zinc/31/37/02/654313702.db2.gz ZJMQXEMOAVCLPZ-SECBINFHSA-N 1 2 381.424 2.202 20 0 GEADLO COc1ccc(Br)cc1[C@@H](N)c1nc(Cc2c[nH+]cn2C)no1 ZINC000904647559 654314754 /nfs/dbraw/zinc/31/47/54/654314754.db2.gz VYXRPGTUFNRXLM-CQSZACIVSA-N 1 2 378.230 2.213 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(c2cc(Br)cnc2Br)[C@@H](C)C1 ZINC000804624109 654315596 /nfs/dbraw/zinc/31/55/96/654315596.db2.gz JYGADDLVYHRUDZ-UWVGGRQHSA-N 1 2 393.123 2.498 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(c2cc(Br)cnc2Br)[C@@H](C)C1 ZINC000804624109 654315599 /nfs/dbraw/zinc/31/55/99/654315599.db2.gz JYGADDLVYHRUDZ-UWVGGRQHSA-N 1 2 393.123 2.498 20 0 GEADLO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3nc(Br)c[nH]3)C2=O)c1 ZINC000921809816 654325932 /nfs/dbraw/zinc/32/59/32/654325932.db2.gz KYCPEYNSHGRPQL-ZDUSSCGKSA-N 1 2 395.257 2.085 20 0 GEADLO Cc1c(C(=O)NCCCn2cc[nH+]c2)nnn1-c1ccccc1Br ZINC000905045840 654328183 /nfs/dbraw/zinc/32/81/83/654328183.db2.gz GPWOQCVXXOSAHS-UHFFFAOYSA-N 1 2 389.257 2.355 20 0 GEADLO O=S(=O)(c1cnc(Cl)c(F)c1)N1CC[NH+](CCc2cccs2)CC1 ZINC000804965839 654328854 /nfs/dbraw/zinc/32/88/54/654328854.db2.gz GJJHSHKKTKFYQD-UHFFFAOYSA-N 1 2 389.905 2.485 20 0 GEADLO O=C(C[NH+]1CCN(c2nc(Cl)nc3sccc32)CC1)N1CCCCC1 ZINC000872397643 654329554 /nfs/dbraw/zinc/32/95/54/654329554.db2.gz TYEYPGBKELRTIX-UHFFFAOYSA-N 1 2 379.917 2.479 20 0 GEADLO O=C(NCCn1cc(Br)cn1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000805002758 654333249 /nfs/dbraw/zinc/33/32/49/654333249.db2.gz ASPDRZGJNKOLFW-UHFFFAOYSA-N 1 2 389.257 2.331 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000905145002 654334613 /nfs/dbraw/zinc/33/46/13/654334613.db2.gz XXUIPZRUUWLBHZ-DGCLKSJQSA-N 1 2 379.262 2.371 20 0 GEADLO Cn1ccc(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)nc1=O ZINC000892311890 654339630 /nfs/dbraw/zinc/33/96/30/654339630.db2.gz CLMVKTXWIGBILR-HNNXBMFYSA-N 1 2 391.269 2.153 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000921907264 654340228 /nfs/dbraw/zinc/34/02/28/654340228.db2.gz FCYJLHINTCVMQB-OAHLLOKOSA-N 1 2 386.901 2.074 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000921907264 654340235 /nfs/dbraw/zinc/34/02/35/654340235.db2.gz FCYJLHINTCVMQB-OAHLLOKOSA-N 1 2 386.901 2.074 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2C)CC[N@@H+]1CCOC ZINC000805051584 654341533 /nfs/dbraw/zinc/34/15/33/654341533.db2.gz MIEKFCDVEVYJPT-AWEZNQCLSA-N 1 2 375.922 2.165 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2C)CC[N@H+]1CCOC ZINC000805051584 654341537 /nfs/dbraw/zinc/34/15/37/654341537.db2.gz MIEKFCDVEVYJPT-AWEZNQCLSA-N 1 2 375.922 2.165 20 0 GEADLO CC(C)(CNC(=O)c1ccc(C(F)(F)Br)nc1)[NH+]1CCOCC1 ZINC000854240838 654346218 /nfs/dbraw/zinc/34/62/18/654346218.db2.gz NOFRVKLRYPYDTL-UHFFFAOYSA-N 1 2 392.244 2.366 20 0 GEADLO C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1nc(Br)cs1 ZINC000834760932 654346885 /nfs/dbraw/zinc/34/68/85/654346885.db2.gz MBLYLELXWCDIRZ-MNOVXSKESA-N 1 2 398.330 2.481 20 0 GEADLO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1nc(Br)cs1 ZINC000834760938 654347384 /nfs/dbraw/zinc/34/73/84/654347384.db2.gz MBLYLELXWCDIRZ-WDEREUQCSA-N 1 2 398.330 2.481 20 0 GEADLO O=C(c1cc(Br)[nH]n1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000834777158 654347744 /nfs/dbraw/zinc/34/77/44/654347744.db2.gz FTIHPCKTJAOXMQ-OKILXGFUSA-N 1 2 375.270 2.376 20 0 GEADLO O=C(c1cc(Br)[nH]n1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000834777158 654347749 /nfs/dbraw/zinc/34/77/49/654347749.db2.gz FTIHPCKTJAOXMQ-OKILXGFUSA-N 1 2 375.270 2.376 20 0 GEADLO O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC000921999093 654353236 /nfs/dbraw/zinc/35/32/36/654353236.db2.gz HQQKLVMYAWJLQJ-UHFFFAOYSA-N 1 2 385.287 2.002 20 0 GEADLO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]C[C@@H](O)C(F)(F)F)sc2C1 ZINC000835035438 654358349 /nfs/dbraw/zinc/35/83/49/654358349.db2.gz ISCDZNDRLOVSIJ-LLVKDONJSA-N 1 2 381.420 2.449 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000922079474 654364367 /nfs/dbraw/zinc/36/43/67/654364367.db2.gz PQFVIWJWOVLJGC-OLZOCXBDSA-N 1 2 391.273 2.297 20 0 GEADLO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000835170056 654368375 /nfs/dbraw/zinc/36/83/75/654368375.db2.gz ROOMSRQCIAQEIK-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000835170056 654368380 /nfs/dbraw/zinc/36/83/80/654368380.db2.gz ROOMSRQCIAQEIK-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000922320639 654383388 /nfs/dbraw/zinc/38/33/88/654383388.db2.gz QPVWEAINFQWUNN-UHFFFAOYSA-N 1 2 385.253 2.311 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000854894372 654387870 /nfs/dbraw/zinc/38/78/70/654387870.db2.gz HBDKFLQIJUBJOM-IOASZLSFSA-N 1 2 378.270 2.478 20 0 GEADLO COc1cc(Cl)c(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1Cl ZINC000922492246 654397351 /nfs/dbraw/zinc/39/73/51/654397351.db2.gz MQBLPQDQXMTZJI-UHFFFAOYSA-N 1 2 389.326 2.149 20 0 GEADLO Cc1ccnc(C[NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)c1Br ZINC000922495801 654397752 /nfs/dbraw/zinc/39/77/52/654397752.db2.gz BOVYPHZKFKSXIV-UHFFFAOYSA-N 1 2 381.274 2.460 20 0 GEADLO C[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000872848603 654400510 /nfs/dbraw/zinc/40/05/10/654400510.db2.gz HYRMSUACZXAXSU-GJZGRUSLSA-N 1 2 381.464 2.178 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000855324396 654411848 /nfs/dbraw/zinc/41/18/48/654411848.db2.gz UFAONAGOZYDUGH-PWSUYJOCSA-N 1 2 391.107 2.317 20 0 GEADLO C[NH+]1CCN(c2ccc(N[C@H]3CCNC(=O)CC3)cc2Br)CC1 ZINC000873112560 654416357 /nfs/dbraw/zinc/41/63/57/654416357.db2.gz CYHSPLCASSOIOK-CYBMUJFWSA-N 1 2 381.318 2.282 20 0 GEADLO CN(Cc1ccc(Br)o1)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906111521 654416792 /nfs/dbraw/zinc/41/67/92/654416792.db2.gz JUSYQYUSOJRERS-UHFFFAOYSA-N 1 2 396.285 2.448 20 0 GEADLO C[C@H]([NH2+]Cc1cn(Cc2ncon2)nn1)c1ccc(F)c(Br)c1 ZINC000906303127 654426686 /nfs/dbraw/zinc/42/66/86/654426686.db2.gz DSSYFBDFSOGVHQ-VIFPVBQESA-N 1 2 381.209 2.462 20 0 GEADLO C[N@H+](CC(=O)[O-])C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923230850 654435439 /nfs/dbraw/zinc/43/54/39/654435439.db2.gz LAFMJKYEEVLRGK-CYBMUJFWSA-N 1 2 391.295 2.214 20 0 GEADLO C[N@@H+](CC(=O)[O-])C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923230850 654435442 /nfs/dbraw/zinc/43/54/42/654435442.db2.gz LAFMJKYEEVLRGK-CYBMUJFWSA-N 1 2 391.295 2.214 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H](O)[C@H](F)C3)[nH+]c12 ZINC000894167207 654452162 /nfs/dbraw/zinc/45/21/62/654452162.db2.gz MTDSMAZLIRYXAT-KGLIPLIRSA-N 1 2 399.264 2.062 20 0 GEADLO Cn1nc(Br)nc1C[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000894175782 654453347 /nfs/dbraw/zinc/45/33/47/654453347.db2.gz LUANMLZQOUWMKO-UHFFFAOYSA-N 1 2 380.168 2.204 20 0 GEADLO COC(=O)c1cnc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)s1 ZINC000894198688 654454661 /nfs/dbraw/zinc/45/46/61/654454661.db2.gz GAVKYFUSNSEVLV-UHFFFAOYSA-N 1 2 398.282 2.212 20 0 GEADLO C[C@@H]1CN(c2ccc(NCc3nc(Br)nn3C)c[nH+]2)C[C@@H](C)O1 ZINC000894413559 654473478 /nfs/dbraw/zinc/47/34/78/654473478.db2.gz SZTURVWNWHRQPA-GHMZBOCLSA-N 1 2 381.278 2.198 20 0 GEADLO Cc1nc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)sc1Br ZINC000894417301 654473548 /nfs/dbraw/zinc/47/35/48/654473548.db2.gz LGWFKOLFVGPONU-LKFCYVNXSA-N 1 2 387.303 2.167 20 0 GEADLO Cc1nc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)sc1Br ZINC000894417301 654473549 /nfs/dbraw/zinc/47/35/49/654473549.db2.gz LGWFKOLFVGPONU-LKFCYVNXSA-N 1 2 387.303 2.167 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCc2cnc(Cl)s2)CC1 ZINC000923680255 654475830 /nfs/dbraw/zinc/47/58/30/654475830.db2.gz UTWFQDBXAPHTGI-UHFFFAOYSA-N 1 2 388.921 2.402 20 0 GEADLO CO[C@@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000906975317 654494687 /nfs/dbraw/zinc/49/46/87/654494687.db2.gz JLUDFRRUDDFLOP-SMDDNHRTSA-N 1 2 389.315 2.131 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000894773445 654498284 /nfs/dbraw/zinc/49/82/84/654498284.db2.gz HSDOMOHENPIGQT-UWVGGRQHSA-N 1 2 396.289 2.240 20 0 GEADLO Cn1cc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c(I)n1 ZINC000894787615 654499145 /nfs/dbraw/zinc/49/91/45/654499145.db2.gz RTSVDLACCSPZLP-UHFFFAOYSA-N 1 2 397.264 2.310 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000894847286 654502158 /nfs/dbraw/zinc/50/21/58/654502158.db2.gz DEXLCOYFKFUHDF-LBPRGKRZSA-N 1 2 375.254 2.273 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000894847286 654502159 /nfs/dbraw/zinc/50/21/59/654502159.db2.gz DEXLCOYFKFUHDF-LBPRGKRZSA-N 1 2 375.254 2.273 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000894852888 654502409 /nfs/dbraw/zinc/50/24/09/654502409.db2.gz WTHQAKZOTYYMPM-STQMWFEESA-N 1 2 384.489 2.292 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000894852888 654502412 /nfs/dbraw/zinc/50/24/12/654502412.db2.gz WTHQAKZOTYYMPM-STQMWFEESA-N 1 2 384.489 2.292 20 0 GEADLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1c[nH]c2ncc(Cl)cc12 ZINC000907064863 654506065 /nfs/dbraw/zinc/50/60/65/654506065.db2.gz JURQNOFJCBXNGH-LBPRGKRZSA-N 1 2 377.857 2.169 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)N2CCCN(c3nccs3)CC2)n1 ZINC000924764543 654523916 /nfs/dbraw/zinc/52/39/16/654523916.db2.gz BVYQXYVINSIPMQ-UHFFFAOYSA-N 1 2 380.543 2.083 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)n1 ZINC000924779771 654524504 /nfs/dbraw/zinc/52/45/04/654524504.db2.gz FUKGUVGAYSWENE-ZFWWWQNUSA-N 1 2 380.539 2.184 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3CCCC(=O)N3C)[nH+]c12 ZINC000907355054 654535387 /nfs/dbraw/zinc/53/53/87/654535387.db2.gz PEZZSXYZHUEGDC-AWEZNQCLSA-N 1 2 393.285 2.075 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCSC[C@@H]2c2nccs2)C1 ZINC000907458258 654544959 /nfs/dbraw/zinc/54/49/59/654544959.db2.gz WPYUAZGAXGJDRS-ZIAGYGMSSA-N 1 2 383.539 2.035 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCSC[C@@H]2c2nccs2)C1 ZINC000907458258 654544962 /nfs/dbraw/zinc/54/49/62/654544962.db2.gz WPYUAZGAXGJDRS-ZIAGYGMSSA-N 1 2 383.539 2.035 20 0 GEADLO O=C(NCC1(n2cc(Br)cn2)CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000927103580 654591966 /nfs/dbraw/zinc/59/19/66/654591966.db2.gz RAJDRAZQKIVJHT-CQSZACIVSA-N 1 2 393.289 2.378 20 0 GEADLO O=C(Cn1ccc(Br)cc1=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927110481 654593244 /nfs/dbraw/zinc/59/32/44/654593244.db2.gz SKWIWAWLQUUINQ-UHFFFAOYSA-N 1 2 391.269 2.109 20 0 GEADLO O=C([C@@H]1[C@@H]2CCC(=O)[C@@H]21)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000908126589 654606514 /nfs/dbraw/zinc/60/65/14/654606514.db2.gz XZKGCLWEBKGDMA-DAXOMENPSA-N 1 2 392.253 2.493 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc2cncc(Br)c2n1 ZINC000928635025 654653330 /nfs/dbraw/zinc/65/33/30/654653330.db2.gz NUCNQGVWRRBKSX-CYBMUJFWSA-N 1 2 393.285 2.233 20 0 GEADLO O=C(CNc1cccc[nH+]1)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000909362081 654661206 /nfs/dbraw/zinc/66/12/06/654661206.db2.gz ICARRNNTHKOULG-CYBMUJFWSA-N 1 2 396.260 2.363 20 0 GEADLO O=C(CNc1cccc[nH+]1)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000909362083 654661277 /nfs/dbraw/zinc/66/12/77/654661277.db2.gz ICARRNNTHKOULG-ZDUSSCGKSA-N 1 2 396.260 2.363 20 0 GEADLO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000929131163 654672686 /nfs/dbraw/zinc/67/26/86/654672686.db2.gz MYDHGVPYRFNMQH-GFCCVEGCSA-N 1 2 377.432 2.364 20 0 GEADLO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000929131163 654672688 /nfs/dbraw/zinc/67/26/88/654672688.db2.gz MYDHGVPYRFNMQH-GFCCVEGCSA-N 1 2 377.432 2.364 20 0 GEADLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930300914 654705234 /nfs/dbraw/zinc/70/52/34/654705234.db2.gz RNHYDJMZKLTGSX-DQYPLSBCSA-N 1 2 393.285 2.266 20 0 GEADLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930300914 654705236 /nfs/dbraw/zinc/70/52/36/654705236.db2.gz RNHYDJMZKLTGSX-DQYPLSBCSA-N 1 2 393.285 2.266 20 0 GEADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](CCOC1CCSCC1)C2 ZINC000930367710 654707248 /nfs/dbraw/zinc/70/72/48/654707248.db2.gz NLCHWLBZVAHXGP-UHFFFAOYSA-N 1 2 384.567 2.207 20 0 GEADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](CCOC1CCSCC1)C2 ZINC000930367710 654707252 /nfs/dbraw/zinc/70/72/52/654707252.db2.gz NLCHWLBZVAHXGP-UHFFFAOYSA-N 1 2 384.567 2.207 20 0 GEADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000910924191 654714153 /nfs/dbraw/zinc/71/41/53/654714153.db2.gz BHPNLTHCOLVNBP-STQMWFEESA-N 1 2 382.917 2.173 20 0 GEADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000910924191 654714155 /nfs/dbraw/zinc/71/41/55/654714155.db2.gz BHPNLTHCOLVNBP-STQMWFEESA-N 1 2 382.917 2.173 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCNC(=O)CC1(C)C)c1ccc(Br)cc1 ZINC000931205562 654733674 /nfs/dbraw/zinc/73/36/74/654733674.db2.gz FRZWMORRCMORIW-GFCCVEGCSA-N 1 2 382.302 2.227 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCNC(=O)CC1(C)C)c1ccc(Br)cc1 ZINC000931205562 654733676 /nfs/dbraw/zinc/73/36/76/654733676.db2.gz FRZWMORRCMORIW-GFCCVEGCSA-N 1 2 382.302 2.227 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCNC(=O)CC1(C)C ZINC000931202912 654733814 /nfs/dbraw/zinc/73/38/14/654733814.db2.gz PMEDUMIUSQDASR-UHFFFAOYSA-N 1 2 388.331 2.070 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCNC(=O)CC1(C)C ZINC000931202912 654733817 /nfs/dbraw/zinc/73/38/17/654733817.db2.gz PMEDUMIUSQDASR-UHFFFAOYSA-N 1 2 388.331 2.070 20 0 GEADLO O=C(c1cc(Br)cn2ncnc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000931237175 654735433 /nfs/dbraw/zinc/73/54/33/654735433.db2.gz MJGDTJRDBBSDJH-UHFFFAOYSA-N 1 2 375.230 2.166 20 0 GEADLO COc1ccc(C[N@@H+]2CCC(OC)(OC)[C@H](O)C2)c(Br)c1OC ZINC000931641616 654750342 /nfs/dbraw/zinc/75/03/42/654750342.db2.gz ZZOKTNAYWBSTHG-CYBMUJFWSA-N 1 2 390.274 2.022 20 0 GEADLO COc1ccc(C[N@H+]2CCC(OC)(OC)[C@H](O)C2)c(Br)c1OC ZINC000931641616 654750343 /nfs/dbraw/zinc/75/03/43/654750343.db2.gz ZZOKTNAYWBSTHG-CYBMUJFWSA-N 1 2 390.274 2.022 20 0 GEADLO O=C1C[C@H](C[N@@H+]2CCc3nc[nH]c3[C@H]2c2ccc(Br)cc2)CN1 ZINC000931798355 654757510 /nfs/dbraw/zinc/75/75/10/654757510.db2.gz JQBVRBYVIXRYSH-APPDUMDISA-N 1 2 375.270 2.256 20 0 GEADLO O=C1C[C@H](C[N@H+]2CCc3nc[nH]c3[C@H]2c2ccc(Br)cc2)CN1 ZINC000931798355 654757513 /nfs/dbraw/zinc/75/75/13/654757513.db2.gz JQBVRBYVIXRYSH-APPDUMDISA-N 1 2 375.270 2.256 20 0 GEADLO O=S(=O)(CC[N@@H+]1CC[C@H](C2OCCO2)C1)c1cc(Cl)ccc1Cl ZINC000932012137 654764257 /nfs/dbraw/zinc/76/42/57/654764257.db2.gz NHXDQPIIHONMKC-NSHDSACASA-N 1 2 380.293 2.462 20 0 GEADLO O=S(=O)(CC[N@H+]1CC[C@H](C2OCCO2)C1)c1cc(Cl)ccc1Cl ZINC000932012137 654764259 /nfs/dbraw/zinc/76/42/59/654764259.db2.gz NHXDQPIIHONMKC-NSHDSACASA-N 1 2 380.293 2.462 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)[C@H](CO)C1 ZINC000912742766 654766163 /nfs/dbraw/zinc/76/61/63/654766163.db2.gz HWZFRLCSNHIKFS-LBPRGKRZSA-N 1 2 378.885 2.030 20 0 GEADLO C[N@H+]1CCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)[C@H](CO)C1 ZINC000912742766 654766164 /nfs/dbraw/zinc/76/61/64/654766164.db2.gz HWZFRLCSNHIKFS-LBPRGKRZSA-N 1 2 378.885 2.030 20 0 GEADLO C[C@@]1(C2CC[NH+](CCS(=O)(=O)c3ccc(Cl)cc3)CC2)COC(=O)N1 ZINC000932089191 654766552 /nfs/dbraw/zinc/76/65/52/654766552.db2.gz PTEJCGMLYCYRGY-KRWDZBQOSA-N 1 2 386.901 2.324 20 0 GEADLO COCc1noc(C[N@@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)n1 ZINC000932814183 654791780 /nfs/dbraw/zinc/79/17/80/654791780.db2.gz CKRIFAPSLGAWDU-INIZCTEOSA-N 1 2 382.258 2.462 20 0 GEADLO COCc1noc(C[N@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)n1 ZINC000932814183 654791783 /nfs/dbraw/zinc/79/17/83/654791783.db2.gz CKRIFAPSLGAWDU-INIZCTEOSA-N 1 2 382.258 2.462 20 0 GEADLO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913440455 654791986 /nfs/dbraw/zinc/79/19/86/654791986.db2.gz STYTUKIDIWFROY-WCXIOVBPSA-N 1 2 387.281 2.231 20 0 GEADLO O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913440453 654792017 /nfs/dbraw/zinc/79/20/17/654792017.db2.gz STYTUKIDIWFROY-LTIDMASMSA-N 1 2 387.281 2.231 20 0 GEADLO Cc1c(I)cccc1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913446237 654792602 /nfs/dbraw/zinc/79/26/02/654792602.db2.gz CZYNWURRUCPLSG-CQSZACIVSA-N 1 2 396.232 2.109 20 0 GEADLO COc1c(Br)ccc(C)c1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913455511 654792743 /nfs/dbraw/zinc/79/27/43/654792743.db2.gz AVMZQEUUVBLQFE-CQSZACIVSA-N 1 2 393.285 2.286 20 0 GEADLO Cn1cc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c(-c2ccc(Cl)s2)n1 ZINC000913452188 654792881 /nfs/dbraw/zinc/79/28/81/654792881.db2.gz ZBJLHNFXUJATCA-GFCCVEGCSA-N 1 2 376.873 2.312 20 0 GEADLO O=C([C@H]1CCc2cc(Br)ccc21)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913458354 654793435 /nfs/dbraw/zinc/79/34/35/654793435.db2.gz MGBNRRAKJSOTER-JKSUJKDBSA-N 1 2 375.270 2.375 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913462122 654793993 /nfs/dbraw/zinc/79/39/93/654793993.db2.gz XAVYUZOLXMIBLD-LRDDRELGSA-N 1 2 393.285 2.123 20 0 GEADLO C[C@H](C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1)c1ccc(Br)cc1 ZINC000913464076 654794082 /nfs/dbraw/zinc/79/40/82/654794082.db2.gz MFMQCIWKRFSWJM-LRDDRELGSA-N 1 2 377.286 2.459 20 0 GEADLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1)c1ccc(Br)cc1 ZINC000913464077 654794259 /nfs/dbraw/zinc/79/42/59/654794259.db2.gz MFMQCIWKRFSWJM-MLGOLLRUSA-N 1 2 377.286 2.459 20 0 GEADLO Cc1csc(SCc2ccccc2C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)n1 ZINC000913553441 654797625 /nfs/dbraw/zinc/79/76/25/654797625.db2.gz GVVIHDXPDOZLGI-OAHLLOKOSA-N 1 2 377.535 2.492 20 0 GEADLO Cc1csc(SCc2ccccc2C(=O)N2CC[N@H+](C)[C@@H](CO)C2)n1 ZINC000913553441 654797629 /nfs/dbraw/zinc/79/76/29/654797629.db2.gz GVVIHDXPDOZLGI-OAHLLOKOSA-N 1 2 377.535 2.492 20 0 GEADLO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000932962095 654798552 /nfs/dbraw/zinc/79/85/52/654798552.db2.gz IBTNMKAUOPRALN-ZDUSSCGKSA-N 1 2 385.942 2.498 20 0 GEADLO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000932962095 654798556 /nfs/dbraw/zinc/79/85/56/654798556.db2.gz IBTNMKAUOPRALN-ZDUSSCGKSA-N 1 2 385.942 2.498 20 0 GEADLO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000933034604 654800511 /nfs/dbraw/zinc/80/05/11/654800511.db2.gz FWDVFZGTWZMLNJ-CYBMUJFWSA-N 1 2 375.213 2.112 20 0 GEADLO O=S(=O)(c1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)cc1)C(F)F ZINC000933063323 654801454 /nfs/dbraw/zinc/80/14/54/654801454.db2.gz XVIZRXIQMVTMPA-AWEZNQCLSA-N 1 2 375.437 2.189 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(C(F)F)cc2)CC1 ZINC000933108970 654801893 /nfs/dbraw/zinc/80/18/93/654801893.db2.gz JEKRNWPDNUQNSM-UHFFFAOYSA-N 1 2 375.441 2.255 20 0 GEADLO O[C@@H](C[N@@H+]1CCc2cc(F)c(Br)cc2C1)CC1(O)CCOCC1 ZINC000933136288 654803488 /nfs/dbraw/zinc/80/34/88/654803488.db2.gz JUNLDLXUCUXFNT-CQSZACIVSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@@H](C[N@H+]1CCc2cc(F)c(Br)cc2C1)CC1(O)CCOCC1 ZINC000933136288 654803489 /nfs/dbraw/zinc/80/34/89/654803489.db2.gz JUNLDLXUCUXFNT-CQSZACIVSA-N 1 2 388.277 2.239 20 0 GEADLO O=C(N[C@H](CO)Cc1cncs1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000913696137 654804970 /nfs/dbraw/zinc/80/49/70/654804970.db2.gz BRZFJXJUDLNFRM-RDJZCZTQSA-N 1 2 379.913 2.481 20 0 GEADLO O=C(N[C@H](CO)Cc1cncs1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000913696137 654804973 /nfs/dbraw/zinc/80/49/73/654804973.db2.gz BRZFJXJUDLNFRM-RDJZCZTQSA-N 1 2 379.913 2.481 20 0 GEADLO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1nnc(-c2ccc(Br)o2)o1 ZINC000933291970 654806605 /nfs/dbraw/zinc/80/66/05/654806605.db2.gz CFXISIFKTJMJMB-LBPRGKRZSA-N 1 2 383.246 2.487 20 0 GEADLO O=C(NCCSCCC(F)(F)F)c1cccn1CC[NH+]1CCOCC1 ZINC000913755192 654808065 /nfs/dbraw/zinc/80/80/65/654808065.db2.gz NRVGMBDQBMJSNJ-UHFFFAOYSA-N 1 2 379.448 2.236 20 0 GEADLO NS(=O)(=O)c1ccc(C2CC[NH+](Cc3nnc(C4CC4)s3)CC2)cc1 ZINC000933550461 654816656 /nfs/dbraw/zinc/81/66/56/654816656.db2.gz RQEKAHSCPBJWDT-UHFFFAOYSA-N 1 2 378.523 2.443 20 0 GEADLO Cn1cc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(Br)n1 ZINC000913995116 654820825 /nfs/dbraw/zinc/82/08/25/654820825.db2.gz FJVMCJSAXDBMRE-UHFFFAOYSA-N 1 2 393.289 2.177 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CCCS(=O)(=O)C[C@H]1C)c1ccsc1 ZINC000914065696 654824353 /nfs/dbraw/zinc/82/43/53/654824353.db2.gz CIYOKURWKYWUIK-GDBMZVCRSA-N 1 2 387.571 2.350 20 0 GEADLO C[NH+](C)C1(CNS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)CCC1 ZINC000914413156 654852189 /nfs/dbraw/zinc/85/21/89/654852189.db2.gz OTQJPTBAYYKCJE-DEOSSOPVSA-N 1 2 399.460 2.352 20 0 GEADLO CCCCNC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccccc1I ZINC000934828505 654862142 /nfs/dbraw/zinc/86/21/42/654862142.db2.gz AOSYQFJEZPUTJN-BXUZGUMPSA-N 1 2 390.265 2.219 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@@H]2c2cncc(Br)c2)CCO1 ZINC000915826957 654880085 /nfs/dbraw/zinc/88/00/85/654880085.db2.gz GBMPHBAQVYEFHU-XJKSGUPXSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H]2c2cncc(Br)c2)CCO1 ZINC000915826957 654880088 /nfs/dbraw/zinc/88/00/88/654880088.db2.gz GBMPHBAQVYEFHU-XJKSGUPXSA-N 1 2 397.317 2.411 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(Br)cn3ncnc23)C1 ZINC000935680995 654910399 /nfs/dbraw/zinc/91/03/99/654910399.db2.gz AKWNEPWRQZUPIQ-NSHDSACASA-N 1 2 389.257 2.245 20 0 GEADLO COc1cc(Br)cc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000935935364 654928678 /nfs/dbraw/zinc/92/86/78/654928678.db2.gz VQRASMSWZXQUJB-IUODEOHRSA-N 1 2 383.286 2.393 20 0 GEADLO Cc1csc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)c1Cl ZINC000996743260 654949199 /nfs/dbraw/zinc/94/91/99/654949199.db2.gz BJOSBSCUFDPUAI-AGIUHOORSA-N 1 2 378.885 2.468 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(Cl)cs1)C2 ZINC000999584642 654953679 /nfs/dbraw/zinc/95/36/79/654953679.db2.gz MPFNBVOXCWARRX-WOPDTQHZSA-N 1 2 379.873 2.014 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(Cl)cs1)C2 ZINC000999584642 654953682 /nfs/dbraw/zinc/95/36/82/654953682.db2.gz MPFNBVOXCWARRX-WOPDTQHZSA-N 1 2 379.873 2.014 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)ccc3Cl)CC2)C1=O ZINC001164634703 719272714 /nfs/dbraw/zinc/27/27/14/719272714.db2.gz LZQUMQBAXGWGSK-UHFFFAOYSA-N 1 2 387.311 2.148 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)ccc3Cl)CC2)C1=O ZINC001164634703 719272717 /nfs/dbraw/zinc/27/27/17/719272717.db2.gz LZQUMQBAXGWGSK-UHFFFAOYSA-N 1 2 387.311 2.148 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(Cl)cc3SC)CC2)C1=O ZINC001164641218 719278846 /nfs/dbraw/zinc/27/88/46/719278846.db2.gz UVBAQCSBTNLBJG-UHFFFAOYSA-N 1 2 398.960 2.216 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(Cl)cc3SC)CC2)C1=O ZINC001164641218 719278849 /nfs/dbraw/zinc/27/88/49/719278849.db2.gz UVBAQCSBTNLBJG-UHFFFAOYSA-N 1 2 398.960 2.216 20 0 GEADLO COc1cc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc(Cl)n1 ZINC001164676794 719568257 /nfs/dbraw/zinc/56/82/57/719568257.db2.gz PIKUSWHXDXKTKM-UHFFFAOYSA-N 1 2 396.785 2.479 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2)nn1 ZINC001164696941 719844304 /nfs/dbraw/zinc/84/43/04/719844304.db2.gz BHKVYZNGDJNYQT-AVRDEDQJSA-N 1 2 396.491 2.376 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc2cccc(C)c2n1 ZINC001164698736 719851150 /nfs/dbraw/zinc/85/11/50/719851150.db2.gz DJWQEIOLRSCUSI-HRAATJIYSA-N 1 2 384.480 2.171 20 0 GEADLO CCOc1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164703653 719852721 /nfs/dbraw/zinc/85/27/21/719852721.db2.gz QJEXPWNAFRCHHW-AUUYWEPGSA-N 1 2 397.903 2.366 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1[C@@H](F)c1ccnc(Cl)c1 ZINC001164698828 719853784 /nfs/dbraw/zinc/85/37/84/719853784.db2.gz DWQXKXLCZCIPTM-KYJSFNMBSA-N 1 2 385.867 2.431 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(OC(C)(C)C)n1 ZINC001164700505 719858367 /nfs/dbraw/zinc/85/83/67/719858367.db2.gz HPNQFQLGSCKQQM-KKSFZXQISA-N 1 2 391.512 2.492 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccoc21 ZINC001164697807 719861638 /nfs/dbraw/zinc/86/16/38/719861638.db2.gz AXXQTSJJVIPYAB-KPZWWZAWSA-N 1 2 394.859 2.109 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(SC)cc1C ZINC001164707825 719865368 /nfs/dbraw/zinc/86/53/68/719865368.db2.gz VSLKXHZEGOLXJD-HNAYVOBHSA-N 1 2 379.526 2.345 20 0 GEADLO CCCSc1cncc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164708157 719872015 /nfs/dbraw/zinc/87/20/15/719872015.db2.gz XRSBCXKYOMFOAE-KXBFYZLASA-N 1 2 394.541 2.211 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(CSC)cn1 ZINC001164706211 719873185 /nfs/dbraw/zinc/87/31/85/719873185.db2.gz PCPCMPUGHWRVND-QFBILLFUSA-N 1 2 379.526 2.177 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(SC(C)C)nn1 ZINC001164702847 719873347 /nfs/dbraw/zinc/87/33/47/719873347.db2.gz JADZYDNIUFMIDB-HNAYVOBHSA-N 1 2 394.541 2.210 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)cc(C(C)C)n1 ZINC001164703782 719877735 /nfs/dbraw/zinc/87/77/35/719877735.db2.gz UOYDAUFUQZVXFH-JXFKEZNVSA-N 1 2 376.501 2.141 20 0 GEADLO CC(C)Oc1cccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915162 721785640 /nfs/dbraw/zinc/78/56/40/721785640.db2.gz JCQJADSNTWGYLS-JOCHJYFZSA-N 1 2 398.507 2.372 20 0 GEADLO CC(C)Oc1cccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915162 721785643 /nfs/dbraw/zinc/78/56/43/721785643.db2.gz JCQJADSNTWGYLS-JOCHJYFZSA-N 1 2 398.507 2.372 20 0 GEADLO CC(C)c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914823 721789732 /nfs/dbraw/zinc/78/97/32/721789732.db2.gz FYMZGFUWHQOPRZ-NRFANRHFSA-N 1 2 383.496 2.103 20 0 GEADLO CC(C)c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914823 721789737 /nfs/dbraw/zinc/78/97/37/721789737.db2.gz FYMZGFUWHQOPRZ-NRFANRHFSA-N 1 2 383.496 2.103 20 0 GEADLO Cc1cnc2n1CCN(C)C21CCN(c2nc(N3CCCC3)c(C)c[nH+]2)CC1 ZINC001164917496 721811777 /nfs/dbraw/zinc/81/17/77/721811777.db2.gz MFKVJTOZRLJQBV-UHFFFAOYSA-N 1 2 381.528 2.331 20 0 GEADLO COC(=O)c1cc(F)c(C)nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164918394 721815920 /nfs/dbraw/zinc/81/59/20/721815920.db2.gz VQWFLNAMRPJHMT-UHFFFAOYSA-N 1 2 387.459 2.262 20 0 GEADLO CSc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ncn1 ZINC001164944977 721970517 /nfs/dbraw/zinc/97/05/17/721970517.db2.gz LQCHHABIIJPDIB-UHFFFAOYSA-N 1 2 383.521 2.170 20 0 GEADLO CSc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ncn1 ZINC001164944977 721970521 /nfs/dbraw/zinc/97/05/21/721970521.db2.gz LQCHHABIIJPDIB-UHFFFAOYSA-N 1 2 383.521 2.170 20 0 GEADLO COCc1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164943682 721972216 /nfs/dbraw/zinc/97/22/16/721972216.db2.gz BMIOBZJWNYBFDW-UHFFFAOYSA-N 1 2 380.492 2.199 20 0 GEADLO COCc1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164943682 721972218 /nfs/dbraw/zinc/97/22/18/721972218.db2.gz BMIOBZJWNYBFDW-UHFFFAOYSA-N 1 2 380.492 2.199 20 0 GEADLO CCCc1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164947749 721976413 /nfs/dbraw/zinc/97/64/13/721976413.db2.gz SRLLPGHUILKVJE-UHFFFAOYSA-N 1 2 379.508 2.400 20 0 GEADLO CCCc1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164947749 721976416 /nfs/dbraw/zinc/97/64/16/721976416.db2.gz SRLLPGHUILKVJE-UHFFFAOYSA-N 1 2 379.508 2.400 20 0 GEADLO CCOc1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164951411 721980289 /nfs/dbraw/zinc/98/02/89/721980289.db2.gz ZAXBVJQXKPWYSG-UHFFFAOYSA-N 1 2 380.492 2.451 20 0 GEADLO CCOc1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164951411 721980290 /nfs/dbraw/zinc/98/02/90/721980290.db2.gz ZAXBVJQXKPWYSG-UHFFFAOYSA-N 1 2 380.492 2.451 20 0 GEADLO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)[C@H]2COC[C@H]21 ZINC001164957579 722038476 /nfs/dbraw/zinc/03/84/76/722038476.db2.gz AIUREKZDPAWBKO-UXLLHSPISA-N 1 2 388.899 2.438 20 0 GEADLO Cn1cccc1C(=O)N[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)[C@H]2COC[C@H]21 ZINC001164957579 722038478 /nfs/dbraw/zinc/03/84/78/722038478.db2.gz AIUREKZDPAWBKO-UXLLHSPISA-N 1 2 388.899 2.438 20 0 GEADLO O=C(Cc1cccc(Br)c1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000521330057 531243645 /nfs/dbraw/zinc/24/36/45/531243645.db2.gz AVIXMCOPLZMJMC-UHFFFAOYSA-N 1 2 393.285 2.159 20 0 GEADLO C[C@H](CNC(=O)Cc1ccccc1I)Cn1cc[nH+]c1 ZINC000152035205 531528869 /nfs/dbraw/zinc/52/88/69/531528869.db2.gz OLJNWQFFPTZARQ-GFCCVEGCSA-N 1 2 383.233 2.483 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](C)CC(=O)NC(C)(C)C)c1ccc(Br)cc1 ZINC000007660219 531541334 /nfs/dbraw/zinc/54/13/34/531541334.db2.gz XOGYCQDRVQRZLN-GFCCVEGCSA-N 1 2 384.318 2.473 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](C)CC(=O)NC(C)(C)C)c1ccc(Br)cc1 ZINC000007660219 531541342 /nfs/dbraw/zinc/54/13/42/531541342.db2.gz XOGYCQDRVQRZLN-GFCCVEGCSA-N 1 2 384.318 2.473 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)C[C@@H]21 ZINC000152629343 531562192 /nfs/dbraw/zinc/56/21/92/531562192.db2.gz MVRJWOIKDYHTDA-HOTGVXAUSA-N 1 2 381.263 2.334 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)C[C@@H]21 ZINC000152629343 531562206 /nfs/dbraw/zinc/56/22/06/531562206.db2.gz MVRJWOIKDYHTDA-HOTGVXAUSA-N 1 2 381.263 2.334 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(CNc2[nH+]cnc3c2cnn3C)s1 ZINC000014304626 531563530 /nfs/dbraw/zinc/56/35/30/531563530.db2.gz GQOKFVWAAWJTLG-UHFFFAOYSA-N 1 2 380.499 2.067 20 0 GEADLO O=C(CNC(=O)c1cccs1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000018017561 531575127 /nfs/dbraw/zinc/57/51/27/531575127.db2.gz HANFGUJCUJPDTL-UHFFFAOYSA-N 1 2 377.897 2.476 20 0 GEADLO COCC[N@H+](Cc1cccc(Br)c1OC(F)F)[C@@H](C)C(N)=O ZINC000153057225 531586599 /nfs/dbraw/zinc/58/65/99/531586599.db2.gz XMILLLDZLNJIBL-VIFPVBQESA-N 1 2 381.217 2.373 20 0 GEADLO COCC[N@@H+](Cc1cccc(Br)c1OC(F)F)[C@@H](C)C(N)=O ZINC000153057225 531586608 /nfs/dbraw/zinc/58/66/08/531586608.db2.gz XMILLLDZLNJIBL-VIFPVBQESA-N 1 2 381.217 2.373 20 0 GEADLO CNC(=O)c1cccc(NC(=O)NCc2ccc(N)[nH+]c2)c1Br ZINC000494302526 531594485 /nfs/dbraw/zinc/59/44/85/531594485.db2.gz ZGUQGHITMVTBPU-UHFFFAOYSA-N 1 2 378.230 2.108 20 0 GEADLO Brc1cc2c(c(C[NH+]3CCN(c4cccnn4)CC3)c1)OCC2 ZINC000153822929 531610638 /nfs/dbraw/zinc/61/06/38/531610638.db2.gz CHKFCBBUQAIDBT-UHFFFAOYSA-N 1 2 375.270 2.496 20 0 GEADLO CCNC(=O)N1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000153798152 531610804 /nfs/dbraw/zinc/61/08/04/531610804.db2.gz JPYCTOLQEBJVJI-CYBMUJFWSA-N 1 2 376.284 2.080 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000026174051 531617446 /nfs/dbraw/zinc/61/74/46/531617446.db2.gz AIRMFZPAFYFEPW-CQSZACIVSA-N 1 2 391.331 2.361 20 0 GEADLO COc1ccc(Br)cc1C[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000026174051 531617455 /nfs/dbraw/zinc/61/74/55/531617455.db2.gz AIRMFZPAFYFEPW-CQSZACIVSA-N 1 2 391.331 2.361 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000154047180 531618726 /nfs/dbraw/zinc/61/87/26/531618726.db2.gz RGWCNUSRWUMYIV-GOEBONIOSA-N 1 2 394.313 2.214 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000154047180 531618738 /nfs/dbraw/zinc/61/87/38/531618738.db2.gz RGWCNUSRWUMYIV-GOEBONIOSA-N 1 2 394.313 2.214 20 0 GEADLO CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1OC ZINC000154058204 531619896 /nfs/dbraw/zinc/61/98/96/531619896.db2.gz SIULQBBNSIXISA-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1OC ZINC000154058204 531619903 /nfs/dbraw/zinc/61/99/03/531619903.db2.gz SIULQBBNSIXISA-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO CCn1c(S[C@H](C)C(=O)N2CC[NH+](CC)CC2)nc2ccsc2c1=O ZINC000027824969 531628019 /nfs/dbraw/zinc/62/80/19/531628019.db2.gz GLOUZDMUZAYQRZ-GFCCVEGCSA-N 1 2 380.539 2.123 20 0 GEADLO O=S(=O)(NCc1ccc(N2CCCC2)[nH+]c1)c1cccc2nsnc21 ZINC000028040956 531629573 /nfs/dbraw/zinc/62/95/73/531629573.db2.gz GLOFOBHDTNWNGY-UHFFFAOYSA-N 1 2 375.479 2.165 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000030337535 531634484 /nfs/dbraw/zinc/63/44/84/531634484.db2.gz XMCKDHMDCQYALD-UPJWGTAASA-N 1 2 376.906 2.125 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000030337535 531634495 /nfs/dbraw/zinc/63/44/95/531634495.db2.gz XMCKDHMDCQYALD-UPJWGTAASA-N 1 2 376.906 2.125 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000154938938 531644244 /nfs/dbraw/zinc/64/42/44/531644244.db2.gz LHBZUHLKGUKDMO-LBPRGKRZSA-N 1 2 387.311 2.101 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000042533085 531669382 /nfs/dbraw/zinc/66/93/82/531669382.db2.gz FKQOUBVNOQGLKN-GFCCVEGCSA-N 1 2 376.873 2.414 20 0 GEADLO Cc1sc(Br)cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000155234334 531666544 /nfs/dbraw/zinc/66/65/44/531666544.db2.gz XPSMZFUHHIKUJR-SNVBAGLBSA-N 1 2 397.360 2.066 20 0 GEADLO CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000041638739 531666877 /nfs/dbraw/zinc/66/68/77/531666877.db2.gz KBSXMUCLRYSPFB-UHFFFAOYSA-N 1 2 377.242 2.165 20 0 GEADLO Cc1csc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCN(C)CC2)n1 ZINC000043229156 531680454 /nfs/dbraw/zinc/68/04/54/531680454.db2.gz AFPYWXMQJNBQGZ-AWEZNQCLSA-N 1 2 379.555 2.301 20 0 GEADLO O=S1(=O)CCN(C2CC[NH+](CCOc3ccc(F)cc3Cl)CC2)CC1 ZINC000155907588 531705089 /nfs/dbraw/zinc/70/50/89/531705089.db2.gz RLBVUPXYPZBQTL-UHFFFAOYSA-N 1 2 390.908 2.053 20 0 GEADLO C[C@H]1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000156259001 531725234 /nfs/dbraw/zinc/72/52/34/531725234.db2.gz KFGLAXRIWKRTSH-SMDDNHRTSA-N 1 2 394.273 2.459 20 0 GEADLO Cn1cc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc(Br)c1=O ZINC000156263663 531725453 /nfs/dbraw/zinc/72/54/53/531725453.db2.gz GLCLZJQOENKMAP-UHFFFAOYSA-N 1 2 394.273 2.045 20 0 GEADLO CCOC(=O)CCCNC(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000047751147 531719932 /nfs/dbraw/zinc/71/99/32/531719932.db2.gz ZAWMFTITCFVXJB-UHFFFAOYSA-N 1 2 377.304 2.402 20 0 GEADLO CCOC(=O)CCCNC(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000047751147 531719935 /nfs/dbraw/zinc/71/99/35/531719935.db2.gz ZAWMFTITCFVXJB-UHFFFAOYSA-N 1 2 377.304 2.402 20 0 GEADLO CC(C)C(=O)NCC[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000157349060 531740707 /nfs/dbraw/zinc/74/07/07/531740707.db2.gz IEECWNGCMTVYJZ-UHFFFAOYSA-N 1 2 384.318 2.112 20 0 GEADLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000157349060 531740711 /nfs/dbraw/zinc/74/07/11/531740711.db2.gz IEECWNGCMTVYJZ-UHFFFAOYSA-N 1 2 384.318 2.112 20 0 GEADLO C[C@H](NC(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1)C(=O)N(C)C ZINC000051423971 531742961 /nfs/dbraw/zinc/74/29/61/531742961.db2.gz DNLSMWVIOZDJMD-LBPRGKRZSA-N 1 2 382.302 2.006 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1)C(=O)N(C)C ZINC000051423971 531742965 /nfs/dbraw/zinc/74/29/65/531742965.db2.gz DNLSMWVIOZDJMD-LBPRGKRZSA-N 1 2 382.302 2.006 20 0 GEADLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000157494577 531744290 /nfs/dbraw/zinc/74/42/90/531744290.db2.gz LGINJQNRFZWXML-TZMCWYRMSA-N 1 2 375.296 2.424 20 0 GEADLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000157494577 531744299 /nfs/dbraw/zinc/74/42/99/531744299.db2.gz LGINJQNRFZWXML-TZMCWYRMSA-N 1 2 375.296 2.424 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000053217654 531759137 /nfs/dbraw/zinc/75/91/37/531759137.db2.gz RBWRPQKKMAJPNN-OAHLLOKOSA-N 1 2 387.933 2.381 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000053217654 531759145 /nfs/dbraw/zinc/75/91/45/531759145.db2.gz RBWRPQKKMAJPNN-OAHLLOKOSA-N 1 2 387.933 2.381 20 0 GEADLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1csc2ccccc12 ZINC000052805957 531750227 /nfs/dbraw/zinc/75/02/27/531750227.db2.gz ZWGFVRRVJDGNFP-UKRRQHHQSA-N 1 2 380.535 2.367 20 0 GEADLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1csc2ccccc12 ZINC000052805957 531750233 /nfs/dbraw/zinc/75/02/33/531750233.db2.gz ZWGFVRRVJDGNFP-UKRRQHHQSA-N 1 2 380.535 2.367 20 0 GEADLO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1csc2ccccc12 ZINC000052805958 531751453 /nfs/dbraw/zinc/75/14/53/531751453.db2.gz ZWGFVRRVJDGNFP-ZFWWWQNUSA-N 1 2 380.535 2.367 20 0 GEADLO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1csc2ccccc12 ZINC000052805958 531751463 /nfs/dbraw/zinc/75/14/63/531751463.db2.gz ZWGFVRRVJDGNFP-ZFWWWQNUSA-N 1 2 380.535 2.367 20 0 GEADLO CCCSCC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](CC)CC2)c1 ZINC000055036409 531780942 /nfs/dbraw/zinc/78/09/42/531780942.db2.gz RUNARLSYODBKOY-UHFFFAOYSA-N 1 2 385.555 2.095 20 0 GEADLO COc1ccc(-c2nc(C[NH+]3CCC(NS(C)(=O)=O)CC3)cs2)cc1 ZINC000054146502 531774430 /nfs/dbraw/zinc/77/44/30/531774430.db2.gz INNOYOQMKGAAFR-UHFFFAOYSA-N 1 2 381.523 2.332 20 0 GEADLO Cn1ncc2c1nc(CN1CC[NH+](Cc3ccc(Cl)s3)CC1)[nH]c2=O ZINC000054417765 531778196 /nfs/dbraw/zinc/77/81/96/531778196.db2.gz VKLRTVFWNGSWOA-UHFFFAOYSA-N 1 2 378.889 2.102 20 0 GEADLO O=C(CNC(=O)NCCCCn1cc[nH+]c1)Nc1ccc(Br)cc1 ZINC000057373063 531819302 /nfs/dbraw/zinc/81/93/02/531819302.db2.gz KNYOWNOCPNUZEP-UHFFFAOYSA-N 1 2 394.273 2.364 20 0 GEADLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000061399235 531853246 /nfs/dbraw/zinc/85/32/46/531853246.db2.gz PTOCLTWLEDONDL-UHFFFAOYSA-N 1 2 382.873 2.103 20 0 GEADLO C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1nc(-c2ccc(Br)cc2)no1 ZINC000162311908 531842269 /nfs/dbraw/zinc/84/22/69/531842269.db2.gz RWLAEOIWGZUHPU-ZWNOBZJWSA-N 1 2 395.257 2.007 20 0 GEADLO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1nc(-c2ccc(Br)cc2)no1 ZINC000162311908 531842275 /nfs/dbraw/zinc/84/22/75/531842275.db2.gz RWLAEOIWGZUHPU-ZWNOBZJWSA-N 1 2 395.257 2.007 20 0 GEADLO O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000060423450 531843211 /nfs/dbraw/zinc/84/32/11/531843211.db2.gz GHRMQTIUTWVSMD-UHFFFAOYSA-N 1 2 388.280 2.241 20 0 GEADLO COC(=O)c1sc2[nH]c(CSc3nc(N)cc(C)[nH+]3)nc(=O)c2c1C ZINC000060765725 531846902 /nfs/dbraw/zinc/84/69/02/531846902.db2.gz LNNLXZOVKJVQRJ-UHFFFAOYSA-N 1 2 377.451 2.053 20 0 GEADLO CCCN(C)C(=O)c1cc(S(=O)(=O)N2CC[NH+](CC)CC2)ccc1Cl ZINC000063602509 531859473 /nfs/dbraw/zinc/85/94/73/531859473.db2.gz QSIXFKGJQLIAPY-UHFFFAOYSA-N 1 2 387.933 2.148 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Sc2ccccc2Cl)CC1 ZINC000063770241 531860980 /nfs/dbraw/zinc/86/09/80/531860980.db2.gz RKCQTYSLBLPCER-AWEZNQCLSA-N 1 2 383.945 2.491 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Sc2ccccc2Cl)CC1 ZINC000063770241 531860986 /nfs/dbraw/zinc/86/09/86/531860986.db2.gz RKCQTYSLBLPCER-AWEZNQCLSA-N 1 2 383.945 2.491 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCSc2ccccc2Cl)CC1 ZINC000063770832 531861797 /nfs/dbraw/zinc/86/17/97/531861797.db2.gz LVPRDUBTZUPDAG-UHFFFAOYSA-N 1 2 383.945 2.493 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCSc2ccccc2Cl)CC1 ZINC000063770832 531861801 /nfs/dbraw/zinc/86/18/01/531861801.db2.gz LVPRDUBTZUPDAG-UHFFFAOYSA-N 1 2 383.945 2.493 20 0 GEADLO CSc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)cc1 ZINC000067117811 531876654 /nfs/dbraw/zinc/87/66/54/531876654.db2.gz HNKFYIKAMIIFKE-MRXNPFEDSA-N 1 2 379.551 2.387 20 0 GEADLO CSc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)cc1 ZINC000067117811 531876658 /nfs/dbraw/zinc/87/66/58/531876658.db2.gz HNKFYIKAMIIFKE-MRXNPFEDSA-N 1 2 379.551 2.387 20 0 GEADLO O[C@@H](CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)C[NH+]1CCOCC1 ZINC000067228229 531878127 /nfs/dbraw/zinc/87/81/27/531878127.db2.gz AYOQOUYKKOHTPV-RHSMWYFYSA-N 1 2 375.296 2.060 20 0 GEADLO Cc1c(Br)cccc1NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000171224515 531898521 /nfs/dbraw/zinc/89/85/21/531898521.db2.gz FMLFSLGNMSXBIU-UHFFFAOYSA-N 1 2 391.269 2.473 20 0 GEADLO CC(C)NC(=O)NCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000170687696 531887798 /nfs/dbraw/zinc/88/77/98/531887798.db2.gz VWJASTXLILUQFL-UHFFFAOYSA-N 1 2 383.334 2.274 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCc1sccc1Br)[NH+]1CCOCC1 ZINC000171669194 531909675 /nfs/dbraw/zinc/90/96/75/531909675.db2.gz FDFIPMNPOWCTBK-WDEREUQCSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2c(Br)cccc2C1 ZINC000171750417 531914380 /nfs/dbraw/zinc/91/43/80/531914380.db2.gz HEZFOWBZJFZMDD-AWEZNQCLSA-N 1 2 395.345 2.153 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1ccc(Br)s1 ZINC000171749790 531913969 /nfs/dbraw/zinc/91/39/69/531913969.db2.gz IRHXMJOYDNDXHO-LBPRGKRZSA-N 1 2 389.363 2.288 20 0 GEADLO C[C@H]([C@H](C)[N@H+](C)Cc1cc2c(c(Br)c1)OCO2)S(C)(=O)=O ZINC000172073347 531932701 /nfs/dbraw/zinc/93/27/01/531932701.db2.gz GYWMJWQWKCBNHX-VHSXEESVSA-N 1 2 378.288 2.431 20 0 GEADLO C[C@H]([C@H](C)[N@@H+](C)Cc1cc2c(c(Br)c1)OCO2)S(C)(=O)=O ZINC000172073347 531932705 /nfs/dbraw/zinc/93/27/05/531932705.db2.gz GYWMJWQWKCBNHX-VHSXEESVSA-N 1 2 378.288 2.431 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000626509535 531933964 /nfs/dbraw/zinc/93/39/64/531933964.db2.gz OGWYNQFDENTSJD-SECBINFHSA-N 1 2 385.852 2.450 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000626509535 531933967 /nfs/dbraw/zinc/93/39/67/531933967.db2.gz OGWYNQFDENTSJD-SECBINFHSA-N 1 2 385.852 2.450 20 0 GEADLO Cc1ccc(OCc2nc(C[NH2+]CCS(=O)(=O)NC(C)C)cs2)cc1 ZINC000172119310 531934512 /nfs/dbraw/zinc/93/45/12/531934512.db2.gz HXJOLSUXCIAIJL-UHFFFAOYSA-N 1 2 383.539 2.448 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](OCCO)C1)Nc1ccc(Br)cc1F ZINC000172302538 531946404 /nfs/dbraw/zinc/94/64/04/531946404.db2.gz MRMKXNUJBKMYBE-LBPRGKRZSA-N 1 2 375.238 2.000 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](OCCO)C1)Nc1ccc(Br)cc1F ZINC000172302538 531946407 /nfs/dbraw/zinc/94/64/07/531946407.db2.gz MRMKXNUJBKMYBE-LBPRGKRZSA-N 1 2 375.238 2.000 20 0 GEADLO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(Br)cn3)CC2)cn1 ZINC000172534839 531957832 /nfs/dbraw/zinc/95/78/32/531957832.db2.gz FFFJBWMICOSEPC-UHFFFAOYSA-N 1 2 392.301 2.220 20 0 GEADLO COCCCNC(=O)C[N@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000117874834 531961707 /nfs/dbraw/zinc/96/17/07/531961707.db2.gz ZIWJFHNYSXXYRC-QHCPKHFHSA-N 1 2 381.325 2.186 20 0 GEADLO COCCCNC(=O)C[N@@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000117874834 531961714 /nfs/dbraw/zinc/96/17/14/531961714.db2.gz ZIWJFHNYSXXYRC-QHCPKHFHSA-N 1 2 381.325 2.186 20 0 GEADLO CNC(=O)c1cccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)c1 ZINC000113931748 531952448 /nfs/dbraw/zinc/95/24/48/531952448.db2.gz DTHINPUWAYYJHU-UHFFFAOYSA-N 1 2 391.269 2.274 20 0 GEADLO CNC(=O)c1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)c1 ZINC000113931748 531952450 /nfs/dbraw/zinc/95/24/50/531952450.db2.gz DTHINPUWAYYJHU-UHFFFAOYSA-N 1 2 391.269 2.274 20 0 GEADLO COc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000119780677 531972721 /nfs/dbraw/zinc/97/27/21/531972721.db2.gz NFIGQEZQFBQLME-UHFFFAOYSA-N 1 2 395.257 2.097 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000173179867 531992314 /nfs/dbraw/zinc/99/23/14/531992314.db2.gz ZUCPUTDDEJUGRU-UHFFFAOYSA-N 1 2 380.436 2.114 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000173179867 531992323 /nfs/dbraw/zinc/99/23/23/531992323.db2.gz ZUCPUTDDEJUGRU-UHFFFAOYSA-N 1 2 380.436 2.114 20 0 GEADLO C[C@@H](NC(=O)NCCc1nc(C(F)(F)F)cs1)[C@H](C)[NH+]1CCOCC1 ZINC000173189866 531994712 /nfs/dbraw/zinc/99/47/12/531994712.db2.gz OUKOIRVWXJIKCS-MNOVXSKESA-N 1 2 380.436 2.113 20 0 GEADLO C[C@H](O)[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000120795287 531996832 /nfs/dbraw/zinc/99/68/32/531996832.db2.gz NDXGGTUTXVXHAV-STQMWFEESA-N 1 2 376.316 2.316 20 0 GEADLO C[C@H](O)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000120795287 531996840 /nfs/dbraw/zinc/99/68/40/531996840.db2.gz NDXGGTUTXVXHAV-STQMWFEESA-N 1 2 376.316 2.316 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173542053 532018304 /nfs/dbraw/zinc/01/83/04/532018304.db2.gz LNRBQAJDUIZCDJ-ZDUSSCGKSA-N 1 2 378.416 2.048 20 0 GEADLO C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000173584920 532021359 /nfs/dbraw/zinc/02/13/59/532021359.db2.gz KBYAMUDUXKLZGO-CJNGLKHVSA-N 1 2 387.343 2.315 20 0 GEADLO COc1cc(Br)c(CN2CC[C@H]([NH+]3CCOCC3)C2)cc1OC ZINC000173907932 532041982 /nfs/dbraw/zinc/04/19/82/532041982.db2.gz QIKWZGPFSQNULV-AWEZNQCLSA-N 1 2 385.302 2.373 20 0 GEADLO CCc1nsc(N2CCC[N@H+](CC(=O)NCc3sccc3C)CC2)n1 ZINC000174045811 532047691 /nfs/dbraw/zinc/04/76/91/532047691.db2.gz QKCDTQJTUQRNAY-UHFFFAOYSA-N 1 2 379.555 2.299 20 0 GEADLO CCc1nsc(N2CCC[N@@H+](CC(=O)NCc3sccc3C)CC2)n1 ZINC000174045811 532047694 /nfs/dbraw/zinc/04/76/94/532047694.db2.gz QKCDTQJTUQRNAY-UHFFFAOYSA-N 1 2 379.555 2.299 20 0 GEADLO CNC(=O)C(C)(C)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000122083236 532057054 /nfs/dbraw/zinc/05/70/54/532057054.db2.gz TZWRRJWCGWNZTR-OAHLLOKOSA-N 1 2 396.329 2.474 20 0 GEADLO O=C(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)N1CCC[C@@H]1c1cccs1 ZINC000122154814 532059999 /nfs/dbraw/zinc/05/99/99/532059999.db2.gz UPDZJCQWEQXOHS-QWHCGFSZSA-N 1 2 380.432 2.019 20 0 GEADLO O=C(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)N1CCC[C@@H]1c1cccs1 ZINC000122154814 532060003 /nfs/dbraw/zinc/06/00/03/532060003.db2.gz UPDZJCQWEQXOHS-QWHCGFSZSA-N 1 2 380.432 2.019 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000174380012 532062701 /nfs/dbraw/zinc/06/27/01/532062701.db2.gz DNQGCLMJYBNTMH-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000122558948 532075094 /nfs/dbraw/zinc/07/50/94/532075094.db2.gz XDJJGKSFIPDENU-ZIAGYGMSSA-N 1 2 376.881 2.152 20 0 GEADLO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000122558948 532075098 /nfs/dbraw/zinc/07/50/98/532075098.db2.gz XDJJGKSFIPDENU-ZIAGYGMSSA-N 1 2 376.881 2.152 20 0 GEADLO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000174759310 532077267 /nfs/dbraw/zinc/07/72/67/532077267.db2.gz LPPLBSALZPHUQE-CYBMUJFWSA-N 1 2 381.523 2.433 20 0 GEADLO CN(Cc1ccc(Cl)nc1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000122953220 532087595 /nfs/dbraw/zinc/08/75/95/532087595.db2.gz ISBDEBJSIADOEY-QGZVFWFLSA-N 1 2 384.933 2.084 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)CCOC(C)C)CC2)cs1 ZINC000175112536 532090489 /nfs/dbraw/zinc/09/04/89/532090489.db2.gz VABWRGHFRHNTNP-UHFFFAOYSA-N 1 2 389.587 2.262 20 0 GEADLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000175154614 532091297 /nfs/dbraw/zinc/09/12/97/532091297.db2.gz VELUGULYAPRTNP-AWEZNQCLSA-N 1 2 396.329 2.462 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000123229293 532096709 /nfs/dbraw/zinc/09/67/09/532096709.db2.gz HUOPUYPMIVWBQM-NSHDSACASA-N 1 2 398.859 2.019 20 0 GEADLO CC1(C)CN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC[NH2+]1 ZINC000175441461 532103417 /nfs/dbraw/zinc/10/34/17/532103417.db2.gz FEXWLMQQKWFHAL-UHFFFAOYSA-N 1 2 379.507 2.373 20 0 GEADLO CCn1cc[nH+]c1CNc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000123617802 532103529 /nfs/dbraw/zinc/10/35/29/532103529.db2.gz NSKQHNQLPGKGAH-UHFFFAOYSA-N 1 2 384.889 2.189 20 0 GEADLO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)S(C)(=O)=O ZINC000123939848 532110481 /nfs/dbraw/zinc/11/04/81/532110481.db2.gz BBHJNHOESGBCRC-ITDIGPHOSA-N 1 2 376.881 2.021 20 0 GEADLO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)S(C)(=O)=O ZINC000123939848 532110485 /nfs/dbraw/zinc/11/04/85/532110485.db2.gz BBHJNHOESGBCRC-ITDIGPHOSA-N 1 2 376.881 2.021 20 0 GEADLO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)S(C)(=O)=O ZINC000123940052 532110640 /nfs/dbraw/zinc/11/06/40/532110640.db2.gz BBHJNHOESGBCRC-IFUGULHKSA-N 1 2 376.881 2.021 20 0 GEADLO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)S(C)(=O)=O ZINC000123940052 532110642 /nfs/dbraw/zinc/11/06/42/532110642.db2.gz BBHJNHOESGBCRC-IFUGULHKSA-N 1 2 376.881 2.021 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000175661491 532111399 /nfs/dbraw/zinc/11/13/99/532111399.db2.gz RONRSQNCNBARGC-UHFFFAOYSA-N 1 2 385.239 2.440 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000124346918 532119439 /nfs/dbraw/zinc/11/94/39/532119439.db2.gz ZCKVIVHUGINCQH-UHFFFAOYSA-N 1 2 379.463 2.012 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(Br)cc1-n1cncn1 ZINC000123960002 532112223 /nfs/dbraw/zinc/11/22/23/532112223.db2.gz DOJWWBDPXAPZQJ-UHFFFAOYSA-N 1 2 375.230 2.036 20 0 GEADLO C[C@@H](CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)Cc1cccs1 ZINC000175806538 532115306 /nfs/dbraw/zinc/11/53/06/532115306.db2.gz KBJGRXVINAEVHG-QAPCUYQASA-N 1 2 383.583 2.434 20 0 GEADLO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CS(=O)(=O)C(C)C)CC1 ZINC000127536091 532155114 /nfs/dbraw/zinc/15/51/14/532155114.db2.gz NNHCPARPGFZIFC-UHFFFAOYSA-N 1 2 387.933 2.244 20 0 GEADLO O=C(C[S@](=O)Cc1cn2cc(Br)ccc2[nH+]1)NCC(F)(F)F ZINC000176555986 532141158 /nfs/dbraw/zinc/14/11/58/532141158.db2.gz RGNOMVTTXJDQIY-JOCHJYFZSA-N 1 2 398.204 2.024 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000176583442 532141471 /nfs/dbraw/zinc/14/14/71/532141471.db2.gz VQFIDQPDLKQLPK-NWANDNLSSA-N 1 2 387.307 2.248 20 0 GEADLO O=C(NCC1(O)CCOCC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000176671035 532144707 /nfs/dbraw/zinc/14/47/07/532144707.db2.gz LGXHTOMLZMLLEZ-INIZCTEOSA-N 1 2 397.313 2.244 20 0 GEADLO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000177214589 532164899 /nfs/dbraw/zinc/16/48/99/532164899.db2.gz ZBGQKWBCFHQOFX-KBPBESRZSA-N 1 2 378.567 2.130 20 0 GEADLO C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000177214589 532164901 /nfs/dbraw/zinc/16/49/01/532164901.db2.gz ZBGQKWBCFHQOFX-KBPBESRZSA-N 1 2 378.567 2.130 20 0 GEADLO O=C(C[NH+]1CCC(OC[C@H]2CCCO2)CC1)Nc1ccc(Br)cn1 ZINC000177450254 532171385 /nfs/dbraw/zinc/17/13/85/532171385.db2.gz JYXIKHQFPYKKMK-OAHLLOKOSA-N 1 2 398.301 2.443 20 0 GEADLO Brc1ccc2[nH+]c(CSc3nnc(Cn4cncn4)o3)cn2c1 ZINC000129261751 532176068 /nfs/dbraw/zinc/17/60/68/532176068.db2.gz PYEUUAIWSYKQSG-UHFFFAOYSA-N 1 2 392.242 2.412 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000178129197 532193558 /nfs/dbraw/zinc/19/35/58/532193558.db2.gz RCTUCASWMCPLLS-UHFFFAOYSA-N 1 2 384.889 2.042 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C)c1ccsc1 ZINC000131462726 532197491 /nfs/dbraw/zinc/19/74/91/532197491.db2.gz BHVPURGVMATEBO-LZWOXQAQSA-N 1 2 387.571 2.348 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000131569467 532199882 /nfs/dbraw/zinc/19/98/82/532199882.db2.gz JOVSSYFDQLJMHG-UHFFFAOYSA-N 1 2 390.933 2.110 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000131569467 532199885 /nfs/dbraw/zinc/19/98/85/532199885.db2.gz JOVSSYFDQLJMHG-UHFFFAOYSA-N 1 2 390.933 2.110 20 0 GEADLO Cc1cc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)ccc1Br ZINC000129903164 532186175 /nfs/dbraw/zinc/18/61/75/532186175.db2.gz MCJUCSGBYIMEPR-UHFFFAOYSA-N 1 2 379.258 2.441 20 0 GEADLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000178617829 532207478 /nfs/dbraw/zinc/20/74/78/532207478.db2.gz AFMNRPDVAZLVBT-UHFFFAOYSA-N 1 2 380.901 2.132 20 0 GEADLO O=C(CCCSc1ccc(Br)cc1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178646537 532207819 /nfs/dbraw/zinc/20/78/19/532207819.db2.gz DRVMYHMHMBZZSK-HNNXBMFYSA-N 1 2 398.370 2.437 20 0 GEADLO COc1ccc(Br)c(CC(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000178453116 532202206 /nfs/dbraw/zinc/20/22/06/532202206.db2.gz YRDKVCHKTVUJIO-UHFFFAOYSA-N 1 2 385.302 2.227 20 0 GEADLO COc1ccc(Br)c(CC(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000178453116 532202210 /nfs/dbraw/zinc/20/22/10/532202210.db2.gz YRDKVCHKTVUJIO-UHFFFAOYSA-N 1 2 385.302 2.227 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000179323624 532228158 /nfs/dbraw/zinc/22/81/58/532228158.db2.gz UUJOQHQPCAKHOS-CQSZACIVSA-N 1 2 383.286 2.152 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000179323624 532228162 /nfs/dbraw/zinc/22/81/62/532228162.db2.gz UUJOQHQPCAKHOS-CQSZACIVSA-N 1 2 383.286 2.152 20 0 GEADLO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133175109 532228861 /nfs/dbraw/zinc/22/88/61/532228861.db2.gz UUOOPRJUIIZNGQ-HNNXBMFYSA-N 1 2 390.933 2.139 20 0 GEADLO COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133175109 532228866 /nfs/dbraw/zinc/22/88/66/532228866.db2.gz UUOOPRJUIIZNGQ-HNNXBMFYSA-N 1 2 390.933 2.139 20 0 GEADLO Cc1cc(Br)ccc1S(=O)(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000133317219 532231348 /nfs/dbraw/zinc/23/13/48/532231348.db2.gz HOFQJYYXGOQDIO-OLZOCXBDSA-N 1 2 391.331 2.145 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000134328080 532253989 /nfs/dbraw/zinc/25/39/89/532253989.db2.gz VUOZFVXNRJDRNV-AWEZNQCLSA-N 1 2 384.889 2.292 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000134328080 532253991 /nfs/dbraw/zinc/25/39/91/532253991.db2.gz VUOZFVXNRJDRNV-AWEZNQCLSA-N 1 2 384.889 2.292 20 0 GEADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000179970074 532251480 /nfs/dbraw/zinc/25/14/80/532251480.db2.gz NYGMBTSMTJWPSS-UHFFFAOYSA-N 1 2 380.900 2.415 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000134328019 532253582 /nfs/dbraw/zinc/25/35/82/532253582.db2.gz UNNIICKBAYCYIC-LBPRGKRZSA-N 1 2 384.889 2.292 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000134328019 532253584 /nfs/dbraw/zinc/25/35/84/532253584.db2.gz UNNIICKBAYCYIC-LBPRGKRZSA-N 1 2 384.889 2.292 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000179586827 532237315 /nfs/dbraw/zinc/23/73/15/532237315.db2.gz KQSZBKITSUYDRK-UHFFFAOYSA-N 1 2 379.463 2.253 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(F)c(Cl)nc2Cl)[C@@H](C)C1 ZINC000180386035 532270883 /nfs/dbraw/zinc/27/08/83/532270883.db2.gz BCPBBEDCVRQWPR-VIFPVBQESA-N 1 2 378.231 2.237 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(F)c(Cl)nc2Cl)[C@@H](C)C1 ZINC000180386035 532270887 /nfs/dbraw/zinc/27/08/87/532270887.db2.gz BCPBBEDCVRQWPR-VIFPVBQESA-N 1 2 378.231 2.237 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134329874 532254691 /nfs/dbraw/zinc/25/46/91/532254691.db2.gz DIJHFZWVLRYNEF-AWEZNQCLSA-N 1 2 391.331 2.360 20 0 GEADLO COc1ccc(Br)cc1C[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134329874 532254695 /nfs/dbraw/zinc/25/46/95/532254695.db2.gz DIJHFZWVLRYNEF-AWEZNQCLSA-N 1 2 391.331 2.360 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000134337668 532255378 /nfs/dbraw/zinc/25/53/78/532255378.db2.gz HLYIILAQBFCMCD-CYBMUJFWSA-N 1 2 379.295 2.490 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000134337668 532255380 /nfs/dbraw/zinc/25/53/80/532255380.db2.gz HLYIILAQBFCMCD-CYBMUJFWSA-N 1 2 379.295 2.490 20 0 GEADLO Cc1nc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)sc1Br ZINC000180110106 532258360 /nfs/dbraw/zinc/25/83/60/532258360.db2.gz SFOKNEQHDZRVLZ-UHFFFAOYSA-N 1 2 387.284 2.340 20 0 GEADLO CCOCCOc1ccc(Br)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000180307591 532267176 /nfs/dbraw/zinc/26/71/76/532267176.db2.gz NIZPAQKIVHPMDG-OAHLLOKOSA-N 1 2 387.274 2.134 20 0 GEADLO CCOCCOc1ccc(Br)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000180307591 532267180 /nfs/dbraw/zinc/26/71/80/532267180.db2.gz NIZPAQKIVHPMDG-OAHLLOKOSA-N 1 2 387.274 2.134 20 0 GEADLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccnn1Cc1cccs1 ZINC000135514752 532275086 /nfs/dbraw/zinc/27/50/86/532275086.db2.gz FFWFTXUFBNBRJB-LSDHHAIUSA-N 1 2 378.523 2.138 20 0 GEADLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccnn1Cc1cccs1 ZINC000135514752 532275090 /nfs/dbraw/zinc/27/50/90/532275090.db2.gz FFWFTXUFBNBRJB-LSDHHAIUSA-N 1 2 378.523 2.138 20 0 GEADLO CC[C@@]1(C)C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CCO1 ZINC000135609157 532276518 /nfs/dbraw/zinc/27/65/18/532276518.db2.gz LNWBYTZEOJPLRS-KRWDZBQOSA-N 1 2 398.301 2.005 20 0 GEADLO CC[C@@]1(C)C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CCO1 ZINC000135609157 532276521 /nfs/dbraw/zinc/27/65/21/532276521.db2.gz LNWBYTZEOJPLRS-KRWDZBQOSA-N 1 2 398.301 2.005 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135672054 532277334 /nfs/dbraw/zinc/27/73/34/532277334.db2.gz HOJWRCQYHXQMQO-OAHLLOKOSA-N 1 2 385.917 2.087 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135672054 532277337 /nfs/dbraw/zinc/27/73/37/532277337.db2.gz HOJWRCQYHXQMQO-OAHLLOKOSA-N 1 2 385.917 2.087 20 0 GEADLO CN(CCCn1cc[nH+]c1)CCS(=O)(=O)c1cccc(Br)c1 ZINC000181070714 532289606 /nfs/dbraw/zinc/28/96/06/532289606.db2.gz OILXPGCODUPECZ-UHFFFAOYSA-N 1 2 386.315 2.441 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2sccc2Br)[C@@H](C)C1 ZINC000180819910 532282542 /nfs/dbraw/zinc/28/25/42/532282542.db2.gz MVGIJKYTKOQZGR-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2sccc2Br)[C@@H](C)C1 ZINC000180819910 532282546 /nfs/dbraw/zinc/28/25/46/532282546.db2.gz MVGIJKYTKOQZGR-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000136434230 532284746 /nfs/dbraw/zinc/28/47/46/532284746.db2.gz LHMKNOWELHXRSD-UHFFFAOYSA-N 1 2 379.258 2.407 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000136664771 532286669 /nfs/dbraw/zinc/28/66/69/532286669.db2.gz ALRCHJMTCGILGJ-UHFFFAOYSA-N 1 2 382.262 2.322 20 0 GEADLO Cn1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc(Br)c1=O ZINC000136664287 532286693 /nfs/dbraw/zinc/28/66/93/532286693.db2.gz HHXUEUPGCNNWOS-UHFFFAOYSA-N 1 2 380.246 2.213 20 0 GEADLO COCCCNC(=O)C[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000180966108 532286798 /nfs/dbraw/zinc/28/67/98/532286798.db2.gz OWGKASLWBMILMZ-OAHLLOKOSA-N 1 2 388.295 2.183 20 0 GEADLO COCCCNC(=O)C[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000180966108 532286805 /nfs/dbraw/zinc/28/68/05/532286805.db2.gz OWGKASLWBMILMZ-OAHLLOKOSA-N 1 2 388.295 2.183 20 0 GEADLO O=C(C[NH+]1CCC(N2CCCNC2=O)CC1)Nc1ccc(Br)cc1 ZINC000135437176 532273218 /nfs/dbraw/zinc/27/32/18/532273218.db2.gz PKXVHGNIKVGTEK-UHFFFAOYSA-N 1 2 395.301 2.267 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000139018070 532292045 /nfs/dbraw/zinc/29/20/45/532292045.db2.gz YJVDCSHDIVBSHD-CQSZACIVSA-N 1 2 395.301 2.186 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000139018070 532292049 /nfs/dbraw/zinc/29/20/49/532292049.db2.gz YJVDCSHDIVBSHD-CQSZACIVSA-N 1 2 395.301 2.186 20 0 GEADLO Cc1cccc(C[NH+]2CCN(C(=O)c3nn(C)cc3Br)CC2)c1 ZINC000140991675 532294470 /nfs/dbraw/zinc/29/44/70/532294470.db2.gz PDXATYUZPQKMHY-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO C[C@H]1CCC[C@H](CO)[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000181383605 532297453 /nfs/dbraw/zinc/29/74/53/532297453.db2.gz SUJWGDYNSXHVFK-GXTWGEPZSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@H]1CCC[C@H](CO)[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000181383605 532297455 /nfs/dbraw/zinc/29/74/55/532297455.db2.gz SUJWGDYNSXHVFK-GXTWGEPZSA-N 1 2 376.316 2.458 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(OCC)c2OC(F)F)C1 ZINC000181560883 532301471 /nfs/dbraw/zinc/30/14/71/532301471.db2.gz JXFBIEKHEAFWBF-CYBMUJFWSA-N 1 2 378.441 2.200 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(OCC)c2OC(F)F)C1 ZINC000181560883 532301474 /nfs/dbraw/zinc/30/14/74/532301474.db2.gz JXFBIEKHEAFWBF-CYBMUJFWSA-N 1 2 378.441 2.200 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000181556762 532301608 /nfs/dbraw/zinc/30/16/08/532301608.db2.gz MCMCIOWYCJUBDJ-AWEZNQCLSA-N 1 2 385.921 2.179 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000181556762 532301610 /nfs/dbraw/zinc/30/16/10/532301610.db2.gz MCMCIOWYCJUBDJ-AWEZNQCLSA-N 1 2 385.921 2.179 20 0 GEADLO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+]Cc1cccc(Cl)c1F ZINC000150906390 532303580 /nfs/dbraw/zinc/30/35/80/532303580.db2.gz VNQXKUQJDXZRNY-UHFFFAOYSA-N 1 2 386.876 2.382 20 0 GEADLO CCN(C(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000181755606 532306102 /nfs/dbraw/zinc/30/61/02/532306102.db2.gz LPUAYVURPVBPBJ-NWDGAFQWSA-N 1 2 376.881 2.165 20 0 GEADLO O=S(=O)(c1c(Cl)nc2ccccn21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151139865 532307367 /nfs/dbraw/zinc/30/73/67/532307367.db2.gz ZMVLFVUARSRXLR-CYBMUJFWSA-N 1 2 378.841 2.225 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)Cc1ccccc1I)C2 ZINC000137468572 532290342 /nfs/dbraw/zinc/29/03/42/532290342.db2.gz SDXKCKGNZYPLPZ-ZDUSSCGKSA-N 1 2 395.244 2.470 20 0 GEADLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000182404265 532312972 /nfs/dbraw/zinc/31/29/72/532312972.db2.gz ORVWVAJBUMOKSH-LLVKDONJSA-N 1 2 398.859 2.019 20 0 GEADLO CC[C@@H]([NH2+]CC(=O)NC(=O)N[C@@H](C)COC)c1nc(C(F)(F)F)cs1 ZINC000185927225 532339098 /nfs/dbraw/zinc/33/90/98/532339098.db2.gz KBLOOHAYEOMNMN-DTWKUNHWSA-N 1 2 382.408 2.063 20 0 GEADLO CC(C)c1nc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cs1 ZINC000186402918 532340761 /nfs/dbraw/zinc/34/07/61/532340761.db2.gz IPXMXYGJKVFPCG-KBPBESRZSA-N 1 2 375.560 2.406 20 0 GEADLO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000186844223 532342148 /nfs/dbraw/zinc/34/21/48/532342148.db2.gz XNMIWCUUJQOICA-IUODEOHRSA-N 1 2 379.507 2.277 20 0 GEADLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ncc(Cl)cc1Cl ZINC000186876073 532342369 /nfs/dbraw/zinc/34/23/69/532342369.db2.gz PUIRSFLPZONFDF-CQSZACIVSA-N 1 2 375.300 2.371 20 0 GEADLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ncc(Cl)cc1Cl ZINC000186876073 532342370 /nfs/dbraw/zinc/34/23/70/532342370.db2.gz PUIRSFLPZONFDF-CQSZACIVSA-N 1 2 375.300 2.371 20 0 GEADLO CCN(C(=O)[C@H](C)[NH+]1CCC(c2ccsc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000186923665 532342716 /nfs/dbraw/zinc/34/27/16/532342716.db2.gz AGGLWHAYEMSDPF-WMLDXEAASA-N 1 2 384.567 2.352 20 0 GEADLO C[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cccc(Cl)c1Cl ZINC000183764154 532328927 /nfs/dbraw/zinc/32/89/27/532328927.db2.gz XSAVYBQYGVMKGW-MRVPVSSYSA-N 1 2 382.251 2.118 20 0 GEADLO O=C(NCC(F)(F)CO)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000184891890 532335640 /nfs/dbraw/zinc/33/56/40/532335640.db2.gz GLDXEQLAGYGTAP-ZDUSSCGKSA-N 1 2 379.810 2.370 20 0 GEADLO O=C(NCC(F)(F)CO)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000184891890 532335641 /nfs/dbraw/zinc/33/56/41/532335641.db2.gz GLDXEQLAGYGTAP-ZDUSSCGKSA-N 1 2 379.810 2.370 20 0 GEADLO CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000185025671 532336516 /nfs/dbraw/zinc/33/65/16/532336516.db2.gz NQRAGYYOLDOOSK-ZDUSSCGKSA-N 1 2 380.539 2.329 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2cc(Br)ncc2Cl)CCO1 ZINC000188824940 532349726 /nfs/dbraw/zinc/34/97/26/532349726.db2.gz OABZWIVPHJHHKO-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2cc(Br)ncc2Cl)CCO1 ZINC000188824940 532349727 /nfs/dbraw/zinc/34/97/27/532349727.db2.gz OABZWIVPHJHHKO-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000189231183 532351461 /nfs/dbraw/zinc/35/14/61/532351461.db2.gz JIXPNQODLKKKFG-UHFFFAOYSA-N 1 2 375.332 2.445 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000189231183 532351462 /nfs/dbraw/zinc/35/14/62/532351462.db2.gz JIXPNQODLKKKFG-UHFFFAOYSA-N 1 2 375.332 2.445 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)CCOCC(F)F)c2ccc(Cl)cc2)C1 ZINC000189897831 532353949 /nfs/dbraw/zinc/35/39/49/532353949.db2.gz QICMGZAWOLCKQF-RHSMWYFYSA-N 1 2 376.831 2.500 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)CCOCC(F)F)c2ccc(Cl)cc2)C1 ZINC000189897831 532353950 /nfs/dbraw/zinc/35/39/50/532353950.db2.gz QICMGZAWOLCKQF-RHSMWYFYSA-N 1 2 376.831 2.500 20 0 GEADLO CCN1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1=O ZINC000190204222 532355164 /nfs/dbraw/zinc/35/51/64/532355164.db2.gz JSQIZDFVFIKGOQ-AWEZNQCLSA-N 1 2 396.329 2.350 20 0 GEADLO CCN1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1=O ZINC000190204222 532355165 /nfs/dbraw/zinc/35/51/65/532355165.db2.gz JSQIZDFVFIKGOQ-AWEZNQCLSA-N 1 2 396.329 2.350 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000190379210 532355922 /nfs/dbraw/zinc/35/59/22/532355922.db2.gz QFBMMGTWTQCHDW-ZFWWWQNUSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000190379210 532355923 /nfs/dbraw/zinc/35/59/23/532355923.db2.gz QFBMMGTWTQCHDW-ZFWWWQNUSA-N 1 2 376.469 2.398 20 0 GEADLO CCS(=O)(=O)CCCCC[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000190448517 532356159 /nfs/dbraw/zinc/35/61/59/532356159.db2.gz YCPATAMKOWCICS-UHFFFAOYSA-N 1 2 388.555 2.021 20 0 GEADLO CCS(=O)(=O)CCCCC[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000190448517 532356160 /nfs/dbraw/zinc/35/61/60/532356160.db2.gz YCPATAMKOWCICS-UHFFFAOYSA-N 1 2 388.555 2.021 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000190506700 532356521 /nfs/dbraw/zinc/35/65/21/532356521.db2.gz IRZIKDOJZXSYIL-CQSZACIVSA-N 1 2 390.933 2.468 20 0 GEADLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191306654 532360384 /nfs/dbraw/zinc/36/03/84/532360384.db2.gz JSWUQAVRAGXFCA-NSHDSACASA-N 1 2 379.452 2.230 20 0 GEADLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191306654 532360385 /nfs/dbraw/zinc/36/03/85/532360385.db2.gz JSWUQAVRAGXFCA-NSHDSACASA-N 1 2 379.452 2.230 20 0 GEADLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191319563 532360431 /nfs/dbraw/zinc/36/04/31/532360431.db2.gz BLMRQHRVRLBDLQ-WDEREUQCSA-N 1 2 379.452 2.372 20 0 GEADLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191319563 532360432 /nfs/dbraw/zinc/36/04/32/532360432.db2.gz BLMRQHRVRLBDLQ-WDEREUQCSA-N 1 2 379.452 2.372 20 0 GEADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191317091 532360506 /nfs/dbraw/zinc/36/05/06/532360506.db2.gz OBPCRRTUGXSVOE-LLVKDONJSA-N 1 2 379.452 2.324 20 0 GEADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191317091 532360507 /nfs/dbraw/zinc/36/05/07/532360507.db2.gz OBPCRRTUGXSVOE-LLVKDONJSA-N 1 2 379.452 2.324 20 0 GEADLO O=C(Cc1cncs1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000187582562 532344937 /nfs/dbraw/zinc/34/49/37/532344937.db2.gz USMVIHNSPGQITM-UHFFFAOYSA-N 1 2 375.885 2.331 20 0 GEADLO Cc1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCOCC3)c2)sc1Cl ZINC000191872467 532372363 /nfs/dbraw/zinc/37/23/63/532372363.db2.gz NIJDTQIIYFGWIS-UHFFFAOYSA-N 1 2 387.914 2.420 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2F)C1 ZINC000294622744 532372797 /nfs/dbraw/zinc/37/27/97/532372797.db2.gz YUCMLGQBTGWOGG-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2F)C1 ZINC000294622744 532372803 /nfs/dbraw/zinc/37/28/03/532372803.db2.gz YUCMLGQBTGWOGG-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CCOC1CC(CNC(=O)c2cc(Cl)ncc2Cl)([NH+]2CCOCC2)C1 ZINC000278334239 532374950 /nfs/dbraw/zinc/37/49/50/532374950.db2.gz IPBFFLLWLUUWGW-UHFFFAOYSA-N 1 2 388.295 2.388 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000590636131 532378689 /nfs/dbraw/zinc/37/86/89/532378689.db2.gz HANXJBVSCDALQC-WBMJQRKESA-N 1 2 381.885 2.104 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CCS(=O)(=O)CC[C@@H]1C)c1ccsc1 ZINC000191973939 532377538 /nfs/dbraw/zinc/37/75/38/532377538.db2.gz ZFNQZPVLHKUWON-GOEBONIOSA-N 1 2 387.571 2.350 20 0 GEADLO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC(O)(C(F)F)C1 ZINC000425018891 532362123 /nfs/dbraw/zinc/36/21/23/532362123.db2.gz MBOWROQOWHZDJE-CYBMUJFWSA-N 1 2 389.240 2.424 20 0 GEADLO O=C(Cc1c[nH]c2cc(Br)ccc12)NCC1([NH+]2CCOCC2)CC1 ZINC000277751531 532362429 /nfs/dbraw/zinc/36/24/29/532362429.db2.gz CBNHLCPLVPKPJA-UHFFFAOYSA-N 1 2 392.297 2.454 20 0 GEADLO Cn1nc2c(cc1=O)C[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)CC2 ZINC000462950549 532362758 /nfs/dbraw/zinc/36/27/58/532362758.db2.gz DKPSMVMGLQKVBN-XMMPIXPASA-N 1 2 386.304 2.253 20 0 GEADLO Cn1nc2c(cc1=O)C[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)CC2 ZINC000462950549 532362762 /nfs/dbraw/zinc/36/27/62/532362762.db2.gz DKPSMVMGLQKVBN-XMMPIXPASA-N 1 2 386.304 2.253 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277874433 532363723 /nfs/dbraw/zinc/36/37/23/532363723.db2.gz UZUWQOKABDMBOU-RNCFNFMXSA-N 1 2 380.388 2.108 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277874433 532363730 /nfs/dbraw/zinc/36/37/30/532363730.db2.gz UZUWQOKABDMBOU-RNCFNFMXSA-N 1 2 380.388 2.108 20 0 GEADLO O=C(C[S@](=O)Cc1[nH+]ccn1CC(F)(F)F)NCc1ccccc1F ZINC000462994023 532363805 /nfs/dbraw/zinc/36/38/05/532363805.db2.gz NNAYWSMIEHZQEW-RUZDIDTESA-N 1 2 377.363 2.150 20 0 GEADLO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647036941 532364230 /nfs/dbraw/zinc/36/42/30/532364230.db2.gz DZLHOVPZDULQSF-BXUZGUMPSA-N 1 2 382.233 2.197 20 0 GEADLO CN(CC(=O)N[C@H](c1[nH+]ccn1C)C1CC1)C(=O)c1ccc(Br)o1 ZINC000557489329 532365488 /nfs/dbraw/zinc/36/54/88/532365488.db2.gz RCFJKURHLXBPKC-AWEZNQCLSA-N 1 2 395.257 2.115 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)Cc1cnn(C)c1 ZINC000294556029 532367167 /nfs/dbraw/zinc/36/71/67/532367167.db2.gz LJNYRNQRQAXHPC-GFCCVEGCSA-N 1 2 395.301 2.328 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000294556029 532367173 /nfs/dbraw/zinc/36/71/73/532367173.db2.gz LJNYRNQRQAXHPC-GFCCVEGCSA-N 1 2 395.301 2.328 20 0 GEADLO COC(=O)Cn1cc(C[N@H+](Cc2cccc(Br)c2)C2CC2)nn1 ZINC000294556117 532367845 /nfs/dbraw/zinc/36/78/45/532367845.db2.gz LNCXNJZEZUUJGS-UHFFFAOYSA-N 1 2 379.258 2.378 20 0 GEADLO COC(=O)Cn1cc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)nn1 ZINC000294556117 532367856 /nfs/dbraw/zinc/36/78/56/532367856.db2.gz LNCXNJZEZUUJGS-UHFFFAOYSA-N 1 2 379.258 2.378 20 0 GEADLO CCSCC[C@@H](C)N(C)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000516159541 532380343 /nfs/dbraw/zinc/38/03/43/532380343.db2.gz QQKQTRSMDYGXLH-OAHLLOKOSA-N 1 2 383.583 2.382 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)c2[nH+]ccn21 ZINC000622880115 532380513 /nfs/dbraw/zinc/38/05/13/532380513.db2.gz LYPRADCHKKRKIH-BXKDBHETSA-N 1 2 388.229 2.057 20 0 GEADLO O=S1(=O)CC[C@@H](CC[N@@H+](CCO)Cc2cc(Br)ccc2F)C1 ZINC000677682451 532381125 /nfs/dbraw/zinc/38/11/25/532381125.db2.gz VWXWQGCXMRAKGB-GFCCVEGCSA-N 1 2 394.306 2.207 20 0 GEADLO O=S1(=O)CC[C@@H](CC[N@H+](CCO)Cc2cc(Br)ccc2F)C1 ZINC000677682451 532381128 /nfs/dbraw/zinc/38/11/28/532381128.db2.gz VWXWQGCXMRAKGB-GFCCVEGCSA-N 1 2 394.306 2.207 20 0 GEADLO COc1ccc(Cl)cc1CN1CC[NH+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000677673288 532381587 /nfs/dbraw/zinc/38/15/87/532381587.db2.gz AVVVALWNJYSALY-OAHLLOKOSA-N 1 2 386.945 2.291 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2Cl)CC[N@@H+]1CCOC ZINC000558064271 532383157 /nfs/dbraw/zinc/38/31/57/532383157.db2.gz LXULTJXFCNIURR-CYBMUJFWSA-N 1 2 376.906 2.080 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2Cl)CC[N@H+]1CCOC ZINC000558064271 532383163 /nfs/dbraw/zinc/38/31/63/532383163.db2.gz LXULTJXFCNIURR-CYBMUJFWSA-N 1 2 376.906 2.080 20 0 GEADLO CC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)Cc1ccccc1Br ZINC000558061852 532383590 /nfs/dbraw/zinc/38/35/90/532383590.db2.gz YUKUBMFMCZSGMT-GFCCVEGCSA-N 1 2 386.290 2.132 20 0 GEADLO CC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)Cc1ccccc1Br ZINC000558061852 532383597 /nfs/dbraw/zinc/38/35/97/532383597.db2.gz YUKUBMFMCZSGMT-GFCCVEGCSA-N 1 2 386.290 2.132 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000372309373 532383751 /nfs/dbraw/zinc/38/37/51/532383751.db2.gz WGRNWZYLVCUGEF-ZDUSSCGKSA-N 1 2 381.885 2.253 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000558073196 532384258 /nfs/dbraw/zinc/38/42/58/532384258.db2.gz GEANGKARRVAOHK-OAHLLOKOSA-N 1 2 388.555 2.023 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000558073196 532384265 /nfs/dbraw/zinc/38/42/65/532384265.db2.gz GEANGKARRVAOHK-OAHLLOKOSA-N 1 2 388.555 2.023 20 0 GEADLO CCS(=O)(=O)N1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000558127591 532387499 /nfs/dbraw/zinc/38/74/99/532387499.db2.gz SVGRCMADFPGKEA-GFCCVEGCSA-N 1 2 391.896 2.164 20 0 GEADLO CCS(=O)(=O)N1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000558127591 532387503 /nfs/dbraw/zinc/38/75/03/532387503.db2.gz SVGRCMADFPGKEA-GFCCVEGCSA-N 1 2 391.896 2.164 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1)C1CC1 ZINC000558425176 532389638 /nfs/dbraw/zinc/38/96/38/532389638.db2.gz SJPRITQJPYKICV-ZDUSSCGKSA-N 1 2 382.917 2.282 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cnc3ccc(Cl)cn23)C1)C1CC1 ZINC000558425176 532389644 /nfs/dbraw/zinc/38/96/44/532389644.db2.gz SJPRITQJPYKICV-ZDUSSCGKSA-N 1 2 382.917 2.282 20 0 GEADLO CCOc1cc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)cc(Cl)c1OC ZINC000372403892 532390654 /nfs/dbraw/zinc/39/06/54/532390654.db2.gz HXXIZNXEWKZBTG-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO CCOc1cc(C[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)cc(Cl)c1OC ZINC000372403892 532390661 /nfs/dbraw/zinc/39/06/61/532390661.db2.gz HXXIZNXEWKZBTG-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO CCOc1cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc(Br)c1OC(F)F ZINC000678297481 532391589 /nfs/dbraw/zinc/39/15/89/532391589.db2.gz IOXRRQOCXHIOOI-PHIMTYICSA-N 1 2 396.228 2.377 20 0 GEADLO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc(Br)c1OC(F)F ZINC000678297481 532391595 /nfs/dbraw/zinc/39/15/95/532391595.db2.gz IOXRRQOCXHIOOI-PHIMTYICSA-N 1 2 396.228 2.377 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1C(F)(F)F ZINC000558471240 532391873 /nfs/dbraw/zinc/39/18/73/532391873.db2.gz OEFYCVKQXBYSTQ-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1C(F)(F)F ZINC000558471240 532391878 /nfs/dbraw/zinc/39/18/78/532391878.db2.gz OEFYCVKQXBYSTQ-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000372541852 532394970 /nfs/dbraw/zinc/39/49/70/532394970.db2.gz BJORNMWKLNFZNV-CYBMUJFWSA-N 1 2 378.274 2.073 20 0 GEADLO Cc1cc(C)c(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000516947086 532398899 /nfs/dbraw/zinc/39/88/99/532398899.db2.gz HPMASSWDTQJOEZ-UHFFFAOYSA-N 1 2 379.551 2.465 20 0 GEADLO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)c(F)cc1O ZINC000295007893 532396378 /nfs/dbraw/zinc/39/63/78/532396378.db2.gz OYFDWBLLVLGGSH-LLVKDONJSA-N 1 2 388.281 2.050 20 0 GEADLO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Br)c(F)cc1O ZINC000295007893 532396383 /nfs/dbraw/zinc/39/63/83/532396383.db2.gz OYFDWBLLVLGGSH-LLVKDONJSA-N 1 2 388.281 2.050 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)Cc2ccc(C(F)F)cc2)CC[N@@H+]1CCOC ZINC000559053952 532400542 /nfs/dbraw/zinc/40/05/42/532400542.db2.gz PGZMODFXXXWXJD-INIZCTEOSA-N 1 2 376.469 2.497 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)Cc2ccc(C(F)F)cc2)CC[N@H+]1CCOC ZINC000559053952 532400547 /nfs/dbraw/zinc/40/05/47/532400547.db2.gz PGZMODFXXXWXJD-INIZCTEOSA-N 1 2 376.469 2.497 20 0 GEADLO CNc1cc(I)ccc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000591081077 532398922 /nfs/dbraw/zinc/39/89/22/532398922.db2.gz XFIBXFFKECNFEU-LLVKDONJSA-N 1 2 396.232 2.274 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000648822224 532402856 /nfs/dbraw/zinc/40/28/56/532402856.db2.gz PIEDALLKEOARMJ-LLVKDONJSA-N 1 2 387.249 2.144 20 0 GEADLO CCCc1csc(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)n1 ZINC000426079890 532401847 /nfs/dbraw/zinc/40/18/47/532401847.db2.gz VXCSBALSJRAXIV-UHFFFAOYSA-N 1 2 380.539 2.065 20 0 GEADLO COC(=O)CNC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000559480439 532403648 /nfs/dbraw/zinc/40/36/48/532403648.db2.gz WKLKINSUFMVOSJ-CQSZACIVSA-N 1 2 383.286 2.135 20 0 GEADLO COC(=O)CNC(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000559480439 532403653 /nfs/dbraw/zinc/40/36/53/532403653.db2.gz WKLKINSUFMVOSJ-CQSZACIVSA-N 1 2 383.286 2.135 20 0 GEADLO CCC(F)(F)C(C)(C)CS(=O)(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000625016948 532403940 /nfs/dbraw/zinc/40/39/40/532403940.db2.gz IODKWNNWTNWXIX-OAHLLOKOSA-N 1 2 383.549 2.249 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464800489 532405988 /nfs/dbraw/zinc/40/59/88/532405988.db2.gz WIQHODGGMCCEKN-YVEFUNNKSA-N 1 2 380.286 2.378 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)c(Br)c1 ZINC000464791659 532404906 /nfs/dbraw/zinc/40/49/06/532404906.db2.gz FQIFYJGOSSAJCQ-QGZVFWFLSA-N 1 2 380.286 2.298 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)c(Br)c1 ZINC000464791659 532404912 /nfs/dbraw/zinc/40/49/12/532404912.db2.gz FQIFYJGOSSAJCQ-QGZVFWFLSA-N 1 2 380.286 2.298 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464800489 532405993 /nfs/dbraw/zinc/40/59/93/532405993.db2.gz WIQHODGGMCCEKN-YVEFUNNKSA-N 1 2 380.286 2.378 20 0 GEADLO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000679472728 532405479 /nfs/dbraw/zinc/40/54/79/532405479.db2.gz YYLVDFKQYFGKCV-CVEARBPZSA-N 1 2 393.336 2.354 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000559865823 532406783 /nfs/dbraw/zinc/40/67/83/532406783.db2.gz VKXFHJILFSEUNM-ZJUUUORDSA-N 1 2 385.287 2.298 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000192731125 532407407 /nfs/dbraw/zinc/40/74/07/532407407.db2.gz VVNFPOSEXVNUOJ-CQSZACIVSA-N 1 2 376.881 2.106 20 0 GEADLO Cn1cc(Br)c(C[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)n1 ZINC000517231002 532409625 /nfs/dbraw/zinc/40/96/25/532409625.db2.gz MQOZESUIQSYEEE-LLVKDONJSA-N 1 2 379.258 2.193 20 0 GEADLO C[C@H](NC(=O)COc1ccc(Br)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000591340327 532408544 /nfs/dbraw/zinc/40/85/44/532408544.db2.gz WDUQSQKYLUQEJO-RYUDHWBXSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@H]([C@H](C)NC(=O)COc1ccc(Br)cc1F)[NH+]1CCOCC1 ZINC000591340326 532409003 /nfs/dbraw/zinc/40/90/03/532409003.db2.gz WDUQSQKYLUQEJO-NWDGAFQWSA-N 1 2 389.265 2.192 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)o1 ZINC000295156032 532412036 /nfs/dbraw/zinc/41/20/36/532412036.db2.gz GQNXDRYELNUGTK-CMPLNLGQSA-N 1 2 388.251 2.289 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)o1 ZINC000295156032 532412040 /nfs/dbraw/zinc/41/20/40/532412040.db2.gz GQNXDRYELNUGTK-CMPLNLGQSA-N 1 2 388.251 2.289 20 0 GEADLO CCn1cc(Br)c(=O)c(NC(=O)Cc2cn3ccccc3[nH+]2)c1 ZINC000680399928 532412493 /nfs/dbraw/zinc/41/24/93/532412493.db2.gz MMKRPFJDFGDVMC-UHFFFAOYSA-N 1 2 375.226 2.460 20 0 GEADLO CC(C)[N@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000372861431 532413907 /nfs/dbraw/zinc/41/39/07/532413907.db2.gz NCCAIKIYNVTDKA-CYBMUJFWSA-N 1 2 389.315 2.124 20 0 GEADLO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000372861431 532413911 /nfs/dbraw/zinc/41/39/11/532413911.db2.gz NCCAIKIYNVTDKA-CYBMUJFWSA-N 1 2 389.315 2.124 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2ccc(SCC[C@@H]3CCCCO3)nc2)CC1 ZINC000680498764 532414201 /nfs/dbraw/zinc/41/42/01/532414201.db2.gz JGQCBKURKGZBFU-HNNXBMFYSA-N 1 2 385.555 2.069 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1cc(Br)ccc1F ZINC000591599964 532414287 /nfs/dbraw/zinc/41/42/87/532414287.db2.gz DFXBKLLMKWQVDN-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1cc(Br)ccc1F ZINC000591599964 532414291 /nfs/dbraw/zinc/41/42/91/532414291.db2.gz DFXBKLLMKWQVDN-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)Cc1ccc(I)cc1)CC2 ZINC000372845023 532413235 /nfs/dbraw/zinc/41/32/35/532413235.db2.gz HCRCVKRMKNJFGA-UHFFFAOYSA-N 1 2 381.217 2.381 20 0 GEADLO Cc1cc(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)ccc1Br ZINC000295193587 532415571 /nfs/dbraw/zinc/41/55/71/532415571.db2.gz LPFSUEYGFGRBAT-UHFFFAOYSA-N 1 2 387.303 2.316 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000427227371 532415661 /nfs/dbraw/zinc/41/56/61/532415661.db2.gz MCWFMJVGNVCBNP-UHFFFAOYSA-N 1 2 387.184 2.058 20 0 GEADLO CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000625235051 532417664 /nfs/dbraw/zinc/41/76/64/532417664.db2.gz VKOAVBMFALCOAW-LBPRGKRZSA-N 1 2 381.489 2.471 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1)N1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000193040477 532419609 /nfs/dbraw/zinc/41/96/09/532419609.db2.gz XARMUIJQOLEZPE-QGZVFWFLSA-N 1 2 388.917 2.190 20 0 GEADLO Cc1ccc([C@H]([NH2+]CC(=O)N(C)c2nccs2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280956735 532419988 /nfs/dbraw/zinc/41/99/88/532419988.db2.gz YFGVOEPUEYBHAV-XJKSGUPXSA-N 1 2 381.523 2.178 20 0 GEADLO Nc1cc(C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)ccn1 ZINC000193327539 532420044 /nfs/dbraw/zinc/42/00/44/532420044.db2.gz HPQBHQLAPBRORI-UHFFFAOYSA-N 1 2 375.270 2.384 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000680977694 532420396 /nfs/dbraw/zinc/42/03/96/532420396.db2.gz WCROFDANFLGNMF-LSDHHAIUSA-N 1 2 390.958 2.282 20 0 GEADLO CCNC(=O)C[N@H+](C)[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000680961149 532420675 /nfs/dbraw/zinc/42/06/75/532420675.db2.gz FLOSMPPVNZHPKL-HNNXBMFYSA-N 1 2 382.302 2.321 20 0 GEADLO CCNC(=O)C[N@@H+](C)[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000680961149 532420679 /nfs/dbraw/zinc/42/06/79/532420679.db2.gz FLOSMPPVNZHPKL-HNNXBMFYSA-N 1 2 382.302 2.321 20 0 GEADLO CN(C)c1nc(N)nc(C[NH2+]C2(c3cccc(Br)c3)CCC2)n1 ZINC000560693779 532421511 /nfs/dbraw/zinc/42/15/11/532421511.db2.gz UPIQKWBEMIVXKA-UHFFFAOYSA-N 1 2 377.290 2.451 20 0 GEADLO Cn1c(=O)cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)c(F)c2)n(C)c1=O ZINC000281234282 532422168 /nfs/dbraw/zinc/42/21/68/532422168.db2.gz UGIXMQSNDPAFDE-OAHLLOKOSA-N 1 2 396.260 2.323 20 0 GEADLO Cn1c(=O)cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)c(F)c2)n(C)c1=O ZINC000281234282 532422173 /nfs/dbraw/zinc/42/21/73/532422173.db2.gz UGIXMQSNDPAFDE-OAHLLOKOSA-N 1 2 396.260 2.323 20 0 GEADLO O=C(C[NH+]1CCC(Cn2cnnc2)CC1)Nc1ccccc1Br ZINC000649787254 532425123 /nfs/dbraw/zinc/42/51/23/532425123.db2.gz IMKMIQDSBNIKPJ-UHFFFAOYSA-N 1 2 378.274 2.391 20 0 GEADLO CCOc1ccc(Br)cc1S(=O)(=O)NCCc1c[nH+]cn1C ZINC000681270384 532426900 /nfs/dbraw/zinc/42/69/00/532426900.db2.gz PJOIMMJACZPHOZ-UHFFFAOYSA-N 1 2 388.287 2.102 20 0 GEADLO Cc1cnc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(I)c1 ZINC000591820858 532426692 /nfs/dbraw/zinc/42/66/92/532426692.db2.gz JTPDDFSZHSFWLK-UONOGXRCSA-N 1 2 387.265 2.030 20 0 GEADLO O=S(=O)(CCOCC(F)(F)F)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000517783202 532426994 /nfs/dbraw/zinc/42/69/94/532426994.db2.gz LVDMIFGZAGXXDV-UHFFFAOYSA-N 1 2 381.420 2.070 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000281639994 532429722 /nfs/dbraw/zinc/42/97/22/532429722.db2.gz MGIRLQJFUBGWRF-LBPRGKRZSA-N 1 2 379.309 2.336 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)CN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000592002926 532432302 /nfs/dbraw/zinc/43/23/02/532432302.db2.gz OIUBAFWNHAJWBL-UWVGGRQHSA-N 1 2 383.217 2.497 20 0 GEADLO Cc1cc(Br)cc2c1CN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)CC2 ZINC000561210693 532431499 /nfs/dbraw/zinc/43/14/99/532431499.db2.gz TZCNLRSJCGUUNO-AWEZNQCLSA-N 1 2 380.330 2.278 20 0 GEADLO CC(=O)NCC(C)(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000649921783 532431845 /nfs/dbraw/zinc/43/18/45/532431845.db2.gz BDJCWLPKVNVLKC-UHFFFAOYSA-N 1 2 395.301 2.226 20 0 GEADLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1scnc1C(=O)OC ZINC000281836702 532436798 /nfs/dbraw/zinc/43/67/98/532436798.db2.gz XNDFNHCVTJQTHE-NSHDSACASA-N 1 2 384.483 2.062 20 0 GEADLO CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1OC ZINC000373175223 532436911 /nfs/dbraw/zinc/43/69/11/532436911.db2.gz FQXCBTQYOUJGAG-CQSZACIVSA-N 1 2 388.917 2.403 20 0 GEADLO CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1OC ZINC000373175223 532436918 /nfs/dbraw/zinc/43/69/18/532436918.db2.gz FQXCBTQYOUJGAG-CQSZACIVSA-N 1 2 388.917 2.403 20 0 GEADLO COCC[C@@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000281791533 532432951 /nfs/dbraw/zinc/43/29/51/532432951.db2.gz VQWZNVJZAWITLL-JKSUJKDBSA-N 1 2 385.302 2.100 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000518036664 532433525 /nfs/dbraw/zinc/43/35/25/532433525.db2.gz YEJDUZZQSLRNOO-COXVUDFISA-N 1 2 380.330 2.305 20 0 GEADLO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000427835195 532433854 /nfs/dbraw/zinc/43/38/54/532433854.db2.gz LSFKVUGCWLQQGA-UHFFFAOYSA-N 1 2 389.308 2.364 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1CCC=C(Br)C1 ZINC000281837321 532437249 /nfs/dbraw/zinc/43/72/49/532437249.db2.gz MRCPMJSUZLQXPX-UHFFFAOYSA-N 1 2 381.274 2.112 20 0 GEADLO CN(C(=O)c1coc(S(C)(=O)=O)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000650085383 532434421 /nfs/dbraw/zinc/43/44/21/532434421.db2.gz HSBQHPFKMOUVBS-UHFFFAOYSA-N 1 2 382.404 2.172 20 0 GEADLO COc1ccccc1C[NH+]1CCN(C(=O)c2c(Br)cnn2C)CC1 ZINC000295371582 532441078 /nfs/dbraw/zinc/44/10/78/532441078.db2.gz WTTHIHVHGQVUQJ-UHFFFAOYSA-N 1 2 393.285 2.149 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000373329318 532441381 /nfs/dbraw/zinc/44/13/81/532441381.db2.gz WGWYAWKCFXYJGM-CHWSQXEVSA-N 1 2 390.958 2.130 20 0 GEADLO NC(=O)C1(O)CC[NH+](Cc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC000295343994 532437265 /nfs/dbraw/zinc/43/72/65/532437265.db2.gz NFSYWWLFLQENIP-UHFFFAOYSA-N 1 2 396.310 2.385 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000281852022 532438773 /nfs/dbraw/zinc/43/87/73/532438773.db2.gz MZYZONQVMWVIFC-CYBMUJFWSA-N 1 2 380.286 2.083 20 0 GEADLO Cn1ncc(Br)c1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000295364593 532439174 /nfs/dbraw/zinc/43/91/74/532439174.db2.gz WHMXOOJLYRKLGX-LBPRGKRZSA-N 1 2 387.228 2.494 20 0 GEADLO Cc1cc(CS(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)on1 ZINC000561443462 532439771 /nfs/dbraw/zinc/43/97/71/532439771.db2.gz RGYIGHXIJNDPNP-INIZCTEOSA-N 1 2 381.523 2.020 20 0 GEADLO Cc1cc(CS(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)on1 ZINC000561443462 532439776 /nfs/dbraw/zinc/43/97/76/532439776.db2.gz RGYIGHXIJNDPNP-INIZCTEOSA-N 1 2 381.523 2.020 20 0 GEADLO COc1ccc(-c2csc(NC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O)n2)cc1 ZINC000467184693 532440426 /nfs/dbraw/zinc/44/04/26/532440426.db2.gz DGMZGQDEBQMPOX-YDBLSZJJSA-N 1 2 381.523 2.456 20 0 GEADLO COc1ccc(-c2csc(NC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O)n2)cc1 ZINC000467184693 532440431 /nfs/dbraw/zinc/44/04/31/532440431.db2.gz DGMZGQDEBQMPOX-YDBLSZJJSA-N 1 2 381.523 2.456 20 0 GEADLO Cc1nc(C)n(C[C@H]2C[N@H+](CCOc3ccc(Br)cc3)CCO2)n1 ZINC000592253304 532443739 /nfs/dbraw/zinc/44/37/39/532443739.db2.gz BBTCNFGMUPHIDK-QGZVFWFLSA-N 1 2 395.301 2.437 20 0 GEADLO Cc1nc(C)n(C[C@H]2C[N@@H+](CCOc3ccc(Br)cc3)CCO2)n1 ZINC000592253304 532443744 /nfs/dbraw/zinc/44/37/44/532443744.db2.gz BBTCNFGMUPHIDK-QGZVFWFLSA-N 1 2 395.301 2.437 20 0 GEADLO NS(=O)(=O)c1ccccc1N1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000682408644 532445666 /nfs/dbraw/zinc/44/56/66/532445666.db2.gz PLOGGGGITOGBLI-UHFFFAOYSA-N 1 2 383.876 2.449 20 0 GEADLO CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccccc2CC[NH+](C)C)s1 ZINC000682158496 532442104 /nfs/dbraw/zinc/44/21/04/532442104.db2.gz LUZICWVDTPFULT-UHFFFAOYSA-N 1 2 382.511 2.315 20 0 GEADLO CCOC1CC(CNC(=O)c2c(Cl)cncc2Cl)([NH+]2CCOCC2)C1 ZINC000295442798 532446573 /nfs/dbraw/zinc/44/65/73/532446573.db2.gz UPZQOAQFFRYBLW-UHFFFAOYSA-N 1 2 388.295 2.388 20 0 GEADLO CC(C)[C@H]1CN(c2c(F)cc(S(N)(=O)=O)cc2Br)CC[N@@H+]1C ZINC000428252097 532447283 /nfs/dbraw/zinc/44/72/83/532447283.db2.gz DZERELLTBOVIIL-CYBMUJFWSA-N 1 2 394.310 2.012 20 0 GEADLO CC(C)[C@H]1CN(c2c(F)cc(S(N)(=O)=O)cc2Br)CC[N@H+]1C ZINC000428252097 532447289 /nfs/dbraw/zinc/44/72/89/532447289.db2.gz DZERELLTBOVIIL-CYBMUJFWSA-N 1 2 394.310 2.012 20 0 GEADLO FC(F)(F)COCC[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000194305442 532447297 /nfs/dbraw/zinc/44/72/97/532447297.db2.gz BVMBPXLYZWFMQN-UHFFFAOYSA-N 1 2 376.404 2.495 20 0 GEADLO CN(c1nc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cs1)C1CC1 ZINC000518828326 532447746 /nfs/dbraw/zinc/44/77/46/532447746.db2.gz HGYXAGQODIFLGU-CYBMUJFWSA-N 1 2 384.571 2.036 20 0 GEADLO CN(c1nc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cs1)C1CC1 ZINC000518828326 532447752 /nfs/dbraw/zinc/44/77/52/532447752.db2.gz HGYXAGQODIFLGU-CYBMUJFWSA-N 1 2 384.571 2.036 20 0 GEADLO C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ncc(Br)s1 ZINC000561709283 532448345 /nfs/dbraw/zinc/44/83/45/532448345.db2.gz GCFHNDUUOZNNBI-MNOVXSKESA-N 1 2 398.330 2.481 20 0 GEADLO CN1CCN(c2cc(NCc3ccsc3Br)[nH+]cn2)CC1=O ZINC000282226238 532449064 /nfs/dbraw/zinc/44/90/64/532449064.db2.gz KORFXQRUDHMPBY-UHFFFAOYSA-N 1 2 382.287 2.191 20 0 GEADLO CN1CCN(c2cc(NCc3ccsc3Br)nc[nH+]2)CC1=O ZINC000282226238 532449069 /nfs/dbraw/zinc/44/90/69/532449069.db2.gz KORFXQRUDHMPBY-UHFFFAOYSA-N 1 2 382.287 2.191 20 0 GEADLO Nc1ccccc1S(=O)(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000467404426 532446339 /nfs/dbraw/zinc/44/63/39/532446339.db2.gz YXHQZKTXRBCOOG-UHFFFAOYSA-N 1 2 381.255 2.158 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000682878358 532450175 /nfs/dbraw/zinc/45/01/75/532450175.db2.gz DVZYORQVIWBRIT-UPJWGTAASA-N 1 2 383.773 2.447 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)NC[C@@H](O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000682878358 532450179 /nfs/dbraw/zinc/45/01/79/532450179.db2.gz DVZYORQVIWBRIT-UPJWGTAASA-N 1 2 383.773 2.447 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)NCCOc1ccc(Cl)cc1 ZINC000561738083 532450529 /nfs/dbraw/zinc/45/05/29/532450529.db2.gz AAMQHRVEIISYFT-HIFRSBDPSA-N 1 2 380.794 2.223 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)NCCOc1ccc(Cl)cc1 ZINC000561738083 532450534 /nfs/dbraw/zinc/45/05/34/532450534.db2.gz AAMQHRVEIISYFT-HIFRSBDPSA-N 1 2 380.794 2.223 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000467936443 532457028 /nfs/dbraw/zinc/45/70/28/532457028.db2.gz CJEDMWHZYABXMH-NSHDSACASA-N 1 2 379.265 2.082 20 0 GEADLO CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000592380032 532453401 /nfs/dbraw/zinc/45/34/01/532453401.db2.gz RVOUXHJKYCQYOC-GHMZBOCLSA-N 1 2 378.420 2.009 20 0 GEADLO O=C(NCCn1cc(Br)cn1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000561949313 532454107 /nfs/dbraw/zinc/45/41/07/532454107.db2.gz RDHTVSGMKAXTAO-UHFFFAOYSA-N 1 2 398.330 2.235 20 0 GEADLO CCOC(=O)COCC[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000562033578 532456513 /nfs/dbraw/zinc/45/65/13/532456513.db2.gz BNSDJPQEZKKHNT-UHFFFAOYSA-N 1 2 389.279 2.331 20 0 GEADLO CS[C@@H](C)CNC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000519370238 532461360 /nfs/dbraw/zinc/46/13/60/532461360.db2.gz YYTWPGXCMXBCQI-UONOGXRCSA-N 1 2 383.945 2.413 20 0 GEADLO C[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ncc(Br)cn1 ZINC000562400073 532465214 /nfs/dbraw/zinc/46/52/14/532465214.db2.gz CNJRAOWUCADLDH-NSHDSACASA-N 1 2 393.289 2.375 20 0 GEADLO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Br)cc(Cl)c2O)C1 ZINC000683914367 532467246 /nfs/dbraw/zinc/46/72/46/532467246.db2.gz WCXZLZQMYCSYPZ-HNNXBMFYSA-N 1 2 391.693 2.337 20 0 GEADLO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Br)cc(Cl)c2O)C1 ZINC000683914368 532467261 /nfs/dbraw/zinc/46/72/61/532467261.db2.gz WCXZLZQMYCSYPZ-OAHLLOKOSA-N 1 2 391.693 2.337 20 0 GEADLO CO[C@@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1)C(F)(F)F ZINC000651327990 532465789 /nfs/dbraw/zinc/46/57/89/532465789.db2.gz NVJLPWDMNWMXBD-OCCSQVGLSA-N 1 2 379.448 2.120 20 0 GEADLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000428833213 532463255 /nfs/dbraw/zinc/46/32/55/532463255.db2.gz IXWQAZAKFYHYJF-KBPBESRZSA-N 1 2 384.464 2.077 20 0 GEADLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000428833213 532463263 /nfs/dbraw/zinc/46/32/63/532463263.db2.gz IXWQAZAKFYHYJF-KBPBESRZSA-N 1 2 384.464 2.077 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1Cl ZINC000683945449 532469455 /nfs/dbraw/zinc/46/94/55/532469455.db2.gz SGNXKNMNBNYUJO-CQSZACIVSA-N 1 2 388.917 2.142 20 0 GEADLO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920161 532476813 /nfs/dbraw/zinc/47/68/13/532476813.db2.gz BJUVNVKGFFKVTE-ZYHUDNBSSA-N 1 2 391.693 2.317 20 0 GEADLO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920161 532476818 /nfs/dbraw/zinc/47/68/18/532476818.db2.gz BJUVNVKGFFKVTE-ZYHUDNBSSA-N 1 2 391.693 2.317 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(Br)ccc1OC(F)F ZINC000628912826 532476973 /nfs/dbraw/zinc/47/69/73/532476973.db2.gz JJAILRIWNZUECG-SNVBAGLBSA-N 1 2 379.201 2.111 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc(Br)ccc1OC(F)F ZINC000628912826 532476975 /nfs/dbraw/zinc/47/69/75/532476975.db2.gz JJAILRIWNZUECG-SNVBAGLBSA-N 1 2 379.201 2.111 20 0 GEADLO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000468842565 532477204 /nfs/dbraw/zinc/47/72/04/532477204.db2.gz FLCJNXLHEFPMMI-UHFFFAOYSA-N 1 2 397.444 2.424 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCc1cc(Cl)ccc1Br ZINC000628918514 532477809 /nfs/dbraw/zinc/47/78/09/532477809.db2.gz MYJCOGRVLQBRES-ZDUSSCGKSA-N 1 2 375.694 2.482 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCc1cc(Cl)ccc1Br ZINC000628918514 532477812 /nfs/dbraw/zinc/47/78/12/532477812.db2.gz MYJCOGRVLQBRES-ZDUSSCGKSA-N 1 2 375.694 2.482 20 0 GEADLO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)c1 ZINC000295804669 532478008 /nfs/dbraw/zinc/47/80/08/532478008.db2.gz BGUPCNKTELHPCG-OAHLLOKOSA-N 1 2 385.511 2.106 20 0 GEADLO Cc1ccc(I)c(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000195477555 532478479 /nfs/dbraw/zinc/47/84/79/532478479.db2.gz YWTPAZVYEAVYKY-LBPRGKRZSA-N 1 2 388.249 2.050 20 0 GEADLO O=C(COc1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000468876822 532479072 /nfs/dbraw/zinc/47/90/72/532479072.db2.gz IAUHCMGJDFFKEM-CYBMUJFWSA-N 1 2 380.794 2.176 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)Nc1ncnc2cc(I)sc21 ZINC000593454781 532482531 /nfs/dbraw/zinc/48/25/31/532482531.db2.gz KRKUZFRVWXOTHX-QMMMGPOBSA-N 1 2 385.234 2.993 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@H]1CCC[C@@H]1CCO ZINC000429759266 532483115 /nfs/dbraw/zinc/48/31/15/532483115.db2.gz PGICHANOEOHJIK-RISCZKNCSA-N 1 2 381.274 2.447 20 0 GEADLO O=C1[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C[C@H]2CCCCN12 ZINC000562805193 532483200 /nfs/dbraw/zinc/48/32/00/532483200.db2.gz NXVHCCDNHGUCST-HIFRSBDPSA-N 1 2 390.285 2.273 20 0 GEADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374019398 532484637 /nfs/dbraw/zinc/48/46/37/532484637.db2.gz SLGOFRZIJLFWNZ-PBFPGSCMSA-N 1 2 398.301 2.441 20 0 GEADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374019398 532484643 /nfs/dbraw/zinc/48/46/43/532484643.db2.gz SLGOFRZIJLFWNZ-PBFPGSCMSA-N 1 2 398.301 2.441 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000684836579 532484788 /nfs/dbraw/zinc/48/47/88/532484788.db2.gz QBOSTVJOUYNATG-LLVKDONJSA-N 1 2 394.273 2.410 20 0 GEADLO CC[C@H](Cn1cncn1)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000562839596 532484966 /nfs/dbraw/zinc/48/49/66/532484966.db2.gz URBQXCPZQHFYQB-CYBMUJFWSA-N 1 2 376.262 2.394 20 0 GEADLO CC[C@H](Cn1cncn1)[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000562839596 532484972 /nfs/dbraw/zinc/48/49/72/532484972.db2.gz URBQXCPZQHFYQB-CYBMUJFWSA-N 1 2 376.262 2.394 20 0 GEADLO O=C(C[NH2+]Cc1cc(Br)c(O)c(Br)c1)NC1CC1 ZINC000221798496 532485507 /nfs/dbraw/zinc/48/55/07/532485507.db2.gz WNGAGLDOPWSNGA-UHFFFAOYSA-N 1 2 378.064 2.285 20 0 GEADLO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NS(=O)(=O)c2cccs2)C1 ZINC000430061467 532488925 /nfs/dbraw/zinc/48/89/25/532488925.db2.gz QJQNCDVEBYPEOJ-AWEZNQCLSA-N 1 2 379.507 2.246 20 0 GEADLO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NS(=O)(=O)c2cccs2)C1 ZINC000430061467 532488932 /nfs/dbraw/zinc/48/89/32/532488932.db2.gz QJQNCDVEBYPEOJ-AWEZNQCLSA-N 1 2 379.507 2.246 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000520309268 532489116 /nfs/dbraw/zinc/48/91/16/532489116.db2.gz OUYRCKGODCESHC-UHFFFAOYSA-N 1 2 383.221 2.090 20 0 GEADLO Cc1ccc(-n2c(Cl)c(C[NH2+]CCCS(C)(=O)=O)nc2N(C)C)cc1 ZINC000282716665 532491415 /nfs/dbraw/zinc/49/14/15/532491415.db2.gz BURLUURROVTBBG-UHFFFAOYSA-N 1 2 384.933 2.424 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccc(Br)cc1 ZINC000629441840 532492290 /nfs/dbraw/zinc/49/22/90/532492290.db2.gz XXURJNRRHIFCBT-QGZVFWFLSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccc(Br)cc1 ZINC000629441840 532492294 /nfs/dbraw/zinc/49/22/94/532492294.db2.gz XXURJNRRHIFCBT-QGZVFWFLSA-N 1 2 390.281 2.475 20 0 GEADLO Cc1ccc(-n2c(Cl)c(C[NH2+][C@H](C)CS(C)(=O)=O)nc2N(C)C)cc1 ZINC000282792511 532495770 /nfs/dbraw/zinc/49/57/70/532495770.db2.gz MFNLIWGWOOCBRN-CYBMUJFWSA-N 1 2 384.933 2.423 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCc1cc(Cl)ccc1Br ZINC000628918187 532476371 /nfs/dbraw/zinc/47/63/71/532476371.db2.gz MYJCOGRVLQBRES-CYBMUJFWSA-N 1 2 375.694 2.482 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCc1cc(Cl)ccc1Br ZINC000628918187 532476376 /nfs/dbraw/zinc/47/63/76/532476376.db2.gz MYJCOGRVLQBRES-CYBMUJFWSA-N 1 2 375.694 2.482 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1Br ZINC000628917607 532476459 /nfs/dbraw/zinc/47/64/59/532476459.db2.gz ANNWUSSWMABZPX-GFCCVEGCSA-N 1 2 391.693 2.318 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1Br ZINC000628917607 532476464 /nfs/dbraw/zinc/47/64/64/532476464.db2.gz ANNWUSSWMABZPX-GFCCVEGCSA-N 1 2 391.693 2.318 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccccc1Br ZINC000282844236 532502259 /nfs/dbraw/zinc/50/22/59/532502259.db2.gz BFIXTAFXQDOQBL-BONVTDFDSA-N 1 2 379.258 2.097 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccccc1Br ZINC000282844236 532502264 /nfs/dbraw/zinc/50/22/64/532502264.db2.gz BFIXTAFXQDOQBL-BONVTDFDSA-N 1 2 379.258 2.097 20 0 GEADLO C[C@@H](CNC(=O)c1cc(Br)cc2nc[nH]c21)C[NH+]1CCOCC1 ZINC000282874462 532503357 /nfs/dbraw/zinc/50/33/57/532503357.db2.gz VKAKZUVLMQKFHV-NSHDSACASA-N 1 2 381.274 2.024 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000563444862 532505085 /nfs/dbraw/zinc/50/50/85/532505085.db2.gz RTOAUSRVHXLNPO-UHFFFAOYSA-N 1 2 381.230 2.168 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000563444862 532505091 /nfs/dbraw/zinc/50/50/91/532505091.db2.gz RTOAUSRVHXLNPO-UHFFFAOYSA-N 1 2 381.230 2.168 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000521065227 532505076 /nfs/dbraw/zinc/50/50/76/532505076.db2.gz NZFDFKLPKKOVAJ-CHWSQXEVSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000521065227 532505082 /nfs/dbraw/zinc/50/50/82/532505082.db2.gz NZFDFKLPKKOVAJ-CHWSQXEVSA-N 1 2 380.286 2.318 20 0 GEADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000563442885 532505397 /nfs/dbraw/zinc/50/53/97/532505397.db2.gz BOQNLFUIACDQPF-UHFFFAOYSA-N 1 2 378.230 2.042 20 0 GEADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000563442885 532505401 /nfs/dbraw/zinc/50/54/01/532505401.db2.gz BOQNLFUIACDQPF-UHFFFAOYSA-N 1 2 378.230 2.042 20 0 GEADLO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000237269462 532506096 /nfs/dbraw/zinc/50/60/96/532506096.db2.gz HBWWDZUBUKMIIL-OAHLLOKOSA-N 1 2 379.507 2.373 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000431100387 532506114 /nfs/dbraw/zinc/50/61/14/532506114.db2.gz VFLVZBSYEREJDW-VHSXEESVSA-N 1 2 392.257 2.016 20 0 GEADLO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ncc(Br)cn1 ZINC000431100704 532506304 /nfs/dbraw/zinc/50/63/04/532506304.db2.gz VZAMPJWXUOTRPM-WPRPVWTQSA-N 1 2 381.196 2.443 20 0 GEADLO Cc1cccc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1Br ZINC000469578579 532506440 /nfs/dbraw/zinc/50/64/40/532506440.db2.gz MOFNROYHRVSISO-GFCCVEGCSA-N 1 2 391.269 2.446 20 0 GEADLO CC[N@H+](CCc1cccs1)CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000521194514 532507531 /nfs/dbraw/zinc/50/75/31/532507531.db2.gz YBSXYSNIHZBIJK-INIZCTEOSA-N 1 2 386.583 2.284 20 0 GEADLO CC[N@@H+](CCc1cccs1)CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000521194514 532507535 /nfs/dbraw/zinc/50/75/35/532507535.db2.gz YBSXYSNIHZBIJK-INIZCTEOSA-N 1 2 386.583 2.284 20 0 GEADLO CSc1ccc([C@@H](CNC(=O)c2coc(S(C)(=O)=O)c2)[NH+](C)C)cc1 ZINC000652371743 532507947 /nfs/dbraw/zinc/50/79/47/532507947.db2.gz BEDZPHKIEDIPIL-OAHLLOKOSA-N 1 2 382.507 2.438 20 0 GEADLO CC1(C)[C@@H]([NH2+]Cc2nnc(S(C)(=O)=O)s2)C[C@@H]1OCc1ccccc1 ZINC000296362794 532516423 /nfs/dbraw/zinc/51/64/23/532516423.db2.gz SGKRSBZDDGSSQU-KBPBESRZSA-N 1 2 381.523 2.415 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000630396933 532516467 /nfs/dbraw/zinc/51/64/67/532516467.db2.gz SGSPXQPFLBNKCD-RISCZKNCSA-N 1 2 394.324 2.082 20 0 GEADLO [NH3+]C[C@H]1CCCN1C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000238039583 532517002 /nfs/dbraw/zinc/51/70/02/532517002.db2.gz XPMLOPNUVDUTII-OAHLLOKOSA-N 1 2 379.507 2.041 20 0 GEADLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000431601817 532517116 /nfs/dbraw/zinc/51/71/16/532517116.db2.gz FVMQZDSUVINSJV-UHFFFAOYSA-N 1 2 375.219 2.470 20 0 GEADLO O=C(N1CC[NH2+][C@H](c2cccnc2)C1)C1(c2cncc(Br)c2)CC1 ZINC000374375956 532499243 /nfs/dbraw/zinc/49/92/43/532499243.db2.gz VCRUIUSQDUWYJJ-INIZCTEOSA-N 1 2 387.281 2.444 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282859434 532501410 /nfs/dbraw/zinc/50/14/10/532501410.db2.gz OULKBHAMWKDJFS-CMPLNLGQSA-N 1 2 396.289 2.105 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000246272221 532536746 /nfs/dbraw/zinc/53/67/46/532536746.db2.gz HEQMQWQAWXWSIF-DLBZAZTESA-N 1 2 396.329 2.162 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000630948560 532536859 /nfs/dbraw/zinc/53/68/59/532536859.db2.gz HQFFMEXIOCZKED-QRVDHSFSSA-N 1 2 392.341 2.087 20 0 GEADLO COc1cccc([C@H](NS(=O)(=O)CCC(F)(F)F)c2[nH+]ccn2C)c1 ZINC000375133989 532537420 /nfs/dbraw/zinc/53/74/20/532537420.db2.gz WUDZGAMJEPWUOY-ZDUSSCGKSA-N 1 2 377.388 2.390 20 0 GEADLO Cc1nc(N2CCN(C(=O)Nc3ccnc(C)c3Br)CC2)cc[nH+]1 ZINC000526096553 532540502 /nfs/dbraw/zinc/54/05/02/532540502.db2.gz YPSSYBQHERKHEA-UHFFFAOYSA-N 1 2 391.273 2.027 20 0 GEADLO COC[C@H]1CCCN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000653698558 532541142 /nfs/dbraw/zinc/54/11/42/532541142.db2.gz USQGWXBMIPSWDG-GFCCVEGCSA-N 1 2 399.289 2.323 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000653698490 532541370 /nfs/dbraw/zinc/54/13/70/532541370.db2.gz GRFRRPABMWDGAI-TXEJJXNPSA-N 1 2 397.273 2.076 20 0 GEADLO CC1(C)NC(=O)N(CCC[N@@H+]2CCOc3cccc(Br)c3C2)C1=O ZINC000653836497 532542791 /nfs/dbraw/zinc/54/27/91/532542791.db2.gz CXGLYNJQHJOOPI-UHFFFAOYSA-N 1 2 396.285 2.364 20 0 GEADLO CC1(C)NC(=O)N(CCC[N@H+]2CCOc3cccc(Br)c3C2)C1=O ZINC000653836497 532542796 /nfs/dbraw/zinc/54/27/96/532542796.db2.gz CXGLYNJQHJOOPI-UHFFFAOYSA-N 1 2 396.285 2.364 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000565048305 532544012 /nfs/dbraw/zinc/54/40/12/532544012.db2.gz JYJPSTIQUXRXKN-XNJGSVPQSA-N 1 2 388.917 2.146 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000565048305 532544020 /nfs/dbraw/zinc/54/40/20/532544020.db2.gz JYJPSTIQUXRXKN-XNJGSVPQSA-N 1 2 388.917 2.146 20 0 GEADLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)Cc2ccc(Cl)nc2)C[C@@H](C)O1 ZINC000245200858 532519855 /nfs/dbraw/zinc/51/98/55/532519855.db2.gz VVKLZNFTQRZJME-IIAWOOMASA-N 1 2 387.933 2.138 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296407371 532520338 /nfs/dbraw/zinc/52/03/38/532520338.db2.gz KVDOFJBAJYBCAX-GFCCVEGCSA-N 1 2 384.889 2.148 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000470160686 532521906 /nfs/dbraw/zinc/52/19/06/532521906.db2.gz YXOWIDLSSGRXSA-UHFFFAOYSA-N 1 2 397.313 2.371 20 0 GEADLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000245707608 532523882 /nfs/dbraw/zinc/52/38/82/532523882.db2.gz YAJMOKFVEDRCFK-MZMPZRCHSA-N 1 2 397.313 2.194 20 0 GEADLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000245707608 532523891 /nfs/dbraw/zinc/52/38/91/532523891.db2.gz YAJMOKFVEDRCFK-MZMPZRCHSA-N 1 2 397.313 2.194 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)NC/C=C/c2ccc(Br)cc2)C1 ZINC000296514655 532526192 /nfs/dbraw/zinc/52/61/92/532526192.db2.gz CPICKZFEXWOJBK-QDLOVBKTSA-N 1 2 381.318 2.007 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC/C=C/c2ccc(Br)cc2)C1 ZINC000296514655 532526194 /nfs/dbraw/zinc/52/61/94/532526194.db2.gz CPICKZFEXWOJBK-QDLOVBKTSA-N 1 2 381.318 2.007 20 0 GEADLO COc1cc(Br)c(C(=O)NCC2([NH+]3CCOCC3)CC2)cc1OC ZINC000296554373 532527892 /nfs/dbraw/zinc/52/78/92/532527892.db2.gz CCEPLQIHGPNZMO-UHFFFAOYSA-N 1 2 399.285 2.061 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)CCOc2cccc(Br)c2)CCO1 ZINC000470453885 532528411 /nfs/dbraw/zinc/52/84/11/532528411.db2.gz YISHVFMQSPLKFF-HNNXBMFYSA-N 1 2 385.302 2.445 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)CCOc2cccc(Br)c2)CCO1 ZINC000470453885 532528417 /nfs/dbraw/zinc/52/84/17/532528417.db2.gz YISHVFMQSPLKFF-HNNXBMFYSA-N 1 2 385.302 2.445 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)COc2ccc(F)cc2Br)CCO1 ZINC000470436105 532528680 /nfs/dbraw/zinc/52/86/80/532528680.db2.gz AXODELCMDVHYFQ-CYBMUJFWSA-N 1 2 389.265 2.194 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)COc2ccc(F)cc2Br)CCO1 ZINC000470436105 532528685 /nfs/dbraw/zinc/52/86/85/532528685.db2.gz AXODELCMDVHYFQ-CYBMUJFWSA-N 1 2 389.265 2.194 20 0 GEADLO O=C(COc1ccc(Br)cn1)NCCc1cn2c([nH+]1)CCCC2 ZINC000630701064 532528730 /nfs/dbraw/zinc/52/87/30/532528730.db2.gz VIQCITMJGGGEPK-UHFFFAOYSA-N 1 2 379.258 2.115 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)COc2ccc(Br)cc2F)CCO1 ZINC000470453331 532528942 /nfs/dbraw/zinc/52/89/42/532528942.db2.gz MNCLOGWRDBYGBQ-ZDUSSCGKSA-N 1 2 389.265 2.194 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)COc2ccc(Br)cc2F)CCO1 ZINC000470453331 532528949 /nfs/dbraw/zinc/52/89/49/532528949.db2.gz MNCLOGWRDBYGBQ-ZDUSSCGKSA-N 1 2 389.265 2.194 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)CCO1 ZINC000470448970 532529157 /nfs/dbraw/zinc/52/91/57/532529157.db2.gz WQIQSMWMCNGJOF-CYBMUJFWSA-N 1 2 399.285 2.061 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)CCO1 ZINC000470448970 532529163 /nfs/dbraw/zinc/52/91/63/532529163.db2.gz WQIQSMWMCNGJOF-CYBMUJFWSA-N 1 2 399.285 2.061 20 0 GEADLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246092961 532530030 /nfs/dbraw/zinc/53/00/30/532530030.db2.gz NWQFQGPGOCBEPN-ZWNOBZJWSA-N 1 2 375.416 2.498 20 0 GEADLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246092961 532530041 /nfs/dbraw/zinc/53/00/41/532530041.db2.gz NWQFQGPGOCBEPN-ZWNOBZJWSA-N 1 2 375.416 2.498 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2cscc2Br)C1=O ZINC000564747699 532530557 /nfs/dbraw/zinc/53/05/57/532530557.db2.gz WTXBJCBKQKALQT-GFCCVEGCSA-N 1 2 397.298 2.165 20 0 GEADLO O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@H]1CCC[NH2+]CC1 ZINC000653099958 532532691 /nfs/dbraw/zinc/53/26/91/532532691.db2.gz DSKQMXBTQGJRLM-LBPRGKRZSA-N 1 2 380.495 2.272 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CCO1 ZINC000630879936 532532859 /nfs/dbraw/zinc/53/28/59/532532859.db2.gz OVDSGKWRQRTXHY-GLZXHMCRSA-N 1 2 379.298 2.172 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CCO1 ZINC000630879936 532532865 /nfs/dbraw/zinc/53/28/65/532532865.db2.gz OVDSGKWRQRTXHY-GLZXHMCRSA-N 1 2 379.298 2.172 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000375115778 532534206 /nfs/dbraw/zinc/53/42/06/532534206.db2.gz WBIMQRANEMEDIY-NSHDSACASA-N 1 2 383.857 2.038 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246252502 532534768 /nfs/dbraw/zinc/53/47/68/532534768.db2.gz GTZPZZGUVBEBPU-XFBWCDHKSA-N 1 2 376.881 2.180 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246252502 532534773 /nfs/dbraw/zinc/53/47/73/532534773.db2.gz GTZPZZGUVBEBPU-XFBWCDHKSA-N 1 2 376.881 2.180 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296894544 532552052 /nfs/dbraw/zinc/55/20/52/532552052.db2.gz VNLDVLOMCWITEH-ZDUSSCGKSA-N 1 2 384.274 2.469 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296894544 532552057 /nfs/dbraw/zinc/55/20/57/532552057.db2.gz VNLDVLOMCWITEH-ZDUSSCGKSA-N 1 2 384.274 2.469 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000565183116 532552435 /nfs/dbraw/zinc/55/24/35/532552435.db2.gz UKWKKJYXVWJQRO-GFCCVEGCSA-N 1 2 378.274 2.095 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000565183116 532552439 /nfs/dbraw/zinc/55/24/39/532552439.db2.gz UKWKKJYXVWJQRO-GFCCVEGCSA-N 1 2 378.274 2.095 20 0 GEADLO COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000432996941 532552545 /nfs/dbraw/zinc/55/25/45/532552545.db2.gz IVEBTGNVUZWSHJ-LBPRGKRZSA-N 1 2 393.285 2.257 20 0 GEADLO CN(C)c1cc(NC(=O)[C@H]2CCCN2c2ncccn2)[nH+]cc1Br ZINC000654183585 532552999 /nfs/dbraw/zinc/55/29/99/532552999.db2.gz KNTGWFFETQEBCE-GFCCVEGCSA-N 1 2 391.273 2.308 20 0 GEADLO COCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000433010944 532553339 /nfs/dbraw/zinc/55/33/39/532553339.db2.gz ZMDDCQRCYUWBHV-GFCCVEGCSA-N 1 2 393.285 2.353 20 0 GEADLO COc1c(Br)cccc1C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000375392969 532554712 /nfs/dbraw/zinc/55/47/12/532554712.db2.gz MJRRRMKVSAGAQH-ZDUSSCGKSA-N 1 2 391.331 2.360 20 0 GEADLO COc1c(Br)cccc1C[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000375392969 532554719 /nfs/dbraw/zinc/55/47/19/532554719.db2.gz MJRRRMKVSAGAQH-ZDUSSCGKSA-N 1 2 391.331 2.360 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]C[C@H](n2cncn2)C(F)(F)F)c2cc(F)ccc21 ZINC000631687506 532555354 /nfs/dbraw/zinc/55/53/54/532555354.db2.gz FOJREHCVBOTMCQ-AAEUAGOBSA-N 1 2 378.351 2.029 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000471646102 532555366 /nfs/dbraw/zinc/55/53/66/532555366.db2.gz SYDGPPYMPZKURW-BBRMVZONSA-N 1 2 384.929 2.368 20 0 GEADLO CCN1CCN(C(=O)COc2cccc(Br)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433109246 532555875 /nfs/dbraw/zinc/55/58/75/532555875.db2.gz DCGBBPLOQJTARU-OAHLLOKOSA-N 1 2 393.285 2.456 20 0 GEADLO Cc1csc([C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C(F)(F)F)n1 ZINC000296956723 532555979 /nfs/dbraw/zinc/55/59/79/532555979.db2.gz JYWFTDHZFRBAKP-WOPDTQHZSA-N 1 2 378.420 2.169 20 0 GEADLO Cc1csc([C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C(F)(F)F)n1 ZINC000296956723 532555983 /nfs/dbraw/zinc/55/59/83/532555983.db2.gz JYWFTDHZFRBAKP-WOPDTQHZSA-N 1 2 378.420 2.169 20 0 GEADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000375416049 532556201 /nfs/dbraw/zinc/55/62/01/532556201.db2.gz QULPDZPWIVBTEI-DGCLKSJQSA-N 1 2 391.269 2.254 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000249060027 532558343 /nfs/dbraw/zinc/55/83/43/532558343.db2.gz PNEBEFCYRBZGRA-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000249060027 532558351 /nfs/dbraw/zinc/55/83/51/532558351.db2.gz PNEBEFCYRBZGRA-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[S@@](=O)C1 ZINC000433244576 532559537 /nfs/dbraw/zinc/55/95/37/532559537.db2.gz GCWSGRNDDKSSAD-MHLYXQECSA-N 1 2 394.306 2.028 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC[S@@](=O)C1 ZINC000433244576 532559539 /nfs/dbraw/zinc/55/95/39/532559539.db2.gz GCWSGRNDDKSSAD-MHLYXQECSA-N 1 2 394.306 2.028 20 0 GEADLO C[C@]1(Br)C[C@@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000528266329 532561145 /nfs/dbraw/zinc/56/11/45/532561145.db2.gz JFFJIJSRWIHKAU-QAPCUYQASA-N 1 2 397.313 2.187 20 0 GEADLO CCN1CCN(C(=O)c2ccc(Br)c(O)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433474865 532570054 /nfs/dbraw/zinc/57/00/54/532570054.db2.gz MOAKUTMGBFVMJB-ZDUSSCGKSA-N 1 2 379.258 2.397 20 0 GEADLO Fc1cc(Br)cnc1CN1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000631827314 532564387 /nfs/dbraw/zinc/56/43/87/532564387.db2.gz LHQJZAAETDALCH-UHFFFAOYSA-N 1 2 395.280 2.058 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccccc1OC(F)F ZINC000433360977 532565023 /nfs/dbraw/zinc/56/50/23/532565023.db2.gz LTDCBFVORAHHLA-UHFFFAOYSA-N 1 2 378.441 2.019 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccccc1OC(F)F ZINC000433360977 532565028 /nfs/dbraw/zinc/56/50/28/532565028.db2.gz LTDCBFVORAHHLA-UHFFFAOYSA-N 1 2 378.441 2.019 20 0 GEADLO COCc1ncsc1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000283898031 532565856 /nfs/dbraw/zinc/56/58/56/532565856.db2.gz KLKBGCWZDNSVMN-UHFFFAOYSA-N 1 2 381.420 2.016 20 0 GEADLO O=C(NCCc1ccc(I)cc1)NCCn1cc[nH+]c1 ZINC000595546540 532566705 /nfs/dbraw/zinc/56/67/05/532566705.db2.gz KNBWDTGXLRKZOA-UHFFFAOYSA-N 1 2 384.221 2.030 20 0 GEADLO CS(=O)(=O)c1cc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)co1 ZINC000528514198 532569342 /nfs/dbraw/zinc/56/93/42/532569342.db2.gz YOWGHTUSEONSMY-CYBMUJFWSA-N 1 2 392.246 2.408 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)NCC(F)(F)F ZINC000249653214 532569472 /nfs/dbraw/zinc/56/94/72/532569472.db2.gz YUPBSLSNUCLDBH-NHAGDIPZSA-N 1 2 379.448 2.129 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)NCC(F)(F)F ZINC000249653214 532569481 /nfs/dbraw/zinc/56/94/81/532569481.db2.gz YUPBSLSNUCLDBH-NHAGDIPZSA-N 1 2 379.448 2.129 20 0 GEADLO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1c(Br)cnn1C ZINC000631209615 532547955 /nfs/dbraw/zinc/54/79/55/532547955.db2.gz QGBZKFKGWSDADZ-UHFFFAOYSA-N 1 2 396.211 2.455 20 0 GEADLO O=C(C[NH2+]Cc1ccncc1Br)Nc1ccc2c(c1)OCCO2 ZINC000631186017 532548169 /nfs/dbraw/zinc/54/81/69/532548169.db2.gz RXXNHOAPDPBQRG-UHFFFAOYSA-N 1 2 378.226 2.344 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000565080124 532548882 /nfs/dbraw/zinc/54/88/82/532548882.db2.gz UKVQEJKJHYDZAI-SECBINFHSA-N 1 2 394.686 2.422 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000565080124 532548887 /nfs/dbraw/zinc/54/88/87/532548887.db2.gz UKVQEJKJHYDZAI-SECBINFHSA-N 1 2 394.686 2.422 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cccc(I)c2)C1 ZINC000375308624 532549171 /nfs/dbraw/zinc/54/91/71/532549171.db2.gz JHJYWCZEVWVNSU-CQSZACIVSA-N 1 2 385.249 2.281 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cccc(I)c2)C1 ZINC000375308624 532549177 /nfs/dbraw/zinc/54/91/77/532549177.db2.gz JHJYWCZEVWVNSU-CQSZACIVSA-N 1 2 385.249 2.281 20 0 GEADLO COc1cc(OC)c(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1Cl ZINC000528790329 532583231 /nfs/dbraw/zinc/58/32/31/532583231.db2.gz ZQZOMQGKFKQAKX-PUXAFBORSA-N 1 2 386.901 2.281 20 0 GEADLO COc1cc(OC)c(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1Cl ZINC000528790329 532583239 /nfs/dbraw/zinc/58/32/39/532583239.db2.gz ZQZOMQGKFKQAKX-PUXAFBORSA-N 1 2 386.901 2.281 20 0 GEADLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCOC(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000632161307 532583597 /nfs/dbraw/zinc/58/35/97/532583597.db2.gz WCVLYKRKBXUUPN-HZPDHXFCSA-N 1 2 376.469 2.445 20 0 GEADLO C[N@H+]1CC[C@@H](NS(=O)(=O)CCOC(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000632161307 532583602 /nfs/dbraw/zinc/58/36/02/532583602.db2.gz WCVLYKRKBXUUPN-HZPDHXFCSA-N 1 2 376.469 2.445 20 0 GEADLO Nc1ncc(C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)s1 ZINC000262079713 532584631 /nfs/dbraw/zinc/58/46/31/532584631.db2.gz SZEXCUXKNUHPMR-UHFFFAOYSA-N 1 2 381.299 2.446 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C1(S(=O)(=O)c2ccccc2)CC1)c1ccsc1 ZINC000596071987 532585213 /nfs/dbraw/zinc/58/52/13/532585213.db2.gz FLPIAJUPIKWXQO-MRXNPFEDSA-N 1 2 378.519 2.474 20 0 GEADLO Brc1cc(CNc2cc(N3CCOCC3)nc[nH+]2)cc2c1OCO2 ZINC000434076646 532587103 /nfs/dbraw/zinc/58/71/03/532587103.db2.gz JELOVVZDBLKKPY-UHFFFAOYSA-N 1 2 393.241 2.417 20 0 GEADLO Brc1cc(CNc2cc(N3CCOCC3)[nH+]cn2)cc2c1OCO2 ZINC000434076646 532587113 /nfs/dbraw/zinc/58/71/13/532587113.db2.gz JELOVVZDBLKKPY-UHFFFAOYSA-N 1 2 393.241 2.417 20 0 GEADLO Brc1ccc2nc(CNc3cc(N4CCOCC4)nc[nH+]3)cn2c1 ZINC000434094852 532587698 /nfs/dbraw/zinc/58/76/98/532587698.db2.gz BKVLGCHIHCCFGJ-UHFFFAOYSA-N 1 2 389.257 2.336 20 0 GEADLO CCN1CCN(C(=O)c2cc(O)cc(Br)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000529093726 532590931 /nfs/dbraw/zinc/59/09/31/532590931.db2.gz BTJQDMMVHPKLFQ-AWEZNQCLSA-N 1 2 379.258 2.397 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2csc(CO)n2)c2ccc(Cl)cc2)C1 ZINC000632222496 532591606 /nfs/dbraw/zinc/59/16/06/532591606.db2.gz ADCOQRNAIOTHCF-HOCLYGCPSA-N 1 2 381.885 2.091 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2csc(CO)n2)c2ccc(Cl)cc2)C1 ZINC000632222496 532591609 /nfs/dbraw/zinc/59/16/09/532591609.db2.gz ADCOQRNAIOTHCF-HOCLYGCPSA-N 1 2 381.885 2.091 20 0 GEADLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@]2(CCCOC2)O1 ZINC000376016718 532592138 /nfs/dbraw/zinc/59/21/38/532592138.db2.gz YLOARANYXXRCHW-RHSMWYFYSA-N 1 2 398.301 2.443 20 0 GEADLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@]2(CCCOC2)O1 ZINC000376016718 532592145 /nfs/dbraw/zinc/59/21/45/532592145.db2.gz YLOARANYXXRCHW-RHSMWYFYSA-N 1 2 398.301 2.443 20 0 GEADLO COCC[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CCS(=O)(=O)C1 ZINC000434507026 532594067 /nfs/dbraw/zinc/59/40/67/532594067.db2.gz XUZXKFVLFLFNKD-NSHDSACASA-N 1 2 382.345 2.394 20 0 GEADLO COCC[N@H+](Cc1cc(Br)cs1)C[C@@H]1CCS(=O)(=O)C1 ZINC000434507026 532594075 /nfs/dbraw/zinc/59/40/75/532594075.db2.gz XUZXKFVLFLFNKD-NSHDSACASA-N 1 2 382.345 2.394 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000631962691 532570771 /nfs/dbraw/zinc/57/07/71/532570771.db2.gz OKBFGIALRVAEEB-IINYFYTJSA-N 1 2 379.309 2.231 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000631962691 532570778 /nfs/dbraw/zinc/57/07/78/532570778.db2.gz OKBFGIALRVAEEB-IINYFYTJSA-N 1 2 379.309 2.231 20 0 GEADLO Cc1ccc(CC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1Br ZINC000473577293 532595165 /nfs/dbraw/zinc/59/51/65/532595165.db2.gz SVFBTEQTMARUPM-UHFFFAOYSA-N 1 2 391.313 2.378 20 0 GEADLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000595772953 532573340 /nfs/dbraw/zinc/57/33/40/532573340.db2.gz KXUYVZGSXLSXJZ-DOMZBBRYSA-N 1 2 378.238 2.070 20 0 GEADLO Cc1[nH+]ccc(NS(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c1Br ZINC000565705506 532573554 /nfs/dbraw/zinc/57/35/54/532573554.db2.gz PAXLHTMHYSRCPM-VIFPVBQESA-N 1 2 385.287 2.469 20 0 GEADLO Cc1c(Br)cc(C(=O)NCCc2cn3ccccc3[nH+]2)c(=O)n1C ZINC000433565065 532573931 /nfs/dbraw/zinc/57/39/31/532573931.db2.gz MGJYWRRERFGVBB-UHFFFAOYSA-N 1 2 389.253 2.076 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2noc(-c3cccc(Cl)c3)n2)CC1 ZINC000375666877 532574124 /nfs/dbraw/zinc/57/41/24/532574124.db2.gz XXEOFSGVRMDVEE-UHFFFAOYSA-N 1 2 384.889 2.151 20 0 GEADLO Cc1csc([C@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C(F)(F)F)n1 ZINC000297217219 532574632 /nfs/dbraw/zinc/57/46/32/532574632.db2.gz VWNCRIKEVLUBEO-UTUOFQBUSA-N 1 2 380.436 2.463 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1 ZINC000565760187 532575789 /nfs/dbraw/zinc/57/57/89/532575789.db2.gz XDOCMSCBWWTYRS-KRWDZBQOSA-N 1 2 376.869 2.361 20 0 GEADLO COCC[N@@H+](Cc1ccc(Br)s1)C[C@H]1CCS(=O)(=O)C1 ZINC000434503704 532595319 /nfs/dbraw/zinc/59/53/19/532595319.db2.gz IXBMBZVTGWKPDM-LLVKDONJSA-N 1 2 382.345 2.394 20 0 GEADLO COCC[N@H+](Cc1ccc(Br)s1)C[C@H]1CCS(=O)(=O)C1 ZINC000434503704 532595325 /nfs/dbraw/zinc/59/53/25/532595325.db2.gz IXBMBZVTGWKPDM-LLVKDONJSA-N 1 2 382.345 2.394 20 0 GEADLO O=S(=O)(c1ccc(Br)s1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261735514 532577427 /nfs/dbraw/zinc/57/74/27/532577427.db2.gz OSLIJDAZQGLGBF-NSHDSACASA-N 1 2 388.312 2.241 20 0 GEADLO CC(=O)NCC(=O)N1CCC[N@@H+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC000528729217 532578398 /nfs/dbraw/zinc/57/83/98/532578398.db2.gz JRRXTONXPGMWSI-CYBMUJFWSA-N 1 2 382.302 2.181 20 0 GEADLO CC(=O)NCC(=O)N1CCC[N@H+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC000528729217 532578402 /nfs/dbraw/zinc/57/84/02/532578402.db2.gz JRRXTONXPGMWSI-CYBMUJFWSA-N 1 2 382.302 2.181 20 0 GEADLO O=S(=O)(CCNc1cc(N2CCSCC2)nc[nH+]1)c1ccc(F)cc1 ZINC000433766983 532578746 /nfs/dbraw/zinc/57/87/46/532578746.db2.gz QKWLLONVAQSPCS-UHFFFAOYSA-N 1 2 382.486 2.055 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccncc1Br)C(C)(C)CO ZINC000297292042 532578811 /nfs/dbraw/zinc/57/88/11/532578811.db2.gz ANVYJQMVGCZOLH-GFCCVEGCSA-N 1 2 382.262 2.459 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)Cc3cc(F)ccc3Br)CC2)cn1 ZINC000433736724 532578909 /nfs/dbraw/zinc/57/89/09/532578909.db2.gz IFTXBVSPPQUHEQ-UHFFFAOYSA-N 1 2 395.276 2.209 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000376488092 532614434 /nfs/dbraw/zinc/61/44/34/532614434.db2.gz ZNKQHBBUIBEUPT-OAHLLOKOSA-N 1 2 389.253 2.086 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cncc(Br)c2)C1 ZINC000376488092 532614440 /nfs/dbraw/zinc/61/44/40/532614440.db2.gz ZNKQHBBUIBEUPT-OAHLLOKOSA-N 1 2 389.253 2.086 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1 ZINC000284737865 532614916 /nfs/dbraw/zinc/61/49/16/532614916.db2.gz KSZOLWJMAFBXMR-IINYFYTJSA-N 1 2 392.308 2.313 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1 ZINC000284737865 532614921 /nfs/dbraw/zinc/61/49/21/532614921.db2.gz KSZOLWJMAFBXMR-IINYFYTJSA-N 1 2 392.308 2.313 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000632500656 532615029 /nfs/dbraw/zinc/61/50/29/532615029.db2.gz APJZDTJCDNMMNZ-CVEARBPZSA-N 1 2 390.908 2.398 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)C(=O)NCCCc2c(Cl)cccc2Cl)c1 ZINC000656337617 532615093 /nfs/dbraw/zinc/61/50/93/532615093.db2.gz NOUARFFGWOOLHV-UHFFFAOYSA-N 1 2 383.279 2.135 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000632500803 532615190 /nfs/dbraw/zinc/61/51/90/532615190.db2.gz DHFSMXNVOVCMOT-CVEARBPZSA-N 1 2 388.917 2.126 20 0 GEADLO CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000632501638 532615712 /nfs/dbraw/zinc/61/57/12/532615712.db2.gz FENMBAVQOKFRFL-ZIAGYGMSSA-N 1 2 382.517 2.477 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)CCc1cccc(Cl)c1 ZINC000632501399 532615793 /nfs/dbraw/zinc/61/57/93/532615793.db2.gz BKGBYTZYBUQDJW-DLBZAZTESA-N 1 2 386.945 2.301 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)sc1Cl ZINC000632501099 532616019 /nfs/dbraw/zinc/61/60/19/532616019.db2.gz IVRYJRHUQLMJMB-RYUDHWBXSA-N 1 2 378.947 2.488 20 0 GEADLO CN(Cc1[nH+]ccn1Cc1ccccc1)S(=O)(=O)c1c(Cl)cnn1C ZINC000566539169 532616232 /nfs/dbraw/zinc/61/62/32/532616232.db2.gz UWXYELRWIIABSK-UHFFFAOYSA-N 1 2 379.873 2.139 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2ccc3ncsc3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632502555 532616431 /nfs/dbraw/zinc/61/64/31/532616431.db2.gz WUJAUFAPSWQTMR-CVEARBPZSA-N 1 2 381.523 2.074 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)Cc2cc(F)ccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000632503083 532617285 /nfs/dbraw/zinc/61/72/85/532617285.db2.gz VADCFMARVOPTFL-CVEARBPZSA-N 1 2 390.908 2.398 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2cnc3ccsc3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632502951 532617333 /nfs/dbraw/zinc/61/73/33/532617333.db2.gz ZWXJLJJECHHSMT-CVEARBPZSA-N 1 2 381.523 2.074 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)c2ccc(Cl)c(F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000632502043 532617372 /nfs/dbraw/zinc/61/73/72/532617372.db2.gz JHVXTTUBNZBMDB-GJZGRUSLSA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000632502954 532617526 /nfs/dbraw/zinc/61/75/26/532617526.db2.gz ZWXJLJJECHHSMT-JKSUJKDBSA-N 1 2 381.523 2.074 20 0 GEADLO CCOCC[NH+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000435446209 532618417 /nfs/dbraw/zinc/61/84/17/532618417.db2.gz YXJMHBOIEWTGRU-UHFFFAOYSA-N 1 2 385.288 2.475 20 0 GEADLO COc1ccc(Br)cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284783409 532620666 /nfs/dbraw/zinc/62/06/66/532620666.db2.gz KRGLNJWABCABCO-ZFWWWQNUSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(Br)cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284783409 532620670 /nfs/dbraw/zinc/62/06/70/532620670.db2.gz KRGLNJWABCABCO-ZFWWWQNUSA-N 1 2 384.274 2.395 20 0 GEADLO Cc1ccn2cc(CNC(=O)Nc3cc(Br)c(=O)n(C)c3)[nH+]c2c1 ZINC000435603184 532622250 /nfs/dbraw/zinc/62/22/50/532622250.db2.gz ZATMJJPWXOPDOT-UHFFFAOYSA-N 1 2 390.241 2.426 20 0 GEADLO Cc1csc(NC(=O)C2CC[NH+](CC(=O)N(C)c3nccs3)CC2)n1 ZINC000376604015 532620780 /nfs/dbraw/zinc/62/07/80/532620780.db2.gz KBMKPMGKJFBIKM-UHFFFAOYSA-N 1 2 379.511 2.222 20 0 GEADLO C[N@H+](CC1=CCCOC1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000656479929 532621083 /nfs/dbraw/zinc/62/10/83/532621083.db2.gz WLIFVUGGPBPPDL-OAHLLOKOSA-N 1 2 379.254 2.360 20 0 GEADLO C[N@@H+](CC1=CCCOC1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000656479929 532621084 /nfs/dbraw/zinc/62/10/84/532621084.db2.gz WLIFVUGGPBPPDL-OAHLLOKOSA-N 1 2 379.254 2.360 20 0 GEADLO O=C(NCC1CC1)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000530469510 532621365 /nfs/dbraw/zinc/62/13/65/532621365.db2.gz JICROLRICCJAFT-UHFFFAOYSA-N 1 2 384.307 2.206 20 0 GEADLO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000434666592 532598279 /nfs/dbraw/zinc/59/82/79/532598279.db2.gz TZQFLZCBLIZDFZ-QWHCGFSZSA-N 1 2 379.507 2.371 20 0 GEADLO Cc1c(Br)ccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)c1F ZINC000434686186 532600198 /nfs/dbraw/zinc/60/01/98/532600198.db2.gz UFNAYINJKSXJRL-UHFFFAOYSA-N 1 2 395.232 2.458 20 0 GEADLO COC[C@H](C)CS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000474597774 532621525 /nfs/dbraw/zinc/62/15/25/532621525.db2.gz VJEJLRGMXJUCML-ZDUSSCGKSA-N 1 2 376.469 2.131 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnc(Br)c(Cl)c1 ZINC000284572529 532602281 /nfs/dbraw/zinc/60/22/81/532602281.db2.gz FUDJFCONWAFMFD-SNVBAGLBSA-N 1 2 376.682 2.290 20 0 GEADLO O=C(C[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)N1CCc2sccc2C1 ZINC000376311821 532605020 /nfs/dbraw/zinc/60/50/20/532605020.db2.gz PZCNKANJFUGXKT-OAHLLOKOSA-N 1 2 376.503 2.141 20 0 GEADLO C[C@H]1C[C@H](NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC[NH2+]1 ZINC000262893721 532605330 /nfs/dbraw/zinc/60/53/30/532605330.db2.gz OUDIMRWUFRPJSE-GXTWGEPZSA-N 1 2 379.507 2.419 20 0 GEADLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2cc(=O)n(C)cn2)CC1 ZINC000656129252 532605397 /nfs/dbraw/zinc/60/53/97/532605397.db2.gz ZUGDYAPHGHIFRD-CYBMUJFWSA-N 1 2 377.286 2.426 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(F)c(Br)c1)C2 ZINC000566343415 532606091 /nfs/dbraw/zinc/60/60/91/532606091.db2.gz SNUBTBHNHKVGKA-LBPRGKRZSA-N 1 2 396.260 2.373 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ncc(Br)cc1F ZINC000529524146 532607225 /nfs/dbraw/zinc/60/72/25/532607225.db2.gz MEXHGNDZGVGQEY-LBPRGKRZSA-N 1 2 394.310 2.277 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ncc(Br)cc1F ZINC000529524146 532607231 /nfs/dbraw/zinc/60/72/31/532607231.db2.gz MEXHGNDZGVGQEY-LBPRGKRZSA-N 1 2 394.310 2.277 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262927186 532608192 /nfs/dbraw/zinc/60/81/92/532608192.db2.gz HMRGQPILJILFBQ-LBPRGKRZSA-N 1 2 390.228 2.152 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000566450887 532609908 /nfs/dbraw/zinc/60/99/08/532609908.db2.gz LWCXLUJUDHCLLN-HZMBPMFUSA-N 1 2 379.258 2.036 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000566450887 532609910 /nfs/dbraw/zinc/60/99/10/532609910.db2.gz LWCXLUJUDHCLLN-HZMBPMFUSA-N 1 2 379.258 2.036 20 0 GEADLO CNC(=O)NC[C@@H]1C[N@H+](Cc2cc3cc(Br)ccc3o2)CCO1 ZINC000529640659 532610056 /nfs/dbraw/zinc/61/00/56/532610056.db2.gz CMGVOXOXVOZWAZ-CQSZACIVSA-N 1 2 382.258 2.325 20 0 GEADLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2cc3cc(Br)ccc3o2)CCO1 ZINC000529640659 532610062 /nfs/dbraw/zinc/61/00/62/532610062.db2.gz CMGVOXOXVOZWAZ-CQSZACIVSA-N 1 2 382.258 2.325 20 0 GEADLO CNC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)c1ccccc1 ZINC000284691430 532610174 /nfs/dbraw/zinc/61/01/74/532610174.db2.gz HYZZYEAUTZUNRT-UNEWFSDZSA-N 1 2 384.307 2.106 20 0 GEADLO CNC(=O)[C@H](NC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)c1ccccc1 ZINC000284691430 532610181 /nfs/dbraw/zinc/61/01/81/532610181.db2.gz HYZZYEAUTZUNRT-UNEWFSDZSA-N 1 2 384.307 2.106 20 0 GEADLO Cc1sccc1C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000297911904 532611787 /nfs/dbraw/zinc/61/17/87/532611787.db2.gz SSYDKVLVACOKDM-UHFFFAOYSA-N 1 2 379.507 2.245 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000474341873 532612903 /nfs/dbraw/zinc/61/29/03/532612903.db2.gz MFIZVCLFRULPAZ-RISCZKNCSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000474341873 532612908 /nfs/dbraw/zinc/61/29/08/532612908.db2.gz MFIZVCLFRULPAZ-RISCZKNCSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435333999 532613374 /nfs/dbraw/zinc/61/33/74/532613374.db2.gz VMAGMAUQMIKLCO-AWEZNQCLSA-N 1 2 383.901 2.246 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)CSc2n[nH]c(=O)[nH]2)[C@@H]1c1cccc(Cl)c1 ZINC000376670848 532624251 /nfs/dbraw/zinc/62/42/51/532624251.db2.gz HZWRQRXEMFQGFJ-RISCZKNCSA-N 1 2 381.889 2.065 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)CSc2n[nH]c(=O)[nH]2)[C@@H]1c1cccc(Cl)c1 ZINC000376670848 532624257 /nfs/dbraw/zinc/62/42/57/532624257.db2.gz HZWRQRXEMFQGFJ-RISCZKNCSA-N 1 2 381.889 2.065 20 0 GEADLO Ic1ccc(CN2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000530780290 532628601 /nfs/dbraw/zinc/62/86/01/532628601.db2.gz GVHFPPYGEBWIIH-UHFFFAOYSA-N 1 2 382.249 2.332 20 0 GEADLO Cn1ncc2c1nc(NCCc1c[nH]c3ccc(Br)cc13)[nH+]c2N ZINC000436344402 532631719 /nfs/dbraw/zinc/63/17/19/532631719.db2.gz SAYAVGXBXSMAAI-UHFFFAOYSA-N 1 2 386.257 2.266 20 0 GEADLO Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)CC2 ZINC000632623620 532632614 /nfs/dbraw/zinc/63/26/14/532632614.db2.gz RBHGDMRJTNDZME-UHFFFAOYSA-N 1 2 391.269 2.024 20 0 GEADLO CO[C@H](c1ccc(Br)cc1)[C@@H](C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000436414884 532632866 /nfs/dbraw/zinc/63/28/66/532632866.db2.gz QGRIQRXQLFPBET-RNCFNFMXSA-N 1 2 391.273 2.896 20 0 GEADLO COCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000656868041 532634821 /nfs/dbraw/zinc/63/48/21/532634821.db2.gz PAJLUXWZBYXYLN-UHFFFAOYSA-N 1 2 397.722 2.055 20 0 GEADLO COC(=O)[C@H]([NH2+][C@H](C)CCc1ccc(I)cc1)[C@H](C)O ZINC000475091920 532636297 /nfs/dbraw/zinc/63/62/97/532636297.db2.gz KLOHKRBRBTVPGO-UHIISALHSA-N 1 2 391.249 2.124 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000377050490 532638219 /nfs/dbraw/zinc/63/82/19/532638219.db2.gz KJUCUZNMFQNWDC-CQSZACIVSA-N 1 2 381.278 2.279 20 0 GEADLO Cn1ccnc1CN1CCC[C@H]([NH2+]Cc2cccc(O)c2Br)C1=O ZINC000567086971 532639976 /nfs/dbraw/zinc/63/99/76/532639976.db2.gz VGOJIWIPUHXRCD-ZDUSSCGKSA-N 1 2 393.285 2.169 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)c3ccncc3)CC2)cs1 ZINC000656899552 532641469 /nfs/dbraw/zinc/64/14/69/532641469.db2.gz RMFBBVROFCTDPN-UHFFFAOYSA-N 1 2 380.539 2.291 20 0 GEADLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1 ZINC000531919125 532642299 /nfs/dbraw/zinc/64/22/99/532642299.db2.gz DOGPBSZPBJPKBQ-HOTGVXAUSA-N 1 2 395.297 2.391 20 0 GEADLO Cc1nc(S(=O)(=O)NCC(C)(C)n2cc[nH+]c2)sc1Br ZINC000632733244 532642643 /nfs/dbraw/zinc/64/26/43/532642643.db2.gz RXJSONYYXOVOHD-UHFFFAOYSA-N 1 2 379.305 2.124 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1C1CC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000377547495 532661260 /nfs/dbraw/zinc/66/12/60/532661260.db2.gz YQBKJORBYBPNFU-RDJZCZTQSA-N 1 2 382.551 2.138 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1C1CC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000377547495 532661267 /nfs/dbraw/zinc/66/12/67/532661267.db2.gz YQBKJORBYBPNFU-RDJZCZTQSA-N 1 2 382.551 2.138 20 0 GEADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000437896743 532663694 /nfs/dbraw/zinc/66/36/94/532663694.db2.gz PZCMNPGRYCBOSE-KGLIPLIRSA-N 1 2 386.480 2.321 20 0 GEADLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000437896743 532663702 /nfs/dbraw/zinc/66/37/02/532663702.db2.gz PZCMNPGRYCBOSE-KGLIPLIRSA-N 1 2 386.480 2.321 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1)N1CCOCC1 ZINC000437791232 532663911 /nfs/dbraw/zinc/66/39/11/532663911.db2.gz ZDAZSCAYJOVXLB-OAHLLOKOSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1)N1CCOCC1 ZINC000437791232 532663916 /nfs/dbraw/zinc/66/39/16/532663916.db2.gz ZDAZSCAYJOVXLB-OAHLLOKOSA-N 1 2 376.881 2.106 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000298628809 532664066 /nfs/dbraw/zinc/66/40/66/532664066.db2.gz UIINJDKKJFTVOI-UHFFFAOYSA-N 1 2 399.314 2.214 20 0 GEADLO Cc1nc(NC[C@H](C)c2nccs2)nc(NC[C@@H](C)c2nccs2)[nH+]1 ZINC000480362274 532664133 /nfs/dbraw/zinc/66/41/33/532664133.db2.gz YQPNNAVQCFPPFY-PHIMTYICSA-N 1 2 375.527 2.368 20 0 GEADLO Cc1nc(NC[C@@H](C)c2nccs2)nc(NC[C@H](C)c2nccs2)[nH+]1 ZINC000480362274 532664140 /nfs/dbraw/zinc/66/41/40/532664140.db2.gz YQPNNAVQCFPPFY-PHIMTYICSA-N 1 2 375.527 2.368 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000533492044 532664741 /nfs/dbraw/zinc/66/47/41/532664741.db2.gz DGXJTMURSXZVAQ-CQSZACIVSA-N 1 2 385.249 2.281 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ccc(I)cc2)C1 ZINC000533492044 532664748 /nfs/dbraw/zinc/66/47/48/532664748.db2.gz DGXJTMURSXZVAQ-CQSZACIVSA-N 1 2 385.249 2.281 20 0 GEADLO C[C@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)[C@H](C)[NH+]1CCOCC1 ZINC000264175541 532665664 /nfs/dbraw/zinc/66/56/64/532665664.db2.gz AKEXTFQFMLETGY-RYUDHWBXSA-N 1 2 399.285 2.059 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000534093318 532668489 /nfs/dbraw/zinc/66/84/89/532668489.db2.gz JMQTYZUXAHAPMF-SKDRFNHKSA-N 1 2 386.235 2.384 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000534093318 532668497 /nfs/dbraw/zinc/66/84/97/532668497.db2.gz JMQTYZUXAHAPMF-SKDRFNHKSA-N 1 2 386.235 2.384 20 0 GEADLO C[C@@H](NC(=O)c1ccccc1I)[C@@H](C)[NH+]1CCOCC1 ZINC000264285518 532668656 /nfs/dbraw/zinc/66/86/56/532668656.db2.gz PQAMLKVSCKTWHM-VXGBXAGGSA-N 1 2 388.249 2.130 20 0 GEADLO Cn1ncc(Br)c1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000632851025 532647704 /nfs/dbraw/zinc/64/77/04/532647704.db2.gz LPKJMTZHELJTSW-UHFFFAOYSA-N 1 2 393.289 2.177 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(F)c(Cl)c3)C[C@H]21 ZINC000285101886 532648268 /nfs/dbraw/zinc/64/82/68/532648268.db2.gz HGPXSVWUYVRIHD-OLZOCXBDSA-N 1 2 390.242 2.003 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(F)c(Cl)c3)C[C@H]21 ZINC000285101886 532648269 /nfs/dbraw/zinc/64/82/69/532648269.db2.gz HGPXSVWUYVRIHD-OLZOCXBDSA-N 1 2 390.242 2.003 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000298425829 532649611 /nfs/dbraw/zinc/64/96/11/532649611.db2.gz WTABXLAZMFCGJL-OAHLLOKOSA-N 1 2 381.274 2.411 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000477346213 532650108 /nfs/dbraw/zinc/65/01/08/532650108.db2.gz CKBVIHNJDWJQGI-UHFFFAOYSA-N 1 2 388.295 2.170 20 0 GEADLO CC(C)CS(=O)(=O)N1CCCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000437218766 532653199 /nfs/dbraw/zinc/65/31/99/532653199.db2.gz FBGRNYIQXUXTBD-UHFFFAOYSA-N 1 2 384.933 2.481 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000285152292 532653296 /nfs/dbraw/zinc/65/32/96/532653296.db2.gz XPZZBNUQDAWQPH-UHFFFAOYSA-N 1 2 380.242 2.409 20 0 GEADLO C[C@@H](C(=O)NCc1cccs1)S(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437245185 532653328 /nfs/dbraw/zinc/65/33/28/532653328.db2.gz IYRQCZCOAAJCCL-JTQLQIEISA-N 1 2 395.428 2.127 20 0 GEADLO Cc1ccc(Br)c(C(=O)N2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1 ZINC000377350332 532654042 /nfs/dbraw/zinc/65/40/42/532654042.db2.gz LCQNCWNRZILOSZ-UHFFFAOYSA-N 1 2 394.313 2.136 20 0 GEADLO Cc1ccc(Br)c(C(=O)N2CCC(N3CC[N@H+](C)CC3=O)CC2)c1 ZINC000377350332 532654047 /nfs/dbraw/zinc/65/40/47/532654047.db2.gz LCQNCWNRZILOSZ-UHFFFAOYSA-N 1 2 394.313 2.136 20 0 GEADLO CC(C)N(C(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F)C(C)C ZINC000437250708 532654286 /nfs/dbraw/zinc/65/42/86/532654286.db2.gz XYQVCDACYSPMHN-GFCCVEGCSA-N 1 2 383.436 2.394 20 0 GEADLO O=C(c1cc(CO)on1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000633010807 532657098 /nfs/dbraw/zinc/65/70/98/532657098.db2.gz IENLWMQXPMMWKR-UHFFFAOYSA-N 1 2 395.213 2.062 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000298545038 532657895 /nfs/dbraw/zinc/65/78/95/532657895.db2.gz CFZBOOLNNJBNHC-SWLSCSKDSA-N 1 2 376.316 2.239 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000298545038 532657897 /nfs/dbraw/zinc/65/78/97/532657897.db2.gz CFZBOOLNNJBNHC-SWLSCSKDSA-N 1 2 376.316 2.239 20 0 GEADLO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1nnc(S(C)(=O)=O)s1 ZINC000285226506 532659119 /nfs/dbraw/zinc/65/91/19/532659119.db2.gz XVAFZBJXBRKDAF-AWEZNQCLSA-N 1 2 390.918 2.327 20 0 GEADLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000532970902 532659442 /nfs/dbraw/zinc/65/94/42/532659442.db2.gz AHXYIEMHUNQIJR-NEPJUHHUSA-N 1 2 378.416 2.399 20 0 GEADLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000532970902 532659449 /nfs/dbraw/zinc/65/94/49/532659449.db2.gz AHXYIEMHUNQIJR-NEPJUHHUSA-N 1 2 378.416 2.399 20 0 GEADLO Cc1cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)c(C)c[nH+]1 ZINC000378217437 532684130 /nfs/dbraw/zinc/68/41/30/532684130.db2.gz DSVLSDMVAYUOTD-OAHLLOKOSA-N 1 2 379.507 2.364 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000285500225 532686321 /nfs/dbraw/zinc/68/63/21/532686321.db2.gz QBJMQWBORMLWNW-UHFFFAOYSA-N 1 2 379.295 2.349 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@H]1C ZINC000534289480 532671200 /nfs/dbraw/zinc/67/12/00/532671200.db2.gz NACACGIOVAEEBC-VXGBXAGGSA-N 1 2 385.917 2.328 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@H]1C ZINC000534289480 532671206 /nfs/dbraw/zinc/67/12/06/532671206.db2.gz NACACGIOVAEEBC-VXGBXAGGSA-N 1 2 385.917 2.328 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000264411192 532672222 /nfs/dbraw/zinc/67/22/22/532672222.db2.gz HUKJBFFMSXGMQY-AWEZNQCLSA-N 1 2 380.330 2.233 20 0 GEADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000568326735 532675513 /nfs/dbraw/zinc/67/55/13/532675513.db2.gz RCYDTDKGUPIJSU-CQSZACIVSA-N 1 2 381.263 2.280 20 0 GEADLO O=C(c1[nH]nc(C2CC2)c1Br)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000600404836 532675817 /nfs/dbraw/zinc/67/58/17/532675817.db2.gz VOSSPDLHLFFRHQ-ZDUSSCGKSA-N 1 2 397.317 2.377 20 0 GEADLO CC1(C)CN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[C@H]1O ZINC000483275167 532675829 /nfs/dbraw/zinc/67/58/29/532675829.db2.gz CNHDMBIOUPMZHV-CYBMUJFWSA-N 1 2 381.274 2.399 20 0 GEADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000264638352 532677859 /nfs/dbraw/zinc/67/78/59/532677859.db2.gz ULYMHXLUHDKHEV-SMDDNHRTSA-N 1 2 378.416 2.246 20 0 GEADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000264638352 532677866 /nfs/dbraw/zinc/67/78/66/532677866.db2.gz ULYMHXLUHDKHEV-SMDDNHRTSA-N 1 2 378.416 2.246 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000285434894 532678321 /nfs/dbraw/zinc/67/83/21/532678321.db2.gz KWGWSLCYTKZJJO-UHFFFAOYSA-N 1 2 394.324 2.193 20 0 GEADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[NH+]1CC(C)C1 ZINC000568529603 532679570 /nfs/dbraw/zinc/67/95/70/532679570.db2.gz NJXHFSMWCCMUAD-GFCCVEGCSA-N 1 2 380.495 2.223 20 0 GEADLO CS(=O)(=O)CCCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000264892872 532681280 /nfs/dbraw/zinc/68/12/80/532681280.db2.gz SUZLRGSSJBKEGU-INIZCTEOSA-N 1 2 387.933 2.211 20 0 GEADLO CCc1nocc1C[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639208850 532691555 /nfs/dbraw/zinc/69/15/55/532691555.db2.gz FJPUXXBYRIJBNW-UHFFFAOYSA-N 1 2 388.287 2.279 20 0 GEADLO CCc1nocc1C[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639208850 532691559 /nfs/dbraw/zinc/69/15/59/532691559.db2.gz FJPUXXBYRIJBNW-UHFFFAOYSA-N 1 2 388.287 2.279 20 0 GEADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439434683 532692030 /nfs/dbraw/zinc/69/20/30/532692030.db2.gz FCKZXMQXYQVLNX-ZFWWWQNUSA-N 1 2 399.264 2.294 20 0 GEADLO Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439434683 532692036 /nfs/dbraw/zinc/69/20/36/532692036.db2.gz FCKZXMQXYQVLNX-ZFWWWQNUSA-N 1 2 399.264 2.294 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000536573500 532693280 /nfs/dbraw/zinc/69/32/80/532693280.db2.gz VPSRBPYHAHPEPN-AWEZNQCLSA-N 1 2 380.432 2.480 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000536573500 532693284 /nfs/dbraw/zinc/69/32/84/532693284.db2.gz VPSRBPYHAHPEPN-AWEZNQCLSA-N 1 2 380.432 2.480 20 0 GEADLO COC(=O)C1([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCCC1 ZINC000439455858 532694006 /nfs/dbraw/zinc/69/40/06/532694006.db2.gz WGQNZZLCWWPPGH-CYBMUJFWSA-N 1 2 390.249 2.403 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000299100091 532694356 /nfs/dbraw/zinc/69/43/56/532694356.db2.gz VFUCHJITIYQJJP-CHWSQXEVSA-N 1 2 391.269 2.203 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000378413542 532694623 /nfs/dbraw/zinc/69/46/23/532694623.db2.gz VPVMUMBYXSYGNT-AWEZNQCLSA-N 1 2 382.873 2.291 20 0 GEADLO CSC[C@H]1CCC[N@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000569305237 532695424 /nfs/dbraw/zinc/69/54/24/532695424.db2.gz AENKHMJRLVOYID-RDJZCZTQSA-N 1 2 388.599 2.020 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000569664556 532702959 /nfs/dbraw/zinc/70/29/59/532702959.db2.gz FHWVAAQFSDNJJI-GPCCPHFNSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000569664556 532702964 /nfs/dbraw/zinc/70/29/64/532702964.db2.gz FHWVAAQFSDNJJI-GPCCPHFNSA-N 1 2 380.794 2.361 20 0 GEADLO CSC[C@H]1CCC[N@@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000569305237 532695429 /nfs/dbraw/zinc/69/54/29/532695429.db2.gz AENKHMJRLVOYID-RDJZCZTQSA-N 1 2 388.599 2.020 20 0 GEADLO O=C(Cn1cc(CC[NH+]2CCOCC2)nn1)Nc1cccc(Cl)c1Cl ZINC000640764876 532696936 /nfs/dbraw/zinc/69/69/36/532696936.db2.gz YAJRNIIQRNCQKP-UHFFFAOYSA-N 1 2 384.267 2.098 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cnc(Br)c(Cl)c1 ZINC000285704104 532698981 /nfs/dbraw/zinc/69/89/81/532698981.db2.gz HPCALFBYJLCNHI-CMPLNLGQSA-N 1 2 388.693 2.433 20 0 GEADLO Cc1cccn2cc(CS(=O)(=O)C[C@@H](O)COCc3cccs3)[nH+]c12 ZINC000299153289 532699134 /nfs/dbraw/zinc/69/91/34/532699134.db2.gz GVSJFCGBWBZOGR-HNNXBMFYSA-N 1 2 380.491 2.197 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000569550085 532699138 /nfs/dbraw/zinc/69/91/38/532699138.db2.gz RFMFQIOMTPNZAP-STQMWFEESA-N 1 2 378.947 2.259 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)[C@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536906192 532699300 /nfs/dbraw/zinc/69/93/00/532699300.db2.gz RSMXKQOJJJVKMG-RCBQFDQVSA-N 1 2 376.881 2.323 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)[C@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536906192 532699307 /nfs/dbraw/zinc/69/93/07/532699307.db2.gz RSMXKQOJJJVKMG-RCBQFDQVSA-N 1 2 376.881 2.323 20 0 GEADLO Cn1c[nH+]c2cc(Nc3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)ccc21 ZINC000439705342 532699695 /nfs/dbraw/zinc/69/96/95/532699695.db2.gz HVHTUTWHJWEQGB-UHFFFAOYSA-N 1 2 379.463 2.124 20 0 GEADLO Cc1ccc(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c(C)c1 ZINC000439781567 532701665 /nfs/dbraw/zinc/70/16/65/532701665.db2.gz MGWMPHPOIHRYEF-UHFFFAOYSA-N 1 2 379.448 2.254 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000569656354 532702760 /nfs/dbraw/zinc/70/27/60/532702760.db2.gz MKPLAZXEADHKKS-UHFFFAOYSA-N 1 2 376.770 2.399 20 0 GEADLO C[C@H](C[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)c1ccccc1 ZINC000439286358 532687816 /nfs/dbraw/zinc/68/78/16/532687816.db2.gz MKJLEHIPINEBIO-CYBMUJFWSA-N 1 2 379.448 2.241 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000265053815 532687915 /nfs/dbraw/zinc/68/79/15/532687915.db2.gz VDSVTRGVXLJNCG-CQSZACIVSA-N 1 2 385.555 2.180 20 0 GEADLO Cc1cc(NC(=O)NC[C@@H](O)COc2ccccc2Br)c(C)c[nH+]1 ZINC000535772892 532688056 /nfs/dbraw/zinc/68/80/56/532688056.db2.gz XQBIBVZBTNVZPM-CYBMUJFWSA-N 1 2 394.269 2.444 20 0 GEADLO O[C@@H]1CCC[C@H]1CNc1nc[nH+]c(NC[C@@H]2CCC[C@H]2O)c1Br ZINC000663987671 532688211 /nfs/dbraw/zinc/68/82/11/532688211.db2.gz ZPLTWBKHIFCLSB-WUHRBBMRSA-N 1 2 385.306 2.385 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000663992091 532688840 /nfs/dbraw/zinc/68/88/40/532688840.db2.gz VSCGDMAZHIQLCT-SWLSCSKDSA-N 1 2 390.311 2.389 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000663992091 532688848 /nfs/dbraw/zinc/68/88/48/532688848.db2.gz VSCGDMAZHIQLCT-SWLSCSKDSA-N 1 2 390.311 2.389 20 0 GEADLO COC[C@H]1C[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000439280047 532689114 /nfs/dbraw/zinc/68/91/14/532689114.db2.gz CQYBFRWMCYNCJG-GXTWGEPZSA-N 1 2 375.296 2.388 20 0 GEADLO COC[C@H]1C[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000439280047 532689123 /nfs/dbraw/zinc/68/91/23/532689123.db2.gz CQYBFRWMCYNCJG-GXTWGEPZSA-N 1 2 375.296 2.388 20 0 GEADLO NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1Cl ZINC000639104995 532689578 /nfs/dbraw/zinc/68/95/78/532689578.db2.gz HONUVVRHEDRCSB-GWCFXTLKSA-N 1 2 386.823 2.123 20 0 GEADLO NS(=O)(=O)c1cc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1Cl ZINC000639104995 532689582 /nfs/dbraw/zinc/68/95/82/532689582.db2.gz HONUVVRHEDRCSB-GWCFXTLKSA-N 1 2 386.823 2.123 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1Cl ZINC000486615261 532691011 /nfs/dbraw/zinc/69/10/11/532691011.db2.gz CNLQSQGZVLIYMV-HNNXBMFYSA-N 1 2 391.896 2.398 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1Cl ZINC000486615261 532691016 /nfs/dbraw/zinc/69/10/16/532691016.db2.gz CNLQSQGZVLIYMV-HNNXBMFYSA-N 1 2 391.896 2.398 20 0 GEADLO NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2cncc(Br)c2)CC1 ZINC000266127154 532703466 /nfs/dbraw/zinc/70/34/66/532703466.db2.gz BSFOFJPKQBORHS-MRXNPFEDSA-N 1 2 375.270 2.193 20 0 GEADLO O=C(C[N@@H+]1CCO[C@]2(CCSC2)C1)NCCc1nc2ccccc2s1 ZINC000569689389 532704418 /nfs/dbraw/zinc/70/44/18/532704418.db2.gz IDEMSVDWCULGOC-GOSISDBHSA-N 1 2 377.535 2.163 20 0 GEADLO O=C(C[N@H+]1CCO[C@]2(CCSC2)C1)NCCc1nc2ccccc2s1 ZINC000569689389 532704420 /nfs/dbraw/zinc/70/44/20/532704420.db2.gz IDEMSVDWCULGOC-GOSISDBHSA-N 1 2 377.535 2.163 20 0 GEADLO O=C(N1CC[NH+](C2CC2)CC1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000537244249 532705001 /nfs/dbraw/zinc/70/50/01/532705001.db2.gz USVOTKOZANNZAB-UHFFFAOYSA-N 1 2 377.282 2.356 20 0 GEADLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1Cl ZINC000440067556 532705209 /nfs/dbraw/zinc/70/52/09/532705209.db2.gz FSJQTZLUDBLSRE-WDEREUQCSA-N 1 2 381.325 2.377 20 0 GEADLO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1Cl ZINC000440067556 532705216 /nfs/dbraw/zinc/70/52/16/532705216.db2.gz FSJQTZLUDBLSRE-WDEREUQCSA-N 1 2 381.325 2.377 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cscc2Br)[C@H](C)C1 ZINC000285776706 532706396 /nfs/dbraw/zinc/70/63/96/532706396.db2.gz JUFWBVZZBQBIFU-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cscc2Br)[C@H](C)C1 ZINC000285776706 532706401 /nfs/dbraw/zinc/70/64/01/532706401.db2.gz JUFWBVZZBQBIFU-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1)c1ccc(Br)cc1 ZINC000391100370 532707241 /nfs/dbraw/zinc/70/72/41/532707241.db2.gz UUOCDLNAXCEOQW-IUODEOHRSA-N 1 2 385.302 2.098 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1)c1ccc(Br)cc1 ZINC000391100370 532707247 /nfs/dbraw/zinc/70/72/47/532707247.db2.gz UUOCDLNAXCEOQW-IUODEOHRSA-N 1 2 385.302 2.098 20 0 GEADLO Cc1c(Br)cncc1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000667872736 532708904 /nfs/dbraw/zinc/70/89/04/532708904.db2.gz JKZTWCJEJPHPHD-UHFFFAOYSA-N 1 2 382.262 2.262 20 0 GEADLO Cc1c(C(=O)N2CC[NH+](C3CC3)CC2)nnn1-c1cccc(Br)c1 ZINC000299318039 532710852 /nfs/dbraw/zinc/71/08/52/532710852.db2.gz DBZZTQXBUYUMSO-UHFFFAOYSA-N 1 2 390.285 2.258 20 0 GEADLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccc(Br)cc1O ZINC000299323575 532711118 /nfs/dbraw/zinc/71/11/18/532711118.db2.gz NTQRFZCKNPPPAP-UHFFFAOYSA-N 1 2 392.253 2.316 20 0 GEADLO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(Br)c3O)C2)CC1 ZINC000538745611 532717160 /nfs/dbraw/zinc/71/71/60/532717160.db2.gz KBQXDQYKBXKCKS-ZDUSSCGKSA-N 1 2 382.302 2.007 20 0 GEADLO Cn1cc(Br)cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1=O ZINC000408401774 532717757 /nfs/dbraw/zinc/71/77/57/532717757.db2.gz DWYAZATVTKKKPA-UHFFFAOYSA-N 1 2 380.246 2.282 20 0 GEADLO CC[C@@](C)([NH2+]CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)c1nccs1 ZINC000440703848 532722403 /nfs/dbraw/zinc/72/24/03/532722403.db2.gz JLKYDNIBORROSG-RHSMWYFYSA-N 1 2 387.571 2.030 20 0 GEADLO CCn1cnc2c(c1=O)CC[N@H+](C[C@H](O)c1cccc(Br)c1)C2 ZINC000285976203 532722680 /nfs/dbraw/zinc/72/26/80/532722680.db2.gz FACKBADAJNYZIN-INIZCTEOSA-N 1 2 378.270 2.117 20 0 GEADLO CCn1cnc2c(c1=O)CC[N@@H+](C[C@H](O)c1cccc(Br)c1)C2 ZINC000285976203 532722685 /nfs/dbraw/zinc/72/26/85/532722685.db2.gz FACKBADAJNYZIN-INIZCTEOSA-N 1 2 378.270 2.117 20 0 GEADLO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2ncnn2C)C1=O ZINC000671658875 532724080 /nfs/dbraw/zinc/72/40/80/532724080.db2.gz NCBKPGXCDDEFKM-AWEZNQCLSA-N 1 2 392.301 2.480 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)c2sccc2S(N)(=O)=O)[C@H]1c1ccc(Cl)cc1 ZINC000613108728 532726901 /nfs/dbraw/zinc/72/69/01/532726901.db2.gz VNZDRCWAONIWTC-TZMCWYRMSA-N 1 2 399.925 2.224 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2sccc2S(N)(=O)=O)[C@H]1c1ccc(Cl)cc1 ZINC000613108728 532726908 /nfs/dbraw/zinc/72/69/08/532726908.db2.gz VNZDRCWAONIWTC-TZMCWYRMSA-N 1 2 399.925 2.224 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000286077145 532727018 /nfs/dbraw/zinc/72/70/18/532727018.db2.gz SEOPRCQZONOTBS-MRRJBJDNSA-N 1 2 387.293 2.417 20 0 GEADLO COC[C@H](OC)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000613156170 532727951 /nfs/dbraw/zinc/72/79/51/532727951.db2.gz XLBYVNHCRJPSSK-INIZCTEOSA-N 1 2 375.296 2.342 20 0 GEADLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000577055734 532730338 /nfs/dbraw/zinc/73/03/38/532730338.db2.gz ACYRTIIAIFCSJC-CYBMUJFWSA-N 1 2 385.917 2.330 20 0 GEADLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000577055734 532730342 /nfs/dbraw/zinc/73/03/42/532730342.db2.gz ACYRTIIAIFCSJC-CYBMUJFWSA-N 1 2 385.917 2.330 20 0 GEADLO NS(=O)(=O)c1ccc(C(=O)NCCCCNc2cccc[nH+]2)c(Cl)c1 ZINC000539448187 532730386 /nfs/dbraw/zinc/73/03/86/532730386.db2.gz NXTWAHKBKRWOTN-UHFFFAOYSA-N 1 2 382.873 2.005 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CC(=O)Nc1ccccc1Br ZINC000286144445 532731520 /nfs/dbraw/zinc/73/15/20/532731520.db2.gz VRJWSNGYGNBUIS-ZIAGYGMSSA-N 1 2 382.302 2.183 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000266973938 532731954 /nfs/dbraw/zinc/73/19/54/532731954.db2.gz APHJLDQBVOWCNS-PBHICJAKSA-N 1 2 386.945 2.491 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000266973938 532731958 /nfs/dbraw/zinc/73/19/58/532731958.db2.gz APHJLDQBVOWCNS-PBHICJAKSA-N 1 2 386.945 2.491 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645647448 532718986 /nfs/dbraw/zinc/71/89/86/532718986.db2.gz MMPDUBLRUPLBJK-UHFFFAOYSA-N 1 2 383.779 2.493 20 0 GEADLO CN(C)C(=O)NCC[N@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000538809816 532719149 /nfs/dbraw/zinc/71/91/49/532719149.db2.gz IMYPXAOAOYJQDM-UHFFFAOYSA-N 1 2 382.262 2.202 20 0 GEADLO CN(C)C(=O)NCC[N@@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000538809816 532719160 /nfs/dbraw/zinc/71/91/60/532719160.db2.gz IMYPXAOAOYJQDM-UHFFFAOYSA-N 1 2 382.262 2.202 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCNC(=O)N(C)C)c(Br)c1 ZINC000538811092 532719512 /nfs/dbraw/zinc/71/95/12/532719512.db2.gz TYFALGMPWMEVLR-LBPRGKRZSA-N 1 2 385.306 2.288 20 0 GEADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)N(C)C)c(Br)c1 ZINC000538811092 532719515 /nfs/dbraw/zinc/71/95/15/532719515.db2.gz TYFALGMPWMEVLR-LBPRGKRZSA-N 1 2 385.306 2.288 20 0 GEADLO O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676388565 532742304 /nfs/dbraw/zinc/74/23/04/532742304.db2.gz OHZZXJCKQVTODL-INIZCTEOSA-N 1 2 393.281 2.158 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000301176891 532742871 /nfs/dbraw/zinc/74/28/71/532742871.db2.gz XDJMYDZEXOWZRQ-JTQLQIEISA-N 1 2 387.241 2.343 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000267509452 532744099 /nfs/dbraw/zinc/74/40/99/532744099.db2.gz YXDFLXQDVSRWRQ-UHFFFAOYSA-N 1 2 387.253 2.002 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCSC[C@@H](C)C2)CC1 ZINC000410956957 532744569 /nfs/dbraw/zinc/74/45/69/532744569.db2.gz MKZJURSYSMTPRG-LSDHHAIUSA-N 1 2 381.567 2.165 20 0 GEADLO CCSCC[C@@H](C)N(C)C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000410926424 532744779 /nfs/dbraw/zinc/74/47/79/532744779.db2.gz GEJPHOQVWOUCPW-OAHLLOKOSA-N 1 2 383.583 2.382 20 0 GEADLO CN(C)c1nc(CNC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cs1 ZINC000673881332 532734104 /nfs/dbraw/zinc/73/41/04/532734104.db2.gz GSAXLHYSTLOUSW-UHFFFAOYSA-N 1 2 376.408 2.310 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1)N1CCOCC1 ZINC000501132763 532736560 /nfs/dbraw/zinc/73/65/60/532736560.db2.gz HKIGGGATPGFMEO-CYBMUJFWSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1)N1CCOCC1 ZINC000501132763 532736569 /nfs/dbraw/zinc/73/65/69/532736569.db2.gz HKIGGGATPGFMEO-CYBMUJFWSA-N 1 2 376.881 2.106 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000674891239 532737945 /nfs/dbraw/zinc/73/79/45/532737945.db2.gz SKMKRCIXDKPROH-YPMHNXCESA-N 1 2 382.511 2.237 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000501191660 532739850 /nfs/dbraw/zinc/73/98/50/532739850.db2.gz JPOQVCAVAVFEOR-UHFFFAOYSA-N 1 2 391.331 2.481 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000501191660 532739854 /nfs/dbraw/zinc/73/98/54/532739854.db2.gz JPOQVCAVAVFEOR-UHFFFAOYSA-N 1 2 391.331 2.481 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000410415299 532740136 /nfs/dbraw/zinc/74/01/36/532740136.db2.gz VCYZGAYUASYYMX-INIZCTEOSA-N 1 2 382.346 2.287 20 0 GEADLO C[C@H]1COCC[N@H+]1CCN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000410415299 532740140 /nfs/dbraw/zinc/74/01/40/532740140.db2.gz VCYZGAYUASYYMX-INIZCTEOSA-N 1 2 382.346 2.287 20 0 GEADLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000579316885 532740261 /nfs/dbraw/zinc/74/02/61/532740261.db2.gz FMVUCQFNAIOLEP-SNVBAGLBSA-N 1 2 382.873 2.481 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)Cn2cc(Cl)cn2)c2ccc(Cl)cc2)C1 ZINC000502855348 532741995 /nfs/dbraw/zinc/74/19/95/532741995.db2.gz KPDOGBMTZNJJCC-RDJZCZTQSA-N 1 2 383.279 2.378 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)Cn2cc(Cl)cn2)c2ccc(Cl)cc2)C1 ZINC000502855348 532742000 /nfs/dbraw/zinc/74/20/00/532742000.db2.gz KPDOGBMTZNJJCC-RDJZCZTQSA-N 1 2 383.279 2.378 20 0 GEADLO Cc1cccc(Br)c1C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000581343551 532754684 /nfs/dbraw/zinc/75/46/84/532754684.db2.gz WKTHJIXTXRIBIC-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCN3CCOC[C@H]3C2)ccc1Br ZINC000541700175 532758031 /nfs/dbraw/zinc/75/80/31/532758031.db2.gz JIKFUAUQBTWKLW-DZGCQCFKSA-N 1 2 382.302 2.101 20 0 GEADLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCN3CCOC[C@H]3C2)ccc1Br ZINC000541700175 532758033 /nfs/dbraw/zinc/75/80/33/532758033.db2.gz JIKFUAUQBTWKLW-DZGCQCFKSA-N 1 2 382.302 2.101 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000581927825 532759426 /nfs/dbraw/zinc/75/94/26/532759426.db2.gz RQJFGYBJEWYFJP-MCIONIFRSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000581927825 532759433 /nfs/dbraw/zinc/75/94/33/532759433.db2.gz RQJFGYBJEWYFJP-MCIONIFRSA-N 1 2 383.286 2.196 20 0 GEADLO CN1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC1=O ZINC000619059454 532759956 /nfs/dbraw/zinc/75/99/56/532759956.db2.gz PVLAECOWUFFTHZ-QGZVFWFLSA-N 1 2 394.313 2.277 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000268292939 532760819 /nfs/dbraw/zinc/76/08/19/532760819.db2.gz VICSGPKMUDSBFT-AAEUAGOBSA-N 1 2 385.287 2.312 20 0 GEADLO CNS(=O)(=O)c1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)s1 ZINC000301878907 532762201 /nfs/dbraw/zinc/76/22/01/532762201.db2.gz JMEAFDUOARRULN-UHFFFAOYSA-N 1 2 380.499 2.163 20 0 GEADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Br)c2)n1C ZINC000508610282 532762637 /nfs/dbraw/zinc/76/26/37/532762637.db2.gz OELCSAWRIDZQBN-UHFFFAOYSA-N 1 2 380.290 2.013 20 0 GEADLO O=C(C[NH+]1CCN(c2ccc3cc(Br)ccc3n2)CC1)NC1CC1 ZINC000301338230 532748904 /nfs/dbraw/zinc/74/89/04/532748904.db2.gz DZWBJZLYBYILDB-UHFFFAOYSA-N 1 2 389.297 2.398 20 0 GEADLO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000505850723 532750816 /nfs/dbraw/zinc/75/08/16/532750816.db2.gz IMOCOOCJSWCAKF-QWHCGFSZSA-N 1 2 379.507 2.371 20 0 GEADLO CCC[C@H](CNC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1)c1ccc(Cl)cc1Cl ZINC000444707566 532751047 /nfs/dbraw/zinc/75/10/47/532751047.db2.gz YMTGRWGRYNKKPF-HFBAOOFYSA-N 1 2 375.296 2.031 20 0 GEADLO CC(C)(C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)n1cccn1 ZINC000616149377 532751233 /nfs/dbraw/zinc/75/12/33/532751233.db2.gz XPVJNVHQGKIHHZ-UHFFFAOYSA-N 1 2 394.273 2.251 20 0 GEADLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000411257145 532751340 /nfs/dbraw/zinc/75/13/40/532751340.db2.gz JWXDSNPHJQFYKN-BXUZGUMPSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411257145 532751345 /nfs/dbraw/zinc/75/13/45/532751345.db2.gz JWXDSNPHJQFYKN-BXUZGUMPSA-N 1 2 385.258 2.040 20 0 GEADLO C[S@](=O)Cc1cccc(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)c1 ZINC000267855033 532751628 /nfs/dbraw/zinc/75/16/28/532751628.db2.gz DHGKJJJRECPRMT-VWLOTQADSA-N 1 2 379.551 2.204 20 0 GEADLO NC(=O)CN1CC[NH+](Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000506247253 532752182 /nfs/dbraw/zinc/75/21/82/532752182.db2.gz IYZBYIMBRWPUNZ-UHFFFAOYSA-N 1 2 395.326 2.176 20 0 GEADLO CN(C)c1cc(NC(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)[nH+]cc1Br ZINC000580995543 532752408 /nfs/dbraw/zinc/75/24/08/532752408.db2.gz RVLOKZCRIZAOFI-VXGBXAGGSA-N 1 2 396.289 2.185 20 0 GEADLO C[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)n1cncn1 ZINC000580968848 532752430 /nfs/dbraw/zinc/75/24/30/532752430.db2.gz DNBZDOMGQSSNSD-LBPRGKRZSA-N 1 2 393.245 2.120 20 0 GEADLO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000302863150 532775314 /nfs/dbraw/zinc/77/53/14/532775314.db2.gz WNLKOLKCENXPGF-UHFFFAOYSA-N 1 2 380.239 2.327 20 0 GEADLO Cc1noc([C@@H](C)[NH2+]CC(=O)Nc2ccc(I)cc2)n1 ZINC000542580764 532775334 /nfs/dbraw/zinc/77/53/34/532775334.db2.gz UXUFPASPXAOEGU-MRVPVSSYSA-N 1 2 386.193 2.272 20 0 GEADLO Cn1ncc2c1nc(N1CCO[C@H](c3ccccc3Br)C1)[nH+]c2N ZINC000302875626 532775537 /nfs/dbraw/zinc/77/55/37/532775537.db2.gz FPUNBDKRPDLLJD-ZDUSSCGKSA-N 1 2 389.257 2.286 20 0 GEADLO COc1cc[nH+]cc1COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000286942321 532776478 /nfs/dbraw/zinc/77/64/78/532776478.db2.gz JZFSPFPGLJIHEC-CYBMUJFWSA-N 1 2 382.463 2.048 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000542056918 532764067 /nfs/dbraw/zinc/76/40/67/532764067.db2.gz UKPXBWAQFZONHG-UHFFFAOYSA-N 1 2 390.234 2.039 20 0 GEADLO O=c1nc(-c2ccc(Br)cc2)on1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583074546 532764114 /nfs/dbraw/zinc/76/41/14/532764114.db2.gz XGYMQMVFYLLDAY-OKILXGFUSA-N 1 2 380.242 2.129 20 0 GEADLO O=c1nc(-c2ccc(Br)cc2)on1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583074546 532764117 /nfs/dbraw/zinc/76/41/17/532764117.db2.gz XGYMQMVFYLLDAY-OKILXGFUSA-N 1 2 380.242 2.129 20 0 GEADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nnnn1CCOCC(F)(F)F ZINC000451409036 532764334 /nfs/dbraw/zinc/76/43/34/532764334.db2.gz PFIFVQKBJZGBTP-ZJUUUORDSA-N 1 2 375.317 2.415 20 0 GEADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1nnnn1CCOCC(F)(F)F ZINC000451409036 532764341 /nfs/dbraw/zinc/76/43/41/532764341.db2.gz PFIFVQKBJZGBTP-ZJUUUORDSA-N 1 2 375.317 2.415 20 0 GEADLO Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508758209 532765264 /nfs/dbraw/zinc/76/52/64/532765264.db2.gz YYKDUACIRPWPNW-UHFFFAOYSA-N 1 2 388.273 2.294 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2csc(Br)c2)C1=O ZINC000542155151 532765586 /nfs/dbraw/zinc/76/55/86/532765586.db2.gz UXHYONRHQAMJTC-LLVKDONJSA-N 1 2 397.298 2.165 20 0 GEADLO CS[C@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)C(C)(C)C ZINC000542205682 532766455 /nfs/dbraw/zinc/76/64/55/532766455.db2.gz PRMKBDHKGPJGPR-OAHLLOKOSA-N 1 2 386.587 2.207 20 0 GEADLO CC(CCN1CC[S@@](=O)CC1(C)C)CC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000411599611 532769735 /nfs/dbraw/zinc/76/97/35/532769735.db2.gz CAJRGFDMGMRESI-DNQXCXABSA-N 1 2 376.632 2.089 20 0 GEADLO CC(CCN1CC[S@@](=O)CC1(C)C)CC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000411599611 532769740 /nfs/dbraw/zinc/76/97/40/532769740.db2.gz CAJRGFDMGMRESI-DNQXCXABSA-N 1 2 376.632 2.089 20 0 GEADLO CCO[C@H]1C[C@@](O)(CNc2[nH+]cnc3c2c(Br)nn3C)C1(C)C ZINC000302671090 532772292 /nfs/dbraw/zinc/77/22/92/532772292.db2.gz DPXWSEJETNNUAY-BJOHPYRUSA-N 1 2 384.278 2.104 20 0 GEADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000268992221 532774229 /nfs/dbraw/zinc/77/42/29/532774229.db2.gz WKLWGYOSNRXDLU-OLZOCXBDSA-N 1 2 384.523 2.296 20 0 GEADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000268992221 532774233 /nfs/dbraw/zinc/77/42/33/532774233.db2.gz WKLWGYOSNRXDLU-OLZOCXBDSA-N 1 2 384.523 2.296 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)C1 ZINC000412062787 532784759 /nfs/dbraw/zinc/78/47/59/532784759.db2.gz BQBSPZJSQPVVQE-ZDUSSCGKSA-N 1 2 380.901 2.474 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)C1 ZINC000412062787 532784763 /nfs/dbraw/zinc/78/47/63/532784763.db2.gz BQBSPZJSQPVVQE-ZDUSSCGKSA-N 1 2 380.901 2.474 20 0 GEADLO CN(C)C(=O)Cc1nc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)cs1 ZINC000545932826 532785384 /nfs/dbraw/zinc/78/53/84/532785384.db2.gz KZGDEMUQXFFMHQ-HNNXBMFYSA-N 1 2 379.448 2.299 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000412082932 532785462 /nfs/dbraw/zinc/78/54/62/532785462.db2.gz RVSXUEJAKARELG-GFCCVEGCSA-N 1 2 386.901 2.434 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000412082932 532785464 /nfs/dbraw/zinc/78/54/64/532785464.db2.gz RVSXUEJAKARELG-GFCCVEGCSA-N 1 2 386.901 2.434 20 0 GEADLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000412093780 532785863 /nfs/dbraw/zinc/78/58/63/532785863.db2.gz WPUVGLOCFPZIEL-CHWSQXEVSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H]1[C@@H](CO)CCC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000412093780 532785866 /nfs/dbraw/zinc/78/58/66/532785866.db2.gz WPUVGLOCFPZIEL-CHWSQXEVSA-N 1 2 376.316 2.316 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)NCc1cn2ccccc2[nH+]1 ZINC000287264296 532789074 /nfs/dbraw/zinc/78/90/74/532789074.db2.gz UQTVCEOWNAIIAK-UHFFFAOYSA-N 1 2 377.246 2.183 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)c(Br)c2)C1 ZINC000412358420 532789411 /nfs/dbraw/zinc/78/94/11/532789411.db2.gz FFFCDOBCEDUOSH-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(F)c(Br)c2)C1 ZINC000412358420 532789412 /nfs/dbraw/zinc/78/94/12/532789412.db2.gz FFFCDOBCEDUOSH-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)ccc2C)C1 ZINC000412375910 532790080 /nfs/dbraw/zinc/79/00/80/532790080.db2.gz WJMLPBAHZSEMAY-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(Br)ccc2C)C1 ZINC000412375910 532790082 /nfs/dbraw/zinc/79/00/82/532790082.db2.gz WJMLPBAHZSEMAY-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO CC[C@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@H](O)C(F)F ZINC000457932643 532791815 /nfs/dbraw/zinc/79/18/15/532791815.db2.gz BWPIVJDGUFQBAB-JQWIXIFHSA-N 1 2 391.216 2.301 20 0 GEADLO O=C(c1cnc(C2OCCO2)s1)N1CC[NH+](CCc2cccs2)CC1 ZINC000287332685 532791972 /nfs/dbraw/zinc/79/19/72/532791972.db2.gz WCZMMDPKAJLWGD-UHFFFAOYSA-N 1 2 379.507 2.251 20 0 GEADLO CS(=O)(=O)CCN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CC1 ZINC000269895915 532792152 /nfs/dbraw/zinc/79/21/52/532792152.db2.gz VBMLARHFUHRUDD-UHFFFAOYSA-N 1 2 386.543 2.170 20 0 GEADLO CN(c1nc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cs1)C1CC1 ZINC000328665583 532794737 /nfs/dbraw/zinc/79/47/37/532794737.db2.gz ZGMVWTMZYCYHRS-UHFFFAOYSA-N 1 2 384.571 2.132 20 0 GEADLO Cc1cc(CNC(=O)NCCc2cn(C)c[nH+]2)ccc1I ZINC000458737006 532794801 /nfs/dbraw/zinc/79/48/01/532794801.db2.gz OVNRNYRERSPPQN-UHFFFAOYSA-N 1 2 398.248 2.375 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000455290413 532780161 /nfs/dbraw/zinc/78/01/61/532780161.db2.gz GMZXIWUWJGBUMO-UHFFFAOYSA-N 1 2 380.246 2.103 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(c3c(Cl)cccc3Cl)CC2)C1 ZINC000514193059 532781025 /nfs/dbraw/zinc/78/10/25/532781025.db2.gz MXFACHFFGYCFAW-ZDUSSCGKSA-N 1 2 392.352 2.397 20 0 GEADLO CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000411933907 532781842 /nfs/dbraw/zinc/78/18/42/532781842.db2.gz BVBXKOQDOKAPBD-VIFPVBQESA-N 1 2 390.228 2.076 20 0 GEADLO CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000411933907 532781847 /nfs/dbraw/zinc/78/18/47/532781847.db2.gz BVBXKOQDOKAPBD-VIFPVBQESA-N 1 2 390.228 2.076 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1S(C)(=O)=O)c1ccsc1 ZINC000413100408 532806471 /nfs/dbraw/zinc/80/64/71/532806471.db2.gz IQLNOOAOBLGNGP-OAHLLOKOSA-N 1 2 381.523 2.254 20 0 GEADLO CCS(=O)(=O)N1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413112732 532806539 /nfs/dbraw/zinc/80/65/39/532806539.db2.gz XSOXHLPVSWYVAV-UHFFFAOYSA-N 1 2 384.299 2.469 20 0 GEADLO C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC000555703686 532809586 /nfs/dbraw/zinc/80/95/86/532809586.db2.gz JRSZDPJSPSSYAX-XJKSGUPXSA-N 1 2 383.945 2.413 20 0 GEADLO C[C@H](O)CNc1cc(N[C@H](CO)c2ccc(Br)c(F)c2)nc[nH+]1 ZINC000413295241 532809592 /nfs/dbraw/zinc/80/95/92/532809592.db2.gz BWIKPOCYIFUDGB-TVQRCGJNSA-N 1 2 385.237 2.316 20 0 GEADLO C[C@H](O)CNc1cc(N[C@H](CO)c2ccc(Br)c(F)c2)[nH+]cn1 ZINC000413295241 532809594 /nfs/dbraw/zinc/80/95/94/532809594.db2.gz BWIKPOCYIFUDGB-TVQRCGJNSA-N 1 2 385.237 2.316 20 0 GEADLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000329755401 532810713 /nfs/dbraw/zinc/81/07/13/532810713.db2.gz XZXARFNZFXTUKK-UHFFFAOYSA-N 1 2 397.298 2.058 20 0 GEADLO C[C@H](NS(=O)(=O)CCC(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000556376176 532811040 /nfs/dbraw/zinc/81/10/40/532811040.db2.gz XCYDSQSVUXKBPC-ZFWWWQNUSA-N 1 2 380.432 2.148 20 0 GEADLO C[C@H](NS(=O)(=O)CCC(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000556376176 532811042 /nfs/dbraw/zinc/81/10/42/532811042.db2.gz XCYDSQSVUXKBPC-ZFWWWQNUSA-N 1 2 380.432 2.148 20 0 GEADLO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000459681136 532797540 /nfs/dbraw/zinc/79/75/40/532797540.db2.gz DCSCJHXTUNKFMH-YGRLFVJLSA-N 1 2 398.253 2.157 20 0 GEADLO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000459681136 532797541 /nfs/dbraw/zinc/79/75/41/532797541.db2.gz DCSCJHXTUNKFMH-YGRLFVJLSA-N 1 2 398.253 2.157 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000328959650 532801154 /nfs/dbraw/zinc/80/11/54/532801154.db2.gz KCBRKXGOHKZPGS-HEWAKGLMSA-N 1 2 376.309 2.403 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000328959650 532801156 /nfs/dbraw/zinc/80/11/56/532801156.db2.gz KCBRKXGOHKZPGS-HEWAKGLMSA-N 1 2 376.309 2.403 20 0 GEADLO C[C@H](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)c1ccc(F)c(Br)c1 ZINC000462249771 532801466 /nfs/dbraw/zinc/80/14/66/532801466.db2.gz WEYSJOCDHXATIP-OCCSQVGLSA-N 1 2 384.293 2.198 20 0 GEADLO Cc1cc(S(=O)(=O)NCCNC(=O)Nc2c(C)cc[nH+]c2C)c(C)s1 ZINC000287633354 532804269 /nfs/dbraw/zinc/80/42/69/532804269.db2.gz VCXMPVHZCLOXFF-UHFFFAOYSA-N 1 2 382.511 2.477 20 0 GEADLO CSc1cc(Br)ccc1C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000271196771 532804278 /nfs/dbraw/zinc/80/42/78/532804278.db2.gz ODCXJYMEXLWAMW-LBPRGKRZSA-N 1 2 379.345 2.295 20 0 GEADLO CSc1cc(Br)ccc1C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000271196771 532804283 /nfs/dbraw/zinc/80/42/83/532804283.db2.gz ODCXJYMEXLWAMW-LBPRGKRZSA-N 1 2 379.345 2.295 20 0 GEADLO Cc1nc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(Br)n1C ZINC000287650324 532804777 /nfs/dbraw/zinc/80/47/77/532804777.db2.gz CGLGBJSPXKSGQU-SNVBAGLBSA-N 1 2 388.291 2.130 20 0 GEADLO CCn1cncc1S(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000330152325 532814927 /nfs/dbraw/zinc/81/49/27/532814927.db2.gz NUKHZNGCMZHDKX-UHFFFAOYSA-N 1 2 382.917 2.453 20 0 GEADLO CCn1cncc1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000330152325 532814931 /nfs/dbraw/zinc/81/49/31/532814931.db2.gz NUKHZNGCMZHDKX-UHFFFAOYSA-N 1 2 382.917 2.453 20 0 GEADLO Cn1cc[nH+]c1CNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000272392614 532815424 /nfs/dbraw/zinc/81/54/24/532815424.db2.gz VJNZNPZFJOICGH-UHFFFAOYSA-N 1 2 378.679 2.456 20 0 GEADLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2cccc(Br)n2)CC1 ZINC000272391829 532815521 /nfs/dbraw/zinc/81/55/21/532815521.db2.gz HGHJCFDANRBPQR-UHFFFAOYSA-N 1 2 398.301 2.078 20 0 GEADLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cccc(Br)n2)CC1 ZINC000272391829 532815522 /nfs/dbraw/zinc/81/55/22/532815522.db2.gz HGHJCFDANRBPQR-UHFFFAOYSA-N 1 2 398.301 2.078 20 0 GEADLO OC[C@@H]1CCCN(c2cc(NCCCn3cc(Br)cn3)[nH+]cn2)C1 ZINC000288105432 532817562 /nfs/dbraw/zinc/81/75/62/532817562.db2.gz BFFQPRLWIMAWKS-CYBMUJFWSA-N 1 2 395.305 2.147 20 0 GEADLO OC[C@@H]1CCCN(c2cc(NCCCn3cc(Br)cn3)nc[nH+]2)C1 ZINC000288105432 532817563 /nfs/dbraw/zinc/81/75/63/532817563.db2.gz BFFQPRLWIMAWKS-CYBMUJFWSA-N 1 2 395.305 2.147 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CN3CCCCC3=O)[nH+]c12 ZINC000273243775 532821147 /nfs/dbraw/zinc/82/11/47/532821147.db2.gz FWGVBGWUSDTIMA-UHFFFAOYSA-N 1 2 393.285 2.076 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C[C@H]1C ZINC000330557562 532821440 /nfs/dbraw/zinc/82/14/40/532821440.db2.gz GBHJHPSQWGBDFE-NEPJUHHUSA-N 1 2 389.905 2.357 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C[C@H]1C ZINC000330557562 532821441 /nfs/dbraw/zinc/82/14/41/532821441.db2.gz GBHJHPSQWGBDFE-NEPJUHHUSA-N 1 2 389.905 2.357 20 0 GEADLO COCCCOCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273317895 532822635 /nfs/dbraw/zinc/82/26/35/532822635.db2.gz RGJHICSQDLLHHG-UHFFFAOYSA-N 1 2 384.274 2.117 20 0 GEADLO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000273502438 532825342 /nfs/dbraw/zinc/82/53/42/532825342.db2.gz YWUUWXIPCFZYMV-UHFFFAOYSA-N 1 2 380.897 2.492 20 0 GEADLO CC(C)CN(C)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000330687300 532825609 /nfs/dbraw/zinc/82/56/09/532825609.db2.gz BVUACXAHGSIYML-SJORKVTESA-N 1 2 389.949 2.134 20 0 GEADLO CC(C)CN(C)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000330687300 532825611 /nfs/dbraw/zinc/82/56/11/532825611.db2.gz BVUACXAHGSIYML-SJORKVTESA-N 1 2 389.949 2.134 20 0 GEADLO Cc1ccc(NS(C)(=O)=O)c(NC(=O)C2CC[NH+](CC(F)F)CC2)c1 ZINC000330685641 532825860 /nfs/dbraw/zinc/82/58/60/532825860.db2.gz LTKDQODQBUHEGF-UHFFFAOYSA-N 1 2 375.441 2.282 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CCOCc1ccc(Cl)cc1Cl ZINC000288406125 532825925 /nfs/dbraw/zinc/82/59/25/532825925.db2.gz QLPANMOYCXLJTH-AWEZNQCLSA-N 1 2 383.235 2.396 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CCOCc1ccc(Cl)cc1Cl ZINC000288406125 532825926 /nfs/dbraw/zinc/82/59/26/532825926.db2.gz QLPANMOYCXLJTH-AWEZNQCLSA-N 1 2 383.235 2.396 20 0 GEADLO CCN(Cc1c[nH+]c2c(C)cc(Br)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000273534858 532826018 /nfs/dbraw/zinc/82/60/18/532826018.db2.gz SFXIHZGRSIZTAY-ZDUSSCGKSA-N 1 2 386.315 2.414 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCS[C@@H](C)[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000330809368 532827630 /nfs/dbraw/zinc/82/76/30/532827630.db2.gz IWJOTKMBWATPFZ-KGLIPLIRSA-N 1 2 385.555 2.010 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C)[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000330809368 532827631 /nfs/dbraw/zinc/82/76/31/532827631.db2.gz IWJOTKMBWATPFZ-KGLIPLIRSA-N 1 2 385.555 2.010 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@H](O)C3)[nH+]c12 ZINC000273601341 532827834 /nfs/dbraw/zinc/82/78/34/532827834.db2.gz YMUYIXDNKCLORV-AWEZNQCLSA-N 1 2 381.274 2.114 20 0 GEADLO COc1cc(S(=O)(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)ccc1Cl ZINC000414448899 532827838 /nfs/dbraw/zinc/82/78/38/532827838.db2.gz AASCAAPHQGSYOW-UHFFFAOYSA-N 1 2 388.877 2.007 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(Cl)c1Cl ZINC000330888653 532828718 /nfs/dbraw/zinc/82/87/18/532828718.db2.gz IGXYSPAXYAIHSN-LLVKDONJSA-N 1 2 397.324 2.249 20 0 GEADLO C[NH2+]Cc1noc(C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000414501485 532831610 /nfs/dbraw/zinc/83/16/10/532831610.db2.gz NPOCSMSJNJDLBE-UHFFFAOYSA-N 1 2 388.852 2.150 20 0 GEADLO C[N@H+](CCn1cc(Br)cn1)CCS(=O)(=O)Cc1ccccc1 ZINC000288671829 532834853 /nfs/dbraw/zinc/83/48/53/532834853.db2.gz CGUBRZGYBQJHRF-UHFFFAOYSA-N 1 2 386.315 2.192 20 0 GEADLO C[N@@H+](CCn1cc(Br)cn1)CCS(=O)(=O)Cc1ccccc1 ZINC000288671829 532834856 /nfs/dbraw/zinc/83/48/56/532834856.db2.gz CGUBRZGYBQJHRF-UHFFFAOYSA-N 1 2 386.315 2.192 20 0 GEADLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000331223069 532836422 /nfs/dbraw/zinc/83/64/22/532836422.db2.gz LAVCBPXDROZCJZ-UHFFFAOYSA-N 1 2 385.288 2.210 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000288773795 532837471 /nfs/dbraw/zinc/83/74/71/532837471.db2.gz BFWDZUDHMGNPKF-MNOVXSKESA-N 1 2 394.273 2.067 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000288773795 532837474 /nfs/dbraw/zinc/83/74/74/532837474.db2.gz BFWDZUDHMGNPKF-MNOVXSKESA-N 1 2 394.273 2.067 20 0 GEADLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)o2)C1 ZINC000331439916 532839805 /nfs/dbraw/zinc/83/98/05/532839805.db2.gz XIADCZPJTGAUEX-NSHDSACASA-N 1 2 388.287 2.419 20 0 GEADLO Cc1nnc2n1CCC[C@@H]2[NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 ZINC000359894437 212121609 /nfs/dbraw/zinc/12/16/09/212121609.db2.gz FDRUSCORIGLIRX-HNNXBMFYSA-N 1 2 378.473 2.063 20 0 GEADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(Cc1cn2c([nH+]1)CCCC2)S(C)(=O)=O ZINC000328636596 212088733 /nfs/dbraw/zinc/08/87/33/212088733.db2.gz VOMWUMWFFIFQFV-WBVHZDCISA-N 1 2 396.557 2.018 20 0 GEADLO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000328627104 212086625 /nfs/dbraw/zinc/08/66/25/212086625.db2.gz MIXAPGBZOBMYJB-DOTOQJQBSA-N 1 2 395.529 2.088 20 0 GEADLO CC(=O)N1CCC[C@@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274142886 532842046 /nfs/dbraw/zinc/84/20/46/532842046.db2.gz DWOIORJPNKZCTH-CQSZACIVSA-N 1 2 379.258 2.032 20 0 GEADLO CO[C@@H]1CCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)[C@H](C[NH3+])C1 ZINC000415478175 532846793 /nfs/dbraw/zinc/84/67/93/532846793.db2.gz FZMWGYYQEHCHQV-WDEREUQCSA-N 1 2 381.889 2.250 20 0 GEADLO CNS(=O)(=O)c1csc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000274292954 532846892 /nfs/dbraw/zinc/84/68/92/532846892.db2.gz NKBLIENTACDHLN-GFCCVEGCSA-N 1 2 399.563 2.237 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000274308587 532847303 /nfs/dbraw/zinc/84/73/03/532847303.db2.gz LMTRJSOGOBVMTG-IUODEOHRSA-N 1 2 381.416 2.247 20 0 GEADLO CCCC[N@H+](C)C[C@H](C)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000289072593 532847034 /nfs/dbraw/zinc/84/70/34/532847034.db2.gz NPYWFJRKLQAXFQ-ZDUSSCGKSA-N 1 2 376.544 2.026 20 0 GEADLO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000289072593 532847036 /nfs/dbraw/zinc/84/70/36/532847036.db2.gz NPYWFJRKLQAXFQ-ZDUSSCGKSA-N 1 2 376.544 2.026 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000274308587 532847300 /nfs/dbraw/zinc/84/73/00/532847300.db2.gz LMTRJSOGOBVMTG-IUODEOHRSA-N 1 2 381.416 2.247 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274423613 532849912 /nfs/dbraw/zinc/84/99/12/532849912.db2.gz GVISVTAHVPMMIG-SNVBAGLBSA-N 1 2 390.713 2.255 20 0 GEADLO CCS(=O)(=O)NCCCSC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000289351593 532853011 /nfs/dbraw/zinc/85/30/11/532853011.db2.gz GUKDUYCJDSQTST-HNNXBMFYSA-N 1 2 385.555 2.077 20 0 GEADLO CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332364094 532853107 /nfs/dbraw/zinc/85/31/07/532853107.db2.gz SZZJBZJBOYFICQ-AWEZNQCLSA-N 1 2 399.314 2.240 20 0 GEADLO CN1CCN(c2cc(N3Cc4cccc(Br)c4C3)nc[nH+]2)CC1=O ZINC000274730277 532854970 /nfs/dbraw/zinc/85/49/70/532854970.db2.gz BRTUYOQFVQDPII-UHFFFAOYSA-N 1 2 388.269 2.038 20 0 GEADLO CN1CCN(c2cc(N3Cc4cccc(Br)c4C3)[nH+]cn2)CC1=O ZINC000274730277 532854973 /nfs/dbraw/zinc/85/49/73/532854973.db2.gz BRTUYOQFVQDPII-UHFFFAOYSA-N 1 2 388.269 2.038 20 0 GEADLO COCCCCS(=O)(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274753654 532855795 /nfs/dbraw/zinc/85/57/95/532855795.db2.gz LWIOWYLZRWJAHW-UHFFFAOYSA-N 1 2 390.303 2.251 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000289461747 532855875 /nfs/dbraw/zinc/85/58/75/532855875.db2.gz QFIZLLZAOORSCT-JTQLQIEISA-N 1 2 394.273 2.067 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2Br)C1 ZINC000289530449 532857761 /nfs/dbraw/zinc/85/77/61/532857761.db2.gz PVYPIAHYGLHBMM-ZDUSSCGKSA-N 1 2 377.304 2.011 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC000289530449 532857762 /nfs/dbraw/zinc/85/77/62/532857762.db2.gz PVYPIAHYGLHBMM-ZDUSSCGKSA-N 1 2 377.304 2.011 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(OC)ccc2OC(F)F)CC1 ZINC000289550960 532858505 /nfs/dbraw/zinc/85/85/05/532858505.db2.gz XSIDIEGAQGUWAE-UHFFFAOYSA-N 1 2 378.441 2.200 20 0 GEADLO C[C@@H]1C[NH+](CCCCNS(=O)(=O)c2cc(F)c(F)cc2F)C[C@@H](C)O1 ZINC000332637357 532858972 /nfs/dbraw/zinc/85/89/72/532858972.db2.gz YMULFZCCGYJILT-VXGBXAGGSA-N 1 2 380.432 2.272 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000332656955 532859579 /nfs/dbraw/zinc/85/95/79/532859579.db2.gz VZGMHKBDHUPGJX-UHFFFAOYSA-N 1 2 386.271 2.167 20 0 GEADLO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCc3n[nH]nc3C2)cc1Br ZINC000332683250 532860443 /nfs/dbraw/zinc/86/04/43/532860443.db2.gz UZIYPDNSJDPGLF-SNVBAGLBSA-N 1 2 378.274 2.372 20 0 GEADLO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCc3[nH]nnc3C2)cc1Br ZINC000332683250 532860446 /nfs/dbraw/zinc/86/04/46/532860446.db2.gz UZIYPDNSJDPGLF-SNVBAGLBSA-N 1 2 378.274 2.372 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1Br ZINC000332681466 532860457 /nfs/dbraw/zinc/86/04/57/532860457.db2.gz RLMAUWJGGZLVTM-ZDUSSCGKSA-N 1 2 384.274 2.396 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)C[C@@H]21 ZINC000332931749 532862179 /nfs/dbraw/zinc/86/21/79/532862179.db2.gz RTOVFBVXWTYVJO-HOTGVXAUSA-N 1 2 393.285 2.155 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)C[C@@H]21 ZINC000332931749 532862183 /nfs/dbraw/zinc/86/21/83/532862183.db2.gz RTOVFBVXWTYVJO-HOTGVXAUSA-N 1 2 393.285 2.155 20 0 GEADLO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000333114579 532864245 /nfs/dbraw/zinc/86/42/45/532864245.db2.gz SWWCSSRHQUFHQX-ZDUSSCGKSA-N 1 2 387.958 2.387 20 0 GEADLO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000333114579 532864248 /nfs/dbraw/zinc/86/42/48/532864248.db2.gz SWWCSSRHQUFHQX-ZDUSSCGKSA-N 1 2 387.958 2.387 20 0 GEADLO C[C@@H](NS(=O)(=O)C[C@@H]1CCCC1(F)F)C1([NH+]2CCOCC2)CCCC1 ZINC000333148732 532865523 /nfs/dbraw/zinc/86/55/23/532865523.db2.gz AHSRPFBLFCCRQR-CABCVRRESA-N 1 2 380.501 2.375 20 0 GEADLO C[C@H](NS(=O)(=O)C[C@@H]1CCCC1(F)F)C1([NH+]2CCOCC2)CCCC1 ZINC000333148736 532865621 /nfs/dbraw/zinc/86/56/21/532865621.db2.gz AHSRPFBLFCCRQR-GJZGRUSLSA-N 1 2 380.501 2.375 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000333191925 532866173 /nfs/dbraw/zinc/86/61/73/532866173.db2.gz WAGUSJDMMOEBSV-HNNXBMFYSA-N 1 2 385.917 2.087 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000333191925 532866176 /nfs/dbraw/zinc/86/61/76/532866176.db2.gz WAGUSJDMMOEBSV-HNNXBMFYSA-N 1 2 385.917 2.087 20 0 GEADLO C[C@H]1OCCC[C@H]1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333520828 532869966 /nfs/dbraw/zinc/86/99/66/532869966.db2.gz NWMFIYIXCMDQPF-VXGBXAGGSA-N 1 2 384.274 2.434 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2nnc(C(F)(F)F)s2)CCO1 ZINC000275270762 532870319 /nfs/dbraw/zinc/87/03/19/532870319.db2.gz JIYDGBOBTWUMDW-APPZFPTMSA-N 1 2 376.364 2.332 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000333642962 532871538 /nfs/dbraw/zinc/87/15/38/532871538.db2.gz JEFYARJRIVIAQA-BXUZGUMPSA-N 1 2 383.290 2.479 20 0 GEADLO COc1cc(S(=O)(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000416370191 532872632 /nfs/dbraw/zinc/87/26/32/532872632.db2.gz GYJXNFOBIJHCGX-BETUJISGSA-N 1 2 376.906 2.126 20 0 GEADLO COc1cc(S(=O)(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000416370191 532872636 /nfs/dbraw/zinc/87/26/36/532872636.db2.gz GYJXNFOBIJHCGX-BETUJISGSA-N 1 2 376.906 2.126 20 0 GEADLO C[C@@H]1COCC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333746257 532872915 /nfs/dbraw/zinc/87/29/15/532872915.db2.gz YVQXXXYGPOJGMI-DGCLKSJQSA-N 1 2 399.289 2.227 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000333843619 532874139 /nfs/dbraw/zinc/87/41/39/532874139.db2.gz NVUOHHWSQKWIPG-IINYFYTJSA-N 1 2 386.265 2.205 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000333843619 532874144 /nfs/dbraw/zinc/87/41/44/532874144.db2.gz NVUOHHWSQKWIPG-IINYFYTJSA-N 1 2 386.265 2.205 20 0 GEADLO CCOC(=O)c1cc2cc(S(=O)(=O)NCc3c[nH+]cn3C)ccc2s1 ZINC000290173757 532874767 /nfs/dbraw/zinc/87/47/67/532874767.db2.gz KOFQPSIBGZBQJE-UHFFFAOYSA-N 1 2 379.463 2.290 20 0 GEADLO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c(Cl)c1Cl ZINC000275429602 532876262 /nfs/dbraw/zinc/87/62/62/532876262.db2.gz DYLXQMYCADXPGT-UHFFFAOYSA-N 1 2 383.297 2.003 20 0 GEADLO COc1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)c(Cl)c1Cl ZINC000275429602 532876264 /nfs/dbraw/zinc/87/62/64/532876264.db2.gz DYLXQMYCADXPGT-UHFFFAOYSA-N 1 2 383.297 2.003 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)s1 ZINC000420452187 532883737 /nfs/dbraw/zinc/88/37/37/532883737.db2.gz AFBKMPYTPUHYBL-SNVBAGLBSA-N 1 2 384.454 2.361 20 0 GEADLO CNC(=O)CC1CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000290399804 532880077 /nfs/dbraw/zinc/88/00/77/532880077.db2.gz KHMBYJUOZOTOEJ-UHFFFAOYSA-N 1 2 392.301 2.378 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420928107 532887375 /nfs/dbraw/zinc/88/73/75/532887375.db2.gz CANGIDOXUDLNGW-CJNGLKHVSA-N 1 2 399.329 2.268 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420928107 532887376 /nfs/dbraw/zinc/88/73/76/532887376.db2.gz CANGIDOXUDLNGW-CJNGLKHVSA-N 1 2 399.329 2.268 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420928109 532887684 /nfs/dbraw/zinc/88/76/84/532887684.db2.gz CANGIDOXUDLNGW-CZUORRHYSA-N 1 2 399.329 2.268 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420928109 532887689 /nfs/dbraw/zinc/88/76/89/532887689.db2.gz CANGIDOXUDLNGW-CZUORRHYSA-N 1 2 399.329 2.268 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420941093 532887737 /nfs/dbraw/zinc/88/77/37/532887737.db2.gz OUZREVBVKFFSMD-CYBMUJFWSA-N 1 2 375.296 2.424 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420941093 532887741 /nfs/dbraw/zinc/88/77/41/532887741.db2.gz OUZREVBVKFFSMD-CYBMUJFWSA-N 1 2 375.296 2.424 20 0 GEADLO COCCNc1nnc(SCc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000421822610 532890968 /nfs/dbraw/zinc/89/09/68/532890968.db2.gz XKMPXPUXIXAUGF-UHFFFAOYSA-N 1 2 380.539 2.721 20 0 GEADLO CS(=O)(=O)c1nnc(CN2CCC(c3[nH]c4ccccc4[nH+]3)CC2)s1 ZINC000276266189 532892340 /nfs/dbraw/zinc/89/23/40/532892340.db2.gz BZCQUPQHBJUKCN-UHFFFAOYSA-N 1 2 377.495 2.198 20 0 GEADLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000276267206 532892383 /nfs/dbraw/zinc/89/23/83/532892383.db2.gz UHKCSDGVPDIWDA-ZDUSSCGKSA-N 1 2 380.432 2.408 20 0 GEADLO COC(=O)N1CC([NH2+]Cc2c(Br)cncc2Br)C1 ZINC000290953525 532893497 /nfs/dbraw/zinc/89/34/97/532893497.db2.gz VLXPJWZTZXCVQL-UHFFFAOYSA-N 1 2 379.052 2.147 20 0 GEADLO CC(C)C[NH+]1CCN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 ZINC000290976438 532894125 /nfs/dbraw/zinc/89/41/25/532894125.db2.gz ABKUDIQLPCLDQQ-ZFWWWQNUSA-N 1 2 385.555 2.338 20 0 GEADLO C[C@H](c1nnnn1C)[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000276287042 532892933 /nfs/dbraw/zinc/89/29/33/532892933.db2.gz VDNLYKXASACQDU-LLVKDONJSA-N 1 2 393.289 2.384 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Br)CCO1 ZINC000276452340 532896313 /nfs/dbraw/zinc/89/63/13/532896313.db2.gz XSQNIWDBYTUWRR-JQWIXIFHSA-N 1 2 394.273 2.433 20 0 GEADLO O=C(C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1)Nc1ccc(Br)cn1 ZINC000363158601 532897234 /nfs/dbraw/zinc/89/72/34/532897234.db2.gz BWVMRPQAQQZVHY-AWEZNQCLSA-N 1 2 395.301 2.260 20 0 GEADLO O=C(C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1)Nc1ccc(Br)cn1 ZINC000363158601 532897235 /nfs/dbraw/zinc/89/72/35/532897235.db2.gz BWVMRPQAQQZVHY-AWEZNQCLSA-N 1 2 395.301 2.260 20 0 GEADLO C[C@H](Cn1cc(Br)cn1)Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000291159189 532897471 /nfs/dbraw/zinc/89/74/71/532897471.db2.gz IDWFWULIHFRERN-CYBMUJFWSA-N 1 2 392.301 2.078 20 0 GEADLO C[C@H](Cn1cc(Br)cn1)Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000291159189 532897474 /nfs/dbraw/zinc/89/74/74/532897474.db2.gz IDWFWULIHFRERN-CYBMUJFWSA-N 1 2 392.301 2.078 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000291472604 532902451 /nfs/dbraw/zinc/90/24/51/532902451.db2.gz DYUYKXQRYVLOFY-CQSZACIVSA-N 1 2 378.416 2.411 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000291472604 532902452 /nfs/dbraw/zinc/90/24/52/532902452.db2.gz DYUYKXQRYVLOFY-CQSZACIVSA-N 1 2 378.416 2.411 20 0 GEADLO CC[C@H](C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C(=O)OC ZINC000276912546 532903511 /nfs/dbraw/zinc/90/35/11/532903511.db2.gz XKCNVGFECHUFJU-CYBMUJFWSA-N 1 2 382.258 2.263 20 0 GEADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N(CCO)Cc1cc(Br)ccc1F ZINC000364284386 532906090 /nfs/dbraw/zinc/90/60/90/532906090.db2.gz SLEWDFCNROUTPY-GFCCVEGCSA-N 1 2 396.260 2.368 20 0 GEADLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cnnn2Cc2ccccc2)s1 ZINC000291680317 532907084 /nfs/dbraw/zinc/90/70/84/532907084.db2.gz HOYWHXQBKPHUCX-UHFFFAOYSA-N 1 2 376.507 2.471 20 0 GEADLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000291695897 532907334 /nfs/dbraw/zinc/90/73/34/532907334.db2.gz YKVZDOUKOKIABQ-CQSZACIVSA-N 1 2 390.285 2.227 20 0 GEADLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000291695897 532907335 /nfs/dbraw/zinc/90/73/35/532907335.db2.gz YKVZDOUKOKIABQ-CQSZACIVSA-N 1 2 390.285 2.227 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cncc(I)c1 ZINC000365408602 532910756 /nfs/dbraw/zinc/91/07/56/532910756.db2.gz YFKKARCLSWCZEP-UHFFFAOYSA-N 1 2 396.232 2.491 20 0 GEADLO O=C([C@H]1CCCN1CC(F)(F)F)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000291812489 532909031 /nfs/dbraw/zinc/90/90/31/532909031.db2.gz ZPSVCCPOQCAHBF-CQSZACIVSA-N 1 2 376.448 2.204 20 0 GEADLO O=C([C@H]1CCCN1CC(F)(F)F)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000291812489 532909032 /nfs/dbraw/zinc/90/90/32/532909032.db2.gz ZPSVCCPOQCAHBF-CQSZACIVSA-N 1 2 376.448 2.204 20 0 GEADLO O=C(NC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)[C@H]1CSCCS1 ZINC000365229683 532909075 /nfs/dbraw/zinc/90/90/75/532909075.db2.gz WIOHSJZXBKLTNY-MRXNPFEDSA-N 1 2 376.551 2.492 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000292018320 532912074 /nfs/dbraw/zinc/91/20/74/532912074.db2.gz OXMZPNWHWNCROK-UHFFFAOYSA-N 1 2 378.274 2.214 20 0 GEADLO CS(=O)(=O)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000292289944 532915013 /nfs/dbraw/zinc/91/50/13/532915013.db2.gz RLIWENSLMMQKHC-ABAIWWIYSA-N 1 2 391.320 2.465 20 0 GEADLO CS(=O)(=O)C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000292289944 532915015 /nfs/dbraw/zinc/91/50/15/532915015.db2.gz RLIWENSLMMQKHC-ABAIWWIYSA-N 1 2 391.320 2.465 20 0 GEADLO O[C@H](COCC(F)(F)F)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000292358333 532915520 /nfs/dbraw/zinc/91/55/20/532915520.db2.gz FQZZUXIBHNVHNX-NSHDSACASA-N 1 2 388.217 2.450 20 0 GEADLO C[N@H+](Cc1nc2cc(Br)ccc2o1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292115439 532913219 /nfs/dbraw/zinc/91/32/19/532913219.db2.gz HOCZLYYSJAIUMQ-LLVKDONJSA-N 1 2 388.287 2.056 20 0 GEADLO C[N@@H+](Cc1nc2cc(Br)ccc2o1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292115439 532913220 /nfs/dbraw/zinc/91/32/20/532913220.db2.gz HOCZLYYSJAIUMQ-LLVKDONJSA-N 1 2 388.287 2.056 20 0 GEADLO CS(=O)(=O)Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)o1 ZINC000366922712 532921851 /nfs/dbraw/zinc/92/18/51/532921851.db2.gz BHOYRBSTZIRFND-OAHLLOKOSA-N 1 2 382.869 2.264 20 0 GEADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000366925786 532921948 /nfs/dbraw/zinc/92/19/48/532921948.db2.gz NHHRDNIDOWJFBH-ZDUSSCGKSA-N 1 2 399.925 2.144 20 0 GEADLO COc1ccccc1C[NH+]1CCN(C(=O)c2nn(C)cc2Br)CC1 ZINC000293106406 532922175 /nfs/dbraw/zinc/92/21/75/532922175.db2.gz SIMOAQFGAFNQKA-UHFFFAOYSA-N 1 2 393.285 2.149 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000366642236 532919575 /nfs/dbraw/zinc/91/95/75/532919575.db2.gz NFLGXJNXTGGHPE-IUODEOHRSA-N 1 2 386.265 2.111 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000366642236 532919576 /nfs/dbraw/zinc/91/95/76/532919576.db2.gz NFLGXJNXTGGHPE-IUODEOHRSA-N 1 2 386.265 2.111 20 0 GEADLO CCN(C1CC[NH+](Cc2ccnc(Br)c2)CC1)S(C)(=O)=O ZINC000292902601 532919586 /nfs/dbraw/zinc/91/95/86/532919586.db2.gz WEWAUYCORRBUQY-UHFFFAOYSA-N 1 2 376.320 2.090 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CC[C@H]2CCOC(=O)[C@H]21)c1ccc(Br)cc1 ZINC000366642175 532919627 /nfs/dbraw/zinc/91/96/27/532919627.db2.gz MZTQBEICWXMGOF-RBOXIYTFSA-N 1 2 381.270 2.264 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CC[C@H]2CCOC(=O)[C@H]21)c1ccc(Br)cc1 ZINC000366642175 532919628 /nfs/dbraw/zinc/91/96/28/532919628.db2.gz MZTQBEICWXMGOF-RBOXIYTFSA-N 1 2 381.270 2.264 20 0 GEADLO C[C@H]1C[C@@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C[N@@H+]1C1CC1 ZINC000293122215 532922370 /nfs/dbraw/zinc/92/23/70/532922370.db2.gz RBAWQCRWSFPRHN-NWDGAFQWSA-N 1 2 390.285 2.427 20 0 GEADLO C[C@H]1C[C@@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C[N@H+]1C1CC1 ZINC000293122215 532922372 /nfs/dbraw/zinc/92/23/72/532922372.db2.gz RBAWQCRWSFPRHN-NWDGAFQWSA-N 1 2 390.285 2.427 20 0 GEADLO CS(=O)(=O)C1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCOCC1 ZINC000293136422 532922795 /nfs/dbraw/zinc/92/27/95/532922795.db2.gz TYDZBPGUFSUHLP-UHFFFAOYSA-N 1 2 383.857 2.058 20 0 GEADLO O=C1CO[C@@H]2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)C[C@@H]2N1 ZINC000367154543 532923096 /nfs/dbraw/zinc/92/30/96/532923096.db2.gz VGLGFOMIBZDETO-WCQYABFASA-N 1 2 380.217 2.230 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000367214137 532923635 /nfs/dbraw/zinc/92/36/35/532923635.db2.gz RAJFWIWUPPUWPL-DOMZBBRYSA-N 1 2 390.285 2.227 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000367214137 532923636 /nfs/dbraw/zinc/92/36/36/532923636.db2.gz RAJFWIWUPPUWPL-DOMZBBRYSA-N 1 2 390.285 2.227 20 0 GEADLO Cn1ncc(C(=O)NCCCCNc2cccc[nH+]2)c1I ZINC000293232946 532924118 /nfs/dbraw/zinc/92/41/18/532924118.db2.gz YBXUYXXUIWDXNU-UHFFFAOYSA-N 1 2 399.236 2.042 20 0 GEADLO O=C(NCCOc1ccc(Br)cc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367846078 532928123 /nfs/dbraw/zinc/92/81/23/532928123.db2.gz KPTSLAOVMCNXMA-GFCCVEGCSA-N 1 2 379.258 2.408 20 0 GEADLO O=C(NCCOc1ccc(Br)cc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367846078 532928124 /nfs/dbraw/zinc/92/81/24/532928124.db2.gz KPTSLAOVMCNXMA-GFCCVEGCSA-N 1 2 379.258 2.408 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000293546236 532928521 /nfs/dbraw/zinc/92/85/21/532928521.db2.gz WHOWFNZQEKZYNR-OCCSQVGLSA-N 1 2 387.933 2.113 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000367974318 532929003 /nfs/dbraw/zinc/92/90/03/532929003.db2.gz RWYRETQGWXWNCV-UHFFFAOYSA-N 1 2 383.486 2.050 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000367974318 532929005 /nfs/dbraw/zinc/92/90/05/532929005.db2.gz RWYRETQGWXWNCV-UHFFFAOYSA-N 1 2 383.486 2.050 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ncc(I)s1 ZINC000368046440 532929968 /nfs/dbraw/zinc/92/99/68/532929968.db2.gz YRPOHQXQAHMFAG-MNOVXSKESA-N 1 2 393.294 2.043 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000368192130 532930535 /nfs/dbraw/zinc/93/05/35/532930535.db2.gz WMTJJFWTGPLWOW-ZDUSSCGKSA-N 1 2 382.251 2.332 20 0 GEADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000368210734 532930975 /nfs/dbraw/zinc/93/09/75/532930975.db2.gz DEMJYTWAWKGJNT-ZDUSSCGKSA-N 1 2 388.265 2.447 20 0 GEADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000368210734 532930977 /nfs/dbraw/zinc/93/09/77/532930977.db2.gz DEMJYTWAWKGJNT-ZDUSSCGKSA-N 1 2 388.265 2.447 20 0 GEADLO CCOc1c(Br)cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1OC ZINC000368281676 532931148 /nfs/dbraw/zinc/93/11/48/532931148.db2.gz CCDIHDGPKMLATC-AWEZNQCLSA-N 1 2 385.302 2.373 20 0 GEADLO CCOc1c(Br)cc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1OC ZINC000368281676 532931150 /nfs/dbraw/zinc/93/11/50/532931150.db2.gz CCDIHDGPKMLATC-AWEZNQCLSA-N 1 2 385.302 2.373 20 0 GEADLO CCOc1c(Br)cc(CN2CC[N@@H+]3CCOC[C@@H]3C2)cc1OC ZINC000368281676 532931152 /nfs/dbraw/zinc/93/11/52/532931152.db2.gz CCDIHDGPKMLATC-AWEZNQCLSA-N 1 2 385.302 2.373 20 0 GEADLO CCOc1c(Br)cc(CN2CC[N@H+]3CCOC[C@@H]3C2)cc1OC ZINC000368281676 532931153 /nfs/dbraw/zinc/93/11/53/532931153.db2.gz CCDIHDGPKMLATC-AWEZNQCLSA-N 1 2 385.302 2.373 20 0 GEADLO CCOc1c(Br)cc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1OC ZINC000368281677 532931301 /nfs/dbraw/zinc/93/13/01/532931301.db2.gz CCDIHDGPKMLATC-CQSZACIVSA-N 1 2 385.302 2.373 20 0 GEADLO CCOc1c(Br)cc(C[N@H+]2CCN3CCOC[C@H]3C2)cc1OC ZINC000368281677 532931303 /nfs/dbraw/zinc/93/13/03/532931303.db2.gz CCDIHDGPKMLATC-CQSZACIVSA-N 1 2 385.302 2.373 20 0 GEADLO CCOc1c(Br)cc(CN2CC[N@@H+]3CCOC[C@H]3C2)cc1OC ZINC000368281677 532931304 /nfs/dbraw/zinc/93/13/04/532931304.db2.gz CCDIHDGPKMLATC-CQSZACIVSA-N 1 2 385.302 2.373 20 0 GEADLO CCOc1c(Br)cc(CN2CC[N@H+]3CCOC[C@H]3C2)cc1OC ZINC000368281677 532931306 /nfs/dbraw/zinc/93/13/06/532931306.db2.gz CCDIHDGPKMLATC-CQSZACIVSA-N 1 2 385.302 2.373 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C(=O)O1 ZINC000293981688 532934191 /nfs/dbraw/zinc/93/41/91/532934191.db2.gz RHIDXIGKLPXLQL-DFBGVHRSSA-N 1 2 381.270 2.406 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1OC ZINC000368806928 532934624 /nfs/dbraw/zinc/93/46/24/532934624.db2.gz UJWXRDNZWRQLBJ-ZDUSSCGKSA-N 1 2 398.301 2.456 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1OC ZINC000368806928 532934625 /nfs/dbraw/zinc/93/46/25/532934625.db2.gz UJWXRDNZWRQLBJ-ZDUSSCGKSA-N 1 2 398.301 2.456 20 0 GEADLO Cc1[nH+]c2ccccc2n1C1CCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC000369160136 532937163 /nfs/dbraw/zinc/93/71/63/532937163.db2.gz BNIULTPHNNGUQL-UHFFFAOYSA-N 1 2 377.495 2.290 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369321860 532938341 /nfs/dbraw/zinc/93/83/41/532938341.db2.gz NJDPAWXPARBOEG-OAHLLOKOSA-N 1 2 387.864 2.478 20 0 GEADLO CSc1ccc([C@@H](CNC(=O)CC2(CS(C)(=O)=O)CC2)[NH+](C)C)cc1 ZINC000294398396 532938630 /nfs/dbraw/zinc/93/86/30/532938630.db2.gz MEVHYEXBMGXDPV-MRXNPFEDSA-N 1 2 384.567 2.342 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)C2CCS(=O)(=O)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000369363855 532938899 /nfs/dbraw/zinc/93/88/99/532938899.db2.gz ODHSUZKSMXOQHR-WBVHZDCISA-N 1 2 384.929 2.274 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)C2CCS(=O)(=O)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000369363855 532938900 /nfs/dbraw/zinc/93/89/00/532938900.db2.gz ODHSUZKSMXOQHR-WBVHZDCISA-N 1 2 384.929 2.274 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000369367246 532939122 /nfs/dbraw/zinc/93/91/22/532939122.db2.gz XLMNBFQPXCSERZ-SNVBAGLBSA-N 1 2 384.221 2.373 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cc(F)cc(Br)c1F)CC2 ZINC000369483964 532939599 /nfs/dbraw/zinc/93/95/99/532939599.db2.gz KPHFKADPMOBJSD-UHFFFAOYSA-N 1 2 399.195 2.213 20 0 GEADLO CCc1cc(N)nc(S[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)[nH+]1 ZINC000370508306 532943807 /nfs/dbraw/zinc/94/38/07/532943807.db2.gz OFOMWFWCAPQRCE-LLVKDONJSA-N 1 2 378.479 2.367 20 0 GEADLO CN1C[C@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN2C1=O ZINC000369697728 532940491 /nfs/dbraw/zinc/94/04/91/532940491.db2.gz ZWGOWAOIPOXKIY-INIZCTEOSA-N 1 2 390.285 2.186 20 0 GEADLO CN1C[C@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN2C1=O ZINC000369697728 532940492 /nfs/dbraw/zinc/94/04/92/532940492.db2.gz ZWGOWAOIPOXKIY-INIZCTEOSA-N 1 2 390.285 2.186 20 0 GEADLO O=C1O[C@@H](C[NH+]2CCC(O)(c3scnc3Br)CC2)CC12CC2 ZINC000369714923 532940510 /nfs/dbraw/zinc/94/05/10/532940510.db2.gz NGKCLYWNRYKSED-SNVBAGLBSA-N 1 2 387.299 2.285 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000369764190 532940722 /nfs/dbraw/zinc/94/07/22/532940722.db2.gz BHCXYOKWBXBIPD-JTQLQIEISA-N 1 2 395.232 2.276 20 0 GEADLO CC(C)(C(=O)N[C@@H]1CCOc2ccc(Br)cc21)[NH+]1CCOCC1 ZINC000369750114 532940810 /nfs/dbraw/zinc/94/08/10/532940810.db2.gz LDAKFCIUUHZEAO-CQSZACIVSA-N 1 2 383.286 2.500 20 0 GEADLO CCSCC[C@@H](C)N(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000369871340 532941109 /nfs/dbraw/zinc/94/11/09/532941109.db2.gz IACOEIFNZCUARV-WBVHZDCISA-N 1 2 375.604 2.367 20 0 GEADLO CCSCC[C@H](C)N(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000369871339 532941120 /nfs/dbraw/zinc/94/11/20/532941120.db2.gz IACOEIFNZCUARV-RDJZCZTQSA-N 1 2 375.604 2.367 20 0 GEADLO O=C(CSc1n[nH]c(=S)s1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000370015362 532941637 /nfs/dbraw/zinc/94/16/37/532941637.db2.gz DDVBFSGNYSYWDE-UHFFFAOYSA-N 1 2 381.552 2.095 20 0 GEADLO O=C(Cc1ccc(I)cc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370518898 532943902 /nfs/dbraw/zinc/94/39/02/532943902.db2.gz STWFXECAJMZUJP-LBPRGKRZSA-N 1 2 381.217 2.231 20 0 GEADLO O=C(Cc1ccc(I)cc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370518898 532943903 /nfs/dbraw/zinc/94/39/03/532943903.db2.gz STWFXECAJMZUJP-LBPRGKRZSA-N 1 2 381.217 2.231 20 0 GEADLO O=C(Cc1ccccc1I)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371362823 532947621 /nfs/dbraw/zinc/94/76/21/532947621.db2.gz XYNIELJPCVZLBT-NSHDSACASA-N 1 2 381.217 2.231 20 0 GEADLO O=C(Cc1ccccc1I)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371362823 532947622 /nfs/dbraw/zinc/94/76/22/532947622.db2.gz XYNIELJPCVZLBT-NSHDSACASA-N 1 2 381.217 2.231 20 0 GEADLO O=C(C=Cc1ccc(I)o1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371450172 532948127 /nfs/dbraw/zinc/94/81/27/532948127.db2.gz YOAGRDCUOCJBGR-SWTNXBIASA-N 1 2 383.189 2.294 20 0 GEADLO O=C(C=Cc1ccc(I)o1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371450172 532948128 /nfs/dbraw/zinc/94/81/28/532948128.db2.gz YOAGRDCUOCJBGR-SWTNXBIASA-N 1 2 383.189 2.294 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000371045671 532946614 /nfs/dbraw/zinc/94/66/14/532946614.db2.gz WKFAEBWOGJLQIQ-GFCCVEGCSA-N 1 2 382.873 2.075 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000371089650 532947027 /nfs/dbraw/zinc/94/70/27/532947027.db2.gz RYYYSVRIXQYWEL-AWEZNQCLSA-N 1 2 389.253 2.086 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000371089650 532947028 /nfs/dbraw/zinc/94/70/28/532947028.db2.gz RYYYSVRIXQYWEL-AWEZNQCLSA-N 1 2 389.253 2.086 20 0 GEADLO C[C@H](NC(=O)[C@]1([NH+](C)C)CCCSC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000371199874 532947261 /nfs/dbraw/zinc/94/72/61/532947261.db2.gz XNYGAYJAPNLHJH-SJCJKPOMSA-N 1 2 388.530 2.234 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)CC2 ZINC000371692078 532949355 /nfs/dbraw/zinc/94/93/55/532949355.db2.gz GEXUBIQKFBMCDA-UHFFFAOYSA-N 1 2 399.195 2.213 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccc(F)cc1Br)CC2 ZINC000371736550 532949529 /nfs/dbraw/zinc/94/95/29/532949529.db2.gz OUWLJQAFLDOZOO-UHFFFAOYSA-N 1 2 381.205 2.074 20 0 GEADLO O=S(=O)(c1cccnc1)N1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190985820 570376481 /nfs/dbraw/zinc/37/64/81/570376481.db2.gz ZQWKDXRDAFJRPI-QGZVFWFLSA-N 1 2 379.526 2.270 20 0 GEADLO COc1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)ccc1OC(C)C ZINC000275656287 570697880 /nfs/dbraw/zinc/69/78/80/570697880.db2.gz KVJWEFWHOKHNAK-INIZCTEOSA-N 1 2 399.495 2.201 20 0 GEADLO COc1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)ccc1OC(C)C ZINC000275656287 570697883 /nfs/dbraw/zinc/69/78/83/570697883.db2.gz KVJWEFWHOKHNAK-INIZCTEOSA-N 1 2 399.495 2.201 20 0 GEADLO Cc1cc(NC(=O)CN(C)c2cc(N[C@@H]3CCCO[C@H]3C(C)C)[nH+]cn2)no1 ZINC000275764208 570699555 /nfs/dbraw/zinc/69/95/55/570699555.db2.gz RTBRNHPPHBXFSY-KUHUBIRLSA-N 1 2 388.472 2.463 20 0 GEADLO Cc1cc(NC(=O)CN(C)c2cc(N[C@@H]3CCCO[C@H]3C(C)C)nc[nH+]2)no1 ZINC000275764208 570699558 /nfs/dbraw/zinc/69/95/58/570699558.db2.gz RTBRNHPPHBXFSY-KUHUBIRLSA-N 1 2 388.472 2.463 20 0 GEADLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCCC1 ZINC000736115519 598877979 /nfs/dbraw/zinc/87/79/79/598877979.db2.gz YNMGFFQWGXOVCY-OAHLLOKOSA-N 1 2 383.500 2.273 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000737225976 599029574 /nfs/dbraw/zinc/02/95/74/599029574.db2.gz WSVDHUDHGGPFFY-UHFFFAOYSA-N 1 2 399.411 2.301 20 0 GEADLO COc1c(C)cc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000737023785 599073427 /nfs/dbraw/zinc/07/34/27/599073427.db2.gz NKWFJAJRJNJNJC-QGZVFWFLSA-N 1 2 380.452 2.151 20 0 GEADLO COc1c(C)cc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000737023785 599073429 /nfs/dbraw/zinc/07/34/29/599073429.db2.gz NKWFJAJRJNJNJC-QGZVFWFLSA-N 1 2 380.452 2.151 20 0 GEADLO NC(=O)[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730337 599089217 /nfs/dbraw/zinc/08/92/17/599089217.db2.gz JETWEPIXNWYKTF-LSDHHAIUSA-N 1 2 384.440 2.359 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730333 599089256 /nfs/dbraw/zinc/08/92/56/599089256.db2.gz JETWEPIXNWYKTF-GJZGRUSLSA-N 1 2 384.440 2.359 20 0 GEADLO NC(=O)[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736723 599090289 /nfs/dbraw/zinc/09/02/89/599090289.db2.gz LKNGKOOSFZGQFO-GFCCVEGCSA-N 1 2 393.270 2.007 20 0 GEADLO CCCCOc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736464008 599090629 /nfs/dbraw/zinc/09/06/29/599090629.db2.gz VORABWCCULPIJB-GOSISDBHSA-N 1 2 380.452 2.362 20 0 GEADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823323219 607263273 /nfs/dbraw/zinc/26/32/73/607263273.db2.gz HDUYULJAFYHEFF-UHFFFAOYSA-N 1 2 384.762 2.492 20 0 GEADLO c1ccc(-c2ccc(CN3CC[NH+]([C@@H]4CCOC4)CC3)cc2)c(-c2nn[nH]n2)c1 ZINC000823766564 607313142 /nfs/dbraw/zinc/31/31/42/607313142.db2.gz FGHZXRDPYFGWQF-LJQANCHMSA-N 1 2 390.491 2.440 20 0 GEADLO C[C@@H](CNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)Cn1cc[nH+]c1 ZINC000736008087 599274851 /nfs/dbraw/zinc/27/48/51/599274851.db2.gz GFTTVLHPJHFEBN-HNNXBMFYSA-N 1 2 383.456 2.065 20 0 GEADLO COc1ccccc1CC[N@H+](C)CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000737150802 598247671 /nfs/dbraw/zinc/24/76/71/598247671.db2.gz WEQQRTVNRSVPLC-UHFFFAOYSA-N 1 2 384.440 2.198 20 0 GEADLO COc1ccccc1CC[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000737150802 598247673 /nfs/dbraw/zinc/24/76/73/598247673.db2.gz WEQQRTVNRSVPLC-UHFFFAOYSA-N 1 2 384.440 2.198 20 0 GEADLO Fc1cccc(Cl)c1CC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000737662288 598249880 /nfs/dbraw/zinc/24/98/80/598249880.db2.gz SXZUELOHZRNFPO-UHFFFAOYSA-N 1 2 387.850 2.419 20 0 GEADLO CC(C)COC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735839607 598254755 /nfs/dbraw/zinc/25/47/55/598254755.db2.gz ZPBBGFGFAQJNDB-UHFFFAOYSA-N 1 2 376.436 2.306 20 0 GEADLO CC(C)COC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735839607 598254758 /nfs/dbraw/zinc/25/47/58/598254758.db2.gz ZPBBGFGFAQJNDB-UHFFFAOYSA-N 1 2 376.436 2.306 20 0 GEADLO Cc1cc(C)n([C@H]2CCC[N@H+](CC(=O)Nc3sccc3-c3nn[nH]n3)C2)n1 ZINC000737258063 598355344 /nfs/dbraw/zinc/35/53/44/598355344.db2.gz XYXYPUPYZLOCKY-ZDUSSCGKSA-N 1 2 386.485 2.017 20 0 GEADLO Cc1cc(C)n([C@H]2CCC[N@@H+](CC(=O)Nc3sccc3-c3nn[nH]n3)C2)n1 ZINC000737258063 598355346 /nfs/dbraw/zinc/35/53/46/598355346.db2.gz XYXYPUPYZLOCKY-ZDUSSCGKSA-N 1 2 386.485 2.017 20 0 GEADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)s1 ZINC000737472204 598407525 /nfs/dbraw/zinc/40/75/25/598407525.db2.gz WUZDYXYTOHSZOV-GFCCVEGCSA-N 1 2 385.497 2.249 20 0 GEADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)s1 ZINC000737472204 598407526 /nfs/dbraw/zinc/40/75/26/598407526.db2.gz WUZDYXYTOHSZOV-GFCCVEGCSA-N 1 2 385.497 2.249 20 0 GEADLO COc1c(C)c[nH+]c(CN2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1C ZINC000737026350 598474988 /nfs/dbraw/zinc/47/49/88/598474988.db2.gz QUUREXTZYFCLKD-UHFFFAOYSA-N 1 2 397.458 2.348 20 0 GEADLO COc1c(C)cnc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1C ZINC000737026350 598474989 /nfs/dbraw/zinc/47/49/89/598474989.db2.gz QUUREXTZYFCLKD-UHFFFAOYSA-N 1 2 397.458 2.348 20 0 GEADLO C[NH+]1CCN(C[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)c2ccccc2)CC1 ZINC000736863430 598522876 /nfs/dbraw/zinc/52/28/76/598522876.db2.gz KPUKXIFKTNLQOA-GOSISDBHSA-N 1 2 381.459 2.406 20 0 GEADLO O=C(c1c(F)cccc1F)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000738247459 598524776 /nfs/dbraw/zinc/52/47/76/598524776.db2.gz PNTFVVUPUNZHIR-UHFFFAOYSA-N 1 2 384.390 2.103 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCN(C)c3ccccc3C2)c(-c2nn[nH]n2)c1C ZINC000737548936 598526359 /nfs/dbraw/zinc/52/63/59/598526359.db2.gz RJZMFMJMGPJKOQ-CYBMUJFWSA-N 1 2 395.467 2.356 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCN(C)c3ccccc3C2)c(-c2nn[nH]n2)c1C ZINC000737548936 598526361 /nfs/dbraw/zinc/52/63/61/598526361.db2.gz RJZMFMJMGPJKOQ-CYBMUJFWSA-N 1 2 395.467 2.356 20 0 GEADLO C[C@@H](Cn1cccn1)Nc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000736081572 598543466 /nfs/dbraw/zinc/54/34/66/598543466.db2.gz SCPKUWXLWJPNNG-JTQLQIEISA-N 1 2 386.366 2.135 20 0 GEADLO COc1ccccc1C[NH+]1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000737149352 598553088 /nfs/dbraw/zinc/55/30/88/598553088.db2.gz GSBWEPNENKYQND-UHFFFAOYSA-N 1 2 382.443 2.332 20 0 GEADLO CCc1nnc([C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)o1 ZINC000736707023 598701658 /nfs/dbraw/zinc/70/16/58/598701658.db2.gz OQVKOLLZCKKCSY-GFCCVEGCSA-N 1 2 396.455 2.224 20 0 GEADLO CCc1nnc([C@H](C)[NH+]2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)o1 ZINC000736707024 598702014 /nfs/dbraw/zinc/70/20/14/598702014.db2.gz OQVKOLLZCKKCSY-LBPRGKRZSA-N 1 2 396.455 2.224 20 0 GEADLO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000737194624 598707789 /nfs/dbraw/zinc/70/77/89/598707789.db2.gz PPYMHSUBTKJUMQ-QGZVFWFLSA-N 1 2 378.480 2.452 20 0 GEADLO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000737194624 598707790 /nfs/dbraw/zinc/70/77/90/598707790.db2.gz PPYMHSUBTKJUMQ-QGZVFWFLSA-N 1 2 378.480 2.452 20 0 GEADLO C[C@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736059663 598742265 /nfs/dbraw/zinc/74/22/65/598742265.db2.gz VDYKGDFKMRQREN-QGZVFWFLSA-N 1 2 390.491 2.390 20 0 GEADLO O=C([C@H]1CCc2ccccc21)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737789823 598816336 /nfs/dbraw/zinc/81/63/36/598816336.db2.gz CXESJNHTUQHIDI-FQEVSTJZSA-N 1 2 388.475 2.241 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)C[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000822225327 599423653 /nfs/dbraw/zinc/42/36/53/599423653.db2.gz YPVZTVSJGQGQRD-UHFFFAOYSA-N 1 2 391.229 2.259 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)c1C ZINC000821698645 599428352 /nfs/dbraw/zinc/42/83/52/599428352.db2.gz SKLFFUWBCDFDRZ-UHFFFAOYSA-N 1 2 385.403 2.026 20 0 GEADLO COCCOc1cccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)c1 ZINC000821693647 599482530 /nfs/dbraw/zinc/48/25/30/599482530.db2.gz HWKSJKDKTAQVCR-UHFFFAOYSA-N 1 2 376.420 2.474 20 0 GEADLO c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCC(c2nnc3n2CCC3)CC1 ZINC000823791665 599484321 /nfs/dbraw/zinc/48/43/21/599484321.db2.gz HNGWNBUIDNXTMK-UHFFFAOYSA-N 1 2 387.451 2.337 20 0 GEADLO O=C(CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)N1CCCc2ccccc21 ZINC000823009240 599494461 /nfs/dbraw/zinc/49/44/61/599494461.db2.gz ANFVIAIELAOOIJ-UHFFFAOYSA-N 1 2 385.431 2.228 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@H](Cn2cncn2)C1 ZINC000822331340 599547104 /nfs/dbraw/zinc/54/71/04/599547104.db2.gz FHOSPEDXLHSKHY-AWEZNQCLSA-N 1 2 375.440 2.231 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000736693046 599573178 /nfs/dbraw/zinc/57/31/78/599573178.db2.gz VXRQURHZYJKULO-UHFFFAOYSA-N 1 2 396.520 2.378 20 0 GEADLO Cc1cc(C)c(-c2nn[nH]n2)c(N2CCn3c(Cc4ccccc4)nnc3C2)[nH+]1 ZINC000822192861 599588472 /nfs/dbraw/zinc/58/84/72/599588472.db2.gz DCNMYXMRDBIXLD-UHFFFAOYSA-N 1 2 387.451 2.081 20 0 GEADLO CC[N@H+](C)[C@H](C(=O)OCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821159479 599663270 /nfs/dbraw/zinc/66/32/70/599663270.db2.gz CBRXFNPREOHAHP-SFHVURJKSA-N 1 2 381.436 2.482 20 0 GEADLO CC[N@@H+](C)[C@H](C(=O)OCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821159479 599663271 /nfs/dbraw/zinc/66/32/71/599663271.db2.gz CBRXFNPREOHAHP-SFHVURJKSA-N 1 2 381.436 2.482 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](CCO)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000822540667 607454410 /nfs/dbraw/zinc/45/44/10/607454410.db2.gz FASYVXNYUOXCSD-HNNXBMFYSA-N 1 2 384.440 2.071 20 0 GEADLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](CCO)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000822540667 607454412 /nfs/dbraw/zinc/45/44/12/607454412.db2.gz FASYVXNYUOXCSD-HNNXBMFYSA-N 1 2 384.440 2.071 20 0 GEADLO CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737506626 600574309 /nfs/dbraw/zinc/57/43/09/600574309.db2.gz ZNVMDPPLVFRBDO-UZLBHIALSA-N 1 2 398.507 2.139 20 0 GEADLO CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737506626 600574310 /nfs/dbraw/zinc/57/43/10/600574310.db2.gz ZNVMDPPLVFRBDO-UZLBHIALSA-N 1 2 398.507 2.139 20 0 GEADLO O=C([O-])c1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000833335726 600798019 /nfs/dbraw/zinc/79/80/19/600798019.db2.gz BBUKSKPETTXKHD-UKRRQHHQSA-N 1 2 386.477 2.381 20 0 GEADLO O=C([O-])c1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000833335726 600798021 /nfs/dbraw/zinc/79/80/21/600798021.db2.gz BBUKSKPETTXKHD-UKRRQHHQSA-N 1 2 386.477 2.381 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c(-c2nn[nH]n2)c1C ZINC000826342160 607474037 /nfs/dbraw/zinc/47/40/37/607474037.db2.gz ZKLJLMOBQXEDKL-WBMJQRKESA-N 1 2 396.451 2.339 20 0 GEADLO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c(-c2nn[nH]n2)c1C ZINC000826342160 607474041 /nfs/dbraw/zinc/47/40/41/607474041.db2.gz ZKLJLMOBQXEDKL-WBMJQRKESA-N 1 2 396.451 2.339 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000736797198 600954928 /nfs/dbraw/zinc/95/49/28/600954928.db2.gz JCFHUUQMTICUCG-MSOLQXFVSA-N 1 2 379.545 2.142 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000736797198 600954931 /nfs/dbraw/zinc/95/49/31/600954931.db2.gz JCFHUUQMTICUCG-MSOLQXFVSA-N 1 2 379.545 2.142 20 0 GEADLO C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000827356784 601291458 /nfs/dbraw/zinc/29/14/58/601291458.db2.gz TXOXYWJAYJAUAQ-QFBILLFUSA-N 1 2 391.487 2.188 20 0 GEADLO C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000827356784 601291460 /nfs/dbraw/zinc/29/14/60/601291460.db2.gz TXOXYWJAYJAUAQ-QFBILLFUSA-N 1 2 391.487 2.188 20 0 GEADLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)cn1 ZINC000825985846 607503373 /nfs/dbraw/zinc/50/33/73/607503373.db2.gz CLNRVXFKUPLKCH-SFHVURJKSA-N 1 2 378.415 2.356 20 0 GEADLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)cn1 ZINC000825985846 607503374 /nfs/dbraw/zinc/50/33/74/607503374.db2.gz CLNRVXFKUPLKCH-SFHVURJKSA-N 1 2 378.415 2.356 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)C1CC1 ZINC000825493926 607519565 /nfs/dbraw/zinc/51/95/65/607519565.db2.gz QRISWQJTFRUJGR-IBGZPJMESA-N 1 2 392.463 2.401 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)C1CC1 ZINC000825493926 607519566 /nfs/dbraw/zinc/51/95/66/607519566.db2.gz QRISWQJTFRUJGR-IBGZPJMESA-N 1 2 392.463 2.401 20 0 GEADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000826189759 607521799 /nfs/dbraw/zinc/52/17/99/607521799.db2.gz DMLMFWXTZNWZNP-KRWDZBQOSA-N 1 2 393.451 2.182 20 0 GEADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000826189759 607521801 /nfs/dbraw/zinc/52/18/01/607521801.db2.gz DMLMFWXTZNWZNP-KRWDZBQOSA-N 1 2 393.451 2.182 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000828464536 603303450 /nfs/dbraw/zinc/30/34/50/603303450.db2.gz CPUGKUDLAJUILX-UHFFFAOYSA-N 1 2 389.500 2.217 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000828464536 603303453 /nfs/dbraw/zinc/30/34/53/603303453.db2.gz CPUGKUDLAJUILX-UHFFFAOYSA-N 1 2 389.500 2.217 20 0 GEADLO COc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1-c1nn[nH]n1 ZINC000826201157 607628387 /nfs/dbraw/zinc/62/83/87/607628387.db2.gz BPKMDCGBEIRIBI-UHFFFAOYSA-N 1 2 389.419 2.050 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c(-c2nn[nH]n2)c1C ZINC000826341793 607641696 /nfs/dbraw/zinc/64/16/96/607641696.db2.gz QFARIQQZSJCWOT-CHWSQXEVSA-N 1 2 376.486 2.375 20 0 GEADLO Cc1oc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c(-c2nn[nH]n2)c1C ZINC000826341793 607641697 /nfs/dbraw/zinc/64/16/97/607641697.db2.gz QFARIQQZSJCWOT-CHWSQXEVSA-N 1 2 376.486 2.375 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c(-c2nn[nH]n2)c1C ZINC000826341796 607641796 /nfs/dbraw/zinc/64/17/96/607641796.db2.gz QFARIQQZSJCWOT-STQMWFEESA-N 1 2 376.486 2.375 20 0 GEADLO Cc1oc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c(-c2nn[nH]n2)c1C ZINC000826341796 607641797 /nfs/dbraw/zinc/64/17/97/607641797.db2.gz QFARIQQZSJCWOT-STQMWFEESA-N 1 2 376.486 2.375 20 0 GEADLO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000444175425 649938439 /nfs/dbraw/zinc/93/84/39/649938439.db2.gz KESOWVKPGCSXAU-LLVKDONJSA-N 1 2 378.420 2.204 20 0 GEADLO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000444175425 649938442 /nfs/dbraw/zinc/93/84/42/649938442.db2.gz KESOWVKPGCSXAU-LLVKDONJSA-N 1 2 378.420 2.204 20 0 GEADLO C[NH+]1CCC(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)([NH+]2CCCCC2)CC1 ZINC000830923327 604292720 /nfs/dbraw/zinc/29/27/20/604292720.db2.gz HECUOORPNAKJNH-UHFFFAOYSA-N 1 2 377.460 2.204 20 0 GEADLO C[C@@]1([NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCCC[C@@H]1C(=O)[O-] ZINC000833574239 605072296 /nfs/dbraw/zinc/07/22/96/605072296.db2.gz ZXBXRISWEYMQSU-VQIMIIECSA-N 1 2 379.526 2.015 20 0 GEADLO C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000826067656 605102434 /nfs/dbraw/zinc/10/24/34/605102434.db2.gz LTKPSSDAQWVNOV-XYVMCAHJSA-N 1 2 376.501 2.385 20 0 GEADLO C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000826067656 605102438 /nfs/dbraw/zinc/10/24/38/605102438.db2.gz LTKPSSDAQWVNOV-XYVMCAHJSA-N 1 2 376.501 2.385 20 0 GEADLO O=C([O-])N1CC[C@]2(C1)C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1O2 ZINC000834081758 605632355 /nfs/dbraw/zinc/63/23/55/605632355.db2.gz BWBYBKMEHQSKAF-WIYYLYMNSA-N 1 2 389.496 2.069 20 0 GEADLO CC[N@H+](CC(=O)Nc1nc(C2CC2)no1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821164883 606100266 /nfs/dbraw/zinc/10/02/66/606100266.db2.gz LJVOTNWBRRAOQI-NSHDSACASA-N 1 2 382.428 2.149 20 0 GEADLO CC[N@@H+](CC(=O)Nc1nc(C2CC2)no1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821164883 606100269 /nfs/dbraw/zinc/10/02/69/606100269.db2.gz LJVOTNWBRRAOQI-NSHDSACASA-N 1 2 382.428 2.149 20 0 GEADLO Cc1cccn2cc(CCNC(=O)NCc3ccc(-c4nn[nH]n4)cc3F)[nH+]c12 ZINC000822366066 606117568 /nfs/dbraw/zinc/11/75/68/606117568.db2.gz AGSKVNICIDPGGA-UHFFFAOYSA-N 1 2 394.414 2.004 20 0 GEADLO O=S(=O)(CC[N@H+]1CCC[C@@H]1c1ccc(O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561637 606186665 /nfs/dbraw/zinc/18/66/65/606186665.db2.gz HIWWEQOJEGXWQS-GOSISDBHSA-N 1 2 399.476 2.183 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561637 606186667 /nfs/dbraw/zinc/18/66/67/606186667.db2.gz HIWWEQOJEGXWQS-GOSISDBHSA-N 1 2 399.476 2.183 20 0 GEADLO Cc1ccccc1CC(N)=[NH+]OCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822356147 606202222 /nfs/dbraw/zinc/20/22/22/606202222.db2.gz KRBDTRSXLFAYOD-UHFFFAOYSA-N 1 2 390.407 2.466 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821277791 606309386 /nfs/dbraw/zinc/30/93/86/606309386.db2.gz ZAEJSMKXFOYMCP-IBGZPJMESA-N 1 2 393.447 2.298 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821277791 606309387 /nfs/dbraw/zinc/30/93/87/606309387.db2.gz ZAEJSMKXFOYMCP-IBGZPJMESA-N 1 2 393.447 2.298 20 0 GEADLO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)cn1 ZINC000822477050 606349598 /nfs/dbraw/zinc/34/95/98/606349598.db2.gz FACMUOWUOAUUKZ-UHFFFAOYSA-N 1 2 393.386 2.217 20 0 GEADLO FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000822732566 606480680 /nfs/dbraw/zinc/48/06/80/606480680.db2.gz KHDFBMKKEARTSR-UHFFFAOYSA-N 1 2 387.394 2.185 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCS[C@H]2CCCC[C@@H]21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562667 606528245 /nfs/dbraw/zinc/52/82/45/606528245.db2.gz VRJHOSINPPXURN-HOTGVXAUSA-N 1 2 393.538 2.000 20 0 GEADLO O=S(=O)(CC[N@H+]1CCS[C@H]2CCCC[C@@H]21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562667 606528247 /nfs/dbraw/zinc/52/82/47/606528247.db2.gz VRJHOSINPPXURN-HOTGVXAUSA-N 1 2 393.538 2.000 20 0 GEADLO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(-c4nn[nH]n4)s3)c2)CCO1 ZINC000820759351 606534376 /nfs/dbraw/zinc/53/43/76/606534376.db2.gz JPJRQBANTYLFSC-ZDUSSCGKSA-N 1 2 398.492 2.079 20 0 GEADLO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(-c4nn[nH]n4)s3)c2)CCO1 ZINC000820759351 606534378 /nfs/dbraw/zinc/53/43/78/606534378.db2.gz JPJRQBANTYLFSC-ZDUSSCGKSA-N 1 2 398.492 2.079 20 0 GEADLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CCn2cc[nH+]c2)c1-c1nn[nH]n1 ZINC000822015819 606577069 /nfs/dbraw/zinc/57/70/69/606577069.db2.gz PENCFZIBHVUYLY-UHFFFAOYSA-N 1 2 380.412 2.152 20 0 GEADLO Cn1cc[nH+]c1C[C@@H](NC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000822699152 606577992 /nfs/dbraw/zinc/57/79/92/606577992.db2.gz QGJFQJOEXCHJQZ-GOSISDBHSA-N 1 2 387.447 2.243 20 0 GEADLO COCC[N@H+](CC(=O)c1cc(C)n(C)c1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821688959 606646431 /nfs/dbraw/zinc/64/64/31/606646431.db2.gz FLFZGWQCMKCGFX-UHFFFAOYSA-N 1 2 382.468 2.153 20 0 GEADLO COCC[N@@H+](CC(=O)c1cc(C)n(C)c1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821688959 606646432 /nfs/dbraw/zinc/64/64/32/606646432.db2.gz FLFZGWQCMKCGFX-UHFFFAOYSA-N 1 2 382.468 2.153 20 0 GEADLO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000822541745 606809514 /nfs/dbraw/zinc/80/95/14/606809514.db2.gz PVWUYXSGWYMCHK-UHFFFAOYSA-N 1 2 388.391 2.137 20 0 GEADLO CC[C@@H]1CCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820973151 606811512 /nfs/dbraw/zinc/81/15/12/606811512.db2.gz UOCPOTWGJYWAAB-SJLPKXTDSA-N 1 2 383.500 2.273 20 0 GEADLO Cc1ccccc1CN1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822361914 606849561 /nfs/dbraw/zinc/84/95/61/606849561.db2.gz KJPAUXPUHNXJAN-FQEVSTJZSA-N 1 2 378.480 2.026 20 0 GEADLO COC(=O)c1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000821668919 606879729 /nfs/dbraw/zinc/87/97/29/606879729.db2.gz PFHNSGJEROCDFD-UHFFFAOYSA-N 1 2 398.492 2.033 20 0 GEADLO CCO[C@@H](C)c1noc(C[N@H+](C)CCCOc2cccc(-c3nn[nH]n3)c2)n1 ZINC000821345936 606905093 /nfs/dbraw/zinc/90/50/93/606905093.db2.gz ATKMKYSWTRBECI-ZDUSSCGKSA-N 1 2 387.444 2.248 20 0 GEADLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCCOc2cccc(-c3nn[nH]n3)c2)n1 ZINC000821345936 606905094 /nfs/dbraw/zinc/90/50/94/606905094.db2.gz ATKMKYSWTRBECI-ZDUSSCGKSA-N 1 2 387.444 2.248 20 0 GEADLO O[C@H](C[C@H]1COCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000823674524 606915541 /nfs/dbraw/zinc/91/55/41/606915541.db2.gz RBVRBLUWKKBQGN-FUHWJXTLSA-N 1 2 399.451 2.053 20 0 GEADLO O[C@H](C[C@H]1COCC[N@H+]1CCCOc1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000823674524 606915542 /nfs/dbraw/zinc/91/55/42/606915542.db2.gz RBVRBLUWKKBQGN-FUHWJXTLSA-N 1 2 399.451 2.053 20 0 GEADLO CSc1ccccc1NC(=O)C[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821983265 606919623 /nfs/dbraw/zinc/91/96/23/606919623.db2.gz FOKNSZCAVGWRJN-INIZCTEOSA-N 1 2 398.492 2.193 20 0 GEADLO CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821983265 606919625 /nfs/dbraw/zinc/91/96/25/606919625.db2.gz FOKNSZCAVGWRJN-INIZCTEOSA-N 1 2 398.492 2.193 20 0 GEADLO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000819996564 607022063 /nfs/dbraw/zinc/02/20/63/607022063.db2.gz HVQPSAGLPDCDBZ-UHFFFAOYSA-N 1 2 395.467 2.428 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](OCC(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822540437 607089520 /nfs/dbraw/zinc/08/95/20/607089520.db2.gz AVWYZDSJXDRZGL-GXTWGEPZSA-N 1 2 376.461 2.150 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](OCC(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822540437 607089522 /nfs/dbraw/zinc/08/95/22/607089522.db2.gz AVWYZDSJXDRZGL-GXTWGEPZSA-N 1 2 376.461 2.150 20 0 GEADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000825626347 607802759 /nfs/dbraw/zinc/80/27/59/607802759.db2.gz KSFQPYQPKXHABH-AWEZNQCLSA-N 1 2 394.439 2.061 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCCc2sccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484588 607828454 /nfs/dbraw/zinc/82/84/54/607828454.db2.gz IPHLAXLOSATYQQ-UHFFFAOYSA-N 1 2 389.506 2.150 20 0 GEADLO O=S(=O)(CC[N@H+]1CCCc2sccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484588 607828455 /nfs/dbraw/zinc/82/84/55/607828455.db2.gz IPHLAXLOSATYQQ-UHFFFAOYSA-N 1 2 389.506 2.150 20 0 GEADLO Cc1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000826285725 607828955 /nfs/dbraw/zinc/82/89/55/607828955.db2.gz HZIQQLIVZGMCCC-MRXNPFEDSA-N 1 2 387.465 2.379 20 0 GEADLO Cc1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000826285725 607828956 /nfs/dbraw/zinc/82/89/56/607828956.db2.gz HZIQQLIVZGMCCC-MRXNPFEDSA-N 1 2 387.465 2.379 20 0 GEADLO O=C(NCC12CCC(CC1)C2)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826434393 607941122 /nfs/dbraw/zinc/94/11/22/607941122.db2.gz LPPUMDSEWMEEIN-UHFFFAOYSA-N 1 2 395.511 2.274 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000826029165 608041221 /nfs/dbraw/zinc/04/12/21/608041221.db2.gz PUTRXSNCXVACAE-HOCLYGCPSA-N 1 2 383.843 2.090 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000826029165 608041222 /nfs/dbraw/zinc/04/12/22/608041222.db2.gz PUTRXSNCXVACAE-HOCLYGCPSA-N 1 2 383.843 2.090 20 0 GEADLO c1cc2nsnc2c(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826513269 608067914 /nfs/dbraw/zinc/06/79/14/608067914.db2.gz GIILRGNSGHXQII-MRXNPFEDSA-N 1 2 379.449 2.445 20 0 GEADLO c1cc2nsnc2c(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826513269 608067915 /nfs/dbraw/zinc/06/79/15/608067915.db2.gz GIILRGNSGHXQII-MRXNPFEDSA-N 1 2 379.449 2.445 20 0 GEADLO O=C(c1cccnc1C1CC1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826474793 608144363 /nfs/dbraw/zinc/14/43/63/608144363.db2.gz FWPKXGWISONMSF-UHFFFAOYSA-N 1 2 389.463 2.097 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1CO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000826184731 608152255 /nfs/dbraw/zinc/15/22/55/608152255.db2.gz ISTVJNYOLBDUII-UHFFFAOYSA-N 1 2 398.423 2.134 20 0 GEADLO Cc1ccc(F)c(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1F ZINC000826288982 608269892 /nfs/dbraw/zinc/26/98/92/608269892.db2.gz FQWSPNBIPYTIFR-UHFFFAOYSA-N 1 2 398.417 2.411 20 0 GEADLO COC(=O)C1([N@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CCCC1 ZINC000826123546 608316954 /nfs/dbraw/zinc/31/69/54/608316954.db2.gz GDKJNDQXQSJRQG-UHFFFAOYSA-N 1 2 395.467 2.278 20 0 GEADLO COC(=O)C1([N@@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CCCC1 ZINC000826123546 608316956 /nfs/dbraw/zinc/31/69/56/608316956.db2.gz GDKJNDQXQSJRQG-UHFFFAOYSA-N 1 2 395.467 2.278 20 0 GEADLO FC(F)CN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000826369491 608321704 /nfs/dbraw/zinc/32/17/04/608321704.db2.gz FRIROHVUFHEBDY-UHFFFAOYSA-N 1 2 388.369 2.241 20 0 GEADLO FC(F)CN1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000826369491 608321706 /nfs/dbraw/zinc/32/17/06/608321706.db2.gz FRIROHVUFHEBDY-UHFFFAOYSA-N 1 2 388.369 2.241 20 0 GEADLO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)Cc1cccnc1 ZINC000824051815 608454647 /nfs/dbraw/zinc/45/46/47/608454647.db2.gz FUMDZPDFTNNRCW-LLVKDONJSA-N 1 2 383.481 2.271 20 0 GEADLO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+](C)Cc1cccnc1 ZINC000824051815 608454648 /nfs/dbraw/zinc/45/46/48/608454648.db2.gz FUMDZPDFTNNRCW-LLVKDONJSA-N 1 2 383.481 2.271 20 0 GEADLO c1nc([C@H]2CCCO2)sc1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826521968 608516145 /nfs/dbraw/zinc/51/61/45/608516145.db2.gz GAMSTXKXDLCHOC-QGZVFWFLSA-N 1 2 397.508 2.497 20 0 GEADLO CS(=O)(=O)c1ccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000826224162 608519167 /nfs/dbraw/zinc/51/91/67/608519167.db2.gz RNGKOCOYFOZDAR-UHFFFAOYSA-N 1 2 383.477 2.435 20 0 GEADLO CS(=O)(=O)c1ccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000826224162 608519168 /nfs/dbraw/zinc/51/91/68/608519168.db2.gz RNGKOCOYFOZDAR-UHFFFAOYSA-N 1 2 383.477 2.435 20 0 GEADLO Cc1cccn2c(C[NH+]3CCN(c4cccc(F)c4-c4nn[nH]n4)CC3)cnc12 ZINC000826308339 608596271 /nfs/dbraw/zinc/59/62/71/608596271.db2.gz VDTZNHUDPCDKLT-UHFFFAOYSA-N 1 2 392.442 2.284 20 0 GEADLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000825395811 608644030 /nfs/dbraw/zinc/64/40/30/608644030.db2.gz WCYVOPJOXKCPOX-UHFFFAOYSA-N 1 2 386.406 2.283 20 0 GEADLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000825395811 608644033 /nfs/dbraw/zinc/64/40/33/608644033.db2.gz WCYVOPJOXKCPOX-UHFFFAOYSA-N 1 2 386.406 2.283 20 0 GEADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825006293 608673909 /nfs/dbraw/zinc/67/39/09/608673909.db2.gz IJKIMLBJPBCJAX-KBXCAEBGSA-N 1 2 375.436 2.476 20 0 GEADLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825006293 608673911 /nfs/dbraw/zinc/67/39/11/608673911.db2.gz IJKIMLBJPBCJAX-KBXCAEBGSA-N 1 2 375.436 2.476 20 0 GEADLO CC[N@H+](CC(=O)OC)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825399550 608677037 /nfs/dbraw/zinc/67/70/37/608677037.db2.gz XOYAZSBPLJSUBI-UHFFFAOYSA-N 1 2 381.436 2.441 20 0 GEADLO CC[N@@H+](CC(=O)OC)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825399550 608677039 /nfs/dbraw/zinc/67/70/39/608677039.db2.gz XOYAZSBPLJSUBI-UHFFFAOYSA-N 1 2 381.436 2.441 20 0 GEADLO CC(C)c1noc([C@@H](C)N2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)n1 ZINC000824364669 608685255 /nfs/dbraw/zinc/68/52/55/608685255.db2.gz PKJGNTQBJHMAIL-GFCCVEGCSA-N 1 2 388.501 2.313 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000825001348 608840002 /nfs/dbraw/zinc/84/00/02/608840002.db2.gz ZQGUDKNZNMMYJB-HSWBROFVSA-N 1 2 380.431 2.020 20 0 GEADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000825001348 608840004 /nfs/dbraw/zinc/84/00/04/608840004.db2.gz ZQGUDKNZNMMYJB-HSWBROFVSA-N 1 2 380.431 2.020 20 0 GEADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825007144 608842178 /nfs/dbraw/zinc/84/21/78/608842178.db2.gz WFODWWXUZBWSGP-BEFAXECRSA-N 1 2 395.463 2.027 20 0 GEADLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825007144 608842180 /nfs/dbraw/zinc/84/21/80/608842180.db2.gz WFODWWXUZBWSGP-BEFAXECRSA-N 1 2 395.463 2.027 20 0 GEADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825005673 608842563 /nfs/dbraw/zinc/84/25/63/608842563.db2.gz BPZFGAIZNYPFLX-MGPUTAFESA-N 1 2 395.463 2.027 20 0 GEADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825005673 608842567 /nfs/dbraw/zinc/84/25/67/608842567.db2.gz BPZFGAIZNYPFLX-MGPUTAFESA-N 1 2 395.463 2.027 20 0 GEADLO CCS(=O)(=O)c1ccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1 ZINC000825669135 609170039 /nfs/dbraw/zinc/17/00/39/609170039.db2.gz QLWDJRMFUZOFCZ-UHFFFAOYSA-N 1 2 394.460 2.243 20 0 GEADLO Cc1cc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)ccc1Cl ZINC000826266208 609172137 /nfs/dbraw/zinc/17/21/37/609172137.db2.gz GUDHJOBPHACCOP-ZDUSSCGKSA-N 1 2 384.875 2.329 20 0 GEADLO Cc1cc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)ccc1Cl ZINC000826266208 609172139 /nfs/dbraw/zinc/17/21/39/609172139.db2.gz GUDHJOBPHACCOP-ZDUSSCGKSA-N 1 2 384.875 2.329 20 0 GEADLO O=C(c1cccc2[nH+]ccn21)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826474553 609184508 /nfs/dbraw/zinc/18/45/08/609184508.db2.gz VLEOMBITGLYXGY-UHFFFAOYSA-N 1 2 389.419 2.198 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826030003 609229974 /nfs/dbraw/zinc/22/99/74/609229974.db2.gz ZIIBEIHIHOFODM-HIFRSBDPSA-N 1 2 389.822 2.163 20 0 GEADLO O[C@H](C[N@H+](Cc1ccccc1)Cc1ccnc(-c2nn[nH]n2)c1)C(F)(F)F ZINC000826503093 609296812 /nfs/dbraw/zinc/29/68/12/609296812.db2.gz QIFZXHPOMXEDHI-OAHLLOKOSA-N 1 2 378.358 2.187 20 0 GEADLO O[C@H](C[N@@H+](Cc1ccccc1)Cc1ccnc(-c2nn[nH]n2)c1)C(F)(F)F ZINC000826503093 609296813 /nfs/dbraw/zinc/29/68/13/609296813.db2.gz QIFZXHPOMXEDHI-OAHLLOKOSA-N 1 2 378.358 2.187 20 0 GEADLO FC(F)O[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000826369982 609299803 /nfs/dbraw/zinc/29/98/03/609299803.db2.gz YLFDYEKGHHOGFK-GFCCVEGCSA-N 1 2 377.355 2.120 20 0 GEADLO FC(F)O[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000826369982 609299805 /nfs/dbraw/zinc/29/98/05/609299805.db2.gz YLFDYEKGHHOGFK-GFCCVEGCSA-N 1 2 377.355 2.120 20 0 GEADLO Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000823821630 609363635 /nfs/dbraw/zinc/36/36/35/609363635.db2.gz WYVKJPNDVDMAFQ-UHFFFAOYSA-N 1 2 394.273 2.011 20 0 GEADLO Brc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000823821630 609363638 /nfs/dbraw/zinc/36/36/38/609363638.db2.gz WYVKJPNDVDMAFQ-UHFFFAOYSA-N 1 2 394.273 2.011 20 0 GEADLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826504800 609365446 /nfs/dbraw/zinc/36/54/46/609365446.db2.gz DTXODUURZJUKLM-LBPRGKRZSA-N 1 2 392.179 2.128 20 0 GEADLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000826504800 609365447 /nfs/dbraw/zinc/36/54/47/609365447.db2.gz DTXODUURZJUKLM-LBPRGKRZSA-N 1 2 392.179 2.128 20 0 GEADLO O=C(Nc1ccnc(Cl)c1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826458800 609384798 /nfs/dbraw/zinc/38/47/98/609384798.db2.gz GUGQHKSQWRYDMX-UHFFFAOYSA-N 1 2 398.858 2.265 20 0 GEADLO CCN1CC[NH+](Cc2ccc(CNc3nccc(C)c3-c3nn[nH]n3)cc2)CC1 ZINC000825458998 609533460 /nfs/dbraw/zinc/53/34/60/609533460.db2.gz GWIFTYJAXHRLFY-UHFFFAOYSA-N 1 2 392.511 2.320 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N(C)Cc1cnc(N(C)C)nc1 ZINC000826304799 609556811 /nfs/dbraw/zinc/55/68/11/609556811.db2.gz YQFLYOFINDFZML-UHFFFAOYSA-N 1 2 375.440 2.216 20 0 GEADLO Cn1c2ccccc2[nH+]c1N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826355820 609574443 /nfs/dbraw/zinc/57/44/43/609574443.db2.gz OFYDMMKMNGCXLR-INIZCTEOSA-N 1 2 388.435 2.361 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)C1 ZINC000448007499 650012754 /nfs/dbraw/zinc/01/27/54/650012754.db2.gz AIBJVODZFQVPKR-CYBMUJFWSA-N 1 2 381.527 2.167 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)C1 ZINC000448007499 650012755 /nfs/dbraw/zinc/01/27/55/650012755.db2.gz AIBJVODZFQVPKR-CYBMUJFWSA-N 1 2 381.527 2.167 20 0 GEADLO COc1nccnc1C[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000449252840 650036021 /nfs/dbraw/zinc/03/60/21/650036021.db2.gz TWUAVBCFTCJCPR-CQSZACIVSA-N 1 2 391.269 2.451 20 0 GEADLO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]Cc1nn(C)cc1Br ZINC000449483324 650041714 /nfs/dbraw/zinc/04/17/14/650041714.db2.gz IHKPJVBEAFULRU-ZDUSSCGKSA-N 1 2 379.302 2.410 20 0 GEADLO Cc1cc(C)c(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1Br ZINC000449916316 650055654 /nfs/dbraw/zinc/05/56/54/650055654.db2.gz QMOWLDHZESGXNE-UHFFFAOYSA-N 1 2 392.301 2.115 20 0 GEADLO CCNC(=O)CN1CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000450219811 650062324 /nfs/dbraw/zinc/06/23/24/650062324.db2.gz ZGWIMELWYXPFLN-UHFFFAOYSA-N 1 2 396.329 2.166 20 0 GEADLO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)c(F)cc1O ZINC000450238222 650062608 /nfs/dbraw/zinc/06/26/08/650062608.db2.gz AOOMYWGQFVYSRD-LLVKDONJSA-N 1 2 389.265 2.261 20 0 GEADLO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)c(F)cc1O ZINC000450238222 650062610 /nfs/dbraw/zinc/06/26/10/650062610.db2.gz AOOMYWGQFVYSRD-LLVKDONJSA-N 1 2 389.265 2.261 20 0 GEADLO CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000450250591 650063106 /nfs/dbraw/zinc/06/31/06/650063106.db2.gz LRGZSONYDOWEAQ-LBPRGKRZSA-N 1 2 381.325 2.461 20 0 GEADLO O=S(=O)(Cc1ccc(Br)c(F)c1)NCCCn1cc[nH+]c1 ZINC000450971447 650077087 /nfs/dbraw/zinc/07/70/87/650077087.db2.gz TYYUSUGNECPMLP-UHFFFAOYSA-N 1 2 376.251 2.294 20 0 GEADLO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1CC[N@@H+]1CCOC[C@H]1C ZINC000451274150 650099944 /nfs/dbraw/zinc/09/99/44/650099944.db2.gz FZIYSZHDXVHMGB-DYVFJYSZSA-N 1 2 397.313 2.070 20 0 GEADLO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1CC[N@H+]1CCOC[C@H]1C ZINC000451274150 650099946 /nfs/dbraw/zinc/09/99/46/650099946.db2.gz FZIYSZHDXVHMGB-DYVFJYSZSA-N 1 2 397.313 2.070 20 0 GEADLO Cc1csc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000451341773 650105253 /nfs/dbraw/zinc/10/52/53/650105253.db2.gz LTLJHLCIDURDET-DLBZAZTESA-N 1 2 380.535 2.218 20 0 GEADLO Cc1csc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000451341773 650105256 /nfs/dbraw/zinc/10/52/56/650105256.db2.gz LTLJHLCIDURDET-DLBZAZTESA-N 1 2 380.535 2.218 20 0 GEADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451575366 650126977 /nfs/dbraw/zinc/12/69/77/650126977.db2.gz XNDXDJJUHUBOEQ-OCCSQVGLSA-N 1 2 398.301 2.099 20 0 GEADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451575366 650126980 /nfs/dbraw/zinc/12/69/80/650126980.db2.gz XNDXDJJUHUBOEQ-OCCSQVGLSA-N 1 2 398.301 2.099 20 0 GEADLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1C(F)(F)F ZINC000451888113 650150204 /nfs/dbraw/zinc/15/02/04/650150204.db2.gz IPUBINRYNAKRFD-BETUJISGSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1C(F)(F)F ZINC000451888113 650150206 /nfs/dbraw/zinc/15/02/06/650150206.db2.gz IPUBINRYNAKRFD-BETUJISGSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccn(CC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000451907635 650151904 /nfs/dbraw/zinc/15/19/04/650151904.db2.gz XRKOZBVVNDTZGJ-UHFFFAOYSA-N 1 2 392.257 2.473 20 0 GEADLO COC[C@@]1(CO)CC[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000451927969 650154187 /nfs/dbraw/zinc/15/41/87/650154187.db2.gz OAEHAZNNWNUCRZ-AWEZNQCLSA-N 1 2 388.287 2.391 20 0 GEADLO COC[C@@]1(CO)CC[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000451927969 650154198 /nfs/dbraw/zinc/15/41/98/650154198.db2.gz OAEHAZNNWNUCRZ-AWEZNQCLSA-N 1 2 388.287 2.391 20 0 GEADLO COC[C@](C)(O)CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000452340427 650180125 /nfs/dbraw/zinc/18/01/25/650180125.db2.gz IJKCRVCZVIOQIC-SJLPKXTDSA-N 1 2 399.329 2.490 20 0 GEADLO Cc1ccc(F)c(Br)c1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000453646504 650212076 /nfs/dbraw/zinc/21/20/76/650212076.db2.gz ZJAOQUAPDGNEOL-UHFFFAOYSA-N 1 2 384.249 2.142 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453712156 650218590 /nfs/dbraw/zinc/21/85/90/650218590.db2.gz MRJIHEQLRQJSAT-LLVKDONJSA-N 1 2 391.269 2.098 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453712156 650218593 /nfs/dbraw/zinc/21/85/93/650218593.db2.gz MRJIHEQLRQJSAT-LLVKDONJSA-N 1 2 391.269 2.098 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000454260211 650260824 /nfs/dbraw/zinc/26/08/24/650260824.db2.gz GKWTXQMORQTPHY-LBPRGKRZSA-N 1 2 376.284 2.392 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@]2(CCSC2)C1 ZINC000454371578 650264764 /nfs/dbraw/zinc/26/47/64/650264764.db2.gz YOKIVEHEMVUMTB-ROUUACIJSA-N 1 2 385.599 2.123 20 0 GEADLO O=C(CCn1cc[nH+]c1)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000456471157 650341405 /nfs/dbraw/zinc/34/14/05/650341405.db2.gz CQAPOXVXJSYMEN-LBPRGKRZSA-N 1 2 384.249 2.142 20 0 GEADLO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(Br)cc2O)CC1 ZINC000456876085 650365263 /nfs/dbraw/zinc/36/52/63/650365263.db2.gz AMSUERXQAKCWBD-UHFFFAOYSA-N 1 2 384.318 2.301 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cc3cc4c(cc3Br)OCO4)CC2)cn1 ZINC000500252531 650373503 /nfs/dbraw/zinc/37/35/03/650373503.db2.gz PKBKXBYKCKTUCO-UHFFFAOYSA-N 1 2 393.285 2.229 20 0 GEADLO O=C(N[C@H]1CCOC1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000500575094 650381006 /nfs/dbraw/zinc/38/10/06/650381006.db2.gz GLEGVGUZQQAMIY-LBPRGKRZSA-N 1 2 383.246 2.239 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457725306 650383282 /nfs/dbraw/zinc/38/32/82/650383282.db2.gz ALKZFUNWXPCONB-XJKSGUPXSA-N 1 2 397.317 2.411 20 0 GEADLO COC[C@@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000500890525 650384275 /nfs/dbraw/zinc/38/42/75/650384275.db2.gz KYMCEMCGJPVNDH-GFCCVEGCSA-N 1 2 385.262 2.485 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H](O)[C@@H](C)C3)[nH+]c12 ZINC000501915426 650399238 /nfs/dbraw/zinc/39/92/38/650399238.db2.gz OEQIAKNWJZOAPI-SWLSCSKDSA-N 1 2 395.301 2.360 20 0 GEADLO C[C@H](NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000502275349 650404540 /nfs/dbraw/zinc/40/45/40/650404540.db2.gz WFJQNRCKEVHLDC-QWRGUYRKSA-N 1 2 381.263 2.498 20 0 GEADLO C[C@@H](NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000502275346 650404644 /nfs/dbraw/zinc/40/46/44/650404644.db2.gz WFJQNRCKEVHLDC-MNOVXSKESA-N 1 2 381.263 2.498 20 0 GEADLO Cc1nc(CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)sc1Br ZINC000458918284 650414015 /nfs/dbraw/zinc/41/40/15/650414015.db2.gz CZOSJIDFDJTXCY-JTQLQIEISA-N 1 2 391.335 2.076 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cn2c(n1)CCCC2)[N@@H+]1CCc2sccc2C1 ZINC000503473891 650418287 /nfs/dbraw/zinc/41/82/87/650418287.db2.gz BBLGZQORPUCNBW-CYBMUJFWSA-N 1 2 380.539 2.006 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cn2c(n1)CCCC2)[N@H+]1CCc2sccc2C1 ZINC000503473891 650418288 /nfs/dbraw/zinc/41/82/88/650418288.db2.gz BBLGZQORPUCNBW-CYBMUJFWSA-N 1 2 380.539 2.006 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000459163096 650420346 /nfs/dbraw/zinc/42/03/46/650420346.db2.gz AYCHCFUJHPMNBG-GFCCVEGCSA-N 1 2 387.267 2.009 20 0 GEADLO CC[N@H+](CCN1C(=O)N[C@H](C)C1=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000459303681 650422055 /nfs/dbraw/zinc/42/20/55/650422055.db2.gz XVTRITBXVRRZHU-SNVBAGLBSA-N 1 2 387.267 2.194 20 0 GEADLO CC[N@@H+](CCN1C(=O)N[C@H](C)C1=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000459303681 650422057 /nfs/dbraw/zinc/42/20/57/650422057.db2.gz XVTRITBXVRRZHU-SNVBAGLBSA-N 1 2 387.267 2.194 20 0 GEADLO Cn1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(O)c3Br)C2=O)n1 ZINC000459433025 650424221 /nfs/dbraw/zinc/42/42/21/650424221.db2.gz ZVSVYKXQTNKJLC-GFCCVEGCSA-N 1 2 379.258 2.173 20 0 GEADLO Cn1nccc1[C@@H](CO)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000459753809 650432196 /nfs/dbraw/zinc/43/21/96/650432196.db2.gz MFKJOGZLJKYCKJ-GFCCVEGCSA-N 1 2 376.766 2.354 20 0 GEADLO COCCC[N@H+](Cc1cnc(-c2ccncc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000506008714 650442818 /nfs/dbraw/zinc/44/28/18/650442818.db2.gz FDJYDLJJEOKQNZ-OAHLLOKOSA-N 1 2 381.523 2.231 20 0 GEADLO COCCC[N@@H+](Cc1cnc(-c2ccncc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000506008714 650442820 /nfs/dbraw/zinc/44/28/20/650442820.db2.gz FDJYDLJJEOKQNZ-OAHLLOKOSA-N 1 2 381.523 2.231 20 0 GEADLO O=C(Cn1cccc(Br)c1=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000506384059 650444760 /nfs/dbraw/zinc/44/47/60/650444760.db2.gz VLYBICOGIUHWHX-UHFFFAOYSA-N 1 2 396.310 2.017 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)c1cccc(F)c1F)[NH+]1CCOCC1 ZINC000507573277 650463387 /nfs/dbraw/zinc/46/33/87/650463387.db2.gz ZGBKHCVCHBXEJK-OAHLLOKOSA-N 1 2 376.469 2.380 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000462083441 650466353 /nfs/dbraw/zinc/46/63/53/650466353.db2.gz HJCZAXBWTCSXKQ-LLVKDONJSA-N 1 2 386.461 2.402 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000462083441 650466357 /nfs/dbraw/zinc/46/63/57/650466357.db2.gz HJCZAXBWTCSXKQ-LLVKDONJSA-N 1 2 386.461 2.402 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000508836693 650483572 /nfs/dbraw/zinc/48/35/72/650483572.db2.gz AOMJTZNWVKBCRM-VIFPVBQESA-N 1 2 392.264 2.344 20 0 GEADLO O=C(NCc1cc(Br)cc2c1OCC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000462833475 650490822 /nfs/dbraw/zinc/49/08/22/650490822.db2.gz IYEIDDKTJDJTCP-GFCCVEGCSA-N 1 2 376.254 2.459 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510205477 650508434 /nfs/dbraw/zinc/50/84/34/650508434.db2.gz FBHNMQOHWKLTAP-CYBMUJFWSA-N 1 2 387.933 2.237 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000510221434 650508668 /nfs/dbraw/zinc/50/86/68/650508668.db2.gz IJWSSFLIOSCZDM-UHFFFAOYSA-N 1 2 379.295 2.349 20 0 GEADLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511058091 650524540 /nfs/dbraw/zinc/52/45/40/650524540.db2.gz DKYYZXHHJCQUSQ-OLZOCXBDSA-N 1 2 384.527 2.463 20 0 GEADLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511058091 650524551 /nfs/dbraw/zinc/52/45/51/650524551.db2.gz DKYYZXHHJCQUSQ-OLZOCXBDSA-N 1 2 384.527 2.463 20 0 GEADLO O=C(Cc1c(Cl)cccc1Cl)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000473987846 650526464 /nfs/dbraw/zinc/52/64/64/650526464.db2.gz FIMUWLWXBRSNKL-AWEZNQCLSA-N 1 2 387.307 2.486 20 0 GEADLO Cc1ccccc1S(=O)(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000474100505 650527648 /nfs/dbraw/zinc/52/76/48/650527648.db2.gz XWGAAVLIFKQOMZ-UHFFFAOYSA-N 1 2 380.432 2.270 20 0 GEADLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000475401316 650532680 /nfs/dbraw/zinc/53/26/80/650532680.db2.gz NNZZUAUDMVIXEX-UHFFFAOYSA-N 1 2 384.841 2.348 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512428079 650548453 /nfs/dbraw/zinc/54/84/53/650548453.db2.gz PAIJLRPWJROWLG-COXVUDFISA-N 1 2 397.313 2.458 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CCO1 ZINC000512468148 650549421 /nfs/dbraw/zinc/54/94/21/650549421.db2.gz JZFYWQUYXCKILB-UHFFFAOYSA-N 1 2 385.295 2.411 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CCO1 ZINC000512468148 650549422 /nfs/dbraw/zinc/54/94/22/650549422.db2.gz JZFYWQUYXCKILB-UHFFFAOYSA-N 1 2 385.295 2.411 20 0 GEADLO Cc1ccnc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000513653081 650567231 /nfs/dbraw/zinc/56/72/31/650567231.db2.gz CHLDUVWJFFCAQP-CQSZACIVSA-N 1 2 381.523 2.323 20 0 GEADLO O=C(Cn1cc(Br)cn1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000514056594 650573196 /nfs/dbraw/zinc/57/31/96/650573196.db2.gz HWIAQEZNKZTCPX-UHFFFAOYSA-N 1 2 388.269 2.249 20 0 GEADLO Cc1ccc(Br)c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000478859044 650592007 /nfs/dbraw/zinc/59/20/07/650592007.db2.gz BTXBLARUPGDFJH-HNNXBMFYSA-N 1 2 397.313 2.321 20 0 GEADLO CCc1nc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)no1 ZINC000479686769 650608555 /nfs/dbraw/zinc/60/85/55/650608555.db2.gz NSIVBLPPFFXFNE-UHFFFAOYSA-N 1 2 378.230 2.323 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000480012486 650614444 /nfs/dbraw/zinc/61/44/44/650614444.db2.gz ALUXRPIUJPLLJJ-UHFFFAOYSA-N 1 2 391.280 2.010 20 0 GEADLO CC(C)(C)NC(=O)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480212067 650617951 /nfs/dbraw/zinc/61/79/51/650617951.db2.gz FJQNXLAALJATDB-LBPRGKRZSA-N 1 2 389.315 2.172 20 0 GEADLO CS(=O)(=O)N1CCC[N@H+](Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000521969919 650620789 /nfs/dbraw/zinc/62/07/89/650620789.db2.gz JGRYPFYZWCTAJV-UHFFFAOYSA-N 1 2 379.551 2.396 20 0 GEADLO CS(=O)(=O)N1CCC[N@@H+](Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000521969919 650620790 /nfs/dbraw/zinc/62/07/90/650620790.db2.gz JGRYPFYZWCTAJV-UHFFFAOYSA-N 1 2 379.551 2.396 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC000480452431 650622651 /nfs/dbraw/zinc/62/26/51/650622651.db2.gz HGMJJHQKVVPGAK-GFCCVEGCSA-N 1 2 389.315 2.317 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC000480452431 650622654 /nfs/dbraw/zinc/62/26/54/650622654.db2.gz HGMJJHQKVVPGAK-GFCCVEGCSA-N 1 2 389.315 2.317 20 0 GEADLO Cc1ncc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)c(=O)[nH]1 ZINC000480703934 650628757 /nfs/dbraw/zinc/62/87/57/650628757.db2.gz BPOYZOVOQLEWPQ-ZDUSSCGKSA-N 1 2 398.282 2.261 20 0 GEADLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000480837168 650634154 /nfs/dbraw/zinc/63/41/54/650634154.db2.gz JMDODDVDMQSLOY-OQPBUACISA-N 1 2 395.269 2.488 20 0 GEADLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000480837168 650634157 /nfs/dbraw/zinc/63/41/57/650634157.db2.gz JMDODDVDMQSLOY-OQPBUACISA-N 1 2 395.269 2.488 20 0 GEADLO CC(=O)N[C@@H](CC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000481418217 650646247 /nfs/dbraw/zinc/64/62/47/650646247.db2.gz UGVIRMIMPKVZBR-WBMJQRKESA-N 1 2 393.285 2.418 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1Br)Cn1cc[nH+]c1 ZINC000481440405 650646500 /nfs/dbraw/zinc/64/65/00/650646500.db2.gz SZYGOMGRAYFTPQ-JTQLQIEISA-N 1 2 376.251 2.399 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cn1C ZINC000481871386 650655079 /nfs/dbraw/zinc/65/50/79/650655079.db2.gz VFITYIUVURDWNK-UHFFFAOYSA-N 1 2 385.873 2.328 20 0 GEADLO CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)c1 ZINC000482027672 650658405 /nfs/dbraw/zinc/65/84/05/650658405.db2.gz WNSUESXHZUCKPY-CQSZACIVSA-N 1 2 385.555 2.141 20 0 GEADLO CN1c2cc(Br)ccc2N(C[C@@H](O)C[NH+]2CCOCC2)CC1(C)C ZINC000482965573 650671882 /nfs/dbraw/zinc/67/18/82/650671882.db2.gz SRZQAJQTELADFQ-HNNXBMFYSA-N 1 2 398.345 2.177 20 0 GEADLO O=C(CCNC(=O)c1ccc(Br)cc1)NCCNc1cccc[nH+]1 ZINC000483971025 650683863 /nfs/dbraw/zinc/68/38/63/650683863.db2.gz HIXLXXPDYHNKSR-UHFFFAOYSA-N 1 2 391.269 2.192 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)NC1(C(F)F)CCCCC1 ZINC000484694776 650688912 /nfs/dbraw/zinc/68/89/12/650688912.db2.gz PGZJPFMCRXPZBU-MRXNPFEDSA-N 1 2 377.501 2.462 20 0 GEADLO CNC(=O)NC[C@@H]1CN(c2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000528123234 650685470 /nfs/dbraw/zinc/68/54/70/650685470.db2.gz YUGPPRZRDSMZCU-CYBMUJFWSA-N 1 2 379.258 2.132 20 0 GEADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000528633805 650697080 /nfs/dbraw/zinc/69/70/80/650697080.db2.gz IZOAKKQVTVELJZ-HYJLZEBJSA-N 1 2 384.242 2.190 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1COc2ccc(Cl)cc21 ZINC000485777553 650700312 /nfs/dbraw/zinc/70/03/12/650700312.db2.gz ZIFIYUXAIMXUSE-CRAIPNDOSA-N 1 2 382.913 2.140 20 0 GEADLO Cc1cc(Br)ccc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529749660 650706128 /nfs/dbraw/zinc/70/61/28/650706128.db2.gz BBYZDDOCBCRLFW-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1cc(Br)ccc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529749660 650706132 /nfs/dbraw/zinc/70/61/32/650706132.db2.gz BBYZDDOCBCRLFW-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1cccc(Br)c1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529754420 650706725 /nfs/dbraw/zinc/70/67/25/650706725.db2.gz WBQZXUYFTIRBMB-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1cccc(Br)c1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529754420 650706728 /nfs/dbraw/zinc/70/67/28/650706728.db2.gz WBQZXUYFTIRBMB-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000530031213 650710879 /nfs/dbraw/zinc/71/08/79/650710879.db2.gz CHUSGNIKEGGUHB-SMDDNHRTSA-N 1 2 379.309 2.147 20 0 GEADLO COCCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486579285 650716108 /nfs/dbraw/zinc/71/61/08/650716108.db2.gz SKDPQWXPVDLVKJ-DLBZAZTESA-N 1 2 376.469 2.445 20 0 GEADLO COCCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486579285 650716111 /nfs/dbraw/zinc/71/61/11/650716111.db2.gz SKDPQWXPVDLVKJ-DLBZAZTESA-N 1 2 376.469 2.445 20 0 GEADLO CNC(=O)[C@@H]([NH2+]Cc1ncc(Br)cc1Br)C(C)C ZINC000486807897 650722691 /nfs/dbraw/zinc/72/26/91/650722691.db2.gz ATJAWEIZWLVLAR-NSHDSACASA-N 1 2 379.096 2.467 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(Br)ccc2OC)CC1 ZINC000531069680 650734351 /nfs/dbraw/zinc/73/43/51/650734351.db2.gz SKHNJCMWLDWNBA-LBPRGKRZSA-N 1 2 399.285 2.167 20 0 GEADLO CC[NH+](CC)[C@H](CNS(=O)(=O)C[C@@H](C)C(=O)OC)c1ccccc1Cl ZINC000487468407 650734360 /nfs/dbraw/zinc/73/43/60/650734360.db2.gz XBJPIXIWWBOTAJ-CZUORRHYSA-N 1 2 390.933 2.451 20 0 GEADLO CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531079801 650734623 /nfs/dbraw/zinc/73/46/23/650734623.db2.gz MUMQTHRHPIUZLJ-BBRMVZONSA-N 1 2 387.933 2.019 20 0 GEADLO CN(C(=O)C[N@H+](CCO)Cc1cccc(Br)c1)c1nccs1 ZINC000488207146 650742623 /nfs/dbraw/zinc/74/26/23/650742623.db2.gz XWNSDHFYWGTHFQ-UHFFFAOYSA-N 1 2 384.299 2.363 20 0 GEADLO CN(C(=O)C[N@@H+](CCO)Cc1cccc(Br)c1)c1nccs1 ZINC000488207146 650742633 /nfs/dbraw/zinc/74/26/33/650742633.db2.gz XWNSDHFYWGTHFQ-UHFFFAOYSA-N 1 2 384.299 2.363 20 0 GEADLO COc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)c(I)c1 ZINC000532122334 650745177 /nfs/dbraw/zinc/74/51/77/650745177.db2.gz DTYZFVTZHKUZMJ-UHFFFAOYSA-N 1 2 383.189 2.193 20 0 GEADLO Cc1ccc(NC(=O)C[NH+]2C[C@H](C)S[C@@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000532578793 650750201 /nfs/dbraw/zinc/75/02/01/650750201.db2.gz VDELMJJOWWJJDE-KBPBESRZSA-N 1 2 385.555 2.010 20 0 GEADLO Cn1cnc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1Cl ZINC000028059693 642445016 /nfs/dbraw/zinc/44/50/16/642445016.db2.gz CLNHHEIVQZQGLI-UHFFFAOYSA-N 1 2 382.917 2.189 20 0 GEADLO Cn1cnc(S(=O)(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1Cl ZINC000028059693 642445023 /nfs/dbraw/zinc/44/50/23/642445023.db2.gz CLNHHEIVQZQGLI-UHFFFAOYSA-N 1 2 382.917 2.189 20 0 GEADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCOCC1 ZINC000041281107 642528245 /nfs/dbraw/zinc/52/82/45/642528245.db2.gz HWCGFMRDXQLHMP-HNNXBMFYSA-N 1 2 388.295 2.405 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000533381880 650760494 /nfs/dbraw/zinc/76/04/94/650760494.db2.gz GGGVQZDJUPGZPY-GFCCVEGCSA-N 1 2 382.507 2.202 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000533381880 650760495 /nfs/dbraw/zinc/76/04/95/650760495.db2.gz GGGVQZDJUPGZPY-GFCCVEGCSA-N 1 2 382.507 2.202 20 0 GEADLO O=S(=O)(CC[N@H+]1CCCC[C@@H]1CCO)c1ccc(Br)cc1 ZINC000048934722 642664157 /nfs/dbraw/zinc/66/41/57/642664157.db2.gz DHXFDMDGWPNRMP-CQSZACIVSA-N 1 2 376.316 2.460 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCCC[C@@H]1CCO)c1ccc(Br)cc1 ZINC000048934722 642664164 /nfs/dbraw/zinc/66/41/64/642664164.db2.gz DHXFDMDGWPNRMP-CQSZACIVSA-N 1 2 376.316 2.460 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2cc(Br)cs2)C1 ZINC000051201423 642692611 /nfs/dbraw/zinc/69/26/11/642692611.db2.gz LCFRXNPWLOQVEM-LLVKDONJSA-N 1 2 389.315 2.402 20 0 GEADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2cc(Br)cs2)C1 ZINC000051201423 642692615 /nfs/dbraw/zinc/69/26/15/642692615.db2.gz LCFRXNPWLOQVEM-LLVKDONJSA-N 1 2 389.315 2.402 20 0 GEADLO O=C(COC(=O)c1scnc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000051801228 642704617 /nfs/dbraw/zinc/70/46/17/642704617.db2.gz VBGIXTBRLCZQQG-UHFFFAOYSA-N 1 2 385.898 2.359 20 0 GEADLO CCCC[N@H+](CC(N)=O)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000052704596 642725224 /nfs/dbraw/zinc/72/52/24/642725224.db2.gz ZSWCEPJXIQXAKU-UHFFFAOYSA-N 1 2 376.320 2.056 20 0 GEADLO CCCC[N@@H+](CC(N)=O)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000052704596 642725228 /nfs/dbraw/zinc/72/52/28/642725228.db2.gz ZSWCEPJXIQXAKU-UHFFFAOYSA-N 1 2 376.320 2.056 20 0 GEADLO Cn1cnc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3F)CC2)c1Cl ZINC000055643080 642776627 /nfs/dbraw/zinc/77/66/27/642776627.db2.gz BWBJOJDFSLVJMD-UHFFFAOYSA-N 1 2 386.880 2.156 20 0 GEADLO Cc1cc(I)cnc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000491093595 650783237 /nfs/dbraw/zinc/78/32/37/650783237.db2.gz QRALDGOUBWXWOQ-JTQLQIEISA-N 1 2 382.205 2.392 20 0 GEADLO O=C(CCOc1ccc(Cl)cc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000057210711 642808833 /nfs/dbraw/zinc/80/88/33/642808833.db2.gz YLWSPBURICHVLC-GOSISDBHSA-N 1 2 384.929 2.433 20 0 GEADLO CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)o1 ZINC000060293360 642835064 /nfs/dbraw/zinc/83/50/64/642835064.db2.gz CJCQKVKAGBRQTJ-UHFFFAOYSA-N 1 2 380.813 2.279 20 0 GEADLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000064253430 642871949 /nfs/dbraw/zinc/87/19/49/642871949.db2.gz DAJLMVSOAWWQSL-CYBMUJFWSA-N 1 2 376.448 2.212 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000066880726 642945082 /nfs/dbraw/zinc/94/50/82/642945082.db2.gz UBIMMGBIOJPBMG-CYBMUJFWSA-N 1 2 387.933 2.413 20 0 GEADLO CCN(C1CC[NH+](Cc2cc(Cl)cc3c2OCOC3)CC1)S(C)(=O)=O ZINC000066884163 642945594 /nfs/dbraw/zinc/94/55/94/642945594.db2.gz GZFDBPHWACIMMI-UHFFFAOYSA-N 1 2 388.917 2.452 20 0 GEADLO CCN(C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000066883680 642945731 /nfs/dbraw/zinc/94/57/31/642945731.db2.gz OMPMITXQASONCX-ZDUSSCGKSA-N 1 2 387.933 2.413 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2sccc2SC(F)F)CC1 ZINC000068508494 643004380 /nfs/dbraw/zinc/00/43/80/643004380.db2.gz ZXHWORKDISVNAK-UHFFFAOYSA-N 1 2 398.522 2.302 20 0 GEADLO Cc1ccc(C)c(SCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000068508516 643004744 /nfs/dbraw/zinc/00/47/44/643004744.db2.gz LDBVKMRISFLOKW-UHFFFAOYSA-N 1 2 384.567 2.021 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000069803174 643040788 /nfs/dbraw/zinc/04/07/88/643040788.db2.gz LYBDPGOZZSEAQX-HNNXBMFYSA-N 1 2 396.329 2.432 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](CN2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000069803174 643040792 /nfs/dbraw/zinc/04/07/92/643040792.db2.gz LYBDPGOZZSEAQX-HNNXBMFYSA-N 1 2 396.329 2.432 20 0 GEADLO CC[C@@H]1CN(CCS(=O)(=O)CC[N@@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000072861397 643063068 /nfs/dbraw/zinc/06/30/68/643063068.db2.gz BROMLWKCOXOWDS-IYBDPMFKSA-N 1 2 380.645 2.056 20 0 GEADLO CC[C@@H]1CN(CCS(=O)(=O)CC[N@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000072861397 643063072 /nfs/dbraw/zinc/06/30/72/643063072.db2.gz BROMLWKCOXOWDS-IYBDPMFKSA-N 1 2 380.645 2.056 20 0 GEADLO CC[C@@H]1C[N@H+](CCS(=O)(=O)CCN2CCS[C@@H](CC)C2)CCS1 ZINC000072861397 643063079 /nfs/dbraw/zinc/06/30/79/643063079.db2.gz BROMLWKCOXOWDS-IYBDPMFKSA-N 1 2 380.645 2.056 20 0 GEADLO CC[C@@H]1C[N@@H+](CCS(=O)(=O)CCN2CCS[C@@H](CC)C2)CCS1 ZINC000072861397 643063086 /nfs/dbraw/zinc/06/30/86/643063086.db2.gz BROMLWKCOXOWDS-IYBDPMFKSA-N 1 2 380.645 2.056 20 0 GEADLO CO[C@@H]1CCC[N@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000102766698 643137932 /nfs/dbraw/zinc/13/79/32/643137932.db2.gz KHWNUNWZYBMTMM-GFCCVEGCSA-N 1 2 385.511 2.282 20 0 GEADLO CO[C@@H]1CCC[N@@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000102766698 643137936 /nfs/dbraw/zinc/13/79/36/643137936.db2.gz KHWNUNWZYBMTMM-GFCCVEGCSA-N 1 2 385.511 2.282 20 0 GEADLO C[N@H+](CCCOc1cccc(I)c1)CCS(C)(=O)=O ZINC000102771126 643137973 /nfs/dbraw/zinc/13/79/73/643137973.db2.gz HDOYQWDACPJPLF-UHFFFAOYSA-N 1 2 397.278 2.037 20 0 GEADLO C[N@@H+](CCCOc1cccc(I)c1)CCS(C)(=O)=O ZINC000102771126 643137980 /nfs/dbraw/zinc/13/79/80/643137980.db2.gz HDOYQWDACPJPLF-UHFFFAOYSA-N 1 2 397.278 2.037 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Br)s2)C[C@H]1C ZINC000537578082 650817192 /nfs/dbraw/zinc/81/71/92/650817192.db2.gz IBEIVXFBMISOPN-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Br)s2)C[C@H]1C ZINC000537578082 650817193 /nfs/dbraw/zinc/81/71/93/650817193.db2.gz IBEIVXFBMISOPN-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO CC[N@H+](CC(=O)Nc1ccc(I)cc1)Cc1cnn(C)c1 ZINC000103474696 643167845 /nfs/dbraw/zinc/16/78/45/643167845.db2.gz UCPATYLNMGYLDA-UHFFFAOYSA-N 1 2 398.248 2.485 20 0 GEADLO CC[N@@H+](CC(=O)Nc1ccc(I)cc1)Cc1cnn(C)c1 ZINC000103474696 643167850 /nfs/dbraw/zinc/16/78/50/643167850.db2.gz UCPATYLNMGYLDA-UHFFFAOYSA-N 1 2 398.248 2.485 20 0 GEADLO O=C(C[NH+]1CCC(N2CCCC2=O)CC1)Nc1ccc(Br)cc1 ZINC000104730203 643189268 /nfs/dbraw/zinc/18/92/68/643189268.db2.gz SXNMWPAWAHQIJV-UHFFFAOYSA-N 1 2 380.286 2.474 20 0 GEADLO Cc1ccsc1S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000537657690 650820206 /nfs/dbraw/zinc/82/02/06/650820206.db2.gz SGSLOGYSBFWVEC-IAGOWNOFSA-N 1 2 380.535 2.218 20 0 GEADLO Cc1ccsc1S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000537657690 650820208 /nfs/dbraw/zinc/82/02/08/650820208.db2.gz SGSLOGYSBFWVEC-IAGOWNOFSA-N 1 2 380.535 2.218 20 0 GEADLO C[C@@H](NC(=O)NCc1cc(Br)ccc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000105141327 643200562 /nfs/dbraw/zinc/20/05/62/643200562.db2.gz JADHICHVTQWQSH-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO NC(=O)[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000105402086 643206201 /nfs/dbraw/zinc/20/62/01/643206201.db2.gz LCHODSBBWAUCSB-OAHLLOKOSA-N 1 2 380.217 2.343 20 0 GEADLO CCOCCN1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000106105932 643222553 /nfs/dbraw/zinc/22/25/53/643222553.db2.gz QDJOGQHABUHFCA-AWEZNQCLSA-N 1 2 377.312 2.387 20 0 GEADLO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000106864822 643242275 /nfs/dbraw/zinc/24/22/75/643242275.db2.gz QCNTVMDWFWQXIY-IUODEOHRSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@@H](O)[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000106864822 643242286 /nfs/dbraw/zinc/24/22/86/643242286.db2.gz QCNTVMDWFWQXIY-IUODEOHRSA-N 1 2 376.316 2.458 20 0 GEADLO COc1ccc(Br)c(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000106945091 643246826 /nfs/dbraw/zinc/24/68/26/643246826.db2.gz JFPMHNSZCRAEFP-GFCCVEGCSA-N 1 2 385.306 2.215 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000497006058 650831631 /nfs/dbraw/zinc/83/16/31/650831631.db2.gz YFLIZTXFSVTNII-AWEZNQCLSA-N 1 2 391.225 2.168 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000497006058 650831635 /nfs/dbraw/zinc/83/16/35/650831635.db2.gz YFLIZTXFSVTNII-AWEZNQCLSA-N 1 2 391.225 2.168 20 0 GEADLO C[C@@H](O)C1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000111285642 643331533 /nfs/dbraw/zinc/33/15/33/643331533.db2.gz ZKJSLNSHADWQQN-GFCCVEGCSA-N 1 2 376.316 2.316 20 0 GEADLO CC(C)(CNC(=O)CN1CCc2ccc(Br)cc21)[NH+]1CCOCC1 ZINC000112982113 643379410 /nfs/dbraw/zinc/37/94/10/643379410.db2.gz ONHKMRDDXZVGFY-UHFFFAOYSA-N 1 2 396.329 2.039 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000113003878 643380641 /nfs/dbraw/zinc/38/06/41/643380641.db2.gz OILJVKPGDMYWNS-OCCSQVGLSA-N 1 2 383.432 2.200 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000113003878 643380646 /nfs/dbraw/zinc/38/06/46/643380646.db2.gz OILJVKPGDMYWNS-OCCSQVGLSA-N 1 2 383.432 2.200 20 0 GEADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000113580638 643400379 /nfs/dbraw/zinc/40/03/79/643400379.db2.gz YKEZEUNHMSFVST-KFWWJZLASA-N 1 2 387.571 2.348 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc(I)c[nH]1 ZINC000115329466 643434849 /nfs/dbraw/zinc/43/48/49/643434849.db2.gz ICLRDLVZRWTIFU-UHFFFAOYSA-N 1 2 384.221 2.125 20 0 GEADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000115699579 643445320 /nfs/dbraw/zinc/44/53/20/643445320.db2.gz UURCAILGMJFKAU-ZIAGYGMSSA-N 1 2 387.571 2.176 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000119689976 643566248 /nfs/dbraw/zinc/56/62/48/643566248.db2.gz LEBNQZNZTNBMDI-CJNGLKHVSA-N 1 2 378.519 2.402 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000119689976 643566253 /nfs/dbraw/zinc/56/62/53/643566253.db2.gz LEBNQZNZTNBMDI-CJNGLKHVSA-N 1 2 378.519 2.402 20 0 GEADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1CSCCS1 ZINC000120940759 643626919 /nfs/dbraw/zinc/62/69/19/643626919.db2.gz LRDGKDBGXJJCMB-MRXNPFEDSA-N 1 2 385.986 2.427 20 0 GEADLO C[N@@H+](CC(=O)OC(C)(C)C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000124194115 643682580 /nfs/dbraw/zinc/68/25/80/643682580.db2.gz DJZPQHHZHVUCEJ-UHFFFAOYSA-N 1 2 382.258 2.390 20 0 GEADLO C[N@H+](CC(=O)OC(C)(C)C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000124194115 643682585 /nfs/dbraw/zinc/68/25/85/643682585.db2.gz DJZPQHHZHVUCEJ-UHFFFAOYSA-N 1 2 382.258 2.390 20 0 GEADLO CCn1c(SCC(=O)N2CC[NH+](C3CC3)CC2)nnc1-c1cccs1 ZINC000124899285 643692606 /nfs/dbraw/zinc/69/26/06/643692606.db2.gz UKMJXOCOEQCRNE-UHFFFAOYSA-N 1 2 377.539 2.425 20 0 GEADLO Cc1sc(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1CS(C)(=O)=O ZINC000126299126 643726854 /nfs/dbraw/zinc/72/68/54/643726854.db2.gz HCRFIZQZFCYLPL-UHFFFAOYSA-N 1 2 380.535 2.463 20 0 GEADLO Cc1sc(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1CS(C)(=O)=O ZINC000126299126 643726856 /nfs/dbraw/zinc/72/68/56/643726856.db2.gz HCRFIZQZFCYLPL-UHFFFAOYSA-N 1 2 380.535 2.463 20 0 GEADLO CS(=O)(=O)CCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000126812238 643746712 /nfs/dbraw/zinc/74/67/12/643746712.db2.gz UUXUFRDZXKSKBE-HNNXBMFYSA-N 1 2 385.555 2.104 20 0 GEADLO CN(C)C(=O)N1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000127029791 643755663 /nfs/dbraw/zinc/75/56/63/643755663.db2.gz WVRDTWQZOSKCGN-LBPRGKRZSA-N 1 2 376.284 2.032 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127152218 643759867 /nfs/dbraw/zinc/75/98/67/643759867.db2.gz FUGIPNLHTNUWLG-TZMCWYRMSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127152218 643759872 /nfs/dbraw/zinc/75/98/72/643759872.db2.gz FUGIPNLHTNUWLG-TZMCWYRMSA-N 1 2 383.286 2.196 20 0 GEADLO O=C(C[NH+]1CCC(O)(C(F)(F)F)CC1)NCCOc1cccc(Cl)c1 ZINC000128336555 643799955 /nfs/dbraw/zinc/79/99/55/643799955.db2.gz BIRYNVDSVWRJPD-UHFFFAOYSA-N 1 2 380.794 2.224 20 0 GEADLO CC(C)N(CCS(C)(=O)=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000128393287 643801003 /nfs/dbraw/zinc/80/10/03/643801003.db2.gz XNWWJNNQUIQDBC-HNNXBMFYSA-N 1 2 387.571 2.350 20 0 GEADLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cc(I)c[nH]1 ZINC000130291694 643833898 /nfs/dbraw/zinc/83/38/98/643833898.db2.gz IECRUQQKAFVBEX-GFCCVEGCSA-N 1 2 396.232 2.413 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)ccc2Br)CC1 ZINC000130353861 643835975 /nfs/dbraw/zinc/83/59/75/643835975.db2.gz DZRPXVQGIOHZQR-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)ccc2Br)CC1 ZINC000130353861 643835983 /nfs/dbraw/zinc/83/59/83/643835983.db2.gz DZRPXVQGIOHZQR-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO O=C(Nc1cccc(Br)c1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151380730 643941238 /nfs/dbraw/zinc/94/12/38/643941238.db2.gz LVAMACOTVJGSRN-OAHLLOKOSA-N 1 2 390.237 2.463 20 0 GEADLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000151589799 643946928 /nfs/dbraw/zinc/94/69/28/643946928.db2.gz FWSJFICQFJBJGV-UHFFFAOYSA-N 1 2 394.269 2.265 20 0 GEADLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000151589799 643946930 /nfs/dbraw/zinc/94/69/30/643946930.db2.gz FWSJFICQFJBJGV-UHFFFAOYSA-N 1 2 394.269 2.265 20 0 GEADLO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@H+](C)C[C@H]3CCCO3)c2c1 ZINC000151748475 643952679 /nfs/dbraw/zinc/95/26/79/643952679.db2.gz PNJBYGBJOAUULR-GFCCVEGCSA-N 1 2 385.511 2.282 20 0 GEADLO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](C)C[C@H]3CCCO3)c2c1 ZINC000151748475 643952684 /nfs/dbraw/zinc/95/26/84/643952684.db2.gz PNJBYGBJOAUULR-GFCCVEGCSA-N 1 2 385.511 2.282 20 0 GEADLO Cc1cc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)c(C)cc1Br ZINC000153318005 643984665 /nfs/dbraw/zinc/98/46/65/643984665.db2.gz NPOPGWSEMCJZMT-UHFFFAOYSA-N 1 2 396.329 2.302 20 0 GEADLO Cc1cc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)c(C)cc1Br ZINC000153318005 643984668 /nfs/dbraw/zinc/98/46/68/643984668.db2.gz NPOPGWSEMCJZMT-UHFFFAOYSA-N 1 2 396.329 2.302 20 0 GEADLO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)Cn1cc[nH+]c1 ZINC000153786886 644006014 /nfs/dbraw/zinc/00/60/14/644006014.db2.gz ZIJOAPCLLZJQMU-NSHDSACASA-N 1 2 375.372 2.243 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@@]1(CO)CCOC1 ZINC000542013992 650885640 /nfs/dbraw/zinc/88/56/40/650885640.db2.gz XJKONJPZHPRXBI-CQSZACIVSA-N 1 2 377.666 2.124 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@@]1(CO)CCOC1 ZINC000542013992 650885644 /nfs/dbraw/zinc/88/56/44/650885644.db2.gz XJKONJPZHPRXBI-CQSZACIVSA-N 1 2 377.666 2.124 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@]1(CO)CCOC1 ZINC000542013987 650885733 /nfs/dbraw/zinc/88/57/33/650885733.db2.gz XJKONJPZHPRXBI-AWEZNQCLSA-N 1 2 377.666 2.124 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@]1(CO)CCOC1 ZINC000542013987 650885737 /nfs/dbraw/zinc/88/57/37/650885737.db2.gz XJKONJPZHPRXBI-AWEZNQCLSA-N 1 2 377.666 2.124 20 0 GEADLO C[C@H]([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccon1 ZINC000542647228 650891846 /nfs/dbraw/zinc/89/18/46/650891846.db2.gz BPCLYLKPENOHJY-NSHDSACASA-N 1 2 384.267 2.376 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](CCO)c1ccccc1Br ZINC000542878713 650892835 /nfs/dbraw/zinc/89/28/35/650892835.db2.gz JSTXXXVBDVNUHQ-HNNXBMFYSA-N 1 2 395.301 2.451 20 0 GEADLO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ncc(Br)s1 ZINC000542924252 650895322 /nfs/dbraw/zinc/89/53/22/650895322.db2.gz UJBCTWAJRHZOMM-ZDUSSCGKSA-N 1 2 398.326 2.369 20 0 GEADLO CC[NH+](CC)CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000158659310 644154448 /nfs/dbraw/zinc/15/44/48/644154448.db2.gz XOCYWOOGQAYOSB-UHFFFAOYSA-N 1 2 382.511 2.016 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(Cc2c(F)ccc(Br)c2F)CC1 ZINC000500100229 650896462 /nfs/dbraw/zinc/89/64/62/650896462.db2.gz XCIXEKBIHLQEOG-UHFFFAOYSA-N 1 2 376.245 2.109 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)c1ccnc(Cl)c1I ZINC000158998161 644171380 /nfs/dbraw/zinc/17/13/80/644171380.db2.gz AONXRBVALNTWGB-UHFFFAOYSA-N 1 2 390.612 2.356 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC2(C1)OCCO2 ZINC000160709276 644204364 /nfs/dbraw/zinc/20/43/64/644204364.db2.gz OLUVBVYNDALNDW-CYBMUJFWSA-N 1 2 383.286 2.245 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC2(C1)OCCO2 ZINC000160709276 644204368 /nfs/dbraw/zinc/20/43/68/644204368.db2.gz OLUVBVYNDALNDW-CYBMUJFWSA-N 1 2 383.286 2.245 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(Br)cnc1Cl ZINC000170861773 644293032 /nfs/dbraw/zinc/29/30/32/644293032.db2.gz LEVVRFJDIOHSKJ-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(Br)cnc1Cl ZINC000170861773 644293039 /nfs/dbraw/zinc/29/30/39/644293039.db2.gz LEVVRFJDIOHSKJ-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO C[N@H+](CN1C(=O)N[C@@](C)(c2ccc(I)cc2)C1=O)C1CC1 ZINC000170902433 644296185 /nfs/dbraw/zinc/29/61/85/644296185.db2.gz MXOIAFWCGKUIKB-HNNXBMFYSA-N 1 2 399.232 2.110 20 0 GEADLO C[N@@H+](CN1C(=O)N[C@@](C)(c2ccc(I)cc2)C1=O)C1CC1 ZINC000170902433 644296190 /nfs/dbraw/zinc/29/61/90/644296190.db2.gz MXOIAFWCGKUIKB-HNNXBMFYSA-N 1 2 399.232 2.110 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000171754641 644331948 /nfs/dbraw/zinc/33/19/48/644331948.db2.gz WJZGQKIHOJQIBG-UHFFFAOYSA-N 1 2 384.889 2.066 20 0 GEADLO CC(C)S(=O)(=O)CC[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000178226224 644431273 /nfs/dbraw/zinc/43/12/73/644431273.db2.gz DPQZZUFMRQWVSF-AWEZNQCLSA-N 1 2 383.432 2.200 20 0 GEADLO CC(C)S(=O)(=O)CC[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000178226224 644431277 /nfs/dbraw/zinc/43/12/77/644431277.db2.gz DPQZZUFMRQWVSF-AWEZNQCLSA-N 1 2 383.432 2.200 20 0 GEADLO CCS(=O)(=O)CC[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000180419015 644503129 /nfs/dbraw/zinc/50/31/29/644503129.db2.gz GNXZBRGLCMVGIC-GOSISDBHSA-N 1 2 381.519 2.204 20 0 GEADLO C[C@]1(c2ccc(C[NH2+]Cc3ncc(Br)s3)cc2)NC(=O)NC1=O ZINC000543875131 650926927 /nfs/dbraw/zinc/92/69/27/650926927.db2.gz JXYWAUUTPQRPMJ-OAHLLOKOSA-N 1 2 395.282 2.250 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000543932767 650928418 /nfs/dbraw/zinc/92/84/18/650928418.db2.gz PFCZHYWEQOFSEC-ZDUSSCGKSA-N 1 2 385.302 2.227 20 0 GEADLO C[N@H+](CCNC(=O)OC(C)(C)C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181061507 644522378 /nfs/dbraw/zinc/52/23/78/644522378.db2.gz CDXLMIYWAWTDSC-ZDUSSCGKSA-N 1 2 386.290 2.432 20 0 GEADLO C[N@@H+](CCNC(=O)OC(C)(C)C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181061507 644522381 /nfs/dbraw/zinc/52/23/81/644522381.db2.gz CDXLMIYWAWTDSC-ZDUSSCGKSA-N 1 2 386.290 2.432 20 0 GEADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)s1 ZINC000544474996 650942619 /nfs/dbraw/zinc/94/26/19/650942619.db2.gz GLJKNFWDGMLADB-UHFFFAOYSA-N 1 2 385.486 2.458 20 0 GEADLO C[C@H](C[N@H+](C)CN1C(=O)C(=O)N(Cc2cccs2)C1=O)c1nccs1 ZINC000182840751 644973007 /nfs/dbraw/zinc/97/30/07/644973007.db2.gz ZDAQWMYDTLYDLR-LLVKDONJSA-N 1 2 378.479 2.188 20 0 GEADLO C[C@H](C[N@@H+](C)CN1C(=O)C(=O)N(Cc2cccs2)C1=O)c1nccs1 ZINC000182840751 644973012 /nfs/dbraw/zinc/97/30/12/644973012.db2.gz ZDAQWMYDTLYDLR-LLVKDONJSA-N 1 2 378.479 2.188 20 0 GEADLO Cc1cnc([C@H](C)CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000183183538 644984636 /nfs/dbraw/zinc/98/46/36/644984636.db2.gz FHDNSICXWPEJIQ-CXAGYDPISA-N 1 2 384.571 2.062 20 0 GEADLO CSCC[C@@H]([NH2+]CC(=O)N(C)c1nccs1)c1nnc2ccccn21 ZINC000184607429 645022487 /nfs/dbraw/zinc/02/24/87/645022487.db2.gz HGFFZDYJAACXAH-GFCCVEGCSA-N 1 2 376.511 2.233 20 0 GEADLO Cc1ccc(CCC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)c(Br)c1 ZINC000185266514 645040610 /nfs/dbraw/zinc/04/06/10/645040610.db2.gz QGLZKJCGNYHVDG-HNNXBMFYSA-N 1 2 382.346 2.442 20 0 GEADLO CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1Br ZINC000188610792 645121009 /nfs/dbraw/zinc/12/10/09/645121009.db2.gz QCKVTZLVPZKLJK-UHFFFAOYSA-N 1 2 396.285 2.093 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191995973 645189356 /nfs/dbraw/zinc/18/93/56/645189356.db2.gz ZXDALXYMEZRTRH-GFCCVEGCSA-N 1 2 382.258 2.200 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191995973 645189359 /nfs/dbraw/zinc/18/93/59/645189359.db2.gz ZXDALXYMEZRTRH-GFCCVEGCSA-N 1 2 382.258 2.200 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc(Br)c(F)cc1F ZINC000192119244 645195823 /nfs/dbraw/zinc/19/58/23/645195823.db2.gz KFCZGWHRCNJKOE-SNVBAGLBSA-N 1 2 375.213 2.320 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc(Br)c(F)cc1F ZINC000192119244 645195827 /nfs/dbraw/zinc/19/58/27/645195827.db2.gz KFCZGWHRCNJKOE-SNVBAGLBSA-N 1 2 375.213 2.320 20 0 GEADLO C[N@H+](C[C@H]1CC2(CCC2)C(=O)O1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000192145366 645196490 /nfs/dbraw/zinc/19/64/90/645196490.db2.gz RTVUDCZZCHUHEN-KGLIPLIRSA-N 1 2 381.270 2.393 20 0 GEADLO C[N@@H+](C[C@H]1CC2(CCC2)C(=O)O1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000192145366 645196498 /nfs/dbraw/zinc/19/64/98/645196498.db2.gz RTVUDCZZCHUHEN-KGLIPLIRSA-N 1 2 381.270 2.393 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc(C)c1Br ZINC000192448035 645207080 /nfs/dbraw/zinc/20/70/80/645207080.db2.gz HMHPIOPOFSKFHO-UHFFFAOYSA-N 1 2 379.258 2.407 20 0 GEADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cnc(Cl)cn1 ZINC000192821638 645224416 /nfs/dbraw/zinc/22/44/16/645224416.db2.gz QKVKROYEPRBTSY-UHFFFAOYSA-N 1 2 380.279 2.335 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)CCc1c[nH+]cn1C ZINC000193724619 645293800 /nfs/dbraw/zinc/29/38/00/645293800.db2.gz SLXSOWQBPZOTMU-INIZCTEOSA-N 1 2 394.269 2.488 20 0 GEADLO CNc1[nH+]cnc2c1cnn2C[C@H](O)COc1ccc(Br)cc1 ZINC000193759067 645296989 /nfs/dbraw/zinc/29/69/89/645296989.db2.gz JHVZEMPFXANHQH-NSHDSACASA-N 1 2 378.230 2.070 20 0 GEADLO Cc1cc(S(=O)(=O)NCC[NH+]2CCSCC2)ccc1Br ZINC000226236160 645389926 /nfs/dbraw/zinc/38/99/26/645389926.db2.gz ASBQJAHNGKSHNO-UHFFFAOYSA-N 1 2 379.345 2.085 20 0 GEADLO Cc1cc(Br)cn2c(CNCc3nnnn3CC3CC3)c[nH+]c12 ZINC000546728609 651007631 /nfs/dbraw/zinc/00/76/31/651007631.db2.gz PNSBSTFAPSNUNC-UHFFFAOYSA-N 1 2 376.262 2.092 20 0 GEADLO CS(=O)(=O)CC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000235023529 645407854 /nfs/dbraw/zinc/40/78/54/645407854.db2.gz DOFPISNZYDUHGY-UHFFFAOYSA-N 1 2 387.093 2.051 20 0 GEADLO O=C(CN1CC[NH2+]CC1=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000237800944 645442122 /nfs/dbraw/zinc/44/21/22/645442122.db2.gz YADLNQRJCDZTSD-NSHDSACASA-N 1 2 388.320 2.343 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)C[C@H](C)O)[nH+]c12 ZINC000546861213 651011688 /nfs/dbraw/zinc/01/16/88/651011688.db2.gz DYZSGOKRHCWMTF-NEPJUHHUSA-N 1 2 383.290 2.406 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000245790581 645469902 /nfs/dbraw/zinc/46/99/02/645469902.db2.gz NRCZLLBEZXVSKA-DLBZAZTESA-N 1 2 396.329 2.162 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O)c1ccc(Br)cc1 ZINC000249556113 645556400 /nfs/dbraw/zinc/55/64/00/645556400.db2.gz JTZJBHZQZNMNHG-TYNCELHUSA-N 1 2 382.302 2.212 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O)c1ccc(Br)cc1 ZINC000249556113 645556408 /nfs/dbraw/zinc/55/64/08/645556408.db2.gz JTZJBHZQZNMNHG-TYNCELHUSA-N 1 2 382.302 2.212 20 0 GEADLO CC(C)CNC(=O)NC(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249726338 645559068 /nfs/dbraw/zinc/55/90/68/645559068.db2.gz QEQNIVAHHFJAPN-ZBFHGGJFSA-N 1 2 388.295 2.365 20 0 GEADLO CC(C)CNC(=O)NC(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249726338 645559078 /nfs/dbraw/zinc/55/90/78/645559078.db2.gz QEQNIVAHHFJAPN-ZBFHGGJFSA-N 1 2 388.295 2.365 20 0 GEADLO C[NH+]1CCN(C(=O)CSc2n[nH]c(-c3ccc(Br)cc3)n2)CC1 ZINC000253578449 645571255 /nfs/dbraw/zinc/57/12/55/645571255.db2.gz YIWZLCMVTFJOTP-UHFFFAOYSA-N 1 2 396.314 2.100 20 0 GEADLO Nc1ncc(Cl)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261615120 645589898 /nfs/dbraw/zinc/58/98/98/645589898.db2.gz COHQFPNBHLMNKP-CYBMUJFWSA-N 1 2 387.292 2.306 20 0 GEADLO COC(=O)c1coc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)c1 ZINC000261610032 645590352 /nfs/dbraw/zinc/59/03/52/645590352.db2.gz BWJZMUZIJBYDJE-CQSZACIVSA-N 1 2 384.841 2.055 20 0 GEADLO Cc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261713526 645595965 /nfs/dbraw/zinc/59/59/65/645595965.db2.gz MSFDDEIQLQPBEU-OAHLLOKOSA-N 1 2 396.310 2.488 20 0 GEADLO CC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@H](O)C(F)(F)F ZINC000547643008 651040722 /nfs/dbraw/zinc/04/07/22/651040722.db2.gz DWYFWMPJMYJNPS-NSHDSACASA-N 1 2 394.191 2.202 20 0 GEADLO CC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@H](O)C(F)(F)F ZINC000547643008 651040726 /nfs/dbraw/zinc/04/07/26/651040726.db2.gz DWYFWMPJMYJNPS-NSHDSACASA-N 1 2 394.191 2.202 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cs1 ZINC000266111653 645825665 /nfs/dbraw/zinc/82/56/65/645825665.db2.gz BYVITMGHUYHLGN-UHFFFAOYSA-N 1 2 384.479 2.376 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCOc1ccc(C(=O)OC)cc1Cl ZINC000266507248 645846122 /nfs/dbraw/zinc/84/61/22/645846122.db2.gz CEFJEBYKSHNRPZ-GFCCVEGCSA-N 1 2 377.890 2.260 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCOc1ccc(C(=O)OC)cc1Cl ZINC000266507248 645846124 /nfs/dbraw/zinc/84/61/24/645846124.db2.gz CEFJEBYKSHNRPZ-GFCCVEGCSA-N 1 2 377.890 2.260 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000266945505 645866374 /nfs/dbraw/zinc/86/63/74/645866374.db2.gz CPPSEVXHEBVVDI-NSHDSACASA-N 1 2 377.242 2.150 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CCS(=O)(=O)CC3)n2)C1 ZINC000267312719 645897679 /nfs/dbraw/zinc/89/76/79/645897679.db2.gz XNFZOXKFOKKTEV-LBPRGKRZSA-N 1 2 386.543 2.074 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CCS(=O)(=O)CC3)n2)C1 ZINC000267312719 645897680 /nfs/dbraw/zinc/89/76/80/645897680.db2.gz XNFZOXKFOKKTEV-LBPRGKRZSA-N 1 2 386.543 2.074 20 0 GEADLO Cn1ncnc1C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000267386459 645899297 /nfs/dbraw/zinc/89/92/97/645899297.db2.gz NSKXRJZHOFAKMU-UHFFFAOYSA-N 1 2 378.274 2.428 20 0 GEADLO C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000267677695 645916457 /nfs/dbraw/zinc/91/64/57/645916457.db2.gz MFAYZIOGTAZHTB-GXTWGEPZSA-N 1 2 375.296 2.248 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)Cc1c[nH+]cn1C ZINC000268132941 645946679 /nfs/dbraw/zinc/94/66/79/645946679.db2.gz AXMZGLGGGNZBQA-JTQLQIEISA-N 1 2 375.372 2.381 20 0 GEADLO C[C@@H](NC(=O)C[S@](=O)Cc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000268182061 645950614 /nfs/dbraw/zinc/95/06/14/645950614.db2.gz UDIBHECNKGUMMS-RKFFSXRUSA-N 1 2 384.299 2.309 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000268678423 645988311 /nfs/dbraw/zinc/98/83/11/645988311.db2.gz DGXUAONQUWBHJO-LLVKDONJSA-N 1 2 395.257 2.188 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@H+](CC)CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000270672185 646127501 /nfs/dbraw/zinc/12/75/01/646127501.db2.gz ALDZZWJQMNBVKN-HZPDHXFCSA-N 1 2 386.583 2.427 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@@H+](CC)CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000270672185 646127507 /nfs/dbraw/zinc/12/75/07/646127507.db2.gz ALDZZWJQMNBVKN-HZPDHXFCSA-N 1 2 386.583 2.427 20 0 GEADLO COc1sc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1Br ZINC000270974880 646160225 /nfs/dbraw/zinc/16/02/25/646160225.db2.gz AIPZWRFBNTZIBW-SNVBAGLBSA-N 1 2 397.360 2.280 20 0 GEADLO COc1sc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1Br ZINC000270974880 646160228 /nfs/dbraw/zinc/16/02/28/646160228.db2.gz AIPZWRFBNTZIBW-SNVBAGLBSA-N 1 2 397.360 2.280 20 0 GEADLO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1cscn1 ZINC000271123930 646176142 /nfs/dbraw/zinc/17/61/42/646176142.db2.gz KBUJOPWCRHWWLK-DZGCQCFKSA-N 1 2 381.523 2.451 20 0 GEADLO C[N@H+](CCc1cnccn1)CC(=O)Nc1ccc(I)cc1 ZINC000271308328 646189502 /nfs/dbraw/zinc/18/95/02/646189502.db2.gz HEYJSMCGQWSTCN-UHFFFAOYSA-N 1 2 396.232 2.194 20 0 GEADLO C[N@@H+](CCc1cnccn1)CC(=O)Nc1ccc(I)cc1 ZINC000271308328 646189508 /nfs/dbraw/zinc/18/95/08/646189508.db2.gz HEYJSMCGQWSTCN-UHFFFAOYSA-N 1 2 396.232 2.194 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000272457164 646274365 /nfs/dbraw/zinc/27/43/65/646274365.db2.gz KRFUNMGRVKIKPL-SECBINFHSA-N 1 2 392.250 2.160 20 0 GEADLO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)[C@H]2C1 ZINC000272553303 646277549 /nfs/dbraw/zinc/27/75/49/646277549.db2.gz DDXZGDHUQLDVKS-RISCZKNCSA-N 1 2 376.400 2.146 20 0 GEADLO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)[C@H]2C1 ZINC000272553303 646277554 /nfs/dbraw/zinc/27/75/54/646277554.db2.gz DDXZGDHUQLDVKS-RISCZKNCSA-N 1 2 376.400 2.146 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000275822947 646360697 /nfs/dbraw/zinc/36/06/97/646360697.db2.gz FJZPVEMSGMRTTJ-AWEZNQCLSA-N 1 2 388.961 2.411 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1CN1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000275822947 646360702 /nfs/dbraw/zinc/36/07/02/646360702.db2.gz FJZPVEMSGMRTTJ-AWEZNQCLSA-N 1 2 388.961 2.411 20 0 GEADLO CC(C)(CN1C(=O)N[C@H](c2ccc(Br)cc2)C1=O)[NH+]1CCOCC1 ZINC000277581729 646446036 /nfs/dbraw/zinc/44/60/36/646446036.db2.gz YLNFVGHZKUFFQT-CQSZACIVSA-N 1 2 396.285 2.153 20 0 GEADLO C[C@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCS1(=O)=O ZINC000277654014 646458692 /nfs/dbraw/zinc/45/86/92/646458692.db2.gz NFKPBUDQLOUCHM-ZDUSSCGKSA-N 1 2 386.543 2.170 20 0 GEADLO Cn1cc([C@@H]2C[N@H+](CC(=O)Nc3cccc(Cl)c3Cl)C[C@H]2CO)cn1 ZINC000277739036 646468923 /nfs/dbraw/zinc/46/89/23/646468923.db2.gz KOKDIFIYFCUOHS-STQMWFEESA-N 1 2 383.279 2.373 20 0 GEADLO Cn1cc([C@@H]2C[N@@H+](CC(=O)Nc3cccc(Cl)c3Cl)C[C@H]2CO)cn1 ZINC000277739036 646468927 /nfs/dbraw/zinc/46/89/27/646468927.db2.gz KOKDIFIYFCUOHS-STQMWFEESA-N 1 2 383.279 2.373 20 0 GEADLO COc1ccc(Br)cc1-c1nc(C[NH+]2C[C@@H](O)[C@H](O)C2)cs1 ZINC000278628680 646532831 /nfs/dbraw/zinc/53/28/31/646532831.db2.gz GGRLCDMBWQNAJN-CHWSQXEVSA-N 1 2 385.283 2.119 20 0 GEADLO Cn1ncc(Br)c1C[NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000278728607 646543616 /nfs/dbraw/zinc/54/36/16/646543616.db2.gz LPAKBYBDMKJMJJ-SECBINFHSA-N 1 2 385.212 2.356 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(F)cc(Br)c1F ZINC000278953269 646565954 /nfs/dbraw/zinc/56/59/54/646565954.db2.gz OPHMZOKFJCMSMQ-SNVBAGLBSA-N 1 2 391.260 2.485 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000279362511 646595183 /nfs/dbraw/zinc/59/51/83/646595183.db2.gz DKCINQATXICXNU-NSHDSACASA-N 1 2 380.436 2.067 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCOc1cccc(I)c1 ZINC000279434066 646601330 /nfs/dbraw/zinc/60/13/30/646601330.db2.gz GWWWFHPAZQMOGC-LBPRGKRZSA-N 1 2 399.232 2.462 20 0 GEADLO Cc1nn(C)c(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1Br ZINC000279763685 646624836 /nfs/dbraw/zinc/62/48/36/646624836.db2.gz FEYVROZPUNBDJA-SWLSCSKDSA-N 1 2 382.306 2.170 20 0 GEADLO Cc1nn(C)c(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1Br ZINC000279763685 646624842 /nfs/dbraw/zinc/62/48/42/646624842.db2.gz FEYVROZPUNBDJA-SWLSCSKDSA-N 1 2 382.306 2.170 20 0 GEADLO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279968254 646641143 /nfs/dbraw/zinc/64/11/43/646641143.db2.gz CUUFPMZCXNZKAF-BDAKNGLRSA-N 1 2 382.313 2.158 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000281152916 646749530 /nfs/dbraw/zinc/74/95/30/646749530.db2.gz FOSAFCCNQSSDRQ-UHFFFAOYSA-N 1 2 382.302 2.056 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c(Br)c1OC ZINC000281212847 646754404 /nfs/dbraw/zinc/75/44/04/646754404.db2.gz BDOXBSQKVHYECG-NEPJUHHUSA-N 1 2 385.258 2.397 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c(Br)c1OC ZINC000281212847 646754408 /nfs/dbraw/zinc/75/44/08/646754408.db2.gz BDOXBSQKVHYECG-NEPJUHHUSA-N 1 2 385.258 2.397 20 0 GEADLO Brc1cnn(CCCCNc2cc(N3CCOCC3)nc[nH+]2)c1 ZINC000281365473 646765389 /nfs/dbraw/zinc/76/53/89/646765389.db2.gz DIBKSZJEPYYCRG-UHFFFAOYSA-N 1 2 381.278 2.165 20 0 GEADLO Brc1cnn(CCCCNc2cc(N3CCOCC3)[nH+]cn2)c1 ZINC000281365473 646765393 /nfs/dbraw/zinc/76/53/93/646765393.db2.gz DIBKSZJEPYYCRG-UHFFFAOYSA-N 1 2 381.278 2.165 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)c1ccc(Br)cc1 ZINC000281413227 646769998 /nfs/dbraw/zinc/76/99/98/646769998.db2.gz OFRGGQUXLDOUAN-KYOSRNDESA-N 1 2 396.285 2.057 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)c1ccc(Br)cc1 ZINC000281413227 646770002 /nfs/dbraw/zinc/77/00/02/646770002.db2.gz OFRGGQUXLDOUAN-KYOSRNDESA-N 1 2 396.285 2.057 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000281584771 646785254 /nfs/dbraw/zinc/78/52/54/646785254.db2.gz PUJIYOQJDFKGOU-JKSUJKDBSA-N 1 2 382.302 2.279 20 0 GEADLO C[C@](O)(C[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000282020264 646810855 /nfs/dbraw/zinc/81/08/55/646810855.db2.gz PENDAZVLIOPTEX-HNNXBMFYSA-N 1 2 379.810 2.209 20 0 GEADLO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000282171935 646817910 /nfs/dbraw/zinc/81/79/10/646817910.db2.gz VEXJGNCAGIJWOJ-UHFFFAOYSA-N 1 2 394.317 2.083 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284096209 646833267 /nfs/dbraw/zinc/83/32/67/646833267.db2.gz NILGHITWAVIZRR-RCBQFDQVSA-N 1 2 383.286 2.148 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284096209 646833269 /nfs/dbraw/zinc/83/32/69/646833269.db2.gz NILGHITWAVIZRR-RCBQFDQVSA-N 1 2 383.286 2.148 20 0 GEADLO Cn1nccc1CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000284379346 646840064 /nfs/dbraw/zinc/84/00/64/646840064.db2.gz LXHPAIMYGPDIFR-UHFFFAOYSA-N 1 2 388.946 2.074 20 0 GEADLO Cn1nccc1CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000284379346 646840069 /nfs/dbraw/zinc/84/00/69/646840069.db2.gz LXHPAIMYGPDIFR-UHFFFAOYSA-N 1 2 388.946 2.074 20 0 GEADLO COc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c(Br)c1O ZINC000289181644 646927180 /nfs/dbraw/zinc/92/71/80/646927180.db2.gz AIZGMSGRNWUYRR-GXTWGEPZSA-N 1 2 385.302 2.458 20 0 GEADLO COc1ccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c(Br)c1O ZINC000289181644 646927183 /nfs/dbraw/zinc/92/71/83/646927183.db2.gz AIZGMSGRNWUYRR-GXTWGEPZSA-N 1 2 385.302 2.458 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(OC)cc2OC(F)F)CC1 ZINC000289381507 646931374 /nfs/dbraw/zinc/93/13/74/646931374.db2.gz COIRAGGRNZJTPP-UHFFFAOYSA-N 1 2 378.441 2.200 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)S[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000289404377 646933156 /nfs/dbraw/zinc/93/31/56/646933156.db2.gz NQEYQFSEVMHLGF-CABCVRRESA-N 1 2 384.567 2.437 20 0 GEADLO Cn1ncc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)n1 ZINC000289406085 646933326 /nfs/dbraw/zinc/93/33/26/646933326.db2.gz UAYYIESCMSBKLB-UHFFFAOYSA-N 1 2 378.274 2.428 20 0 GEADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000290211336 647172265 /nfs/dbraw/zinc/17/22/65/647172265.db2.gz IVNZFEQHEDGGIM-VHSXEESVSA-N 1 2 382.814 2.089 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000291771796 647179516 /nfs/dbraw/zinc/17/95/16/647179516.db2.gz VWESYIPLQJUMIZ-LBPRGKRZSA-N 1 2 398.472 2.500 20 0 GEADLO C[N@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292154352 647181573 /nfs/dbraw/zinc/18/15/73/647181573.db2.gz KLGLZJNTIVHTOV-NSHDSACASA-N 1 2 377.388 2.312 20 0 GEADLO C[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292154352 647181576 /nfs/dbraw/zinc/18/15/76/647181576.db2.gz KLGLZJNTIVHTOV-NSHDSACASA-N 1 2 377.388 2.312 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cccc(Br)c2F)C1 ZINC000296663197 647254091 /nfs/dbraw/zinc/25/40/91/647254091.db2.gz FKIFFLNDZVKRTM-OCCSQVGLSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(Br)c2F)C1 ZINC000296663197 647254100 /nfs/dbraw/zinc/25/41/00/647254100.db2.gz FKIFFLNDZVKRTM-OCCSQVGLSA-N 1 2 376.266 2.434 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC000330705446 647347144 /nfs/dbraw/zinc/34/71/44/647347144.db2.gz SCCURVLXGGFRAF-NEPJUHHUSA-N 1 2 381.420 2.126 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC000330705446 647347150 /nfs/dbraw/zinc/34/71/50/647347150.db2.gz SCCURVLXGGFRAF-NEPJUHHUSA-N 1 2 381.420 2.126 20 0 GEADLO C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C[C@H](C)S1(=O)=O ZINC000332860382 647454680 /nfs/dbraw/zinc/45/46/80/647454680.db2.gz CRCOHBBHLRVCRD-ZNMIVQPWSA-N 1 2 385.555 2.102 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000333757181 647480594 /nfs/dbraw/zinc/48/05/94/647480594.db2.gz YXCNANBTZHJPHM-UHFFFAOYSA-N 1 2 379.551 2.450 20 0 GEADLO Cc1cc(Br)ccc1C(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000362141579 647567158 /nfs/dbraw/zinc/56/71/58/647567158.db2.gz ZMFVDSJMMWDTNV-UHFFFAOYSA-N 1 2 396.329 2.430 20 0 GEADLO Cc1cc(Br)ccc1C(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000362141579 647567162 /nfs/dbraw/zinc/56/71/62/647567162.db2.gz ZMFVDSJMMWDTNV-UHFFFAOYSA-N 1 2 396.329 2.430 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000363426749 647596025 /nfs/dbraw/zinc/59/60/25/647596025.db2.gz HPYVVHIVPNJTCN-ZIAGYGMSSA-N 1 2 386.949 2.120 20 0 GEADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000363635843 647604113 /nfs/dbraw/zinc/60/41/13/647604113.db2.gz OFVOBROIYHKNBZ-UHFFFAOYSA-N 1 2 376.259 2.369 20 0 GEADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000363635843 647604118 /nfs/dbraw/zinc/60/41/18/647604118.db2.gz OFVOBROIYHKNBZ-UHFFFAOYSA-N 1 2 376.259 2.369 20 0 GEADLO O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363785743 647607850 /nfs/dbraw/zinc/60/78/50/647607850.db2.gz YNGRQFISZQIXQB-QWHCGFSZSA-N 1 2 380.901 2.463 20 0 GEADLO O=S(=O)(c1ccc2nc(Cl)cnc2c1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365076928 647656938 /nfs/dbraw/zinc/65/69/38/647656938.db2.gz JUWNISOSJHGKGN-GFCCVEGCSA-N 1 2 398.941 2.095 20 0 GEADLO COC(=O)[C@H]1C[C@H](NC(=O)COc2cc(Cl)c(Cl)cc2Cl)C[NH2+]1 ZINC000365556028 647676909 /nfs/dbraw/zinc/67/69/09/647676909.db2.gz IRVBHBOSCKJGQV-WRWORJQWSA-N 1 2 381.643 2.045 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366053815 647691715 /nfs/dbraw/zinc/69/17/15/647691715.db2.gz SRJSIZFTQGDDSD-DZGCQCFKSA-N 1 2 383.286 2.150 20 0 GEADLO Cc1[nH]c(=O)c(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1Br ZINC000367086685 647718904 /nfs/dbraw/zinc/71/89/04/647718904.db2.gz VECYEYQREQCVTD-AWEZNQCLSA-N 1 2 377.242 2.040 20 0 GEADLO O=S(=O)(CCc1cccc(Cl)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000367558833 647738343 /nfs/dbraw/zinc/73/83/43/647738343.db2.gz GIQRHUQBRZDHCA-QGZVFWFLSA-N 1 2 386.945 2.257 20 0 GEADLO CCN(Cc1nnc(S(C)(=O)=O)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367567385 647738792 /nfs/dbraw/zinc/73/87/92/647738792.db2.gz WIHVJXJFFZDDCK-OAHLLOKOSA-N 1 2 380.539 2.038 20 0 GEADLO CCN(Cc1nnc(S(C)(=O)=O)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367567385 647738800 /nfs/dbraw/zinc/73/88/00/647738800.db2.gz WIHVJXJFFZDDCK-OAHLLOKOSA-N 1 2 380.539 2.038 20 0 GEADLO O=C1NC[C@@]2(CCC[N@@H+](Cc3cc4c(cc3Br)OCCO4)C2)O1 ZINC000369047392 647768278 /nfs/dbraw/zinc/76/82/78/647768278.db2.gz JXPSPRUPCCLQJZ-MRXNPFEDSA-N 1 2 383.242 2.295 20 0 GEADLO O=C1NC[C@@]2(CCC[N@H+](Cc3cc4c(cc3Br)OCCO4)C2)O1 ZINC000369047392 647768282 /nfs/dbraw/zinc/76/82/82/647768282.db2.gz JXPSPRUPCCLQJZ-MRXNPFEDSA-N 1 2 383.242 2.295 20 0 GEADLO C[NH+](C)C[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)cs2)c2ccccc2O1 ZINC000371330296 647791536 /nfs/dbraw/zinc/79/15/36/647791536.db2.gz TZWZJXKYNFYBGP-LBPRGKRZSA-N 1 2 380.491 2.121 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000374329281 647821493 /nfs/dbraw/zinc/82/14/93/647821493.db2.gz DUYJMLNSAVXKHT-JTQLQIEISA-N 1 2 395.232 2.276 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000374331674 647821641 /nfs/dbraw/zinc/82/16/41/647821641.db2.gz LHQJCAPSGNIIMZ-LLVKDONJSA-N 1 2 377.242 2.137 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000374342343 647822075 /nfs/dbraw/zinc/82/20/75/647822075.db2.gz SYFPDEDTBRKLLQ-GFCCVEGCSA-N 1 2 381.263 2.473 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCCCn2cc(Br)cn2)C1 ZINC000376439057 647846694 /nfs/dbraw/zinc/84/66/94/647846694.db2.gz ALFSHAAIUFAOFU-ZDUSSCGKSA-N 1 2 395.305 2.358 20 0 GEADLO C[C@@H]1[C@H]([NH2+]Cc2ncc(Br)cc2Br)CCS1(=O)=O ZINC000386250149 647889220 /nfs/dbraw/zinc/88/92/20/647889220.db2.gz SLSOICVTMQJUBH-GMSGAONNSA-N 1 2 398.120 2.272 20 0 GEADLO O=C(C[NH2+]Cc1cc(Cl)ccc1I)NCC(F)F ZINC000405424823 647911009 /nfs/dbraw/zinc/91/10/09/647911009.db2.gz FPWFSPZTEIZJGB-UHFFFAOYSA-N 1 2 388.583 2.416 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412117252 648043744 /nfs/dbraw/zinc/04/37/44/648043744.db2.gz YZEGGLINLJYFEJ-GPCCPHFNSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412117252 648043751 /nfs/dbraw/zinc/04/37/51/648043751.db2.gz YZEGGLINLJYFEJ-GPCCPHFNSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412117258 648043800 /nfs/dbraw/zinc/04/38/00/648043800.db2.gz YZEGGLINLJYFEJ-RULNRJAQSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412117258 648043808 /nfs/dbraw/zinc/04/38/08/648043808.db2.gz YZEGGLINLJYFEJ-RULNRJAQSA-N 1 2 380.794 2.361 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000413954743 648087909 /nfs/dbraw/zinc/08/79/09/648087909.db2.gz IXJBMUVPOZUZQB-UHFFFAOYSA-N 1 2 399.285 2.076 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[NH2+]Cc3ccc(F)cc32)cs1 ZINC000420468142 648418820 /nfs/dbraw/zinc/41/88/20/648418820.db2.gz ZHLZYAPCBNFGTE-JTQLQIEISA-N 1 2 384.454 2.361 20 0 GEADLO CO[C@H](CC(C)C)CS(=O)(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000420680826 648434176 /nfs/dbraw/zinc/43/41/76/648434176.db2.gz YKCKEXYSAOGAIE-DLBZAZTESA-N 1 2 376.563 2.000 20 0 GEADLO Cn1cc(Cl)c(CSCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000421215195 648472048 /nfs/dbraw/zinc/47/20/48/648472048.db2.gz FANDXEQGOFHYDZ-UHFFFAOYSA-N 1 2 379.917 2.441 20 0 GEADLO Cc1c(Cl)c(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)nn1C ZINC000421324181 648487179 /nfs/dbraw/zinc/48/71/79/648487179.db2.gz BKOUXGKHQLSDPW-UHFFFAOYSA-N 1 2 383.326 2.165 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)Nc1nc2cc(Br)ccn2n1 ZINC000516250704 648518956 /nfs/dbraw/zinc/51/89/56/648518956.db2.gz CBGKQGJFTMAGAZ-UHFFFAOYSA-N 1 2 378.234 2.290 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2c1cccc2Br ZINC000422164029 648526349 /nfs/dbraw/zinc/52/63/49/648526349.db2.gz MXZZDABSJSUEST-CYBMUJFWSA-N 1 2 381.318 2.157 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424879476 648655384 /nfs/dbraw/zinc/65/53/84/648655384.db2.gz LBSAFNASEWDQCD-UHFFFAOYSA-N 1 2 396.285 2.360 20 0 GEADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCCOc1cccc(I)c1 ZINC000426163078 648706057 /nfs/dbraw/zinc/70/60/57/648706057.db2.gz QXDHOCKLLYVGCA-GFCCVEGCSA-N 1 2 388.249 2.223 20 0 GEADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCCOc1cccc(I)c1 ZINC000426163078 648706067 /nfs/dbraw/zinc/70/60/67/648706067.db2.gz QXDHOCKLLYVGCA-GFCCVEGCSA-N 1 2 388.249 2.223 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000427054497 648721101 /nfs/dbraw/zinc/72/11/01/648721101.db2.gz YPKGTFJGNWCMLF-GFCCVEGCSA-N 1 2 391.269 2.332 20 0 GEADLO Cc1[nH+]cn(-c2ccc(NC(=O)c3csc(S(N)(=O)=O)c3)cc2)c1C ZINC000428603152 648741214 /nfs/dbraw/zinc/74/12/14/648741214.db2.gz VCQMATLWLWCYMK-UHFFFAOYSA-N 1 2 376.463 2.450 20 0 GEADLO COc1ccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c(Br)c1 ZINC000432835285 648781691 /nfs/dbraw/zinc/78/16/91/648781691.db2.gz GSKJEZURYPFZBX-ZDUSSCGKSA-N 1 2 384.274 2.442 20 0 GEADLO COc1ccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c(Br)c1 ZINC000432835285 648781699 /nfs/dbraw/zinc/78/16/99/648781699.db2.gz GSKJEZURYPFZBX-ZDUSSCGKSA-N 1 2 384.274 2.442 20 0 GEADLO COCC1=CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000548134225 651065415 /nfs/dbraw/zinc/06/54/15/651065415.db2.gz RZZIOMXZKURSHW-OAHLLOKOSA-N 1 2 379.254 2.360 20 0 GEADLO COCC1=CC[N@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000548134225 651065417 /nfs/dbraw/zinc/06/54/17/651065417.db2.gz RZZIOMXZKURSHW-OAHLLOKOSA-N 1 2 379.254 2.360 20 0 GEADLO OCCNc1nc(NCc2ccsc2Br)[nH+]c2ccccc21 ZINC000548872928 651088394 /nfs/dbraw/zinc/08/83/94/651088394.db2.gz NUYPIBXSCHKYEX-UHFFFAOYSA-N 1 2 379.283 2.314 20 0 GEADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000548918784 651089252 /nfs/dbraw/zinc/08/92/52/651089252.db2.gz IMEBLKKSLBLDQK-RYUDHWBXSA-N 1 2 384.502 2.406 20 0 GEADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000548918784 651089253 /nfs/dbraw/zinc/08/92/53/651089253.db2.gz IMEBLKKSLBLDQK-RYUDHWBXSA-N 1 2 384.502 2.406 20 0 GEADLO CCCNC(=O)NC(=O)C[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000549733332 651099617 /nfs/dbraw/zinc/09/96/17/651099617.db2.gz CTPOTIADTULLPQ-UHFFFAOYSA-N 1 2 392.319 2.195 20 0 GEADLO CCCNC(=O)NC(=O)C[N@@H+](CCOC)Cc1cc(Br)cs1 ZINC000549733332 651099619 /nfs/dbraw/zinc/09/96/19/651099619.db2.gz CTPOTIADTULLPQ-UHFFFAOYSA-N 1 2 392.319 2.195 20 0 GEADLO COC(=O)CCc1csc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC000551388777 651123586 /nfs/dbraw/zinc/12/35/86/651123586.db2.gz VZVCNNHIZHPDTG-UHFFFAOYSA-N 1 2 383.495 2.111 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cnc(-c3ccsc3)s2)C1 ZINC000552167589 651142209 /nfs/dbraw/zinc/14/22/09/651142209.db2.gz AUYAQQVLGDIIQW-GFCCVEGCSA-N 1 2 379.507 2.486 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cnc(-c3ccsc3)s2)C1 ZINC000552167589 651142213 /nfs/dbraw/zinc/14/22/13/651142213.db2.gz AUYAQQVLGDIIQW-GFCCVEGCSA-N 1 2 379.507 2.486 20 0 GEADLO COCCn1nnc2c1CC[N@H+](Cc1ccc(Br)cc1OC)C2 ZINC000552315580 651146442 /nfs/dbraw/zinc/14/64/42/651146442.db2.gz VBKSFRNUZLQPIH-UHFFFAOYSA-N 1 2 381.274 2.254 20 0 GEADLO COCCn1nnc2c1CC[N@@H+](Cc1ccc(Br)cc1OC)C2 ZINC000552315580 651146444 /nfs/dbraw/zinc/14/64/44/651146444.db2.gz VBKSFRNUZLQPIH-UHFFFAOYSA-N 1 2 381.274 2.254 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(Cl)cc(F)c2Br)CC[N@@H+]1CCO ZINC000552440724 651149493 /nfs/dbraw/zinc/14/94/93/651149493.db2.gz SIOLFOYODNYNLQ-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO C[C@H]1CN(C(=O)c2cc(Cl)cc(F)c2Br)CC[N@H+]1CCO ZINC000552440724 651149495 /nfs/dbraw/zinc/14/94/95/651149495.db2.gz SIOLFOYODNYNLQ-VIFPVBQESA-N 1 2 379.657 2.380 20 0 GEADLO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCc2c[nH+]cn2C1 ZINC000553052213 651163089 /nfs/dbraw/zinc/16/30/89/651163089.db2.gz JEPFTHQFFCJWNV-AAEUAGOBSA-N 1 2 384.263 2.308 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000553468328 651176816 /nfs/dbraw/zinc/17/68/16/651176816.db2.gz IPQZZNVMZGEKMS-LLVKDONJSA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000553468328 651176817 /nfs/dbraw/zinc/17/68/17/651176817.db2.gz IPQZZNVMZGEKMS-LLVKDONJSA-N 1 2 396.738 2.108 20 0 GEADLO CC(=O)NCC[N@H+](Cc1ccsc1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000554829166 651214091 /nfs/dbraw/zinc/21/40/91/651214091.db2.gz AKZNTAUZLHCGBG-AWEZNQCLSA-N 1 2 377.432 2.240 20 0 GEADLO CC(=O)NCC[N@@H+](Cc1ccsc1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000554829166 651214094 /nfs/dbraw/zinc/21/40/94/651214094.db2.gz AKZNTAUZLHCGBG-AWEZNQCLSA-N 1 2 377.432 2.240 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000554968130 651214888 /nfs/dbraw/zinc/21/48/88/651214888.db2.gz LQSGHZUXXOJUDZ-OKILXGFUSA-N 1 2 390.933 2.264 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000554968130 651214891 /nfs/dbraw/zinc/21/48/91/651214891.db2.gz LQSGHZUXXOJUDZ-OKILXGFUSA-N 1 2 390.933 2.264 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)Cc1ccc(C(F)F)cc1)[NH+]1CCOCC1 ZINC000555286717 651221912 /nfs/dbraw/zinc/22/19/12/651221912.db2.gz CDIDNXAZQNQWNK-INIZCTEOSA-N 1 2 376.469 2.400 20 0 GEADLO CC(C)[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000556103635 651236771 /nfs/dbraw/zinc/23/67/71/651236771.db2.gz GLNSCHLUNJETFV-HNNXBMFYSA-N 1 2 381.325 2.317 20 0 GEADLO Cn1c[nH+]cc1[C@H]1C[C@H](NS(=O)(=O)CCc2cccc(Cl)c2)CCO1 ZINC000556817281 651254130 /nfs/dbraw/zinc/25/41/30/651254130.db2.gz KHLQXFWHHGOGPP-NVXWUHKLSA-N 1 2 383.901 2.456 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1csc(Br)c1)C2 ZINC000556832914 651254621 /nfs/dbraw/zinc/25/46/21/651254621.db2.gz MZOJWJBXYHYTOC-LLVKDONJSA-N 1 2 384.299 2.295 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)ccc2F)C1 ZINC000556988434 651259419 /nfs/dbraw/zinc/25/94/19/651259419.db2.gz DKEDAPSVCZAPJR-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(Br)ccc2F)C1 ZINC000556988434 651259424 /nfs/dbraw/zinc/25/94/24/651259424.db2.gz DKEDAPSVCZAPJR-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)[C@H]([NH3+])Cc1cn(CC/C=C\c2ccc(Br)cc2)nn1 ZINC000603227666 651472713 /nfs/dbraw/zinc/47/27/13/651472713.db2.gz NROPWUTZUJPNQI-NSRYLSIASA-N 1 2 379.258 2.187 20 0 GEADLO COc1ccc(Br)c2[nH]c(C(=O)N[C@H](C)C[NH+]3CCOCC3)cc21 ZINC000642592754 651472785 /nfs/dbraw/zinc/47/27/85/651472785.db2.gz XZDXFLXXXSXNSK-LLVKDONJSA-N 1 2 396.285 2.390 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000642773258 651474629 /nfs/dbraw/zinc/47/46/29/651474629.db2.gz GHTFWLHYYBBJEK-CHWSQXEVSA-N 1 2 379.309 2.213 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000726259868 651488528 /nfs/dbraw/zinc/48/85/28/651488528.db2.gz VFXBHRAJHASKDM-DOMZBBRYSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000726259868 651488532 /nfs/dbraw/zinc/48/85/32/651488532.db2.gz VFXBHRAJHASKDM-DOMZBBRYSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000726259872 651488755 /nfs/dbraw/zinc/48/87/55/651488755.db2.gz VFXBHRAJHASKDM-SWLSCSKDSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000726259872 651488759 /nfs/dbraw/zinc/48/87/59/651488759.db2.gz VFXBHRAJHASKDM-SWLSCSKDSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(I)cc2)CCO1 ZINC000726258063 651488891 /nfs/dbraw/zinc/48/88/91/651488891.db2.gz VATRLJBUDOXSCI-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(I)cc2)CCO1 ZINC000726258063 651488893 /nfs/dbraw/zinc/48/88/93/651488893.db2.gz VATRLJBUDOXSCI-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO O=C(NCC(F)(F)F)C1CC[NH+](Cn2c(=O)sc3c2CCCC3)CC1 ZINC000727165381 651513824 /nfs/dbraw/zinc/51/38/24/651513824.db2.gz CNRHDORQQQOMLE-UHFFFAOYSA-N 1 2 377.432 2.137 20 0 GEADLO N[C@@H](C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cscn1 ZINC000563532226 651530354 /nfs/dbraw/zinc/53/03/54/651530354.db2.gz XFPAUYOMXSYYJW-MRXNPFEDSA-N 1 2 380.901 2.020 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000563589604 651534613 /nfs/dbraw/zinc/53/46/13/651534613.db2.gz XDTKIHDVKDSAFN-UHOFOFEASA-N 1 2 382.302 2.325 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000565234430 651589938 /nfs/dbraw/zinc/58/99/38/651589938.db2.gz FAAOWNVJIUYJRJ-NSHDSACASA-N 1 2 394.871 2.492 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000565234430 651589942 /nfs/dbraw/zinc/58/99/42/651589942.db2.gz FAAOWNVJIUYJRJ-NSHDSACASA-N 1 2 394.871 2.492 20 0 GEADLO O=C(/C=C\c1ccc(Br)o1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731337279 651624260 /nfs/dbraw/zinc/62/42/60/651624260.db2.gz YZRUNYVQUZOZFU-RQOWECAXSA-N 1 2 395.257 2.223 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H](c2cccs2)C2CC2)CC1 ZINC000731757176 651634738 /nfs/dbraw/zinc/63/47/38/651634738.db2.gz RDGJQIHZDSSYNO-MRXNPFEDSA-N 1 2 385.555 2.007 20 0 GEADLO CC(C)N(Cc1cccs1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731761283 651634757 /nfs/dbraw/zinc/63/47/57/651634757.db2.gz CHRHCCVMTLGNFY-UHFFFAOYSA-N 1 2 387.571 2.177 20 0 GEADLO O=C([C@H]1CCc2c[nH+]cn2C1)N(CCO)Cc1cccc(Br)c1 ZINC000567975982 651643009 /nfs/dbraw/zinc/64/30/09/651643009.db2.gz FUZSZMNTLSHEIG-AWEZNQCLSA-N 1 2 378.270 2.229 20 0 GEADLO COCCNc1nn(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(=S)s1 ZINC000732190547 651647762 /nfs/dbraw/zinc/64/77/62/651647762.db2.gz JRKWSHPUJFQNDJ-CYBMUJFWSA-N 1 2 385.559 2.024 20 0 GEADLO COCCNc1nn(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(=S)s1 ZINC000732190547 651647767 /nfs/dbraw/zinc/64/77/67/651647767.db2.gz JRKWSHPUJFQNDJ-CYBMUJFWSA-N 1 2 385.559 2.024 20 0 GEADLO Cc1cn2cc(NC(=O)C(=O)NCc3cc(Br)ccn3)ccc2[nH+]1 ZINC000645783881 651651475 /nfs/dbraw/zinc/65/14/75/651651475.db2.gz UIJUUDDMMHFWSX-UHFFFAOYSA-N 1 2 388.225 2.055 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000610262721 651652435 /nfs/dbraw/zinc/65/24/35/651652435.db2.gz RYGGCVNYARXTQK-AWEZNQCLSA-N 1 2 383.857 2.349 20 0 GEADLO O=S(=O)(/C=C/c1cccc(Br)c1)NCC[NH+]1CCSCC1 ZINC000732814630 651676046 /nfs/dbraw/zinc/67/60/46/651676046.db2.gz JMYSZRVEYOSVTE-NYYWCZLTSA-N 1 2 391.356 2.388 20 0 GEADLO COCC[N@H+](Cc1scnc1C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000568889820 651687512 /nfs/dbraw/zinc/68/75/12/651687512.db2.gz WUXVUFANYTVBQY-UHFFFAOYSA-N 1 2 389.930 2.401 20 0 GEADLO COCC[N@@H+](Cc1scnc1C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000568889820 651687516 /nfs/dbraw/zinc/68/75/16/651687516.db2.gz WUXVUFANYTVBQY-UHFFFAOYSA-N 1 2 389.930 2.401 20 0 GEADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cncc(I)c1 ZINC000611132435 651709545 /nfs/dbraw/zinc/70/95/45/651709545.db2.gz BADNLNBUQXBCGZ-UHFFFAOYSA-N 1 2 393.228 2.432 20 0 GEADLO C[C@H]1CN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CCS(=O)(=O)C1 ZINC000569887794 651731484 /nfs/dbraw/zinc/73/14/84/651731484.db2.gz ORCXHQJRQREEKN-BBRMVZONSA-N 1 2 387.933 2.019 20 0 GEADLO Cc1cccc2cc(S(=O)(=O)N3CC[NH2+]C[C@@H]3c3nccn3C)sc21 ZINC000647292821 651742122 /nfs/dbraw/zinc/74/21/22/651742122.db2.gz GXQNEFWMXBPKON-CQSZACIVSA-N 1 2 376.507 2.278 20 0 GEADLO C[NH+](C)[C@H](C(=O)N1CSC[C@@H]1C(=O)NCC1CC1)c1ccc(Cl)cc1 ZINC000570736835 651787723 /nfs/dbraw/zinc/78/77/23/651787723.db2.gz OKDPCPXSRRRTDN-CVEARBPZSA-N 1 2 381.929 2.370 20 0 GEADLO C[NH+](C)[C@@H](C(=O)N1CCN(CC(F)(F)F)C(=O)C1)c1ccc(Cl)cc1 ZINC000570824064 651794130 /nfs/dbraw/zinc/79/41/30/651794130.db2.gz OACSVUVLOZVEMD-CQSZACIVSA-N 1 2 377.794 2.176 20 0 GEADLO C[C@@H](NC(=O)c1c2ccc(Br)cc2nn1C)[C@H](C)[NH+]1CCOCC1 ZINC000648771295 651801202 /nfs/dbraw/zinc/80/12/02/651801202.db2.gz MAVQKZNWCRHHIT-NEPJUHHUSA-N 1 2 395.301 2.175 20 0 GEADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)C1 ZINC000649124757 651816486 /nfs/dbraw/zinc/81/64/86/651816486.db2.gz QHHQDEJZNTYZTG-SNVBAGLBSA-N 1 2 383.271 2.237 20 0 GEADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)C1 ZINC000649124757 651816491 /nfs/dbraw/zinc/81/64/91/651816491.db2.gz QHHQDEJZNTYZTG-SNVBAGLBSA-N 1 2 383.271 2.237 20 0 GEADLO Cc1ccncc1S(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000571274700 651822156 /nfs/dbraw/zinc/82/21/56/651822156.db2.gz NPSYSTCOBQRHQD-KRWDZBQOSA-N 1 2 377.535 2.286 20 0 GEADLO Cc1ccncc1S(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000571274700 651822161 /nfs/dbraw/zinc/82/21/61/651822161.db2.gz NPSYSTCOBQRHQD-KRWDZBQOSA-N 1 2 377.535 2.286 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc(SCC(F)(F)F)c3)C[C@@H]21 ZINC000571305566 651824778 /nfs/dbraw/zinc/82/47/78/651824778.db2.gz VRCDQGSMPDGZBG-STQMWFEESA-N 1 2 375.416 2.281 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc(SCC(F)(F)F)c3)C[C@@H]21 ZINC000571305566 651824782 /nfs/dbraw/zinc/82/47/82/651824782.db2.gz VRCDQGSMPDGZBG-STQMWFEESA-N 1 2 375.416 2.281 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(S(N)(=O)=O)c(C)c2)n1 ZINC000736551888 651825779 /nfs/dbraw/zinc/82/57/79/651825779.db2.gz XNBFHSIXVUXCNL-UHFFFAOYSA-N 1 2 382.511 2.193 20 0 GEADLO O=C([C@@H](O)C1CC1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000614440265 651827733 /nfs/dbraw/zinc/82/77/33/651827733.db2.gz IWRKPMVELRACQL-INIZCTEOSA-N 1 2 378.270 2.445 20 0 GEADLO Cn1[nH]c([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nc1=N ZINC000649540615 651830087 /nfs/dbraw/zinc/83/00/87/651830087.db2.gz MICHQXXSSRMDMO-YGRLFVJLSA-N 1 2 386.283 2.111 20 0 GEADLO Cn1[nH]c([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nc1=N ZINC000649540615 651830090 /nfs/dbraw/zinc/83/00/90/651830090.db2.gz MICHQXXSSRMDMO-YGRLFVJLSA-N 1 2 386.283 2.111 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)cc1F ZINC000614719337 651834422 /nfs/dbraw/zinc/83/44/22/651834422.db2.gz XIGDUXRZEBPXEH-DOMZBBRYSA-N 1 2 385.277 2.452 20 0 GEADLO O=C1[C@@H]2Cc3c(Br)cccc3CN2C(=O)N1CCn1cc[nH+]c1 ZINC000571506777 651836626 /nfs/dbraw/zinc/83/66/26/651836626.db2.gz AZQJTWWGMBROPS-AWEZNQCLSA-N 1 2 375.226 2.035 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000571604588 651842897 /nfs/dbraw/zinc/84/28/97/651842897.db2.gz FRTFWZMQGLAPTI-UHFFFAOYSA-N 1 2 380.539 2.124 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000571604588 651842898 /nfs/dbraw/zinc/84/28/98/651842898.db2.gz FRTFWZMQGLAPTI-UHFFFAOYSA-N 1 2 380.539 2.124 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615127742 651850839 /nfs/dbraw/zinc/85/08/39/651850839.db2.gz JTTILYDTHFKRAT-FZMZJTMJSA-N 1 2 379.258 2.426 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615127742 651850844 /nfs/dbraw/zinc/85/08/44/651850844.db2.gz JTTILYDTHFKRAT-FZMZJTMJSA-N 1 2 379.258 2.426 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000615416330 651863995 /nfs/dbraw/zinc/86/39/95/651863995.db2.gz QZOJFTJVQWCOEV-HUUCEWRRSA-N 1 2 381.885 2.157 20 0 GEADLO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615547501 651867190 /nfs/dbraw/zinc/86/71/90/651867190.db2.gz LSGKBGADIKQMNC-ZDUSSCGKSA-N 1 2 393.285 2.262 20 0 GEADLO O=C(COc1ccc(Br)cc1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615555981 651867651 /nfs/dbraw/zinc/86/76/51/651867651.db2.gz KHWZYRIFNLJRLG-OAHLLOKOSA-N 1 2 383.286 2.151 20 0 GEADLO Cc1ccc(OCc2nc(C[NH2+][C@@H]3CCN(S(C)(=O)=O)C3)cs2)cc1 ZINC000572248786 651881146 /nfs/dbraw/zinc/88/11/46/651881146.db2.gz QWOQSKKPDYYUJX-CQSZACIVSA-N 1 2 381.523 2.154 20 0 GEADLO O=S(=O)(c1cnc2ccsc2c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000572302991 651884279 /nfs/dbraw/zinc/88/42/79/651884279.db2.gz VRUKWPVWKKKEIM-AWEZNQCLSA-N 1 2 381.523 2.172 20 0 GEADLO CCOc1ccncc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000572379794 651888834 /nfs/dbraw/zinc/88/88/34/651888834.db2.gz QKADKUWNBXFMIN-OAHLLOKOSA-N 1 2 381.885 2.469 20 0 GEADLO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000651648457 651893005 /nfs/dbraw/zinc/89/30/05/651893005.db2.gz WYGJCTMZGIMEBX-UHFFFAOYSA-N 1 2 377.913 2.174 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)[C@H](C)C1 ZINC000651651688 651893387 /nfs/dbraw/zinc/89/33/87/651893387.db2.gz HASWUWJUQUJRQU-NXEZZACHSA-N 1 2 387.354 2.272 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)[C@H](C)C1 ZINC000651651688 651893390 /nfs/dbraw/zinc/89/33/90/651893390.db2.gz HASWUWJUQUJRQU-NXEZZACHSA-N 1 2 387.354 2.272 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)sc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000651742870 651894803 /nfs/dbraw/zinc/89/48/03/651894803.db2.gz ACOCJTCXFDBFOH-ZJUUUORDSA-N 1 2 387.354 2.272 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)sc2Cl)[C@@H](C)C[N@H+]1CCO ZINC000651742870 651894807 /nfs/dbraw/zinc/89/48/07/651894807.db2.gz ACOCJTCXFDBFOH-ZJUUUORDSA-N 1 2 387.354 2.272 20 0 GEADLO Cc1nc(CC(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)n[nH]1 ZINC000616326932 651895675 /nfs/dbraw/zinc/89/56/75/651895675.db2.gz QMWLUNHSAXADFG-UHFFFAOYSA-N 1 2 392.301 2.199 20 0 GEADLO C[C@@](CO)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000616829868 651912006 /nfs/dbraw/zinc/91/20/06/651912006.db2.gz VTAKNENKFBOUAD-SJCJKPOMSA-N 1 2 378.270 2.232 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000652998070 651931136 /nfs/dbraw/zinc/93/11/36/651931136.db2.gz YLBHSOJLWLBZEW-HNNXBMFYSA-N 1 2 399.329 2.360 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2ccc(C)c(Br)c2)CC1 ZINC000652999575 651931802 /nfs/dbraw/zinc/93/18/02/651931802.db2.gz CDKOIPDJFBZLBB-UHFFFAOYSA-N 1 2 385.302 2.178 20 0 GEADLO CCOC(=O)[C@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000741246292 651941037 /nfs/dbraw/zinc/94/10/37/651941037.db2.gz JMFRPONOXQQKLK-CQSZACIVSA-N 1 2 385.258 2.042 20 0 GEADLO CCOC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000741246292 651941041 /nfs/dbraw/zinc/94/10/41/651941041.db2.gz JMFRPONOXQQKLK-CQSZACIVSA-N 1 2 385.258 2.042 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cccc(=O)[nH]3)[nH+]c12 ZINC000573581697 651966417 /nfs/dbraw/zinc/96/64/17/651966417.db2.gz OKKSCHMDWFEVOV-UHFFFAOYSA-N 1 2 375.226 2.478 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)CO1 ZINC000617736036 651968777 /nfs/dbraw/zinc/96/87/77/651968777.db2.gz VWOXQJXDHHSLAZ-NWDGAFQWSA-N 1 2 385.295 2.409 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[C@@H](C)CO1 ZINC000617736036 651968797 /nfs/dbraw/zinc/96/87/97/651968797.db2.gz VWOXQJXDHHSLAZ-NWDGAFQWSA-N 1 2 385.295 2.409 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617733969 651968898 /nfs/dbraw/zinc/96/88/98/651968898.db2.gz YFZSIUZGHALTDW-MJBXVCDLSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617733969 651968906 /nfs/dbraw/zinc/96/89/06/651968906.db2.gz YFZSIUZGHALTDW-MJBXVCDLSA-N 1 2 385.302 2.442 20 0 GEADLO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000655563031 651989768 /nfs/dbraw/zinc/98/97/68/651989768.db2.gz WVMBXFGMLUGVDE-ZDUSSCGKSA-N 1 2 384.299 2.388 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)c1 ZINC000574161780 652005030 /nfs/dbraw/zinc/00/50/30/652005030.db2.gz JHYBURMIHCNSPZ-CYBMUJFWSA-N 1 2 381.263 2.439 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)s1 ZINC000618454778 652017153 /nfs/dbraw/zinc/01/71/53/652017153.db2.gz WEBDQUALOPIFAF-AAEUAGOBSA-N 1 2 385.511 2.119 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NCC1(S(C)(=O)=O)CCCCC1)c1cccs1 ZINC000656550756 652038284 /nfs/dbraw/zinc/03/82/84/652038284.db2.gz ZEAJFFSSEGZHCY-CQSZACIVSA-N 1 2 387.571 2.398 20 0 GEADLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000656681236 652045892 /nfs/dbraw/zinc/04/58/92/652045892.db2.gz CDDVRPUWBLOTFZ-VXGBXAGGSA-N 1 2 382.511 2.071 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000575180886 652066980 /nfs/dbraw/zinc/06/69/80/652066980.db2.gz HDFBYTYTEXDMGS-GFCCVEGCSA-N 1 2 385.686 2.425 20 0 GEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1nnnn1-c1ccccc1Br ZINC000745082663 652068255 /nfs/dbraw/zinc/06/82/55/652068255.db2.gz HOUKYUFQWCTVPI-CQSZACIVSA-N 1 2 394.273 2.342 20 0 GEADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1nnnn1-c1ccccc1Br ZINC000745082663 652068259 /nfs/dbraw/zinc/06/82/59/652068259.db2.gz HOUKYUFQWCTVPI-CQSZACIVSA-N 1 2 394.273 2.342 20 0 GEADLO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccncc1F ZINC000575201154 652068655 /nfs/dbraw/zinc/06/86/55/652068655.db2.gz XIIGZWUZKRKBJQ-LBPRGKRZSA-N 1 2 385.486 2.154 20 0 GEADLO C[C@@H](CNS(=O)(=O)Cc1cc(F)ccc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000657023064 652089802 /nfs/dbraw/zinc/08/98/02/652089802.db2.gz MFSXWPLOJQHHCM-RWMBFGLXSA-N 1 2 378.897 2.396 20 0 GEADLO C[C@@H](CNS(=O)(=O)Cc1cc(F)ccc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000657023064 652089811 /nfs/dbraw/zinc/08/98/11/652089811.db2.gz MFSXWPLOJQHHCM-RWMBFGLXSA-N 1 2 378.897 2.396 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000657027934 652090957 /nfs/dbraw/zinc/09/09/57/652090957.db2.gz FGISBNSJFTXNNE-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000657027934 652090961 /nfs/dbraw/zinc/09/09/61/652090961.db2.gz FGISBNSJFTXNNE-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO Cc1sc2nc([C@H](C)N3CC[NH+](CC[S@@](C)=O)CC3)[nH]c(=O)c2c1C ZINC000746467582 652109223 /nfs/dbraw/zinc/10/92/23/652109223.db2.gz LPJMPBYBIISXCN-UOXLDJKESA-N 1 2 382.555 2.071 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746472372 652109901 /nfs/dbraw/zinc/10/99/01/652109901.db2.gz FDXPOYOAQHJLHB-FNODVLLQSA-N 1 2 392.352 2.317 20 0 GEADLO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1[C@@H]1CCn2cc[nH+]c2C1 ZINC000576653181 652134200 /nfs/dbraw/zinc/13/42/00/652134200.db2.gz LZAQVHURWWUGHK-OCCSQVGLSA-N 1 2 375.226 2.254 20 0 GEADLO O=C(C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21)NCc1ccc(Cl)cc1 ZINC000621356884 652151470 /nfs/dbraw/zinc/15/14/70/652151470.db2.gz ZZWRSPWTCHYIPA-KRWDZBQOSA-N 1 2 378.881 2.216 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000747281280 652154921 /nfs/dbraw/zinc/15/49/21/652154921.db2.gz AJMRYQGICPXOJX-GMMCIKNFSA-N 1 2 386.901 2.210 20 0 GEADLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000576952012 652158399 /nfs/dbraw/zinc/15/83/99/652158399.db2.gz NPNKDSAYVLFPBV-UHFFFAOYSA-N 1 2 396.310 2.349 20 0 GEADLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(Br)cn2)C1 ZINC000576952012 652158403 /nfs/dbraw/zinc/15/84/03/652158403.db2.gz NPNKDSAYVLFPBV-UHFFFAOYSA-N 1 2 396.310 2.349 20 0 GEADLO CNC(=O)COc1cccc(C[NH2+]Cc2c(F)cncc2Br)c1 ZINC000657316398 652161144 /nfs/dbraw/zinc/16/11/44/652161144.db2.gz FNUIDQRIDLXWAM-UHFFFAOYSA-N 1 2 382.233 2.398 20 0 GEADLO Cc1csc([C@](O)(CC(=O)NC[C@H](C)Cn2cc[nH+]c2)C(F)(F)F)n1 ZINC000747400924 652162250 /nfs/dbraw/zinc/16/22/50/652162250.db2.gz PTLUZLSRJHTWCG-IINYFYTJSA-N 1 2 376.404 2.241 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)n1 ZINC000657447891 652164958 /nfs/dbraw/zinc/16/49/58/652164958.db2.gz SJIGOUONPBQDTB-GFCCVEGCSA-N 1 2 382.306 2.131 20 0 GEADLO CO[C@@H](C)c1nc(CN2CCC[N@H+](CCS(=O)(=O)C(C)C)CC2)cs1 ZINC000747528771 652167692 /nfs/dbraw/zinc/16/76/92/652167692.db2.gz DHQXYNDTXSYUHQ-HNNXBMFYSA-N 1 2 389.587 2.181 20 0 GEADLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](CCS(=O)(=O)C(C)C)CC2)cs1 ZINC000747528771 652167704 /nfs/dbraw/zinc/16/77/04/652167704.db2.gz DHQXYNDTXSYUHQ-HNNXBMFYSA-N 1 2 389.587 2.181 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc3c(cc2Br)OCO3)[C@H](C)CO1 ZINC000622143594 652185709 /nfs/dbraw/zinc/18/57/09/652185709.db2.gz BNHHJLFMRRSHQO-GHMZBOCLSA-N 1 2 385.258 2.017 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc3c(cc2Br)OCO3)[C@H](C)CO1 ZINC000622143594 652185712 /nfs/dbraw/zinc/18/57/12/652185712.db2.gz BNHHJLFMRRSHQO-GHMZBOCLSA-N 1 2 385.258 2.017 20 0 GEADLO CC(=O)N(c1nc(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cs1)C1CC1 ZINC000657654114 652186700 /nfs/dbraw/zinc/18/67/00/652186700.db2.gz UBMMOOHCLMGKAR-UHFFFAOYSA-N 1 2 385.555 2.496 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ncccc2Br)cn1 ZINC000577498908 652193123 /nfs/dbraw/zinc/19/31/23/652193123.db2.gz HIGPOUYBZAFVRN-UHFFFAOYSA-N 1 2 389.257 2.117 20 0 GEADLO O=c1ccccn1CC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000622500164 652195026 /nfs/dbraw/zinc/19/50/26/652195026.db2.gz CCGPXHLXDUNONB-UHFFFAOYSA-N 1 2 382.327 2.490 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000748462782 652203444 /nfs/dbraw/zinc/20/34/44/652203444.db2.gz YCGBLCVMWQESHL-XHDPSFHLSA-N 1 2 389.279 2.435 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000748462782 652203460 /nfs/dbraw/zinc/20/34/60/652203460.db2.gz YCGBLCVMWQESHL-XHDPSFHLSA-N 1 2 389.279 2.435 20 0 GEADLO COc1c(N)[nH+]cnc1N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000577745441 652212275 /nfs/dbraw/zinc/21/22/75/652212275.db2.gz JUDVLKHOJNVPQU-UHFFFAOYSA-N 1 2 380.246 2.213 20 0 GEADLO COc1c(N)nc[nH+]c1N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000577745441 652212286 /nfs/dbraw/zinc/21/22/86/652212286.db2.gz JUDVLKHOJNVPQU-UHFFFAOYSA-N 1 2 380.246 2.213 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000577864506 652224333 /nfs/dbraw/zinc/22/43/33/652224333.db2.gz NJYDSQOQVKKERZ-RYUDHWBXSA-N 1 2 398.276 2.457 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000577864506 652224337 /nfs/dbraw/zinc/22/43/37/652224337.db2.gz NJYDSQOQVKKERZ-RYUDHWBXSA-N 1 2 398.276 2.457 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000623255270 652229447 /nfs/dbraw/zinc/22/94/47/652229447.db2.gz YSEZJMORXRVIIW-AAEUAGOBSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000623255270 652229456 /nfs/dbraw/zinc/22/94/56/652229456.db2.gz YSEZJMORXRVIIW-AAEUAGOBSA-N 1 2 376.266 2.359 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000623256200 652229473 /nfs/dbraw/zinc/22/94/73/652229473.db2.gz APUUHUAOOLBIQY-LBPRGKRZSA-N 1 2 377.235 2.184 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ncc(Br)cc1Br ZINC000623261826 652230295 /nfs/dbraw/zinc/23/02/95/652230295.db2.gz CJPBFWZJIBMFRW-QMMMGPOBSA-N 1 2 386.047 2.158 20 0 GEADLO COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623281317 652230879 /nfs/dbraw/zinc/23/08/79/652230879.db2.gz RXOVULHVJNHUSO-GFCCVEGCSA-N 1 2 392.253 2.358 20 0 GEADLO C[C@@H]1CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@H](C)C1(F)F ZINC000623492693 652241691 /nfs/dbraw/zinc/24/16/91/652241691.db2.gz GWBVFMXNNFLSEE-IJEWVQPXSA-N 1 2 377.501 2.127 20 0 GEADLO COc1ccccc1CCNC(=O)C[NH2+]Cc1ncc(Br)cc1F ZINC000623512682 652244155 /nfs/dbraw/zinc/24/41/55/652244155.db2.gz QODLPFXZTYJMIS-UHFFFAOYSA-N 1 2 396.260 2.440 20 0 GEADLO CO[C@H]1C[C@H](NC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000623881986 652266275 /nfs/dbraw/zinc/26/62/75/652266275.db2.gz GRWXPDMNLISVGY-HDJSIYSDSA-N 1 2 381.274 2.424 20 0 GEADLO O=C(CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)NCC(F)(F)F ZINC000624330931 652282098 /nfs/dbraw/zinc/28/20/98/652282098.db2.gz JCMDMBLPTGBRHS-CYBMUJFWSA-N 1 2 377.794 2.099 20 0 GEADLO O=C(CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)NCC(F)(F)F ZINC000624330931 652282102 /nfs/dbraw/zinc/28/21/02/652282102.db2.gz JCMDMBLPTGBRHS-CYBMUJFWSA-N 1 2 377.794 2.099 20 0 GEADLO CCc1ncsc1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000750204858 652287022 /nfs/dbraw/zinc/28/70/22/652287022.db2.gz YIQFDJVHBPDGHR-UHFFFAOYSA-N 1 2 379.507 2.268 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000750621435 652301818 /nfs/dbraw/zinc/30/18/18/652301818.db2.gz GHJAMFWXRBSMNN-JPQMIFPKSA-N 1 2 379.404 2.156 20 0 GEADLO C[N@H+](Cc1nc2ccc(Br)cc2o1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000579070284 652315002 /nfs/dbraw/zinc/31/50/02/652315002.db2.gz YGMQETXZYRJZFN-LLVKDONJSA-N 1 2 388.287 2.056 20 0 GEADLO C[N@@H+](Cc1nc2ccc(Br)cc2o1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000579070284 652315009 /nfs/dbraw/zinc/31/50/09/652315009.db2.gz YGMQETXZYRJZFN-LLVKDONJSA-N 1 2 388.287 2.056 20 0 GEADLO C[C@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)[C@H]1OCCc2sccc21 ZINC000579189353 652323163 /nfs/dbraw/zinc/32/31/63/652323163.db2.gz DICRUFPSBJYYRF-APPDUMDISA-N 1 2 377.491 2.362 20 0 GEADLO O=S(=O)(CC[NH+]1CCC(c2nnc[nH]2)CC1)c1cccc(Br)c1 ZINC000751500179 652358058 /nfs/dbraw/zinc/35/80/58/652358058.db2.gz RQUHMEWPKDUVSO-UHFFFAOYSA-N 1 2 399.314 2.221 20 0 GEADLO Brc1nc(Br)n(CN2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000751594710 652360822 /nfs/dbraw/zinc/36/08/22/652360822.db2.gz NBNXLEYAZCRXFR-SECBINFHSA-N 1 2 390.083 2.294 20 0 GEADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000580073545 652366033 /nfs/dbraw/zinc/36/60/33/652366033.db2.gz NMQNQOLZAHJGMC-LBPRGKRZSA-N 1 2 385.686 2.425 20 0 GEADLO CO[C@H]1CC[N@H+](CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000751945357 652372504 /nfs/dbraw/zinc/37/25/04/652372504.db2.gz MIGRDHCWFCFNDT-YOEHRIQHSA-N 1 2 381.270 2.144 20 0 GEADLO CO[C@H]1CC[N@@H+](CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000751945357 652372508 /nfs/dbraw/zinc/37/25/08/652372508.db2.gz MIGRDHCWFCFNDT-YOEHRIQHSA-N 1 2 381.270 2.144 20 0 GEADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2coc(S(N)(=O)=O)c2)CC1 ZINC000659958830 652374487 /nfs/dbraw/zinc/37/44/87/652374487.db2.gz APINKWRRXYXZJG-ZDUSSCGKSA-N 1 2 383.901 2.459 20 0 GEADLO C[C@@H](CC(F)(F)F)CS(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000660036863 652376531 /nfs/dbraw/zinc/37/65/31/652376531.db2.gz WLXSTVQZLJACJA-BFHYXJOUSA-N 1 2 384.464 2.138 20 0 GEADLO NS(=O)(=O)NC1CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000626033102 652380084 /nfs/dbraw/zinc/38/00/84/652380084.db2.gz HJAPWHSEBFUGCA-UHFFFAOYSA-N 1 2 386.930 2.221 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc(Br)cc1 ZINC000626183409 652384228 /nfs/dbraw/zinc/38/42/28/652384228.db2.gz FSQLAOKNCSAECX-KRWDZBQOSA-N 1 2 398.301 2.186 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc(Br)cc1 ZINC000626183409 652384230 /nfs/dbraw/zinc/38/42/30/652384230.db2.gz FSQLAOKNCSAECX-KRWDZBQOSA-N 1 2 398.301 2.186 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cccc(Br)c1 ZINC000626183889 652384615 /nfs/dbraw/zinc/38/46/15/652384615.db2.gz XGXXVKOZDXWYBU-KRWDZBQOSA-N 1 2 398.301 2.186 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cccc(Br)c1 ZINC000626183889 652384618 /nfs/dbraw/zinc/38/46/18/652384618.db2.gz XGXXVKOZDXWYBU-KRWDZBQOSA-N 1 2 398.301 2.186 20 0 GEADLO Cc1csc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)c1 ZINC000660125418 652388540 /nfs/dbraw/zinc/38/85/40/652388540.db2.gz YMVQAIILTDPPDX-QGZVFWFLSA-N 1 2 379.551 2.151 20 0 GEADLO Cc1csc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)c1 ZINC000660125418 652388545 /nfs/dbraw/zinc/38/85/45/652388545.db2.gz YMVQAIILTDPPDX-QGZVFWFLSA-N 1 2 379.551 2.151 20 0 GEADLO CN(C)c1cc(Cl)cc(Cl)c1CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000580707901 652389223 /nfs/dbraw/zinc/38/92/23/652389223.db2.gz XYBMAIDXULUHDY-AWEZNQCLSA-N 1 2 376.328 2.184 20 0 GEADLO C[C@@H]1C[N@@H+](CCN2CCNC(=O)[C@H]2c2ccccc2Br)C[C@H](C)O1 ZINC000660162070 652391914 /nfs/dbraw/zinc/39/19/14/652391914.db2.gz RSZZNDITQQTROO-JKIFEVAISA-N 1 2 396.329 2.031 20 0 GEADLO C[C@@H]1C[N@H+](CCN2CCNC(=O)[C@H]2c2ccccc2Br)C[C@H](C)O1 ZINC000660162070 652391918 /nfs/dbraw/zinc/39/19/18/652391918.db2.gz RSZZNDITQQTROO-JKIFEVAISA-N 1 2 396.329 2.031 20 0 GEADLO O=C(NCCc1ccc(Br)s1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660266776 652396969 /nfs/dbraw/zinc/39/69/69/652396969.db2.gz SPLFRYZMPKWNMG-LBPRGKRZSA-N 1 2 388.331 2.169 20 0 GEADLO CC[N@H+](CCO)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000753527727 652410196 /nfs/dbraw/zinc/41/01/96/652410196.db2.gz SNUVSMCTZPJGEB-UHFFFAOYSA-N 1 2 396.372 2.400 20 0 GEADLO CC[N@@H+](CCO)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000753527727 652410198 /nfs/dbraw/zinc/41/01/98/652410198.db2.gz SNUVSMCTZPJGEB-UHFFFAOYSA-N 1 2 396.372 2.400 20 0 GEADLO C[C@@H](OC[C@@H](O)C[NH+]1CCN(c2ncns2)CC1)c1ccc(Cl)cc1 ZINC000660709816 652411552 /nfs/dbraw/zinc/41/15/52/652411552.db2.gz AAGCENQTNQYZSX-CJNGLKHVSA-N 1 2 382.917 2.452 20 0 GEADLO COc1cc(Br)ccc1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661047949 652417848 /nfs/dbraw/zinc/41/78/48/652417848.db2.gz ZYNSYDVXTZZTRG-OAHLLOKOSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@@H]1C[NH+](CCn2c(=O)onc2-c2cccc(Br)c2)C[C@@H](C)O1 ZINC000581618858 652418982 /nfs/dbraw/zinc/41/89/82/652418982.db2.gz RBHYOOPTCLPILT-VXGBXAGGSA-N 1 2 382.258 2.375 20 0 GEADLO C[C@H]1C[NH+](CCn2c(=O)onc2-c2cccc(Br)c2)C[C@H](C)O1 ZINC000581618856 652418996 /nfs/dbraw/zinc/41/89/96/652418996.db2.gz RBHYOOPTCLPILT-RYUDHWBXSA-N 1 2 382.258 2.375 20 0 GEADLO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000581748266 652424609 /nfs/dbraw/zinc/42/46/09/652424609.db2.gz SFYRYXCHLADRMX-CYBMUJFWSA-N 1 2 381.885 2.079 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccc(F)cc1Br ZINC000581928766 652427877 /nfs/dbraw/zinc/42/78/77/652427877.db2.gz GXLRHOUHKXKDDO-OKILXGFUSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccc(F)cc1Br ZINC000581928766 652427880 /nfs/dbraw/zinc/42/78/80/652427880.db2.gz GXLRHOUHKXKDDO-OKILXGFUSA-N 1 2 386.265 2.251 20 0 GEADLO NC(=O)C1([NH2+]Cc2coc(-c3ccc(Br)cc3)n2)CCOCC1 ZINC000661594192 652434059 /nfs/dbraw/zinc/43/40/59/652434059.db2.gz PLSCPTFEBAILBY-UHFFFAOYSA-N 1 2 380.242 2.228 20 0 GEADLO C[C@H]1C[NH+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@H](C)C1O ZINC000661628809 652435630 /nfs/dbraw/zinc/43/56/30/652435630.db2.gz VYYZCCVNPAXAIH-RYUDHWBXSA-N 1 2 376.316 2.172 20 0 GEADLO C[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCN1S(C)(=O)=O ZINC000661684078 652437971 /nfs/dbraw/zinc/43/79/71/652437971.db2.gz VJTYAXIFYLYGDM-LLVKDONJSA-N 1 2 394.324 2.288 20 0 GEADLO C[C@@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCN1S(C)(=O)=O ZINC000661684078 652437974 /nfs/dbraw/zinc/43/79/74/652437974.db2.gz VJTYAXIFYLYGDM-LLVKDONJSA-N 1 2 394.324 2.288 20 0 GEADLO CC(C)NC(=O)CNC(=S)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754691673 652442901 /nfs/dbraw/zinc/44/29/01/652442901.db2.gz ISTQJEYWXJCLRQ-ZBFHGGJFSA-N 1 2 386.924 2.213 20 0 GEADLO CC(C)NC(=O)CNC(=S)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754691673 652442903 /nfs/dbraw/zinc/44/29/03/652442903.db2.gz ISTQJEYWXJCLRQ-ZBFHGGJFSA-N 1 2 386.924 2.213 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662012241 652445011 /nfs/dbraw/zinc/44/50/11/652445011.db2.gz DVAPMYJXZCOLCO-DOMZBBRYSA-N 1 2 397.317 2.464 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662012241 652445014 /nfs/dbraw/zinc/44/50/14/652445014.db2.gz DVAPMYJXZCOLCO-DOMZBBRYSA-N 1 2 397.317 2.464 20 0 GEADLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@]1(C)CO ZINC000662140230 652448677 /nfs/dbraw/zinc/44/86/77/652448677.db2.gz URIJANOJAISGER-IUODEOHRSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@]1(C)CO ZINC000662140230 652448678 /nfs/dbraw/zinc/44/86/78/652448678.db2.gz URIJANOJAISGER-IUODEOHRSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000582540510 652454633 /nfs/dbraw/zinc/45/46/33/652454633.db2.gz PKHLBPHGAHFTAI-RISCZKNCSA-N 1 2 380.495 2.271 20 0 GEADLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(I)c1O ZINC000755389471 652464017 /nfs/dbraw/zinc/46/40/17/652464017.db2.gz QRTZMYWEPXXAEI-CYBMUJFWSA-N 1 2 388.249 2.409 20 0 GEADLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(I)c1O ZINC000755389471 652464020 /nfs/dbraw/zinc/46/40/20/652464020.db2.gz QRTZMYWEPXXAEI-CYBMUJFWSA-N 1 2 388.249 2.409 20 0 GEADLO CN(C)c1cc(COC(=O)CN(C)C(=O)c2ccc(Br)o2)cc[nH+]1 ZINC000755885069 652479911 /nfs/dbraw/zinc/47/99/11/652479911.db2.gz MQVGFOWVDXBGCL-UHFFFAOYSA-N 1 2 396.241 2.319 20 0 GEADLO COC(=O)c1sc2ccccc2c1CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000755959797 652482483 /nfs/dbraw/zinc/48/24/83/652482483.db2.gz VDKPEJANBUDMEU-VWLOTQADSA-N 1 2 380.535 2.184 20 0 GEADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(CCO)Cc1ccc(Br)s1 ZINC000583599830 652491141 /nfs/dbraw/zinc/49/11/41/652491141.db2.gz JCHFAWVMWVHERH-LLVKDONJSA-N 1 2 384.299 2.291 20 0 GEADLO OCC[N@H+](Cc1nnnn1-c1ccccc1Br)[C@@H]1CCCSC1 ZINC000583972076 652504250 /nfs/dbraw/zinc/50/42/50/652504250.db2.gz AWAJZWQBNNKHTM-GFCCVEGCSA-N 1 2 398.330 2.115 20 0 GEADLO OCC[N@@H+](Cc1nnnn1-c1ccccc1Br)[C@@H]1CCCSC1 ZINC000583972076 652504252 /nfs/dbraw/zinc/50/42/52/652504252.db2.gz AWAJZWQBNNKHTM-GFCCVEGCSA-N 1 2 398.330 2.115 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1)c1ccsc1 ZINC000663622225 652507016 /nfs/dbraw/zinc/50/70/16/652507016.db2.gz XSHYXIUFGXRNCB-CWRNSKLLSA-N 1 2 387.571 2.396 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000663638385 652507395 /nfs/dbraw/zinc/50/73/95/652507395.db2.gz NKQYCOFQLBHMHT-IUODEOHRSA-N 1 2 390.311 2.389 20 0 GEADLO Cc1nc(N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c(Br)c(C)[nH+]1 ZINC000663672894 652507966 /nfs/dbraw/zinc/50/79/66/652507966.db2.gz DIZPLZZXLSFORI-PRHODGIISA-N 1 2 379.262 2.195 20 0 GEADLO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000584386730 652519285 /nfs/dbraw/zinc/51/92/85/652519285.db2.gz ZTPUSMCBDVJXSB-RISCZKNCSA-N 1 2 397.248 2.132 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000757762089 652522282 /nfs/dbraw/zinc/52/22/82/652522282.db2.gz DEWKJOMQTQWZGW-VWLOTQADSA-N 1 2 382.423 2.263 20 0 GEADLO O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CC[NH+](CCc2cccs2)CC1 ZINC000631790481 652533882 /nfs/dbraw/zinc/53/38/82/652533882.db2.gz RWYJJUUAHCXAAL-UHFFFAOYSA-N 1 2 394.444 2.039 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000586758358 652539859 /nfs/dbraw/zinc/53/98/59/652539859.db2.gz HRVBIWZKFBNXRI-SNVBAGLBSA-N 1 2 381.281 2.153 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000586758358 652539860 /nfs/dbraw/zinc/53/98/60/652539860.db2.gz HRVBIWZKFBNXRI-SNVBAGLBSA-N 1 2 381.281 2.153 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000666010905 652566006 /nfs/dbraw/zinc/56/60/06/652566006.db2.gz DOESEOVITZZELN-UHFFFAOYSA-N 1 2 393.285 2.233 20 0 GEADLO COc1cccc(S(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000632680254 652574317 /nfs/dbraw/zinc/57/43/17/652574317.db2.gz GWBARBLKBOREPU-UHFFFAOYSA-N 1 2 379.507 2.122 20 0 GEADLO COC(=O)[C@]1(C)CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000759754789 652585169 /nfs/dbraw/zinc/58/51/69/652585169.db2.gz JGFRKJJDKFQMMT-CVEARBPZSA-N 1 2 385.873 2.011 20 0 GEADLO COC(=O)[C@]1(C)CC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000759754789 652585174 /nfs/dbraw/zinc/58/51/74/652585174.db2.gz JGFRKJJDKFQMMT-CVEARBPZSA-N 1 2 385.873 2.011 20 0 GEADLO CNc1cc2c(nn1)CC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000592116854 652587781 /nfs/dbraw/zinc/58/77/81/652587781.db2.gz JQKCVBCCACUXGC-GFCCVEGCSA-N 1 2 383.279 2.623 20 0 GEADLO CNc1cc2c(nn1)CC[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000592116854 652587785 /nfs/dbraw/zinc/58/77/85/652587785.db2.gz JQKCVBCCACUXGC-GFCCVEGCSA-N 1 2 383.279 2.623 20 0 GEADLO CCS(=O)(=O)C1(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC000667018905 652589909 /nfs/dbraw/zinc/58/99/09/652589909.db2.gz HOTPOUHOTJVIQW-OAHLLOKOSA-N 1 2 387.933 2.209 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000592193515 652590070 /nfs/dbraw/zinc/59/00/70/652590070.db2.gz AWAAJVAMQZGBFP-GXTWGEPZSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000592193515 652590071 /nfs/dbraw/zinc/59/00/71/652590071.db2.gz AWAAJVAMQZGBFP-GXTWGEPZSA-N 1 2 395.253 2.460 20 0 GEADLO Cc1ncsc1CCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633278297 652591221 /nfs/dbraw/zinc/59/12/21/652591221.db2.gz XMBMGMCRPRIYMU-UHFFFAOYSA-N 1 2 377.539 2.442 20 0 GEADLO Cc1csc([C@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C(F)(F)F)n1 ZINC000667159761 652594467 /nfs/dbraw/zinc/59/44/67/652594467.db2.gz IIVDGGRMQDAERM-RYUDHWBXSA-N 1 2 378.420 2.171 20 0 GEADLO C[C@H](Cc1ccccc1Br)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000760167640 652597105 /nfs/dbraw/zinc/59/71/05/652597105.db2.gz WTBRVSBWLRYILN-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](Cc1ccccc1Br)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000760167640 652597111 /nfs/dbraw/zinc/59/71/11/652597111.db2.gz WTBRVSBWLRYILN-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](Cc1ccccc1Br)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000760167648 652597305 /nfs/dbraw/zinc/59/73/05/652597305.db2.gz WTBRVSBWLRYILN-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H](Cc1ccccc1Br)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000760167648 652597308 /nfs/dbraw/zinc/59/73/08/652597308.db2.gz WTBRVSBWLRYILN-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO COCCC[N@H+](Cc1cncc(Br)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000667486375 652607782 /nfs/dbraw/zinc/60/77/82/652607782.db2.gz UDZVWDUSQUXIDF-CQSZACIVSA-N 1 2 391.331 2.178 20 0 GEADLO COCCC[N@@H+](Cc1cncc(Br)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000667486375 652607784 /nfs/dbraw/zinc/60/77/84/652607784.db2.gz UDZVWDUSQUXIDF-CQSZACIVSA-N 1 2 391.331 2.178 20 0 GEADLO CCCS(=O)(=O)CC(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000633776532 652613401 /nfs/dbraw/zinc/61/34/01/652613401.db2.gz VXYLRVDECUICOL-AWEZNQCLSA-N 1 2 380.432 2.249 20 0 GEADLO C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000667990731 652623978 /nfs/dbraw/zinc/62/39/78/652623978.db2.gz VFTYVBZVDOXMGG-CYBMUJFWSA-N 1 2 394.107 2.073 20 0 GEADLO C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000667990731 652623980 /nfs/dbraw/zinc/62/39/80/652623980.db2.gz VFTYVBZVDOXMGG-CYBMUJFWSA-N 1 2 394.107 2.073 20 0 GEADLO CN1C(=O)N(C[C@@H]2CN(C)CC[N@@H+]2C)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000761277680 652640790 /nfs/dbraw/zinc/64/07/90/652640790.db2.gz IKFVCEDGRMIMLA-WFASDCNBSA-N 1 2 385.295 2.174 20 0 GEADLO CN1C(=O)N(C[C@@H]2CN(C)CC[N@H+]2C)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000761277680 652640791 /nfs/dbraw/zinc/64/07/91/652640791.db2.gz IKFVCEDGRMIMLA-WFASDCNBSA-N 1 2 385.295 2.174 20 0 GEADLO CCOCCN1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634645445 652646941 /nfs/dbraw/zinc/64/69/41/652646941.db2.gz NDSGIKTVCMNVMH-INIZCTEOSA-N 1 2 377.312 2.387 20 0 GEADLO COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000634661283 652651777 /nfs/dbraw/zinc/65/17/77/652651777.db2.gz ODOFVEJGSBFJNB-LLVKDONJSA-N 1 2 375.372 2.204 20 0 GEADLO Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)s1 ZINC000634661697 652652594 /nfs/dbraw/zinc/65/25/94/652652594.db2.gz ZYCDZGNFSUBWLS-SECBINFHSA-N 1 2 376.301 2.309 20 0 GEADLO COc1cc(C[N@@H+]2CCC(CO)(CO)C2)cc(Br)c1OC(F)F ZINC000668665775 652657578 /nfs/dbraw/zinc/65/75/78/652657578.db2.gz CKXGSEPZYOAHOJ-UHFFFAOYSA-N 1 2 396.228 2.236 20 0 GEADLO COc1cc(C[N@H+]2CCC(CO)(CO)C2)cc(Br)c1OC(F)F ZINC000668665775 652657581 /nfs/dbraw/zinc/65/75/81/652657581.db2.gz CKXGSEPZYOAHOJ-UHFFFAOYSA-N 1 2 396.228 2.236 20 0 GEADLO C[C@@]1(c2cccc(Br)c2)NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000762189814 652679919 /nfs/dbraw/zinc/67/99/19/652679919.db2.gz STLRCYXNXUAOHJ-GUYCJALGSA-N 1 2 389.253 2.428 20 0 GEADLO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1nnnn1C1CC1 ZINC000762362543 652687276 /nfs/dbraw/zinc/68/72/76/652687276.db2.gz DDGFJYNFFKGSFK-QMTHXVAHSA-N 1 2 391.273 2.227 20 0 GEADLO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1nnnn1C1CC1 ZINC000762362541 652687422 /nfs/dbraw/zinc/68/74/22/652687422.db2.gz DDGFJYNFFKGSFK-IINYFYTJSA-N 1 2 391.273 2.227 20 0 GEADLO CN(CCCNc1cc[nH+]c2c(Br)ccc(F)c12)S(C)(=O)=O ZINC000669649053 652711121 /nfs/dbraw/zinc/71/11/21/652711121.db2.gz UKSKURSTWSVQMG-UHFFFAOYSA-N 1 2 390.278 2.252 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cs1 ZINC000595391998 652719499 /nfs/dbraw/zinc/71/94/99/652719499.db2.gz DTZLIEMPATYYTP-CQSZACIVSA-N 1 2 380.491 2.088 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cs1 ZINC000595391998 652719501 /nfs/dbraw/zinc/71/95/01/652719501.db2.gz DTZLIEMPATYYTP-CQSZACIVSA-N 1 2 380.491 2.088 20 0 GEADLO CC(C)CNC(=O)[C@@H]1CSCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635460316 652731478 /nfs/dbraw/zinc/73/14/78/652731478.db2.gz JTJOOPPCUAKGHK-NWDGAFQWSA-N 1 2 378.420 2.050 20 0 GEADLO CCCN(C)C(=O)[C@@H]1CSCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635462899 652732185 /nfs/dbraw/zinc/73/21/85/652732185.db2.gz YODVVQRIPFVQNP-NWDGAFQWSA-N 1 2 378.420 2.147 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccccc1Br)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635854523 652759939 /nfs/dbraw/zinc/75/99/39/652759939.db2.gz VRVKYZZRHRWWOQ-IACUBPJLSA-N 1 2 378.270 2.243 20 0 GEADLO O=C(NC[C@@H](CO)Cc1ccccc1Br)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635854523 652759943 /nfs/dbraw/zinc/75/99/43/652759943.db2.gz VRVKYZZRHRWWOQ-IACUBPJLSA-N 1 2 378.270 2.243 20 0 GEADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000635949169 652767419 /nfs/dbraw/zinc/76/74/19/652767419.db2.gz BCLHUFUHYFOCAR-IACUBPJLSA-N 1 2 377.242 2.351 20 0 GEADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000635949169 652767432 /nfs/dbraw/zinc/76/74/32/652767432.db2.gz BCLHUFUHYFOCAR-IACUBPJLSA-N 1 2 377.242 2.351 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2I)[C@@H](C)CO1 ZINC000597998618 652796485 /nfs/dbraw/zinc/79/64/85/652796485.db2.gz POPRDHZIHAHVIN-NWDGAFQWSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2I)[C@@H](C)CO1 ZINC000597998618 652796488 /nfs/dbraw/zinc/79/64/88/652796488.db2.gz POPRDHZIHAHVIN-NWDGAFQWSA-N 1 2 388.249 2.130 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1Br ZINC000598184740 652803076 /nfs/dbraw/zinc/80/30/76/652803076.db2.gz NSWHFGHXJAGIKW-ABAIWWIYSA-N 1 2 392.253 2.239 20 0 GEADLO Cc1ccc(NC(=O)c2cc(Br)c(C)n(C)c2=O)c(N(C)C)[nH+]1 ZINC000764858228 652813966 /nfs/dbraw/zinc/81/39/66/652813966.db2.gz QJEGIJVMCCQXEF-UHFFFAOYSA-N 1 2 379.258 2.478 20 0 GEADLO C[C@@H](CS(C)(=O)=O)NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000636783530 652822960 /nfs/dbraw/zinc/82/29/60/652822960.db2.gz DBMBEOPISYKJMX-HZMBPMFUSA-N 1 2 396.340 2.328 20 0 GEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000672151877 652828146 /nfs/dbraw/zinc/82/81/46/652828146.db2.gz CQAGCJRPTMOHOZ-NSHDSACASA-N 1 2 387.237 2.232 20 0 GEADLO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672152748 652828390 /nfs/dbraw/zinc/82/83/90/652828390.db2.gz MMLLKRABGSMQPN-AWEZNQCLSA-N 1 2 381.885 2.222 20 0 GEADLO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672153483 652828396 /nfs/dbraw/zinc/82/83/96/652828396.db2.gz WPONISDYZLTYPO-GFCCVEGCSA-N 1 2 392.253 2.091 20 0 GEADLO COc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c(I)c1 ZINC000598946298 652841795 /nfs/dbraw/zinc/84/17/95/652841795.db2.gz GELCSTLOSWFJTQ-JTQLQIEISA-N 1 2 397.216 2.241 20 0 GEADLO O=C(CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000637176322 652844927 /nfs/dbraw/zinc/84/49/27/652844927.db2.gz VOBLFXMGLOQABJ-ZDUSSCGKSA-N 1 2 382.251 2.443 20 0 GEADLO O=Cc1cc(Cl)c(OS(=O)(=O)CCC[NH+]2CCOCC2)cc1Cl ZINC000766064291 652864352 /nfs/dbraw/zinc/86/43/52/652864352.db2.gz KODNPZBYULPWOI-UHFFFAOYSA-N 1 2 382.265 2.237 20 0 GEADLO O=C(CNC(=O)c1cccs1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000673470642 652864869 /nfs/dbraw/zinc/86/48/69/652864869.db2.gz BVKJGVGANORSAN-UHFFFAOYSA-N 1 2 378.523 2.099 20 0 GEADLO COC(=O)CC[N@H+](CN1C(=O)c2ccc(Br)cc2C1=O)C(C)C ZINC000766089507 652866477 /nfs/dbraw/zinc/86/64/77/652866477.db2.gz AJZRRXJCVHNWTJ-UHFFFAOYSA-N 1 2 383.242 2.276 20 0 GEADLO COC(=O)CC[N@@H+](CN1C(=O)c2ccc(Br)cc2C1=O)C(C)C ZINC000766089507 652866479 /nfs/dbraw/zinc/86/64/79/652866479.db2.gz AJZRRXJCVHNWTJ-UHFFFAOYSA-N 1 2 383.242 2.276 20 0 GEADLO COc1ccc(OC2CC[NH+](Cc3ccc(S(N)(=O)=O)s3)CC2)cc1 ZINC000637915777 652877829 /nfs/dbraw/zinc/87/78/29/652877829.db2.gz NKHBUHRUDXZWKP-UHFFFAOYSA-N 1 2 382.507 2.448 20 0 GEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OC[C@H]1CC1(Cl)Cl ZINC000766385934 652878081 /nfs/dbraw/zinc/87/80/81/652878081.db2.gz BPJCRCKMAUOEFE-CYBMUJFWSA-N 1 2 386.279 2.247 20 0 GEADLO Cc1cc[nH+]c(N2CCN(Cc3ccc(Cl)c(S(N)(=O)=O)c3)CC2)c1 ZINC000637951757 652878731 /nfs/dbraw/zinc/87/87/31/652878731.db2.gz RDHCPEXYDJKRFD-UHFFFAOYSA-N 1 2 380.901 2.013 20 0 GEADLO COc1cc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c(F)cc1Br ZINC000638063327 652883393 /nfs/dbraw/zinc/88/33/93/652883393.db2.gz DCGOZDBRMAJVPD-JTQLQIEISA-N 1 2 395.294 2.097 20 0 GEADLO COc1cc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c(F)cc1Br ZINC000638063327 652883397 /nfs/dbraw/zinc/88/33/97/652883397.db2.gz DCGOZDBRMAJVPD-JTQLQIEISA-N 1 2 395.294 2.097 20 0 GEADLO C[C@H](C(=O)Nc1cc(Cl)c(Br)cc1F)N1CC[NH2+]CC1=O ZINC000638476779 652890688 /nfs/dbraw/zinc/89/06/88/652890688.db2.gz OVUQXDPXAIDBCP-SSDOTTSWSA-N 1 2 378.629 2.000 20 0 GEADLO CC(C)NS(=O)(=O)CC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638567905 652895464 /nfs/dbraw/zinc/89/54/64/652895464.db2.gz IXHVIFZTBMYULH-UHFFFAOYSA-N 1 2 376.276 2.008 20 0 GEADLO C[C@H](CNC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000674425263 652897471 /nfs/dbraw/zinc/89/74/71/652897471.db2.gz XTKGUVGPJCFBKD-GMTAPVOTSA-N 1 2 377.329 2.089 20 0 GEADLO C[C@@H]1CN(c2ccc(NCc3ccc(S(N)(=O)=O)s3)c[nH+]2)C[C@@H](C)O1 ZINC000638891244 652910665 /nfs/dbraw/zinc/91/06/65/652910665.db2.gz GEADJTMZLNCFAU-VXGBXAGGSA-N 1 2 382.511 2.016 20 0 GEADLO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675280090 652922043 /nfs/dbraw/zinc/92/20/43/652922043.db2.gz CTOJRWXLICNFQC-CQSZACIVSA-N 1 2 383.279 2.117 20 0 GEADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCCc2sccc2C1 ZINC000675294928 652922390 /nfs/dbraw/zinc/92/23/90/652922390.db2.gz XSJBXTYNBKWYRM-UHFFFAOYSA-N 1 2 379.507 2.091 20 0 GEADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCCc2sccc2C1 ZINC000675294928 652922398 /nfs/dbraw/zinc/92/23/98/652922398.db2.gz XSJBXTYNBKWYRM-UHFFFAOYSA-N 1 2 379.507 2.091 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)o1 ZINC000639147028 652923036 /nfs/dbraw/zinc/92/30/36/652923036.db2.gz OWAIFMORMDWQRT-CQSZACIVSA-N 1 2 386.271 2.325 20 0 GEADLO NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)ccc1Cl ZINC000639162836 652924399 /nfs/dbraw/zinc/92/43/99/652924399.db2.gz RXAPUOLPFRWNBO-CYBMUJFWSA-N 1 2 386.823 2.267 20 0 GEADLO NS(=O)(=O)c1cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)ccc1Cl ZINC000639162836 652924404 /nfs/dbraw/zinc/92/44/04/652924404.db2.gz RXAPUOLPFRWNBO-CYBMUJFWSA-N 1 2 386.823 2.267 20 0 GEADLO CC(C)OCCOC1CC[NH+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000639239148 652927513 /nfs/dbraw/zinc/92/75/13/652927513.db2.gz GMHGHTQOSKFHED-UHFFFAOYSA-N 1 2 390.933 2.393 20 0 GEADLO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)OCc1c[nH+]cn1C ZINC000767460545 652927711 /nfs/dbraw/zinc/92/77/11/652927711.db2.gz HBSNVQWXJXLPMD-UHFFFAOYSA-N 1 2 387.255 2.252 20 0 GEADLO CC(C)O[C@@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639291450 652930710 /nfs/dbraw/zinc/93/07/10/652930710.db2.gz ZHMGYBGCWNAFRO-CYBMUJFWSA-N 1 2 391.331 2.486 20 0 GEADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639291450 652930714 /nfs/dbraw/zinc/93/07/14/652930714.db2.gz ZHMGYBGCWNAFRO-CYBMUJFWSA-N 1 2 391.331 2.486 20 0 GEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc2c(c(Br)c1)OCO2 ZINC000767517495 652931569 /nfs/dbraw/zinc/93/15/69/652931569.db2.gz WILMMDNOCWAAHI-TXEJJXNPSA-N 1 2 384.226 2.198 20 0 GEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc2c(c(Br)c1)OCO2 ZINC000767517495 652931573 /nfs/dbraw/zinc/93/15/73/652931573.db2.gz WILMMDNOCWAAHI-TXEJJXNPSA-N 1 2 384.226 2.198 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)cc1Cl ZINC000639340640 652932832 /nfs/dbraw/zinc/93/28/32/652932832.db2.gz XWEAQHXDDKGVQO-OAHLLOKOSA-N 1 2 381.885 2.174 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)cc1Cl ZINC000639340640 652932841 /nfs/dbraw/zinc/93/28/41/652932841.db2.gz XWEAQHXDDKGVQO-OAHLLOKOSA-N 1 2 381.885 2.174 20 0 GEADLO COc1ccc(Br)cc1CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767556675 652933163 /nfs/dbraw/zinc/93/31/63/652933163.db2.gz UUESXSBNTZUCIZ-GASCZTMLSA-N 1 2 384.270 2.407 20 0 GEADLO COc1ccc(Br)cc1CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767556675 652933169 /nfs/dbraw/zinc/93/31/69/652933169.db2.gz UUESXSBNTZUCIZ-GASCZTMLSA-N 1 2 384.270 2.407 20 0 GEADLO Fc1cncc(Br)c1CN1CC[NH+](CCc2cnccn2)CC1 ZINC000639392731 652936090 /nfs/dbraw/zinc/93/60/90/652936090.db2.gz XRBMQRLXDYJKDF-UHFFFAOYSA-N 1 2 380.265 2.134 20 0 GEADLO CN(C1CC[NH+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1)S(C)(=O)=O ZINC000639536752 652941013 /nfs/dbraw/zinc/94/10/13/652941013.db2.gz JMPYSFIQHQZOPL-BETUJISGSA-N 1 2 384.464 2.280 20 0 GEADLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H]1CCc2ncnn21 ZINC000639619953 652944284 /nfs/dbraw/zinc/94/42/84/652944284.db2.gz JTAGMGFAAKSWGG-HNNXBMFYSA-N 1 2 388.273 2.241 20 0 GEADLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H]1CCc2ncnn21 ZINC000639619953 652944289 /nfs/dbraw/zinc/94/42/89/652944289.db2.gz JTAGMGFAAKSWGG-HNNXBMFYSA-N 1 2 388.273 2.241 20 0 GEADLO Cc1[nH]nc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1Br ZINC000616006884 652966796 /nfs/dbraw/zinc/96/67/96/652966796.db2.gz LZTGUOBYPFABSE-CYBMUJFWSA-N 1 2 379.258 2.320 20 0 GEADLO Cc1[nH]nc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Br ZINC000616006884 652966797 /nfs/dbraw/zinc/96/67/97/652966797.db2.gz LZTGUOBYPFABSE-CYBMUJFWSA-N 1 2 379.258 2.320 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640055899 653094726 /nfs/dbraw/zinc/09/47/26/653094726.db2.gz ZLXGXUCGPGWDDL-WCQYABFASA-N 1 2 380.794 2.067 20 0 GEADLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640055899 653094729 /nfs/dbraw/zinc/09/47/29/653094729.db2.gz ZLXGXUCGPGWDDL-WCQYABFASA-N 1 2 380.794 2.067 20 0 GEADLO Brc1ccccc1-n1nnnc1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676478342 653097183 /nfs/dbraw/zinc/09/71/83/653097183.db2.gz SIXVKFNDPFLXPN-ZDUSSCGKSA-N 1 2 388.273 2.458 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)Nc2cscc2Br)CC1 ZINC000640184423 653102827 /nfs/dbraw/zinc/10/28/27/653102827.db2.gz BJQUFABNEGTBGA-UHFFFAOYSA-N 1 2 392.319 2.322 20 0 GEADLO Cn1cc(Br)c(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000640308180 653113355 /nfs/dbraw/zinc/11/33/55/653113355.db2.gz LUAADKQFEFTETI-UHFFFAOYSA-N 1 2 384.303 2.594 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640385631 653124671 /nfs/dbraw/zinc/12/46/71/653124671.db2.gz SXUFEFVSKBVSSX-UHFFFAOYSA-N 1 2 384.334 2.943 20 0 GEADLO O=C(C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)N1CCOC[C@H]1C1CC1 ZINC000678088558 653126267 /nfs/dbraw/zinc/12/62/67/653126267.db2.gz CCJNRVOMJRHQHF-KRWDZBQOSA-N 1 2 387.307 2.425 20 0 GEADLO O=C(C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1)N1CCOC[C@H]1C1CC1 ZINC000678088558 653126272 /nfs/dbraw/zinc/12/62/72/653126272.db2.gz CCJNRVOMJRHQHF-KRWDZBQOSA-N 1 2 387.307 2.425 20 0 GEADLO Cc1csc(=O)n1CC[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000601775850 653126874 /nfs/dbraw/zinc/12/68/74/653126874.db2.gz UYVWHJVMVOHBTH-KRWDZBQOSA-N 1 2 381.929 2.223 20 0 GEADLO Cc1csc(=O)n1CCN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000601775850 653126878 /nfs/dbraw/zinc/12/68/78/653126878.db2.gz UYVWHJVMVOHBTH-KRWDZBQOSA-N 1 2 381.929 2.223 20 0 GEADLO C[S@](=O)c1cccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601856635 653130028 /nfs/dbraw/zinc/13/00/28/653130028.db2.gz WJVVHGMHODYUBQ-VWLOTQADSA-N 1 2 375.519 2.302 20 0 GEADLO CC(=O)N[C@H](CC(=O)OCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000771872513 653130361 /nfs/dbraw/zinc/13/03/61/653130361.db2.gz BWKGUMCOCDFFHI-OAHLLOKOSA-N 1 2 380.242 2.456 20 0 GEADLO O=C(CCN1C(=O)COc2cc(Br)ccc21)OCCn1cc[nH+]c1 ZINC000771912976 653131826 /nfs/dbraw/zinc/13/18/26/653131826.db2.gz XPTDZOCDCYZTHR-UHFFFAOYSA-N 1 2 394.225 2.005 20 0 GEADLO O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)OCCn1cc[nH+]c1 ZINC000771979888 653135954 /nfs/dbraw/zinc/13/59/54/653135954.db2.gz RWWAGRMNUHSWPD-UHFFFAOYSA-N 1 2 376.356 2.005 20 0 GEADLO O=C(Cn1cc(Cn2cc[nH+]c2)nn1)NCCc1cccc(Cl)c1Cl ZINC000640983257 653148577 /nfs/dbraw/zinc/14/85/77/653148577.db2.gz SKVMKZPKTUDDAJ-UHFFFAOYSA-N 1 2 379.251 2.189 20 0 GEADLO COCC[N@H+](C)Cc1cn(Cc2ccc(OC)c(OC)c2Br)nn1 ZINC000640990410 653149514 /nfs/dbraw/zinc/14/95/14/653149514.db2.gz XHZFWMJBQGSXOK-UHFFFAOYSA-N 1 2 399.289 2.184 20 0 GEADLO COCC[N@@H+](C)Cc1cn(Cc2ccc(OC)c(OC)c2Br)nn1 ZINC000640990410 653149519 /nfs/dbraw/zinc/14/95/19/653149519.db2.gz XHZFWMJBQGSXOK-UHFFFAOYSA-N 1 2 399.289 2.184 20 0 GEADLO Cn1cc(Br)c(Cn2cc(C[NH2+]Cc3ccc(F)cc3)nn2)n1 ZINC000641038440 653151617 /nfs/dbraw/zinc/15/16/17/653151617.db2.gz HUVADQKTBJRZPW-UHFFFAOYSA-N 1 2 379.237 2.251 20 0 GEADLO COCC[N@H+](C)Cc1cn(Cc2cc(Br)cc(F)c2F)nn1 ZINC000641118931 653159190 /nfs/dbraw/zinc/15/91/90/653159190.db2.gz APWXQCMSKLLYQS-UHFFFAOYSA-N 1 2 375.217 2.445 20 0 GEADLO C[C@H]([NH2+]Cc1csc(-c2cnn(C)c2)n1)c1cccc(S(N)(=O)=O)c1 ZINC000679935103 653158983 /nfs/dbraw/zinc/15/89/83/653158983.db2.gz OBMLOSADCRWXCT-NSHDSACASA-N 1 2 377.495 2.042 20 0 GEADLO COCC[N@@H+](C)Cc1cn(Cc2cc(Br)cc(F)c2F)nn1 ZINC000641118931 653159191 /nfs/dbraw/zinc/15/91/91/653159191.db2.gz APWXQCMSKLLYQS-UHFFFAOYSA-N 1 2 375.217 2.445 20 0 GEADLO C[C@H](c1cc(Cl)ccc1Cl)n1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC000641132544 653161389 /nfs/dbraw/zinc/16/13/89/653161389.db2.gz MCFOMENTFLMBFG-ZYHUDNBSSA-N 1 2 389.308 2.471 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn(CCc3cccc(Cl)c3Cl)nn2)C1 ZINC000641138404 653161821 /nfs/dbraw/zinc/16/18/21/653161821.db2.gz OJMMTCWVAVPORU-GFCCVEGCSA-N 1 2 389.308 2.104 20 0 GEADLO COc1nc(Br)ccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000806450927 653163622 /nfs/dbraw/zinc/16/36/22/653163622.db2.gz BULUYTURNANMRB-NWDGAFQWSA-N 1 2 399.289 2.180 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCCc2c[nH+]cn2C)c(Cl)cc1Cl ZINC000772941434 653172533 /nfs/dbraw/zinc/17/25/33/653172533.db2.gz LIZOEVNAMQJWOL-UHFFFAOYSA-N 1 2 392.264 2.035 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)C[C@H](C)O1 ZINC000641294147 653180477 /nfs/dbraw/zinc/18/04/77/653180477.db2.gz GURUBDNNCVINST-LJISPDSOSA-N 1 2 380.501 2.181 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)C[C@H](C)O1 ZINC000641294147 653180483 /nfs/dbraw/zinc/18/04/83/653180483.db2.gz GURUBDNNCVINST-LJISPDSOSA-N 1 2 380.501 2.181 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000807281387 653189005 /nfs/dbraw/zinc/18/90/05/653189005.db2.gz SMZLDFITPNVDRM-IUODEOHRSA-N 1 2 394.269 2.497 20 0 GEADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773314030 653192711 /nfs/dbraw/zinc/19/27/11/653192711.db2.gz SUJXOCIOCKGXAS-VIFPVBQESA-N 1 2 387.205 2.481 20 0 GEADLO COC(=O)C[C@@H]1CCC[N@H+]1Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773314030 653192714 /nfs/dbraw/zinc/19/27/14/653192714.db2.gz SUJXOCIOCKGXAS-VIFPVBQESA-N 1 2 387.205 2.481 20 0 GEADLO COC(=O)c1cc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)on1 ZINC000602638781 653197005 /nfs/dbraw/zinc/19/70/05/653197005.db2.gz WUSMZAZNWABRLV-ZDUSSCGKSA-N 1 2 394.225 2.119 20 0 GEADLO CCOC(=O)c1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)[nH]1 ZINC000602647680 653197573 /nfs/dbraw/zinc/19/75/73/653197573.db2.gz KDLSSIPHYCRLLC-AWEZNQCLSA-N 1 2 380.242 2.270 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000641429925 653204996 /nfs/dbraw/zinc/20/49/96/653204996.db2.gz XTMTZFSDPTVEHM-GFCCVEGCSA-N 1 2 389.308 2.388 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CSc2ccc(Br)cc21 ZINC000641463609 653209730 /nfs/dbraw/zinc/20/97/30/653209730.db2.gz QGHHCXXHXCOARM-LBPRGKRZSA-N 1 2 388.312 2.412 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000641490610 653213038 /nfs/dbraw/zinc/21/30/38/653213038.db2.gz HHWMSGIYMWPPGB-CQSZACIVSA-N 1 2 378.281 2.233 20 0 GEADLO CCN1C(=S)N=NC1CCNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000773953093 653218536 /nfs/dbraw/zinc/21/85/36/653218536.db2.gz BLDMAPYLOABWAT-UHFFFAOYSA-N 1 2 381.933 2.421 20 0 GEADLO CCN1C(=S)N=NC1CCNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000773953093 653218538 /nfs/dbraw/zinc/21/85/38/653218538.db2.gz BLDMAPYLOABWAT-UHFFFAOYSA-N 1 2 381.933 2.421 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCc1cc(Cl)ccc1Br ZINC000641549215 653220792 /nfs/dbraw/zinc/22/07/92/653220792.db2.gz SMZLRBKRANZWCS-UHFFFAOYSA-N 1 2 378.679 2.419 20 0 GEADLO COC(=O)c1cc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c(C)cc1Br ZINC000603012026 653220905 /nfs/dbraw/zinc/22/09/05/653220905.db2.gz YWYYFKPIKQBDKK-SNVBAGLBSA-N 1 2 393.241 2.487 20 0 GEADLO COC(=O)c1cc(Br)cc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1C ZINC000603040392 653223261 /nfs/dbraw/zinc/22/32/61/653223261.db2.gz WNHVYVIUWNELMP-LLVKDONJSA-N 1 2 393.241 2.487 20 0 GEADLO O=C(CCCn1cc[nH+]c1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000683258236 653233024 /nfs/dbraw/zinc/23/30/24/653233024.db2.gz XSDRBOUUPRFNLI-OAHLLOKOSA-N 1 2 380.286 2.393 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000808757182 653234604 /nfs/dbraw/zinc/23/46/04/653234604.db2.gz FZXCJLWIJZJVBV-SMDDNHRTSA-N 1 2 386.341 2.259 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000808757182 653234606 /nfs/dbraw/zinc/23/46/06/653234606.db2.gz FZXCJLWIJZJVBV-SMDDNHRTSA-N 1 2 386.341 2.259 20 0 GEADLO Cc1cccc2cc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)sc21 ZINC000809165035 653253385 /nfs/dbraw/zinc/25/33/85/653253385.db2.gz SIPJXBQONZXISK-UHFFFAOYSA-N 1 2 380.535 2.449 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)Cc1csc(C)n1)[NH+]1CCOCC1 ZINC000684095458 653256763 /nfs/dbraw/zinc/25/67/63/653256763.db2.gz HKVCPQBDMNSTMN-MRXNPFEDSA-N 1 2 375.560 2.008 20 0 GEADLO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000775178646 653301355 /nfs/dbraw/zinc/30/13/55/653301355.db2.gz CCHIUIZTDWBCJQ-AWEZNQCLSA-N 1 2 387.311 2.212 20 0 GEADLO CC(C)N1C(=S)N=NC1CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000874449404 653319699 /nfs/dbraw/zinc/31/96/99/653319699.db2.gz OSKIAUHMBOKIHR-JTQLQIEISA-N 1 2 376.408 2.197 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000874709669 653333741 /nfs/dbraw/zinc/33/37/41/653333741.db2.gz JCEYZZMCEFIKLM-CYBMUJFWSA-N 1 2 379.448 2.408 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000874709669 653333742 /nfs/dbraw/zinc/33/37/42/653333742.db2.gz JCEYZZMCEFIKLM-CYBMUJFWSA-N 1 2 379.448 2.408 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000874706724 653333770 /nfs/dbraw/zinc/33/37/70/653333770.db2.gz WQCZNDICJXTIGE-LBPRGKRZSA-N 1 2 381.274 2.166 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000874706724 653333772 /nfs/dbraw/zinc/33/37/72/653333772.db2.gz WQCZNDICJXTIGE-LBPRGKRZSA-N 1 2 381.274 2.166 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000874709551 653333825 /nfs/dbraw/zinc/33/38/25/653333825.db2.gz FXFMELXVXYUWFF-GFCCVEGCSA-N 1 2 387.322 2.241 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000874709551 653333829 /nfs/dbraw/zinc/33/38/29/653333829.db2.gz FXFMELXVXYUWFF-GFCCVEGCSA-N 1 2 387.322 2.241 20 0 GEADLO COc1cc(/C=C/C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc(Br)c1O ZINC000857887589 653342247 /nfs/dbraw/zinc/34/22/47/653342247.db2.gz MUOVQBBXBPVGPZ-VUDBWIFFSA-N 1 2 378.226 2.114 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000857985946 653346147 /nfs/dbraw/zinc/34/61/47/653346147.db2.gz MJAFILANWSWMNZ-WCQYABFASA-N 1 2 389.253 2.260 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857978834 653346168 /nfs/dbraw/zinc/34/61/68/653346168.db2.gz QPZHHZXYQXHFKL-ZDUSSCGKSA-N 1 2 378.226 2.488 20 0 GEADLO O=C(CCNC(=O)c1cc(F)ccc1Br)N[C@H]1CCn2c[nH+]cc21 ZINC000857985995 653346209 /nfs/dbraw/zinc/34/62/09/653346209.db2.gz NECGAWVJYQPFGC-ZDUSSCGKSA-N 1 2 395.232 2.166 20 0 GEADLO O=C(CCNC(=O)Nc1ccc(Br)cc1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857988115 653346563 /nfs/dbraw/zinc/34/65/63/653346563.db2.gz BLPNQQOZHMWLDI-CYBMUJFWSA-N 1 2 392.257 2.418 20 0 GEADLO CCON(CC)C(=O)C[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000858218122 653355543 /nfs/dbraw/zinc/35/55/43/653355543.db2.gz HBNYWRDAHAEMCC-UHFFFAOYSA-N 1 2 375.263 2.356 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CCO1 ZINC000875194420 653357134 /nfs/dbraw/zinc/35/71/34/653357134.db2.gz KWWIROOCMSDHFO-GLZXHMCRSA-N 1 2 394.313 2.107 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CCO1 ZINC000875194420 653357136 /nfs/dbraw/zinc/35/71/36/653357136.db2.gz KWWIROOCMSDHFO-GLZXHMCRSA-N 1 2 394.313 2.107 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000858981615 653390549 /nfs/dbraw/zinc/39/05/49/653390549.db2.gz IFOKXWNABCDPEC-UHFFFAOYSA-N 1 2 387.889 2.377 20 0 GEADLO CN(CCS(C)(=O)=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000875872484 653394966 /nfs/dbraw/zinc/39/49/66/653394966.db2.gz ZWNYPJAIRCFBHR-CQSZACIVSA-N 1 2 396.340 2.282 20 0 GEADLO O=S(=O)(c1ccc(Br)nc1F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000859055679 653398124 /nfs/dbraw/zinc/39/81/24/653398124.db2.gz IWHKQTDEVJKNFZ-UHFFFAOYSA-N 1 2 389.250 2.275 20 0 GEADLO S=C1N=NC(Cc2cccs2)N1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000777561270 653401486 /nfs/dbraw/zinc/40/14/86/653401486.db2.gz KHNDMTRQPNWEHO-UHFFFAOYSA-N 1 2 375.527 2.180 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000837153889 653404763 /nfs/dbraw/zinc/40/47/63/653404763.db2.gz HFLIBLRPMQTPEF-IUODEOHRSA-N 1 2 378.270 2.400 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cccnc1I ZINC000777795249 653407351 /nfs/dbraw/zinc/40/73/51/653407351.db2.gz QOOBAWUDPMWPAM-UHFFFAOYSA-N 1 2 396.232 2.192 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cnn(CC2CC2)c1)[N@@H+]1CCc2sccc2C1 ZINC000777876232 653410428 /nfs/dbraw/zinc/41/04/28/653410428.db2.gz VYEMOQIEGKBUGN-ZDUSSCGKSA-N 1 2 380.539 2.080 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cnn(CC2CC2)c1)[N@H+]1CCc2sccc2C1 ZINC000777876232 653410434 /nfs/dbraw/zinc/41/04/34/653410434.db2.gz VYEMOQIEGKBUGN-ZDUSSCGKSA-N 1 2 380.539 2.080 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000812489171 653428436 /nfs/dbraw/zinc/42/84/36/653428436.db2.gz NRMGXGHOYORBLN-AWEZNQCLSA-N 1 2 376.766 2.323 20 0 GEADLO CCOC(=O)N(C)C1CC[NH+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000876683192 653442626 /nfs/dbraw/zinc/44/26/26/653442626.db2.gz SLRHYQIPEUKZSF-UHFFFAOYSA-N 1 2 389.905 2.040 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)s1 ZINC000876718005 653443605 /nfs/dbraw/zinc/44/36/05/653443605.db2.gz LGWPXIZKFPVEAI-KRWDZBQOSA-N 1 2 384.498 2.480 20 0 GEADLO O=Cc1cc(Br)cc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000859615603 653478133 /nfs/dbraw/zinc/47/81/33/653478133.db2.gz ACXGVZDRDAPZAQ-CYBMUJFWSA-N 1 2 381.270 2.056 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000779563652 653482752 /nfs/dbraw/zinc/48/27/52/653482752.db2.gz PBOZHZINJPCMCF-NXEZZACHSA-N 1 2 386.271 2.169 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cnc(C3(C)OCCO3)s2)CC1 ZINC000859680029 653498638 /nfs/dbraw/zinc/49/86/38/653498638.db2.gz FWHUVDMDHGUQIE-UHFFFAOYSA-N 1 2 375.441 2.164 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cnc(C3(C)OCCO3)s2)CC1 ZINC000859680029 653498709 /nfs/dbraw/zinc/49/87/09/653498709.db2.gz FWHUVDMDHGUQIE-UHFFFAOYSA-N 1 2 375.441 2.164 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000779567406 653500585 /nfs/dbraw/zinc/50/05/85/653500585.db2.gz PDCRNVPFKPLMCA-RISCZKNCSA-N 1 2 380.242 2.107 20 0 GEADLO Fc1cccc(N2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)n1 ZINC000877565317 653612227 /nfs/dbraw/zinc/61/22/27/653612227.db2.gz FIUSHTVCGIJLFT-UHFFFAOYSA-N 1 2 391.248 2.348 20 0 GEADLO C[N@@H+](Cc1cn(C[C@@H]2CCOC2)nn1)C[C@@H](O)c1cccc(Br)c1 ZINC000877587366 653613422 /nfs/dbraw/zinc/61/34/22/653613422.db2.gz CFVDLKGFKJXIQE-SUMWQHHRSA-N 1 2 395.301 2.243 20 0 GEADLO C[N@H+](Cc1cn(C[C@@H]2CCOC2)nn1)C[C@@H](O)c1cccc(Br)c1 ZINC000877587366 653613423 /nfs/dbraw/zinc/61/34/23/653613423.db2.gz CFVDLKGFKJXIQE-SUMWQHHRSA-N 1 2 395.301 2.243 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cccnc3Br)C2)n1 ZINC000877648421 653615440 /nfs/dbraw/zinc/61/54/40/653615440.db2.gz XXMBNUUHFTULEZ-INIZCTEOSA-N 1 2 381.274 2.359 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cccnc3Br)C2)n1 ZINC000877648421 653615443 /nfs/dbraw/zinc/61/54/43/653615443.db2.gz XXMBNUUHFTULEZ-INIZCTEOSA-N 1 2 381.274 2.359 20 0 GEADLO CN1C[C@H]([N@H+](C)Cc2cccc(F)c2I)CCC1=O ZINC000877648376 653615465 /nfs/dbraw/zinc/61/54/65/653615465.db2.gz FPHNHSOQQDORBR-LLVKDONJSA-N 1 2 376.213 2.483 20 0 GEADLO CN1C[C@H]([N@@H+](C)Cc2cccc(F)c2I)CCC1=O ZINC000877648376 653615467 /nfs/dbraw/zinc/61/54/67/653615467.db2.gz FPHNHSOQQDORBR-LLVKDONJSA-N 1 2 376.213 2.483 20 0 GEADLO OCCC1(CCO)CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000877690393 653616839 /nfs/dbraw/zinc/61/68/39/653616839.db2.gz FCTSVBPXLMACCT-UHFFFAOYSA-N 1 2 382.302 2.444 20 0 GEADLO CO[C@H]1C[C@H]2C[N@H+](Cc3cn(C)nc3Br)Cc3cccnc3N2C1 ZINC000877690078 653616956 /nfs/dbraw/zinc/61/69/56/653616956.db2.gz DIJKHDABORVOKP-GJZGRUSLSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@H]1C[C@H]2C[N@@H+](Cc3cn(C)nc3Br)Cc3cccnc3N2C1 ZINC000877690078 653616960 /nfs/dbraw/zinc/61/69/60/653616960.db2.gz DIJKHDABORVOKP-GJZGRUSLSA-N 1 2 392.301 2.187 20 0 GEADLO OCC1(CO)CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000877797664 653621100 /nfs/dbraw/zinc/62/11/00/653621100.db2.gz OUCZVCXONWVFHW-UHFFFAOYSA-N 1 2 380.286 2.406 20 0 GEADLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)c2cc(Br)no2)C[C@@H](C)O1 ZINC000877998350 653625874 /nfs/dbraw/zinc/62/58/74/653625874.db2.gz QQWWBIFICGGKKP-MQYQWHSLSA-N 1 2 388.306 2.044 20 0 GEADLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@H](O)c2cc(Br)no2)C[C@@H](C)O1 ZINC000877998350 653625875 /nfs/dbraw/zinc/62/58/75/653625875.db2.gz QQWWBIFICGGKKP-MQYQWHSLSA-N 1 2 388.306 2.044 20 0 GEADLO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)c2cc(Br)no2)C[C@H](C)O1 ZINC000877998349 653625918 /nfs/dbraw/zinc/62/59/18/653625918.db2.gz QQWWBIFICGGKKP-CRWXNKLISA-N 1 2 388.306 2.044 20 0 GEADLO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@H](O)c2cc(Br)no2)C[C@H](C)O1 ZINC000877998349 653625921 /nfs/dbraw/zinc/62/59/21/653625921.db2.gz QQWWBIFICGGKKP-CRWXNKLISA-N 1 2 388.306 2.044 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cn(C(C)(C)C)nc1Br)[NH+]1CCOCC1 ZINC000780479672 653626432 /nfs/dbraw/zinc/62/64/32/653626432.db2.gz KRTDFESOJDVQGM-NWDGAFQWSA-N 1 2 387.322 2.240 20 0 GEADLO O=c1[nH]c(C[NH+]2CCC(n3cc(Br)cn3)CC2)nc2c1COCC2 ZINC000878092570 653628477 /nfs/dbraw/zinc/62/84/77/653628477.db2.gz VUWJTWSIBKWHFU-UHFFFAOYSA-N 1 2 394.273 2.051 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)[C@@H](C)C[N@@H+]1C ZINC000860531992 653629692 /nfs/dbraw/zinc/62/96/92/653629692.db2.gz CTMFYVRINXWSQH-MNOVXSKESA-N 1 2 379.258 2.074 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)[C@@H](C)C[N@H+]1C ZINC000860531992 653629697 /nfs/dbraw/zinc/62/96/97/653629697.db2.gz CTMFYVRINXWSQH-MNOVXSKESA-N 1 2 379.258 2.074 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860531991 653629724 /nfs/dbraw/zinc/62/97/24/653629724.db2.gz CTMFYVRINXWSQH-GHMZBOCLSA-N 1 2 379.258 2.074 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860531991 653629726 /nfs/dbraw/zinc/62/97/26/653629726.db2.gz CTMFYVRINXWSQH-GHMZBOCLSA-N 1 2 379.258 2.074 20 0 GEADLO C[NH+]1CCN(Cc2cccc(NS(=O)(=O)c3cccnc3Cl)c2)CC1 ZINC000780760296 653631746 /nfs/dbraw/zinc/63/17/46/653631746.db2.gz OUAGXXZUOBERIB-UHFFFAOYSA-N 1 2 380.901 2.283 20 0 GEADLO CS(=O)(=O)CC[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000878297060 653633904 /nfs/dbraw/zinc/63/39/04/653633904.db2.gz UJOGHCBVNKDFFN-CQSZACIVSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)CC[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000878297060 653633908 /nfs/dbraw/zinc/63/39/08/653633908.db2.gz UJOGHCBVNKDFFN-CQSZACIVSA-N 1 2 382.309 2.242 20 0 GEADLO COc1ccc([C@H](C)[NH2+]Cc2nnc3c(=O)[nH]ccn23)cc1Br ZINC000878347550 653635344 /nfs/dbraw/zinc/63/53/44/653635344.db2.gz NFMBTVCWPJNCLT-VIFPVBQESA-N 1 2 378.230 2.040 20 0 GEADLO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1cccc(O)c1Br ZINC000838979057 653638497 /nfs/dbraw/zinc/63/84/97/653638497.db2.gz GPVNRTDAAVJTIE-NSHDSACASA-N 1 2 377.304 2.386 20 0 GEADLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878599976 653641947 /nfs/dbraw/zinc/64/19/47/653641947.db2.gz AEHIIQRRAZCBAZ-QWRGUYRKSA-N 1 2 376.251 2.071 20 0 GEADLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878599976 653641948 /nfs/dbraw/zinc/64/19/48/653641948.db2.gz AEHIIQRRAZCBAZ-QWRGUYRKSA-N 1 2 376.251 2.071 20 0 GEADLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878685993 653644420 /nfs/dbraw/zinc/64/44/20/653644420.db2.gz RBMDFWBMIQLKNT-ZJUUUORDSA-N 1 2 386.212 2.287 20 0 GEADLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878685993 653644424 /nfs/dbraw/zinc/64/44/24/653644424.db2.gz RBMDFWBMIQLKNT-ZJUUUORDSA-N 1 2 386.212 2.287 20 0 GEADLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878685992 653644508 /nfs/dbraw/zinc/64/45/08/653644508.db2.gz RBMDFWBMIQLKNT-VHSXEESVSA-N 1 2 386.212 2.287 20 0 GEADLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878685992 653644510 /nfs/dbraw/zinc/64/45/10/653644510.db2.gz RBMDFWBMIQLKNT-VHSXEESVSA-N 1 2 386.212 2.287 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Br)cc(C=O)c2)CC[N@@H+]1CC(C)(C)O ZINC000861182108 653649454 /nfs/dbraw/zinc/64/94/54/653649454.db2.gz IBDRBJHXRWCSMJ-GFCCVEGCSA-N 1 2 383.286 2.179 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Br)cc(C=O)c2)CC[N@H+]1CC(C)(C)O ZINC000861182108 653649457 /nfs/dbraw/zinc/64/94/57/653649457.db2.gz IBDRBJHXRWCSMJ-GFCCVEGCSA-N 1 2 383.286 2.179 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000839466360 653650231 /nfs/dbraw/zinc/65/02/31/653650231.db2.gz CGKGWSLBBWGBTA-AWEZNQCLSA-N 1 2 378.416 2.335 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000839466360 653650232 /nfs/dbraw/zinc/65/02/32/653650232.db2.gz CGKGWSLBBWGBTA-AWEZNQCLSA-N 1 2 378.416 2.335 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000839506501 653652734 /nfs/dbraw/zinc/65/27/34/653652734.db2.gz BQMZEXIZNJJWFX-SECBINFHSA-N 1 2 382.251 2.264 20 0 GEADLO COC(=O)[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000782274988 653658481 /nfs/dbraw/zinc/65/84/81/653658481.db2.gz WZBHHPABGSHMFD-WCQYABFASA-N 1 2 387.263 2.426 20 0 GEADLO COC(=O)[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000782274988 653658482 /nfs/dbraw/zinc/65/84/82/653658482.db2.gz WZBHHPABGSHMFD-WCQYABFASA-N 1 2 387.263 2.426 20 0 GEADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839639939 653659101 /nfs/dbraw/zinc/65/91/01/653659101.db2.gz KGONOEYWFSUAMN-ZWNOBZJWSA-N 1 2 395.305 2.009 20 0 GEADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839639939 653659104 /nfs/dbraw/zinc/65/91/04/653659104.db2.gz KGONOEYWFSUAMN-ZWNOBZJWSA-N 1 2 395.305 2.009 20 0 GEADLO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ncc(Br)s1)C(F)(F)F ZINC000782361811 653660076 /nfs/dbraw/zinc/66/00/76/653660076.db2.gz NXXDLRCUBLZPSG-JTQLQIEISA-N 1 2 385.209 2.179 20 0 GEADLO O=S(=O)(c1ccc(C[NH+]2CCC(CCO)(CCO)CC2)cc1)C(F)F ZINC000879281272 653664556 /nfs/dbraw/zinc/66/45/56/653664556.db2.gz MBBMYQCMPCYILT-UHFFFAOYSA-N 1 2 377.453 2.030 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)c(SC)c1 ZINC000879549863 653672332 /nfs/dbraw/zinc/67/23/32/653672332.db2.gz XSOOAFNSZHZJPY-GFCCVEGCSA-N 1 2 398.282 2.339 20 0 GEADLO Cc1cc(Br)ccc1C[N@H+](C)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000840054581 653672670 /nfs/dbraw/zinc/67/26/70/653672670.db2.gz JZVKBTCVHKMRBA-INIZCTEOSA-N 1 2 397.313 2.147 20 0 GEADLO Cc1cc(Br)ccc1C[N@@H+](C)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000840054581 653672673 /nfs/dbraw/zinc/67/26/73/653672673.db2.gz JZVKBTCVHKMRBA-INIZCTEOSA-N 1 2 397.313 2.147 20 0 GEADLO CC1(C)C[C@H](O)C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000879616156 653674151 /nfs/dbraw/zinc/67/41/51/653674151.db2.gz SJFLYIRSKMDDRA-ZDUSSCGKSA-N 1 2 376.316 2.316 20 0 GEADLO CC1(C)C[C@H](O)C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000879616156 653674155 /nfs/dbraw/zinc/67/41/55/653674155.db2.gz SJFLYIRSKMDDRA-ZDUSSCGKSA-N 1 2 376.316 2.316 20 0 GEADLO O=C(Nc1ccnc(Br)c1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000879668456 653678370 /nfs/dbraw/zinc/67/83/70/653678370.db2.gz RPBYKMKTCDUHKN-UHFFFAOYSA-N 1 2 391.273 2.026 20 0 GEADLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000879764434 653681216 /nfs/dbraw/zinc/68/12/16/653681216.db2.gz XLJRMEMZQPGIBH-NHYWBVRUSA-N 1 2 380.794 2.223 20 0 GEADLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000879764434 653681218 /nfs/dbraw/zinc/68/12/18/653681218.db2.gz XLJRMEMZQPGIBH-NHYWBVRUSA-N 1 2 380.794 2.223 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000840353389 653683522 /nfs/dbraw/zinc/68/35/22/653683522.db2.gz ZZMWUSMDJDSOLZ-LSDHHAIUSA-N 1 2 393.285 2.335 20 0 GEADLO COC(=O)NCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000816514062 653686381 /nfs/dbraw/zinc/68/63/81/653686381.db2.gz LEPNQZIKAGWWJG-UHFFFAOYSA-N 1 2 395.257 2.030 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000862550359 653688454 /nfs/dbraw/zinc/68/84/54/653688454.db2.gz DRYVBWIHMOERFV-LLVKDONJSA-N 1 2 391.324 2.402 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000862550359 653688456 /nfs/dbraw/zinc/68/84/56/653688456.db2.gz DRYVBWIHMOERFV-LLVKDONJSA-N 1 2 391.324 2.402 20 0 GEADLO C[S@](=N)(=O)N1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000879943312 653689492 /nfs/dbraw/zinc/68/94/92/653689492.db2.gz FQNRCIMPYXRBTO-RUZDIDTESA-N 1 2 378.420 2.243 20 0 GEADLO CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@@H](O)c1cc(Br)no1)CC2 ZINC000880032126 653692997 /nfs/dbraw/zinc/69/29/97/653692997.db2.gz KKXBBFYXQWTINC-CQSZACIVSA-N 1 2 380.242 2.487 20 0 GEADLO CC(=O)Nc1ccc2c(c1)C[N@H+](C[C@@H](O)c1cc(Br)no1)CC2 ZINC000880032126 653692999 /nfs/dbraw/zinc/69/29/99/653692999.db2.gz KKXBBFYXQWTINC-CQSZACIVSA-N 1 2 380.242 2.487 20 0 GEADLO CS(=O)(=O)N(CC[N@@H+]1CCO[C@@H](C(F)(F)F)CC1)Cc1ccccc1 ZINC000880051043 653694569 /nfs/dbraw/zinc/69/45/69/653694569.db2.gz HGGQMBABNOBVFO-OAHLLOKOSA-N 1 2 380.432 2.101 20 0 GEADLO CS(=O)(=O)N(CC[N@H+]1CCO[C@@H](C(F)(F)F)CC1)Cc1ccccc1 ZINC000880051043 653694572 /nfs/dbraw/zinc/69/45/72/653694572.db2.gz HGGQMBABNOBVFO-OAHLLOKOSA-N 1 2 380.432 2.101 20 0 GEADLO Cc1cc(NCCNC(=O)c2cc(Br)n(C)n2)nc(C(C)C)[nH+]1 ZINC000862860913 653696889 /nfs/dbraw/zinc/69/68/89/653696889.db2.gz UDZLKKWQWJBGHP-UHFFFAOYSA-N 1 2 381.278 2.246 20 0 GEADLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NCc2sccc2C)C[C@H]1C(F)(F)F ZINC000880156670 653699485 /nfs/dbraw/zinc/69/94/85/653699485.db2.gz NIQPTLUUBLMAHN-VXGBXAGGSA-N 1 2 378.416 2.346 20 0 GEADLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NCc2sccc2C)C[C@H]1C(F)(F)F ZINC000880156670 653699487 /nfs/dbraw/zinc/69/94/87/653699487.db2.gz NIQPTLUUBLMAHN-VXGBXAGGSA-N 1 2 378.416 2.346 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000863210108 653703729 /nfs/dbraw/zinc/70/37/29/653703729.db2.gz JAWZIQBWZJDJRQ-KRWDZBQOSA-N 1 2 387.908 2.381 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000863210108 653703732 /nfs/dbraw/zinc/70/37/32/653703732.db2.gz JAWZIQBWZJDJRQ-KRWDZBQOSA-N 1 2 387.908 2.381 20 0 GEADLO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cn1nc2cnccn2c1=O ZINC000863323613 653706642 /nfs/dbraw/zinc/70/66/42/653706642.db2.gz QDXYPTFSQPHTBI-OCCSQVGLSA-N 1 2 388.269 2.489 20 0 GEADLO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cn1nc2cnccn2c1=O ZINC000863323613 653706643 /nfs/dbraw/zinc/70/66/43/653706643.db2.gz QDXYPTFSQPHTBI-OCCSQVGLSA-N 1 2 388.269 2.489 20 0 GEADLO CC1(C)[C@H](NC(=O)c2ccc(Br)c(O)c2)C[C@H]1[NH+]1CCOCC1 ZINC000880497399 653706883 /nfs/dbraw/zinc/70/68/83/653706883.db2.gz ZAZWNRKSXDDSOH-HUUCEWRRSA-N 1 2 383.286 2.384 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)C(=O)c1ccc(Br)cc1 ZINC000880498070 653707027 /nfs/dbraw/zinc/70/70/27/653707027.db2.gz GCAADEQFHBKLMA-LSDHHAIUSA-N 1 2 395.297 2.247 20 0 GEADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C3SCCCS3)c2)CC1 ZINC000841191640 653709879 /nfs/dbraw/zinc/70/98/79/653709879.db2.gz DLZLPROUXJHMKW-UHFFFAOYSA-N 1 2 379.551 2.485 20 0 GEADLO COC(=O)c1ccc(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000785566395 653712533 /nfs/dbraw/zinc/71/25/33/653712533.db2.gz OKAVNBWUAAWEOF-NSHDSACASA-N 1 2 395.257 2.320 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)c(F)cc1Cl ZINC000841478505 653719043 /nfs/dbraw/zinc/71/90/43/653719043.db2.gz DCZUMALINFKMTE-JTQLQIEISA-N 1 2 378.853 2.028 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)c(F)cc1Cl ZINC000841478505 653719049 /nfs/dbraw/zinc/71/90/49/653719049.db2.gz DCZUMALINFKMTE-JTQLQIEISA-N 1 2 378.853 2.028 20 0 GEADLO COc1ccc(CC(N)=[NH+]OCc2ccc(S(=O)(=O)N(C)C)s2)cc1 ZINC000818076383 653725105 /nfs/dbraw/zinc/72/51/05/653725105.db2.gz GQYNTBZBZYANKD-UHFFFAOYSA-N 1 2 383.495 2.248 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000864424287 653735656 /nfs/dbraw/zinc/73/56/56/653735656.db2.gz UPSQITSEYXSTPD-NEPJUHHUSA-N 1 2 379.258 2.337 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)[C@H]1C ZINC000787248275 653736051 /nfs/dbraw/zinc/73/60/51/653736051.db2.gz XIPXVCYMCPCEOW-YNHOBRIKSA-N 1 2 385.873 2.009 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)[C@H]1C ZINC000787248275 653736052 /nfs/dbraw/zinc/73/60/52/653736052.db2.gz XIPXVCYMCPCEOW-YNHOBRIKSA-N 1 2 385.873 2.009 20 0 GEADLO Cc1nn(C)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787380457 653737882 /nfs/dbraw/zinc/73/78/82/653737882.db2.gz CUSXDGXUVKCINN-UHFFFAOYSA-N 1 2 392.301 2.495 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)c3cncnc3)cc2Br)CC1 ZINC000787390491 653738075 /nfs/dbraw/zinc/73/80/75/653738075.db2.gz UNSWJTLCCHAPJA-UHFFFAOYSA-N 1 2 376.258 2.243 20 0 GEADLO CC(=O)OC(C)(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787668003 653741818 /nfs/dbraw/zinc/74/18/18/653741818.db2.gz BFGJXEZVQBYUFE-UHFFFAOYSA-N 1 2 398.301 2.481 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C1CCCCC1 ZINC000881870499 653745402 /nfs/dbraw/zinc/74/54/02/653745402.db2.gz SHLFQULFUBYCAR-IQMFZBJNSA-N 1 2 377.576 2.222 20 0 GEADLO Cc1cc(F)ccc1[C@@H](O)C[NH2+]Cc1nn(C)cc1I ZINC000819355159 653749803 /nfs/dbraw/zinc/74/98/03/653749803.db2.gz LQFIUDVTLSWCPC-AWEZNQCLSA-N 1 2 389.212 2.295 20 0 GEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Cn1ccc(Br)cc1=O ZINC000864985429 653750360 /nfs/dbraw/zinc/75/03/60/653750360.db2.gz JULUCUCOQXAGTQ-ZDUSSCGKSA-N 1 2 381.274 2.038 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000788156060 653751055 /nfs/dbraw/zinc/75/10/55/653751055.db2.gz XJVFWCICSTXNKQ-IINYFYTJSA-N 1 2 386.235 2.315 20 0 GEADLO C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000881959487 653753113 /nfs/dbraw/zinc/75/31/13/653753113.db2.gz BGTZOSQFYZDCLQ-IINYFYTJSA-N 1 2 378.281 2.231 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000788378244 653755265 /nfs/dbraw/zinc/75/52/65/653755265.db2.gz OSPURZNLHQGZJH-NSHDSACASA-N 1 2 386.279 2.199 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cc2coc3c2ccc(Cl)c3Cl)CC1 ZINC000865164088 653755723 /nfs/dbraw/zinc/75/57/23/653755723.db2.gz WIZUZBDMPPIWDV-UHFFFAOYSA-N 1 2 384.263 2.302 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)Cc2coc3c2ccc(Cl)c3Cl)CC1 ZINC000865164088 653755726 /nfs/dbraw/zinc/75/57/26/653755726.db2.gz WIZUZBDMPPIWDV-UHFFFAOYSA-N 1 2 384.263 2.302 20 0 GEADLO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000881991789 653755854 /nfs/dbraw/zinc/75/58/54/653755854.db2.gz JOIZGADVGAAKQJ-MCIONIFRSA-N 1 2 385.357 2.133 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000842615353 653760452 /nfs/dbraw/zinc/76/04/52/653760452.db2.gz MRWLNCMBWKHQQC-CQSZACIVSA-N 1 2 388.269 2.339 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000842615353 653760454 /nfs/dbraw/zinc/76/04/54/653760454.db2.gz MRWLNCMBWKHQQC-CQSZACIVSA-N 1 2 388.269 2.339 20 0 GEADLO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1nc(Br)ccc1F ZINC000788663563 653762489 /nfs/dbraw/zinc/76/24/89/653762489.db2.gz HBUCXTXADVEFQC-ZWNOBZJWSA-N 1 2 386.265 2.414 20 0 GEADLO CC[N@@H+]1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)C[C@H]1C ZINC000882131917 653764508 /nfs/dbraw/zinc/76/45/08/653764508.db2.gz OHRRXDIJGAQEBY-SECBINFHSA-N 1 2 383.212 2.099 20 0 GEADLO CC[N@H+]1CCN(c2cnn(CC(F)(F)F)c(=O)c2Br)C[C@H]1C ZINC000882131917 653764510 /nfs/dbraw/zinc/76/45/10/653764510.db2.gz OHRRXDIJGAQEBY-SECBINFHSA-N 1 2 383.212 2.099 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)NC[C@H](O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000788817529 653765042 /nfs/dbraw/zinc/76/50/42/653765042.db2.gz DVZYORQVIWBRIT-AGIUHOORSA-N 1 2 383.773 2.447 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)NC[C@H](O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000788817529 653765046 /nfs/dbraw/zinc/76/50/46/653765046.db2.gz DVZYORQVIWBRIT-AGIUHOORSA-N 1 2 383.773 2.447 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3nc(Cl)ccc3Cl)cc2C1 ZINC000788837238 653765220 /nfs/dbraw/zinc/76/52/20/653765220.db2.gz WCKOXXMZSLLHOI-UHFFFAOYSA-N 1 2 379.247 2.484 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3nc(Cl)ccc3Cl)cc2C1 ZINC000788837238 653765222 /nfs/dbraw/zinc/76/52/22/653765222.db2.gz WCKOXXMZSLLHOI-UHFFFAOYSA-N 1 2 379.247 2.484 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)ccc1Br ZINC000788884486 653765390 /nfs/dbraw/zinc/76/53/90/653765390.db2.gz JVSALMCIDDIJMR-LLVKDONJSA-N 1 2 375.288 2.024 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)ccc1Br ZINC000788884486 653765391 /nfs/dbraw/zinc/76/53/91/653765391.db2.gz JVSALMCIDDIJMR-LLVKDONJSA-N 1 2 375.288 2.024 20 0 GEADLO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1nccc(C)c1Br ZINC000865494406 653766790 /nfs/dbraw/zinc/76/67/90/653766790.db2.gz YNNRBTWJMSDSSQ-NSHDSACASA-N 1 2 376.320 2.384 20 0 GEADLO OC[C@@H]([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1ccc(Br)cc1 ZINC000865517967 653767326 /nfs/dbraw/zinc/76/73/26/653767326.db2.gz HQRJZWPVGKBDQM-HZPDHXFCSA-N 1 2 381.274 2.043 20 0 GEADLO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000842864978 653770970 /nfs/dbraw/zinc/77/09/70/653770970.db2.gz QHDYAWHQJMRRHB-FZKGZDJFSA-N 1 2 381.242 2.289 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)/C=C/c2ccccc2Br)C1 ZINC000842881148 653771749 /nfs/dbraw/zinc/77/17/49/653771749.db2.gz JCUZTEWKPQAULX-VIIAAUOXSA-N 1 2 377.279 2.383 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000865717889 653772878 /nfs/dbraw/zinc/77/28/78/653772878.db2.gz OGUQUQIKCUAEQV-OMVNSRBRSA-N 1 2 394.313 2.032 20 0 GEADLO CC(=O)N[C@@H](C(=O)NCCCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000865804546 653775642 /nfs/dbraw/zinc/77/56/42/653775642.db2.gz AHTZBVGPMMKNTI-MRXNPFEDSA-N 1 2 393.285 2.419 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(COC(=O)[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000820499194 653775759 /nfs/dbraw/zinc/77/57/59/653775759.db2.gz NIKUPJJMNLLORS-INIZCTEOSA-N 1 2 382.507 2.345 20 0 GEADLO COc1cc(C[NH2+]Cc2c(I)cnn2C)cc(OC)c1 ZINC000865867692 653777796 /nfs/dbraw/zinc/77/77/96/653777796.db2.gz HGBPGCIEZVCZQS-UHFFFAOYSA-N 1 2 387.221 2.332 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000865867724 653777852 /nfs/dbraw/zinc/77/78/52/653777852.db2.gz BBLPXPBBPAYJQS-UHFFFAOYSA-N 1 2 385.253 2.402 20 0 GEADLO O=c1[nH]c(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)nc2c1COCC2 ZINC000865867348 653777877 /nfs/dbraw/zinc/77/78/77/653777877.db2.gz LBAFHPZUVURKDT-UHFFFAOYSA-N 1 2 394.225 2.036 20 0 GEADLO COc1ccc(C[NH2+]Cc2c(I)cnn2C)c(F)c1 ZINC000865869066 653778242 /nfs/dbraw/zinc/77/82/42/653778242.db2.gz VQMVPEHPXRXFRP-UHFFFAOYSA-N 1 2 375.185 2.462 20 0 GEADLO CCSCc1cccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)c1 ZINC000789598747 653778516 /nfs/dbraw/zinc/77/85/16/653778516.db2.gz DKIOOAJTDAXCOA-UHFFFAOYSA-N 1 2 380.861 2.246 20 0 GEADLO C[C@H](c1noc([C@@H]([NH3+])CCS(C)(=O)=O)n1)c1ccc(Br)cc1 ZINC000843209594 653781415 /nfs/dbraw/zinc/78/14/15/653781415.db2.gz GEVNQYCNWZRIFF-CABZTGNLSA-N 1 2 388.287 2.418 20 0 GEADLO O=S(=O)(CC=C(Cl)Cl)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000882478503 653784197 /nfs/dbraw/zinc/78/41/97/653784197.db2.gz WKBRQKCDLHTZJI-UHFFFAOYSA-N 1 2 382.338 2.373 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@@H](C(F)(F)F)CC2)C1 ZINC000882514130 653786032 /nfs/dbraw/zinc/78/60/32/653786032.db2.gz ALURHQCGKOGMSV-OAHLLOKOSA-N 1 2 378.416 2.016 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@@H](C(F)(F)F)CC2)C1 ZINC000882514130 653786033 /nfs/dbraw/zinc/78/60/33/653786033.db2.gz ALURHQCGKOGMSV-OAHLLOKOSA-N 1 2 378.416 2.016 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCc2c(F)cc(Br)cc2C1 ZINC000843449336 653787193 /nfs/dbraw/zinc/78/71/93/653787193.db2.gz LDUOIKLWDCUDOU-UHFFFAOYSA-N 1 2 379.233 2.156 20 0 GEADLO CN1C(=O)[C@H]2CN(c3cc[nH+]c4c(Br)ccc(F)c43)C[C@H]2C1=O ZINC000866163497 653787731 /nfs/dbraw/zinc/78/77/31/653787731.db2.gz BWNJDWYFICQOHL-DTORHVGOSA-N 1 2 378.201 2.187 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ncc(Br)cc1S(N)(=O)=O ZINC000866195047 653788730 /nfs/dbraw/zinc/78/87/30/653788730.db2.gz MDLNQKCKETZGSW-ZDUSSCGKSA-N 1 2 397.298 2.090 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ncc(Br)cc1S(N)(=O)=O ZINC000866195047 653788731 /nfs/dbraw/zinc/78/87/31/653788731.db2.gz MDLNQKCKETZGSW-ZDUSSCGKSA-N 1 2 397.298 2.090 20 0 GEADLO Cn1ncc(I)c1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000866292957 653790423 /nfs/dbraw/zinc/79/04/23/653790423.db2.gz WOMNBUCANBNNEW-UHFFFAOYSA-N 1 2 398.252 2.417 20 0 GEADLO Cn1ncc(I)c1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000866292957 653790427 /nfs/dbraw/zinc/79/04/27/653790427.db2.gz WOMNBUCANBNNEW-UHFFFAOYSA-N 1 2 398.252 2.417 20 0 GEADLO COC(=O)CC[N@H+](Cc1cccc(Br)c1)CN1C[C@@H](OC)CC1=O ZINC000790456551 653792549 /nfs/dbraw/zinc/79/25/49/653792549.db2.gz ZMXICADWXVRDGD-HNNXBMFYSA-N 1 2 399.285 2.019 20 0 GEADLO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)CN1C[C@@H](OC)CC1=O ZINC000790456551 653792551 /nfs/dbraw/zinc/79/25/51/653792551.db2.gz ZMXICADWXVRDGD-HNNXBMFYSA-N 1 2 399.285 2.019 20 0 GEADLO Cc1nn(C)c(C[NH2+]CCS(=O)(=O)Cc2ccccc2)c1Br ZINC000790469414 653792679 /nfs/dbraw/zinc/79/26/79/653792679.db2.gz VUYIBRCISKYHEV-UHFFFAOYSA-N 1 2 386.315 2.196 20 0 GEADLO CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3ccc(C)cc3Br)C[C@@H]2C1 ZINC000821328634 653794758 /nfs/dbraw/zinc/79/47/58/653794758.db2.gz MIMIENVCBQYVLR-AEGPPILISA-N 1 2 394.313 2.495 20 0 GEADLO CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ccc(C)cc3Br)C[C@@H]2C1 ZINC000821328634 653794760 /nfs/dbraw/zinc/79/47/60/653794760.db2.gz MIMIENVCBQYVLR-AEGPPILISA-N 1 2 394.313 2.495 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844144621 653802370 /nfs/dbraw/zinc/80/23/70/653802370.db2.gz MYRWNKLCJMSHSO-BLLLJJGKSA-N 1 2 378.270 2.400 20 0 GEADLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000882765115 653805596 /nfs/dbraw/zinc/80/55/96/653805596.db2.gz PYZMNASCMFCPOS-AWEZNQCLSA-N 1 2 376.906 2.128 20 0 GEADLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000882765115 653805599 /nfs/dbraw/zinc/80/55/99/653805599.db2.gz PYZMNASCMFCPOS-AWEZNQCLSA-N 1 2 376.906 2.128 20 0 GEADLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000882765116 653805634 /nfs/dbraw/zinc/80/56/34/653805634.db2.gz PYZMNASCMFCPOS-CQSZACIVSA-N 1 2 376.906 2.128 20 0 GEADLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000882765116 653805637 /nfs/dbraw/zinc/80/56/37/653805637.db2.gz PYZMNASCMFCPOS-CQSZACIVSA-N 1 2 376.906 2.128 20 0 GEADLO Cc1ccc([C@H](CNS(=O)(=O)c2nc[nH]c2Br)[NH+](C)C)cc1 ZINC000866644131 653807990 /nfs/dbraw/zinc/80/79/90/653807990.db2.gz QHTLPFROBBDBKE-LBPRGKRZSA-N 1 2 387.303 2.062 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000844641718 653810904 /nfs/dbraw/zinc/81/09/04/653810904.db2.gz OFKGRBKTHDRHHC-UHFFFAOYSA-N 1 2 391.299 2.388 20 0 GEADLO CCc1cccc(NC(=O)C[NH2+]Cc2c(I)cnn2C)c1 ZINC000895038599 653813756 /nfs/dbraw/zinc/81/37/56/653813756.db2.gz WUKAONQXBPNJRH-UHFFFAOYSA-N 1 2 398.248 2.315 20 0 GEADLO CCc1cccc(NC(=O)C[NH2+]Cc2cn(C)nc2I)c1 ZINC000895038172 653813830 /nfs/dbraw/zinc/81/38/30/653813830.db2.gz JNIPMRUNPNNTDP-UHFFFAOYSA-N 1 2 398.248 2.315 20 0 GEADLO S=C1N=NC(Cc2cccs2)N1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000844736594 653816239 /nfs/dbraw/zinc/81/62/39/653816239.db2.gz UNOGJTWVKZMLCH-UHFFFAOYSA-N 1 2 375.527 2.180 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000866732927 653816163 /nfs/dbraw/zinc/81/61/63/653816163.db2.gz YOKIUIVRWYTNRO-RKNYENMMSA-N 1 2 386.474 2.061 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000866732931 653816316 /nfs/dbraw/zinc/81/63/16/653816316.db2.gz YOKIUIVRWYTNRO-YEBMWUKDSA-N 1 2 386.474 2.061 20 0 GEADLO Cc1ccc(NC(=O)N2CCn3ncc(Br)c3C2)c(N(C)C)[nH+]1 ZINC000822079196 653817840 /nfs/dbraw/zinc/81/78/40/653817840.db2.gz WYPXBMKWPBWWOA-UHFFFAOYSA-N 1 2 379.262 2.463 20 0 GEADLO Cc1nc(NCC[C@@]2(O)C(=O)Nc3ccccc32)c(Br)c(C)[nH+]1 ZINC000895124998 653819782 /nfs/dbraw/zinc/81/97/82/653819782.db2.gz NNWIGSJMKVGEON-INIZCTEOSA-N 1 2 377.242 2.498 20 0 GEADLO C[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1N=NC(=O)N1C ZINC000895183865 653821717 /nfs/dbraw/zinc/82/17/17/653821717.db2.gz LAIRFFZRGAXZRQ-JTQLQIEISA-N 1 2 377.246 2.320 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cc(Br)cnc1Cl)Cn1cc[nH+]c1 ZINC000844828570 653821783 /nfs/dbraw/zinc/82/17/83/653821783.db2.gz JQTJZXHCHQJXFU-VIFPVBQESA-N 1 2 393.694 2.309 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791754317 653822936 /nfs/dbraw/zinc/82/29/36/653822936.db2.gz KZSTVGMUOYDTSE-MRVPVSSYSA-N 1 2 384.255 2.350 20 0 GEADLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1c(I)cnn1C)C2 ZINC000895388216 653831689 /nfs/dbraw/zinc/83/16/89/653831689.db2.gz HWXLPZNVNSFIAR-UHFFFAOYSA-N 1 2 397.264 2.496 20 0 GEADLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1c(I)cnn1C)C2 ZINC000895388216 653831695 /nfs/dbraw/zinc/83/16/95/653831695.db2.gz HWXLPZNVNSFIAR-UHFFFAOYSA-N 1 2 397.264 2.496 20 0 GEADLO O=C(NCC[C@H]1CCCC1(F)F)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000883184166 653831743 /nfs/dbraw/zinc/83/17/43/653831743.db2.gz QIMANLDCCUOOQW-GDBMZVCRSA-N 1 2 377.501 2.319 20 0 GEADLO CC(C)[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cc(F)cc(Br)c1 ZINC000883304642 653835121 /nfs/dbraw/zinc/83/51/21/653835121.db2.gz BNKJRMXXNCIADU-CQSZACIVSA-N 1 2 396.264 2.410 20 0 GEADLO O=C1NCCn2c(C[NH2+][C@@H]3CCCCc4ccc(Br)cc43)nnc21 ZINC000883305428 653835144 /nfs/dbraw/zinc/83/51/44/653835144.db2.gz WJWIMQVYFRINJR-CQSZACIVSA-N 1 2 390.285 2.341 20 0 GEADLO COC(=O)CC[C@@H]1CCC[N@H+](Cc2c(I)cnn2C)C1 ZINC000895474127 653837305 /nfs/dbraw/zinc/83/73/05/653837305.db2.gz UREVRPLVDMBVAP-NSHDSACASA-N 1 2 391.253 2.190 20 0 GEADLO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2c(I)cnn2C)C1 ZINC000895474127 653837311 /nfs/dbraw/zinc/83/73/11/653837311.db2.gz UREVRPLVDMBVAP-NSHDSACASA-N 1 2 391.253 2.190 20 0 GEADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCc1cnc(Br)cn1 ZINC000822724202 653838178 /nfs/dbraw/zinc/83/81/78/653838178.db2.gz DDXUROWPAIYPON-VIFPVBQESA-N 1 2 378.152 2.246 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)s1 ZINC000822803764 653841180 /nfs/dbraw/zinc/84/11/80/653841180.db2.gz RFDMDEGMZCMQND-UHFFFAOYSA-N 1 2 391.559 2.297 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)s1 ZINC000822803764 653841181 /nfs/dbraw/zinc/84/11/81/653841181.db2.gz RFDMDEGMZCMQND-UHFFFAOYSA-N 1 2 391.559 2.297 20 0 GEADLO [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1cc(C(F)(F)F)ccc1O)C2 ZINC000883480856 653842466 /nfs/dbraw/zinc/84/24/66/653842466.db2.gz PGCGUNDAXBVSGO-UHFFFAOYSA-N 1 2 393.412 2.073 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000866882202 653842553 /nfs/dbraw/zinc/84/25/53/653842553.db2.gz JXKVWUKDJCVHPO-HNNXBMFYSA-N 1 2 382.511 2.240 20 0 GEADLO CSCC1(CC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000845351090 653844736 /nfs/dbraw/zinc/84/47/36/653844736.db2.gz JUJAVKSYAWMVCG-UHFFFAOYSA-N 1 2 382.551 2.469 20 0 GEADLO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](C[C@@H]2C[C@@]2(C)Br)CCO1 ZINC000895763153 653849378 /nfs/dbraw/zinc/84/93/78/653849378.db2.gz ZYMXNMKVUODBGZ-MAZHCROVSA-N 1 2 378.307 2.219 20 0 GEADLO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](C[C@@H]2C[C@@]2(C)Br)CCO1 ZINC000895763153 653849375 /nfs/dbraw/zinc/84/93/75/653849375.db2.gz ZYMXNMKVUODBGZ-MAZHCROVSA-N 1 2 378.307 2.219 20 0 GEADLO C[C@H]1C[C@@H](NS(=O)(=O)N=S2(=O)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000866929753 653851152 /nfs/dbraw/zinc/85/11/52/653851152.db2.gz HRAOTMFORMCADF-RDJZCZTQSA-N 1 2 385.555 2.136 20 0 GEADLO C[C@H]1C[C@@H](NS(=O)(=O)N=S2(=O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000866929753 653851154 /nfs/dbraw/zinc/85/11/54/653851154.db2.gz HRAOTMFORMCADF-RDJZCZTQSA-N 1 2 385.555 2.136 20 0 GEADLO C[C@H]1C[C@@H](NS(=O)(=O)c2nc[nH]c2Br)C[N@@H+]1Cc1ccccc1 ZINC000866953184 653854193 /nfs/dbraw/zinc/85/41/93/653854193.db2.gz NXOJCOOFXQIPAU-WCQYABFASA-N 1 2 399.314 2.114 20 0 GEADLO C[C@H]1C[C@@H](NS(=O)(=O)c2nc[nH]c2Br)C[N@H+]1Cc1ccccc1 ZINC000866953184 653854194 /nfs/dbraw/zinc/85/41/94/653854194.db2.gz NXOJCOOFXQIPAU-WCQYABFASA-N 1 2 399.314 2.114 20 0 GEADLO C[C@]12CC[N@H+](CC(=O)NC[C@@H]3COc4ccccc4O3)C[C@H]1C2(Cl)Cl ZINC000792895621 653854887 /nfs/dbraw/zinc/85/48/87/653854887.db2.gz BEKGNEXIZVCBAN-VMGRFDJRSA-N 1 2 385.291 2.458 20 0 GEADLO C[C@]12CC[N@@H+](CC(=O)NC[C@@H]3COc4ccccc4O3)C[C@H]1C2(Cl)Cl ZINC000792895621 653854888 /nfs/dbraw/zinc/85/48/88/653854888.db2.gz BEKGNEXIZVCBAN-VMGRFDJRSA-N 1 2 385.291 2.458 20 0 GEADLO CCOC(=O)c1nc(N2CC[NH+](Cc3cn[nH]c3)CC2)ccc1Br ZINC000895960758 653858776 /nfs/dbraw/zinc/85/87/76/653858776.db2.gz WFCMDNUSZWREJR-UHFFFAOYSA-N 1 2 394.273 2.066 20 0 GEADLO O=C(/C=C\C=C(Cl)Cl)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000896013805 653860972 /nfs/dbraw/zinc/86/09/72/653860972.db2.gz MJVHSWVDHZPUBT-UTCJRWHESA-N 1 2 383.279 2.112 20 0 GEADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000823390048 653866458 /nfs/dbraw/zinc/86/64/58/653866458.db2.gz BEUTXUBOSAJFQK-AWEZNQCLSA-N 1 2 375.485 2.273 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)NCCCCNc1cccc[nH+]1 ZINC000896182846 653867755 /nfs/dbraw/zinc/86/77/55/653867755.db2.gz UYIOTUVNOSQPJR-UHFFFAOYSA-N 1 2 399.236 2.340 20 0 GEADLO Cc1c(C(=O)OCCc2c[nH+]cn2C)nnn1-c1cccc(Br)c1 ZINC000793256497 653872607 /nfs/dbraw/zinc/87/26/07/653872607.db2.gz AUKFLMOVJFXKDZ-UHFFFAOYSA-N 1 2 390.241 2.471 20 0 GEADLO CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N=S1(=O)CCCC1 ZINC000867106487 653879571 /nfs/dbraw/zinc/87/95/71/653879571.db2.gz HHMSVYUCTICHPZ-QGZVFWFLSA-N 1 2 385.555 2.089 20 0 GEADLO CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N=S1(=O)CCCC1 ZINC000867106487 653879573 /nfs/dbraw/zinc/87/95/73/653879573.db2.gz HHMSVYUCTICHPZ-QGZVFWFLSA-N 1 2 385.555 2.089 20 0 GEADLO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3sc(N4CCOCC4)nc3Cl)C[C@@H]21 ZINC000896446401 653880453 /nfs/dbraw/zinc/88/04/53/653880453.db2.gz GILPCRKCAKWFCI-MBNYWOFBSA-N 1 2 385.917 2.264 20 0 GEADLO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3sc(N4CCOCC4)nc3Cl)C[C@@H]21 ZINC000896446401 653880454 /nfs/dbraw/zinc/88/04/54/653880454.db2.gz GILPCRKCAKWFCI-MBNYWOFBSA-N 1 2 385.917 2.264 20 0 GEADLO C[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@H]1CN(C)CC[N@@H+]1C ZINC000896537439 653883045 /nfs/dbraw/zinc/88/30/45/653883045.db2.gz YQEPMKBUBRVKAG-JGGQBBKZSA-N 1 2 396.329 2.066 20 0 GEADLO C[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@H]1CN(C)CC[N@H+]1C ZINC000896537439 653883049 /nfs/dbraw/zinc/88/30/49/653883049.db2.gz YQEPMKBUBRVKAG-JGGQBBKZSA-N 1 2 396.329 2.066 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)CC3OCCCO3)cc2Br)CC1 ZINC000793942456 653889442 /nfs/dbraw/zinc/88/94/42/653889442.db2.gz HCXCEKQGEDBLLZ-UHFFFAOYSA-N 1 2 398.301 2.293 20 0 GEADLO Cc1cn(C(C)(C)C(=O)NCc2nc3cc(Br)cnc3[nH]2)c[nH+]1 ZINC000896679586 653890581 /nfs/dbraw/zinc/89/05/81/653890581.db2.gz MVMNVKAZIVKFDA-UHFFFAOYSA-N 1 2 377.246 2.277 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000793983901 653890632 /nfs/dbraw/zinc/89/06/32/653890632.db2.gz YAWNUZAWEKJHDL-JTQLQIEISA-N 1 2 379.498 2.488 20 0 GEADLO CS(=O)(=O)C[C@H]1CN(c2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000896879341 653897996 /nfs/dbraw/zinc/89/79/96/653897996.db2.gz SQEMGROZSVSAHF-CYBMUJFWSA-N 1 2 385.283 2.247 20 0 GEADLO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)n[nH]c1I ZINC000896881050 653898362 /nfs/dbraw/zinc/89/83/62/653898362.db2.gz BDCKUQOPWJWOFX-MNOVXSKESA-N 1 2 388.253 2.022 20 0 GEADLO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)n[nH]c1I ZINC000896881050 653898365 /nfs/dbraw/zinc/89/83/65/653898365.db2.gz BDCKUQOPWJWOFX-MNOVXSKESA-N 1 2 388.253 2.022 20 0 GEADLO Cc1[nH]c(CNC(=O)CN(C)C(=O)c2ccc(Br)s2)[nH+]c1C ZINC000896924289 653899680 /nfs/dbraw/zinc/89/96/80/653899680.db2.gz VJJCZOTZLUBKEH-UHFFFAOYSA-N 1 2 385.287 2.239 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000824576225 653902082 /nfs/dbraw/zinc/90/20/82/653902082.db2.gz DQFSQSSZHPRFSQ-GFCCVEGCSA-N 1 2 385.258 2.493 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000824576225 653902085 /nfs/dbraw/zinc/90/20/85/653902085.db2.gz DQFSQSSZHPRFSQ-GFCCVEGCSA-N 1 2 385.258 2.493 20 0 GEADLO Cc1cn(C(C)(C)C(=O)NC[C@H](O)COc2ccccc2Br)c[nH+]1 ZINC000897016076 653904043 /nfs/dbraw/zinc/90/40/43/653904043.db2.gz NSUPMMKXXATHRY-ZDUSSCGKSA-N 1 2 396.285 2.245 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000897048696 653904967 /nfs/dbraw/zinc/90/49/67/653904967.db2.gz VTDPKKZTFXVTKY-HNNXBMFYSA-N 1 2 392.253 2.276 20 0 GEADLO CCN1C[C@H](C[NH+]2CCN(Cc3ccc(Br)s3)CC2)OC1=O ZINC000846772747 653909946 /nfs/dbraw/zinc/90/99/46/653909946.db2.gz VDCYEYAZPIAFML-LBPRGKRZSA-N 1 2 388.331 2.469 20 0 GEADLO O=c1oc2cccc(Br)c2n1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000794635576 653914756 /nfs/dbraw/zinc/91/47/56/653914756.db2.gz DQATVQGAIBEAMY-LBPRGKRZSA-N 1 2 392.257 2.318 20 0 GEADLO O=c1oc2cccc(Br)c2n1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000794635576 653914758 /nfs/dbraw/zinc/91/47/58/653914758.db2.gz DQATVQGAIBEAMY-LBPRGKRZSA-N 1 2 392.257 2.318 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)c1cc(Br)ncc1Br ZINC000867332662 653917473 /nfs/dbraw/zinc/91/74/73/653917473.db2.gz XVPSXHZEZDZKQO-UHFFFAOYSA-N 1 2 388.063 2.313 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2nc(Cl)sc2Cl)CC1 ZINC000847487362 653930800 /nfs/dbraw/zinc/93/08/00/653930800.db2.gz DKGHTICCJHEMTO-UHFFFAOYSA-N 1 2 393.340 2.466 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2nc(Cl)sc2Cl)CC1 ZINC000847487362 653930803 /nfs/dbraw/zinc/93/08/03/653930803.db2.gz DKGHTICCJHEMTO-UHFFFAOYSA-N 1 2 393.340 2.466 20 0 GEADLO O=C(COCCc1ccc(Br)cc1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000897730105 653935288 /nfs/dbraw/zinc/93/52/88/653935288.db2.gz JDTPSFMSAWMKEG-HNNXBMFYSA-N 1 2 378.270 2.336 20 0 GEADLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1nc(F)ccc1Br ZINC000847581623 653935737 /nfs/dbraw/zinc/93/57/37/653935737.db2.gz LAMDQEXOOJBNKD-QWHCGFSZSA-N 1 2 386.265 2.356 20 0 GEADLO O=C(c1csc(I)n1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000825731072 653938965 /nfs/dbraw/zinc/93/89/65/653938965.db2.gz CTTAOFKRKPKPGC-UHFFFAOYSA-N 1 2 387.202 2.046 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1nc2cc(Br)ccc2o1)N1CCCC1 ZINC000897828305 653939301 /nfs/dbraw/zinc/93/93/01/653939301.db2.gz SOEBAJZURHESGV-UHFFFAOYSA-N 1 2 388.287 2.106 20 0 GEADLO Cn1cc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)c(Br)n1 ZINC000885683186 653944336 /nfs/dbraw/zinc/94/43/36/653944336.db2.gz GZRNBPVCNBRZOG-UHFFFAOYSA-N 1 2 394.269 2.372 20 0 GEADLO O=C(c1csc(I)n1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000826003864 653945159 /nfs/dbraw/zinc/94/51/59/653945159.db2.gz XZLKXZAVMIREFV-SECBINFHSA-N 1 2 388.234 2.422 20 0 GEADLO CC(C)n1ncc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1I ZINC000867536954 653947855 /nfs/dbraw/zinc/94/78/55/653947855.db2.gz BBZKHILQJDASCQ-JTQLQIEISA-N 1 2 399.236 2.010 20 0 GEADLO COc1cc(I)ccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000867537441 653948055 /nfs/dbraw/zinc/94/80/55/653948055.db2.gz JMJLDCJUCFHZQS-NSHDSACASA-N 1 2 397.216 2.241 20 0 GEADLO COCCOc1ccc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)o1 ZINC000897978851 653948108 /nfs/dbraw/zinc/94/81/08/653948108.db2.gz VFVOCNRVJCCVHU-CYBMUJFWSA-N 1 2 396.241 2.115 20 0 GEADLO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1c(Br)c(C)nn1C ZINC000897987390 653948688 /nfs/dbraw/zinc/94/86/88/653948688.db2.gz PVRZNLIRDPLBNM-JTQLQIEISA-N 1 2 382.262 2.099 20 0 GEADLO O=C1C[C@H](C(F)F)CN1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000795424614 653951494 /nfs/dbraw/zinc/95/14/94/653951494.db2.gz UJASGFJWHQKJDW-JTQLQIEISA-N 1 2 377.233 2.354 20 0 GEADLO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@H]1CC(C)(C)OC1=O ZINC000795709910 653963804 /nfs/dbraw/zinc/96/38/04/653963804.db2.gz LUQWQWJBSGEGGN-JSGCOSHPSA-N 1 2 390.249 2.354 20 0 GEADLO C[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@H]1CC(C)(C)OC1=O ZINC000795709910 653963809 /nfs/dbraw/zinc/96/38/09/653963809.db2.gz LUQWQWJBSGEGGN-JSGCOSHPSA-N 1 2 390.249 2.354 20 0 GEADLO CO[C@@H](C)C[N@H+](C)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000795750257 653964883 /nfs/dbraw/zinc/96/48/83/653964883.db2.gz KYGHKXWKPVOZFM-SJCJKPOMSA-N 1 2 383.286 2.390 20 0 GEADLO CO[C@@H](C)C[N@@H+](C)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000795750257 653964888 /nfs/dbraw/zinc/96/48/88/653964888.db2.gz KYGHKXWKPVOZFM-SJCJKPOMSA-N 1 2 383.286 2.390 20 0 GEADLO CO[C@H](C)C[N@H+](C)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000795750262 653964948 /nfs/dbraw/zinc/96/49/48/653964948.db2.gz KYGHKXWKPVOZFM-SJKOYZFVSA-N 1 2 383.286 2.390 20 0 GEADLO CO[C@H](C)C[N@@H+](C)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000795750262 653964956 /nfs/dbraw/zinc/96/49/56/653964956.db2.gz KYGHKXWKPVOZFM-SJKOYZFVSA-N 1 2 383.286 2.390 20 0 GEADLO CC[C@H](NC(C)=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000867701455 653974357 /nfs/dbraw/zinc/97/43/57/653974357.db2.gz HUEIELUWBVKQBR-HNNXBMFYSA-N 1 2 397.317 2.054 20 0 GEADLO CCc1ncc(C[NH2+][C@H](CO)c2ccccc2I)cn1 ZINC000898513635 653975023 /nfs/dbraw/zinc/97/50/23/653975023.db2.gz WTQKFPCORRKHPZ-CQSZACIVSA-N 1 2 383.233 2.467 20 0 GEADLO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000886294740 653977851 /nfs/dbraw/zinc/97/78/51/653977851.db2.gz NBWJJUSDGIULDA-RNCFNFMXSA-N 1 2 375.281 2.097 20 0 GEADLO Cc1nsc(C)c1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000795928892 653978096 /nfs/dbraw/zinc/97/80/96/653978096.db2.gz ADNCXNIXCRGEOE-UHFFFAOYSA-N 1 2 379.507 2.323 20 0 GEADLO Cc1nccc(NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)c1Br ZINC000886402644 653981311 /nfs/dbraw/zinc/98/13/11/653981311.db2.gz SRZAWZCMEFLBHK-UHFFFAOYSA-N 1 2 396.310 2.363 20 0 GEADLO Cc1nccc(NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)c1Br ZINC000886402644 653981312 /nfs/dbraw/zinc/98/13/12/653981312.db2.gz SRZAWZCMEFLBHK-UHFFFAOYSA-N 1 2 396.310 2.363 20 0 GEADLO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848513385 653985748 /nfs/dbraw/zinc/98/57/48/653985748.db2.gz LOHINUFSJUJRFW-LBPRGKRZSA-N 1 2 394.324 2.264 20 0 GEADLO CC[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000886468789 653988373 /nfs/dbraw/zinc/98/83/73/653988373.db2.gz QVUSKLRYUBAQNX-GFCCVEGCSA-N 1 2 389.905 2.022 20 0 GEADLO CC[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000886468789 653988375 /nfs/dbraw/zinc/98/83/75/653988375.db2.gz QVUSKLRYUBAQNX-GFCCVEGCSA-N 1 2 389.905 2.022 20 0 GEADLO CC[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000886470523 653988776 /nfs/dbraw/zinc/98/87/76/653988776.db2.gz QCPFDRMOOQDHAM-LLVKDONJSA-N 1 2 377.869 2.152 20 0 GEADLO CC[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000886470523 653988781 /nfs/dbraw/zinc/98/87/81/653988781.db2.gz QCPFDRMOOQDHAM-LLVKDONJSA-N 1 2 377.869 2.152 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(c2cc(SCc3ccccc3)ncn2)CC1 ZINC000848667711 653990593 /nfs/dbraw/zinc/99/05/93/653990593.db2.gz LAOVKLZOZDNAKT-VWLOTQADSA-N 1 2 376.551 2.269 20 0 GEADLO Cc1cc(C)c(C(=O)N[C@H](CO)c2c[nH+]cn2C)cc1I ZINC000898896830 653991415 /nfs/dbraw/zinc/99/14/15/653991415.db2.gz WZHOEPYBUOMDOK-CYBMUJFWSA-N 1 2 399.232 2.105 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)Cc3ccc(F)c(Br)c3)CC2)CC1 ZINC000827463237 653993387 /nfs/dbraw/zinc/99/33/87/653993387.db2.gz ZIQRQYFASVGHOW-UHFFFAOYSA-N 1 2 398.320 2.369 20 0 GEADLO O=c1[nH]ccn2c(C[NH2+][C@H]3CCc4c3ccc(F)c4Br)nnc12 ZINC000886704696 653995667 /nfs/dbraw/zinc/99/56/67/653995667.db2.gz MRFRPDXOFMMWRY-NSHDSACASA-N 1 2 378.205 2.096 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000899063864 653998217 /nfs/dbraw/zinc/99/82/17/653998217.db2.gz MOPQNYYPKXDZGC-JKSUJKDBSA-N 1 2 395.297 2.118 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000899063864 653998221 /nfs/dbraw/zinc/99/82/21/653998221.db2.gz MOPQNYYPKXDZGC-JKSUJKDBSA-N 1 2 395.297 2.118 20 0 GEADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000867910803 654006571 /nfs/dbraw/zinc/00/65/71/654006571.db2.gz AYIVBGGUZOBODC-HIFRSBDPSA-N 1 2 379.258 2.309 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3cc(Br)cnc3C3CC3)CC[NH2+]2)cn1 ZINC000827909759 654012543 /nfs/dbraw/zinc/01/25/43/654012543.db2.gz ATGWPUCOGVHVTI-OAHLLOKOSA-N 1 2 390.285 2.242 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CCOc2c(Br)cccc21 ZINC000868066840 654016619 /nfs/dbraw/zinc/01/66/19/654016619.db2.gz QABMQNAEWFJIIZ-IJJSQOHJSA-N 1 2 381.270 2.277 20 0 GEADLO CO[C@H](CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C(F)(F)F ZINC000868251558 654025147 /nfs/dbraw/zinc/02/51/47/654025147.db2.gz TWCSTTVTKGVMRN-GFCCVEGCSA-N 1 2 378.420 2.011 20 0 GEADLO C[C@H](CNC(=O)c1csc(I)n1)Cn1cc[nH+]c1 ZINC000828404719 654035216 /nfs/dbraw/zinc/03/52/16/654035216.db2.gz SJSJZBZMYXLSRN-MRVPVSSYSA-N 1 2 376.223 2.010 20 0 GEADLO O=C(NCc1ccc(C(F)(F)F)s1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000828813793 654052056 /nfs/dbraw/zinc/05/20/56/654052056.db2.gz CMWKKGTUEIRYHD-YPMHNXCESA-N 1 2 378.416 2.263 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)c1cnc(Cl)c(F)c1)[NH+]1CCOCC1 ZINC000798225985 654055135 /nfs/dbraw/zinc/05/51/35/654055135.db2.gz ULYFZHFSTKLKFR-HNNXBMFYSA-N 1 2 393.912 2.289 20 0 GEADLO O=C(CCCC[NH+]1CCOCC1)OCC(=O)c1ccc(Br)cn1 ZINC000849769909 654055648 /nfs/dbraw/zinc/05/56/48/654055648.db2.gz HLCRXYVHBBWLEE-UHFFFAOYSA-N 1 2 385.258 2.073 20 0 GEADLO COc1ccc(Br)cc1C1(NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000869063480 654068076 /nfs/dbraw/zinc/06/80/76/654068076.db2.gz NOLNMCKVNJKEOG-NSCUHMNNSA-N 1 2 395.297 2.451 20 0 GEADLO C/C(=C\C(=O)N1CCC(n2cc(Br)cn2)CC1)C[NH+]1CCOCC1 ZINC000900643861 654074450 /nfs/dbraw/zinc/07/44/50/654074450.db2.gz DVAKBUDINDYJOR-GXDHUFHOSA-N 1 2 397.317 2.088 20 0 GEADLO Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)s1 ZINC000900800162 654081280 /nfs/dbraw/zinc/08/12/80/654081280.db2.gz BMELSXAEGRCYNL-TZMCWYRMSA-N 1 2 378.567 2.473 20 0 GEADLO Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)s1 ZINC000900800162 654081285 /nfs/dbraw/zinc/08/12/85/654081285.db2.gz BMELSXAEGRCYNL-TZMCWYRMSA-N 1 2 378.567 2.473 20 0 GEADLO O=C(c1cc2ncc(Br)cn2n1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000900985365 654101118 /nfs/dbraw/zinc/10/11/18/654101118.db2.gz XDTZTMUDDYHJRZ-UHFFFAOYSA-N 1 2 375.230 2.235 20 0 GEADLO O=C(c1cc2ncc(Br)cn2n1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000900985365 654101122 /nfs/dbraw/zinc/10/11/22/654101122.db2.gz XDTZTMUDDYHJRZ-UHFFFAOYSA-N 1 2 375.230 2.235 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@]34C[C@H]3COC4)[nH+]c12 ZINC000888801610 654105489 /nfs/dbraw/zinc/10/54/89/654105489.db2.gz HRRHJUDAGFXCJB-ZBEGNZNMSA-N 1 2 379.258 2.036 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000830498563 654121737 /nfs/dbraw/zinc/12/17/37/654121737.db2.gz LFHBQLPUCJWRKF-CYBMUJFWSA-N 1 2 388.295 2.425 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000830498563 654121741 /nfs/dbraw/zinc/12/17/41/654121741.db2.gz LFHBQLPUCJWRKF-CYBMUJFWSA-N 1 2 388.295 2.425 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000830498565 654121823 /nfs/dbraw/zinc/12/18/23/654121823.db2.gz LFHBQLPUCJWRKF-ZDUSSCGKSA-N 1 2 388.295 2.425 20 0 GEADLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000830498565 654121828 /nfs/dbraw/zinc/12/18/28/654121828.db2.gz LFHBQLPUCJWRKF-ZDUSSCGKSA-N 1 2 388.295 2.425 20 0 GEADLO CCOC(=O)[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc(OC)c(Br)c1 ZINC000901355727 654122172 /nfs/dbraw/zinc/12/21/72/654122172.db2.gz HCFBHRCGVKDKEP-HNNXBMFYSA-N 1 2 396.241 2.144 20 0 GEADLO C[C@H](NC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000889193588 654128370 /nfs/dbraw/zinc/12/83/70/654128370.db2.gz OTEPCJGIZHVKMT-IUCAKERBSA-N 1 2 383.802 2.323 20 0 GEADLO COCC[NH+]1CCN(C(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1 ZINC000917629737 654129444 /nfs/dbraw/zinc/12/94/44/654129444.db2.gz XYQCEMFFAOQNFP-MRXNPFEDSA-N 1 2 386.279 2.277 20 0 GEADLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000901728942 654144480 /nfs/dbraw/zinc/14/44/80/654144480.db2.gz QBIAAKGEZMSWLU-KBPBESRZSA-N 1 2 396.260 2.473 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)C[C@H]1C ZINC000830945252 654151315 /nfs/dbraw/zinc/15/13/15/654151315.db2.gz YBFGWVBGXFDDAZ-SECBINFHSA-N 1 2 382.711 2.212 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)C[C@H]1C ZINC000830945252 654151318 /nfs/dbraw/zinc/15/13/18/654151318.db2.gz YBFGWVBGXFDDAZ-SECBINFHSA-N 1 2 382.711 2.212 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC(O)(c2cccc(Br)c2)C1 ZINC000870232780 654152115 /nfs/dbraw/zinc/15/21/15/654152115.db2.gz WFUHOCZHKCZHRA-UHFFFAOYSA-N 1 2 390.281 2.254 20 0 GEADLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2c[nH]nc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000830972192 654153844 /nfs/dbraw/zinc/15/38/44/654153844.db2.gz ITQXKZWJACMBPV-YPMHNXCESA-N 1 2 375.281 2.440 20 0 GEADLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2c[nH]nc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000830972192 654153849 /nfs/dbraw/zinc/15/38/49/654153849.db2.gz ITQXKZWJACMBPV-YPMHNXCESA-N 1 2 375.281 2.440 20 0 GEADLO CN(C)C(=O)CNC(=S)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000918720212 654159242 /nfs/dbraw/zinc/15/92/42/654159242.db2.gz YERJWIUFRUWJQQ-CQSZACIVSA-N 1 2 386.924 2.168 20 0 GEADLO Cc1cc(C)cc(-n2ccn(C[N@@H+]3CC[C@@H](CS(N)(=O)=O)C3)c2=S)c1 ZINC000902522684 654181233 /nfs/dbraw/zinc/18/12/33/654181233.db2.gz GKFDBCYBSSBUIA-OAHLLOKOSA-N 1 2 380.539 2.193 20 0 GEADLO Cc1cc(C)cc(-n2ccn(C[N@H+]3CC[C@@H](CS(N)(=O)=O)C3)c2=S)c1 ZINC000902522684 654181236 /nfs/dbraw/zinc/18/12/36/654181236.db2.gz GKFDBCYBSSBUIA-OAHLLOKOSA-N 1 2 380.539 2.193 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851836650 654188126 /nfs/dbraw/zinc/18/81/26/654188126.db2.gz WFVIJPZJSFAFOJ-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851836650 654188127 /nfs/dbraw/zinc/18/81/27/654188127.db2.gz WFVIJPZJSFAFOJ-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000890043438 654194114 /nfs/dbraw/zinc/19/41/14/654194114.db2.gz KXPXDCAURFGRQY-SNVBAGLBSA-N 1 2 395.232 2.276 20 0 GEADLO C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000870943786 654211668 /nfs/dbraw/zinc/21/16/68/654211668.db2.gz VMGLTPZPIIMCHO-KDOFPFPSSA-N 1 2 392.297 2.318 20 0 GEADLO C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000870943841 654211687 /nfs/dbraw/zinc/21/16/87/654211687.db2.gz WZEFPZSCJIDFPM-KDOFPFPSSA-N 1 2 392.297 2.318 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCOc3ccc(Br)cc3C2)CCO1 ZINC000802076204 654214550 /nfs/dbraw/zinc/21/45/50/654214550.db2.gz FOLNIWRVCPHUGB-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCOc3ccc(Br)cc3C2)CCO1 ZINC000802076204 654214554 /nfs/dbraw/zinc/21/45/54/654214554.db2.gz FOLNIWRVCPHUGB-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO O=C(COc1ccc(I)cc1)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802239311 654223826 /nfs/dbraw/zinc/22/38/26/654223826.db2.gz TXBVEOPDBSULBM-ZDUSSCGKSA-N 1 2 393.196 2.257 20 0 GEADLO O=C(COc1ccc(I)cc1)O[C@H]1CC[N@H+](CCF)C1 ZINC000802239311 654223833 /nfs/dbraw/zinc/22/38/33/654223833.db2.gz TXBVEOPDBSULBM-ZDUSSCGKSA-N 1 2 393.196 2.257 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)NCCS(=O)(=O)CC1CC1)c1ccc(Cl)cc1 ZINC000802253633 654224818 /nfs/dbraw/zinc/22/48/18/654224818.db2.gz FYASAYDBTBRNIZ-INIZCTEOSA-N 1 2 387.933 2.067 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1F ZINC000903208439 654227196 /nfs/dbraw/zinc/22/71/96/654227196.db2.gz LXFUCXYOWXYJGV-SNVBAGLBSA-N 1 2 393.278 2.066 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCc3ncccn3)[nH+]c12 ZINC000852251539 654228287 /nfs/dbraw/zinc/22/82/87/654228287.db2.gz QAWHYDXACPFSCD-UHFFFAOYSA-N 1 2 389.257 2.237 20 0 GEADLO C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1nc(Br)ccc1F ZINC000903290759 654232426 /nfs/dbraw/zinc/23/24/26/654232426.db2.gz FDGMEYPDRSVVCX-JTQLQIEISA-N 1 2 380.283 2.059 20 0 GEADLO C[C@@](CO)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc(Br)c1 ZINC000890630419 654233115 /nfs/dbraw/zinc/23/31/15/654233115.db2.gz NJDBDIPXGKLZKK-SJCJKPOMSA-N 1 2 378.270 2.232 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@](C)(CO)c1cccc(Br)c1 ZINC000890630443 654233221 /nfs/dbraw/zinc/23/32/21/654233221.db2.gz NRUBLCOKPYMKIM-CKEIUWERSA-N 1 2 378.270 2.310 20 0 GEADLO C[C@](CO)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000890630675 654233232 /nfs/dbraw/zinc/23/32/32/654233232.db2.gz QTLGLYSHLBGGDW-SJKOYZFVSA-N 1 2 378.270 2.232 20 0 GEADLO CC[N@H+](CCOC)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000921045784 654233570 /nfs/dbraw/zinc/23/35/70/654233570.db2.gz DXGLNJMRZIEITG-MRXNPFEDSA-N 1 2 384.274 2.142 20 0 GEADLO CC[N@@H+](CCOC)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000921045784 654233575 /nfs/dbraw/zinc/23/35/75/654233575.db2.gz DXGLNJMRZIEITG-MRXNPFEDSA-N 1 2 384.274 2.142 20 0 GEADLO CCCNC(=O)C[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000921489843 654273816 /nfs/dbraw/zinc/27/38/16/654273816.db2.gz SJVQGKNTJKQCLG-UHFFFAOYSA-N 1 2 382.100 2.044 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2cc(F)ccc2OC(F)F)n1 ZINC000921092984 654235355 /nfs/dbraw/zinc/23/53/55/654235355.db2.gz KBKBAQMTRIEDLK-UHFFFAOYSA-N 1 2 395.428 2.424 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)CCCOCc2ccccc2)n1 ZINC000921093997 654235580 /nfs/dbraw/zinc/23/55/80/654235580.db2.gz VURWWDOVQANEFX-UHFFFAOYSA-N 1 2 383.539 2.231 20 0 GEADLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000852432139 654238501 /nfs/dbraw/zinc/23/85/01/654238501.db2.gz XIJFRSHPRWIEGM-GFCCVEGCSA-N 1 2 383.242 2.247 20 0 GEADLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000852432139 654238505 /nfs/dbraw/zinc/23/85/05/654238505.db2.gz XIJFRSHPRWIEGM-GFCCVEGCSA-N 1 2 383.242 2.247 20 0 GEADLO Cc1nc(Br)sc1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000832171979 654241991 /nfs/dbraw/zinc/24/19/91/654241991.db2.gz XLAZCAPFEGZDRE-UHFFFAOYSA-N 1 2 382.287 2.275 20 0 GEADLO Clc1ncsc1Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000871652843 654249837 /nfs/dbraw/zinc/24/98/37/654249837.db2.gz HAILHKZXLZSDLK-ZDUSSCGKSA-N 1 2 376.873 2.405 20 0 GEADLO Clc1ncsc1Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000871652843 654249853 /nfs/dbraw/zinc/24/98/53/654249853.db2.gz HAILHKZXLZSDLK-ZDUSSCGKSA-N 1 2 376.873 2.405 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)C[C@H](C)[N@H+]1CCO ZINC000832318221 654259307 /nfs/dbraw/zinc/25/93/07/654259307.db2.gz WYJLYYXQJIXYEV-TXEJJXNPSA-N 1 2 398.472 2.374 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)C[C@H](C)[N@@H+]1CCO ZINC000832318221 654259317 /nfs/dbraw/zinc/25/93/17/654259317.db2.gz WYJLYYXQJIXYEV-TXEJJXNPSA-N 1 2 398.472 2.374 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(c2nc3cccc(OC(F)F)c3s2)CC1 ZINC000853368936 654293802 /nfs/dbraw/zinc/29/38/02/654293802.db2.gz DISKRDPQVRZZAC-XMMPIXPASA-N 1 2 375.466 2.398 20 0 GEADLO Cc1n[nH]nc1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804270168 654304274 /nfs/dbraw/zinc/30/42/74/654304274.db2.gz MXPGSFNMVGHAHY-UHFFFAOYSA-N 1 2 379.218 2.008 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000853561143 654304322 /nfs/dbraw/zinc/30/43/22/654304322.db2.gz ZVLAJNWWHSMOEN-BXKDBHETSA-N 1 2 398.232 2.054 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000853561143 654304330 /nfs/dbraw/zinc/30/43/30/654304330.db2.gz ZVLAJNWWHSMOEN-BXKDBHETSA-N 1 2 398.232 2.054 20 0 GEADLO O=C(Oc1ccc(F)c(Br)c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000904180725 654304349 /nfs/dbraw/zinc/30/43/49/654304349.db2.gz CSXYDWISVCTWOL-DOMZBBRYSA-N 1 2 388.233 2.373 20 0 GEADLO C[C@]12CC[N@H+](Cc3ccc(N)nn3)C[C@H]1C2(Br)Br ZINC000904377770 654308931 /nfs/dbraw/zinc/30/89/31/654308931.db2.gz YNTLYGRSKVKBBV-KOLCDFICSA-N 1 2 376.096 2.387 20 0 GEADLO C[C@]12CC[N@@H+](Cc3ccc(N)nn3)C[C@H]1C2(Br)Br ZINC000904377770 654308934 /nfs/dbraw/zinc/30/89/34/654308934.db2.gz YNTLYGRSKVKBBV-KOLCDFICSA-N 1 2 376.096 2.387 20 0 GEADLO Cc1cc(Br)c(CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)s1 ZINC000853607330 654309316 /nfs/dbraw/zinc/30/93/16/654309316.db2.gz XLCRMIYJUUTODZ-SNVBAGLBSA-N 1 2 376.320 2.339 20 0 GEADLO Cc1cc(Br)c(CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)s1 ZINC000853607330 654309318 /nfs/dbraw/zinc/30/93/18/654309318.db2.gz XLCRMIYJUUTODZ-SNVBAGLBSA-N 1 2 376.320 2.339 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(c2cc(Br)cnc2Br)CC1 ZINC000804521235 654312343 /nfs/dbraw/zinc/31/23/43/654312343.db2.gz MBRDKRMBUAAJAG-LLVKDONJSA-N 1 2 393.123 2.500 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)NCC1(c2ccc(Br)cc2)CC1 ZINC000834311349 654314679 /nfs/dbraw/zinc/31/46/79/654314679.db2.gz GXNYBHBYYVQQCY-OWOJBTEDSA-N 1 2 379.298 2.485 20 0 GEADLO [NH3+][C@H](Cc1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1)C(F)F ZINC000904651755 654314919 /nfs/dbraw/zinc/31/49/19/654314919.db2.gz IQYNRFLUTPSWSM-MRVPVSSYSA-N 1 2 386.207 2.485 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3COC[C@H]3C)[nH+]c12 ZINC000921938458 654345279 /nfs/dbraw/zinc/34/52/79/654345279.db2.gz FVXSXALMQDBGIQ-BXUZGUMPSA-N 1 2 381.274 2.282 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(c2ccnc(CSc3ccccc3)n2)CC1 ZINC000892654869 654356257 /nfs/dbraw/zinc/35/62/57/654356257.db2.gz MXPBUKBKUFAVCH-VWLOTQADSA-N 1 2 376.551 2.269 20 0 GEADLO Cn1nc(Br)cc1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000854412179 654359545 /nfs/dbraw/zinc/35/95/45/654359545.db2.gz KPOXJCBDPKGCSO-UHFFFAOYSA-N 1 2 398.330 2.417 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3nc4ccc(Br)cc4s3)C[C@@H]2N1 ZINC000835057518 654360202 /nfs/dbraw/zinc/36/02/02/654360202.db2.gz VCPPCMKPPGVIEU-RYUDHWBXSA-N 1 2 382.283 2.148 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3nc4ccc(Br)cc4s3)C[C@@H]2N1 ZINC000835057518 654360205 /nfs/dbraw/zinc/36/02/05/654360205.db2.gz VCPPCMKPPGVIEU-RYUDHWBXSA-N 1 2 382.283 2.148 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cnn(C(C)(C)C)c1Br ZINC000854425224 654360347 /nfs/dbraw/zinc/36/03/47/654360347.db2.gz ZKRYHFIGTMEMCT-CHWSQXEVSA-N 1 2 399.333 2.336 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)NC1(c2ncc(Br)cn2)CCC1 ZINC000922075430 654363529 /nfs/dbraw/zinc/36/35/29/654363529.db2.gz CLEFEWZLVGGFIO-GFCCVEGCSA-N 1 2 391.273 2.129 20 0 GEADLO C[C@H]1CC[N@H+](Cn2c(=O)oc3cc(I)ccc32)CCO1 ZINC000905743288 654378431 /nfs/dbraw/zinc/37/84/31/654378431.db2.gz NBPSNCMESIJBLT-JTQLQIEISA-N 1 2 388.205 2.267 20 0 GEADLO C[C@H]1CC[N@@H+](Cn2c(=O)oc3cc(I)ccc32)CCO1 ZINC000905743288 654378436 /nfs/dbraw/zinc/37/84/36/654378436.db2.gz NBPSNCMESIJBLT-JTQLQIEISA-N 1 2 388.205 2.267 20 0 GEADLO Cc1nc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)sc1Br ZINC000922244287 654378896 /nfs/dbraw/zinc/37/88/96/654378896.db2.gz TYSOTWCHQSZQOL-UHFFFAOYSA-N 1 2 381.239 2.281 20 0 GEADLO CC(C)(C)n1ncc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1Br ZINC000854730378 654379607 /nfs/dbraw/zinc/37/96/07/654379607.db2.gz JOHNNNXCUQAICU-CYBMUJFWSA-N 1 2 399.333 2.337 20 0 GEADLO C[NH+](C)Cc1csc(CN[C@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000905849621 654384587 /nfs/dbraw/zinc/38/45/87/654384587.db2.gz IZGKBLZRKKUVDZ-AWEZNQCLSA-N 1 2 383.315 2.283 20 0 GEADLO O=c1oc2cc(Br)ccc2n1C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000872687487 654390873 /nfs/dbraw/zinc/39/08/73/654390873.db2.gz IJUQQEZHGFSGHP-WCBMZHEXSA-N 1 2 395.175 2.417 20 0 GEADLO O=c1oc2cc(Br)ccc2n1C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000872687487 654390874 /nfs/dbraw/zinc/39/08/74/654390874.db2.gz IJUQQEZHGFSGHP-WCBMZHEXSA-N 1 2 395.175 2.417 20 0 GEADLO CC(C)Cn1c(CCC(N)=O)nn(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c1=S ZINC000872722783 654392868 /nfs/dbraw/zinc/39/28/68/654392868.db2.gz UYTLCKNGSUVQEA-KBPBESRZSA-N 1 2 383.587 2.130 20 0 GEADLO CC(C)Cn1c(CCC(N)=O)nn(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1=S ZINC000872722783 654392876 /nfs/dbraw/zinc/39/28/76/654392876.db2.gz UYTLCKNGSUVQEA-KBPBESRZSA-N 1 2 383.587 2.130 20 0 GEADLO CCN1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1=O ZINC000922639930 654405438 /nfs/dbraw/zinc/40/54/38/654405438.db2.gz SXSAGWYOCIUMBB-AWEZNQCLSA-N 1 2 378.274 2.130 20 0 GEADLO CCN1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1=O ZINC000922639932 654405470 /nfs/dbraw/zinc/40/54/70/654405470.db2.gz SXSAGWYOCIUMBB-CQSZACIVSA-N 1 2 378.274 2.130 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Cl)ncc2Br)[C@H](C)CO1 ZINC000855408815 654417550 /nfs/dbraw/zinc/41/75/50/654417550.db2.gz YTQOTZMURUIWJI-NXEZZACHSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Cl)ncc2Br)[C@H](C)CO1 ZINC000855408815 654417553 /nfs/dbraw/zinc/41/75/53/654417553.db2.gz YTQOTZMURUIWJI-NXEZZACHSA-N 1 2 376.682 2.337 20 0 GEADLO CCc1onc(C)c1C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000922989210 654423249 /nfs/dbraw/zinc/42/32/49/654423249.db2.gz YZJLTFSESVDBIM-LBPRGKRZSA-N 1 2 386.905 2.353 20 0 GEADLO CSc1ccc(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)o1 ZINC000893913515 654431355 /nfs/dbraw/zinc/43/13/55/654431355.db2.gz UDPFYRUOWRRYIS-UHFFFAOYSA-N 1 2 376.507 2.389 20 0 GEADLO CN(CC(F)F)C1CC[NH+](Cc2cn(C)nc2I)CC1 ZINC000894071572 654444080 /nfs/dbraw/zinc/44/40/80/654444080.db2.gz OBKQLKHCAJDOOL-UHFFFAOYSA-N 1 2 398.239 2.186 20 0 GEADLO Cn1cc(CN2CCC([N@H+](C)CC(F)F)CC2)c(I)n1 ZINC000894071572 654444076 /nfs/dbraw/zinc/44/40/76/654444076.db2.gz OBKQLKHCAJDOOL-UHFFFAOYSA-N 1 2 398.239 2.186 20 0 GEADLO Cn1cc(CN2CCC([N@@H+](C)CC(F)F)CC2)c(I)n1 ZINC000894071572 654444078 /nfs/dbraw/zinc/44/40/78/654444078.db2.gz OBKQLKHCAJDOOL-UHFFFAOYSA-N 1 2 398.239 2.186 20 0 GEADLO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2nc(Br)nn2C)cc1 ZINC000894154465 654451103 /nfs/dbraw/zinc/45/11/03/654451103.db2.gz YZVQFGROWDLLMI-HNNXBMFYSA-N 1 2 394.317 2.049 20 0 GEADLO COc1cc(Br)ccc1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000873773694 654461614 /nfs/dbraw/zinc/46/16/14/654461614.db2.gz ZJTLUVLYGWGERD-UHFFFAOYSA-N 1 2 395.257 2.141 20 0 GEADLO O=C(c1cccn2ncc(Br)c12)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000906826844 654476423 /nfs/dbraw/zinc/47/64/23/654476423.db2.gz QSZHJYILNZBIAA-CYBMUJFWSA-N 1 2 393.285 2.034 20 0 GEADLO O=C(OCc1nc(C(F)(F)F)cs1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923774891 654483461 /nfs/dbraw/zinc/48/34/61/654483461.db2.gz DFCZZZCKAVUZPJ-MNOVXSKESA-N 1 2 380.388 2.085 20 0 GEADLO Brc1cncc(-c2noc([C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)n2)c1 ZINC000923811838 654484533 /nfs/dbraw/zinc/48/45/33/654484533.db2.gz SPELASMKMUWWIO-KGLIPLIRSA-N 1 2 395.257 2.446 20 0 GEADLO Cc1noc(C[C@@H]([NH2+]Cc2nc(Br)nn2C)c2ccccc2)n1 ZINC000894567597 654487021 /nfs/dbraw/zinc/48/70/21/654487021.db2.gz SGEILDIASPJITL-GFCCVEGCSA-N 1 2 377.246 2.343 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000894666889 654493290 /nfs/dbraw/zinc/49/32/90/654493290.db2.gz KNBBYOPMRPBOHS-STQMWFEESA-N 1 2 384.489 2.434 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000894666889 654493291 /nfs/dbraw/zinc/49/32/91/654493291.db2.gz KNBBYOPMRPBOHS-STQMWFEESA-N 1 2 384.489 2.434 20 0 GEADLO NC(=O)[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3-c2cccc(Br)c2)C1 ZINC000894731795 654495888 /nfs/dbraw/zinc/49/58/88/654495888.db2.gz WITOHKXZMYTIMN-HOMQSWHASA-N 1 2 387.241 2.254 20 0 GEADLO COC(=O)c1ccc(C[NH2+]Cc2cn(C)nc2I)cc1 ZINC000894764053 654497770 /nfs/dbraw/zinc/49/77/70/654497770.db2.gz RMTPWOAOPPFLPI-UHFFFAOYSA-N 1 2 385.205 2.101 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CCO1 ZINC000924129555 654501827 /nfs/dbraw/zinc/50/18/27/654501827.db2.gz HSDLBWHSOVFEIN-FZMZJTMJSA-N 1 2 397.269 2.139 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CCO1 ZINC000924129555 654501835 /nfs/dbraw/zinc/50/18/35/654501835.db2.gz HSDLBWHSOVFEIN-FZMZJTMJSA-N 1 2 397.269 2.139 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1cnnn1-c1ccccc1Br ZINC000907046255 654503446 /nfs/dbraw/zinc/50/34/46/654503446.db2.gz AVZGDJOQWHKDEQ-UHFFFAOYSA-N 1 2 389.257 2.389 20 0 GEADLO C[C@H]([NH2+]Cc1nc(Br)nn1C)C(=O)N1c2ccccc2C[C@H]1C ZINC000894917003 654505468 /nfs/dbraw/zinc/50/54/68/654505468.db2.gz MLYLQEDPQIVLQG-MNOVXSKESA-N 1 2 378.274 2.034 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000924367898 654511363 /nfs/dbraw/zinc/51/13/63/654511363.db2.gz CIIBWTOLKPWGMW-NSHDSACASA-N 1 2 396.237 2.433 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)c1 ZINC000907239893 654522582 /nfs/dbraw/zinc/52/25/82/654522582.db2.gz WNSNZEOKHCYAOW-INIZCTEOSA-N 1 2 398.326 2.202 20 0 GEADLO Cc1cc(Br)cn2cc(CCN3C(=O)[C@@H]4CSCN4C3=O)[nH+]c12 ZINC000924758481 654523745 /nfs/dbraw/zinc/52/37/45/654523745.db2.gz XWNMXRZCRWNYEB-LBPRGKRZSA-N 1 2 395.282 2.285 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)N2CCC(CO)(C(F)(F)F)CC2)n1 ZINC000924787643 654524739 /nfs/dbraw/zinc/52/47/39/654524739.db2.gz GHIKZEBNRFAHEL-UHFFFAOYSA-N 1 2 380.436 2.051 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2c[nH]c3ncc(Cl)cc23)n1 ZINC000907410629 654540012 /nfs/dbraw/zinc/54/00/12/654540012.db2.gz DLTJRTQJKMOODK-UHFFFAOYSA-N 1 2 385.902 2.213 20 0 GEADLO CO[C@@]1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCSC1 ZINC000925366385 654542924 /nfs/dbraw/zinc/54/29/24/654542924.db2.gz IEGMQCRTKFNTOX-GRDNDAEWSA-N 1 2 387.546 2.482 20 0 GEADLO CO[C@@]1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCSC1 ZINC000925366385 654542926 /nfs/dbraw/zinc/54/29/26/654542926.db2.gz IEGMQCRTKFNTOX-GRDNDAEWSA-N 1 2 387.546 2.482 20 0 GEADLO C[C@@H]1COC[C@@H]1NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000926014292 654556213 /nfs/dbraw/zinc/55/62/13/654556213.db2.gz MVFVGCRJPIBSSU-OCCSQVGLSA-N 1 2 397.273 2.485 20 0 GEADLO C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)C(F)(F)c1ccc(Br)cc1 ZINC000926573864 654575508 /nfs/dbraw/zinc/57/55/08/654575508.db2.gz QSTAQHCRTGJWJC-ZWNOBZJWSA-N 1 2 375.217 2.172 20 0 GEADLO CN1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC[N@H+](C)CC1 ZINC000907787396 654579088 /nfs/dbraw/zinc/57/90/88/654579088.db2.gz WBJUQEMIJUBEQF-UHFFFAOYSA-N 1 2 399.866 2.227 20 0 GEADLO CN1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC[N@@H+](C)CC1 ZINC000907787396 654579092 /nfs/dbraw/zinc/57/90/92/654579092.db2.gz WBJUQEMIJUBEQF-UHFFFAOYSA-N 1 2 399.866 2.227 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC000927110691 654593224 /nfs/dbraw/zinc/59/32/24/654593224.db2.gz WCAXNGOWNRIXAY-UHFFFAOYSA-N 1 2 381.278 2.063 20 0 GEADLO CCCS(=O)(=O)c1ccccc1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927770930 654613282 /nfs/dbraw/zinc/61/32/82/654613282.db2.gz FEELYMJZVCGHHQ-UHFFFAOYSA-N 1 2 381.523 2.318 20 0 GEADLO Cc1[nH]c(=O)c(C(=O)NCc2nc(C[NH+](C)C)cs2)cc1Br ZINC000927769770 654613398 /nfs/dbraw/zinc/61/33/98/654613398.db2.gz UUCCPMOOIZXREC-UHFFFAOYSA-N 1 2 385.287 2.306 20 0 GEADLO C/C(=C/C(=O)N1CCC[C@H]1c1ncc(Br)cn1)C[NH+]1CCOCC1 ZINC000928355181 654641667 /nfs/dbraw/zinc/64/16/67/654641667.db2.gz AOSRVGUSGGTLGK-CTXBLAANSA-N 1 2 395.301 2.181 20 0 GEADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928357243 654642645 /nfs/dbraw/zinc/64/26/45/654642645.db2.gz GXCCNLXCADYRKL-WCQYABFASA-N 1 2 376.258 2.362 20 0 GEADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928357971 654642858 /nfs/dbraw/zinc/64/28/58/654642858.db2.gz LASVHILOLCCXNB-RISCZKNCSA-N 1 2 376.258 2.362 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cc2c(cc1Br)OCO2 ZINC000928647688 654654112 /nfs/dbraw/zinc/65/41/12/654654112.db2.gz IXWQAQZXJRLRKX-LLVKDONJSA-N 1 2 385.258 2.018 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000909705032 654672497 /nfs/dbraw/zinc/67/24/97/654672497.db2.gz SAZDWYNSZSFVGL-DGCLKSJQSA-N 1 2 397.269 2.139 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC000929200434 654675612 /nfs/dbraw/zinc/67/56/12/654675612.db2.gz ICWQUKFDKUTZMO-XJKCOSOUSA-N 1 2 383.945 2.459 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@H](c2cccs2)C2CC2)n1 ZINC000929275027 654677651 /nfs/dbraw/zinc/67/76/51/654677651.db2.gz FEEPERXLWKJBEF-HNNXBMFYSA-N 1 2 378.523 2.150 20 0 GEADLO Cn1c(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc2cc(Br)cnc21 ZINC000929340132 654680312 /nfs/dbraw/zinc/68/03/12/654680312.db2.gz LZAQEQIKGIALPY-UHFFFAOYSA-N 1 2 395.301 2.176 20 0 GEADLO O=C(NCC1(Br)CC1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000910188139 654690978 /nfs/dbraw/zinc/69/09/78/654690978.db2.gz IIIXOAOTFWMHFI-AWEZNQCLSA-N 1 2 397.317 2.061 20 0 GEADLO O=C(NCC1(Br)CC1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000910188139 654690980 /nfs/dbraw/zinc/69/09/80/654690980.db2.gz IIIXOAOTFWMHFI-AWEZNQCLSA-N 1 2 397.317 2.061 20 0 GEADLO O=C(Cc1c[nH]c[nH+]1)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC000910471834 654701013 /nfs/dbraw/zinc/70/10/13/654701013.db2.gz GMUAQIPPPRTURA-UHFFFAOYSA-N 1 2 383.221 2.329 20 0 GEADLO CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000930251772 654703210 /nfs/dbraw/zinc/70/32/10/654703210.db2.gz ZDIKMWPMQYKURO-ZIAGYGMSSA-N 1 2 384.571 2.001 20 0 GEADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ncc(Br)cn1 ZINC000930590484 654714483 /nfs/dbraw/zinc/71/44/83/654714483.db2.gz RZEKIKOUHINKSQ-UHFFFAOYSA-N 1 2 377.242 2.324 20 0 GEADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931198165 654733215 /nfs/dbraw/zinc/73/32/15/654733215.db2.gz WCWTUDXTQDFZCO-UHFFFAOYSA-N 1 2 383.279 2.449 20 0 GEADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931198165 654733219 /nfs/dbraw/zinc/73/32/19/654733219.db2.gz WCWTUDXTQDFZCO-UHFFFAOYSA-N 1 2 383.279 2.449 20 0 GEADLO COC1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1O ZINC000931635360 654750080 /nfs/dbraw/zinc/75/00/80/654750080.db2.gz FKGWLRIFGYJRNW-QMTHXVAHSA-N 1 2 377.268 2.376 20 0 GEADLO COC1(OC)CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1O ZINC000931635360 654750082 /nfs/dbraw/zinc/75/00/82/654750082.db2.gz FKGWLRIFGYJRNW-QMTHXVAHSA-N 1 2 377.268 2.376 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CCC(OC)(OC)[C@@H](O)C2)cc1OC ZINC000931641451 654750294 /nfs/dbraw/zinc/75/02/94/654750294.db2.gz FVSLVBJDUNZXLI-HNNXBMFYSA-N 1 2 390.274 2.022 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CCC(OC)(OC)[C@@H](O)C2)cc1OC ZINC000931641451 654750297 /nfs/dbraw/zinc/75/02/97/654750297.db2.gz FVSLVBJDUNZXLI-HNNXBMFYSA-N 1 2 390.274 2.022 20 0 GEADLO CN(C)[C@H](C(=O)N1CCOc2ccc(Br)cc21)c1c[nH+]cn1C ZINC000912431662 654753655 /nfs/dbraw/zinc/75/36/55/654753655.db2.gz APSJOUSXSXJGRZ-HNNXBMFYSA-N 1 2 379.258 2.211 20 0 GEADLO Brc1ccc([C@@H]2c3[nH]cnc3CCN2CC[NH+]2CCOCC2)cc1 ZINC000931800411 654757694 /nfs/dbraw/zinc/75/76/94/654757694.db2.gz UEHNLAUONWRZCZ-GOSISDBHSA-N 1 2 391.313 2.452 20 0 GEADLO COc1ccc(COC[C@@H](O)C[N@H+](C)Cc2ncc(Br)cn2)cc1 ZINC000931868952 654759696 /nfs/dbraw/zinc/75/96/96/654759696.db2.gz CNSDCAFARYPQLB-HNNXBMFYSA-N 1 2 396.285 2.257 20 0 GEADLO COc1ccc(COC[C@@H](O)C[N@@H+](C)Cc2ncc(Br)cn2)cc1 ZINC000931868952 654759700 /nfs/dbraw/zinc/75/97/00/654759700.db2.gz CNSDCAFARYPQLB-HNNXBMFYSA-N 1 2 396.285 2.257 20 0 GEADLO CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931915548 654761842 /nfs/dbraw/zinc/76/18/42/654761842.db2.gz HYOZSFYDGPRNCW-KBPBESRZSA-N 1 2 381.391 2.490 20 0 GEADLO CS(=O)(=O)c1ccc([C@@H](O)C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931915548 654761847 /nfs/dbraw/zinc/76/18/47/654761847.db2.gz HYOZSFYDGPRNCW-KBPBESRZSA-N 1 2 381.391 2.490 20 0 GEADLO O[C@H](C[N@@H+]1CCc2ccc(Br)c(F)c2C1)CC1(O)CCOCC1 ZINC000932014111 654764227 /nfs/dbraw/zinc/76/42/27/654764227.db2.gz NYOQURCXRBUVRN-ZDUSSCGKSA-N 1 2 388.277 2.239 20 0 GEADLO O[C@H](C[N@H+]1CCc2ccc(Br)c(F)c2C1)CC1(O)CCOCC1 ZINC000932014111 654764230 /nfs/dbraw/zinc/76/42/30/654764230.db2.gz NYOQURCXRBUVRN-ZDUSSCGKSA-N 1 2 388.277 2.239 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@H](CO)C1 ZINC000912747273 654766187 /nfs/dbraw/zinc/76/61/87/654766187.db2.gz FABURHCXTZYRHZ-JTQLQIEISA-N 1 2 386.677 2.332 20 0 GEADLO C[N@H+]1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)[C@H](CO)C1 ZINC000912747273 654766189 /nfs/dbraw/zinc/76/61/89/654766189.db2.gz FABURHCXTZYRHZ-JTQLQIEISA-N 1 2 386.677 2.332 20 0 GEADLO CCOc1ccc(Br)c(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1F ZINC000932126293 654767584 /nfs/dbraw/zinc/76/75/84/654767584.db2.gz JFQNOSHNABKDBV-LLVKDONJSA-N 1 2 389.265 2.126 20 0 GEADLO Cc1ccc(Br)c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000932493010 654779416 /nfs/dbraw/zinc/77/94/16/654779416.db2.gz BOOKIUOUHSEQEJ-AWEZNQCLSA-N 1 2 382.302 2.479 20 0 GEADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCc2ccc(Br)cc21 ZINC000932640260 654784188 /nfs/dbraw/zinc/78/41/88/654784188.db2.gz UNBKHKNWCPINHW-WBVHZDCISA-N 1 2 395.297 2.218 20 0 GEADLO CCOC(=O)[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000932643949 654784235 /nfs/dbraw/zinc/78/42/35/654784235.db2.gz NFKJXKNXWCMJBH-LBPRGKRZSA-N 1 2 390.299 2.108 20 0 GEADLO CCOC(=O)[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000932643949 654784241 /nfs/dbraw/zinc/78/42/41/654784241.db2.gz NFKJXKNXWCMJBH-LBPRGKRZSA-N 1 2 390.299 2.108 20 0 GEADLO CCOC(=O)[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000932654527 654784372 /nfs/dbraw/zinc/78/43/72/654784372.db2.gz ZUGPOAKUYOTBQF-GFCCVEGCSA-N 1 2 390.299 2.108 20 0 GEADLO CCOC(=O)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000932654527 654784377 /nfs/dbraw/zinc/78/43/77/654784377.db2.gz ZUGPOAKUYOTBQF-GFCCVEGCSA-N 1 2 390.299 2.108 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000932660955 654784755 /nfs/dbraw/zinc/78/47/55/654784755.db2.gz UESAORHHHVAXOY-RYUDHWBXSA-N 1 2 379.507 2.485 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@H+]([C@@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000932660955 654784760 /nfs/dbraw/zinc/78/47/60/654784760.db2.gz UESAORHHHVAXOY-RYUDHWBXSA-N 1 2 379.507 2.485 20 0 GEADLO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913443297 654792296 /nfs/dbraw/zinc/79/22/96/654792296.db2.gz PGFGXGVCZAIGDJ-IINYFYTJSA-N 1 2 397.248 2.252 20 0 GEADLO O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913452856 654792752 /nfs/dbraw/zinc/79/27/52/654792752.db2.gz HDLRLRKMNBPNEY-ARFHVFGLSA-N 1 2 375.270 2.449 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3nc(Br)sc3Cl)CC[NH2+]2)cn1 ZINC000913455755 654793114 /nfs/dbraw/zinc/79/31/14/654793114.db2.gz DGUFEXDGSVCHBR-MRVPVSSYSA-N 1 2 390.694 2.079 20 0 GEADLO Cc1ccc(CC(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)c(Br)c1 ZINC000913459520 654793373 /nfs/dbraw/zinc/79/33/73/654793373.db2.gz DDOMVWSGWQQCSN-INIZCTEOSA-N 1 2 377.286 2.207 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(Br)[nH]c2=O)CC1 ZINC000932879943 654793388 /nfs/dbraw/zinc/79/33/88/654793388.db2.gz KSMLSRMKQBFJEM-LBPRGKRZSA-N 1 2 391.269 2.464 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913466000 654794241 /nfs/dbraw/zinc/79/42/41/654794241.db2.gz CIUHDTFRAVSAMQ-DOMZBBRYSA-N 1 2 393.285 2.123 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913466014 654794275 /nfs/dbraw/zinc/79/42/75/654794275.db2.gz CIUHDTFRAVSAMQ-IUODEOHRSA-N 1 2 393.285 2.123 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)CCc3cc(Br)cs3)CC[NH2+]2)cn1 ZINC000913469083 654794361 /nfs/dbraw/zinc/79/43/61/654794361.db2.gz NYDNSGSDQVVNDR-CQSZACIVSA-N 1 2 383.315 2.350 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)C3(c4cccc(Br)c4)CC3)CC[NH2+]2)cn1 ZINC000913472793 654794459 /nfs/dbraw/zinc/79/44/59/654794459.db2.gz HFWRXLWWLAYVFG-INIZCTEOSA-N 1 2 389.297 2.387 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3cc(F)c(F)cc3Br)CC[NH2+]2)cn1 ZINC000913469194 654794470 /nfs/dbraw/zinc/79/44/70/654794470.db2.gz XDAVZOPDXPTCEW-AWEZNQCLSA-N 1 2 385.212 2.248 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)CCc3cccc(Br)c3)CC[NH2+]2)cn1 ZINC000913472160 654794641 /nfs/dbraw/zinc/79/46/41/654794641.db2.gz PTJODBPUDQHJMX-INIZCTEOSA-N 1 2 377.286 2.288 20 0 GEADLO Cc1cc(Br)c(CC(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)s1 ZINC000913476521 654794880 /nfs/dbraw/zinc/79/48/80/654794880.db2.gz ZAYVYDKJWFRTIJ-ZDUSSCGKSA-N 1 2 383.315 2.268 20 0 GEADLO COc1cccc([C@@H]2CN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)CC[NH2+]2)c1 ZINC000913480661 654795185 /nfs/dbraw/zinc/79/51/85/654795185.db2.gz NFDJFSZSGSFQSB-STQMWFEESA-N 1 2 381.687 2.289 20 0 GEADLO COc1ncc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)c(C)c1Br ZINC000932943262 654795266 /nfs/dbraw/zinc/79/52/66/654795266.db2.gz RRFAYTYOZLXARW-SNVBAGLBSA-N 1 2 387.278 2.003 20 0 GEADLO COc1ncc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(C)c1Br ZINC000932953328 654797109 /nfs/dbraw/zinc/79/71/09/654797109.db2.gz ULZPDXWELPREKR-SNVBAGLBSA-N 1 2 380.246 2.494 20 0 GEADLO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000932959635 654798291 /nfs/dbraw/zinc/79/82/91/654798291.db2.gz GWDNTRGTXHPXRY-VIFPVBQESA-N 1 2 399.257 2.161 20 0 GEADLO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000932959635 654798292 /nfs/dbraw/zinc/79/82/92/654798292.db2.gz GWDNTRGTXHPXRY-VIFPVBQESA-N 1 2 399.257 2.161 20 0 GEADLO Cc1csc(C[C@H]2CC[N@H+](CC3=Nc4ccccc4S(=O)(=O)N3)C2)n1 ZINC000933124386 654802990 /nfs/dbraw/zinc/80/29/90/654802990.db2.gz XXEZVROANCMSLT-CYBMUJFWSA-N 1 2 376.507 2.338 20 0 GEADLO Cc1csc(C[C@H]2CC[N@@H+](CC3=Nc4ccccc4S(=O)(=O)N3)C2)n1 ZINC000933124386 654802991 /nfs/dbraw/zinc/80/29/91/654802991.db2.gz XXEZVROANCMSLT-CYBMUJFWSA-N 1 2 376.507 2.338 20 0 GEADLO CC[NH+]1CCC(NS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)CC1 ZINC000913908929 654815566 /nfs/dbraw/zinc/81/55/66/654815566.db2.gz MBYUZTAAFDBMOC-DEOSSOPVSA-N 1 2 399.460 2.352 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)c1F ZINC000913926896 654816419 /nfs/dbraw/zinc/81/64/19/654816419.db2.gz PFUWRZDKANUNDU-VIFPVBQESA-N 1 2 392.250 2.160 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)NCC1(n2cc(Br)cn2)CC1 ZINC000914154268 654829925 /nfs/dbraw/zinc/82/99/25/654829925.db2.gz YVURPYXUAHQVGS-UHFFFAOYSA-N 1 2 393.289 2.331 20 0 GEADLO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(O)cccc2OC(F)(F)F)C[N@@H+]1C1CC1 ZINC000914237282 654837710 /nfs/dbraw/zinc/83/77/10/654837710.db2.gz RWINTJJCHISDOR-NXEZZACHSA-N 1 2 380.388 2.194 20 0 GEADLO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(O)cccc2OC(F)(F)F)C[N@H+]1C1CC1 ZINC000914237282 654837712 /nfs/dbraw/zinc/83/77/12/654837712.db2.gz RWINTJJCHISDOR-NXEZZACHSA-N 1 2 380.388 2.194 20 0 GEADLO FC(F)(F)c1nc(Br)c2n1CC[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC000934325120 654844369 /nfs/dbraw/zinc/84/43/69/654844369.db2.gz MZGUAGSWLHSMHU-QMMMGPOBSA-N 1 2 391.195 2.259 20 0 GEADLO FC(F)(F)c1nc(Br)c2n1CC[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC000934325120 654844371 /nfs/dbraw/zinc/84/43/71/654844371.db2.gz MZGUAGSWLHSMHU-QMMMGPOBSA-N 1 2 391.195 2.259 20 0 GEADLO C[C@@](CO)([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1cccc(Br)c1 ZINC000934493958 654850715 /nfs/dbraw/zinc/85/07/15/654850715.db2.gz MSGNCXPWZFCWLY-GUYCJALGSA-N 1 2 395.301 2.074 20 0 GEADLO C[C@H]1CCN(C(=O)c2cc(=O)n(C)cc2Br)C[C@H]1n1cc[nH+]c1 ZINC000934654332 654854736 /nfs/dbraw/zinc/85/47/36/654854736.db2.gz QJRNYWLYJUXHHU-SMDDNHRTSA-N 1 2 379.258 2.068 20 0 GEADLO COc1ncc(C[NH2+][C@H](CO)c2ccccc2I)c(C)n1 ZINC000934826554 654861664 /nfs/dbraw/zinc/86/16/64/654861664.db2.gz DXOZDVPXSYTJNP-CQSZACIVSA-N 1 2 399.232 2.221 20 0 GEADLO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccccc1I ZINC000934828886 654862482 /nfs/dbraw/zinc/86/24/82/654862482.db2.gz HJOWSPAPHAYQMD-BXUZGUMPSA-N 1 2 390.265 2.075 20 0 GEADLO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1I ZINC000934828887 654862553 /nfs/dbraw/zinc/86/25/53/654862553.db2.gz HJOWSPAPHAYQMD-FZMZJTMJSA-N 1 2 390.265 2.075 20 0 GEADLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccccc1I ZINC000934829354 654862811 /nfs/dbraw/zinc/86/28/11/654862811.db2.gz MTAQUOPEAWLKAL-MISXGVKJSA-N 1 2 390.265 2.217 20 0 GEADLO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](CO)c1ccccc1I ZINC000934829683 654862847 /nfs/dbraw/zinc/86/28/47/654862847.db2.gz OUTYDUBMEMZFGK-SMDDNHRTSA-N 1 2 390.265 2.171 20 0 GEADLO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](CO)c1ccccc1I ZINC000934829750 654863163 /nfs/dbraw/zinc/86/31/63/654863163.db2.gz SPRRVUFVGIXPRJ-SMDDNHRTSA-N 1 2 390.265 2.170 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C2CC2)n1 ZINC001164703710 719856098 /nfs/dbraw/zinc/85/60/98/719856098.db2.gz QJQVORYJWGINFE-KUHUBIRLSA-N 1 2 394.903 2.240 20 0 GEADLO CCOc1ccc(Cl)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164698768 719858180 /nfs/dbraw/zinc/85/81/80/719858180.db2.gz DPAAZBWQPRURLZ-AUUYWEPGSA-N 1 2 397.903 2.366 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(OC)c2ccccc2n1 ZINC001164706598 719862635 /nfs/dbraw/zinc/86/26/35/719862635.db2.gz YDINMVYKTGHTNB-KSFYIVLOSA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(C)(C)C)ncn1 ZINC001164701229 719868466 /nfs/dbraw/zinc/86/84/66/719868466.db2.gz GDYSIBJQCHJFBA-QRWLVFNGSA-N 1 2 376.501 2.007 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(C(C)(C)C)n1 ZINC001164702307 719871385 /nfs/dbraw/zinc/87/13/85/719871385.db2.gz IDZXSUZYXBVSAU-KKSFZXQISA-N 1 2 390.528 2.315 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(CSC)cn1 ZINC001164706207 719873544 /nfs/dbraw/zinc/87/35/44/719873544.db2.gz PCPCMPUGHWRVND-APWZRJJASA-N 1 2 379.526 2.177 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2cnccc2cc1C ZINC001164703046 719875176 /nfs/dbraw/zinc/87/51/76/719875176.db2.gz JSIDWIJILKQDRJ-DYESRHJHSA-N 1 2 384.480 2.171 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc(Cl)c1C(C)C ZINC001164705001 719876660 /nfs/dbraw/zinc/87/66/60/719876660.db2.gz MVIJXBIJBVQVSI-AUUYWEPGSA-N 1 2 396.919 2.486 20 0 GEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3ccoc31)C2 ZINC001164826313 720436144 /nfs/dbraw/zinc/43/61/44/720436144.db2.gz VQSRYJZNGCSPPK-QGZVFWFLSA-N 1 2 397.479 2.014 20 0 GEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN([C@@H](F)c1ccnc(Cl)c1)C2 ZINC001164855064 720896073 /nfs/dbraw/zinc/89/60/73/720896073.db2.gz ADKBFNDZRKCBRX-GOSISDBHSA-N 1 2 388.834 2.411 20 0 GEADLO COc1cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc(SC)n1 ZINC001165011668 721703551 /nfs/dbraw/zinc/70/35/51/721703551.db2.gz UVVVVUSFBITKQF-UHFFFAOYSA-N 1 2 377.518 2.049 20 0 GEADLO COc1cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc(SC)n1 ZINC001165011668 721703556 /nfs/dbraw/zinc/70/35/56/721703556.db2.gz UVVVVUSFBITKQF-UHFFFAOYSA-N 1 2 377.518 2.049 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc[nH]c3nc(=S)sc1-3)C2 ZINC001165009564 721711179 /nfs/dbraw/zinc/71/11/79/721711179.db2.gz VFKOFOONOMBNFA-UHFFFAOYSA-N 1 2 390.542 2.217 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc[nH]c3nc(=S)sc1-3)C2 ZINC001165009564 721711181 /nfs/dbraw/zinc/71/11/81/721711181.db2.gz VFKOFOONOMBNFA-UHFFFAOYSA-N 1 2 390.542 2.217 20 0 GEADLO CC(C)c1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164912821 721779444 /nfs/dbraw/zinc/77/94/44/721779444.db2.gz QJWAMHNLATVUAC-NRFANRHFSA-N 1 2 383.496 2.103 20 0 GEADLO CC(C)c1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164912821 721779449 /nfs/dbraw/zinc/77/94/49/721779449.db2.gz QJWAMHNLATVUAC-NRFANRHFSA-N 1 2 383.496 2.103 20 0 GEADLO Cc1cc(C(C)C)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914964 721800551 /nfs/dbraw/zinc/80/05/51/721800551.db2.gz SGSRTVJHGJGLBR-JOCHJYFZSA-N 1 2 397.523 2.411 20 0 GEADLO Cc1cc(C(C)C)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914964 721800552 /nfs/dbraw/zinc/80/05/52/721800552.db2.gz SGSRTVJHGJGLBR-JOCHJYFZSA-N 1 2 397.523 2.411 20 0 GEADLO COC(=O)c1cc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)ncc1Cl ZINC001164917523 721813065 /nfs/dbraw/zinc/81/30/65/721813065.db2.gz MRROFRPKUYQYAA-UHFFFAOYSA-N 1 2 389.887 2.468 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(-c3ccccn3)nn2)CC1 ZINC001164919121 721820143 /nfs/dbraw/zinc/82/01/43/721820143.db2.gz MUCOVAKVSXIAIW-UHFFFAOYSA-N 1 2 375.480 2.485 20 0 GEADLO COC(=O)c1ccc2nc(Cl)c(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc2c1 ZINC001165035418 721902446 /nfs/dbraw/zinc/90/24/46/721902446.db2.gz BIMSHTSJIZDZGM-AWEZNQCLSA-N 1 2 390.871 2.371 20 0 GEADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165039251 721912087 /nfs/dbraw/zinc/91/20/87/721912087.db2.gz SACZFTYNNBAQJS-LLVKDONJSA-N 1 2 389.283 2.261 20 0 GEADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001165040173 721915914 /nfs/dbraw/zinc/91/59/14/721915914.db2.gz ZDXCRWYCXZJZAY-CYBMUJFWSA-N 1 2 389.830 2.368 20 0 GEADLO Nc1cc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946808 721977611 /nfs/dbraw/zinc/97/76/11/721977611.db2.gz LAGGGBIQIMXPTM-UHFFFAOYSA-N 1 2 385.899 2.288 20 0 GEADLO Nc1cc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946808 721977612 /nfs/dbraw/zinc/97/76/12/721977612.db2.gz LAGGGBIQIMXPTM-UHFFFAOYSA-N 1 2 385.899 2.288 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(N)[nH+]c3)C2)s1 ZINC000151697837 531515027 /nfs/dbraw/zinc/51/50/27/531515027.db2.gz RBUCOOXDKOGARL-GFCCVEGCSA-N 1 2 380.495 2.073 20 0 GEADLO CCC[N@H+](CC(=O)N(C)Cc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000151421881 531500218 /nfs/dbraw/zinc/50/02/18/531500218.db2.gz CPDBNRBHQAHVCF-INIZCTEOSA-N 1 2 384.567 2.266 20 0 GEADLO CCC[N@@H+](CC(=O)N(C)Cc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000151421881 531500223 /nfs/dbraw/zinc/50/02/23/531500223.db2.gz CPDBNRBHQAHVCF-INIZCTEOSA-N 1 2 384.567 2.266 20 0 GEADLO Cn1cc(N2CCC[C@@H]([N@H+](C)Cc3cc(Br)cn3C)C2=O)cn1 ZINC000151470442 531504166 /nfs/dbraw/zinc/50/41/66/531504166.db2.gz YYVOVHIZPCSOJE-OAHLLOKOSA-N 1 2 380.290 2.149 20 0 GEADLO Cn1cc(N2CCC[C@@H]([N@@H+](C)Cc3cc(Br)cn3C)C2=O)cn1 ZINC000151470442 531504171 /nfs/dbraw/zinc/50/41/71/531504171.db2.gz YYVOVHIZPCSOJE-OAHLLOKOSA-N 1 2 380.290 2.149 20 0 GEADLO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000151532676 531508062 /nfs/dbraw/zinc/50/80/62/531508062.db2.gz JCDHNJFLSMCATR-ZDUSSCGKSA-N 1 2 393.336 2.477 20 0 GEADLO C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)Cc1ccco1 ZINC000007523463 531540386 /nfs/dbraw/zinc/54/03/86/531540386.db2.gz GUWIXKLNXNXBFZ-UHFFFAOYSA-N 1 2 380.242 2.229 20 0 GEADLO C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)Cc1ccco1 ZINC000007523463 531540396 /nfs/dbraw/zinc/54/03/96/531540396.db2.gz GUWIXKLNXNXBFZ-UHFFFAOYSA-N 1 2 380.242 2.229 20 0 GEADLO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000152353924 531543983 /nfs/dbraw/zinc/54/39/83/531543983.db2.gz UEHTZCLDXHABOW-AWEZNQCLSA-N 1 2 389.323 2.325 20 0 GEADLO CN(C)c1ncc(Br)cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152418495 531548849 /nfs/dbraw/zinc/54/88/49/531548849.db2.gz UKOMXOIBIVDXIN-ZDUSSCGKSA-N 1 2 390.285 2.314 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000152648735 531564711 /nfs/dbraw/zinc/56/47/11/531564711.db2.gz BCUSUKBCMFHJKF-UHFFFAOYSA-N 1 2 389.308 2.196 20 0 GEADLO C[C@H](O)C(=O)N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000152970080 531582362 /nfs/dbraw/zinc/58/23/62/531582362.db2.gz DCFJCPQPLAZRBS-LBPRGKRZSA-N 1 2 378.270 2.022 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000020795807 531582463 /nfs/dbraw/zinc/58/24/63/531582463.db2.gz AUKIMHLSCIEPGH-UHFFFAOYSA-N 1 2 383.876 2.423 20 0 GEADLO O=C(Cc1cc(Br)ccc1F)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000153080611 531588183 /nfs/dbraw/zinc/58/81/83/531588183.db2.gz HUEHUSZZNNEYRS-OAHLLOKOSA-N 1 2 385.277 2.454 20 0 GEADLO O=C(Cc1cc(F)ccc1Br)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000153080172 531588497 /nfs/dbraw/zinc/58/84/97/531588497.db2.gz FHGMKHXVQWAICI-OAHLLOKOSA-N 1 2 385.277 2.454 20 0 GEADLO C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C[C@H](C)[NH2+]1 ZINC000153160961 531591586 /nfs/dbraw/zinc/59/15/86/531591586.db2.gz XDCURVRZYGWNRC-STQMWFEESA-N 1 2 379.507 2.371 20 0 GEADLO Cc1cc(=O)n2nc(C[NH+]3CCN(c4ccccc4Cl)CC3)sc2n1 ZINC000023028259 531594820 /nfs/dbraw/zinc/59/48/20/531594820.db2.gz ALFQAPFUKOONJO-UHFFFAOYSA-N 1 2 375.885 2.435 20 0 GEADLO COc1ccc(Br)cc1CN1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000023286965 531596032 /nfs/dbraw/zinc/59/60/32/531596032.db2.gz KNQJTHGDHKBIJT-UHFFFAOYSA-N 1 2 384.318 2.100 20 0 GEADLO CN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000153415185 531598148 /nfs/dbraw/zinc/59/81/48/531598148.db2.gz HSJVRLZAKWGWDO-GFCCVEGCSA-N 1 2 389.315 2.019 20 0 GEADLO CN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153415185 531598155 /nfs/dbraw/zinc/59/81/55/531598155.db2.gz HSJVRLZAKWGWDO-GFCCVEGCSA-N 1 2 389.315 2.019 20 0 GEADLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccsc3)c2)CC1 ZINC000025014758 531611637 /nfs/dbraw/zinc/61/16/37/531611637.db2.gz SZBLIWWAOTXNCP-UHFFFAOYSA-N 1 2 379.507 2.327 20 0 GEADLO Cn1cnc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1Cl ZINC000027967766 531629653 /nfs/dbraw/zinc/62/96/53/531629653.db2.gz IZEAMSXWTOFCKK-UHFFFAOYSA-N 1 2 386.880 2.109 20 0 GEADLO Cn1cnc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1Cl ZINC000027967766 531629657 /nfs/dbraw/zinc/62/96/57/531629657.db2.gz IZEAMSXWTOFCKK-UHFFFAOYSA-N 1 2 386.880 2.109 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000030131365 531632876 /nfs/dbraw/zinc/63/28/76/531632876.db2.gz ZVFIQKYZSFAPQN-UHFFFAOYSA-N 1 2 391.896 2.211 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)Nc2cccc(SC)c2)CC1 ZINC000030131769 531633150 /nfs/dbraw/zinc/63/31/50/531633150.db2.gz CRFUAUDHSDUUSO-UHFFFAOYSA-N 1 2 385.555 2.141 20 0 GEADLO O=C(C[NH+]1CCN(c2ccc(Br)cn2)CC1)NC(C1CC1)C1CC1 ZINC000030202450 531632421 /nfs/dbraw/zinc/63/24/21/531632421.db2.gz IXYLNJNESCNRAI-UHFFFAOYSA-N 1 2 393.329 2.271 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)Nc1cc(Br)cnc1-n1cccn1 ZINC000154965055 531645801 /nfs/dbraw/zinc/64/58/01/531645801.db2.gz RWLWTIVOESNJLJ-UHFFFAOYSA-N 1 2 390.245 2.438 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(Br)cc1 ZINC000031941869 531646663 /nfs/dbraw/zinc/64/66/63/531646663.db2.gz BCFZLNRMAVGKDG-MRXNPFEDSA-N 1 2 385.327 2.387 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cc1Cl ZINC000030331830 531635561 /nfs/dbraw/zinc/63/55/61/531635561.db2.gz BSTAHSUJCQFXOX-CQSZACIVSA-N 1 2 390.933 2.374 20 0 GEADLO CS(=O)(=O)Cc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000030541442 531638505 /nfs/dbraw/zinc/63/85/05/531638505.db2.gz FRPSUINWONUNHY-UHFFFAOYSA-N 1 2 378.519 2.251 20 0 GEADLO CNC(=O)CCC[N@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000155029074 531650602 /nfs/dbraw/zinc/65/06/02/531650602.db2.gz URPNCBFFYGJEJO-UHFFFAOYSA-N 1 2 381.523 2.172 20 0 GEADLO CNC(=O)CCC[N@@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000155029074 531650608 /nfs/dbraw/zinc/65/06/08/531650608.db2.gz URPNCBFFYGJEJO-UHFFFAOYSA-N 1 2 381.523 2.172 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cc(Br)c[nH]2)CC1 ZINC000032431979 531652404 /nfs/dbraw/zinc/65/24/04/531652404.db2.gz FKHBVNGLVIAYHJ-UHFFFAOYSA-N 1 2 391.269 2.417 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc(I)c1 ZINC000045959468 531696605 /nfs/dbraw/zinc/69/66/05/531696605.db2.gz QPMVSQDESPUZFW-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO O=S(=O)(NCCc1cn2ccccc2[nH+]1)c1c[nH]c2nccc(Cl)c12 ZINC000155933400 531706417 /nfs/dbraw/zinc/70/64/17/531706417.db2.gz LVEJJWUJVNKVBO-UHFFFAOYSA-N 1 2 375.841 2.385 20 0 GEADLO CC(=O)N1CC[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000155929181 531706689 /nfs/dbraw/zinc/70/66/89/531706689.db2.gz SRVIVJFXEZWCLX-SJORKVTESA-N 1 2 394.313 2.323 20 0 GEADLO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCn2cc[nH+]c2C1 ZINC000156262402 531724797 /nfs/dbraw/zinc/72/47/97/531724797.db2.gz VMDVQQWVGMBABM-NWDGAFQWSA-N 1 2 384.263 2.308 20 0 GEADLO CN(C)c1[nH+]cccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000047976333 531725201 /nfs/dbraw/zinc/72/52/01/531725201.db2.gz BUIXEWYXNQDJPV-UHFFFAOYSA-N 1 2 382.873 2.060 20 0 GEADLO O=C(c1ccc(Br)c(O)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000156183890 531719177 /nfs/dbraw/zinc/71/91/77/531719177.db2.gz WSHYRPLCDNNLIZ-CYBMUJFWSA-N 1 2 383.286 2.339 20 0 GEADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000047854101 531722491 /nfs/dbraw/zinc/72/24/91/531722491.db2.gz LUPXEDZOZQZDTD-UHFFFAOYSA-N 1 2 375.300 2.004 20 0 GEADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000047854101 531722495 /nfs/dbraw/zinc/72/24/95/531722495.db2.gz LUPXEDZOZQZDTD-UHFFFAOYSA-N 1 2 375.300 2.004 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000049232584 531734931 /nfs/dbraw/zinc/73/49/31/531734931.db2.gz DIAUEUWRPBTTHP-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO COc1cccc([C@H](NC(=O)CSc2nncs2)c2[nH+]ccn2C)c1 ZINC000051016829 531738960 /nfs/dbraw/zinc/73/89/60/531738960.db2.gz IFEAAKLFMIVFEK-AWEZNQCLSA-N 1 2 375.479 2.278 20 0 GEADLO CN(C(=O)C[NH+]1CCN(c2ncc(Br)cn2)CC1)C1CCCCC1 ZINC000051794193 531743441 /nfs/dbraw/zinc/74/34/41/531743441.db2.gz KLEVKHOZQBSYDJ-UHFFFAOYSA-N 1 2 396.333 2.152 20 0 GEADLO CC1CCC(NC(=O)C[NH+]2CCN(c3ncc(Br)cn3)CC2)CC1 ZINC000051795546 531745843 /nfs/dbraw/zinc/74/58/43/531745843.db2.gz DLPMVBCTGJEFKH-UHFFFAOYSA-N 1 2 396.333 2.056 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000157603856 531746750 /nfs/dbraw/zinc/74/67/50/531746750.db2.gz QETPCQHLBLOZKE-LBPRGKRZSA-N 1 2 395.301 2.266 20 0 GEADLO O=S(=O)(c1cccnc1)N1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000157554149 531746797 /nfs/dbraw/zinc/74/67/97/531746797.db2.gz CKHMSFDCYQYNHH-UHFFFAOYSA-N 1 2 381.498 2.319 20 0 GEADLO COCCCNC(=O)C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000053141540 531756515 /nfs/dbraw/zinc/75/65/15/531756515.db2.gz AIXAYPGNOYMQJJ-LBPRGKRZSA-N 1 2 390.311 2.255 20 0 GEADLO COCCCNC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000053141540 531756521 /nfs/dbraw/zinc/75/65/21/531756521.db2.gz AIXAYPGNOYMQJJ-LBPRGKRZSA-N 1 2 390.311 2.255 20 0 GEADLO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+](C)CCc1nccs1 ZINC000158033146 531763420 /nfs/dbraw/zinc/76/34/20/531763420.db2.gz ABOCJCRBNCXSPW-UHFFFAOYSA-N 1 2 380.901 2.368 20 0 GEADLO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+](C)CCc1nccs1 ZINC000158033146 531763427 /nfs/dbraw/zinc/76/34/27/531763427.db2.gz ABOCJCRBNCXSPW-UHFFFAOYSA-N 1 2 380.901 2.368 20 0 GEADLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1sccc1Br ZINC000159359267 531779524 /nfs/dbraw/zinc/77/95/24/531779524.db2.gz UCJKWUUNDFMZLV-JTQLQIEISA-N 1 2 388.312 2.463 20 0 GEADLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)o2)CC1 ZINC000054546997 531779658 /nfs/dbraw/zinc/77/96/58/531779658.db2.gz PANFEZUPUMMZQT-UHFFFAOYSA-N 1 2 386.290 2.105 20 0 GEADLO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)o2)CC1 ZINC000054546997 531779664 /nfs/dbraw/zinc/77/96/64/531779664.db2.gz PANFEZUPUMMZQT-UHFFFAOYSA-N 1 2 386.290 2.105 20 0 GEADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000055290577 531787610 /nfs/dbraw/zinc/78/76/10/531787610.db2.gz RSPIYAQMGHRUGR-BETUJISGSA-N 1 2 380.432 2.483 20 0 GEADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000055290577 531787613 /nfs/dbraw/zinc/78/76/13/531787613.db2.gz RSPIYAQMGHRUGR-BETUJISGSA-N 1 2 380.432 2.483 20 0 GEADLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000055290580 531788185 /nfs/dbraw/zinc/78/81/85/531788185.db2.gz RSPIYAQMGHRUGR-STQMWFEESA-N 1 2 380.432 2.483 20 0 GEADLO Nc1ncc2c(n1)C[N@H+]([C@@H]1CCc3cc(Br)ccc3NC1=O)CC2 ZINC000623292026 531804856 /nfs/dbraw/zinc/80/48/56/531804856.db2.gz YMIGJAZKJSESMP-OAHLLOKOSA-N 1 2 388.269 2.133 20 0 GEADLO Nc1ncc2c(n1)C[N@@H+]([C@@H]1CCc3cc(Br)ccc3NC1=O)CC2 ZINC000623292026 531804867 /nfs/dbraw/zinc/80/48/67/531804867.db2.gz YMIGJAZKJSESMP-OAHLLOKOSA-N 1 2 388.269 2.133 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000056402947 531813439 /nfs/dbraw/zinc/81/34/39/531813439.db2.gz NVGPLOZTODXPOO-SNVBAGLBSA-N 1 2 398.897 2.032 20 0 GEADLO O=S(=O)(c1ccc2c(c1)CCO2)N1CC[NH+](CCc2cccs2)CC1 ZINC000057018893 531817085 /nfs/dbraw/zinc/81/70/85/531817085.db2.gz WAGLUODDYPYNKV-UHFFFAOYSA-N 1 2 378.519 2.232 20 0 GEADLO O=C(CCOc1ccc(Cl)cc1Br)NCC[NH+]1CCOCC1 ZINC000067126235 531876972 /nfs/dbraw/zinc/87/69/72/531876972.db2.gz DBRQXTLIGKNKDN-UHFFFAOYSA-N 1 2 391.693 2.320 20 0 GEADLO C[N@H+](CCNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)C1CC1 ZINC000067282604 531880444 /nfs/dbraw/zinc/88/04/44/531880444.db2.gz BODJKHMMOJHTKU-UHFFFAOYSA-N 1 2 379.507 2.373 20 0 GEADLO C[N@@H+](CCNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)C1CC1 ZINC000067282604 531880448 /nfs/dbraw/zinc/88/04/48/531880448.db2.gz BODJKHMMOJHTKU-UHFFFAOYSA-N 1 2 379.507 2.373 20 0 GEADLO CN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000164752223 531870252 /nfs/dbraw/zinc/87/02/52/531870252.db2.gz ZEPMBLBNPSMCMB-OCCSQVGLSA-N 1 2 388.942 2.064 20 0 GEADLO CN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000164752223 531870259 /nfs/dbraw/zinc/87/02/59/531870259.db2.gz ZEPMBLBNPSMCMB-OCCSQVGLSA-N 1 2 388.942 2.064 20 0 GEADLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccc(Br)cn1 ZINC000170752628 531891779 /nfs/dbraw/zinc/89/17/79/531891779.db2.gz NPDQNMRPOPGBGQ-UHFFFAOYSA-N 1 2 377.242 2.006 20 0 GEADLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccccc2OC(F)F)C[C@H](C)O1 ZINC000170658075 531885559 /nfs/dbraw/zinc/88/55/59/531885559.db2.gz OZRWCZUXVUZJME-STQMWFEESA-N 1 2 378.441 2.066 20 0 GEADLO O=c1cc(C[NH+]2CCN(Cc3cscn3)CC2)nc2ccc(Cl)cn12 ZINC000067714894 531886644 /nfs/dbraw/zinc/88/66/44/531886644.db2.gz FCZISEKDRQCPQH-UHFFFAOYSA-N 1 2 375.885 2.122 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649938 531886971 /nfs/dbraw/zinc/88/69/71/531886971.db2.gz VVCVVSMEEZSLLY-ZDUSSCGKSA-N 1 2 390.285 2.388 20 0 GEADLO COCCS(=O)(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000170663177 531887845 /nfs/dbraw/zinc/88/78/45/531887845.db2.gz RDISGPLHECBKTE-KRWDZBQOSA-N 1 2 380.535 2.413 20 0 GEADLO COCCS(=O)(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000170663177 531887850 /nfs/dbraw/zinc/88/78/50/531887850.db2.gz RDISGPLHECBKTE-KRWDZBQOSA-N 1 2 380.535 2.413 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000171960946 531925963 /nfs/dbraw/zinc/92/59/63/531925963.db2.gz KEJTYWDSGHOFOG-UHFFFAOYSA-N 1 2 376.320 2.090 20 0 GEADLO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000071952964 531915467 /nfs/dbraw/zinc/91/54/67/531915467.db2.gz ZFBUMXPXFBGURQ-WBMJQRKESA-N 1 2 382.302 2.227 20 0 GEADLO CC(=O)N[C@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000071952964 531915476 /nfs/dbraw/zinc/91/54/76/531915476.db2.gz ZFBUMXPXFBGURQ-WBMJQRKESA-N 1 2 382.302 2.227 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171778314 531916962 /nfs/dbraw/zinc/91/69/62/531916962.db2.gz ALNASUMVHMXPCX-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171778314 531916966 /nfs/dbraw/zinc/91/69/66/531916966.db2.gz ALNASUMVHMXPCX-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO CC(C)(CNC(=O)CN1CCc2cc(Br)ccc21)[NH+]1CCOCC1 ZINC000171991050 531928515 /nfs/dbraw/zinc/92/85/15/531928515.db2.gz JCGDBDYKCDWMTG-UHFFFAOYSA-N 1 2 396.329 2.039 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000112362529 531947530 /nfs/dbraw/zinc/94/75/30/531947530.db2.gz MCKXBFWGVRGWNK-AWEZNQCLSA-N 1 2 388.917 2.082 20 0 GEADLO NC(=O)c1cc(N2CC[NH+](Cc3ccc(Br)s3)CC2)ccn1 ZINC000114183667 531955615 /nfs/dbraw/zinc/95/56/15/531955615.db2.gz DXXYLDGMLBEKNE-UHFFFAOYSA-N 1 2 381.299 2.327 20 0 GEADLO Cc1cc(NC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc[nH+]1 ZINC000119289534 531966011 /nfs/dbraw/zinc/96/60/11/531966011.db2.gz JCUAPTKILDJXJL-UHFFFAOYSA-N 1 2 380.495 2.426 20 0 GEADLO CC(C)C[C@@H](CNS(=O)(=O)c1cc(F)c(F)c(F)c1)[NH+]1CCOCC1 ZINC000173002845 531978973 /nfs/dbraw/zinc/97/89/73/531978973.db2.gz OPJSURZKFNWAQL-LBPRGKRZSA-N 1 2 380.432 2.129 20 0 GEADLO CCCc1nc(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cs1 ZINC000120154446 531974264 /nfs/dbraw/zinc/97/42/64/531974264.db2.gz OUWCCEJLVCYQDG-UHFFFAOYSA-N 1 2 380.539 2.065 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)ccc2C)CC1 ZINC000173073650 531984475 /nfs/dbraw/zinc/98/44/75/531984475.db2.gz GXMWPDNNOFGMSR-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)ccc2C)CC1 ZINC000173073650 531984481 /nfs/dbraw/zinc/98/44/81/531984481.db2.gz GXMWPDNNOFGMSR-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO C[C@H](O)[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000120690889 531989340 /nfs/dbraw/zinc/98/93/40/531989340.db2.gz SCTRMTDTDBSYPQ-STQMWFEESA-N 1 2 376.316 2.316 20 0 GEADLO C[C@H](O)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000120690889 531989342 /nfs/dbraw/zinc/98/93/42/531989342.db2.gz SCTRMTDTDBSYPQ-STQMWFEESA-N 1 2 376.316 2.316 20 0 GEADLO COCC[N@H+](Cc1ccccc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000173205966 531995224 /nfs/dbraw/zinc/99/52/24/531995224.db2.gz AOZMSITXCATVBM-AWEZNQCLSA-N 1 2 381.416 2.263 20 0 GEADLO COCC[N@@H+](Cc1ccccc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000173205966 531995226 /nfs/dbraw/zinc/99/52/26/531995226.db2.gz AOZMSITXCATVBM-AWEZNQCLSA-N 1 2 381.416 2.263 20 0 GEADLO CCc1nnsc1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000120951393 532003482 /nfs/dbraw/zinc/00/34/82/532003482.db2.gz LUZLNOKJDQKGJN-UHFFFAOYSA-N 1 2 379.917 2.306 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000173412301 532010039 /nfs/dbraw/zinc/01/00/39/532010039.db2.gz FUDIQDHRCZTBMN-SECBINFHSA-N 1 2 377.304 2.278 20 0 GEADLO CCCCN(C(=O)C[NH2+][C@](C)(CC)c1nccs1)[C@H]1CCS(=O)(=O)C1 ZINC000173496674 532014662 /nfs/dbraw/zinc/01/46/62/532014662.db2.gz SNGYQNPLVYBLQM-WMLDXEAASA-N 1 2 387.571 2.174 20 0 GEADLO Cc1sc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1CS(C)(=O)=O ZINC000121253970 532020207 /nfs/dbraw/zinc/02/02/07/532020207.db2.gz YQDYYHFRXCJOOE-UHFFFAOYSA-N 1 2 381.523 2.106 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000121250252 532020562 /nfs/dbraw/zinc/02/05/62/532020562.db2.gz ZBBITZWABMLXGM-NSHDSACASA-N 1 2 381.263 2.439 20 0 GEADLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1ccc(Br)cc1 ZINC000173633191 532024599 /nfs/dbraw/zinc/02/45/99/532024599.db2.gz ICNZCDCASPVHCI-LLVKDONJSA-N 1 2 378.274 2.494 20 0 GEADLO CCc1nc(NC(=O)C[N@@H+]2CCCN(c3nc(C)ns3)CC2)sc1C ZINC000173765069 532032979 /nfs/dbraw/zinc/03/29/79/532032979.db2.gz FTGZDPAMLQVMET-UHFFFAOYSA-N 1 2 380.543 2.325 20 0 GEADLO CCc1nc(NC(=O)C[N@H+]2CCCN(c3nc(C)ns3)CC2)sc1C ZINC000173765069 532032984 /nfs/dbraw/zinc/03/29/84/532032984.db2.gz FTGZDPAMLQVMET-UHFFFAOYSA-N 1 2 380.543 2.325 20 0 GEADLO Cc1nsc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)n1 ZINC000173765446 532031900 /nfs/dbraw/zinc/03/19/00/532031900.db2.gz FSHALXWKESVADN-NSHDSACASA-N 1 2 380.905 2.434 20 0 GEADLO Cc1nsc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)n1 ZINC000173765446 532031905 /nfs/dbraw/zinc/03/19/05/532031905.db2.gz FSHALXWKESVADN-NSHDSACASA-N 1 2 380.905 2.434 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)S1 ZINC000173800254 532033672 /nfs/dbraw/zinc/03/36/72/532033672.db2.gz ULQQUYSUKZAWEC-ZDUSSCGKSA-N 1 2 376.507 2.032 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000121551819 532034459 /nfs/dbraw/zinc/03/44/59/532034459.db2.gz DSWUVPAGLDOSBF-HSZRJFAPSA-N 1 2 398.326 2.429 20 0 GEADLO NC(=O)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)cc1 ZINC000173812281 532036021 /nfs/dbraw/zinc/03/60/21/532036021.db2.gz JRBNCBRQOIWCFZ-CQSZACIVSA-N 1 2 380.217 2.003 20 0 GEADLO O=C(NCc1cccc(Br)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174426783 532064792 /nfs/dbraw/zinc/06/47/92/532064792.db2.gz WQDWWGJVGBOWEW-INIZCTEOSA-N 1 2 382.302 2.455 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)c1cncc(I)c1 ZINC000122393758 532068139 /nfs/dbraw/zinc/06/81/39/532068139.db2.gz HKQCLILGSLXCRJ-UHFFFAOYSA-N 1 2 382.205 2.313 20 0 GEADLO O=C(NCc1ccc(Br)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174781362 532078709 /nfs/dbraw/zinc/07/87/09/532078709.db2.gz OMUVKCGLKKOETH-INIZCTEOSA-N 1 2 382.302 2.455 20 0 GEADLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)Cc2c(F)cccc2F)C[C@@H](C)O1 ZINC000122697481 532079568 /nfs/dbraw/zinc/07/95/68/532079568.db2.gz IZBYBLVOJGJROF-CHWSQXEVSA-N 1 2 376.469 2.272 20 0 GEADLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)Cc2c(F)cccc2F)C[C@H](C)O1 ZINC000122697047 532079831 /nfs/dbraw/zinc/07/98/31/532079831.db2.gz IZBYBLVOJGJROF-BETUJISGSA-N 1 2 376.469 2.272 20 0 GEADLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)Cc2c(F)cccc2F)C[C@H](C)O1 ZINC000122697047 532079838 /nfs/dbraw/zinc/07/98/38/532079838.db2.gz IZBYBLVOJGJROF-BETUJISGSA-N 1 2 376.469 2.272 20 0 GEADLO COC(=O)c1ccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)o1 ZINC000122725605 532080986 /nfs/dbraw/zinc/08/09/86/532080986.db2.gz DHDXJYSOIHPYPX-UHFFFAOYSA-N 1 2 378.182 2.406 20 0 GEADLO CC(C)OCCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000175112070 532090125 /nfs/dbraw/zinc/09/01/25/532090125.db2.gz DYADIFNFOBYHBZ-AWEZNQCLSA-N 1 2 376.469 2.274 20 0 GEADLO CC(C)OCCS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000175112070 532090130 /nfs/dbraw/zinc/09/01/30/532090130.db2.gz DYADIFNFOBYHBZ-AWEZNQCLSA-N 1 2 376.469 2.274 20 0 GEADLO CC[N@H+](CC(=O)NCCC(=O)OC)Cc1cc(Br)ccc1F ZINC000123222911 532094951 /nfs/dbraw/zinc/09/49/51/532094951.db2.gz SFANQNSQUZRWQH-UHFFFAOYSA-N 1 2 375.238 2.089 20 0 GEADLO CC[N@@H+](CC(=O)NCCC(=O)OC)Cc1cc(Br)ccc1F ZINC000123222911 532094956 /nfs/dbraw/zinc/09/49/56/532094956.db2.gz SFANQNSQUZRWQH-UHFFFAOYSA-N 1 2 375.238 2.089 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000123238373 532096768 /nfs/dbraw/zinc/09/67/68/532096768.db2.gz JNRORFQRNVTZPR-GFCCVEGCSA-N 1 2 381.325 2.212 20 0 GEADLO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1nnc(-c2ccc(Br)o2)o1 ZINC000123512739 532101492 /nfs/dbraw/zinc/10/14/92/532101492.db2.gz SOZLLPDMJDNDPI-CQSZACIVSA-N 1 2 388.218 2.150 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123834687 532108488 /nfs/dbraw/zinc/10/84/88/532108488.db2.gz JLKUQHUPNOCQGP-IOASZLSFSA-N 1 2 388.892 2.023 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123834687 532108494 /nfs/dbraw/zinc/10/84/94/532108494.db2.gz JLKUQHUPNOCQGP-IOASZLSFSA-N 1 2 388.892 2.023 20 0 GEADLO CCCS(=O)(=O)CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123838135 532108658 /nfs/dbraw/zinc/10/86/58/532108658.db2.gz UBYPTTLFEJSCNL-SUMWQHHRSA-N 1 2 390.908 2.413 20 0 GEADLO CCCS(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123838135 532108660 /nfs/dbraw/zinc/10/86/60/532108660.db2.gz UBYPTTLFEJSCNL-SUMWQHHRSA-N 1 2 390.908 2.413 20 0 GEADLO O=S(=O)(CCN1CC[NH+](CC2CC2)CC1)c1cccc(Br)c1 ZINC000175586802 532109440 /nfs/dbraw/zinc/10/94/40/532109440.db2.gz YVXZERBHBOBVMJ-UHFFFAOYSA-N 1 2 387.343 2.250 20 0 GEADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1c[nH]c(=O)c(Br)c1 ZINC000175642102 532109954 /nfs/dbraw/zinc/10/99/54/532109954.db2.gz FFAWAYRWXNUSAZ-UHFFFAOYSA-N 1 2 392.253 2.222 20 0 GEADLO C[N@@H+]1CC[C@@H](CNC(=O)CCCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123969172 532111964 /nfs/dbraw/zinc/11/19/64/532111964.db2.gz IYRZWEPHURPQGK-GUYCJALGSA-N 1 2 390.908 2.413 20 0 GEADLO C[N@H+]1CC[C@@H](CNC(=O)CCCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123969172 532111966 /nfs/dbraw/zinc/11/19/66/532111966.db2.gz IYRZWEPHURPQGK-GUYCJALGSA-N 1 2 390.908 2.413 20 0 GEADLO C[C@@H](CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)Cc1cccs1 ZINC000175806499 532114857 /nfs/dbraw/zinc/11/48/57/532114857.db2.gz KBJGRXVINAEVHG-CRAIPNDOSA-N 1 2 383.583 2.434 20 0 GEADLO COC(=O)c1occc1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000124100612 532115050 /nfs/dbraw/zinc/11/50/50/532115050.db2.gz UNMBVRCFQRWHIJ-UHFFFAOYSA-N 1 2 384.479 2.071 20 0 GEADLO Cn1cc(NC(=O)C[N@@H+]2CCc3sccc3C2)cc(Br)c1=O ZINC000126919185 532151811 /nfs/dbraw/zinc/15/18/11/532151811.db2.gz SAAFPYLTWOJBHN-UHFFFAOYSA-N 1 2 382.283 2.206 20 0 GEADLO Cn1cc(NC(=O)C[N@H+]2CCc3sccc3C2)cc(Br)c1=O ZINC000126919185 532151816 /nfs/dbraw/zinc/15/18/16/532151816.db2.gz SAAFPYLTWOJBHN-UHFFFAOYSA-N 1 2 382.283 2.206 20 0 GEADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000125912507 532144455 /nfs/dbraw/zinc/14/44/55/532144455.db2.gz MGYIZOKKPQJIKA-OLUQVHSISA-N 1 2 376.404 2.219 20 0 GEADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000125912507 532144456 /nfs/dbraw/zinc/14/44/56/532144456.db2.gz MGYIZOKKPQJIKA-OLUQVHSISA-N 1 2 376.404 2.219 20 0 GEADLO Cc1csc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 ZINC000126206760 532146006 /nfs/dbraw/zinc/14/60/06/532146006.db2.gz LUJHEPFCGNZSJF-CQSZACIVSA-N 1 2 381.523 2.323 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1ccc(OC(F)(F)F)cc1 ZINC000126196240 532146212 /nfs/dbraw/zinc/14/62/12/532146212.db2.gz YTFIYTMAKNNGBO-YYWUGTDISA-N 1 2 380.432 2.461 20 0 GEADLO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)c1ccc(OC(F)(F)F)cc1 ZINC000126196240 532146218 /nfs/dbraw/zinc/14/62/18/532146218.db2.gz YTFIYTMAKNNGBO-YYWUGTDISA-N 1 2 380.432 2.461 20 0 GEADLO O=S(=O)(c1cccc(I)c1)N1CCc2c[nH+]ccc21 ZINC000176737788 532148676 /nfs/dbraw/zinc/14/86/76/532148676.db2.gz GFNXDRUXHSIMGP-UHFFFAOYSA-N 1 2 386.214 2.438 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc(F)c(F)c(F)c1F ZINC000128521069 532165478 /nfs/dbraw/zinc/16/54/78/532165478.db2.gz PFDNJPZQLSHRCN-MRXNPFEDSA-N 1 2 378.391 2.181 20 0 GEADLO COCC(=O)N1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000128714280 532166285 /nfs/dbraw/zinc/16/62/85/532166285.db2.gz DWWJTWUDPLOADY-UHFFFAOYSA-N 1 2 381.270 2.016 20 0 GEADLO C[C@H](C(=O)N1CCc2sccc2C1)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000177214608 532164677 /nfs/dbraw/zinc/16/46/77/532164677.db2.gz ZBGQKWBCFHQOFX-ZIAGYGMSSA-N 1 2 378.567 2.130 20 0 GEADLO C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000177214608 532164680 /nfs/dbraw/zinc/16/46/80/532164680.db2.gz ZBGQKWBCFHQOFX-ZIAGYGMSSA-N 1 2 378.567 2.130 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1c(F)c(F)cc(F)c1F ZINC000177755773 532182320 /nfs/dbraw/zinc/18/23/20/532182320.db2.gz ARXVHONGYUCIQR-MRXNPFEDSA-N 1 2 378.391 2.181 20 0 GEADLO COc1ccccc1-c1nc(C[NH+]2CCC(CS(N)(=O)=O)CC2)cs1 ZINC000129777309 532183662 /nfs/dbraw/zinc/18/36/62/532183662.db2.gz RIZMLWSDAOQKCI-UHFFFAOYSA-N 1 2 381.523 2.319 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCc2cc(Br)cc(F)c21 ZINC000177846762 532185208 /nfs/dbraw/zinc/18/52/08/532185208.db2.gz SNIQLDTUCSZAKD-LLVKDONJSA-N 1 2 386.265 2.381 20 0 GEADLO CC(C)S(=O)(=O)CC[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000178228880 532197294 /nfs/dbraw/zinc/19/72/94/532197294.db2.gz MSUDVFQQVCQUDX-CYBMUJFWSA-N 1 2 383.432 2.200 20 0 GEADLO CC(C)S(=O)(=O)CC[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000178228880 532197297 /nfs/dbraw/zinc/19/72/97/532197297.db2.gz MSUDVFQQVCQUDX-CYBMUJFWSA-N 1 2 383.432 2.200 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000129876881 532186055 /nfs/dbraw/zinc/18/60/55/532186055.db2.gz ORADSLLNYODHDD-JTQLQIEISA-N 1 2 394.324 2.321 20 0 GEADLO NS(=O)(=O)CC1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000129985588 532188280 /nfs/dbraw/zinc/18/82/80/532188280.db2.gz NJKDWLLRBDEHFY-UHFFFAOYSA-N 1 2 377.297 2.142 20 0 GEADLO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178611622 532206964 /nfs/dbraw/zinc/20/69/64/532206964.db2.gz IEWVWVGDJXCAEI-CYBMUJFWSA-N 1 2 378.270 2.233 20 0 GEADLO O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178620268 532207519 /nfs/dbraw/zinc/20/75/19/532207519.db2.gz KLENJNLHWVCKJK-SNVBAGLBSA-N 1 2 378.687 2.142 20 0 GEADLO O=C(CCCSc1ccc(Br)cc1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178646522 532208017 /nfs/dbraw/zinc/20/80/17/532208017.db2.gz DRVMYHMHMBZZSK-OAHLLOKOSA-N 1 2 398.370 2.437 20 0 GEADLO C[C@@H](C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[NH+]1CCSCC1 ZINC000132366024 532213840 /nfs/dbraw/zinc/21/38/40/532213840.db2.gz SQOOAGPHPOQTIA-DZGCQCFKSA-N 1 2 381.929 2.389 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000133340162 532232255 /nfs/dbraw/zinc/23/22/55/532232255.db2.gz SEMKRWGGVXZOQU-HNNXBMFYSA-N 1 2 380.432 2.408 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000133340162 532232257 /nfs/dbraw/zinc/23/22/57/532232257.db2.gz SEMKRWGGVXZOQU-HNNXBMFYSA-N 1 2 380.432 2.408 20 0 GEADLO CC[N@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@H](C)CS(C)(=O)=O ZINC000179656744 532239968 /nfs/dbraw/zinc/23/99/68/532239968.db2.gz SHOZDRCVTGMDEU-LLVKDONJSA-N 1 2 392.315 2.475 20 0 GEADLO CC[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@H](C)CS(C)(=O)=O ZINC000179656744 532239971 /nfs/dbraw/zinc/23/99/71/532239971.db2.gz SHOZDRCVTGMDEU-LLVKDONJSA-N 1 2 392.315 2.475 20 0 GEADLO CC[N@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@@H](C)CS(C)(=O)=O ZINC000179656729 532240367 /nfs/dbraw/zinc/24/03/67/532240367.db2.gz SHOZDRCVTGMDEU-NSHDSACASA-N 1 2 392.315 2.475 20 0 GEADLO CC[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@@H](C)CS(C)(=O)=O ZINC000179656729 532240369 /nfs/dbraw/zinc/24/03/69/532240369.db2.gz SHOZDRCVTGMDEU-NSHDSACASA-N 1 2 392.315 2.475 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179675193 532240660 /nfs/dbraw/zinc/24/06/60/532240660.db2.gz HQKFLPZKYXLSOH-NSHDSACASA-N 1 2 392.315 2.475 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179675193 532240666 /nfs/dbraw/zinc/24/06/66/532240666.db2.gz HQKFLPZKYXLSOH-NSHDSACASA-N 1 2 392.315 2.475 20 0 GEADLO CCOc1cccc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c1OC(F)F ZINC000179902646 532250141 /nfs/dbraw/zinc/25/01/41/532250141.db2.gz QKRZXEMWMWJKKY-UHFFFAOYSA-N 1 2 378.441 2.154 20 0 GEADLO CCOc1cccc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)c1OC(F)F ZINC000179902646 532250144 /nfs/dbraw/zinc/25/01/44/532250144.db2.gz QKRZXEMWMWJKKY-UHFFFAOYSA-N 1 2 378.441 2.154 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000133498748 532236735 /nfs/dbraw/zinc/23/67/35/532236735.db2.gz VRRDANPBBIXCTE-UHFFFAOYSA-N 1 2 383.286 2.246 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000133498748 532236740 /nfs/dbraw/zinc/23/67/40/532236740.db2.gz VRRDANPBBIXCTE-UHFFFAOYSA-N 1 2 383.286 2.246 20 0 GEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cc(Cl)cc(Cl)c1OC ZINC000179587906 532236831 /nfs/dbraw/zinc/23/68/31/532236831.db2.gz IVFKMUZULRPUMA-UHFFFAOYSA-N 1 2 391.295 2.309 20 0 GEADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000135384198 532272441 /nfs/dbraw/zinc/27/24/41/532272441.db2.gz NOOLLQRUZLKJRF-HNNXBMFYSA-N 1 2 375.252 2.178 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000134364880 532255390 /nfs/dbraw/zinc/25/53/90/532255390.db2.gz CQXRUCXZELZKDX-AWEZNQCLSA-N 1 2 384.889 2.292 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000134364880 532255392 /nfs/dbraw/zinc/25/53/92/532255392.db2.gz CQXRUCXZELZKDX-AWEZNQCLSA-N 1 2 384.889 2.292 20 0 GEADLO CS(=O)(=O)c1ccccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000180431666 532272083 /nfs/dbraw/zinc/27/20/83/532272083.db2.gz XVGDZOZEDDBOCU-UHFFFAOYSA-N 1 2 380.432 2.181 20 0 GEADLO Cn1cnnc1CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000134488274 532257124 /nfs/dbraw/zinc/25/71/24/532257124.db2.gz JMUMQALEBZHNNJ-HNNXBMFYSA-N 1 2 378.274 2.031 20 0 GEADLO Cn1cnnc1CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000134488255 532257489 /nfs/dbraw/zinc/25/74/89/532257489.db2.gz JMUMQALEBZHNNJ-OAHLLOKOSA-N 1 2 378.274 2.031 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1Br ZINC000180347916 532268535 /nfs/dbraw/zinc/26/85/35/532268535.db2.gz XMMMKLVLRUHLOM-CYBMUJFWSA-N 1 2 399.310 2.287 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000135263817 532268706 /nfs/dbraw/zinc/26/87/06/532268706.db2.gz LIOWUGSHVJLWJM-PHIMTYICSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1Br ZINC000135263817 532268709 /nfs/dbraw/zinc/26/87/09/532268709.db2.gz LIOWUGSHVJLWJM-PHIMTYICSA-N 1 2 377.304 2.171 20 0 GEADLO O=C(c1ccc(Br)cc1C(F)(F)F)N1CC[NH+](CCO)CC1 ZINC000180359533 532268988 /nfs/dbraw/zinc/26/89/88/532268988.db2.gz PHQMKZUYPKMAHB-UHFFFAOYSA-N 1 2 381.192 2.218 20 0 GEADLO O=S(=O)([C@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C1)N1CCCC1 ZINC000135712143 532278713 /nfs/dbraw/zinc/27/87/13/532278713.db2.gz NWSULWMPKPPKPV-INIZCTEOSA-N 1 2 386.901 2.206 20 0 GEADLO O=S(=O)([C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1)N1CCCC1 ZINC000135712143 532278716 /nfs/dbraw/zinc/27/87/16/532278716.db2.gz NWSULWMPKPPKPV-INIZCTEOSA-N 1 2 386.901 2.206 20 0 GEADLO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1cccnc1Cl ZINC000180885492 532284712 /nfs/dbraw/zinc/28/47/12/532284712.db2.gz BVUFQZRNJDTMQA-ZDUSSCGKSA-N 1 2 383.901 2.199 20 0 GEADLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1cc2c(c(Br)c1)OCO2 ZINC000137051597 532288598 /nfs/dbraw/zinc/28/85/98/532288598.db2.gz ILMNEVMPWAYYIW-UHFFFAOYSA-N 1 2 378.288 2.433 20 0 GEADLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cc2c(c(Br)c1)OCO2 ZINC000137051597 532288600 /nfs/dbraw/zinc/28/86/00/532288600.db2.gz ILMNEVMPWAYYIW-UHFFFAOYSA-N 1 2 378.288 2.433 20 0 GEADLO O=C1NC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4Cl)s3)CCN2C1=O ZINC000180485484 532273154 /nfs/dbraw/zinc/27/31/54/532273154.db2.gz SDLJEMYDUTUKEB-GFCCVEGCSA-N 1 2 375.881 2.211 20 0 GEADLO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4Cl)s3)CCN2C1=O ZINC000180485484 532273156 /nfs/dbraw/zinc/27/31/56/532273156.db2.gz SDLJEMYDUTUKEB-GFCCVEGCSA-N 1 2 375.881 2.211 20 0 GEADLO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000139773502 532294006 /nfs/dbraw/zinc/29/40/06/532294006.db2.gz GVFMNPMFOKEIIK-GFCCVEGCSA-N 1 2 381.420 2.070 20 0 GEADLO CCOC(=O)CSc1nnc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000144685151 532297139 /nfs/dbraw/zinc/29/71/39/532297139.db2.gz IRSHAZRLUCFUBQ-ZDUSSCGKSA-N 1 2 380.495 2.435 20 0 GEADLO Cc1csc(=O)n1CC[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000145502638 532297702 /nfs/dbraw/zinc/29/77/02/532297702.db2.gz WHYFXIXTGLFDBL-UHFFFAOYSA-N 1 2 379.913 2.259 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000150975074 532305030 /nfs/dbraw/zinc/30/50/30/532305030.db2.gz DBFSWDHAQOXVJQ-SNVBAGLBSA-N 1 2 376.404 2.279 20 0 GEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000150975074 532305031 /nfs/dbraw/zinc/30/50/31/532305031.db2.gz DBFSWDHAQOXVJQ-SNVBAGLBSA-N 1 2 376.404 2.279 20 0 GEADLO CS(=O)(=O)C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000181764373 532306244 /nfs/dbraw/zinc/30/62/44/532306244.db2.gz STFNUGNUZMBGTB-INIZCTEOSA-N 1 2 378.519 2.008 20 0 GEADLO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000151062971 532306319 /nfs/dbraw/zinc/30/63/19/532306319.db2.gz KEZLRKOGURKEBS-ZDUSSCGKSA-N 1 2 386.279 2.078 20 0 GEADLO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000151062971 532306321 /nfs/dbraw/zinc/30/63/21/532306321.db2.gz KEZLRKOGURKEBS-ZDUSSCGKSA-N 1 2 386.279 2.078 20 0 GEADLO CS(=O)(=O)C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccccc1 ZINC000181772427 532306382 /nfs/dbraw/zinc/30/63/82/532306382.db2.gz NMFZWYFULQZVKF-KRWDZBQOSA-N 1 2 380.897 2.332 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000181885292 532307385 /nfs/dbraw/zinc/30/73/85/532307385.db2.gz CUXVBMILJCZLHQ-UHFFFAOYSA-N 1 2 388.917 2.420 20 0 GEADLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000137552050 532290243 /nfs/dbraw/zinc/29/02/43/532290243.db2.gz FNVMDVFOHHAKRX-SNVBAGLBSA-N 1 2 389.283 2.486 20 0 GEADLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000137552050 532290244 /nfs/dbraw/zinc/29/02/44/532290244.db2.gz FNVMDVFOHHAKRX-SNVBAGLBSA-N 1 2 389.283 2.486 20 0 GEADLO COc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)nc1Br ZINC000182689437 532316433 /nfs/dbraw/zinc/31/64/33/532316433.db2.gz RRUJWXXKJUODRP-UHFFFAOYSA-N 1 2 388.225 2.363 20 0 GEADLO O=C(NCCCn1ccnn1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000182958151 532319752 /nfs/dbraw/zinc/31/97/52/532319752.db2.gz ALSOMWNSQAGFQQ-MRXNPFEDSA-N 1 2 392.301 2.384 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000183120155 532321566 /nfs/dbraw/zinc/32/15/66/532321566.db2.gz UVPJSFRBYPWOIY-NSHDSACASA-N 1 2 389.315 2.067 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000183120155 532321569 /nfs/dbraw/zinc/32/15/69/532321569.db2.gz UVPJSFRBYPWOIY-NSHDSACASA-N 1 2 389.315 2.067 20 0 GEADLO CC[C@@H]([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1nccs1 ZINC000185114668 532336876 /nfs/dbraw/zinc/33/68/76/532336876.db2.gz CMJWICNGUYKFJL-LSDHHAIUSA-N 1 2 385.555 2.142 20 0 GEADLO Nc1cc(Br)ccc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000185247042 532337406 /nfs/dbraw/zinc/33/74/06/532337406.db2.gz RMDHVOGWXQMUTR-UHFFFAOYSA-N 1 2 391.269 2.193 20 0 GEADLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000185791487 532338741 /nfs/dbraw/zinc/33/87/41/532338741.db2.gz RUOQGGBDHQNWOT-CXAGYDPISA-N 1 2 384.929 2.211 20 0 GEADLO COCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000186276350 532340334 /nfs/dbraw/zinc/34/03/34/532340334.db2.gz VQZLTYVOTYAXFV-UHFFFAOYSA-N 1 2 386.823 2.312 20 0 GEADLO CN(C)C(=O)C[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000186597400 532341300 /nfs/dbraw/zinc/34/13/00/532341300.db2.gz OVAFAKMRSLXBJU-UHFFFAOYSA-N 1 2 379.096 2.314 20 0 GEADLO CN(C)C(=O)C[N@@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000186597400 532341301 /nfs/dbraw/zinc/34/13/01/532341301.db2.gz OVAFAKMRSLXBJU-UHFFFAOYSA-N 1 2 379.096 2.314 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)CC1 ZINC000186801647 532342111 /nfs/dbraw/zinc/34/21/11/532342111.db2.gz AAGFEKNGRBVGTJ-UONOGXRCSA-N 1 2 397.313 2.183 20 0 GEADLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2cccc(Br)c2OC)CC1 ZINC000186880329 532342401 /nfs/dbraw/zinc/34/24/01/532342401.db2.gz GFHUGQDQNJPMGN-AWEZNQCLSA-N 1 2 398.345 2.490 20 0 GEADLO CCN(C(=O)[C@@H](C)[NH+]1CCC(c2ccsc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000186923645 532342608 /nfs/dbraw/zinc/34/26/08/532342608.db2.gz AGGLWHAYEMSDPF-PBHICJAKSA-N 1 2 384.567 2.352 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)c1ccsc1 ZINC000186928320 532342696 /nfs/dbraw/zinc/34/26/96/532342696.db2.gz CDIJCGPHXSWWGL-JKSUJKDBSA-N 1 2 384.567 2.462 20 0 GEADLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000187001165 532343012 /nfs/dbraw/zinc/34/30/12/532343012.db2.gz JWQMPXVGEGPBRO-JQWIXIFHSA-N 1 2 391.693 2.005 20 0 GEADLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000187001165 532343013 /nfs/dbraw/zinc/34/30/13/532343013.db2.gz JWQMPXVGEGPBRO-JQWIXIFHSA-N 1 2 391.693 2.005 20 0 GEADLO Cc1nc(C)c(S(=O)(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)s1 ZINC000187116830 532343289 /nfs/dbraw/zinc/34/32/89/532343289.db2.gz MPCFWPFWKIDNAD-UHFFFAOYSA-N 1 2 380.539 2.308 20 0 GEADLO CNC(=O)Cc1nc(C[NH2+][C@@H](CO)c2cccc(Br)c2)cs1 ZINC000183896361 532329841 /nfs/dbraw/zinc/32/98/41/532329841.db2.gz KUQLXTGDDMCXFZ-ZDUSSCGKSA-N 1 2 384.299 2.017 20 0 GEADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CSc2nnnn2C2CC2)CC1 ZINC000184362091 532332447 /nfs/dbraw/zinc/33/24/47/532332447.db2.gz IYMRJGWRWMYNIA-LBPRGKRZSA-N 1 2 378.527 2.067 20 0 GEADLO CSC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000187802291 532345655 /nfs/dbraw/zinc/34/56/55/532345655.db2.gz OJKSWMSCKXHJPB-NSHDSACASA-N 1 2 399.365 2.024 20 0 GEADLO CCC(C)(C)NC(=O)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191320870 532360547 /nfs/dbraw/zinc/36/05/47/532360547.db2.gz JBZQROYXSKOSOY-UHFFFAOYSA-N 1 2 379.452 2.374 20 0 GEADLO CCC(C)(C)NC(=O)C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191320870 532360548 /nfs/dbraw/zinc/36/05/48/532360548.db2.gz JBZQROYXSKOSOY-UHFFFAOYSA-N 1 2 379.452 2.374 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000188279564 532347671 /nfs/dbraw/zinc/34/76/71/532347671.db2.gz MEARGRLAVIFYSK-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000188460094 532348335 /nfs/dbraw/zinc/34/83/35/532348335.db2.gz FWPPKYFJHCILCP-OAHLLOKOSA-N 1 2 391.269 2.032 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCCOCC2)cc1Cl ZINC000189099363 532350931 /nfs/dbraw/zinc/35/09/31/532350931.db2.gz JNXAXTRZRBWTFK-UHFFFAOYSA-N 1 2 383.297 2.003 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)NCC[N@H+]2CCCOCC2)cc1Cl ZINC000189099363 532350932 /nfs/dbraw/zinc/35/09/32/532350932.db2.gz JNXAXTRZRBWTFK-UHFFFAOYSA-N 1 2 383.297 2.003 20 0 GEADLO CC[N@@H+](CC(=O)NCCc1nc2ccccc2s1)C[C@H](O)C(F)(F)F ZINC000189448683 532352312 /nfs/dbraw/zinc/35/23/12/532352312.db2.gz QCKLNUCMIUBPJM-ZDUSSCGKSA-N 1 2 375.416 2.200 20 0 GEADLO CC[N@H+](CC(=O)NCCc1nc2ccccc2s1)C[C@H](O)C(F)(F)F ZINC000189448683 532352313 /nfs/dbraw/zinc/35/23/13/532352313.db2.gz QCKLNUCMIUBPJM-ZDUSSCGKSA-N 1 2 375.416 2.200 20 0 GEADLO COC[C@@H](C)C[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000189564967 532352747 /nfs/dbraw/zinc/35/27/47/532352747.db2.gz AYDBXPSYBRPPMK-NSHDSACASA-N 1 2 397.360 2.099 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)CC1 ZINC000189725801 532353473 /nfs/dbraw/zinc/35/34/73/532353473.db2.gz AAGFEKNGRBVGTJ-KBPBESRZSA-N 1 2 397.313 2.183 20 0 GEADLO COCCC[N@H+](CCO)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000189922787 532354031 /nfs/dbraw/zinc/35/40/31/532354031.db2.gz BMQYUAOOVAEKCV-UHFFFAOYSA-N 1 2 384.274 2.254 20 0 GEADLO COCCC[N@@H+](CCO)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000189922787 532354032 /nfs/dbraw/zinc/35/40/32/532354032.db2.gz BMQYUAOOVAEKCV-UHFFFAOYSA-N 1 2 384.274 2.254 20 0 GEADLO COc1nc(N2CC[NH+](Cc3cncc(C)c3)CC2)ncc1Br ZINC000189918211 532354099 /nfs/dbraw/zinc/35/40/99/532354099.db2.gz ZCFAITVTWOMSSE-UHFFFAOYSA-N 1 2 378.274 2.273 20 0 GEADLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)CC1 ZINC000189961180 532354225 /nfs/dbraw/zinc/35/42/25/532354225.db2.gz OVBGSRUCEANNBR-UHFFFAOYSA-N 1 2 380.432 2.134 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000190364197 532355764 /nfs/dbraw/zinc/35/57/64/532355764.db2.gz NRNMHKBPEFJUMW-HNNXBMFYSA-N 1 2 378.897 2.352 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000190364197 532355765 /nfs/dbraw/zinc/35/57/65/532355765.db2.gz NRNMHKBPEFJUMW-HNNXBMFYSA-N 1 2 378.897 2.352 20 0 GEADLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C1 ZINC000190588619 532356954 /nfs/dbraw/zinc/35/69/54/532356954.db2.gz TUGCUSYEXQDWQE-OAHLLOKOSA-N 1 2 388.917 2.128 20 0 GEADLO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C1 ZINC000190588619 532356955 /nfs/dbraw/zinc/35/69/55/532356955.db2.gz TUGCUSYEXQDWQE-OAHLLOKOSA-N 1 2 388.917 2.128 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C1 ZINC000190588637 532356976 /nfs/dbraw/zinc/35/69/76/532356976.db2.gz TUGCUSYEXQDWQE-HNNXBMFYSA-N 1 2 388.917 2.128 20 0 GEADLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C1 ZINC000190588637 532356977 /nfs/dbraw/zinc/35/69/77/532356977.db2.gz TUGCUSYEXQDWQE-HNNXBMFYSA-N 1 2 388.917 2.128 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ncc(Br)cc3F)C2=O)n(C)n1 ZINC000187356963 532344157 /nfs/dbraw/zinc/34/41/57/532344157.db2.gz HQMVVPGTNWKRTN-ZWNOBZJWSA-N 1 2 396.264 2.481 20 0 GEADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191319552 532360536 /nfs/dbraw/zinc/36/05/36/532360536.db2.gz BLMRQHRVRLBDLQ-GHMZBOCLSA-N 1 2 379.452 2.372 20 0 GEADLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191319552 532360537 /nfs/dbraw/zinc/36/05/37/532360537.db2.gz BLMRQHRVRLBDLQ-GHMZBOCLSA-N 1 2 379.452 2.372 20 0 GEADLO CSC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000187732716 532345230 /nfs/dbraw/zinc/34/52/30/532345230.db2.gz XUXJAKXEPNBACF-LBPRGKRZSA-N 1 2 399.365 2.024 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000425200415 532372035 /nfs/dbraw/zinc/37/20/35/532372035.db2.gz HUAYDRFVZDXMDT-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@H]1C ZINC000677422045 532372903 /nfs/dbraw/zinc/37/29/03/532372903.db2.gz FLNYEUMQFWDFOM-SECBINFHSA-N 1 2 383.258 2.442 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C[C@H]1C ZINC000677422045 532372907 /nfs/dbraw/zinc/37/29/07/532372907.db2.gz FLNYEUMQFWDFOM-SECBINFHSA-N 1 2 383.258 2.442 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000425202318 532373303 /nfs/dbraw/zinc/37/33/03/532373303.db2.gz KRZLNHMVSRNLOC-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000294647805 532374080 /nfs/dbraw/zinc/37/40/80/532374080.db2.gz GNVBTIFORHVMLG-UHFFFAOYSA-N 1 2 393.285 2.039 20 0 GEADLO CSc1ccc([C@@H](CNC(=O)CS(=O)(=O)C2CCCC2)[NH+](C)C)cc1 ZINC000294687490 532375932 /nfs/dbraw/zinc/37/59/32/532375932.db2.gz GBYXKMWXTVUQOI-QGZVFWFLSA-N 1 2 384.567 2.485 20 0 GEADLO O=C(CCOc1cccc(I)c1)NCCn1cc[nH+]c1 ZINC000278386990 532376788 /nfs/dbraw/zinc/37/67/88/532376788.db2.gz IKUJJNAUKUNWMM-UHFFFAOYSA-N 1 2 385.205 2.073 20 0 GEADLO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000622073070 532377108 /nfs/dbraw/zinc/37/71/08/532377108.db2.gz ILZOZGSJBFPSJE-GFCCVEGCSA-N 1 2 397.269 2.115 20 0 GEADLO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191613107 532361617 /nfs/dbraw/zinc/36/16/17/532361617.db2.gz IRDNNKYOJGPXJX-KRWDZBQOSA-N 1 2 396.329 2.386 20 0 GEADLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191613107 532361618 /nfs/dbraw/zinc/36/16/18/532361618.db2.gz IRDNNKYOJGPXJX-KRWDZBQOSA-N 1 2 396.329 2.386 20 0 GEADLO CN1CC[N@H+](C)C[C@@H]1c1noc([C@H]2COc3ccc(Br)cc32)n1 ZINC000371915310 532362211 /nfs/dbraw/zinc/36/22/11/532362211.db2.gz MBVSHRYCMFYCPN-QWHCGFSZSA-N 1 2 379.258 2.275 20 0 GEADLO CN1CC[N@@H+](C)C[C@@H]1c1noc([C@H]2COc3ccc(Br)cc32)n1 ZINC000371915310 532362214 /nfs/dbraw/zinc/36/22/14/532362214.db2.gz MBVSHRYCMFYCPN-QWHCGFSZSA-N 1 2 379.258 2.275 20 0 GEADLO C[C@H](C(=O)NCc1cccs1)[S@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000463024988 532364632 /nfs/dbraw/zinc/36/46/32/532364632.db2.gz ZZAHWSSOFCLORA-VKTRGTBVSA-N 1 2 379.429 2.461 20 0 GEADLO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000371958336 532365060 /nfs/dbraw/zinc/36/50/60/532365060.db2.gz DWFNSBJYYJQVHP-CYBMUJFWSA-N 1 2 382.873 2.291 20 0 GEADLO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000371958337 532365107 /nfs/dbraw/zinc/36/51/07/532365107.db2.gz DWFNSBJYYJQVHP-ZDUSSCGKSA-N 1 2 382.873 2.291 20 0 GEADLO O=C(NCc1cc(Br)cc2c1OCC2)[C@H]1CCc2c[nH+]cn2C1 ZINC000515487530 532365493 /nfs/dbraw/zinc/36/54/93/532365493.db2.gz XABYVBHXQRBBNC-LBPRGKRZSA-N 1 2 376.254 2.459 20 0 GEADLO COc1ccc(Br)cc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000557580177 532369803 /nfs/dbraw/zinc/36/98/03/532369803.db2.gz YTBFKHUBEKBYGI-GXTWGEPZSA-N 1 2 383.286 2.393 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000278424205 532380226 /nfs/dbraw/zinc/38/02/26/532380226.db2.gz ZOYYUIOSSFKRNO-GXTWGEPZSA-N 1 2 391.295 2.278 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000278424205 532380233 /nfs/dbraw/zinc/38/02/33/532380233.db2.gz ZOYYUIOSSFKRNO-GXTWGEPZSA-N 1 2 391.295 2.278 20 0 GEADLO C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)c2[nH+]ccn21 ZINC000622880117 532380964 /nfs/dbraw/zinc/38/09/64/532380964.db2.gz LYPRADCHKKRKIH-JOYOIKCWSA-N 1 2 388.229 2.057 20 0 GEADLO CCSCC[C@H](C)N(C)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000516159540 532380959 /nfs/dbraw/zinc/38/09/59/532380959.db2.gz QQKQTRSMDYGXLH-HNNXBMFYSA-N 1 2 383.583 2.382 20 0 GEADLO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1c[nH]nc1C(F)(F)F ZINC000647891376 532382871 /nfs/dbraw/zinc/38/28/71/532382871.db2.gz YJFBSGQAECUCBM-JTQLQIEISA-N 1 2 378.376 2.137 20 0 GEADLO O=S(=O)(c1ccc(-c2ccc(Cl)s2)cc1)N1CC[NH+](CCO)CC1 ZINC000623169973 532384743 /nfs/dbraw/zinc/38/47/43/532384743.db2.gz VBWAJXNCJUQGPC-UHFFFAOYSA-N 1 2 386.926 2.367 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000463850511 532385073 /nfs/dbraw/zinc/38/50/73/532385073.db2.gz NOOCOTGZWBSEFI-UHFFFAOYSA-N 1 2 377.447 2.403 20 0 GEADLO CCC[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000463872284 532385131 /nfs/dbraw/zinc/38/51/31/532385131.db2.gz DAJZHEVGOWBXGE-QGZVFWFLSA-N 1 2 376.469 2.448 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000648219309 532388318 /nfs/dbraw/zinc/38/83/18/532388318.db2.gz VSPVSHUMADXFOH-UHFFFAOYSA-N 1 2 389.265 2.437 20 0 GEADLO Cc1cccc(CCSc2ccc(S(=O)(=O)N3CCOCC3)cn2)[nH+]1 ZINC000516649913 532389134 /nfs/dbraw/zinc/38/91/34/532389134.db2.gz DEIUTXKEKXKVRH-UHFFFAOYSA-N 1 2 379.507 2.141 20 0 GEADLO CN(C1CC[NH+](Cc2cccc(F)c2Br)CC1)S(C)(=O)=O ZINC000294899630 532389893 /nfs/dbraw/zinc/38/98/93/532389893.db2.gz RWPAWVCPTJMZMO-UHFFFAOYSA-N 1 2 379.295 2.444 20 0 GEADLO CN1CC[C@@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)S1(=O)=O ZINC000648266240 532390518 /nfs/dbraw/zinc/39/05/18/532390518.db2.gz SSFVAEZXYQBHKJ-HNNXBMFYSA-N 1 2 381.841 2.500 20 0 GEADLO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623926087 532391876 /nfs/dbraw/zinc/39/18/76/532391876.db2.gz YEVZCWZECNFBSU-AAEUAGOBSA-N 1 2 386.290 2.149 20 0 GEADLO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623926087 532391881 /nfs/dbraw/zinc/39/18/81/532391881.db2.gz YEVZCWZECNFBSU-AAEUAGOBSA-N 1 2 386.290 2.149 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000623970456 532392825 /nfs/dbraw/zinc/39/28/25/532392825.db2.gz OXJKKIGRCBUVQQ-TYNCELHUSA-N 1 2 386.265 2.074 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000623970456 532392830 /nfs/dbraw/zinc/39/28/30/532392830.db2.gz OXJKKIGRCBUVQQ-TYNCELHUSA-N 1 2 386.265 2.074 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)ncc1Cl ZINC000279261305 532392984 /nfs/dbraw/zinc/39/29/84/532392984.db2.gz IFHNWTHPUIOUGA-JTQLQIEISA-N 1 2 376.682 2.290 20 0 GEADLO Cc1cccn2cc(CCNC(=O)c3cnn4cc(Br)cnc34)[nH+]c12 ZINC000678314929 532393046 /nfs/dbraw/zinc/39/30/46/532393046.db2.gz GPMUCBZMYIEIPO-UHFFFAOYSA-N 1 2 399.252 2.420 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@](COC)(C(=O)OC)C1 ZINC000294993157 532393788 /nfs/dbraw/zinc/39/37/88/532393788.db2.gz HUICZGYNVAHPEB-KRWDZBQOSA-N 1 2 389.901 2.145 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@](COC)(C(=O)OC)C1 ZINC000294993157 532393795 /nfs/dbraw/zinc/39/37/95/532393795.db2.gz HUICZGYNVAHPEB-KRWDZBQOSA-N 1 2 389.901 2.145 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]2COC[C@@H]21)Nc1cccc(I)c1 ZINC000590972387 532394504 /nfs/dbraw/zinc/39/45/04/532394504.db2.gz PDHWHBLJYVHRAS-RISCZKNCSA-N 1 2 386.233 2.341 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]2COC[C@@H]21)Nc1cccc(I)c1 ZINC000590972387 532394508 /nfs/dbraw/zinc/39/45/08/532394508.db2.gz PDHWHBLJYVHRAS-RISCZKNCSA-N 1 2 386.233 2.341 20 0 GEADLO C[C@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)c1cc(F)c(Br)cc1F ZINC000624548259 532397747 /nfs/dbraw/zinc/39/77/47/532397747.db2.gz JIBPHBYDONPOAK-VHSXEESVSA-N 1 2 392.244 2.418 20 0 GEADLO C[C@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)c1cc(F)c(Br)cc1F ZINC000624548259 532397749 /nfs/dbraw/zinc/39/77/49/532397749.db2.gz JIBPHBYDONPOAK-VHSXEESVSA-N 1 2 392.244 2.418 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccsc1C(=O)OC ZINC000192243535 532397942 /nfs/dbraw/zinc/39/79/42/532397942.db2.gz XBGXESIRPHUISW-UHFFFAOYSA-N 1 2 385.511 2.395 20 0 GEADLO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000678627264 532400138 /nfs/dbraw/zinc/40/01/38/532400138.db2.gz CLWZTRXORIRLJC-HUUCEWRRSA-N 1 2 375.296 2.140 20 0 GEADLO COC(=O)C[C@@]1([NH2+]Cc2nnc(-c3ccccc3Br)o2)CCOC1 ZINC000464603828 532400664 /nfs/dbraw/zinc/40/06/64/532400664.db2.gz BAWODKZDXVDWOC-INIZCTEOSA-N 1 2 396.241 2.311 20 0 GEADLO COC(=O)C[C@]1([NH2+]Cc2nc(-c3cccc(Br)c3)no2)CCOC1 ZINC000464619826 532401075 /nfs/dbraw/zinc/40/10/75/532401075.db2.gz DWMQGVAHEJSIMR-MRXNPFEDSA-N 1 2 396.241 2.311 20 0 GEADLO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000591228597 532403454 /nfs/dbraw/zinc/40/34/54/532403454.db2.gz OKGIPZIXYLTHMA-VXGBXAGGSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000591228597 532403459 /nfs/dbraw/zinc/40/34/59/532403459.db2.gz OKGIPZIXYLTHMA-VXGBXAGGSA-N 1 2 389.265 2.192 20 0 GEADLO Cc1nc([C@H]2COCCN2Cc2cn3cc(Br)ccc3[nH+]2)no1 ZINC000679440297 532403478 /nfs/dbraw/zinc/40/34/78/532403478.db2.gz LQBWRWQLEKFLQB-CYBMUJFWSA-N 1 2 378.230 2.362 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)COc1ccc(Br)cc1Cl ZINC000591226263 532403533 /nfs/dbraw/zinc/40/35/33/532403533.db2.gz SWRZLJZHQXKVDQ-NSHDSACASA-N 1 2 391.693 2.318 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)COc1ccc(Br)cc1Cl ZINC000591226263 532403540 /nfs/dbraw/zinc/40/35/40/532403540.db2.gz SWRZLJZHQXKVDQ-NSHDSACASA-N 1 2 391.693 2.318 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCCc2nc(C(F)(F)F)cs2)CCO1 ZINC000426021285 532402379 /nfs/dbraw/zinc/40/23/79/532402379.db2.gz YXLYEELUNAYNSC-LLVKDONJSA-N 1 2 380.436 2.114 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCc2nc(C(F)(F)F)cs2)CCO1 ZINC000426021285 532402383 /nfs/dbraw/zinc/40/23/83/532402383.db2.gz YXLYEELUNAYNSC-LLVKDONJSA-N 1 2 380.436 2.114 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000295128748 532405441 /nfs/dbraw/zinc/40/54/41/532405441.db2.gz BZYZVBQGNLAMCZ-MNOVXSKESA-N 1 2 395.257 2.332 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000295128748 532405447 /nfs/dbraw/zinc/40/54/47/532405447.db2.gz BZYZVBQGNLAMCZ-MNOVXSKESA-N 1 2 395.257 2.332 20 0 GEADLO Cc1nc(N2CCN(c3ccc(I)cn3)CC2)cc[nH+]1 ZINC000295140303 532407741 /nfs/dbraw/zinc/40/77/41/532407741.db2.gz ZJRZDCUDHYDWFL-UHFFFAOYSA-N 1 2 381.221 2.111 20 0 GEADLO COc1cc(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc(Cl)c1OCC(N)=O ZINC000679741081 532408519 /nfs/dbraw/zinc/40/85/19/532408519.db2.gz UCUVIBCEFORSOI-NSHDSACASA-N 1 2 378.803 2.416 20 0 GEADLO COc1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)cc(Cl)c1OCC(N)=O ZINC000679741081 532408527 /nfs/dbraw/zinc/40/85/27/532408527.db2.gz UCUVIBCEFORSOI-NSHDSACASA-N 1 2 378.803 2.416 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1c(F)cccc1Cl ZINC000372808366 532411299 /nfs/dbraw/zinc/41/12/99/532411299.db2.gz XOWLZOFBMNFCSI-SWLSCSKDSA-N 1 2 376.881 2.258 20 0 GEADLO COC(=O)CC[N@H+](Cc1nc(N(C)C)no1)Cc1cccc(Br)c1 ZINC000192820433 532413731 /nfs/dbraw/zinc/41/37/31/532413731.db2.gz ALLCPQXOQZTLJN-UHFFFAOYSA-N 1 2 397.273 2.463 20 0 GEADLO COC(=O)CC[N@@H+](Cc1nc(N(C)C)no1)Cc1cccc(Br)c1 ZINC000192820433 532413734 /nfs/dbraw/zinc/41/37/34/532413734.db2.gz ALLCPQXOQZTLJN-UHFFFAOYSA-N 1 2 397.273 2.463 20 0 GEADLO CC1(C)C[C@H](S(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CO1 ZINC000625153210 532414359 /nfs/dbraw/zinc/41/43/59/532414359.db2.gz PVDXWXJANIPCLV-SJORKVTESA-N 1 2 384.567 2.091 20 0 GEADLO CC1(C)C[C@H](S(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CO1 ZINC000625153210 532414365 /nfs/dbraw/zinc/41/43/65/532414365.db2.gz PVDXWXJANIPCLV-SJORKVTESA-N 1 2 384.567 2.091 20 0 GEADLO CC[NH+](CC)CC(=O)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000372850499 532413470 /nfs/dbraw/zinc/41/34/70/532413470.db2.gz RATWFEVRXLYYOZ-CYBMUJFWSA-N 1 2 389.315 2.126 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000517321747 532413544 /nfs/dbraw/zinc/41/35/44/532413544.db2.gz DKRGQOWKNQKYKD-UHFFFAOYSA-N 1 2 379.258 2.489 20 0 GEADLO COc1cc(CNC(=O)C2([NH+]3CCOCC3)CCC2)c(Br)cc1O ZINC000649195850 532415692 /nfs/dbraw/zinc/41/56/92/532415692.db2.gz WNSNHYAYVHFNTN-UHFFFAOYSA-N 1 2 399.285 2.034 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000560115414 532416366 /nfs/dbraw/zinc/41/63/66/532416366.db2.gz SFTVXBYUJQSXST-BLLLJJGKSA-N 1 2 397.317 2.315 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000560115414 532416376 /nfs/dbraw/zinc/41/63/76/532416376.db2.gz SFTVXBYUJQSXST-BLLLJJGKSA-N 1 2 397.317 2.315 20 0 GEADLO Cc1nc(CN2CC[NH+]([C@@H](C)C(=O)NCCc3cccs3)CC2)cs1 ZINC000193046441 532418807 /nfs/dbraw/zinc/41/88/07/532418807.db2.gz SMQZEBMGAUPDEC-AWEZNQCLSA-N 1 2 378.567 2.378 20 0 GEADLO O=S(=O)(CCC1CCCCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000649678294 532420726 /nfs/dbraw/zinc/42/07/26/532420726.db2.gz FIQBTNXCNBNJGN-KRWDZBQOSA-N 1 2 376.588 2.084 20 0 GEADLO Cn1c(-c2ncccn2)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000517719729 532423301 /nfs/dbraw/zinc/42/33/01/532423301.db2.gz PUSXWKOTUARROY-UHFFFAOYSA-N 1 2 375.889 2.309 20 0 GEADLO O=C(C[N@@H+]1CCC12CCCC2)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000649655691 532421560 /nfs/dbraw/zinc/42/15/60/532421560.db2.gz LMWMCVQSQHGPJC-HNNXBMFYSA-N 1 2 382.551 2.282 20 0 GEADLO O=C(C[N@H+]1CCC12CCCC2)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000649655691 532421561 /nfs/dbraw/zinc/42/15/61/532421561.db2.gz LMWMCVQSQHGPJC-HNNXBMFYSA-N 1 2 382.551 2.282 20 0 GEADLO C[C@H](C(=O)N(CCO)Cc1cc(Br)cs1)[NH+]1CCSCC1 ZINC000427539545 532426197 /nfs/dbraw/zinc/42/61/97/532426197.db2.gz IKQVSQLHYYIHHI-LLVKDONJSA-N 1 2 393.372 2.269 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(F)c(Br)c3)C2)o1 ZINC000295262108 532426909 /nfs/dbraw/zinc/42/69/09/532426909.db2.gz HBLPPCTZZZRIDQ-MFKMUULPSA-N 1 2 386.221 2.178 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(F)c(Br)c3)C2)o1 ZINC000295262108 532426914 /nfs/dbraw/zinc/42/69/14/532426914.db2.gz HBLPPCTZZZRIDQ-MFKMUULPSA-N 1 2 386.221 2.178 20 0 GEADLO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000193630130 532428107 /nfs/dbraw/zinc/42/81/07/532428107.db2.gz XSBONBOJQFLGPH-WFASDCNBSA-N 1 2 379.507 2.419 20 0 GEADLO Cn1cnc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000561047185 532428690 /nfs/dbraw/zinc/42/86/90/532428690.db2.gz PUDURMDYUNMXDI-UHFFFAOYSA-N 1 2 378.230 2.315 20 0 GEADLO CN1CC[C@H](C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000681331405 532427561 /nfs/dbraw/zinc/42/75/61/532427561.db2.gz GXBWFTXSBSGGAQ-AWEZNQCLSA-N 1 2 384.307 2.158 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CC3OCCCO3)[nH+]c12 ZINC000281643462 532429788 /nfs/dbraw/zinc/42/97/88/532429788.db2.gz QXZAXLDIZFHZHP-UHFFFAOYSA-N 1 2 382.258 2.217 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@H+](C)CCCCS(C)(=O)=O)c1 ZINC000649948106 532431414 /nfs/dbraw/zinc/43/14/14/532431414.db2.gz ZVKAALSCZRHLBK-HNNXBMFYSA-N 1 2 394.331 2.248 20 0 GEADLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)CCCCS(C)(=O)=O)c1 ZINC000649948106 532431421 /nfs/dbraw/zinc/43/14/21/532431421.db2.gz ZVKAALSCZRHLBK-HNNXBMFYSA-N 1 2 394.331 2.248 20 0 GEADLO CSc1ccc([C@@H](CNS(N)(=O)=O)[N@@H+]2CCc3sccc3C2)cc1 ZINC000193894736 532435595 /nfs/dbraw/zinc/43/55/95/532435595.db2.gz RQTFUSXOZOZERI-OAHLLOKOSA-N 1 2 383.564 2.363 20 0 GEADLO CSc1ccc([C@@H](CNS(N)(=O)=O)[N@H+]2CCc3sccc3C2)cc1 ZINC000193894736 532435601 /nfs/dbraw/zinc/43/56/01/532435601.db2.gz RQTFUSXOZOZERI-OAHLLOKOSA-N 1 2 383.564 2.363 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(C)(C)CO ZINC000650113884 532436446 /nfs/dbraw/zinc/43/64/46/532436446.db2.gz DKOXLHRRHYGMFH-CYBMUJFWSA-N 1 2 375.853 2.251 20 0 GEADLO C[C@@H]1C[C@H](CO)CC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000626117614 532433681 /nfs/dbraw/zinc/43/36/81/532433681.db2.gz KZUFWQNCIHYYFM-CHWSQXEVSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H]1C[C@H](CO)CC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000626117614 532433692 /nfs/dbraw/zinc/43/36/92/532433692.db2.gz KZUFWQNCIHYYFM-CHWSQXEVSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000295328731 532434204 /nfs/dbraw/zinc/43/42/04/532434204.db2.gz MOXQCSKIIMRAEQ-FZMZJTMJSA-N 1 2 379.258 2.232 20 0 GEADLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000295328731 532434210 /nfs/dbraw/zinc/43/42/10/532434210.db2.gz MOXQCSKIIMRAEQ-FZMZJTMJSA-N 1 2 379.258 2.232 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccsc1 ZINC000561463806 532441077 /nfs/dbraw/zinc/44/10/77/532441077.db2.gz RQZBASUZOKBSMZ-DZGCQCFKSA-N 1 2 387.571 2.396 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccsc1 ZINC000561463807 532441262 /nfs/dbraw/zinc/44/12/62/532441262.db2.gz RQZBASUZOKBSMZ-HIFRSBDPSA-N 1 2 387.571 2.396 20 0 GEADLO CNc1[nH+]cnc2c1cnn2CC(=O)N(C)Cc1cc(Br)cs1 ZINC000194429800 532448769 /nfs/dbraw/zinc/44/87/69/532448769.db2.gz RCNHPAVIIQUVLV-UHFFFAOYSA-N 1 2 395.286 2.351 20 0 GEADLO Cc1ncccc1NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000467624113 532452236 /nfs/dbraw/zinc/45/22/36/532452236.db2.gz DLBIIGWBTZAQEZ-UHFFFAOYSA-N 1 2 388.225 2.055 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)NCCOc1ccc(Cl)cc1 ZINC000561738084 532450316 /nfs/dbraw/zinc/45/03/16/532450316.db2.gz AAMQHRVEIISYFT-UKRRQHHQSA-N 1 2 380.794 2.223 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)NCCOc1ccc(Cl)cc1 ZINC000561738084 532450321 /nfs/dbraw/zinc/45/03/21/532450321.db2.gz AAMQHRVEIISYFT-UKRRQHHQSA-N 1 2 380.794 2.223 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000518972941 532451124 /nfs/dbraw/zinc/45/11/24/532451124.db2.gz UAHLFNVGHKXVBN-CQSZACIVSA-N 1 2 389.327 2.307 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000518972941 532451130 /nfs/dbraw/zinc/45/11/30/532451130.db2.gz UAHLFNVGHKXVBN-CQSZACIVSA-N 1 2 389.327 2.307 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)NC2(c3ccccc3Br)CCC2)C1 ZINC000650865847 532456781 /nfs/dbraw/zinc/45/67/81/532456781.db2.gz UUBHSYZRVMOXOP-CQSZACIVSA-N 1 2 395.345 2.373 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC2(c3ccccc3Br)CCC2)C1 ZINC000650865847 532456785 /nfs/dbraw/zinc/45/67/85/532456785.db2.gz UUBHSYZRVMOXOP-CQSZACIVSA-N 1 2 395.345 2.373 20 0 GEADLO O=S1(=O)CCN(C2CC[NH+](Cc3cscc3C(F)(F)F)CC2)CC1 ZINC000519041543 532454667 /nfs/dbraw/zinc/45/46/67/532454667.db2.gz WXCSBZIPLRAJQO-UHFFFAOYSA-N 1 2 382.473 2.462 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000373525256 532455989 /nfs/dbraw/zinc/45/59/89/532455989.db2.gz YQMHRHXAZYIDJZ-KGLIPLIRSA-N 1 2 386.901 2.074 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000373525256 532455994 /nfs/dbraw/zinc/45/59/94/532455994.db2.gz YQMHRHXAZYIDJZ-KGLIPLIRSA-N 1 2 386.901 2.074 20 0 GEADLO CNS(=O)(=O)CCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428785821 532462405 /nfs/dbraw/zinc/46/24/05/532462405.db2.gz REDYUFMPCNSQQN-SWLSCSKDSA-N 1 2 380.432 2.407 20 0 GEADLO CNS(=O)(=O)CCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428785821 532462412 /nfs/dbraw/zinc/46/24/12/532462412.db2.gz REDYUFMPCNSQQN-SWLSCSKDSA-N 1 2 380.432 2.407 20 0 GEADLO Cn1cc(Br)c(CNC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)n1 ZINC000519180544 532459732 /nfs/dbraw/zinc/45/97/32/532459732.db2.gz VUOMONQHZRERCR-MRVPVSSYSA-N 1 2 394.195 2.269 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000651167370 532462643 /nfs/dbraw/zinc/46/26/43/532462643.db2.gz HNFMZEQZYGNECT-UHFFFAOYSA-N 1 2 381.885 2.005 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000519423463 532463786 /nfs/dbraw/zinc/46/37/86/532463786.db2.gz HIZOHDLKQAHIQX-AWEZNQCLSA-N 1 2 376.881 2.355 20 0 GEADLO Cc1ccn2cc(CNS(=O)(=O)c3cncc(Br)c3)[nH+]c2c1 ZINC000519483406 532464674 /nfs/dbraw/zinc/46/46/74/532464674.db2.gz GTRLLZZSTRJUCY-UHFFFAOYSA-N 1 2 381.255 2.279 20 0 GEADLO COCCN(Cc1cc(Br)cs1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000562439106 532467223 /nfs/dbraw/zinc/46/72/23/532467223.db2.gz WZVXJGCEQYVZHC-UHFFFAOYSA-N 1 2 397.302 2.423 20 0 GEADLO C[N@H+](Cc1ncc(Br)cc1Br)[C@@]1(CO)CCOC1 ZINC000628367552 532465080 /nfs/dbraw/zinc/46/50/80/532465080.db2.gz FCSFVTLHXSEUTI-GFCCVEGCSA-N 1 2 380.080 2.190 20 0 GEADLO C[N@@H+](Cc1ncc(Br)cc1Br)[C@@]1(CO)CCOC1 ZINC000628367552 532465084 /nfs/dbraw/zinc/46/50/84/532465084.db2.gz FCSFVTLHXSEUTI-GFCCVEGCSA-N 1 2 380.080 2.190 20 0 GEADLO C[C@H](c1nnnn1C)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000373739204 532467295 /nfs/dbraw/zinc/46/72/95/532467295.db2.gz VHDSZAVASSPOJI-LLVKDONJSA-N 1 2 393.289 2.384 20 0 GEADLO OC[C@H]([NH2+]Cc1ncnn1CC(F)F)c1ccc(Br)c(F)c1 ZINC000429001259 532467839 /nfs/dbraw/zinc/46/78/39/532467839.db2.gz UNLMODMCUVCXFK-NSHDSACASA-N 1 2 379.180 2.268 20 0 GEADLO Nc1[nH+]cnc(N2CCC(O)(c3scnc3Br)CC2)c1Cl ZINC000373765324 532467939 /nfs/dbraw/zinc/46/79/39/532467939.db2.gz HQSWNOWHXFNJNI-UHFFFAOYSA-N 1 2 390.694 2.419 20 0 GEADLO Nc1nc[nH+]c(N2CCC(O)(c3scnc3Br)CC2)c1Cl ZINC000373765324 532467944 /nfs/dbraw/zinc/46/79/44/532467944.db2.gz HQSWNOWHXFNJNI-UHFFFAOYSA-N 1 2 390.694 2.419 20 0 GEADLO Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000428984541 532468025 /nfs/dbraw/zinc/46/80/25/532468025.db2.gz XQGNCXKRDQQDRC-DGCLKSJQSA-N 1 2 383.436 2.361 20 0 GEADLO Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000428984541 532468030 /nfs/dbraw/zinc/46/80/30/532468030.db2.gz XQGNCXKRDQQDRC-DGCLKSJQSA-N 1 2 383.436 2.361 20 0 GEADLO C[C@H](CCNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)[S@@](C)=O ZINC000429047246 532469586 /nfs/dbraw/zinc/46/95/86/532469586.db2.gz YLCIVHMHPDKRGY-VFHHBZAHSA-N 1 2 383.583 2.060 20 0 GEADLO C[C@H](CCNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)[S@@](C)=O ZINC000429047246 532469587 /nfs/dbraw/zinc/46/95/87/532469587.db2.gz YLCIVHMHPDKRGY-VFHHBZAHSA-N 1 2 383.583 2.060 20 0 GEADLO CNC(=O)N[C@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000468683834 532471597 /nfs/dbraw/zinc/47/15/97/532471597.db2.gz RGNJDTDBMXELIZ-LBPRGKRZSA-N 1 2 384.274 2.114 20 0 GEADLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000468683834 532471605 /nfs/dbraw/zinc/47/16/05/532471605.db2.gz RGNJDTDBMXELIZ-LBPRGKRZSA-N 1 2 384.274 2.114 20 0 GEADLO COc1ccc(Br)c(C[N@H+](C)CCN2C(=O)NC(C)(C)C2=O)c1 ZINC000429309801 532472468 /nfs/dbraw/zinc/47/24/68/532472468.db2.gz VGIASNZOJXBDHA-UHFFFAOYSA-N 1 2 384.274 2.220 20 0 GEADLO COc1ccc(Br)c(C[N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)c1 ZINC000429309801 532472475 /nfs/dbraw/zinc/47/24/75/532472475.db2.gz VGIASNZOJXBDHA-UHFFFAOYSA-N 1 2 384.274 2.220 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Br)cc1Br ZINC000628916931 532476721 /nfs/dbraw/zinc/47/67/21/532476721.db2.gz HJPLDGPTAWJSSN-SNVBAGLBSA-N 1 2 392.091 2.272 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Br)cc1Br ZINC000628916931 532476723 /nfs/dbraw/zinc/47/67/23/532476723.db2.gz HJPLDGPTAWJSSN-SNVBAGLBSA-N 1 2 392.091 2.272 20 0 GEADLO COc1cc(Br)c(Cl)cc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628914192 532476781 /nfs/dbraw/zinc/47/67/81/532476781.db2.gz YSXUNYPUZWZZNN-SECBINFHSA-N 1 2 377.666 2.172 20 0 GEADLO COc1cc(Br)c(Cl)cc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628914192 532476784 /nfs/dbraw/zinc/47/67/84/532476784.db2.gz YSXUNYPUZWZZNN-SECBINFHSA-N 1 2 377.666 2.172 20 0 GEADLO Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)c2cc(Br)ccc2n1 ZINC000628918503 532476859 /nfs/dbraw/zinc/47/68/59/532476859.db2.gz DEMIPVLMIKAOEH-CYBMUJFWSA-N 1 2 378.270 2.366 20 0 GEADLO Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)c2cc(Br)ccc2n1 ZINC000628918503 532476873 /nfs/dbraw/zinc/47/68/73/532476873.db2.gz DEMIPVLMIKAOEH-CYBMUJFWSA-N 1 2 378.270 2.366 20 0 GEADLO C[C@H](C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)[NH+]1CCSCC1 ZINC000628906687 532477679 /nfs/dbraw/zinc/47/76/79/532477679.db2.gz KNLYBHOQGKUEOG-RISCZKNCSA-N 1 2 385.892 2.138 20 0 GEADLO CCn1ncnc1C[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000684607442 532480962 /nfs/dbraw/zinc/48/09/62/532480962.db2.gz SUAOBGIQXNUPDN-AWEZNQCLSA-N 1 2 378.274 2.264 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000198367672 532482083 /nfs/dbraw/zinc/48/20/83/532482083.db2.gz LVJCOOYDKPJOAR-LBPRGKRZSA-N 1 2 384.293 2.373 20 0 GEADLO CN(C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629207231 532482243 /nfs/dbraw/zinc/48/22/43/532482243.db2.gz HSXSGZRMQJQOGJ-IMJJTQAJSA-N 1 2 394.313 2.308 20 0 GEADLO Ic1cc2ncnc(NCC[NH+]3CCOCC3)c2s1 ZINC000593459970 532482863 /nfs/dbraw/zinc/48/28/63/532482863.db2.gz XUVBZXTUFVPEEX-UHFFFAOYSA-N 1 2 390.250 2.040 20 0 GEADLO CC1=C(Br)C[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000374025084 532485174 /nfs/dbraw/zinc/48/51/74/532485174.db2.gz UVINLAVCEGUSDC-UHFFFAOYSA-N 1 2 398.345 2.222 20 0 GEADLO CC1=C(Br)C[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000374025084 532485181 /nfs/dbraw/zinc/48/51/81/532485181.db2.gz UVINLAVCEGUSDC-UHFFFAOYSA-N 1 2 398.345 2.222 20 0 GEADLO Cn1c[nH+]cc1CN1C(=O)[C@@H]2Cc3c(Br)cccc3CN2C1=O ZINC000562829164 532485449 /nfs/dbraw/zinc/48/54/49/532485449.db2.gz ZFGCMILCMMBHCQ-AWEZNQCLSA-N 1 2 375.226 2.072 20 0 GEADLO CCOCC1(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC1 ZINC000562956562 532490642 /nfs/dbraw/zinc/49/06/42/532490642.db2.gz QVVIVTIGAZNPMR-UHFFFAOYSA-N 1 2 384.274 2.436 20 0 GEADLO O=C1N[C@]2(CCc3cc(Br)ccc3C2)C(=O)N1CCn1cc[nH+]c1 ZINC000629444946 532492247 /nfs/dbraw/zinc/49/22/47/532492247.db2.gz VEHPKBZKWIANPY-KRWDZBQOSA-N 1 2 389.253 2.125 20 0 GEADLO COc1ccc(Br)c(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000685437123 532493635 /nfs/dbraw/zinc/49/36/35/532493635.db2.gz MYBYCFNIKBHYOG-AWEZNQCLSA-N 1 2 391.331 2.314 20 0 GEADLO COc1ccc(Br)c(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000685437123 532493640 /nfs/dbraw/zinc/49/36/40/532493640.db2.gz MYBYCFNIKBHYOG-AWEZNQCLSA-N 1 2 391.331 2.314 20 0 GEADLO C[C@@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000430259477 532494009 /nfs/dbraw/zinc/49/40/09/532494009.db2.gz OOPGVWYLABTSFT-CYBMUJFWSA-N 1 2 390.311 2.391 20 0 GEADLO COC(=O)CCNC(=O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296036418 532494985 /nfs/dbraw/zinc/49/49/85/532494985.db2.gz AEEFIJZBTOGFKG-UHFFFAOYSA-N 1 2 379.404 2.021 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c3cccnc23)CC1 ZINC000282773462 532494947 /nfs/dbraw/zinc/49/49/47/532494947.db2.gz DIHDFWUBXCODEI-UHFFFAOYSA-N 1 2 391.269 2.100 20 0 GEADLO Cn1cc[nH+]c1CN1CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000520688542 532497354 /nfs/dbraw/zinc/49/73/54/532497354.db2.gz TVGASAAXXOXRNF-UHFFFAOYSA-N 1 2 383.279 2.450 20 0 GEADLO C[C@@H](CC(=O)NC[C@H](O)COc1ccccc1Br)n1cc[nH+]c1 ZINC000651529696 532473820 /nfs/dbraw/zinc/47/38/20/532473820.db2.gz TXBBHSGSBMQXIE-STQMWFEESA-N 1 2 382.258 2.153 20 0 GEADLO C[C@H](CC(=O)NC[C@@H](O)COc1ccccc1Br)n1cc[nH+]c1 ZINC000651529693 532473916 /nfs/dbraw/zinc/47/39/16/532473916.db2.gz TXBBHSGSBMQXIE-CHWSQXEVSA-N 1 2 382.258 2.153 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cc(F)cc(Cl)c1)C(C)(C)CO ZINC000295771085 532473985 /nfs/dbraw/zinc/47/39/85/532473985.db2.gz PWVDXASMUWPAJK-ZDUSSCGKSA-N 1 2 375.853 2.251 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(Cl)cc1F)C(C)(C)CO ZINC000295783863 532475750 /nfs/dbraw/zinc/47/57/50/532475750.db2.gz QXQKEPCQVIABKK-CYBMUJFWSA-N 1 2 375.853 2.251 20 0 GEADLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000431607743 532518920 /nfs/dbraw/zinc/51/89/20/532518920.db2.gz UUZKYZXLRBOAPZ-UHFFFAOYSA-N 1 2 375.219 2.470 20 0 GEADLO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ncc(Br)cn1 ZINC000431100702 532506619 /nfs/dbraw/zinc/50/66/19/532506619.db2.gz VZAMPJWXUOTRPM-SCZZXKLOSA-N 1 2 381.196 2.443 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000296221966 532507747 /nfs/dbraw/zinc/50/77/47/532507747.db2.gz KGDGFZKMHWTHDG-QGZVFWFLSA-N 1 2 399.285 2.208 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000296221966 532507755 /nfs/dbraw/zinc/50/77/55/532507755.db2.gz KGDGFZKMHWTHDG-QGZVFWFLSA-N 1 2 399.285 2.208 20 0 GEADLO C[C@@H](C(=O)NCCc1c[nH]c2cccc(Br)c12)[NH+]1CCOCC1 ZINC000564223895 532519013 /nfs/dbraw/zinc/51/90/13/532519013.db2.gz GHURWBPWOWLRCN-LBPRGKRZSA-N 1 2 380.286 2.310 20 0 GEADLO Cc1csc(CNC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000282968376 532510496 /nfs/dbraw/zinc/51/04/96/532510496.db2.gz CLKKIQHESNWQMY-AWEZNQCLSA-N 1 2 380.901 2.140 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000296274509 532510772 /nfs/dbraw/zinc/51/07/72/532510772.db2.gz IQCCVRZPGJAJPP-ZDUSSCGKSA-N 1 2 384.889 2.088 20 0 GEADLO O=C(NC[C@@H]1CCC[NH2+]C1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000237939922 532513551 /nfs/dbraw/zinc/51/35/51/532513551.db2.gz OEUOEJSOFUUEEU-CYBMUJFWSA-N 1 2 379.507 2.278 20 0 GEADLO CCNc1nc(N[C@H](C)c2ncc(Br)cn2)nc(NC(C)(C)C)[nH+]1 ZINC000431507276 532514973 /nfs/dbraw/zinc/51/49/73/532514973.db2.gz RXDGJCOHFYVFGB-SECBINFHSA-N 1 2 395.309 2.083 20 0 GEADLO CCNc1nc(NC(C)(C)C)nc(N[C@H](C)c2ncc(Br)cn2)[nH+]1 ZINC000431507276 532514977 /nfs/dbraw/zinc/51/49/77/532514977.db2.gz RXDGJCOHFYVFGB-SECBINFHSA-N 1 2 395.309 2.083 20 0 GEADLO CCNc1nc(N[C@H](C)c2ncc(Br)cn2)[nH+]c(NC(C)(C)C)n1 ZINC000431507276 532514982 /nfs/dbraw/zinc/51/49/82/532514982.db2.gz RXDGJCOHFYVFGB-SECBINFHSA-N 1 2 395.309 2.083 20 0 GEADLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1oc2ccccc2c1Br ZINC000594605569 532515645 /nfs/dbraw/zinc/51/56/45/532515645.db2.gz AWYOOMFMMTXAQO-GFCCVEGCSA-N 1 2 395.253 2.449 20 0 GEADLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1oc2ccccc2c1Br ZINC000594605569 532515648 /nfs/dbraw/zinc/51/56/48/532515648.db2.gz AWYOOMFMMTXAQO-GFCCVEGCSA-N 1 2 395.253 2.449 20 0 GEADLO CCOC(=O)CC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000469985858 532516906 /nfs/dbraw/zinc/51/69/06/532516906.db2.gz QODAORPOYQYUTN-UHFFFAOYSA-N 1 2 389.279 2.470 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000374310764 532497606 /nfs/dbraw/zinc/49/76/06/532497606.db2.gz AMFYUNFPPYUSSY-CQSZACIVSA-N 1 2 394.244 2.404 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000374395242 532501274 /nfs/dbraw/zinc/50/12/74/532501274.db2.gz LSMJGMKRAOONJV-MRXNPFEDSA-N 1 2 379.869 2.273 20 0 GEADLO CC1(C)C[NH+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000563368832 532501448 /nfs/dbraw/zinc/50/14/48/532501448.db2.gz BERFVADHJNEZAU-UHFFFAOYSA-N 1 2 385.917 2.405 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)c1Br ZINC000374386096 532501422 /nfs/dbraw/zinc/50/14/22/532501422.db2.gz GLQMLBSOMSLUDH-LBPRGKRZSA-N 1 2 378.274 2.477 20 0 GEADLO Cc1nsc(C)c1C[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000653490460 532535083 /nfs/dbraw/zinc/53/50/83/532535083.db2.gz IUUWDNNVJNOQSV-UHFFFAOYSA-N 1 2 375.523 2.147 20 0 GEADLO O=C1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc[nH+]cc2N1 ZINC000470790823 532536789 /nfs/dbraw/zinc/53/67/89/532536789.db2.gz XXMBRDVOPLNSBU-UHFFFAOYSA-N 1 2 375.303 2.387 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000296736413 532537920 /nfs/dbraw/zinc/53/79/20/532537920.db2.gz CRPGJXBXDHFOAG-UTUOFQBUSA-N 1 2 378.420 2.251 20 0 GEADLO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)Cc1ccnn1C ZINC000471070950 532540595 /nfs/dbraw/zinc/54/05/95/532540595.db2.gz KBRRIOJUVFYXDT-LLVKDONJSA-N 1 2 398.248 2.484 20 0 GEADLO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)Cc1ccnn1C ZINC000471070950 532540600 /nfs/dbraw/zinc/54/06/00/532540600.db2.gz KBRRIOJUVFYXDT-LLVKDONJSA-N 1 2 398.248 2.484 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N(CCCO)C1CC1 ZINC000653698464 532540978 /nfs/dbraw/zinc/54/09/78/532540978.db2.gz CHBJTZKTRDGYID-UHFFFAOYSA-N 1 2 399.289 2.059 20 0 GEADLO C[C@H]1COCCCN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000653698547 532541277 /nfs/dbraw/zinc/54/12/77/532541277.db2.gz PJWAYTIAJXRKDG-LBPRGKRZSA-N 1 2 399.289 2.323 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCCC[C@@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000246580240 532541607 /nfs/dbraw/zinc/54/16/07/532541607.db2.gz HSPNRMWQYSENAO-GVDBMIGSSA-N 1 2 390.615 2.408 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCCC[C@@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000246580240 532541609 /nfs/dbraw/zinc/54/16/09/532541609.db2.gz HSPNRMWQYSENAO-GVDBMIGSSA-N 1 2 390.615 2.408 20 0 GEADLO Cn1cc(N2CC[C@@H]([NH2+]Cc3ncc(Br)cc3Cl)C2=O)cn1 ZINC000631076213 532541719 /nfs/dbraw/zinc/54/17/19/532541719.db2.gz XAHXDGLDBQYXGM-GFCCVEGCSA-N 1 2 384.665 2.126 20 0 GEADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1n[nH]cc1Br ZINC000526994728 532544113 /nfs/dbraw/zinc/54/41/13/532544113.db2.gz ILXOGKBRPOPXNQ-UHFFFAOYSA-N 1 2 384.184 2.425 20 0 GEADLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)N(C)CCOC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245577739 532521278 /nfs/dbraw/zinc/52/12/78/532521278.db2.gz FSUHLJYWIHOAGI-HZPDHXFCSA-N 1 2 393.912 2.027 20 0 GEADLO CC[N@H+]1CC[C@@H](NS(=O)(=O)N(C)CCOC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245577739 532521287 /nfs/dbraw/zinc/52/12/87/532521287.db2.gz FSUHLJYWIHOAGI-HZPDHXFCSA-N 1 2 393.912 2.027 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000470216039 532522476 /nfs/dbraw/zinc/52/24/76/532522476.db2.gz ZNAZUGBAHDWWDV-UHFFFAOYSA-N 1 2 383.286 2.201 20 0 GEADLO O=C(C[N@H+]1CCSC[C@H]1CCO)NCc1ccc(F)cc1C(F)(F)F ZINC000470217586 532522537 /nfs/dbraw/zinc/52/25/37/532522537.db2.gz HMCYZIGWIXLIGA-CYBMUJFWSA-N 1 2 380.407 2.261 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@H]1CCO)NCc1ccc(F)cc1C(F)(F)F ZINC000470217586 532522541 /nfs/dbraw/zinc/52/25/41/532522541.db2.gz HMCYZIGWIXLIGA-CYBMUJFWSA-N 1 2 380.407 2.261 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn([C@H]3CCCc4ccc(Cl)cc43)nn2)C1 ZINC000630618486 532523872 /nfs/dbraw/zinc/52/38/72/532523872.db2.gz XAIYFZYKMHTOGN-PBHICJAKSA-N 1 2 380.901 2.134 20 0 GEADLO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245915817 532525998 /nfs/dbraw/zinc/52/59/98/532525998.db2.gz RGWFIIRDYDAWHY-DZGCQCFKSA-N 1 2 382.302 2.214 20 0 GEADLO CCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245915817 532526002 /nfs/dbraw/zinc/52/60/02/532526002.db2.gz RGWFIIRDYDAWHY-DZGCQCFKSA-N 1 2 382.302 2.214 20 0 GEADLO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245893844 532526473 /nfs/dbraw/zinc/52/64/73/532526473.db2.gz SDBKRBZHOZZVPE-UKRRQHHQSA-N 1 2 382.302 2.214 20 0 GEADLO CCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245893844 532526479 /nfs/dbraw/zinc/52/64/79/532526479.db2.gz SDBKRBZHOZZVPE-UKRRQHHQSA-N 1 2 382.302 2.214 20 0 GEADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000245922498 532528297 /nfs/dbraw/zinc/52/82/97/532528297.db2.gz UWOZPALXCVCLML-DOMZBBRYSA-N 1 2 382.302 2.227 20 0 GEADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000245922498 532528301 /nfs/dbraw/zinc/52/83/01/532528301.db2.gz UWOZPALXCVCLML-DOMZBBRYSA-N 1 2 382.302 2.227 20 0 GEADLO CCOC(=O)C1(O)CC[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000471175679 532545311 /nfs/dbraw/zinc/54/53/11/532545311.db2.gz FNLGXYYZXSCWGK-XMMPIXPASA-N 1 2 394.320 2.491 20 0 GEADLO Brc1cncc(Br)c1C[NH2+]C1CN(c2ccncn2)C1 ZINC000631257009 532550911 /nfs/dbraw/zinc/55/09/11/532550911.db2.gz LUMBETNITMEGMJ-UHFFFAOYSA-N 1 2 399.090 2.375 20 0 GEADLO Cn1cc(-c2nc(C[NH2+]Cc3cc(S(C)(=O)=O)ccc3F)cs2)cn1 ZINC000527702797 532551524 /nfs/dbraw/zinc/55/15/24/532551524.db2.gz DUJQJMDXKHXJDH-UHFFFAOYSA-N 1 2 380.470 2.376 20 0 GEADLO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ncc(Br)cc2F)C1=O ZINC000527699260 532552177 /nfs/dbraw/zinc/55/21/77/532552177.db2.gz IQXJUDPMBPZUNL-ZDUSSCGKSA-N 1 2 396.264 2.485 20 0 GEADLO Cc1cc(NC[C@@H]2CCN(C(N)=O)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631276649 532552286 /nfs/dbraw/zinc/55/22/86/532552286.db2.gz RQUQSJOGGHMDMR-LBPRGKRZSA-N 1 2 390.285 2.449 20 0 GEADLO C[C@H]([NH2+]CC(=O)Nc1nnc(-c2ccco2)o1)c1ncc(Br)cn1 ZINC000432980847 532552406 /nfs/dbraw/zinc/55/24/06/532552406.db2.gz YMVFQWZWDNLLRI-QMMMGPOBSA-N 1 2 393.201 2.171 20 0 GEADLO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000248626912 532553698 /nfs/dbraw/zinc/55/36/98/532553698.db2.gz OLTJRTYUXNPUQI-ZWKOTPCHSA-N 1 2 387.567 2.446 20 0 GEADLO Cc1cccc(S(=O)(=O)CCC[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000248626912 532553707 /nfs/dbraw/zinc/55/37/07/532553707.db2.gz OLTJRTYUXNPUQI-ZWKOTPCHSA-N 1 2 387.567 2.446 20 0 GEADLO C[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cn1 ZINC000565289073 532555589 /nfs/dbraw/zinc/55/55/89/532555589.db2.gz WSTZKMKVRWFTDZ-BNOWGMLFSA-N 1 2 383.290 2.068 20 0 GEADLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cn1 ZINC000565289073 532555596 /nfs/dbraw/zinc/55/55/96/532555596.db2.gz WSTZKMKVRWFTDZ-BNOWGMLFSA-N 1 2 383.290 2.068 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000631680469 532556185 /nfs/dbraw/zinc/55/61/85/532556185.db2.gz QSFQLVZNPVPEAC-WBVHZDCISA-N 1 2 384.498 2.227 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000631680469 532556188 /nfs/dbraw/zinc/55/61/88/532556188.db2.gz QSFQLVZNPVPEAC-WBVHZDCISA-N 1 2 384.498 2.227 20 0 GEADLO C[C@H]1CSCC[N@H+](CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000249012762 532558577 /nfs/dbraw/zinc/55/85/77/532558577.db2.gz JROFGNVCQPQNMH-WBVHZDCISA-N 1 2 388.599 2.020 20 0 GEADLO C[C@H]1CSCC[N@@H+](CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)C1 ZINC000249012762 532558581 /nfs/dbraw/zinc/55/85/81/532558581.db2.gz JROFGNVCQPQNMH-WBVHZDCISA-N 1 2 388.599 2.020 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)NCCOc1ccc(I)cc1 ZINC000283820142 532560970 /nfs/dbraw/zinc/56/09/70/532560970.db2.gz SSUFZTXSJGMALS-UHFFFAOYSA-N 1 2 385.205 2.142 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)NCCOc1ccc(I)cc1 ZINC000283820142 532560981 /nfs/dbraw/zinc/56/09/81/532560981.db2.gz SSUFZTXSJGMALS-UHFFFAOYSA-N 1 2 385.205 2.142 20 0 GEADLO COC(=O)CCN1CC[C@@H]([N@@H+]2CCc3cc(Br)cc(C)c3C2)C1=O ZINC000595421391 532563887 /nfs/dbraw/zinc/56/38/87/532563887.db2.gz HXMRYJLFMGLKBH-MRXNPFEDSA-N 1 2 395.297 2.280 20 0 GEADLO COC(=O)CCN1CC[C@@H]([N@H+]2CCc3cc(Br)cc(C)c3C2)C1=O ZINC000595421391 532563893 /nfs/dbraw/zinc/56/38/93/532563893.db2.gz HXMRYJLFMGLKBH-MRXNPFEDSA-N 1 2 395.297 2.280 20 0 GEADLO CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249389350 532564642 /nfs/dbraw/zinc/56/46/42/532564642.db2.gz XSHUKQLPYJJLTD-ZBFHGGJFSA-N 1 2 380.286 2.155 20 0 GEADLO CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249389350 532564648 /nfs/dbraw/zinc/56/46/48/532564648.db2.gz XSHUKQLPYJJLTD-ZBFHGGJFSA-N 1 2 380.286 2.155 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000297074888 532564694 /nfs/dbraw/zinc/56/46/94/532564694.db2.gz LRLXDCMBGWXZMX-IUODEOHRSA-N 1 2 381.274 2.409 20 0 GEADLO Cc1cc(Br)cc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)c1OC(F)F ZINC000375526311 532564866 /nfs/dbraw/zinc/56/48/66/532564866.db2.gz UONPUIKMBITOHF-OAHLLOKOSA-N 1 2 393.228 2.171 20 0 GEADLO Cc1cc(Br)cc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)c1OC(F)F ZINC000375526311 532564870 /nfs/dbraw/zinc/56/48/70/532564870.db2.gz UONPUIKMBITOHF-OAHLLOKOSA-N 1 2 393.228 2.171 20 0 GEADLO CCC[N@@H+](CC(=O)OC)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000472169307 532566121 /nfs/dbraw/zinc/56/61/21/532566121.db2.gz GRFQYHVSHIKZBR-CYBMUJFWSA-N 1 2 378.238 2.213 20 0 GEADLO CCC[N@H+](CC(=O)OC)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000472169307 532566124 /nfs/dbraw/zinc/56/61/24/532566124.db2.gz GRFQYHVSHIKZBR-CYBMUJFWSA-N 1 2 378.238 2.213 20 0 GEADLO CCN(Cc1cccc(Br)c1)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000283921327 532567363 /nfs/dbraw/zinc/56/73/63/532567363.db2.gz MUWCRLFVPYCGIE-CYBMUJFWSA-N 1 2 393.285 2.199 20 0 GEADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)CCC(C)(F)F)CC2)oc1C ZINC000631946535 532568189 /nfs/dbraw/zinc/56/81/89/532568189.db2.gz CTYFLBCSNPZARA-UHFFFAOYSA-N 1 2 379.473 2.468 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)Oc2ccc3c(c2)[nH+]c(C)n3C)s1 ZINC000297128885 532568889 /nfs/dbraw/zinc/56/88/89/532568889.db2.gz QFSHTCIQWAXKPP-UHFFFAOYSA-N 1 2 379.463 2.347 20 0 GEADLO O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)NCCCn1cc[nH+]c1 ZINC000283576529 532546579 /nfs/dbraw/zinc/54/65/79/532546579.db2.gz NGUARCDGJRAFOA-UHFFFAOYSA-N 1 2 383.279 2.445 20 0 GEADLO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(NS(C)(=O)=O)c1 ZINC000432868854 532547620 /nfs/dbraw/zinc/54/76/20/532547620.db2.gz SWAVGFQUENQPIT-JTQLQIEISA-N 1 2 387.303 2.405 20 0 GEADLO Cc1c(Br)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1Br ZINC000375306662 532549272 /nfs/dbraw/zinc/54/92/72/532549272.db2.gz DBAHBWOPRPIGBV-MNOVXSKESA-N 1 2 379.092 2.448 20 0 GEADLO Cc1c(Br)cc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1Br ZINC000375306662 532549274 /nfs/dbraw/zinc/54/92/74/532549274.db2.gz DBAHBWOPRPIGBV-MNOVXSKESA-N 1 2 379.092 2.448 20 0 GEADLO Brc1ccc2ncc(C[NH2+]Cc3nnc(C4CCOCC4)[nH]3)n2c1 ZINC000631214402 532549499 /nfs/dbraw/zinc/54/94/99/532549499.db2.gz WLQDEBOMMKQAGD-UHFFFAOYSA-N 1 2 391.273 2.399 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000376117229 532595512 /nfs/dbraw/zinc/59/55/12/532595512.db2.gz RWPZPBVWBWKGTR-GFCCVEGCSA-N 1 2 381.885 2.497 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)C(=O)NCCCn1cc[nH+]c1 ZINC000297369591 532586153 /nfs/dbraw/zinc/58/61/53/532586153.db2.gz LLZBFLZUJHSMPV-HNNXBMFYSA-N 1 2 381.274 2.411 20 0 GEADLO C[C@H]([NH2+]Cc1ncc(Br)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000434489764 532595592 /nfs/dbraw/zinc/59/55/92/532595592.db2.gz UZZUQTMHPHKEAC-QMMMGPOBSA-N 1 2 376.301 2.404 20 0 GEADLO C[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)c1ccc(Br)cn1 ZINC000284346043 532589053 /nfs/dbraw/zinc/58/90/53/532589053.db2.gz XYCSFNDCCMODIZ-TUKIKUTGSA-N 1 2 383.290 2.020 20 0 GEADLO C[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)c1ccc(Br)cn1 ZINC000284346043 532589056 /nfs/dbraw/zinc/58/90/56/532589056.db2.gz XYCSFNDCCMODIZ-TUKIKUTGSA-N 1 2 383.290 2.020 20 0 GEADLO CCN1CCN(C(=O)c2cc(Br)c(=O)[nH]c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000376008383 532589816 /nfs/dbraw/zinc/58/98/16/532589816.db2.gz LBKBQIFSVYPGRE-CYBMUJFWSA-N 1 2 394.273 2.100 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)c3cnn4ncccc34)[nH+]c12 ZINC000434249336 532590099 /nfs/dbraw/zinc/59/00/99/532590099.db2.gz MWSXHPBGIXRJBL-UHFFFAOYSA-N 1 2 385.225 2.378 20 0 GEADLO CN1C[C@H]2C[N@H+](CC3=Cc4cc(Br)ccc4OC3)CCN2C1=O ZINC000376056849 532594584 /nfs/dbraw/zinc/59/45/84/532594584.db2.gz WZISEQJKEXMGMV-HNNXBMFYSA-N 1 2 378.270 2.277 20 0 GEADLO CN1C[C@H]2C[N@@H+](CC3=Cc4cc(Br)ccc4OC3)CCN2C1=O ZINC000376056849 532594590 /nfs/dbraw/zinc/59/45/90/532594590.db2.gz WZISEQJKEXMGMV-HNNXBMFYSA-N 1 2 378.270 2.277 20 0 GEADLO CN1c2ccc(Br)cc2N(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000473522529 532594558 /nfs/dbraw/zinc/59/45/58/532594558.db2.gz GUVBLXLDQGBPJT-OAHLLOKOSA-N 1 2 382.302 2.341 20 0 GEADLO CN1c2ccc(Br)cc2N(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000473522529 532594561 /nfs/dbraw/zinc/59/45/61/532594561.db2.gz GUVBLXLDQGBPJT-OAHLLOKOSA-N 1 2 382.302 2.341 20 0 GEADLO O=S1(=O)CC[C@@H](C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000434488518 532595095 /nfs/dbraw/zinc/59/50/95/532595095.db2.gz JGADDNZXLZYVPO-HNNXBMFYSA-N 1 2 387.343 2.001 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000528551859 532571467 /nfs/dbraw/zinc/57/14/67/532571467.db2.gz XHSVMAZCDHEIJG-CQSZACIVSA-N 1 2 394.324 2.036 20 0 GEADLO OCC1(CO)CC[N@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC000595806293 532574531 /nfs/dbraw/zinc/57/45/31/532574531.db2.gz KMDPZCAQHHQPQL-UHFFFAOYSA-N 1 2 381.641 2.121 20 0 GEADLO OCC1(CO)CC[N@@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC000595806293 532574536 /nfs/dbraw/zinc/57/45/36/532574536.db2.gz KMDPZCAQHHQPQL-UHFFFAOYSA-N 1 2 381.641 2.121 20 0 GEADLO CO[C@@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Br ZINC000654890493 532574732 /nfs/dbraw/zinc/57/47/32/532574732.db2.gz ZPPAICHAIGTBHH-XJKSGUPXSA-N 1 2 383.286 2.070 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000595816793 532575040 /nfs/dbraw/zinc/57/50/40/532575040.db2.gz LASMJEMIHLXGBR-SUMWQHHRSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000595816793 532575047 /nfs/dbraw/zinc/57/50/47/532575047.db2.gz LASMJEMIHLXGBR-SUMWQHHRSA-N 1 2 392.279 2.387 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000375687684 532576617 /nfs/dbraw/zinc/57/66/17/532576617.db2.gz GTYAGZVNONMZBZ-HIFRSBDPSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000375687684 532576623 /nfs/dbraw/zinc/57/66/23/532576623.db2.gz GTYAGZVNONMZBZ-HIFRSBDPSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000375687681 532576777 /nfs/dbraw/zinc/57/67/77/532576777.db2.gz GTYAGZVNONMZBZ-DZGCQCFKSA-N 1 2 387.933 2.331 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000375687681 532576783 /nfs/dbraw/zinc/57/67/83/532576783.db2.gz GTYAGZVNONMZBZ-DZGCQCFKSA-N 1 2 387.933 2.331 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(CC[N@@H+]1CCO[C@@H](C)C1)C2 ZINC000595904933 532576939 /nfs/dbraw/zinc/57/69/39/532576939.db2.gz GLHHVMHNNQJLGJ-JTQLQIEISA-N 1 2 389.315 2.334 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(CC[N@H+]1CCO[C@@H](C)C1)C2 ZINC000595904933 532576942 /nfs/dbraw/zinc/57/69/42/532576942.db2.gz GLHHVMHNNQJLGJ-JTQLQIEISA-N 1 2 389.315 2.334 20 0 GEADLO Nc1[nH+]cnc(NC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)c1Cl ZINC000433767527 532577540 /nfs/dbraw/zinc/57/75/40/532577540.db2.gz WTWKGGCRKDBITR-JTQLQIEISA-N 1 2 376.766 2.874 20 0 GEADLO Nc1nc[nH+]c(NC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)c1Cl ZINC000433767527 532577546 /nfs/dbraw/zinc/57/75/46/532577546.db2.gz WTWKGGCRKDBITR-JTQLQIEISA-N 1 2 376.766 2.874 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000632100165 532577575 /nfs/dbraw/zinc/57/75/75/532577575.db2.gz WFGLQKSHIFVXTM-FZMZJTMJSA-N 1 2 378.479 2.470 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1cc(Cl)ccc1Br ZINC000433767575 532578235 /nfs/dbraw/zinc/57/82/35/532578235.db2.gz UNEOMKZKTBPVAL-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1cc(Cl)ccc1Br ZINC000433767575 532578239 /nfs/dbraw/zinc/57/82/39/532578239.db2.gz UNEOMKZKTBPVAL-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO CC(=O)NCC(=O)N1CCC[N@H+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000528729155 532578652 /nfs/dbraw/zinc/57/86/52/532578652.db2.gz MSEWTLILGDHUSK-UHFFFAOYSA-N 1 2 388.295 2.043 20 0 GEADLO CC(=O)NCC(=O)N1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000528729155 532578655 /nfs/dbraw/zinc/57/86/55/532578655.db2.gz MSEWTLILGDHUSK-UHFFFAOYSA-N 1 2 388.295 2.043 20 0 GEADLO C[C@@H](NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000284162267 532579559 /nfs/dbraw/zinc/57/95/59/532579559.db2.gz ZOKIDWDRIQUNES-NWDGAFQWSA-N 1 2 379.258 2.028 20 0 GEADLO COCC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000434522256 532595426 /nfs/dbraw/zinc/59/54/26/532595426.db2.gz GJKCQTXPXVHMSA-CYBMUJFWSA-N 1 2 391.331 2.180 20 0 GEADLO O=S(=O)(CCC(F)(F)F)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000284174695 532580185 /nfs/dbraw/zinc/58/01/85/532580185.db2.gz GIIIQQDXVORDAS-CQSZACIVSA-N 1 2 382.473 2.476 20 0 GEADLO O=S(=O)(CCC(F)(F)F)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000284174695 532580189 /nfs/dbraw/zinc/58/01/89/532580189.db2.gz GIIIQQDXVORDAS-CQSZACIVSA-N 1 2 382.473 2.476 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)N(Cc1ccco1)CC(F)(F)F ZINC000528779559 532581215 /nfs/dbraw/zinc/58/12/15/532581215.db2.gz AVBGTFGTDGBYNU-PJGQNWHFSA-N 1 2 378.416 2.156 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)N(Cc1ccco1)CC(F)(F)F ZINC000528779559 532581219 /nfs/dbraw/zinc/58/12/19/532581219.db2.gz AVBGTFGTDGBYNU-PJGQNWHFSA-N 1 2 378.416 2.156 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)N(Cc1ccco1)CC(F)(F)F ZINC000528779561 532581501 /nfs/dbraw/zinc/58/15/01/532581501.db2.gz AVBGTFGTDGBYNU-JXQWACKNSA-N 1 2 378.416 2.156 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)N(Cc1ccco1)CC(F)(F)F ZINC000528779561 532581506 /nfs/dbraw/zinc/58/15/06/532581506.db2.gz AVBGTFGTDGBYNU-JXQWACKNSA-N 1 2 378.416 2.156 20 0 GEADLO O=C(NC[C@H](O)[C@H]1CCCO1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000529774578 532613916 /nfs/dbraw/zinc/61/39/16/532613916.db2.gz XWGYODQOSOLCOB-BBWFWOEESA-N 1 2 397.313 2.242 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc(F)c1Br ZINC000297978190 532615772 /nfs/dbraw/zinc/61/57/72/532615772.db2.gz VYJCHLXBFIQWEV-SNVBAGLBSA-N 1 2 383.221 2.237 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000632501944 532616089 /nfs/dbraw/zinc/61/60/89/532616089.db2.gz QRKVRWJWVZZCOA-HZPDHXFCSA-N 1 2 388.917 2.126 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc(F)c1Br ZINC000297978189 532616299 /nfs/dbraw/zinc/61/62/99/532616299.db2.gz VYJCHLXBFIQWEV-JTQLQIEISA-N 1 2 383.221 2.237 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)C[C@@H]2CCCC(F)(F)C2)C[C@H]1[NH+]1CCOCC1 ZINC000632502605 532618004 /nfs/dbraw/zinc/61/80/04/532618004.db2.gz XISCDHFWLYTUCV-RBSFLKMASA-N 1 2 380.501 2.231 20 0 GEADLO COc1ccc(Br)cc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284783407 532620136 /nfs/dbraw/zinc/62/01/36/532620136.db2.gz KRGLNJWABCABCO-UKRRQHHQSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(Br)cc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284783407 532620140 /nfs/dbraw/zinc/62/01/40/532620140.db2.gz KRGLNJWABCABCO-UKRRQHHQSA-N 1 2 384.274 2.395 20 0 GEADLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CCS(=O)(=O)C1 ZINC000434533500 532597214 /nfs/dbraw/zinc/59/72/14/532597214.db2.gz BFKNOXHPXHYCPQ-LBPRGKRZSA-N 1 2 378.416 2.401 20 0 GEADLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CCS(=O)(=O)C1 ZINC000434533500 532597218 /nfs/dbraw/zinc/59/72/18/532597218.db2.gz BFKNOXHPXHYCPQ-LBPRGKRZSA-N 1 2 378.416 2.401 20 0 GEADLO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000262698014 532597482 /nfs/dbraw/zinc/59/74/82/532597482.db2.gz AENQEANLTBWOBU-IUODEOHRSA-N 1 2 379.507 2.277 20 0 GEADLO CS(=O)(=O)CC[N@H+](Cc1cccc(I)c1)C1CC1 ZINC000284523122 532597904 /nfs/dbraw/zinc/59/79/04/532597904.db2.gz ZGVWWRUGEYKAIB-UHFFFAOYSA-N 1 2 379.263 2.300 20 0 GEADLO CS(=O)(=O)CC[N@@H+](Cc1cccc(I)c1)C1CC1 ZINC000284523122 532597910 /nfs/dbraw/zinc/59/79/10/532597910.db2.gz ZGVWWRUGEYKAIB-UHFFFAOYSA-N 1 2 379.263 2.300 20 0 GEADLO COC(=O)CCCCCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000376154304 532598226 /nfs/dbraw/zinc/59/82/26/532598226.db2.gz FNKNBAQVAHYBKO-MRXNPFEDSA-N 1 2 388.917 2.350 20 0 GEADLO CSCCCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284534217 532598955 /nfs/dbraw/zinc/59/89/55/532598955.db2.gz BWTGTOBCJNKTHE-CQSZACIVSA-N 1 2 380.901 2.148 20 0 GEADLO O[C@@]1(Cn2ccnn2)CCC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000284539561 532599951 /nfs/dbraw/zinc/59/99/51/532599951.db2.gz KNNZWHJDQLBWTJ-INIZCTEOSA-N 1 2 381.267 2.260 20 0 GEADLO O[C@@]1(Cn2ccnn2)CCC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000284539561 532599956 /nfs/dbraw/zinc/59/99/56/532599956.db2.gz KNNZWHJDQLBWTJ-INIZCTEOSA-N 1 2 381.267 2.260 20 0 GEADLO CSCCCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284534214 532600181 /nfs/dbraw/zinc/60/01/81/532600181.db2.gz BWTGTOBCJNKTHE-AWEZNQCLSA-N 1 2 380.901 2.148 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1nc2ccc(Br)cc2n1C ZINC000434702488 532600853 /nfs/dbraw/zinc/60/08/53/532600853.db2.gz LGRBETMMGLGQHV-ZDUSSCGKSA-N 1 2 381.318 2.488 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000434693334 532600905 /nfs/dbraw/zinc/60/09/05/532600905.db2.gz DVYKUUYLUGMSJB-OAHLLOKOSA-N 1 2 384.318 2.018 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000434693334 532600909 /nfs/dbraw/zinc/60/09/09/532600909.db2.gz DVYKUUYLUGMSJB-OAHLLOKOSA-N 1 2 384.318 2.018 20 0 GEADLO C[N@H+](CCN1CCOC(C)(C)C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000434693334 532600915 /nfs/dbraw/zinc/60/09/15/532600915.db2.gz DVYKUUYLUGMSJB-OAHLLOKOSA-N 1 2 384.318 2.018 20 0 GEADLO C[N@@H+](CCN1CCOC(C)(C)C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000434693334 532600920 /nfs/dbraw/zinc/60/09/20/532600920.db2.gz DVYKUUYLUGMSJB-OAHLLOKOSA-N 1 2 384.318 2.018 20 0 GEADLO COCC[N@@H+]1CCC[C@H]1CNC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000473827467 532601183 /nfs/dbraw/zinc/60/11/83/532601183.db2.gz UTZCAQHOYDWQEZ-LBPRGKRZSA-N 1 2 381.527 2.229 20 0 GEADLO COCC[N@H+]1CCC[C@H]1CNC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000473827467 532601187 /nfs/dbraw/zinc/60/11/87/532601187.db2.gz UTZCAQHOYDWQEZ-LBPRGKRZSA-N 1 2 381.527 2.229 20 0 GEADLO C[C@@H](CNC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl)[NH+]1CCOCC1 ZINC000474038713 532605607 /nfs/dbraw/zinc/60/56/07/532605607.db2.gz CVQFOMXHDZFVEO-FZMZJTMJSA-N 1 2 376.284 2.047 20 0 GEADLO Cn1ncc2c1nc(N)[nH+]c2N1CCc2c(F)cc(Br)cc2C1 ZINC000656146319 532605698 /nfs/dbraw/zinc/60/56/98/532605698.db2.gz DWHXFLHZGUIQEU-UHFFFAOYSA-N 1 2 377.221 2.410 20 0 GEADLO O=C(C[NH2+][C@H]1CCS(=O)(=O)c2ccccc21)N1CCc2sccc2C1 ZINC000376311820 532605907 /nfs/dbraw/zinc/60/59/07/532605907.db2.gz PZCNKANJFUGXKT-HNNXBMFYSA-N 1 2 376.503 2.141 20 0 GEADLO NC(=O)c1cccnc1N1CC[NH+](Cc2ccsc2Br)CC1 ZINC000529523499 532606105 /nfs/dbraw/zinc/60/61/05/532606105.db2.gz SGHQAEUPYUEIMZ-UHFFFAOYSA-N 1 2 381.299 2.327 20 0 GEADLO COC(=O)C(C)(C)n1cc([NH+]=C([O-])Nc2cc[nH+]c(C)c2Br)cn1 ZINC000596851771 532606274 /nfs/dbraw/zinc/60/62/74/532606274.db2.gz AWVLRTHMLWZANA-UHFFFAOYSA-N 1 2 396.245 2.323 20 0 GEADLO COCC[N@H+](Cc1cc(OC)cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000529568491 532608757 /nfs/dbraw/zinc/60/87/57/532608757.db2.gz ZOIAYAJHLKGSJH-CQSZACIVSA-N 1 2 381.416 2.350 20 0 GEADLO COCC[N@@H+](Cc1cc(OC)cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000529568491 532608759 /nfs/dbraw/zinc/60/87/59/532608759.db2.gz ZOIAYAJHLKGSJH-CQSZACIVSA-N 1 2 381.416 2.350 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1nnc(C(F)(F)F)s1)C(C)(C)CO ZINC000297865941 532610510 /nfs/dbraw/zinc/61/05/10/532610510.db2.gz PLXTYPIOOOYLLV-ZETCQYMHSA-N 1 2 378.380 2.172 20 0 GEADLO COCC[N@@H+](Cc1cnc2ccc(Br)cn12)C[C@H](O)C(F)(F)F ZINC000656267729 532611582 /nfs/dbraw/zinc/61/15/82/532611582.db2.gz ZCJMDIIYLZRXMI-LBPRGKRZSA-N 1 2 396.207 2.468 20 0 GEADLO COCC[N@H+](Cc1cnc2ccc(Br)cn12)C[C@H](O)C(F)(F)F ZINC000656267729 532611585 /nfs/dbraw/zinc/61/15/85/532611585.db2.gz ZCJMDIIYLZRXMI-LBPRGKRZSA-N 1 2 396.207 2.468 20 0 GEADLO COCCN(Cc1c[nH+]c2ccc(Br)cn12)C[C@H](O)C(F)(F)F ZINC000656267729 532611589 /nfs/dbraw/zinc/61/15/89/532611589.db2.gz ZCJMDIIYLZRXMI-LBPRGKRZSA-N 1 2 396.207 2.468 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000435248798 532611899 /nfs/dbraw/zinc/61/18/99/532611899.db2.gz QBCZJWYWIQLJHR-NSHDSACASA-N 1 2 388.295 2.419 20 0 GEADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000298066196 532622589 /nfs/dbraw/zinc/62/25/89/532622589.db2.gz FGMHVFQKSINJKY-SNVBAGLBSA-N 1 2 388.331 2.055 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000298065931 532622994 /nfs/dbraw/zinc/62/29/94/532622994.db2.gz KBKIOWKRUPIELD-AWEZNQCLSA-N 1 2 395.301 2.316 20 0 GEADLO CC(C)CCO[C@@H]1CCCC[C@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000435625086 532623656 /nfs/dbraw/zinc/62/36/56/532623656.db2.gz HIJLCWKRGPYZFA-QZTJIDSGSA-N 1 2 376.563 2.002 20 0 GEADLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccc(Br)cc1 ZINC000284837011 532624630 /nfs/dbraw/zinc/62/46/30/532624630.db2.gz PHCNTSHTZNZTHN-XHSDSOJGSA-N 1 2 383.286 2.249 20 0 GEADLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccc(Br)cc1 ZINC000284837011 532624638 /nfs/dbraw/zinc/62/46/38/532624638.db2.gz PHCNTSHTZNZTHN-XHSDSOJGSA-N 1 2 383.286 2.249 20 0 GEADLO O=C(Nc1nc2c(s1)CSCC2)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000376735737 532627600 /nfs/dbraw/zinc/62/76/00/532627600.db2.gz QHTKXGVLNISOGR-JTQLQIEISA-N 1 2 377.495 2.000 20 0 GEADLO O=C(NCCc1ccc(I)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000598388078 532646134 /nfs/dbraw/zinc/64/61/34/532646134.db2.gz AXHJBHSGUFWBLG-ZDUSSCGKSA-N 1 2 395.244 2.409 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@](C)(O)COC)CC1 ZINC000530781382 532628996 /nfs/dbraw/zinc/62/89/96/532628996.db2.gz JRNHDCKUEYGSHO-AEFFLSMTSA-N 1 2 399.329 2.442 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c1 ZINC000566900659 532629900 /nfs/dbraw/zinc/62/99/00/532629900.db2.gz RMKDIVQMVVACOZ-CYBMUJFWSA-N 1 2 383.221 2.297 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000530809482 532630746 /nfs/dbraw/zinc/63/07/46/532630746.db2.gz FGLGHBRERNASFM-MRXNPFEDSA-N 1 2 383.279 2.449 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)nc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000263724865 532637668 /nfs/dbraw/zinc/63/76/68/532637668.db2.gz WZHAMWCAKWETRT-UHFFFAOYSA-N 1 2 385.942 2.487 20 0 GEADLO C[C@H]1C[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c2[nH+]ccn21 ZINC000567229570 532646414 /nfs/dbraw/zinc/64/64/14/532646414.db2.gz HOYSXULNTUPVJT-VHSXEESVSA-N 1 2 388.902 2.041 20 0 GEADLO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000475184522 532639435 /nfs/dbraw/zinc/63/94/35/532639435.db2.gz DZDAAWNOZQVASH-SNVBAGLBSA-N 1 2 395.232 2.163 20 0 GEADLO Clc1ccc(-n2c(C[NH+]3CCCC3)nnc2SCc2nn[nH]n2)cc1 ZINC000298291532 532639786 /nfs/dbraw/zinc/63/97/86/532639786.db2.gz FTARTGZIQDBFMP-UHFFFAOYSA-N 1 2 376.877 2.322 20 0 GEADLO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000656885535 532639990 /nfs/dbraw/zinc/63/99/90/532639990.db2.gz MQOKYFWONGXZHJ-KBUPBQIOSA-N 1 2 386.480 2.478 20 0 GEADLO O=C(NC[C@@H](O)C(F)F)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000475209050 532640869 /nfs/dbraw/zinc/64/08/69/532640869.db2.gz COGLCQWLWMAHDB-OLZOCXBDSA-N 1 2 377.229 2.328 20 0 GEADLO O=C(NC[C@@H](O)C(F)F)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000475209049 532641175 /nfs/dbraw/zinc/64/11/75/532641175.db2.gz COGLCQWLWMAHDB-CHWSQXEVSA-N 1 2 377.229 2.328 20 0 GEADLO O=C(C[N@H+]1CCCN(C(=O)c2ccccc2Br)CC1)N1CCCC1 ZINC000298307695 532642067 /nfs/dbraw/zinc/64/20/67/532642067.db2.gz UFDOTOWXQHUDOV-UHFFFAOYSA-N 1 2 394.313 2.219 20 0 GEADLO O=C(C[N@@H+]1CCCN(C(=O)c2ccccc2Br)CC1)N1CCCC1 ZINC000298307695 532642078 /nfs/dbraw/zinc/64/20/78/532642078.db2.gz UFDOTOWXQHUDOV-UHFFFAOYSA-N 1 2 394.313 2.219 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000298355795 532644609 /nfs/dbraw/zinc/64/46/09/532644609.db2.gz SZPGQWPPQRIMSA-IUODEOHRSA-N 1 2 381.274 2.409 20 0 GEADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)Cc1ccc(Br)s1 ZINC000298066196 532622584 /nfs/dbraw/zinc/62/25/84/532622584.db2.gz FGMHVFQKSINJKY-SNVBAGLBSA-N 1 2 388.331 2.055 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCc2nnc(N)cc2C1 ZINC000377557701 532660612 /nfs/dbraw/zinc/66/06/12/532660612.db2.gz ARTANLCJPQLKAX-JTQLQIEISA-N 1 2 376.258 2.207 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCc2nnc(N)cc2C1 ZINC000377557701 532660619 /nfs/dbraw/zinc/66/06/19/532660619.db2.gz ARTANLCJPQLKAX-JTQLQIEISA-N 1 2 376.258 2.207 20 0 GEADLO CCn1nc2c(cc1=O)C[N@@H+](Cc1nc3ccccn3c1Br)CC2 ZINC000377612961 532663719 /nfs/dbraw/zinc/66/37/19/532663719.db2.gz CHRDRHTXPAQFNH-UHFFFAOYSA-N 1 2 388.269 2.232 20 0 GEADLO CCn1nc2c(cc1=O)C[N@H+](Cc1nc3ccccn3c1Br)CC2 ZINC000377612961 532663722 /nfs/dbraw/zinc/66/37/22/532663722.db2.gz CHRDRHTXPAQFNH-UHFFFAOYSA-N 1 2 388.269 2.232 20 0 GEADLO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000298628985 532664547 /nfs/dbraw/zinc/66/45/47/532664547.db2.gz JSCHGPKCYLVYFD-GFCCVEGCSA-N 1 2 395.257 2.477 20 0 GEADLO Cc1ccc([C@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000437834695 532664801 /nfs/dbraw/zinc/66/48/01/532664801.db2.gz BKWSZADCZCDDNY-QGPMSJSTSA-N 1 2 384.567 2.023 20 0 GEADLO Cc1ccc([C@H](NC(=O)C[N@@H+](C)[C@@H]2CCSC2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000437834695 532664805 /nfs/dbraw/zinc/66/48/05/532664805.db2.gz BKWSZADCZCDDNY-QGPMSJSTSA-N 1 2 384.567 2.023 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000599564826 532665597 /nfs/dbraw/zinc/66/55/97/532665597.db2.gz NBYNMJGRCDGKBZ-WMLDXEAASA-N 1 2 387.263 2.363 20 0 GEADLO CN(Cc1[nH+]ccn1C)C(=O)c1n[nH]c2ccc(I)cc21 ZINC000533706580 532665686 /nfs/dbraw/zinc/66/56/86/532665686.db2.gz OVADLXZVJIVKMY-UHFFFAOYSA-N 1 2 395.204 2.173 20 0 GEADLO NC(=O)[C@@H]1C[N@@H+]([C@@H](Cc2ccccn2)c2ccc(Br)cc2)CCO1 ZINC000377629752 532665542 /nfs/dbraw/zinc/66/55/42/532665542.db2.gz SPCVYKCUCHSWSZ-IRXDYDNUSA-N 1 2 390.281 2.314 20 0 GEADLO NC(=O)[C@@H]1C[N@H+]([C@@H](Cc2ccccn2)c2ccc(Br)cc2)CCO1 ZINC000377629752 532665548 /nfs/dbraw/zinc/66/55/48/532665548.db2.gz SPCVYKCUCHSWSZ-IRXDYDNUSA-N 1 2 390.281 2.314 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000599564826 532665619 /nfs/dbraw/zinc/66/56/19/532665619.db2.gz NBYNMJGRCDGKBZ-WMLDXEAASA-N 1 2 387.263 2.363 20 0 GEADLO COc1ccc([C@H](C)[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c(Br)c1 ZINC000377631187 532665631 /nfs/dbraw/zinc/66/56/31/532665631.db2.gz WAPCQCGEAYPAOH-JQWIXIFHSA-N 1 2 377.304 2.272 20 0 GEADLO COc1ccc([C@H](C)[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c(Br)c1 ZINC000377631187 532665638 /nfs/dbraw/zinc/66/56/38/532665638.db2.gz WAPCQCGEAYPAOH-JQWIXIFHSA-N 1 2 377.304 2.272 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000599564824 532665909 /nfs/dbraw/zinc/66/59/09/532665909.db2.gz NBYNMJGRCDGKBZ-PBHICJAKSA-N 1 2 387.263 2.363 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000599564824 532665914 /nfs/dbraw/zinc/66/59/14/532665914.db2.gz NBYNMJGRCDGKBZ-PBHICJAKSA-N 1 2 387.263 2.363 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000599564825 532666015 /nfs/dbraw/zinc/66/60/15/532666015.db2.gz NBYNMJGRCDGKBZ-RHSMWYFYSA-N 1 2 387.263 2.363 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000599564825 532666020 /nfs/dbraw/zinc/66/60/20/532666020.db2.gz NBYNMJGRCDGKBZ-RHSMWYFYSA-N 1 2 387.263 2.363 20 0 GEADLO COc1nc(N2CC[NH+](Cc3cc(C4CC4)no3)CC2)ncc1Br ZINC000659994488 532668001 /nfs/dbraw/zinc/66/80/01/532668001.db2.gz WMXNXCBQSSCCHZ-UHFFFAOYSA-N 1 2 394.273 2.435 20 0 GEADLO O=C(Cc1ccc(Br)cc1O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000477371734 532650406 /nfs/dbraw/zinc/65/04/06/532650406.db2.gz IWHAUEFKJALQGD-OAHLLOKOSA-N 1 2 383.286 2.020 20 0 GEADLO Cc1cccc(OC[C@@H](O)CNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000263942908 532651397 /nfs/dbraw/zinc/65/13/97/532651397.db2.gz GAHQJZRKTZJRCI-NSHDSACASA-N 1 2 392.257 2.286 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)sc1Br ZINC000437228105 532653243 /nfs/dbraw/zinc/65/32/43/532653243.db2.gz VTCUTMLIXOGHHA-UHFFFAOYSA-N 1 2 388.268 2.361 20 0 GEADLO COC(=O)c1cncc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)c1 ZINC000567446020 532653777 /nfs/dbraw/zinc/65/37/77/532653777.db2.gz QSCANTYIUFUEOR-UHFFFAOYSA-N 1 2 375.328 2.021 20 0 GEADLO Cn1cnc(CCNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)n1 ZINC000532790785 532656314 /nfs/dbraw/zinc/65/63/14/532656314.db2.gz ZBULPMJBNKWXSR-INIZCTEOSA-N 1 2 392.301 2.073 20 0 GEADLO C[C@H](O)CNc1cc(N2CCOc3ccc(Br)cc3C2)nc[nH+]1 ZINC000298525448 532656842 /nfs/dbraw/zinc/65/68/42/532656842.db2.gz CDDVSXHECDRGLE-NSHDSACASA-N 1 2 379.258 2.431 20 0 GEADLO C[C@H](O)CNc1cc(N2CCOc3ccc(Br)cc3C2)[nH+]cn1 ZINC000298525448 532656849 /nfs/dbraw/zinc/65/68/49/532656849.db2.gz CDDVSXHECDRGLE-NSHDSACASA-N 1 2 379.258 2.431 20 0 GEADLO CSc1ccc(Cl)cc1NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000264020662 532656918 /nfs/dbraw/zinc/65/69/18/532656918.db2.gz KPOQCGUMPNUWGP-UHFFFAOYSA-N 1 2 385.917 2.227 20 0 GEADLO CSc1ccc(Cl)cc1NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000264020662 532656921 /nfs/dbraw/zinc/65/69/21/532656921.db2.gz KPOQCGUMPNUWGP-UHFFFAOYSA-N 1 2 385.917 2.227 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000298545040 532657682 /nfs/dbraw/zinc/65/76/82/532657682.db2.gz CFZBOOLNNJBNHC-WFASDCNBSA-N 1 2 376.316 2.239 20 0 GEADLO CS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000298545040 532657686 /nfs/dbraw/zinc/65/76/86/532657686.db2.gz CFZBOOLNNJBNHC-WFASDCNBSA-N 1 2 376.316 2.239 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633024144 532658326 /nfs/dbraw/zinc/65/83/26/532658326.db2.gz KJYNXJXUMTYBTB-OCCSQVGLSA-N 1 2 393.285 2.032 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)c2nccn2c1 ZINC000633024146 532658652 /nfs/dbraw/zinc/65/86/52/532658652.db2.gz KJYNXJXUMTYBTB-TZMCWYRMSA-N 1 2 393.285 2.032 20 0 GEADLO NC(=O)NC(=O)OCCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000265007690 532685392 /nfs/dbraw/zinc/68/53/92/532685392.db2.gz GORJXZUMVXLQMK-CYBMUJFWSA-N 1 2 386.246 2.017 20 0 GEADLO NC(=O)NC(=O)OCCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000265007690 532685400 /nfs/dbraw/zinc/68/54/00/532685400.db2.gz GORJXZUMVXLQMK-CYBMUJFWSA-N 1 2 386.246 2.017 20 0 GEADLO CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000285503321 532685601 /nfs/dbraw/zinc/68/56/01/532685601.db2.gz FKKBHCUFUULFFS-CJNGLKHVSA-N 1 2 385.555 2.091 20 0 GEADLO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000285503321 532685605 /nfs/dbraw/zinc/68/56/05/532685605.db2.gz FKKBHCUFUULFFS-CJNGLKHVSA-N 1 2 385.555 2.091 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(I)ccc2O)C1 ZINC000378262427 532686569 /nfs/dbraw/zinc/68/65/69/532686569.db2.gz MUBYPBVDODFIQX-JTQLQIEISA-N 1 2 397.216 2.360 20 0 GEADLO CSc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000264296431 532669600 /nfs/dbraw/zinc/66/96/00/532669600.db2.gz CICDWPWBTSUGII-NEPJUHHUSA-N 1 2 385.917 2.226 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000285334050 532671773 /nfs/dbraw/zinc/67/17/73/532671773.db2.gz OCVFUMWDVBXLNY-TZMCWYRMSA-N 1 2 376.881 2.104 20 0 GEADLO Cc1ccc(F)c(C[NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1 ZINC000438483698 532672062 /nfs/dbraw/zinc/67/20/62/532672062.db2.gz NXKJBURASBOWSK-UHFFFAOYSA-N 1 2 383.411 2.085 20 0 GEADLO O=S(=O)(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccc(F)c(Cl)c1 ZINC000660034684 532672958 /nfs/dbraw/zinc/67/29/58/532672958.db2.gz LCQVEECVHVLJQR-HZPDHXFCSA-N 1 2 388.892 2.401 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)C[NH+]1CCN(C)CC1 ZINC000298783328 532674341 /nfs/dbraw/zinc/67/43/41/532674341.db2.gz AHSPDOZDTDIQQY-GFCCVEGCSA-N 1 2 380.341 2.155 20 0 GEADLO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl)C(=O)OC ZINC000483237405 532674795 /nfs/dbraw/zinc/67/47/95/532674795.db2.gz QIRNUGZWEOLOPK-WNMQOVRZSA-N 1 2 391.295 2.320 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)ccc1I ZINC000600419239 532674916 /nfs/dbraw/zinc/67/49/16/532674916.db2.gz GEELNSAVSRETQI-JTQLQIEISA-N 1 2 394.640 2.005 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)ccc1I ZINC000600419239 532674921 /nfs/dbraw/zinc/67/49/21/532674921.db2.gz GEELNSAVSRETQI-JTQLQIEISA-N 1 2 394.640 2.005 20 0 GEADLO CCC[N@@H+](Cc1ccccc1Br)Cc1cc(=O)n(C)c(=O)n1C ZINC000298802962 532675183 /nfs/dbraw/zinc/67/51/83/532675183.db2.gz MAZRKYUXRHHZBN-UHFFFAOYSA-N 1 2 380.286 2.259 20 0 GEADLO CCC[N@H+](Cc1ccccc1Br)Cc1cc(=O)n(C)c(=O)n1C ZINC000298802962 532675189 /nfs/dbraw/zinc/67/51/89/532675189.db2.gz MAZRKYUXRHHZBN-UHFFFAOYSA-N 1 2 380.286 2.259 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000285399504 532677072 /nfs/dbraw/zinc/67/70/72/532677072.db2.gz IFKQVPPRXNEZGI-UHFFFAOYSA-N 1 2 394.324 2.193 20 0 GEADLO CC1(C)C(=O)N[C@@H]1C1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000568468186 532678385 /nfs/dbraw/zinc/67/83/85/532678385.db2.gz BZXCFICPYOAFBZ-LSDHHAIUSA-N 1 2 394.313 2.212 20 0 GEADLO CCN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H](C)CS(=O)(=O)CC ZINC000265057738 532686841 /nfs/dbraw/zinc/68/68/41/532686841.db2.gz LDHZEMJBSDBQBM-DZGCQCFKSA-N 1 2 375.560 2.206 20 0 GEADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000285463734 532683204 /nfs/dbraw/zinc/68/32/04/532683204.db2.gz NDZQZZNTDQQJNK-NSHDSACASA-N 1 2 391.896 2.067 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285564980 532691963 /nfs/dbraw/zinc/69/19/63/532691963.db2.gz VTWSURFHCSGIGW-ZBFHGGJFSA-N 1 2 398.301 2.072 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285564980 532691968 /nfs/dbraw/zinc/69/19/68/532691968.db2.gz VTWSURFHCSGIGW-ZBFHGGJFSA-N 1 2 398.301 2.072 20 0 GEADLO COC(=O)C1([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCCC1 ZINC000439455859 532694209 /nfs/dbraw/zinc/69/42/09/532694209.db2.gz WGQNZZLCWWPPGH-ZDUSSCGKSA-N 1 2 390.249 2.403 20 0 GEADLO CCOC(=O)C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000439457582 532694729 /nfs/dbraw/zinc/69/47/29/532694729.db2.gz BVJLWMMTCQFMKQ-AWEZNQCLSA-N 1 2 390.249 2.355 20 0 GEADLO CCOC(=O)C[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1CC1 ZINC000439457582 532694733 /nfs/dbraw/zinc/69/47/33/532694733.db2.gz BVJLWMMTCQFMKQ-AWEZNQCLSA-N 1 2 390.249 2.355 20 0 GEADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc(Br)o1 ZINC000265381331 532695168 /nfs/dbraw/zinc/69/51/68/532695168.db2.gz CSQFUECDFJOHNF-ZDUSSCGKSA-N 1 2 393.285 2.378 20 0 GEADLO C[C@H](Cc1ccsc1)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000536602798 532695497 /nfs/dbraw/zinc/69/54/97/532695497.db2.gz UHDYEDZPSQIMHW-CQSZACIVSA-N 1 2 380.535 2.444 20 0 GEADLO O=C(NCc1cc(F)cc(Br)c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603592722 532696683 /nfs/dbraw/zinc/69/66/83/532696683.db2.gz LPOLJYZERGYDFW-UHFFFAOYSA-N 1 2 396.264 2.339 20 0 GEADLO CN(C)C(=O)Sc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000285669602 532697891 /nfs/dbraw/zinc/69/78/91/532697891.db2.gz QGCXZBNIDOQTQQ-INIZCTEOSA-N 1 2 385.555 2.316 20 0 GEADLO CN(C)C(=O)Sc1cccc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000285669602 532697896 /nfs/dbraw/zinc/69/78/96/532697896.db2.gz QGCXZBNIDOQTQQ-INIZCTEOSA-N 1 2 385.555 2.316 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000285669676 532698024 /nfs/dbraw/zinc/69/80/24/532698024.db2.gz QHGSYXLZYAPCPI-WFASDCNBSA-N 1 2 381.325 2.383 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000285669676 532698029 /nfs/dbraw/zinc/69/80/29/532698029.db2.gz QHGSYXLZYAPCPI-WFASDCNBSA-N 1 2 381.325 2.383 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1c(F)cccc1Br)C2 ZINC000569644226 532701022 /nfs/dbraw/zinc/70/10/22/532701022.db2.gz WWFAFVRXQSIIJI-NSHDSACASA-N 1 2 396.260 2.373 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000666692981 532701819 /nfs/dbraw/zinc/70/18/19/532701819.db2.gz HHQTWGWIVXXWQK-UHFFFAOYSA-N 1 2 380.246 2.282 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000666692981 532701821 /nfs/dbraw/zinc/70/18/21/532701821.db2.gz HHQTWGWIVXXWQK-UHFFFAOYSA-N 1 2 380.246 2.282 20 0 GEADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000537034416 532702261 /nfs/dbraw/zinc/70/22/61/532702261.db2.gz FHGJBJLGHAPZHH-UHFFFAOYSA-N 1 2 388.898 2.495 20 0 GEADLO C[C@@H](c1ccccc1F)[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439288714 532687484 /nfs/dbraw/zinc/68/74/84/532687484.db2.gz YCQRVQDDJIQGPA-NSHDSACASA-N 1 2 383.411 2.337 20 0 GEADLO O=S(=O)(NCC(F)(F)F)NC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000439284711 532687683 /nfs/dbraw/zinc/68/76/83/532687683.db2.gz MOBTVRFAIXTZFS-UHFFFAOYSA-N 1 2 391.868 2.352 20 0 GEADLO CN(C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C1)S(C)(=O)=O ZINC000285535544 532689006 /nfs/dbraw/zinc/68/90/06/532689006.db2.gz HSAMBBANWQTDDY-GFCCVEGCSA-N 1 2 391.896 2.021 20 0 GEADLO CN(C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C1)S(C)(=O)=O ZINC000285535544 532689012 /nfs/dbraw/zinc/68/90/12/532689012.db2.gz HSAMBBANWQTDDY-GFCCVEGCSA-N 1 2 391.896 2.021 20 0 GEADLO CC[N@H+](Cc1ccccc1Br)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000439332863 532690049 /nfs/dbraw/zinc/69/00/49/532690049.db2.gz SRIDLRNZYHZLEZ-ZDUSSCGKSA-N 1 2 396.329 2.397 20 0 GEADLO CC[N@@H+](Cc1ccccc1Br)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000439332863 532690053 /nfs/dbraw/zinc/69/00/53/532690053.db2.gz SRIDLRNZYHZLEZ-ZDUSSCGKSA-N 1 2 396.329 2.397 20 0 GEADLO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@]1([NH+](C)C)CCCSC1 ZINC000378313765 532691168 /nfs/dbraw/zinc/69/11/68/532691168.db2.gz NCLKASHHJXYSAZ-YJBOKZPZSA-N 1 2 384.567 2.183 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCCNc1cccc[nH+]1 ZINC000299239282 532704521 /nfs/dbraw/zinc/70/45/21/532704521.db2.gz UYSWDSDXEHOWMS-JTQLQIEISA-N 1 2 397.298 2.252 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000285777922 532706068 /nfs/dbraw/zinc/70/60/68/532706068.db2.gz YOBDLUCXSXTDGT-CQSZACIVSA-N 1 2 384.889 2.246 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000285777922 532706071 /nfs/dbraw/zinc/70/60/71/532706071.db2.gz YOBDLUCXSXTDGT-CQSZACIVSA-N 1 2 384.889 2.246 20 0 GEADLO CCc1nn(C)c(OC)c1C[NH2+]Cc1ncc(I)s1 ZINC000285778062 532706123 /nfs/dbraw/zinc/70/61/23/532706123.db2.gz DTYXIAQCDNVASP-UHFFFAOYSA-N 1 2 392.266 2.342 20 0 GEADLO COc1ccc(Br)cc1C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000299314629 532708738 /nfs/dbraw/zinc/70/87/38/532708738.db2.gz DSOZNFGDDURBSX-UHFFFAOYSA-N 1 2 391.331 2.314 20 0 GEADLO O=C(NC[C@H](O)C(F)F)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000489583793 532709976 /nfs/dbraw/zinc/70/99/76/532709976.db2.gz JICLRPDVLXRQMF-JSGCOSHPSA-N 1 2 379.810 2.369 20 0 GEADLO O=C(NC[C@H](O)C(F)F)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000489583793 532709979 /nfs/dbraw/zinc/70/99/79/532709979.db2.gz JICLRPDVLXRQMF-JSGCOSHPSA-N 1 2 379.810 2.369 20 0 GEADLO COCC[N@H+](CC(=O)Nc1ccncc1)Cc1ccc(Br)s1 ZINC000494218595 532714443 /nfs/dbraw/zinc/71/44/43/532714443.db2.gz DHCNRHKSKMWDSM-UHFFFAOYSA-N 1 2 384.299 2.415 20 0 GEADLO COCC[N@@H+](CC(=O)Nc1ccncc1)Cc1ccc(Br)s1 ZINC000494218595 532714445 /nfs/dbraw/zinc/71/44/45/532714445.db2.gz DHCNRHKSKMWDSM-UHFFFAOYSA-N 1 2 384.299 2.415 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c(F)cccc2Br)C[C@@H]1C ZINC000538683351 532715411 /nfs/dbraw/zinc/71/54/11/532715411.db2.gz VIJFSKMDDLFPKI-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2c(F)cccc2Br)C[C@@H]1C ZINC000538683351 532715413 /nfs/dbraw/zinc/71/54/13/532715413.db2.gz VIJFSKMDDLFPKI-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO Cn1cnnc1C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000574576447 532715482 /nfs/dbraw/zinc/71/54/82/532715482.db2.gz FUVOEUFXBVRNJK-LLVKDONJSA-N 1 2 379.180 2.420 20 0 GEADLO COc1cccc([C@H]2[C@@H](NS(=O)(=O)c3cscn3)CC[N@@H+]2C2CC2)c1 ZINC000575056905 532716930 /nfs/dbraw/zinc/71/69/30/532716930.db2.gz ZKJOOGNAYVFFNO-RDJZCZTQSA-N 1 2 379.507 2.408 20 0 GEADLO COc1cccc([C@H]2[C@@H](NS(=O)(=O)c3cscn3)CC[N@H+]2C2CC2)c1 ZINC000575056905 532716931 /nfs/dbraw/zinc/71/69/31/532716931.db2.gz ZKJOOGNAYVFFNO-RDJZCZTQSA-N 1 2 379.507 2.408 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)ccc1Br ZINC000299502550 532722020 /nfs/dbraw/zinc/72/20/20/532722020.db2.gz JBKPTWGSXVZSNY-LBPRGKRZSA-N 1 2 394.273 2.280 20 0 GEADLO Cc1cc(S(=O)(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)sc1C ZINC000539109061 532723734 /nfs/dbraw/zinc/72/37/34/532723734.db2.gz QGPZLZPCWLSCPY-OAHLLOKOSA-N 1 2 384.523 2.467 20 0 GEADLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[S@](=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539162848 532724931 /nfs/dbraw/zinc/72/49/31/532724931.db2.gz MLRGCFWAAPIHSP-PJZYKVKTSA-N 1 2 387.908 2.435 20 0 GEADLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[S@](=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539162848 532724937 /nfs/dbraw/zinc/72/49/37/532724937.db2.gz MLRGCFWAAPIHSP-PJZYKVKTSA-N 1 2 387.908 2.435 20 0 GEADLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[S@@](=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539162847 532725065 /nfs/dbraw/zinc/72/50/65/532725065.db2.gz MLRGCFWAAPIHSP-MEXOFJMMSA-N 1 2 387.908 2.435 20 0 GEADLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[S@@](=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539162847 532725067 /nfs/dbraw/zinc/72/50/67/532725067.db2.gz MLRGCFWAAPIHSP-MEXOFJMMSA-N 1 2 387.908 2.435 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000299553349 532725631 /nfs/dbraw/zinc/72/56/31/532725631.db2.gz ZMGMIFWPBAYHLG-GFCCVEGCSA-N 1 2 399.264 2.377 20 0 GEADLO CS(=O)(=O)Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)o1 ZINC000299551472 532725995 /nfs/dbraw/zinc/72/59/95/532725995.db2.gz DBDXBPLNECEFLE-CQSZACIVSA-N 1 2 382.507 2.453 20 0 GEADLO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000499761273 532726936 /nfs/dbraw/zinc/72/69/36/532726936.db2.gz SBRIPOHMTBIEAM-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)n1 ZINC000613176281 532727920 /nfs/dbraw/zinc/72/79/20/532727920.db2.gz MZIPHLPVESIZFV-ZJUUUORDSA-N 1 2 379.404 2.460 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)n1 ZINC000613176281 532727923 /nfs/dbraw/zinc/72/79/23/532727923.db2.gz MZIPHLPVESIZFV-ZJUUUORDSA-N 1 2 379.404 2.460 20 0 GEADLO CCc1n[nH]c(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)c1Br ZINC000500685941 532732787 /nfs/dbraw/zinc/73/27/87/532732787.db2.gz UYNXVWDUNAKRLB-UHFFFAOYSA-N 1 2 378.274 2.400 20 0 GEADLO COc1c(Cl)cc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)cc1Cl ZINC000267491340 532742587 /nfs/dbraw/zinc/74/25/87/532742587.db2.gz WPIZNWMOXYNVJM-UHFFFAOYSA-N 1 2 389.283 2.415 20 0 GEADLO O[C@H](COC1CCOCC1)C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000676410955 532743121 /nfs/dbraw/zinc/74/31/21/532743121.db2.gz KVFUQZAESQDDPP-LBPRGKRZSA-N 1 2 376.316 2.425 20 0 GEADLO O[C@H](COC1CCOCC1)C[N@H+]1CCc2sc(Br)cc2C1 ZINC000676410955 532743127 /nfs/dbraw/zinc/74/31/27/532743127.db2.gz KVFUQZAESQDDPP-LBPRGKRZSA-N 1 2 376.316 2.425 20 0 GEADLO O[C@@H](COC[C@@H]1CCCO1)C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000676410873 532743295 /nfs/dbraw/zinc/74/32/95/532743295.db2.gz HMVFXDIZXBHYOF-OLZOCXBDSA-N 1 2 376.316 2.425 20 0 GEADLO O[C@@H](COC[C@@H]1CCCO1)C[N@H+]1CCc2sc(Br)cc2C1 ZINC000676410873 532743301 /nfs/dbraw/zinc/74/33/01/532743301.db2.gz HMVFXDIZXBHYOF-OLZOCXBDSA-N 1 2 376.316 2.425 20 0 GEADLO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000676410876 532744052 /nfs/dbraw/zinc/74/40/52/532744052.db2.gz HMVFXDIZXBHYOF-STQMWFEESA-N 1 2 376.316 2.425 20 0 GEADLO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCc2sc(Br)cc2C1 ZINC000676410876 532744057 /nfs/dbraw/zinc/74/40/57/532744057.db2.gz HMVFXDIZXBHYOF-STQMWFEESA-N 1 2 376.316 2.425 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000286395494 532744187 /nfs/dbraw/zinc/74/41/87/532744187.db2.gz HDHUDUZUMZZYAO-OAHLLOKOSA-N 1 2 379.400 2.278 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000286395494 532744191 /nfs/dbraw/zinc/74/41/91/532744191.db2.gz HDHUDUZUMZZYAO-OAHLLOKOSA-N 1 2 379.400 2.278 20 0 GEADLO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)N(C)C)ccc1Br ZINC000540827026 532745258 /nfs/dbraw/zinc/74/52/58/532745258.db2.gz QLVULLNJLWLLGC-GFCCVEGCSA-N 1 2 385.306 2.288 20 0 GEADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C)ccc1Br ZINC000540827026 532745262 /nfs/dbraw/zinc/74/52/62/532745262.db2.gz QLVULLNJLWLLGC-GFCCVEGCSA-N 1 2 385.306 2.288 20 0 GEADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2Br)nn1 ZINC000580138933 532745455 /nfs/dbraw/zinc/74/54/55/532745455.db2.gz UWTAPOBSYHTURP-HNNXBMFYSA-N 1 2 378.274 2.082 20 0 GEADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2Br)nn1 ZINC000580138933 532745459 /nfs/dbraw/zinc/74/54/59/532745459.db2.gz UWTAPOBSYHTURP-HNNXBMFYSA-N 1 2 378.274 2.082 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000503290092 532746389 /nfs/dbraw/zinc/74/63/89/532746389.db2.gz LAHXMKUOLICZHZ-JTQLQIEISA-N 1 2 377.229 2.107 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000503290092 532746393 /nfs/dbraw/zinc/74/63/93/532746393.db2.gz LAHXMKUOLICZHZ-JTQLQIEISA-N 1 2 377.229 2.107 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCS(=O)(=O)Cc2ccccc2)C1 ZINC000286258154 532736511 /nfs/dbraw/zinc/73/65/11/532736511.db2.gz AWHZCCKZUMRSHN-HNNXBMFYSA-N 1 2 379.400 2.029 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCS(=O)(=O)Cc2ccccc2)C1 ZINC000286258154 532736516 /nfs/dbraw/zinc/73/65/16/532736516.db2.gz AWHZCCKZUMRSHN-HNNXBMFYSA-N 1 2 379.400 2.029 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)c1ccc(Br)cc1 ZINC000501125890 532736547 /nfs/dbraw/zinc/73/65/47/532736547.db2.gz KVUCPISHKLKKKL-UHFFFAOYSA-N 1 2 397.313 2.449 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(F)c(C)cc2F)CC[N@@H+]1CCOC ZINC000501183718 532738139 /nfs/dbraw/zinc/73/81/39/532738139.db2.gz DXXQSRVZHSFFDE-CQSZACIVSA-N 1 2 376.469 2.395 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(F)c(C)cc2F)CC[N@H+]1CCOC ZINC000501183718 532738151 /nfs/dbraw/zinc/73/81/51/532738151.db2.gz DXXQSRVZHSFFDE-CQSZACIVSA-N 1 2 376.469 2.395 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c1 ZINC000501179409 532738302 /nfs/dbraw/zinc/73/83/02/532738302.db2.gz XVDPTDAGJDXKAA-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c1 ZINC000501179409 532738305 /nfs/dbraw/zinc/73/83/05/532738305.db2.gz XVDPTDAGJDXKAA-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000501207155 532740072 /nfs/dbraw/zinc/74/00/72/532740072.db2.gz UTNDEBUUXIVYNN-INIZCTEOSA-N 1 2 393.285 2.204 20 0 GEADLO C[C@@H]1Cc2cc(-c3csc([C@H]4COCC[NH2+]4)n3)ccc2N1S(C)(=O)=O ZINC000446155752 532755261 /nfs/dbraw/zinc/75/52/61/532755261.db2.gz ICWAFEDKNOOLIF-BXUZGUMPSA-N 1 2 379.507 2.182 20 0 GEADLO C[C@H](CCC[NH3+])NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000581369047 532755367 /nfs/dbraw/zinc/75/53/67/532755367.db2.gz BGHASUCSRAOCGV-CYBMUJFWSA-N 1 2 381.523 2.335 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc2cccc(Br)c2n1 ZINC000301659802 532755805 /nfs/dbraw/zinc/75/58/05/532755805.db2.gz JJANFMWNHMPVGN-CQSZACIVSA-N 1 2 380.286 2.127 20 0 GEADLO C[C@@H](CCC[NH3+])NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000581369048 532755846 /nfs/dbraw/zinc/75/58/46/532755846.db2.gz BGHASUCSRAOCGV-ZDUSSCGKSA-N 1 2 381.523 2.335 20 0 GEADLO CS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000507089650 532756938 /nfs/dbraw/zinc/75/69/38/532756938.db2.gz WNKKRJPISXZQHW-CQSZACIVSA-N 1 2 384.889 2.096 20 0 GEADLO CC(C)([NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000541643442 532757050 /nfs/dbraw/zinc/75/70/50/532757050.db2.gz ZZOPMBUKXLAJRI-UHFFFAOYSA-N 1 2 377.495 2.152 20 0 GEADLO Cc1noc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2I)n1 ZINC000541650489 532757139 /nfs/dbraw/zinc/75/71/39/532757139.db2.gz JMECEVDUUGSTPU-MRVPVSSYSA-N 1 2 386.193 2.272 20 0 GEADLO CCS[C@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000301728856 532758906 /nfs/dbraw/zinc/75/89/06/532758906.db2.gz RJJSAVDWJCTNMW-CVEARBPZSA-N 1 2 384.571 2.104 20 0 GEADLO CC(C)S(=O)(=O)CCC[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000268260750 532759736 /nfs/dbraw/zinc/75/97/36/532759736.db2.gz XJZIFLQRCKKXED-UHFFFAOYSA-N 1 2 391.555 2.004 20 0 GEADLO CC(C)S(=O)(=O)CCC[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000268260750 532759739 /nfs/dbraw/zinc/75/97/39/532759739.db2.gz XJZIFLQRCKKXED-UHFFFAOYSA-N 1 2 391.555 2.004 20 0 GEADLO O=C(C[N@H+]1CCOC[C@H](O)C1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000451225580 532763474 /nfs/dbraw/zinc/76/34/74/532763474.db2.gz ILIPSMWWPANRKJ-SNVBAGLBSA-N 1 2 397.191 2.100 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000541944455 532763410 /nfs/dbraw/zinc/76/34/10/532763410.db2.gz YSVXUHPUVQVJKE-WFASDCNBSA-N 1 2 381.274 2.457 20 0 GEADLO O=C(C[N@@H+]1CCOC[C@H](O)C1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000451225580 532763476 /nfs/dbraw/zinc/76/34/76/532763476.db2.gz ILIPSMWWPANRKJ-SNVBAGLBSA-N 1 2 397.191 2.100 20 0 GEADLO COc1cc(Br)c(S(=O)(=O)NCC[NH+]2CCC2)cc1Cl ZINC000443727504 532749433 /nfs/dbraw/zinc/74/94/33/532749433.db2.gz ASGJZNRLQRUOSD-UHFFFAOYSA-N 1 2 383.695 2.095 20 0 GEADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cncc(Br)c2C)CC1 ZINC000616125274 532749803 /nfs/dbraw/zinc/74/98/03/532749803.db2.gz SIVQHTNZTAAKBH-UHFFFAOYSA-N 1 2 383.334 2.298 20 0 GEADLO O=S(=O)(NCC[NH+]1CCC1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000443727922 532749968 /nfs/dbraw/zinc/74/99/68/532749968.db2.gz BQCXDTVVBIYZBW-UHFFFAOYSA-N 1 2 387.221 2.452 20 0 GEADLO CCC[C@H](CNC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)c1ccc(Cl)cc1Cl ZINC000444707569 532750648 /nfs/dbraw/zinc/75/06/48/532750648.db2.gz YMTGRWGRYNKKPF-RLCCDNCMSA-N 1 2 375.296 2.031 20 0 GEADLO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000444694985 532751223 /nfs/dbraw/zinc/75/12/23/532751223.db2.gz KZNSPFPHWZUVBU-SECBINFHSA-N 1 2 399.822 2.200 20 0 GEADLO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000444694985 532751229 /nfs/dbraw/zinc/75/12/29/532751229.db2.gz KZNSPFPHWZUVBU-SECBINFHSA-N 1 2 399.822 2.200 20 0 GEADLO O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000444690706 532751346 /nfs/dbraw/zinc/75/13/46/532751346.db2.gz APFWOATZTJVKJB-HZPDHXFCSA-N 1 2 378.881 2.467 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CC[C@H](CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000444709323 532751528 /nfs/dbraw/zinc/75/15/28/532751528.db2.gz QEPOVTHWRCKXHK-ZIAGYGMSSA-N 1 2 384.464 2.077 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CC[C@H](CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000444709323 532751531 /nfs/dbraw/zinc/75/15/31/532751531.db2.gz QEPOVTHWRCKXHK-ZIAGYGMSSA-N 1 2 384.464 2.077 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000301553998 532753702 /nfs/dbraw/zinc/75/37/02/532753702.db2.gz GVECWAMGBUNEDO-CQSZACIVSA-N 1 2 387.267 2.173 20 0 GEADLO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]Cc1nnn(C)n1 ZINC000511752047 532774744 /nfs/dbraw/zinc/77/47/44/532774744.db2.gz CITDXFGYXARFNM-MRVPVSSYSA-N 1 2 376.770 2.389 20 0 GEADLO NC(=O)c1cc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)on1 ZINC000542696447 532775882 /nfs/dbraw/zinc/77/58/82/532775882.db2.gz PVUHUXMWJRTAAQ-UHFFFAOYSA-N 1 2 376.214 2.012 20 0 GEADLO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000303095810 532776178 /nfs/dbraw/zinc/77/61/78/532776178.db2.gz FPTRLGVZSUABEQ-SNVBAGLBSA-N 1 2 388.902 2.157 20 0 GEADLO CC1CCN(c2ccc(CNS(=O)(=O)c3cn(C)c(Cl)n3)c[nH+]2)CC1 ZINC000269262122 532778558 /nfs/dbraw/zinc/77/85/58/532778558.db2.gz CECQSANSSHZJMM-UHFFFAOYSA-N 1 2 383.905 2.183 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000287035256 532779957 /nfs/dbraw/zinc/77/99/57/532779957.db2.gz HESDVZSRUQODPQ-BLLLJJGKSA-N 1 2 390.311 2.437 20 0 GEADLO CC[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000542132640 532765231 /nfs/dbraw/zinc/76/52/31/532765231.db2.gz GGFSZSFUOBXALN-ZDUSSCGKSA-N 1 2 376.404 2.334 20 0 GEADLO O=C(NCc1csc(Br)c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000583744274 532766715 /nfs/dbraw/zinc/76/67/15/532766715.db2.gz ZZOVHJYYTYULNU-UHFFFAOYSA-N 1 2 379.239 2.413 20 0 GEADLO COc1cc(Cl)c(F)c(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000411582782 532768728 /nfs/dbraw/zinc/76/87/28/532768728.db2.gz BDJMGSSCJSBGLT-KRWDZBQOSA-N 1 2 388.892 2.425 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCCc2cn(C)c[nH+]2)cc(C)c1Br ZINC000411596582 532769710 /nfs/dbraw/zinc/76/97/10/532769710.db2.gz MIAXXDJSZAEGFF-UHFFFAOYSA-N 1 2 379.258 2.097 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000509434562 532769697 /nfs/dbraw/zinc/76/96/97/532769697.db2.gz FEEDXWGUPMDFSY-QWHCGFSZSA-N 1 2 375.332 2.247 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000509434562 532769701 /nfs/dbraw/zinc/76/97/01/532769701.db2.gz FEEDXWGUPMDFSY-QWHCGFSZSA-N 1 2 375.332 2.247 20 0 GEADLO Cc1nc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)c(Br)s1 ZINC000411596993 532770082 /nfs/dbraw/zinc/77/00/82/532770082.db2.gz NVOUXITWCBJIDM-UHFFFAOYSA-N 1 2 388.291 2.324 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000584568251 532770507 /nfs/dbraw/zinc/77/05/07/532770507.db2.gz YAMKGHPAIAXFPJ-VBNZEHGJSA-N 1 2 382.302 2.325 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000287035265 532779847 /nfs/dbraw/zinc/77/98/47/532779847.db2.gz HESDVZSRUQODPQ-WBMJQRKESA-N 1 2 390.311 2.437 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2cscc2Br)C1 ZINC000286878306 532774075 /nfs/dbraw/zinc/77/40/75/532774075.db2.gz WKHHQLOGUYFFTB-SNVBAGLBSA-N 1 2 396.314 2.229 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2cscc2Br)C1 ZINC000286878306 532774080 /nfs/dbraw/zinc/77/40/80/532774080.db2.gz WKHHQLOGUYFFTB-SNVBAGLBSA-N 1 2 396.314 2.229 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000545190831 532783793 /nfs/dbraw/zinc/78/37/93/532783793.db2.gz RVSMITMKRBPRHF-JKSUJKDBSA-N 1 2 387.933 2.161 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCOc1cccc(Cl)c1Cl ZINC000545205877 532783856 /nfs/dbraw/zinc/78/38/56/532783856.db2.gz LRCDLOOENAEBFS-UHFFFAOYSA-N 1 2 397.324 2.014 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456739776 532784016 /nfs/dbraw/zinc/78/40/16/532784016.db2.gz ZCKHTAJYIAYHCP-LBPRGKRZSA-N 1 2 384.249 2.211 20 0 GEADLO COc1ccc(Br)cc1C[C@H](CO)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000456735128 532784022 /nfs/dbraw/zinc/78/40/22/532784022.db2.gz WOAHBKCJIJMPDQ-LBPRGKRZSA-N 1 2 396.285 2.081 20 0 GEADLO CCC[N@H+](CC(=O)OCC)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000321498117 532787687 /nfs/dbraw/zinc/78/76/87/532787687.db2.gz UMJAXCKHXKHDSB-UHFFFAOYSA-N 1 2 382.258 2.232 20 0 GEADLO CCC[N@@H+](CC(=O)OCC)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000321498117 532787692 /nfs/dbraw/zinc/78/76/92/532787692.db2.gz UMJAXCKHXKHDSB-UHFFFAOYSA-N 1 2 382.258 2.232 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C)c(Br)c2)C1 ZINC000412363078 532789463 /nfs/dbraw/zinc/78/94/63/532789463.db2.gz JFDAWFNXXYVKQW-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C)c(Br)c2)C1 ZINC000412363078 532789465 /nfs/dbraw/zinc/78/94/65/532789465.db2.gz JFDAWFNXXYVKQW-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000548460378 532791843 /nfs/dbraw/zinc/79/18/43/532791843.db2.gz YNLIDHYRRNLIJD-UHFFFAOYSA-N 1 2 394.273 2.053 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000287432366 532795625 /nfs/dbraw/zinc/79/56/25/532795625.db2.gz QSEDYZNKINETSY-CZUORRHYSA-N 1 2 394.313 2.197 20 0 GEADLO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3cnc(C)s3)CC2)cc1 ZINC000269312307 532780272 /nfs/dbraw/zinc/78/02/72/532780272.db2.gz XJABURKYPSUABI-UHFFFAOYSA-N 1 2 381.523 2.357 20 0 GEADLO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3cnc(C)s3)CC2)cc1 ZINC000269312307 532780276 /nfs/dbraw/zinc/78/02/76/532780276.db2.gz XJABURKYPSUABI-UHFFFAOYSA-N 1 2 381.523 2.357 20 0 GEADLO COC[C@H](C)CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000554901038 532805894 /nfs/dbraw/zinc/80/58/94/532805894.db2.gz OYQJXAJXVWMSSH-KNXALSJPSA-N 1 2 378.897 2.426 20 0 GEADLO COC[C@H](C)CS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000554901038 532805896 /nfs/dbraw/zinc/80/58/96/532805896.db2.gz OYQJXAJXVWMSSH-KNXALSJPSA-N 1 2 378.897 2.426 20 0 GEADLO Cc1nn2c(C[N@@H+]3CCC[C@H](S(=O)(=O)N(C)C)C3)c(C(C)C)nc2s1 ZINC000329457518 532807105 /nfs/dbraw/zinc/80/71/05/532807105.db2.gz QNYBEYLJWLVACX-ZDUSSCGKSA-N 1 2 385.559 2.078 20 0 GEADLO Cc1nn2c(C[N@H+]3CCC[C@H](S(=O)(=O)N(C)C)C3)c(C(C)C)nc2s1 ZINC000329457518 532807107 /nfs/dbraw/zinc/80/71/07/532807107.db2.gz QNYBEYLJWLVACX-ZDUSSCGKSA-N 1 2 385.559 2.078 20 0 GEADLO Cc1c(CNC(=O)C(=O)NCCn2cc[nH+]c2)sc2ccc(Cl)cc12 ZINC000555724564 532809853 /nfs/dbraw/zinc/80/98/53/532809853.db2.gz YEZDQGXXEFKDFA-UHFFFAOYSA-N 1 2 376.869 2.492 20 0 GEADLO CC(C)Cc1ncnc(NCCc2cn(C)c[nH+]2)c1I ZINC000413378329 532810595 /nfs/dbraw/zinc/81/05/95/532810595.db2.gz FCYFFKHODYAXEM-UHFFFAOYSA-N 1 2 385.253 2.668 20 0 GEADLO CC(=O)N[C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000550112113 532798038 /nfs/dbraw/zinc/79/80/38/532798038.db2.gz LVCQOVQXYYEFQU-CYBMUJFWSA-N 1 2 393.285 2.199 20 0 GEADLO Cn1c2c([nH+]c1[C@H]1CCCN1c1cnn(C)c(=O)c1Br)CCCC2 ZINC000328937922 532800289 /nfs/dbraw/zinc/80/02/89/532800289.db2.gz GMVJRMNBGMLSSL-CYBMUJFWSA-N 1 2 392.301 2.497 20 0 GEADLO Cc1cc[nH+]c(C)c1NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000287570106 532800362 /nfs/dbraw/zinc/80/03/62/532800362.db2.gz QDFYBSFOAIMCLC-UHFFFAOYSA-N 1 2 376.429 2.084 20 0 GEADLO C[C@@H](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(F)c(Br)c1 ZINC000462249769 532802014 /nfs/dbraw/zinc/80/20/14/532802014.db2.gz WEYSJOCDHXATIP-GXTWGEPZSA-N 1 2 384.293 2.198 20 0 GEADLO O=C1[C@H]([N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccc(Cl)cc1Cl ZINC000329161992 532803043 /nfs/dbraw/zinc/80/30/43/532803043.db2.gz FVTDHRNTOFKBOI-COLVAYQJSA-N 1 2 389.304 2.218 20 0 GEADLO O=C1[C@H]([N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccc(Cl)cc1Cl ZINC000329161992 532803047 /nfs/dbraw/zinc/80/30/47/532803047.db2.gz FVTDHRNTOFKBOI-COLVAYQJSA-N 1 2 389.304 2.218 20 0 GEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(CSC(F)F)o1 ZINC000271179234 532804026 /nfs/dbraw/zinc/80/40/26/532804026.db2.gz LLFAEXGMIYSFLU-UHFFFAOYSA-N 1 2 378.441 2.043 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)Nc1ccsc1Cl)C1CCOCC1 ZINC000287639248 532804125 /nfs/dbraw/zinc/80/41/25/532804125.db2.gz CETNSVJPSMKJDL-LBPRGKRZSA-N 1 2 382.873 2.358 20 0 GEADLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C)CC1 ZINC000330421251 532818022 /nfs/dbraw/zinc/81/80/22/532818022.db2.gz QFGYSBGAELVAQR-CQSZACIVSA-N 1 2 380.432 2.091 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000330422655 532817856 /nfs/dbraw/zinc/81/78/56/532817856.db2.gz QRLWUNGYUZGKGT-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000330422655 532817858 /nfs/dbraw/zinc/81/78/58/532817858.db2.gz QRLWUNGYUZGKGT-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000330422657 532817926 /nfs/dbraw/zinc/81/79/26/532817926.db2.gz QRLWUNGYUZGKGT-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000330422657 532817928 /nfs/dbraw/zinc/81/79/28/532817928.db2.gz QRLWUNGYUZGKGT-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000330234557 532816137 /nfs/dbraw/zinc/81/61/37/532816137.db2.gz YJNBZKDXHDMCFZ-SECBINFHSA-N 1 2 376.301 2.309 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCO[C@@H](C)C3)[nH+]c12 ZINC000273419951 532823708 /nfs/dbraw/zinc/82/37/08/532823708.db2.gz RPNOOQJYJDOOQO-LBPRGKRZSA-N 1 2 381.274 2.378 20 0 GEADLO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1nc2ncccn2n1 ZINC000414260058 532821246 /nfs/dbraw/zinc/82/12/46/532821246.db2.gz HEZYDCNEAGGPBS-NSHDSACASA-N 1 2 389.257 2.394 20 0 GEADLO COc1c(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc(Cl)cc1C(=O)N(C)C ZINC000330565747 532821403 /nfs/dbraw/zinc/82/14/03/532821403.db2.gz KIXVMDWRUFWWIM-LLVKDONJSA-N 1 2 385.917 2.426 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCCOC3)[nH+]c12 ZINC000273289084 532822411 /nfs/dbraw/zinc/82/24/11/532822411.db2.gz MLGIYFJJQABAEK-CQSZACIVSA-N 1 2 381.274 2.426 20 0 GEADLO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1CCCCS1(=O)=O ZINC000273326874 532823058 /nfs/dbraw/zinc/82/30/58/532823058.db2.gz IDMBXOFMGWZNOG-KRWDZBQOSA-N 1 2 382.551 2.450 20 0 GEADLO CCn1cc(C(=O)NCC[NH+]2CCSCC2)c(=O)c2cc(Cl)ccc21 ZINC000273505517 532825685 /nfs/dbraw/zinc/82/56/85/532825685.db2.gz ZRWQBFYRZJAJCD-UHFFFAOYSA-N 1 2 379.913 2.453 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)c3nncn3C)[nH+]c12 ZINC000273527235 532825697 /nfs/dbraw/zinc/82/56/97/532825697.db2.gz YGKDSTGDVTXMNG-JTQLQIEISA-N 1 2 392.261 2.094 20 0 GEADLO COC(=O)[C@H](CF)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000288370232 532825857 /nfs/dbraw/zinc/82/58/57/532825857.db2.gz QSAHJSBYLHMNDZ-KBPBESRZSA-N 1 2 387.249 2.213 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CCCc1ccc(Br)cc1F ZINC000288300864 532823955 /nfs/dbraw/zinc/82/39/55/532823955.db2.gz LMLOHQZPNFVZHV-AWEZNQCLSA-N 1 2 395.232 2.407 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CCCc1ccc(Br)cc1F ZINC000288300864 532823965 /nfs/dbraw/zinc/82/39/65/532823965.db2.gz LMLOHQZPNFVZHV-AWEZNQCLSA-N 1 2 395.232 2.407 20 0 GEADLO CN(Cc1nncn1C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000288301496 532823987 /nfs/dbraw/zinc/82/39/87/532823987.db2.gz NNGJKMYDMDUULV-MRXNPFEDSA-N 1 2 392.301 2.373 20 0 GEADLO CNc1nnc(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)s1 ZINC000273606403 532828482 /nfs/dbraw/zinc/82/84/82/532828482.db2.gz WQBPBPCGGVSTQY-AWEZNQCLSA-N 1 2 376.873 2.415 20 0 GEADLO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000414456955 532828022 /nfs/dbraw/zinc/82/80/22/532828022.db2.gz KIDDNMURIHPKGF-LLVKDONJSA-N 1 2 385.873 2.246 20 0 GEADLO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1Br ZINC000330904833 532830032 /nfs/dbraw/zinc/83/00/32/532830032.db2.gz UNARAPHNQWXZHY-LBPRGKRZSA-N 1 2 391.331 2.004 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c(Cl)c1Cl ZINC000330888654 532828976 /nfs/dbraw/zinc/82/89/76/532828976.db2.gz IGXYSPAXYAIHSN-NSHDSACASA-N 1 2 397.324 2.249 20 0 GEADLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000288588360 532832373 /nfs/dbraw/zinc/83/23/73/532832373.db2.gz YSDUQAROXFFLRF-MLGOLLRUSA-N 1 2 384.929 2.491 20 0 GEADLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000288588360 532832376 /nfs/dbraw/zinc/83/23/76/532832376.db2.gz YSDUQAROXFFLRF-MLGOLLRUSA-N 1 2 384.929 2.491 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000331139688 532834180 /nfs/dbraw/zinc/83/41/80/532834180.db2.gz DVBAJHYMLXTUBG-CMPLNLGQSA-N 1 2 394.324 2.334 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000331139688 532834183 /nfs/dbraw/zinc/83/41/83/532834183.db2.gz DVBAJHYMLXTUBG-CMPLNLGQSA-N 1 2 394.324 2.334 20 0 GEADLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccc(Br)cn1 ZINC000288701314 532835584 /nfs/dbraw/zinc/83/55/84/532835584.db2.gz NSADYSVJVVFGBU-KCQAQPDRSA-N 1 2 397.317 2.410 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)NCCS(=O)(=O)C(C)C)c1ccsc1 ZINC000288700346 532835326 /nfs/dbraw/zinc/83/53/26/532835326.db2.gz UPWHBSIRBFNDLU-HNNXBMFYSA-N 1 2 375.560 2.253 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000273939531 532837725 /nfs/dbraw/zinc/83/77/25/532837725.db2.gz GFZXBOCUMUWCII-CQSZACIVSA-N 1 2 395.301 2.232 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000273939531 532837728 /nfs/dbraw/zinc/83/77/28/532837728.db2.gz GFZXBOCUMUWCII-CQSZACIVSA-N 1 2 395.301 2.232 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000331387848 532838896 /nfs/dbraw/zinc/83/88/96/532838896.db2.gz ILSHHMXIIMUASD-UHFFFAOYSA-N 1 2 385.295 2.411 20 0 GEADLO O=C(C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1)N(Cc1ccccc1)C1CC1 ZINC000359941086 212126271 /nfs/dbraw/zinc/12/62/71/212126271.db2.gz KCAUFVBAYBGLCD-UHFFFAOYSA-N 1 2 380.492 2.354 20 0 GEADLO O=C(C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1)N(Cc1ccccc1)C1CC1 ZINC000359941086 212126274 /nfs/dbraw/zinc/12/62/74/212126274.db2.gz KCAUFVBAYBGLCD-UHFFFAOYSA-N 1 2 380.492 2.354 20 0 GEADLO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000359937334 212126032 /nfs/dbraw/zinc/12/60/32/212126032.db2.gz PCZIARPAEHVVPD-ZDUSSCGKSA-N 1 2 397.435 2.037 20 0 GEADLO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000359937334 212126034 /nfs/dbraw/zinc/12/60/34/212126034.db2.gz PCZIARPAEHVVPD-ZDUSSCGKSA-N 1 2 397.435 2.037 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000359877084 212121868 /nfs/dbraw/zinc/12/18/68/212121868.db2.gz VXUMYYUGHQPHBO-BBRMVZONSA-N 1 2 380.851 2.074 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000359877084 212121871 /nfs/dbraw/zinc/12/18/71/212121871.db2.gz VXUMYYUGHQPHBO-BBRMVZONSA-N 1 2 380.851 2.074 20 0 GEADLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000331703137 532842797 /nfs/dbraw/zinc/84/27/97/532842797.db2.gz GJGGUSQELFBWDC-CYBMUJFWSA-N 1 2 380.286 2.228 20 0 GEADLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000331703137 532842800 /nfs/dbraw/zinc/84/28/00/532842800.db2.gz GJGGUSQELFBWDC-CYBMUJFWSA-N 1 2 380.286 2.228 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000331690375 532842919 /nfs/dbraw/zinc/84/29/19/532842919.db2.gz BEEGLBZVAGOZPY-AAEUAGOBSA-N 1 2 395.301 2.244 20 0 GEADLO NC(=O)c1ccc(N2CC[NH+](Cc3cscc3Br)CC2)nc1 ZINC000288989907 532843871 /nfs/dbraw/zinc/84/38/71/532843871.db2.gz DCTPUVAPTCCUPT-UHFFFAOYSA-N 1 2 381.299 2.327 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H]([C@@H](C)O)C3)[nH+]c12 ZINC000274205516 532844182 /nfs/dbraw/zinc/84/41/82/532844182.db2.gz MUNBOXDMMXYBMK-NEPJUHHUSA-N 1 2 381.274 2.318 20 0 GEADLO Cc1cc(N2CC[C@H](NC(=O)CCn3cc[nH+]c3)C2=O)ccc1Br ZINC000274222801 532844901 /nfs/dbraw/zinc/84/49/01/532844901.db2.gz PAZOQZLVWNJAKS-HNNXBMFYSA-N 1 2 391.269 2.266 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000289023895 532844966 /nfs/dbraw/zinc/84/49/66/532844966.db2.gz ANVDPTJJTIZVIA-UHFFFAOYSA-N 1 2 389.308 2.266 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000289032854 532845348 /nfs/dbraw/zinc/84/53/48/532845348.db2.gz MZRIRJRAPDKMLJ-YPMHNXCESA-N 1 2 386.279 2.254 20 0 GEADLO Cc1ncc(S(=O)(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)s1 ZINC000274264473 532846709 /nfs/dbraw/zinc/84/67/09/532846709.db2.gz DHUAVQNKJZAXHN-UHFFFAOYSA-N 1 2 382.511 2.451 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)c3nc[nH]n3)[nH+]c12 ZINC000274258064 532846716 /nfs/dbraw/zinc/84/67/16/532846716.db2.gz USYZRARZLHFKDW-VIFPVBQESA-N 1 2 378.234 2.084 20 0 GEADLO COC(=O)[C@@H]1CCN(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000274281070 532846944 /nfs/dbraw/zinc/84/69/44/532846944.db2.gz YVYQQPKRSRKSHB-LLVKDONJSA-N 1 2 395.257 2.110 20 0 GEADLO Cc1[nH]c(C(=O)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)c[nH+]1 ZINC000332224095 532850056 /nfs/dbraw/zinc/85/00/56/532850056.db2.gz ZGLDXGZWGCMABM-CYBMUJFWSA-N 1 2 377.242 2.324 20 0 GEADLO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274471565 532851136 /nfs/dbraw/zinc/85/11/36/532851136.db2.gz CKJYGUNTGBPJDJ-SNVBAGLBSA-N 1 2 383.221 2.237 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H](C)C[C@H](O)C3)[nH+]c12 ZINC000332366889 532853307 /nfs/dbraw/zinc/85/33/07/532853307.db2.gz YBEXMITZIBKDTJ-HZMBPMFUSA-N 1 2 381.274 2.318 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cccc(Br)c2OC)CC1 ZINC000289453909 532855302 /nfs/dbraw/zinc/85/53/02/532855302.db2.gz NLXRGYHPHGZUCE-UHFFFAOYSA-N 1 2 391.331 2.361 20 0 GEADLO Cc1ccc(CC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1Br ZINC000332501992 532856653 /nfs/dbraw/zinc/85/66/53/532856653.db2.gz JDMBSRZFWFOVLU-UHFFFAOYSA-N 1 2 377.286 2.368 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3ccc4ncsc4c3)CC2)S1 ZINC000274866119 532858549 /nfs/dbraw/zinc/85/85/49/532858549.db2.gz KUXKANFLQHDEOW-NSHDSACASA-N 1 2 382.536 2.094 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1ncc(Br)cn1 ZINC000332804837 532861741 /nfs/dbraw/zinc/86/17/41/532861741.db2.gz NWMFJLMASWBYGM-RISCZKNCSA-N 1 2 383.290 2.060 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1ncc(Br)cn1 ZINC000332804837 532861742 /nfs/dbraw/zinc/86/17/42/532861742.db2.gz NWMFJLMASWBYGM-RISCZKNCSA-N 1 2 383.290 2.060 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@@H+]1CCSC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000333032611 532862799 /nfs/dbraw/zinc/86/27/99/532862799.db2.gz MOVGDGVLXFXUFL-HUUCEWRRSA-N 1 2 376.588 2.018 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@H+]1CCSC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000333032611 532862801 /nfs/dbraw/zinc/86/28/01/532862801.db2.gz MOVGDGVLXFXUFL-HUUCEWRRSA-N 1 2 376.588 2.018 20 0 GEADLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000333082307 532863643 /nfs/dbraw/zinc/86/36/43/532863643.db2.gz XJMVTPBTOQAWKB-STQMWFEESA-N 1 2 382.511 2.359 20 0 GEADLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000333082307 532863645 /nfs/dbraw/zinc/86/36/45/532863645.db2.gz XJMVTPBTOQAWKB-STQMWFEESA-N 1 2 382.511 2.359 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)Cc2cc(Cl)c(Br)cc2F)C1 ZINC000416147010 532865064 /nfs/dbraw/zinc/86/50/64/532865064.db2.gz WIEXYVNANXEZRJ-SNVBAGLBSA-N 1 2 379.657 2.231 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)Cc2cc(Cl)c(Br)cc2F)C1 ZINC000416147010 532865066 /nfs/dbraw/zinc/86/50/66/532865066.db2.gz WIEXYVNANXEZRJ-SNVBAGLBSA-N 1 2 379.657 2.231 20 0 GEADLO Cn1cc(Br)c(CNC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)n1 ZINC000333191485 532866130 /nfs/dbraw/zinc/86/61/30/532866130.db2.gz OIUQRYZJGCSYCY-GFCCVEGCSA-N 1 2 381.278 2.209 20 0 GEADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(F)cc(Br)c1O ZINC000416213519 532867316 /nfs/dbraw/zinc/86/73/16/532867316.db2.gz HMBVZFLHWVVESO-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(F)cc(Br)c1O ZINC000416213519 532867319 /nfs/dbraw/zinc/86/73/19/532867319.db2.gz HMBVZFLHWVVESO-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@@H]1C[C@@]12CCOC2 ZINC000333537438 532870610 /nfs/dbraw/zinc/87/06/10/532870610.db2.gz RHTLBRLJLWBMAQ-MEDUHNTESA-N 1 2 382.258 2.046 20 0 GEADLO CC[N@H+](CCS(C)(=O)=O)Cc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000290036131 532870873 /nfs/dbraw/zinc/87/08/73/532870873.db2.gz NTBJHHPDQURESA-UHFFFAOYSA-N 1 2 381.441 2.214 20 0 GEADLO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000290036131 532870875 /nfs/dbraw/zinc/87/08/75/532870875.db2.gz NTBJHHPDQURESA-UHFFFAOYSA-N 1 2 381.441 2.214 20 0 GEADLO CN(C)c1cc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)[nH+]cc1Br ZINC000333693961 532871927 /nfs/dbraw/zinc/87/19/27/532871927.db2.gz QTOAKJWIZATUJP-VXGBXAGGSA-N 1 2 396.289 2.185 20 0 GEADLO Cc1cc(S(=O)(=O)NCC[NH+]2CCSCC2)c(F)cc1Br ZINC000416388505 532875082 /nfs/dbraw/zinc/87/50/82/532875082.db2.gz LHWCVJNLGDNIEV-UHFFFAOYSA-N 1 2 397.335 2.224 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)c2nc3ccccc3cc2Br)CC1 ZINC000290205945 532875049 /nfs/dbraw/zinc/87/50/49/532875049.db2.gz PZPNRDXOJSONNY-LBPRGKRZSA-N 1 2 378.270 2.136 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)C[C@@H]1C ZINC000416458744 532878061 /nfs/dbraw/zinc/87/80/61/532878061.db2.gz ZTJLGVDIMFMEKG-NWDGAFQWSA-N 1 2 387.933 2.111 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)C[C@@H]1C ZINC000416458744 532878065 /nfs/dbraw/zinc/87/80/65/532878065.db2.gz ZTJLGVDIMFMEKG-NWDGAFQWSA-N 1 2 387.933 2.111 20 0 GEADLO Cn1c[nH+]cc1CNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000290319340 532878135 /nfs/dbraw/zinc/87/81/35/532878135.db2.gz ZGFOKFJNWZODHM-UHFFFAOYSA-N 1 2 378.679 2.456 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2nc(Cl)ccc2Cl)C1 ZINC000275717380 532882001 /nfs/dbraw/zinc/88/20/01/532882001.db2.gz OKMSRUXNCGBHAI-JTQLQIEISA-N 1 2 381.267 2.107 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2nc(Cl)ccc2Cl)C1 ZINC000275717380 532882005 /nfs/dbraw/zinc/88/20/05/532882005.db2.gz OKMSRUXNCGBHAI-JTQLQIEISA-N 1 2 381.267 2.107 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)c3ncn(C)n3)[nH+]c12 ZINC000275808515 532883545 /nfs/dbraw/zinc/88/35/45/532883545.db2.gz LFJZJKNVRKKDDA-SNVBAGLBSA-N 1 2 392.261 2.094 20 0 GEADLO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)C1 ZINC000275653328 532880346 /nfs/dbraw/zinc/88/03/46/532880346.db2.gz LVMXUZHBSNGFEZ-GFCCVEGCSA-N 1 2 387.552 2.179 20 0 GEADLO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)C1 ZINC000275653328 532880349 /nfs/dbraw/zinc/88/03/49/532880349.db2.gz LVMXUZHBSNGFEZ-GFCCVEGCSA-N 1 2 387.552 2.179 20 0 GEADLO COc1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c(OC)n1 ZINC000290648183 532885915 /nfs/dbraw/zinc/88/59/15/532885915.db2.gz ONAQBWSNXGOZOC-AWEZNQCLSA-N 1 2 380.242 2.178 20 0 GEADLO CSc1nnc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)s1 ZINC000275928196 532886310 /nfs/dbraw/zinc/88/63/10/532886310.db2.gz VKZOXXQMJLIOOW-OAHLLOKOSA-N 1 2 378.523 2.074 20 0 GEADLO C[C@@H]1CC[C@H](O)CN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000421165958 532889486 /nfs/dbraw/zinc/88/94/86/532889486.db2.gz YJWXSNMEWXILNK-NEPJUHHUSA-N 1 2 399.289 2.058 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2cc(Cl)ncc2Br)CC1 ZINC000290860999 532891214 /nfs/dbraw/zinc/89/12/14/532891214.db2.gz RVDIDDBOSIDARC-UHFFFAOYSA-N 1 2 376.682 2.292 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1cnc(Cl)c(Cl)c1 ZINC000360955125 532892103 /nfs/dbraw/zinc/89/21/03/532892103.db2.gz AAODRPHPSRNBPU-SMDDNHRTSA-N 1 2 394.324 2.168 20 0 GEADLO COc1ccc(C(=O)N2CCn3c[nH+]cc3C2)c(I)c1 ZINC000290955725 532893828 /nfs/dbraw/zinc/89/38/28/532893828.db2.gz QTKJKWBJPDLZBB-UHFFFAOYSA-N 1 2 383.189 2.152 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2ccc(Br)cc2)C1 ZINC000276550956 532897780 /nfs/dbraw/zinc/89/77/80/532897780.db2.gz RZYATIHIJTZSDI-CQSZACIVSA-N 1 2 390.285 2.168 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2ccc(Br)cc2)C1 ZINC000276550956 532897783 /nfs/dbraw/zinc/89/77/83/532897783.db2.gz RZYATIHIJTZSDI-CQSZACIVSA-N 1 2 390.285 2.168 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000291183730 532897889 /nfs/dbraw/zinc/89/78/89/532897889.db2.gz CEMDVQNTZMJIMU-DAXOMENPSA-N 1 2 395.297 2.247 20 0 GEADLO C[C@H]1C[C@H](NC(=O)Cc2cn3ccccc3[nH+]2)c2ccsc2S1(=O)=O ZINC000291281668 532899593 /nfs/dbraw/zinc/89/95/93/532899593.db2.gz OOUNYYVQWLGFRR-FZMZJTMJSA-N 1 2 375.475 2.362 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CC[C@@H](O)C3)[nH+]c12 ZINC000276684156 532899812 /nfs/dbraw/zinc/89/98/12/532899812.db2.gz VJMBEPSCKUAQLZ-SMDDNHRTSA-N 1 2 381.274 2.365 20 0 GEADLO Cn1cnc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)c1Cl ZINC000363662019 532900322 /nfs/dbraw/zinc/90/03/22/532900322.db2.gz YRHOXSKMBZMUQP-UHFFFAOYSA-N 1 2 386.880 2.109 20 0 GEADLO Cn1cnc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)c1Cl ZINC000363662019 532900324 /nfs/dbraw/zinc/90/03/24/532900324.db2.gz YRHOXSKMBZMUQP-UHFFFAOYSA-N 1 2 386.880 2.109 20 0 GEADLO O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363942499 532902048 /nfs/dbraw/zinc/90/20/48/532902048.db2.gz UVEYONMDQFXPGW-CQSZACIVSA-N 1 2 378.270 2.477 20 0 GEADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccnn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000364028352 532902551 /nfs/dbraw/zinc/90/25/51/532902551.db2.gz HLFSHVTWFNXYOQ-GOEBONIOSA-N 1 2 386.880 2.326 20 0 GEADLO CC[N@H+]1CC[C@H](NS(=O)(=O)c2ccnn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000364028352 532902554 /nfs/dbraw/zinc/90/25/54/532902554.db2.gz HLFSHVTWFNXYOQ-GOEBONIOSA-N 1 2 386.880 2.326 20 0 GEADLO C[C@H]1C[C@H](NC(=O)N(C)CCCn2cc[nH+]c2)c2ccsc2S1(=O)=O ZINC000291383974 532901079 /nfs/dbraw/zinc/90/10/79/532901079.db2.gz YVLSHPAJVJIDAH-JSGCOSHPSA-N 1 2 382.511 2.283 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1csc(C(=O)OC)c1 ZINC000276940075 532903761 /nfs/dbraw/zinc/90/37/61/532903761.db2.gz APJJOMHMYBJMFS-UHFFFAOYSA-N 1 2 385.511 2.395 20 0 GEADLO CN1C(=O)CSC12CC[NH+](CC(=O)Nc1nc3ccccc3s1)CC2 ZINC000364303531 532905852 /nfs/dbraw/zinc/90/58/52/532905852.db2.gz NQSZILYHQBZILR-UHFFFAOYSA-N 1 2 376.507 2.232 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000291671845 532906587 /nfs/dbraw/zinc/90/65/87/532906587.db2.gz KNIFNFYZEYSZEN-UHFFFAOYSA-N 1 2 398.472 2.500 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cn2ccc(Br)cc2n1 ZINC000291664301 532906798 /nfs/dbraw/zinc/90/67/98/532906798.db2.gz VPHZDBQXQPSYRT-BBRMVZONSA-N 1 2 379.302 2.392 20 0 GEADLO O=C(NC[C@H]1CCC[N@H+](Cc2ncc(C3OCCO3)s2)C1)C(F)(F)F ZINC000291690291 532907221 /nfs/dbraw/zinc/90/72/21/532907221.db2.gz YAEJITGEMKAWEK-SNVBAGLBSA-N 1 2 379.404 2.079 20 0 GEADLO O=C(NC[C@H]1CCC[N@@H+](Cc2ncc(C3OCCO3)s2)C1)C(F)(F)F ZINC000291690291 532907222 /nfs/dbraw/zinc/90/72/22/532907222.db2.gz YAEJITGEMKAWEK-SNVBAGLBSA-N 1 2 379.404 2.079 20 0 GEADLO C[C@H](CNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)[NH+]1CCOCC1 ZINC000365393825 532910482 /nfs/dbraw/zinc/91/04/82/532910482.db2.gz WEWOLDOCAYGRSM-IJLUTSLNSA-N 1 2 388.331 2.386 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000365406459 532910633 /nfs/dbraw/zinc/91/06/33/532910633.db2.gz ZUKQDQUAJKOCBQ-QJPTWQEYSA-N 1 2 388.331 2.386 20 0 GEADLO CC(C)S(=O)(=O)CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000291748841 532908341 /nfs/dbraw/zinc/90/83/41/532908341.db2.gz GVHARAUVZVSSDU-OAHLLOKOSA-N 1 2 375.922 2.065 20 0 GEADLO Cc1cc(Br)cn2c(CNc3nnc(-c4nccn4C)o3)c[nH+]c12 ZINC000365841810 532912544 /nfs/dbraw/zinc/91/25/44/532912544.db2.gz UYMNJANXHNAJKU-UHFFFAOYSA-N 1 2 388.229 2.801 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccc(Br)s1)C2 ZINC000365593481 532911419 /nfs/dbraw/zinc/91/14/19/532911419.db2.gz SQDSLWDTJUDPSA-VIFPVBQESA-N 1 2 376.301 2.309 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000292124555 532913448 /nfs/dbraw/zinc/91/34/48/532913448.db2.gz KPVFPNAZZGQMTG-HNNXBMFYSA-N 1 2 376.316 2.239 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000365986759 532913657 /nfs/dbraw/zinc/91/36/57/532913657.db2.gz GXQHSFDRLMPXDD-WFASDCNBSA-N 1 2 390.285 2.227 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000365986759 532913658 /nfs/dbraw/zinc/91/36/58/532913658.db2.gz GXQHSFDRLMPXDD-WFASDCNBSA-N 1 2 390.285 2.227 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc(OC(F)F)c(F)c1)C2 ZINC000366088897 532914453 /nfs/dbraw/zinc/91/44/53/532914453.db2.gz JUGQKOHGJJCLLM-SNVBAGLBSA-N 1 2 375.372 2.225 20 0 GEADLO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(Br)cn1 ZINC000366395314 532916926 /nfs/dbraw/zinc/91/69/26/532916926.db2.gz AVUXGHXRZXZXCQ-DZGCQCFKSA-N 1 2 397.317 2.411 20 0 GEADLO Clc1ncc(Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)s1 ZINC000366404141 532916987 /nfs/dbraw/zinc/91/69/87/532916987.db2.gz XOVIDZNJLSCAQM-CQSZACIVSA-N 1 2 376.873 2.405 20 0 GEADLO Clc1ncc(Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)s1 ZINC000366404141 532916989 /nfs/dbraw/zinc/91/69/89/532916989.db2.gz XOVIDZNJLSCAQM-CQSZACIVSA-N 1 2 376.873 2.405 20 0 GEADLO O[C@@H](COC1CCOCC1)C[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000366393224 532917014 /nfs/dbraw/zinc/91/70/14/532917014.db2.gz QISUMGXZZYZLQT-CQSZACIVSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@@H](COC1CCOCC1)C[N@H+]1CCOc2c(Br)cccc2C1 ZINC000366393224 532917015 /nfs/dbraw/zinc/91/70/15/532917015.db2.gz QISUMGXZZYZLQT-CQSZACIVSA-N 1 2 386.286 2.200 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cn(C)c(Cl)n1)c1ccccc1F ZINC000366504140 532918097 /nfs/dbraw/zinc/91/80/97/532918097.db2.gz CVFUEGZYIHDUAV-ZDUSSCGKSA-N 1 2 383.836 2.014 20 0 GEADLO Cc1nn(C)c(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c1Br ZINC000292796071 532918645 /nfs/dbraw/zinc/91/86/45/532918645.db2.gz MXPJALCYTBUGAX-UHFFFAOYSA-N 1 2 379.306 2.479 20 0 GEADLO O=c1c(Br)c(N2CC[N@@H+]3CCCC[C@H]3C2)cnn1-c1ccccn1 ZINC000292851221 532919485 /nfs/dbraw/zinc/91/94/85/532919485.db2.gz SEORYSICGVMNPO-ZDUSSCGKSA-N 1 2 390.285 2.065 20 0 GEADLO O=c1c(Br)c(N2CC[N@H+]3CCCC[C@H]3C2)cnn1-c1ccccn1 ZINC000292851221 532919486 /nfs/dbraw/zinc/91/94/86/532919486.db2.gz SEORYSICGVMNPO-ZDUSSCGKSA-N 1 2 390.285 2.065 20 0 GEADLO Cn1cc(Br)c(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)n1 ZINC000292899776 532919824 /nfs/dbraw/zinc/91/98/24/532919824.db2.gz JYVBLAPETZEJSH-UHFFFAOYSA-N 1 2 383.212 2.073 20 0 GEADLO O=C1CO[C@@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@@H]2N1 ZINC000366775229 532921163 /nfs/dbraw/zinc/92/11/63/532921163.db2.gz MMIUVECZAVOJRZ-WCQYABFASA-N 1 2 391.212 2.140 20 0 GEADLO O=C1CO[C@@H]2CC[N@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@@H]2N1 ZINC000366775229 532921165 /nfs/dbraw/zinc/92/11/65/532921165.db2.gz MMIUVECZAVOJRZ-WCQYABFASA-N 1 2 391.212 2.140 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](CO)CC1)Nc1ccccc1I ZINC000293014826 532921197 /nfs/dbraw/zinc/92/11/97/532921197.db2.gz DZJNHMSDYZLRCY-LBPRGKRZSA-N 1 2 388.249 2.324 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](CO)CC1)Nc1ccccc1I ZINC000293014826 532921199 /nfs/dbraw/zinc/92/11/99/532921199.db2.gz DZJNHMSDYZLRCY-LBPRGKRZSA-N 1 2 388.249 2.324 20 0 GEADLO Nc1nc(N)nc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2Br)n1 ZINC000293322541 532925244 /nfs/dbraw/zinc/92/52/44/532925244.db2.gz XPKHDLKZVYQYQZ-GFCCVEGCSA-N 1 2 377.290 2.396 20 0 GEADLO Nc1nc(N)nc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2Br)n1 ZINC000293322541 532925245 /nfs/dbraw/zinc/92/52/45/532925245.db2.gz XPKHDLKZVYQYQZ-GFCCVEGCSA-N 1 2 377.290 2.396 20 0 GEADLO C[C@@H]1C[C@@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C[N@@H+]1C1CC1 ZINC000293122243 532922420 /nfs/dbraw/zinc/92/24/20/532922420.db2.gz RBAWQCRWSFPRHN-VXGBXAGGSA-N 1 2 390.285 2.427 20 0 GEADLO C[C@@H]1C[C@@H](Nc2cnn(-c3ccccn3)c(=O)c2Br)C[N@H+]1C1CC1 ZINC000293122243 532922422 /nfs/dbraw/zinc/92/24/22/532922422.db2.gz RBAWQCRWSFPRHN-VXGBXAGGSA-N 1 2 390.285 2.427 20 0 GEADLO COc1cc(I)c(Cl)cc1C[NH2+]Cc1cnn(C)n1 ZINC000293280971 532924451 /nfs/dbraw/zinc/92/44/51/532924451.db2.gz OCFUJUFJIDZTSW-UHFFFAOYSA-N 1 2 392.628 2.372 20 0 GEADLO NC(=O)C[C@H]1CC[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000367701974 532926411 /nfs/dbraw/zinc/92/64/11/532926411.db2.gz HBPYOQLXWMIQNX-MRVPVSSYSA-N 1 2 377.080 2.304 20 0 GEADLO NC(=O)C[C@H]1CC[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000367701974 532926412 /nfs/dbraw/zinc/92/64/12/532926412.db2.gz HBPYOQLXWMIQNX-MRVPVSSYSA-N 1 2 377.080 2.304 20 0 GEADLO COc1ccc(Br)c(CC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000367737410 532927170 /nfs/dbraw/zinc/92/71/70/532927170.db2.gz HSEOMHHHNUPZMG-DZGCQCFKSA-N 1 2 397.313 2.322 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000367993851 532929359 /nfs/dbraw/zinc/92/93/59/532929359.db2.gz NKGBPQWEWKWZHA-UHFFFAOYSA-N 1 2 386.901 2.111 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@H+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000367993851 532929361 /nfs/dbraw/zinc/92/93/61/532929361.db2.gz NKGBPQWEWKWZHA-UHFFFAOYSA-N 1 2 386.901 2.111 20 0 GEADLO CSCc1cnc(C[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)s1 ZINC000293656965 532929901 /nfs/dbraw/zinc/92/99/01/532929901.db2.gz SWHQMFAXFOYWMK-UHFFFAOYSA-N 1 2 376.551 2.445 20 0 GEADLO O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368487444 532932635 /nfs/dbraw/zinc/93/26/35/532932635.db2.gz UBOQSPXAMMUTNY-LBPRGKRZSA-N 1 2 393.843 2.060 20 0 GEADLO COc1c(Br)cccc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293670381 532930212 /nfs/dbraw/zinc/93/02/12/532930212.db2.gz OSNPPACZHLNWDD-AWEZNQCLSA-N 1 2 381.274 2.379 20 0 GEADLO COc1c(Br)cccc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293670381 532930214 /nfs/dbraw/zinc/93/02/14/532930214.db2.gz OSNPPACZHLNWDD-AWEZNQCLSA-N 1 2 381.274 2.379 20 0 GEADLO O=C1NC[C@@H]2C[N@H+](Cc3c(F)ccc(I)c3F)CC[C@@H]12 ZINC000368216467 532931029 /nfs/dbraw/zinc/93/10/29/532931029.db2.gz STLCFKKYQSANOB-RKDXNWHRSA-N 1 2 392.187 2.137 20 0 GEADLO O=C1NC[C@@H]2C[N@@H+](Cc3c(F)ccc(I)c3F)CC[C@@H]12 ZINC000368216467 532931031 /nfs/dbraw/zinc/93/10/31/532931031.db2.gz STLCFKKYQSANOB-RKDXNWHRSA-N 1 2 392.187 2.137 20 0 GEADLO C[C@@](O)(C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1)c1ccc(Br)cc1Cl ZINC000294014986 532934857 /nfs/dbraw/zinc/93/48/57/532934857.db2.gz GZMBBRWQXJQANE-BXUZGUMPSA-N 1 2 396.734 2.429 20 0 GEADLO C[C@@](O)(C[N@H+]1CC[C@@H](S(C)(=O)=O)C1)c1ccc(Br)cc1Cl ZINC000294014986 532934859 /nfs/dbraw/zinc/93/48/59/532934859.db2.gz GZMBBRWQXJQANE-BXUZGUMPSA-N 1 2 396.734 2.429 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(Br)ccc3F)C2)nn1 ZINC000368853198 532934932 /nfs/dbraw/zinc/93/49/32/532934932.db2.gz ACIPIGOTAJADHC-GFCCVEGCSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(Br)ccc3F)C2)nn1 ZINC000368853198 532934933 /nfs/dbraw/zinc/93/49/33/532934933.db2.gz ACIPIGOTAJADHC-GFCCVEGCSA-N 1 2 383.221 2.413 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O)c1ccc(Br)cc1 ZINC000368892224 532935095 /nfs/dbraw/zinc/93/50/95/532935095.db2.gz OXRCSEANPQXVPZ-IUODEOHRSA-N 1 2 382.302 2.227 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O)c1ccc(Br)cc1 ZINC000368892224 532935097 /nfs/dbraw/zinc/93/50/97/532935097.db2.gz OXRCSEANPQXVPZ-IUODEOHRSA-N 1 2 382.302 2.227 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCC[C@@H](N4CCNC4=O)C3)c[nH+]c12 ZINC000368612977 532933665 /nfs/dbraw/zinc/93/36/65/532933665.db2.gz KWRUMNQHTSJKJU-CQSZACIVSA-N 1 2 392.301 2.395 20 0 GEADLO C[C@H]1[C@@H]([NH2+]Cc2ncc(Br)cc2Br)CCS1(=O)=O ZINC000293996947 532934452 /nfs/dbraw/zinc/93/44/52/532934452.db2.gz SLSOICVTMQJUBH-XVKPBYJWSA-N 1 2 398.120 2.272 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000368806223 532934579 /nfs/dbraw/zinc/93/45/79/532934579.db2.gz QNAXBCIKIVKTOR-SNVBAGLBSA-N 1 2 396.245 2.082 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000368806223 532934581 /nfs/dbraw/zinc/93/45/81/532934581.db2.gz QNAXBCIKIVKTOR-SNVBAGLBSA-N 1 2 396.245 2.082 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000368801687 532934647 /nfs/dbraw/zinc/93/46/47/532934647.db2.gz FDKICJPGGHJSIR-GFCCVEGCSA-N 1 2 382.258 2.167 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000368801687 532934648 /nfs/dbraw/zinc/93/46/48/532934648.db2.gz FDKICJPGGHJSIR-GFCCVEGCSA-N 1 2 382.258 2.167 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000294214540 532937130 /nfs/dbraw/zinc/93/71/30/532937130.db2.gz LVLGHQUFHWEQDJ-AWEZNQCLSA-N 1 2 380.242 2.386 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368965037 532935904 /nfs/dbraw/zinc/93/59/04/532935904.db2.gz JABFDUPSEDSJGZ-NORZTCDRSA-N 1 2 380.286 2.282 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368965037 532935905 /nfs/dbraw/zinc/93/59/05/532935905.db2.gz JABFDUPSEDSJGZ-NORZTCDRSA-N 1 2 380.286 2.282 20 0 GEADLO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000294365621 532938513 /nfs/dbraw/zinc/93/85/13/532938513.db2.gz BXAIPLGFNZVSJZ-UHFFFAOYSA-N 1 2 375.238 2.088 20 0 GEADLO COCC[N@H+]1CCCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000294365621 532938514 /nfs/dbraw/zinc/93/85/14/532938514.db2.gz BXAIPLGFNZVSJZ-UHFFFAOYSA-N 1 2 375.238 2.088 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CN1Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000369465598 532939594 /nfs/dbraw/zinc/93/95/94/532939594.db2.gz VHIHZJPHHGEHED-KBPBESRZSA-N 1 2 382.258 2.168 20 0 GEADLO O=C(c1ccc2[nH+]ccn2c1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000369531848 532939836 /nfs/dbraw/zinc/93/98/36/532939836.db2.gz LXERGZXKRFOPML-MRXNPFEDSA-N 1 2 399.248 2.410 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000370342830 532942927 /nfs/dbraw/zinc/94/29/27/532942927.db2.gz LUSSRWZXDQYJDI-IPYPFGDCSA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000370342830 532942928 /nfs/dbraw/zinc/94/29/28/532942928.db2.gz LUSSRWZXDQYJDI-IPYPFGDCSA-N 1 2 392.279 2.386 20 0 GEADLO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCO[C@H](c3ccc(Cl)s3)C2)C1 ZINC000370353276 532943019 /nfs/dbraw/zinc/94/30/19/532943019.db2.gz KYYODZQHJMWEFC-STQMWFEESA-N 1 2 378.947 2.446 20 0 GEADLO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCO[C@H](c3ccc(Cl)s3)C2)C1 ZINC000370353276 532943020 /nfs/dbraw/zinc/94/30/20/532943020.db2.gz KYYODZQHJMWEFC-STQMWFEESA-N 1 2 378.947 2.446 20 0 GEADLO CCS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000370353726 532943125 /nfs/dbraw/zinc/94/31/25/532943125.db2.gz RLNOVNZPBSDIBL-BZUAXINKSA-N 1 2 376.588 2.018 20 0 GEADLO CCS[C@@H]1CCCC[N@H+]([C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000370353726 532943126 /nfs/dbraw/zinc/94/31/26/532943126.db2.gz RLNOVNZPBSDIBL-BZUAXINKSA-N 1 2 376.588 2.018 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1SCCc2sccc21 ZINC000369725090 532940554 /nfs/dbraw/zinc/94/05/54/532940554.db2.gz FTCIGSBEVOSKKU-NVXWUHKLSA-N 1 2 384.592 2.403 20 0 GEADLO CC(C)(C(=O)N[C@H]1CCOc2ccc(Br)cc21)[NH+]1CCOCC1 ZINC000369750113 532940776 /nfs/dbraw/zinc/94/07/76/532940776.db2.gz LDAKFCIUUHZEAO-AWEZNQCLSA-N 1 2 383.286 2.500 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCc2nnc(N)cc2C1 ZINC000370789961 532945423 /nfs/dbraw/zinc/94/54/23/532945423.db2.gz NIHWPMGVKVIJGH-SNVBAGLBSA-N 1 2 376.258 2.207 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCc2nnc(N)cc2C1 ZINC000370789961 532945424 /nfs/dbraw/zinc/94/54/24/532945424.db2.gz NIHWPMGVKVIJGH-SNVBAGLBSA-N 1 2 376.258 2.207 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000370556530 532944234 /nfs/dbraw/zinc/94/42/34/532944234.db2.gz WCXVINCKGCMTMA-HNNXBMFYSA-N 1 2 381.416 2.248 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000370556530 532944235 /nfs/dbraw/zinc/94/42/35/532944235.db2.gz WCXVINCKGCMTMA-HNNXBMFYSA-N 1 2 381.416 2.248 20 0 GEADLO O=C(CSCc1cc(=O)n2ccsc2n1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371443360 532948268 /nfs/dbraw/zinc/94/82/68/532948268.db2.gz POSCVRKLBBYJQU-LBPRGKRZSA-N 1 2 375.479 2.076 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)CNC(=O)c1ccc(Br)s1 ZINC000371457791 532948277 /nfs/dbraw/zinc/94/82/77/532948277.db2.gz IRIITJVVOFETTE-SNVBAGLBSA-N 1 2 397.298 2.338 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2N[C@@H]1CN(c2ccc(F)cc2)C1=O ZINC000371621094 532949124 /nfs/dbraw/zinc/94/91/24/532949124.db2.gz ZGHQVVXMRKCZJO-SNVBAGLBSA-N 1 2 391.204 2.092 20 0 GEADLO C[C@H](NC(=O)[C@@]1([NH+](C)C)CCCSC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000371199876 532947209 /nfs/dbraw/zinc/94/72/09/532947209.db2.gz XNYGAYJAPNLHJH-YVEFUNNKSA-N 1 2 388.530 2.234 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(Br)c(F)c3)C2)nn1 ZINC000371845612 532949641 /nfs/dbraw/zinc/94/96/41/532949641.db2.gz GQRHLEZNCPASAK-LLVKDONJSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc(Br)c(F)c3)C2)nn1 ZINC000371845612 532949642 /nfs/dbraw/zinc/94/96/42/532949642.db2.gz GQRHLEZNCPASAK-LLVKDONJSA-N 1 2 383.221 2.413 20 0 GEADLO COCCN1C(=O)C[C@@H](CNc2cc[nH+]c(C3CC3)n2)[C@@H]1c1cnn(C)c1C ZINC000275342495 570691024 /nfs/dbraw/zinc/69/10/24/570691024.db2.gz RXXUWFKOOVPQFB-HNAYVOBHSA-N 1 2 384.484 2.044 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC000275686427 570698057 /nfs/dbraw/zinc/69/80/57/570698057.db2.gz MPYMRECAGIFIII-SNPRPXQTSA-N 1 2 387.434 2.173 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC000275686427 570698059 /nfs/dbraw/zinc/69/80/59/570698059.db2.gz MPYMRECAGIFIII-SNPRPXQTSA-N 1 2 387.434 2.173 20 0 GEADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N[C@@H]2CCN(c3cnn(C)c3)C2=O)nc[nH+]1 ZINC000275709976 570698921 /nfs/dbraw/zinc/69/89/21/570698921.db2.gz NZWDWIVPLRECBD-FCEWJHQRSA-N 1 2 399.499 2.043 20 0 GEADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N[C@@H]2CCN(c3cnn(C)c3)C2=O)[nH+]cn1 ZINC000275709976 570698923 /nfs/dbraw/zinc/69/89/23/570698923.db2.gz NZWDWIVPLRECBD-FCEWJHQRSA-N 1 2 399.499 2.043 20 0 GEADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCO[C@@H](c3cnn(C)c3)C2)nc[nH+]1 ZINC000275799723 570700005 /nfs/dbraw/zinc/70/00/05/570700005.db2.gz USXSTBREAAXISH-HLIPFELVSA-N 1 2 386.500 2.404 20 0 GEADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCO[C@@H](c3cnn(C)c3)C2)[nH+]cn1 ZINC000275799723 570700010 /nfs/dbraw/zinc/70/00/10/570700010.db2.gz USXSTBREAAXISH-HLIPFELVSA-N 1 2 386.500 2.404 20 0 GEADLO CC(C)[C@H]1CC(=O)N(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735746936 598827846 /nfs/dbraw/zinc/82/78/46/598827846.db2.gz MPDLFVWVPYCVDO-INIZCTEOSA-N 1 2 384.484 2.172 20 0 GEADLO CCC(CC)[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)[NH+]1CCOCC1 ZINC000736337644 598935378 /nfs/dbraw/zinc/93/53/78/598935378.db2.gz MJMSCTYBJSRSOY-HNNXBMFYSA-N 1 2 379.896 2.464 20 0 GEADLO CCc1[nH+]ccn1[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[nH]n2)C1 ZINC000736705603 598966157 /nfs/dbraw/zinc/96/61/57/598966157.db2.gz LZOXBSUGIRMZET-ZDUSSCGKSA-N 1 2 375.440 2.410 20 0 GEADLO C[C@H](C(=O)OCc1ccc(F)cc1-c1nn[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000735572954 599016178 /nfs/dbraw/zinc/01/61/78/599016178.db2.gz ZGOZRJWYLSGNSX-CYBMUJFWSA-N 1 2 381.411 2.496 20 0 GEADLO C[C@H](C(=O)OCc1ccc(F)cc1-c1nn[nH]n1)[N@H+]1CCc2ccccc2C1 ZINC000735572954 599016180 /nfs/dbraw/zinc/01/61/80/599016180.db2.gz ZGOZRJWYLSGNSX-CYBMUJFWSA-N 1 2 381.411 2.496 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000737224871 599029671 /nfs/dbraw/zinc/02/96/71/599029671.db2.gz IVDSYDHPGKEESE-UHFFFAOYSA-N 1 2 381.421 2.162 20 0 GEADLO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000736198765 599140368 /nfs/dbraw/zinc/14/03/68/599140368.db2.gz UIOWUWWVPPXQSD-CQSZACIVSA-N 1 2 380.427 2.411 20 0 GEADLO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000736198765 599140371 /nfs/dbraw/zinc/14/03/71/599140371.db2.gz UIOWUWWVPPXQSD-CQSZACIVSA-N 1 2 380.427 2.411 20 0 GEADLO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2N1CCN(c2cccc[nH+]2)CC1 ZINC000737660817 599253397 /nfs/dbraw/zinc/25/33/97/599253397.db2.gz RFRVLWPKXMEMGX-UHFFFAOYSA-N 1 2 394.389 2.415 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1Nc1c2ccccc2nnc1-c1nn[nH]n1 ZINC000822449613 607306109 /nfs/dbraw/zinc/30/61/09/607306109.db2.gz GVQDFMCMPILHMN-UHFFFAOYSA-N 1 2 389.423 2.094 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC(NC(=O)C2CC2)CC1 ZINC000737409451 599270306 /nfs/dbraw/zinc/27/03/06/599270306.db2.gz OIUXDRHASSZSOE-UHFFFAOYSA-N 1 2 377.452 2.218 20 0 GEADLO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735796542 598252254 /nfs/dbraw/zinc/25/22/54/598252254.db2.gz DDBUWGKVDLLXJX-QGZVFWFLSA-N 1 2 399.543 2.320 20 0 GEADLO CCCCC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736441850 598253158 /nfs/dbraw/zinc/25/31/58/598253158.db2.gz VHKJUARAWGHGSI-MRXNPFEDSA-N 1 2 385.516 2.074 20 0 GEADLO CCCCN(CCCC)C(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736456787 598253200 /nfs/dbraw/zinc/25/32/00/598253200.db2.gz KLUDTFBZBLDKJF-UHFFFAOYSA-N 1 2 399.543 2.418 20 0 GEADLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736274331 598253292 /nfs/dbraw/zinc/25/32/92/598253292.db2.gz UKGGHOPFPGARBB-SOLBZPMBSA-N 1 2 397.527 2.072 20 0 GEADLO CCS[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000736663363 598451724 /nfs/dbraw/zinc/45/17/24/598451724.db2.gz FDGMXAGGYOSFBO-QGZVFWFLSA-N 1 2 388.541 2.289 20 0 GEADLO CCCCCCOCC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736448456 598456758 /nfs/dbraw/zinc/45/67/58/598456758.db2.gz ZCRJCTQFWZUEIH-UHFFFAOYSA-N 1 2 386.500 2.108 20 0 GEADLO O=C(c1ccc2[nH]ccc2c1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738267941 598457777 /nfs/dbraw/zinc/45/77/77/598457777.db2.gz GMWZTGKFPNKXFN-UHFFFAOYSA-N 1 2 387.447 2.306 20 0 GEADLO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000736171283 598472709 /nfs/dbraw/zinc/47/27/09/598472709.db2.gz VHFLDTAFPWMNTN-BBRMVZONSA-N 1 2 383.456 2.062 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736097762 598548118 /nfs/dbraw/zinc/54/81/18/598548118.db2.gz QJIQRYWMCRKGKW-ZDUSSCGKSA-N 1 2 393.407 2.054 20 0 GEADLO COc1ccccc1C[NH+]1CCN(CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737149380 598553030 /nfs/dbraw/zinc/55/30/30/598553030.db2.gz HSZQUOQEJFMDKA-UHFFFAOYSA-N 1 2 394.479 2.072 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737875136 598615013 /nfs/dbraw/zinc/61/50/13/598615013.db2.gz CCPKCJBKCKQTQB-MRXNPFEDSA-N 1 2 392.419 2.371 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737875136 598615014 /nfs/dbraw/zinc/61/50/14/598615014.db2.gz CCPKCJBKCKQTQB-MRXNPFEDSA-N 1 2 392.419 2.371 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737879572 598615109 /nfs/dbraw/zinc/61/51/09/598615109.db2.gz VVPRZLVMJPZBKI-INIZCTEOSA-N 1 2 392.419 2.371 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737879572 598615110 /nfs/dbraw/zinc/61/51/10/598615110.db2.gz VVPRZLVMJPZBKI-INIZCTEOSA-N 1 2 392.419 2.371 20 0 GEADLO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000737546093 598670857 /nfs/dbraw/zinc/67/08/57/598670857.db2.gz CKQVDTJVRMULEX-CQSZACIVSA-N 1 2 392.423 2.233 20 0 GEADLO Fc1cc(F)c2ncc(-c3nn[nH]n3)c(N3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000737643117 598770661 /nfs/dbraw/zinc/77/06/61/598770661.db2.gz AQZRYSCGXPNNPT-UHFFFAOYSA-N 1 2 394.389 2.415 20 0 GEADLO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000736181806 598808190 /nfs/dbraw/zinc/80/81/90/598808190.db2.gz AWFFRJIZMKPNBB-CQSZACIVSA-N 1 2 381.440 2.038 20 0 GEADLO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000736196638 599316922 /nfs/dbraw/zinc/31/69/22/599316922.db2.gz LEALGAKSCLTCPG-JXFKEZNVSA-N 1 2 378.480 2.279 20 0 GEADLO C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000736196641 599316931 /nfs/dbraw/zinc/31/69/31/599316931.db2.gz LEALGAKSCLTCPG-OXQOHEQNSA-N 1 2 378.480 2.279 20 0 GEADLO C[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc(-c2nn[nH]n2)c1 ZINC000820366952 599406403 /nfs/dbraw/zinc/40/64/03/599406403.db2.gz QMTDUPZHQVXDNU-ZDUSSCGKSA-N 1 2 380.456 2.002 20 0 GEADLO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccccc1OCC(=O)N(C)C ZINC000820926696 599408988 /nfs/dbraw/zinc/40/89/88/599408988.db2.gz VKYBOBCKIPKFSQ-HNNXBMFYSA-N 1 2 384.440 2.168 20 0 GEADLO CN1CC[NH+](CCOc2ccc(NCc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000821627336 599462689 /nfs/dbraw/zinc/46/26/89/599462689.db2.gz XLMKUPMSARDDQK-UHFFFAOYSA-N 1 2 393.495 2.105 20 0 GEADLO COCCOc1ccccc1CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000821693843 599491020 /nfs/dbraw/zinc/49/10/20/599491020.db2.gz PUJWFACDFVOYEX-UHFFFAOYSA-N 1 2 376.420 2.474 20 0 GEADLO CNc1cc(N2CCC[C@H]2CNc2c(Cl)cccc2-c2nn[nH]n2)nc[nH+]1 ZINC000821637780 599531971 /nfs/dbraw/zinc/53/19/71/599531971.db2.gz TVJXRYYIBPSCTO-NSHDSACASA-N 1 2 385.863 2.433 20 0 GEADLO Cc1cc(N2CCC[C@H](Nc3ccc(Cl)c(-c4nn[nH]n4)n3)C2)nc(C)[nH+]1 ZINC000822206971 599534829 /nfs/dbraw/zinc/53/48/29/599534829.db2.gz GLJVVEQSRDXOJQ-LBPRGKRZSA-N 1 2 385.863 2.403 20 0 GEADLO O=C([C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1)N1CCCC1 ZINC000822917474 599550921 /nfs/dbraw/zinc/55/09/21/599550921.db2.gz VAMVKIOEJUUBPN-AWEZNQCLSA-N 1 2 377.452 2.254 20 0 GEADLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccs1 ZINC000735526660 599561089 /nfs/dbraw/zinc/56/10/89/599561089.db2.gz YRMHUZHCAMFAPA-CQSZACIVSA-N 1 2 382.493 2.376 20 0 GEADLO C[N@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)Cc1ccc2c(c1)OCO2 ZINC000821612481 599561879 /nfs/dbraw/zinc/56/18/79/599561879.db2.gz XENYYHCLKWNQGT-UHFFFAOYSA-N 1 2 391.391 2.277 20 0 GEADLO C[N@@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)Cc1ccc2c(c1)OCO2 ZINC000821612481 599561882 /nfs/dbraw/zinc/56/18/82/599561882.db2.gz XENYYHCLKWNQGT-UHFFFAOYSA-N 1 2 391.391 2.277 20 0 GEADLO C[N@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)[C@@H](CO)c1ccccc1 ZINC000821618284 599571610 /nfs/dbraw/zinc/57/16/10/599571610.db2.gz ZCHCXWSSMAVINC-INIZCTEOSA-N 1 2 377.408 2.082 20 0 GEADLO C[N@@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)[C@@H](CO)c1ccccc1 ZINC000821618284 599571612 /nfs/dbraw/zinc/57/16/12/599571612.db2.gz ZCHCXWSSMAVINC-INIZCTEOSA-N 1 2 377.408 2.082 20 0 GEADLO CC[C@]1(C(C)C)NC(=O)N(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)C1=O ZINC000736398101 599578393 /nfs/dbraw/zinc/57/83/93/599578393.db2.gz XKFUMOPQPWYXCX-HXUWFJFHSA-N 1 2 399.499 2.391 20 0 GEADLO CC[C@]1(C(C)C)NC(=O)N(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)C1=O ZINC000736398101 599578394 /nfs/dbraw/zinc/57/83/94/599578394.db2.gz XKFUMOPQPWYXCX-HXUWFJFHSA-N 1 2 399.499 2.391 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCS[C@H](C(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822541228 599644643 /nfs/dbraw/zinc/64/46/43/599644643.db2.gz LLVGQHLSPICXBD-AAEUAGOBSA-N 1 2 378.502 2.477 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCS[C@H](C(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822541228 599644644 /nfs/dbraw/zinc/64/46/44/599644644.db2.gz LLVGQHLSPICXBD-AAEUAGOBSA-N 1 2 378.502 2.477 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCS[C@H](C(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822541233 599644748 /nfs/dbraw/zinc/64/47/48/599644748.db2.gz LLVGQHLSPICXBD-YPMHNXCESA-N 1 2 378.502 2.477 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@H](C(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822541233 599644749 /nfs/dbraw/zinc/64/47/49/599644749.db2.gz LLVGQHLSPICXBD-YPMHNXCESA-N 1 2 378.502 2.477 20 0 GEADLO Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000738772215 599782043 /nfs/dbraw/zinc/78/20/43/599782043.db2.gz WIYYSZQOJNGYBT-QFIPXVFZSA-N 1 2 395.503 2.491 20 0 GEADLO O=C([O-])c1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000833335727 600798101 /nfs/dbraw/zinc/79/81/01/600798101.db2.gz BBUKSKPETTXKHD-ZFWWWQNUSA-N 1 2 386.477 2.381 20 0 GEADLO O=C([O-])c1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000833335727 600798105 /nfs/dbraw/zinc/79/81/05/600798105.db2.gz BBUKSKPETTXKHD-ZFWWWQNUSA-N 1 2 386.477 2.381 20 0 GEADLO O=C(CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407582 607478350 /nfs/dbraw/zinc/47/83/50/607478350.db2.gz TTWPXNZTZFXSEV-BEFAXECRSA-N 1 2 395.511 2.144 20 0 GEADLO O=C(CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407582 607478351 /nfs/dbraw/zinc/47/83/51/607478351.db2.gz TTWPXNZTZFXSEV-BEFAXECRSA-N 1 2 395.511 2.144 20 0 GEADLO COc1ccc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)cc1-c1nn[nH]n1 ZINC000826195336 607506037 /nfs/dbraw/zinc/50/60/37/607506037.db2.gz PTTHEIZZTIUAQN-OAHLLOKOSA-N 1 2 379.468 2.149 20 0 GEADLO COc1ccc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1-c1nn[nH]n1 ZINC000826195336 607506038 /nfs/dbraw/zinc/50/60/38/607506038.db2.gz PTTHEIZZTIUAQN-OAHLLOKOSA-N 1 2 379.468 2.149 20 0 GEADLO CCC1CCC([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)(C(=O)[O-])CC1 ZINC000829107126 601495477 /nfs/dbraw/zinc/49/54/77/601495477.db2.gz HVSLFAJEZPFBJP-UHFFFAOYSA-N 1 2 388.512 2.134 20 0 GEADLO CCC(CC)(CC(=O)[O-])[NH2+]CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000828796891 601634263 /nfs/dbraw/zinc/63/42/63/601634263.db2.gz QUTBBEQVAFMBPB-UHFFFAOYSA-N 1 2 375.513 2.262 20 0 GEADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000825999328 607527187 /nfs/dbraw/zinc/52/71/87/607527187.db2.gz WWDYNOKREBDEPW-HNNXBMFYSA-N 1 2 391.439 2.160 20 0 GEADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000825999328 607527188 /nfs/dbraw/zinc/52/71/88/607527188.db2.gz WWDYNOKREBDEPW-HNNXBMFYSA-N 1 2 391.439 2.160 20 0 GEADLO O=C([O-])CC1([NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCCC1 ZINC000833204661 601877726 /nfs/dbraw/zinc/87/77/26/601877726.db2.gz DICNHTXFFGQHSO-UHFFFAOYSA-N 1 2 379.526 2.160 20 0 GEADLO CC(C)Oc1ccc(NC(=O)[C@H](C)[NH+]2CCSCC2)cc1-c1nn[nH]n1 ZINC000824323880 607570700 /nfs/dbraw/zinc/57/07/00/607570700.db2.gz CKKWDACYMDLRIR-LBPRGKRZSA-N 1 2 376.486 2.030 20 0 GEADLO CN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000739729718 602668795 /nfs/dbraw/zinc/66/87/95/602668795.db2.gz FYYBHXZUXMBMRI-HNNXBMFYSA-N 1 2 378.448 2.156 20 0 GEADLO CN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000739729718 602668796 /nfs/dbraw/zinc/66/87/96/602668796.db2.gz FYYBHXZUXMBMRI-HNNXBMFYSA-N 1 2 378.448 2.156 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1F)C[NH+]1CCOCC1 ZINC000444067854 649933778 /nfs/dbraw/zinc/93/37/78/649933778.db2.gz DVVQZNKAEGKNAE-NSHDSACASA-N 1 2 384.395 2.091 20 0 GEADLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(NC(=O)[O-])cc3Cl)C2)CC1 ZINC000739727790 603311008 /nfs/dbraw/zinc/31/10/08/603311008.db2.gz KKZRWQWYVMMKFR-ZDUSSCGKSA-N 1 2 380.876 2.328 20 0 GEADLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(NC(=O)[O-])cc3Cl)C2)CC1 ZINC000739727790 603311012 /nfs/dbraw/zinc/31/10/12/603311012.db2.gz KKZRWQWYVMMKFR-ZDUSSCGKSA-N 1 2 380.876 2.328 20 0 GEADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1 ZINC000825444159 607665249 /nfs/dbraw/zinc/66/52/49/607665249.db2.gz JICQGEMLJVAMDD-UHFFFAOYSA-N 1 2 398.370 2.496 20 0 GEADLO COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000833702557 604475663 /nfs/dbraw/zinc/47/56/63/604475663.db2.gz VCLOBRNQTHQKAR-IBGZPJMESA-N 1 2 390.480 2.033 20 0 GEADLO C[C@H](Oc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1)C(=O)[O-] ZINC000833539477 604636332 /nfs/dbraw/zinc/63/63/32/604636332.db2.gz ZJOPLTNGXXBOQV-KRWDZBQOSA-N 1 2 386.496 2.331 20 0 GEADLO C[C@H](Oc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1)C(=O)[O-] ZINC000833539477 604636336 /nfs/dbraw/zinc/63/63/36/604636336.db2.gz ZJOPLTNGXXBOQV-KRWDZBQOSA-N 1 2 386.496 2.331 20 0 GEADLO CC1(C)C[C@H]1C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000824796523 607716950 /nfs/dbraw/zinc/71/69/50/607716950.db2.gz QDZZOCLBNPJQPM-HNNXBMFYSA-N 1 2 377.452 2.110 20 0 GEADLO C[C@@]1([NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCCC[C@H]1C(=O)[O-] ZINC000833574236 605072883 /nfs/dbraw/zinc/07/28/83/605072883.db2.gz ZXBXRISWEYMQSU-QFBILLFUSA-N 1 2 379.526 2.015 20 0 GEADLO Cc1nc(N(C)C)nc(NCc2cnn(-c3ccc(Br)cc3)c2)[nH+]1 ZINC000444868298 649954128 /nfs/dbraw/zinc/95/41/28/649954128.db2.gz BHOVOMXXEDQORU-UHFFFAOYSA-N 1 2 388.273 2.806 20 0 GEADLO C[C@H]1CN(Cc2cccc(C[NH2+]C3CC[NH+](CCCC(=O)[O-])CC3)c2)CCO1 ZINC000833629461 605219568 /nfs/dbraw/zinc/21/95/68/605219568.db2.gz IXRNDKGTMKVHBE-SFHVURJKSA-N 1 2 389.540 2.326 20 0 GEADLO C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1CCC(=O)[O-] ZINC000833618465 605258800 /nfs/dbraw/zinc/25/88/00/605258800.db2.gz OJQXYECXRBBDLH-APWZRJJASA-N 1 2 391.487 2.188 20 0 GEADLO C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@H+]1CCC(=O)[O-] ZINC000833618465 605258801 /nfs/dbraw/zinc/25/88/01/605258801.db2.gz OJQXYECXRBBDLH-APWZRJJASA-N 1 2 391.487 2.188 20 0 GEADLO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1CCC(=O)[O-] ZINC000833618465 605258802 /nfs/dbraw/zinc/25/88/02/605258802.db2.gz OJQXYECXRBBDLH-APWZRJJASA-N 1 2 391.487 2.188 20 0 GEADLO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1CCC(=O)[O-] ZINC000833618465 605258803 /nfs/dbraw/zinc/25/88/03/605258803.db2.gz OJQXYECXRBBDLH-APWZRJJASA-N 1 2 391.487 2.188 20 0 GEADLO C[C@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000833821160 605681165 /nfs/dbraw/zinc/68/11/65/605681165.db2.gz ZBSSOLMHLZNMFI-LPHOPBHVSA-N 1 2 377.485 2.018 20 0 GEADLO C[C@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000833821160 605681168 /nfs/dbraw/zinc/68/11/68/605681168.db2.gz ZBSSOLMHLZNMFI-LPHOPBHVSA-N 1 2 377.485 2.018 20 0 GEADLO O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000834102264 605987339 /nfs/dbraw/zinc/98/73/39/605987339.db2.gz CYABQJJLYWXXIL-DOIPELPJSA-N 1 2 387.524 2.306 20 0 GEADLO O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000834102264 605987342 /nfs/dbraw/zinc/98/73/42/605987342.db2.gz CYABQJJLYWXXIL-DOIPELPJSA-N 1 2 387.524 2.306 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000821595123 606026667 /nfs/dbraw/zinc/02/66/67/606026667.db2.gz NGXYXNKDVUPMHV-SREVYHEPSA-N 1 2 376.411 2.068 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000821595123 606026672 /nfs/dbraw/zinc/02/66/72/606026672.db2.gz NGXYXNKDVUPMHV-SREVYHEPSA-N 1 2 376.411 2.068 20 0 GEADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1O ZINC000821795117 606076580 /nfs/dbraw/zinc/07/65/80/606076580.db2.gz UHEWTHJJDSQXFD-LBPRGKRZSA-N 1 2 382.424 2.040 20 0 GEADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1O ZINC000821795117 606076585 /nfs/dbraw/zinc/07/65/85/606076585.db2.gz UHEWTHJJDSQXFD-LBPRGKRZSA-N 1 2 382.424 2.040 20 0 GEADLO CC1(C)CCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820589694 606130046 /nfs/dbraw/zinc/13/00/46/606130046.db2.gz KWFBWKJESKUXLK-KRWDZBQOSA-N 1 2 383.500 2.273 20 0 GEADLO O=C1CC2(CCCC2)CN1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823520360 606156461 /nfs/dbraw/zinc/15/64/61/606156461.db2.gz LWSMYLDUPCLIQF-UHFFFAOYSA-N 1 2 396.495 2.460 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(-c4nn[nH]n4)cn3C)n2)C1 ZINC000820709462 606281210 /nfs/dbraw/zinc/28/12/10/606281210.db2.gz IZBLUGFREGHDNE-NSHDSACASA-N 1 2 386.485 2.146 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(-c4nn[nH]n4)cn3C)n2)C1 ZINC000820709462 606281212 /nfs/dbraw/zinc/28/12/12/606281212.db2.gz IZBLUGFREGHDNE-NSHDSACASA-N 1 2 386.485 2.146 20 0 GEADLO Cc1nc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cs1 ZINC000822427859 606305768 /nfs/dbraw/zinc/30/57/68/606305768.db2.gz XRIRZSRLSSGCRC-LDYMZIIASA-N 1 2 375.483 2.149 20 0 GEADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000821651866 606318861 /nfs/dbraw/zinc/31/88/61/606318861.db2.gz HPGQAYKHMZJVMQ-ZWKOTPCHSA-N 1 2 378.436 2.267 20 0 GEADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000821651866 606318863 /nfs/dbraw/zinc/31/88/63/606318863.db2.gz HPGQAYKHMZJVMQ-ZWKOTPCHSA-N 1 2 378.436 2.267 20 0 GEADLO O=S(=O)(c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CCc2c[nH+]ccc21 ZINC000823594424 606473235 /nfs/dbraw/zinc/47/32/35/606473235.db2.gz JBRCZGKIKNRRRI-UHFFFAOYSA-N 1 2 396.354 2.032 20 0 GEADLO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1C(F)(F)F)N1CCc2c[nH+]ccc21 ZINC000823600915 606473373 /nfs/dbraw/zinc/47/33/73/606473373.db2.gz MELPKFGYOVOWRX-UHFFFAOYSA-N 1 2 396.354 2.032 20 0 GEADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(-c2nn[nH]n2)s1 ZINC000823373419 606532086 /nfs/dbraw/zinc/53/20/86/606532086.db2.gz ZDUKLDPLHBKNDO-UHFFFAOYSA-N 1 2 381.421 2.456 20 0 GEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000821589344 606574025 /nfs/dbraw/zinc/57/40/25/606574025.db2.gz KCHNODFFZCKMJV-UHFFFAOYSA-N 1 2 397.508 2.393 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000819864940 606622992 /nfs/dbraw/zinc/62/29/92/606622992.db2.gz AFWPAWKZLPLVEA-CFJPQMKISA-N 1 2 398.492 2.063 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000819864940 606622994 /nfs/dbraw/zinc/62/29/94/606622994.db2.gz AFWPAWKZLPLVEA-CFJPQMKISA-N 1 2 398.492 2.063 20 0 GEADLO O=C1[C@@H]2CCCCC[C@@H]2N1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823520898 606632362 /nfs/dbraw/zinc/63/23/62/606632362.db2.gz OVSBDRLUBVLFGC-MOPGFXCFSA-N 1 2 396.495 2.459 20 0 GEADLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000819922743 606795920 /nfs/dbraw/zinc/79/59/20/606795920.db2.gz ODDWWSXAPNDCDK-GFCCVEGCSA-N 1 2 392.485 2.063 20 0 GEADLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000819922743 606795923 /nfs/dbraw/zinc/79/59/23/606795923.db2.gz ODDWWSXAPNDCDK-GFCCVEGCSA-N 1 2 392.485 2.063 20 0 GEADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000823673732 606915782 /nfs/dbraw/zinc/91/57/82/606915782.db2.gz MZGDNZZWFDYBOA-HKUYNNGSSA-N 1 2 383.427 2.330 20 0 GEADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000823673732 606915784 /nfs/dbraw/zinc/91/57/84/606915784.db2.gz MZGDNZZWFDYBOA-HKUYNNGSSA-N 1 2 383.427 2.330 20 0 GEADLO CSc1ccccc1NC(=O)C[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821983269 606919633 /nfs/dbraw/zinc/91/96/33/606919633.db2.gz FOKNSZCAVGWRJN-MRXNPFEDSA-N 1 2 398.492 2.193 20 0 GEADLO CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821983269 606919635 /nfs/dbraw/zinc/91/96/35/606919635.db2.gz FOKNSZCAVGWRJN-MRXNPFEDSA-N 1 2 398.492 2.193 20 0 GEADLO CCc1nnc(Nc2cccc(C[NH+]3CCOCC3)c2)c(-c2nn[nH]n2)c1CC ZINC000821548115 606925891 /nfs/dbraw/zinc/92/58/91/606925891.db2.gz IIHBYJGVIPBROW-UHFFFAOYSA-N 1 2 394.483 2.357 20 0 GEADLO CCc1nnc(N2CCc3c([nH+]c(C(C)C)n3C)C2)c(-c2nn[nH]n2)c1CC ZINC000821527095 606933874 /nfs/dbraw/zinc/93/38/74/606933874.db2.gz BWSVEEBYNKNAFC-UHFFFAOYSA-N 1 2 381.488 2.201 20 0 GEADLO CCc1nc(CN2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)cs1 ZINC000821509645 606966248 /nfs/dbraw/zinc/96/62/48/606966248.db2.gz KCECXICKQGVJJC-UHFFFAOYSA-N 1 2 387.488 2.343 20 0 GEADLO O=C(C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)Nc1sccc1-c1nn[nH]n1 ZINC000822996805 606985502 /nfs/dbraw/zinc/98/55/02/606985502.db2.gz JJXREOXLYCGTNH-WCQYABFASA-N 1 2 388.453 2.048 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)Nc1sccc1-c1nn[nH]n1 ZINC000822996805 606985504 /nfs/dbraw/zinc/98/55/04/606985504.db2.gz JJXREOXLYCGTNH-WCQYABFASA-N 1 2 388.453 2.048 20 0 GEADLO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000819992028 607020890 /nfs/dbraw/zinc/02/08/90/607020890.db2.gz OUZHXPNIBJDHIL-CQSZACIVSA-N 1 2 381.440 2.153 20 0 GEADLO COc1cccc2c(N(C)CCCc3[nH]nc(N)c3-c3nn[nH]n3)cc(C)[nH+]c12 ZINC000821877425 607025019 /nfs/dbraw/zinc/02/50/19/607025019.db2.gz JOZXCHAAYKUHNG-UHFFFAOYSA-N 1 2 393.455 2.106 20 0 GEADLO Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000822743889 607068848 /nfs/dbraw/zinc/06/88/48/607068848.db2.gz HXNBPWCHBMKWIH-UHFFFAOYSA-N 1 2 396.455 2.333 20 0 GEADLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820340777 607093307 /nfs/dbraw/zinc/09/33/07/607093307.db2.gz NGDRCNIMFKYVFW-GRDNDAEWSA-N 1 2 380.456 2.417 20 0 GEADLO OCCC[N@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)Cc1ccccc1 ZINC000823722188 607147359 /nfs/dbraw/zinc/14/73/59/607147359.db2.gz NBIYEUIVKRVRIV-UHFFFAOYSA-N 1 2 391.435 2.301 20 0 GEADLO OCCC[N@@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)Cc1ccccc1 ZINC000823722188 607147360 /nfs/dbraw/zinc/14/73/60/607147360.db2.gz NBIYEUIVKRVRIV-UHFFFAOYSA-N 1 2 391.435 2.301 20 0 GEADLO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)CCOC(C)(C)C ZINC000819876003 607147625 /nfs/dbraw/zinc/14/76/25/607147625.db2.gz CZEUATCAYOLHCF-LLVKDONJSA-N 1 2 392.529 2.491 20 0 GEADLO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+](C)CCOC(C)(C)C ZINC000819876003 607147627 /nfs/dbraw/zinc/14/76/27/607147627.db2.gz CZEUATCAYOLHCF-LLVKDONJSA-N 1 2 392.529 2.491 20 0 GEADLO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000826319633 607775310 /nfs/dbraw/zinc/77/53/10/607775310.db2.gz LFHUPXOPKNIZTP-UHFFFAOYSA-N 1 2 382.334 2.286 20 0 GEADLO C[C@H]1C[N@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)Cc2ccccc21 ZINC000824985354 607826932 /nfs/dbraw/zinc/82/69/32/607826932.db2.gz VVJABRBJBOFUAE-AWEZNQCLSA-N 1 2 383.477 2.260 20 0 GEADLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)Cc2ccccc21 ZINC000824985354 607826933 /nfs/dbraw/zinc/82/69/33/607826933.db2.gz VVJABRBJBOFUAE-AWEZNQCLSA-N 1 2 383.477 2.260 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCS[C@@H]2CCCC[C@H]21)c1cccc(-c2nn[nH]n2)c1 ZINC000826484536 607829507 /nfs/dbraw/zinc/82/95/07/607829507.db2.gz HCEQXYKQNKVOLU-HZPDHXFCSA-N 1 2 393.538 2.000 20 0 GEADLO O=S(=O)(CC[N@H+]1CCS[C@@H]2CCCC[C@H]21)c1cccc(-c2nn[nH]n2)c1 ZINC000826484536 607829508 /nfs/dbraw/zinc/82/95/08/607829508.db2.gz HCEQXYKQNKVOLU-HZPDHXFCSA-N 1 2 393.538 2.000 20 0 GEADLO CC[N@H+](CCc1nccs1)CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825428831 607830607 /nfs/dbraw/zinc/83/06/07/607830607.db2.gz UCLJSYGAWJNDBP-UHFFFAOYSA-N 1 2 375.458 2.036 20 0 GEADLO CC[N@@H+](CCc1nccs1)CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825428831 607830608 /nfs/dbraw/zinc/83/06/08/607830608.db2.gz UCLJSYGAWJNDBP-UHFFFAOYSA-N 1 2 375.458 2.036 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826029206 607849493 /nfs/dbraw/zinc/84/94/93/607849493.db2.gz QPGNKDPNYPHXMQ-DZGCQCFKSA-N 1 2 389.822 2.163 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826029206 607849494 /nfs/dbraw/zinc/84/94/94/607849494.db2.gz QPGNKDPNYPHXMQ-DZGCQCFKSA-N 1 2 389.822 2.163 20 0 GEADLO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826010727 607853797 /nfs/dbraw/zinc/85/37/97/607853797.db2.gz PMMXQQMGZZZYMS-CZUORRHYSA-N 1 2 390.806 2.314 20 0 GEADLO O=C(Nc1cc(-c2nn[nH]n2)ccc1O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000826450859 607999029 /nfs/dbraw/zinc/99/90/29/607999029.db2.gz GYTZFVXYAWYBOU-INIZCTEOSA-N 1 2 382.399 2.315 20 0 GEADLO O=C(Nc1cc(-c2nn[nH]n2)ccc1O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000826450859 607999030 /nfs/dbraw/zinc/99/90/30/607999030.db2.gz GYTZFVXYAWYBOU-INIZCTEOSA-N 1 2 382.399 2.315 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@@H]2C[N@H+](Cc3cccc4c3OCCO4)CCO2)c1 ZINC000826513244 608068473 /nfs/dbraw/zinc/06/84/73/608068473.db2.gz FPGUCKPPZFAUSM-SFHVURJKSA-N 1 2 379.420 2.211 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)CCO2)c1 ZINC000826513244 608068474 /nfs/dbraw/zinc/06/84/74/608068474.db2.gz FPGUCKPPZFAUSM-SFHVURJKSA-N 1 2 379.420 2.211 20 0 GEADLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000824005310 608069551 /nfs/dbraw/zinc/06/95/51/608069551.db2.gz NKZLMMDEHMURLW-IBGZPJMESA-N 1 2 378.436 2.399 20 0 GEADLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000824005310 608069552 /nfs/dbraw/zinc/06/95/52/608069552.db2.gz NKZLMMDEHMURLW-IBGZPJMESA-N 1 2 378.436 2.399 20 0 GEADLO Cc1nc2ccccn2c1C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826328955 608069760 /nfs/dbraw/zinc/06/97/60/608069760.db2.gz KRFGHRGESPAXBV-GOSISDBHSA-N 1 2 375.436 2.396 20 0 GEADLO Cc1nc2ccccn2c1C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826328955 608069761 /nfs/dbraw/zinc/06/97/61/608069761.db2.gz KRFGHRGESPAXBV-GOSISDBHSA-N 1 2 375.436 2.396 20 0 GEADLO c1ccc2c(c1)OC[C@@H](C[N@@H+]1CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C1)O2 ZINC000826513885 608071139 /nfs/dbraw/zinc/07/11/39/608071139.db2.gz ZGCVDMKASFTOTA-APWZRJJASA-N 1 2 379.420 2.080 20 0 GEADLO c1ccc2c(c1)OC[C@@H](C[N@H+]1CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C1)O2 ZINC000826513885 608071140 /nfs/dbraw/zinc/07/11/40/608071140.db2.gz ZGCVDMKASFTOTA-APWZRJJASA-N 1 2 379.420 2.080 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ccc(-c3nn[nH]n3)cn2)c2ccc(Cl)cc2)C1 ZINC000826044609 608235327 /nfs/dbraw/zinc/23/53/27/608235327.db2.gz IGBPZXGPAILDTM-NVXWUHKLSA-N 1 2 385.859 2.399 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@H](Nc2ccc(-c3nn[nH]n3)cn2)c2ccc(Cl)cc2)C1 ZINC000826044609 608235328 /nfs/dbraw/zinc/23/53/28/608235328.db2.gz IGBPZXGPAILDTM-NVXWUHKLSA-N 1 2 385.859 2.399 20 0 GEADLO c1cc(OCC[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517555 608256631 /nfs/dbraw/zinc/25/66/31/608256631.db2.gz HUJBEPDWQAMRFE-OAHLLOKOSA-N 1 2 380.456 2.121 20 0 GEADLO c1cc(OCC[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517555 608256632 /nfs/dbraw/zinc/25/66/32/608256632.db2.gz HUJBEPDWQAMRFE-OAHLLOKOSA-N 1 2 380.456 2.121 20 0 GEADLO OCC1CCN(c2[nH+]cccc2NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826509499 608309687 /nfs/dbraw/zinc/30/96/87/608309687.db2.gz XJOPQKFFWZEZAB-UHFFFAOYSA-N 1 2 383.431 2.222 20 0 GEADLO O=C1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CN1c1ccc(Cl)c(F)c1 ZINC000826479098 608310776 /nfs/dbraw/zinc/31/07/76/608310776.db2.gz QGWOSHAYSZDKIP-SECBINFHSA-N 1 2 376.779 2.147 20 0 GEADLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1-c1nn[nH]n1 ZINC000826332333 608317197 /nfs/dbraw/zinc/31/71/97/608317197.db2.gz QMHYYCDDWPFPOL-RDJZCZTQSA-N 1 2 397.508 2.067 20 0 GEADLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1-c1nn[nH]n1 ZINC000826332333 608317199 /nfs/dbraw/zinc/31/71/99/608317199.db2.gz QMHYYCDDWPFPOL-RDJZCZTQSA-N 1 2 397.508 2.067 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000826169722 608368817 /nfs/dbraw/zinc/36/88/17/608368817.db2.gz BVNIADFBSFGVJV-OALUTQOASA-N 1 2 395.463 2.200 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000826169722 608368819 /nfs/dbraw/zinc/36/88/19/608368819.db2.gz BVNIADFBSFGVJV-OALUTQOASA-N 1 2 395.463 2.200 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000826167704 608373600 /nfs/dbraw/zinc/37/36/00/608373600.db2.gz NYHPPHIBQOXPIC-UHFFFAOYSA-N 1 2 381.362 2.260 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000826167704 608373602 /nfs/dbraw/zinc/37/36/02/608373602.db2.gz NYHPPHIBQOXPIC-UHFFFAOYSA-N 1 2 381.362 2.260 20 0 GEADLO Fc1c(C[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)cccc1-c1nn[nH]n1 ZINC000826371187 608419266 /nfs/dbraw/zinc/41/92/66/608419266.db2.gz WDZKYGRWTOANJB-UHFFFAOYSA-N 1 2 392.442 2.200 20 0 GEADLO C[C@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc(-c2nn[nH]n2)c1 ZINC000824625416 608492309 /nfs/dbraw/zinc/49/23/09/608492309.db2.gz HOBTWGGBTZHRAE-NSHDSACASA-N 1 2 391.391 2.496 20 0 GEADLO Clc1ccccc1N1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826353658 608496724 /nfs/dbraw/zinc/49/67/24/608496724.db2.gz YUBFZXGNKLCMQH-UHFFFAOYSA-N 1 2 394.870 2.490 20 0 GEADLO CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823999658 608501332 /nfs/dbraw/zinc/50/13/32/608501332.db2.gz GCSPYQNEEITRCU-UHFFFAOYSA-N 1 2 391.479 2.143 20 0 GEADLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)s1 ZINC000824142557 608508763 /nfs/dbraw/zinc/50/87/63/608508763.db2.gz WLRHBKKRTCZDRK-UHFFFAOYSA-N 1 2 384.513 2.338 20 0 GEADLO Clc1ccccc1OCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826353697 608510751 /nfs/dbraw/zinc/51/07/51/608510751.db2.gz ANRGJZRWOSWLSF-UHFFFAOYSA-N 1 2 388.859 2.310 20 0 GEADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826432121 608575652 /nfs/dbraw/zinc/57/56/52/608575652.db2.gz SJYHOLWJFKHZAR-UHFFFAOYSA-N 1 2 383.843 2.314 20 0 GEADLO OCC[N@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1cc(Br)ccc1F ZINC000826509696 608662058 /nfs/dbraw/zinc/66/20/58/608662058.db2.gz FUZUBEAVWOBXNB-UHFFFAOYSA-N 1 2 396.220 2.356 20 0 GEADLO OCC[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1cc(Br)ccc1F ZINC000826509696 608662062 /nfs/dbraw/zinc/66/20/62/608662062.db2.gz FUZUBEAVWOBXNB-UHFFFAOYSA-N 1 2 396.220 2.356 20 0 GEADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000826190174 608710869 /nfs/dbraw/zinc/71/08/69/608710869.db2.gz RZRPXFBCYWTRPX-HNNXBMFYSA-N 1 2 382.424 2.380 20 0 GEADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000826190174 608710870 /nfs/dbraw/zinc/71/08/70/608710870.db2.gz RZRPXFBCYWTRPX-HNNXBMFYSA-N 1 2 382.424 2.380 20 0 GEADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824772055 608798381 /nfs/dbraw/zinc/79/83/81/608798381.db2.gz SUQRQOWCGDUCLH-YWZLYKJASA-N 1 2 396.470 2.418 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000825000883 608839486 /nfs/dbraw/zinc/83/94/86/608839486.db2.gz VSSHXOUNDGKTSO-GFCCVEGCSA-N 1 2 399.528 2.121 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000825000883 608839490 /nfs/dbraw/zinc/83/94/90/608839490.db2.gz VSSHXOUNDGKTSO-GFCCVEGCSA-N 1 2 399.528 2.121 20 0 GEADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825005671 608843045 /nfs/dbraw/zinc/84/30/45/608843045.db2.gz BPZFGAIZNYPFLX-FOIQADDNSA-N 1 2 395.463 2.027 20 0 GEADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825005671 608843047 /nfs/dbraw/zinc/84/30/47/608843047.db2.gz BPZFGAIZNYPFLX-FOIQADDNSA-N 1 2 395.463 2.027 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826443202 609287122 /nfs/dbraw/zinc/28/71/22/609287122.db2.gz FURJQTIPBLDBMK-UHFFFAOYSA-N 1 2 383.843 2.445 20 0 GEADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(-c2nn[nH]n2)cc1Br ZINC000826033937 609346571 /nfs/dbraw/zinc/34/65/71/609346571.db2.gz LIVMOYYAMIFBLH-CYBMUJFWSA-N 1 2 380.246 2.157 20 0 GEADLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(-c2nn[nH]n2)cc1Br ZINC000826033937 609346573 /nfs/dbraw/zinc/34/65/73/609346573.db2.gz LIVMOYYAMIFBLH-CYBMUJFWSA-N 1 2 380.246 2.157 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826439694 609382258 /nfs/dbraw/zinc/38/22/58/609382258.db2.gz GDJVMKAUTWYMHE-UHFFFAOYSA-N 1 2 375.392 2.355 20 0 GEADLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000826305704 609427306 /nfs/dbraw/zinc/42/73/06/609427306.db2.gz GMQAQLYONJUXPB-MRXNPFEDSA-N 1 2 377.408 2.048 20 0 GEADLO OCC[C@@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccccc1Br ZINC000826508835 609432168 /nfs/dbraw/zinc/43/21/68/609432168.db2.gz CUYUCOWVLRKKLZ-CQSZACIVSA-N 1 2 389.257 2.238 20 0 GEADLO Cc1ccnc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826312440 609527868 /nfs/dbraw/zinc/52/78/68/609527868.db2.gz DQJFZXIVDRQJPX-UHFFFAOYSA-N 1 2 392.467 2.085 20 0 GEADLO Cc1ccnc(NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1-c1nn[nH]n1 ZINC000826313811 609531753 /nfs/dbraw/zinc/53/17/53/609531753.db2.gz URPRWTGCTDKTLD-SFHVURJKSA-N 1 2 392.511 2.361 20 0 GEADLO Cc1ccnc(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1-c1nn[nH]n1 ZINC000826313811 609531755 /nfs/dbraw/zinc/53/17/55/609531755.db2.gz URPRWTGCTDKTLD-SFHVURJKSA-N 1 2 392.511 2.361 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCN(c2ncc(Cl)c(C)c2-c2nn[nH]n2)CC1 ZINC000826338879 609533324 /nfs/dbraw/zinc/53/33/24/609533324.db2.gz KRVCZVMYAHKXJI-UHFFFAOYSA-N 1 2 388.863 2.151 20 0 GEADLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826290145 609611352 /nfs/dbraw/zinc/61/13/52/609611352.db2.gz CMHHIOVSVRDFJB-INIZCTEOSA-N 1 2 391.479 2.324 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000447397194 650006215 /nfs/dbraw/zinc/00/62/15/650006215.db2.gz ZDEWOPVQEZJVPJ-JSGCOSHPSA-N 1 2 398.301 2.171 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000447397194 650006216 /nfs/dbraw/zinc/00/62/16/650006216.db2.gz ZDEWOPVQEZJVPJ-JSGCOSHPSA-N 1 2 398.301 2.171 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000448480831 650016066 /nfs/dbraw/zinc/01/60/66/650016066.db2.gz FBHLMFRNYIAFCW-SECBINFHSA-N 1 2 385.649 2.442 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)c(C)cc2C)CC1 ZINC000448684910 650019260 /nfs/dbraw/zinc/01/92/60/650019260.db2.gz QZMSLRCJUGUHEY-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)c(C)cc2C)CC1 ZINC000448684910 650019262 /nfs/dbraw/zinc/01/92/62/650019262.db2.gz QZMSLRCJUGUHEY-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1-n1cc(Br)cn1 ZINC000448707312 650019954 /nfs/dbraw/zinc/01/99/54/650019954.db2.gz JSIPHNWLAQZHPZ-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@@H](C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449335529 650038716 /nfs/dbraw/zinc/03/87/16/650038716.db2.gz JHBSWLWRYNOORS-DOTOQJQBSA-N 1 2 387.567 2.483 20 0 GEADLO C[C@@H](C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449335529 650038722 /nfs/dbraw/zinc/03/87/22/650038722.db2.gz JHBSWLWRYNOORS-DOTOQJQBSA-N 1 2 387.567 2.483 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c(Br)c1 ZINC000449745469 650048475 /nfs/dbraw/zinc/04/84/75/650048475.db2.gz NFBVTCRZNZCHCY-AWEZNQCLSA-N 1 2 398.301 2.471 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c(Br)c1 ZINC000449745469 650048477 /nfs/dbraw/zinc/04/84/77/650048477.db2.gz NFBVTCRZNZCHCY-AWEZNQCLSA-N 1 2 398.301 2.471 20 0 GEADLO CCS(=O)(=O)c1ccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1 ZINC000450681389 650069295 /nfs/dbraw/zinc/06/92/95/650069295.db2.gz MKEICTNYUFFLBZ-GOSISDBHSA-N 1 2 381.519 2.356 20 0 GEADLO Cn1cc(I)c(CNc2cc(N3CCCC3)nc[nH+]2)n1 ZINC000450848742 650072665 /nfs/dbraw/zinc/07/26/65/650072665.db2.gz VCWITHHZVVHLQH-UHFFFAOYSA-N 1 2 384.225 2.027 20 0 GEADLO Cn1cc(I)c(CNc2cc(N3CCCC3)[nH+]cn2)n1 ZINC000450848742 650072667 /nfs/dbraw/zinc/07/26/67/650072667.db2.gz VCWITHHZVVHLQH-UHFFFAOYSA-N 1 2 384.225 2.027 20 0 GEADLO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCCNc2cccc[nH+]2)c1 ZINC000451323845 650103862 /nfs/dbraw/zinc/10/38/62/650103862.db2.gz WQAIKJDEFQLMCU-UHFFFAOYSA-N 1 2 383.857 2.220 20 0 GEADLO O=C1[C@H]([N@@H+]2CC[C@@](O)(C(F)F)C2)CCN1c1cccc(Br)c1 ZINC000451436425 650114074 /nfs/dbraw/zinc/11/40/74/650114074.db2.gz RVUJHWYVTSNXFH-DOMZBBRYSA-N 1 2 375.213 2.256 20 0 GEADLO O=C1[C@H]([N@H+]2CC[C@@](O)(C(F)F)C2)CCN1c1cccc(Br)c1 ZINC000451436425 650114078 /nfs/dbraw/zinc/11/40/78/650114078.db2.gz RVUJHWYVTSNXFH-DOMZBBRYSA-N 1 2 375.213 2.256 20 0 GEADLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)c1 ZINC000451651052 650128893 /nfs/dbraw/zinc/12/88/93/650128893.db2.gz LZYGMHZBRRUQCH-GJZGRUSLSA-N 1 2 375.918 2.287 20 0 GEADLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)c1 ZINC000451651052 650128897 /nfs/dbraw/zinc/12/88/97/650128897.db2.gz LZYGMHZBRRUQCH-GJZGRUSLSA-N 1 2 375.918 2.287 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451893339 650150493 /nfs/dbraw/zinc/15/04/93/650150493.db2.gz SITWVELWLBTVIJ-BETUJISGSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451893339 650150497 /nfs/dbraw/zinc/15/04/97/650150497.db2.gz SITWVELWLBTVIJ-BETUJISGSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1nn(C)cc1Br ZINC000452766732 650197158 /nfs/dbraw/zinc/19/71/58/650197158.db2.gz OPJSUAATEDSIKZ-UHFFFAOYSA-N 1 2 398.211 2.435 20 0 GEADLO CSCC1CCC(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000454373261 650264899 /nfs/dbraw/zinc/26/48/99/650264899.db2.gz QUMNIQLVUIAUND-LEOMRAHMSA-N 1 2 387.615 2.415 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000454663246 650275065 /nfs/dbraw/zinc/27/50/65/650275065.db2.gz UPLFMISYONTJLV-PYLYLYNFSA-N 1 2 382.302 2.482 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000454663246 650275070 /nfs/dbraw/zinc/27/50/70/650275070.db2.gz UPLFMISYONTJLV-PYLYLYNFSA-N 1 2 382.302 2.482 20 0 GEADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(I)cn1 ZINC000455985151 650327655 /nfs/dbraw/zinc/32/76/55/650327655.db2.gz CSSKBYHXIXZTJJ-LBPRGKRZSA-N 1 2 394.216 2.090 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1(c2ccccc2Br)CC1 ZINC000456201207 650333456 /nfs/dbraw/zinc/33/34/56/650333456.db2.gz IWFKYTYBNLQRCW-OKILXGFUSA-N 1 2 379.298 2.460 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1(c2ccccc2Br)CC1 ZINC000456201207 650333459 /nfs/dbraw/zinc/33/34/59/650333459.db2.gz IWFKYTYBNLQRCW-OKILXGFUSA-N 1 2 379.298 2.460 20 0 GEADLO Cc1ccc(C[C@H](CO)CNC(=O)CCc2[nH]cc[nH+]2)cc1Br ZINC000456509130 650345022 /nfs/dbraw/zinc/34/50/22/650345022.db2.gz XONPDRACFDCCCI-AWEZNQCLSA-N 1 2 380.286 2.381 20 0 GEADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000456907683 650366681 /nfs/dbraw/zinc/36/66/81/650366681.db2.gz WIMFWFWNPKLHQN-UHFFFAOYSA-N 1 2 398.349 2.196 20 0 GEADLO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)NCCn1cc[nH+]c1 ZINC000457477411 650379640 /nfs/dbraw/zinc/37/96/40/650379640.db2.gz XSAPJFRHARFCKV-AWEZNQCLSA-N 1 2 395.301 2.104 20 0 GEADLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Br)co2)nc[nH+]1 ZINC000457636778 650382061 /nfs/dbraw/zinc/38/20/61/650382061.db2.gz ZTKIDEKWRZIOTF-NSHDSACASA-N 1 2 380.246 2.273 20 0 GEADLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Br)co2)[nH+]cn1 ZINC000457636778 650382064 /nfs/dbraw/zinc/38/20/64/650382064.db2.gz ZTKIDEKWRZIOTF-NSHDSACASA-N 1 2 380.246 2.273 20 0 GEADLO CC(=O)N[C@@H](CC(=O)NCCc1cn(C)c[nH+]1)c1ccc(Br)cc1 ZINC000457894413 650388693 /nfs/dbraw/zinc/38/86/93/650388693.db2.gz ZUAKPWTWNGJXAG-INIZCTEOSA-N 1 2 393.285 2.109 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)CSc2nncn2-c2cccc(Cl)c2)c1 ZINC000457892283 650388752 /nfs/dbraw/zinc/38/87/52/650388752.db2.gz XPWTUEIRIRORIW-UHFFFAOYSA-N 1 2 376.873 2.105 20 0 GEADLO CC[C@@H](c1nnc(SCC(F)(F)F)n1CCN1CCOCC1)[NH+](C)C ZINC000501428663 650391784 /nfs/dbraw/zinc/39/17/84/650391784.db2.gz YMTWHYGXECYGML-LBPRGKRZSA-N 1 2 381.468 2.277 20 0 GEADLO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nnc(S(C)(=O)=O)s1 ZINC000503200972 650415662 /nfs/dbraw/zinc/41/56/62/650415662.db2.gz XKBUEKIJAMYDGS-RNCFNFMXSA-N 1 2 375.903 2.461 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCc1cccc(Br)c1 ZINC000459148115 650419656 /nfs/dbraw/zinc/41/96/56/650419656.db2.gz KNWRISSMNKHGAN-WMLDXEAASA-N 1 2 396.329 2.496 20 0 GEADLO O=C(NCCc1cccc(Br)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000459159129 650419875 /nfs/dbraw/zinc/41/98/75/650419875.db2.gz ZRABVBXNSOGTPR-QGZVFWFLSA-N 1 2 396.329 2.498 20 0 GEADLO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cccc(O)c1Br ZINC000459326473 650422758 /nfs/dbraw/zinc/42/27/58/650422758.db2.gz MUDCFICOEZVOBG-CQSZACIVSA-N 1 2 376.291 2.389 20 0 GEADLO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cccc(O)c1Br ZINC000459326473 650422761 /nfs/dbraw/zinc/42/27/61/650422761.db2.gz MUDCFICOEZVOBG-CQSZACIVSA-N 1 2 376.291 2.389 20 0 GEADLO Cc1c(Br)cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1Br ZINC000459714146 650430831 /nfs/dbraw/zinc/43/08/31/650430831.db2.gz TVEPIAUPDFNLMN-GWCFXTLKSA-N 1 2 379.092 2.305 20 0 GEADLO Cc1c(Br)cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)cc1Br ZINC000459714146 650430835 /nfs/dbraw/zinc/43/08/35/650430835.db2.gz TVEPIAUPDFNLMN-GWCFXTLKSA-N 1 2 379.092 2.305 20 0 GEADLO COCCNC(=O)C1([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000459749755 650432266 /nfs/dbraw/zinc/43/22/66/650432266.db2.gz HDWZPSJIHAVVHK-UHFFFAOYSA-N 1 2 393.285 2.224 20 0 GEADLO C[C@@H]([NH2+]CC(=O)Nc1cccc(I)c1)c1ccn(C)n1 ZINC000459768735 650432453 /nfs/dbraw/zinc/43/24/53/650432453.db2.gz ADQRDYBTEFTSLL-SNVBAGLBSA-N 1 2 384.221 2.314 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000460136154 650439683 /nfs/dbraw/zinc/43/96/83/650439683.db2.gz UHNQZJSGCYVIDK-LLVKDONJSA-N 1 2 390.245 2.437 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2sc(C(F)(F)F)nc2C)[C@H](C)C1 ZINC000462586205 650485630 /nfs/dbraw/zinc/48/56/30/650485630.db2.gz AGAIKISPPYDFMV-SECBINFHSA-N 1 2 379.404 2.180 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2sc(C(F)(F)F)nc2C)[C@H](C)C1 ZINC000462586205 650485633 /nfs/dbraw/zinc/48/56/33/650485633.db2.gz AGAIKISPPYDFMV-SECBINFHSA-N 1 2 379.404 2.180 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1[nH]nc2ccc(I)cc21 ZINC000463381709 650494672 /nfs/dbraw/zinc/49/46/72/650494672.db2.gz NZABHADPLDSZLC-VIFPVBQESA-N 1 2 395.204 2.183 20 0 GEADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000466933135 650499709 /nfs/dbraw/zinc/49/97/09/650499709.db2.gz NWEVPZLLDGCYMV-BZUAXINKSA-N 1 2 384.567 2.384 20 0 GEADLO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000466933135 650499712 /nfs/dbraw/zinc/49/97/12/650499712.db2.gz NWEVPZLLDGCYMV-BZUAXINKSA-N 1 2 384.567 2.384 20 0 GEADLO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000466933134 650499777 /nfs/dbraw/zinc/49/97/77/650499777.db2.gz NWEVPZLLDGCYMV-ARFHVFGLSA-N 1 2 384.567 2.384 20 0 GEADLO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000466933134 650499779 /nfs/dbraw/zinc/49/97/79/650499779.db2.gz NWEVPZLLDGCYMV-ARFHVFGLSA-N 1 2 384.567 2.384 20 0 GEADLO C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C1(S(C)(=O)=O)CC1 ZINC000510262352 650509584 /nfs/dbraw/zinc/50/95/84/650509584.db2.gz SVPJYICJTBYPAK-IUODEOHRSA-N 1 2 387.933 2.208 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H](O)C[C@H]3C)[nH+]c12 ZINC000472054143 650519070 /nfs/dbraw/zinc/51/90/70/650519070.db2.gz SNALMZKNTVJDLW-BXUZGUMPSA-N 1 2 381.274 2.112 20 0 GEADLO CNC(=O)Cc1nc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cs1 ZINC000511567717 650538893 /nfs/dbraw/zinc/53/88/93/650538893.db2.gz QQTWGVKVALKRBN-INIZCTEOSA-N 1 2 398.326 2.191 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000476581661 650554527 /nfs/dbraw/zinc/55/45/27/650554527.db2.gz OBFOIBQFIORIAK-OAHLLOKOSA-N 1 2 382.551 2.347 20 0 GEADLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000476581661 650554528 /nfs/dbraw/zinc/55/45/28/650554528.db2.gz OBFOIBQFIORIAK-OAHLLOKOSA-N 1 2 382.551 2.347 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cc(C)ccc2I)CC1 ZINC000513026926 650556741 /nfs/dbraw/zinc/55/67/41/650556741.db2.gz UONDOXWNRQEZAF-UHFFFAOYSA-N 1 2 388.249 2.004 20 0 GEADLO NC(=O)[C@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1cccc(Br)c1 ZINC000513352179 650561783 /nfs/dbraw/zinc/56/17/83/650561783.db2.gz ZQUKPVGIYUSNQR-MRXNPFEDSA-N 1 2 390.237 2.096 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000513591295 650565404 /nfs/dbraw/zinc/56/54/04/650565404.db2.gz DZEAYBDEIMHKQF-HNNXBMFYSA-N 1 2 394.273 2.294 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)COCc3nnc(C)s3)CC2)s1 ZINC000513380739 650562465 /nfs/dbraw/zinc/56/24/65/650562465.db2.gz LQWWVQBKRWLHOQ-UHFFFAOYSA-N 1 2 380.539 2.331 20 0 GEADLO CSC[C@H]1CCCN1C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000514953765 650584432 /nfs/dbraw/zinc/58/44/32/650584432.db2.gz USSXWVZWJMWKGG-CZUORRHYSA-N 1 2 383.945 2.413 20 0 GEADLO Cc1ncc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c(Cl)c1Cl ZINC000478977748 650593255 /nfs/dbraw/zinc/59/32/55/650593255.db2.gz BTQFXZUPHOJBMH-CYBMUJFWSA-N 1 2 388.295 2.260 20 0 GEADLO CCOC(=O)COCC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000516515099 650597741 /nfs/dbraw/zinc/59/77/41/650597741.db2.gz MVLPZCIPNISUSF-UHFFFAOYSA-N 1 2 389.279 2.331 20 0 GEADLO C[C@@H](NC(=O)COc1ccc(F)cc1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000520527054 650615016 /nfs/dbraw/zinc/61/50/16/650615016.db2.gz SJMHCQLXJKLHJM-VXGBXAGGSA-N 1 2 389.265 2.192 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000520611932 650615492 /nfs/dbraw/zinc/61/54/92/650615492.db2.gz WAXRQQKKDAYTJN-VHSXEESVSA-N 1 2 395.294 2.310 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000520611932 650615494 /nfs/dbraw/zinc/61/54/94/650615494.db2.gz WAXRQQKKDAYTJN-VHSXEESVSA-N 1 2 395.294 2.310 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c(Br)c1 ZINC000480873253 650635832 /nfs/dbraw/zinc/63/58/32/650635832.db2.gz CACAJIYZLSRVMK-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(Br)c1 ZINC000480873253 650635834 /nfs/dbraw/zinc/63/58/34/650635834.db2.gz CACAJIYZLSRVMK-WDEREUQCSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c(Br)c1 ZINC000480873251 650635942 /nfs/dbraw/zinc/63/59/42/650635942.db2.gz CACAJIYZLSRVMK-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(Br)c1 ZINC000480873251 650635944 /nfs/dbraw/zinc/63/59/44/650635944.db2.gz CACAJIYZLSRVMK-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c(Br)c1 ZINC000480903726 650637187 /nfs/dbraw/zinc/63/71/87/650637187.db2.gz ADXJTYVSFZFCKB-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c(Br)c1 ZINC000480903726 650637188 /nfs/dbraw/zinc/63/71/88/650637188.db2.gz ADXJTYVSFZFCKB-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO COc1ccc(Br)c2[nH]c(C(=O)NCC[N@@H+]3CCO[C@@H](C)C3)cc21 ZINC000523715089 650637307 /nfs/dbraw/zinc/63/73/07/650637307.db2.gz KLEXUOFOIHFUDT-NSHDSACASA-N 1 2 396.285 2.390 20 0 GEADLO COc1ccc(Br)c2[nH]c(C(=O)NCC[N@H+]3CCO[C@@H](C)C3)cc21 ZINC000523715089 650637310 /nfs/dbraw/zinc/63/73/10/650637310.db2.gz KLEXUOFOIHFUDT-NSHDSACASA-N 1 2 396.285 2.390 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1Br ZINC000523714300 650637341 /nfs/dbraw/zinc/63/73/41/650637341.db2.gz WDMUSLHDGIZRHG-ZDUSSCGKSA-N 1 2 385.302 2.227 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1Br ZINC000523714300 650637344 /nfs/dbraw/zinc/63/73/44/650637344.db2.gz WDMUSLHDGIZRHG-ZDUSSCGKSA-N 1 2 385.302 2.227 20 0 GEADLO Cc1ccc(OCCC(=O)N(C)CC[NH+]2CCOCC2)c(Br)c1 ZINC000524286043 650640064 /nfs/dbraw/zinc/64/00/64/650640064.db2.gz DZPQCQCCGPYULD-UHFFFAOYSA-N 1 2 385.302 2.317 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cc(Br)ccc1F)Cn1cc[nH+]c1 ZINC000481467687 650647032 /nfs/dbraw/zinc/64/70/32/650647032.db2.gz VGOYOSOARFNEJY-SNVBAGLBSA-N 1 2 376.251 2.399 20 0 GEADLO CN(CC(=O)Nc1cccc2[nH+]ccn21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000525105427 650649739 /nfs/dbraw/zinc/64/97/39/650649739.db2.gz RRILEIOBXVYQRK-UHFFFAOYSA-N 1 2 378.841 2.247 20 0 GEADLO CC(C)[C@H](CC(F)(F)F)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000527335586 650673130 /nfs/dbraw/zinc/67/31/30/650673130.db2.gz KWZIVWSNGGBYMZ-DZGCQCFKSA-N 1 2 383.480 2.471 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483354723 650677249 /nfs/dbraw/zinc/67/72/49/650677249.db2.gz UOGZVXWFDVLXOD-CQSZACIVSA-N 1 2 394.317 2.182 20 0 GEADLO O=C([C@H]1SCCc2sccc21)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000483365148 650677380 /nfs/dbraw/zinc/67/73/80/650677380.db2.gz NABQPNZWEFPWHU-PBHICJAKSA-N 1 2 382.551 2.028 20 0 GEADLO O=C(Cc1cc(Cl)ccc1Cl)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000483600677 650680252 /nfs/dbraw/zinc/68/02/52/650680252.db2.gz KIWGMLUBFRXQFG-INIZCTEOSA-N 1 2 387.307 2.486 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527622289 650681112 /nfs/dbraw/zinc/68/11/12/650681112.db2.gz LNKIHFOJJQEFIN-UHFFFAOYSA-N 1 2 379.295 2.228 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527622289 650681115 /nfs/dbraw/zinc/68/11/15/650681115.db2.gz LNKIHFOJJQEFIN-UHFFFAOYSA-N 1 2 379.295 2.228 20 0 GEADLO CC[C@H]([NH2+]Cc1ncc(Cl)cc1Br)C(=O)N1CCOCC1 ZINC000527671506 650681717 /nfs/dbraw/zinc/68/17/17/650681717.db2.gz SUCDLQNLRZGRCA-LBPRGKRZSA-N 1 2 376.682 2.225 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000483810558 650681934 /nfs/dbraw/zinc/68/19/34/650681934.db2.gz UVGBWIYMBXBPIE-SECBINFHSA-N 1 2 385.649 2.442 20 0 GEADLO CC(C)NS(=O)(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000485978683 650704219 /nfs/dbraw/zinc/70/42/19/650704219.db2.gz OLTLMPNGERBZCY-UHFFFAOYSA-N 1 2 390.347 2.246 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(Cl)c(F)cc1Cl ZINC000529749522 650706194 /nfs/dbraw/zinc/70/61/94/650706194.db2.gz AEQCCFNUMGGLEF-KRWDZBQOSA-N 1 2 391.270 2.478 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(Cl)c(F)cc1Cl ZINC000529749522 650706198 /nfs/dbraw/zinc/70/61/98/650706198.db2.gz AEQCCFNUMGGLEF-KRWDZBQOSA-N 1 2 391.270 2.478 20 0 GEADLO Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc1Br ZINC000529752923 650706284 /nfs/dbraw/zinc/70/62/84/650706284.db2.gz PSIXBVHWJFUQRG-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1Br ZINC000529752923 650706287 /nfs/dbraw/zinc/70/62/87/650706287.db2.gz PSIXBVHWJFUQRG-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000486645903 650717748 /nfs/dbraw/zinc/71/77/48/650717748.db2.gz NLJAIGFZLJQBJY-CYBMUJFWSA-N 1 2 391.331 2.418 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000486645903 650717751 /nfs/dbraw/zinc/71/77/51/650717751.db2.gz NLJAIGFZLJQBJY-CYBMUJFWSA-N 1 2 391.331 2.418 20 0 GEADLO COCCSCCC[NH+]1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000486807356 650722614 /nfs/dbraw/zinc/72/26/14/650722614.db2.gz DWQDVQPBLRVAHP-UHFFFAOYSA-N 1 2 386.583 2.379 20 0 GEADLO C[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)c1ccc(Br)s1 ZINC000531152717 650735864 /nfs/dbraw/zinc/73/58/64/650735864.db2.gz UOPHYPWVBOXPAL-LBPRGKRZSA-N 1 2 398.330 2.050 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](CO)c1cccc(Br)c1 ZINC000531739998 650743724 /nfs/dbraw/zinc/74/37/24/650743724.db2.gz TWUIPHMTOMHCHK-HNNXBMFYSA-N 1 2 381.274 2.459 20 0 GEADLO Cc1nnc(CC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)o1 ZINC000487748895 650737768 /nfs/dbraw/zinc/73/77/68/650737768.db2.gz BFWHXOQAWWZBNY-UHFFFAOYSA-N 1 2 394.229 2.202 20 0 GEADLO CSc1nsc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000531646940 650741811 /nfs/dbraw/zinc/74/18/11/650741811.db2.gz UTNCDFWKSWPHHB-UHFFFAOYSA-N 1 2 379.511 2.489 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000532665010 650751990 /nfs/dbraw/zinc/75/19/90/650751990.db2.gz PHLBZQCWVCWOJE-KGLIPLIRSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000532665010 650751992 /nfs/dbraw/zinc/75/19/92/650751992.db2.gz PHLBZQCWVCWOJE-KGLIPLIRSA-N 1 2 387.933 2.237 20 0 GEADLO CCOC(=O)c1nn(C)cc1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488384086 650745122 /nfs/dbraw/zinc/74/51/22/650745122.db2.gz IHANSOUSIADQAM-UHFFFAOYSA-N 1 2 396.285 2.354 20 0 GEADLO CCOC(=O)c1nn(C)cc1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488384086 650745125 /nfs/dbraw/zinc/74/51/25/650745125.db2.gz IHANSOUSIADQAM-UHFFFAOYSA-N 1 2 396.285 2.354 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)CN3C(=S)N=NC3c3cccs3)sc2C1 ZINC000023609061 642413040 /nfs/dbraw/zinc/41/30/40/642413040.db2.gz VSBXZSJIGJJNMP-UHFFFAOYSA-N 1 2 392.535 2.378 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)CN3C(=S)N=NC3c3cccs3)sc2C1 ZINC000023609061 642413044 /nfs/dbraw/zinc/41/30/44/642413044.db2.gz VSBXZSJIGJJNMP-UHFFFAOYSA-N 1 2 392.535 2.378 20 0 GEADLO Cc1cc(NS(=O)(=O)c2cc3c(cc2Br)OCCO3)c(C)c[nH+]1 ZINC000532619964 650750943 /nfs/dbraw/zinc/75/09/43/650750943.db2.gz ZXCSYPVJNHSUFA-UHFFFAOYSA-N 1 2 399.266 2.455 20 0 GEADLO O=C([C@H]1CCn2c[nH+]cc2C1)N(CCO)Cc1cccc(Br)c1 ZINC000489109708 650754256 /nfs/dbraw/zinc/75/42/56/650754256.db2.gz ITGIHIJASFJVAV-AWEZNQCLSA-N 1 2 378.270 2.229 20 0 GEADLO Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000532762220 650752896 /nfs/dbraw/zinc/75/28/96/650752896.db2.gz CHGTYURUDLTDBI-GDBMZVCRSA-N 1 2 379.551 2.272 20 0 GEADLO CC(C)(CNC(=O)c1ccccc1I)[NH+]1CCOCC1 ZINC000036733106 642509417 /nfs/dbraw/zinc/50/94/17/642509417.db2.gz QKVRGBKNEOIWQF-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000041281088 642527834 /nfs/dbraw/zinc/52/78/34/642527834.db2.gz SAONZOBQNDJQKN-HNNXBMFYSA-N 1 2 388.295 2.405 20 0 GEADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCOCC1 ZINC000041281298 642528929 /nfs/dbraw/zinc/52/89/29/642528929.db2.gz JQSZOTOAKSZHOD-CQSZACIVSA-N 1 2 388.295 2.405 20 0 GEADLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000533799051 650765713 /nfs/dbraw/zinc/76/57/13/650765713.db2.gz WKHKOGGRMVEGLF-OQPBUACISA-N 1 2 395.269 2.488 20 0 GEADLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000533799051 650765714 /nfs/dbraw/zinc/76/57/14/650765714.db2.gz WKHKOGGRMVEGLF-OQPBUACISA-N 1 2 395.269 2.488 20 0 GEADLO CS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000044296877 642573337 /nfs/dbraw/zinc/57/33/37/642573337.db2.gz RFHBGECHGPWZAN-UHFFFAOYSA-N 1 2 378.431 2.044 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000044398395 642577559 /nfs/dbraw/zinc/57/75/59/642577559.db2.gz WDJKHSDYQSCLOM-UHFFFAOYSA-N 1 2 393.285 2.039 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)c1cc(Cn2cc(Br)cn2)on1 ZINC000533556624 650762628 /nfs/dbraw/zinc/76/26/28/650762628.db2.gz GXAPIURSYGCOCM-UHFFFAOYSA-N 1 2 393.245 2.089 20 0 GEADLO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000045735517 642595580 /nfs/dbraw/zinc/59/55/80/642595580.db2.gz IFUXLLQYOJESJA-UHFFFAOYSA-N 1 2 387.267 2.194 20 0 GEADLO C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000045735517 642595587 /nfs/dbraw/zinc/59/55/87/642595587.db2.gz IFUXLLQYOJESJA-UHFFFAOYSA-N 1 2 387.267 2.194 20 0 GEADLO COc1cc(I)c(Cl)cc1C(=O)N1CC[NH+](C)CC1 ZINC000046112051 642605328 /nfs/dbraw/zinc/60/53/28/642605328.db2.gz BYLRUFVFFCOTIG-UHFFFAOYSA-N 1 2 394.640 2.341 20 0 GEADLO O=S1(=O)CCC[C@@H]([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000534350942 650773382 /nfs/dbraw/zinc/77/33/82/650773382.db2.gz AIXPZMVEYNWDQX-SNVBAGLBSA-N 1 2 375.281 2.241 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000049018186 642665482 /nfs/dbraw/zinc/66/54/82/642665482.db2.gz YJHWIYYMVQDXDO-UHFFFAOYSA-N 1 2 377.242 2.319 20 0 GEADLO CC(C)(CNC(=O)CCOc1cccc(Br)c1)[NH+]1CCOCC1 ZINC000049984672 642673719 /nfs/dbraw/zinc/67/37/19/642673719.db2.gz VQXFDEPIZQTZOV-UHFFFAOYSA-N 1 2 385.302 2.445 20 0 GEADLO CC(C)(CNC(=O)c1cc(Br)cnc1Cl)[NH+]1CCOCC1 ZINC000050045570 642675563 /nfs/dbraw/zinc/67/55/63/642675563.db2.gz HIIZSJJZCYOKKA-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)cc2[nH+]1 ZINC000534682091 650779738 /nfs/dbraw/zinc/77/97/38/650779738.db2.gz FUVCSYWXRFPMTJ-UHFFFAOYSA-N 1 2 379.463 2.217 20 0 GEADLO O=C(CSC(F)(F)F)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000058736352 642828569 /nfs/dbraw/zinc/82/85/69/642828569.db2.gz XFDUYCSYGVQJEP-UHFFFAOYSA-N 1 2 382.429 2.189 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000535808634 650790988 /nfs/dbraw/zinc/79/09/88/650790988.db2.gz PHCXRLWSOJSFOD-HOTGVXAUSA-N 1 2 388.917 2.021 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000535808634 650790989 /nfs/dbraw/zinc/79/09/89/650790989.db2.gz PHCXRLWSOJSFOD-HOTGVXAUSA-N 1 2 388.917 2.021 20 0 GEADLO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536015259 650794247 /nfs/dbraw/zinc/79/42/47/650794247.db2.gz GFWKXIYGQKPJIQ-HOCLYGCPSA-N 1 2 381.567 2.340 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000066880009 642944638 /nfs/dbraw/zinc/94/46/38/642944638.db2.gz OBDWSKQUGQTFBR-CYBMUJFWSA-N 1 2 387.933 2.413 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)N[C@@H](C)CCCC(C)C)CC1 ZINC000066879952 642945122 /nfs/dbraw/zinc/94/51/22/642945122.db2.gz JKRGSRFERKIXFW-INIZCTEOSA-N 1 2 375.579 2.063 20 0 GEADLO COCC[N@H+](CC(=O)NC[C@H]1CCCO1)Cc1cc(Br)cs1 ZINC000494100791 650801148 /nfs/dbraw/zinc/80/11/48/650801148.db2.gz ZIBFKYUECLHWNR-CYBMUJFWSA-N 1 2 391.331 2.254 20 0 GEADLO COCC[N@@H+](CC(=O)NC[C@H]1CCCO1)Cc1cc(Br)cs1 ZINC000494100791 650801152 /nfs/dbraw/zinc/80/11/52/650801152.db2.gz ZIBFKYUECLHWNR-CYBMUJFWSA-N 1 2 391.331 2.254 20 0 GEADLO COC(=O)[C@](C)(NC(=O)CCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000068451944 642998647 /nfs/dbraw/zinc/99/86/47/642998647.db2.gz SCHBSNBWXXPTJT-MRXNPFEDSA-N 1 2 380.242 2.240 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CSc2ccc(Cl)cc2)CC1 ZINC000068506827 643004052 /nfs/dbraw/zinc/00/40/52/643004052.db2.gz CMSJMLOPOQPNDH-UHFFFAOYSA-N 1 2 390.958 2.057 20 0 GEADLO C[C@H](CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000068901996 643015567 /nfs/dbraw/zinc/01/55/67/643015567.db2.gz WPLIKDFHOVVYBV-LLVKDONJSA-N 1 2 383.411 2.167 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000069254842 643026650 /nfs/dbraw/zinc/02/66/50/643026650.db2.gz GDZQCAYRRZYEJY-UHFFFAOYSA-N 1 2 377.869 2.110 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CCOc2ccccc2Br)CC1 ZINC000093291289 643075492 /nfs/dbraw/zinc/07/54/92/643075492.db2.gz IMNUHVZRCBKBME-CQSZACIVSA-N 1 2 396.329 2.113 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000093530795 643077635 /nfs/dbraw/zinc/07/76/35/643077635.db2.gz SLULXIULZUOSPR-CVEARBPZSA-N 1 2 388.917 2.021 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000093530795 643077639 /nfs/dbraw/zinc/07/76/39/643077639.db2.gz SLULXIULZUOSPR-CVEARBPZSA-N 1 2 388.917 2.021 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000093843537 643080539 /nfs/dbraw/zinc/08/05/39/643080539.db2.gz VWYVLCNUONLNNO-AWEZNQCLSA-N 1 2 396.329 2.283 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)nc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000101569819 643108348 /nfs/dbraw/zinc/10/83/48/643108348.db2.gz GOJSUUYIOGQPKW-UHFFFAOYSA-N 1 2 379.913 2.425 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1Cl ZINC000101861750 643116720 /nfs/dbraw/zinc/11/67/20/643116720.db2.gz DKGSLPVDRXKIJN-UHFFFAOYSA-N 1 2 382.873 2.385 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)s1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101950637 643118885 /nfs/dbraw/zinc/11/88/85/643118885.db2.gz SUYRATQHAGVOJB-UHFFFAOYSA-N 1 2 397.298 2.301 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Br)s2)C[C@@H]1C ZINC000537578078 650817181 /nfs/dbraw/zinc/81/71/81/650817181.db2.gz IBEIVXFBMISOPN-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Br)s2)C[C@@H]1C ZINC000537578078 650817183 /nfs/dbraw/zinc/81/71/83/650817183.db2.gz IBEIVXFBMISOPN-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H](O)COc1ccccc1 ZINC000104689056 643187891 /nfs/dbraw/zinc/18/78/91/643187891.db2.gz YEFWLPHSQLTLAB-CQSZACIVSA-N 1 2 394.269 2.154 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H](O)COc1ccccc1 ZINC000104689056 643187896 /nfs/dbraw/zinc/18/78/96/643187896.db2.gz YEFWLPHSQLTLAB-CQSZACIVSA-N 1 2 394.269 2.154 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCc1cc(F)cc(Br)c1)[NH+]1CCOCC1 ZINC000105170962 643200415 /nfs/dbraw/zinc/20/04/15/643200415.db2.gz BXBXDJMOWBKEIS-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H](NC(=O)NCc1cc(F)cc(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000105170970 643200718 /nfs/dbraw/zinc/20/07/18/643200718.db2.gz BXBXDJMOWBKEIS-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000105180444 643201508 /nfs/dbraw/zinc/20/15/08/643201508.db2.gz IONVIQPJGUWOPE-HNNXBMFYSA-N 1 2 398.301 2.246 20 0 GEADLO CCOCCN1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000106104871 643221644 /nfs/dbraw/zinc/22/16/44/643221644.db2.gz SJNGTOTUQYLIOB-OAHLLOKOSA-N 1 2 377.312 2.387 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCc3c(Br)cccc3C2)C[C@H](C)O1 ZINC000106384797 643229242 /nfs/dbraw/zinc/22/92/42/643229242.db2.gz JVYVNRLKBNWDCR-IJEWVQPXSA-N 1 2 383.330 2.277 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCc3c(Br)cccc3C2)C[C@H](C)O1 ZINC000106384797 643229248 /nfs/dbraw/zinc/22/92/48/643229248.db2.gz JVYVNRLKBNWDCR-IJEWVQPXSA-N 1 2 383.330 2.277 20 0 GEADLO C[C@H](O)[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000106864821 643242153 /nfs/dbraw/zinc/24/21/53/643242153.db2.gz QCNTVMDWFWQXIY-SWLSCSKDSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@H](O)[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000106864821 643242156 /nfs/dbraw/zinc/24/21/56/643242156.db2.gz QCNTVMDWFWQXIY-SWLSCSKDSA-N 1 2 376.316 2.458 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000107300850 643253235 /nfs/dbraw/zinc/25/32/35/643253235.db2.gz ZIUFPRWXGNXLOP-LBPRGKRZSA-N 1 2 384.889 2.000 20 0 GEADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000107300850 643253242 /nfs/dbraw/zinc/25/32/42/643253242.db2.gz ZIUFPRWXGNXLOP-LBPRGKRZSA-N 1 2 384.889 2.000 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)o1 ZINC000107698366 643260278 /nfs/dbraw/zinc/26/02/78/643260278.db2.gz BPURPIUGWAOETC-LBPRGKRZSA-N 1 2 384.479 2.243 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000108613184 643279340 /nfs/dbraw/zinc/27/93/40/643279340.db2.gz YKHGWZRJFFSGPH-ZJUUUORDSA-N 1 2 385.287 2.030 20 0 GEADLO CCN1C(=S)N=NC1CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000109065635 643288718 /nfs/dbraw/zinc/28/87/18/643288718.db2.gz QUEOVUCTCDHDRP-UHFFFAOYSA-N 1 2 376.511 2.092 20 0 GEADLO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111305611 643332166 /nfs/dbraw/zinc/33/21/66/643332166.db2.gz QGDLBDZHICFCON-QRTARXTBSA-N 1 2 384.929 2.163 20 0 GEADLO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111305611 643332173 /nfs/dbraw/zinc/33/21/73/643332173.db2.gz QGDLBDZHICFCON-QRTARXTBSA-N 1 2 384.929 2.163 20 0 GEADLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111305613 643332403 /nfs/dbraw/zinc/33/24/03/643332403.db2.gz QGDLBDZHICFCON-KMFMINBZSA-N 1 2 384.929 2.163 20 0 GEADLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111305613 643332410 /nfs/dbraw/zinc/33/24/10/643332410.db2.gz QGDLBDZHICFCON-KMFMINBZSA-N 1 2 384.929 2.163 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000496987311 650831824 /nfs/dbraw/zinc/83/18/24/650831824.db2.gz GFYRQHIRCVDART-KKUMJFAQSA-N 1 2 392.253 2.176 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000496987311 650831826 /nfs/dbraw/zinc/83/18/26/650831826.db2.gz GFYRQHIRCVDART-KKUMJFAQSA-N 1 2 392.253 2.176 20 0 GEADLO CN(CC[NH+]1CCOCC1)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000112407043 643361765 /nfs/dbraw/zinc/36/17/65/643361765.db2.gz IPIXYGRYSVXYHP-UHFFFAOYSA-N 1 2 395.301 2.187 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000113004475 643380624 /nfs/dbraw/zinc/38/06/24/643380624.db2.gz KVZMXZCBNATAJK-AAEUAGOBSA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000113004475 643380626 /nfs/dbraw/zinc/38/06/26/643380626.db2.gz KVZMXZCBNATAJK-AAEUAGOBSA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000113004473 643380696 /nfs/dbraw/zinc/38/06/96/643380696.db2.gz KVZMXZCBNATAJK-YPMHNXCESA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000113004473 643380699 /nfs/dbraw/zinc/38/06/99/643380699.db2.gz KVZMXZCBNATAJK-YPMHNXCESA-N 1 2 384.325 2.488 20 0 GEADLO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000113301015 643393069 /nfs/dbraw/zinc/39/30/69/643393069.db2.gz YQLDRDJQYXGEPW-OAHLLOKOSA-N 1 2 388.555 2.023 20 0 GEADLO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000113301015 643393072 /nfs/dbraw/zinc/39/30/72/643393072.db2.gz YQLDRDJQYXGEPW-OAHLLOKOSA-N 1 2 388.555 2.023 20 0 GEADLO O=C(CNC(=O)c1cccc(Br)c1)NCCCNc1cccc[nH+]1 ZINC000115161041 643431190 /nfs/dbraw/zinc/43/11/90/643431190.db2.gz PLYJKPKMDKTUQJ-UHFFFAOYSA-N 1 2 391.269 2.192 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H](NS(C)(=O)=O)C3)c2cc1Cl ZINC000116889306 643473807 /nfs/dbraw/zinc/47/38/07/643473807.db2.gz VUASAXMJTWGYHD-CYBMUJFWSA-N 1 2 384.885 2.132 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@H+]3CC[C@@H](NS(C)(=O)=O)C3)c2cc1Cl ZINC000116889306 643473810 /nfs/dbraw/zinc/47/38/10/643473810.db2.gz VUASAXMJTWGYHD-CYBMUJFWSA-N 1 2 384.885 2.132 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000118468232 643513746 /nfs/dbraw/zinc/51/37/46/643513746.db2.gz CBELXBRBCRPTQA-XHDPSFHLSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)[NH+]1CCOCC1 ZINC000118577232 643516057 /nfs/dbraw/zinc/51/60/57/643516057.db2.gz UWXKVAIICOQUMO-OZVIIMIRSA-N 1 2 390.311 2.435 20 0 GEADLO CC(=O)OC1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000118900318 643526426 /nfs/dbraw/zinc/52/64/26/643526426.db2.gz NSDSAUFOSBJTRX-UHFFFAOYSA-N 1 2 390.299 2.250 20 0 GEADLO CNC(=O)CCOC1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000539892780 650852776 /nfs/dbraw/zinc/85/27/76/650852776.db2.gz OVZXKUFRKQAMKD-UHFFFAOYSA-N 1 2 395.301 2.214 20 0 GEADLO C[C@H]1CCN(Cn2nc(N3CCOCC3)sc2=S)C[C@@H]1n1cc[nH+]c1 ZINC000121559296 643635755 /nfs/dbraw/zinc/63/57/55/643635755.db2.gz KCGBFRNMJJKNMO-KBPBESRZSA-N 1 2 380.543 2.248 20 0 GEADLO COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000121637926 643637176 /nfs/dbraw/zinc/63/71/76/643637176.db2.gz XHQWFUQPFZGGFZ-BETUJISGSA-N 1 2 383.286 2.199 20 0 GEADLO COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000121637926 643637185 /nfs/dbraw/zinc/63/71/85/643637185.db2.gz XHQWFUQPFZGGFZ-BETUJISGSA-N 1 2 383.286 2.199 20 0 GEADLO C[C@H]1CCN(C(=O)CCn2cc(Br)ccc2=O)C[C@@H]1n1cc[nH+]c1 ZINC000126004639 643717931 /nfs/dbraw/zinc/71/79/31/643717931.db2.gz DUYAMJNTUUJLJZ-ZFWWWQNUSA-N 1 2 393.285 2.307 20 0 GEADLO NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000540618296 650865641 /nfs/dbraw/zinc/86/56/41/650865641.db2.gz KCOVCZWRMNGHHK-UHFFFAOYSA-N 1 2 376.825 2.425 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000130329991 643835420 /nfs/dbraw/zinc/83/54/20/643835420.db2.gz NFOIIASFDYMSET-LBPRGKRZSA-N 1 2 391.269 2.271 20 0 GEADLO O=C(CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)Nc1ccc(Br)cc1 ZINC000131393395 643872174 /nfs/dbraw/zinc/87/21/74/643872174.db2.gz DPTGTIRZSQAVOB-GFCCVEGCSA-N 1 2 391.269 2.353 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCc2cc(Br)sc2C1 ZINC000131656735 643875207 /nfs/dbraw/zinc/87/52/07/643875207.db2.gz OASXLAZBOKWABT-NSHDSACASA-N 1 2 388.331 2.299 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000499258229 650877443 /nfs/dbraw/zinc/87/74/43/650877443.db2.gz YKXGUMNFYVLAGX-XJKSGUPXSA-N 1 2 394.313 2.103 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000499258229 650877445 /nfs/dbraw/zinc/87/74/45/650877445.db2.gz YKXGUMNFYVLAGX-XJKSGUPXSA-N 1 2 394.313 2.103 20 0 GEADLO O=C(Nc1cccc(Br)c1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000151380664 643940732 /nfs/dbraw/zinc/94/07/32/643940732.db2.gz LVAMACOTVJGSRN-HNNXBMFYSA-N 1 2 390.237 2.463 20 0 GEADLO O=C(Nc1ncc(Cc2cccc(Br)c2)s1)[C@H]1COCC[NH2+]1 ZINC000153334539 643985552 /nfs/dbraw/zinc/98/55/52/643985552.db2.gz SIFUJWOCUBFYLX-CYBMUJFWSA-N 1 2 382.283 2.423 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cn2cc(Br)ccc2=O)c1C ZINC000499659434 650889521 /nfs/dbraw/zinc/88/95/21/650889521.db2.gz UOWLQIJUEZPGSB-UHFFFAOYSA-N 1 2 394.269 2.290 20 0 GEADLO C[C@@H]([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccon1 ZINC000542647227 650891860 /nfs/dbraw/zinc/89/18/60/650891860.db2.gz BPCLYLKPENOHJY-LLVKDONJSA-N 1 2 384.267 2.376 20 0 GEADLO COc1cc(Br)ccc1C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000542857118 650892221 /nfs/dbraw/zinc/89/22/21/650892221.db2.gz UGMVYEQOJVJZPT-UHFFFAOYSA-N 1 2 391.331 2.314 20 0 GEADLO CNc1ncc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000158052311 644139364 /nfs/dbraw/zinc/13/93/64/644139364.db2.gz JPFDVPKDXGKJFV-UHFFFAOYSA-N 1 2 379.917 2.390 20 0 GEADLO CC(C)CC(=O)NNC(=O)[C@H](C)[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158143718 644141256 /nfs/dbraw/zinc/14/12/56/644141256.db2.gz YQXUQNFFCNYKLE-LBPRGKRZSA-N 1 2 390.311 2.370 20 0 GEADLO CC(C)CC(=O)NNC(=O)[C@H](C)[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158143718 644141260 /nfs/dbraw/zinc/14/12/60/644141260.db2.gz YQXUQNFFCNYKLE-LBPRGKRZSA-N 1 2 390.311 2.370 20 0 GEADLO OC[C@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccc(Br)cc1 ZINC000543236652 650904732 /nfs/dbraw/zinc/90/47/32/650904732.db2.gz VOHZTQFVEJKHKE-KRWDZBQOSA-N 1 2 388.269 2.307 20 0 GEADLO C[C@@H](NC(=O)c1cc2c(c(Br)c1)OCO2)[C@H](C)[NH+]1CCOCC1 ZINC000170887250 644295268 /nfs/dbraw/zinc/29/52/68/644295268.db2.gz FEWATJVXOZCPFM-MNOVXSKESA-N 1 2 385.258 2.017 20 0 GEADLO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000171097291 644308645 /nfs/dbraw/zinc/30/86/45/644308645.db2.gz JGQDBVMDNBRPRO-HQIZRNBFSA-N 1 2 380.539 2.327 20 0 GEADLO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000171097291 644308649 /nfs/dbraw/zinc/30/86/49/644308649.db2.gz JGQDBVMDNBRPRO-HQIZRNBFSA-N 1 2 380.539 2.327 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCS(=O)(=O)[C@@H](C)[C@@H]3C)c[nH+]c12 ZINC000543394270 650909372 /nfs/dbraw/zinc/90/93/72/650909372.db2.gz GNUFUWKWOZVWCZ-RYUDHWBXSA-N 1 2 386.315 2.413 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)c(Cl)cc1Cl ZINC000175211156 644386221 /nfs/dbraw/zinc/38/62/21/644386221.db2.gz ZZQZKHAKHUQUNU-UHFFFAOYSA-N 1 2 395.308 2.495 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000177283314 644412615 /nfs/dbraw/zinc/41/26/15/644412615.db2.gz FQUBUJPRZNOKSD-AWEZNQCLSA-N 1 2 395.219 2.407 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000177283314 644412619 /nfs/dbraw/zinc/41/26/19/644412619.db2.gz FQUBUJPRZNOKSD-AWEZNQCLSA-N 1 2 395.219 2.407 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC[N@H+]1C ZINC000543673191 650918635 /nfs/dbraw/zinc/91/86/35/650918635.db2.gz ACWUAKTWIJONCP-MNOVXSKESA-N 1 2 389.315 2.097 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC[N@@H+]1C ZINC000543673191 650918639 /nfs/dbraw/zinc/91/86/39/650918639.db2.gz ACWUAKTWIJONCP-MNOVXSKESA-N 1 2 389.315 2.097 20 0 GEADLO CN(Cc1cnn(C)c1)C(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000179687833 644467262 /nfs/dbraw/zinc/46/72/62/644467262.db2.gz DKMMAONHWCSVOJ-UHFFFAOYSA-N 1 2 385.295 2.180 20 0 GEADLO CN(Cc1cnn(C)c1)C(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000179687833 644467266 /nfs/dbraw/zinc/46/72/66/644467266.db2.gz DKMMAONHWCSVOJ-UHFFFAOYSA-N 1 2 385.295 2.180 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000179926559 644480552 /nfs/dbraw/zinc/48/05/52/644480552.db2.gz HQWRVFJFYSRTHI-UHFFFAOYSA-N 1 2 397.298 2.396 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)/C=C/c1ccc(I)o1 ZINC000181647801 644942736 /nfs/dbraw/zinc/94/27/36/644942736.db2.gz WSFOVVBLXAGWFM-JOAKQRRISA-N 1 2 391.205 2.161 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)NCC[NH+]2CCCC2)c1 ZINC000182632804 644966561 /nfs/dbraw/zinc/96/65/61/644966561.db2.gz AKTIOICTAUDCLL-UHFFFAOYSA-N 1 2 389.315 2.068 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cccc(=O)n3C)[nH+]c12 ZINC000545354611 650970481 /nfs/dbraw/zinc/97/04/81/650970481.db2.gz FFTPQAGXPIUYGY-UHFFFAOYSA-N 1 2 389.253 2.076 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000184178188 645012141 /nfs/dbraw/zinc/01/21/41/645012141.db2.gz XOICQGMOYDAPSD-MUAYPFOZSA-N 1 2 386.901 2.210 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)COC[C@@H]3CCOC3)[nH+]c12 ZINC000545357817 650970920 /nfs/dbraw/zinc/97/09/20/650970920.db2.gz HCTKSZYZLIJRHO-CYBMUJFWSA-N 1 2 396.285 2.117 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)nc12 ZINC000545406646 650973288 /nfs/dbraw/zinc/97/32/88/650973288.db2.gz OLYHVTDAWOVPFQ-GFCCVEGCSA-N 1 2 388.269 2.481 20 0 GEADLO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)cc(F)c1O ZINC000186166864 645061884 /nfs/dbraw/zinc/06/18/84/645061884.db2.gz FDCDEYHVRUMGAR-ZJUUUORDSA-N 1 2 395.294 2.226 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187036304 645079764 /nfs/dbraw/zinc/07/97/64/645079764.db2.gz MKDURFIHMPIZJN-HZMBPMFUSA-N 1 2 382.295 2.377 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187036304 645079770 /nfs/dbraw/zinc/07/97/70/645079770.db2.gz MKDURFIHMPIZJN-HZMBPMFUSA-N 1 2 382.295 2.377 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000545504508 650977554 /nfs/dbraw/zinc/97/75/54/650977554.db2.gz QODVKJBYUVUSLM-GFCCVEGCSA-N 1 2 382.258 2.214 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000545504508 650977556 /nfs/dbraw/zinc/97/75/56/650977556.db2.gz QODVKJBYUVUSLM-GFCCVEGCSA-N 1 2 382.258 2.214 20 0 GEADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)[nH+]1 ZINC000188126900 645109620 /nfs/dbraw/zinc/10/96/20/645109620.db2.gz HZCUFOKAYPTKKW-UHFFFAOYSA-N 1 2 375.603 2.300 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000188614553 645121619 /nfs/dbraw/zinc/12/16/19/645121619.db2.gz NZMMNRWAOKSTTE-CYBMUJFWSA-N 1 2 376.881 2.355 20 0 GEADLO CO[C@@H]1CC(=O)N(C[NH+]2CCC(Oc3cccc(Br)c3)CC2)C1 ZINC000189193466 645134333 /nfs/dbraw/zinc/13/43/33/645134333.db2.gz JPZHNXQYUWLWAF-MRXNPFEDSA-N 1 2 383.286 2.497 20 0 GEADLO CC[C@H]([NH2+]CCCNC(=O)c1cc(OC)ccc1Br)C(=O)OC ZINC000192847541 645225476 /nfs/dbraw/zinc/22/54/76/645225476.db2.gz BWINPHALPIXWRC-AWEZNQCLSA-N 1 2 387.274 2.119 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cn4cccnc4n3)[nH+]c12 ZINC000546115988 650992014 /nfs/dbraw/zinc/99/20/14/650992014.db2.gz VXXGAPVIHSJPGB-UHFFFAOYSA-N 1 2 399.252 2.420 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000546170656 650993924 /nfs/dbraw/zinc/99/39/24/650993924.db2.gz LTCXGEGFEXCISM-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000546170656 650993930 /nfs/dbraw/zinc/99/39/30/650993930.db2.gz LTCXGEGFEXCISM-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)cc1Cl ZINC000193309962 645265288 /nfs/dbraw/zinc/26/52/88/645265288.db2.gz PHSQCOZZBYZBHM-CQSZACIVSA-N 1 2 386.930 2.131 20 0 GEADLO O=C(NCc1ccc(O)c(Br)c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000193597831 645288580 /nfs/dbraw/zinc/28/85/80/645288580.db2.gz SLLYWLJMAMEHFI-OAHLLOKOSA-N 1 2 383.286 2.414 20 0 GEADLO O=C(NCc1ccc(O)c(Br)c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000193597831 645288584 /nfs/dbraw/zinc/28/85/84/645288584.db2.gz SLLYWLJMAMEHFI-OAHLLOKOSA-N 1 2 383.286 2.414 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC000194082089 645311658 /nfs/dbraw/zinc/31/16/58/645311658.db2.gz RJSBRSSGFGNACM-UHFFFAOYSA-N 1 2 393.336 2.161 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCc2c(Br)cccc2C1 ZINC000195269227 645367861 /nfs/dbraw/zinc/36/78/61/645367861.db2.gz OBSMHTCCLRWYJK-ZDUSSCGKSA-N 1 2 382.302 2.238 20 0 GEADLO Cc1ccc(Cc2cnc(NC(=O)CN3CC[NH2+]CC3=O)s2)cc1Cl ZINC000237828467 645443941 /nfs/dbraw/zinc/44/39/41/645443941.db2.gz GAHQZUOIDHUJMU-UHFFFAOYSA-N 1 2 378.885 2.066 20 0 GEADLO C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245420271 645454083 /nfs/dbraw/zinc/45/40/83/645454083.db2.gz HKLBCFKGTWDDRC-HUUCEWRRSA-N 1 2 383.901 2.136 20 0 GEADLO C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245420271 645454089 /nfs/dbraw/zinc/45/40/89/645454089.db2.gz HKLBCFKGTWDDRC-HUUCEWRRSA-N 1 2 383.901 2.136 20 0 GEADLO C[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C[C@H](CO)O1 ZINC000248734439 645536011 /nfs/dbraw/zinc/53/60/11/645536011.db2.gz GWDHJUXNJVBHKH-XYPHTWIQSA-N 1 2 397.313 2.194 20 0 GEADLO O=S(=O)(c1ccccc1Br)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261609219 645589917 /nfs/dbraw/zinc/58/99/17/645589917.db2.gz BSKCKVSDOFLCFV-CQSZACIVSA-N 1 2 382.283 2.179 20 0 GEADLO O=C(c1csc(Br)c1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261776484 645599344 /nfs/dbraw/zinc/59/93/44/645599344.db2.gz PTUUESLPVLDUMI-UHFFFAOYSA-N 1 2 396.314 2.225 20 0 GEADLO O=C(CC[C@@H]1CC[NH2+]C1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000261805649 645601354 /nfs/dbraw/zinc/60/13/54/645601354.db2.gz GEUKEIVVQWKJHD-GFCCVEGCSA-N 1 2 380.495 2.272 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc(F)cc(Br)c1 ZINC000264324600 645674651 /nfs/dbraw/zinc/67/46/51/645674651.db2.gz REHLITALHIBDON-UHFFFAOYSA-N 1 2 397.248 2.369 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2Cl)CC1 ZINC000264670209 645700728 /nfs/dbraw/zinc/70/07/28/645700728.db2.gz YFYYFUWSCQYMGR-UHFFFAOYSA-N 1 2 382.917 2.348 20 0 GEADLO COc1ccc(Br)cc1C[N@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000264678200 645701458 /nfs/dbraw/zinc/70/14/58/645701458.db2.gz BHZVYCANDWZEKX-HNNXBMFYSA-N 1 2 393.285 2.429 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000264678200 645701463 /nfs/dbraw/zinc/70/14/63/645701463.db2.gz BHZVYCANDWZEKX-HNNXBMFYSA-N 1 2 393.285 2.429 20 0 GEADLO CNS(=O)(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000264700169 645703839 /nfs/dbraw/zinc/70/38/39/645703839.db2.gz IDMUSNFKEVKSJX-JTQLQIEISA-N 1 2 394.324 2.334 20 0 GEADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](CCO)CCOCC(F)(F)F ZINC000264921415 645728075 /nfs/dbraw/zinc/72/80/75/645728075.db2.gz ZKNWZLQYZVXDJU-UHFFFAOYSA-N 1 2 384.782 2.160 20 0 GEADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](CCO)CCOCC(F)(F)F ZINC000264921415 645728080 /nfs/dbraw/zinc/72/80/80/645728080.db2.gz ZKNWZLQYZVXDJU-UHFFFAOYSA-N 1 2 384.782 2.160 20 0 GEADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000264949682 645730368 /nfs/dbraw/zinc/73/03/68/645730368.db2.gz KDGKIVWRWTYLFI-OLZOCXBDSA-N 1 2 388.559 2.414 20 0 GEADLO Cc1cc(Br)cc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000547622787 651039587 /nfs/dbraw/zinc/03/95/87/651039587.db2.gz GFKSAXAREJMHEP-UHFFFAOYSA-N 1 2 379.258 2.489 20 0 GEADLO CC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@@H](O)C(F)(F)F ZINC000547643007 651040634 /nfs/dbraw/zinc/04/06/34/651040634.db2.gz DWYFWMPJMYJNPS-LLVKDONJSA-N 1 2 394.191 2.202 20 0 GEADLO CC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@@H](O)C(F)(F)F ZINC000547643007 651040636 /nfs/dbraw/zinc/04/06/36/651040636.db2.gz DWYFWMPJMYJNPS-LLVKDONJSA-N 1 2 394.191 2.202 20 0 GEADLO C[C@H]1CSCC[N@@H+]1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000265637545 645784680 /nfs/dbraw/zinc/78/46/80/645784680.db2.gz HHTBMOPZVJEZDN-AWEZNQCLSA-N 1 2 379.551 2.251 20 0 GEADLO C[C@H]1CSCC[N@H+]1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000265637545 645784690 /nfs/dbraw/zinc/78/46/90/645784690.db2.gz HHTBMOPZVJEZDN-AWEZNQCLSA-N 1 2 379.551 2.251 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000547793211 651045547 /nfs/dbraw/zinc/04/55/47/651045547.db2.gz OZRXTXQOBGSUHX-UHFFFAOYSA-N 1 2 385.873 2.197 20 0 GEADLO Cc1c(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)cnn1-c1ccc(Cl)cc1 ZINC000266195434 645833072 /nfs/dbraw/zinc/83/30/72/645833072.db2.gz JGPJXSQKVYRVDK-GFCCVEGCSA-N 1 2 379.873 2.398 20 0 GEADLO CC[N@H+](CCOc1ccc(C(=O)OC)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000266622552 645854159 /nfs/dbraw/zinc/85/41/59/645854159.db2.gz GELXWRQJZKXTOS-CYBMUJFWSA-N 1 2 375.874 2.014 20 0 GEADLO CC[N@@H+](CCOc1ccc(C(=O)OC)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000266622552 645854162 /nfs/dbraw/zinc/85/41/62/645854162.db2.gz GELXWRQJZKXTOS-CYBMUJFWSA-N 1 2 375.874 2.014 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000267272865 645894160 /nfs/dbraw/zinc/89/41/60/645894160.db2.gz VVHCAYZTYSDCJL-UHFFFAOYSA-N 1 2 384.889 2.378 20 0 GEADLO COc1ccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000547954352 651058635 /nfs/dbraw/zinc/05/86/35/651058635.db2.gz ARDNTCPLOUXKPM-GFCCVEGCSA-N 1 2 379.258 2.468 20 0 GEADLO C[C@H](NC(=O)C[S@](=O)Cc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000268182059 645950585 /nfs/dbraw/zinc/95/05/85/645950585.db2.gz UDIBHECNKGUMMS-KPWVOAKYSA-N 1 2 384.299 2.309 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)c2cncc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000268231603 645956314 /nfs/dbraw/zinc/95/63/14/645956314.db2.gz FSANNSKMRNVFMC-FZMZJTMJSA-N 1 2 385.287 2.312 20 0 GEADLO Nc1ccnc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000268664131 645985385 /nfs/dbraw/zinc/98/53/85/645985385.db2.gz MEALKKDUGHJZKB-NSHDSACASA-N 1 2 391.273 2.067 20 0 GEADLO Nc1ccnc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000268664131 645985389 /nfs/dbraw/zinc/98/53/89/645985389.db2.gz MEALKKDUGHJZKB-NSHDSACASA-N 1 2 391.273 2.067 20 0 GEADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1[nH]nc(C2CC2)c1Br ZINC000270018496 646084254 /nfs/dbraw/zinc/08/42/54/646084254.db2.gz QCSZIESMRXILCD-NSHDSACASA-N 1 2 376.258 2.453 20 0 GEADLO COC[C@H](CCO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000270022461 646084270 /nfs/dbraw/zinc/08/42/70/646084270.db2.gz ARXQNZALDFJPOB-HOTGVXAUSA-N 1 2 385.302 2.100 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)cc1Cl ZINC000271084281 646171989 /nfs/dbraw/zinc/17/19/89/646171989.db2.gz YYEALNJRSROYTA-UHFFFAOYSA-N 1 2 377.869 2.152 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)cc1Cl ZINC000271084281 646171995 /nfs/dbraw/zinc/17/19/95/646171995.db2.gz YYEALNJRSROYTA-UHFFFAOYSA-N 1 2 377.869 2.152 20 0 GEADLO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cscn1 ZINC000271123936 646176028 /nfs/dbraw/zinc/17/60/28/646176028.db2.gz KBUJOPWCRHWWLK-ZFWWWQNUSA-N 1 2 381.523 2.451 20 0 GEADLO NC(=O)[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(Br)cc1F ZINC000271334286 646192295 /nfs/dbraw/zinc/19/22/95/646192295.db2.gz AZVRGEOFXJFRLL-RISCZKNCSA-N 1 2 387.249 2.390 20 0 GEADLO C[C@H]1CCN(C(=O)c2nccn3c(Br)cnc23)C[C@@H]1n1cc[nH+]c1 ZINC000271457221 646209267 /nfs/dbraw/zinc/20/92/67/646209267.db2.gz SPYAKSDSOCJOCE-RYUDHWBXSA-N 1 2 389.257 2.412 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCc3ccnn3C)[nH+]c12 ZINC000273371319 646313415 /nfs/dbraw/zinc/31/34/15/646313415.db2.gz XQXOJZULWPHLED-UHFFFAOYSA-N 1 2 391.273 2.181 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)CCCO)[nH+]c12 ZINC000273399670 646315313 /nfs/dbraw/zinc/31/53/13/646315313.db2.gz GLPKEPVFRRUTJI-GFCCVEGCSA-N 1 2 383.290 2.408 20 0 GEADLO CS(=O)(=O)CCCCCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000274857300 646332812 /nfs/dbraw/zinc/33/28/12/646332812.db2.gz ZTSDUWQXLRFCRD-UHFFFAOYSA-N 1 2 388.559 2.465 20 0 GEADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274865066 646334066 /nfs/dbraw/zinc/33/40/66/646334066.db2.gz JFWSFBBAWMKNOK-UHFFFAOYSA-N 1 2 381.263 2.093 20 0 GEADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274865066 646334069 /nfs/dbraw/zinc/33/40/69/646334069.db2.gz JFWSFBBAWMKNOK-UHFFFAOYSA-N 1 2 381.263 2.093 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000278063198 646488574 /nfs/dbraw/zinc/48/85/74/646488574.db2.gz FPMIJKUDFNHRLJ-TZMCWYRMSA-N 1 2 391.295 2.278 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000278063198 646488578 /nfs/dbraw/zinc/48/85/78/646488578.db2.gz FPMIJKUDFNHRLJ-TZMCWYRMSA-N 1 2 391.295 2.278 20 0 GEADLO Cc1nc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1Br ZINC000278105507 646493577 /nfs/dbraw/zinc/49/35/77/646493577.db2.gz QYUVJTFCBMEHKQ-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO O=C(NCCCCNc1cccc[nH+]1)C(=O)Nc1cccc(Br)n1 ZINC000278644102 646534868 /nfs/dbraw/zinc/53/48/68/646534868.db2.gz VOQKADCILKYZGN-UHFFFAOYSA-N 1 2 392.257 2.186 20 0 GEADLO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3c(Br)cnn3C)C2=O)cc1 ZINC000278697426 646540737 /nfs/dbraw/zinc/54/07/37/646540737.db2.gz JIWYJHCBDFWIOZ-OAHLLOKOSA-N 1 2 377.286 2.382 20 0 GEADLO CS(=O)(=O)C1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000279589197 646614064 /nfs/dbraw/zinc/61/40/64/646614064.db2.gz HLEWOIVVGITUPM-CQSZACIVSA-N 1 2 385.555 2.152 20 0 GEADLO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[NH+](CCO)CC1 ZINC000279670432 646621305 /nfs/dbraw/zinc/62/13/05/646621305.db2.gz LTGIUHXFCPIWIT-UHFFFAOYSA-N 1 2 385.852 2.139 20 0 GEADLO O=S1(=O)CC[C@@H](C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000280027299 646646552 /nfs/dbraw/zinc/64/65/52/646646552.db2.gz NACPSZVGQXWALM-HNNXBMFYSA-N 1 2 376.444 2.258 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCC[C@H](C)O)[nH+]c12 ZINC000280162667 646657568 /nfs/dbraw/zinc/65/75/68/646657568.db2.gz XVSSTLORGAELJQ-LBPRGKRZSA-N 1 2 383.290 2.408 20 0 GEADLO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1=O ZINC000280274339 646666127 /nfs/dbraw/zinc/66/61/27/646666127.db2.gz YBIMYRBBWYFCEJ-TVQRCGJNSA-N 1 2 394.324 2.301 20 0 GEADLO CCN(C)C(=O)CC[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280817311 646720413 /nfs/dbraw/zinc/72/04/13/646720413.db2.gz UMWLGOUYRNTYCB-UHFFFAOYSA-N 1 2 380.290 2.330 20 0 GEADLO CCN(C)C(=O)CC[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280817311 646720420 /nfs/dbraw/zinc/72/04/20/646720420.db2.gz UMWLGOUYRNTYCB-UHFFFAOYSA-N 1 2 380.290 2.330 20 0 GEADLO CN(C)[C@@H](C(=O)Nc1cccc(I)c1)c1c[nH+]cn1C ZINC000281185027 646752367 /nfs/dbraw/zinc/75/23/67/646752367.db2.gz OFEITLOIPMNLPE-CYBMUJFWSA-N 1 2 384.221 2.266 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000284114052 646834695 /nfs/dbraw/zinc/83/46/95/646834695.db2.gz WWXAIJKCEJHBLT-JTQLQIEISA-N 1 2 399.676 2.120 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287350615 646885232 /nfs/dbraw/zinc/88/52/32/646885232.db2.gz NIVCBTKRQAQYLJ-YPMHNXCESA-N 1 2 398.301 2.096 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000288135078 646909250 /nfs/dbraw/zinc/90/92/50/646909250.db2.gz ZHAXWIXNHQUCRO-CJNGLKHVSA-N 1 2 387.933 2.067 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)S[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000289404387 646933194 /nfs/dbraw/zinc/93/31/94/646933194.db2.gz NQEYQFSEVMHLGF-LSDHHAIUSA-N 1 2 384.567 2.437 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2c[nH+]cn2C)c1 ZINC000291470773 647177990 /nfs/dbraw/zinc/17/79/90/647177990.db2.gz PBWZXZFUCRKDFX-UHFFFAOYSA-N 1 2 384.889 2.034 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000292165715 647183139 /nfs/dbraw/zinc/18/31/39/647183139.db2.gz ZPKIKGLBSKSBDT-UHFFFAOYSA-N 1 2 398.330 2.272 20 0 GEADLO O=C(c1cc(Br)c(F)cc1O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000294941532 647228191 /nfs/dbraw/zinc/22/81/91/647228191.db2.gz LLKHMQCCJYCJGR-LLVKDONJSA-N 1 2 387.249 2.088 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000296149091 647245124 /nfs/dbraw/zinc/24/51/24/647245124.db2.gz GRXICMPLKMIUNE-MRXNPFEDSA-N 1 2 375.252 2.443 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000296149091 647245128 /nfs/dbraw/zinc/24/51/28/647245128.db2.gz GRXICMPLKMIUNE-MRXNPFEDSA-N 1 2 375.252 2.443 20 0 GEADLO COC(=O)[C@@H]1C[N@H+](Cc2nn(C)cc2Br)C[C@H]1c1ccc(O)cc1 ZINC000296859316 647255213 /nfs/dbraw/zinc/25/52/13/647255213.db2.gz YSVGIFDSXHDXDV-UONOGXRCSA-N 1 2 394.269 2.277 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+](Cc2nn(C)cc2Br)C[C@H]1c1ccc(O)cc1 ZINC000296859316 647255227 /nfs/dbraw/zinc/25/52/27/647255227.db2.gz YSVGIFDSXHDXDV-UONOGXRCSA-N 1 2 394.269 2.277 20 0 GEADLO COc1ccc(Br)cc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000323561458 647298169 /nfs/dbraw/zinc/29/81/69/647298169.db2.gz UCXDRTDDKXRHOE-AWEZNQCLSA-N 1 2 383.286 2.395 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000330918806 647358824 /nfs/dbraw/zinc/35/88/24/647358824.db2.gz XPTITCJTXHGZFT-UHFFFAOYSA-N 1 2 385.839 2.377 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000330968705 647361021 /nfs/dbraw/zinc/36/10/21/647361021.db2.gz SLIQOWJZSZKAOD-BFHYXJOUSA-N 1 2 390.933 2.467 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000330968705 647361024 /nfs/dbraw/zinc/36/10/24/647361024.db2.gz SLIQOWJZSZKAOD-BFHYXJOUSA-N 1 2 390.933 2.467 20 0 GEADLO CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000332106641 647411899 /nfs/dbraw/zinc/41/18/99/647411899.db2.gz ZRLLXMBCVOUFCN-GFCCVEGCSA-N 1 2 382.873 2.210 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)CC[N@@H+]1C[C@H](C)O ZINC000332628300 647449112 /nfs/dbraw/zinc/44/91/12/647449112.db2.gz YJLRLWPYXOVZQM-JSGCOSHPSA-N 1 2 383.539 2.070 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)CC[N@H+]1C[C@H](C)O ZINC000332628300 647449115 /nfs/dbraw/zinc/44/91/15/647449115.db2.gz YJLRLWPYXOVZQM-JSGCOSHPSA-N 1 2 383.539 2.070 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)CC[N@@H+]1C[C@@H](C)O ZINC000332628303 647449170 /nfs/dbraw/zinc/44/91/70/647449170.db2.gz YJLRLWPYXOVZQM-OCCSQVGLSA-N 1 2 383.539 2.070 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)CC[N@H+]1C[C@@H](C)O ZINC000332628303 647449172 /nfs/dbraw/zinc/44/91/72/647449172.db2.gz YJLRLWPYXOVZQM-OCCSQVGLSA-N 1 2 383.539 2.070 20 0 GEADLO C[C@@H](Cc1cc(Br)ccc1F)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348620651 647495750 /nfs/dbraw/zinc/49/57/50/647495750.db2.gz LLCSBVNADFPKQM-XPTSAGLGSA-N 1 2 395.232 2.405 20 0 GEADLO C[C@@H](Cc1cc(Br)ccc1F)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348620651 647495756 /nfs/dbraw/zinc/49/57/56/647495756.db2.gz LLCSBVNADFPKQM-XPTSAGLGSA-N 1 2 395.232 2.405 20 0 GEADLO Cc1sc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc1CS(C)(=O)=O ZINC000349848579 647524625 /nfs/dbraw/zinc/52/46/25/647524625.db2.gz IZHTYJQFEVMENH-ZDUSSCGKSA-N 1 2 385.511 2.433 20 0 GEADLO Cc1sc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc1CS(C)(=O)=O ZINC000349848579 647524634 /nfs/dbraw/zinc/52/46/34/647524634.db2.gz IZHTYJQFEVMENH-ZDUSSCGKSA-N 1 2 385.511 2.433 20 0 GEADLO Cc1cnc2c(cccc2S(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000361085035 647559422 /nfs/dbraw/zinc/55/94/22/647559422.db2.gz DUCCXGFOWXVEBG-MRXNPFEDSA-N 1 2 377.535 2.355 20 0 GEADLO CC(C)(CNC(=O)CN1CCSC[C@H]1c1cccs1)[NH+]1CCOCC1 ZINC000363285657 647591316 /nfs/dbraw/zinc/59/13/16/647591316.db2.gz PVTRHDOOBQOXML-HNNXBMFYSA-N 1 2 383.583 2.065 20 0 GEADLO C[C@H]1C[N@H+](CCCNC(=O)N=c2nc(-c3ccsc3)[nH]s2)CCCO1 ZINC000363917910 647612911 /nfs/dbraw/zinc/61/29/11/647612911.db2.gz HAXBHTXUMGFNTM-LBPRGKRZSA-N 1 2 381.527 2.311 20 0 GEADLO C[C@H]1C[N@@H+](CCCNC(=O)N=c2nc(-c3ccsc3)[nH]s2)CCCO1 ZINC000363917910 647612914 /nfs/dbraw/zinc/61/29/14/647612914.db2.gz HAXBHTXUMGFNTM-LBPRGKRZSA-N 1 2 381.527 2.311 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)cc1Cl ZINC000364757668 647641038 /nfs/dbraw/zinc/64/10/38/647641038.db2.gz QIIULWUMJNPMAE-GFCCVEGCSA-N 1 2 376.931 2.160 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2NC(=O)C[C@@H]2C(F)(F)F)CC1 ZINC000365467479 647671368 /nfs/dbraw/zinc/67/13/68/647671368.db2.gz CAMQZYAYZCELCN-SCDSUCTJSA-N 1 2 375.416 2.020 20 0 GEADLO Cc1nn(C)c(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1Br ZINC000365556960 647676970 /nfs/dbraw/zinc/67/69/70/647676970.db2.gz MHAYKDGNFYALFT-UHFFFAOYSA-N 1 2 379.306 2.382 20 0 GEADLO Cc1nn(C)c(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c1Br ZINC000365556960 647676973 /nfs/dbraw/zinc/67/69/73/647676973.db2.gz MHAYKDGNFYALFT-UHFFFAOYSA-N 1 2 379.306 2.382 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)NC1CCN(c2cccc[nH+]2)CC1 ZINC000365771231 647686870 /nfs/dbraw/zinc/68/68/70/647686870.db2.gz XBIUIRJZMOPTQA-UHFFFAOYSA-N 1 2 391.269 2.272 20 0 GEADLO O=S1(=O)CCC[C@H](C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 ZINC000366962297 647711313 /nfs/dbraw/zinc/71/13/13/647711313.db2.gz LHKYSNNQVIPNAH-CYBMUJFWSA-N 1 2 377.432 2.047 20 0 GEADLO Cc1nc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)sc1S(N)(=O)=O ZINC000367219140 647724738 /nfs/dbraw/zinc/72/47/38/647724738.db2.gz LYLAMBFDUKAAKV-QWHCGFSZSA-N 1 2 388.465 2.234 20 0 GEADLO Cc1nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)sc1S(N)(=O)=O ZINC000367219140 647724742 /nfs/dbraw/zinc/72/47/42/647724742.db2.gz LYLAMBFDUKAAKV-QWHCGFSZSA-N 1 2 388.465 2.234 20 0 GEADLO Cc1nc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)sc1S(N)(=O)=O ZINC000367219141 647724816 /nfs/dbraw/zinc/72/48/16/647724816.db2.gz LYLAMBFDUKAAKV-STQMWFEESA-N 1 2 388.465 2.234 20 0 GEADLO Cc1nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)sc1S(N)(=O)=O ZINC000367219141 647724820 /nfs/dbraw/zinc/72/48/20/647724820.db2.gz LYLAMBFDUKAAKV-STQMWFEESA-N 1 2 388.465 2.234 20 0 GEADLO CN(CC(F)(F)Br)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000367285008 647726471 /nfs/dbraw/zinc/72/64/71/647726471.db2.gz BDOVEGUIQCQLQK-UHFFFAOYSA-N 1 2 379.249 2.078 20 0 GEADLO C[C@@H](c1nnc(-c2cccc(F)c2)s1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000367292884 647727311 /nfs/dbraw/zinc/72/73/11/647727311.db2.gz WGPWQWBTWNDWPP-NSHDSACASA-N 1 2 384.502 2.406 20 0 GEADLO Cc1csc2c1C[N@H+](CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)CC2 ZINC000367917395 647747795 /nfs/dbraw/zinc/74/77/95/647747795.db2.gz MDRIQAYJCRBTRP-UHFFFAOYSA-N 1 2 379.507 2.009 20 0 GEADLO Cc1csc2c1C[N@@H+](CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)CC2 ZINC000367917395 647747801 /nfs/dbraw/zinc/74/78/01/647747801.db2.gz MDRIQAYJCRBTRP-UHFFFAOYSA-N 1 2 379.507 2.009 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000368830312 647765895 /nfs/dbraw/zinc/76/58/95/647765895.db2.gz PTSILUKPRJUHLX-LBPRGKRZSA-N 1 2 387.311 2.074 20 0 GEADLO CNC(=O)C[N@H+]1CCCN([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000368830312 647765902 /nfs/dbraw/zinc/76/59/02/647765902.db2.gz PTSILUKPRJUHLX-LBPRGKRZSA-N 1 2 387.311 2.074 20 0 GEADLO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc(Br)cc2O)CC1 ZINC000369389472 647776159 /nfs/dbraw/zinc/77/61/59/647776159.db2.gz PKPWGKHALDMUGJ-UHFFFAOYSA-N 1 2 379.258 2.287 20 0 GEADLO CN1CCC2(CC[NH+](CC(=O)Nc3ccc(Br)cc3F)CC2)C1=O ZINC000373188393 647810578 /nfs/dbraw/zinc/81/05/78/647810578.db2.gz VLVXNAACMQNEQP-UHFFFAOYSA-N 1 2 398.276 2.471 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000373209720 647811545 /nfs/dbraw/zinc/81/15/45/647811545.db2.gz DDNLMXZCOLTTBG-UHFFFAOYSA-N 1 2 377.794 2.253 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000373209720 647811547 /nfs/dbraw/zinc/81/15/47/647811547.db2.gz DDNLMXZCOLTTBG-UHFFFAOYSA-N 1 2 377.794 2.253 20 0 GEADLO O=C(c1ccccc1I)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374333832 647821534 /nfs/dbraw/zinc/82/15/34/647821534.db2.gz UAUYHWRGMWKBHW-OAHLLOKOSA-N 1 2 393.228 2.473 20 0 GEADLO Brc1cnn(CC2CC[NH+](Cc3nnc4n3CCCC4)CC2)c1 ZINC000374647163 647824360 /nfs/dbraw/zinc/82/43/60/647824360.db2.gz NBOZLFPFFYSJME-UHFFFAOYSA-N 1 2 379.306 2.486 20 0 GEADLO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC000376933697 647850558 /nfs/dbraw/zinc/85/05/58/647850558.db2.gz PIYQFIOYAALCFC-CZUORRHYSA-N 1 2 384.929 2.445 20 0 GEADLO C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC000376933697 647850561 /nfs/dbraw/zinc/85/05/61/647850561.db2.gz PIYQFIOYAALCFC-CZUORRHYSA-N 1 2 384.929 2.445 20 0 GEADLO O=C(C[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1)N1CCNC1=O ZINC000377526273 647861811 /nfs/dbraw/zinc/86/18/11/647861811.db2.gz SLVXTWUJMHDZSX-UHFFFAOYSA-N 1 2 376.869 2.373 20 0 GEADLO O=C(C[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1)N1CCNC1=O ZINC000377526273 647861814 /nfs/dbraw/zinc/86/18/14/647861814.db2.gz SLVXTWUJMHDZSX-UHFFFAOYSA-N 1 2 376.869 2.373 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000378482596 647882238 /nfs/dbraw/zinc/88/22/38/647882238.db2.gz FDLQGIQIWDZDRG-NFAWXSAZSA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000378482596 647882242 /nfs/dbraw/zinc/88/22/42/647882242.db2.gz FDLQGIQIWDZDRG-NFAWXSAZSA-N 1 2 392.279 2.386 20 0 GEADLO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC(n2ccnn2)C1 ZINC000378548129 647884053 /nfs/dbraw/zinc/88/40/53/647884053.db2.gz ZFWYVGNYVKAOLB-MRXNPFEDSA-N 1 2 390.285 2.261 20 0 GEADLO OC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2I)CC[C@@H]1O ZINC000405228670 647909075 /nfs/dbraw/zinc/90/90/75/647909075.db2.gz UWSQOKFEYWSAGE-GWCFXTLKSA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2I)CC[C@@H]1O ZINC000405228670 647909088 /nfs/dbraw/zinc/90/90/88/647909088.db2.gz UWSQOKFEYWSAGE-GWCFXTLKSA-N 1 2 381.641 2.120 20 0 GEADLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000408181253 647933716 /nfs/dbraw/zinc/93/37/16/647933716.db2.gz BBNGLEHNYOZROL-OLZOCXBDSA-N 1 2 386.901 2.359 20 0 GEADLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000408181253 647933732 /nfs/dbraw/zinc/93/37/32/647933732.db2.gz BBNGLEHNYOZROL-OLZOCXBDSA-N 1 2 386.901 2.359 20 0 GEADLO Cc1nc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c(Br)s1 ZINC000408466513 647955931 /nfs/dbraw/zinc/95/59/31/647955931.db2.gz LQTXUPIEZJBTRJ-UHFFFAOYSA-N 1 2 382.287 2.275 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409460461 647962171 /nfs/dbraw/zinc/96/21/71/647962171.db2.gz FYOCVRNNXGOJBH-XVSDVWIESA-N 1 2 393.325 2.490 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000409598993 647972022 /nfs/dbraw/zinc/97/20/22/647972022.db2.gz ZDAAIBDQRCMZHZ-UHFFFAOYSA-N 1 2 391.331 2.314 20 0 GEADLO CN(C)C(=O)[C@H]1CC[N@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000411949877 648038631 /nfs/dbraw/zinc/03/86/31/648038631.db2.gz VVOGPFCWDLFEKL-ZDUSSCGKSA-N 1 2 393.285 2.333 20 0 GEADLO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000411949877 648038635 /nfs/dbraw/zinc/03/86/35/648038635.db2.gz VVOGPFCWDLFEKL-ZDUSSCGKSA-N 1 2 393.285 2.333 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCSC2(CCC2)CC1 ZINC000413159970 648061181 /nfs/dbraw/zinc/06/11/81/648061181.db2.gz LOIMZTGYXRXYDF-KRWDZBQOSA-N 1 2 385.599 2.266 20 0 GEADLO C[C@H](CNc1cc(NC[C@H](C)O)[nH+]cn1)Oc1ccccc1Br ZINC000413180932 648062049 /nfs/dbraw/zinc/06/20/49/648062049.db2.gz YOBAXYLHXFMHJY-NWDGAFQWSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@H](CNc1cc(NC[C@H](C)O)nc[nH+]1)Oc1ccccc1Br ZINC000413180932 648062056 /nfs/dbraw/zinc/06/20/56/648062056.db2.gz YOBAXYLHXFMHJY-NWDGAFQWSA-N 1 2 381.274 2.911 20 0 GEADLO C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(Br)cn1 ZINC000413502211 648068461 /nfs/dbraw/zinc/06/84/61/648068461.db2.gz JSATZJYGMYTPFS-GFCCVEGCSA-N 1 2 385.306 2.315 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1Cl ZINC000416662196 648205514 /nfs/dbraw/zinc/20/55/14/648205514.db2.gz KNVTWUBRBIJXJW-GHMZBOCLSA-N 1 2 397.324 2.078 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1Cl ZINC000416662196 648205516 /nfs/dbraw/zinc/20/55/16/648205516.db2.gz KNVTWUBRBIJXJW-GHMZBOCLSA-N 1 2 397.324 2.078 20 0 GEADLO Cc1nc(CNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)sc1Br ZINC000418232294 648289057 /nfs/dbraw/zinc/28/90/57/648289057.db2.gz CZVAHERGFNIIHZ-QMMMGPOBSA-N 1 2 383.262 2.258 20 0 GEADLO COC(=O)CNC(=O)[C@H]1CCCN1c1[nH+]ccc2cc(Br)ccc21 ZINC000419031959 648329028 /nfs/dbraw/zinc/32/90/28/648329028.db2.gz VGBHWTOALGXJHV-CQSZACIVSA-N 1 2 392.253 2.255 20 0 GEADLO CO[C@@H](CC(C)C)CS(=O)(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000420681029 648434336 /nfs/dbraw/zinc/43/43/36/648434336.db2.gz YKCKEXYSAOGAIE-SJORKVTESA-N 1 2 376.563 2.000 20 0 GEADLO COc1cc(CNC(=O)[C@H]([NH3+])c2cscn2)ccc1OCC(F)(F)F ZINC000422971171 648579476 /nfs/dbraw/zinc/57/94/76/648579476.db2.gz ICOFVDADYIXDGM-CYBMUJFWSA-N 1 2 375.372 2.409 20 0 GEADLO Cc1cc(F)c(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c(F)c1 ZINC000425167311 648666760 /nfs/dbraw/zinc/66/67/60/648666760.db2.gz JOIWGHHTOYCFAL-UHFFFAOYSA-N 1 2 376.469 2.252 20 0 GEADLO COCCCS(=O)(=O)N1CC[NH+](CCSc2ccc(C)c(C)c2)CC1 ZINC000432039835 648773718 /nfs/dbraw/zinc/77/37/18/648773718.db2.gz LRRLZKOENKOZIZ-UHFFFAOYSA-N 1 2 386.583 2.379 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000432040297 648773841 /nfs/dbraw/zinc/77/38/41/648773841.db2.gz ZVHSHFGKTQCAIN-UHFFFAOYSA-N 1 2 384.318 2.356 20 0 GEADLO Cc1csc(NC(=O)C[NH2+][C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)n1 ZINC000435894831 648789250 /nfs/dbraw/zinc/78/92/50/648789250.db2.gz XLCREPKPXRSQMG-XJKSGUPXSA-N 1 2 381.523 2.462 20 0 GEADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000441576522 648832600 /nfs/dbraw/zinc/83/26/00/648832600.db2.gz ZOTLEPPWDKVTBX-UHFFFAOYSA-N 1 2 381.205 2.150 20 0 GEADLO O=C(CNC(=O)c1ccsc1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443565753 648881814 /nfs/dbraw/zinc/88/18/14/648881814.db2.gz IPVQKESKAWLNHN-UHFFFAOYSA-N 1 2 377.897 2.306 20 0 GEADLO O=C(CNC(=O)c1ccsc1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443565753 648881815 /nfs/dbraw/zinc/88/18/15/648881815.db2.gz IPVQKESKAWLNHN-UHFFFAOYSA-N 1 2 377.897 2.306 20 0 GEADLO C[C@@](O)(CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(F)(F)F ZINC000443578797 648882118 /nfs/dbraw/zinc/88/21/18/648882118.db2.gz QUBCSFXHNRUNSY-OAHLLOKOSA-N 1 2 379.810 2.311 20 0 GEADLO C[C@@](O)(CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C(F)(F)F ZINC000443578797 648882119 /nfs/dbraw/zinc/88/21/19/648882119.db2.gz QUBCSFXHNRUNSY-OAHLLOKOSA-N 1 2 379.810 2.311 20 0 GEADLO CNC(=O)CCCCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000548332899 651077277 /nfs/dbraw/zinc/07/72/77/651077277.db2.gz JXSUWKWVMDELKW-UHFFFAOYSA-N 1 2 395.301 2.370 20 0 GEADLO O=C(NCCNc1cccc(Br)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548661105 651082699 /nfs/dbraw/zinc/08/26/99/651082699.db2.gz POQQBOGYAXITDN-AWEZNQCLSA-N 1 2 378.274 2.372 20 0 GEADLO CC[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CCS1 ZINC000550421095 651111146 /nfs/dbraw/zinc/11/11/46/651111146.db2.gz NMYCIUQGCRMCNJ-CZUORRHYSA-N 1 2 383.945 2.413 20 0 GEADLO O=C(NCCn1cc[nH+]c1)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000550593349 651113078 /nfs/dbraw/zinc/11/30/78/651113078.db2.gz YQTVPYWZLZCXTA-UHFFFAOYSA-N 1 2 376.722 2.190 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cccc(Br)c1)C2 ZINC000552007817 651137657 /nfs/dbraw/zinc/13/76/57/651137657.db2.gz NCDFDWKKAXTAAJ-CQSZACIVSA-N 1 2 378.270 2.234 20 0 GEADLO Cn1cc(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)c(-c2cccs2)n1 ZINC000552083603 651139562 /nfs/dbraw/zinc/13/95/62/651139562.db2.gz ORIBOYNQLQFHED-UHFFFAOYSA-N 1 2 376.507 2.428 20 0 GEADLO Cn1cc(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)c(-c2cccs2)n1 ZINC000552083603 651139563 /nfs/dbraw/zinc/13/95/63/651139563.db2.gz ORIBOYNQLQFHED-UHFFFAOYSA-N 1 2 376.507 2.428 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc(Br)ccc1F)C2 ZINC000552157850 651141831 /nfs/dbraw/zinc/14/18/31/651141831.db2.gz JYFDGPGUGAJPAP-GFCCVEGCSA-N 1 2 396.260 2.373 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000555099516 651218027 /nfs/dbraw/zinc/21/80/27/651218027.db2.gz KOSLVKNVVZPBNQ-CQSZACIVSA-N 1 2 399.314 2.077 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000555099514 651218165 /nfs/dbraw/zinc/21/81/65/651218165.db2.gz KOSLVKNVVZPBNQ-AWEZNQCLSA-N 1 2 399.314 2.077 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000558964011 651288775 /nfs/dbraw/zinc/28/87/75/651288775.db2.gz CYNKRNBMKDEUIL-SECBINFHSA-N 1 2 385.649 2.442 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cc(N(C)C)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000559581443 651298047 /nfs/dbraw/zinc/29/80/47/651298047.db2.gz FUSQUGRFQCUHFI-CHWSQXEVSA-N 1 2 384.318 2.354 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000559629739 651299277 /nfs/dbraw/zinc/29/92/77/651299277.db2.gz BKQVFTZRQIADGV-LBPRGKRZSA-N 1 2 381.263 2.359 20 0 GEADLO CN1C[C@@H]([N@H+](C)CC(=O)Nc2c(F)cc(F)cc2Br)CCC1=O ZINC000559636265 651299609 /nfs/dbraw/zinc/29/96/09/651299609.db2.gz IZXQVDHLONAFNH-JTQLQIEISA-N 1 2 390.228 2.218 20 0 GEADLO CN1C[C@@H]([N@@H+](C)CC(=O)Nc2c(F)cc(F)cc2Br)CCC1=O ZINC000559636265 651299612 /nfs/dbraw/zinc/29/96/12/651299612.db2.gz IZXQVDHLONAFNH-JTQLQIEISA-N 1 2 390.228 2.218 20 0 GEADLO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C[NH+]1CCOCC1 ZINC000560024783 651303715 /nfs/dbraw/zinc/30/37/15/651303715.db2.gz HZUYWKYJBZLLSZ-LLVKDONJSA-N 1 2 384.395 2.091 20 0 GEADLO C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C1(S(C)(=O)=O)CC1 ZINC000561921954 651485556 /nfs/dbraw/zinc/48/55/56/651485556.db2.gz CNPMWVDFBKEMOW-WFASDCNBSA-N 1 2 387.933 2.208 20 0 GEADLO COCCS(=O)(=O)CCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000727828506 651530707 /nfs/dbraw/zinc/53/07/07/651530707.db2.gz RHRAZJKHIZJJRJ-JKSUJKDBSA-N 1 2 396.336 2.335 20 0 GEADLO COCCS(=O)(=O)CCC[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000727828506 651530714 /nfs/dbraw/zinc/53/07/14/651530714.db2.gz RHRAZJKHIZJJRJ-JKSUJKDBSA-N 1 2 396.336 2.335 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000563972894 651549065 /nfs/dbraw/zinc/54/90/65/651549065.db2.gz OXXRLDCDPPVGNV-OAHLLOKOSA-N 1 2 385.302 2.291 20 0 GEADLO O=C(NCc1n[nH]cc1Br)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000606488302 651555861 /nfs/dbraw/zinc/55/58/61/651555861.db2.gz LBGHKSQQMVBLTI-UHFFFAOYSA-N 1 2 389.257 2.416 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000606751706 651558746 /nfs/dbraw/zinc/55/87/46/651558746.db2.gz DJIHSORHHSGDPB-UHFFFAOYSA-N 1 2 379.463 2.237 20 0 GEADLO COc1c(Br)ccc(C)c1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000644674488 651562952 /nfs/dbraw/zinc/56/29/52/651562952.db2.gz BQMMEJLSQKNXPK-CYBMUJFWSA-N 1 2 383.286 2.313 20 0 GEADLO O=C1CCCN1C1CC[NH+](Cn2c(=O)oc3cc(Br)ccc32)CC1 ZINC000729467331 651569289 /nfs/dbraw/zinc/56/92/89/651569289.db2.gz ACVFNHZFRNTZST-UHFFFAOYSA-N 1 2 394.269 2.401 20 0 GEADLO O=C(NCCn1cc[nH+]c1)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000729582237 651572051 /nfs/dbraw/zinc/57/20/51/651572051.db2.gz WWZNFUSBQYVBGD-CQSZACIVSA-N 1 2 376.766 2.286 20 0 GEADLO C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ncc(Br)cn1 ZINC000644904853 651576658 /nfs/dbraw/zinc/57/66/58/651576658.db2.gz UDSKJNNTEBPIHA-YPMHNXCESA-N 1 2 391.273 2.273 20 0 GEADLO C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ncc(Br)cn1 ZINC000644904851 651576896 /nfs/dbraw/zinc/57/68/96/651576896.db2.gz UDSKJNNTEBPIHA-DGCLKSJQSA-N 1 2 391.273 2.273 20 0 GEADLO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000566223540 651604180 /nfs/dbraw/zinc/60/41/80/651604180.db2.gz PCQNYXPCMMCFKG-SECBINFHSA-N 1 2 376.759 2.169 20 0 GEADLO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCCS1(=O)=O ZINC000567625045 651630780 /nfs/dbraw/zinc/63/07/80/651630780.db2.gz CMKBSPLFMMGNLX-KRWDZBQOSA-N 1 2 384.929 2.245 20 0 GEADLO CSC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000567643302 651632235 /nfs/dbraw/zinc/63/22/35/651632235.db2.gz QAGZWGCYHTXJHN-LSDHHAIUSA-N 1 2 381.929 2.213 20 0 GEADLO CSC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000567643302 651632238 /nfs/dbraw/zinc/63/22/38/651632238.db2.gz QAGZWGCYHTXJHN-LSDHHAIUSA-N 1 2 381.929 2.213 20 0 GEADLO COc1ncc(S(=O)(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1Cl ZINC000645711108 651641579 /nfs/dbraw/zinc/64/15/79/651641579.db2.gz QLBDPVBFHNHGOS-UHFFFAOYSA-N 1 2 381.885 2.249 20 0 GEADLO COc1ncc(S(=O)(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc1Cl ZINC000645711108 651641581 /nfs/dbraw/zinc/64/15/81/651641581.db2.gz QLBDPVBFHNHGOS-UHFFFAOYSA-N 1 2 381.885 2.249 20 0 GEADLO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000567967370 651641903 /nfs/dbraw/zinc/64/19/03/651641903.db2.gz LWJCIRRTXZIJJG-CYBMUJFWSA-N 1 2 381.885 2.079 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000645770548 651648331 /nfs/dbraw/zinc/64/83/31/651648331.db2.gz VKWJGLKATVEQPH-HNNXBMFYSA-N 1 2 382.302 2.062 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000568202346 651656181 /nfs/dbraw/zinc/65/61/81/651656181.db2.gz KWBYRIZGLVMIRC-OAHLLOKOSA-N 1 2 383.286 2.463 20 0 GEADLO O=C([C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1)N1CCCC1 ZINC000732412548 651657576 /nfs/dbraw/zinc/65/75/76/651657576.db2.gz NPBPFOOQAARRHE-OAHLLOKOSA-N 1 2 384.929 2.448 20 0 GEADLO O=C([C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1)N1CCCC1 ZINC000732412548 651657581 /nfs/dbraw/zinc/65/75/81/651657581.db2.gz NPBPFOOQAARRHE-OAHLLOKOSA-N 1 2 384.929 2.448 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000732457649 651657996 /nfs/dbraw/zinc/65/79/96/651657996.db2.gz JNQMBXUFULTDDZ-ABAIWWIYSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CCO1 ZINC000732457649 651657999 /nfs/dbraw/zinc/65/79/99/651657999.db2.gz JNQMBXUFULTDDZ-ABAIWWIYSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)C1 ZINC000568666755 651675616 /nfs/dbraw/zinc/67/56/16/651675616.db2.gz ZZSWSHVAZUZHOA-ZQIUZPCESA-N 1 2 384.929 2.302 20 0 GEADLO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)C1 ZINC000568666755 651675621 /nfs/dbraw/zinc/67/56/21/651675621.db2.gz ZZSWSHVAZUZHOA-ZQIUZPCESA-N 1 2 384.929 2.302 20 0 GEADLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)Cc1cn[nH]c1 ZINC000610662079 651676316 /nfs/dbraw/zinc/67/63/16/651676316.db2.gz AOUFHIPNGWKJOK-SNVBAGLBSA-N 1 2 384.221 2.473 20 0 GEADLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)Cc1cn[nH]c1 ZINC000610662079 651676319 /nfs/dbraw/zinc/67/63/19/651676319.db2.gz AOUFHIPNGWKJOK-SNVBAGLBSA-N 1 2 384.221 2.473 20 0 GEADLO O=C(Nc1cc(I)ccc1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000610987195 651696502 /nfs/dbraw/zinc/69/65/02/651696502.db2.gz XJYUJISWJTXQAH-SECBINFHSA-N 1 2 383.189 2.394 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000569416737 651712440 /nfs/dbraw/zinc/71/24/40/651712440.db2.gz CXPBJMAISKUJAE-MRXNPFEDSA-N 1 2 383.279 2.417 20 0 GEADLO COc1ncncc1C[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000647201959 651736151 /nfs/dbraw/zinc/73/61/51/651736151.db2.gz HMCKWPKIELPZAY-OAHLLOKOSA-N 1 2 391.269 2.451 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)c(F)cc1Br ZINC000647312309 651743455 /nfs/dbraw/zinc/74/34/55/651743455.db2.gz FHAGCHWSPZJIEP-CYBMUJFWSA-N 1 2 383.258 2.219 20 0 GEADLO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000647312225 651743496 /nfs/dbraw/zinc/74/34/96/651743496.db2.gz QPOLRFVMVPDAJI-CQSZACIVSA-N 1 2 395.294 2.170 20 0 GEADLO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000647335282 651744637 /nfs/dbraw/zinc/74/46/37/651744637.db2.gz VUJKETKRFFRTSA-VCTAVGKDSA-N 1 2 381.274 2.403 20 0 GEADLO O=C(c1snnc1C1CC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000570090576 651746157 /nfs/dbraw/zinc/74/61/57/651746157.db2.gz TVULZRCQWQJADZ-UHFFFAOYSA-N 1 2 378.420 2.142 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000570102705 651747341 /nfs/dbraw/zinc/74/73/41/651747341.db2.gz SAHWMTCSMVDOIM-WCQYABFASA-N 1 2 389.253 2.203 20 0 GEADLO C[C@@H](CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)n1cc(Br)cn1 ZINC000648335164 651779428 /nfs/dbraw/zinc/77/94/28/651779428.db2.gz IXUCINIXIUKENI-JSGCOSHPSA-N 1 2 378.274 2.387 20 0 GEADLO CN(C)C(=O)C[NH+]1CCN(Cc2ccnc3c(Br)cccc23)CC1 ZINC000648350409 651781407 /nfs/dbraw/zinc/78/14/07/651781407.db2.gz WYGDYUANTQEDLM-UHFFFAOYSA-N 1 2 391.313 2.203 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc(-c2cccs2)n[nH]1 ZINC000613682287 651792427 /nfs/dbraw/zinc/79/24/27/651792427.db2.gz JCBMGICABLTMPE-KRWDZBQOSA-N 1 2 378.523 2.076 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000648771166 651801120 /nfs/dbraw/zinc/80/11/20/651801120.db2.gz GHTNMIZZVPHDJR-GHMZBOCLSA-N 1 2 389.265 2.436 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000571069464 651809673 /nfs/dbraw/zinc/80/96/73/651809673.db2.gz BDSOCDWISNGHGD-UHFFFAOYSA-N 1 2 378.226 2.311 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2cc(Br)co2)cn1 ZINC000571171807 651814927 /nfs/dbraw/zinc/81/49/27/651814927.db2.gz YJHJFOPIPYDKSM-UHFFFAOYSA-N 1 2 378.230 2.315 20 0 GEADLO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000571208270 651817492 /nfs/dbraw/zinc/81/74/92/651817492.db2.gz MYYBBYMQIGDKSB-WDEREUQCSA-N 1 2 383.499 2.191 20 0 GEADLO O=C([C@H](O)C1CC1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000614440266 651827797 /nfs/dbraw/zinc/82/77/97/651827797.db2.gz IWRKPMVELRACQL-MRXNPFEDSA-N 1 2 378.270 2.445 20 0 GEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(Br)cc2c1OCCO2 ZINC000614701495 651833986 /nfs/dbraw/zinc/83/39/86/651833986.db2.gz WBQLTMSBKQXAGI-LLVKDONJSA-N 1 2 378.226 2.162 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000649975103 651838389 /nfs/dbraw/zinc/83/83/89/651838389.db2.gz NSUDMSLCZUMHHP-ZFWWWQNUSA-N 1 2 397.313 2.494 20 0 GEADLO CSc1cc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nc(SC)n1 ZINC000571581138 651841537 /nfs/dbraw/zinc/84/15/37/651841537.db2.gz ICMHUZFLSGETTO-ZDUSSCGKSA-N 1 2 381.571 2.053 20 0 GEADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615126915 651849944 /nfs/dbraw/zinc/84/99/44/651849944.db2.gz NEMHEPKKPJNZGP-WFASDCNBSA-N 1 2 391.269 2.283 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615127746 651850729 /nfs/dbraw/zinc/85/07/29/651850729.db2.gz JTTILYDTHFKRAT-SMDDNHRTSA-N 1 2 379.258 2.426 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000615127746 651850734 /nfs/dbraw/zinc/85/07/34/651850734.db2.gz JTTILYDTHFKRAT-SMDDNHRTSA-N 1 2 379.258 2.426 20 0 GEADLO C[NH+](C)[C@@H](C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Cl)cc1 ZINC000571772768 651852934 /nfs/dbraw/zinc/85/29/34/651852934.db2.gz LQFJJDJIMCRBRT-QWHCGFSZSA-N 1 2 377.794 2.222 20 0 GEADLO O=C(Nc1c[nH+]ccc1-n1ccnn1)c1cc2c(c(Br)c1)OCO2 ZINC000571838236 651856449 /nfs/dbraw/zinc/85/64/49/651856449.db2.gz GPWDQPZNLIIDBK-UHFFFAOYSA-N 1 2 388.181 2.406 20 0 GEADLO O=c1ccc(Br)cn1CCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000571868925 651858414 /nfs/dbraw/zinc/85/84/14/651858414.db2.gz CHDGBZXTBKVRBN-UHFFFAOYSA-N 1 2 396.314 2.066 20 0 GEADLO O=c1ccc(Br)cn1CCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000571868925 651858416 /nfs/dbraw/zinc/85/84/16/651858416.db2.gz CHDGBZXTBKVRBN-UHFFFAOYSA-N 1 2 396.314 2.066 20 0 GEADLO O=C(c1cn2ccc(Br)cc2n1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615532815 651865694 /nfs/dbraw/zinc/86/56/94/651865694.db2.gz CARMHZGQNQNJQO-AWEZNQCLSA-N 1 2 393.285 2.034 20 0 GEADLO COc1ccc(OCC[N@H+](C)Cn2cc(I)cn2)cc1 ZINC000738017586 651875994 /nfs/dbraw/zinc/87/59/94/651875994.db2.gz SILLNMKLPUVBCW-UHFFFAOYSA-N 1 2 387.221 2.465 20 0 GEADLO COc1ccc(OCC[N@@H+](C)Cn2cc(I)cn2)cc1 ZINC000738017586 651875997 /nfs/dbraw/zinc/87/59/97/651875997.db2.gz SILLNMKLPUVBCW-UHFFFAOYSA-N 1 2 387.221 2.465 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651261291 651877543 /nfs/dbraw/zinc/87/75/43/651877543.db2.gz XOHJEQNYECMNAT-JSGCOSHPSA-N 1 2 383.286 2.152 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651261291 651877547 /nfs/dbraw/zinc/87/75/47/651877547.db2.gz XOHJEQNYECMNAT-JSGCOSHPSA-N 1 2 383.286 2.152 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000572340852 651886228 /nfs/dbraw/zinc/88/62/28/651886228.db2.gz WSMGCDOKMRFBIS-UHFFFAOYSA-N 1 2 382.555 2.485 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1Br)NCCn1cc[nH+]c1 ZINC000572359471 651887343 /nfs/dbraw/zinc/88/73/43/651887343.db2.gz JXGYGRHSSGYYIA-UHFFFAOYSA-N 1 2 378.679 2.419 20 0 GEADLO Cc1cc(Br)sc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000651652570 651893856 /nfs/dbraw/zinc/89/38/56/651893856.db2.gz JMHDVVODKCWYNM-VIFPVBQESA-N 1 2 376.301 2.309 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2cc(OC)ccc2Cl)C(C)(C)C1 ZINC000651901007 651899703 /nfs/dbraw/zinc/89/97/03/651899703.db2.gz SVHFXXWCPZWRLC-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2cc(OC)ccc2Cl)C(C)(C)C1 ZINC000651901007 651899708 /nfs/dbraw/zinc/89/97/08/651899708.db2.gz SVHFXXWCPZWRLC-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2OC)C(C)(C)C1 ZINC000651901359 651899937 /nfs/dbraw/zinc/89/99/37/651899937.db2.gz IOKRKMPWHLBIKD-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2OC)C(C)(C)C1 ZINC000651901359 651899938 /nfs/dbraw/zinc/89/99/38/651899938.db2.gz IOKRKMPWHLBIKD-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C(C)(C)C1 ZINC000651902390 651900384 /nfs/dbraw/zinc/90/03/84/651900384.db2.gz JNZSDKQUOVQIHP-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C(C)(C)C1 ZINC000651902390 651900392 /nfs/dbraw/zinc/90/03/92/651900392.db2.gz JNZSDKQUOVQIHP-UHFFFAOYSA-N 1 2 380.432 2.437 20 0 GEADLO C[C@](CO)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000616831955 651913295 /nfs/dbraw/zinc/91/32/95/651913295.db2.gz OZCBPQNXTRXZBZ-YVEFUNNKSA-N 1 2 378.270 2.232 20 0 GEADLO C[C@@H](CC(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O)n1cc[nH+]c1 ZINC000572966786 651926135 /nfs/dbraw/zinc/92/61/35/651926135.db2.gz HKZQZIHJKWAGSS-FZMZJTMJSA-N 1 2 377.242 2.128 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000653001956 651931928 /nfs/dbraw/zinc/93/19/28/651931928.db2.gz KQHNQLCNDPCJTM-UHFFFAOYSA-N 1 2 389.265 2.009 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000573217508 651941974 /nfs/dbraw/zinc/94/19/74/651941974.db2.gz IDWNNNGWYHZCQI-JTQLQIEISA-N 1 2 380.242 2.438 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000573217508 651941980 /nfs/dbraw/zinc/94/19/80/651941980.db2.gz IDWNNNGWYHZCQI-JTQLQIEISA-N 1 2 380.242 2.438 20 0 GEADLO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000741256392 651942763 /nfs/dbraw/zinc/94/27/63/651942763.db2.gz QYVDEBDHVBFFRW-SJORKVTESA-N 1 2 387.929 2.366 20 0 GEADLO Cn1cnnc1N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000653820539 651956785 /nfs/dbraw/zinc/95/67/85/651956785.db2.gz NIUNHUYBGSMFBF-UHFFFAOYSA-N 1 2 387.285 2.448 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617721212 651966511 /nfs/dbraw/zinc/96/65/11/651966511.db2.gz MOZZNMIINGOBNS-QWRGUYRKSA-N 1 2 389.265 2.436 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617721212 651966514 /nfs/dbraw/zinc/96/65/14/651966514.db2.gz MOZZNMIINGOBNS-QWRGUYRKSA-N 1 2 389.265 2.436 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617733966 651969062 /nfs/dbraw/zinc/96/90/62/651969062.db2.gz YFZSIUZGHALTDW-BFHYXJOUSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617733966 651969064 /nfs/dbraw/zinc/96/90/64/651969064.db2.gz YFZSIUZGHALTDW-BFHYXJOUSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)CSc2ccc(C(F)(F)F)cn2)[C@H](C)CO1 ZINC000617743408 651969650 /nfs/dbraw/zinc/96/96/50/651969650.db2.gz JEXJTCMGGLOOGB-VXGBXAGGSA-N 1 2 377.432 2.418 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)CSc2ccc(C(F)(F)F)cn2)[C@H](C)CO1 ZINC000617743408 651969654 /nfs/dbraw/zinc/96/96/54/651969654.db2.gz JEXJTCMGGLOOGB-VXGBXAGGSA-N 1 2 377.432 2.418 20 0 GEADLO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2nnc(C3CCOCC3)s2)cc1 ZINC000573654143 651971307 /nfs/dbraw/zinc/97/13/07/651971307.db2.gz IWQXRQORSTYTEU-UHFFFAOYSA-N 1 2 382.511 2.295 20 0 GEADLO N=C1NC(=O)[C@@H](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)S1 ZINC000742481722 651989759 /nfs/dbraw/zinc/98/97/59/651989759.db2.gz ANPXJUZLAUAVES-ZIAGYGMSSA-N 1 2 380.901 2.150 20 0 GEADLO N=C1NC(=O)C(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)S1 ZINC000742481722 651989762 /nfs/dbraw/zinc/98/97/62/651989762.db2.gz ANPXJUZLAUAVES-ZIAGYGMSSA-N 1 2 380.901 2.150 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)C[C@H]1SC(=N)NC1=O)c1ccccc1Cl ZINC000742512495 651990619 /nfs/dbraw/zinc/99/06/19/651990619.db2.gz YHSZKNUVQARVRB-ZIAGYGMSSA-N 1 2 382.917 2.396 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)CC1SC(=N)NC1=O)c1ccccc1Cl ZINC000742512495 651990640 /nfs/dbraw/zinc/99/06/40/651990640.db2.gz YHSZKNUVQARVRB-ZIAGYGMSSA-N 1 2 382.917 2.396 20 0 GEADLO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+][C@@H](Cc1ccccc1)C(F)F ZINC000574184618 652006876 /nfs/dbraw/zinc/00/68/76/652006876.db2.gz MNFVVFJIKSTCAE-HOTGVXAUSA-N 1 2 375.485 2.113 20 0 GEADLO CCC(CC)(CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)SC ZINC000743557230 652022818 /nfs/dbraw/zinc/02/28/18/652022818.db2.gz OMBNOFZBIRMRGU-MRXNPFEDSA-N 1 2 375.604 2.415 20 0 GEADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000574637396 652033320 /nfs/dbraw/zinc/03/33/20/652033320.db2.gz ARINEOHQCQKUSY-CQSZACIVSA-N 1 2 389.308 2.203 20 0 GEADLO NC(=O)c1csc(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)n1 ZINC000656717487 652048738 /nfs/dbraw/zinc/04/87/38/652048738.db2.gz XIKIZAHAWLXCNK-QMMMGPOBSA-N 1 2 376.265 2.078 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)c1 ZINC000574901826 652051127 /nfs/dbraw/zinc/05/11/27/652051127.db2.gz MXAZEEOANFVFCR-UHFFFAOYSA-N 1 2 376.254 2.142 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@@H](C)C[N@@H+]1C ZINC000656950005 652073376 /nfs/dbraw/zinc/07/33/76/652073376.db2.gz XSKGUDWACOBYBF-MNOVXSKESA-N 1 2 379.295 2.442 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@@H](C)C[N@H+]1C ZINC000656950005 652073382 /nfs/dbraw/zinc/07/33/82/652073382.db2.gz XSKGUDWACOBYBF-MNOVXSKESA-N 1 2 379.295 2.442 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)Cc2cc(F)ccc2Br)CC[N@H+]1C ZINC000656954068 652074406 /nfs/dbraw/zinc/07/44/06/652074406.db2.gz YHVZHDLRBKBXLN-MNOVXSKESA-N 1 2 379.295 2.442 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)Cc2cc(F)ccc2Br)CC[N@@H+]1C ZINC000656954068 652074409 /nfs/dbraw/zinc/07/44/09/652074409.db2.gz YHVZHDLRBKBXLN-MNOVXSKESA-N 1 2 379.295 2.442 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCS(=O)(=O)CC3(C)C)c[nH+]c12 ZINC000575749020 652075097 /nfs/dbraw/zinc/07/50/97/652075097.db2.gz LCHUFJMKVPTVOU-UHFFFAOYSA-N 1 2 386.315 2.414 20 0 GEADLO CC(=O)N1CCc2sc(S(=O)(=O)NCc3c[nH+]c(C)cc3C)cc2C1 ZINC000657007908 652085152 /nfs/dbraw/zinc/08/51/52/652085152.db2.gz WFUMYWCIWULLNL-UHFFFAOYSA-N 1 2 379.507 2.143 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000657060928 652098140 /nfs/dbraw/zinc/09/81/40/652098140.db2.gz KAZSKWGQNDJBOV-CQSZACIVSA-N 1 2 388.555 2.021 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000657060928 652098146 /nfs/dbraw/zinc/09/81/46/652098146.db2.gz KAZSKWGQNDJBOV-CQSZACIVSA-N 1 2 388.555 2.021 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)[C@H](C[C@H]3COCCO3)C(F)(F)F)sc2C1 ZINC000621277198 652141091 /nfs/dbraw/zinc/14/10/91/652141091.db2.gz CPHVXORCUXLING-UWVGGRQHSA-N 1 2 379.404 2.054 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)[C@H](C[C@H]3COCCO3)C(F)(F)F)sc2C1 ZINC000621277198 652141096 /nfs/dbraw/zinc/14/10/96/652141096.db2.gz CPHVXORCUXLING-UWVGGRQHSA-N 1 2 379.404 2.054 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(c2nc3c(cccc3Br)s2)CC1 ZINC000621275634 652141364 /nfs/dbraw/zinc/14/13/64/652141364.db2.gz BEGZAHDBLZBKTN-UHFFFAOYSA-N 1 2 383.315 2.445 20 0 GEADLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2cncc(Br)c2)c1C ZINC000747852204 652182326 /nfs/dbraw/zinc/18/23/26/652182326.db2.gz ZTXCHLHEUOECFA-UHFFFAOYSA-N 1 2 386.271 2.343 20 0 GEADLO CC(C)N(C)C(=O)C1CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000577377339 652183250 /nfs/dbraw/zinc/18/32/50/652183250.db2.gz IJSOSYRYGMRAJB-UHFFFAOYSA-N 1 2 387.933 2.066 20 0 GEADLO C[C@@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)CS1(=O)=O ZINC000657638954 652183740 /nfs/dbraw/zinc/18/37/40/652183740.db2.gz NUHQWBAKANZSQE-NEPJUHHUSA-N 1 2 399.314 2.085 20 0 GEADLO C[N@H+](CCc1ccc(Br)cc1)Cc1nnnn1C1CCOCC1 ZINC000577453014 652189030 /nfs/dbraw/zinc/18/90/30/652189030.db2.gz GGNBPSSADHYSNH-UHFFFAOYSA-N 1 2 380.290 2.462 20 0 GEADLO C[N@@H+](CCc1ccc(Br)cc1)Cc1nnnn1C1CCOCC1 ZINC000577453014 652189037 /nfs/dbraw/zinc/18/90/37/652189037.db2.gz GGNBPSSADHYSNH-UHFFFAOYSA-N 1 2 380.290 2.462 20 0 GEADLO O=C([C@H]1CCCS1(=O)=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000577526622 652194700 /nfs/dbraw/zinc/19/47/00/652194700.db2.gz GAYGGWUXSBHLTL-QGZVFWFLSA-N 1 2 384.929 2.342 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000577598693 652200349 /nfs/dbraw/zinc/20/03/49/652200349.db2.gz XIAALKQKRVPTLY-ZDUSSCGKSA-N 1 2 385.917 2.167 20 0 GEADLO O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000577633690 652203231 /nfs/dbraw/zinc/20/32/31/652203231.db2.gz UHTGMDBJTLSIDL-JTQLQIEISA-N 1 2 389.649 2.330 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000748456356 652203686 /nfs/dbraw/zinc/20/36/86/652203686.db2.gz AIDRENKIYPSCJN-ABAIWWIYSA-N 1 2 389.279 2.435 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000748456356 652203693 /nfs/dbraw/zinc/20/36/93/652203693.db2.gz AIDRENKIYPSCJN-ABAIWWIYSA-N 1 2 389.279 2.435 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CO[C@H](C)C3)[nH+]c12 ZINC000577844350 652220926 /nfs/dbraw/zinc/22/09/26/652220926.db2.gz NXCIYCMESHHRKR-BXUZGUMPSA-N 1 2 381.274 2.424 20 0 GEADLO O=C(Cc1noc2ccc(Br)cc12)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623299261 652233811 /nfs/dbraw/zinc/23/38/11/652233811.db2.gz UXAAETBHCVFYJE-LLVKDONJSA-N 1 2 375.226 2.461 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(Br)c(F)c1F ZINC000623425127 652237196 /nfs/dbraw/zinc/23/71/96/652237196.db2.gz SDTXAJBOCLRMHK-JTQLQIEISA-N 1 2 392.244 2.247 20 0 GEADLO CCOC(=O)CC1(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000578098980 652243020 /nfs/dbraw/zinc/24/30/20/652243020.db2.gz WRHFADCOJURCDH-OAHLLOKOSA-N 1 2 388.917 2.348 20 0 GEADLO O=S(=O)(CCc1ccccc1Br)N[C@H]1CCn2cc[nH+]c2C1 ZINC000578270428 652257818 /nfs/dbraw/zinc/25/78/18/652257818.db2.gz DSUBZINSCDQNNT-ZDUSSCGKSA-N 1 2 384.299 2.123 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCC3CC(O)C3)[nH+]c12 ZINC000578836713 652297545 /nfs/dbraw/zinc/29/75/45/652297545.db2.gz ZVSGZLNILQRNFT-UHFFFAOYSA-N 1 2 395.301 2.408 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2OC)C1 ZINC000578871704 652300688 /nfs/dbraw/zinc/30/06/88/652300688.db2.gz XJERIHKTEUIHPM-LBPRGKRZSA-N 1 2 399.285 2.073 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2OC)C1 ZINC000578871704 652300693 /nfs/dbraw/zinc/30/06/93/652300693.db2.gz XJERIHKTEUIHPM-LBPRGKRZSA-N 1 2 399.285 2.073 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000578907970 652303193 /nfs/dbraw/zinc/30/31/93/652303193.db2.gz HBHVWVDKFPGWQU-UHFFFAOYSA-N 1 2 388.555 2.025 20 0 GEADLO C[C@@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)[C@@H]1OCCc2sccc21 ZINC000579189354 652323137 /nfs/dbraw/zinc/32/31/37/652323137.db2.gz DICRUFPSBJYYRF-DIFFPNOSSA-N 1 2 377.491 2.362 20 0 GEADLO O=C(NCc1sccc1Br)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000579625624 652348043 /nfs/dbraw/zinc/34/80/43/652348043.db2.gz IVGKSQHKDGAEJZ-UHFFFAOYSA-N 1 2 397.298 2.187 20 0 GEADLO COc1c(N)[nH+]cnc1NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000579731650 652351442 /nfs/dbraw/zinc/35/14/42/652351442.db2.gz NSUQPEAQIHZUJZ-LLVKDONJSA-N 1 2 378.274 2.768 20 0 GEADLO COc1c(N)nc[nH+]c1NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000579731650 652351447 /nfs/dbraw/zinc/35/14/47/652351447.db2.gz NSUQPEAQIHZUJZ-LLVKDONJSA-N 1 2 378.274 2.768 20 0 GEADLO NC(=O)CC1CC[NH+](CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000659844105 652367594 /nfs/dbraw/zinc/36/75/94/652367594.db2.gz IHEQXGKPPDEIEB-UHFFFAOYSA-N 1 2 379.258 2.096 20 0 GEADLO CC(=O)N(C)C1CC[NH+](CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000659861775 652368332 /nfs/dbraw/zinc/36/83/32/652368332.db2.gz HNRYKEQTILUJOT-UHFFFAOYSA-N 1 2 393.285 2.451 20 0 GEADLO NC(=O)c1cn(C2CC[NH+](Cc3ccc(Br)c(F)c3)CC2)nn1 ZINC000625806517 652372306 /nfs/dbraw/zinc/37/23/06/652372306.db2.gz HCKNTMWYNPJQMW-UHFFFAOYSA-N 1 2 382.237 2.116 20 0 GEADLO COc1c(N)[nH+]cnc1NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000580345879 652376801 /nfs/dbraw/zinc/37/68/01/652376801.db2.gz UZPSNAFCDGKFJW-LLVKDONJSA-N 1 2 378.274 2.768 20 0 GEADLO COc1c(N)nc[nH+]c1NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000580345879 652376805 /nfs/dbraw/zinc/37/68/05/652376805.db2.gz UZPSNAFCDGKFJW-LLVKDONJSA-N 1 2 378.274 2.768 20 0 GEADLO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCN(CCCF)CC1 ZINC000626070563 652381606 /nfs/dbraw/zinc/38/16/06/652381606.db2.gz SXBQSJQWKVTIKR-OAHLLOKOSA-N 1 2 393.272 2.305 20 0 GEADLO Cn1[nH]c([C@H]2CCC[N@@H+]2C[C@H](O)COc2c(Cl)cccc2Cl)nc1=N ZINC000580695788 652388845 /nfs/dbraw/zinc/38/88/45/652388845.db2.gz HVQPCXCGGQDOJV-GXFFZTMASA-N 1 2 386.283 2.111 20 0 GEADLO Cn1[nH]c([C@H]2CCC[N@H+]2C[C@H](O)COc2c(Cl)cccc2Cl)nc1=N ZINC000580695788 652388850 /nfs/dbraw/zinc/38/88/50/652388850.db2.gz HVQPCXCGGQDOJV-GXFFZTMASA-N 1 2 386.283 2.111 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000580891983 652395292 /nfs/dbraw/zinc/39/52/92/652395292.db2.gz WOPVTNPOQOQLLV-VIFPVBQESA-N 1 2 379.766 2.340 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000580891983 652395295 /nfs/dbraw/zinc/39/52/95/652395295.db2.gz WOPVTNPOQOQLLV-VIFPVBQESA-N 1 2 379.766 2.340 20 0 GEADLO CS(=O)(=O)CC[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000753243079 652401963 /nfs/dbraw/zinc/40/19/63/652401963.db2.gz XPQQSOVYMVGHKY-LBPRGKRZSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)CC[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000753243079 652401969 /nfs/dbraw/zinc/40/19/69/652401969.db2.gz XPQQSOVYMVGHKY-LBPRGKRZSA-N 1 2 382.309 2.242 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCCc1c[nH+]cn1C ZINC000581106401 652402098 /nfs/dbraw/zinc/40/20/98/652402098.db2.gz VVBDEOWXQFNXME-UHFFFAOYSA-N 1 2 387.889 2.010 20 0 GEADLO COCCN(C(C)=O)c1nc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)cs1 ZINC000660527609 652405761 /nfs/dbraw/zinc/40/57/61/652405761.db2.gz DRUPJRHVZQGGOD-STQMWFEESA-N 1 2 383.436 2.180 20 0 GEADLO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCN(c2ncns2)CC1 ZINC000660704225 652410707 /nfs/dbraw/zinc/41/07/07/652410707.db2.gz DGMGFNQSHIAFPA-UHFFFAOYSA-N 1 2 381.889 2.351 20 0 GEADLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)Nc2ccc(Br)cn2)n1 ZINC000660747412 652412953 /nfs/dbraw/zinc/41/29/53/652412953.db2.gz IDFDSKMKCRVJFC-UHFFFAOYSA-N 1 2 380.246 2.112 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Br)cc2F)CC1 ZINC000627213876 652419114 /nfs/dbraw/zinc/41/91/14/652419114.db2.gz SSZWOYRREWYIOJ-UHFFFAOYSA-N 1 2 392.656 2.344 20 0 GEADLO C[C@@H]1COCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753984948 652422051 /nfs/dbraw/zinc/42/20/51/652422051.db2.gz GYDHMHTZKZKRLU-YVEFUNNKSA-N 1 2 396.285 2.142 20 0 GEADLO C[C@@H]1COCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753984948 652422053 /nfs/dbraw/zinc/42/20/53/652422053.db2.gz GYDHMHTZKZKRLU-YVEFUNNKSA-N 1 2 396.285 2.142 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCOc3cc(Cl)cc(Cl)c3)C[C@H]21 ZINC000661885489 652442511 /nfs/dbraw/zinc/44/25/11/652442511.db2.gz ZGIKLRJIBJIHBT-ZNMIVQPWSA-N 1 2 380.293 2.116 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C[C@H]21 ZINC000661885489 652442515 /nfs/dbraw/zinc/44/25/15/652442515.db2.gz ZGIKLRJIBJIHBT-ZNMIVQPWSA-N 1 2 380.293 2.116 20 0 GEADLO Cc1c(C(=O)OCc2c[nH+]cn2C)nnn1-c1cccc(Br)c1 ZINC000754683673 652442587 /nfs/dbraw/zinc/44/25/87/652442587.db2.gz KQHPYLHWFYOFES-UHFFFAOYSA-N 1 2 376.214 2.429 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662015327 652444853 /nfs/dbraw/zinc/44/48/53/652444853.db2.gz WSPUOISQDCQQLB-SWLSCSKDSA-N 1 2 397.317 2.464 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662015327 652444860 /nfs/dbraw/zinc/44/48/60/652444860.db2.gz WSPUOISQDCQQLB-SWLSCSKDSA-N 1 2 397.317 2.464 20 0 GEADLO O[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC000628129578 652452592 /nfs/dbraw/zinc/45/25/92/652452592.db2.gz JNSNVFDCNMZZEO-OAHLLOKOSA-N 1 2 375.296 2.271 20 0 GEADLO O[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC000628129578 652452594 /nfs/dbraw/zinc/45/25/94/652452594.db2.gz JNSNVFDCNMZZEO-OAHLLOKOSA-N 1 2 375.296 2.271 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968565 652476469 /nfs/dbraw/zinc/47/64/69/652476469.db2.gz HTRPMPKFDKVKCY-QMTHXVAHSA-N 1 2 381.325 2.393 20 0 GEADLO Cn1c2ccc(C[NH+]3CCC4(CC3)CCS(=O)(=O)CC4)cc2sc1=O ZINC000583418002 652484003 /nfs/dbraw/zinc/48/40/03/652484003.db2.gz DHRKHODLZKAAEO-UHFFFAOYSA-N 1 2 380.535 2.391 20 0 GEADLO O[C@H](C[NH+]1CCN(c2c(Cl)cccc2Cl)CC1)CC1(O)CCOCC1 ZINC000630041635 652501284 /nfs/dbraw/zinc/50/12/84/652501284.db2.gz FGEITBXDTVBKTN-AWEZNQCLSA-N 1 2 389.323 2.408 20 0 GEADLO Brc1cnc(C2CC2)nc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000663579923 652504708 /nfs/dbraw/zinc/50/47/08/652504708.db2.gz RLORINORSLVLIO-UHFFFAOYSA-N 1 2 393.289 2.389 20 0 GEADLO Cc1c(NCC[C@@H](O)C(F)(F)F)nc[nH+]c1NCC[C@H](O)C(F)(F)F ZINC000663591560 652505006 /nfs/dbraw/zinc/50/50/06/652505006.db2.gz CWXVXHJDLBXJSF-DTORHVGOSA-N 1 2 376.301 2.235 20 0 GEADLO Cc1c(NCC[C@H](O)C(F)(F)F)nc[nH+]c1NCC[C@@H](O)C(F)(F)F ZINC000663591560 652505009 /nfs/dbraw/zinc/50/50/09/652505009.db2.gz CWXVXHJDLBXJSF-DTORHVGOSA-N 1 2 376.301 2.235 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(Br)c(F)c2)[C@H](C)CO1 ZINC000663862696 652513598 /nfs/dbraw/zinc/51/35/98/652513598.db2.gz CUOUYIFWULBPKP-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(Br)c(F)c2)[C@H](C)CO1 ZINC000663862696 652513602 /nfs/dbraw/zinc/51/36/02/652513602.db2.gz CUOUYIFWULBPKP-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cncc(Br)c1 ZINC000757163509 652514140 /nfs/dbraw/zinc/51/41/40/652514140.db2.gz KLFKJMIPYDDUTF-ZDUSSCGKSA-N 1 2 394.273 2.210 20 0 GEADLO CC(C)(C(=O)N1CCN(c2cccc(Br)c2)CC1)[NH+]1CCOCC1 ZINC000584367079 652518578 /nfs/dbraw/zinc/51/85/78/652518578.db2.gz BVMVGEIUZVDRDH-UHFFFAOYSA-N 1 2 396.329 2.209 20 0 GEADLO COCc1nc(CNc2cc[nH+]c3cc(OC)c(Br)cc23)n[nH]1 ZINC000664275111 652525257 /nfs/dbraw/zinc/52/52/57/652525257.db2.gz RFYUWEARWRUECR-UHFFFAOYSA-N 1 2 378.230 2.304 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)c2cc(F)ccc2C[NH2+]1 ZINC000631943240 652543139 /nfs/dbraw/zinc/54/31/39/652543139.db2.gz QPKXESMKXQPZBS-QMMMGPOBSA-N 1 2 378.351 2.255 20 0 GEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc(F)c(I)c1 ZINC000587036032 652544170 /nfs/dbraw/zinc/54/41/70/652544170.db2.gz FTEPCEBEEUANSQ-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@](C)(CO)C3CC3)[nH+]c12 ZINC000758694252 652552408 /nfs/dbraw/zinc/55/24/08/652552408.db2.gz DYYOFDNYGFYBJI-KRWDZBQOSA-N 1 2 395.301 2.408 20 0 GEADLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cscc1Br ZINC000632138282 652552871 /nfs/dbraw/zinc/55/28/71/652552871.db2.gz SUPYOUAMTNJFIU-JTQLQIEISA-N 1 2 388.312 2.463 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCOc3c(Br)cccc3C2)nc[nH+]1 ZINC000665715814 652558194 /nfs/dbraw/zinc/55/81/94/652558194.db2.gz MOQFVZLROVFZNJ-LLVKDONJSA-N 1 2 379.258 2.431 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCOc3c(Br)cccc3C2)[nH+]cn1 ZINC000665715814 652558197 /nfs/dbraw/zinc/55/81/97/652558197.db2.gz MOQFVZLROVFZNJ-LLVKDONJSA-N 1 2 379.258 2.431 20 0 GEADLO Cc1nc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cn1C ZINC000589166157 652560939 /nfs/dbraw/zinc/56/09/39/652560939.db2.gz XDDVBAPVAOFGIH-INIZCTEOSA-N 1 2 382.917 2.497 20 0 GEADLO O=S(=O)(Cc1ccccc1F)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632681210 652575225 /nfs/dbraw/zinc/57/52/25/652575225.db2.gz OKDQQSDXUJLKLT-UHFFFAOYSA-N 1 2 381.498 2.394 20 0 GEADLO Cc1nc(CCNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cs1 ZINC000632888844 652582326 /nfs/dbraw/zinc/58/23/26/652582326.db2.gz RTMFVEJGAPEEJT-UHFFFAOYSA-N 1 2 377.539 2.442 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000759715393 652584491 /nfs/dbraw/zinc/58/44/91/652584491.db2.gz FJSGRCOADFEWDM-HSZRJFAPSA-N 1 2 396.354 2.493 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000666759302 652586625 /nfs/dbraw/zinc/58/66/25/652586625.db2.gz DKQVFDCTSJYYEB-CHWSQXEVSA-N 1 2 377.242 2.041 20 0 GEADLO COc1cccc(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1Cl ZINC000667043377 652589751 /nfs/dbraw/zinc/58/97/51/652589751.db2.gz BVUCFMBJBPYLLN-GOSISDBHSA-N 1 2 384.929 2.215 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000592197053 652590557 /nfs/dbraw/zinc/59/05/57/652590557.db2.gz LOIGIBRAUZKDPE-RYUDHWBXSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000592197053 652590559 /nfs/dbraw/zinc/59/05/59/652590559.db2.gz LOIGIBRAUZKDPE-RYUDHWBXSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000592199528 652591049 /nfs/dbraw/zinc/59/10/49/652591049.db2.gz RAWLDEWJKOVLQD-TZMCWYRMSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000592199528 652591051 /nfs/dbraw/zinc/59/10/51/652591051.db2.gz RAWLDEWJKOVLQD-TZMCWYRMSA-N 1 2 395.253 2.460 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1Br ZINC000592434062 652594862 /nfs/dbraw/zinc/59/48/62/652594862.db2.gz UVOYRPSLAUEZPO-GFCCVEGCSA-N 1 2 385.306 2.232 20 0 GEADLO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593306020 652616444 /nfs/dbraw/zinc/61/64/44/652616444.db2.gz QVVXPVZNPYKAMY-ZVUFPHILSA-N 1 2 381.929 2.392 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cc(N3CCCC3)c2)CCO1 ZINC000667815303 652620239 /nfs/dbraw/zinc/62/02/39/652620239.db2.gz OQLRWEONCOHSLE-CQSZACIVSA-N 1 2 396.329 2.500 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc(N3CCCC3)c2)CCO1 ZINC000667815303 652620245 /nfs/dbraw/zinc/62/02/45/652620245.db2.gz OQLRWEONCOHSLE-CQSZACIVSA-N 1 2 396.329 2.500 20 0 GEADLO C[C@@H](NC(=O)c1nn(C(C)(C)C)cc1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000668319417 652637854 /nfs/dbraw/zinc/63/78/54/652637854.db2.gz HVUDPUCRIAUJRI-VXGBXAGGSA-N 1 2 387.322 2.240 20 0 GEADLO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594178141 652642218 /nfs/dbraw/zinc/64/22/18/652642218.db2.gz YQUNXJZIQKCNMV-UHFFFAOYSA-N 1 2 380.231 2.408 20 0 GEADLO Cn1nnc2cc(S(=O)(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)ccc21 ZINC000634657948 652648715 /nfs/dbraw/zinc/64/87/15/652648715.db2.gz JLOBJXIFYCENOH-UHFFFAOYSA-N 1 2 379.873 2.484 20 0 GEADLO O=S(=O)(N[C@H]1CCn2c[nH+]cc2C1)c1cccc(OC(F)(F)F)c1F ZINC000634661176 652651622 /nfs/dbraw/zinc/65/16/22/652651622.db2.gz LBMYQBYYHSVFNF-VIFPVBQESA-N 1 2 379.335 2.214 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)sc1Br ZINC000634660965 652651653 /nfs/dbraw/zinc/65/16/53/652651653.db2.gz GPVGWNHHTONSFF-SECBINFHSA-N 1 2 376.301 2.309 20 0 GEADLO Cc1cc(Br)sc1S(=O)(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000634661269 652651878 /nfs/dbraw/zinc/65/18/78/652651878.db2.gz NPBNVENXTAXJNA-VIFPVBQESA-N 1 2 376.301 2.309 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000668669019 652658541 /nfs/dbraw/zinc/65/85/41/652658541.db2.gz JIODZONJQUOOFS-UHFFFAOYSA-N 1 2 399.182 2.410 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000668761027 652666677 /nfs/dbraw/zinc/66/66/77/652666677.db2.gz PTYLCELWNREVPY-UHFFFAOYSA-N 1 2 378.519 2.321 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CC[N@@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000668761027 652666679 /nfs/dbraw/zinc/66/66/79/652666679.db2.gz PTYLCELWNREVPY-UHFFFAOYSA-N 1 2 378.519 2.321 20 0 GEADLO C[C@H](C[NH+]1CCN(S(=O)(=O)N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000669687847 652713521 /nfs/dbraw/zinc/71/35/21/652713521.db2.gz KVQWBQJUEIWKOL-CYBMUJFWSA-N 1 2 379.448 2.233 20 0 GEADLO O=C(Cc1c(F)ccc(Br)c1F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000669710157 652715223 /nfs/dbraw/zinc/71/52/23/652715223.db2.gz FWKGCLJQSCBAOW-NSHDSACASA-N 1 2 389.240 2.203 20 0 GEADLO COC(=O)CCN1CCC[C@@H]([NH2+][C@H](C)c2nc(C(F)(F)F)cs2)C1=O ZINC000595482598 652730385 /nfs/dbraw/zinc/73/03/85/652730385.db2.gz SLMWBFCPZQMGND-NXEZZACHSA-N 1 2 379.404 2.367 20 0 GEADLO COC(=O)[C@H](c1ccccc1Br)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000595507195 652732186 /nfs/dbraw/zinc/73/21/86/652732186.db2.gz KVARCOYQOATCCW-YOEHRIQHSA-N 1 2 397.313 2.460 20 0 GEADLO CC(C)(C)NS(=O)(=O)c1cc(C(=O)OCCn2cc[nH+]c2)ccc1Cl ZINC000763112382 652738450 /nfs/dbraw/zinc/73/84/50/652738450.db2.gz PEVQAQFNLJWODC-UHFFFAOYSA-N 1 2 385.873 2.470 20 0 GEADLO Cc1cc(CCC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)ccc1Br ZINC000670410226 652746396 /nfs/dbraw/zinc/74/63/96/652746396.db2.gz WUZPEKSMDIWYFU-MRXNPFEDSA-N 1 2 380.330 2.196 20 0 GEADLO Cc1cc(CCC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)ccc1Br ZINC000670410226 652746402 /nfs/dbraw/zinc/74/64/02/652746402.db2.gz WUZPEKSMDIWYFU-MRXNPFEDSA-N 1 2 380.330 2.196 20 0 GEADLO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000763559884 652761518 /nfs/dbraw/zinc/76/15/18/652761518.db2.gz HMJBGZHGLTVWTO-OWJWWREXSA-N 1 2 393.336 2.204 20 0 GEADLO O=C(NCCc1ccc(I)cc1)N1CCn2c[nH+]cc2C1 ZINC000596899484 652766247 /nfs/dbraw/zinc/76/62/47/652766247.db2.gz JHJJCCMXKCTTMY-UHFFFAOYSA-N 1 2 396.232 2.256 20 0 GEADLO O=C(NCCc1ccc(I)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000598393769 652814011 /nfs/dbraw/zinc/81/40/11/652814011.db2.gz RDYKVXBXZRBBHT-CYBMUJFWSA-N 1 2 395.244 2.409 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3C[C@@H](CO)C3)[nH+]c12 ZINC000637041832 652834771 /nfs/dbraw/zinc/83/47/71/652834771.db2.gz JYEAZCWGAXCXEC-VDISTLRHSA-N 1 2 381.274 2.018 20 0 GEADLO O=C(CCC[S@](=O)c1ccc(Br)cc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598942475 652841371 /nfs/dbraw/zinc/84/13/71/652841371.db2.gz BLERBVHQMZAMRA-NPMABZOXSA-N 1 2 396.310 2.275 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=S)NC[C@H]2CCCO2)c2ccc(Cl)cc2)C1 ZINC000765516210 652842204 /nfs/dbraw/zinc/84/22/04/652842204.db2.gz GQTDAZXVPSTTIM-IKGGRYGDSA-N 1 2 383.945 2.355 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](NC(=S)NC[C@H]2CCCO2)c2ccc(Cl)cc2)C1 ZINC000765516210 652842206 /nfs/dbraw/zinc/84/22/06/652842206.db2.gz GQTDAZXVPSTTIM-IKGGRYGDSA-N 1 2 383.945 2.355 20 0 GEADLO O=C(Cc1cccc(I)c1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598948055 652842187 /nfs/dbraw/zinc/84/21/87/652842187.db2.gz OMFDSQWEUNLLRU-CYBMUJFWSA-N 1 2 381.217 2.161 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc(F)ccc1I ZINC000598948096 652842298 /nfs/dbraw/zinc/84/22/98/652842298.db2.gz OVGOFTDMFLFTIO-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000599423516 652869961 /nfs/dbraw/zinc/86/99/61/652869961.db2.gz QXJGIXCCJNPYHN-UHFFFAOYSA-N 1 2 383.235 2.500 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)CC(C)(C)[NH+]1CCOCC1 ZINC000637856598 652875672 /nfs/dbraw/zinc/87/56/72/652875672.db2.gz FHRHODWKBZQXMO-UHFFFAOYSA-N 1 2 384.318 2.430 20 0 GEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000766324223 652875776 /nfs/dbraw/zinc/87/57/76/652875776.db2.gz BDAQRYYFWVROER-LBPRGKRZSA-N 1 2 394.273 2.210 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(OC)c(OC)c2Br)C1 ZINC000599561734 652878073 /nfs/dbraw/zinc/87/80/73/652878073.db2.gz CPIGTTIMSGOSEV-MRXNPFEDSA-N 1 2 388.258 2.230 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(OC)c(OC)c2Br)C1 ZINC000599561734 652878075 /nfs/dbraw/zinc/87/80/75/652878075.db2.gz CPIGTTIMSGOSEV-MRXNPFEDSA-N 1 2 388.258 2.230 20 0 GEADLO COC(=O)[C@]1([NH2+]CCCC(=O)N(C)C)CCc2cc(Br)ccc2C1 ZINC000599595997 652878782 /nfs/dbraw/zinc/87/87/82/652878782.db2.gz XUMVQPYVKLFDAY-SFHVURJKSA-N 1 2 397.313 2.308 20 0 GEADLO C[C@@H](C(=O)Nc1cc(Cl)c(Br)cc1F)N1CC[NH2+]CC1=O ZINC000638476780 652890853 /nfs/dbraw/zinc/89/08/53/652890853.db2.gz OVUQXDPXAIDBCP-ZETCQYMHSA-N 1 2 378.629 2.000 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[N@@H+]1C1CC1 ZINC000674688450 652908555 /nfs/dbraw/zinc/90/85/55/652908555.db2.gz ABWXUBWONBNTOL-TZMCWYRMSA-N 1 2 382.913 2.388 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[N@H+]1C1CC1 ZINC000674688450 652908558 /nfs/dbraw/zinc/90/85/58/652908558.db2.gz ABWXUBWONBNTOL-TZMCWYRMSA-N 1 2 382.913 2.388 20 0 GEADLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000675146023 652917965 /nfs/dbraw/zinc/91/79/65/652917965.db2.gz DKGYSDGOZRSORK-BLLLJJGKSA-N 1 2 382.913 2.245 20 0 GEADLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000675146023 652917971 /nfs/dbraw/zinc/91/79/71/652917971.db2.gz DKGYSDGOZRSORK-BLLLJJGKSA-N 1 2 382.913 2.245 20 0 GEADLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639164271 652924135 /nfs/dbraw/zinc/92/41/35/652924135.db2.gz PTMMRMKRVQBBJA-CYBMUJFWSA-N 1 2 382.507 2.448 20 0 GEADLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639164271 652924146 /nfs/dbraw/zinc/92/41/46/652924146.db2.gz PTMMRMKRVQBBJA-CYBMUJFWSA-N 1 2 382.507 2.448 20 0 GEADLO CS(=O)(=O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000675504995 652930246 /nfs/dbraw/zinc/93/02/46/652930246.db2.gz WMMZSJFECYIFED-LBPRGKRZSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000675505026 652930585 /nfs/dbraw/zinc/93/05/85/652930585.db2.gz YTVTXSMFARYJSA-GFCCVEGCSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)C1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000675528717 652931909 /nfs/dbraw/zinc/93/19/09/652931909.db2.gz FWNKPWAPWZAGKK-HNNXBMFYSA-N 1 2 385.555 2.104 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N1CCC(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000675540915 652932446 /nfs/dbraw/zinc/93/24/46/652932446.db2.gz JLMKTROCVFFMMN-INIZCTEOSA-N 1 2 387.933 2.161 20 0 GEADLO CCC(F)(F)C[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000639440857 652936426 /nfs/dbraw/zinc/93/64/26/652936426.db2.gz PXFASSOQRKBUCV-UHFFFAOYSA-N 1 2 375.441 2.030 20 0 GEADLO CCN(CC(F)(F)F)C(=O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000639458646 652937006 /nfs/dbraw/zinc/93/70/06/652937006.db2.gz AOQMNCHZAWHVHJ-UHFFFAOYSA-N 1 2 377.432 2.353 20 0 GEADLO O=S(=O)(Nc1ccnn1-c1cc[nH+]cc1)c1cncc(Br)c1 ZINC000767716325 652945298 /nfs/dbraw/zinc/94/52/98/652945298.db2.gz KZNZEKBTDCEXRI-UHFFFAOYSA-N 1 2 380.227 2.226 20 0 GEADLO COc1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cnc1Cl ZINC000767730731 652946341 /nfs/dbraw/zinc/94/63/41/652946341.db2.gz VIOBSELCNRESTH-UHFFFAOYSA-N 1 2 378.841 2.408 20 0 GEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3ccnc(Cl)c3)CC2)cc1 ZINC000767745475 652948098 /nfs/dbraw/zinc/94/80/98/652948098.db2.gz JXJHWUZESIYIAI-UHFFFAOYSA-N 1 2 380.901 2.429 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)Nc1ccccn1 ZINC000639776059 652954629 /nfs/dbraw/zinc/95/46/29/652954629.db2.gz JUJJJMPXLHLQBS-CYBMUJFWSA-N 1 2 377.242 2.331 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)Nc1ccccn1 ZINC000639776059 652954635 /nfs/dbraw/zinc/95/46/35/652954635.db2.gz JUJJJMPXLHLQBS-CYBMUJFWSA-N 1 2 377.242 2.331 20 0 GEADLO C[C@H]1C[C@H]([NH2+]Cc2cc(O)ccc2Br)C(=O)N1c1cnn(C)c1 ZINC000676239862 653092362 /nfs/dbraw/zinc/09/23/62/653092362.db2.gz QNIRRCNPSAVCSQ-BONVTDFDSA-N 1 2 379.258 2.172 20 0 GEADLO COc1cc(OC)c(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1Br ZINC000640018662 653093501 /nfs/dbraw/zinc/09/35/01/653093501.db2.gz AZMRQCUSVWQHCX-SECBINFHSA-N 1 2 381.230 2.409 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c(Cl)cc1Cl ZINC000768563385 653117983 /nfs/dbraw/zinc/11/79/83/653117983.db2.gz TYBZIGFWAGQPQQ-NXEZZACHSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(Cl)cc1Cl ZINC000768563385 653117990 /nfs/dbraw/zinc/11/79/90/653117990.db2.gz TYBZIGFWAGQPQQ-NXEZZACHSA-N 1 2 395.308 2.493 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000805473681 653118653 /nfs/dbraw/zinc/11/86/53/653118653.db2.gz XJWZDHXKKBFUNF-CABCVRRESA-N 1 2 387.263 2.363 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000805473681 653118654 /nfs/dbraw/zinc/11/86/54/653118654.db2.gz XJWZDHXKKBFUNF-CABCVRRESA-N 1 2 387.263 2.363 20 0 GEADLO CCOCC[N@H+](C)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000771641401 653122776 /nfs/dbraw/zinc/12/27/76/653122776.db2.gz KRPHBBYDXOMSAE-QGZVFWFLSA-N 1 2 383.286 2.392 20 0 GEADLO CCOCC[N@@H+](C)CN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000771641401 653122779 /nfs/dbraw/zinc/12/27/79/653122779.db2.gz KRPHBBYDXOMSAE-QGZVFWFLSA-N 1 2 383.286 2.392 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@@H]1C ZINC000678039390 653124532 /nfs/dbraw/zinc/12/45/32/653124532.db2.gz OWIHCSPWKHVWLS-LBPRGKRZSA-N 1 2 390.347 2.230 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@@H]1C ZINC000678039390 653124536 /nfs/dbraw/zinc/12/45/36/653124536.db2.gz OWIHCSPWKHVWLS-LBPRGKRZSA-N 1 2 390.347 2.230 20 0 GEADLO C[S@@](=O)c1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000601850319 653130195 /nfs/dbraw/zinc/13/01/95/653130195.db2.gz DBWZDHGZAGHSAE-RUZDIDTESA-N 1 2 375.519 2.302 20 0 GEADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000771927332 653132765 /nfs/dbraw/zinc/13/27/65/653132765.db2.gz MDMFSKQYJVBHOJ-AWEZNQCLSA-N 1 2 378.226 2.242 20 0 GEADLO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)OCCn1cc[nH+]c1 ZINC000772056752 653138534 /nfs/dbraw/zinc/13/85/34/653138534.db2.gz YQEXBVLJGDJKBV-UHFFFAOYSA-N 1 2 387.255 2.215 20 0 GEADLO O=C(C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1)N1CC=CCC1 ZINC000679324932 653144020 /nfs/dbraw/zinc/14/40/20/653144020.db2.gz MLJJKGDKTVYOCQ-UHFFFAOYSA-N 1 2 396.304 2.494 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000769393084 653151371 /nfs/dbraw/zinc/15/13/71/653151371.db2.gz XRRNOXQOJBAXIQ-UHFFFAOYSA-N 1 2 386.880 2.109 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000769393084 653151373 /nfs/dbraw/zinc/15/13/73/653151373.db2.gz XRRNOXQOJBAXIQ-UHFFFAOYSA-N 1 2 386.880 2.109 20 0 GEADLO COC1CC[NH+](Cc2cn([C@@H](C)c3ncc(Br)cn3)nn2)CC1 ZINC000641177978 653166597 /nfs/dbraw/zinc/16/65/97/653166597.db2.gz SFSREQYEFGJQIM-NSHDSACASA-N 1 2 381.278 2.051 20 0 GEADLO C[C@@H]1COCCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000772825674 653167617 /nfs/dbraw/zinc/16/76/17/653167617.db2.gz WUBKVZHXMHIBIM-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1COCCC[N@H+]1CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000772825674 653167625 /nfs/dbraw/zinc/16/76/25/653167625.db2.gz WUBKVZHXMHIBIM-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2ccc(Br)cn2)c1C ZINC000773151534 653183963 /nfs/dbraw/zinc/18/39/63/653183963.db2.gz WWXGBKMIVCXCQF-UHFFFAOYSA-N 1 2 393.241 2.119 20 0 GEADLO Cc1ccc(Cl)cc1N1CC[C@@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641313048 653184809 /nfs/dbraw/zinc/18/48/09/653184809.db2.gz IDRCKLDASSSWTA-HNNXBMFYSA-N 1 2 382.917 2.291 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)cc(Br)c1 ZINC000807283762 653189015 /nfs/dbraw/zinc/18/90/15/653189015.db2.gz KLIBVQGDSIRYKL-GFCCVEGCSA-N 1 2 386.633 2.271 20 0 GEADLO COc1cc(CN(C)S(=O)(=O)CCn2cc[nH+]c2)c(SC)cc1OC ZINC000641349936 653190369 /nfs/dbraw/zinc/19/03/69/653190369.db2.gz DXENBLLSDLVCHI-UHFFFAOYSA-N 1 2 385.511 2.084 20 0 GEADLO COCCCOCC[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000773271240 653190442 /nfs/dbraw/zinc/19/04/42/653190442.db2.gz MKJBUJFSIJOOFK-INIZCTEOSA-N 1 2 389.905 2.111 20 0 GEADLO COCCCOCC[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000773271240 653190446 /nfs/dbraw/zinc/19/04/46/653190446.db2.gz MKJBUJFSIJOOFK-INIZCTEOSA-N 1 2 389.905 2.111 20 0 GEADLO COC(=O)[C@H]1CC[N@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)[C@@H]1C ZINC000773323947 653193367 /nfs/dbraw/zinc/19/33/67/653193367.db2.gz DKHFDGSKBSYNHV-BDAKNGLRSA-N 1 2 387.205 2.337 20 0 GEADLO COC(=O)[C@H]1CC[N@@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)[C@@H]1C ZINC000773323947 653193368 /nfs/dbraw/zinc/19/33/68/653193368.db2.gz DKHFDGSKBSYNHV-BDAKNGLRSA-N 1 2 387.205 2.337 20 0 GEADLO C[C@H](Cc1cc(Br)ccc1F)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641395858 653198683 /nfs/dbraw/zinc/19/86/83/653198683.db2.gz SZVDFVSCWYIUHR-LLVKDONJSA-N 1 2 390.278 2.335 20 0 GEADLO COC(=O)c1cc(C[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)on1 ZINC000602692771 653200695 /nfs/dbraw/zinc/20/06/95/653200695.db2.gz AZNKROVTXUBFMO-UHFFFAOYSA-N 1 2 382.214 2.260 20 0 GEADLO Cc1ccc(C[NH+]2CCN(c3ncc(I)cn3)CC2)o1 ZINC000602734077 653203234 /nfs/dbraw/zinc/20/32/34/653203234.db2.gz NJBNSUBWHHMDLF-UHFFFAOYSA-N 1 2 384.221 2.305 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000641479488 653211944 /nfs/dbraw/zinc/21/19/44/653211944.db2.gz NSUGKOGGPUPMBD-CYBMUJFWSA-N 1 2 386.271 2.089 20 0 GEADLO C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)c1ccc(Br)cc1F ZINC000641493817 653213345 /nfs/dbraw/zinc/21/33/45/653213345.db2.gz LRXKLJCZPGVXHI-SNVBAGLBSA-N 1 2 376.251 2.465 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCc1cc(F)c(F)cc1Br ZINC000641492701 653213407 /nfs/dbraw/zinc/21/34/07/653213407.db2.gz ZOOQNESMVDLTPR-UHFFFAOYSA-N 1 2 380.214 2.043 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000682730000 653222658 /nfs/dbraw/zinc/22/26/58/653222658.db2.gz ZYIVIMUKAYIKQF-RYUDHWBXSA-N 1 2 397.299 2.352 20 0 GEADLO C[N@H+](CCn1cc(Br)cn1)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000808243076 653223905 /nfs/dbraw/zinc/22/39/05/653223905.db2.gz VPAJLLBBANAACN-KRWDZBQOSA-N 1 2 392.301 2.120 20 0 GEADLO C[N@@H+](CCn1cc(Br)cn1)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000808243076 653223906 /nfs/dbraw/zinc/22/39/06/653223906.db2.gz VPAJLLBBANAACN-KRWDZBQOSA-N 1 2 392.301 2.120 20 0 GEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccnc1Br ZINC000774107796 653225152 /nfs/dbraw/zinc/22/51/52/653225152.db2.gz GKELAQMFIZIXFO-LBPRGKRZSA-N 1 2 394.273 2.210 20 0 GEADLO O=S(=O)(CC[C@@H]1CCCCO1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000641640432 653226725 /nfs/dbraw/zinc/22/67/25/653226725.db2.gz GJQQDIQWPIIGOC-INIZCTEOSA-N 1 2 385.555 2.013 20 0 GEADLO O=S(=O)(CC[C@H]1CCCO1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000683197032 653230949 /nfs/dbraw/zinc/23/09/49/653230949.db2.gz LFEONUVTBIHERP-QZTJIDSGSA-N 1 2 384.567 2.093 20 0 GEADLO O=S(=O)(CC[C@H]1CCCO1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000683197032 653230950 /nfs/dbraw/zinc/23/09/50/653230950.db2.gz LFEONUVTBIHERP-QZTJIDSGSA-N 1 2 384.567 2.093 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000774304604 653233655 /nfs/dbraw/zinc/23/36/55/653233655.db2.gz PMCZJBVBKYKCRY-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000774307327 653233869 /nfs/dbraw/zinc/23/38/69/653233869.db2.gz HNWBVQVSHQWWSF-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000774307327 653233873 /nfs/dbraw/zinc/23/38/73/653233873.db2.gz HNWBVQVSHQWWSF-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1cn2cc(NC(=O)C(=O)N[C@@H]3CC[C@H]4SCCS[C@H]34)ccc2[nH+]1 ZINC000774350463 653235331 /nfs/dbraw/zinc/23/53/31/653235331.db2.gz ULXGAMQOVAORHL-UMVBOHGHSA-N 1 2 376.507 2.077 20 0 GEADLO Cc1cn2cc(NC(=O)C(=O)N[C@@H]3CC[C@@H]4SCCS[C@@H]34)ccc2[nH+]1 ZINC000774350453 653235597 /nfs/dbraw/zinc/23/55/97/653235597.db2.gz ULXGAMQOVAORHL-IPYPFGDCSA-N 1 2 376.507 2.077 20 0 GEADLO C[C@@H]1CCOCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000774648648 653246789 /nfs/dbraw/zinc/24/67/89/653246789.db2.gz KNRNPSQKCGRCQQ-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@@H]1CCOCC[N@H+]1CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000774648648 653246792 /nfs/dbraw/zinc/24/67/92/653246792.db2.gz KNRNPSQKCGRCQQ-SJKOYZFVSA-N 1 2 396.285 2.284 20 0 GEADLO CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000642515313 653247879 /nfs/dbraw/zinc/24/78/79/653247879.db2.gz GSMZZASXFGBKSQ-NSHDSACASA-N 1 2 388.287 2.411 20 0 GEADLO Cc1nc(CS(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cs1 ZINC000684107411 653260729 /nfs/dbraw/zinc/26/07/29/653260729.db2.gz FLKOHMRCNSKBLH-QGZVFWFLSA-N 1 2 397.591 2.489 20 0 GEADLO Cc1nc(CS(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cs1 ZINC000684107411 653260737 /nfs/dbraw/zinc/26/07/37/653260737.db2.gz FLKOHMRCNSKBLH-QGZVFWFLSA-N 1 2 397.591 2.489 20 0 GEADLO CN(C)Cc1cnc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)s1 ZINC000809551812 653282348 /nfs/dbraw/zinc/28/23/48/653282348.db2.gz AXFTUDMACKFHLB-UHFFFAOYSA-N 1 2 380.480 2.291 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl)c1ccccc1Cl ZINC000775076023 653284368 /nfs/dbraw/zinc/28/43/68/653284368.db2.gz ABOMLFHTPBKCHM-ZWNOBZJWSA-N 1 2 392.714 2.369 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CCC[C@]1(C)CCCO ZINC000809757282 653293805 /nfs/dbraw/zinc/29/38/05/653293805.db2.gz MCNHGKHGIKCZEY-RHSMWYFYSA-N 1 2 389.949 2.332 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CCC[C@]1(C)CCCO ZINC000809757282 653293817 /nfs/dbraw/zinc/29/38/17/653293817.db2.gz MCNHGKHGIKCZEY-RHSMWYFYSA-N 1 2 389.949 2.332 20 0 GEADLO O=C(Nc1ccnn1-c1ccc(Br)cn1)N1CCn2c[nH+]cc2C1 ZINC000685650482 653311010 /nfs/dbraw/zinc/31/10/10/653311010.db2.gz XVQZBMGQBROILT-UHFFFAOYSA-N 1 2 388.229 2.274 20 0 GEADLO C[N@@H+]1CCN(C(=O)NC[C@H]2CC2(Cl)Cl)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775405217 653312792 /nfs/dbraw/zinc/31/27/92/653312792.db2.gz BBRHCCVHJHBLRV-NEPJUHHUSA-N 1 2 395.331 2.031 20 0 GEADLO C[N@H+]1CCN(C(=O)NC[C@H]2CC2(Cl)Cl)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775405217 653312796 /nfs/dbraw/zinc/31/27/96/653312796.db2.gz BBRHCCVHJHBLRV-NEPJUHHUSA-N 1 2 395.331 2.031 20 0 GEADLO C[C@@H]1CN(CCS(=O)(=O)CC[N@@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000810045500 653318868 /nfs/dbraw/zinc/31/88/68/653318868.db2.gz QNSYXGXAZBORBS-OKILXGFUSA-N 1 2 388.471 2.355 20 0 GEADLO C[C@@H]1CN(CCS(=O)(=O)CC[N@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000810045500 653318874 /nfs/dbraw/zinc/31/88/74/653318874.db2.gz QNSYXGXAZBORBS-OKILXGFUSA-N 1 2 388.471 2.355 20 0 GEADLO C[C@@H]1C[N@H+](CCS(=O)(=O)CCN2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000810045500 653318880 /nfs/dbraw/zinc/31/88/80/653318880.db2.gz QNSYXGXAZBORBS-OKILXGFUSA-N 1 2 388.471 2.355 20 0 GEADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)CCN2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000810045500 653318885 /nfs/dbraw/zinc/31/88/85/653318885.db2.gz QNSYXGXAZBORBS-OKILXGFUSA-N 1 2 388.471 2.355 20 0 GEADLO COC(=O)[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cccc(Br)c1 ZINC000874449904 653319988 /nfs/dbraw/zinc/31/99/88/653319988.db2.gz HHEUBCINOGZBOU-XNJGSVPQSA-N 1 2 392.253 2.480 20 0 GEADLO COC(=O)[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cccc(Br)c1 ZINC000874449904 653319995 /nfs/dbraw/zinc/31/99/95/653319995.db2.gz HHEUBCINOGZBOU-XNJGSVPQSA-N 1 2 392.253 2.480 20 0 GEADLO CN(OCC(F)(F)F)C(=O)CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000857424057 653322017 /nfs/dbraw/zinc/32/20/17/653322017.db2.gz JOCHSLVLJMSGPX-ZDUSSCGKSA-N 1 2 381.782 2.011 20 0 GEADLO COc1nc(Br)ccc1NC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC000836037415 653326095 /nfs/dbraw/zinc/32/60/95/653326095.db2.gz IJSFLEADKHHDHY-UHFFFAOYSA-N 1 2 393.241 2.119 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874891557 653341254 /nfs/dbraw/zinc/34/12/54/653341254.db2.gz OESWDFSUYFSGFE-CQSZACIVSA-N 1 2 394.244 2.404 20 0 GEADLO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000857890109 653342280 /nfs/dbraw/zinc/34/22/80/653342280.db2.gz PXERDBMKMJEWPN-IUODEOHRSA-N 1 2 388.269 2.220 20 0 GEADLO C[C@@H]([NH2+]Cc1cn(C)nc1Br)c1cccc(NS(C)(=O)=O)c1 ZINC000858115608 653349040 /nfs/dbraw/zinc/34/90/40/653349040.db2.gz NEZHMNOOOMWSEI-SNVBAGLBSA-N 1 2 387.303 2.405 20 0 GEADLO C[C@H](O)C[N@H+](C)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000776521535 653353529 /nfs/dbraw/zinc/35/35/29/653353529.db2.gz RYVHESNUXJAXOL-NSHDSACASA-N 1 2 396.372 2.398 20 0 GEADLO C[C@H](O)C[N@@H+](C)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000776521535 653353536 /nfs/dbraw/zinc/35/35/36/653353536.db2.gz RYVHESNUXJAXOL-NSHDSACASA-N 1 2 396.372 2.398 20 0 GEADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1c(Br)nnn1C ZINC000810715114 653353980 /nfs/dbraw/zinc/35/39/80/653353980.db2.gz CPCYGVKCHJWLRP-UHFFFAOYSA-N 1 2 376.214 2.429 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@H]2C[C@@]2(C)Br)CC1 ZINC000858407904 653362783 /nfs/dbraw/zinc/36/27/83/653362783.db2.gz NEAGFSAWNGKKCZ-CXAGYDPISA-N 1 2 380.286 2.186 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000875548250 653376268 /nfs/dbraw/zinc/37/62/68/653376268.db2.gz GHLNUDNATICIAK-GXTWGEPZSA-N 1 2 385.306 2.315 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000875548250 653376270 /nfs/dbraw/zinc/37/62/70/653376270.db2.gz GHLNUDNATICIAK-GXTWGEPZSA-N 1 2 385.306 2.315 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)C[C@@H]1C ZINC000859079169 653402040 /nfs/dbraw/zinc/40/20/40/653402040.db2.gz ODWVKGKMZJHFTN-NSHDSACASA-N 1 2 375.878 2.233 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)C[C@@H]1C ZINC000859079169 653402044 /nfs/dbraw/zinc/40/20/44/653402044.db2.gz ODWVKGKMZJHFTN-NSHDSACASA-N 1 2 375.878 2.233 20 0 GEADLO C[N@H+](CCn1cc(Br)cn1)CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811776445 653404054 /nfs/dbraw/zinc/40/40/54/653404054.db2.gz NCMMOQQEGMQIQX-CABCVRRESA-N 1 2 397.317 2.095 20 0 GEADLO C[N@@H+](CCn1cc(Br)cn1)CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811776445 653404058 /nfs/dbraw/zinc/40/40/58/653404058.db2.gz NCMMOQQEGMQIQX-CABCVRRESA-N 1 2 397.317 2.095 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1Cl ZINC000859090781 653404136 /nfs/dbraw/zinc/40/41/36/653404136.db2.gz QYHKZFSAOOIXQB-QWRGUYRKSA-N 1 2 375.878 2.231 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000859090781 653404140 /nfs/dbraw/zinc/40/41/40/653404140.db2.gz QYHKZFSAOOIXQB-QWRGUYRKSA-N 1 2 375.878 2.231 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000837153887 653404710 /nfs/dbraw/zinc/40/47/10/653404710.db2.gz HFLIBLRPMQTPEF-DOMZBBRYSA-N 1 2 378.270 2.400 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)[C@H](C)C1 ZINC000859156781 653414163 /nfs/dbraw/zinc/41/41/63/653414163.db2.gz WRJXEDYBWJYDTL-LLVKDONJSA-N 1 2 375.878 2.233 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)[C@H](C)C1 ZINC000859156781 653414171 /nfs/dbraw/zinc/41/41/71/653414171.db2.gz WRJXEDYBWJYDTL-LLVKDONJSA-N 1 2 375.878 2.233 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000778094309 653426349 /nfs/dbraw/zinc/42/63/49/653426349.db2.gz KZJUYQRKDCVLPR-NSHDSACASA-N 1 2 398.282 2.142 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2c(C)ccc(Br)c2F)CC1 ZINC000876722875 653443920 /nfs/dbraw/zinc/44/39/20/653443920.db2.gz HGRYHXNGCPBODJ-UHFFFAOYSA-N 1 2 379.295 2.410 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)COc1cccc(I)c1 ZINC000837676803 653460386 /nfs/dbraw/zinc/46/03/86/653460386.db2.gz NEAKNSZEFXJMIZ-UHFFFAOYSA-N 1 2 386.189 2.189 20 0 GEADLO Cn1c(Cl)cnc1C[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000778988260 653464815 /nfs/dbraw/zinc/46/48/15/653464815.db2.gz CTMCPVCQXZIHER-UHFFFAOYSA-N 1 2 384.267 2.286 20 0 GEADLO Cn1c(Cl)cnc1C[N@@H+](C)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000778988260 653464821 /nfs/dbraw/zinc/46/48/21/653464821.db2.gz CTMCPVCQXZIHER-UHFFFAOYSA-N 1 2 384.267 2.286 20 0 GEADLO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2nc(Cl)cs2)cc1 ZINC000877093559 653465320 /nfs/dbraw/zinc/46/53/20/653465320.db2.gz JLQVTUYYGPABCI-UHFFFAOYSA-N 1 2 388.898 2.174 20 0 GEADLO C[C@@H](C(=O)OCCn1cnc(Br)n1)[N@@H+]1CCc2ccccc2C1 ZINC000813205549 653469665 /nfs/dbraw/zinc/46/96/65/653469665.db2.gz UHBXKIQBNUEDAQ-LBPRGKRZSA-N 1 2 379.258 2.031 20 0 GEADLO C[C@@H](C(=O)OCCn1cnc(Br)n1)[N@H+]1CCc2ccccc2C1 ZINC000813205549 653469669 /nfs/dbraw/zinc/46/96/69/653469669.db2.gz UHBXKIQBNUEDAQ-LBPRGKRZSA-N 1 2 379.258 2.031 20 0 GEADLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859507369 653470342 /nfs/dbraw/zinc/47/03/42/653470342.db2.gz KKQYIHNUSIMMCP-OAHLLOKOSA-N 1 2 393.285 2.322 20 0 GEADLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859507369 653470348 /nfs/dbraw/zinc/47/03/48/653470348.db2.gz KKQYIHNUSIMMCP-OAHLLOKOSA-N 1 2 393.285 2.322 20 0 GEADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)CC[C@H]1C(F)(F)F ZINC000859602955 653476880 /nfs/dbraw/zinc/47/68/80/653476880.db2.gz JEAPCUBGOJQBOD-VXGBXAGGSA-N 1 2 388.452 2.056 20 0 GEADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@H]1C(F)(F)F ZINC000859602955 653476905 /nfs/dbraw/zinc/47/69/05/653476905.db2.gz JEAPCUBGOJQBOD-VXGBXAGGSA-N 1 2 388.452 2.056 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000779563110 653491223 /nfs/dbraw/zinc/49/12/23/653491223.db2.gz NKYLFKVMQINXMD-GWCFXTLKSA-N 1 2 386.235 2.315 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(Br)ccc1Cl ZINC000779562064 653491978 /nfs/dbraw/zinc/49/19/78/653491978.db2.gz CIXILIQVXBXLIC-LBPRGKRZSA-N 1 2 386.633 2.271 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000779567500 653493778 /nfs/dbraw/zinc/49/37/78/653493778.db2.gz UZQCWJOENLPLQB-JQWIXIFHSA-N 1 2 386.235 2.315 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1Br ZINC000877466961 653519322 /nfs/dbraw/zinc/51/93/22/653519322.db2.gz UOHQLWQKWCXUCY-YWPYICTPSA-N 1 2 381.270 2.322 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1Br ZINC000877466961 653519329 /nfs/dbraw/zinc/51/93/29/653519329.db2.gz UOHQLWQKWCXUCY-YWPYICTPSA-N 1 2 381.270 2.322 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC[C@H]2c2ccc(Br)cn2)CCO1 ZINC000838114574 653609405 /nfs/dbraw/zinc/60/94/05/653609405.db2.gz PMNNVSCVCAXOPS-CJNGLKHVSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@H]2c2ccc(Br)cn2)CCO1 ZINC000838114574 653609418 /nfs/dbraw/zinc/60/94/18/653609418.db2.gz PMNNVSCVCAXOPS-CJNGLKHVSA-N 1 2 397.317 2.411 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cccnc2Br)C1)C1CC1 ZINC000877534172 653611238 /nfs/dbraw/zinc/61/12/38/653611238.db2.gz AFXIYGWDKOUWIL-LBPRGKRZSA-N 1 2 388.331 2.138 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cccnc2Br)C1)C1CC1 ZINC000877534172 653611243 /nfs/dbraw/zinc/61/12/43/653611243.db2.gz AFXIYGWDKOUWIL-LBPRGKRZSA-N 1 2 388.331 2.138 20 0 GEADLO C[N@@H+](Cc1cn(C[C@H]2CCOC2)nn1)C[C@H](O)c1ccccc1Br ZINC000877575773 653612997 /nfs/dbraw/zinc/61/29/97/653612997.db2.gz DFRIQIYASNMIRJ-DYVFJYSZSA-N 1 2 395.301 2.243 20 0 GEADLO C[N@H+](Cc1cn(C[C@H]2CCOC2)nn1)C[C@H](O)c1ccccc1Br ZINC000877575773 653613003 /nfs/dbraw/zinc/61/30/03/653613003.db2.gz DFRIQIYASNMIRJ-DYVFJYSZSA-N 1 2 395.301 2.243 20 0 GEADLO O=S1(=O)CCCN1C1CC[NH+](Cc2ccc(OC(F)F)cc2F)CC1 ZINC000877586687 653613407 /nfs/dbraw/zinc/61/34/07/653613407.db2.gz OOZVNJSAEQPRGL-UHFFFAOYSA-N 1 2 378.416 2.427 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cccnc3Br)C2)n1 ZINC000877648422 653615393 /nfs/dbraw/zinc/61/53/93/653615393.db2.gz XXMBNUUHFTULEZ-MRXNPFEDSA-N 1 2 381.274 2.359 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cccnc3Br)C2)n1 ZINC000877648422 653615398 /nfs/dbraw/zinc/61/53/98/653615398.db2.gz XXMBNUUHFTULEZ-MRXNPFEDSA-N 1 2 381.274 2.359 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)c[nH+]c12 ZINC000877790732 653620489 /nfs/dbraw/zinc/62/04/89/653620489.db2.gz GNFHZQQSXBPEKQ-STQMWFEESA-N 1 2 398.326 2.272 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000838562613 653625623 /nfs/dbraw/zinc/62/56/23/653625623.db2.gz SCZCRUWPCJUGOP-WFASDCNBSA-N 1 2 393.285 2.335 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@@H](O)c2cc(Br)no2)CC1 ZINC000878129836 653629569 /nfs/dbraw/zinc/62/95/69/653629569.db2.gz BYRSQULFLSFUND-TZMCWYRMSA-N 1 2 381.274 2.244 20 0 GEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860564798 653630817 /nfs/dbraw/zinc/63/08/17/653630817.db2.gz VXGHQWCIBWPDPW-QWRGUYRKSA-N 1 2 379.258 2.074 20 0 GEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000860564798 653630820 /nfs/dbraw/zinc/63/08/20/653630820.db2.gz VXGHQWCIBWPDPW-QWRGUYRKSA-N 1 2 379.258 2.074 20 0 GEADLO Cc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(C)c[nH+]1 ZINC000780714224 653631301 /nfs/dbraw/zinc/63/13/01/653631301.db2.gz YAHXJPJETUEXKE-UHFFFAOYSA-N 1 2 394.396 2.215 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000838848042 653631937 /nfs/dbraw/zinc/63/19/37/653631937.db2.gz PKTHZVDNAWGPMT-RUZDIDTESA-N 1 2 390.908 2.021 20 0 GEADLO NC(=O)c1cc(OC2CC[NH+](Cc3ncccc3Br)CC2)ccn1 ZINC000878339469 653635054 /nfs/dbraw/zinc/63/50/54/653635054.db2.gz CJVIFENFIUDBNF-UHFFFAOYSA-N 1 2 391.269 2.381 20 0 GEADLO COC(=O)c1ccc2c(c1)C[N@@H+](C[C@@H](O)c1cc(Br)no1)CC2 ZINC000878338257 653635057 /nfs/dbraw/zinc/63/50/57/653635057.db2.gz ZMHROQAUKSTEGI-CYBMUJFWSA-N 1 2 381.226 2.315 20 0 GEADLO COC(=O)c1ccc2c(c1)C[N@H+](C[C@@H](O)c1cc(Br)no1)CC2 ZINC000878338257 653635058 /nfs/dbraw/zinc/63/50/58/653635058.db2.gz ZMHROQAUKSTEGI-CYBMUJFWSA-N 1 2 381.226 2.315 20 0 GEADLO COC(=O)c1cccc(Br)c1C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000814634351 653637772 /nfs/dbraw/zinc/63/77/72/653637772.db2.gz XZMFQMJBQDDFAF-UHFFFAOYSA-N 1 2 383.242 2.310 20 0 GEADLO C[N@H+](CCC(=O)N1CCCC1)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000838980083 653638684 /nfs/dbraw/zinc/63/86/84/653638684.db2.gz RFQNGTRCYFIBOA-UHFFFAOYSA-N 1 2 392.301 2.474 20 0 GEADLO C[N@@H+](CCC(=O)N1CCCC1)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000838980083 653638686 /nfs/dbraw/zinc/63/86/86/653638686.db2.gz RFQNGTRCYFIBOA-UHFFFAOYSA-N 1 2 392.301 2.474 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)OCCn2cc[nH+]c2)c1 ZINC000781721482 653647782 /nfs/dbraw/zinc/64/77/82/653647782.db2.gz LTGVFLIMJLULJV-UHFFFAOYSA-N 1 2 387.255 2.296 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000815083332 653650699 /nfs/dbraw/zinc/65/06/99/653650699.db2.gz MVJRXTOKPXBAFK-AOOOYVTPSA-N 1 2 395.294 2.310 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000815083332 653650701 /nfs/dbraw/zinc/65/07/01/653650701.db2.gz MVJRXTOKPXBAFK-AOOOYVTPSA-N 1 2 395.294 2.310 20 0 GEADLO CCS(=O)(=O)CCN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000839602270 653657059 /nfs/dbraw/zinc/65/70/59/653657059.db2.gz YTLJFQGXKLTTDW-UHFFFAOYSA-N 1 2 390.303 2.176 20 0 GEADLO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2cc(Br)no2)Cc2ccccc21 ZINC000879061877 653657510 /nfs/dbraw/zinc/65/75/10/653657510.db2.gz GPNHURBEHBAMPV-CHWSQXEVSA-N 1 2 381.226 2.243 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)c2cc(Br)no2)Cc2ccccc21 ZINC000879061877 653657511 /nfs/dbraw/zinc/65/75/11/653657511.db2.gz GPNHURBEHBAMPV-CHWSQXEVSA-N 1 2 381.226 2.243 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1cccc2nsnc21 ZINC000861594297 653662109 /nfs/dbraw/zinc/66/21/09/653662109.db2.gz NTMQTFLUYTYSGU-INIZCTEOSA-N 1 2 379.511 2.021 20 0 GEADLO CC(=O)Nc1cccc2c1C[N@H+](C[C@@H](O)c1cc(Br)no1)CC2 ZINC000879237798 653663642 /nfs/dbraw/zinc/66/36/42/653663642.db2.gz IBAFLRYXFTXVQD-CQSZACIVSA-N 1 2 380.242 2.487 20 0 GEADLO CC(=O)Nc1cccc2c1C[N@@H+](C[C@@H](O)c1cc(Br)no1)CC2 ZINC000879237798 653663644 /nfs/dbraw/zinc/66/36/44/653663644.db2.gz IBAFLRYXFTXVQD-CQSZACIVSA-N 1 2 380.242 2.487 20 0 GEADLO COC(=O)c1sc2[nH]c(C[N@@H+]3CC[C@@H]4CSC[C@H]4C3)nc(=O)c2c1C ZINC000879561640 653673152 /nfs/dbraw/zinc/67/31/52/653673152.db2.gz RQELMRBDUDVEEG-GHMZBOCLSA-N 1 2 379.507 2.265 20 0 GEADLO COC(=O)c1sc2[nH]c(C[N@H+]3CC[C@@H]4CSC[C@H]4C3)nc(=O)c2c1C ZINC000879561640 653673154 /nfs/dbraw/zinc/67/31/54/653673154.db2.gz RQELMRBDUDVEEG-GHMZBOCLSA-N 1 2 379.507 2.265 20 0 GEADLO O[C@@H](C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1)c1cc(Br)no1 ZINC000879692944 653678980 /nfs/dbraw/zinc/67/89/80/653678980.db2.gz GQIJRBJMPNWMSX-STQMWFEESA-N 1 2 379.258 2.350 20 0 GEADLO O[C@@H](C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1)c1cc(Br)no1 ZINC000879692944 653678982 /nfs/dbraw/zinc/67/89/82/653678982.db2.gz GQIJRBJMPNWMSX-STQMWFEESA-N 1 2 379.258 2.350 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000862247936 653681690 /nfs/dbraw/zinc/68/16/90/653681690.db2.gz DRIOAXDPBDRPKW-RUZDIDTESA-N 1 2 382.423 2.263 20 0 GEADLO CCn1nncc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000816409667 653683918 /nfs/dbraw/zinc/68/39/18/653683918.db2.gz XZYKEXAGWYEKHC-UHFFFAOYSA-N 1 2 393.289 2.065 20 0 GEADLO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2nc3ccccn3c2Br)n1 ZINC000862545616 653688202 /nfs/dbraw/zinc/68/82/02/653688202.db2.gz ZBHVGRJCUGDISY-GXFFZTMASA-N 1 2 378.230 2.408 20 0 GEADLO C[S@@](=N)(=O)N1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000879943316 653689450 /nfs/dbraw/zinc/68/94/50/653689450.db2.gz FQNRCIMPYXRBTO-VWLOTQADSA-N 1 2 378.420 2.243 20 0 GEADLO C[C@@H](NC(=S)NC[C@@H]1CN(C)CC[N@@H+]1C)c1ccc(Br)cc1 ZINC000840729436 653692179 /nfs/dbraw/zinc/69/21/79/653692179.db2.gz ORMXNBRDMFVCFO-IUODEOHRSA-N 1 2 385.375 2.220 20 0 GEADLO C[C@@H](NC(=S)NC[C@@H]1CN(C)CC[N@H+]1C)c1ccc(Br)cc1 ZINC000840729436 653692183 /nfs/dbraw/zinc/69/21/83/653692183.db2.gz ORMXNBRDMFVCFO-IUODEOHRSA-N 1 2 385.375 2.220 20 0 GEADLO COc1ccc(OCc2nc(C[NH2+]CCS(=O)(=O)C3CC3)cs2)cc1 ZINC000840965038 653704066 /nfs/dbraw/zinc/70/40/66/653704066.db2.gz WEAGUVKGPBVNJO-UHFFFAOYSA-N 1 2 382.507 2.398 20 0 GEADLO COC(=O)[C@]1(O)CC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000880561111 653708152 /nfs/dbraw/zinc/70/81/52/653708152.db2.gz JAGGBBMOQIDNGY-INIZCTEOSA-N 1 2 381.226 2.214 20 0 GEADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000880561111 653708153 /nfs/dbraw/zinc/70/81/53/653708153.db2.gz JAGGBBMOQIDNGY-INIZCTEOSA-N 1 2 381.226 2.214 20 0 GEADLO CNC(=O)[C@@H]1CC[N@H+](Cn2nc(Nc3ccc(OC)cc3)sc2=S)C1 ZINC000817369784 653709168 /nfs/dbraw/zinc/70/91/68/653709168.db2.gz HBJVVROUXDKNTP-LLVKDONJSA-N 1 2 379.511 2.452 20 0 GEADLO CNC(=O)[C@@H]1CC[N@@H+](Cn2nc(Nc3ccc(OC)cc3)sc2=S)C1 ZINC000817369784 653709173 /nfs/dbraw/zinc/70/91/73/653709173.db2.gz HBJVVROUXDKNTP-LLVKDONJSA-N 1 2 379.511 2.452 20 0 GEADLO Cc1cnc(Br)c(NC(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000817391811 653709892 /nfs/dbraw/zinc/70/98/92/653709892.db2.gz FGJMZORJFMBUSN-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO Cn1ncc(Br)c1C[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000785488059 653710233 /nfs/dbraw/zinc/71/02/33/653710233.db2.gz WQWDSUQVDCKOMD-GFCCVEGCSA-N 1 2 385.212 2.356 20 0 GEADLO COC[C@H](C)[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785529386 653711692 /nfs/dbraw/zinc/71/16/92/653711692.db2.gz LPYJTQRASRBNNZ-LBPRGKRZSA-N 1 2 394.331 2.339 20 0 GEADLO COC[C@H](C)[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785529386 653711694 /nfs/dbraw/zinc/71/16/94/653711694.db2.gz LPYJTQRASRBNNZ-LBPRGKRZSA-N 1 2 394.331 2.339 20 0 GEADLO Cc1cc2c(o1)c(C(=O)N1CCC[N@H+](CC(N)=O)CC1)ccc2Br ZINC000785578774 653712643 /nfs/dbraw/zinc/71/26/43/653712643.db2.gz BELYKLACWODDJA-UHFFFAOYSA-N 1 2 394.269 2.137 20 0 GEADLO Cc1cc2c(o1)c(C(=O)N1CCC[N@@H+](CC(N)=O)CC1)ccc2Br ZINC000785578774 653712645 /nfs/dbraw/zinc/71/26/45/653712645.db2.gz BELYKLACWODDJA-UHFFFAOYSA-N 1 2 394.269 2.137 20 0 GEADLO CCC1([NH+]2CCOCC2)CCN(C(=O)c2n[nH]c(C)c2Br)CC1 ZINC000863491971 653714365 /nfs/dbraw/zinc/71/43/65/653714365.db2.gz GQCFQLFQQBJDBQ-UHFFFAOYSA-N 1 2 385.306 2.198 20 0 GEADLO COC(=O)c1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c(Br)c1 ZINC000785853501 653716008 /nfs/dbraw/zinc/71/60/08/653716008.db2.gz SEFRCYWSUJFWCZ-LLVKDONJSA-N 1 2 392.253 2.311 20 0 GEADLO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000818005079 653723719 /nfs/dbraw/zinc/72/37/19/653723719.db2.gz MLHRWOFOUQUUGN-NSHDSACASA-N 1 2 378.420 2.252 20 0 GEADLO COC1CC[NH+](Cc2cn(C[C@H](O)c3ccccc3Br)nn2)CC1 ZINC000881417681 653730330 /nfs/dbraw/zinc/73/03/30/653730330.db2.gz AGIFNANKURBRHH-KRWDZBQOSA-N 1 2 395.301 2.385 20 0 GEADLO O=C(OCCn1cc[nH+]c1)c1ccnc(Cl)c1I ZINC000786901264 653730717 /nfs/dbraw/zinc/73/07/17/653730717.db2.gz PCDGVGUHORATEJ-UHFFFAOYSA-N 1 2 377.569 2.393 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@](C)(CO)Cc1ccc(Br)cc1 ZINC000864414744 653735368 /nfs/dbraw/zinc/73/53/68/653735368.db2.gz WIVOPLVPKWIJTM-DYVFJYSZSA-N 1 2 395.301 2.327 20 0 GEADLO CC[C@H](C[N@H+](C)CN1C(=O)C(=O)N(C)C1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787243717 653735888 /nfs/dbraw/zinc/73/58/88/653735888.db2.gz CJWCLEJLILIHFC-SNVBAGLBSA-N 1 2 388.251 2.461 20 0 GEADLO CC[C@H](C[N@@H+](C)CN1C(=O)C(=O)N(C)C1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787243717 653735889 /nfs/dbraw/zinc/73/58/89/653735889.db2.gz CJWCLEJLILIHFC-SNVBAGLBSA-N 1 2 388.251 2.461 20 0 GEADLO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cnn1C ZINC000787389862 653738089 /nfs/dbraw/zinc/73/80/89/653738089.db2.gz NEDYWJKNQTYRQY-UHFFFAOYSA-N 1 2 392.301 2.495 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)c3c[nH]c(=S)[nH]3)cc2Br)CC1 ZINC000787669720 653741837 /nfs/dbraw/zinc/74/18/37/653741837.db2.gz AIIXBOHQUYNTIC-UHFFFAOYSA-N 1 2 396.314 2.465 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)Nc1cc2c(cc1Br)OCCO2 ZINC000864656680 653742929 /nfs/dbraw/zinc/74/29/29/653742929.db2.gz KQUXKLVFMPVCPX-OWOJBTEDSA-N 1 2 383.242 2.047 20 0 GEADLO O=C(OCCC[NH+]1CCOCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000842139427 653746489 /nfs/dbraw/zinc/74/64/89/653746489.db2.gz WHNFPWDDIARGFC-UHFFFAOYSA-N 1 2 396.237 2.435 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000881914989 653749952 /nfs/dbraw/zinc/74/99/52/653749952.db2.gz VMLWEIPPWWPXHE-QGZVFWFLSA-N 1 2 380.897 2.340 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NC[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000881914989 653749953 /nfs/dbraw/zinc/74/99/53/653749953.db2.gz VMLWEIPPWWPXHE-QGZVFWFLSA-N 1 2 380.897 2.340 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)c1 ZINC000842482661 653757926 /nfs/dbraw/zinc/75/79/26/653757926.db2.gz UNQYHUVJZURPDC-MRXNPFEDSA-N 1 2 379.869 2.273 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(C)nc1Cl)[NH+]1CCOCC1 ZINC000788588539 653759951 /nfs/dbraw/zinc/75/99/51/653759951.db2.gz IADVCFAYBHVYQE-HNNXBMFYSA-N 1 2 389.949 2.459 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1cc(F)ccc1Br ZINC000788607383 653760518 /nfs/dbraw/zinc/76/05/18/653760518.db2.gz ZOZFMOIVBYGFOL-AWEZNQCLSA-N 1 2 398.232 2.075 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882151961 653766258 /nfs/dbraw/zinc/76/62/58/653766258.db2.gz IIZRGDLXGDNJAA-RKDXNWHRSA-N 1 2 383.212 2.097 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882151961 653766261 /nfs/dbraw/zinc/76/62/61/653766261.db2.gz IIZRGDLXGDNJAA-RKDXNWHRSA-N 1 2 383.212 2.097 20 0 GEADLO CCCn1cc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000865546222 653768156 /nfs/dbraw/zinc/76/81/56/653768156.db2.gz WFVQWJDOVDNZDJ-OAHLLOKOSA-N 1 2 378.274 2.346 20 0 GEADLO C[C@@H]1CCN(c2ccc(Br)cc2S(N)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000865611294 653770079 /nfs/dbraw/zinc/77/00/79/653770079.db2.gz IIHWRKLVHAERJL-BXUZGUMPSA-N 1 2 399.314 2.381 20 0 GEADLO O=C(OCC1CN(c2cccc[nH+]2)C1)c1cnn2cc(Br)cnc12 ZINC000842887978 653771991 /nfs/dbraw/zinc/77/19/91/653771991.db2.gz HEMDQTFQRFKGJB-UHFFFAOYSA-N 1 2 388.225 2.180 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)COc1ccc(F)cc1Cl ZINC000842962506 653774744 /nfs/dbraw/zinc/77/47/44/653774744.db2.gz HWGMGQFEPNLICB-JSGCOSHPSA-N 1 2 375.824 2.137 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)COc1ccc(F)cc1Cl ZINC000842962506 653774746 /nfs/dbraw/zinc/77/47/46/653774746.db2.gz HWGMGQFEPNLICB-JSGCOSHPSA-N 1 2 375.824 2.137 20 0 GEADLO C[NH+](C)CCOC1CCN(C(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000865780652 653774890 /nfs/dbraw/zinc/77/48/90/653774890.db2.gz OTPALQNLYCOGGK-UHFFFAOYSA-N 1 2 389.265 2.477 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1csc(Br)c1 ZINC000842964672 653774966 /nfs/dbraw/zinc/77/49/66/653774966.db2.gz MSSTWNUKOXHGIK-CMPLNLGQSA-N 1 2 378.288 2.403 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1csc(Br)c1 ZINC000842964672 653774968 /nfs/dbraw/zinc/77/49/68/653774968.db2.gz MSSTWNUKOXHGIK-CMPLNLGQSA-N 1 2 378.288 2.403 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1csc(Br)c1 ZINC000842964675 653774991 /nfs/dbraw/zinc/77/49/91/653774991.db2.gz MSSTWNUKOXHGIK-JQWIXIFHSA-N 1 2 378.288 2.403 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1csc(Br)c1 ZINC000842964675 653774993 /nfs/dbraw/zinc/77/49/93/653774993.db2.gz MSSTWNUKOXHGIK-JQWIXIFHSA-N 1 2 378.288 2.403 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)CSc1ccc(F)c(F)c1 ZINC000842967389 653775514 /nfs/dbraw/zinc/77/55/14/653775514.db2.gz SYBLKAOQQOSWII-QWHCGFSZSA-N 1 2 375.437 2.336 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)CSc1ccc(F)c(F)c1 ZINC000842967389 653775517 /nfs/dbraw/zinc/77/55/17/653775517.db2.gz SYBLKAOQQOSWII-QWHCGFSZSA-N 1 2 375.437 2.336 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cccc(Br)c1F ZINC000842970158 653775865 /nfs/dbraw/zinc/77/58/65/653775865.db2.gz YMVHVGUBRBMSTD-VXGBXAGGSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cccc(Br)c1F ZINC000842970158 653775867 /nfs/dbraw/zinc/77/58/67/653775867.db2.gz YMVHVGUBRBMSTD-VXGBXAGGSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cccc(Br)c1F ZINC000842970155 653775885 /nfs/dbraw/zinc/77/58/85/653775885.db2.gz YMVHVGUBRBMSTD-NWDGAFQWSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cccc(Br)c1F ZINC000842970155 653775886 /nfs/dbraw/zinc/77/58/86/653775886.db2.gz YMVHVGUBRBMSTD-NWDGAFQWSA-N 1 2 390.249 2.481 20 0 GEADLO C[C@@H](CNC(=O)Cc1ccc(Br)cc1Cl)[NH+]1CCN(C)CC1 ZINC000865816950 653776087 /nfs/dbraw/zinc/77/60/87/653776087.db2.gz VCSOMZOLAZREOK-LBPRGKRZSA-N 1 2 388.737 2.397 20 0 GEADLO CC(=O)Nc1cccc(C[NH2+]Cc2c(I)cnn2C)c1 ZINC000865867200 653777691 /nfs/dbraw/zinc/77/76/91/653777691.db2.gz FVRICZWHPAVOIF-UHFFFAOYSA-N 1 2 384.221 2.273 20 0 GEADLO CC(C)(C)OC(=O)N1CCC[N@H+](CCOC(=O)[C@H]2CSCCS2)CC1 ZINC000789791893 653781509 /nfs/dbraw/zinc/78/15/09/653781509.db2.gz JXYPEUHEPWSZCH-CQSZACIVSA-N 1 2 390.571 2.321 20 0 GEADLO CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC(=O)[C@H]2CSCCS2)CC1 ZINC000789791893 653781513 /nfs/dbraw/zinc/78/15/13/653781513.db2.gz JXYPEUHEPWSZCH-CQSZACIVSA-N 1 2 390.571 2.321 20 0 GEADLO O=S(=O)(Cc1noc(C[NH2+]C[C@@H]2CCCO2)n1)Cc1ccc(Cl)cc1 ZINC000843239343 653782329 /nfs/dbraw/zinc/78/23/29/653782329.db2.gz JUWKALQFEPANTE-AWEZNQCLSA-N 1 2 385.873 2.107 20 0 GEADLO C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000820820783 653784607 /nfs/dbraw/zinc/78/46/07/653784607.db2.gz BJVBHWDQOCSMKT-NSHDSACASA-N 1 2 379.507 2.130 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cn(C(C)(C)C)nc1Br ZINC000790132757 653787074 /nfs/dbraw/zinc/78/70/74/653787074.db2.gz QQYLQKXIJWUYIL-LBPRGKRZSA-N 1 2 387.322 2.193 20 0 GEADLO C[C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)Oc1ccc(Br)cc1 ZINC000866182859 653788207 /nfs/dbraw/zinc/78/82/07/653788207.db2.gz GSFOKBLCSOOSBR-BAABZTOOSA-N 1 2 383.286 2.221 20 0 GEADLO CCn1ncc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1Br ZINC000821086747 653790157 /nfs/dbraw/zinc/79/01/57/653790157.db2.gz DLWLRVVAVSRRLH-UHFFFAOYSA-N 1 2 394.273 2.458 20 0 GEADLO COc1cc(CS(=O)(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)sn1 ZINC000882614126 653790772 /nfs/dbraw/zinc/79/07/72/653790772.db2.gz KORHNVIBNQUBKC-CQSZACIVSA-N 1 2 381.523 2.360 20 0 GEADLO COC(=O)CC[N@H+](Cc1cccc(Br)c1)CN1C[C@H](OC)CC1=O ZINC000790456552 653792573 /nfs/dbraw/zinc/79/25/73/653792573.db2.gz ZMXICADWXVRDGD-OAHLLOKOSA-N 1 2 399.285 2.019 20 0 GEADLO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)CN1C[C@H](OC)CC1=O ZINC000790456552 653792574 /nfs/dbraw/zinc/79/25/74/653792574.db2.gz ZMXICADWXVRDGD-OAHLLOKOSA-N 1 2 399.285 2.019 20 0 GEADLO CN1C(=O)CS/C1=C/C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000821319380 653794420 /nfs/dbraw/zinc/79/44/20/653794420.db2.gz WVLSLVGRPFLQCW-LGWJHXDISA-N 1 2 383.876 2.387 20 0 GEADLO CN1C(=O)CS/C1=C/C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000821319380 653794421 /nfs/dbraw/zinc/79/44/21/653794421.db2.gz WVLSLVGRPFLQCW-LGWJHXDISA-N 1 2 383.876 2.387 20 0 GEADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000882735149 653801311 /nfs/dbraw/zinc/80/13/11/653801311.db2.gz XBRJHOWTACTWEL-CQSZACIVSA-N 1 2 377.242 2.105 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000866544616 653801597 /nfs/dbraw/zinc/80/15/97/653801597.db2.gz XCPIYZHNEPLWPH-UHFFFAOYSA-N 1 2 391.534 2.132 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844146092 653802382 /nfs/dbraw/zinc/80/23/82/653802382.db2.gz HNTAFKPRAQZAKK-CJNGLKHVSA-N 1 2 378.270 2.400 20 0 GEADLO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866581169 653803907 /nfs/dbraw/zinc/80/39/07/653803907.db2.gz CDOISADIDKLHTH-DGCLKSJQSA-N 1 2 399.314 2.286 20 0 GEADLO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866581169 653803910 /nfs/dbraw/zinc/80/39/10/653803910.db2.gz CDOISADIDKLHTH-DGCLKSJQSA-N 1 2 399.314 2.286 20 0 GEADLO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000844701172 653814252 /nfs/dbraw/zinc/81/42/52/653814252.db2.gz FTWLJPFSIPAMAM-INIZCTEOSA-N 1 2 388.269 2.171 20 0 GEADLO O=C1C=C(c2ccc(Br)cc2)CN1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000844701172 653814255 /nfs/dbraw/zinc/81/42/55/653814255.db2.gz FTWLJPFSIPAMAM-INIZCTEOSA-N 1 2 388.269 2.171 20 0 GEADLO CC(=O)N[C@H](C(=O)N(C)CCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000866745088 653818297 /nfs/dbraw/zinc/81/82/97/653818297.db2.gz UMDPLZYCMIBJAR-INIZCTEOSA-N 1 2 393.285 2.372 20 0 GEADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)CC[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000822156680 653819736 /nfs/dbraw/zinc/81/97/36/653819736.db2.gz WAWKBCPICLIFAL-HNNXBMFYSA-N 1 2 384.307 2.404 20 0 GEADLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1nc(Br)ccc1F ZINC000791646585 653820128 /nfs/dbraw/zinc/82/01/28/653820128.db2.gz MJBIKHRQLBINIQ-STQMWFEESA-N 1 2 386.265 2.356 20 0 GEADLO C[C@]1(CCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@]1(F)Cl ZINC000844913393 653828891 /nfs/dbraw/zinc/82/88/91/653828891.db2.gz VUXDPNNISXOPPD-HRCADAONSA-N 1 2 379.929 2.198 20 0 GEADLO O=C(NCCC[C@H]1CC1(Cl)Cl)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000844913369 653828915 /nfs/dbraw/zinc/82/89/15/653828915.db2.gz VQTGYQYRELKJIO-DZGCQCFKSA-N 1 2 396.384 2.468 20 0 GEADLO Cc1cc([C@H](C)[NH2+]Cc2nnc3c(=O)n(C)ccn23)sc1Br ZINC000883331750 653835522 /nfs/dbraw/zinc/83/55/22/653835522.db2.gz FWRMUYQQUSVNSL-VIFPVBQESA-N 1 2 382.287 2.411 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)s1 ZINC000822676002 653836180 /nfs/dbraw/zinc/83/61/80/653836180.db2.gz OYTFCINHCYLMMQ-OAHLLOKOSA-N 1 2 388.555 2.158 20 0 GEADLO COC(OC)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000822685366 653836384 /nfs/dbraw/zinc/83/63/84/653836384.db2.gz YQOVDJVDDZWESN-UHFFFAOYSA-N 1 2 382.258 2.293 20 0 GEADLO C[NH+](C)Cc1csc(CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)n1 ZINC000895484220 653837580 /nfs/dbraw/zinc/83/75/80/653837580.db2.gz HFMGUTOQSNTHQR-UHFFFAOYSA-N 1 2 394.444 2.483 20 0 GEADLO Cn1ncc(I)c1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000895511754 653838675 /nfs/dbraw/zinc/83/86/75/653838675.db2.gz BZQYUDQEBGWLIN-JNSHFYNHSA-N 1 2 383.233 2.165 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000866864462 653840383 /nfs/dbraw/zinc/84/03/83/653840383.db2.gz ITQFVHNSXHFMFL-OQQHHNTDSA-N 1 2 379.573 2.083 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000866864462 653840384 /nfs/dbraw/zinc/84/03/84/653840384.db2.gz ITQFVHNSXHFMFL-OQQHHNTDSA-N 1 2 379.573 2.083 20 0 GEADLO Cc1cc(S(=O)(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)sn1 ZINC000866878257 653841805 /nfs/dbraw/zinc/84/18/05/653841805.db2.gz NWFFPAWOOTXSDM-UHFFFAOYSA-N 1 2 380.539 2.465 20 0 GEADLO O=C(Nc1nnc(SCc2ccccc2)s1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895589078 653842172 /nfs/dbraw/zinc/84/21/72/653842172.db2.gz GIFQTROZDBSPOY-AWEZNQCLSA-N 1 2 376.507 2.490 20 0 GEADLO C[C@H](CC(=O)OCc1cc(=O)n2cc(Br)ccc2n1)n1cc[nH+]c1 ZINC000845277728 653842447 /nfs/dbraw/zinc/84/24/47/653842447.db2.gz ATHJQMCNYJRDLL-LLVKDONJSA-N 1 2 391.225 2.348 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000895624011 653843663 /nfs/dbraw/zinc/84/36/63/653843663.db2.gz BYBZXHZGVGZFEW-CALCHBBNSA-N 1 2 385.302 2.220 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000895624011 653843668 /nfs/dbraw/zinc/84/36/68/653843668.db2.gz BYBZXHZGVGZFEW-CALCHBBNSA-N 1 2 385.302 2.220 20 0 GEADLO CN(C(=O)c1nc(Br)c2ccccn21)C(C)(C)C[NH+]1CCOCC1 ZINC000822862815 653843776 /nfs/dbraw/zinc/84/37/76/653843776.db2.gz WVTJOMBRUJGIEA-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO COC[C@H]([NH3+])c1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000822947603 653846837 /nfs/dbraw/zinc/84/68/37/653846837.db2.gz VWTIZMAJLWZAJP-NSHDSACASA-N 1 2 384.230 2.230 20 0 GEADLO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCOC2=O)CC1 ZINC000895804947 653851135 /nfs/dbraw/zinc/85/11/35/653851135.db2.gz PBTNBPQQROUJFJ-HNNXBMFYSA-N 1 2 381.270 2.267 20 0 GEADLO COC(=O)C1(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CCCCC1 ZINC000792901934 653855234 /nfs/dbraw/zinc/85/52/34/653855234.db2.gz GYFWHJRCCODEDM-SWLSCSKDSA-N 1 2 377.312 2.494 20 0 GEADLO COC(=O)C1(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CCCCC1 ZINC000792901934 653855237 /nfs/dbraw/zinc/85/52/37/653855237.db2.gz GYFWHJRCCODEDM-SWLSCSKDSA-N 1 2 377.312 2.494 20 0 GEADLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000895926628 653857131 /nfs/dbraw/zinc/85/71/31/653857131.db2.gz IWLUGJFXGTYPGV-PWSUYJOCSA-N 1 2 377.304 2.096 20 0 GEADLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000895926628 653857134 /nfs/dbraw/zinc/85/71/34/653857134.db2.gz IWLUGJFXGTYPGV-PWSUYJOCSA-N 1 2 377.304 2.096 20 0 GEADLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc2nc(Cl)ncc2s1 ZINC000867005485 653864181 /nfs/dbraw/zinc/86/41/81/653864181.db2.gz CTPBRNDZSIGZQU-SNVBAGLBSA-N 1 2 395.897 2.297 20 0 GEADLO CC[C@H](CO)Nc1cc(NCC2(n3cc(Br)cn3)CC2)[nH+]cn1 ZINC000896160546 653866767 /nfs/dbraw/zinc/86/67/67/653866767.db2.gz CKOJKKWCBIPUCL-GFCCVEGCSA-N 1 2 381.278 2.220 20 0 GEADLO CC[C@H](CO)Nc1cc(NCC2(n3cc(Br)cn3)CC2)nc[nH+]1 ZINC000896160546 653866776 /nfs/dbraw/zinc/86/67/76/653866776.db2.gz CKOJKKWCBIPUCL-GFCCVEGCSA-N 1 2 381.278 2.220 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000793255438 653872535 /nfs/dbraw/zinc/87/25/35/653872535.db2.gz KVWDKNPTXZPXLA-HNNXBMFYSA-N 1 2 392.253 2.321 20 0 GEADLO C[C@](O)(C(=O)N[C@H]1CCn2c[nH+]cc2C1)c1ccc(F)c(Br)c1 ZINC000823635380 653874947 /nfs/dbraw/zinc/87/49/47/653874947.db2.gz XXYSRHQQQBNSQV-MEDUHNTESA-N 1 2 382.233 2.123 20 0 GEADLO C[C@@](O)(C(=O)N[C@H]1CCn2c[nH+]cc2C1)c1ccc(F)c(Br)c1 ZINC000823635381 653875093 /nfs/dbraw/zinc/87/50/93/653875093.db2.gz XXYSRHQQQBNSQV-ZBEGNZNMSA-N 1 2 382.233 2.123 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000867088793 653876809 /nfs/dbraw/zinc/87/68/09/653876809.db2.gz AVFXNTZVDPJOPO-UHFFFAOYSA-N 1 2 376.548 2.128 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000793620339 653881074 /nfs/dbraw/zinc/88/10/74/653881074.db2.gz OFVMSUGQCJRYCY-PBHICJAKSA-N 1 2 387.933 2.207 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000793620339 653881076 /nfs/dbraw/zinc/88/10/76/653881076.db2.gz OFVMSUGQCJRYCY-PBHICJAKSA-N 1 2 387.933 2.207 20 0 GEADLO C[C@H](NC(=O)Cc1c(F)ccc(Br)c1F)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896541527 653883626 /nfs/dbraw/zinc/88/36/26/653883626.db2.gz KNKXHMZIYFDEAX-HZMBPMFUSA-N 1 2 390.272 2.020 20 0 GEADLO C[C@H](NC(=O)Cc1c(F)ccc(Br)c1F)[C@@H]1CN(C)CC[N@H+]1C ZINC000896541527 653883629 /nfs/dbraw/zinc/88/36/29/653883629.db2.gz KNKXHMZIYFDEAX-HZMBPMFUSA-N 1 2 390.272 2.020 20 0 GEADLO C[C@@H](NC(=O)Cc1c(F)ccc(Br)c1F)[C@H]1CN(C)CC[N@@H+]1C ZINC000896541529 653883634 /nfs/dbraw/zinc/88/36/34/653883634.db2.gz KNKXHMZIYFDEAX-QMTHXVAHSA-N 1 2 390.272 2.020 20 0 GEADLO C[C@@H](NC(=O)Cc1c(F)ccc(Br)c1F)[C@H]1CN(C)CC[N@H+]1C ZINC000896541529 653883635 /nfs/dbraw/zinc/88/36/35/653883635.db2.gz KNKXHMZIYFDEAX-QMTHXVAHSA-N 1 2 390.272 2.020 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896551365 653884911 /nfs/dbraw/zinc/88/49/11/653884911.db2.gz YOJOJQZQFYDPPV-CPUCHLNUSA-N 1 2 382.346 2.378 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896551365 653884915 /nfs/dbraw/zinc/88/49/15/653884915.db2.gz YOJOJQZQFYDPPV-CPUCHLNUSA-N 1 2 382.346 2.378 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cc2cccnc21)[C@H]1CN(C)CC[N@@H+]1C ZINC000896554967 653885073 /nfs/dbraw/zinc/88/50/73/653885073.db2.gz XXESNXSVLVIHTJ-MLGOLLRUSA-N 1 2 391.313 2.361 20 0 GEADLO C[C@@H](NC(=O)c1cc(Br)cc2cccnc21)[C@H]1CN(C)CC[N@H+]1C ZINC000896554967 653885074 /nfs/dbraw/zinc/88/50/74/653885074.db2.gz XXESNXSVLVIHTJ-MLGOLLRUSA-N 1 2 391.313 2.361 20 0 GEADLO C[C@@H]1[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC[N@@H+]1C ZINC000824119630 653886468 /nfs/dbraw/zinc/88/64/68/653886468.db2.gz LUDLBDMPGLOALN-BXUZGUMPSA-N 1 2 380.495 2.223 20 0 GEADLO C[C@@H]1[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC[N@H+]1C ZINC000824119630 653886472 /nfs/dbraw/zinc/88/64/72/653886472.db2.gz LUDLBDMPGLOALN-BXUZGUMPSA-N 1 2 380.495 2.223 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1snc(Cl)c1Cl)C2 ZINC000846122823 653888058 /nfs/dbraw/zinc/88/80/58/653888058.db2.gz QKFQMGOWHQXQDQ-QMMMGPOBSA-N 1 2 375.281 2.234 20 0 GEADLO COc1cc(NC(=O)/C=C\C[NH+]2CCOCC2)cc(OC)c1Br ZINC000867230172 653898947 /nfs/dbraw/zinc/89/89/47/653898947.db2.gz MELLGRLEOWICIK-ARJAWSKDSA-N 1 2 385.258 2.293 20 0 GEADLO O=S(=O)(Cc1ccc(F)cc1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000867233420 653899510 /nfs/dbraw/zinc/89/95/10/653899510.db2.gz QPFVHPCUWGOJCN-AWEZNQCLSA-N 1 2 390.908 2.353 20 0 GEADLO COC(=O)c1ccoc1S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000867240341 653901485 /nfs/dbraw/zinc/90/14/85/653901485.db2.gz BUNUGMILBZCFSL-AWEZNQCLSA-N 1 2 386.857 2.301 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cccc(Br)n2)C1)C1CC1 ZINC000794570332 653911890 /nfs/dbraw/zinc/91/18/90/653911890.db2.gz XIWPLFSMMJRQBJ-GFCCVEGCSA-N 1 2 388.331 2.138 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cccc(Br)n2)C1)C1CC1 ZINC000794570332 653911893 /nfs/dbraw/zinc/91/18/93/653911893.db2.gz XIWPLFSMMJRQBJ-GFCCVEGCSA-N 1 2 388.331 2.138 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)c3nccnc3c2)[C@H](C)CO1 ZINC000824949370 653913153 /nfs/dbraw/zinc/91/31/53/653913153.db2.gz KEPUFMMUJSYHDP-VXGBXAGGSA-N 1 2 393.285 2.231 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)c3nccnc3c2)[C@H](C)CO1 ZINC000824949370 653913157 /nfs/dbraw/zinc/91/31/57/653913157.db2.gz KEPUFMMUJSYHDP-VXGBXAGGSA-N 1 2 393.285 2.231 20 0 GEADLO COc1nsc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1Br ZINC000897260072 653913324 /nfs/dbraw/zinc/91/33/24/653913324.db2.gz XJXMLIXKSOINQS-SNVBAGLBSA-N 1 2 377.304 2.420 20 0 GEADLO CCc1nn(C)c(CC)c1C[N@@H+]1CCn2ncc(I)c2C1 ZINC000897291334 653914791 /nfs/dbraw/zinc/91/47/91/653914791.db2.gz KQJSYXILBCYHSV-UHFFFAOYSA-N 1 2 399.280 2.362 20 0 GEADLO CCc1nn(C)c(CC)c1C[N@H+]1CCn2ncc(I)c2C1 ZINC000897291334 653914794 /nfs/dbraw/zinc/91/47/94/653914794.db2.gz KQJSYXILBCYHSV-UHFFFAOYSA-N 1 2 399.280 2.362 20 0 GEADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](CO)c2cccc(Br)c2)[nH]n1 ZINC000897329324 653916585 /nfs/dbraw/zinc/91/65/85/653916585.db2.gz JXCRZIXXNUMNTO-HZPDHXFCSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](CO)c2cccc(Br)c2)[nH]n1 ZINC000897329324 653916590 /nfs/dbraw/zinc/91/65/90/653916590.db2.gz JXCRZIXXNUMNTO-HZPDHXFCSA-N 1 2 393.285 2.402 20 0 GEADLO C[C@]1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1(Br)Br ZINC000825186335 653919960 /nfs/dbraw/zinc/91/99/60/653919960.db2.gz ZRCZLJLJEZUXMJ-GFCCVEGCSA-N 1 2 398.139 2.110 20 0 GEADLO C[C@]1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1(Br)Br ZINC000825186335 653919963 /nfs/dbraw/zinc/91/99/63/653919963.db2.gz ZRCZLJLJEZUXMJ-GFCCVEGCSA-N 1 2 398.139 2.110 20 0 GEADLO Cc1nc(N2CCN(C(=O)c3cnn(C(C)C)c3Br)CC2)cc[nH+]1 ZINC000867403041 653927765 /nfs/dbraw/zinc/92/77/65/653927765.db2.gz MAUOJLCUCCFFEP-UHFFFAOYSA-N 1 2 393.289 2.287 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000795075002 653929011 /nfs/dbraw/zinc/92/90/11/653929011.db2.gz ZWSVTCBQPBPRQG-LLVKDONJSA-N 1 2 398.282 2.387 20 0 GEADLO COc1cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)cc(I)c1OC ZINC000897684421 653933010 /nfs/dbraw/zinc/93/30/10/653933010.db2.gz OISHTFQVMZPOJT-CABZTGNLSA-N 1 2 377.222 2.121 20 0 GEADLO COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)cc(I)c1OC ZINC000897684421 653933013 /nfs/dbraw/zinc/93/30/13/653933013.db2.gz OISHTFQVMZPOJT-CABZTGNLSA-N 1 2 377.222 2.121 20 0 GEADLO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000885459612 653933539 /nfs/dbraw/zinc/93/35/39/653933539.db2.gz LEMIFDZSASSHNP-HUYGQZFBSA-N 1 2 377.576 2.220 20 0 GEADLO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000885459612 653933545 /nfs/dbraw/zinc/93/35/45/653933545.db2.gz LEMIFDZSASSHNP-HUYGQZFBSA-N 1 2 377.576 2.220 20 0 GEADLO O=S(=O)(C1=Cc2cc(Br)ccc2OC1)N1CC(n2cc[nH+]c2)C1 ZINC000795161045 653936007 /nfs/dbraw/zinc/93/60/07/653936007.db2.gz QGEZGIIFQXLSMQ-UHFFFAOYSA-N 1 2 396.266 2.266 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1csc(COc2ccccc2)n1)N1CCCC1 ZINC000897830684 653939566 /nfs/dbraw/zinc/93/95/66/653939566.db2.gz IJRJIUBCUOYWIK-UHFFFAOYSA-N 1 2 381.523 2.237 20 0 GEADLO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000897978712 653947676 /nfs/dbraw/zinc/94/76/76/653947676.db2.gz UJGBOQZYQBWMHO-CQSZACIVSA-N 1 2 376.258 2.030 20 0 GEADLO COC(=O)c1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(Br)c1 ZINC000847858545 653949232 /nfs/dbraw/zinc/94/92/32/653949232.db2.gz UOTXRHZYFKEPAY-SNVBAGLBSA-N 1 2 380.242 2.454 20 0 GEADLO COC(=O)c1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(Br)c1 ZINC000847858545 653949235 /nfs/dbraw/zinc/94/92/35/653949235.db2.gz UOTXRHZYFKEPAY-SNVBAGLBSA-N 1 2 380.242 2.454 20 0 GEADLO COc1cc(Br)c(C[NH2+]Cc2cnc3n2CCOC3)c(OC)c1 ZINC000898270963 653960967 /nfs/dbraw/zinc/96/09/67/653960967.db2.gz PQJUDWNGTLBLEY-UHFFFAOYSA-N 1 2 382.258 2.483 20 0 GEADLO CC1(C)SC(=O)N(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)C1=O ZINC000795659278 653962406 /nfs/dbraw/zinc/96/24/06/653962406.db2.gz XDKTXXHIVKSQBJ-JTQLQIEISA-N 1 2 381.420 2.199 20 0 GEADLO CC1(C)SC(=O)N(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)C1=O ZINC000795659278 653962408 /nfs/dbraw/zinc/96/24/08/653962408.db2.gz XDKTXXHIVKSQBJ-JTQLQIEISA-N 1 2 381.420 2.199 20 0 GEADLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cn1c(=O)oc2cc(Br)ccc21 ZINC000795690089 653963142 /nfs/dbraw/zinc/96/31/42/653963142.db2.gz JLXMXLADHNFCAP-GXTWGEPZSA-N 1 2 396.285 2.110 20 0 GEADLO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cn1c(=O)oc2cc(Br)ccc21 ZINC000795690089 653963145 /nfs/dbraw/zinc/96/31/45/653963145.db2.gz JLXMXLADHNFCAP-GXTWGEPZSA-N 1 2 396.285 2.110 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000885948926 653964177 /nfs/dbraw/zinc/96/41/77/653964177.db2.gz JMDKWFYKHVOBGM-DOMZBBRYSA-N 1 2 376.931 2.134 20 0 GEADLO O=C(NCc1ncc(Br)cn1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000898398101 653968493 /nfs/dbraw/zinc/96/84/93/653968493.db2.gz BWGVNQFOSMXIIH-UHFFFAOYSA-N 1 2 396.314 2.328 20 0 GEADLO Cn1nc2c(c1C[NH2+][C@H](CO)c1ccccc1I)CCC2 ZINC000898511527 653974781 /nfs/dbraw/zinc/97/47/81/653974781.db2.gz DJWKRWHMNRIPMP-OAHLLOKOSA-N 1 2 397.260 2.337 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000898664358 653979592 /nfs/dbraw/zinc/97/95/92/653979592.db2.gz DKTPDKJCHAMPJD-QWRGUYRKSA-N 1 2 379.448 2.324 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000898664358 653979594 /nfs/dbraw/zinc/97/95/94/653979594.db2.gz DKTPDKJCHAMPJD-QWRGUYRKSA-N 1 2 379.448 2.324 20 0 GEADLO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848513342 653985678 /nfs/dbraw/zinc/98/56/78/653985678.db2.gz KISYKEYYBVXJIV-LBPRGKRZSA-N 1 2 394.324 2.264 20 0 GEADLO CC[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000886470207 653988418 /nfs/dbraw/zinc/98/84/18/653988418.db2.gz DIFMNYZCUCAFGS-JTQLQIEISA-N 1 2 382.711 2.212 20 0 GEADLO CC[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000886470207 653988423 /nfs/dbraw/zinc/98/84/23/653988423.db2.gz DIFMNYZCUCAFGS-JTQLQIEISA-N 1 2 382.711 2.212 20 0 GEADLO CC(C)Oc1cc(Br)cc(C(=O)N[C@H](CO)c2c[nH+]cn2C)c1 ZINC000898885517 653990608 /nfs/dbraw/zinc/99/06/08/653990608.db2.gz AARVFEXYQFJIDK-CQSZACIVSA-N 1 2 382.258 2.433 20 0 GEADLO COc1ccc(Br)c2[nH]c(C(=O)N[C@@H](CO)c3c[nH+]cn3C)cc21 ZINC000898884080 653990681 /nfs/dbraw/zinc/99/06/81/653990681.db2.gz OEVZQMPNSXLYKN-LBPRGKRZSA-N 1 2 393.241 2.136 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)Cc3ccc(Br)cc3F)CC2)CC1 ZINC000827429594 653991314 /nfs/dbraw/zinc/99/13/14/653991314.db2.gz GGWRPABAEVAWNU-UHFFFAOYSA-N 1 2 398.320 2.369 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)[C@H](O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000827435690 653991576 /nfs/dbraw/zinc/99/15/76/653991576.db2.gz SMTORDLHMLTSDO-QGZVFWFLSA-N 1 2 386.323 2.265 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)Cc3cc(F)ccc3Br)CC2)CC1 ZINC000827449559 653992525 /nfs/dbraw/zinc/99/25/25/653992525.db2.gz FHQPJIOVMXNFLQ-UHFFFAOYSA-N 1 2 398.320 2.369 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)Cc3ccccc3Br)CC2)CC1 ZINC000827456630 653992905 /nfs/dbraw/zinc/99/29/05/653992905.db2.gz MDNOCKBGIUSXIH-UHFFFAOYSA-N 1 2 380.330 2.230 20 0 GEADLO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)nn1 ZINC000886703047 653995334 /nfs/dbraw/zinc/99/53/34/653995334.db2.gz KPMIOLIZKZCTLM-GFCCVEGCSA-N 1 2 393.289 2.306 20 0 GEADLO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)nn1 ZINC000886703047 653995336 /nfs/dbraw/zinc/99/53/36/653995336.db2.gz KPMIOLIZKZCTLM-GFCCVEGCSA-N 1 2 393.289 2.306 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cc2cc(Br)ccc2o1 ZINC000899055017 653997065 /nfs/dbraw/zinc/99/70/65/653997065.db2.gz DVJWAPGCBASCPP-UHFFFAOYSA-N 1 2 395.253 2.374 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cc2cc(Br)ccc2o1 ZINC000899055017 653997069 /nfs/dbraw/zinc/99/70/69/653997069.db2.gz DVJWAPGCBASCPP-UHFFFAOYSA-N 1 2 395.253 2.374 20 0 GEADLO Cc1cc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c(C)cc1Br ZINC000899060527 653997993 /nfs/dbraw/zinc/99/79/93/653997993.db2.gz QZLCRNYMJCKIKF-UHFFFAOYSA-N 1 2 383.286 2.245 20 0 GEADLO Cc1cc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c(C)cc1Br ZINC000899060527 653997995 /nfs/dbraw/zinc/99/79/95/653997995.db2.gz QZLCRNYMJCKIKF-UHFFFAOYSA-N 1 2 383.286 2.245 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1oc2ccccc2c1Br ZINC000899064798 653998226 /nfs/dbraw/zinc/99/82/26/653998226.db2.gz GODMBHXMKURVTG-UHFFFAOYSA-N 1 2 395.253 2.374 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1oc2ccccc2c1Br ZINC000899064798 653998229 /nfs/dbraw/zinc/99/82/29/653998229.db2.gz GODMBHXMKURVTG-UHFFFAOYSA-N 1 2 395.253 2.374 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000867875368 654002156 /nfs/dbraw/zinc/00/21/56/654002156.db2.gz FOSANWOKFATVNK-ASKPUQFJSA-N 1 2 394.313 2.032 20 0 GEADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(Cc3nnsc3Cl)C2)CC1 ZINC000796621302 654002638 /nfs/dbraw/zinc/00/26/38/654002638.db2.gz PSPMVKGLYXETDH-GFCCVEGCSA-N 1 2 387.937 2.319 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Cc1sc(CC(F)(F)F)nc1C ZINC000899202005 654003998 /nfs/dbraw/zinc/00/39/98/654003998.db2.gz SXXFFPXDHSQNAI-LBPRGKRZSA-N 1 2 379.448 2.326 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Cc1sc(CC(F)(F)F)nc1C ZINC000899202005 654004001 /nfs/dbraw/zinc/00/40/01/654004001.db2.gz SXXFFPXDHSQNAI-LBPRGKRZSA-N 1 2 379.448 2.326 20 0 GEADLO O=C(NC1(c2ncc(Br)cn2)CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000886839152 654004306 /nfs/dbraw/zinc/00/43/06/654004306.db2.gz VWLXNNOYUGEQAS-LLVKDONJSA-N 1 2 376.258 2.194 20 0 GEADLO COC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000886848567 654005540 /nfs/dbraw/zinc/00/55/40/654005540.db2.gz HVOXIMOOJFDJBE-GXTWGEPZSA-N 1 2 382.258 2.133 20 0 GEADLO COC(=O)N[C@H]1CC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000886848567 654005543 /nfs/dbraw/zinc/00/55/43/654005543.db2.gz HVOXIMOOJFDJBE-GXTWGEPZSA-N 1 2 382.258 2.133 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1ccc(Br)cn1 ZINC000868036455 654015512 /nfs/dbraw/zinc/01/55/12/654015512.db2.gz ZFLUJCSMMHYBRN-UHFFFAOYSA-N 1 2 378.274 2.419 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)c1csc(I)n1 ZINC000828149398 654026265 /nfs/dbraw/zinc/02/62/65/654026265.db2.gz INRHIRSBBDYAGJ-UHFFFAOYSA-N 1 2 388.234 2.375 20 0 GEADLO CC(C)n1ncc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1Br ZINC000868274734 654026833 /nfs/dbraw/zinc/02/68/33/654026833.db2.gz HSLNLLIGDIZKMX-QWHCGFSZSA-N 1 2 385.306 2.162 20 0 GEADLO COC1CC[NH+](Cc2cn(-c3ccccc3I)nn2)CC1 ZINC000899745889 654031304 /nfs/dbraw/zinc/03/13/04/654031304.db2.gz SADPLAAYYGTGLT-UHFFFAOYSA-N 1 2 398.248 2.483 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N2CCC(C)=C(Br)C2)c(N(C)C)[nH+]1 ZINC000797544349 654035773 /nfs/dbraw/zinc/03/57/73/654035773.db2.gz GSLLCIHJEGGMTC-UHFFFAOYSA-N 1 2 381.274 2.296 20 0 GEADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cn(C)nc3Br)CC2)c1 ZINC000887722322 654046585 /nfs/dbraw/zinc/04/65/85/654046585.db2.gz VZLNMWUWENAQIV-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000828734566 654048645 /nfs/dbraw/zinc/04/86/45/654048645.db2.gz DPBZMYCFJIMCSO-CYINZCGDSA-N 1 2 377.282 2.092 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000900209138 654053416 /nfs/dbraw/zinc/05/34/16/654053416.db2.gz PSZNDNYSSRKIAV-GFCCVEGCSA-N 1 2 380.286 2.310 20 0 GEADLO NC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000798423500 654062410 /nfs/dbraw/zinc/06/24/10/654062410.db2.gz GPSXVKISGVJCRU-UHFFFAOYSA-N 1 2 377.809 2.392 20 0 GEADLO COc1ccc(Br)cc1CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900442203 654063921 /nfs/dbraw/zinc/06/39/21/654063921.db2.gz OMESFQVQJNZNED-LCYFTJDESA-N 1 2 383.286 2.352 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@]1(C)CC1(Br)Br ZINC000849969346 654064165 /nfs/dbraw/zinc/06/41/65/654064165.db2.gz ZLNBZSCDFQJRGN-ONGXEEELSA-N 1 2 385.096 2.146 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCn2ncc(Br)c2C1 ZINC000869108499 654069603 /nfs/dbraw/zinc/06/96/03/654069603.db2.gz OSRXBLDWLYNWON-OAHLLOKOSA-N 1 2 390.285 2.358 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCn2ncc(Br)c2C1 ZINC000869108499 654069604 /nfs/dbraw/zinc/06/96/04/654069604.db2.gz OSRXBLDWLYNWON-OAHLLOKOSA-N 1 2 390.285 2.358 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1c(F)cncc1Br)CC(F)(F)F ZINC000850365898 654073427 /nfs/dbraw/zinc/07/34/27/654073427.db2.gz SPJUPUYTYAXEHY-UHFFFAOYSA-N 1 2 379.173 2.050 20 0 GEADLO COc1ccccc1[C@H](CNS(=O)(=O)c1c[nH]nc1Cl)[NH+]1CCCC1 ZINC000829724673 654077911 /nfs/dbraw/zinc/07/79/11/654077911.db2.gz TWCQJZRSMMREGK-ZDUSSCGKSA-N 1 2 384.889 2.187 20 0 GEADLO Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)s1 ZINC000900800160 654081069 /nfs/dbraw/zinc/08/10/69/654081069.db2.gz BMELSXAEGRCYNL-OCCSQVGLSA-N 1 2 378.567 2.473 20 0 GEADLO Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)s1 ZINC000900800160 654081074 /nfs/dbraw/zinc/08/10/74/654081074.db2.gz BMELSXAEGRCYNL-OCCSQVGLSA-N 1 2 378.567 2.473 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)Cc2cccc(Cl)c2Br)c1 ZINC000916231465 654088159 /nfs/dbraw/zinc/08/81/59/654088159.db2.gz SECJJTNNHNRIDT-UHFFFAOYSA-N 1 2 392.706 2.498 20 0 GEADLO CN(Cc1ncc(Br)cn1)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000916341332 654092368 /nfs/dbraw/zinc/09/23/68/654092368.db2.gz GLLWPYAKJUOEKN-UHFFFAOYSA-N 1 2 379.262 2.114 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)CC3(O)CCC3)cc2Br)CC1 ZINC000830139100 654100840 /nfs/dbraw/zinc/10/08/40/654100840.db2.gz QDNIWJZGNXJZHP-UHFFFAOYSA-N 1 2 382.302 2.445 20 0 GEADLO C[C@H](c1ncc(Br)cn1)[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830461692 654119362 /nfs/dbraw/zinc/11/93/62/654119362.db2.gz DHJIIWVPFVPXQK-PWSUYJOCSA-N 1 2 389.294 2.118 20 0 GEADLO C[C@H](c1ncc(Br)cn1)[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830461692 654119369 /nfs/dbraw/zinc/11/93/69/654119369.db2.gz DHJIIWVPFVPXQK-PWSUYJOCSA-N 1 2 389.294 2.118 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000830493400 654121256 /nfs/dbraw/zinc/12/12/56/654121256.db2.gz XRGLNJARZAULPT-UHFFFAOYSA-N 1 2 375.372 2.339 20 0 GEADLO CC(=O)N[C@H](C(=O)OCCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000869976200 654133957 /nfs/dbraw/zinc/13/39/57/654133957.db2.gz DYOHZXXISBUSFF-HNNXBMFYSA-N 1 2 380.242 2.146 20 0 GEADLO CN(C)c1ccc([NH+]2CCC(NS(=O)(=O)c3c[nH]nc3Cl)CC2)cc1 ZINC000830703914 654137134 /nfs/dbraw/zinc/13/71/34/654137134.db2.gz JXCRCYYAVGXOGN-UHFFFAOYSA-N 1 2 383.905 2.076 20 0 GEADLO Cc1cc(Br)cc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)c1C ZINC000870058074 654141444 /nfs/dbraw/zinc/14/14/44/654141444.db2.gz IEKLYSAUOOQTFB-INIZCTEOSA-N 1 2 397.313 2.239 20 0 GEADLO C/C(=C\c1ccc(Br)o1)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870056441 654141551 /nfs/dbraw/zinc/14/15/51/654141551.db2.gz IXVQOGFDFIXHPQ-NRMKIYEFSA-N 1 2 399.285 2.005 20 0 GEADLO O=C(CCSc1cccc(Cl)c1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870060357 654142010 /nfs/dbraw/zinc/14/20/10/654142010.db2.gz AXXMWLSNHTZBAB-MRXNPFEDSA-N 1 2 384.929 2.382 20 0 GEADLO CC(=O)N[C@@H](C(=O)O[C@H]1CC[N@H+](CCF)C1)c1cccc(Br)c1 ZINC000870329316 654163640 /nfs/dbraw/zinc/16/36/40/654163640.db2.gz IJHFBCROOPXHIT-LSDHHAIUSA-N 1 2 387.249 2.213 20 0 GEADLO CC(=O)N[C@@H](C(=O)O[C@H]1CC[N@@H+](CCF)C1)c1cccc(Br)c1 ZINC000870329316 654163644 /nfs/dbraw/zinc/16/36/44/654163644.db2.gz IJHFBCROOPXHIT-LSDHHAIUSA-N 1 2 387.249 2.213 20 0 GEADLO C[NH+](C)[C@@H](C(=O)N1CC(CNC(=O)C(F)(F)F)C1)c1cccc(Cl)c1 ZINC000831145253 654166960 /nfs/dbraw/zinc/16/69/60/654166960.db2.gz SRISKELSMCNQQP-CYBMUJFWSA-N 1 2 377.794 2.080 20 0 GEADLO O=S(=O)(NCC[N@H+]1CC=CCC1)c1cnc(Cl)c(Br)c1 ZINC000831338729 654179717 /nfs/dbraw/zinc/17/97/17/654179717.db2.gz LFZLCIIJHYCQEW-UHFFFAOYSA-N 1 2 380.695 2.038 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CC=CCC1)c1cnc(Cl)c(Br)c1 ZINC000831338729 654179719 /nfs/dbraw/zinc/17/97/19/654179719.db2.gz LFZLCIIJHYCQEW-UHFFFAOYSA-N 1 2 380.695 2.038 20 0 GEADLO O=C1c2cc(Br)ccc2CN1C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000902508321 654180341 /nfs/dbraw/zinc/18/03/41/654180341.db2.gz BUOGQOCFRZGNBU-UHFFFAOYSA-N 1 2 394.269 2.327 20 0 GEADLO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000919831054 654193852 /nfs/dbraw/zinc/19/38/52/654193852.db2.gz OEDSLXBNMWPWRA-WDEREUQCSA-N 1 2 380.388 2.148 20 0 GEADLO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000919831054 654193855 /nfs/dbraw/zinc/19/38/55/654193855.db2.gz OEDSLXBNMWPWRA-WDEREUQCSA-N 1 2 380.388 2.148 20 0 GEADLO O=C(c1cc(Cl)nc(Cl)c1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000831630939 654195071 /nfs/dbraw/zinc/19/50/71/654195071.db2.gz YQGVJWRRDRSRNP-UHFFFAOYSA-N 1 2 381.267 2.103 20 0 GEADLO COc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cnc1Cl ZINC000851869934 654195447 /nfs/dbraw/zinc/19/54/47/654195447.db2.gz WAHHMUXDRYFANW-AWEZNQCLSA-N 1 2 381.885 2.296 20 0 GEADLO COc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cnc1Cl ZINC000851869934 654195452 /nfs/dbraw/zinc/19/54/52/654195452.db2.gz WAHHMUXDRYFANW-AWEZNQCLSA-N 1 2 381.885 2.296 20 0 GEADLO C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000919989735 654198571 /nfs/dbraw/zinc/19/85/71/654198571.db2.gz LBLGMRZKTKCFJT-NOZJJQNGSA-N 1 2 384.304 2.045 20 0 GEADLO C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000919989735 654198573 /nfs/dbraw/zinc/19/85/73/654198573.db2.gz LBLGMRZKTKCFJT-NOZJJQNGSA-N 1 2 384.304 2.045 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)OCc1ccc(Br)cc1 ZINC000920090166 654203327 /nfs/dbraw/zinc/20/33/27/654203327.db2.gz UYNPNIXGFBHDMD-UHFFFAOYSA-N 1 2 385.258 2.124 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)OCc1ccc(Br)cc1 ZINC000920090166 654203334 /nfs/dbraw/zinc/20/33/34/654203334.db2.gz UYNPNIXGFBHDMD-UHFFFAOYSA-N 1 2 385.258 2.124 20 0 GEADLO O=C(Cc1[nH]cc[nH+]1)Nc1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000870887793 654204075 /nfs/dbraw/zinc/20/40/75/654204075.db2.gz GGWBNAIIVBHLJV-LLVKDONJSA-N 1 2 379.258 2.172 20 0 GEADLO CCCn1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)nn1 ZINC000902983428 654207047 /nfs/dbraw/zinc/20/70/47/654207047.db2.gz ZKQVIAKQYJFZCH-LLVKDONJSA-N 1 2 389.884 2.110 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2cccc(SC)c2)CC1 ZINC000903005126 654208772 /nfs/dbraw/zinc/20/87/72/654208772.db2.gz RVGJJKFFHMIYGD-CYBMUJFWSA-N 1 2 385.555 2.139 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](Nc2ncccn2)C1)Nc1ccc(Br)cc1 ZINC000903027457 654210785 /nfs/dbraw/zinc/21/07/85/654210785.db2.gz SEBSHGSSSHTVQM-AWEZNQCLSA-N 1 2 376.258 2.364 20 0 GEADLO O=C(C[N@H+]1CC[C@H](Nc2ncccn2)C1)Nc1ccc(Br)cc1 ZINC000903027457 654210786 /nfs/dbraw/zinc/21/07/86/654210786.db2.gz SEBSHGSSSHTVQM-AWEZNQCLSA-N 1 2 376.258 2.364 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000870944045 654212097 /nfs/dbraw/zinc/21/20/97/654212097.db2.gz ATCMDUZYXZNTQZ-IIDMSEBBSA-N 1 2 392.297 2.396 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000903087709 654215699 /nfs/dbraw/zinc/21/56/99/654215699.db2.gz HEJYTCROTOCGPY-UHFFFAOYSA-N 1 2 377.532 2.100 20 0 GEADLO Brc1ccc(-c2nnc(C[NH2+][C@@H]3CCO[C@]34CCOC4)[nH]2)cc1 ZINC000903125883 654218717 /nfs/dbraw/zinc/21/87/17/654218717.db2.gz PDHYRDAMCJEXKS-CJNGLKHVSA-N 1 2 379.258 2.272 20 0 GEADLO Brc1ccc(-c2n[nH]c(C[NH2+][C@@H]3CCO[C@]34CCOC4)n2)cc1 ZINC000903125883 654218723 /nfs/dbraw/zinc/21/87/23/654218723.db2.gz PDHYRDAMCJEXKS-CJNGLKHVSA-N 1 2 379.258 2.272 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1F)C[C@H](O)CO ZINC000852179628 654223509 /nfs/dbraw/zinc/22/35/09/654223509.db2.gz KVPGKMPXXZEFHQ-AWEZNQCLSA-N 1 2 376.856 2.159 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccc(Cl)cc1F)C[C@H](O)CO ZINC000852179628 654223518 /nfs/dbraw/zinc/22/35/18/654223518.db2.gz KVPGKMPXXZEFHQ-AWEZNQCLSA-N 1 2 376.856 2.159 20 0 GEADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000802241844 654223640 /nfs/dbraw/zinc/22/36/40/654223640.db2.gz BQJUNYQCGCGNDS-OLZOCXBDSA-N 1 2 399.260 2.389 20 0 GEADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000802241844 654223644 /nfs/dbraw/zinc/22/36/44/654223644.db2.gz BQJUNYQCGCGNDS-OLZOCXBDSA-N 1 2 399.260 2.389 20 0 GEADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000802239526 654223981 /nfs/dbraw/zinc/22/39/81/654223981.db2.gz LVWWDFDVPUDEOH-DOMZBBRYSA-N 1 2 399.260 2.389 20 0 GEADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000802239526 654223985 /nfs/dbraw/zinc/22/39/85/654223985.db2.gz LVWWDFDVPUDEOH-DOMZBBRYSA-N 1 2 399.260 2.389 20 0 GEADLO CO[C@@H](CS(=O)(=O)NCc1nc(C[NH+](C)C)cs1)C1CCCCC1 ZINC000921084132 654235368 /nfs/dbraw/zinc/23/53/68/654235368.db2.gz UHKBSUSJPRZRIC-HNNXBMFYSA-N 1 2 375.560 2.219 20 0 GEADLO CC(=O)NCC1CC[NH+](CN2Cc3ccc(Br)cc3C2=O)CC1 ZINC000802725841 654236985 /nfs/dbraw/zinc/23/69/85/654236985.db2.gz AQCOJCSFECKPFB-UHFFFAOYSA-N 1 2 380.286 2.211 20 0 GEADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)s1 ZINC000903424546 654238402 /nfs/dbraw/zinc/23/84/02/654238402.db2.gz YAZDPTINCOHTMO-LLVKDONJSA-N 1 2 383.495 2.176 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)CN1Cc2ccc(Br)cc2C1=O ZINC000802741133 654239901 /nfs/dbraw/zinc/23/99/01/654239901.db2.gz VBINWHOPKACDKU-ZDUSSCGKSA-N 1 2 382.302 2.015 20 0 GEADLO C[C@@H](CN1CCOCC1)[N@H+](C)CN1Cc2ccc(Br)cc2C1=O ZINC000802741133 654239909 /nfs/dbraw/zinc/23/99/09/654239909.db2.gz VBINWHOPKACDKU-ZDUSSCGKSA-N 1 2 382.302 2.015 20 0 GEADLO C[C@@H](CN1CCOCC1)[N@@H+](C)CN1Cc2ccc(Br)cc2C1=O ZINC000802741133 654239913 /nfs/dbraw/zinc/23/99/13/654239913.db2.gz VBINWHOPKACDKU-ZDUSSCGKSA-N 1 2 382.302 2.015 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921322504 654247550 /nfs/dbraw/zinc/24/75/50/654247550.db2.gz TZVYCDGZUZJVHT-OLZOCXBDSA-N 1 2 376.931 2.207 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921322504 654247554 /nfs/dbraw/zinc/24/75/54/654247554.db2.gz TZVYCDGZUZJVHT-OLZOCXBDSA-N 1 2 376.931 2.207 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCC(n2nncc2I)CC1 ZINC000852533409 654247557 /nfs/dbraw/zinc/24/75/57/654247557.db2.gz YPULGPJOFWTPCM-UHFFFAOYSA-N 1 2 387.225 2.325 20 0 GEADLO O=S(=O)(CC1(F)CC1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921330670 654249428 /nfs/dbraw/zinc/24/94/28/654249428.db2.gz NVJLQAIXZDVPBR-ZIAGYGMSSA-N 1 2 380.407 2.471 20 0 GEADLO O=S(=O)(CC1(F)CC1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921330670 654249434 /nfs/dbraw/zinc/24/94/34/654249434.db2.gz NVJLQAIXZDVPBR-ZIAGYGMSSA-N 1 2 380.407 2.471 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852652765 654252658 /nfs/dbraw/zinc/25/26/58/654252658.db2.gz DSEDJFIOGNZDIN-WFASDCNBSA-N 1 2 388.281 2.309 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852652765 654252665 /nfs/dbraw/zinc/25/26/65/654252665.db2.gz DSEDJFIOGNZDIN-WFASDCNBSA-N 1 2 388.281 2.309 20 0 GEADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC2(n3cc(Br)cn3)CC2)[nH]n1 ZINC000832256245 654254525 /nfs/dbraw/zinc/25/45/25/654254525.db2.gz CBHDNBNNVPINEO-CQSZACIVSA-N 1 2 393.289 2.055 20 0 GEADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC2(n3cc(Br)cn3)CC2)[nH]n1 ZINC000832256245 654254530 /nfs/dbraw/zinc/25/45/30/654254530.db2.gz CBHDNBNNVPINEO-CQSZACIVSA-N 1 2 393.289 2.055 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)NCC1(n2cc(Br)cn2)CC1 ZINC000832256671 654254791 /nfs/dbraw/zinc/25/47/91/654254791.db2.gz QBGVUWXEKAWAAK-UHFFFAOYSA-N 1 2 378.274 2.026 20 0 GEADLO C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@H](CC(F)(F)F)O1 ZINC000852740897 654258475 /nfs/dbraw/zinc/25/84/75/654258475.db2.gz FKDBYGDSBAAUOB-UWVGGRQHSA-N 1 2 379.404 2.217 20 0 GEADLO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C(N)=O)C[C@H](CC(F)(F)F)O1 ZINC000852740897 654258479 /nfs/dbraw/zinc/25/84/79/654258479.db2.gz FKDBYGDSBAAUOB-UWVGGRQHSA-N 1 2 379.404 2.217 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000852855281 654263939 /nfs/dbraw/zinc/26/39/39/654263939.db2.gz YFUBVBUSPRDUJK-OAHLLOKOSA-N 1 2 391.269 2.032 20 0 GEADLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)CC1 ZINC000832523356 654271668 /nfs/dbraw/zinc/27/16/68/654271668.db2.gz GHVNWLFHFOLLBL-NSHDSACASA-N 1 2 392.880 2.371 20 0 GEADLO O=S(=O)(c1ccc(C[NH2+]Cc2nc(Br)c[nH]2)cc1)N1CCCC1 ZINC000921544007 654279527 /nfs/dbraw/zinc/27/95/27/654279527.db2.gz OLUFIVDFLWPICS-UHFFFAOYSA-N 1 2 399.314 2.247 20 0 GEADLO C[N@@H+](CC(=O)NCc1ccccn1)C[C@H](O)c1ccccc1Br ZINC000832680809 654287249 /nfs/dbraw/zinc/28/72/49/654287249.db2.gz WYJWWANHWDEYIU-INIZCTEOSA-N 1 2 378.270 2.126 20 0 GEADLO C[N@H+](CC(=O)NCc1ccccn1)C[C@H](O)c1ccccc1Br ZINC000832680809 654287254 /nfs/dbraw/zinc/28/72/54/654287254.db2.gz WYJWWANHWDEYIU-INIZCTEOSA-N 1 2 378.270 2.126 20 0 GEADLO O=C(Oc1cc(F)ccc1Br)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000903999605 654295551 /nfs/dbraw/zinc/29/55/51/654295551.db2.gz GJJMUXLLDDQIJK-OCCSQVGLSA-N 1 2 388.233 2.373 20 0 GEADLO O=C([C@H](Cc1ccccc1)[NH2+]Cc1nc(Br)c[nH]1)N1CCCC1 ZINC000921631175 654296037 /nfs/dbraw/zinc/29/60/37/654296037.db2.gz JJOTWFNZFPVJMO-AWEZNQCLSA-N 1 2 377.286 2.496 20 0 GEADLO O=C(C[C@@H]1COC(=O)C1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804269709 654304345 /nfs/dbraw/zinc/30/43/45/654304345.db2.gz AHTIDYPCRDTGQN-LBPRGKRZSA-N 1 2 396.241 2.221 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000853561146 654304559 /nfs/dbraw/zinc/30/45/59/654304559.db2.gz ZVLAJNWWHSMOEN-SKDRFNHKSA-N 1 2 398.232 2.054 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000853561146 654304561 /nfs/dbraw/zinc/30/45/61/654304561.db2.gz ZVLAJNWWHSMOEN-SKDRFNHKSA-N 1 2 398.232 2.054 20 0 GEADLO Brc1ccccc1-n1cc(C[NH2+]Cc2cnc3n2CCOC3)nn1 ZINC000921693729 654305800 /nfs/dbraw/zinc/30/58/00/654305800.db2.gz JIFTVXSYIXXXIW-UHFFFAOYSA-N 1 2 389.257 2.046 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)Nc1ncnc2c1c(Br)nn2C(C)(C)C ZINC000891837196 654313894 /nfs/dbraw/zinc/31/38/94/654313894.db2.gz CYGYETUVFJJDRZ-LLVKDONJSA-N 1 2 397.321 2.476 20 0 GEADLO COC[C@@]1(c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)CCCC[NH2+]1 ZINC000872177869 654315521 /nfs/dbraw/zinc/31/55/21/654315521.db2.gz HZCOHHODDJGCIO-MRXNPFEDSA-N 1 2 385.873 2.312 20 0 GEADLO Cc1cc(-c2csc(S(N)(=O)=O)c2)ccc1OCC[NH+]1CCOCC1 ZINC000904751553 654319521 /nfs/dbraw/zinc/31/95/21/654319521.db2.gz FTSVDPKBQJBMQC-UHFFFAOYSA-N 1 2 382.507 2.082 20 0 GEADLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)N=[S@](C)(=O)c2ccccc2)C1 ZINC000872344194 654324660 /nfs/dbraw/zinc/32/46/60/654324660.db2.gz CMDFFKCUFVKWIC-XMMPIXPASA-N 1 2 379.507 2.488 20 0 GEADLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)N=[S@](C)(=O)c2ccccc2)C1 ZINC000872344194 654324665 /nfs/dbraw/zinc/32/46/65/654324665.db2.gz CMDFFKCUFVKWIC-XMMPIXPASA-N 1 2 379.507 2.488 20 0 GEADLO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1nc(Br)cs1 ZINC000834673359 654341941 /nfs/dbraw/zinc/34/19/41/654341941.db2.gz QEACKBKJPBNLEW-ZJUUUORDSA-N 1 2 384.303 2.485 20 0 GEADLO CCn1c(C[NH2+][C@H]2C(=O)NCC[C@H]2C)nc(Br)c1Br ZINC000922101757 654367439 /nfs/dbraw/zinc/36/74/39/654367439.db2.gz XSGRWXVUYCFTKI-VXNVDRBHSA-N 1 2 394.111 2.042 20 0 GEADLO O=C(C[C@H](O)C(Cl)(Cl)Cl)NCc1ccccc1C[NH+]1CCOCC1 ZINC000905313733 654349859 /nfs/dbraw/zinc/34/98/59/654349859.db2.gz NJAQAVVPNYJEIW-AWEZNQCLSA-N 1 2 395.714 2.256 20 0 GEADLO Cc1cncc(Br)c1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000892700210 654360029 /nfs/dbraw/zinc/36/00/29/654360029.db2.gz GDSOSUQOYDWLGI-MRXNPFEDSA-N 1 2 390.281 2.414 20 0 GEADLO Cc1cncc(Br)c1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000892700210 654360033 /nfs/dbraw/zinc/36/00/33/654360033.db2.gz GDSOSUQOYDWLGI-MRXNPFEDSA-N 1 2 390.281 2.414 20 0 GEADLO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000835162656 654367204 /nfs/dbraw/zinc/36/72/04/654367204.db2.gz GJMWEXPWSJRLNL-UHFFFAOYSA-N 1 2 392.257 2.151 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000892870340 654367825 /nfs/dbraw/zinc/36/78/25/654367825.db2.gz DHESYAJKHLCYAQ-GFCCVEGCSA-N 1 2 377.432 2.032 20 0 GEADLO CCOC(=O)c1ncc(Br)c(N[C@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC000892994568 654374799 /nfs/dbraw/zinc/37/47/99/654374799.db2.gz MQJFILMKKOXKOO-AWEZNQCLSA-N 1 2 391.269 2.436 20 0 GEADLO CCOC(=O)c1ncc(Br)c(N[C@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC000892994568 654374803 /nfs/dbraw/zinc/37/48/03/654374803.db2.gz MQJFILMKKOXKOO-AWEZNQCLSA-N 1 2 391.269 2.436 20 0 GEADLO O=C(NCc1cc(Br)no1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000854706034 654376130 /nfs/dbraw/zinc/37/61/30/654376130.db2.gz ZGNDNGRWXIZTHJ-INIZCTEOSA-N 1 2 394.269 2.251 20 0 GEADLO COC[C@H](O)CCNc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC000893051561 654378197 /nfs/dbraw/zinc/37/81/97/654378197.db2.gz VDZWAMSPAQJPFF-CYBMUJFWSA-N 1 2 392.257 2.387 20 0 GEADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNCc3nc(Br)c[nH]3)C2)cc1 ZINC000922318218 654383224 /nfs/dbraw/zinc/38/32/24/654383224.db2.gz VAPQAQGMHKOUBB-HNNXBMFYSA-N 1 2 379.302 2.471 20 0 GEADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNCc3nc(Br)c[nH]3)C2)cc1 ZINC000922318218 654383227 /nfs/dbraw/zinc/38/32/27/654383227.db2.gz VAPQAQGMHKOUBB-HNNXBMFYSA-N 1 2 379.302 2.471 20 0 GEADLO CC[C@](O)(C[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1)C(F)(F)F ZINC000905927200 654391460 /nfs/dbraw/zinc/39/14/60/654391460.db2.gz ZGVSTNKNTUREQS-HNNXBMFYSA-N 1 2 380.432 2.086 20 0 GEADLO CC[C@](O)(C[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1)C(F)(F)F ZINC000905927200 654391465 /nfs/dbraw/zinc/39/14/65/654391465.db2.gz ZGVSTNKNTUREQS-HNNXBMFYSA-N 1 2 380.432 2.086 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCc2ncc(Cl)s2)c1C ZINC000872848831 654400331 /nfs/dbraw/zinc/40/03/31/654400331.db2.gz JBFORJHEAVFENH-UHFFFAOYSA-N 1 2 382.873 2.092 20 0 GEADLO O=[S@@](CCS(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1)C(F)(F)F ZINC000906024435 654404364 /nfs/dbraw/zinc/40/43/64/654404364.db2.gz MKXMXLNCZSOWHR-QHCPKHFHSA-N 1 2 380.413 2.115 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)c(CC)c2)CC1 ZINC000906082545 654415564 /nfs/dbraw/zinc/41/55/64/654415564.db2.gz XMFJIMXFARJGHS-UHFFFAOYSA-N 1 2 396.329 2.296 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)c(CC)c2)CC1 ZINC000906082545 654415560 /nfs/dbraw/zinc/41/55/60/654415560.db2.gz XMFJIMXFARJGHS-UHFFFAOYSA-N 1 2 396.329 2.296 20 0 GEADLO COCCNC(=O)C1([NH2+]Cc2c(Br)c3ccccc3n2C)CC1 ZINC000873131018 654417567 /nfs/dbraw/zinc/41/75/67/654417567.db2.gz OMGACKGKMWXXRE-UHFFFAOYSA-N 1 2 380.286 2.326 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cn(C(C)(C)C)nc1Br ZINC000855412056 654417737 /nfs/dbraw/zinc/41/77/37/654417737.db2.gz RUNXCPJTSYJULR-NEPJUHHUSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cn(C(C)(C)C)nc1Br ZINC000855412056 654417741 /nfs/dbraw/zinc/41/77/41/654417741.db2.gz RUNXCPJTSYJULR-NEPJUHHUSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]([NH2+]Cc1cn(Cc2ncon2)nn1)c1ccc(F)c(Br)c1 ZINC000906286673 654425179 /nfs/dbraw/zinc/42/51/79/654425179.db2.gz DSSYFBDFSOGVHQ-SECBINFHSA-N 1 2 381.209 2.462 20 0 GEADLO Cc1c(C(=O)N2CC[NH+](C3CC3)CC2)nnn1-c1ccccc1Br ZINC000906432335 654436509 /nfs/dbraw/zinc/43/65/09/654436509.db2.gz JQFCTKPKVFYUMP-UHFFFAOYSA-N 1 2 390.285 2.258 20 0 GEADLO Cc1cc[nH+]c(N2CCN(Cc3cn(C)nc3I)CC2)c1 ZINC000893996174 654437365 /nfs/dbraw/zinc/43/73/65/654437365.db2.gz ZXXVITMLAHMICY-UHFFFAOYSA-N 1 2 397.264 2.050 20 0 GEADLO O=C(CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(Br)cn1 ZINC000923256498 654439771 /nfs/dbraw/zinc/43/97/71/654439771.db2.gz IBWVEMHOPITHCM-UHFFFAOYSA-N 1 2 393.241 2.041 20 0 GEADLO COc1ccc2[nH+]cc(Cl)c(NCCS(=O)(=O)C3CCOCC3)c2c1 ZINC000894072504 654444533 /nfs/dbraw/zinc/44/45/33/654444533.db2.gz XLMXKFDVVMYKHA-UHFFFAOYSA-N 1 2 384.885 2.324 20 0 GEADLO Cc1c(C(=O)OCCc2c[nH+]cn2C)nnn1-c1ccccc1Br ZINC000923409592 654451057 /nfs/dbraw/zinc/45/10/57/654451057.db2.gz SSNYFNVFOTVTRB-UHFFFAOYSA-N 1 2 390.241 2.471 20 0 GEADLO COc1ccc(C[NH2+]Cc2nc(Br)nn2C)cc1OC(F)F ZINC000894165334 654451623 /nfs/dbraw/zinc/45/16/23/654451623.db2.gz PORQDZLWXFLCDA-UHFFFAOYSA-N 1 2 377.189 2.477 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(Br)nn1C)c1ccc(N2CCOC2=O)cc1 ZINC000894205376 654455715 /nfs/dbraw/zinc/45/57/15/654455715.db2.gz XZIPERWZDJJILQ-SNVBAGLBSA-N 1 2 380.246 2.385 20 0 GEADLO O=C(NCC[NH+]1CCSCC1)C(F)(F)c1ncccc1Br ZINC000906661718 654457658 /nfs/dbraw/zinc/45/76/58/654457658.db2.gz XKTBKQSASARPCN-UHFFFAOYSA-N 1 2 380.258 2.101 20 0 GEADLO Cc1ccc(N2CCC[C@H]([NH2+]Cc3nc(Br)nn3C)C2=O)cc1 ZINC000894298897 654463238 /nfs/dbraw/zinc/46/32/38/654463238.db2.gz NDJCIJFWXNBOCO-ZDUSSCGKSA-N 1 2 378.274 2.171 20 0 GEADLO Cn1cc(C[NH2+]Cc2cccc3c2OCCCO3)c(I)n1 ZINC000894345720 654467073 /nfs/dbraw/zinc/46/70/73/654467073.db2.gz LRIGTEKABYGBNF-UHFFFAOYSA-N 1 2 399.232 2.476 20 0 GEADLO Cn1ncc(Br)c1CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000923609727 654471634 /nfs/dbraw/zinc/47/16/34/654471634.db2.gz GTGIRRYBBJKJQY-UHFFFAOYSA-N 1 2 393.289 2.364 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000894571913 654487570 /nfs/dbraw/zinc/48/75/70/654487570.db2.gz AEGQRGWVQDDRNM-CHWSQXEVSA-N 1 2 384.489 2.434 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000894571913 654487572 /nfs/dbraw/zinc/48/75/72/654487572.db2.gz AEGQRGWVQDDRNM-CHWSQXEVSA-N 1 2 384.489 2.434 20 0 GEADLO Cc1cc(C)c(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C)[nH+]1 ZINC000906951579 654492105 /nfs/dbraw/zinc/49/21/05/654492105.db2.gz BDCCYPLBNBUHKO-UHFFFAOYSA-N 1 2 379.404 2.051 20 0 GEADLO Cc1cc(C[NH+]2CCC(n3nncc3I)CC2)ccn1 ZINC000856761095 654492719 /nfs/dbraw/zinc/49/27/19/654492719.db2.gz OXRSKASNAHAQGM-UHFFFAOYSA-N 1 2 383.237 2.423 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NCCOC(F)(F)C(F)(F)F)n1 ZINC000923972762 654494797 /nfs/dbraw/zinc/49/47/97/654494797.db2.gz GGPLUYUXTDEAQE-UHFFFAOYSA-N 1 2 376.351 2.176 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(Br)nn1C)C(=O)N1c2ccccc2C[C@H]1C ZINC000894917002 654505253 /nfs/dbraw/zinc/50/52/53/654505253.db2.gz MLYLQEDPQIVLQG-GHMZBOCLSA-N 1 2 378.274 2.034 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC000907070361 654507036 /nfs/dbraw/zinc/50/70/36/654507036.db2.gz WUVBKOVCVTVSCF-NSHDSACASA-N 1 2 382.675 2.286 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1cc2ccc(Br)cc2c(=O)o1 ZINC000924367893 654511438 /nfs/dbraw/zinc/51/14/38/654511438.db2.gz CIIBWTOLKPWGMW-LLVKDONJSA-N 1 2 396.237 2.433 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NC[C@@H](CO)c2ccc(Cl)cc2)n1 ZINC000924780662 654524590 /nfs/dbraw/zinc/52/45/90/654524590.db2.gz LNIVBZHILWWGRD-ZDUSSCGKSA-N 1 2 382.917 2.433 20 0 GEADLO C[C@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)c1ncco1 ZINC000924917890 654529162 /nfs/dbraw/zinc/52/91/62/654529162.db2.gz BLVUMUFVXHAROW-CMPLNLGQSA-N 1 2 388.205 2.370 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)oc1Cl ZINC000907355935 654535303 /nfs/dbraw/zinc/53/53/03/654535303.db2.gz QWSSQWYASQXICE-NSHDSACASA-N 1 2 378.878 2.070 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)oc1Cl ZINC000907355935 654535307 /nfs/dbraw/zinc/53/53/07/654535307.db2.gz QWSSQWYASQXICE-NSHDSACASA-N 1 2 378.878 2.070 20 0 GEADLO CC1(C)COCC[N@@H+]1CCN1C(=O)N[C@H](c2ccccc2Br)C1=O ZINC000925295777 654540374 /nfs/dbraw/zinc/54/03/74/654540374.db2.gz SFLPWVZSSSUHIV-CQSZACIVSA-N 1 2 396.285 2.153 20 0 GEADLO CC1(C)COCC[N@H+]1CCN1C(=O)N[C@H](c2ccccc2Br)C1=O ZINC000925295777 654540378 /nfs/dbraw/zinc/54/03/78/654540378.db2.gz SFLPWVZSSSUHIV-CQSZACIVSA-N 1 2 396.285 2.153 20 0 GEADLO COc1cc(Br)cc(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000926292319 654567023 /nfs/dbraw/zinc/56/70/23/654567023.db2.gz ZQUFIUONKPWLBD-OAHLLOKOSA-N 1 2 398.301 2.074 20 0 GEADLO CCn1nc(C)c([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000926357701 654569289 /nfs/dbraw/zinc/56/92/89/654569289.db2.gz RWQBBWUKIIDBPR-JTQLQIEISA-N 1 2 389.884 2.028 20 0 GEADLO C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)c2ncnn21 ZINC000926377621 654569747 /nfs/dbraw/zinc/56/97/47/654569747.db2.gz JWTVXPNWTIWZFQ-JOYOIKCWSA-N 1 2 397.220 2.117 20 0 GEADLO CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC[N@H+](C)CC1 ZINC000907787394 654578923 /nfs/dbraw/zinc/57/89/23/654578923.db2.gz WBJCUDGJMUWLDF-UHFFFAOYSA-N 1 2 399.866 2.227 20 0 GEADLO CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC[N@@H+](C)CC1 ZINC000907787394 654578927 /nfs/dbraw/zinc/57/89/27/654578927.db2.gz WBJCUDGJMUWLDF-UHFFFAOYSA-N 1 2 399.866 2.227 20 0 GEADLO CC(C)n1cc(Br)c(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000907839901 654582659 /nfs/dbraw/zinc/58/26/59/654582659.db2.gz RABNDFAWBNJKIM-BETUJISGSA-N 1 2 387.322 2.408 20 0 GEADLO CC(C)n1cc(Br)c(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000907839901 654582663 /nfs/dbraw/zinc/58/26/63/654582663.db2.gz RABNDFAWBNJKIM-BETUJISGSA-N 1 2 387.322 2.408 20 0 GEADLO Cn1cc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c(Br)n1 ZINC000927618919 654606286 /nfs/dbraw/zinc/60/62/86/654606286.db2.gz ZNDHIUJGYAZLKT-SECBINFHSA-N 1 2 380.168 2.189 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)n1 ZINC000927775092 654613704 /nfs/dbraw/zinc/61/37/04/654613704.db2.gz ZCCPYCPKTXPBQU-UHFFFAOYSA-N 1 2 387.914 2.192 20 0 GEADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928356887 654642190 /nfs/dbraw/zinc/64/21/90/654642190.db2.gz GIUDSWYFLAXHGU-AAEUAGOBSA-N 1 2 376.258 2.362 20 0 GEADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928356276 654642272 /nfs/dbraw/zinc/64/22/72/654642272.db2.gz DTCOHMRWRHWUMX-SMDDNHRTSA-N 1 2 376.258 2.362 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1I ZINC000928635414 654653824 /nfs/dbraw/zinc/65/38/24/654653824.db2.gz LKGFLKWFSSOBPG-LBPRGKRZSA-N 1 2 388.249 2.132 20 0 GEADLO Cc1cc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cnc1Br ZINC000929291250 654678027 /nfs/dbraw/zinc/67/80/27/654678027.db2.gz CZJHVFKEKSFDET-CQSZACIVSA-N 1 2 390.347 2.446 20 0 GEADLO Cc1cc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cnc1Br ZINC000929291250 654678030 /nfs/dbraw/zinc/67/80/30/654678030.db2.gz CZJHVFKEKSFDET-CQSZACIVSA-N 1 2 390.347 2.446 20 0 GEADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ncc(Br)cn1 ZINC000929395745 654682450 /nfs/dbraw/zinc/68/24/50/654682450.db2.gz VUTFJROTWLUXGY-UHFFFAOYSA-N 1 2 377.242 2.324 20 0 GEADLO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(Br)nc2N)c1 ZINC000929620179 654689032 /nfs/dbraw/zinc/68/90/32/654689032.db2.gz OQUPFHUAYMAAOH-UHFFFAOYSA-N 1 2 396.285 2.438 20 0 GEADLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc(Br)nc2N)c1 ZINC000929620179 654689034 /nfs/dbraw/zinc/68/90/34/654689034.db2.gz OQUPFHUAYMAAOH-UHFFFAOYSA-N 1 2 396.285 2.438 20 0 GEADLO CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000930251771 654703172 /nfs/dbraw/zinc/70/31/72/654703172.db2.gz ZDIKMWPMQYKURO-UONOGXRCSA-N 1 2 384.571 2.001 20 0 GEADLO COc1ccc(C[NH2+][C@@H]2COCCC2(OC)OC)c(Br)c1OC ZINC000931665953 654751993 /nfs/dbraw/zinc/75/19/93/654751993.db2.gz FGOVWRYNYNBEGN-CYBMUJFWSA-N 1 2 390.274 2.334 20 0 GEADLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1nc2ccc(Br)cc2n1C ZINC000931675484 654752934 /nfs/dbraw/zinc/75/29/34/654752934.db2.gz OPGMEASHHGORPW-AWEZNQCLSA-N 1 2 384.274 2.203 20 0 GEADLO COC(=O)c1ccc(Br)c(C[NH2+][C@@H]2COCCC2(OC)OC)c1 ZINC000931676542 654753211 /nfs/dbraw/zinc/75/32/11/654753211.db2.gz IPQLHWJMELPMBA-CQSZACIVSA-N 1 2 388.258 2.103 20 0 GEADLO O=C1C[C@@H](C[N@@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(Br)cc2)CN1 ZINC000931798356 654757547 /nfs/dbraw/zinc/75/75/47/654757547.db2.gz JQBVRBYVIXRYSH-DIFFPNOSSA-N 1 2 375.270 2.256 20 0 GEADLO O=C1C[C@@H](C[N@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(Br)cc2)CN1 ZINC000931798356 654757549 /nfs/dbraw/zinc/75/75/49/654757549.db2.gz JQBVRBYVIXRYSH-DIFFPNOSSA-N 1 2 375.270 2.256 20 0 GEADLO C[N@@H+](Cc1ncc(Br)cn1)C[C@@H](O)COCc1ccccc1F ZINC000931868592 654759430 /nfs/dbraw/zinc/75/94/30/654759430.db2.gz AHZQPOAOSINFSD-CQSZACIVSA-N 1 2 384.249 2.388 20 0 GEADLO C[N@H+](Cc1ncc(Br)cn1)C[C@@H](O)COCc1ccccc1F ZINC000931868592 654759434 /nfs/dbraw/zinc/75/94/34/654759434.db2.gz AHZQPOAOSINFSD-CQSZACIVSA-N 1 2 384.249 2.388 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912615676 654760918 /nfs/dbraw/zinc/76/09/18/654760918.db2.gz UHCLBFONYLKPKX-QMMMGPOBSA-N 1 2 380.417 2.189 20 0 GEADLO C[C@]1([C@H]2CCC[N@@H+]([C@H](C(N)=O)c3cccc(Br)c3)C2)COC(=O)N1 ZINC000932018622 654764115 /nfs/dbraw/zinc/76/41/15/654764115.db2.gz BAINLYXOZSXUHF-RVSPLBMKSA-N 1 2 396.285 2.186 20 0 GEADLO C[C@]1([C@H]2CCC[N@H+]([C@H](C(N)=O)c3cccc(Br)c3)C2)COC(=O)N1 ZINC000932018622 654764118 /nfs/dbraw/zinc/76/41/18/654764118.db2.gz BAINLYXOZSXUHF-RVSPLBMKSA-N 1 2 396.285 2.186 20 0 GEADLO Cn1cc(Br)c(C(=O)NCCCCNc2cccc[nH+]2)cc1=O ZINC000932029570 654764553 /nfs/dbraw/zinc/76/45/53/654764553.db2.gz ASUBHFMLCQBKQR-UHFFFAOYSA-N 1 2 379.258 2.165 20 0 GEADLO Cc1csc(SCc2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3CO)cc2)n1 ZINC000912748799 654766195 /nfs/dbraw/zinc/76/61/95/654766195.db2.gz GJDMUGNBQPNYPE-INIZCTEOSA-N 1 2 377.535 2.492 20 0 GEADLO Cc1csc(SCc2ccc(C(=O)N3CC[N@H+](C)C[C@H]3CO)cc2)n1 ZINC000912748799 654766196 /nfs/dbraw/zinc/76/61/96/654766196.db2.gz GJDMUGNBQPNYPE-INIZCTEOSA-N 1 2 377.535 2.492 20 0 GEADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000932087721 654766514 /nfs/dbraw/zinc/76/65/14/654766514.db2.gz WNUGJOHHMSSUST-AAEUAGOBSA-N 1 2 382.448 2.156 20 0 GEADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000932087721 654766517 /nfs/dbraw/zinc/76/65/17/654766517.db2.gz WNUGJOHHMSSUST-AAEUAGOBSA-N 1 2 382.448 2.156 20 0 GEADLO CC[N@H+](CCC(N)=O)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000932482832 654779151 /nfs/dbraw/zinc/77/91/51/654779151.db2.gz XBWQZCBENNFYGG-UHFFFAOYSA-N 1 2 376.770 2.032 20 0 GEADLO CC[N@@H+](CCC(N)=O)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000932482832 654779159 /nfs/dbraw/zinc/77/91/59/654779159.db2.gz XBWQZCBENNFYGG-UHFFFAOYSA-N 1 2 376.770 2.032 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@@H+]([C@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000932660953 654784660 /nfs/dbraw/zinc/78/46/60/654784660.db2.gz UESAORHHHVAXOY-NEPJUHHUSA-N 1 2 379.507 2.485 20 0 GEADLO COC(=O)c1cnc([C@H]2CC[N@H+]([C@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000932660953 654784664 /nfs/dbraw/zinc/78/46/64/654784664.db2.gz UESAORHHHVAXOY-NEPJUHHUSA-N 1 2 379.507 2.485 20 0 GEADLO Cc1ncc(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(C)c1Br ZINC000932786489 654790459 /nfs/dbraw/zinc/79/04/59/654790459.db2.gz SOEHTFLWFZKUHB-LLVKDONJSA-N 1 2 384.322 2.218 20 0 GEADLO O=C(C[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)Nc1cnccn1 ZINC000932815585 654791848 /nfs/dbraw/zinc/79/18/48/654791848.db2.gz PDQVHXOPSSVLFL-KRWDZBQOSA-N 1 2 391.269 2.161 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)Nc1cnccn1 ZINC000932815585 654791850 /nfs/dbraw/zinc/79/18/50/654791850.db2.gz PDQVHXOPSSVLFL-KRWDZBQOSA-N 1 2 391.269 2.161 20 0 GEADLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)cc1I ZINC000913446867 654792517 /nfs/dbraw/zinc/79/25/17/654792517.db2.gz FRSNRUIQMQKTLE-CQSZACIVSA-N 1 2 396.232 2.109 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913450846 654792830 /nfs/dbraw/zinc/79/28/30/654792830.db2.gz GKXSXUCYCBOQIQ-HNNXBMFYSA-N 1 2 393.285 2.287 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)C(F)(F)c3ccc(Br)cc3)CC[NH2+]2)cn1 ZINC000913456809 654793157 /nfs/dbraw/zinc/79/31/57/654793157.db2.gz SWELITBJGRDWMQ-AWEZNQCLSA-N 1 2 399.239 2.448 20 0 GEADLO Cc1ccc(Br)cc1CC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913461457 654793631 /nfs/dbraw/zinc/79/36/31/654793631.db2.gz WMRSMPCTRKTJGS-MRXNPFEDSA-N 1 2 377.286 2.207 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)Cc3c(F)ccc(Br)c3F)CC[NH2+]2)cn1 ZINC000913460835 654793657 /nfs/dbraw/zinc/79/36/57/654793657.db2.gz OFBOJPVYWUJXPR-AWEZNQCLSA-N 1 2 399.239 2.176 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3c[nH]c4cccc(Br)c34)CC[NH2+]2)cn1 ZINC000913463698 654793930 /nfs/dbraw/zinc/79/39/30/654793930.db2.gz IDUISEXSANNQEG-OAHLLOKOSA-N 1 2 388.269 2.451 20 0 GEADLO CCN(C(=O)C[N@@H+]1CCC[C@@]1(C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000932929907 654794507 /nfs/dbraw/zinc/79/45/07/654794507.db2.gz LRYKPVWLSJFNMW-YJBOKZPZSA-N 1 2 384.567 2.181 20 0 GEADLO CCN(C(=O)C[N@H+]1CCC[C@@]1(C)Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000932929907 654794509 /nfs/dbraw/zinc/79/45/09/654794509.db2.gz LRYKPVWLSJFNMW-YJBOKZPZSA-N 1 2 384.567 2.181 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3cc(F)c(Br)cc3F)CC[NH2+]2)cn1 ZINC000913474692 654794629 /nfs/dbraw/zinc/79/46/29/654794629.db2.gz OPGAKLPEIBLUMM-AWEZNQCLSA-N 1 2 385.212 2.248 20 0 GEADLO Cc1cc2scc(CC(=O)N3CCO[C@@H](C[NH+]4CCOCC4)C3)c2s1 ZINC000913477845 654794788 /nfs/dbraw/zinc/79/47/88/654794788.db2.gz SYOZVJWPZFWWBQ-HNNXBMFYSA-N 1 2 380.535 2.373 20 0 GEADLO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000932962094 654798494 /nfs/dbraw/zinc/79/84/94/654798494.db2.gz IBTNMKAUOPRALN-CYBMUJFWSA-N 1 2 385.942 2.498 20 0 GEADLO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000932962094 654798495 /nfs/dbraw/zinc/79/84/95/654798495.db2.gz IBTNMKAUOPRALN-CYBMUJFWSA-N 1 2 385.942 2.498 20 0 GEADLO O=S1(=O)NC[C@H]2C[N@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CCN21 ZINC000933103473 654801878 /nfs/dbraw/zinc/80/18/78/654801878.db2.gz KZZAVXXVGIEBRO-ZWKOTPCHSA-N 1 2 377.897 2.264 20 0 GEADLO O=S1(=O)NC[C@H]2C[N@@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CCN21 ZINC000933103473 654801879 /nfs/dbraw/zinc/80/18/79/654801879.db2.gz KZZAVXXVGIEBRO-ZWKOTPCHSA-N 1 2 377.897 2.264 20 0 GEADLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCn2ncc(I)c2C1 ZINC000933114604 654802542 /nfs/dbraw/zinc/80/25/42/654802542.db2.gz NPFMORIHISLRKB-UHFFFAOYSA-N 1 2 391.644 2.199 20 0 GEADLO Cc1nn(C)c(Cl)c1C[N@H+]1CCn2ncc(I)c2C1 ZINC000933114604 654802543 /nfs/dbraw/zinc/80/25/43/654802543.db2.gz NPFMORIHISLRKB-UHFFFAOYSA-N 1 2 391.644 2.199 20 0 GEADLO O=C(Cc1c[nH]c[nH+]1)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000913688376 654804419 /nfs/dbraw/zinc/80/44/19/654804419.db2.gz BMUIDMUVXIVFDP-NSHDSACASA-N 1 2 379.258 2.172 20 0 GEADLO CC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C(C)(C)C(=O)OC ZINC000933189843 654804637 /nfs/dbraw/zinc/80/46/37/654804637.db2.gz CYTFNDGIBRRSFJ-UHFFFAOYSA-N 1 2 382.258 2.231 20 0 GEADLO CC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C(C)(C)C(=O)OC ZINC000933189843 654804640 /nfs/dbraw/zinc/80/46/40/654804640.db2.gz CYTFNDGIBRRSFJ-UHFFFAOYSA-N 1 2 382.258 2.231 20 0 GEADLO C[C@@H](CNC(=O)[C@](C)(O)c1ccc(F)c(Br)c1)Cn1cc[nH+]c1 ZINC000933299910 654807141 /nfs/dbraw/zinc/80/71/41/654807141.db2.gz XLVBUHSHFRMVNU-MEDUHNTESA-N 1 2 384.249 2.445 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCCSC[C@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000933918520 654829955 /nfs/dbraw/zinc/82/99/55/654829955.db2.gz TZUDVWPYZDYVRD-SJORKVTESA-N 1 2 388.599 2.020 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCCSC[C@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000933918520 654829958 /nfs/dbraw/zinc/82/99/58/654829958.db2.gz TZUDVWPYZDYVRD-SJORKVTESA-N 1 2 388.599 2.020 20 0 GEADLO Cn1cc([C@@H]2CSCCC[N@@H+]2C[C@H](O)c2cc(Br)no2)cn1 ZINC000933973231 654832285 /nfs/dbraw/zinc/83/22/85/654832285.db2.gz IZXUFHJSKPTDGI-RYUDHWBXSA-N 1 2 387.303 2.384 20 0 GEADLO Cn1cc([C@@H]2CSCCC[N@H+]2C[C@H](O)c2cc(Br)no2)cn1 ZINC000933973231 654832286 /nfs/dbraw/zinc/83/22/86/654832286.db2.gz IZXUFHJSKPTDGI-RYUDHWBXSA-N 1 2 387.303 2.384 20 0 GEADLO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914184644 654833442 /nfs/dbraw/zinc/83/34/42/654833442.db2.gz HSESRVQQPXVBJD-YYUOZPCZSA-N 1 2 399.460 2.304 20 0 GEADLO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914184644 654833443 /nfs/dbraw/zinc/83/34/43/654833443.db2.gz HSESRVQQPXVBJD-YYUOZPCZSA-N 1 2 399.460 2.304 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CCSC2(CCC2)C1 ZINC000914328098 654845443 /nfs/dbraw/zinc/84/54/43/654845443.db2.gz GEIPZLQWSLETRC-RDJZCZTQSA-N 1 2 385.599 2.312 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934365639 654846128 /nfs/dbraw/zinc/84/61/28/654846128.db2.gz MMRXHEPGABVTMI-NSHDSACASA-N 1 2 386.294 2.213 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934365639 654846131 /nfs/dbraw/zinc/84/61/31/654846131.db2.gz MMRXHEPGABVTMI-NSHDSACASA-N 1 2 386.294 2.213 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Nc2c(Br)cnn2C2CC2)[C@@H](C)CO1 ZINC000934368429 654846390 /nfs/dbraw/zinc/84/63/90/654846390.db2.gz FMVOULBLXGEXOB-QWRGUYRKSA-N 1 2 386.294 2.211 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2c(Br)cnn2C2CC2)[C@@H](C)CO1 ZINC000934368429 654846392 /nfs/dbraw/zinc/84/63/92/654846392.db2.gz FMVOULBLXGEXOB-QWRGUYRKSA-N 1 2 386.294 2.211 20 0 GEADLO C[C@H]([C@H](C)NC(=O)Nc1c(Br)cnn1C1CC1)[NH+]1CCOCC1 ZINC000934377698 654848422 /nfs/dbraw/zinc/84/84/22/654848422.db2.gz VZQJOTQZXSVHED-WDEREUQCSA-N 1 2 386.294 2.211 20 0 GEADLO O=C(c1cc(F)cc(Br)c1F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000934589024 654853856 /nfs/dbraw/zinc/85/38/56/654853856.db2.gz QFIIECVXHFSCOB-NSHDSACASA-N 1 2 375.213 2.274 20 0 GEADLO O=C(c1cc(Br)cnc1C1CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000934592155 654853898 /nfs/dbraw/zinc/85/38/98/654853898.db2.gz JWEQVWSWNMADNY-CQSZACIVSA-N 1 2 380.286 2.268 20 0 GEADLO CCOC(=O)/C=C/C[NH2+][C@H](CO)c1ccccc1I ZINC000934826389 654861652 /nfs/dbraw/zinc/86/16/52/654861652.db2.gz LFRLEEZAEUFIKA-OQHXTRMZSA-N 1 2 375.206 2.034 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NC2CCN(CC(F)(F)F)CC2)n1 ZINC000915126306 654863452 /nfs/dbraw/zinc/86/34/52/654863452.db2.gz OUYVPWCEABEUBZ-UHFFFAOYSA-N 1 2 379.452 2.031 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[nH+]c12 ZINC000935368574 654890164 /nfs/dbraw/zinc/89/01/64/654890164.db2.gz GUQOOTWWKNRVPK-LEOABGAYSA-N 1 2 390.281 2.487 20 0 GEADLO Cc1cccc(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1Br ZINC000935577533 654901171 /nfs/dbraw/zinc/90/11/71/654901171.db2.gz JFSSAPVLKBAQNW-CVEARBPZSA-N 1 2 397.313 2.254 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)c1ccc(S(C)(=O)=O)nc1)c1ccc(Cl)cc1 ZINC000935869826 654922834 /nfs/dbraw/zinc/92/28/34/654922834.db2.gz SJTDDIVMZNJAJQ-HNNXBMFYSA-N 1 2 381.885 2.171 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)nc1)c1ccc(Cl)cc1 ZINC000935869827 654922859 /nfs/dbraw/zinc/92/28/59/654922859.db2.gz SJTDDIVMZNJAJQ-OAHLLOKOSA-N 1 2 381.885 2.171 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cnn2cccc(Br)c12 ZINC000935933067 654928262 /nfs/dbraw/zinc/92/82/62/654928262.db2.gz KTKXFXBWQHCNGE-QWHCGFSZSA-N 1 2 393.285 2.032 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1sccc1Cl ZINC000998635393 654952423 /nfs/dbraw/zinc/95/24/23/654952423.db2.gz BOSZXSKEULNYPS-SWHYSGLUSA-N 1 2 378.885 2.239 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C)cc(Cl)c3C)CC2)C1=O ZINC001164641204 719275988 /nfs/dbraw/zinc/27/59/88/719275988.db2.gz UHLSTFNMMQYOBG-UHFFFAOYSA-N 1 2 380.920 2.111 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)cc(Cl)c3C)CC2)C1=O ZINC001164641204 719275996 /nfs/dbraw/zinc/27/59/96/719275996.db2.gz UHLSTFNMMQYOBG-UHFFFAOYSA-N 1 2 380.920 2.111 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(C2CC2)n1 ZINC001164698095 719842874 /nfs/dbraw/zinc/84/28/74/719842874.db2.gz FHJUQOZENQVIJF-IFXJQAMLSA-N 1 2 394.903 2.240 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(OC(C)C)ccn1 ZINC001164704698 719857934 /nfs/dbraw/zinc/85/79/34/719857934.db2.gz SKIZHOKVBSQEBB-OXJNMPFZSA-N 1 2 377.485 2.102 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(OC)c2ccccc2n1 ZINC001164706595 719862630 /nfs/dbraw/zinc/86/26/30/719862630.db2.gz YDINMVYKTGHTNB-AOMKIAJQSA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(CSC)ccn1 ZINC001164703836 719875687 /nfs/dbraw/zinc/87/56/87/719875687.db2.gz KVSNWZFCNUXUPC-LPHOPBHVSA-N 1 2 379.526 2.177 20 0 GEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)cc3Cl)C2)C1 ZINC001164718534 720212641 /nfs/dbraw/zinc/21/26/41/720212641.db2.gz MZRJZBHSWCYCER-KRWDZBQOSA-N 1 2 387.311 2.053 20 0 GEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)cc3Cl)C2)C1 ZINC001164718534 720212644 /nfs/dbraw/zinc/21/26/44/720212644.db2.gz MZRJZBHSWCYCER-KRWDZBQOSA-N 1 2 387.311 2.053 20 0 GEADLO CCOC(=O)c1ccc(C)c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165009201 721693256 /nfs/dbraw/zinc/69/32/56/721693256.db2.gz ODQIJWXRXCIIJN-UHFFFAOYSA-N 1 2 386.500 2.409 20 0 GEADLO CCOC(=O)c1ccc(C)c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165009201 721693262 /nfs/dbraw/zinc/69/32/62/721693262.db2.gz ODQIJWXRXCIIJN-UHFFFAOYSA-N 1 2 386.500 2.409 20 0 GEADLO COc1ccc2cnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc2c1 ZINC001165011378 721700704 /nfs/dbraw/zinc/70/07/04/721700704.db2.gz ROZYKHSYLJGWTH-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO COc1ccc2cnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc2c1 ZINC001165011378 721700706 /nfs/dbraw/zinc/70/07/06/721700706.db2.gz ROZYKHSYLJGWTH-UHFFFAOYSA-N 1 2 381.484 2.480 20 0 GEADLO Cc1noc(-c2cccnc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165010080 721714321 /nfs/dbraw/zinc/71/43/21/721714321.db2.gz ZFMCWXHJNHNOBH-UHFFFAOYSA-N 1 2 382.472 2.282 20 0 GEADLO Cc1noc(-c2cccnc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165010080 721714324 /nfs/dbraw/zinc/71/43/24/721714324.db2.gz ZFMCWXHJNHNOBH-UHFFFAOYSA-N 1 2 382.472 2.282 20 0 GEADLO CC(C)(C)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164915297 721794853 /nfs/dbraw/zinc/79/48/53/721794853.db2.gz VTLPSCCQTQNPTA-QFIPXVFZSA-N 1 2 397.523 2.277 20 0 GEADLO CC(C)(C)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164915297 721794864 /nfs/dbraw/zinc/79/48/64/721794864.db2.gz VTLPSCCQTQNPTA-QFIPXVFZSA-N 1 2 397.523 2.277 20 0 GEADLO Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@@H]21 ZINC001164946749 721955686 /nfs/dbraw/zinc/95/56/86/721955686.db2.gz OTQFKKACQMTTGK-OALUTQOASA-N 1 2 398.511 2.161 20 0 GEADLO Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@H]21 ZINC001164946746 721955895 /nfs/dbraw/zinc/95/58/95/721955895.db2.gz OTQFKKACQMTTGK-MOPGFXCFSA-N 1 2 398.511 2.161 20 0 GEADLO CSc1nc(C)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164946892 721968912 /nfs/dbraw/zinc/96/89/12/721968912.db2.gz NZXCCZNINAIALH-UHFFFAOYSA-N 1 2 397.548 2.478 20 0 GEADLO CSc1nc(C)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164946892 721968916 /nfs/dbraw/zinc/96/89/16/721968916.db2.gz NZXCCZNINAIALH-UHFFFAOYSA-N 1 2 397.548 2.478 20 0 GEADLO CSc1cc(C)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945740 721973802 /nfs/dbraw/zinc/97/38/02/721973802.db2.gz RKSLFAQHGUTFPC-UHFFFAOYSA-N 1 2 397.548 2.478 20 0 GEADLO CSc1cc(C)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945740 721973804 /nfs/dbraw/zinc/97/38/04/721973804.db2.gz RKSLFAQHGUTFPC-UHFFFAOYSA-N 1 2 397.548 2.478 20 0 GEADLO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N(CCO)CC[NH+]1CCOCC1 ZINC000152404558 531549039 /nfs/dbraw/zinc/54/90/39/531549039.db2.gz RBTZSFDIVNREJG-HZPDHXFCSA-N 1 2 387.307 2.250 20 0 GEADLO CN(C)c1nc(N)nc(C[N@H+](C)CC2(c3ccc(Br)cc3)CC2)n1 ZINC000152603602 531560211 /nfs/dbraw/zinc/56/02/11/531560211.db2.gz PZQMDIMZIYJSAH-UHFFFAOYSA-N 1 2 391.317 2.446 20 0 GEADLO CN(C)c1nc(N)nc(C[N@@H+](C)CC2(c3ccc(Br)cc3)CC2)n1 ZINC000152603602 531560218 /nfs/dbraw/zinc/56/02/18/531560218.db2.gz PZQMDIMZIYJSAH-UHFFFAOYSA-N 1 2 391.317 2.446 20 0 GEADLO CNS(=O)(=O)CCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000152484881 531554005 /nfs/dbraw/zinc/55/40/05/531554005.db2.gz LPPOVQKKWLXOBF-SWLSCSKDSA-N 1 2 391.331 2.150 20 0 GEADLO CNS(=O)(=O)CCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000152484881 531554009 /nfs/dbraw/zinc/55/40/09/531554009.db2.gz LPPOVQKKWLXOBF-SWLSCSKDSA-N 1 2 391.331 2.150 20 0 GEADLO [NH2+]=C1Nc2nc3ccccc3n2[C@@]2(N1)C(=O)Nc1ccc(Br)cc12 ZINC000017078239 531572944 /nfs/dbraw/zinc/57/29/44/531572944.db2.gz TWOSYCFWHPZYFZ-MRXNPFEDSA-N 1 2 383.209 2.402 20 0 GEADLO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC(=O)Nc1ccc(Br)cn1)CC2 ZINC000152882758 531577341 /nfs/dbraw/zinc/57/73/41/531577341.db2.gz FHXJJGJPVGCMKS-ZIAGYGMSSA-N 1 2 398.301 2.035 20 0 GEADLO C[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)Cn1cc[nH+]c1 ZINC000153716171 531606845 /nfs/dbraw/zinc/60/68/45/531606845.db2.gz CWKACDCQDQRUPC-CYBMUJFWSA-N 1 2 393.285 2.218 20 0 GEADLO C[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)Cn1cc[nH+]c1 ZINC000153716064 531606912 /nfs/dbraw/zinc/60/69/12/531606912.db2.gz CWKACDCQDQRUPC-ZDUSSCGKSA-N 1 2 393.285 2.218 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)Cc1cnn(C)c1 ZINC000027215109 531623347 /nfs/dbraw/zinc/62/33/47/531623347.db2.gz GVLHECUWHVDYKW-NSHDSACASA-N 1 2 398.248 2.484 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000027215109 531623356 /nfs/dbraw/zinc/62/33/56/531623356.db2.gz GVLHECUWHVDYKW-NSHDSACASA-N 1 2 398.248 2.484 20 0 GEADLO CCn1c(S[C@@H](C)C(=O)N2CC[NH+](CC)CC2)nc2ccsc2c1=O ZINC000027824979 531627629 /nfs/dbraw/zinc/62/76/29/531627629.db2.gz GLOUZDMUZAYQRZ-LBPRGKRZSA-N 1 2 380.539 2.123 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000154764793 531631997 /nfs/dbraw/zinc/63/19/97/531631997.db2.gz IVCGESYRNOBOQT-HUUCEWRRSA-N 1 2 382.346 2.380 20 0 GEADLO CC[C@H](C)[C@H](NC(=O)C[N@H+](C)Cc1ccc(Br)o1)C(=O)OC ZINC000030973646 531643824 /nfs/dbraw/zinc/64/38/24/531643824.db2.gz MSSQFMYKIDIYME-HZMBPMFUSA-N 1 2 375.263 2.178 20 0 GEADLO CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)Cc1ccc(Br)o1)C(=O)OC ZINC000030973646 531643832 /nfs/dbraw/zinc/64/38/32/531643832.db2.gz MSSQFMYKIDIYME-HZMBPMFUSA-N 1 2 375.263 2.178 20 0 GEADLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000030972086 531644024 /nfs/dbraw/zinc/64/40/24/531644024.db2.gz AVDXBITUBHDJLM-GJZGRUSLSA-N 1 2 395.345 2.471 20 0 GEADLO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031942149 531646898 /nfs/dbraw/zinc/64/68/98/531646898.db2.gz BVYDAHQCGHMWQN-KBXCAEBGSA-N 1 2 384.929 2.431 20 0 GEADLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CCc2sccc2C1 ZINC000154845324 531638286 /nfs/dbraw/zinc/63/82/86/531638286.db2.gz YHUKGOKADZMTBU-UHFFFAOYSA-N 1 2 378.519 2.282 20 0 GEADLO O=S(=O)(NCc1ccc[nH+]c1N1CCOCC1)c1cccc(Cl)c1F ZINC000032417465 531651269 /nfs/dbraw/zinc/65/12/69/531651269.db2.gz ZLZYQJVBVRQZCX-UHFFFAOYSA-N 1 2 385.848 2.189 20 0 GEADLO O=C(CSc1ccc(F)c(F)c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000041409157 531663063 /nfs/dbraw/zinc/66/30/63/531663063.db2.gz FMCQVTBVCZEAGM-KRWDZBQOSA-N 1 2 388.505 2.381 20 0 GEADLO Cc1sc(Br)cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000155234454 531667083 /nfs/dbraw/zinc/66/70/83/531667083.db2.gz XPSMZFUHHIKUJR-JTQLQIEISA-N 1 2 397.360 2.066 20 0 GEADLO Cc1cnc([C@H](C)NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)s1 ZINC000155258281 531667986 /nfs/dbraw/zinc/66/79/86/531667986.db2.gz UQEYWMFEMMEHHH-ZDUSSCGKSA-N 1 2 381.523 2.278 20 0 GEADLO O=C(C[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1)N1CCCC1 ZINC000043134524 531678801 /nfs/dbraw/zinc/67/88/01/531678801.db2.gz LLUCDVKOWIVGKU-UHFFFAOYSA-N 1 2 395.301 2.221 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000155663536 531693982 /nfs/dbraw/zinc/69/39/82/531693982.db2.gz ZMTXRHCQYATGKV-CQSZACIVSA-N 1 2 384.299 2.121 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000155663536 531693989 /nfs/dbraw/zinc/69/39/89/531693989.db2.gz ZMTXRHCQYATGKV-CQSZACIVSA-N 1 2 384.299 2.121 20 0 GEADLO Cc1cccc(S(=O)(=O)CCC[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000155571027 531691131 /nfs/dbraw/zinc/69/11/31/531691131.db2.gz OLTJRTYUXNPUQI-ROUUACIJSA-N 1 2 387.567 2.446 20 0 GEADLO Cc1cccc(S(=O)(=O)CCC[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000155571027 531691135 /nfs/dbraw/zinc/69/11/35/531691135.db2.gz OLTJRTYUXNPUQI-ROUUACIJSA-N 1 2 387.567 2.446 20 0 GEADLO C[C@@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccc(Cl)s1 ZINC000046600063 531705295 /nfs/dbraw/zinc/70/52/95/531705295.db2.gz QBQAIXQXICWOLA-CYBMUJFWSA-N 1 2 384.933 2.412 20 0 GEADLO O=S1(=O)CCN(C2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000155907714 531705443 /nfs/dbraw/zinc/70/54/43/531705443.db2.gz CDFNQDASTPYXBI-UHFFFAOYSA-N 1 2 387.343 2.144 20 0 GEADLO COc1ccc([C@H](C)NC(=O)NCC[NH+]2CCOCC2)cc1Br ZINC000047618236 531717977 /nfs/dbraw/zinc/71/79/77/531717977.db2.gz UNRGZTIUHWFJLI-LBPRGKRZSA-N 1 2 386.290 2.150 20 0 GEADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000156168034 531718962 /nfs/dbraw/zinc/71/89/62/531718962.db2.gz ZLPMUWKYDWLGLP-LBPRGKRZSA-N 1 2 380.279 2.496 20 0 GEADLO CC(C)(CNC(=O)NCc1ccc(Br)s1)[NH+]1CCOCC1 ZINC000047855691 531722157 /nfs/dbraw/zinc/72/21/57/531722157.db2.gz JINJRCBUSHOCSV-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CS(=O)(=O)c1csc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000157269392 531735616 /nfs/dbraw/zinc/73/56/16/531735616.db2.gz WKKOGFULOGFQTN-UHFFFAOYSA-N 1 2 380.491 2.236 20 0 GEADLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000051536969 531741996 /nfs/dbraw/zinc/74/19/96/531741996.db2.gz PCECTWYQPXDPFN-AWEZNQCLSA-N 1 2 381.318 2.367 20 0 GEADLO CN1CC[NH+]([C@@H](CNC(=O)NCCc2nccs2)c2cccs2)CC1 ZINC000051757101 531744053 /nfs/dbraw/zinc/74/40/53/531744053.db2.gz YIBLEKRPBIXJFC-AWEZNQCLSA-N 1 2 379.555 2.035 20 0 GEADLO Cc1cnc(CC[N@@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)s1 ZINC000157599901 531747017 /nfs/dbraw/zinc/74/70/17/531747017.db2.gz MGKKKUXIQVBKFH-UHFFFAOYSA-N 1 2 378.523 2.214 20 0 GEADLO Cc1cnc(CC[N@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)s1 ZINC000157599901 531747027 /nfs/dbraw/zinc/74/70/27/531747027.db2.gz MGKKKUXIQVBKFH-UHFFFAOYSA-N 1 2 378.523 2.214 20 0 GEADLO CCOc1cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc(Br)c1OC ZINC000157610556 531748825 /nfs/dbraw/zinc/74/88/25/531748825.db2.gz XBPXQWHEBOZXOK-LBPRGKRZSA-N 1 2 392.315 2.475 20 0 GEADLO CCOc1cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc(Br)c1OC ZINC000157610556 531748834 /nfs/dbraw/zinc/74/88/34/531748834.db2.gz XBPXQWHEBOZXOK-LBPRGKRZSA-N 1 2 392.315 2.475 20 0 GEADLO Cc1csc(=O)n1CC[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000052109929 531749128 /nfs/dbraw/zinc/74/91/28/531749128.db2.gz IBANEWMCCVFUCV-UHFFFAOYSA-N 1 2 383.876 2.469 20 0 GEADLO Cc1nc(N2CC[NH+]([C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)sc1C ZINC000157612565 531749610 /nfs/dbraw/zinc/74/96/10/531749610.db2.gz PDCKUKIJVSCHME-CYBMUJFWSA-N 1 2 376.448 2.435 20 0 GEADLO Cc1nsc(N2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)n1 ZINC000157871763 531758611 /nfs/dbraw/zinc/75/86/11/531758611.db2.gz GGQKBCNWOYSRGL-CQSZACIVSA-N 1 2 383.315 2.465 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1ccnc(-n2cncn2)c1 ZINC000054139267 531773952 /nfs/dbraw/zinc/77/39/52/531773952.db2.gz KTQKWPWINNDVAL-UHFFFAOYSA-N 1 2 398.224 2.003 20 0 GEADLO O=C(C[NH+]1CCC(C(=O)Nc2nccs2)CC1)Nc1cccnc1Cl ZINC000054178209 531773998 /nfs/dbraw/zinc/77/39/98/531773998.db2.gz LKQRMTIPJDJOJW-UHFFFAOYSA-N 1 2 379.873 2.481 20 0 GEADLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000055290695 531787982 /nfs/dbraw/zinc/78/79/82/531787982.db2.gz QNZKZAIWRGVEDK-STQMWFEESA-N 1 2 391.331 2.227 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCSc3nnnn3C)n2)C1 ZINC000056136183 531808316 /nfs/dbraw/zinc/80/83/16/531808316.db2.gz IUJGNGYKMDPLNJ-NSHDSACASA-N 1 2 381.531 2.019 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCSc3nnnn3C)n2)C1 ZINC000056136183 531808326 /nfs/dbraw/zinc/80/83/26/531808326.db2.gz IUJGNGYKMDPLNJ-NSHDSACASA-N 1 2 381.531 2.019 20 0 GEADLO O=S(=O)(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000056966030 531815720 /nfs/dbraw/zinc/81/57/20/531815720.db2.gz BPOJZWJYBWVNSN-UHFFFAOYSA-N 1 2 379.913 2.441 20 0 GEADLO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000162289543 531838690 /nfs/dbraw/zinc/83/86/90/531838690.db2.gz FINGHNWAJTWRSM-OCCSQVGLSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@@H]1CCC[C@@H](CO)[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000162289543 531838693 /nfs/dbraw/zinc/83/86/93/531838693.db2.gz FINGHNWAJTWRSM-OCCSQVGLSA-N 1 2 376.316 2.458 20 0 GEADLO Nc1ccnc(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)n1 ZINC000162458073 531843949 /nfs/dbraw/zinc/84/39/49/531843949.db2.gz JXIMXNCPIZMGIK-MRXNPFEDSA-N 1 2 390.285 2.275 20 0 GEADLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)c2c(F)cc(F)cc2F)C[C@H](C)O1 ZINC000060498427 531844744 /nfs/dbraw/zinc/84/47/44/531844744.db2.gz QNVXFOLNTVMEBK-PHIMTYICSA-N 1 2 380.432 2.270 20 0 GEADLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)c2c(F)cc(F)cc2F)C[C@H](C)O1 ZINC000060498427 531844751 /nfs/dbraw/zinc/84/47/51/531844751.db2.gz QNVXFOLNTVMEBK-PHIMTYICSA-N 1 2 380.432 2.270 20 0 GEADLO C[C@H](CCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[S@@](C)=O ZINC000163851553 531865859 /nfs/dbraw/zinc/86/58/59/531865859.db2.gz RVNMQFSIWYZJKO-STFLBKPXSA-N 1 2 387.303 2.053 20 0 GEADLO CSc1ccc(Cl)cc1NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000064575411 531868857 /nfs/dbraw/zinc/86/88/57/531868857.db2.gz QLPZTNBGIAJNCQ-UHFFFAOYSA-N 1 2 385.917 2.227 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000163583513 531861077 /nfs/dbraw/zinc/86/10/77/531861077.db2.gz WDSNXPPBSZOQFO-UHFFFAOYSA-N 1 2 380.491 2.236 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000163851692 531864514 /nfs/dbraw/zinc/86/45/14/531864514.db2.gz HFMHYNFMGXWZFX-GFCCVEGCSA-N 1 2 389.257 2.177 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)CC[N@@H+]1CCOC ZINC000166024324 531875616 /nfs/dbraw/zinc/87/56/16/531875616.db2.gz HZLRMHHMBPVELU-ZDUSSCGKSA-N 1 2 380.432 2.225 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)CC[N@H+]1CCOC ZINC000166024324 531875620 /nfs/dbraw/zinc/87/56/20/531875620.db2.gz HZLRMHHMBPVELU-ZDUSSCGKSA-N 1 2 380.432 2.225 20 0 GEADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccccc2OC(F)F)C[C@@H](C)O1 ZINC000170658076 531886624 /nfs/dbraw/zinc/88/66/24/531886624.db2.gz OZRWCZUXVUZJME-CHWSQXEVSA-N 1 2 378.441 2.066 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCc1cc(Br)ccc1F ZINC000068549764 531905062 /nfs/dbraw/zinc/90/50/62/531905062.db2.gz QBSVTUQCIULSNR-LBPRGKRZSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCc1ccc(F)cc1Br)[NH+]1CCOCC1 ZINC000171655956 531910765 /nfs/dbraw/zinc/91/07/65/531910765.db2.gz YPOBDULSXAGUDB-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO O=S(=O)(c1cc(F)ccc1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069868077 531912954 /nfs/dbraw/zinc/91/29/54/531912954.db2.gz MFLCYWQLEHBWBA-ZDUSSCGKSA-N 1 2 376.881 2.212 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1[nH]nc2ccc(Br)cc21)[NH+]1CCOCC1 ZINC000171808108 531917880 /nfs/dbraw/zinc/91/78/80/531917880.db2.gz QZFALLRHBUZAPM-WDEREUQCSA-N 1 2 381.274 2.164 20 0 GEADLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(Br)cn2)CC1 ZINC000171960441 531926316 /nfs/dbraw/zinc/92/63/16/531926316.db2.gz UXQUIBFOFWGZCD-CQSZACIVSA-N 1 2 395.345 2.409 20 0 GEADLO CCC[NH+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000172001699 531928150 /nfs/dbraw/zinc/92/81/50/531928150.db2.gz VRSCHVNRWPUWHY-UHFFFAOYSA-N 1 2 378.270 2.458 20 0 GEADLO Cn1cc[nH+]c1CS(=O)(=O)CCC(=O)Nc1ccc(Br)cc1 ZINC000105715233 531940702 /nfs/dbraw/zinc/94/07/02/531940702.db2.gz JOZZFAPQPCIQOK-UHFFFAOYSA-N 1 2 386.271 2.126 20 0 GEADLO COCC[N@@H+]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@@H]1C ZINC000172224513 531941662 /nfs/dbraw/zinc/94/16/62/531941662.db2.gz ZXXZHHJCOAFUIC-NSHDSACASA-N 1 2 381.274 2.118 20 0 GEADLO COCC[N@H+]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@@H]1C ZINC000172224513 531941672 /nfs/dbraw/zinc/94/16/72/531941672.db2.gz ZXXZHHJCOAFUIC-NSHDSACASA-N 1 2 381.274 2.118 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000112229364 531946323 /nfs/dbraw/zinc/94/63/23/531946323.db2.gz SSBQLQHRZOQMQE-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO COc1ccc(CCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1Br ZINC000114856573 531957163 /nfs/dbraw/zinc/95/71/63/531957163.db2.gz LITGCLANQNFZQB-HNNXBMFYSA-N 1 2 397.313 2.370 20 0 GEADLO COc1ccc(CCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1Br ZINC000114856573 531957169 /nfs/dbraw/zinc/95/71/69/531957169.db2.gz LITGCLANQNFZQB-HNNXBMFYSA-N 1 2 397.313 2.370 20 0 GEADLO O=C(CCC[S@](=O)c1ccc(Br)cc1)NCCc1[nH]cc[nH+]1 ZINC000172992258 531978161 /nfs/dbraw/zinc/97/81/61/531978161.db2.gz IYIMUOMXSOJIQH-QFIPXVFZSA-N 1 2 384.299 2.419 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(F)c1Cl ZINC000173108980 531987995 /nfs/dbraw/zinc/98/79/95/531987995.db2.gz NLCTUMHQVLUVCQ-MRVPVSSYSA-N 1 2 395.859 2.338 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c(F)c1Cl ZINC000173108980 531988000 /nfs/dbraw/zinc/98/80/00/531988000.db2.gz NLCTUMHQVLUVCQ-MRVPVSSYSA-N 1 2 395.859 2.338 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000120681621 531988786 /nfs/dbraw/zinc/98/87/86/531988786.db2.gz ZVQBKDJKMKIQDK-CQSZACIVSA-N 1 2 382.873 2.046 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000120681621 531988791 /nfs/dbraw/zinc/98/87/91/531988791.db2.gz ZVQBKDJKMKIQDK-CQSZACIVSA-N 1 2 382.873 2.046 20 0 GEADLO CC(C)(C)S(=O)(=O)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000173414921 532009375 /nfs/dbraw/zinc/00/93/75/532009375.db2.gz QOCMFPVBQKRTIF-CQSZACIVSA-N 1 2 387.571 2.398 20 0 GEADLO O=C(C[N@@H+]1CCCN(C(=O)C2CC2)CC1)Nc1ccc(Br)cc1 ZINC000121216507 532018097 /nfs/dbraw/zinc/01/80/97/532018097.db2.gz JFBWWAFNJDAHPN-UHFFFAOYSA-N 1 2 380.286 2.332 20 0 GEADLO O=C(C[N@H+]1CCCN(C(=O)C2CC2)CC1)Nc1ccc(Br)cc1 ZINC000121216507 532018103 /nfs/dbraw/zinc/01/81/03/532018103.db2.gz JFBWWAFNJDAHPN-UHFFFAOYSA-N 1 2 380.286 2.332 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1sccc1Br)C2 ZINC000121309438 532021902 /nfs/dbraw/zinc/02/19/02/532021902.db2.gz GUSUXMIMSGERMQ-VIFPVBQESA-N 1 2 376.301 2.309 20 0 GEADLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)C(=O)Nc1ccccc1Br ZINC000173637596 532025149 /nfs/dbraw/zinc/02/51/49/532025149.db2.gz FCZXAUHCVPUSIR-LLVKDONJSA-N 1 2 378.274 2.494 20 0 GEADLO O=C(CN1CCC[C@@H]1C[NH+]1CCOCC1)Nc1ccccc1Br ZINC000173688245 532026164 /nfs/dbraw/zinc/02/61/64/532026164.db2.gz HUFMPFUQHUYDQL-CQSZACIVSA-N 1 2 382.302 2.184 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)c1cc(F)c(F)cc1I ZINC000121462782 532030437 /nfs/dbraw/zinc/03/04/37/532030437.db2.gz KFEJOFUEUJTLLF-UHFFFAOYSA-N 1 2 391.159 2.275 20 0 GEADLO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173753819 532030572 /nfs/dbraw/zinc/03/05/72/532030572.db2.gz RKMRGVNVYZFHNU-AWEZNQCLSA-N 1 2 378.416 2.191 20 0 GEADLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2nc(Br)ccc2O)CC1 ZINC000121540619 532033943 /nfs/dbraw/zinc/03/39/43/532033943.db2.gz AJMCQEBHHXPTOF-UHFFFAOYSA-N 1 2 394.273 2.134 20 0 GEADLO COc1ccc(C(=O)NCCc2c[nH+]cn2C)cc1I ZINC000121611048 532036632 /nfs/dbraw/zinc/03/66/32/532036632.db2.gz SMIBOCGRTMIFHK-UHFFFAOYSA-N 1 2 385.205 2.006 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173894687 532040882 /nfs/dbraw/zinc/04/08/82/532040882.db2.gz KWEFIBFEWDGBHY-CYBMUJFWSA-N 1 2 376.881 2.355 20 0 GEADLO CC(C)C[N@H+](CC(N)=O)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000174114483 532050094 /nfs/dbraw/zinc/05/00/94/532050094.db2.gz DALXVINCJCQQKP-UHFFFAOYSA-N 1 2 378.217 2.109 20 0 GEADLO CC(C)C[N@@H+](CC(N)=O)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000174114483 532050100 /nfs/dbraw/zinc/05/01/00/532050100.db2.gz DALXVINCJCQQKP-UHFFFAOYSA-N 1 2 378.217 2.109 20 0 GEADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)Cc1csc(Br)c1 ZINC000174130195 532051817 /nfs/dbraw/zinc/05/18/17/532051817.db2.gz VRIRUENMRXFJMC-JTQLQIEISA-N 1 2 388.331 2.068 20 0 GEADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)Cc1csc(Br)c1 ZINC000174130195 532051822 /nfs/dbraw/zinc/05/18/22/532051822.db2.gz VRIRUENMRXFJMC-JTQLQIEISA-N 1 2 388.331 2.068 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)c(Cl)cc1F ZINC000122983451 532089645 /nfs/dbraw/zinc/08/96/45/532089645.db2.gz LOEXDICIWIPZNT-UHFFFAOYSA-N 1 2 376.881 2.273 20 0 GEADLO Cc1csc(N2CC[NH+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)n1 ZINC000123260365 532096778 /nfs/dbraw/zinc/09/67/78/532096778.db2.gz OBJUKLNXEIWDGC-UHFFFAOYSA-N 1 2 375.885 2.435 20 0 GEADLO COc1ccc(Br)c(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000123319649 532098262 /nfs/dbraw/zinc/09/82/62/532098262.db2.gz MOKIBZQOEDFKFP-CYBMUJFWSA-N 1 2 396.329 2.242 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)CCCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123968962 532111698 /nfs/dbraw/zinc/11/16/98/532111698.db2.gz IYRZWEPHURPQGK-DYVFJYSZSA-N 1 2 390.908 2.413 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)CCCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123968962 532111701 /nfs/dbraw/zinc/11/17/01/532111701.db2.gz IYRZWEPHURPQGK-DYVFJYSZSA-N 1 2 390.908 2.413 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+](CCC2OCCO2)CC1 ZINC000123745823 532105844 /nfs/dbraw/zinc/10/58/44/532105844.db2.gz FNSNCPIWHNQQAP-UHFFFAOYSA-N 1 2 395.308 2.063 20 0 GEADLO CC[N@H+](CCC(=O)OC)CCS(=O)(=O)c1cccc(Br)c1 ZINC000175612501 532109355 /nfs/dbraw/zinc/10/93/55/532109355.db2.gz AZLCXSMPXMEBIG-UHFFFAOYSA-N 1 2 378.288 2.108 20 0 GEADLO CC[N@@H+](CCC(=O)OC)CCS(=O)(=O)c1cccc(Br)c1 ZINC000175612501 532109357 /nfs/dbraw/zinc/10/93/57/532109357.db2.gz AZLCXSMPXMEBIG-UHFFFAOYSA-N 1 2 378.288 2.108 20 0 GEADLO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000175657223 532111083 /nfs/dbraw/zinc/11/10/83/532111083.db2.gz XONYHMFVHXOYAE-WFASDCNBSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@H](O)[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000175657223 532111084 /nfs/dbraw/zinc/11/10/84/532111084.db2.gz XONYHMFVHXOYAE-WFASDCNBSA-N 1 2 376.316 2.458 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000175924336 532120302 /nfs/dbraw/zinc/12/03/02/532120302.db2.gz LGPYSOVXQWCYHN-UHFFFAOYSA-N 1 2 399.314 2.409 20 0 GEADLO Cc1ccc(C[C@H](C)NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000124398939 532120869 /nfs/dbraw/zinc/12/08/69/532120869.db2.gz FKTZJPYOWYUNDC-KBXCAEBGSA-N 1 2 383.583 2.495 20 0 GEADLO Cc1ccc(C[C@@H](C)NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000124398674 532121157 /nfs/dbraw/zinc/12/11/57/532121157.db2.gz FKTZJPYOWYUNDC-RDTXWAMCSA-N 1 2 383.583 2.495 20 0 GEADLO CC(C)c1ncc(Cl)c(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000124035598 532112835 /nfs/dbraw/zinc/11/28/35/532112835.db2.gz VJIKKOFQKJYYMD-KRWDZBQOSA-N 1 2 384.933 2.191 20 0 GEADLO CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000125545276 532138764 /nfs/dbraw/zinc/13/87/64/532138764.db2.gz ONVSAKLNIQDFCE-UHFFFAOYSA-N 1 2 377.447 2.077 20 0 GEADLO Cc1nc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)sc1Br ZINC000125540265 532138824 /nfs/dbraw/zinc/13/88/24/532138824.db2.gz LNQDCPHMIFCXOZ-VIFPVBQESA-N 1 2 382.349 2.224 20 0 GEADLO Cc1nc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)sc1Br ZINC000125540265 532138827 /nfs/dbraw/zinc/13/88/27/532138827.db2.gz LNQDCPHMIFCXOZ-VIFPVBQESA-N 1 2 382.349 2.224 20 0 GEADLO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[NH+](CCO)CC1 ZINC000124783994 532129678 /nfs/dbraw/zinc/12/96/78/532129678.db2.gz OQEBXRLKQPAQGA-LLVKDONJSA-N 1 2 391.693 2.006 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)C(=O)Nc1ccsc1 ZINC000125003010 532131791 /nfs/dbraw/zinc/13/17/91/532131791.db2.gz GMQKMPMULNDDGQ-UHFFFAOYSA-N 1 2 379.239 2.413 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000176569628 532142169 /nfs/dbraw/zinc/14/21/69/532142169.db2.gz SXLVBWJSBSZXMT-CYBMUJFWSA-N 1 2 378.416 2.064 20 0 GEADLO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)Nc1ccccc1Br ZINC000125783106 532142712 /nfs/dbraw/zinc/14/27/12/532142712.db2.gz SYIPXCOUAHRVHN-IUODEOHRSA-N 1 2 380.286 2.378 20 0 GEADLO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)Nc1ccccc1Br ZINC000125783106 532142715 /nfs/dbraw/zinc/14/27/15/532142715.db2.gz SYIPXCOUAHRVHN-IUODEOHRSA-N 1 2 380.286 2.378 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)s2)cs1 ZINC000125945857 532143703 /nfs/dbraw/zinc/14/37/03/532143703.db2.gz MPHOLXVALLPGCR-GXFFZTMASA-N 1 2 387.552 2.177 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)s2)cs1 ZINC000125945857 532143707 /nfs/dbraw/zinc/14/37/07/532143707.db2.gz MPHOLXVALLPGCR-GXFFZTMASA-N 1 2 387.552 2.177 20 0 GEADLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000126291803 532147105 /nfs/dbraw/zinc/14/71/05/532147105.db2.gz SVSRICGGJMWRPG-LLVKDONJSA-N 1 2 377.388 2.360 20 0 GEADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000126291803 532147107 /nfs/dbraw/zinc/14/71/07/532147107.db2.gz SVSRICGGJMWRPG-LLVKDONJSA-N 1 2 377.388 2.360 20 0 GEADLO CN(Cc1ccc(Br)cc1Cl)C[C@@H](O)C[NH+]1CCOCC1 ZINC000177354776 532168695 /nfs/dbraw/zinc/16/86/95/532168695.db2.gz ZLIFSNDNOWTKBV-CQSZACIVSA-N 1 2 377.710 2.227 20 0 GEADLO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000177428704 532170954 /nfs/dbraw/zinc/17/09/54/532170954.db2.gz KHYRBAUHYPGRCI-UHFFFAOYSA-N 1 2 377.242 2.448 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCc3c(cccc3NS(C)(=O)=O)C2)s1 ZINC000176972225 532157392 /nfs/dbraw/zinc/15/73/92/532157392.db2.gz PFSQLBKSBWJGNY-UHFFFAOYSA-N 1 2 380.491 2.465 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCc3c(cccc3NS(C)(=O)=O)C2)s1 ZINC000176972225 532157398 /nfs/dbraw/zinc/15/73/98/532157398.db2.gz PFSQLBKSBWJGNY-UHFFFAOYSA-N 1 2 380.491 2.465 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000129001295 532170982 /nfs/dbraw/zinc/17/09/82/532170982.db2.gz AETXEWYJYCWSKW-UHFFFAOYSA-N 1 2 394.686 2.376 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)S1 ZINC000177214272 532164689 /nfs/dbraw/zinc/16/46/89/532164689.db2.gz PJYKVSKQGQEOEG-NSHDSACASA-N 1 2 377.901 2.185 20 0 GEADLO COCC[N@H+](Cc1cc(F)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000177684443 532178745 /nfs/dbraw/zinc/17/87/45/532178745.db2.gz JDAKCYHCCZHCOG-AWEZNQCLSA-N 1 2 380.279 2.224 20 0 GEADLO COCC[N@@H+](Cc1cc(F)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000177684443 532178746 /nfs/dbraw/zinc/17/87/46/532178746.db2.gz JDAKCYHCCZHCOG-AWEZNQCLSA-N 1 2 380.279 2.224 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000177680018 532178758 /nfs/dbraw/zinc/17/87/58/532178758.db2.gz BHKSORDYFOUOAI-LBPRGKRZSA-N 1 2 384.293 2.373 20 0 GEADLO C[NH+]1CCC(Oc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cn2)CC1 ZINC000129536225 532180534 /nfs/dbraw/zinc/18/05/34/532180534.db2.gz WOLYOEATHHENMH-UHFFFAOYSA-N 1 2 382.873 2.404 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1c(F)c(F)cc(F)c1F ZINC000177755789 532182000 /nfs/dbraw/zinc/18/20/00/532182000.db2.gz ARXVHONGYUCIQR-INIZCTEOSA-N 1 2 378.391 2.181 20 0 GEADLO O=C1CC[N@H+](Cc2coc(-c3ccc(I)cc3)n2)CCN1 ZINC000131234434 532194977 /nfs/dbraw/zinc/19/49/77/532194977.db2.gz RNEGGPSIHIJVLW-UHFFFAOYSA-N 1 2 397.216 2.268 20 0 GEADLO O=C1CC[N@@H+](Cc2coc(-c3ccc(I)cc3)n2)CCN1 ZINC000131234434 532194981 /nfs/dbraw/zinc/19/49/81/532194981.db2.gz RNEGGPSIHIJVLW-UHFFFAOYSA-N 1 2 397.216 2.268 20 0 GEADLO CN(CC1CC1)C(=O)C[S@](=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000131345375 532197115 /nfs/dbraw/zinc/19/71/15/532197115.db2.gz REQHPKQIFOAQOM-QFIPXVFZSA-N 1 2 384.299 2.214 20 0 GEADLO Cn1ncc(Cl)c1C[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000131470422 532197454 /nfs/dbraw/zinc/19/74/54/532197454.db2.gz GPQSSQPISBSBCA-UHFFFAOYSA-N 1 2 382.295 2.165 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000177958811 532188113 /nfs/dbraw/zinc/18/81/13/532188113.db2.gz STZVYCRKPUAAOX-UHFFFAOYSA-N 1 2 391.299 2.177 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000177958811 532188118 /nfs/dbraw/zinc/18/81/18/532188118.db2.gz STZVYCRKPUAAOX-UHFFFAOYSA-N 1 2 391.299 2.177 20 0 GEADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc(Br)c(C(F)(F)F)c1 ZINC000178602288 532207351 /nfs/dbraw/zinc/20/73/51/532207351.db2.gz JILYBSYSTNQLRK-NSHDSACASA-N 1 2 392.219 2.198 20 0 GEADLO CCc1ccc(C[NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 ZINC000131990191 532207416 /nfs/dbraw/zinc/20/74/16/532207416.db2.gz HGSOMXSNPVIZQE-UHFFFAOYSA-N 1 2 379.448 2.200 20 0 GEADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000178685587 532210407 /nfs/dbraw/zinc/21/04/07/532210407.db2.gz MLVLHXZJBVZJAU-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000178855761 532214431 /nfs/dbraw/zinc/21/44/31/532214431.db2.gz KHUHGMPPSMOFDV-UHFFFAOYSA-N 1 2 375.226 2.307 20 0 GEADLO O=C(C[N@@H+]1CCOC[C@@H]1C1CC1)Nc1ccc(I)cc1 ZINC000132439071 532216029 /nfs/dbraw/zinc/21/60/29/532216029.db2.gz IPHGYPRWFHEWBU-CQSZACIVSA-N 1 2 386.233 2.341 20 0 GEADLO O=C(C[N@H+]1CCOC[C@@H]1C1CC1)Nc1ccc(I)cc1 ZINC000132439071 532216031 /nfs/dbraw/zinc/21/60/31/532216031.db2.gz IPHGYPRWFHEWBU-CQSZACIVSA-N 1 2 386.233 2.341 20 0 GEADLO CCN(C)S(=O)(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000133470688 532235238 /nfs/dbraw/zinc/23/52/38/532235238.db2.gz YEMSWGORLMAPDB-UHFFFAOYSA-N 1 2 390.347 2.200 20 0 GEADLO CNC(=O)c1cccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000179217308 532225299 /nfs/dbraw/zinc/22/52/99/532225299.db2.gz HINQDHHKPZARKT-HNNXBMFYSA-N 1 2 376.254 2.125 20 0 GEADLO CNC(=O)c1cccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000179217319 532225530 /nfs/dbraw/zinc/22/55/30/532225530.db2.gz HINQDHHKPZARKT-OAHLLOKOSA-N 1 2 376.254 2.125 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000133935673 532245587 /nfs/dbraw/zinc/24/55/87/532245587.db2.gz GEEVUHFHHHKYOV-KRWDZBQOSA-N 1 2 389.297 2.188 20 0 GEADLO CCC[N@H+](Cc1cnc2ccc(Br)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000179639060 532239549 /nfs/dbraw/zinc/23/95/49/532239549.db2.gz BNTSHGMAUXKCBQ-CYBMUJFWSA-N 1 2 386.315 2.496 20 0 GEADLO CCC[N@@H+](Cc1cnc2ccc(Br)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000179639060 532239552 /nfs/dbraw/zinc/23/95/52/532239552.db2.gz BNTSHGMAUXKCBQ-CYBMUJFWSA-N 1 2 386.315 2.496 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180176104 532259434 /nfs/dbraw/zinc/25/94/34/532259434.db2.gz ZNMWFJYARBNHID-LBPRGKRZSA-N 1 2 384.299 2.121 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180176104 532259437 /nfs/dbraw/zinc/25/94/37/532259437.db2.gz ZNMWFJYARBNHID-LBPRGKRZSA-N 1 2 384.299 2.121 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180176087 532259669 /nfs/dbraw/zinc/25/96/69/532259669.db2.gz ZNMWFJYARBNHID-GFCCVEGCSA-N 1 2 384.299 2.121 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180176087 532259674 /nfs/dbraw/zinc/25/96/74/532259674.db2.gz ZNMWFJYARBNHID-GFCCVEGCSA-N 1 2 384.299 2.121 20 0 GEADLO C[C@H](NC(=O)c1cc(Cl)cc(Br)c1O)[C@H]1C[N@H+](C)CCO1 ZINC000134970884 532264731 /nfs/dbraw/zinc/26/47/31/532264731.db2.gz YLDVSIKWNPHMMG-QPUJVOFHSA-N 1 2 377.666 2.257 20 0 GEADLO C[C@H](NC(=O)c1cc(Cl)cc(Br)c1O)[C@H]1C[N@@H+](C)CCO1 ZINC000134970884 532264733 /nfs/dbraw/zinc/26/47/33/532264733.db2.gz YLDVSIKWNPHMMG-QPUJVOFHSA-N 1 2 377.666 2.257 20 0 GEADLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)nn1-c1ccc(Cl)cc1Cl ZINC000180359551 532268394 /nfs/dbraw/zinc/26/83/94/532268394.db2.gz KRKRAGVBFZKQFB-UHFFFAOYSA-N 1 2 383.279 2.238 20 0 GEADLO NC(=O)[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1 ZINC000137202367 532289500 /nfs/dbraw/zinc/28/95/00/532289500.db2.gz VOLMKWSCKQAHMD-HNNXBMFYSA-N 1 2 380.217 2.343 20 0 GEADLO COC(=O)[C@@H]1C[N@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@@H](C)O1 ZINC000180668390 532277310 /nfs/dbraw/zinc/27/73/10/532277310.db2.gz KLXFGKYFVXACEG-BZNIZROVSA-N 1 2 382.254 2.487 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@@H](C)O1 ZINC000180668390 532277315 /nfs/dbraw/zinc/27/73/15/532277315.db2.gz KLXFGKYFVXACEG-BZNIZROVSA-N 1 2 382.254 2.487 20 0 GEADLO CCNC(=O)C1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000136418983 532284505 /nfs/dbraw/zinc/28/45/05/532284505.db2.gz QVRWGCDIOJQTAD-INIZCTEOSA-N 1 2 394.313 2.181 20 0 GEADLO COCC[N@H+](Cc1ccc(Br)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000181196985 532293039 /nfs/dbraw/zinc/29/30/39/532293039.db2.gz OEENCUUZZWWLDW-OAHLLOKOSA-N 1 2 376.316 2.393 20 0 GEADLO COCC[N@@H+](Cc1ccc(Br)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000181196985 532293045 /nfs/dbraw/zinc/29/30/45/532293045.db2.gz OEENCUUZZWWLDW-OAHLLOKOSA-N 1 2 376.316 2.393 20 0 GEADLO C[C@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CCN1S(C)(=O)=O ZINC000181576355 532302424 /nfs/dbraw/zinc/30/24/24/532302424.db2.gz IJVMMSPLLZWJEB-LBPRGKRZSA-N 1 2 398.326 2.463 20 0 GEADLO C[C@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)CCN1S(C)(=O)=O ZINC000181576355 532302429 /nfs/dbraw/zinc/30/24/29/532302429.db2.gz IJVMMSPLLZWJEB-LBPRGKRZSA-N 1 2 398.326 2.463 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000150975032 532305104 /nfs/dbraw/zinc/30/51/04/532305104.db2.gz DBFSWDHAQOXVJQ-JTQLQIEISA-N 1 2 376.404 2.279 20 0 GEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000150975032 532305108 /nfs/dbraw/zinc/30/51/08/532305108.db2.gz DBFSWDHAQOXVJQ-JTQLQIEISA-N 1 2 376.404 2.279 20 0 GEADLO CC[N@@H+]1CC[C@@H](NC(=O)CN2CSCC2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181095807 532290600 /nfs/dbraw/zinc/29/06/00/532290600.db2.gz XWUCDUIVFBVTIH-PBHICJAKSA-N 1 2 385.892 2.264 20 0 GEADLO CC[N@H+]1CC[C@@H](NC(=O)CN2CSCC2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181095807 532290605 /nfs/dbraw/zinc/29/06/05/532290605.db2.gz XWUCDUIVFBVTIH-PBHICJAKSA-N 1 2 385.892 2.264 20 0 GEADLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000182387077 532312591 /nfs/dbraw/zinc/31/25/91/532312591.db2.gz HOYRJOBQRWYXQC-ZFWWWQNUSA-N 1 2 375.918 2.286 20 0 GEADLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000182387077 532312593 /nfs/dbraw/zinc/31/25/93/532312593.db2.gz HOYRJOBQRWYXQC-ZFWWWQNUSA-N 1 2 375.918 2.286 20 0 GEADLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1nnnn1-c1ccccc1Br ZINC000182650513 532316189 /nfs/dbraw/zinc/31/61/89/532316189.db2.gz UXQVFBFTMSTNIU-LLVKDONJSA-N 1 2 382.262 2.198 20 0 GEADLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1nnnn1-c1ccccc1Br ZINC000182650513 532316190 /nfs/dbraw/zinc/31/61/90/532316190.db2.gz UXQVFBFTMSTNIU-LLVKDONJSA-N 1 2 382.262 2.198 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)cnc1Br ZINC000182704113 532316551 /nfs/dbraw/zinc/31/65/51/532316551.db2.gz PMBKMICAUBEHMR-UHFFFAOYSA-N 1 2 392.257 2.104 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(CCCn2cc[nH+]c2)CC1 ZINC000182666121 532316626 /nfs/dbraw/zinc/31/66/26/532316626.db2.gz DWHVQEGUYPXOJN-UHFFFAOYSA-N 1 2 386.880 2.072 20 0 GEADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)s1 ZINC000185033798 532336633 /nfs/dbraw/zinc/33/66/33/532336633.db2.gz PJTCMURHTDXZNT-HIFRSBDPSA-N 1 2 385.555 2.060 20 0 GEADLO Cc1ccc(CS(=O)(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)c(C)[nH+]1 ZINC000185201940 532337158 /nfs/dbraw/zinc/33/71/58/532337158.db2.gz LQNDRHMJWHQYIH-UHFFFAOYSA-N 1 2 382.507 2.064 20 0 GEADLO Cc1nc(N2CCN(C(=O)COc3cccc(Br)c3)CC2)cc[nH+]1 ZINC000185383485 532337810 /nfs/dbraw/zinc/33/78/10/532337810.db2.gz RIAPEMBCIDLEAP-UHFFFAOYSA-N 1 2 391.269 2.275 20 0 GEADLO CCN(CC)c1nc2sc(C(=O)N3CC[NH+](C[C@@H](C)O)CC3)cc2s1 ZINC000186809339 532341983 /nfs/dbraw/zinc/34/19/83/532341983.db2.gz ANRRREBFFPWEJR-GFCCVEGCSA-N 1 2 382.555 2.343 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186855968 532342214 /nfs/dbraw/zinc/34/22/14/532342214.db2.gz UXAXXUBQELHWFQ-RNCFNFMXSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186855968 532342215 /nfs/dbraw/zinc/34/22/15/532342215.db2.gz UXAXXUBQELHWFQ-RNCFNFMXSA-N 1 2 375.252 2.421 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC12CCS(=O)(=O)CC2)c1ccsc1 ZINC000186928359 532342687 /nfs/dbraw/zinc/34/26/87/532342687.db2.gz CDIJCGPHXSWWGL-HZPDHXFCSA-N 1 2 384.567 2.462 20 0 GEADLO Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3ccc(Br)o3)CC2)n1 ZINC000191341184 532360544 /nfs/dbraw/zinc/36/05/44/532360544.db2.gz ALFBTQQHZQZEDP-UHFFFAOYSA-N 1 2 391.273 2.349 20 0 GEADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000187960672 532346071 /nfs/dbraw/zinc/34/60/71/532346071.db2.gz KASHXVSPPOHRQW-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000188138995 532346926 /nfs/dbraw/zinc/34/69/26/532346926.db2.gz SRKRLSXRCRGZGQ-PWSUYJOCSA-N 1 2 386.290 2.000 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000189079319 532350836 /nfs/dbraw/zinc/35/08/36/532350836.db2.gz RYOJTJMSWWLBMD-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000189079319 532350837 /nfs/dbraw/zinc/35/08/37/532350837.db2.gz RYOJTJMSWWLBMD-VXGBXAGGSA-N 1 2 381.325 2.210 20 0 GEADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2ccsc2Cl)CC1 ZINC000189350074 532351736 /nfs/dbraw/zinc/35/17/36/532351736.db2.gz GVABNTZSIMSANU-UHFFFAOYSA-N 1 2 377.861 2.432 20 0 GEADLO CC[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)C[C@@H](O)C(F)(F)F ZINC000189480739 532352359 /nfs/dbraw/zinc/35/23/59/532352359.db2.gz URUHFQJAYBVNNP-GFCCVEGCSA-N 1 2 376.404 2.177 20 0 GEADLO CC[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)C[C@@H](O)C(F)(F)F ZINC000189480739 532352360 /nfs/dbraw/zinc/35/23/60/532352360.db2.gz URUHFQJAYBVNNP-GFCCVEGCSA-N 1 2 376.404 2.177 20 0 GEADLO Cn1ncc(Cl)c1C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000189645345 532353088 /nfs/dbraw/zinc/35/30/88/532353088.db2.gz RRFHTAVISSNCBL-UHFFFAOYSA-N 1 2 386.880 2.156 20 0 GEADLO C[C@H](c1nnnn1C)[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000189648529 532353123 /nfs/dbraw/zinc/35/31/23/532353123.db2.gz RYGUZOSSDYCGMZ-LLVKDONJSA-N 1 2 393.289 2.384 20 0 GEADLO Cc1cc(Br)ccc1SCC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189702953 532353266 /nfs/dbraw/zinc/35/32/66/532353266.db2.gz IOCAHPYXNLFVBT-ZDUSSCGKSA-N 1 2 387.343 2.375 20 0 GEADLO C[C@@H](NC(=O)C[NH+]1CCC(c2ccccc2Br)CC1)C(=O)N(C)C ZINC000189807134 532353684 /nfs/dbraw/zinc/35/36/84/532353684.db2.gz WTROCJOBAWXORS-CYBMUJFWSA-N 1 2 396.329 2.221 20 0 GEADLO CC(C)(O)C[N@H+](CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000189893453 532353953 /nfs/dbraw/zinc/35/39/53/532353953.db2.gz AIPSWCZRNZGCOZ-UHFFFAOYSA-N 1 2 376.316 2.458 20 0 GEADLO CC(C)(O)C[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000189893453 532353954 /nfs/dbraw/zinc/35/39/54/532353954.db2.gz AIPSWCZRNZGCOZ-UHFFFAOYSA-N 1 2 376.316 2.458 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc(C)c1Br ZINC000190423390 532356034 /nfs/dbraw/zinc/35/60/34/532356034.db2.gz YHGSCDGVZIRHAM-UHFFFAOYSA-N 1 2 380.286 2.311 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(F)cc(F)c1Br ZINC000190667137 532357425 /nfs/dbraw/zinc/35/74/25/532357425.db2.gz KPEYLHRXVVABNE-JTQLQIEISA-N 1 2 391.260 2.485 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000190731394 532357546 /nfs/dbraw/zinc/35/75/46/532357546.db2.gz LIGZCDBNXVVWLZ-HIFRSBDPSA-N 1 2 388.917 2.222 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(Cl)c(F)c1)[NH+]1CCN(C)CC1 ZINC000190873890 532358483 /nfs/dbraw/zinc/35/84/83/532358483.db2.gz JUYSQUOEYILDTI-QGZVFWFLSA-N 1 2 391.940 2.171 20 0 GEADLO O=S(=O)(c1cccnc1)N1CC[NH+](CCSCc2ccccc2)CC1 ZINC000191066029 532359400 /nfs/dbraw/zinc/35/94/00/532359400.db2.gz KZPYJCXFPXQGEE-UHFFFAOYSA-N 1 2 377.535 2.321 20 0 GEADLO C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H](C(N)=O)C1 ZINC000187440523 532344446 /nfs/dbraw/zinc/34/44/46/532344446.db2.gz MIEYXRHSPYWUHT-MFKMUULPSA-N 1 2 388.331 2.055 20 0 GEADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H](C(N)=O)C1 ZINC000187440523 532344447 /nfs/dbraw/zinc/34/44/47/532344447.db2.gz MIEYXRHSPYWUHT-MFKMUULPSA-N 1 2 388.331 2.055 20 0 GEADLO CCOc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc(Br)c1OC(F)F ZINC000187670098 532345172 /nfs/dbraw/zinc/34/51/72/532345172.db2.gz FPOWFRXLCMASFQ-QWRGUYRKSA-N 1 2 396.228 2.377 20 0 GEADLO CCOc1cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc(Br)c1OC(F)F ZINC000187670098 532345173 /nfs/dbraw/zinc/34/51/73/532345173.db2.gz FPOWFRXLCMASFQ-QWRGUYRKSA-N 1 2 396.228 2.377 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000425202788 532373737 /nfs/dbraw/zinc/37/37/37/532373737.db2.gz LENLIMGFWDGQTM-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO Cc1cc(F)c(Br)cc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000191941609 532374964 /nfs/dbraw/zinc/37/49/64/532374964.db2.gz LWVJINLBHPSPTI-UHFFFAOYSA-N 1 2 384.249 2.142 20 0 GEADLO Cc1cc(N2CCC[C@@H]([N@@H+](C)CC(=O)N(C)C)C2=O)ccc1Br ZINC000463487502 532375980 /nfs/dbraw/zinc/37/59/80/532375980.db2.gz XAWHOXICKWGJMQ-OAHLLOKOSA-N 1 2 382.302 2.273 20 0 GEADLO Cc1cc(N2CCC[C@@H]([N@H+](C)CC(=O)N(C)C)C2=O)ccc1Br ZINC000463487502 532375985 /nfs/dbraw/zinc/37/59/85/532375985.db2.gz XAWHOXICKWGJMQ-OAHLLOKOSA-N 1 2 382.302 2.273 20 0 GEADLO COCc1ccccc1CS(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000557839820 532376107 /nfs/dbraw/zinc/37/61/07/532376107.db2.gz NYZTUXGZLBHTEN-UHFFFAOYSA-N 1 2 377.388 2.211 20 0 GEADLO COC(=O)Cn1cc(C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000294717729 532377261 /nfs/dbraw/zinc/37/72/61/532377261.db2.gz FWLOCUFHNSFVMV-UHFFFAOYSA-N 1 2 387.267 2.143 20 0 GEADLO COC(=O)Cn1cc(C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000294717729 532377267 /nfs/dbraw/zinc/37/72/67/532377267.db2.gz FWLOCUFHNSFVMV-UHFFFAOYSA-N 1 2 387.267 2.143 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2c(F)cccc2Br)C1 ZINC000278401791 532377874 /nfs/dbraw/zinc/37/78/74/532377874.db2.gz WQHWOEYSMUPIEI-QWHCGFSZSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000278401791 532377878 /nfs/dbraw/zinc/37/78/78/532377878.db2.gz WQHWOEYSMUPIEI-QWHCGFSZSA-N 1 2 376.266 2.434 20 0 GEADLO C[C@@H]1C[N@H+](CCSc2nnnn2-c2ccc(Br)cc2)CCO1 ZINC000191569824 532361410 /nfs/dbraw/zinc/36/14/10/532361410.db2.gz ZTZIWURJQPKGQS-LLVKDONJSA-N 1 2 384.303 2.238 20 0 GEADLO C[C@@H]1C[N@@H+](CCSc2nnnn2-c2ccc(Br)cc2)CCO1 ZINC000191569824 532361411 /nfs/dbraw/zinc/36/14/11/532361411.db2.gz ZTZIWURJQPKGQS-LLVKDONJSA-N 1 2 384.303 2.238 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)cc(N(C)C)c1 ZINC000294469805 532362250 /nfs/dbraw/zinc/36/22/50/532362250.db2.gz ZKLMNJXJMPGYBM-CYBMUJFWSA-N 1 2 384.318 2.308 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c(Br)c1 ZINC000516085803 532378398 /nfs/dbraw/zinc/37/83/98/532378398.db2.gz OXCGHIGOHHHNCC-UHFFFAOYSA-N 1 2 379.258 2.489 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(OC)ccc2Br)C[C@H]1C ZINC000677152396 532365907 /nfs/dbraw/zinc/36/59/07/532365907.db2.gz PEPMNQVUQBSOBM-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(OC)ccc2Br)C[C@H]1C ZINC000677152396 532365912 /nfs/dbraw/zinc/36/59/12/532365912.db2.gz PEPMNQVUQBSOBM-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2cc[nH+]c(C)c2Cl)c1 ZINC000589976734 532366681 /nfs/dbraw/zinc/36/66/81/532366681.db2.gz ZCTFBUXHRBLYBC-UHFFFAOYSA-N 1 2 384.841 2.199 20 0 GEADLO O=C1C[C@H](c2nc(-c3ccc(Cl)s3)no2)CN1CC[NH+]1CCOCC1 ZINC000277939548 532367563 /nfs/dbraw/zinc/36/75/63/532367563.db2.gz PJAURPYSNQUCBV-NSHDSACASA-N 1 2 382.873 2.100 20 0 GEADLO Cc1c(Br)cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c(=O)n1C ZINC000277960446 532367825 /nfs/dbraw/zinc/36/78/25/532367825.db2.gz HCEFXFZUTWAOKY-UHFFFAOYSA-N 1 2 397.298 2.153 20 0 GEADLO Cc1c(Br)cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c(=O)n1C ZINC000277960446 532367833 /nfs/dbraw/zinc/36/78/33/532367833.db2.gz HCEFXFZUTWAOKY-UHFFFAOYSA-N 1 2 397.298 2.153 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]34CCC(=O)N3CCS4)n2)C1 ZINC000557559934 532368706 /nfs/dbraw/zinc/36/87/06/532368706.db2.gz ZDBPZXZGVNQRRY-YVEFUNNKSA-N 1 2 380.539 2.379 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]34CCC(=O)N3CCS4)n2)C1 ZINC000557559934 532368709 /nfs/dbraw/zinc/36/87/09/532368709.db2.gz ZDBPZXZGVNQRRY-YVEFUNNKSA-N 1 2 380.539 2.379 20 0 GEADLO C[C@H](Nc1cc[nH+]c2c(Cl)cccc12)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000557572662 532369213 /nfs/dbraw/zinc/36/92/13/532369213.db2.gz XHXJEPGTCSSCNP-NWDGAFQWSA-N 1 2 381.885 2.240 20 0 GEADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)C[C@H]3CSCCS3)CC2)no1 ZINC000372534026 532395254 /nfs/dbraw/zinc/39/52/54/532395254.db2.gz UZFUBLKFROIDMQ-CABCVRRESA-N 1 2 384.571 2.430 20 0 GEADLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)C[C@H]3CSCCS3)CC2)no1 ZINC000372534026 532395257 /nfs/dbraw/zinc/39/52/57/532395257.db2.gz UZFUBLKFROIDMQ-CABCVRRESA-N 1 2 384.571 2.430 20 0 GEADLO Cc1sc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1CS(C)(=O)=O ZINC000558025142 532380814 /nfs/dbraw/zinc/38/08/14/532380814.db2.gz NYDCOCFYYYVBOK-WOSRLPQWSA-N 1 2 384.567 2.403 20 0 GEADLO Cc1sc(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1CS(C)(=O)=O ZINC000558025142 532380821 /nfs/dbraw/zinc/38/08/21/532380821.db2.gz NYDCOCFYYYVBOK-WOSRLPQWSA-N 1 2 384.567 2.403 20 0 GEADLO C[N@H+](CC[C@H]1CCS(=O)(=O)C1)CC(=O)Nc1ccccc1Br ZINC000677676676 532381470 /nfs/dbraw/zinc/38/14/70/532381470.db2.gz SFDPMPIKIFBQQX-LBPRGKRZSA-N 1 2 389.315 2.144 20 0 GEADLO C[N@@H+](CC[C@H]1CCS(=O)(=O)C1)CC(=O)Nc1ccccc1Br ZINC000677676676 532381474 /nfs/dbraw/zinc/38/14/74/532381474.db2.gz SFDPMPIKIFBQQX-LBPRGKRZSA-N 1 2 389.315 2.144 20 0 GEADLO Cc1c(Br)cccc1C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000463780416 532382089 /nfs/dbraw/zinc/38/20/89/532382089.db2.gz CCRVWBXHSRQSBN-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)CC1(OC)CCCC1)[NH+]1CCOCC1 ZINC000647895556 532383076 /nfs/dbraw/zinc/38/30/76/532383076.db2.gz YWWDESIYHVOXGN-KRWDZBQOSA-N 1 2 376.563 2.002 20 0 GEADLO O=C(c1cc(Br)c(F)cc1O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000294815497 532383632 /nfs/dbraw/zinc/38/36/32/532383632.db2.gz CJHPSHDWMDBNKW-LLVKDONJSA-N 1 2 387.249 2.231 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2Cl)CC[N@@H+]1CCOC ZINC000558064277 532383970 /nfs/dbraw/zinc/38/39/70/532383970.db2.gz LXULTJXFCNIURR-ZDUSSCGKSA-N 1 2 376.906 2.080 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2Cl)CC[N@H+]1CCOC ZINC000558064277 532383973 /nfs/dbraw/zinc/38/39/73/532383973.db2.gz LXULTJXFCNIURR-ZDUSSCGKSA-N 1 2 376.906 2.080 20 0 GEADLO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)s2)cc1 ZINC000425404205 532384359 /nfs/dbraw/zinc/38/43/59/532384359.db2.gz LAWPTDBSBRAEFS-MRXNPFEDSA-N 1 2 384.523 2.172 20 0 GEADLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)s2)cc1 ZINC000425404205 532384364 /nfs/dbraw/zinc/38/43/64/532384364.db2.gz LAWPTDBSBRAEFS-MRXNPFEDSA-N 1 2 384.523 2.172 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CC=C(c2ccccc2Cl)CC1 ZINC000463860666 532384753 /nfs/dbraw/zinc/38/47/53/532384753.db2.gz ZEJPPUIJOGZPGP-UHFFFAOYSA-N 1 2 384.929 2.481 20 0 GEADLO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000192087763 532386092 /nfs/dbraw/zinc/38/60/92/532386092.db2.gz XDLOOPMYRIADBZ-GFCCVEGCSA-N 1 2 376.258 2.485 20 0 GEADLO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000192087763 532386094 /nfs/dbraw/zinc/38/60/94/532386094.db2.gz XDLOOPMYRIADBZ-GFCCVEGCSA-N 1 2 376.258 2.485 20 0 GEADLO Cn1cc(NC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)nn1 ZINC000463948897 532386508 /nfs/dbraw/zinc/38/65/08/532386508.db2.gz XVNQVKYKHAUSIH-UHFFFAOYSA-N 1 2 394.233 2.101 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000516472978 532386543 /nfs/dbraw/zinc/38/65/43/532386543.db2.gz GBWUUBQWEOQSRY-UHFFFAOYSA-N 1 2 379.258 2.489 20 0 GEADLO COc1ccc([C@@H](C)NC(=O)NC[C@H]2COCC[N@@H+]2C)cc1Br ZINC000623353499 532387601 /nfs/dbraw/zinc/38/76/01/532387601.db2.gz NSNAXUQPNCQKGI-YPMHNXCESA-N 1 2 386.290 2.149 20 0 GEADLO COc1ccc([C@@H](C)NC(=O)NC[C@H]2COCC[N@H+]2C)cc1Br ZINC000623353499 532387607 /nfs/dbraw/zinc/38/76/07/532387607.db2.gz NSNAXUQPNCQKGI-YPMHNXCESA-N 1 2 386.290 2.149 20 0 GEADLO C[C@H](CC(=O)N1CC[NH+](Cc2ccccn2)CC1)n1cc(Br)cn1 ZINC000648226725 532388014 /nfs/dbraw/zinc/38/80/14/532388014.db2.gz XJKOIMUBHCUHBH-CQSZACIVSA-N 1 2 392.301 2.336 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000590820993 532388300 /nfs/dbraw/zinc/38/83/00/532388300.db2.gz XZMVZXHQURZDCN-UHFFFAOYSA-N 1 2 378.458 3.025 20 0 GEADLO CSc1ccc([C@@H](CNC(=O)C[C@@H]2CCCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC000294891992 532388769 /nfs/dbraw/zinc/38/87/69/532388769.db2.gz PKMZMHQZGJAPGZ-WMLDXEAASA-N 1 2 384.567 2.342 20 0 GEADLO C[C@@H]1C[C@H]([NH2+]Cc2ncc(Br)cc2F)C(=O)N1c1cnn(C)c1 ZINC000623436519 532389108 /nfs/dbraw/zinc/38/91/08/532389108.db2.gz VTGVYPRDZJJHCR-RNCFNFMXSA-N 1 2 382.237 2.000 20 0 GEADLO CS(=O)(=O)Nc1cccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000678266619 532392005 /nfs/dbraw/zinc/39/20/05/532392005.db2.gz IQKIJHAMNIQSFE-UHFFFAOYSA-N 1 2 383.411 2.076 20 0 GEADLO C[N@@H+]1CC[C@@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279251807 532392171 /nfs/dbraw/zinc/39/21/71/532392171.db2.gz ADRHWEQYQOSSCT-WFASDCNBSA-N 1 2 388.892 2.165 20 0 GEADLO C[N@H+]1CC[C@@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279251807 532392178 /nfs/dbraw/zinc/39/21/78/532392178.db2.gz ADRHWEQYQOSSCT-WFASDCNBSA-N 1 2 388.892 2.165 20 0 GEADLO Cn1nc(Br)cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000192188006 532393509 /nfs/dbraw/zinc/39/35/09/532393509.db2.gz FTEOTHIRNHHBAB-UHFFFAOYSA-N 1 2 378.274 2.498 20 0 GEADLO C[C@@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)c1cc(F)c(Br)cc1F ZINC000624548260 532397859 /nfs/dbraw/zinc/39/78/59/532397859.db2.gz JIBPHBYDONPOAK-ZJUUUORDSA-N 1 2 392.244 2.418 20 0 GEADLO C[C@@H](NC(=O)NC[C@H]1COCC[N@H+]1C)c1cc(F)c(Br)cc1F ZINC000624548260 532397862 /nfs/dbraw/zinc/39/78/62/532397862.db2.gz JIBPHBYDONPOAK-ZJUUUORDSA-N 1 2 392.244 2.418 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3CCCCC(=O)N3)[nH+]c12 ZINC000279626287 532397006 /nfs/dbraw/zinc/39/70/06/532397006.db2.gz BHTFAPNKSNPWAV-CQSZACIVSA-N 1 2 393.285 2.123 20 0 GEADLO C[C@@H](COC1CCCC1)CS(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000559068479 532400413 /nfs/dbraw/zinc/40/04/13/532400413.db2.gz AVYHZNDJZOKKFY-LBPRGKRZSA-N 1 2 383.436 2.460 20 0 GEADLO O=C([C@H]1CCc2cc(Br)ccc21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000648822113 532403172 /nfs/dbraw/zinc/40/31/72/532403172.db2.gz KYHYXFYHPHTDLP-WBVHZDCISA-N 1 2 379.298 2.412 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000426041433 532402273 /nfs/dbraw/zinc/40/22/73/532402273.db2.gz FGJCEDHCDNGVEO-UHFFFAOYSA-N 1 2 387.311 2.127 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000679424718 532404101 /nfs/dbraw/zinc/40/41/01/532404101.db2.gz KSDMXDJSDIBIDY-INIZCTEOSA-N 1 2 382.917 2.098 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000679424718 532404104 /nfs/dbraw/zinc/40/41/04/532404104.db2.gz KSDMXDJSDIBIDY-INIZCTEOSA-N 1 2 382.917 2.098 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)c(Br)c1 ZINC000464791658 532404187 /nfs/dbraw/zinc/40/41/87/532404187.db2.gz FQIFYJGOSSAJCQ-KRWDZBQOSA-N 1 2 380.286 2.298 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)c(Br)c1 ZINC000464791658 532404196 /nfs/dbraw/zinc/40/41/96/532404196.db2.gz FQIFYJGOSSAJCQ-KRWDZBQOSA-N 1 2 380.286 2.298 20 0 GEADLO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000464767657 532405587 /nfs/dbraw/zinc/40/55/87/532405587.db2.gz AAAXBNRRJNNJRB-HOTGVXAUSA-N 1 2 384.567 2.312 20 0 GEADLO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000464767657 532405591 /nfs/dbraw/zinc/40/55/91/532405591.db2.gz AAAXBNRRJNNJRB-HOTGVXAUSA-N 1 2 384.567 2.312 20 0 GEADLO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000679473097 532405602 /nfs/dbraw/zinc/40/56/02/532405602.db2.gz OYYMXZYIOHLSGZ-HUUCEWRRSA-N 1 2 379.309 2.213 20 0 GEADLO CCSCC[C@@H](C)[N@H+](C)CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000464852523 532407148 /nfs/dbraw/zinc/40/71/48/532407148.db2.gz OEJNHURSCAYMPM-HZPDHXFCSA-N 1 2 378.604 2.122 20 0 GEADLO CCSCC[C@@H](C)[N@@H+](C)CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000464852523 532407154 /nfs/dbraw/zinc/40/71/54/532407154.db2.gz OEJNHURSCAYMPM-HZPDHXFCSA-N 1 2 378.604 2.122 20 0 GEADLO C[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccc(Br)cn1 ZINC000280062173 532407320 /nfs/dbraw/zinc/40/73/20/532407320.db2.gz YMWCHKMCZDUPEK-GFCCVEGCSA-N 1 2 383.290 2.069 20 0 GEADLO Cc1nc(N)c(CNC(=O)C2(c3cc(F)cc(Br)c3)CC2)c[nH+]1 ZINC000648902199 532407914 /nfs/dbraw/zinc/40/79/14/532407914.db2.gz IJIYHENJDLZRNB-UHFFFAOYSA-N 1 2 379.233 2.617 20 0 GEADLO Cc1c(Br)cccc1S(=O)(=O)Nc1ccnn1CC[NH+](C)C ZINC000295146566 532409126 /nfs/dbraw/zinc/40/91/26/532409126.db2.gz AWPNRTCGCHBEPV-UHFFFAOYSA-N 1 2 387.303 2.316 20 0 GEADLO CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427039955 532409539 /nfs/dbraw/zinc/40/95/39/532409539.db2.gz CYEKHEZDERIUEZ-CYBMUJFWSA-N 1 2 391.269 2.278 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000560039399 532409860 /nfs/dbraw/zinc/40/98/60/532409860.db2.gz VGEVWZCTPXNLPL-CQSZACIVSA-N 1 2 376.881 2.355 20 0 GEADLO C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[NH2+][C@@H](c3ccccc3Cl)C1)CS2 ZINC000648894347 532408396 /nfs/dbraw/zinc/40/83/96/532408396.db2.gz YBQNJFPULIHDCS-RKVPGOIHSA-N 1 2 379.913 2.267 20 0 GEADLO CCOC1CC(CNC(=O)c2cc(Cl)c(Cl)[nH]2)([NH+]2CCOCC2)C1 ZINC000192798144 532411277 /nfs/dbraw/zinc/41/12/77/532411277.db2.gz PYJWGXLXAQQVIT-UHFFFAOYSA-N 1 2 376.284 2.321 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625129709 532410603 /nfs/dbraw/zinc/41/06/03/532410603.db2.gz OERSTFKYSSZCEW-UHFFFAOYSA-N 1 2 397.313 2.403 20 0 GEADLO COC(=O)Cn1ncc(NCc2c[nH+]c3ccc(Br)cn23)c1C ZINC000192988419 532414440 /nfs/dbraw/zinc/41/44/40/532414440.db2.gz YMDHIGDZVCKHSE-UHFFFAOYSA-N 1 2 378.230 2.387 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000591583701 532415044 /nfs/dbraw/zinc/41/50/44/532415044.db2.gz IGNZZFZQVOVELE-CYBMUJFWSA-N 1 2 382.302 2.458 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000591583701 532415047 /nfs/dbraw/zinc/41/50/47/532415047.db2.gz IGNZZFZQVOVELE-CYBMUJFWSA-N 1 2 382.302 2.458 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000193013458 532417203 /nfs/dbraw/zinc/41/72/03/532417203.db2.gz QDTHUMVSNJJBNC-UHFFFAOYSA-N 1 2 375.230 2.383 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000193013458 532417208 /nfs/dbraw/zinc/41/72/08/532417208.db2.gz QDTHUMVSNJJBNC-UHFFFAOYSA-N 1 2 375.230 2.383 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccncc2Br)CC1 ZINC000625241050 532418392 /nfs/dbraw/zinc/41/83/92/532418392.db2.gz AIFJVTLBVIHCEK-UHFFFAOYSA-N 1 2 376.320 2.090 20 0 GEADLO Cc1ccc([C@@H]([NH2+]CC(=O)N(C)c2nccs2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280956729 532419464 /nfs/dbraw/zinc/41/94/64/532419464.db2.gz YFGVOEPUEYBHAV-CJNGLKHVSA-N 1 2 381.523 2.178 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCc4c[nH]nc4C3)[nH+]c12 ZINC000680614037 532419776 /nfs/dbraw/zinc/41/97/76/532419776.db2.gz JPUNGSUSMRVETN-UHFFFAOYSA-N 1 2 389.257 2.396 20 0 GEADLO O=C(NCCc1ccccc1Br)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000465822677 532419800 /nfs/dbraw/zinc/41/98/00/532419800.db2.gz ZJJMSZKQHNOYIV-MRXNPFEDSA-N 1 2 396.329 2.498 20 0 GEADLO O=C(NCCn1cc(Br)ccc1=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000560526660 532420412 /nfs/dbraw/zinc/42/04/12/532420412.db2.gz NTQSDTBWYNFGNA-CYBMUJFWSA-N 1 2 394.273 2.271 20 0 GEADLO CCNC(=O)C[N@H+](C)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000680961150 532420415 /nfs/dbraw/zinc/42/04/15/532420415.db2.gz FLOSMPPVNZHPKL-OAHLLOKOSA-N 1 2 382.302 2.321 20 0 GEADLO CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000680961150 532420419 /nfs/dbraw/zinc/42/04/19/532420419.db2.gz FLOSMPPVNZHPKL-OAHLLOKOSA-N 1 2 382.302 2.321 20 0 GEADLO O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1CCCCC[NH2+]1 ZINC000372930923 532420554 /nfs/dbraw/zinc/42/05/54/532420554.db2.gz VAYXIJVYPLHAJN-AWEZNQCLSA-N 1 2 380.495 2.415 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000591758495 532422322 /nfs/dbraw/zinc/42/23/22/532422322.db2.gz OWHSKOLRLCGQJQ-VIFPVBQESA-N 1 2 394.686 2.422 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000591758495 532422326 /nfs/dbraw/zinc/42/23/26/532422326.db2.gz OWHSKOLRLCGQJQ-VIFPVBQESA-N 1 2 394.686 2.422 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCc2cc(Br)ccc21 ZINC000517743906 532425073 /nfs/dbraw/zinc/42/50/73/532425073.db2.gz DFYMDQCKIPTNLU-HLLBOEOZSA-N 1 2 379.298 2.458 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCc2cc(Br)ccc21 ZINC000517743906 532425079 /nfs/dbraw/zinc/42/50/79/532425079.db2.gz DFYMDQCKIPTNLU-HLLBOEOZSA-N 1 2 379.298 2.458 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)c1 ZINC000295256114 532426231 /nfs/dbraw/zinc/42/62/31/532426231.db2.gz XLMXERJNTHGAFW-UHFFFAOYSA-N 1 2 384.889 2.492 20 0 GEADLO O=C1NC[C@@]2(CCC[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)O1 ZINC000373028138 532427252 /nfs/dbraw/zinc/42/72/52/532427252.db2.gz KXDLKNADNUNTNQ-WMLDXEAASA-N 1 2 394.269 2.129 20 0 GEADLO O=C1NC[C@@]2(CCC[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)O1 ZINC000373028138 532427256 /nfs/dbraw/zinc/42/72/56/532427256.db2.gz KXDLKNADNUNTNQ-WMLDXEAASA-N 1 2 394.269 2.129 20 0 GEADLO O=C([C@@H]1CC[C@@H](O)C1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561046298 532427502 /nfs/dbraw/zinc/42/75/02/532427502.db2.gz LAYJHRRLALCFIB-CHWSQXEVSA-N 1 2 382.258 2.428 20 0 GEADLO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000427622344 532429107 /nfs/dbraw/zinc/42/91/07/532429107.db2.gz RAUVXSZMOQLTQN-IUODEOHRSA-N 1 2 379.507 2.277 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)CCn1cc(Br)ccc1=O)C1CC1 ZINC000561114358 532430860 /nfs/dbraw/zinc/43/08/60/532430860.db2.gz RHJQSOBYTRTIPB-HNNXBMFYSA-N 1 2 379.258 2.002 20 0 GEADLO Cc1cn2c([nH+]1)CN(S(=O)(=O)Cc1ccc(Br)c(F)c1)CC2 ZINC000649909043 532430942 /nfs/dbraw/zinc/43/09/42/532430942.db2.gz PHMJNYIKKFSAEM-UHFFFAOYSA-N 1 2 388.262 2.439 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(SC)c(Cl)c2)CCO1 ZINC000427889390 532436405 /nfs/dbraw/zinc/43/64/05/532436405.db2.gz GQTNOSGWQADYSB-ZDUSSCGKSA-N 1 2 385.917 2.227 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(SC)c(Cl)c2)CCO1 ZINC000427889390 532436413 /nfs/dbraw/zinc/43/64/13/532436413.db2.gz GQTNOSGWQADYSB-ZDUSSCGKSA-N 1 2 385.917 2.227 20 0 GEADLO Cn1cc(Cl)c(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000626165139 532436420 /nfs/dbraw/zinc/43/64/20/532436420.db2.gz FQIUBYBBILMWES-UHFFFAOYSA-N 1 2 382.295 2.279 20 0 GEADLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(Cl)c3nonc32)CC1(C)C ZINC000295329066 532433793 /nfs/dbraw/zinc/43/37/93/532433793.db2.gz QBXNIXXGVFGNKC-CYBMUJFWSA-N 1 2 381.845 2.382 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000681626016 532434485 /nfs/dbraw/zinc/43/44/85/532434485.db2.gz ICSKFCHLPHCBND-CYBMUJFWSA-N 1 2 398.301 2.098 20 0 GEADLO O=C(COc1cccc(I)c1)NCCCn1cc[nH+]c1 ZINC000193887556 532434759 /nfs/dbraw/zinc/43/47/59/532434759.db2.gz NQLLEHMXCBZELA-UHFFFAOYSA-N 1 2 385.205 2.073 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 ZINC000373152205 532435153 /nfs/dbraw/zinc/43/51/53/532435153.db2.gz OXPZYMCVTRIVSP-HOTGVXAUSA-N 1 2 388.265 2.371 20 0 GEADLO C[C@](O)(C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1)C(F)(F)F ZINC000282063663 532441458 /nfs/dbraw/zinc/44/14/58/532441458.db2.gz SITMWVHPSBJRJY-AWEZNQCLSA-N 1 2 376.404 2.229 20 0 GEADLO Cc1ccc(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)c(=O)[nH]1 ZINC000518325803 532438527 /nfs/dbraw/zinc/43/85/27/532438527.db2.gz YCURCNAUOHISQG-UHFFFAOYSA-N 1 2 393.241 2.342 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc(I)ccc1F ZINC000427994635 532439554 /nfs/dbraw/zinc/43/95/54/532439554.db2.gz SUKBWIVMXOPONX-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO COc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(I)c1 ZINC000428002662 532439641 /nfs/dbraw/zinc/43/96/41/532439641.db2.gz YXUPZCXEFRBPLR-JTQLQIEISA-N 1 2 397.216 2.241 20 0 GEADLO Cc1cc(CS(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)on1 ZINC000561443470 532439695 /nfs/dbraw/zinc/43/96/95/532439695.db2.gz RGYIGHXIJNDPNP-MRXNPFEDSA-N 1 2 381.523 2.020 20 0 GEADLO Cc1cc(CS(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)on1 ZINC000561443470 532439699 /nfs/dbraw/zinc/43/96/99/532439699.db2.gz RGYIGHXIJNDPNP-MRXNPFEDSA-N 1 2 381.523 2.020 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000518583576 532443334 /nfs/dbraw/zinc/44/33/34/532443334.db2.gz OWRIGVJLZXEAJE-CQSZACIVSA-N 1 2 384.889 2.294 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000518583576 532443339 /nfs/dbraw/zinc/44/33/39/532443339.db2.gz OWRIGVJLZXEAJE-CQSZACIVSA-N 1 2 384.889 2.294 20 0 GEADLO Cn1nc([C@H]2CCC[N@@H+]2C[C@H](O)COc2cc(Cl)ccc2Cl)nc1N ZINC000295426407 532445266 /nfs/dbraw/zinc/44/52/66/532445266.db2.gz UOSSYRLSWQRCKX-WCQYABFASA-N 1 2 386.283 2.281 20 0 GEADLO Cn1nc([C@H]2CCC[N@H+]2C[C@H](O)COc2cc(Cl)ccc2Cl)nc1N ZINC000295426407 532445272 /nfs/dbraw/zinc/44/52/72/532445272.db2.gz UOSSYRLSWQRCKX-WCQYABFASA-N 1 2 386.283 2.281 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)Cc1cccc(I)c1)CC2 ZINC000373299145 532441909 /nfs/dbraw/zinc/44/19/09/532441909.db2.gz DHTGAOCZQPETJF-UHFFFAOYSA-N 1 2 381.217 2.381 20 0 GEADLO CCSCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000561687903 532447804 /nfs/dbraw/zinc/44/78/04/532447804.db2.gz ZTIBPHSKAZFOCV-HOTGVXAUSA-N 1 2 383.945 2.461 20 0 GEADLO CCSCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000561687903 532447810 /nfs/dbraw/zinc/44/78/10/532447810.db2.gz ZTIBPHSKAZFOCV-HOTGVXAUSA-N 1 2 383.945 2.461 20 0 GEADLO O[C@H](CN1CCc2cc(Br)c(Cl)cc21)C[NH+]1CCOCC1 ZINC000682538786 532448076 /nfs/dbraw/zinc/44/80/76/532448076.db2.gz HLWUHZDPUSZFOU-LBPRGKRZSA-N 1 2 375.694 2.158 20 0 GEADLO CC[C@@](C)([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C(=O)OC ZINC000428305226 532449094 /nfs/dbraw/zinc/44/90/94/532449094.db2.gz ZTFDVBXMCXTKJA-IUODEOHRSA-N 1 2 378.238 2.259 20 0 GEADLO CCN(C)S(=O)(=O)c1c(C)nn(Cc2cn3cc(Cl)ccc3[nH+]2)c1C ZINC000194286600 532446242 /nfs/dbraw/zinc/44/62/42/532446242.db2.gz OBJLGBFCZGIQSO-UHFFFAOYSA-N 1 2 381.889 2.490 20 0 GEADLO Cc1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)c(C)c1Br ZINC000682902901 532451543 /nfs/dbraw/zinc/45/15/43/532451543.db2.gz CHZKTOCQZVYZNX-UHFFFAOYSA-N 1 2 392.301 2.115 20 0 GEADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)n1 ZINC000561788532 532451684 /nfs/dbraw/zinc/45/16/84/532451684.db2.gz ZKCAYLMKEBDJNS-STQMWFEESA-N 1 2 388.559 2.178 20 0 GEADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)n1 ZINC000561788532 532451691 /nfs/dbraw/zinc/45/16/91/532451691.db2.gz ZKCAYLMKEBDJNS-STQMWFEESA-N 1 2 388.559 2.178 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1([S@](C)=O)CC1)c1ccc(Cl)cc1 ZINC000282322324 532457313 /nfs/dbraw/zinc/45/73/13/532457313.db2.gz SLEZSYIPGQCOCS-SXBQZSJRSA-N 1 2 380.901 2.373 20 0 GEADLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000295504511 532453651 /nfs/dbraw/zinc/45/36/51/532453651.db2.gz HLYAEGZHMNPKSO-VWLOTQADSA-N 1 2 378.416 2.377 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cnc2ccsc2c1)C(C)(C)CO ZINC000295498949 532453836 /nfs/dbraw/zinc/45/38/36/532453836.db2.gz BJYAZWKELPIWBI-AWEZNQCLSA-N 1 2 380.495 2.068 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000373600942 532460268 /nfs/dbraw/zinc/46/02/68/532460268.db2.gz IJRQCJKDYZQUOQ-UHFFFAOYSA-N 1 2 397.317 2.352 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000373600942 532460276 /nfs/dbraw/zinc/46/02/76/532460276.db2.gz IJRQCJKDYZQUOQ-UHFFFAOYSA-N 1 2 397.317 2.352 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000519332617 532460490 /nfs/dbraw/zinc/46/04/90/532460490.db2.gz NQLHPBVLBHVNLR-HNNXBMFYSA-N 1 2 392.301 2.303 20 0 GEADLO Cc1nc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)sc1C(F)(F)F ZINC000562288840 532460828 /nfs/dbraw/zinc/46/08/28/532460828.db2.gz XUJYTHUPAUSAHB-UHFFFAOYSA-N 1 2 375.376 2.154 20 0 GEADLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000428833513 532463722 /nfs/dbraw/zinc/46/37/22/532463722.db2.gz IXWQAZAKFYHYJF-ZIAGYGMSSA-N 1 2 384.464 2.077 20 0 GEADLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000428833513 532463729 /nfs/dbraw/zinc/46/37/29/532463729.db2.gz IXWQAZAKFYHYJF-ZIAGYGMSSA-N 1 2 384.464 2.077 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000562376475 532463992 /nfs/dbraw/zinc/46/39/92/532463992.db2.gz LLSSUYIDTMPLNB-MRXNPFEDSA-N 1 2 381.523 2.187 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000562376475 532463996 /nfs/dbraw/zinc/46/39/96/532463996.db2.gz LLSSUYIDTMPLNB-MRXNPFEDSA-N 1 2 381.523 2.187 20 0 GEADLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(Br)cc1OCCCO ZINC000562377897 532464153 /nfs/dbraw/zinc/46/41/53/532464153.db2.gz HURUVMSOEMDZND-GFCCVEGCSA-N 1 2 396.285 2.364 20 0 GEADLO CO[C@@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1)C(F)(F)F ZINC000651327989 532464873 /nfs/dbraw/zinc/46/48/73/532464873.db2.gz NVJLPWDMNWMXBD-JSGCOSHPSA-N 1 2 379.448 2.120 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Cc2cccc(C)c2Br)CC1 ZINC000628011118 532463003 /nfs/dbraw/zinc/46/30/03/532463003.db2.gz QNPNOWUOEYAXEE-UHFFFAOYSA-N 1 2 399.329 2.107 20 0 GEADLO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ncc(Br)cn1 ZINC000519576826 532469945 /nfs/dbraw/zinc/46/99/45/532469945.db2.gz MDLWKIUCULNTNT-LBPRGKRZSA-N 1 2 391.273 2.227 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000562704834 532477282 /nfs/dbraw/zinc/47/72/82/532477282.db2.gz BGRGWYOKNJEVEA-WBVHZDCISA-N 1 2 394.313 2.452 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000562704834 532477285 /nfs/dbraw/zinc/47/72/85/532477285.db2.gz BGRGWYOKNJEVEA-WBVHZDCISA-N 1 2 394.313 2.452 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1ccnn1CC(F)F ZINC000468832753 532477779 /nfs/dbraw/zinc/47/77/79/532477779.db2.gz DSLMWLJHLRFGRJ-UHFFFAOYSA-N 1 2 384.184 2.488 20 0 GEADLO C[C@H](CNS(=O)(=O)Cc1cc(Cl)sc1Cl)C[NH+]1CCOCC1 ZINC000651567743 532478564 /nfs/dbraw/zinc/47/85/64/532478564.db2.gz RZPQQQPGUOQDPB-SNVBAGLBSA-N 1 2 387.354 2.443 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CC[NH2+]C[C@H]1C(F)F ZINC000519830265 532480069 /nfs/dbraw/zinc/48/00/69/532480069.db2.gz WKSCSVSNNYDMQW-QMMMGPOBSA-N 1 2 376.759 2.169 20 0 GEADLO O=S(=O)(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc(Cl)c(F)c1 ZINC000651603459 532480713 /nfs/dbraw/zinc/48/07/13/532480713.db2.gz ZGFNRWNAILXMFW-HOTGVXAUSA-N 1 2 376.881 2.401 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)COc1ccc(Br)cc1F ZINC000468892143 532481093 /nfs/dbraw/zinc/48/10/93/532481093.db2.gz JMAIDMBZEZSTSK-GFCCVEGCSA-N 1 2 389.265 2.146 20 0 GEADLO CS(=O)(=O)C1(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCCC1 ZINC000295856739 532482606 /nfs/dbraw/zinc/48/26/06/532482606.db2.gz WSBXQPGZJXWSBI-UHFFFAOYSA-N 1 2 381.885 2.499 20 0 GEADLO Cc1c(Br)cc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c(=O)n1C ZINC000295945299 532488226 /nfs/dbraw/zinc/48/82/26/532488226.db2.gz QLEBPCUTNJFSRR-ZDUSSCGKSA-N 1 2 393.285 2.413 20 0 GEADLO Cc1c[nH+]ccc1NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000520333594 532489064 /nfs/dbraw/zinc/48/90/64/532489064.db2.gz SJMBWQAUPFXGAD-UHFFFAOYSA-N 1 2 387.230 2.369 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)sc2Cl)C[C@H](C)[N@H+]1CCO ZINC000651728642 532492228 /nfs/dbraw/zinc/49/22/28/532492228.db2.gz FNKSPVFERJKQSA-AOOOYVTPSA-N 1 2 387.354 2.272 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)sc2Cl)C[C@H](C)[N@@H+]1CCO ZINC000651728642 532492231 /nfs/dbraw/zinc/49/22/31/532492231.db2.gz FNKSPVFERJKQSA-AOOOYVTPSA-N 1 2 387.354 2.272 20 0 GEADLO Cc1ccc(-c2nc(NC(=O)C(=O)NCc3c[nH+]cn3C)sc2C)s1 ZINC000651812981 532495621 /nfs/dbraw/zinc/49/56/21/532495621.db2.gz RZVIOHVOHPCZCM-UHFFFAOYSA-N 1 2 375.479 2.477 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC000563036730 532495865 /nfs/dbraw/zinc/49/58/65/532495865.db2.gz MJCLOLQKDBXFLW-CQSZACIVSA-N 1 2 392.301 2.303 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cc(F)ccc1Cl)C(C)(C)CO ZINC000295761175 532474585 /nfs/dbraw/zinc/47/45/85/532474585.db2.gz PDXUSYZAZXLDRE-ZDUSSCGKSA-N 1 2 375.853 2.251 20 0 GEADLO CN1CC[NH+]([C@H](CNC(=O)NC[C@@H]2CCCSC2)c2cccs2)CC1 ZINC000519663909 532474695 /nfs/dbraw/zinc/47/46/95/532474695.db2.gz SZISNAMQWMYUGX-JKSUJKDBSA-N 1 2 382.599 2.479 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ncsc1C(F)(F)F ZINC000684262963 532475137 /nfs/dbraw/zinc/47/51/37/532475137.db2.gz OIAYEYJNCNXECN-CYBMUJFWSA-N 1 2 381.445 2.100 20 0 GEADLO C[C@H](NC(=O)c1c(O)cnc2c(Br)cccc21)[C@H]1C[N@H+](C)CCO1 ZINC000685790469 532496658 /nfs/dbraw/zinc/49/66/58/532496658.db2.gz YVCFITGMAUJNLO-IINYFYTJSA-N 1 2 394.269 2.152 20 0 GEADLO C[C@H](NC(=O)c1c(O)cnc2c(Br)cccc21)[C@H]1C[N@@H+](C)CCO1 ZINC000685790469 532496661 /nfs/dbraw/zinc/49/66/61/532496661.db2.gz YVCFITGMAUJNLO-IINYFYTJSA-N 1 2 394.269 2.152 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000628924427 532476257 /nfs/dbraw/zinc/47/62/57/532476257.db2.gz VUNSHDAYSZKWPP-INIZCTEOSA-N 1 2 379.913 2.377 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000628924427 532476265 /nfs/dbraw/zinc/47/62/65/532476265.db2.gz VUNSHDAYSZKWPP-INIZCTEOSA-N 1 2 379.913 2.377 20 0 GEADLO C[C@H](CNC(=O)c1cc(Br)cc2nc[nH]c21)C[NH+]1CCOCC1 ZINC000282874457 532502714 /nfs/dbraw/zinc/50/27/14/532502714.db2.gz VKAKZUVLMQKFHV-LLVKDONJSA-N 1 2 381.274 2.024 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000521065230 532504967 /nfs/dbraw/zinc/50/49/67/532504967.db2.gz NZFDFKLPKKOVAJ-STQMWFEESA-N 1 2 380.286 2.318 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1 ZINC000296202223 532504969 /nfs/dbraw/zinc/50/49/69/532504969.db2.gz WCOBVHVPHYDAPK-OAHLLOKOSA-N 1 2 385.511 2.269 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000521065230 532504972 /nfs/dbraw/zinc/50/49/72/532504972.db2.gz NZFDFKLPKKOVAJ-STQMWFEESA-N 1 2 380.286 2.318 20 0 GEADLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000431100386 532505940 /nfs/dbraw/zinc/50/59/40/532505940.db2.gz VFLVZBSYEREJDW-UWVGGRQHSA-N 1 2 392.257 2.016 20 0 GEADLO C[NH2+]C[C@@H](C)CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000237296900 532508030 /nfs/dbraw/zinc/50/80/30/532508030.db2.gz AIJAVILPMCKNDH-CYBMUJFWSA-N 1 2 381.523 2.063 20 0 GEADLO Cc1cncc(NC(=O)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000431298070 532510341 /nfs/dbraw/zinc/51/03/41/532510341.db2.gz AEWZVMSUGPPNEU-UHFFFAOYSA-N 1 2 388.225 2.055 20 0 GEADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CC(=O)NCc2ccc(Cl)s2)O1 ZINC000374570430 532510710 /nfs/dbraw/zinc/51/07/10/532510710.db2.gz CEEKJMWNYMQTEB-GHYVTOPFSA-N 1 2 386.901 2.201 20 0 GEADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CC(=O)NCc2ccc(Cl)s2)O1 ZINC000374570430 532510716 /nfs/dbraw/zinc/51/07/16/532510716.db2.gz CEEKJMWNYMQTEB-GHYVTOPFSA-N 1 2 386.901 2.201 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1cc3c(cc1Cl)CCC3=O)C2 ZINC000374581471 532511080 /nfs/dbraw/zinc/51/10/80/532511080.db2.gz ATMLUGAQORJRLC-GFCCVEGCSA-N 1 2 379.869 2.267 20 0 GEADLO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000374580253 532511451 /nfs/dbraw/zinc/51/14/51/532511451.db2.gz OLGKENSGIRAQCS-SECBINFHSA-N 1 2 384.420 2.055 20 0 GEADLO [NH3+]C[C@@H]1CCCN1C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000237952650 532513387 /nfs/dbraw/zinc/51/33/87/532513387.db2.gz XPMLOPNUVDUTII-HNNXBMFYSA-N 1 2 379.507 2.041 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000521504889 532514885 /nfs/dbraw/zinc/51/48/85/532514885.db2.gz VPQDQPOEGYACCN-AMXDTQDGSA-N 1 2 399.365 2.115 20 0 GEADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000521504889 532514888 /nfs/dbraw/zinc/51/48/88/532514888.db2.gz VPQDQPOEGYACCN-AMXDTQDGSA-N 1 2 399.365 2.115 20 0 GEADLO Nc1ccc(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)c[nH+]1 ZINC000238006664 532515635 /nfs/dbraw/zinc/51/56/35/532515635.db2.gz LUHJCHRPWGLBCD-CYBMUJFWSA-N 1 2 375.226 2.418 20 0 GEADLO O=C1N=NCN1C1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000564219705 532518321 /nfs/dbraw/zinc/51/83/21/532518321.db2.gz ACHBXKXSNCXMAP-UHFFFAOYSA-N 1 2 384.221 2.425 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCC3(CCO)CC3)[nH+]c12 ZINC000430327947 532497777 /nfs/dbraw/zinc/49/77/77/532497777.db2.gz YFHWRCDDJIJOSL-UHFFFAOYSA-N 1 2 395.301 2.410 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)NC[C@H]2CCCn3cc[nH+]c32)ccc1Cl ZINC000374400410 532501053 /nfs/dbraw/zinc/50/10/53/532501053.db2.gz OZXSXEFNMMJWEA-GFCCVEGCSA-N 1 2 382.873 2.215 20 0 GEADLO NC(=O)c1csc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000432337820 532535108 /nfs/dbraw/zinc/53/51/08/532535108.db2.gz SQVDVAULJHHJJF-UHFFFAOYSA-N 1 2 381.299 2.327 20 0 GEADLO Cc1cnc(CNC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)o1 ZINC000653698572 532541266 /nfs/dbraw/zinc/54/12/66/532541266.db2.gz XWHDZOATMYUOQB-UHFFFAOYSA-N 1 2 396.245 2.299 20 0 GEADLO Fc1cc2c(cc1Br)[C@@H]([NH2+]Cc1cn(C[C@@H]3CCOC3)nn1)CO2 ZINC000631128673 532543795 /nfs/dbraw/zinc/54/37/95/532543795.db2.gz OEXJZSKHASFKLY-BONVTDFDSA-N 1 2 397.248 2.440 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000565048304 532544189 /nfs/dbraw/zinc/54/41/89/532544189.db2.gz JYJPSTIQUXRXKN-PBFPGSCMSA-N 1 2 388.917 2.146 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000565048304 532544190 /nfs/dbraw/zinc/54/41/90/532544190.db2.gz JYJPSTIQUXRXKN-PBFPGSCMSA-N 1 2 388.917 2.146 20 0 GEADLO NC(=O)[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(Br)cc1F ZINC000245561911 532521180 /nfs/dbraw/zinc/52/11/80/532521180.db2.gz VEXCYLBPWHXHHV-MLGOLLRUSA-N 1 2 393.260 2.378 20 0 GEADLO CC(C)CN(C(=O)C[N@@H+]1CCSC2(CCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000564300009 532521588 /nfs/dbraw/zinc/52/15/88/532521588.db2.gz NTTXNONOVXALAV-INIZCTEOSA-N 1 2 388.599 2.020 20 0 GEADLO CC(C)CN(C(=O)C[N@H+]1CCSC2(CCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000564300009 532521592 /nfs/dbraw/zinc/52/15/92/532521592.db2.gz NTTXNONOVXALAV-INIZCTEOSA-N 1 2 388.599 2.020 20 0 GEADLO O=C(NCC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)OCC(F)(F)F ZINC000374905819 532522959 /nfs/dbraw/zinc/52/29/59/532522959.db2.gz ASYFBBAEQUPGFJ-GFCCVEGCSA-N 1 2 379.766 2.101 20 0 GEADLO Cn1ncc(I)c1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000431887837 532524040 /nfs/dbraw/zinc/52/40/40/532524040.db2.gz RNSSOKXWVUWLKN-UHFFFAOYSA-N 1 2 393.188 2.463 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000245902229 532526492 /nfs/dbraw/zinc/52/64/92/532526492.db2.gz LDAMSDPHAGBQKF-ZBFHGGJFSA-N 1 2 394.313 2.214 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000245902229 532526498 /nfs/dbraw/zinc/52/64/98/532526498.db2.gz LDAMSDPHAGBQKF-ZBFHGGJFSA-N 1 2 394.313 2.214 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000523992932 532528536 /nfs/dbraw/zinc/52/85/36/532528536.db2.gz VXMNEBFJUICSKJ-VIFPVBQESA-N 1 2 391.280 2.167 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000523992932 532528541 /nfs/dbraw/zinc/52/85/41/532528541.db2.gz VXMNEBFJUICSKJ-VIFPVBQESA-N 1 2 391.280 2.167 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)CCOc2ccccc2Br)CCO1 ZINC000470462858 532530446 /nfs/dbraw/zinc/53/04/46/532530446.db2.gz BMAIEFXXXKKKHN-CQSZACIVSA-N 1 2 385.302 2.445 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)CCOc2ccccc2Br)CCO1 ZINC000470462858 532530451 /nfs/dbraw/zinc/53/04/51/532530451.db2.gz BMAIEFXXXKKKHN-CQSZACIVSA-N 1 2 385.302 2.445 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246077760 532530893 /nfs/dbraw/zinc/53/08/93/532530893.db2.gz BWRHJAIHIQIGCI-VBNZEHGJSA-N 1 2 376.881 2.323 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246077760 532530899 /nfs/dbraw/zinc/53/08/99/532530899.db2.gz BWRHJAIHIQIGCI-VBNZEHGJSA-N 1 2 376.881 2.323 20 0 GEADLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000432270936 532532312 /nfs/dbraw/zinc/53/23/12/532532312.db2.gz OLOLNTVHZRIDRQ-CQSZACIVSA-N 1 2 377.857 2.450 20 0 GEADLO C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000246210800 532534127 /nfs/dbraw/zinc/53/41/27/532534127.db2.gz YIJMJGWSDVBQCR-IHRRRGAJSA-N 1 2 384.464 2.075 20 0 GEADLO C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000246210800 532534133 /nfs/dbraw/zinc/53/41/33/532534133.db2.gz YIJMJGWSDVBQCR-IHRRRGAJSA-N 1 2 384.464 2.075 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000630928627 532534391 /nfs/dbraw/zinc/53/43/91/532534391.db2.gz UVTYNODTWCVRCR-GLZXHMCRSA-N 1 2 379.298 2.172 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000630928627 532534399 /nfs/dbraw/zinc/53/43/99/532534399.db2.gz UVTYNODTWCVRCR-GLZXHMCRSA-N 1 2 379.298 2.172 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000630925633 532534962 /nfs/dbraw/zinc/53/49/62/532534962.db2.gz KDZOQPFYNUPLDQ-HNNXBMFYSA-N 1 2 392.301 2.405 20 0 GEADLO C[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@@H](O)C(F)(F)F ZINC000631237501 532549969 /nfs/dbraw/zinc/54/99/69/532549969.db2.gz VOELMEYVZGBJLG-QPUJVOFHSA-N 1 2 379.180 2.431 20 0 GEADLO O=C(NCC1CC[NH+](CC(F)F)CC1)c1cc(I)c[nH]1 ZINC000565203446 532551367 /nfs/dbraw/zinc/55/13/67/532551367.db2.gz GAVKRMKOPFWAHM-UHFFFAOYSA-N 1 2 397.207 2.326 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3C)c1 ZINC000471511707 532552081 /nfs/dbraw/zinc/55/20/81/532552081.db2.gz LCLXTRMKAYBRIJ-UHFFFAOYSA-N 1 2 379.463 2.168 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000432990103 532552267 /nfs/dbraw/zinc/55/22/67/532552267.db2.gz XOQCHRKDWGHNOM-MRVPVSSYSA-N 1 2 399.270 2.377 20 0 GEADLO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000432997298 532552519 /nfs/dbraw/zinc/55/25/19/532552519.db2.gz LAWYYAISXPGSAZ-LLVKDONJSA-N 1 2 379.258 2.215 20 0 GEADLO C[C@H]([NH2+]CC(=O)NCCOc1ccc(F)cc1)c1ncc(Br)cn1 ZINC000433006124 532553059 /nfs/dbraw/zinc/55/30/59/532553059.db2.gz FMCXKVMBDHFRRI-NSHDSACASA-N 1 2 397.248 2.224 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000375374495 532553136 /nfs/dbraw/zinc/55/31/36/532553136.db2.gz XSAQNVMFXJGPBY-ZDUSSCGKSA-N 1 2 389.253 2.086 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000375374495 532553142 /nfs/dbraw/zinc/55/31/42/532553142.db2.gz XSAQNVMFXJGPBY-ZDUSSCGKSA-N 1 2 389.253 2.086 20 0 GEADLO CC(C)(C(=O)N[C@@H]1CCOc2c(Br)cccc21)[NH+]1CCOCC1 ZINC000283738710 532553424 /nfs/dbraw/zinc/55/34/24/532553424.db2.gz GOFLSLSHLUAWLY-CQSZACIVSA-N 1 2 383.286 2.500 20 0 GEADLO C[C@@]1(Br)C[C@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000527714693 532554249 /nfs/dbraw/zinc/55/42/49/532554249.db2.gz ZYOPSUWQLXYWFK-KBXCAEBGSA-N 1 2 395.297 2.276 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000471646103 532554594 /nfs/dbraw/zinc/55/45/94/532554594.db2.gz SYDGPPYMPZKURW-CJNGLKHVSA-N 1 2 384.929 2.368 20 0 GEADLO C[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cn1 ZINC000565289074 532555102 /nfs/dbraw/zinc/55/51/02/532555102.db2.gz WSTZKMKVRWFTDZ-FPMFFAJLSA-N 1 2 383.290 2.068 20 0 GEADLO C[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cn1 ZINC000565289074 532555109 /nfs/dbraw/zinc/55/51/09/532555109.db2.gz WSTZKMKVRWFTDZ-FPMFFAJLSA-N 1 2 383.290 2.068 20 0 GEADLO CC(C)(NC(=O)C(F)(F)F)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000375418770 532555792 /nfs/dbraw/zinc/55/57/92/532555792.db2.gz ZVCNXRFNUSJGQX-UHFFFAOYSA-N 1 2 377.432 2.286 20 0 GEADLO CC(C)OC[C@H](CO)[N@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000433171613 532556528 /nfs/dbraw/zinc/55/65/28/532556528.db2.gz FDPXHEPMTXLVNK-LBPRGKRZSA-N 1 2 377.254 2.244 20 0 GEADLO CC(C)OC[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000433171613 532556533 /nfs/dbraw/zinc/55/65/33/532556533.db2.gz FDPXHEPMTXLVNK-LBPRGKRZSA-N 1 2 377.254 2.244 20 0 GEADLO Cc1nsc(N2CCC[N@@H+]([C@H](Cc3ccc(Cl)cc3)C(N)=O)CC2)n1 ZINC000248871229 532556622 /nfs/dbraw/zinc/55/66/22/532556622.db2.gz KDIVMRAVOUVREO-OAHLLOKOSA-N 1 2 379.917 2.109 20 0 GEADLO Cc1nsc(N2CCC[N@H+]([C@H](Cc3ccc(Cl)cc3)C(N)=O)CC2)n1 ZINC000248871229 532556631 /nfs/dbraw/zinc/55/66/31/532556631.db2.gz KDIVMRAVOUVREO-OAHLLOKOSA-N 1 2 379.917 2.109 20 0 GEADLO Cn1cc(Br)c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)n1 ZINC000433193109 532556839 /nfs/dbraw/zinc/55/68/39/532556839.db2.gz ORXGLAIJAWCZSC-LBPRGKRZSA-N 1 2 381.274 2.418 20 0 GEADLO Cn1cc(Br)c(C[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)n1 ZINC000433193109 532556846 /nfs/dbraw/zinc/55/68/46/532556846.db2.gz ORXGLAIJAWCZSC-LBPRGKRZSA-N 1 2 381.274 2.418 20 0 GEADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000433183832 532557385 /nfs/dbraw/zinc/55/73/85/532557385.db2.gz UHMPGCQXLNBOFU-YOEYROIRSA-N 1 2 376.316 2.032 20 0 GEADLO C[C@@H]1CC[S@](=O)CC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000433183832 532557392 /nfs/dbraw/zinc/55/73/92/532557392.db2.gz UHMPGCQXLNBOFU-YOEYROIRSA-N 1 2 376.316 2.032 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000283792529 532557522 /nfs/dbraw/zinc/55/75/22/532557522.db2.gz GUXBOKXTRZIHEZ-SMDDNHRTSA-N 1 2 378.885 2.395 20 0 GEADLO O=C(NCc1cc(Br)cs1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000283788969 532557557 /nfs/dbraw/zinc/55/75/57/532557557.db2.gz GIQPQCCTNGOSJE-JTQLQIEISA-N 1 2 397.298 2.256 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000283792517 532557988 /nfs/dbraw/zinc/55/79/88/532557988.db2.gz GUXBOKXTRZIHEZ-FZMZJTMJSA-N 1 2 378.885 2.395 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000283792512 532558085 /nfs/dbraw/zinc/55/80/85/532558085.db2.gz GUXBOKXTRZIHEZ-BXUZGUMPSA-N 1 2 378.885 2.395 20 0 GEADLO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2nn(C)cc2Br)C1 ZINC000433203966 532559772 /nfs/dbraw/zinc/55/97/72/532559772.db2.gz DTZFJONWBMUSGG-QGZVFWFLSA-N 1 2 378.270 2.499 20 0 GEADLO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2nn(C)cc2Br)C1 ZINC000433203966 532559776 /nfs/dbraw/zinc/55/97/76/532559776.db2.gz DTZFJONWBMUSGG-QGZVFWFLSA-N 1 2 378.270 2.499 20 0 GEADLO C[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(F)c(Cl)c1 ZINC000433256167 532561029 /nfs/dbraw/zinc/56/10/29/532561029.db2.gz JXQVSYHNJJUZPD-UHFFFAOYSA-N 1 2 385.848 2.197 20 0 GEADLO C[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(F)c(Cl)c1 ZINC000433256167 532561035 /nfs/dbraw/zinc/56/10/35/532561035.db2.gz JXQVSYHNJJUZPD-UHFFFAOYSA-N 1 2 385.848 2.197 20 0 GEADLO O=C(CCn1cc[nH+]c1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000433270290 532561161 /nfs/dbraw/zinc/56/11/61/532561161.db2.gz KESJNKGJMHFRTQ-UHFFFAOYSA-N 1 2 393.285 2.189 20 0 GEADLO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000433358590 532564215 /nfs/dbraw/zinc/56/42/15/532564215.db2.gz CCTRTBAFDJMMTK-NEPJUHHUSA-N 1 2 386.901 2.470 20 0 GEADLO Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000433358590 532564223 /nfs/dbraw/zinc/56/42/23/532564223.db2.gz CCTRTBAFDJMMTK-NEPJUHHUSA-N 1 2 386.901 2.470 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000472093991 532564315 /nfs/dbraw/zinc/56/43/15/532564315.db2.gz CROQAWRQDMDPNY-HUUCEWRRSA-N 1 2 388.555 2.021 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)[C@H](C)C1 ZINC000528397477 532564347 /nfs/dbraw/zinc/56/43/47/532564347.db2.gz QJLKDUUXIOULDM-LLVKDONJSA-N 1 2 382.404 2.309 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)[C@H](C)C1 ZINC000528397477 532564354 /nfs/dbraw/zinc/56/43/54/532564354.db2.gz QJLKDUUXIOULDM-LLVKDONJSA-N 1 2 382.404 2.309 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1Cl ZINC000433351557 532565312 /nfs/dbraw/zinc/56/53/12/532565312.db2.gz HCUXNYMRYNEZDW-RYUDHWBXSA-N 1 2 381.325 2.377 20 0 GEADLO Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1Cl ZINC000433351557 532565316 /nfs/dbraw/zinc/56/53/16/532565316.db2.gz HCUXNYMRYNEZDW-RYUDHWBXSA-N 1 2 381.325 2.377 20 0 GEADLO COC(=O)C[N@H+](Cc1cccc(Br)c1)C[C@@H](OC)[C@H]1CCOC1 ZINC000595457293 532565783 /nfs/dbraw/zinc/56/57/83/532565783.db2.gz IZXFITCCNGQINA-GOEBONIOSA-N 1 2 386.286 2.476 20 0 GEADLO COC(=O)C[N@@H+](Cc1cccc(Br)c1)C[C@@H](OC)[C@H]1CCOC1 ZINC000595457293 532565788 /nfs/dbraw/zinc/56/57/88/532565788.db2.gz IZXFITCCNGQINA-GOEBONIOSA-N 1 2 386.286 2.476 20 0 GEADLO CO[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1Br ZINC000654738088 532567508 /nfs/dbraw/zinc/56/75/08/532567508.db2.gz MPZMZTZNTAPCRM-WWGRRREGSA-N 1 2 385.302 2.362 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CC(=O)N(C)Cc2cccs2)C1 ZINC000595628572 532568790 /nfs/dbraw/zinc/56/87/90/532568790.db2.gz NTPCBIQUVRQDLP-NEPJUHHUSA-N 1 2 378.416 2.380 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CC(=O)N(C)Cc2cccs2)C1 ZINC000595628572 532568795 /nfs/dbraw/zinc/56/87/95/532568795.db2.gz NTPCBIQUVRQDLP-NEPJUHHUSA-N 1 2 378.416 2.380 20 0 GEADLO CCOC(=O)C[N@H+](CC)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000527135294 532545725 /nfs/dbraw/zinc/54/57/25/532545725.db2.gz HDYZFWBWCFXDHE-ZDUSSCGKSA-N 1 2 378.238 2.213 20 0 GEADLO CCOC(=O)C[N@@H+](CC)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000527135294 532545732 /nfs/dbraw/zinc/54/57/32/532545732.db2.gz HDYZFWBWCFXDHE-ZDUSSCGKSA-N 1 2 378.238 2.213 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H]2CNS(=O)(=O)CCc2cccs2)cc1 ZINC000528500858 532569512 /nfs/dbraw/zinc/56/95/12/532569512.db2.gz KHKCJIUGJLEJEC-INIZCTEOSA-N 1 2 380.535 2.493 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H]2CNS(=O)(=O)CCc2cccs2)cc1 ZINC000528500858 532569515 /nfs/dbraw/zinc/56/95/15/532569515.db2.gz KHKCJIUGJLEJEC-INIZCTEOSA-N 1 2 380.535 2.493 20 0 GEADLO CS(=O)(=O)c1cc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)co1 ZINC000528514200 532569539 /nfs/dbraw/zinc/56/95/39/532569539.db2.gz YOWGHTUSEONSMY-ZDUSSCGKSA-N 1 2 392.246 2.408 20 0 GEADLO CCSC1(CNC(=O)C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CC1 ZINC000595170072 532547184 /nfs/dbraw/zinc/54/71/84/532547184.db2.gz QWNUOZNBVUDLRE-AWEZNQCLSA-N 1 2 381.567 2.355 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000375618936 532569579 /nfs/dbraw/zinc/56/95/79/532569579.db2.gz QITONZNVZHNGHO-SWLSCSKDSA-N 1 2 376.881 2.104 20 0 GEADLO COc1cc(C[NH2+]Cc2ncc(Br)cc2F)ccc1OCC(N)=O ZINC000527646945 532549496 /nfs/dbraw/zinc/54/94/96/532549496.db2.gz SOEWHMLVHVHRPC-UHFFFAOYSA-N 1 2 398.232 2.146 20 0 GEADLO Brc1cc2c(cc1C[NH2+]Cc1nnc(C3CCOCC3)[nH]1)OCO2 ZINC000631215163 532549742 /nfs/dbraw/zinc/54/97/42/532549742.db2.gz LRFIMNPRBLPYDC-UHFFFAOYSA-N 1 2 395.257 2.480 20 0 GEADLO CNC(=O)[C@H](C)C[N@H+](C)Cc1c(Br)cncc1Br ZINC000284260293 532583478 /nfs/dbraw/zinc/58/34/78/532583478.db2.gz RULVILLRWPMHMP-MRVPVSSYSA-N 1 2 379.096 2.421 20 0 GEADLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1c(Br)cncc1Br ZINC000284260293 532583483 /nfs/dbraw/zinc/58/34/83/532583483.db2.gz RULVILLRWPMHMP-MRVPVSSYSA-N 1 2 379.096 2.421 20 0 GEADLO COc1cc(C(=O)NCC2([NH+]3CCOCC3)CC2)cc(OC)c1Br ZINC000565925975 532584563 /nfs/dbraw/zinc/58/45/63/532584563.db2.gz DPAVKYWWCIUPFZ-UHFFFAOYSA-N 1 2 399.285 2.061 20 0 GEADLO O=C(c1ccsc1C(F)(F)F)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000528830505 532584591 /nfs/dbraw/zinc/58/45/91/532584591.db2.gz KFRJRQCEQXHHJA-GFCCVEGCSA-N 1 2 378.416 2.330 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000375910218 532585239 /nfs/dbraw/zinc/58/52/39/532585239.db2.gz QUTYBIHUDBLATP-AWEZNQCLSA-N 1 2 377.242 2.040 20 0 GEADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000473261757 532587415 /nfs/dbraw/zinc/58/74/15/532587415.db2.gz VLNSAJWSRJOGRH-MRXNPFEDSA-N 1 2 397.313 2.322 20 0 GEADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000473261757 532587422 /nfs/dbraw/zinc/58/74/22/532587422.db2.gz VLNSAJWSRJOGRH-MRXNPFEDSA-N 1 2 397.313 2.322 20 0 GEADLO COC(=O)[C@H]1CC[C@@H](NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000434262876 532589883 /nfs/dbraw/zinc/58/98/83/532589883.db2.gz BXHDOGPGNYXALR-CMPLNLGQSA-N 1 2 395.257 2.238 20 0 GEADLO O[C@@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000473446265 532591542 /nfs/dbraw/zinc/59/15/42/532591542.db2.gz ZWXUUSDYBOGBQV-TZMCWYRMSA-N 1 2 380.491 2.402 20 0 GEADLO O[C@@H](COc1ccc2c(c1)OCO2)C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000473446265 532591549 /nfs/dbraw/zinc/59/15/49/532591549.db2.gz ZWXUUSDYBOGBQV-TZMCWYRMSA-N 1 2 380.491 2.402 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000528551853 532571950 /nfs/dbraw/zinc/57/19/50/532571950.db2.gz XHSVMAZCDHEIJG-AWEZNQCLSA-N 1 2 394.324 2.036 20 0 GEADLO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595723008 532572430 /nfs/dbraw/zinc/57/24/30/532572430.db2.gz OBHOEZGVEHWSIU-CYBMUJFWSA-N 1 2 397.317 2.194 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H](CC(F)(F)F)C1 ZINC000433571182 532573413 /nfs/dbraw/zinc/57/34/13/532573413.db2.gz BXXOWTSQJUNVSE-UKRRQHHQSA-N 1 2 381.464 2.178 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCCc1cccc(Br)c1 ZINC000595815383 532574410 /nfs/dbraw/zinc/57/44/10/532574410.db2.gz JOJIDHJWAHREGZ-CQSZACIVSA-N 1 2 384.318 2.402 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCCc1cccc(Br)c1 ZINC000595815383 532574414 /nfs/dbraw/zinc/57/44/14/532574414.db2.gz JOJIDHJWAHREGZ-CQSZACIVSA-N 1 2 384.318 2.402 20 0 GEADLO CO[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Br ZINC000654890490 532574387 /nfs/dbraw/zinc/57/43/87/532574387.db2.gz ZPPAICHAIGTBHH-BBRMVZONSA-N 1 2 383.286 2.070 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000595800185 532574505 /nfs/dbraw/zinc/57/45/05/532574505.db2.gz HSBVUCRGGAWJQL-SUMWQHHRSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000595800185 532574511 /nfs/dbraw/zinc/57/45/11/532574511.db2.gz HSBVUCRGGAWJQL-SUMWQHHRSA-N 1 2 392.279 2.387 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)c1sc(C)nc1C)[NH+]1CCOCC1 ZINC000433637628 532574972 /nfs/dbraw/zinc/57/49/72/532574972.db2.gz FLESPEVJDZCVNN-OAHLLOKOSA-N 1 2 375.560 2.175 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC(C)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000632023959 532575043 /nfs/dbraw/zinc/57/50/43/532575043.db2.gz ZEWFDXQQJHTTTD-ZBFHGGJFSA-N 1 2 376.469 2.241 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC(C)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000632023959 532575050 /nfs/dbraw/zinc/57/50/50/532575050.db2.gz ZEWFDXQQJHTTTD-ZBFHGGJFSA-N 1 2 376.469 2.241 20 0 GEADLO O=S(=O)(C1CC1)N1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000528610718 532575475 /nfs/dbraw/zinc/57/54/75/532575475.db2.gz OBXZGVJVJOZCTA-UHFFFAOYSA-N 1 2 378.416 2.194 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000375693669 532575466 /nfs/dbraw/zinc/57/54/66/532575466.db2.gz TYUNYYMWPJLMHV-NSHDSACASA-N 1 2 377.482 2.288 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000375693669 532575471 /nfs/dbraw/zinc/57/54/71/532575471.db2.gz TYUNYYMWPJLMHV-NSHDSACASA-N 1 2 377.482 2.288 20 0 GEADLO O=S(=O)(C1CC1)N1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000528611296 532575911 /nfs/dbraw/zinc/57/59/11/532575911.db2.gz QRQSMWWGHHXJBV-UHFFFAOYSA-N 1 2 378.416 2.238 20 0 GEADLO COC(=O)c1cnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000595914699 532576791 /nfs/dbraw/zinc/57/67/91/532576791.db2.gz OJPUYZLXGLDECC-VHSXEESVSA-N 1 2 379.404 2.176 20 0 GEADLO COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000595914699 532576795 /nfs/dbraw/zinc/57/67/95/532576795.db2.gz OJPUYZLXGLDECC-VHSXEESVSA-N 1 2 379.404 2.176 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(CN2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC000566139741 532595359 /nfs/dbraw/zinc/59/53/59/532595359.db2.gz IMHVWMRGAMJDFZ-UHFFFAOYSA-N 1 2 380.539 2.470 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)C[C@H]1n1cc[nH+]c1 ZINC000632100164 532577879 /nfs/dbraw/zinc/57/78/79/532577879.db2.gz WFGLQKSHIFVXTM-BXUZGUMPSA-N 1 2 378.479 2.470 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000284162269 532580137 /nfs/dbraw/zinc/58/01/37/532580137.db2.gz ZOKIDWDRIQUNES-RYUDHWBXSA-N 1 2 379.258 2.028 20 0 GEADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCC(F)(F)C[C@H]2C)c1C ZINC000528763205 532580173 /nfs/dbraw/zinc/58/01/73/532580173.db2.gz AJUOFQKWYLIQNI-LLVKDONJSA-N 1 2 375.441 2.009 20 0 GEADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCC(F)(F)C[C@H]2C)c1C ZINC000528763205 532580179 /nfs/dbraw/zinc/58/01/79/532580179.db2.gz AJUOFQKWYLIQNI-LLVKDONJSA-N 1 2 375.441 2.009 20 0 GEADLO COc1cccc2sc(NC(=O)C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)nc21 ZINC000528784977 532581097 /nfs/dbraw/zinc/58/10/97/532581097.db2.gz QCODSTVGFOGZOS-FIRCGALFSA-N 1 2 379.507 2.229 20 0 GEADLO COc1cccc2sc(NC(=O)C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)nc21 ZINC000528784977 532581102 /nfs/dbraw/zinc/58/11/02/532581102.db2.gz QCODSTVGFOGZOS-FIRCGALFSA-N 1 2 379.507 2.229 20 0 GEADLO Cc1ccsc1-c1nnc(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)o1 ZINC000528784645 532581129 /nfs/dbraw/zinc/58/11/29/532581129.db2.gz PYRLOSBKCKOJFR-FIRCGALFSA-N 1 2 380.495 2.030 20 0 GEADLO Cc1ccsc1-c1nnc(NC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)o1 ZINC000528784645 532581137 /nfs/dbraw/zinc/58/11/37/532581137.db2.gz PYRLOSBKCKOJFR-FIRCGALFSA-N 1 2 380.495 2.030 20 0 GEADLO Cc1csc(S(=O)(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000565874994 532581928 /nfs/dbraw/zinc/58/19/28/532581928.db2.gz JFMHICCGMKQKCM-UHFFFAOYSA-N 1 2 376.507 2.211 20 0 GEADLO O=S(=O)(NCc1[nH]cc[nH+]1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000632142911 532582240 /nfs/dbraw/zinc/58/22/40/532582240.db2.gz KJSKIRVGQDDVNH-UHFFFAOYSA-N 1 2 381.351 2.305 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)c1 ZINC000632501440 532615107 /nfs/dbraw/zinc/61/51/07/532615107.db2.gz MQHFSTJBDICXNP-HZPDHXFCSA-N 1 2 388.917 2.126 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2c(F)cccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000632501268 532616038 /nfs/dbraw/zinc/61/60/38/532616038.db2.gz LPPSIVCVCHIBIL-KGLIPLIRSA-N 1 2 376.881 2.257 20 0 GEADLO CCCCN(CCCC)S(=O)(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000632502923 532616892 /nfs/dbraw/zinc/61/68/92/532616892.db2.gz ZNKXCCDJPNESRF-DLBZAZTESA-N 1 2 375.579 2.222 20 0 GEADLO CC1(C)[C@@H](NS(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@@H]1[NH+]1CCOCC1 ZINC000632502451 532617983 /nfs/dbraw/zinc/61/79/83/532617983.db2.gz NAZZJIKORAZUAO-STQMWFEESA-N 1 2 394.871 2.396 20 0 GEADLO CC[C@H]1C[N@H+](C)CCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000566664003 532622196 /nfs/dbraw/zinc/62/21/96/532622196.db2.gz BRVAJMGOXHNHDR-HNNXBMFYSA-N 1 2 387.933 2.239 20 0 GEADLO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000566664003 532622200 /nfs/dbraw/zinc/62/22/00/532622200.db2.gz BRVAJMGOXHNHDR-HNNXBMFYSA-N 1 2 387.933 2.239 20 0 GEADLO COC(=O)C[N@H+](CCCN1CCCC1=O)Cc1cccc(Br)c1 ZINC000530447088 532621175 /nfs/dbraw/zinc/62/11/75/532621175.db2.gz QXQSVJHTWSLFHN-UHFFFAOYSA-N 1 2 383.286 2.437 20 0 GEADLO COC(=O)C[N@@H+](CCCN1CCCC1=O)Cc1cccc(Br)c1 ZINC000530447088 532621180 /nfs/dbraw/zinc/62/11/80/532621180.db2.gz QXQSVJHTWSLFHN-UHFFFAOYSA-N 1 2 383.286 2.437 20 0 GEADLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CCS(=O)(=O)C1 ZINC000434533499 532596785 /nfs/dbraw/zinc/59/67/85/532596785.db2.gz BFKNOXHPXHYCPQ-GFCCVEGCSA-N 1 2 378.416 2.401 20 0 GEADLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CCS(=O)(=O)C1 ZINC000434533499 532596792 /nfs/dbraw/zinc/59/67/92/532596792.db2.gz BFKNOXHPXHYCPQ-GFCCVEGCSA-N 1 2 378.416 2.401 20 0 GEADLO CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CSC[NH2+]2)c1 ZINC000262703938 532597768 /nfs/dbraw/zinc/59/77/68/532597768.db2.gz ZVDTXLQEAPBQNW-INIZCTEOSA-N 1 2 383.539 2.241 20 0 GEADLO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc(Cl)c1O ZINC000297620980 532598515 /nfs/dbraw/zinc/59/85/15/532598515.db2.gz HEAMBELJBVFYGB-CYBMUJFWSA-N 1 2 376.906 2.348 20 0 GEADLO CCOc1cc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc(Cl)c1O ZINC000297620980 532598519 /nfs/dbraw/zinc/59/85/19/532598519.db2.gz HEAMBELJBVFYGB-CYBMUJFWSA-N 1 2 376.906 2.348 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(c1nc[nH+]c(N)c1OC)C2 ZINC000596566821 532598908 /nfs/dbraw/zinc/59/89/08/532598908.db2.gz MYYUBWNXFYEOOU-UHFFFAOYSA-N 1 2 385.243 2.198 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(c1[nH+]cnc(N)c1OC)C2 ZINC000596566821 532598912 /nfs/dbraw/zinc/59/89/12/532598912.db2.gz MYYUBWNXFYEOOU-UHFFFAOYSA-N 1 2 385.243 2.198 20 0 GEADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000376196348 532600778 /nfs/dbraw/zinc/60/07/78/532600778.db2.gz BUHXBXSIRYAIBI-QWHCGFSZSA-N 1 2 392.327 2.334 20 0 GEADLO Cc1cc(NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)nc(C2CC2)[nH+]1 ZINC000376195928 532601443 /nfs/dbraw/zinc/60/14/43/532601443.db2.gz FBGXKOSVSLVDOD-ZDUSSCGKSA-N 1 2 378.523 2.847 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1c(Cl)ccc(F)c1F ZINC000376239920 532602531 /nfs/dbraw/zinc/60/25/31/532602531.db2.gz DKWOARSBVYRHRE-RISCZKNCSA-N 1 2 394.871 2.397 20 0 GEADLO O=C(c1c(Cl)cccc1Cl)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262928592 532608071 /nfs/dbraw/zinc/60/80/71/532608071.db2.gz HQNALKTYDPFIAK-LBPRGKRZSA-N 1 2 392.233 2.275 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000474132385 532608323 /nfs/dbraw/zinc/60/83/23/532608323.db2.gz LICVNDWYIKUYKW-UHFFFAOYSA-N 1 2 389.315 2.317 20 0 GEADLO C[C@]1(CO)C[N@@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C[C@@]1(C)CO ZINC000529668426 532611768 /nfs/dbraw/zinc/61/17/68/532611768.db2.gz JNURLNAPNYWMPC-CALCHBBNSA-N 1 2 385.295 2.387 20 0 GEADLO C[C@]1(CO)C[N@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C[C@@]1(C)CO ZINC000529668426 532611774 /nfs/dbraw/zinc/61/17/74/532611774.db2.gz JNURLNAPNYWMPC-CALCHBBNSA-N 1 2 385.295 2.387 20 0 GEADLO O=S(=O)(C[C@@H]1CCCCC1(F)F)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000566660232 532622539 /nfs/dbraw/zinc/62/25/39/532622539.db2.gz IBEQPQJLIVDXGV-JYJNAYRXSA-N 1 2 380.501 2.375 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CCO1 ZINC000530687133 532626212 /nfs/dbraw/zinc/62/62/12/532626212.db2.gz HXHDFJZIAAQGSC-NSHDSACASA-N 1 2 394.269 2.153 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CCO1 ZINC000530687133 532626219 /nfs/dbraw/zinc/62/62/19/532626219.db2.gz HXHDFJZIAAQGSC-NSHDSACASA-N 1 2 394.269 2.153 20 0 GEADLO COC(=O)c1sc(NC(=O)CC[N@H+](C)CC(F)F)c(C(=O)OC)c1C ZINC000436212266 532629754 /nfs/dbraw/zinc/62/97/54/532629754.db2.gz UKSUAZHKSZTUAI-UHFFFAOYSA-N 1 2 378.397 2.155 20 0 GEADLO COC(=O)c1sc(NC(=O)CC[N@@H+](C)CC(F)F)c(C(=O)OC)c1C ZINC000436212266 532629760 /nfs/dbraw/zinc/62/97/60/532629760.db2.gz UKSUAZHKSZTUAI-UHFFFAOYSA-N 1 2 378.397 2.155 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000284913656 532631923 /nfs/dbraw/zinc/63/19/23/532631923.db2.gz MUBXPYCXYGXTSR-CVEARBPZSA-N 1 2 378.519 2.428 20 0 GEADLO O=C(NCCn1cc(Br)cn1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376836390 532631977 /nfs/dbraw/zinc/63/19/77/532631977.db2.gz ZHMCKHJPHJJRCD-CQSZACIVSA-N 1 2 393.289 2.009 20 0 GEADLO O=C(NCCOc1ncc(Cl)cc1Cl)c1ccc(-n2cc[nH+]c2)nn1 ZINC000531641512 532635128 /nfs/dbraw/zinc/63/51/28/532635128.db2.gz LPAGPJXRVMXIDT-UHFFFAOYSA-N 1 2 379.207 2.173 20 0 GEADLO CSCC1(CCNC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CC1 ZINC000597986853 532635536 /nfs/dbraw/zinc/63/55/36/532635536.db2.gz PRGZKLVZWGGDAW-UHFFFAOYSA-N 1 2 384.567 2.285 20 0 GEADLO COC(=O)[C@H]([NH2+][C@H](C)CCc1ccc(I)cc1)[C@@H](C)O ZINC000475091918 532636919 /nfs/dbraw/zinc/63/69/19/532636919.db2.gz KLOHKRBRBTVPGO-JTNHKYCSSA-N 1 2 391.249 2.124 20 0 GEADLO O=S(=O)(CC12CCC(CC1)CC2)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000567175695 532643127 /nfs/dbraw/zinc/64/31/27/532643127.db2.gz IKYBOMCBDOOWCR-DAWZGUTISA-N 1 2 388.599 2.084 20 0 GEADLO O=C(CNC(=O)c1cccc(Br)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263822138 532643314 /nfs/dbraw/zinc/64/33/14/532643314.db2.gz VBOWIKPTDZGGPG-UHFFFAOYSA-N 1 2 391.269 2.308 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000263840586 532644288 /nfs/dbraw/zinc/64/42/88/532644288.db2.gz CSUIFHWXZQAZCV-UHFFFAOYSA-N 1 2 393.285 2.243 20 0 GEADLO C[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)S(C)(=O)=O ZINC000533158732 532661382 /nfs/dbraw/zinc/66/13/82/532661382.db2.gz OXLKZAKFDZSOJI-CJNGLKHVSA-N 1 2 387.933 2.209 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)CCNC(=O)NC(C)C)c1 ZINC000567770782 532661367 /nfs/dbraw/zinc/66/13/67/532661367.db2.gz GXTUMTWDFXSJFI-OAHLLOKOSA-N 1 2 388.306 2.131 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)CCNC(=O)NC(C)C)c1 ZINC000567770782 532661371 /nfs/dbraw/zinc/66/13/71/532661371.db2.gz GXTUMTWDFXSJFI-OAHLLOKOSA-N 1 2 388.306 2.131 20 0 GEADLO Cc1ncc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000533174816 532662676 /nfs/dbraw/zinc/66/26/76/532662676.db2.gz JKQZIWHNWLYSFA-BBRMVZONSA-N 1 2 381.523 2.019 20 0 GEADLO Cc1ncc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000533174816 532662678 /nfs/dbraw/zinc/66/26/78/532662678.db2.gz JKQZIWHNWLYSFA-BBRMVZONSA-N 1 2 381.523 2.019 20 0 GEADLO CCCCn1c(SCCN2CCCS2(=O)=O)nnc1[C@@H](CC)[NH+](C)C ZINC000533447767 532664013 /nfs/dbraw/zinc/66/40/13/532664013.db2.gz IJKNVXKNFPOIGY-CQSZACIVSA-N 1 2 389.591 2.219 20 0 GEADLO O=S(=O)(NCc1ccc[nH+]c1N1CCOCC1)c1cc(F)ccc1Cl ZINC000264147478 532664287 /nfs/dbraw/zinc/66/42/87/532664287.db2.gz ZHRGFWLDDSKFPM-UHFFFAOYSA-N 1 2 385.848 2.189 20 0 GEADLO NC(=O)c1cccc(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000567796805 532664309 /nfs/dbraw/zinc/66/43/09/532664309.db2.gz LHZDTKSFNIUAIA-UHFFFAOYSA-N 1 2 375.519 2.284 20 0 GEADLO CN(Cc1ccc(Br)o1)C(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000298628987 532664372 /nfs/dbraw/zinc/66/43/72/532664372.db2.gz JSCHGPKCYLVYFD-LBPRGKRZSA-N 1 2 395.257 2.477 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000599567143 532665742 /nfs/dbraw/zinc/66/57/42/532665742.db2.gz MRQNOGPDIXRSDT-BDJLRTHQSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000599567143 532665748 /nfs/dbraw/zinc/66/57/48/532665748.db2.gz MRQNOGPDIXRSDT-BDJLRTHQSA-N 1 2 385.258 2.040 20 0 GEADLO C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cn1)[C@H](C)[NH+]1CCOCC1 ZINC000264175681 532666024 /nfs/dbraw/zinc/66/60/24/532666024.db2.gz AMJXTWJSGOOEEF-NEPJUHHUSA-N 1 2 377.432 2.418 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000599570071 532666876 /nfs/dbraw/zinc/66/68/76/532666876.db2.gz TUKBYAAMBQYAIJ-MRXNPFEDSA-N 1 2 396.241 2.263 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000599570071 532666880 /nfs/dbraw/zinc/66/68/80/532666880.db2.gz TUKBYAAMBQYAIJ-MRXNPFEDSA-N 1 2 396.241 2.263 20 0 GEADLO Cc1cc[nH+]cc1N1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000534095159 532669438 /nfs/dbraw/zinc/66/94/38/532669438.db2.gz PKPNFAHQBVYMNV-UHFFFAOYSA-N 1 2 390.285 2.308 20 0 GEADLO O=C(C[N@H+]1CCSC[C@@H]1CCO)c1c[nH]c2ncc(Br)cc12 ZINC000660002023 532668243 /nfs/dbraw/zinc/66/82/43/532668243.db2.gz AZPHRKNSFBUSDH-NSHDSACASA-N 1 2 384.299 2.308 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@@H]1CCO)c1c[nH]c2ncc(Br)cc12 ZINC000660002023 532668248 /nfs/dbraw/zinc/66/82/48/532668248.db2.gz AZPHRKNSFBUSDH-NSHDSACASA-N 1 2 384.299 2.308 20 0 GEADLO CN(CCCNc1[nH+]cnc2c1c(Br)nn2C)CC(F)(F)F ZINC000263947316 532651307 /nfs/dbraw/zinc/65/13/07/532651307.db2.gz HKKICVPZRXULFH-UHFFFAOYSA-N 1 2 381.200 2.422 20 0 GEADLO Cc1cccc(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000437246596 532652435 /nfs/dbraw/zinc/65/24/35/532652435.db2.gz NEGQHLAHHMOKAK-UHFFFAOYSA-N 1 2 375.372 2.307 20 0 GEADLO C[C@H](Nc1[nH+]cnc2c1c(Br)nn2C)C(=O)NCc1ccccc1 ZINC000263959136 532652883 /nfs/dbraw/zinc/65/28/83/532652883.db2.gz NZZUTTARYPIZEI-JTQLQIEISA-N 1 2 389.257 2.243 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000377346459 532653906 /nfs/dbraw/zinc/65/39/06/532653906.db2.gz PYZIQVDQPYZKRK-LBPRGKRZSA-N 1 2 378.274 2.261 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c[nH]1 ZINC000437396751 532658167 /nfs/dbraw/zinc/65/81/67/532658167.db2.gz QXAADULDAACBDY-UHFFFAOYSA-N 1 2 380.813 2.441 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000567720409 532658658 /nfs/dbraw/zinc/65/86/58/532658658.db2.gz GRWPXNCRKYFWPM-AWEZNQCLSA-N 1 2 388.917 2.082 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@H]1CCCn2ncnc21 ZINC000437449454 532659298 /nfs/dbraw/zinc/65/92/98/532659298.db2.gz FZAUOPBIYCEFQW-LBPRGKRZSA-N 1 2 390.245 2.023 20 0 GEADLO CC(C)(C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)S(C)(=O)=O ZINC000264933891 532683882 /nfs/dbraw/zinc/68/38/82/532683882.db2.gz SZKCPFYVQRZIDC-UHFFFAOYSA-N 1 2 386.945 2.491 20 0 GEADLO COC(=O)CC1([NH2+]Cc2cc(-c3cccs3)on2)CCS(=O)(=O)CC1 ZINC000439255588 532685959 /nfs/dbraw/zinc/68/59/59/532685959.db2.gz FZKGWGPNATUTSW-UHFFFAOYSA-N 1 2 384.479 2.003 20 0 GEADLO CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000285503329 532686387 /nfs/dbraw/zinc/68/63/87/532686387.db2.gz FKKBHCUFUULFFS-CZUORRHYSA-N 1 2 385.555 2.091 20 0 GEADLO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000285503329 532686394 /nfs/dbraw/zinc/68/63/94/532686394.db2.gz FKKBHCUFUULFFS-CZUORRHYSA-N 1 2 385.555 2.091 20 0 GEADLO O=S(=O)(Cc1ccccc1Cl)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000660034739 532672081 /nfs/dbraw/zinc/67/20/81/532672081.db2.gz MNEAROTWGCBEAU-IAGOWNOFSA-N 1 2 384.929 2.403 20 0 GEADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000377900488 532672640 /nfs/dbraw/zinc/67/26/40/532672640.db2.gz GUECKEYEARCIGU-HNNXBMFYSA-N 1 2 382.917 2.146 20 0 GEADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000377900488 532672645 /nfs/dbraw/zinc/67/26/45/532672645.db2.gz GUECKEYEARCIGU-HNNXBMFYSA-N 1 2 382.917 2.146 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000298763412 532672964 /nfs/dbraw/zinc/67/29/64/532672964.db2.gz LLJVRAMIFLIKQA-GFCCVEGCSA-N 1 2 388.295 2.041 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@H](C)C1 ZINC000285347221 532673357 /nfs/dbraw/zinc/67/33/57/532673357.db2.gz PHIZQQZZAQZPKP-SECBINFHSA-N 1 2 382.711 2.212 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@H](C)C1 ZINC000285347221 532673362 /nfs/dbraw/zinc/67/33/62/532673362.db2.gz PHIZQQZZAQZPKP-SECBINFHSA-N 1 2 382.711 2.212 20 0 GEADLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@]2(CCOC2)O1 ZINC000483176294 532674207 /nfs/dbraw/zinc/67/42/07/532674207.db2.gz XCRPFPYBCIYUNA-MZMPZRCHSA-N 1 2 395.297 2.434 20 0 GEADLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@]2(CCOC2)O1 ZINC000483176294 532674212 /nfs/dbraw/zinc/67/42/12/532674212.db2.gz XCRPFPYBCIYUNA-MZMPZRCHSA-N 1 2 395.297 2.434 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378004294 532675820 /nfs/dbraw/zinc/67/58/20/532675820.db2.gz QKDHRADZNPIFGE-NSHDSACASA-N 1 2 377.242 2.093 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378004294 532675827 /nfs/dbraw/zinc/67/58/27/532675827.db2.gz QKDHRADZNPIFGE-NSHDSACASA-N 1 2 377.242 2.093 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000298806137 532676075 /nfs/dbraw/zinc/67/60/75/532676075.db2.gz HVVNKZCDQOUOHN-GFCCVEGCSA-N 1 2 384.479 2.243 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnc(Cl)c(Br)c1 ZINC000298795687 532676105 /nfs/dbraw/zinc/67/61/05/532676105.db2.gz WUJCNAFMDVONQG-SNVBAGLBSA-N 1 2 376.682 2.290 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1NCc1ccsc1 ZINC000285378536 532676239 /nfs/dbraw/zinc/67/62/39/532676239.db2.gz BGPFIXFLOKQUKR-UHFFFAOYSA-N 1 2 381.523 2.305 20 0 GEADLO Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000264472110 532676796 /nfs/dbraw/zinc/67/67/96/532676796.db2.gz UPXCQBUOLASDMV-LSDHHAIUSA-N 1 2 398.345 2.277 20 0 GEADLO CN(C)c1ccc(CNC(=O)c2cncc(I)c2)c[nH+]1 ZINC000535243296 532677977 /nfs/dbraw/zinc/67/79/77/532677977.db2.gz NEWNRGIIPUWQCM-UHFFFAOYSA-N 1 2 382.205 2.077 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@H+](C)Cc3n[nH]c(=O)o3)C2=O)ccc1Br ZINC000660845653 532677839 /nfs/dbraw/zinc/67/78/39/532677839.db2.gz SEROOJSXTBRJPM-ZDUSSCGKSA-N 1 2 395.257 2.474 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@@H+](C)Cc3n[nH]c(=O)o3)C2=O)ccc1Br ZINC000660845653 532677842 /nfs/dbraw/zinc/67/78/42/532677842.db2.gz SEROOJSXTBRJPM-ZDUSSCGKSA-N 1 2 395.257 2.474 20 0 GEADLO Cc1ccsc1-c1nnc(NC(=O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)o1 ZINC000535321776 532679742 /nfs/dbraw/zinc/67/97/42/532679742.db2.gz NQIOCNHEXFKPLI-NEPJUHHUSA-N 1 2 380.495 2.251 20 0 GEADLO Cc1ccsc1-c1nnc(NC(=O)C[N@H+]2CCS[C@H]3COCC[C@H]32)o1 ZINC000535321776 532679749 /nfs/dbraw/zinc/67/97/49/532679749.db2.gz NQIOCNHEXFKPLI-NEPJUHHUSA-N 1 2 380.495 2.251 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000438951417 532680139 /nfs/dbraw/zinc/68/01/39/532680139.db2.gz SNKAMVVOUIWVCI-ZDUSSCGKSA-N 1 2 388.555 2.304 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000438939664 532680186 /nfs/dbraw/zinc/68/01/86/532680186.db2.gz ZMXTVIMWCQBAOB-LBPRGKRZSA-N 1 2 379.869 2.147 20 0 GEADLO COc1cc(CNC(=O)N2CCn3c[nH+]cc3C2)cc(Br)c1OC ZINC000378124145 532680886 /nfs/dbraw/zinc/68/08/86/532680886.db2.gz WHEBJMCBXXCPMF-UHFFFAOYSA-N 1 2 395.257 2.388 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N[C@H](CO)c2cccc(Br)c2)c(C)[nH+]1 ZINC000484551750 532681144 /nfs/dbraw/zinc/68/11/44/532681144.db2.gz KFGZTRGNSAPPPD-OAHLLOKOSA-N 1 2 392.253 2.249 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCCOC1)c1cc(F)c(Cl)nc1Cl ZINC000378148761 532682134 /nfs/dbraw/zinc/68/21/34/532682134.db2.gz IFPVPYNBLBKQEJ-MRXNPFEDSA-N 1 2 392.258 2.139 20 0 GEADLO Cc1sc(Br)nc1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000298896214 532682424 /nfs/dbraw/zinc/68/24/24/532682424.db2.gz KENZCUDEPNEBKT-AOOOYVTPSA-N 1 2 376.320 2.395 20 0 GEADLO Cc1sc(Br)nc1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000298896214 532682432 /nfs/dbraw/zinc/68/24/32/532682432.db2.gz KENZCUDEPNEBKT-AOOOYVTPSA-N 1 2 376.320 2.395 20 0 GEADLO CCOC(=O)c1nc(SC[C@@H]2C[N@H+](C)CCO2)ccc1Br ZINC000603392252 532692350 /nfs/dbraw/zinc/69/23/50/532692350.db2.gz FNODUMUQUXTVDU-JTQLQIEISA-N 1 2 375.288 2.444 20 0 GEADLO CCOC(=O)c1nc(SC[C@@H]2C[N@@H+](C)CCO2)ccc1Br ZINC000603392252 532692358 /nfs/dbraw/zinc/69/23/58/532692358.db2.gz FNODUMUQUXTVDU-JTQLQIEISA-N 1 2 375.288 2.444 20 0 GEADLO COC(=O)C[C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000569273022 532693416 /nfs/dbraw/zinc/69/34/16/532693416.db2.gz HIFHVCVHNFSCGQ-LBPRGKRZSA-N 1 2 398.257 2.467 20 0 GEADLO COC(=O)C[C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000569273020 532693599 /nfs/dbraw/zinc/69/35/99/532693599.db2.gz HIFHVCVHNFSCGQ-GFCCVEGCSA-N 1 2 398.257 2.467 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000569257423 532694295 /nfs/dbraw/zinc/69/42/95/532694295.db2.gz XCYJEGKGABSYBR-OCCSQVGLSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000569257423 532694303 /nfs/dbraw/zinc/69/43/03/532694303.db2.gz XCYJEGKGABSYBR-OCCSQVGLSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000285665403 532696741 /nfs/dbraw/zinc/69/67/41/532696741.db2.gz PJZGCIYZQLOTKF-DOMZBBRYSA-N 1 2 391.331 2.102 20 0 GEADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCS(=O)(=O)N(C)C ZINC000285665403 532696749 /nfs/dbraw/zinc/69/67/49/532696749.db2.gz PJZGCIYZQLOTKF-DOMZBBRYSA-N 1 2 391.331 2.102 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)COc1ccc(Br)cc1 ZINC000285696576 532699855 /nfs/dbraw/zinc/69/98/55/532699855.db2.gz HETQCKVLHSDINH-HIFRSBDPSA-N 1 2 383.286 2.150 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000266035266 532701372 /nfs/dbraw/zinc/70/13/72/532701372.db2.gz FJXRMDJHHGLSRK-DLBZAZTESA-N 1 2 384.307 2.377 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000298951146 532687931 /nfs/dbraw/zinc/68/79/31/532687931.db2.gz AHGWIHHMFJTNIU-UHFFFAOYSA-N 1 2 388.295 2.043 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC=C(C(F)(F)F)CC1 ZINC000378272596 532688299 /nfs/dbraw/zinc/68/82/99/532688299.db2.gz NLGXQYBYMHRIIK-HNNXBMFYSA-N 1 2 379.448 2.098 20 0 GEADLO CC(C)[C@@H]1CN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000486112800 532688545 /nfs/dbraw/zinc/68/85/45/532688545.db2.gz AMIWROBZAPRKDD-INIZCTEOSA-N 1 2 387.933 2.095 20 0 GEADLO CC(C)[C@@H]1CN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000486112800 532688546 /nfs/dbraw/zinc/68/85/46/532688546.db2.gz AMIWROBZAPRKDD-INIZCTEOSA-N 1 2 387.933 2.095 20 0 GEADLO Cn1c[nH+]cc1CCN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000663966268 532689271 /nfs/dbraw/zinc/68/92/71/532689271.db2.gz VKINXJYROYBMCA-KRWDZBQOSA-N 1 2 376.254 2.442 20 0 GEADLO CN(C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C1)S(C)(=O)=O ZINC000285535547 532689365 /nfs/dbraw/zinc/68/93/65/532689365.db2.gz HSAMBBANWQTDDY-LBPRGKRZSA-N 1 2 391.896 2.021 20 0 GEADLO CN(C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C1)S(C)(=O)=O ZINC000285535547 532689369 /nfs/dbraw/zinc/68/93/69/532689369.db2.gz HSAMBBANWQTDDY-LBPRGKRZSA-N 1 2 391.896 2.021 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c(Cl)c1 ZINC000285546124 532690401 /nfs/dbraw/zinc/69/04/01/532690401.db2.gz IJOKXRIUQWQNMY-AWEZNQCLSA-N 1 2 387.933 2.190 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c(Cl)c1 ZINC000285546124 532690409 /nfs/dbraw/zinc/69/04/09/532690409.db2.gz IJOKXRIUQWQNMY-AWEZNQCLSA-N 1 2 387.933 2.190 20 0 GEADLO O=C(C[NH+]1CCC2(CC2)CC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000378328385 532691190 /nfs/dbraw/zinc/69/11/90/532691190.db2.gz WIZKZUOEVJHBNT-HNNXBMFYSA-N 1 2 382.551 2.140 20 0 GEADLO COC[C@@]1(C(N)=O)CCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000643825928 532707235 /nfs/dbraw/zinc/70/72/35/532707235.db2.gz APUCCOVYNVDONZ-PIGZYNQJSA-N 1 2 388.295 2.137 20 0 GEADLO COC[C@@]1(C(N)=O)CCC[N@H+]1CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000643825928 532707238 /nfs/dbraw/zinc/70/72/38/532707238.db2.gz APUCCOVYNVDONZ-PIGZYNQJSA-N 1 2 388.295 2.137 20 0 GEADLO CCOc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1Br ZINC000572642249 532709029 /nfs/dbraw/zinc/70/90/29/532709029.db2.gz VNPDCYGOANDXDE-LLVKDONJSA-N 1 2 399.257 2.075 20 0 GEADLO CN(CCc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494209232 532713890 /nfs/dbraw/zinc/71/38/90/532713890.db2.gz QAJAKEBCXAIZMN-QGZVFWFLSA-N 1 2 396.329 2.496 20 0 GEADLO CN(CCc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494209232 532713893 /nfs/dbraw/zinc/71/38/93/532713893.db2.gz QAJAKEBCXAIZMN-QGZVFWFLSA-N 1 2 396.329 2.496 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCc2c(Br)cccc2C1 ZINC000494189238 532714513 /nfs/dbraw/zinc/71/45/13/532714513.db2.gz PXDDBHFOAZPBJW-OAHLLOKOSA-N 1 2 394.313 2.380 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCc2c(Br)cccc2C1 ZINC000494189238 532714515 /nfs/dbraw/zinc/71/45/15/532714515.db2.gz PXDDBHFOAZPBJW-OAHLLOKOSA-N 1 2 394.313 2.380 20 0 GEADLO O=C1NCC[C@@]12CCC[N@H+]2Cc1nc(-c2cccc(Br)c2)no1 ZINC000574582230 532714943 /nfs/dbraw/zinc/71/49/43/532714943.db2.gz VFBJWOFMUPYPNU-INIZCTEOSA-N 1 2 377.242 2.354 20 0 GEADLO O=C1NCC[C@@]12CCC[N@@H+]2Cc1nc(-c2cccc(Br)c2)no1 ZINC000574582230 532714949 /nfs/dbraw/zinc/71/49/49/532714949.db2.gz VFBJWOFMUPYPNU-INIZCTEOSA-N 1 2 377.242 2.354 20 0 GEADLO CCN(C(C)=O)c1nc(C[N@@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)cs1 ZINC000646109733 532722655 /nfs/dbraw/zinc/72/26/55/532722655.db2.gz YBEXECIJWOQZCC-AWEZNQCLSA-N 1 2 378.420 2.016 20 0 GEADLO CCN(C(C)=O)c1nc(C[N@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)cs1 ZINC000646109733 532722663 /nfs/dbraw/zinc/72/26/63/532722663.db2.gz YBEXECIJWOQZCC-AWEZNQCLSA-N 1 2 378.420 2.016 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000646111577 532722681 /nfs/dbraw/zinc/72/26/81/532722681.db2.gz QEQMUZIFUCEKIS-CQSZACIVSA-N 1 2 381.757 2.418 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000646111577 532722687 /nfs/dbraw/zinc/72/26/87/532722687.db2.gz QEQMUZIFUCEKIS-CQSZACIVSA-N 1 2 381.757 2.418 20 0 GEADLO CCC[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C(N)=O ZINC000576144783 532724940 /nfs/dbraw/zinc/72/49/40/532724940.db2.gz GYWUNUFKOWHLPN-LSDHHAIUSA-N 1 2 382.302 2.356 20 0 GEADLO Cc1n[nH]cc1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000576203341 532727745 /nfs/dbraw/zinc/72/77/45/532727745.db2.gz GSLDHFJEHDULIQ-UHFFFAOYSA-N 1 2 381.234 2.356 20 0 GEADLO COC(=O)C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000299616591 532730087 /nfs/dbraw/zinc/73/00/87/532730087.db2.gz PPUONSNJKDCLGZ-AWEZNQCLSA-N 1 2 380.242 2.456 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000266973941 532731369 /nfs/dbraw/zinc/73/13/69/532731369.db2.gz APHJLDQBVOWCNS-YOEHRIQHSA-N 1 2 386.945 2.491 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000266973941 532731378 /nfs/dbraw/zinc/73/13/78/532731378.db2.gz APHJLDQBVOWCNS-YOEHRIQHSA-N 1 2 386.945 2.491 20 0 GEADLO O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673782018 532731741 /nfs/dbraw/zinc/73/17/41/532731741.db2.gz MNHPEGLPNKYFRY-CYBMUJFWSA-N 1 2 386.279 2.255 20 0 GEADLO Cn1cc[nH+]c1CNS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645644549 532719252 /nfs/dbraw/zinc/71/92/52/532719252.db2.gz HFZQJWCUAWSINZ-UHFFFAOYSA-N 1 2 378.679 2.456 20 0 GEADLO O=C(NCCSCC(F)(F)F)NCc1ccc[nH+]c1N1CCOCC1 ZINC000538775874 532719363 /nfs/dbraw/zinc/71/93/63/532719363.db2.gz NYMAVRHDLYFJJO-UHFFFAOYSA-N 1 2 378.420 2.013 20 0 GEADLO O[C@@H](COC[C@H]1CCCO1)C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000676410871 532743671 /nfs/dbraw/zinc/74/36/71/532743671.db2.gz HMVFXDIZXBHYOF-CHWSQXEVSA-N 1 2 376.316 2.425 20 0 GEADLO O[C@@H](COC[C@H]1CCCO1)C[N@H+]1CCc2sc(Br)cc2C1 ZINC000676410871 532743678 /nfs/dbraw/zinc/74/36/78/532743678.db2.gz HMVFXDIZXBHYOF-CHWSQXEVSA-N 1 2 376.316 2.425 20 0 GEADLO C[C@H]([NH2+]Cc1ncc(I)s1)C(=O)NCc1ccco1 ZINC000286403426 532744136 /nfs/dbraw/zinc/74/41/36/532744136.db2.gz HORMZHGYDCPWFK-QMMMGPOBSA-N 1 2 391.234 2.135 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NC[C@@H]1COc2ccccc2O1 ZINC000301204065 532744665 /nfs/dbraw/zinc/74/46/65/532744665.db2.gz XZKBQONZDSAKSU-SECBINFHSA-N 1 2 376.214 2.378 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(Nc2ncnc3sc4c(c32)CCC4)CC1 ZINC000301210778 532745074 /nfs/dbraw/zinc/74/50/74/532745074.db2.gz UUVROTOKAPVTOX-UHFFFAOYSA-N 1 2 380.539 2.101 20 0 GEADLO O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CCn2c[nH+]cc2C1 ZINC000615039825 532745149 /nfs/dbraw/zinc/74/51/49/532745149.db2.gz SKYMLHHGZAYORZ-CABCVRRESA-N 1 2 377.242 2.161 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(CS(C)(=O)=O)no1)c1ccc(Br)s1 ZINC000443339139 532745515 /nfs/dbraw/zinc/74/55/15/532745515.db2.gz GSSJWVUGFFHOSO-SSDOTTSWSA-N 1 2 380.289 2.289 20 0 GEADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ncccc2S(N)(=O)=O)CC1 ZINC000301235145 532746476 /nfs/dbraw/zinc/74/64/76/532746476.db2.gz LGBFNYGEJBAIGR-ZDUSSCGKSA-N 1 2 380.901 2.266 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000580453047 532746685 /nfs/dbraw/zinc/74/66/85/532746685.db2.gz LTFKIROEJTWKKU-ZDUSSCGKSA-N 1 2 375.281 2.284 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000580453047 532746690 /nfs/dbraw/zinc/74/66/90/532746690.db2.gz LTFKIROEJTWKKU-ZDUSSCGKSA-N 1 2 375.281 2.284 20 0 GEADLO O=C(c1cn2ccc(Br)cc2n1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000286209805 532733466 /nfs/dbraw/zinc/73/34/66/532733466.db2.gz RYQSVZADVHJRTF-AWEZNQCLSA-N 1 2 393.285 2.034 20 0 GEADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613634273 532733570 /nfs/dbraw/zinc/73/35/70/532733570.db2.gz HVYHFUAMYLTGSS-SMDDNHRTSA-N 1 2 384.889 2.465 20 0 GEADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613634273 532733573 /nfs/dbraw/zinc/73/35/73/532733573.db2.gz HVYHFUAMYLTGSS-SMDDNHRTSA-N 1 2 384.889 2.465 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000267140696 532734364 /nfs/dbraw/zinc/73/43/64/532734364.db2.gz XUYPDQJISBNWJA-LLVKDONJSA-N 1 2 377.242 2.150 20 0 GEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000540043210 532734491 /nfs/dbraw/zinc/73/44/91/532734491.db2.gz RPWQVWXSZXYUDX-QWHCGFSZSA-N 1 2 375.332 2.247 20 0 GEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000540043210 532734497 /nfs/dbraw/zinc/73/44/97/532734497.db2.gz RPWQVWXSZXYUDX-QWHCGFSZSA-N 1 2 375.332 2.247 20 0 GEADLO O=S(=O)(NCc1[nH+]ccn1CC(F)(F)F)c1cnccc1C(F)(F)F ZINC000442758094 532734691 /nfs/dbraw/zinc/73/46/91/532734691.db2.gz NWJZWFPJQRNYNY-UHFFFAOYSA-N 1 2 388.293 2.338 20 0 GEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000540052046 532734714 /nfs/dbraw/zinc/73/47/14/532734714.db2.gz FIRZBVWPLGMFJE-CHWSQXEVSA-N 1 2 375.332 2.247 20 0 GEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000540052046 532734718 /nfs/dbraw/zinc/73/47/18/532734718.db2.gz FIRZBVWPLGMFJE-CHWSQXEVSA-N 1 2 375.332 2.247 20 0 GEADLO COCc1cnc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)s1 ZINC000540069979 532735114 /nfs/dbraw/zinc/73/51/14/532735114.db2.gz OZYZODRTMDMTQZ-UHFFFAOYSA-N 1 2 381.523 2.364 20 0 GEADLO CS(=O)(=O)c1nnc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000286225665 532735366 /nfs/dbraw/zinc/73/53/66/532735366.db2.gz RBWSZBMRPAOSRP-DGCLKSJQSA-N 1 2 391.877 2.354 20 0 GEADLO CC(C)(CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)S(C)(=O)=O ZINC000674023192 532735379 /nfs/dbraw/zinc/73/53/79/532735379.db2.gz SEATXWOSBYURBX-UHFFFAOYSA-N 1 2 385.555 2.180 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000674033154 532735595 /nfs/dbraw/zinc/73/55/95/532735595.db2.gz FUIHRXTZCLKMRC-AWEZNQCLSA-N 1 2 375.922 2.065 20 0 GEADLO O=S(=O)([C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCOCC1 ZINC000501148314 532738512 /nfs/dbraw/zinc/73/85/12/532738512.db2.gz GSGKTPBCFNPTKM-HNNXBMFYSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)([C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCOCC1 ZINC000501148314 532738517 /nfs/dbraw/zinc/73/85/17/532738517.db2.gz GSGKTPBCFNPTKM-HNNXBMFYSA-N 1 2 376.881 2.106 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cc(OC)ccc2Cl)CC[N@@H+]1CCOC ZINC000501156751 532738844 /nfs/dbraw/zinc/73/88/44/532738844.db2.gz PHUKCCKYYNHWRU-AWEZNQCLSA-N 1 2 390.933 2.470 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2cc(OC)ccc2Cl)CC[N@H+]1CCOC ZINC000501156751 532738850 /nfs/dbraw/zinc/73/88/50/532738850.db2.gz PHUKCCKYYNHWRU-AWEZNQCLSA-N 1 2 390.933 2.470 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1)N1CCOCC1 ZINC000445806615 532754155 /nfs/dbraw/zinc/75/41/55/532754155.db2.gz XXNZWUQWEBFDOF-OAHLLOKOSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)([C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1)N1CCOCC1 ZINC000445806615 532754157 /nfs/dbraw/zinc/75/41/57/532754157.db2.gz XXNZWUQWEBFDOF-OAHLLOKOSA-N 1 2 376.881 2.106 20 0 GEADLO Cc1cc(Br)cn2c(C[N@H+](C)C[C@H]3CCS(=O)(=O)C3)cnc12 ZINC000541534397 532754340 /nfs/dbraw/zinc/75/43/40/532754340.db2.gz PDFFHLBQTXVLGP-GFCCVEGCSA-N 1 2 386.315 2.272 20 0 GEADLO Cc1cc(Br)cn2c(C[N@@H+](C)C[C@H]3CCS(=O)(=O)C3)cnc12 ZINC000541534397 532754345 /nfs/dbraw/zinc/75/43/45/532754345.db2.gz PDFFHLBQTXVLGP-GFCCVEGCSA-N 1 2 386.315 2.272 20 0 GEADLO Cc1cc(Br)cn2c(CN(C)C[C@H]3CCS(=O)(=O)C3)c[nH+]c12 ZINC000541534397 532754350 /nfs/dbraw/zinc/75/43/50/532754350.db2.gz PDFFHLBQTXVLGP-GFCCVEGCSA-N 1 2 386.315 2.272 20 0 GEADLO C[C@H]1c2cccc(Br)c2CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000506845140 532754883 /nfs/dbraw/zinc/75/48/83/532754883.db2.gz BITYRZUSAQYZIP-ZDUSSCGKSA-N 1 2 382.302 2.410 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC12CCS(=O)(=O)CC2)c1ccc(Cl)cc1 ZINC000581507349 532756924 /nfs/dbraw/zinc/75/69/24/532756924.db2.gz TWJPQCQUDVRBOH-CVEARBPZSA-N 1 2 384.929 2.274 20 0 GEADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000541642094 532757519 /nfs/dbraw/zinc/75/75/19/532757519.db2.gz BHJUUEJUIBMETH-UONOGXRCSA-N 1 2 387.571 2.028 20 0 GEADLO CC(=O)N1CCCC[C@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000507774328 532759550 /nfs/dbraw/zinc/75/95/50/532759550.db2.gz XDKWERRXFYVXLX-AWEZNQCLSA-N 1 2 379.258 2.114 20 0 GEADLO Nc1c(NCC(=O)Nc2ccc(Br)cc2)[nH+]cnc1-n1cccn1 ZINC000301795026 532760178 /nfs/dbraw/zinc/76/01/78/532760178.db2.gz SWCQEQGUISQBQA-UHFFFAOYSA-N 1 2 388.229 2.058 20 0 GEADLO CSc1cc(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)ccc1Cl ZINC000411479731 532762646 /nfs/dbraw/zinc/76/26/46/532762646.db2.gz WHRGUMUTABTFNT-LBPRGKRZSA-N 1 2 385.917 2.180 20 0 GEADLO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CCOc2cc[nH+]cc21 ZINC000540901636 532748334 /nfs/dbraw/zinc/74/83/34/532748334.db2.gz QFIOWGSMOSJUBV-UHFFFAOYSA-N 1 2 375.328 2.005 20 0 GEADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000580517361 532749200 /nfs/dbraw/zinc/74/92/00/532749200.db2.gz DOOGYUSHZDVQDD-ZANVPECISA-N 1 2 379.873 2.058 20 0 GEADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000580517359 532749426 /nfs/dbraw/zinc/74/94/26/532749426.db2.gz DOOGYUSHZDVQDD-RNCFNFMXSA-N 1 2 379.873 2.058 20 0 GEADLO O=S(=O)(NCC[NH+]1CCC1)c1ccc(Br)cc1C(F)(F)F ZINC000443727054 532749682 /nfs/dbraw/zinc/74/96/82/532749682.db2.gz ZUQLHJLKHMUEQT-UHFFFAOYSA-N 1 2 387.221 2.452 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000541126946 532749692 /nfs/dbraw/zinc/74/96/92/532749692.db2.gz OEEZLLCDYUWLHN-ZDUSSCGKSA-N 1 2 385.302 2.227 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000541126946 532749697 /nfs/dbraw/zinc/74/96/97/532749697.db2.gz OEEZLLCDYUWLHN-ZDUSSCGKSA-N 1 2 385.302 2.227 20 0 GEADLO CN(C)c1nccc(C[N@H+](C)CC(=O)Nc2ccccc2Br)n1 ZINC000541200934 532750332 /nfs/dbraw/zinc/75/03/32/532750332.db2.gz OTYPCDVOUKSNCP-UHFFFAOYSA-N 1 2 378.274 2.376 20 0 GEADLO CN(C)c1nccc(C[N@@H+](C)CC(=O)Nc2ccccc2Br)n1 ZINC000541200934 532750337 /nfs/dbraw/zinc/75/03/37/532750337.db2.gz OTYPCDVOUKSNCP-UHFFFAOYSA-N 1 2 378.274 2.376 20 0 GEADLO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000444690707 532750899 /nfs/dbraw/zinc/75/08/99/532750899.db2.gz APFWOATZTJVKJB-IYBDPMFKSA-N 1 2 378.881 2.467 20 0 GEADLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000444690707 532750904 /nfs/dbraw/zinc/75/09/04/532750904.db2.gz APFWOATZTJVKJB-IYBDPMFKSA-N 1 2 378.881 2.467 20 0 GEADLO C[C@@H]1CN(C(=O)CCCC(=O)c2ccc(Br)cc2)CC[N@@H+]1CCO ZINC000506253350 532753209 /nfs/dbraw/zinc/75/32/09/532753209.db2.gz HYDXLXIMDVSJEJ-CQSZACIVSA-N 1 2 397.313 2.327 20 0 GEADLO C[C@@H]1CN(C(=O)CCCC(=O)c2ccc(Br)cc2)CC[N@H+]1CCO ZINC000506253350 532753215 /nfs/dbraw/zinc/75/32/15/532753215.db2.gz HYDXLXIMDVSJEJ-CQSZACIVSA-N 1 2 397.313 2.327 20 0 GEADLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000286529712 532753386 /nfs/dbraw/zinc/75/33/86/532753386.db2.gz RDLHLZAKIUMAFP-UHFFFAOYSA-N 1 2 389.901 2.161 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCc1ccc([S@](C)=O)cc1 ZINC000301544668 532753689 /nfs/dbraw/zinc/75/36/89/532753689.db2.gz OLZQDQGUDAPZAR-QFIPXVFZSA-N 1 2 380.271 2.475 20 0 GEADLO C[C@H](CC[S@](C)=O)Nc1nc(N[C@@H](C)CC[S@](C)=O)c(Cl)c[nH+]1 ZINC000269019872 532775348 /nfs/dbraw/zinc/77/53/48/532775348.db2.gz DYGWUEMUJILATF-BYKPWARZSA-N 1 2 380.967 2.268 20 0 GEADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)n1 ZINC000542581294 532775575 /nfs/dbraw/zinc/77/55/75/532775575.db2.gz VDEWVECEOREIIY-SECBINFHSA-N 1 2 388.902 2.042 20 0 GEADLO C[C@H](CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccc(Br)cc1 ZINC000269247524 532777356 /nfs/dbraw/zinc/77/73/56/532777356.db2.gz CHCYHXCSFLBDGJ-CYBMUJFWSA-N 1 2 396.329 2.351 20 0 GEADLO Cc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(Br)n1 ZINC000286982019 532777470 /nfs/dbraw/zinc/77/74/70/532777470.db2.gz FSSNDXQDMQZGSR-CHWSQXEVSA-N 1 2 383.290 2.479 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000512282256 532777649 /nfs/dbraw/zinc/77/76/49/532777649.db2.gz UMWUTBXOTQMBFE-JTQLQIEISA-N 1 2 399.822 2.050 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000512282256 532777653 /nfs/dbraw/zinc/77/76/53/532777653.db2.gz UMWUTBXOTQMBFE-JTQLQIEISA-N 1 2 399.822 2.050 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000512282257 532777900 /nfs/dbraw/zinc/77/79/00/532777900.db2.gz UMWUTBXOTQMBFE-SNVBAGLBSA-N 1 2 399.822 2.050 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000512282257 532777903 /nfs/dbraw/zinc/77/79/03/532777903.db2.gz UMWUTBXOTQMBFE-SNVBAGLBSA-N 1 2 399.822 2.050 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000313499853 532779565 /nfs/dbraw/zinc/77/95/65/532779565.db2.gz VGJVEODSIHAMSO-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO CSc1nc2ncnc(Nc3cnn(CC[NH+]4CCOCC4)c3)c2s1 ZINC000301945682 532763500 /nfs/dbraw/zinc/76/35/00/532763500.db2.gz BFRFNJOSRHQDPJ-UHFFFAOYSA-N 1 2 377.499 2.081 20 0 GEADLO O=C(NCCn1cc(Br)cn1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000286716721 532763923 /nfs/dbraw/zinc/76/39/23/532763923.db2.gz UYBZLXFGKBLPFY-UHFFFAOYSA-N 1 2 393.289 2.140 20 0 GEADLO O=S(=O)(NCc1[nH+]ccn1CC(F)(F)F)c1ccc(C(F)(F)F)nc1 ZINC000542052014 532764203 /nfs/dbraw/zinc/76/42/03/532764203.db2.gz RMQRYYPVCHXTMG-UHFFFAOYSA-N 1 2 388.293 2.338 20 0 GEADLO NC(=O)C[NH+]1CCN(c2ccc3cc(Br)cc(Cl)c3n2)CC1 ZINC000302015191 532764261 /nfs/dbraw/zinc/76/42/61/532764261.db2.gz LKLSEFWPPXKYHR-UHFFFAOYSA-N 1 2 383.677 2.258 20 0 GEADLO O=C(N=c1nc(-c2cccnc2)[nH]s1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000583368040 532765112 /nfs/dbraw/zinc/76/51/12/532765112.db2.gz PWGWTONPBJPHHE-AWEZNQCLSA-N 1 2 375.523 2.178 20 0 GEADLO Cc1nc(NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1Br ZINC000302065965 532765847 /nfs/dbraw/zinc/76/58/47/532765847.db2.gz FBFQMORELLVWPT-UHFFFAOYSA-N 1 2 376.320 2.073 20 0 GEADLO Cn1ncc2c1nc[nH+]c2NCCOc1ccc(I)cc1 ZINC000509074232 532766667 /nfs/dbraw/zinc/76/66/67/532766667.db2.gz IHSJPERDSJAKMY-UHFFFAOYSA-N 1 2 395.204 2.459 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000542248394 532767913 /nfs/dbraw/zinc/76/79/13/532767913.db2.gz DECZSXQICCIDMN-MRCXROJRSA-N 1 2 387.263 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000542248394 532767915 /nfs/dbraw/zinc/76/79/15/532767915.db2.gz DECZSXQICCIDMN-MRCXROJRSA-N 1 2 387.263 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000542248391 532767922 /nfs/dbraw/zinc/76/79/22/532767922.db2.gz DECZSXQICCIDMN-DUFXMDAXSA-N 1 2 387.263 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000542248391 532767927 /nfs/dbraw/zinc/76/79/27/532767927.db2.gz DECZSXQICCIDMN-DUFXMDAXSA-N 1 2 387.263 2.421 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCCCS1(=O)=O)c1ccsc1 ZINC000542254949 532768673 /nfs/dbraw/zinc/76/86/73/532768673.db2.gz TXZFXKFCIXKMSR-HOTGVXAUSA-N 1 2 387.571 2.398 20 0 GEADLO O=C(NCC(F)F)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1Cl ZINC000451795942 532770107 /nfs/dbraw/zinc/77/01/07/532770107.db2.gz KFUUPNNLYLZYLZ-OCCSQVGLSA-N 1 2 376.831 2.316 20 0 GEADLO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1Cl ZINC000451795942 532770112 /nfs/dbraw/zinc/77/01/12/532770112.db2.gz KFUUPNNLYLZYLZ-OCCSQVGLSA-N 1 2 376.831 2.316 20 0 GEADLO O=C1C[N@H+](Cc2cccc(NCc3ncc(Br)s3)c2)CCN1 ZINC000584563505 532770406 /nfs/dbraw/zinc/77/04/06/532770406.db2.gz FVTGGQZSAARXSN-UHFFFAOYSA-N 1 2 381.299 2.450 20 0 GEADLO O=C1C[N@@H+](Cc2cccc(NCc3ncc(Br)s3)c2)CCN1 ZINC000584563505 532770409 /nfs/dbraw/zinc/77/04/09/532770409.db2.gz FVTGGQZSAARXSN-UHFFFAOYSA-N 1 2 381.299 2.450 20 0 GEADLO CN(Cc1ccc(Br)s1)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000302263486 532770458 /nfs/dbraw/zinc/77/04/58/532770458.db2.gz DZTJZFOPDQFSAH-UHFFFAOYSA-N 1 2 396.314 2.215 20 0 GEADLO CN(Cc1ccc(Br)s1)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000302263486 532770465 /nfs/dbraw/zinc/77/04/65/532770465.db2.gz DZTJZFOPDQFSAH-UHFFFAOYSA-N 1 2 396.314 2.215 20 0 GEADLO COCC[C@H](CO)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000302311974 532770527 /nfs/dbraw/zinc/77/05/27/532770527.db2.gz OXQCRLXPIKZNMJ-SECBINFHSA-N 1 2 383.080 2.404 20 0 GEADLO CS[C@@H](CNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)(C)C ZINC000588970807 532773175 /nfs/dbraw/zinc/77/31/75/532773175.db2.gz WBMFZZCZCUSROT-HNNXBMFYSA-N 1 2 383.583 2.286 20 0 GEADLO Cc1c(Br)cccc1NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000589003901 532773206 /nfs/dbraw/zinc/77/32/06/532773206.db2.gz OXIAACPTOCQXEO-UHFFFAOYSA-N 1 2 379.258 2.489 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000456490975 532782298 /nfs/dbraw/zinc/78/22/98/532782298.db2.gz QNGGWMMGVSJYJD-LLVKDONJSA-N 1 2 384.249 2.211 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000456490975 532782299 /nfs/dbraw/zinc/78/22/99/532782299.db2.gz QNGGWMMGVSJYJD-LLVKDONJSA-N 1 2 384.249 2.211 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287075702 532782676 /nfs/dbraw/zinc/78/26/76/532782676.db2.gz LOQYBYOPNHDCRF-AAEUAGOBSA-N 1 2 383.290 2.479 20 0 GEADLO OC[C@@H]([NH2+]Cc1noc(Cc2ccc(Br)cc2)n1)[C@H]1CCCOC1 ZINC000411982528 532782978 /nfs/dbraw/zinc/78/29/78/532782978.db2.gz BLAGYQMPWXWCFZ-DZGCQCFKSA-N 1 2 396.285 2.300 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)Cc1cccc(Br)c1C ZINC000456738291 532783867 /nfs/dbraw/zinc/78/38/67/532783867.db2.gz YEJOAENRFFLHDO-ZDUSSCGKSA-N 1 2 380.286 2.299 20 0 GEADLO Cc1[nH]c[nH+]c1CC(=O)NC[C@@H](CO)Cc1cccc(Br)c1C ZINC000456738291 532783870 /nfs/dbraw/zinc/78/38/70/532783870.db2.gz YEJOAENRFFLHDO-ZDUSSCGKSA-N 1 2 380.286 2.299 20 0 GEADLO COc1nc(N2CC[NH+](Cc3cnccc3C)CC2)ncc1Br ZINC000269596190 532784267 /nfs/dbraw/zinc/78/42/67/532784267.db2.gz JQHJFFSZULQMIJ-UHFFFAOYSA-N 1 2 378.274 2.273 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2nc3ccc(C)cc3s2)C1 ZINC000412083860 532785475 /nfs/dbraw/zinc/78/54/75/532785475.db2.gz SSECCWIJEBKUQL-LBPRGKRZSA-N 1 2 379.507 2.381 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2nc3ccc(C)cc3s2)C1 ZINC000412083860 532785478 /nfs/dbraw/zinc/78/54/78/532785478.db2.gz SSECCWIJEBKUQL-LBPRGKRZSA-N 1 2 379.507 2.381 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Br)c(Cl)c1 ZINC000319303929 532785696 /nfs/dbraw/zinc/78/56/96/532785696.db2.gz DARPZJOKPWDLFJ-LBPRGKRZSA-N 1 2 386.633 2.340 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Br)c(Cl)c1 ZINC000319303929 532785698 /nfs/dbraw/zinc/78/56/98/532785698.db2.gz DARPZJOKPWDLFJ-LBPRGKRZSA-N 1 2 386.633 2.340 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc4nncn4c3)[nH+]c12 ZINC000546822815 532785802 /nfs/dbraw/zinc/78/58/02/532785802.db2.gz FNKVXXSVPYGKSG-UHFFFAOYSA-N 1 2 399.252 2.420 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Br)cc1Cl ZINC000319546174 532786272 /nfs/dbraw/zinc/78/62/72/532786272.db2.gz RHMMVWXINRRXAK-LBPRGKRZSA-N 1 2 386.633 2.340 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Br)cc1Cl ZINC000319546174 532786276 /nfs/dbraw/zinc/78/62/76/532786276.db2.gz RHMMVWXINRRXAK-LBPRGKRZSA-N 1 2 386.633 2.340 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000269713955 532787835 /nfs/dbraw/zinc/78/78/35/532787835.db2.gz DDAXNILIFLSFII-UHFFFAOYSA-N 1 2 383.857 2.418 20 0 GEADLO C[C@H](C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)[NH+]1CCSCC1 ZINC000269721039 532788526 /nfs/dbraw/zinc/78/85/26/532788526.db2.gz XNPSKXMJSVVOHK-GFCCVEGCSA-N 1 2 379.507 2.258 20 0 GEADLO O=S(=O)(c1cccc2c1N=S=N2)N1CC[NH+](CCOC2CCC2)CC1 ZINC000287292462 532789524 /nfs/dbraw/zinc/78/95/24/532789524.db2.gz MFCOYDAZHOAHFV-UHFFFAOYSA-N 1 2 382.511 2.288 20 0 GEADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000412398072 532790476 /nfs/dbraw/zinc/79/04/76/532790476.db2.gz KOCASLFREJXWTR-LBPRGKRZSA-N 1 2 384.889 2.102 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CC[C@@](O)(C(F)F)C1 ZINC000457931528 532791531 /nfs/dbraw/zinc/79/15/31/532791531.db2.gz BJIYFDVUSUBVEZ-AWEZNQCLSA-N 1 2 389.200 2.008 20 0 GEADLO CC1(CC(F)(F)F)CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000457927354 532791871 /nfs/dbraw/zinc/79/18/71/532791871.db2.gz FLEHZRYDWYMFHX-OAHLLOKOSA-N 1 2 381.464 2.178 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000412433812 532792373 /nfs/dbraw/zinc/79/23/73/532792373.db2.gz DPIIBSVHMUKDSC-UHFFFAOYSA-N 1 2 389.265 2.007 20 0 GEADLO O=C([C@@H]1COc2ccc(Br)cc21)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000328664655 532794350 /nfs/dbraw/zinc/79/43/50/532794350.db2.gz YQCDHPDIVWVLCY-CVEARBPZSA-N 1 2 388.265 2.493 20 0 GEADLO CCC[C@H](O)[C@@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000412522268 532794381 /nfs/dbraw/zinc/79/43/81/532794381.db2.gz JKOFQGKDJFAOSB-IXDOHACOSA-N 1 2 399.329 2.224 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000412547220 532794753 /nfs/dbraw/zinc/79/47/53/532794753.db2.gz FIJMGBQATDVRPS-UHFFFAOYSA-N 1 2 381.523 2.291 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000328676837 532795057 /nfs/dbraw/zinc/79/50/57/532795057.db2.gz LQAWEQYDOUYIHY-NEPJUHHUSA-N 1 2 384.502 2.419 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000328676837 532795061 /nfs/dbraw/zinc/79/50/61/532795061.db2.gz LQAWEQYDOUYIHY-NEPJUHHUSA-N 1 2 384.502 2.419 20 0 GEADLO COc1cc(Br)ccc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287425899 532795143 /nfs/dbraw/zinc/79/51/43/532795143.db2.gz QLDUXBUDFAWDNB-JSGCOSHPSA-N 1 2 383.286 2.393 20 0 GEADLO CCn1cnc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000328722832 532796437 /nfs/dbraw/zinc/79/64/37/532796437.db2.gz AFXOUTLRSGFIRF-GOEBONIOSA-N 1 2 386.880 2.419 20 0 GEADLO CCn1cnc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000328722832 532796441 /nfs/dbraw/zinc/79/64/41/532796441.db2.gz AFXOUTLRSGFIRF-GOEBONIOSA-N 1 2 386.880 2.419 20 0 GEADLO O=[S@](CC[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)c1ccccc1 ZINC000329455999 532806912 /nfs/dbraw/zinc/80/69/12/532806912.db2.gz NDULNROUGAVDRW-HOYKHHGWSA-N 1 2 384.567 2.121 20 0 GEADLO O=[S@](CC[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)c1ccccc1 ZINC000329455999 532806915 /nfs/dbraw/zinc/80/69/15/532806915.db2.gz NDULNROUGAVDRW-HOYKHHGWSA-N 1 2 384.567 2.121 20 0 GEADLO O=C(c1nccn2c(Br)cnc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000271295178 532807248 /nfs/dbraw/zinc/80/72/48/532807248.db2.gz PXVZFCXLLUCINU-UHFFFAOYSA-N 1 2 375.230 2.166 20 0 GEADLO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000413137224 532807357 /nfs/dbraw/zinc/80/73/57/532807357.db2.gz YVSZPUFLYDIEJQ-GFCCVEGCSA-N 1 2 384.889 2.218 20 0 GEADLO O=[S@@](CC[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)c1ccccc1 ZINC000329456000 532807432 /nfs/dbraw/zinc/80/74/32/532807432.db2.gz NDULNROUGAVDRW-KOSHJBKYSA-N 1 2 384.567 2.121 20 0 GEADLO O=[S@@](CC[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)c1ccccc1 ZINC000329456000 532807434 /nfs/dbraw/zinc/80/74/34/532807434.db2.gz NDULNROUGAVDRW-KOSHJBKYSA-N 1 2 384.567 2.121 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)C1CCC(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC000329618345 532809212 /nfs/dbraw/zinc/80/92/12/532809212.db2.gz SWFVCNIOUODOBZ-NRXISQOPSA-N 1 2 386.480 2.384 20 0 GEADLO CO[C@@]1(CNC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)CCOC1 ZINC000460996439 532798936 /nfs/dbraw/zinc/79/89/36/532798936.db2.gz MTDCSDXVZYMBOI-MRXNPFEDSA-N 1 2 397.273 2.010 20 0 GEADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(F)c1I ZINC000551921725 532802606 /nfs/dbraw/zinc/80/26/06/532802606.db2.gz IASONUJCGFMRDX-MRVPVSSYSA-N 1 2 385.180 2.441 20 0 GEADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(F)c1I ZINC000551921725 532802609 /nfs/dbraw/zinc/80/26/09/532802609.db2.gz IASONUJCGFMRDX-MRVPVSSYSA-N 1 2 385.180 2.441 20 0 GEADLO CC[C@@H](C(=O)OC)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000413812176 532815446 /nfs/dbraw/zinc/81/54/46/532815446.db2.gz YICBKLNYEABELF-CYBMUJFWSA-N 1 2 398.257 2.467 20 0 GEADLO Cc1cc2c(cc1S(=O)(=O)N1CC[NH+](Cc3cccs3)CC1)OCO2 ZINC000330034705 532813625 /nfs/dbraw/zinc/81/36/25/532813625.db2.gz BDYQSTAHIAAZRB-UHFFFAOYSA-N 1 2 380.491 2.292 20 0 GEADLO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330206066 532815864 /nfs/dbraw/zinc/81/58/64/532815864.db2.gz DWZKYGHZVNTYCV-NWDGAFQWSA-N 1 2 381.889 2.349 20 0 GEADLO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330206066 532815866 /nfs/dbraw/zinc/81/58/66/532815866.db2.gz DWZKYGHZVNTYCV-NWDGAFQWSA-N 1 2 381.889 2.349 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)COc1ccc(F)cc1Br ZINC000413971574 532816486 /nfs/dbraw/zinc/81/64/86/532816486.db2.gz ZSQZBLIEAVCNDJ-UHFFFAOYSA-N 1 2 389.265 2.194 20 0 GEADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)s1 ZINC000414057468 532818387 /nfs/dbraw/zinc/81/83/87/532818387.db2.gz FWUQHOUXRDAVNJ-LLVKDONJSA-N 1 2 383.495 2.031 20 0 GEADLO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000414064063 532818552 /nfs/dbraw/zinc/81/85/52/532818552.db2.gz FIFSTJZCULKYGY-MNOVXSKESA-N 1 2 383.495 2.250 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)C[C@H]1C ZINC000288141112 532818618 /nfs/dbraw/zinc/81/86/18/532818618.db2.gz YVJMDXOOSAOHDQ-NEPJUHHUSA-N 1 2 380.432 2.000 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)C[C@H]1C ZINC000288141112 532818620 /nfs/dbraw/zinc/81/86/20/532818620.db2.gz YVJMDXOOSAOHDQ-NEPJUHHUSA-N 1 2 380.432 2.000 20 0 GEADLO COC(=O)NC(C)(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273241980 532821305 /nfs/dbraw/zinc/82/13/05/532821305.db2.gz FLRQZXCVMHSZLL-UHFFFAOYSA-N 1 2 397.273 2.199 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CCn3cccn3)[nH+]c12 ZINC000273314918 532822791 /nfs/dbraw/zinc/82/27/91/532822791.db2.gz QQQQQVZGPQRQHN-UHFFFAOYSA-N 1 2 376.258 2.351 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCOC[C@@H]3C)[nH+]c12 ZINC000273335118 532823157 /nfs/dbraw/zinc/82/31/57/532823157.db2.gz NFSVNTQQFSIUHJ-LBPRGKRZSA-N 1 2 381.274 2.378 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330854864 532828351 /nfs/dbraw/zinc/82/83/51/532828351.db2.gz HOXAEUHOBQWULB-NWDGAFQWSA-N 1 2 389.315 2.143 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330854864 532828352 /nfs/dbraw/zinc/82/83/52/532828352.db2.gz HOXAEUHOBQWULB-NWDGAFQWSA-N 1 2 389.315 2.143 20 0 GEADLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000273661522 532829896 /nfs/dbraw/zinc/82/98/96/532829896.db2.gz XXHHEKMGSIYTPX-GFCCVEGCSA-N 1 2 379.917 2.499 20 0 GEADLO Cc1nc(CNC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)no1 ZINC000273670901 532830401 /nfs/dbraw/zinc/83/04/01/532830401.db2.gz LFWYSDBZKKICHY-UHFFFAOYSA-N 1 2 379.218 2.096 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000414460348 532829036 /nfs/dbraw/zinc/82/90/36/532829036.db2.gz QDYXLFNLJLCDGH-LBPRGKRZSA-N 1 2 385.873 2.328 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C(C)C)C3CC3)[nH+]c12 ZINC000288568597 532832151 /nfs/dbraw/zinc/83/21/51/532832151.db2.gz MXISTOJTNICSTM-UHFFFAOYSA-N 1 2 393.285 2.421 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc(Br)c1OC(F)F ZINC000414561637 532832359 /nfs/dbraw/zinc/83/23/59/532832359.db2.gz SSZJTXWBWKGDBR-JQWIXIFHSA-N 1 2 396.228 2.234 20 0 GEADLO COc1cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)cc(Br)c1OC(F)F ZINC000414561637 532832361 /nfs/dbraw/zinc/83/23/61/532832361.db2.gz SSZJTXWBWKGDBR-JQWIXIFHSA-N 1 2 396.228 2.234 20 0 GEADLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000288588358 532832737 /nfs/dbraw/zinc/83/27/37/532832737.db2.gz YSDUQAROXFFLRF-LRDDRELGSA-N 1 2 384.929 2.491 20 0 GEADLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000288588358 532832740 /nfs/dbraw/zinc/83/27/40/532832740.db2.gz YSDUQAROXFFLRF-LRDDRELGSA-N 1 2 384.929 2.491 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000414570992 532832742 /nfs/dbraw/zinc/83/27/42/532832742.db2.gz UCRXZMJPQWKBMV-LLVKDONJSA-N 1 2 384.864 2.398 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000414570992 532832745 /nfs/dbraw/zinc/83/27/45/532832745.db2.gz UCRXZMJPQWKBMV-LLVKDONJSA-N 1 2 384.864 2.398 20 0 GEADLO C[NH2+]Cc1noc(CCSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)n1 ZINC000414501457 532831206 /nfs/dbraw/zinc/83/12/06/532831206.db2.gz NLYLDRIGPMIGED-UHFFFAOYSA-N 1 2 377.495 2.464 20 0 GEADLO COc1cc(C)c(S(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1Cl ZINC000331190225 532835901 /nfs/dbraw/zinc/83/59/01/532835901.db2.gz LAKIJQBNKSHYEG-HNNXBMFYSA-N 1 2 390.933 2.292 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)CN3CCCCC3=O)[nH+]c12 ZINC000273941713 532837971 /nfs/dbraw/zinc/83/79/71/532837971.db2.gz KFQWJMGHPJSUTG-UHFFFAOYSA-N 1 2 379.258 2.034 20 0 GEADLO O=C(c1c(F)cc(Br)cc1F)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000331334848 532838166 /nfs/dbraw/zinc/83/81/66/532838166.db2.gz XCZBDIYOPTWFIW-UHFFFAOYSA-N 1 2 385.212 2.408 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2cc(Br)cc3[nH]cnc32)CCO1 ZINC000331392810 532838709 /nfs/dbraw/zinc/83/87/09/532838709.db2.gz JZAWPSPATLDLBI-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2cc(Br)cc3[nH]cnc32)CCO1 ZINC000331392810 532838714 /nfs/dbraw/zinc/83/87/14/532838714.db2.gz JZAWPSPATLDLBI-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2cc(Br)cc3nc[nH]c32)CCO1 ZINC000331392810 532838717 /nfs/dbraw/zinc/83/87/17/532838717.db2.gz JZAWPSPATLDLBI-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2cc(Br)cc3nc[nH]c32)CCO1 ZINC000331392810 532838718 /nfs/dbraw/zinc/83/87/18/532838718.db2.gz JZAWPSPATLDLBI-UHFFFAOYSA-N 1 2 381.274 2.166 20 0 GEADLO Cc1nnc([C@H](C)NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC000273989258 532838850 /nfs/dbraw/zinc/83/88/50/532838850.db2.gz OIALSPZLZFHKAH-WCQYABFASA-N 1 2 381.527 2.342 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]21 ZINC000359999549 212132391 /nfs/dbraw/zinc/13/23/91/212132391.db2.gz ZTCCJOJUKZUGCF-FVQBIDKESA-N 1 2 387.484 2.148 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]21 ZINC000359999549 212132393 /nfs/dbraw/zinc/13/23/93/212132393.db2.gz ZTCCJOJUKZUGCF-FVQBIDKESA-N 1 2 387.484 2.148 20 0 GEADLO COc1cccc([C@@H](NC(=O)NCC2CCN(C(C)=O)CC2)c2[nH+]ccn2C)c1 ZINC000359928417 212124614 /nfs/dbraw/zinc/12/46/14/212124614.db2.gz RZELXQJAFOWFKG-LJQANCHMSA-N 1 2 399.495 2.076 20 0 GEADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)CN(Cc1cn2c([nH+]1)CCCC2)S(C)(=O)=O ZINC000328636592 212088606 /nfs/dbraw/zinc/08/86/06/212088606.db2.gz VOMWUMWFFIFQFV-NVXWUHKLSA-N 1 2 396.557 2.018 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000331690378 532842955 /nfs/dbraw/zinc/84/29/55/532842955.db2.gz BEEGLBZVAGOZPY-WCQYABFASA-N 1 2 395.301 2.244 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000331706036 532843325 /nfs/dbraw/zinc/84/33/25/532843325.db2.gz HSGYERUZWJWXHS-CQSZACIVSA-N 1 2 383.286 2.152 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H]([C@@H](C)O)C3)[nH+]c12 ZINC000274205522 532843980 /nfs/dbraw/zinc/84/39/80/532843980.db2.gz MUNBOXDMMXYBMK-VXGBXAGGSA-N 1 2 381.274 2.318 20 0 GEADLO COC(=O)[C@H]1CCN(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000274281072 532847175 /nfs/dbraw/zinc/84/71/75/532847175.db2.gz YVYQQPKRSRKSHB-NSHDSACASA-N 1 2 395.257 2.110 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000332075333 532848662 /nfs/dbraw/zinc/84/86/62/532848662.db2.gz FOSHYTHIHKTGAM-SNVBAGLBSA-N 1 2 388.262 2.500 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274610524 532852839 /nfs/dbraw/zinc/85/28/39/532852839.db2.gz HLLGZUXSQMEMCI-CYBMUJFWSA-N 1 2 387.889 2.319 20 0 GEADLO COc1ncc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c(C)n1 ZINC000332387280 532853993 /nfs/dbraw/zinc/85/39/93/532853993.db2.gz JVFGEYGKMMSSHK-UHFFFAOYSA-N 1 2 378.274 2.273 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000289455424 532855238 /nfs/dbraw/zinc/85/52/38/532855238.db2.gz NTBGFMILALEJRK-UHFFFAOYSA-N 1 2 379.295 2.492 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CCc3ccnn3C)[nH+]c12 ZINC000274756152 532856317 /nfs/dbraw/zinc/85/63/17/532856317.db2.gz QKIWTTXNBZWLMZ-UHFFFAOYSA-N 1 2 390.285 2.430 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c(Cl)c1 ZINC000332487195 532856414 /nfs/dbraw/zinc/85/64/14/532856414.db2.gz BCPHIRBGVZCAKV-JSGCOSHPSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c(Cl)c1 ZINC000332487195 532856416 /nfs/dbraw/zinc/85/64/16/532856416.db2.gz BCPHIRBGVZCAKV-JSGCOSHPSA-N 1 2 386.901 2.374 20 0 GEADLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1nc(-c3ccc(Br)s3)no1)C2 ZINC000274845793 532857621 /nfs/dbraw/zinc/85/76/21/532857621.db2.gz DVLAHAIXMCVSCW-UHFFFAOYSA-N 1 2 394.254 2.202 20 0 GEADLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1nc(-c3ccc(Br)s3)no1)C2 ZINC000274845793 532857623 /nfs/dbraw/zinc/85/76/23/532857623.db2.gz DVLAHAIXMCVSCW-UHFFFAOYSA-N 1 2 394.254 2.202 20 0 GEADLO COc1cccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1OC(F)F ZINC000289528255 532858183 /nfs/dbraw/zinc/85/81/83/532858183.db2.gz PVEGNTGESROFAI-CYBMUJFWSA-N 1 2 378.441 2.152 20 0 GEADLO COc1cccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1OC(F)F ZINC000289528255 532858184 /nfs/dbraw/zinc/85/81/84/532858184.db2.gz PVEGNTGESROFAI-CYBMUJFWSA-N 1 2 378.441 2.152 20 0 GEADLO NC(=O)[C@@H]([NH2+]Cc1cnc(C2OCCO2)s1)c1cccc(Br)c1 ZINC000289665798 532862829 /nfs/dbraw/zinc/86/28/29/532862829.db2.gz MDTYFTSCRSRATI-LBPRGKRZSA-N 1 2 398.282 2.267 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000333053667 532863441 /nfs/dbraw/zinc/86/34/41/532863441.db2.gz CAJBUMBKAMCERF-VXGBXAGGSA-N 1 2 399.289 2.370 20 0 GEADLO C[C@H](NS(=O)(=O)C[C@H]1CCCC1(F)F)C1([NH+]2CCOCC2)CCCC1 ZINC000333148740 532865542 /nfs/dbraw/zinc/86/55/42/532865542.db2.gz AHSRPFBLFCCRQR-LSDHHAIUSA-N 1 2 380.501 2.375 20 0 GEADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000416369509 532872421 /nfs/dbraw/zinc/87/24/21/532872421.db2.gz JGHBQPOTPBDJBY-LBPRGKRZSA-N 1 2 386.857 2.301 20 0 GEADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000416369508 532872642 /nfs/dbraw/zinc/87/26/42/532872642.db2.gz JGHBQPOTPBDJBY-GFCCVEGCSA-N 1 2 386.857 2.301 20 0 GEADLO Cc1cccc(Cl)c1S(=O)(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000416375210 532872936 /nfs/dbraw/zinc/87/29/36/532872936.db2.gz SYRFOGTXROTTKD-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO C[C@@H]1COCC[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333746260 532872853 /nfs/dbraw/zinc/87/28/53/532872853.db2.gz YVQXXXYGPOJGMI-YPMHNXCESA-N 1 2 399.289 2.227 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)cc(C)c1Br ZINC000290269167 532876326 /nfs/dbraw/zinc/87/63/26/532876326.db2.gz DTWXBVQZWLZTSF-UHFFFAOYSA-N 1 2 377.242 2.243 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC2([NH+](C)C)CCC2)c(F)c1Cl ZINC000275524981 532878158 /nfs/dbraw/zinc/87/81/58/532878158.db2.gz WGQIFHHXKFONPC-UHFFFAOYSA-N 1 2 395.859 2.339 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000290328522 532878476 /nfs/dbraw/zinc/87/84/76/532878476.db2.gz CHNAGSDWFCTCSZ-OAHLLOKOSA-N 1 2 382.917 2.398 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000290328522 532878478 /nfs/dbraw/zinc/87/84/78/532878478.db2.gz CHNAGSDWFCTCSZ-OAHLLOKOSA-N 1 2 382.917 2.398 20 0 GEADLO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000348986392 532879668 /nfs/dbraw/zinc/87/96/68/532879668.db2.gz NYCHBUYEMCARHM-SMDDNHRTSA-N 1 2 375.226 2.323 20 0 GEADLO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000348986392 532879672 /nfs/dbraw/zinc/87/96/72/532879672.db2.gz NYCHBUYEMCARHM-SMDDNHRTSA-N 1 2 375.226 2.323 20 0 GEADLO Ic1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)nc1 ZINC000351090414 532887260 /nfs/dbraw/zinc/88/72/60/532887260.db2.gz YKZYBLSQGOBPSU-GFCCVEGCSA-N 1 2 398.204 2.272 20 0 GEADLO Ic1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)nc1 ZINC000351090414 532887264 /nfs/dbraw/zinc/88/72/64/532887264.db2.gz YKZYBLSQGOBPSU-GFCCVEGCSA-N 1 2 398.204 2.272 20 0 GEADLO CC1(C)C[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](CO)O1 ZINC000420941606 532887883 /nfs/dbraw/zinc/88/78/83/532887883.db2.gz PHADNJJTCUBEMD-HUUCEWRRSA-N 1 2 383.286 2.026 20 0 GEADLO CC1(C)C[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](CO)O1 ZINC000420941606 532887884 /nfs/dbraw/zinc/88/78/84/532887884.db2.gz PHADNJJTCUBEMD-HUUCEWRRSA-N 1 2 383.286 2.026 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1)c1ccsc1 ZINC000290569164 532884113 /nfs/dbraw/zinc/88/41/13/532884113.db2.gz AZDLMYIBZKRJHQ-IIAWOOMASA-N 1 2 387.571 2.348 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1)c1ccsc1 ZINC000290569169 532884278 /nfs/dbraw/zinc/88/42/78/532884278.db2.gz AZDLMYIBZKRJHQ-LZWOXQAQSA-N 1 2 387.571 2.348 20 0 GEADLO C[NH+](C)CCc1ccccc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000275863641 532884793 /nfs/dbraw/zinc/88/47/93/532884793.db2.gz YBGQOMVKRAVAJY-UHFFFAOYSA-N 1 2 376.404 2.350 20 0 GEADLO CSc1nnc(C[NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)s1 ZINC000275871807 532885026 /nfs/dbraw/zinc/88/50/26/532885026.db2.gz YZRCFVYMHCZSLS-SNVBAGLBSA-N 1 2 376.429 2.465 20 0 GEADLO C[C@@H](C(=O)NCCc1c[nH]c2cccc(Br)c12)[NH+]1CCN(C)CC1 ZINC000290813381 532889980 /nfs/dbraw/zinc/88/99/80/532889980.db2.gz FKQUKFCQYADNBQ-ZDUSSCGKSA-N 1 2 393.329 2.225 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000360989732 532891985 /nfs/dbraw/zinc/89/19/85/532891985.db2.gz MOQDQMUECUUDRV-AWEZNQCLSA-N 1 2 382.873 2.422 20 0 GEADLO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000360662820 532890488 /nfs/dbraw/zinc/89/04/88/532890488.db2.gz PANCCGYKYXTKGY-GFCCVEGCSA-N 1 2 381.527 2.495 20 0 GEADLO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000360662820 532890490 /nfs/dbraw/zinc/89/04/90/532890490.db2.gz PANCCGYKYXTKGY-GFCCVEGCSA-N 1 2 381.527 2.495 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000361189854 532892765 /nfs/dbraw/zinc/89/27/65/532892765.db2.gz SODWBNRWONISCS-INIZCTEOSA-N 1 2 385.555 2.362 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000361189854 532892767 /nfs/dbraw/zinc/89/27/67/532892767.db2.gz SODWBNRWONISCS-INIZCTEOSA-N 1 2 385.555 2.362 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1nnc(S(C)(=O)=O)s1 ZINC000276288148 532892756 /nfs/dbraw/zinc/89/27/56/532892756.db2.gz HGYBYTVVFXIGDG-CQSZACIVSA-N 1 2 380.539 2.038 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1nnc(S(C)(=O)=O)s1 ZINC000276288148 532892758 /nfs/dbraw/zinc/89/27/58/532892758.db2.gz HGYBYTVVFXIGDG-CQSZACIVSA-N 1 2 380.539 2.038 20 0 GEADLO [NH3+][C@H](C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)c1cscn1 ZINC000423070110 532893009 /nfs/dbraw/zinc/89/30/09/532893009.db2.gz MRSJOJUIKWIVCF-HNNXBMFYSA-N 1 2 378.885 2.171 20 0 GEADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(I)ccc1O ZINC000362406252 532895986 /nfs/dbraw/zinc/89/59/86/532895986.db2.gz APGBLDWCPYGWLO-SECBINFHSA-N 1 2 383.189 2.007 20 0 GEADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(I)ccc1O ZINC000362406252 532895989 /nfs/dbraw/zinc/89/59/89/532895989.db2.gz APGBLDWCPYGWLO-SECBINFHSA-N 1 2 383.189 2.007 20 0 GEADLO C[C@](O)(CNC(=O)NC1CC[NH+](Cc2cscn2)CC1)c1ccsc1 ZINC000363180399 532897159 /nfs/dbraw/zinc/89/71/59/532897159.db2.gz CRDQFRARSAZNEP-KRWDZBQOSA-N 1 2 380.539 2.376 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cnc(Br)c(Cl)c1 ZINC000291495476 532902708 /nfs/dbraw/zinc/90/27/08/532902708.db2.gz RLXLJFAJUAFMTJ-ZWNOBZJWSA-N 1 2 388.693 2.433 20 0 GEADLO C[N@H+](CC(=O)NC[C@@H]1CCCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000364177877 532904236 /nfs/dbraw/zinc/90/42/36/532904236.db2.gz RBCDTHPWDFREAD-ZFWWWQNUSA-N 1 2 383.286 2.500 20 0 GEADLO C[N@@H+](CC(=O)NC[C@@H]1CCCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000364177877 532904238 /nfs/dbraw/zinc/90/42/38/532904238.db2.gz RBCDTHPWDFREAD-ZFWWWQNUSA-N 1 2 383.286 2.500 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000364654189 532907471 /nfs/dbraw/zinc/90/74/71/532907471.db2.gz MLPBGZPSRHNJGC-ZACQAIPSSA-N 1 2 394.313 2.451 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000364654189 532907473 /nfs/dbraw/zinc/90/74/73/532907473.db2.gz MLPBGZPSRHNJGC-ZACQAIPSSA-N 1 2 394.313 2.451 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000291846853 532909434 /nfs/dbraw/zinc/90/94/34/532909434.db2.gz OUSSEYMVWUYNOV-UHFFFAOYSA-N 1 2 399.285 2.468 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1CCCc2sc(Cl)cc21 ZINC000291859140 532909615 /nfs/dbraw/zinc/90/96/15/532909615.db2.gz IRDXBCMBGJYFCH-ZDUSSCGKSA-N 1 2 378.947 2.421 20 0 GEADLO CN(CC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1)S(=O)(=O)c1cccs1 ZINC000292012222 532911943 /nfs/dbraw/zinc/91/19/43/532911943.db2.gz BQJUCQDEQMSVLB-HNNXBMFYSA-N 1 2 383.543 2.398 20 0 GEADLO COc1cccc(-c2nc(C[N@H+](C)[C@@H]3CCN(S(C)(=O)=O)C3)cs2)c1 ZINC000292086311 532912651 /nfs/dbraw/zinc/91/26/51/532912651.db2.gz DZQHZPJFNKDFOQ-OAHLLOKOSA-N 1 2 381.523 2.284 20 0 GEADLO COc1cccc(-c2nc(C[N@@H+](C)[C@@H]3CCN(S(C)(=O)=O)C3)cs2)c1 ZINC000292086311 532912653 /nfs/dbraw/zinc/91/26/53/532912653.db2.gz DZQHZPJFNKDFOQ-OAHLLOKOSA-N 1 2 381.523 2.284 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCc3cn[nH]c3)[nH+]c12 ZINC000292310055 532915331 /nfs/dbraw/zinc/91/53/31/532915331.db2.gz IGEKZCJWHDAPJE-UHFFFAOYSA-N 1 2 391.273 2.213 20 0 GEADLO O=C(NCc1cc(F)cc(Br)c1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366256360 532915422 /nfs/dbraw/zinc/91/54/22/532915422.db2.gz OTUXWHZOEWOEIV-HNNXBMFYSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(NCc1cc(F)cc(Br)c1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366256360 532915423 /nfs/dbraw/zinc/91/54/23/532915423.db2.gz OTUXWHZOEWOEIV-HNNXBMFYSA-N 1 2 386.265 2.251 20 0 GEADLO Cc1ccc(Br)c(C(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)c1 ZINC000366297772 532915877 /nfs/dbraw/zinc/91/58/77/532915877.db2.gz MVVKSCUBLJYJEF-GOSISDBHSA-N 1 2 397.313 2.369 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCc3c[nH+]cn3C)nc12 ZINC000292146419 532913884 /nfs/dbraw/zinc/91/38/84/532913884.db2.gz YMFBUHZMYNTOII-UHFFFAOYSA-N 1 2 377.246 2.138 20 0 GEADLO Cc1nccc(C[NH+]2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000366453279 532917441 /nfs/dbraw/zinc/91/74/41/532917441.db2.gz IQAMAZXKMQPLIV-UHFFFAOYSA-N 1 2 380.901 2.381 20 0 GEADLO CS(=O)(=O)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)o1 ZINC000366922711 532921821 /nfs/dbraw/zinc/92/18/21/532921821.db2.gz BHOYRBSTZIRFND-HNNXBMFYSA-N 1 2 382.869 2.264 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000292926800 532920027 /nfs/dbraw/zinc/92/00/27/532920027.db2.gz IRMFRQUVFYDCIZ-ZDUSSCGKSA-N 1 2 384.267 2.353 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000292926800 532920028 /nfs/dbraw/zinc/92/00/28/532920028.db2.gz IRMFRQUVFYDCIZ-ZDUSSCGKSA-N 1 2 384.267 2.353 20 0 GEADLO COC[C@@H]1CCN1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000292971303 532920689 /nfs/dbraw/zinc/92/06/89/532920689.db2.gz HFFVWCVYBAZCRD-AWEZNQCLSA-N 1 2 381.274 2.378 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292992831 532920881 /nfs/dbraw/zinc/92/08/81/532920881.db2.gz OEVRKCIBFFEHHE-HNNXBMFYSA-N 1 2 381.274 2.379 20 0 GEADLO COc1ccc(Br)cc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292992831 532920883 /nfs/dbraw/zinc/92/08/83/532920883.db2.gz OEVRKCIBFFEHHE-HNNXBMFYSA-N 1 2 381.274 2.379 20 0 GEADLO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000366774465 532920982 /nfs/dbraw/zinc/92/09/82/532920982.db2.gz RQHGZPQMBPQUFE-UHFFFAOYSA-N 1 2 383.235 2.488 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000293081783 532921634 /nfs/dbraw/zinc/92/16/34/532921634.db2.gz QNWGROBDIQCARH-UHFFFAOYSA-N 1 2 392.257 2.063 20 0 GEADLO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)Nc1ccccc1Br ZINC000367038997 532922411 /nfs/dbraw/zinc/92/24/11/532922411.db2.gz SYIPXCOUAHRVHN-SWLSCSKDSA-N 1 2 380.286 2.378 20 0 GEADLO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)Nc1ccccc1Br ZINC000367038997 532922412 /nfs/dbraw/zinc/92/24/12/532922412.db2.gz SYIPXCOUAHRVHN-SWLSCSKDSA-N 1 2 380.286 2.378 20 0 GEADLO O=C(NC[C@H](O)c1cccc(Br)c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000367112812 532922778 /nfs/dbraw/zinc/92/27/78/532922778.db2.gz IKOGFYSPBQPIRT-IRXDYDNUSA-N 1 2 397.313 2.242 20 0 GEADLO O=C(NC[C@H](O)c1cccc(Br)c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000367112812 532922780 /nfs/dbraw/zinc/92/27/80/532922780.db2.gz IKOGFYSPBQPIRT-IRXDYDNUSA-N 1 2 397.313 2.242 20 0 GEADLO CCOC(=O)c1csc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)n1 ZINC000293286356 532924749 /nfs/dbraw/zinc/92/47/49/532924749.db2.gz JZWRECUKXILCGN-SNVBAGLBSA-N 1 2 379.404 2.210 20 0 GEADLO CCOC(=O)c1csc(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)n1 ZINC000293286356 532924750 /nfs/dbraw/zinc/92/47/50/532924750.db2.gz JZWRECUKXILCGN-SNVBAGLBSA-N 1 2 379.404 2.210 20 0 GEADLO Cc1cc(NC(=O)C[NH+]2CCC(Cn3cc(Br)cn3)CC2)on1 ZINC000367792436 532927291 /nfs/dbraw/zinc/92/72/91/532927291.db2.gz OAENHAXUTIGZLC-UHFFFAOYSA-N 1 2 382.262 2.293 20 0 GEADLO Cn1ncc2c1nc[nH+]c2N1CCC(Cn2cc(Br)cn2)CC1 ZINC000367814645 532927554 /nfs/dbraw/zinc/92/75/54/532927554.db2.gz CDNCVVQCMNNCMD-UHFFFAOYSA-N 1 2 376.262 2.239 20 0 GEADLO CCc1sc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)cc1Br ZINC000293474766 532927622 /nfs/dbraw/zinc/92/76/22/532927622.db2.gz OFFKLXSNHANIRB-JTQLQIEISA-N 1 2 386.271 2.310 20 0 GEADLO CCc1sc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)cc1Br ZINC000293474766 532927623 /nfs/dbraw/zinc/92/76/23/532927623.db2.gz OFFKLXSNHANIRB-JTQLQIEISA-N 1 2 386.271 2.310 20 0 GEADLO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367986070 532929207 /nfs/dbraw/zinc/92/92/07/532929207.db2.gz HYJWDUFKDQNRMU-SNVBAGLBSA-N 1 2 377.242 2.093 20 0 GEADLO Cc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367986070 532929208 /nfs/dbraw/zinc/92/92/08/532929208.db2.gz HYJWDUFKDQNRMU-SNVBAGLBSA-N 1 2 377.242 2.093 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1Cc2cccc(Br)c2C1 ZINC000368015159 532929413 /nfs/dbraw/zinc/92/94/13/532929413.db2.gz GWNKKKASFBHBIW-CQSZACIVSA-N 1 2 380.286 2.338 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1Cc2cccc(Br)c2C1 ZINC000368015159 532929414 /nfs/dbraw/zinc/92/94/14/532929414.db2.gz GWNKKKASFBHBIW-CQSZACIVSA-N 1 2 380.286 2.338 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000368063963 532930004 /nfs/dbraw/zinc/93/00/04/532930004.db2.gz OUHMQJGZANIANE-MWLCHTKSSA-N 1 2 375.778 2.365 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000368063963 532930005 /nfs/dbraw/zinc/93/00/05/532930005.db2.gz OUHMQJGZANIANE-MWLCHTKSSA-N 1 2 375.778 2.365 20 0 GEADLO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1nnc(S(C)(=O)=O)s1 ZINC000367613912 532925937 /nfs/dbraw/zinc/92/59/37/532925937.db2.gz GHXMOHVBPJHRNE-QLFBSQMISA-N 1 2 381.523 2.383 20 0 GEADLO C[C@H](C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1)[NH+]1CCN(C)CC1 ZINC000293816375 532931864 /nfs/dbraw/zinc/93/18/64/532931864.db2.gz DZFZIEVMLVLLRJ-WBVHZDCISA-N 1 2 394.357 2.476 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368207781 532930723 /nfs/dbraw/zinc/93/07/23/532930723.db2.gz GGTYAKZYLRFTIQ-LBPRGKRZSA-N 1 2 381.278 2.006 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368207781 532930725 /nfs/dbraw/zinc/93/07/25/532930725.db2.gz GGTYAKZYLRFTIQ-LBPRGKRZSA-N 1 2 381.278 2.006 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(Br)cc3F)C2)nn1 ZINC000368854898 532934795 /nfs/dbraw/zinc/93/47/95/532934795.db2.gz PVAJOIFDZKVOMY-GFCCVEGCSA-N 1 2 383.221 2.413 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3F)C2)nn1 ZINC000368854898 532934796 /nfs/dbraw/zinc/93/47/96/532934796.db2.gz PVAJOIFDZKVOMY-GFCCVEGCSA-N 1 2 383.221 2.413 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br)C(=O)N(C)C ZINC000368548005 532933300 /nfs/dbraw/zinc/93/33/00/532933300.db2.gz ICASSZSHEDYDRI-WFASDCNBSA-N 1 2 382.302 2.179 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br)C(=O)N(C)C ZINC000368548005 532933302 /nfs/dbraw/zinc/93/33/02/532933302.db2.gz ICASSZSHEDYDRI-WFASDCNBSA-N 1 2 382.302 2.179 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1)Nc1ccc(Br)cc1 ZINC000369061898 532936766 /nfs/dbraw/zinc/93/67/66/532936766.db2.gz GTJYSWUDOWYBRN-OAHLLOKOSA-N 1 2 380.286 2.378 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1)Nc1ccc(Br)cc1 ZINC000369061898 532936768 /nfs/dbraw/zinc/93/67/68/532936768.db2.gz GTJYSWUDOWYBRN-OAHLLOKOSA-N 1 2 380.286 2.378 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000369225322 532937550 /nfs/dbraw/zinc/93/75/50/532937550.db2.gz OTHHIUCNRGNQEK-CQSZACIVSA-N 1 2 384.464 2.093 20 0 GEADLO C[C@H]([C@H](C)N(C)C(=O)NC1CC[NH+](Cc2cccs2)CC1)S(C)(=O)=O ZINC000369285112 532937862 /nfs/dbraw/zinc/93/78/62/532937862.db2.gz NGXUZBRYJHHCTD-UONOGXRCSA-N 1 2 387.571 2.176 20 0 GEADLO C[C@@H](Sc1nncn1C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000294140807 532936132 /nfs/dbraw/zinc/93/61/32/532936132.db2.gz AJUFJPGCGJMZGU-LLVKDONJSA-N 1 2 376.873 2.451 20 0 GEADLO O=C(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)N1CCC[C@H]1c1ccsc1 ZINC000370275091 532942727 /nfs/dbraw/zinc/94/27/27/532942727.db2.gz MCZOHBZUADKSMS-KBPBESRZSA-N 1 2 380.432 2.019 20 0 GEADLO O=C(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)N1CCC[C@H]1c1ccsc1 ZINC000370275091 532942728 /nfs/dbraw/zinc/94/27/28/532942728.db2.gz MCZOHBZUADKSMS-KBPBESRZSA-N 1 2 380.432 2.019 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370340025 532942940 /nfs/dbraw/zinc/94/29/40/532942940.db2.gz JWWFVQOBYNVNKC-BDAKNGLRSA-N 1 2 397.298 2.026 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370340025 532942941 /nfs/dbraw/zinc/94/29/41/532942941.db2.gz JWWFVQOBYNVNKC-BDAKNGLRSA-N 1 2 397.298 2.026 20 0 GEADLO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCO[C@H](c3ccc(Cl)s3)C2)C1 ZINC000370353274 532943153 /nfs/dbraw/zinc/94/31/53/532943153.db2.gz KYYODZQHJMWEFC-OLZOCXBDSA-N 1 2 378.947 2.446 20 0 GEADLO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCO[C@H](c3ccc(Cl)s3)C2)C1 ZINC000370353274 532943154 /nfs/dbraw/zinc/94/31/54/532943154.db2.gz KYYODZQHJMWEFC-OLZOCXBDSA-N 1 2 378.947 2.446 20 0 GEADLO O=S(=O)(NCC1CC[NH+](Cc2ccccc2F)CC1)NCC(F)(F)F ZINC000369711617 532940529 /nfs/dbraw/zinc/94/05/29/532940529.db2.gz DTJVXORONHQBDH-UHFFFAOYSA-N 1 2 383.411 2.024 20 0 GEADLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@]2(CCCOC2)O1 ZINC000369786678 532940937 /nfs/dbraw/zinc/94/09/37/532940937.db2.gz IUHLLKMQBTYPMF-KRWDZBQOSA-N 1 2 398.301 2.443 20 0 GEADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@]2(CCCOC2)O1 ZINC000369786678 532940938 /nfs/dbraw/zinc/94/09/38/532940938.db2.gz IUHLLKMQBTYPMF-KRWDZBQOSA-N 1 2 398.301 2.443 20 0 GEADLO O=S1(=O)CC[C@@H](C[NH+]2CCN(c3nc(-c4cccs4)cs3)CC2)C1 ZINC000370093293 532942194 /nfs/dbraw/zinc/94/21/94/532942194.db2.gz IMTQYRIRNGLREE-ZDUSSCGKSA-N 1 2 383.564 2.428 20 0 GEADLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000370677901 532944803 /nfs/dbraw/zinc/94/48/03/532944803.db2.gz RBVPNCWXKRTOTP-LLVKDONJSA-N 1 2 376.770 2.452 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)CCCC1 ZINC000370795105 532945377 /nfs/dbraw/zinc/94/53/77/532945377.db2.gz FRLUORKLQVFBJB-UHFFFAOYSA-N 1 2 398.276 2.144 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)c3cc(Br)ccc3F)CC2)CCCC1 ZINC000370794382 532945397 /nfs/dbraw/zinc/94/53/97/532945397.db2.gz BMLHANDZKVEKDQ-UHFFFAOYSA-N 1 2 398.276 2.144 20 0 GEADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCc2nnc(N)cc2C1 ZINC000370789650 532945416 /nfs/dbraw/zinc/94/54/16/532945416.db2.gz MLKBJWQHSFAYIC-UHFFFAOYSA-N 1 2 380.279 2.382 20 0 GEADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCc2nnc(N)cc2C1 ZINC000370789650 532945417 /nfs/dbraw/zinc/94/54/17/532945417.db2.gz MLKBJWQHSFAYIC-UHFFFAOYSA-N 1 2 380.279 2.382 20 0 GEADLO Cc1ccc(Br)c(C(=O)N2CCC[N@@H+](CC(=O)NC(C)C)CC2)c1 ZINC000370567650 532944250 /nfs/dbraw/zinc/94/42/50/532944250.db2.gz DGFBXVGYIPSCPW-UHFFFAOYSA-N 1 2 396.329 2.430 20 0 GEADLO Cc1ccc(Br)c(C(=O)N2CCC[N@H+](CC(=O)NC(C)C)CC2)c1 ZINC000370567650 532944251 /nfs/dbraw/zinc/94/42/51/532944251.db2.gz DGFBXVGYIPSCPW-UHFFFAOYSA-N 1 2 396.329 2.430 20 0 GEADLO COc1ccsc1S(=O)(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000371319443 532947518 /nfs/dbraw/zinc/94/75/18/532947518.db2.gz RHDAPOFIPVUKKC-UHFFFAOYSA-N 1 2 383.495 2.426 20 0 GEADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1c(F)cccc1I ZINC000371441724 532948229 /nfs/dbraw/zinc/94/82/29/532948229.db2.gz COMNDROQMACVHA-QMMMGPOBSA-N 1 2 385.180 2.441 20 0 GEADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1c(F)cccc1I ZINC000371441724 532948230 /nfs/dbraw/zinc/94/82/30/532948230.db2.gz COMNDROQMACVHA-QMMMGPOBSA-N 1 2 385.180 2.441 20 0 GEADLO O=C(c1ccc2n[nH]nc2c1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275529474 570695103 /nfs/dbraw/zinc/69/51/03/570695103.db2.gz FQYCHJACWQVOOX-HNNXBMFYSA-N 1 2 378.436 2.247 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000275686443 570698096 /nfs/dbraw/zinc/69/80/96/570698096.db2.gz MPYMRECAGIFIII-YUELXQCFSA-N 1 2 387.434 2.173 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000275686443 570698097 /nfs/dbraw/zinc/69/80/97/570698097.db2.gz MPYMRECAGIFIII-YUELXQCFSA-N 1 2 387.434 2.173 20 0 GEADLO Cc1cc(C)c(OCC(=O)N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)c(C)c1 ZINC000275690813 570699133 /nfs/dbraw/zinc/69/91/33/570699133.db2.gz MTFDJQBGGJFEIL-KRWDZBQOSA-N 1 2 383.496 2.096 20 0 GEADLO Cc1cc(C)c(OCC(=O)N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)c(C)c1 ZINC000275690813 570699137 /nfs/dbraw/zinc/69/91/37/570699137.db2.gz MTFDJQBGGJFEIL-KRWDZBQOSA-N 1 2 383.496 2.096 20 0 GEADLO COC1(c2nc(C3CC3)no2)CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000583615831 570801103 /nfs/dbraw/zinc/80/11/03/570801103.db2.gz AIEWZIGOQZIADK-UHFFFAOYSA-N 1 2 376.482 2.262 20 0 GEADLO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000736900258 598860458 /nfs/dbraw/zinc/86/04/58/598860458.db2.gz DKMAOAIKECLZGA-WMZOPIPTSA-N 1 2 393.451 2.059 20 0 GEADLO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000736900258 598860460 /nfs/dbraw/zinc/86/04/60/598860460.db2.gz DKMAOAIKECLZGA-WMZOPIPTSA-N 1 2 393.451 2.059 20 0 GEADLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCCC1 ZINC000736115518 598878341 /nfs/dbraw/zinc/87/83/41/598878341.db2.gz YNMGFFQWGXOVCY-HNNXBMFYSA-N 1 2 383.500 2.273 20 0 GEADLO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000738163113 598964537 /nfs/dbraw/zinc/96/45/37/598964537.db2.gz OMAHOTKQMAWESX-SFHVURJKSA-N 1 2 396.426 2.142 20 0 GEADLO CC(C)c1[nH+]c2c(n1C)CCN(c1c3ccccc3nnc1-c1nn[nH]n1)C2 ZINC000735942218 598966514 /nfs/dbraw/zinc/96/65/14/598966514.db2.gz FEDPCFCWBCYXHL-UHFFFAOYSA-N 1 2 375.440 2.230 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCCN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000737031553 598985827 /nfs/dbraw/zinc/98/58/27/598985827.db2.gz ADNUQGFTIQNYPH-UHFFFAOYSA-N 1 2 397.483 2.169 20 0 GEADLO O=C(c1ccc(-c2nn[nH]n2)nc1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000738258186 599021338 /nfs/dbraw/zinc/02/13/38/599021338.db2.gz HLEXWPMMGHVLPP-UHFFFAOYSA-N 1 2 397.870 2.263 20 0 GEADLO O=C(c1ccc(-c2nn[nH]n2)nc1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000738258186 599021340 /nfs/dbraw/zinc/02/13/40/599021340.db2.gz HLEXWPMMGHVLPP-UHFFFAOYSA-N 1 2 397.870 2.263 20 0 GEADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000737744306 599081633 /nfs/dbraw/zinc/08/16/33/599081633.db2.gz VPTWDVBUDGVFJO-GOSISDBHSA-N 1 2 396.426 2.076 20 0 GEADLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(OC(F)F)cc1 ZINC000736125521 599087979 /nfs/dbraw/zinc/08/79/79/599087979.db2.gz KMBJYUUHNWVBQS-MEBBXXQBSA-N 1 2 388.378 2.345 20 0 GEADLO O=C(c1cccc2cc[nH]c21)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823493180 599135829 /nfs/dbraw/zinc/13/58/29/599135829.db2.gz HFQIEFHFVUSVTE-UHFFFAOYSA-N 1 2 387.447 2.306 20 0 GEADLO Cc1cc(NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)nc(C2CC2)[nH+]1 ZINC000737273582 599169176 /nfs/dbraw/zinc/16/91/76/599169176.db2.gz FUWZZYXHTJEOQX-UHFFFAOYSA-N 1 2 377.456 2.318 20 0 GEADLO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000735561516 599191416 /nfs/dbraw/zinc/19/14/16/599191416.db2.gz LASBFPSNZJQQKK-CQSZACIVSA-N 1 2 397.508 2.073 20 0 GEADLO CCc1nc(C2([NH2+]CCOc3ccc(-c4nn[nH]n4)cc3OC)CCCC2)no1 ZINC000736700074 599291833 /nfs/dbraw/zinc/29/18/33/599291833.db2.gz PTYNXZLJPDQRAX-UHFFFAOYSA-N 1 2 399.455 2.259 20 0 GEADLO S=C1SCCN1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738406180 598243906 /nfs/dbraw/zinc/24/39/06/598243906.db2.gz BHSMOMQOJAHWBU-UHFFFAOYSA-N 1 2 376.511 2.001 20 0 GEADLO O=C(C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)Nc1ccccc1 ZINC000737875928 598251567 /nfs/dbraw/zinc/25/15/67/598251567.db2.gz NWLABZXASCPAET-UHFFFAOYSA-N 1 2 378.436 2.349 20 0 GEADLO O=C(c1cc2ccccc2[nH]1)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738247698 598255911 /nfs/dbraw/zinc/25/59/11/598255911.db2.gz GVBIUTQOOCGTKB-UHFFFAOYSA-N 1 2 387.447 2.306 20 0 GEADLO C[N@@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@H]1OCCc2ccccc21 ZINC000736787606 598257748 /nfs/dbraw/zinc/25/77/48/598257748.db2.gz LFXUHCUZCHWZPM-GOSISDBHSA-N 1 2 378.436 2.051 20 0 GEADLO C[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@H]1OCCc2ccccc21 ZINC000736787606 598257751 /nfs/dbraw/zinc/25/77/51/598257751.db2.gz LFXUHCUZCHWZPM-GOSISDBHSA-N 1 2 378.436 2.051 20 0 GEADLO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000735662125 598277342 /nfs/dbraw/zinc/27/73/42/598277342.db2.gz QNJNFWHHXUXCNM-UHFFFAOYSA-N 1 2 397.487 2.320 20 0 GEADLO CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000735733647 598296446 /nfs/dbraw/zinc/29/64/46/598296446.db2.gz ICHHSVKVOGJIRT-SFHVURJKSA-N 1 2 395.467 2.330 20 0 GEADLO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000737512143 598315051 /nfs/dbraw/zinc/31/50/51/598315051.db2.gz VAMTWGBNGNQKRY-UHFFFAOYSA-N 1 2 399.352 2.279 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000738124626 598318591 /nfs/dbraw/zinc/31/85/91/598318591.db2.gz SIJCZBXKFXSLEB-UHFFFAOYSA-N 1 2 396.430 2.000 20 0 GEADLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC000736203976 598339171 /nfs/dbraw/zinc/33/91/71/598339171.db2.gz PUISMYCHTSUTER-LBPRGKRZSA-N 1 2 393.480 2.150 20 0 GEADLO Cc1cc(C)n([C@@H]2CCC[N@H+](CC(=O)Nc3sccc3-c3nn[nH]n3)C2)n1 ZINC000737258060 598355551 /nfs/dbraw/zinc/35/55/51/598355551.db2.gz XYXYPUPYZLOCKY-CYBMUJFWSA-N 1 2 386.485 2.017 20 0 GEADLO Cc1cc(C)n([C@@H]2CCC[N@@H+](CC(=O)Nc3sccc3-c3nn[nH]n3)C2)n1 ZINC000737258060 598355553 /nfs/dbraw/zinc/35/55/53/598355553.db2.gz XYXYPUPYZLOCKY-CYBMUJFWSA-N 1 2 386.485 2.017 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737844416 598461182 /nfs/dbraw/zinc/46/11/82/598461182.db2.gz UATFAMVBUSRDGA-GOSISDBHSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737844416 598461183 /nfs/dbraw/zinc/46/11/83/598461183.db2.gz UATFAMVBUSRDGA-GOSISDBHSA-N 1 2 396.426 2.408 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+](C)CCN(C)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000737552831 598470845 /nfs/dbraw/zinc/47/08/45/598470845.db2.gz RCMWSVXJZIJFAN-UHFFFAOYSA-N 1 2 383.456 2.083 20 0 GEADLO Cc1oc(NC(=O)C[N@H+](C)CCN(C)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000737552831 598470847 /nfs/dbraw/zinc/47/08/47/598470847.db2.gz RCMWSVXJZIJFAN-UHFFFAOYSA-N 1 2 383.456 2.083 20 0 GEADLO CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000735735735 598501256 /nfs/dbraw/zinc/50/12/56/598501256.db2.gz UTWFSADLSYIJKH-RHSMWYFYSA-N 1 2 395.467 2.399 20 0 GEADLO C[NH+]1CCN(C[C@H](Nc2cccc(F)c2-c2nn[nH]n2)c2ccccc2)CC1 ZINC000736863432 598522560 /nfs/dbraw/zinc/52/25/60/598522560.db2.gz KPUKXIFKTNLQOA-SFHVURJKSA-N 1 2 381.459 2.406 20 0 GEADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1F ZINC000737309132 598564246 /nfs/dbraw/zinc/56/42/46/598564246.db2.gz ORAMDLBIYDYJKC-UHFFFAOYSA-N 1 2 380.427 2.272 20 0 GEADLO Clc1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)nc1-c1nn[nH]n1 ZINC000737576229 598571664 /nfs/dbraw/zinc/57/16/64/598571664.db2.gz ZBLGXVJKWWNYJT-OAHLLOKOSA-N 1 2 385.859 2.401 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736592129 598617939 /nfs/dbraw/zinc/61/79/39/598617939.db2.gz ZKVXRGNPQCXACM-LJQANCHMSA-N 1 2 395.463 2.352 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736592129 598617941 /nfs/dbraw/zinc/61/79/41/598617941.db2.gz ZKVXRGNPQCXACM-LJQANCHMSA-N 1 2 395.463 2.352 20 0 GEADLO Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000737546090 598670501 /nfs/dbraw/zinc/67/05/01/598670501.db2.gz CKQVDTJVRMULEX-AWEZNQCLSA-N 1 2 392.423 2.233 20 0 GEADLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C[C@H]2O ZINC000737108739 598680985 /nfs/dbraw/zinc/68/09/85/598680985.db2.gz ASOZLWSMRZMXBR-OAHLLOKOSA-N 1 2 385.399 2.072 20 0 GEADLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C[C@H]2O ZINC000737108739 598680987 /nfs/dbraw/zinc/68/09/87/598680987.db2.gz ASOZLWSMRZMXBR-OAHLLOKOSA-N 1 2 385.399 2.072 20 0 GEADLO COc1ccc(C[N@H+](CCO)Cc2cc(-c3nn[nH]n3)ccc2F)c(OC)c1 ZINC000737090554 598710080 /nfs/dbraw/zinc/71/00/80/598710080.db2.gz IVRONSUBAJUAKI-UHFFFAOYSA-N 1 2 387.415 2.018 20 0 GEADLO COc1ccc(C[N@@H+](CCO)Cc2cc(-c3nn[nH]n3)ccc2F)c(OC)c1 ZINC000737090554 598710081 /nfs/dbraw/zinc/71/00/81/598710081.db2.gz IVRONSUBAJUAKI-UHFFFAOYSA-N 1 2 387.415 2.018 20 0 GEADLO C[C@@H]1CCC[C@@H](OCC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736260031 598792790 /nfs/dbraw/zinc/79/27/90/598792790.db2.gz GYPHTFYTXZGPHI-VQIMIIECSA-N 1 2 398.511 2.106 20 0 GEADLO C[C@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1cccc(-c2nn[nH]n2)c1 ZINC000820460802 599354829 /nfs/dbraw/zinc/35/48/29/599354829.db2.gz CBCZEXOXGMZXKE-LBPRGKRZSA-N 1 2 376.424 2.387 20 0 GEADLO CSCCCC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000737184287 599374509 /nfs/dbraw/zinc/37/45/09/599374509.db2.gz WWXNKGZHQXVRRZ-UHFFFAOYSA-N 1 2 397.508 2.207 20 0 GEADLO O=C(Nc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)c1)c1ccccn1 ZINC000823363886 599410755 /nfs/dbraw/zinc/41/07/55/599410755.db2.gz QFFRDSJCZNGZSG-UHFFFAOYSA-N 1 2 375.392 2.397 20 0 GEADLO C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820356889 599419189 /nfs/dbraw/zinc/41/91/89/599419189.db2.gz BZEDQJCKCXOVPW-AWEZNQCLSA-N 1 2 392.467 2.291 20 0 GEADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736905077 599444900 /nfs/dbraw/zinc/44/49/00/599444900.db2.gz AAZWHZMLAHTMMF-GOSISDBHSA-N 1 2 394.435 2.041 20 0 GEADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736905077 599444902 /nfs/dbraw/zinc/44/49/02/599444902.db2.gz AAZWHZMLAHTMMF-GOSISDBHSA-N 1 2 394.435 2.041 20 0 GEADLO Cc1nc(C[N@@H+]2CCCN(c3ccc(Cl)c(-c4nn[nH]n4)n3)CC2)oc1C ZINC000822439812 599534871 /nfs/dbraw/zinc/53/48/71/599534871.db2.gz DNRUFZNHDDNLSD-UHFFFAOYSA-N 1 2 388.863 2.232 20 0 GEADLO Cc1nc(C[N@H+]2CCCN(c3ccc(Cl)c(-c4nn[nH]n4)n3)CC2)oc1C ZINC000822439812 599534873 /nfs/dbraw/zinc/53/48/73/599534873.db2.gz DNRUFZNHDDNLSD-UHFFFAOYSA-N 1 2 388.863 2.232 20 0 GEADLO CCN1CCN(C2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)C1=O ZINC000821267826 599535853 /nfs/dbraw/zinc/53/58/53/599535853.db2.gz RWAJLUFEGMTGCV-UHFFFAOYSA-N 1 2 392.467 2.141 20 0 GEADLO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)c2)C[C@H](C)O1 ZINC000736290944 599547308 /nfs/dbraw/zinc/54/73/08/599547308.db2.gz SDNJXRYDDJTJND-KBPBESRZSA-N 1 2 393.451 2.123 20 0 GEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737340271 599550683 /nfs/dbraw/zinc/55/06/83/599550683.db2.gz CQEVPIHCUSIVCD-UHFFFAOYSA-N 1 2 378.436 2.260 20 0 GEADLO O=C([C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1)N1CCCC1 ZINC000822917477 599551319 /nfs/dbraw/zinc/55/13/19/599551319.db2.gz VAMVKIOEJUUBPN-CQSZACIVSA-N 1 2 377.452 2.254 20 0 GEADLO CCO[C@H]1C[C@H](O)C12CCN(c1c(-c3nn[nH]n3)c[nH+]c3c(C)cccc31)CC2 ZINC000821361126 599571046 /nfs/dbraw/zinc/57/10/46/599571046.db2.gz SWWOHKDKGWIYKJ-IRXDYDNUSA-N 1 2 394.479 2.480 20 0 GEADLO CCO[C@@H](C)c1noc(C[N@H+](C)Cc2cn3ccccc3c2-c2nn[nH]n2)n1 ZINC000821346373 599582878 /nfs/dbraw/zinc/58/28/78/599582878.db2.gz GTMGFPINCOJGHQ-LBPRGKRZSA-N 1 2 382.428 2.232 20 0 GEADLO CCO[C@@H](C)c1noc(C[N@@H+](C)Cc2cn3ccccc3c2-c2nn[nH]n2)n1 ZINC000821346373 599582880 /nfs/dbraw/zinc/58/28/80/599582880.db2.gz GTMGFPINCOJGHQ-LBPRGKRZSA-N 1 2 382.428 2.232 20 0 GEADLO CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000737283833 599975845 /nfs/dbraw/zinc/97/58/45/599975845.db2.gz AOFOZEUQCJRHAS-CRAIPNDOSA-N 1 2 384.480 2.486 20 0 GEADLO CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000737283833 599975846 /nfs/dbraw/zinc/97/58/46/599975846.db2.gz AOFOZEUQCJRHAS-CRAIPNDOSA-N 1 2 384.480 2.486 20 0 GEADLO Cc1[nH]c(C(=O)[C@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(C)c1C(=O)[O-] ZINC000738236116 600091503 /nfs/dbraw/zinc/09/15/03/600091503.db2.gz KIEZCVHTQAFILY-INIZCTEOSA-N 1 2 391.512 2.335 20 0 GEADLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC000736722379 600332217 /nfs/dbraw/zinc/33/22/17/600332217.db2.gz CHLTZLFWMKWWIW-IEBWSBKVSA-N 1 2 385.508 2.079 20 0 GEADLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC000736722375 600332283 /nfs/dbraw/zinc/33/22/83/600332283.db2.gz CHLTZLFWMKWWIW-HKUYNNGSSA-N 1 2 385.508 2.079 20 0 GEADLO C[C@@H](Sc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000736712920 600495223 /nfs/dbraw/zinc/49/52/23/600495223.db2.gz RQWQOGVGSRHNCG-HUUCEWRRSA-N 1 2 391.537 2.150 20 0 GEADLO C[C@@H](Sc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000736712920 600495224 /nfs/dbraw/zinc/49/52/24/600495224.db2.gz RQWQOGVGSRHNCG-HUUCEWRRSA-N 1 2 391.537 2.150 20 0 GEADLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)[C@H](CO)c1ccccc1 ZINC000821593629 607449205 /nfs/dbraw/zinc/44/92/05/607449205.db2.gz CKKDPGBTOLPJPW-MRXNPFEDSA-N 1 2 386.843 2.124 20 0 GEADLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)[C@H](CO)c1ccccc1 ZINC000821593629 607449207 /nfs/dbraw/zinc/44/92/07/607449207.db2.gz CKKDPGBTOLPJPW-MRXNPFEDSA-N 1 2 386.843 2.124 20 0 GEADLO O=C([O-])c1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000833335724 600798191 /nfs/dbraw/zinc/79/81/91/600798191.db2.gz BBUKSKPETTXKHD-DZGCQCFKSA-N 1 2 386.477 2.381 20 0 GEADLO O=C([O-])c1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000833335724 600798195 /nfs/dbraw/zinc/79/81/95/600798195.db2.gz BBUKSKPETTXKHD-DZGCQCFKSA-N 1 2 386.477 2.381 20 0 GEADLO C[NH+]1CCN(C[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)c2ccccc2)CC1 ZINC000821627004 607478801 /nfs/dbraw/zinc/47/88/01/607478801.db2.gz IWHXZERDMAISGM-HXUWFJFHSA-N 1 2 395.486 2.084 20 0 GEADLO CCc1[nH]c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)c1C(=O)[O-] ZINC000737243396 601043915 /nfs/dbraw/zinc/04/39/15/601043915.db2.gz YRLGTFSIFGWGSZ-UHFFFAOYSA-N 1 2 390.528 2.264 20 0 GEADLO Cc1c(C(=O)[O-])sc2nc(C)nc(NCC[NH+]3CCC([NH+](C)C)CC3)c12 ZINC000571288204 601209395 /nfs/dbraw/zinc/20/93/95/601209395.db2.gz SLBBMENWRACLMG-UHFFFAOYSA-N 1 2 377.514 2.444 20 0 GEADLO CC(C)[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000824297569 607516393 /nfs/dbraw/zinc/51/63/93/607516393.db2.gz WZPGCERYHXUMOW-UHFFFAOYSA-N 1 2 376.424 2.321 20 0 GEADLO CC(C)[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000824297569 607516396 /nfs/dbraw/zinc/51/63/96/607516396.db2.gz WZPGCERYHXUMOW-UHFFFAOYSA-N 1 2 376.424 2.321 20 0 GEADLO Cc1nccn1CCC[N@@H+](C)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826330757 607543030 /nfs/dbraw/zinc/54/30/30/607543030.db2.gz HFNDDDPZYIEZNN-UHFFFAOYSA-N 1 2 377.456 2.215 20 0 GEADLO Cc1nccn1CCC[N@H+](C)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826330757 607543032 /nfs/dbraw/zinc/54/30/32/607543032.db2.gz HFNDDDPZYIEZNN-UHFFFAOYSA-N 1 2 377.456 2.215 20 0 GEADLO CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000825331894 607568756 /nfs/dbraw/zinc/56/87/56/607568756.db2.gz CAQKCMFBSRKQSM-GFCCVEGCSA-N 1 2 375.502 2.064 20 0 GEADLO C[NH+]1CCC(CNC(=O)c2ccc(CNC(=O)[O-])cc2)([NH+]2CCCCC2)CC1 ZINC000739732114 602816760 /nfs/dbraw/zinc/81/67/60/602816760.db2.gz NIZJGVAIHXEFPS-UHFFFAOYSA-N 1 2 388.512 2.134 20 0 GEADLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c(-c2nn[nH]n2)c1C ZINC000826341795 607641861 /nfs/dbraw/zinc/64/18/61/607641861.db2.gz QFARIQQZSJCWOT-QWHCGFSZSA-N 1 2 376.486 2.375 20 0 GEADLO Cc1oc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c(-c2nn[nH]n2)c1C ZINC000826341795 607641864 /nfs/dbraw/zinc/64/18/64/607641864.db2.gz QFARIQQZSJCWOT-QWHCGFSZSA-N 1 2 376.486 2.375 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000828466532 603938775 /nfs/dbraw/zinc/93/87/75/603938775.db2.gz PGONRSGNKZTKHL-MSOLQXFVSA-N 1 2 382.549 2.077 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000828466532 603938778 /nfs/dbraw/zinc/93/87/78/603938778.db2.gz PGONRSGNKZTKHL-MSOLQXFVSA-N 1 2 382.549 2.077 20 0 GEADLO CCc1cccc(CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000825722041 607684414 /nfs/dbraw/zinc/68/44/14/607684414.db2.gz CQKARFSTRUJFPH-UHFFFAOYSA-N 1 2 390.491 2.316 20 0 GEADLO Cc1nc(Cl)ccc1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826326495 607685123 /nfs/dbraw/zinc/68/51/23/607685123.db2.gz RXPKEAONLZIMFJ-UHFFFAOYSA-N 1 2 397.870 2.182 20 0 GEADLO Nc1ccc(CNc2ncnc3cccc(I)c32)c[nH+]1 ZINC000444836520 649953263 /nfs/dbraw/zinc/95/32/63/649953263.db2.gz LKSQAWWMJGVMKE-UHFFFAOYSA-N 1 2 377.189 2.246 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000826182563 607749472 /nfs/dbraw/zinc/74/94/72/607749472.db2.gz NQHALPLOMYZSKG-PBHICJAKSA-N 1 2 387.390 2.461 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000826182563 607749473 /nfs/dbraw/zinc/74/94/73/607749473.db2.gz NQHALPLOMYZSKG-PBHICJAKSA-N 1 2 387.390 2.461 20 0 GEADLO O=C([O-])N1CC[C@@]2(C1)C[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)c1ccccc1O2 ZINC000834082341 605636266 /nfs/dbraw/zinc/63/62/66/605636266.db2.gz DUDFPRCHWNNBSE-RDBAUFEQSA-N 1 2 387.480 2.086 20 0 GEADLO O=C([O-])N1CC[C@@]2(C1)C[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)c1ccccc1O2 ZINC000834082341 605636268 /nfs/dbraw/zinc/63/62/68/605636268.db2.gz DUDFPRCHWNNBSE-RDBAUFEQSA-N 1 2 387.480 2.086 20 0 GEADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1O ZINC000821795379 606077725 /nfs/dbraw/zinc/07/77/25/606077725.db2.gz YKGLXDFMXMRIHB-GFCCVEGCSA-N 1 2 382.424 2.040 20 0 GEADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1O ZINC000821795379 606077730 /nfs/dbraw/zinc/07/77/30/606077730.db2.gz YKGLXDFMXMRIHB-GFCCVEGCSA-N 1 2 382.424 2.040 20 0 GEADLO Cc1nc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cs1 ZINC000822427857 606305685 /nfs/dbraw/zinc/30/56/85/606305685.db2.gz XRIRZSRLSSGCRC-KCJUWKMLSA-N 1 2 375.483 2.149 20 0 GEADLO O=C1[C@@H]([NH+]2CCC(C(F)(F)F)CC2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504279 606331802 /nfs/dbraw/zinc/33/18/02/606331802.db2.gz OJAGTSQSHWLQLJ-NSHDSACASA-N 1 2 386.403 2.308 20 0 GEADLO C[C@@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820486913 606359035 /nfs/dbraw/zinc/35/90/35/606359035.db2.gz DNAYAFAQMKLFHT-BEFAXECRSA-N 1 2 393.447 2.372 20 0 GEADLO C[C@@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820486913 606359037 /nfs/dbraw/zinc/35/90/37/606359037.db2.gz DNAYAFAQMKLFHT-BEFAXECRSA-N 1 2 393.447 2.372 20 0 GEADLO C[C@@H](N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1)C(F)(F)F ZINC000820307888 606469755 /nfs/dbraw/zinc/46/97/55/606469755.db2.gz QRBZDXGYBCUBIE-LLVKDONJSA-N 1 2 377.374 2.488 20 0 GEADLO FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000822733129 606482505 /nfs/dbraw/zinc/48/25/05/606482505.db2.gz QUTKMZLONIXWLQ-UHFFFAOYSA-N 1 2 390.394 2.379 20 0 GEADLO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823323274 606530109 /nfs/dbraw/zinc/53/01/09/606530109.db2.gz IYTWOZKJFCFRGR-UHFFFAOYSA-N 1 2 384.465 2.055 20 0 GEADLO CCC1(CNC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000820962142 606534068 /nfs/dbraw/zinc/53/40/68/606534068.db2.gz KSTIIEPSOZGKTF-UHFFFAOYSA-N 1 2 383.500 2.274 20 0 GEADLO O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000823460734 606661816 /nfs/dbraw/zinc/66/18/16/606661816.db2.gz SLBDPFGDZSXGTD-UHFFFAOYSA-N 1 2 384.390 2.103 20 0 GEADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000822355953 606662375 /nfs/dbraw/zinc/66/23/75/606662375.db2.gz DAENATIQXVCMQY-UHFFFAOYSA-N 1 2 398.417 2.411 20 0 GEADLO O=C(Cc1ccc(F)cc1F)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823082780 606662508 /nfs/dbraw/zinc/66/25/08/606662508.db2.gz PHUHWICMZILYCE-UHFFFAOYSA-N 1 2 398.417 2.032 20 0 GEADLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c(OCC2CC2)c1 ZINC000822238743 606713172 /nfs/dbraw/zinc/71/31/72/606713172.db2.gz SJNRQXDSUZCKLQ-IBGZPJMESA-N 1 2 392.463 2.280 20 0 GEADLO O=C(C[N@@H+]1CCc2ccccc2[C@H]1CO)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000823002131 606720856 /nfs/dbraw/zinc/72/08/56/606720856.db2.gz TWGFBJXKYDFUGK-QGZVFWFLSA-N 1 2 398.854 2.050 20 0 GEADLO O=C(C[N@H+]1CCc2ccccc2[C@H]1CO)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000823002131 606720858 /nfs/dbraw/zinc/72/08/58/606720858.db2.gz TWGFBJXKYDFUGK-QGZVFWFLSA-N 1 2 398.854 2.050 20 0 GEADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000821413306 606806615 /nfs/dbraw/zinc/80/66/15/606806615.db2.gz ZSNLLLVGLHOWDK-UHFFFAOYSA-N 1 2 378.396 2.235 20 0 GEADLO CC(=O)Oc1ccc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000819828162 606821670 /nfs/dbraw/zinc/82/16/70/606821670.db2.gz ZYZWMJBMHUNQTQ-UHFFFAOYSA-N 1 2 392.463 2.110 20 0 GEADLO Cn1cc(Cl)cc1C[N@H+](C)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821607389 606881091 /nfs/dbraw/zinc/88/10/91/606881091.db2.gz MKURJCPOAGZCRO-MRXNPFEDSA-N 1 2 385.859 2.096 20 0 GEADLO Cn1cc(Cl)cc1C[N@@H+](C)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821607389 606881093 /nfs/dbraw/zinc/88/10/93/606881093.db2.gz MKURJCPOAGZCRO-MRXNPFEDSA-N 1 2 385.859 2.096 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821319313 606900299 /nfs/dbraw/zinc/90/02/99/606900299.db2.gz CVKRGDAMAJOKHF-OALUTQOASA-N 1 2 395.463 2.006 20 0 GEADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821319313 606900300 /nfs/dbraw/zinc/90/03/00/606900300.db2.gz CVKRGDAMAJOKHF-OALUTQOASA-N 1 2 395.463 2.006 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821319311 606900480 /nfs/dbraw/zinc/90/04/80/606900480.db2.gz CVKRGDAMAJOKHF-MOPGFXCFSA-N 1 2 395.463 2.006 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821319311 606900482 /nfs/dbraw/zinc/90/04/82/606900482.db2.gz CVKRGDAMAJOKHF-MOPGFXCFSA-N 1 2 395.463 2.006 20 0 GEADLO O=C1[C@@H]([N@@H+]2CCOC3(C2)CCCCCC3)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823503855 606934404 /nfs/dbraw/zinc/93/44/04/606934404.db2.gz JMWVSTGNLOUWIN-SFHVURJKSA-N 1 2 396.495 2.397 20 0 GEADLO O=C1[C@@H]([N@H+]2CCOC3(C2)CCCCCC3)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823503855 606934406 /nfs/dbraw/zinc/93/44/06/606934406.db2.gz JMWVSTGNLOUWIN-SFHVURJKSA-N 1 2 396.495 2.397 20 0 GEADLO CCc1nnc(NCCc2cn3cccc(C)c3[nH+]2)c(-c2nn[nH]n2)c1CC ZINC000821542136 606941988 /nfs/dbraw/zinc/94/19/88/606941988.db2.gz KEBHNFSARRTJNH-UHFFFAOYSA-N 1 2 377.456 2.392 20 0 GEADLO CC(C)(C)n1cc(CN2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)cn1 ZINC000819976550 606969438 /nfs/dbraw/zinc/96/94/38/606969438.db2.gz WPUWEGBXCDCDNU-UHFFFAOYSA-N 1 2 398.490 2.275 20 0 GEADLO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000819991190 607016484 /nfs/dbraw/zinc/01/64/84/607016484.db2.gz BLDDQEPVQQOBTE-UHFFFAOYSA-N 1 2 381.440 2.084 20 0 GEADLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820340784 607093445 /nfs/dbraw/zinc/09/34/45/607093445.db2.gz NGDRCNIMFKYVFW-ZQIUZPCESA-N 1 2 380.456 2.417 20 0 GEADLO CC1(O)CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000820628434 607116946 /nfs/dbraw/zinc/11/69/46/607116946.db2.gz CONNPBKBCOUREU-UHFFFAOYSA-N 1 2 376.367 2.368 20 0 GEADLO O=C([C@@H]1CC12CCC2)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822916728 607124740 /nfs/dbraw/zinc/12/47/40/607124740.db2.gz BLVJYDOUPKQKQU-INIZCTEOSA-N 1 2 389.463 2.254 20 0 GEADLO O=C(C[NH+]1CCC2(CC1)OCc1ccccc12)Nc1sccc1-c1nn[nH]n1 ZINC000822991456 607126379 /nfs/dbraw/zinc/12/63/79/607126379.db2.gz DSRAVSDTZHNAFV-UHFFFAOYSA-N 1 2 396.476 2.388 20 0 GEADLO C[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCc2ccccc21 ZINC000825946455 607814659 /nfs/dbraw/zinc/81/46/59/607814659.db2.gz YXEMQTYPSHXNCN-SFHVURJKSA-N 1 2 383.477 2.260 20 0 GEADLO C[N@@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCc2ccccc21 ZINC000825946455 607814660 /nfs/dbraw/zinc/81/46/60/607814660.db2.gz YXEMQTYPSHXNCN-SFHVURJKSA-N 1 2 383.477 2.260 20 0 GEADLO C[C@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825012287 607828622 /nfs/dbraw/zinc/82/86/22/607828622.db2.gz GDAQUANGUMFNQZ-AWEZNQCLSA-N 1 2 383.477 2.087 20 0 GEADLO C[C@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825012287 607828623 /nfs/dbraw/zinc/82/86/23/607828623.db2.gz GDAQUANGUMFNQZ-AWEZNQCLSA-N 1 2 383.477 2.087 20 0 GEADLO Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000826358377 607956755 /nfs/dbraw/zinc/95/67/55/607956755.db2.gz QYSRASRGLLMYHV-UHFFFAOYSA-N 1 2 386.419 2.373 20 0 GEADLO COc1ccc(Cn2c3ccccc3[nH+]c2NC[C@@H](C)O)cc1-c1nn[nH]n1 ZINC000826208630 607972158 /nfs/dbraw/zinc/97/21/58/607972158.db2.gz SSHBITKHAPGRDL-GFCCVEGCSA-N 1 2 379.424 2.066 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028512 608121349 /nfs/dbraw/zinc/12/13/49/608121349.db2.gz BLQCXSKDLOBNOP-MJGOQNOKSA-N 1 2 398.417 2.249 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028512 608121350 /nfs/dbraw/zinc/12/13/50/608121350.db2.gz BLQCXSKDLOBNOP-MJGOQNOKSA-N 1 2 398.417 2.249 20 0 GEADLO Nc1nc(N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)[nH+]c2ccccc12 ZINC000826396415 608122497 /nfs/dbraw/zinc/12/24/97/608122497.db2.gz XBNZBWGELWQYDS-UHFFFAOYSA-N 1 2 388.435 2.440 20 0 GEADLO O[C@@H](CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(Cl)cc1 ZINC000826510869 608220449 /nfs/dbraw/zinc/22/04/49/608220449.db2.gz OPYUULNXCAQIMF-IBGZPJMESA-N 1 2 398.898 2.371 20 0 GEADLO O[C@@H](C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(Cl)cc1 ZINC000826510869 608220450 /nfs/dbraw/zinc/22/04/50/608220450.db2.gz OPYUULNXCAQIMF-IBGZPJMESA-N 1 2 398.898 2.371 20 0 GEADLO c1ccc(-c2nn[nH]n2)c(OCC[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000826519540 608258680 /nfs/dbraw/zinc/25/86/80/608258680.db2.gz CHVZXYMAABELAF-AWEZNQCLSA-N 1 2 380.456 2.121 20 0 GEADLO c1ccc(-c2nn[nH]n2)c(OCC[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000826519540 608258681 /nfs/dbraw/zinc/25/86/81/608258681.db2.gz CHVZXYMAABELAF-AWEZNQCLSA-N 1 2 380.456 2.121 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000826175605 608259112 /nfs/dbraw/zinc/25/91/12/608259112.db2.gz KSNFGOWKPJOGPY-UHFFFAOYSA-N 1 2 391.472 2.306 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000826175605 608259114 /nfs/dbraw/zinc/25/91/14/608259114.db2.gz KSNFGOWKPJOGPY-UHFFFAOYSA-N 1 2 391.472 2.306 20 0 GEADLO FC(F)Oc1ccc([C@H]2C[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)CCO2)cc1 ZINC000826369621 608259211 /nfs/dbraw/zinc/25/92/11/608259211.db2.gz KMHLCQFAJQMMOR-MRXNPFEDSA-N 1 2 388.378 2.437 20 0 GEADLO FC(F)Oc1ccc([C@H]2C[N@@H+](Cc3ccnc(-c4nn[nH]n4)c3)CCO2)cc1 ZINC000826369621 608259212 /nfs/dbraw/zinc/25/92/12/608259212.db2.gz KMHLCQFAJQMMOR-MRXNPFEDSA-N 1 2 388.378 2.437 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000826170676 608320845 /nfs/dbraw/zinc/32/08/45/608320845.db2.gz KRXAAYBOKJVPMB-UHFFFAOYSA-N 1 2 380.452 2.320 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1Cn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000826173889 608322969 /nfs/dbraw/zinc/32/29/69/608322969.db2.gz ZQYLOEWELTZQPL-GFCCVEGCSA-N 1 2 379.424 2.066 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000826169724 608369004 /nfs/dbraw/zinc/36/90/04/608369004.db2.gz BVNIADFBSFGVJV-RTBURBONSA-N 1 2 395.463 2.200 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000826169724 608369006 /nfs/dbraw/zinc/36/90/06/608369006.db2.gz BVNIADFBSFGVJV-RTBURBONSA-N 1 2 395.463 2.200 20 0 GEADLO COc1cccc([C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC)CCO2)c1 ZINC000826215195 608371302 /nfs/dbraw/zinc/37/13/02/608371302.db2.gz IZYQEMKMEPGMGA-LJQANCHMSA-N 1 2 381.436 2.457 20 0 GEADLO COc1cccc([C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC)CCO2)c1 ZINC000826215195 608371305 /nfs/dbraw/zinc/37/13/05/608371305.db2.gz IZYQEMKMEPGMGA-LJQANCHMSA-N 1 2 381.436 2.457 20 0 GEADLO Cc1[nH+]ccn1-c1ncccc1CNc1c2ccccc2nnc1-c1nn[nH]n1 ZINC000826330669 608383558 /nfs/dbraw/zinc/38/35/58/608383558.db2.gz CSTWASGEAFFBFZ-UHFFFAOYSA-N 1 2 384.407 2.311 20 0 GEADLO Cc1cc(C2CC[NH+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)CC2)[nH]n1 ZINC000826265505 608384827 /nfs/dbraw/zinc/38/48/27/608384827.db2.gz BSBDPUJCHNUHPG-UHFFFAOYSA-N 1 2 391.439 2.328 20 0 GEADLO Cc1cc(C2CC[NH+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)CC2)n[nH]1 ZINC000826265505 608384829 /nfs/dbraw/zinc/38/48/29/608384829.db2.gz BSBDPUJCHNUHPG-UHFFFAOYSA-N 1 2 391.439 2.328 20 0 GEADLO CN(Cc1nccn1C)c1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000825998689 608391633 /nfs/dbraw/zinc/39/16/33/608391633.db2.gz AGVOSMVSHSYNBI-UHFFFAOYSA-N 1 2 386.366 2.386 20 0 GEADLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1ccc2c(c1)OCO2 ZINC000824633986 608430239 /nfs/dbraw/zinc/43/02/39/608430239.db2.gz SNKASNKBSHCWHR-LLVKDONJSA-N 1 2 391.391 2.496 20 0 GEADLO CC(=O)N1CC[NH+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000823982228 608495110 /nfs/dbraw/zinc/49/51/10/608495110.db2.gz XCHMBPSBDANYAZ-UHFFFAOYSA-N 1 2 392.463 2.110 20 0 GEADLO c1nc(C2CCC2)sc1C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826525790 608510320 /nfs/dbraw/zinc/51/03/20/608510320.db2.gz ZFIYFBQJMPGKGJ-UHFFFAOYSA-N 1 2 382.497 2.308 20 0 GEADLO COc1ccc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1-c1nn[nH]n1 ZINC000826195553 608563245 /nfs/dbraw/zinc/56/32/45/608563245.db2.gz XWWVZWFIQIFSKP-UHFFFAOYSA-N 1 2 384.406 2.334 20 0 GEADLO COc1ccc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1-c1nn[nH]n1 ZINC000826195553 608563247 /nfs/dbraw/zinc/56/32/47/608563247.db2.gz XWWVZWFIQIFSKP-UHFFFAOYSA-N 1 2 384.406 2.334 20 0 GEADLO CC(C)(C)Oc1cccc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)n1 ZINC000824123661 608578115 /nfs/dbraw/zinc/57/81/15/608578115.db2.gz KFSSOEFAZLFYJY-UHFFFAOYSA-N 1 2 394.483 2.156 20 0 GEADLO CC1(C)CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824802735 608585783 /nfs/dbraw/zinc/58/57/83/608585783.db2.gz PHKPJMQOSMCCCD-QGZVFWFLSA-N 1 2 383.500 2.273 20 0 GEADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825006294 608674502 /nfs/dbraw/zinc/67/45/02/608674502.db2.gz IJKIMLBJPBCJAX-KDOFPFPSSA-N 1 2 375.436 2.476 20 0 GEADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825006294 608674504 /nfs/dbraw/zinc/67/45/04/608674504.db2.gz IJKIMLBJPBCJAX-KDOFPFPSSA-N 1 2 375.436 2.476 20 0 GEADLO COC[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCO1 ZINC000826153776 608714899 /nfs/dbraw/zinc/71/48/99/608714899.db2.gz ZRIOXWRXWBHXCD-FQEVSTJZSA-N 1 2 395.463 2.293 20 0 GEADLO COC[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCO1 ZINC000826153776 608714902 /nfs/dbraw/zinc/71/49/02/608714902.db2.gz ZRIOXWRXWBHXCD-FQEVSTJZSA-N 1 2 395.463 2.293 20 0 GEADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825007146 608842093 /nfs/dbraw/zinc/84/20/93/608842093.db2.gz WFODWWXUZBWSGP-HNAYVOBHSA-N 1 2 395.463 2.027 20 0 GEADLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825007146 608842095 /nfs/dbraw/zinc/84/20/95/608842095.db2.gz WFODWWXUZBWSGP-HNAYVOBHSA-N 1 2 395.463 2.027 20 0 GEADLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825005675 608842963 /nfs/dbraw/zinc/84/29/63/608842963.db2.gz BPZFGAIZNYPFLX-YWZLYKJASA-N 1 2 395.463 2.027 20 0 GEADLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825005675 608842966 /nfs/dbraw/zinc/84/29/66/608842966.db2.gz BPZFGAIZNYPFLX-YWZLYKJASA-N 1 2 395.463 2.027 20 0 GEADLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1OC ZINC000826194959 608852950 /nfs/dbraw/zinc/85/29/50/608852950.db2.gz CBLDYUQPVQVOOI-IBGZPJMESA-N 1 2 381.436 2.457 20 0 GEADLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1OC ZINC000826194959 608852952 /nfs/dbraw/zinc/85/29/52/608852952.db2.gz CBLDYUQPVQVOOI-IBGZPJMESA-N 1 2 381.436 2.457 20 0 GEADLO CCC[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000825252566 609140508 /nfs/dbraw/zinc/14/05/08/609140508.db2.gz JGNBMCVDSSJLGU-OALUTQOASA-N 1 2 398.511 2.106 20 0 GEADLO O=C(OCc1cccc2[nH+]ccn21)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826466843 609258201 /nfs/dbraw/zinc/25/82/01/609258201.db2.gz VWOSVLOGQBMHQV-QGZVFWFLSA-N 1 2 389.419 2.227 20 0 GEADLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826470426 609427176 /nfs/dbraw/zinc/42/71/76/609427176.db2.gz PTBHYAUYQXCJFJ-UHFFFAOYSA-N 1 2 386.419 2.252 20 0 GEADLO OCC[C@H]([NH2+]Cc1ccnc(-c2nn[nH]n2)c1)c1ccccc1Br ZINC000826508834 609432789 /nfs/dbraw/zinc/43/27/89/609432789.db2.gz CUYUCOWVLRKKLZ-AWEZNQCLSA-N 1 2 389.257 2.238 20 0 GEADLO C[C@@H]1CCC[C@H]1C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000824928473 609499552 /nfs/dbraw/zinc/49/95/52/609499552.db2.gz TUURVUAJICNJSW-HUUCEWRRSA-N 1 2 391.479 2.500 20 0 GEADLO COc1ccc([C@@H](CNc2nccc(C)c2-c2nn[nH]n2)[NH+]2CCOCC2)cc1 ZINC000826188896 609518999 /nfs/dbraw/zinc/51/89/99/609518999.db2.gz JMKVSZZXZKUZPY-QGZVFWFLSA-N 1 2 395.467 2.064 20 0 GEADLO C[C@H](CNC(=O)c1ccccc1-n1cc(Br)cn1)[NH+]1CCOCC1 ZINC000448682857 650019202 /nfs/dbraw/zinc/01/92/02/650019202.db2.gz UHBVMAOBIAZWKK-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO CCCC[N@H+](C[C@H](C)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000449001733 650029371 /nfs/dbraw/zinc/02/93/71/650029371.db2.gz FSLKUCZFWJRBHM-DOTOQJQBSA-N 1 2 387.567 2.483 20 0 GEADLO CCCC[N@@H+](C[C@H](C)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000449001733 650029372 /nfs/dbraw/zinc/02/93/72/650029372.db2.gz FSLKUCZFWJRBHM-DOTOQJQBSA-N 1 2 387.567 2.483 20 0 GEADLO COc1nccc(C[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)n1 ZINC000449314669 650038251 /nfs/dbraw/zinc/03/82/51/650038251.db2.gz RSUPXRIHDKVLLL-UHFFFAOYSA-N 1 2 375.372 2.197 20 0 GEADLO CC(C)NS(=O)(=O)N1CC[NH+]([C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000450921575 650075520 /nfs/dbraw/zinc/07/55/20/650075520.db2.gz IVOJYXQEMNOGFF-CYBMUJFWSA-N 1 2 377.457 2.209 20 0 GEADLO CC(C)C[C@@H](CNS(=O)(=O)C[C@H]1CCCCC1(F)F)[NH+]1CCOCC1 ZINC000451012592 650080155 /nfs/dbraw/zinc/08/01/55/650080155.db2.gz DIQXTWKUSIVCQG-CVEARBPZSA-N 1 2 382.517 2.478 20 0 GEADLO COC(=O)CCS(=O)(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000451110206 650087702 /nfs/dbraw/zinc/08/77/02/650087702.db2.gz DQVYCVUCXTVWJW-UHFFFAOYSA-N 1 2 390.889 2.118 20 0 GEADLO CCOC(=O)[C@@H]1C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)CC12COC2 ZINC000451137184 650089560 /nfs/dbraw/zinc/08/95/60/650089560.db2.gz ONIUQCGTNNJAKV-LBPRGKRZSA-N 1 2 394.269 2.337 20 0 GEADLO CCOC(=O)[C@@H]1C[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)CC12COC2 ZINC000451137184 650089562 /nfs/dbraw/zinc/08/95/62/650089562.db2.gz ONIUQCGTNNJAKV-LBPRGKRZSA-N 1 2 394.269 2.337 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](F)C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000451191422 650095246 /nfs/dbraw/zinc/09/52/46/650095246.db2.gz RKADUMNKZQEQBD-GFCCVEGCSA-N 1 2 390.322 2.199 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](F)C1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000451191422 650095248 /nfs/dbraw/zinc/09/52/48/650095248.db2.gz RKADUMNKZQEQBD-GFCCVEGCSA-N 1 2 390.322 2.199 20 0 GEADLO CN(C)c1nc(N)nc(C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)n1 ZINC000451564251 650125777 /nfs/dbraw/zinc/12/57/77/650125777.db2.gz FZBVUIXEJYSNGW-GFCCVEGCSA-N 1 2 377.290 2.272 20 0 GEADLO CN(C)c1nc(N)nc(C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)n1 ZINC000451564251 650125779 /nfs/dbraw/zinc/12/57/79/650125779.db2.gz FZBVUIXEJYSNGW-GFCCVEGCSA-N 1 2 377.290 2.272 20 0 GEADLO O=C(C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccc(Br)cn1 ZINC000451889465 650150465 /nfs/dbraw/zinc/15/04/65/650150465.db2.gz MITXZPBXWLUDEH-UFBFGSQYSA-N 1 2 382.180 2.028 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccc(Br)cn1 ZINC000451889465 650150467 /nfs/dbraw/zinc/15/04/67/650150467.db2.gz MITXZPBXWLUDEH-UFBFGSQYSA-N 1 2 382.180 2.028 20 0 GEADLO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453379544 650208863 /nfs/dbraw/zinc/20/88/63/650208863.db2.gz YUCGBJOKYMNCDN-ZEGGKSINSA-N 1 2 383.297 2.095 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000453734493 650221172 /nfs/dbraw/zinc/22/11/72/650221172.db2.gz XVNVOUXCBZFYMN-LLVKDONJSA-N 1 2 392.257 2.220 20 0 GEADLO C[C@H](CNC(=O)NC/C=C\c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000454244565 650260254 /nfs/dbraw/zinc/26/02/54/650260254.db2.gz JYZFQBRICVBRAK-PYLYLYNFSA-N 1 2 382.302 2.482 20 0 GEADLO O=C(c1ccc(I)cn1)N1CCC(n2cc[nH+]c2)CC1 ZINC000455197104 650294468 /nfs/dbraw/zinc/29/44/68/650294468.db2.gz CKUBXMGWJNHRMB-UHFFFAOYSA-N 1 2 382.205 2.360 20 0 GEADLO O=C(c1ccc(I)cn1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000455902106 650325476 /nfs/dbraw/zinc/32/54/76/650325476.db2.gz PLKPVOIVBZIFTR-UHFFFAOYSA-N 1 2 382.205 2.429 20 0 GEADLO O=C(c1ccc(I)cn1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000455902106 650325478 /nfs/dbraw/zinc/32/54/78/650325478.db2.gz PLKPVOIVBZIFTR-UHFFFAOYSA-N 1 2 382.205 2.429 20 0 GEADLO COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000456713636 650357507 /nfs/dbraw/zinc/35/75/07/650357507.db2.gz HJAKVAJFHYUZBU-GFCCVEGCSA-N 1 2 396.285 2.081 20 0 GEADLO COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000456713636 650357510 /nfs/dbraw/zinc/35/75/10/650357510.db2.gz HJAKVAJFHYUZBU-GFCCVEGCSA-N 1 2 396.285 2.081 20 0 GEADLO Cc1cc(C)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c[nH+]1 ZINC000456858485 650364322 /nfs/dbraw/zinc/36/43/22/650364322.db2.gz LWWTYRSKDHIBFT-HNNXBMFYSA-N 1 2 379.507 2.229 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)C2(c3ccc(I)cc3)CC2)c1 ZINC000457879590 650388026 /nfs/dbraw/zinc/38/80/26/650388026.db2.gz YLJWMELFNGZZNV-UHFFFAOYSA-N 1 2 395.244 2.415 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCc1cccc(Br)c1 ZINC000458283099 650399552 /nfs/dbraw/zinc/39/95/52/650399552.db2.gz QKWDDIGFLPNODQ-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCc1cccc(Br)c1 ZINC000458283099 650399554 /nfs/dbraw/zinc/39/95/54/650399554.db2.gz QKWDDIGFLPNODQ-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000458301043 650399824 /nfs/dbraw/zinc/39/98/24/650399824.db2.gz JCPBQAVQFCRTOG-XJKSGUPXSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000458301043 650399828 /nfs/dbraw/zinc/39/98/28/650399828.db2.gz JCPBQAVQFCRTOG-XJKSGUPXSA-N 1 2 397.317 2.411 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H](C)C[C@@H](O)C3)[nH+]c12 ZINC000458670280 650406716 /nfs/dbraw/zinc/40/67/16/650406716.db2.gz QXCVAAFISWKHOZ-IAQYHMDHSA-N 1 2 395.301 2.360 20 0 GEADLO C[N@H+](CC1(CS(C)(=O)=O)CC1)[C@H](CO)c1cccc(Br)c1 ZINC000502761884 650411337 /nfs/dbraw/zinc/41/13/37/650411337.db2.gz CWRJDBMGXRIWOT-CQSZACIVSA-N 1 2 376.316 2.239 20 0 GEADLO C[N@@H+](CC1(CS(C)(=O)=O)CC1)[C@H](CO)c1cccc(Br)c1 ZINC000502761884 650411339 /nfs/dbraw/zinc/41/13/39/650411339.db2.gz CWRJDBMGXRIWOT-CQSZACIVSA-N 1 2 376.316 2.239 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)C1(c2ccc(I)cc2)CC1 ZINC000503620982 650420584 /nfs/dbraw/zinc/42/05/84/650420584.db2.gz AGGMMYPQSQAZRF-UHFFFAOYSA-N 1 2 381.217 2.405 20 0 GEADLO Cc1cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1Br ZINC000459189720 650420731 /nfs/dbraw/zinc/42/07/31/650420731.db2.gz WMQJIRFSWKGPBL-CVEARBPZSA-N 1 2 382.302 2.372 20 0 GEADLO Cc1cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)ccc1Br ZINC000459189720 650420732 /nfs/dbraw/zinc/42/07/32/650420732.db2.gz WMQJIRFSWKGPBL-CVEARBPZSA-N 1 2 382.302 2.372 20 0 GEADLO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505460088 650438004 /nfs/dbraw/zinc/43/80/04/650438004.db2.gz LFBKTZGAGCJUJA-NVXWUHKLSA-N 1 2 388.265 2.321 20 0 GEADLO CSCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000505519307 650438291 /nfs/dbraw/zinc/43/82/91/650438291.db2.gz DTKNHLQQMIGXFZ-CVEARBPZSA-N 1 2 383.945 2.461 20 0 GEADLO CSCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000505519307 650438293 /nfs/dbraw/zinc/43/82/93/650438293.db2.gz DTKNHLQQMIGXFZ-CVEARBPZSA-N 1 2 383.945 2.461 20 0 GEADLO COCCC[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000506034891 650442981 /nfs/dbraw/zinc/44/29/81/650442981.db2.gz LHMHDLQKXFDNBZ-AWEZNQCLSA-N 1 2 389.901 2.137 20 0 GEADLO COCCC[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000506034891 650442982 /nfs/dbraw/zinc/44/29/82/650442982.db2.gz LHMHDLQKXFDNBZ-AWEZNQCLSA-N 1 2 389.901 2.137 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000506122605 650443346 /nfs/dbraw/zinc/44/33/46/650443346.db2.gz NFADEDJKXXHUDV-AWEZNQCLSA-N 1 2 397.313 2.327 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C)cc(C)c1Br ZINC000461447044 650454092 /nfs/dbraw/zinc/45/40/92/650454092.db2.gz DQHMYLNZWIDCJH-ZDUSSCGKSA-N 1 2 380.242 2.303 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C)cc(C)c1Br ZINC000461447044 650454096 /nfs/dbraw/zinc/45/40/96/650454096.db2.gz DQHMYLNZWIDCJH-ZDUSSCGKSA-N 1 2 380.242 2.303 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000507886835 650468965 /nfs/dbraw/zinc/46/89/65/650468965.db2.gz IPAWBJVUMJBYHE-NWDGAFQWSA-N 1 2 391.331 2.479 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000507886835 650468968 /nfs/dbraw/zinc/46/89/68/650468968.db2.gz IPAWBJVUMJBYHE-NWDGAFQWSA-N 1 2 391.331 2.479 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000507932482 650469991 /nfs/dbraw/zinc/46/99/91/650469991.db2.gz DKTBCTGIFJMOBS-VXGBXAGGSA-N 1 2 390.347 2.228 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000507932482 650469993 /nfs/dbraw/zinc/46/99/93/650469993.db2.gz DKTBCTGIFJMOBS-VXGBXAGGSA-N 1 2 390.347 2.228 20 0 GEADLO COc1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)c(Cl)c1Cl ZINC000462135370 650470508 /nfs/dbraw/zinc/47/05/08/650470508.db2.gz BQEQXFNSMGXSSK-UHFFFAOYSA-N 1 2 385.338 2.329 20 0 GEADLO COC(=O)c1ncc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000508074801 650473664 /nfs/dbraw/zinc/47/36/64/650473664.db2.gz SSIORWVHNZMMIT-UHFFFAOYSA-N 1 2 383.857 2.384 20 0 GEADLO CCCCN(C)C(=O)CSCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000462410745 650478351 /nfs/dbraw/zinc/47/83/51/650478351.db2.gz WELSMYRGCOZPDV-UHFFFAOYSA-N 1 2 383.583 2.384 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CCc1cccc(Br)c1 ZINC000463327296 650493288 /nfs/dbraw/zinc/49/32/88/650493288.db2.gz FQSURJNPRPHMNO-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cn(C)nn3)C2=O)ccc1Br ZINC000463408037 650495108 /nfs/dbraw/zinc/49/51/08/650495108.db2.gz AKJMXVXKWJGKHF-OAHLLOKOSA-N 1 2 378.274 2.171 20 0 GEADLO CNC(=O)N[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000466948643 650499911 /nfs/dbraw/zinc/49/99/11/650499911.db2.gz JJSGTNYHEQWFCH-LLVKDONJSA-N 1 2 376.682 2.485 20 0 GEADLO CNC(=O)N[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000466948643 650499912 /nfs/dbraw/zinc/49/99/12/650499912.db2.gz JJSGTNYHEQWFCH-LLVKDONJSA-N 1 2 376.682 2.485 20 0 GEADLO CN1c2ccc(Br)cc2N(C[C@H](O)C[NH+]2CCOCC2)CC1(C)C ZINC000471005164 650518050 /nfs/dbraw/zinc/51/80/50/650518050.db2.gz KHWXKTCZUBZVMQ-OAHLLOKOSA-N 1 2 398.345 2.177 20 0 GEADLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000471000512 650518085 /nfs/dbraw/zinc/51/80/85/650518085.db2.gz HAURDKYNDCLMRP-UHFFFAOYSA-N 1 2 379.507 2.126 20 0 GEADLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000471000512 650518089 /nfs/dbraw/zinc/51/80/89/650518089.db2.gz HAURDKYNDCLMRP-UHFFFAOYSA-N 1 2 379.507 2.126 20 0 GEADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511058093 650524366 /nfs/dbraw/zinc/52/43/66/650524366.db2.gz DKYYZXHHJCQUSQ-STQMWFEESA-N 1 2 384.527 2.463 20 0 GEADLO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511058093 650524372 /nfs/dbraw/zinc/52/43/72/650524372.db2.gz DKYYZXHHJCQUSQ-STQMWFEESA-N 1 2 384.527 2.463 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000473996517 650526751 /nfs/dbraw/zinc/52/67/51/650526751.db2.gz RLLGZQPBLZAMEL-INIZCTEOSA-N 1 2 383.286 2.012 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)CCS(C)(=O)=O)c1ccsc1 ZINC000474242891 650528704 /nfs/dbraw/zinc/52/87/04/650528704.db2.gz UALAMWNHPMGTJC-ZFWWWQNUSA-N 1 2 375.560 2.253 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000511222299 650529672 /nfs/dbraw/zinc/52/96/72/650529672.db2.gz OCEFXOPCSNWHLA-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000511222299 650529674 /nfs/dbraw/zinc/52/96/74/650529674.db2.gz OCEFXOPCSNWHLA-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CNC(=O)c1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000475434011 650533356 /nfs/dbraw/zinc/53/33/56/650533356.db2.gz KZLSFOHNANHXSO-OAHLLOKOSA-N 1 2 376.254 2.125 20 0 GEADLO Cc1cc(N2CCC[C@@H]([N@@H+](C)[C@H]3CCN(C)C3=O)C2=O)ccc1Br ZINC000511593894 650539037 /nfs/dbraw/zinc/53/90/37/650539037.db2.gz MPOUWNLMTAAHQR-CVEARBPZSA-N 1 2 394.313 2.415 20 0 GEADLO Cc1cc(N2CCC[C@@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2=O)ccc1Br ZINC000511593894 650539041 /nfs/dbraw/zinc/53/90/41/650539041.db2.gz MPOUWNLMTAAHQR-CVEARBPZSA-N 1 2 394.313 2.415 20 0 GEADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc(Br)ccn2)CC1 ZINC000476089994 650543849 /nfs/dbraw/zinc/54/38/49/650543849.db2.gz IYOHHKFOBUROBH-AWEZNQCLSA-N 1 2 381.318 2.367 20 0 GEADLO O=C(Cc1ccc(Br)cc1O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000512727571 650553193 /nfs/dbraw/zinc/55/31/93/650553193.db2.gz IRPUBRIONZXJLD-HNNXBMFYSA-N 1 2 376.254 2.265 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000476541686 650553295 /nfs/dbraw/zinc/55/32/95/650553295.db2.gz VXVKHSSKWFNFEF-UHFFFAOYSA-N 1 2 390.933 2.470 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000476541686 650553299 /nfs/dbraw/zinc/55/32/99/650553299.db2.gz VXVKHSSKWFNFEF-UHFFFAOYSA-N 1 2 390.933 2.470 20 0 GEADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000513382483 650562433 /nfs/dbraw/zinc/56/24/33/650562433.db2.gz XUQBCWQXZGPVMJ-AWEZNQCLSA-N 1 2 386.323 2.358 20 0 GEADLO C[C@H](C(=O)N[C@H](CO)c1ccccc1OC(F)(F)F)[NH+]1CCSCC1 ZINC000478139683 650583483 /nfs/dbraw/zinc/58/34/83/650583483.db2.gz IPYFTNAIANAKRI-DGCLKSJQSA-N 1 2 378.416 2.172 20 0 GEADLO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000522259118 650624320 /nfs/dbraw/zinc/62/43/20/650624320.db2.gz OPHAMKCAQJZQMM-GFCCVEGCSA-N 1 2 389.253 2.082 20 0 GEADLO CC(=O)N[C@H](CC(=O)N1CC(n2cc[nH+]c2)C1)c1ccc(Br)cc1 ZINC000522258831 650624420 /nfs/dbraw/zinc/62/44/20/650624420.db2.gz FYPSOPHKRAXAFM-MRXNPFEDSA-N 1 2 391.269 2.296 20 0 GEADLO Cc1cccc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c1I ZINC000523054307 650631393 /nfs/dbraw/zinc/63/13/93/650631393.db2.gz MGPYZBLPIKHATF-LBPRGKRZSA-N 1 2 388.249 2.050 20 0 GEADLO Cc1cccc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)c1I ZINC000523054307 650631397 /nfs/dbraw/zinc/63/13/97/650631397.db2.gz MGPYZBLPIKHATF-LBPRGKRZSA-N 1 2 388.249 2.050 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)CCO1 ZINC000523763131 650638218 /nfs/dbraw/zinc/63/82/18/650638218.db2.gz IWKNETSHXHCDMA-OMWUSAIZSA-N 1 2 393.325 2.490 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)CCO1 ZINC000523763131 650638220 /nfs/dbraw/zinc/63/82/20/650638220.db2.gz IWKNETSHXHCDMA-OMWUSAIZSA-N 1 2 393.325 2.490 20 0 GEADLO CCS[C@@H]1CCCC[N@H+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000480897119 650637041 /nfs/dbraw/zinc/63/70/41/650637041.db2.gz XPHJKALAXBVMTL-DLBZAZTESA-N 1 2 390.615 2.266 20 0 GEADLO CCS[C@@H]1CCCC[N@@H+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000480897119 650637042 /nfs/dbraw/zinc/63/70/42/650637042.db2.gz XPHJKALAXBVMTL-DLBZAZTESA-N 1 2 390.615 2.266 20 0 GEADLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1nc(-c2cccc(Br)c2)no1 ZINC000483295504 650676171 /nfs/dbraw/zinc/67/61/71/650676171.db2.gz YUOZHRGHKXAIGG-BXUZGUMPSA-N 1 2 382.258 2.471 20 0 GEADLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1nc(-c2cccc(Br)c2)no1 ZINC000483295504 650676175 /nfs/dbraw/zinc/67/61/75/650676175.db2.gz YUOZHRGHKXAIGG-BXUZGUMPSA-N 1 2 382.258 2.471 20 0 GEADLO C[C@@H](C(=O)N(CCO)Cc1ccc(Br)s1)[NH+]1CCSCC1 ZINC000483011573 650673314 /nfs/dbraw/zinc/67/33/14/650673314.db2.gz DPBBEROBOSFOOU-NSHDSACASA-N 1 2 393.372 2.269 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H](C)[S@@]1=O ZINC000484717819 650689066 /nfs/dbraw/zinc/68/90/66/650689066.db2.gz VZCXPELBSWCXLG-VMMKKLLLSA-N 1 2 376.316 2.030 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H](C)[S@@]1=O ZINC000484717819 650689067 /nfs/dbraw/zinc/68/90/67/650689067.db2.gz VZCXPELBSWCXLG-VMMKKLLLSA-N 1 2 376.316 2.030 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000487522534 650735070 /nfs/dbraw/zinc/73/50/70/650735070.db2.gz SWJHSZIPFBYKBT-AWEZNQCLSA-N 1 2 385.237 2.208 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](CO)c1cccc(Br)c1 ZINC000531739999 650743754 /nfs/dbraw/zinc/74/37/54/650743754.db2.gz TWUIPHMTOMHCHK-OAHLLOKOSA-N 1 2 381.274 2.459 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)c1cc(F)cc(F)c1)[NH+]1CCOCC1 ZINC000028049679 642444495 /nfs/dbraw/zinc/44/44/95/642444495.db2.gz SZTRJXDJBDXXAH-QGZVFWFLSA-N 1 2 376.469 2.380 20 0 GEADLO O=S(=O)(c1cccc(OC(F)(F)F)c1F)N1CC[NH+](CC2CC2)CC1 ZINC000489118250 650754583 /nfs/dbraw/zinc/75/45/83/650754583.db2.gz NIQSKCUDIIWVNK-UHFFFAOYSA-N 1 2 382.379 2.441 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000533036574 650755791 /nfs/dbraw/zinc/75/57/91/650755791.db2.gz HNMNWTFUHWCMHM-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000533036574 650755794 /nfs/dbraw/zinc/75/57/94/650755794.db2.gz HNMNWTFUHWCMHM-LBPRGKRZSA-N 1 2 384.889 2.151 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(F)c(F)c1)[NH+]1CCOCC1 ZINC000031560128 642485775 /nfs/dbraw/zinc/48/57/75/642485775.db2.gz HXRJHQPOLYYMRO-KRWDZBQOSA-N 1 2 376.469 2.380 20 0 GEADLO Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000532762222 650752986 /nfs/dbraw/zinc/75/29/86/650752986.db2.gz CHGTYURUDLTDBI-HOCLYGCPSA-N 1 2 379.551 2.272 20 0 GEADLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000533799208 650765654 /nfs/dbraw/zinc/76/56/54/650765654.db2.gz WKHKOGGRMVEGLF-SDBXPKJASA-N 1 2 395.269 2.488 20 0 GEADLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000533799208 650765656 /nfs/dbraw/zinc/76/56/56/650765656.db2.gz WKHKOGGRMVEGLF-SDBXPKJASA-N 1 2 395.269 2.488 20 0 GEADLO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000041965763 642537355 /nfs/dbraw/zinc/53/73/55/642537355.db2.gz LFCZYZASZFLWSA-RWMBFGLXSA-N 1 2 398.301 2.002 20 0 GEADLO C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000041965763 642537357 /nfs/dbraw/zinc/53/73/57/642537357.db2.gz LFCZYZASZFLWSA-RWMBFGLXSA-N 1 2 398.301 2.002 20 0 GEADLO NC(=O)N[C@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccs1 ZINC000042000110 642538546 /nfs/dbraw/zinc/53/85/46/642538546.db2.gz OBKSUCTWSGIJDP-CQSZACIVSA-N 1 2 378.523 2.254 20 0 GEADLO O=C([C@@H]1CCCO1)N1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000042366408 642551791 /nfs/dbraw/zinc/55/17/91/642551791.db2.gz NRPBJCAOOCUFMO-INIZCTEOSA-N 1 2 383.286 2.151 20 0 GEADLO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCn1cc[nH+]c1 ZINC000043945948 642566399 /nfs/dbraw/zinc/56/63/99/642566399.db2.gz CAHRTIOWLJWCEG-OAHLLOKOSA-N 1 2 380.901 2.204 20 0 GEADLO O=C(COc1ccc(I)cc1)NCCCn1cc[nH+]c1 ZINC000045052468 642587730 /nfs/dbraw/zinc/58/77/30/642587730.db2.gz BVEANMMHYPFJMN-UHFFFAOYSA-N 1 2 385.205 2.073 20 0 GEADLO O=C(C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)NCC(F)(F)F ZINC000047262583 642625497 /nfs/dbraw/zinc/62/54/97/642625497.db2.gz NSCFLWQBYHTMOY-UHFFFAOYSA-N 1 2 378.782 2.064 20 0 GEADLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534524700 650777006 /nfs/dbraw/zinc/77/70/06/650777006.db2.gz LHRJUHMUOIDVSI-OAHLLOKOSA-N 1 2 381.567 2.340 20 0 GEADLO O=C(COC(=O)c1scnc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000051798779 642704847 /nfs/dbraw/zinc/70/48/47/642704847.db2.gz QUYAJKUHIRIZHB-UHFFFAOYSA-N 1 2 385.898 2.359 20 0 GEADLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000052453004 642719064 /nfs/dbraw/zinc/71/90/64/642719064.db2.gz GOWBTNIFPSKKAM-QGZVFWFLSA-N 1 2 394.313 2.277 20 0 GEADLO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000052453004 642719073 /nfs/dbraw/zinc/71/90/73/642719073.db2.gz GOWBTNIFPSKKAM-QGZVFWFLSA-N 1 2 394.313 2.277 20 0 GEADLO O=C(CCOc1ccccc1Cl)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000057210577 642808697 /nfs/dbraw/zinc/80/86/97/642808697.db2.gz KPHDHQVLRTZFTH-GOSISDBHSA-N 1 2 384.929 2.433 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000535085301 650784944 /nfs/dbraw/zinc/78/49/44/650784944.db2.gz FONAUGGHKNGASN-GHMZBOCLSA-N 1 2 378.270 2.455 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000535085301 650784945 /nfs/dbraw/zinc/78/49/45/650784945.db2.gz FONAUGGHKNGASN-GHMZBOCLSA-N 1 2 378.270 2.455 20 0 GEADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000535823396 650791093 /nfs/dbraw/zinc/79/10/93/650791093.db2.gz YKRDHOUIKZZWIO-UHFFFAOYSA-N 1 2 391.697 2.244 20 0 GEADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000535823396 650791094 /nfs/dbraw/zinc/79/10/94/650791094.db2.gz YKRDHOUIKZZWIO-UHFFFAOYSA-N 1 2 391.697 2.244 20 0 GEADLO CCc1ncc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000065645443 642883639 /nfs/dbraw/zinc/88/36/39/642883639.db2.gz GCQJZUNGVPKRTM-UHFFFAOYSA-N 1 2 379.507 2.268 20 0 GEADLO CC(=O)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000066411089 642912086 /nfs/dbraw/zinc/91/20/86/642912086.db2.gz RLJLGHZJPXNZHJ-ZDUSSCGKSA-N 1 2 391.693 2.006 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000068507009 643003728 /nfs/dbraw/zinc/00/37/28/643003728.db2.gz YXJSNDUUGGTBCH-DLBZAZTESA-N 1 2 384.929 2.069 20 0 GEADLO CC[C@@H]1CN(CCS(=O)(=O)CC[N@@H+]2CCS[C@H](CC)C2)CCS1 ZINC000072861394 643063180 /nfs/dbraw/zinc/06/31/80/643063180.db2.gz BROMLWKCOXOWDS-HZPDHXFCSA-N 1 2 380.645 2.056 20 0 GEADLO CC[C@@H]1CN(CCS(=O)(=O)CC[N@H+]2CCS[C@H](CC)C2)CCS1 ZINC000072861394 643063190 /nfs/dbraw/zinc/06/31/90/643063190.db2.gz BROMLWKCOXOWDS-HZPDHXFCSA-N 1 2 380.645 2.056 20 0 GEADLO CN(Cc1cc(Cl)ccc1Br)C[C@@H](O)C[NH+]1CCOCC1 ZINC000093583336 643078200 /nfs/dbraw/zinc/07/82/00/643078200.db2.gz MQIHTKRDOQTJEJ-CQSZACIVSA-N 1 2 377.710 2.227 20 0 GEADLO C[N@@H+](Cc1cc(Cl)ccc1Br)C[C@@H](O)CN1CCOCC1 ZINC000093583336 643078202 /nfs/dbraw/zinc/07/82/02/643078202.db2.gz MQIHTKRDOQTJEJ-CQSZACIVSA-N 1 2 377.710 2.227 20 0 GEADLO C[N@H+](Cc1cc(Cl)ccc1Br)C[C@@H](O)CN1CCOCC1 ZINC000093583336 643078203 /nfs/dbraw/zinc/07/82/03/643078203.db2.gz MQIHTKRDOQTJEJ-CQSZACIVSA-N 1 2 377.710 2.227 20 0 GEADLO CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000101913704 643118364 /nfs/dbraw/zinc/11/83/64/643118364.db2.gz WTHKFVJQHXMROF-ZDUSSCGKSA-N 1 2 397.317 2.411 20 0 GEADLO CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000101913704 643118369 /nfs/dbraw/zinc/11/83/69/643118369.db2.gz WTHKFVJQHXMROF-ZDUSSCGKSA-N 1 2 397.317 2.411 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2cc(F)ccc2Br)CCO1 ZINC000494729592 650815118 /nfs/dbraw/zinc/81/51/18/650815118.db2.gz OBVGSTDXKRIRQV-CQSZACIVSA-N 1 2 388.281 2.498 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(F)ccc2Br)CCO1 ZINC000494729592 650815119 /nfs/dbraw/zinc/81/51/19/650815119.db2.gz OBVGSTDXKRIRQV-CQSZACIVSA-N 1 2 388.281 2.498 20 0 GEADLO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000102751904 643135342 /nfs/dbraw/zinc/13/53/42/643135342.db2.gz JGQDBVMDNBRPRO-ZRVMKQEGSA-N 1 2 380.539 2.327 20 0 GEADLO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000102751904 643135349 /nfs/dbraw/zinc/13/53/49/643135349.db2.gz JGQDBVMDNBRPRO-ZRVMKQEGSA-N 1 2 380.539 2.327 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cccc(I)c2)C[C@H](C)[N@H+]1C ZINC000549927882 651103400 /nfs/dbraw/zinc/10/34/00/651103400.db2.gz HPUKWSNUXDPMQT-PHIMTYICSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cccc(I)c2)C[C@H](C)[N@@H+]1C ZINC000549927882 651103402 /nfs/dbraw/zinc/10/34/02/651103402.db2.gz HPUKWSNUXDPMQT-PHIMTYICSA-N 1 2 394.278 2.004 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[NH+](C(C)C)CC2)cc1Cl ZINC000104734470 643189097 /nfs/dbraw/zinc/18/90/97/643189097.db2.gz FOYFTDZQNRDOHG-UHFFFAOYSA-N 1 2 377.869 2.152 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)NC2(c3ccc(Br)cc3)CCC2)C1 ZINC000105235655 643202187 /nfs/dbraw/zinc/20/21/87/643202187.db2.gz LVDABMDFXMRFFH-HNNXBMFYSA-N 1 2 382.302 2.458 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)NC2(c3ccc(Br)cc3)CCC2)C1 ZINC000105235655 643202197 /nfs/dbraw/zinc/20/21/97/643202197.db2.gz LVDABMDFXMRFFH-HNNXBMFYSA-N 1 2 382.302 2.458 20 0 GEADLO CCOCCN1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000106104868 643221689 /nfs/dbraw/zinc/22/16/89/643221689.db2.gz SJNGTOTUQYLIOB-HNNXBMFYSA-N 1 2 377.312 2.387 20 0 GEADLO COc1ccc(Br)cc1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106581054 643234524 /nfs/dbraw/zinc/23/45/24/643234524.db2.gz NZESMWZHQWQOJW-LBPRGKRZSA-N 1 2 385.306 2.215 20 0 GEADLO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000106829429 643240180 /nfs/dbraw/zinc/24/01/80/643240180.db2.gz JNPVCCOPLOLFOX-INIZCTEOSA-N 1 2 384.929 2.103 20 0 GEADLO COc1cc[nH+]c(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1 ZINC000106859379 643241799 /nfs/dbraw/zinc/24/17/99/643241799.db2.gz YVDJVNOLYAFLOE-UHFFFAOYSA-N 1 2 381.885 2.250 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000107300848 643252864 /nfs/dbraw/zinc/25/28/64/643252864.db2.gz ZIUFPRWXGNXLOP-GFCCVEGCSA-N 1 2 384.889 2.000 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000107300848 643252869 /nfs/dbraw/zinc/25/28/69/643252869.db2.gz ZIUFPRWXGNXLOP-GFCCVEGCSA-N 1 2 384.889 2.000 20 0 GEADLO COCC[N@H+](CCOc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000108853356 643283745 /nfs/dbraw/zinc/28/37/45/643283745.db2.gz DILOSHGUOPOKRJ-CYBMUJFWSA-N 1 2 381.416 2.220 20 0 GEADLO COCC[N@@H+](CCOc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000108853356 643283752 /nfs/dbraw/zinc/28/37/52/643283752.db2.gz DILOSHGUOPOKRJ-CYBMUJFWSA-N 1 2 381.416 2.220 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000110921258 643322513 /nfs/dbraw/zinc/32/25/13/643322513.db2.gz NLGKHZZWTYXAIR-CQSZACIVSA-N 1 2 385.302 2.397 20 0 GEADLO Cc1ccccc1C[NH+]1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000496706339 650830706 /nfs/dbraw/zinc/83/07/06/650830706.db2.gz JPLXJQLVLADMAX-UHFFFAOYSA-N 1 2 377.286 2.173 20 0 GEADLO CNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000111264154 643331030 /nfs/dbraw/zinc/33/10/30/643331030.db2.gz ZCOULHKVVTZQGU-JTQLQIEISA-N 1 2 388.693 2.499 20 0 GEADLO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000111264154 643331038 /nfs/dbraw/zinc/33/10/38/643331038.db2.gz ZCOULHKVVTZQGU-JTQLQIEISA-N 1 2 388.693 2.499 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2ccc(Br)cc21 ZINC000112454268 643362157 /nfs/dbraw/zinc/36/21/57/643362157.db2.gz OKTJJEORAZIATI-CYBMUJFWSA-N 1 2 381.318 2.157 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2ccc(Br)cc21 ZINC000112454266 643362364 /nfs/dbraw/zinc/36/23/64/643362364.db2.gz OKTJJEORAZIATI-ZDUSSCGKSA-N 1 2 381.318 2.157 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000113003880 643380561 /nfs/dbraw/zinc/38/05/61/643380561.db2.gz OILJVKPGDMYWNS-JSGCOSHPSA-N 1 2 383.432 2.200 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000113003880 643380564 /nfs/dbraw/zinc/38/05/64/643380564.db2.gz OILJVKPGDMYWNS-JSGCOSHPSA-N 1 2 383.432 2.200 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2OCC(F)F)CC1 ZINC000497700960 650838969 /nfs/dbraw/zinc/83/89/69/650838969.db2.gz COCTYTAPPTTWFW-UHFFFAOYSA-N 1 2 375.803 2.087 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)c2cc1Cl ZINC000116889303 643473880 /nfs/dbraw/zinc/47/38/80/643473880.db2.gz VUASAXMJTWGYHD-ZDUSSCGKSA-N 1 2 384.885 2.132 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@H+]3CC[C@H](NS(C)(=O)=O)C3)c2cc1Cl ZINC000116889303 643473882 /nfs/dbraw/zinc/47/38/82/643473882.db2.gz VUASAXMJTWGYHD-ZDUSSCGKSA-N 1 2 384.885 2.132 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(OC)ccc2Cl)CC[N@@H+]1CCOC ZINC000117371872 643490234 /nfs/dbraw/zinc/49/02/34/643490234.db2.gz DREBDMUZHJTWIQ-ZDUSSCGKSA-N 1 2 376.906 2.080 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(OC)ccc2Cl)CC[N@H+]1CCOC ZINC000117371872 643490239 /nfs/dbraw/zinc/49/02/39/643490239.db2.gz DREBDMUZHJTWIQ-ZDUSSCGKSA-N 1 2 376.906 2.080 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117404284 643490604 /nfs/dbraw/zinc/49/06/04/643490604.db2.gz SQCMSSXVVZSRKI-SNVBAGLBSA-N 1 2 377.329 2.233 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCc3cccc(Br)c3C2)C[C@@H](C)O1 ZINC000118446739 643513022 /nfs/dbraw/zinc/51/30/22/643513022.db2.gz OWYUPHXDIYLTKP-IIAWOOMASA-N 1 2 383.330 2.277 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCc3cccc(Br)c3C2)C[C@@H](C)O1 ZINC000118446739 643513027 /nfs/dbraw/zinc/51/30/27/643513027.db2.gz OWYUPHXDIYLTKP-IIAWOOMASA-N 1 2 383.330 2.277 20 0 GEADLO CS(=O)(=O)N1CCN(c2ccc(NCc3ccc(Cl)s3)c[nH+]2)CC1 ZINC000119700426 643566797 /nfs/dbraw/zinc/56/67/97/643566797.db2.gz NFALZWLECSAFPQ-UHFFFAOYSA-N 1 2 386.930 2.490 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c(F)cc1Br ZINC000498458096 650857406 /nfs/dbraw/zinc/85/74/06/650857406.db2.gz RUVQDTXCOMWQTL-UHFFFAOYSA-N 1 2 384.249 2.142 20 0 GEADLO CCOC(=O)C[N@H+](Cn1nc(Br)c(=O)c2ccccc21)C1CC1 ZINC000124074035 643680848 /nfs/dbraw/zinc/68/08/48/643680848.db2.gz PHCDJFMFHAWOEH-UHFFFAOYSA-N 1 2 380.242 2.144 20 0 GEADLO CCOC(=O)C[N@@H+](Cn1nc(Br)c(=O)c2ccccc21)C1CC1 ZINC000124074035 643680851 /nfs/dbraw/zinc/68/08/51/643680851.db2.gz PHCDJFMFHAWOEH-UHFFFAOYSA-N 1 2 380.242 2.144 20 0 GEADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc(-c3cc(F)cc(Br)c3)[nH]n2)C1 ZINC000124883054 643692056 /nfs/dbraw/zinc/69/20/56/643692056.db2.gz SMQUGKOYUIABEK-CYBMUJFWSA-N 1 2 383.221 2.247 20 0 GEADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cc(-c3cc(F)cc(Br)c3)[nH]n2)C1 ZINC000124883054 643692059 /nfs/dbraw/zinc/69/20/59/643692059.db2.gz SMQUGKOYUIABEK-CYBMUJFWSA-N 1 2 383.221 2.247 20 0 GEADLO C[C@@H](CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000127597597 643780275 /nfs/dbraw/zinc/78/02/75/643780275.db2.gz DZLBFZUXGPFTQT-WMLDXEAASA-N 1 2 399.329 2.094 20 0 GEADLO CCOc1ccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)cn1 ZINC000541013868 650868563 /nfs/dbraw/zinc/86/85/63/650868563.db2.gz BPQFCPRWHQXBHY-UHFFFAOYSA-N 1 2 381.523 2.091 20 0 GEADLO CC(=O)[C@@H](NC(=O)C[NH2+][C@H](CCO)c1ccccc1Br)C(C)C ZINC000541022556 650868978 /nfs/dbraw/zinc/86/89/78/650868978.db2.gz IHHICGLZIVWTPI-WBVHZDCISA-N 1 2 385.302 2.192 20 0 GEADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCc3ccsc3C2)c1C ZINC000132964615 643890291 /nfs/dbraw/zinc/89/02/91/643890291.db2.gz CVRRSEXVEUYXEK-UHFFFAOYSA-N 1 2 379.507 2.009 20 0 GEADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCc3ccsc3C2)c1C ZINC000132964615 643890294 /nfs/dbraw/zinc/89/02/94/643890294.db2.gz CVRRSEXVEUYXEK-UHFFFAOYSA-N 1 2 379.507 2.009 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000134298399 643903595 /nfs/dbraw/zinc/90/35/95/643903595.db2.gz RIGCXMUSBCRLRK-SJKOYZFVSA-N 1 2 386.323 2.312 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000499258227 650877505 /nfs/dbraw/zinc/87/75/05/650877505.db2.gz YKXGUMNFYVLAGX-CJNGLKHVSA-N 1 2 394.313 2.103 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000499258227 650877508 /nfs/dbraw/zinc/87/75/08/650877508.db2.gz YKXGUMNFYVLAGX-CJNGLKHVSA-N 1 2 394.313 2.103 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@@H]1n1cc[nH+]c1 ZINC000151256184 643933051 /nfs/dbraw/zinc/93/30/51/643933051.db2.gz SCWFIUXMGXVVDV-OLZOCXBDSA-N 1 2 379.873 2.456 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000542019383 650886064 /nfs/dbraw/zinc/88/60/64/650886064.db2.gz DEYFUKJHMFKGEM-UHFFFAOYSA-N 1 2 390.328 2.446 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H](S(=O)(=O)NC)C3)c2cc1Cl ZINC000155777728 644080845 /nfs/dbraw/zinc/08/08/45/644080845.db2.gz ZIKKEZCFUHGWMQ-CYBMUJFWSA-N 1 2 384.885 2.132 20 0 GEADLO CCc1cc2oc(=O)cc(C[N@H+]3CC[C@@H](S(=O)(=O)NC)C3)c2cc1Cl ZINC000155777728 644080846 /nfs/dbraw/zinc/08/08/46/644080846.db2.gz ZIKKEZCFUHGWMQ-CYBMUJFWSA-N 1 2 384.885 2.132 20 0 GEADLO S=C1N=NC(Cc2cccs2)N1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000157061342 644128609 /nfs/dbraw/zinc/12/86/09/644128609.db2.gz FAGRUYBIKXMISH-UHFFFAOYSA-N 1 2 375.527 2.180 20 0 GEADLO O=c1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2)nc2sccn21 ZINC000542908111 650894408 /nfs/dbraw/zinc/89/44/08/650894408.db2.gz CSJUGCJFGAPWEC-CYBMUJFWSA-N 1 2 380.267 2.342 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000499928272 650894880 /nfs/dbraw/zinc/89/48/80/650894880.db2.gz YXQXYHYMRJRNDV-SNVBAGLBSA-N 1 2 375.803 2.085 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000499928272 650894881 /nfs/dbraw/zinc/89/48/81/650894881.db2.gz YXQXYHYMRJRNDV-SNVBAGLBSA-N 1 2 375.803 2.085 20 0 GEADLO Cc1nc(C)c(C[N@@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)s1 ZINC000158718050 644156466 /nfs/dbraw/zinc/15/64/66/644156466.db2.gz GURFFRURIJUXFY-UHFFFAOYSA-N 1 2 384.527 2.261 20 0 GEADLO Cc1nc(C)c(C[N@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)s1 ZINC000158718050 644156470 /nfs/dbraw/zinc/15/64/70/644156470.db2.gz GURFFRURIJUXFY-UHFFFAOYSA-N 1 2 384.527 2.261 20 0 GEADLO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000164613412 644266658 /nfs/dbraw/zinc/26/66/58/644266658.db2.gz MPEKRBQIOHTHBA-AAEUAGOBSA-N 1 2 392.257 2.089 20 0 GEADLO COC(=O)[C@@H](C)C[N@H+](Cc1nnnn1-c1ccccc1Br)C1CC1 ZINC000170820304 644289564 /nfs/dbraw/zinc/28/95/64/644289564.db2.gz CMCFMEHQXWHOMA-NSHDSACASA-N 1 2 394.273 2.198 20 0 GEADLO COC(=O)[C@@H](C)C[N@@H+](Cc1nnnn1-c1ccccc1Br)C1CC1 ZINC000170820304 644289572 /nfs/dbraw/zinc/28/95/72/644289572.db2.gz CMCFMEHQXWHOMA-NSHDSACASA-N 1 2 394.273 2.198 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000170861777 644292904 /nfs/dbraw/zinc/29/29/04/644292904.db2.gz NQNZDVHRWZMRLU-UHFFFAOYSA-N 1 2 399.285 2.061 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000170861777 644292909 /nfs/dbraw/zinc/29/29/09/644292909.db2.gz NQNZDVHRWZMRLU-UHFFFAOYSA-N 1 2 399.285 2.061 20 0 GEADLO Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1I ZINC000171095857 644307963 /nfs/dbraw/zinc/30/79/63/644307963.db2.gz IEGGFBRYTFNFPC-LBPRGKRZSA-N 1 2 388.249 2.050 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CC[NH+](CCCCCO)CC1 ZINC000171144077 644314155 /nfs/dbraw/zinc/31/41/55/644314155.db2.gz DHUXDURFQMMEAW-UHFFFAOYSA-N 1 2 381.325 2.462 20 0 GEADLO COC(=O)[C@H](O)C1CC[NH+](Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000543396342 650909770 /nfs/dbraw/zinc/90/97/70/650909770.db2.gz QGYOGXUXLGNALT-OAHLLOKOSA-N 1 2 396.285 2.151 20 0 GEADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCN(C(=O)c3cccs3)CC2)s1 ZINC000543548396 650913946 /nfs/dbraw/zinc/91/39/46/650913946.db2.gz JNCAEEZKAOWSRC-CYBMUJFWSA-N 1 2 378.523 2.148 20 0 GEADLO C[NH+](C)CCCNC(=O)C[C@H]1S/C(=N/c2ccc(F)c(Cl)c2)NC1=O ZINC000174891756 644384215 /nfs/dbraw/zinc/38/42/15/644384215.db2.gz QICANJBLRWJLAR-CYBMUJFWSA-N 1 2 386.880 2.156 20 0 GEADLO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@@H]2CCNC2=O)c2ccc(Cl)cc2)c1 ZINC000179048353 644451031 /nfs/dbraw/zinc/45/10/31/644451031.db2.gz VNIMMJPRSIAIKS-SJORKVTESA-N 1 2 378.881 2.311 20 0 GEADLO Cc1cc(Br)cc2cc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)oc21 ZINC000179455163 644460421 /nfs/dbraw/zinc/46/04/21/644460421.db2.gz ONBSLWXHUVWYGH-CQSZACIVSA-N 1 2 378.270 2.233 20 0 GEADLO CCOc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cn1 ZINC000543801658 650924770 /nfs/dbraw/zinc/92/47/70/650924770.db2.gz UAUHIOXSFHZRKO-ZDUSSCGKSA-N 1 2 381.523 2.267 20 0 GEADLO CCOc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cn1 ZINC000543801658 650924772 /nfs/dbraw/zinc/92/47/72/650924772.db2.gz UAUHIOXSFHZRKO-ZDUSSCGKSA-N 1 2 381.523 2.267 20 0 GEADLO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ncc(Br)s2)cc1 ZINC000543851454 650926305 /nfs/dbraw/zinc/92/63/05/650926305.db2.gz CDRFBPFEKDPYCI-UHFFFAOYSA-N 1 2 390.328 2.282 20 0 GEADLO Cc1cc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)nn1C ZINC000544775289 650953305 /nfs/dbraw/zinc/95/33/05/650953305.db2.gz RKQYCIWHSMGTBM-UHFFFAOYSA-N 1 2 376.258 2.420 20 0 GEADLO Cc1cnc([C@H](C)CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000183183573 644984729 /nfs/dbraw/zinc/98/47/29/644984729.db2.gz FHDNSICXWPEJIQ-DYVFJYSZSA-N 1 2 384.571 2.062 20 0 GEADLO CNC(=O)CN1CCC([NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000184994994 645031139 /nfs/dbraw/zinc/03/11/39/645031139.db2.gz HGNQTEWDEOJNCY-SNVBAGLBSA-N 1 2 388.281 2.155 20 0 GEADLO C[C@H](NC(=O)NNc1ccc(Br)c(F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000185355632 645042816 /nfs/dbraw/zinc/04/28/16/645042816.db2.gz BRJQKKPDOCSNJV-QWRGUYRKSA-N 1 2 389.269 2.324 20 0 GEADLO O=C(NCc1ccc(Cl)cc1F)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000186382645 645066506 /nfs/dbraw/zinc/06/65/06/645066506.db2.gz AOGYSJUQQHTDPJ-QGZVFWFLSA-N 1 2 387.908 2.486 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000545505865 650977359 /nfs/dbraw/zinc/97/73/59/650977359.db2.gz VXLVWPJJULTKIN-GFCCVEGCSA-N 1 2 382.258 2.214 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000545505865 650977363 /nfs/dbraw/zinc/97/73/63/650977363.db2.gz VXLVWPJJULTKIN-GFCCVEGCSA-N 1 2 382.258 2.214 20 0 GEADLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000186983387 645077964 /nfs/dbraw/zinc/07/79/64/645077964.db2.gz OKAPHDDSNUCXJB-UHFFFAOYSA-N 1 2 380.369 2.484 20 0 GEADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187038058 645080484 /nfs/dbraw/zinc/08/04/84/645080484.db2.gz ZUTIJEVKYAOXQP-BHDSKKPTSA-N 1 2 382.295 2.375 20 0 GEADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187038058 645080491 /nfs/dbraw/zinc/08/04/91/645080491.db2.gz ZUTIJEVKYAOXQP-BHDSKKPTSA-N 1 2 382.295 2.375 20 0 GEADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187038071 645080683 /nfs/dbraw/zinc/08/06/83/645080683.db2.gz ZUTIJEVKYAOXQP-BFVZDQMLSA-N 1 2 382.295 2.375 20 0 GEADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187038071 645080689 /nfs/dbraw/zinc/08/06/89/645080689.db2.gz ZUTIJEVKYAOXQP-BFVZDQMLSA-N 1 2 382.295 2.375 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188804627 645126588 /nfs/dbraw/zinc/12/65/88/645126588.db2.gz BROWDBLHCCAIQV-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CC[N@H+]1CC(C)(C)O ZINC000188804627 645126592 /nfs/dbraw/zinc/12/65/92/645126592.db2.gz BROWDBLHCCAIQV-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Br)[NH+]1CCSCC1 ZINC000189277157 645135898 /nfs/dbraw/zinc/13/58/98/645135898.db2.gz OAGGMDLHRGUDHB-SECBINFHSA-N 1 2 389.275 2.238 20 0 GEADLO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000545872077 650983196 /nfs/dbraw/zinc/98/31/96/650983196.db2.gz QOQUQBCOFYCJPW-UHFFFAOYSA-N 1 2 377.297 2.487 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000545504331 650977535 /nfs/dbraw/zinc/97/75/35/650977535.db2.gz HHLUGSDPJREMMR-IAQYHMDHSA-N 1 2 395.301 2.312 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000545504331 650977536 /nfs/dbraw/zinc/97/75/36/650977536.db2.gz HHLUGSDPJREMMR-IAQYHMDHSA-N 1 2 395.301 2.312 20 0 GEADLO CC[NH+](CC)[C@@H](CNS(=O)(=O)[C@H](C)C(=O)N(C)C)c1ccccc1Cl ZINC000192006181 645190364 /nfs/dbraw/zinc/19/03/64/645190364.db2.gz NCDATEXWKSUXTH-CJNGLKHVSA-N 1 2 389.949 2.119 20 0 GEADLO COCc1nnc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)s1 ZINC000546051352 650988974 /nfs/dbraw/zinc/98/89/74/650988974.db2.gz MRBYSNZDPIETTN-UHFFFAOYSA-N 1 2 382.287 3.058 20 0 GEADLO Cc1nnc(NC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)s1 ZINC000546051894 650989245 /nfs/dbraw/zinc/98/92/45/650989245.db2.gz FIVWBMNLPXLGAW-UHFFFAOYSA-N 1 2 395.286 2.929 20 0 GEADLO CCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192662061 645219569 /nfs/dbraw/zinc/21/95/69/645219569.db2.gz SYFRJIOPTIYQKW-QGZVFWFLSA-N 1 2 396.285 2.412 20 0 GEADLO CCCOc1ccc(Br)cc1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192662061 645219575 /nfs/dbraw/zinc/21/95/75/645219575.db2.gz SYFRJIOPTIYQKW-QGZVFWFLSA-N 1 2 396.285 2.412 20 0 GEADLO CNc1[nH+]cnc2c1cnn2C[C@@H](O)COc1ccc(Br)cc1 ZINC000193759078 645296866 /nfs/dbraw/zinc/29/68/66/645296866.db2.gz JHVZEMPFXANHQH-LLVKDONJSA-N 1 2 378.230 2.070 20 0 GEADLO Cc1cc(N2CC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2=O)ccc1Br ZINC000193829955 645302837 /nfs/dbraw/zinc/30/28/37/645302837.db2.gz CXIUXKOPTMVHLV-HNNXBMFYSA-N 1 2 391.269 2.335 20 0 GEADLO Cc1cc(N2CC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2=O)ccc1Br ZINC000193829955 645302844 /nfs/dbraw/zinc/30/28/44/645302844.db2.gz CXIUXKOPTMVHLV-HNNXBMFYSA-N 1 2 391.269 2.335 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000194022083 645308105 /nfs/dbraw/zinc/30/81/05/645308105.db2.gz FOVXZRWQXYOMAK-UONOGXRCSA-N 1 2 384.929 2.169 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000194022083 645308118 /nfs/dbraw/zinc/30/81/18/645308118.db2.gz FOVXZRWQXYOMAK-UONOGXRCSA-N 1 2 384.929 2.169 20 0 GEADLO O=S(=O)(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(Cl)s1 ZINC000245625902 645463345 /nfs/dbraw/zinc/46/33/45/645463345.db2.gz QIFNFHZFHRZHTC-UONOGXRCSA-N 1 2 386.926 2.315 20 0 GEADLO O=S(=O)(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(Cl)s1 ZINC000245625902 645463350 /nfs/dbraw/zinc/46/33/50/645463350.db2.gz QIFNFHZFHRZHTC-UONOGXRCSA-N 1 2 386.926 2.315 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1C(F)(F)F ZINC000245778821 645468752 /nfs/dbraw/zinc/46/87/52/645468752.db2.gz BOROLNVCORYLEG-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1C(F)(F)F ZINC000245778821 645468759 /nfs/dbraw/zinc/46/87/59/645468759.db2.gz BOROLNVCORYLEG-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1C(F)(F)F ZINC000245778815 645469033 /nfs/dbraw/zinc/46/90/33/645469033.db2.gz BOROLNVCORYLEG-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1C(F)(F)F ZINC000245778815 645469037 /nfs/dbraw/zinc/46/90/37/645469037.db2.gz BOROLNVCORYLEG-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO C[C@@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@@H](c2ccsc2)O1 ZINC000246379848 645482064 /nfs/dbraw/zinc/48/20/64/645482064.db2.gz HINBCUTYWHWJKC-DYVFJYSZSA-N 1 2 382.507 2.236 20 0 GEADLO C[C@@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@@H](c2ccsc2)O1 ZINC000246379848 645482074 /nfs/dbraw/zinc/48/20/74/645482074.db2.gz HINBCUTYWHWJKC-DYVFJYSZSA-N 1 2 382.507 2.236 20 0 GEADLO CCN(C(=O)C[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000247060456 645503023 /nfs/dbraw/zinc/50/30/23/645503023.db2.gz XLWIISNPGZJXTR-RHSMWYFYSA-N 1 2 386.945 2.238 20 0 GEADLO CCN(C(=O)C[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000247060456 645503035 /nfs/dbraw/zinc/50/30/35/645503035.db2.gz XLWIISNPGZJXTR-RHSMWYFYSA-N 1 2 386.945 2.238 20 0 GEADLO CSCc1nnc(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000247513555 645511605 /nfs/dbraw/zinc/51/16/05/645511605.db2.gz JELOIKOTLMUFLC-UHFFFAOYSA-N 1 2 378.523 2.369 20 0 GEADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000249711891 645558278 /nfs/dbraw/zinc/55/82/78/645558278.db2.gz FJSFNZNEYLRQSL-WFASDCNBSA-N 1 2 398.301 2.447 20 0 GEADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000249711891 645558280 /nfs/dbraw/zinc/55/82/80/645558280.db2.gz FJSFNZNEYLRQSL-WFASDCNBSA-N 1 2 398.301 2.447 20 0 GEADLO C/C(=C/C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1cccc(Cl)c1 ZINC000255091627 645576113 /nfs/dbraw/zinc/57/61/13/645576113.db2.gz ASFMLHFALIAOJS-OWBHPGMISA-N 1 2 384.929 2.369 20 0 GEADLO O=S(=O)(c1ccc2c(c1)OCO2)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261809015 645602177 /nfs/dbraw/zinc/60/21/77/645602177.db2.gz WQSFMUGXTJCUAX-HNNXBMFYSA-N 1 2 380.853 2.404 20 0 GEADLO C[C@H](C[NH2+]Cc1ncc(Br)cc1Br)S(C)(=O)=O ZINC000547515066 651029400 /nfs/dbraw/zinc/02/94/00/651029400.db2.gz BIVHDFKIXRJGNO-SSDOTTSWSA-N 1 2 386.109 2.129 20 0 GEADLO CSCC[C@@H]1NC(=S)N(c2cccc([C@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000264380703 645681822 /nfs/dbraw/zinc/68/18/22/645681822.db2.gz OMVXDOJNUNYNTI-BBRMVZONSA-N 1 2 379.551 2.423 20 0 GEADLO O=C(NCC[NH+]1CCSCC1)c1sccc1NC(=O)c1ccncc1 ZINC000264821502 645722140 /nfs/dbraw/zinc/72/21/40/645722140.db2.gz RAABPOJFALDFGW-UHFFFAOYSA-N 1 2 376.507 2.174 20 0 GEADLO O=C(NCc1cc2c(c(Br)c1)OCO2)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547630750 651039965 /nfs/dbraw/zinc/03/99/65/651039965.db2.gz HYDOTWZEBISDGW-LLVKDONJSA-N 1 2 393.241 2.189 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000265984220 645816291 /nfs/dbraw/zinc/81/62/91/645816291.db2.gz ZTYQYJNWTAJGPU-CJNGLKHVSA-N 1 2 396.329 2.020 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000265984220 645816292 /nfs/dbraw/zinc/81/62/92/645816292.db2.gz ZTYQYJNWTAJGPU-CJNGLKHVSA-N 1 2 396.329 2.020 20 0 GEADLO Cc1nc(CN2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)cs1 ZINC000265986199 645816957 /nfs/dbraw/zinc/81/69/57/645816957.db2.gz HICXSHPKOMELJH-UHFFFAOYSA-N 1 2 376.555 2.117 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000267576605 645909648 /nfs/dbraw/zinc/90/96/48/645909648.db2.gz PVIYXKCMIMSUET-UHFFFAOYSA-N 1 2 383.857 2.418 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1cccc(Br)c1 ZINC000547942152 651057916 /nfs/dbraw/zinc/05/79/16/651057916.db2.gz REDFEVRMUXVTPS-UHFFFAOYSA-N 1 2 394.273 2.622 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)c2cncc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000268231609 645956288 /nfs/dbraw/zinc/95/62/88/645956288.db2.gz FSANNSKMRNVFMC-SMDDNHRTSA-N 1 2 385.287 2.312 20 0 GEADLO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000548023789 651061394 /nfs/dbraw/zinc/06/13/94/651061394.db2.gz CGDCWUNWNFFNKY-MRXNPFEDSA-N 1 2 385.277 2.440 20 0 GEADLO O=S(=O)(Nc1cc[nH+]cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000268431728 645967345 /nfs/dbraw/zinc/96/73/45/645967345.db2.gz IKSCABJVJDBDCV-UHFFFAOYSA-N 1 2 381.479 2.057 20 0 GEADLO COC[C@@H](CCO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000270022457 646084220 /nfs/dbraw/zinc/08/42/20/646084220.db2.gz ARXQNZALDFJPOB-CVEARBPZSA-N 1 2 385.302 2.100 20 0 GEADLO O=C(c1cncc(I)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270148202 646087989 /nfs/dbraw/zinc/08/79/89/646087989.db2.gz CGWXWSZHTOUXAQ-JTQLQIEISA-N 1 2 382.205 2.429 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270589446 646123376 /nfs/dbraw/zinc/12/33/76/646123376.db2.gz DVIDPSCDWSZPJD-WPRPVWTQSA-N 1 2 378.782 2.428 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270589446 646123377 /nfs/dbraw/zinc/12/33/77/646123377.db2.gz DVIDPSCDWSZPJD-WPRPVWTQSA-N 1 2 378.782 2.428 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)Cn2cc(Br)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270706875 646130518 /nfs/dbraw/zinc/13/05/18/646130518.db2.gz NMFMRMWLQCRCKC-HOCLYGCPSA-N 1 2 399.239 2.485 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)Cn2cc(Br)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270706875 646130522 /nfs/dbraw/zinc/13/05/22/646130522.db2.gz NMFMRMWLQCRCKC-HOCLYGCPSA-N 1 2 399.239 2.485 20 0 GEADLO COc1cc(Br)cc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000270843245 646141015 /nfs/dbraw/zinc/14/10/15/646141015.db2.gz IQSNMJAYNOQHTH-UHFFFAOYSA-N 1 2 395.257 2.141 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc(C)c1Br ZINC000277267911 646396146 /nfs/dbraw/zinc/39/61/46/646396146.db2.gz RIFBCCWYWHWZHT-LBPRGKRZSA-N 1 2 379.258 2.406 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCS(=O)(=O)CC[C@H]3C)c[nH+]c12 ZINC000277378020 646410041 /nfs/dbraw/zinc/41/00/41/646410041.db2.gz GBBOHBLSDSQSNV-GFCCVEGCSA-N 1 2 386.315 2.414 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000277801438 646473412 /nfs/dbraw/zinc/47/34/12/646473412.db2.gz GKNWTDSEVNQWOQ-UHFFFAOYSA-N 1 2 391.269 2.404 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)NCCCCNc1cccc[nH+]1 ZINC000278096347 646492995 /nfs/dbraw/zinc/49/29/95/646492995.db2.gz ZADIBLQDYHRQJQ-UHFFFAOYSA-N 1 2 379.258 2.496 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000278257502 646506975 /nfs/dbraw/zinc/50/69/75/646506975.db2.gz HXEOQGVSVNSUPD-KGLIPLIRSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000278257502 646506979 /nfs/dbraw/zinc/50/69/79/646506979.db2.gz HXEOQGVSVNSUPD-KGLIPLIRSA-N 1 2 376.266 2.434 20 0 GEADLO Cn1cc(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)nc1Cl ZINC000278604111 646530017 /nfs/dbraw/zinc/53/00/17/646530017.db2.gz CECMCAHYDLAXLW-UHFFFAOYSA-N 1 2 383.905 2.175 20 0 GEADLO C[C@H]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)C[C@@H]1n1cc[nH+]c1 ZINC000278824998 646553739 /nfs/dbraw/zinc/55/37/39/646553739.db2.gz UTGUVBPZCZXSFT-AAEUAGOBSA-N 1 2 379.258 2.398 20 0 GEADLO C[C@@H]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)C[C@H]1n1cc[nH+]c1 ZINC000278825001 646553799 /nfs/dbraw/zinc/55/37/99/646553799.db2.gz UTGUVBPZCZXSFT-DGCLKSJQSA-N 1 2 379.258 2.398 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ncc(Cn2cc(Br)cn2)s1 ZINC000279068935 646575536 /nfs/dbraw/zinc/57/55/36/646575536.db2.gz TVZUBXSSWIJMTP-LBPRGKRZSA-N 1 2 399.362 2.198 20 0 GEADLO Cc1nn(C)c(C[NH2+]Cc2cccnc2N2CCOCC2)c1Br ZINC000279107353 646578537 /nfs/dbraw/zinc/57/85/37/646578537.db2.gz JXTGLVBEYFVVHG-UHFFFAOYSA-N 1 2 380.290 2.012 20 0 GEADLO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000280625917 646699644 /nfs/dbraw/zinc/69/96/44/646699644.db2.gz SGTHVEZEYOGALZ-LLVKDONJSA-N 1 2 397.299 2.475 20 0 GEADLO COC(C)(C)CS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000281218479 646754931 /nfs/dbraw/zinc/75/49/31/646754931.db2.gz RATZQLKLOFHDRV-UHFFFAOYSA-N 1 2 376.469 2.274 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1Cl)N1CC[NH+](C2CCOCC2)CC1 ZINC000281366378 646765366 /nfs/dbraw/zinc/76/53/66/646765366.db2.gz FYPWABXNXXDLSI-UHFFFAOYSA-N 1 2 379.309 2.479 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccc(I)cc1 ZINC000281403340 646768783 /nfs/dbraw/zinc/76/87/83/646768783.db2.gz YUKSMUIWGZNPNX-NEPJUHHUSA-N 1 2 399.232 2.460 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000282166791 646817577 /nfs/dbraw/zinc/81/75/77/646817577.db2.gz IZKJQKBCGRSNSB-ZDUSSCGKSA-N 1 2 382.302 2.055 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CCc1cc(Br)ccc1F ZINC000286021485 646864705 /nfs/dbraw/zinc/86/47/05/646864705.db2.gz RYWFKJPRXLCNBD-ZDUSSCGKSA-N 1 2 381.205 2.017 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CCc1cc(Br)ccc1F ZINC000286021485 646864707 /nfs/dbraw/zinc/86/47/07/646864707.db2.gz RYWFKJPRXLCNBD-ZDUSSCGKSA-N 1 2 381.205 2.017 20 0 GEADLO COc1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c(Br)c1O ZINC000289181650 646927149 /nfs/dbraw/zinc/92/71/49/646927149.db2.gz AIZGMSGRNWUYRR-JSGCOSHPSA-N 1 2 385.302 2.458 20 0 GEADLO COc1ccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c(Br)c1O ZINC000289181650 646927152 /nfs/dbraw/zinc/92/71/52/646927152.db2.gz AIZGMSGRNWUYRR-JSGCOSHPSA-N 1 2 385.302 2.458 20 0 GEADLO COc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c(Br)c1O ZINC000289181662 646927559 /nfs/dbraw/zinc/92/75/59/646927559.db2.gz AIZGMSGRNWUYRR-TZMCWYRMSA-N 1 2 385.302 2.458 20 0 GEADLO COc1ccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c(Br)c1O ZINC000289181662 646927561 /nfs/dbraw/zinc/92/75/61/646927561.db2.gz AIZGMSGRNWUYRR-TZMCWYRMSA-N 1 2 385.302 2.458 20 0 GEADLO C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1ccccc1S(N)(=O)=O ZINC000292664547 647203791 /nfs/dbraw/zinc/20/37/91/647203791.db2.gz ISRQYFCLJPDCMP-UHFFFAOYSA-N 1 2 382.869 2.391 20 0 GEADLO C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1ccccc1S(N)(=O)=O ZINC000292664547 647203796 /nfs/dbraw/zinc/20/37/96/647203796.db2.gz ISRQYFCLJPDCMP-UHFFFAOYSA-N 1 2 382.869 2.391 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000308682283 647280509 /nfs/dbraw/zinc/28/05/09/647280509.db2.gz OODWLARNRIFZHK-UHFFFAOYSA-N 1 2 386.246 2.198 20 0 GEADLO Cn1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(-c2ccc(Cl)s2)n1 ZINC000330013236 647328862 /nfs/dbraw/zinc/32/88/62/647328862.db2.gz LWSITHZXBIPKGS-GFCCVEGCSA-N 1 2 380.901 2.349 20 0 GEADLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C)CC1 ZINC000330757311 647351577 /nfs/dbraw/zinc/35/15/77/647351577.db2.gz IEEOGXUARHZXFX-AWEZNQCLSA-N 1 2 380.432 2.091 20 0 GEADLO Cn1nc(-c2ccc(Cl)s2)cc1N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348643501 647496003 /nfs/dbraw/zinc/49/60/03/647496003.db2.gz FIGACUZUTIRQNU-JTQLQIEISA-N 1 2 376.829 2.193 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2SC)C1 ZINC000362337827 647569895 /nfs/dbraw/zinc/56/98/95/647569895.db2.gz YTINLFVMXDGARM-LBPRGKRZSA-N 1 2 379.345 2.295 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2SC)C1 ZINC000362337827 647569898 /nfs/dbraw/zinc/56/98/98/647569898.db2.gz YTINLFVMXDGARM-LBPRGKRZSA-N 1 2 379.345 2.295 20 0 GEADLO NS(=O)(=O)CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000363015848 647579130 /nfs/dbraw/zinc/57/91/30/647579130.db2.gz JYGZFKIVOZWKJA-ZDUSSCGKSA-N 1 2 380.297 2.075 20 0 GEADLO NS(=O)(=O)CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000363015848 647579135 /nfs/dbraw/zinc/57/91/35/647579135.db2.gz JYGZFKIVOZWKJA-ZDUSSCGKSA-N 1 2 380.297 2.075 20 0 GEADLO O=C(C[NH+]1CCC(NC(=O)C2CCC2)CC1)Nc1ccc(Br)cn1 ZINC000363467357 647595945 /nfs/dbraw/zinc/59/59/45/647595945.db2.gz JLFDCKZQPUQCMK-UHFFFAOYSA-N 1 2 395.301 2.163 20 0 GEADLO Cc1csc(NC(=O)C2CC[NH+]([C@@H](C)C(=O)NCC(F)(F)F)CC2)n1 ZINC000363503950 647597840 /nfs/dbraw/zinc/59/78/40/647597840.db2.gz ATKQGJDBENSOHY-JTQLQIEISA-N 1 2 378.420 2.169 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000363566104 647601010 /nfs/dbraw/zinc/60/10/10/647601010.db2.gz MOGMWKOPYLLCPP-HZPDHXFCSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000363566104 647601011 /nfs/dbraw/zinc/60/10/11/647601011.db2.gz MOGMWKOPYLLCPP-HZPDHXFCSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC1 ZINC000365262404 647665261 /nfs/dbraw/zinc/66/52/61/647665261.db2.gz AKZAXEZTEBYROY-UHFFFAOYSA-N 1 2 389.283 2.288 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC1 ZINC000365262404 647665267 /nfs/dbraw/zinc/66/52/67/647665267.db2.gz AKZAXEZTEBYROY-UHFFFAOYSA-N 1 2 389.283 2.288 20 0 GEADLO COC(=O)[C@H]1C[C@H](NC(=O)CCc2cc(Cl)ccc2Br)C[NH2+]1 ZINC000365759529 647686213 /nfs/dbraw/zinc/68/62/13/647686213.db2.gz UECHGAGBSDQTJY-WCQYABFASA-N 1 2 389.677 2.055 20 0 GEADLO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368175404 647752558 /nfs/dbraw/zinc/75/25/58/647752558.db2.gz APQGJKIXQMYXAS-HOTGVXAUSA-N 1 2 388.295 2.189 20 0 GEADLO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368175404 647752570 /nfs/dbraw/zinc/75/25/70/647752570.db2.gz APQGJKIXQMYXAS-HOTGVXAUSA-N 1 2 388.295 2.189 20 0 GEADLO Cc1nn(C)c(C[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)c1Br ZINC000368518287 647757197 /nfs/dbraw/zinc/75/71/97/647757197.db2.gz LKCSCBZLFYCCMR-ZDUSSCGKSA-N 1 2 393.285 2.221 20 0 GEADLO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000370201761 647782213 /nfs/dbraw/zinc/78/22/13/647782213.db2.gz OECRQLCQPOKEKL-OAHLLOKOSA-N 1 2 381.416 2.248 20 0 GEADLO CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000370201761 647782219 /nfs/dbraw/zinc/78/22/19/647782219.db2.gz OECRQLCQPOKEKL-OAHLLOKOSA-N 1 2 381.416 2.248 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1)c1ccc(Br)cc1 ZINC000372616246 647810044 /nfs/dbraw/zinc/81/00/44/647810044.db2.gz FAJBBOPILMOTIP-PXAZEXFGSA-N 1 2 396.285 2.201 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@]2(CNC(=O)O2)C1)c1ccc(Br)cc1 ZINC000372616246 647810049 /nfs/dbraw/zinc/81/00/49/647810049.db2.gz FAJBBOPILMOTIP-PXAZEXFGSA-N 1 2 396.285 2.201 20 0 GEADLO Cn1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)nc1Cl ZINC000374315573 647821013 /nfs/dbraw/zinc/82/10/13/647821013.db2.gz VPXVNRSOWASDBJ-LBPRGKRZSA-N 1 2 375.281 2.062 20 0 GEADLO FC(F)(F)Cn1nnc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)n1 ZINC000374316617 647821028 /nfs/dbraw/zinc/82/10/28/647821028.db2.gz YNKCSKYPGSFQRM-CQSZACIVSA-N 1 2 375.782 2.380 20 0 GEADLO Cc1[nH]cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(=O)c1Br ZINC000376100220 647839680 /nfs/dbraw/zinc/83/96/80/647839680.db2.gz ZNUGIVJJDIZQOO-NSHDSACASA-N 1 2 379.258 2.199 20 0 GEADLO O=C1NC[C@@H]2C[N@H+](Cc3nc(-c4ccc(Br)s4)no3)CC[C@H]12 ZINC000377664321 647864061 /nfs/dbraw/zinc/86/40/61/647864061.db2.gz DVNRQHWHBHVSFH-BDAKNGLRSA-N 1 2 383.271 2.129 20 0 GEADLO O=C1NC[C@@H]2C[N@@H+](Cc3nc(-c4ccc(Br)s4)no3)CC[C@H]12 ZINC000377664321 647864063 /nfs/dbraw/zinc/86/40/63/647864063.db2.gz DVNRQHWHBHVSFH-BDAKNGLRSA-N 1 2 383.271 2.129 20 0 GEADLO COC1(CO)CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000401723835 647903432 /nfs/dbraw/zinc/90/34/32/647903432.db2.gz BUMZZTVYVAWUTN-UHFFFAOYSA-N 1 2 375.238 2.000 20 0 GEADLO OCC1(O)CC[NH+](Cc2cc(Cl)ccc2I)CC1 ZINC000405225949 647909619 /nfs/dbraw/zinc/90/96/19/647909619.db2.gz SSIJLTBUMKMLHG-UHFFFAOYSA-N 1 2 381.641 2.264 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c(Br)c1 ZINC000408035773 647920102 /nfs/dbraw/zinc/92/01/02/647920102.db2.gz NKFQKJCDSBEGOA-GJZGRUSLSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(Br)c1 ZINC000408035773 647920109 /nfs/dbraw/zinc/92/01/09/647920109.db2.gz NKFQKJCDSBEGOA-GJZGRUSLSA-N 1 2 384.274 2.395 20 0 GEADLO COc1cccc(S(=O)(=O)CC[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000409449564 647961103 /nfs/dbraw/zinc/96/11/03/647961103.db2.gz PXWVCRPYVYYTTK-RDJZCZTQSA-N 1 2 385.551 2.455 20 0 GEADLO COc1cccc(S(=O)(=O)CC[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000409449564 647961109 /nfs/dbraw/zinc/96/11/09/647961109.db2.gz PXWVCRPYVYYTTK-RDJZCZTQSA-N 1 2 385.551 2.455 20 0 GEADLO CNc1cc(I)ccc1C(=O)NCCCn1cc[nH+]c1 ZINC000411165776 648025398 /nfs/dbraw/zinc/02/53/98/648025398.db2.gz SWZXKUSPEUDGEG-UHFFFAOYSA-N 1 2 384.221 2.350 20 0 GEADLO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414341388 648096635 /nfs/dbraw/zinc/09/66/35/648096635.db2.gz LJEOBMNSZQYJKO-DTWKUNHWSA-N 1 2 382.313 2.205 20 0 GEADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000416412578 648117593 /nfs/dbraw/zinc/11/75/93/648117593.db2.gz ACDSDDMVEMZIOC-UHFFFAOYSA-N 1 2 383.857 2.418 20 0 GEADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000419729568 648371642 /nfs/dbraw/zinc/37/16/42/648371642.db2.gz OTHWCWASLKRJDD-CPCISQLKSA-N 1 2 377.080 2.221 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H](O)CSc2nnc(NCc3ccco3)s2)C[C@H](C)O1 ZINC000512493025 648407944 /nfs/dbraw/zinc/40/79/44/648407944.db2.gz BPQTWHLOHZTIFX-FRRDWIJNSA-N 1 2 384.527 2.305 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H](O)CSc2nnc(NCc3ccco3)s2)C[C@H](C)O1 ZINC000512493025 648407948 /nfs/dbraw/zinc/40/79/48/648407948.db2.gz BPQTWHLOHZTIFX-FRRDWIJNSA-N 1 2 384.527 2.305 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420695094 648437263 /nfs/dbraw/zinc/43/72/63/648437263.db2.gz CZGNCKVGCFVCGR-UHFFFAOYSA-N 1 2 382.507 2.361 20 0 GEADLO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000420698580 648438055 /nfs/dbraw/zinc/43/80/55/648438055.db2.gz LQCDQAQVVKFIAY-UHFFFAOYSA-N 1 2 382.507 2.197 20 0 GEADLO CNC(=O)[C@@H]1CC[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000421389854 648489992 /nfs/dbraw/zinc/48/99/92/648489992.db2.gz MSASHAMNCQOHIX-MRVPVSSYSA-N 1 2 377.080 2.175 20 0 GEADLO CNC(=O)[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000421389854 648489994 /nfs/dbraw/zinc/48/99/94/648489994.db2.gz MSASHAMNCQOHIX-MRVPVSSYSA-N 1 2 377.080 2.175 20 0 GEADLO Cc1cc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc(C)[nH+]1 ZINC000421576154 648497499 /nfs/dbraw/zinc/49/74/99/648497499.db2.gz LXNFRSQZPSDDSL-OAHLLOKOSA-N 1 2 379.507 2.229 20 0 GEADLO O=C(NCc1cc(Cl)sc1Cl)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424520104 648632256 /nfs/dbraw/zinc/63/22/56/648632256.db2.gz KFHDUJFALXYYDU-MRVPVSSYSA-N 1 2 386.251 2.032 20 0 GEADLO COc1ncc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1Br ZINC000424700930 648640073 /nfs/dbraw/zinc/64/00/73/648640073.db2.gz FVMVTSYVTFDVET-UHFFFAOYSA-N 1 2 386.290 2.036 20 0 GEADLO COCC(C)(C)[NH+]1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000424989967 648659671 /nfs/dbraw/zinc/65/96/71/648659671.db2.gz JXGGIUUSTQUZOV-UHFFFAOYSA-N 1 2 389.265 2.477 20 0 GEADLO O=S(=O)(CCc1ccc(Cl)cc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000425183043 648667728 /nfs/dbraw/zinc/66/77/28/648667728.db2.gz BBJPXELUGFGAQB-QGZVFWFLSA-N 1 2 386.945 2.257 20 0 GEADLO CC(C)[C@H]1C[N@H+](C)CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000425477671 648679924 /nfs/dbraw/zinc/67/99/24/648679924.db2.gz MCQKLFPGHKWXER-MRXNPFEDSA-N 1 2 389.359 2.495 20 0 GEADLO CC(C)[C@H]1C[N@@H+](C)CCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000425477671 648679928 /nfs/dbraw/zinc/67/99/28/648679928.db2.gz MCQKLFPGHKWXER-MRXNPFEDSA-N 1 2 389.359 2.495 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H](CO)[C@H]3C)[nH+]c12 ZINC000426190552 648707172 /nfs/dbraw/zinc/70/71/72/648707172.db2.gz GNQSTNKCGCMMOU-OLZOCXBDSA-N 1 2 395.301 2.360 20 0 GEADLO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000426524769 648710754 /nfs/dbraw/zinc/71/07/54/648710754.db2.gz PYBZMPSLOXMFCO-HNNXBMFYSA-N 1 2 380.794 2.176 20 0 GEADLO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000426524769 648710759 /nfs/dbraw/zinc/71/07/59/648710759.db2.gz PYBZMPSLOXMFCO-HNNXBMFYSA-N 1 2 380.794 2.176 20 0 GEADLO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000426796750 648715718 /nfs/dbraw/zinc/71/57/18/648715718.db2.gz BWASEUIJJPVDFV-OAHLLOKOSA-N 1 2 379.810 2.429 20 0 GEADLO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(S(N)(=O)=O)s3)cc2)c1C ZINC000428588322 648739453 /nfs/dbraw/zinc/73/94/53/648739453.db2.gz ZRVPJJXEMQKGEG-UHFFFAOYSA-N 1 2 376.463 2.450 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000429896609 648758356 /nfs/dbraw/zinc/75/83/56/648758356.db2.gz QUOSLXSIOIUNDM-OAHLLOKOSA-N 1 2 382.917 2.359 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000429896609 648758359 /nfs/dbraw/zinc/75/83/59/648758359.db2.gz QUOSLXSIOIUNDM-OAHLLOKOSA-N 1 2 382.917 2.359 20 0 GEADLO CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)c2csc(C[NH3+])n2)cc1 ZINC000430525696 648762194 /nfs/dbraw/zinc/76/21/94/648762194.db2.gz OUGROODVTQFVGX-UHFFFAOYSA-N 1 2 381.523 2.103 20 0 GEADLO Cc1ccc([C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)[C@H](C)S(C)(=O)=O)cc1 ZINC000435895879 648789223 /nfs/dbraw/zinc/78/92/23/648789223.db2.gz CWKZGMXEVUGFST-SWLSCSKDSA-N 1 2 380.432 2.080 20 0 GEADLO Cc1csc(NC(=O)C[NH2+][C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)n1 ZINC000435894830 648789341 /nfs/dbraw/zinc/78/93/41/648789341.db2.gz XLCREPKPXRSQMG-CZUORRHYSA-N 1 2 381.523 2.462 20 0 GEADLO C[NH+](C)C1(CNC(=O)c2cc(F)cc(Br)c2O)CCOCC1 ZINC000436854355 648797254 /nfs/dbraw/zinc/79/72/54/648797254.db2.gz FBYHDCRCPZELSY-UHFFFAOYSA-N 1 2 375.238 2.134 20 0 GEADLO COC(=O)C[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000441144922 648821264 /nfs/dbraw/zinc/82/12/64/648821264.db2.gz VHIPDHQWBPFIRD-ZDUSSCGKSA-N 1 2 390.299 2.250 20 0 GEADLO COC(=O)C[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000441144922 648821270 /nfs/dbraw/zinc/82/12/70/648821270.db2.gz VHIPDHQWBPFIRD-ZDUSSCGKSA-N 1 2 390.299 2.250 20 0 GEADLO CO[C@H](C)CS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000443046210 648857298 /nfs/dbraw/zinc/85/72/98/648857298.db2.gz SRIVGSNWCDMMPN-DQYPLSBCSA-N 1 2 376.469 2.443 20 0 GEADLO CO[C@H](C)CS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000443046210 648857304 /nfs/dbraw/zinc/85/73/04/648857304.db2.gz SRIVGSNWCDMMPN-DQYPLSBCSA-N 1 2 376.469 2.443 20 0 GEADLO O=S(=O)(NCC[NH+]1CCC1)c1cc(Br)ccc1Br ZINC000443717223 648885033 /nfs/dbraw/zinc/88/50/33/648885033.db2.gz IWXZPMVVCJMXSP-UHFFFAOYSA-N 1 2 398.120 2.196 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1cccc(Br)c1Cl ZINC000549213989 651093440 /nfs/dbraw/zinc/09/34/40/651093440.db2.gz GZEMQWGGGUYPSE-UHFFFAOYSA-N 1 2 385.649 2.444 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000551293843 651121900 /nfs/dbraw/zinc/12/19/00/651121900.db2.gz KBUFHLQXXDPINW-UHFFFAOYSA-N 1 2 376.722 2.227 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(Br)c(F)c1)C2 ZINC000552007280 651137640 /nfs/dbraw/zinc/13/76/40/651137640.db2.gz SLUBPILSVOMOGW-LBPRGKRZSA-N 1 2 396.260 2.373 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc(F)cc(Br)c1)C2 ZINC000552157986 651141865 /nfs/dbraw/zinc/14/18/65/651141865.db2.gz UUFMYWAGKGLKOA-CQSZACIVSA-N 1 2 396.260 2.373 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCc2ccc(Br)cc2)C1 ZINC000552168347 651142345 /nfs/dbraw/zinc/14/23/45/651142345.db2.gz ARWVPMBHQLROHA-OAHLLOKOSA-N 1 2 397.313 2.383 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCc2ccc(Br)cc2)C1 ZINC000552168347 651142350 /nfs/dbraw/zinc/14/23/50/651142350.db2.gz ARWVPMBHQLROHA-OAHLLOKOSA-N 1 2 397.313 2.383 20 0 GEADLO CCCCNc1cc(NCCCCn2cc(Br)cn2)nc(N)[nH+]1 ZINC000553231782 651168614 /nfs/dbraw/zinc/16/86/14/651168614.db2.gz DSFCLWQKFZTZEG-UHFFFAOYSA-N 1 2 382.310 2.544 20 0 GEADLO CCCCNc1cc(NCCCCn2cc(Br)cn2)[nH+]c(N)n1 ZINC000553231782 651168615 /nfs/dbraw/zinc/16/86/15/651168615.db2.gz DSFCLWQKFZTZEG-UHFFFAOYSA-N 1 2 382.310 2.544 20 0 GEADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cnn2cc(Br)cnc12 ZINC000553615265 651183296 /nfs/dbraw/zinc/18/32/96/651183296.db2.gz HVUDHHUNGJNXPH-UHFFFAOYSA-N 1 2 398.224 2.384 20 0 GEADLO C[C@H](C(=O)N[C@H](CO)c1ccc(Br)c(F)c1)[NH+]1CCSCC1 ZINC000554148312 651198825 /nfs/dbraw/zinc/19/88/25/651198825.db2.gz CVFPEBJYXQNFQM-QMTHXVAHSA-N 1 2 391.306 2.175 20 0 GEADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2ccc(Br)cc2)C[C@H]1O ZINC000556085491 651236173 /nfs/dbraw/zinc/23/61/73/651236173.db2.gz UOFTWMZQURHECV-JKSUJKDBSA-N 1 2 399.329 2.268 20 0 GEADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2ccc(Br)cc2)C[C@H]1O ZINC000556085491 651236178 /nfs/dbraw/zinc/23/61/78/651236178.db2.gz UOFTWMZQURHECV-JKSUJKDBSA-N 1 2 399.329 2.268 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000556454481 651244439 /nfs/dbraw/zinc/24/44/39/651244439.db2.gz RIGUTDXIUULKLB-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000556454481 651244442 /nfs/dbraw/zinc/24/44/42/651244442.db2.gz RIGUTDXIUULKLB-CYBMUJFWSA-N 1 2 382.302 2.238 20 0 GEADLO OCc1cn([C@H]2CCC[N@H+](Cc3cn4ccc(Br)cc4n3)C2)nn1 ZINC000556933964 651257523 /nfs/dbraw/zinc/25/75/23/651257523.db2.gz QJBPRRHBDKLMCA-HNNXBMFYSA-N 1 2 391.273 2.018 20 0 GEADLO OCc1cn([C@H]2CCC[N@@H+](Cc3cn4ccc(Br)cc4n3)C2)nn1 ZINC000556933964 651257525 /nfs/dbraw/zinc/25/75/25/651257525.db2.gz QJBPRRHBDKLMCA-HNNXBMFYSA-N 1 2 391.273 2.018 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000556989662 651259539 /nfs/dbraw/zinc/25/95/39/651259539.db2.gz GJWHXUYLTVFLME-GFCCVEGCSA-N 1 2 389.279 2.373 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000556989662 651259546 /nfs/dbraw/zinc/25/95/46/651259546.db2.gz GJWHXUYLTVFLME-GFCCVEGCSA-N 1 2 389.279 2.373 20 0 GEADLO NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)s1 ZINC000560640170 651313174 /nfs/dbraw/zinc/31/31/74/651313174.db2.gz IBMYCIHXMPOIBS-UHFFFAOYSA-N 1 2 382.854 2.487 20 0 GEADLO COC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCCc3ccc(Br)cc32)nn1 ZINC000603239676 651473316 /nfs/dbraw/zinc/47/33/16/651473316.db2.gz JOLGQWXLAATFHZ-GJZGRUSLSA-N 1 2 379.258 2.009 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000642773244 651474792 /nfs/dbraw/zinc/47/47/92/651474792.db2.gz GCBZOBBEWHIPGT-KBPBESRZSA-N 1 2 379.309 2.213 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@@H](C)C1 ZINC000561149050 651475396 /nfs/dbraw/zinc/47/53/96/651475396.db2.gz UEFZDIQOQRSDPH-NSHDSACASA-N 1 2 378.270 2.457 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@@H](C)C1 ZINC000561149050 651475399 /nfs/dbraw/zinc/47/53/99/651475399.db2.gz UEFZDIQOQRSDPH-NSHDSACASA-N 1 2 378.270 2.457 20 0 GEADLO CC[S@](=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000603295495 651477729 /nfs/dbraw/zinc/47/77/29/651477729.db2.gz ZGDVBAUPNLGXJX-JOWJHRDDSA-N 1 2 384.567 2.033 20 0 GEADLO CC[S@](=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000603295495 651477731 /nfs/dbraw/zinc/47/77/31/651477731.db2.gz ZGDVBAUPNLGXJX-JOWJHRDDSA-N 1 2 384.567 2.033 20 0 GEADLO CC[S@](=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000603295499 651477800 /nfs/dbraw/zinc/47/78/00/651477800.db2.gz ZGDVBAUPNLGXJX-YWTKSJFSSA-N 1 2 384.567 2.033 20 0 GEADLO CC[S@](=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000603295499 651477802 /nfs/dbraw/zinc/47/78/02/651477802.db2.gz ZGDVBAUPNLGXJX-YWTKSJFSSA-N 1 2 384.567 2.033 20 0 GEADLO C[C@@H]1C[N@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC[S@@](=O)C1 ZINC000562426488 651495162 /nfs/dbraw/zinc/49/51/62/651495162.db2.gz MBGDEVONFWNNDA-XELLLNAOSA-N 1 2 378.567 2.395 20 0 GEADLO C[C@@H]1C[N@@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC[S@@](=O)C1 ZINC000562426488 651495169 /nfs/dbraw/zinc/49/51/69/651495169.db2.gz MBGDEVONFWNNDA-XELLLNAOSA-N 1 2 378.567 2.395 20 0 GEADLO CN(C)C(=O)C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)c2ccc(Cl)cc21 ZINC000644044282 651518367 /nfs/dbraw/zinc/51/83/67/651518367.db2.gz SIMXGTZEANQESH-HWPZZCPQSA-N 1 2 378.885 2.405 20 0 GEADLO O=S(=O)(c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1)C(F)(F)F ZINC000728566058 651546065 /nfs/dbraw/zinc/54/60/65/651546065.db2.gz ARQHWFSFQXKGNJ-HUUCEWRRSA-N 1 2 378.416 2.016 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CCO1 ZINC000606360642 651552271 /nfs/dbraw/zinc/55/22/71/651552271.db2.gz HJSWRLVSNUUCMJ-LLVKDONJSA-N 1 2 394.269 2.153 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CCO1 ZINC000606360642 651552279 /nfs/dbraw/zinc/55/22/79/651552279.db2.gz HJSWRLVSNUUCMJ-LLVKDONJSA-N 1 2 394.269 2.153 20 0 GEADLO CS(=O)(=O)c1ccc(Br)c(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000728962232 651556003 /nfs/dbraw/zinc/55/60/03/651556003.db2.gz KDRQEMAARVRQNU-UHFFFAOYSA-N 1 2 398.282 2.090 20 0 GEADLO O=S(=O)(CCc1ccc(Cl)cc1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000644858625 651572958 /nfs/dbraw/zinc/57/29/58/651572958.db2.gz RFOAVDQVCMFAMK-ZWKOTPCHSA-N 1 2 386.945 2.445 20 0 GEADLO COc1cc(S(=O)(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)ccc1Cl ZINC000565234967 651589952 /nfs/dbraw/zinc/58/99/52/651589952.db2.gz HYJBKYUSSIABAS-ZDUSSCGKSA-N 1 2 388.917 2.222 20 0 GEADLO COc1cc(S(=O)(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)ccc1Cl ZINC000565234967 651589957 /nfs/dbraw/zinc/58/99/57/651589957.db2.gz HYJBKYUSSIABAS-ZDUSSCGKSA-N 1 2 388.917 2.222 20 0 GEADLO O=C(c1sc(N2CCCC2)nc1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000730085751 651590076 /nfs/dbraw/zinc/59/00/76/651590076.db2.gz GLDZGYBTYUOUDT-OLZOCXBDSA-N 1 2 384.933 2.068 20 0 GEADLO Cc1nsc(N2CCC[N@@H+](Cc3csc(-c4cnn(C)c4)n3)CC2)n1 ZINC000608506711 651599072 /nfs/dbraw/zinc/59/90/72/651599072.db2.gz ZDUXRWZKPLLJPQ-UHFFFAOYSA-N 1 2 375.527 2.416 20 0 GEADLO Cc1nsc(N2CCC[N@H+](Cc3csc(-c4cnn(C)c4)n3)CC2)n1 ZINC000608506711 651599075 /nfs/dbraw/zinc/59/90/75/651599075.db2.gz ZDUXRWZKPLLJPQ-UHFFFAOYSA-N 1 2 375.527 2.416 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1ccc(I)cc1)[NH+]1CCOCC1 ZINC000609191029 651612984 /nfs/dbraw/zinc/61/29/84/651612984.db2.gz UVZZTKQKCIXUNI-NWDGAFQWSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@H](NC(=O)c1ccc(I)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000609191030 651612996 /nfs/dbraw/zinc/61/29/96/651612996.db2.gz UVZZTKQKCIXUNI-RYUDHWBXSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccc(Br)cc2F)CCO1 ZINC000731117135 651618645 /nfs/dbraw/zinc/61/86/45/651618645.db2.gz UPZGQHUOLHWCII-GFCCVEGCSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccc(Br)cc2F)CCO1 ZINC000731117135 651618651 /nfs/dbraw/zinc/61/86/51/651618651.db2.gz UPZGQHUOLHWCII-GFCCVEGCSA-N 1 2 388.281 2.151 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCCc1ccc(Br)cc1F ZINC000731118357 651618746 /nfs/dbraw/zinc/61/87/46/651618746.db2.gz ADAXHHNMZULMPK-UHFFFAOYSA-N 1 2 388.281 2.104 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCCc2cccc(Br)c2)CCO1 ZINC000731282411 651623703 /nfs/dbraw/zinc/62/37/03/651623703.db2.gz PNYBCTICDRHFTO-CQSZACIVSA-N 1 2 384.318 2.402 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCCc2cccc(Br)c2)CCO1 ZINC000731282411 651623708 /nfs/dbraw/zinc/62/37/08/651623708.db2.gz PNYBCTICDRHFTO-CQSZACIVSA-N 1 2 384.318 2.402 20 0 GEADLO CCCCCC[C@H](C)NC(=O)C[NH+]1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000731355172 651624805 /nfs/dbraw/zinc/62/48/05/651624805.db2.gz SSEJJKFCSBHBOO-INIZCTEOSA-N 1 2 375.579 2.207 20 0 GEADLO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000567611326 651629777 /nfs/dbraw/zinc/62/97/77/651629777.db2.gz ZDHMVNVZXVVQND-KGLIPLIRSA-N 1 2 380.495 2.271 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cn2nc(C)c(Br)c2C)C1 ZINC000731659012 651630502 /nfs/dbraw/zinc/63/05/02/651630502.db2.gz LHEVBSQXFXKBGN-RISCZKNCSA-N 1 2 387.322 2.083 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cn2nc(C)c(Br)c2C)C1 ZINC000731659012 651630504 /nfs/dbraw/zinc/63/05/04/651630504.db2.gz LHEVBSQXFXKBGN-RISCZKNCSA-N 1 2 387.322 2.083 20 0 GEADLO CO[C@H](CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000645632875 651632220 /nfs/dbraw/zinc/63/22/20/651632220.db2.gz SLFGZWVXGJNDTO-GVDBMIGSSA-N 1 2 376.469 2.300 20 0 GEADLO CO[C@H](CS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000645632875 651632224 /nfs/dbraw/zinc/63/22/24/651632224.db2.gz SLFGZWVXGJNDTO-GVDBMIGSSA-N 1 2 376.469 2.300 20 0 GEADLO COC(=O)C[N@H+](CCc1ccc(Cl)cc1Cl)C[C@H](O)Cn1cccn1 ZINC000609895543 651635373 /nfs/dbraw/zinc/63/53/73/651635373.db2.gz XJUKOVRBMVGOOO-HNNXBMFYSA-N 1 2 386.279 2.269 20 0 GEADLO COC(=O)C[N@@H+](CCc1ccc(Cl)cc1Cl)C[C@H](O)Cn1cccn1 ZINC000609895543 651635376 /nfs/dbraw/zinc/63/53/76/651635376.db2.gz XJUKOVRBMVGOOO-HNNXBMFYSA-N 1 2 386.279 2.269 20 0 GEADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000567975787 651643040 /nfs/dbraw/zinc/64/30/40/651643040.db2.gz CKSVASJNIWEAIY-GFCCVEGCSA-N 1 2 378.274 2.268 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(Br)cc1 ZINC000568189254 651655629 /nfs/dbraw/zinc/65/56/29/651655629.db2.gz BPHXIVUWLVLYGR-HZMBPMFUSA-N 1 2 380.242 2.381 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC000568189254 651655632 /nfs/dbraw/zinc/65/56/32/651655632.db2.gz BPHXIVUWLVLYGR-HZMBPMFUSA-N 1 2 380.242 2.381 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000732464484 651658479 /nfs/dbraw/zinc/65/84/79/651658479.db2.gz CFIPKJCXJPEQKY-ABAIWWIYSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000732464484 651658483 /nfs/dbraw/zinc/65/84/83/651658483.db2.gz CFIPKJCXJPEQKY-ABAIWWIYSA-N 1 2 376.284 2.047 20 0 GEADLO Cc1c(Br)ccnc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000568372013 651664358 /nfs/dbraw/zinc/66/43/58/651664358.db2.gz XWDREONFYACTDM-ZDUSSCGKSA-N 1 2 383.290 2.481 20 0 GEADLO O=S(=O)(/C=C\c1ccccc1Br)NCC[NH+]1CCSCC1 ZINC000732815979 651676393 /nfs/dbraw/zinc/67/63/93/651676393.db2.gz YXXYODOKHNXJBN-XGICHPGQSA-N 1 2 391.356 2.388 20 0 GEADLO Cn1cc(Br)c(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)n1 ZINC000646058005 651677788 /nfs/dbraw/zinc/67/77/88/651677788.db2.gz VYMCXWSQLDPLHI-CQSZACIVSA-N 1 2 377.286 2.321 20 0 GEADLO Cn1cc(Br)c(C[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)n1 ZINC000646058005 651677792 /nfs/dbraw/zinc/67/77/92/651677792.db2.gz VYMCXWSQLDPLHI-CQSZACIVSA-N 1 2 377.286 2.321 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(I)cc2)C[C@@H]1C ZINC000611083917 651705842 /nfs/dbraw/zinc/70/58/42/651705842.db2.gz NZNTZDOHKSOJOW-NSHDSACASA-N 1 2 394.278 2.006 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(I)cc2)C[C@@H]1C ZINC000611083917 651705847 /nfs/dbraw/zinc/70/58/47/651705847.db2.gz NZNTZDOHKSOJOW-NSHDSACASA-N 1 2 394.278 2.006 20 0 GEADLO CC[C@H](C(=O)N[C@H](CO)c1ccc(Br)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000646610909 651706179 /nfs/dbraw/zinc/70/61/79/651706179.db2.gz XEPYXYOFBLEGJW-BRWVUGGUSA-N 1 2 399.329 2.488 20 0 GEADLO CC[C@H](C(=O)N[C@H](CO)c1ccc(Br)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000646610909 651706182 /nfs/dbraw/zinc/70/61/82/651706182.db2.gz XEPYXYOFBLEGJW-BRWVUGGUSA-N 1 2 399.329 2.488 20 0 GEADLO CCOc1ccc(Br)cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000612031512 651743023 /nfs/dbraw/zinc/74/30/23/651743023.db2.gz XIAMLQPTEYVKLF-UHFFFAOYSA-N 1 2 388.287 2.413 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000648013920 651769901 /nfs/dbraw/zinc/76/99/01/651769901.db2.gz WGEJCSFMRICFIY-NSHDSACASA-N 1 2 399.257 2.174 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000648013920 651769904 /nfs/dbraw/zinc/76/99/04/651769904.db2.gz WGEJCSFMRICFIY-NSHDSACASA-N 1 2 399.257 2.174 20 0 GEADLO CCOC(=O)c1sc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)nc1C ZINC000612794843 651770709 /nfs/dbraw/zinc/77/07/09/651770709.db2.gz ABLACOQXIWVRAJ-ZDUSSCGKSA-N 1 2 381.885 2.468 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)c1cnc(Cl)c(C)c1)[NH+]1CCOCC1 ZINC000735312121 651776447 /nfs/dbraw/zinc/77/64/47/651776447.db2.gz RKMCZKMJAZTLEL-MRXNPFEDSA-N 1 2 389.949 2.459 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)C[C@H]3CCC(=O)N3C)[nH+]c12 ZINC000613478147 651787815 /nfs/dbraw/zinc/78/78/15/651787815.db2.gz AWWFDXCJPKVVSO-CQSZACIVSA-N 1 2 393.285 2.075 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613675360 651791786 /nfs/dbraw/zinc/79/17/86/651791786.db2.gz IJEFKFOBCRTDDV-LZWOXQAQSA-N 1 2 391.269 2.249 20 0 GEADLO C[NH+](C)[C@H](C(=O)N1CCN(CC(F)(F)F)C(=O)C1)c1ccc(Cl)cc1 ZINC000570824060 651794281 /nfs/dbraw/zinc/79/42/81/651794281.db2.gz OACSVUVLOZVEMD-AWEZNQCLSA-N 1 2 377.794 2.176 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735760386 651795373 /nfs/dbraw/zinc/79/53/73/651795373.db2.gz WJANHAJEPMCBMK-ABAIWWIYSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000735760386 651795381 /nfs/dbraw/zinc/79/53/81/651795381.db2.gz WJANHAJEPMCBMK-ABAIWWIYSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H](CC(=O)NCCc1cn2c([nH+]1)CCCC2)n1cc(Br)cn1 ZINC000648728237 651797619 /nfs/dbraw/zinc/79/76/19/651797619.db2.gz WBCFXVGMXPZIMQ-GFCCVEGCSA-N 1 2 380.290 2.488 20 0 GEADLO Cn1c2cc(Br)ccc2nc1C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000570939897 651801704 /nfs/dbraw/zinc/80/17/04/651801704.db2.gz NZBUFMQJTSFXPZ-UHFFFAOYSA-N 1 2 391.273 2.470 20 0 GEADLO Cc1nc(N2CCN(C(=O)C[C@H](C)n3cc(Br)cn3)CC2)cc[nH+]1 ZINC000648860975 651806993 /nfs/dbraw/zinc/80/69/93/651806993.db2.gz CYFDRDMZBONOIG-LBPRGKRZSA-N 1 2 393.289 2.044 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000614364953 651824322 /nfs/dbraw/zinc/82/43/22/651824322.db2.gz JAQXVVYODFFYMY-IUODEOHRSA-N 1 2 392.253 2.239 20 0 GEADLO COC[C@@H](OC)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000614440003 651827854 /nfs/dbraw/zinc/82/78/54/651827854.db2.gz DWVFMQNOWMJZEM-MRXNPFEDSA-N 1 2 396.285 2.336 20 0 GEADLO CC(C)CS(=O)(=O)CCC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614674874 651832018 /nfs/dbraw/zinc/83/20/18/651832018.db2.gz XGWZRQGFTYQFTC-UHFFFAOYSA-N 1 2 387.571 2.068 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2nc3ccccc3s2)CC1 ZINC000571463350 651833854 /nfs/dbraw/zinc/83/38/54/651833854.db2.gz DEZOOAVRSVSJLU-ZDUSSCGKSA-N 1 2 381.523 2.170 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2nc3ccccc3s2)CC1 ZINC000571463350 651833861 /nfs/dbraw/zinc/83/38/61/651833861.db2.gz DEZOOAVRSVSJLU-ZDUSSCGKSA-N 1 2 381.523 2.170 20 0 GEADLO C[N@H+]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)CC1(C)C ZINC000571544440 651839114 /nfs/dbraw/zinc/83/91/14/651839114.db2.gz ZPLBMFNZTNCLRU-UHFFFAOYSA-N 1 2 398.248 2.334 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)CC1(C)C ZINC000571544440 651839110 /nfs/dbraw/zinc/83/91/10/651839110.db2.gz ZPLBMFNZTNCLRU-UHFFFAOYSA-N 1 2 398.248 2.334 20 0 GEADLO CC(C)(C)n1cc(Br)c(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000614961487 651846548 /nfs/dbraw/zinc/84/65/48/651846548.db2.gz WOCBHLVTHVNBAR-ZDUSSCGKSA-N 1 2 399.333 2.337 20 0 GEADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615127340 651850476 /nfs/dbraw/zinc/85/04/76/651850476.db2.gz QNUGOQVKYYZLSO-JSGCOSHPSA-N 1 2 391.269 2.283 20 0 GEADLO Cn1cc(C(=O)N(CCn2cc[nH+]c2)Cc2ccccc2Br)nn1 ZINC000571875999 651859416 /nfs/dbraw/zinc/85/94/16/651859416.db2.gz ZUMAGDQAISYDBD-UHFFFAOYSA-N 1 2 389.257 2.117 20 0 GEADLO O=C(N1CCC[C@H]([NH+]2CCOCC2)C1)C1(c2cncc(Br)c2)CC1 ZINC000615537668 651866360 /nfs/dbraw/zinc/86/63/60/651866360.db2.gz PLYFMALTWXZECA-INIZCTEOSA-N 1 2 394.313 2.199 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000651222842 651876331 /nfs/dbraw/zinc/87/63/31/651876331.db2.gz MEXBQSOLQCVIAV-GXTWGEPZSA-N 1 2 383.286 2.152 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCOc3ccc(Br)cc32)CCO1 ZINC000651222842 651876333 /nfs/dbraw/zinc/87/63/33/651876333.db2.gz MEXBQSOLQCVIAV-GXTWGEPZSA-N 1 2 383.286 2.152 20 0 GEADLO CC(C)[C@@]1(C)NC(=O)N(C[NH+]2CCC(n3cc(Br)cn3)CC2)C1=O ZINC000738045023 651877571 /nfs/dbraw/zinc/87/75/71/651877571.db2.gz NFKXWYXOZFHKSX-MRXNPFEDSA-N 1 2 398.305 2.207 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651279967 651878994 /nfs/dbraw/zinc/87/89/94/651878994.db2.gz YGBKONLTSLSWOL-DZGCQCFKSA-N 1 2 396.329 2.067 20 0 GEADLO Cc1cc(I)cnc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615932651 651885100 /nfs/dbraw/zinc/88/51/00/651885100.db2.gz QWLYIPGYJIAENM-JTQLQIEISA-N 1 2 382.205 2.392 20 0 GEADLO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000651634058 651891427 /nfs/dbraw/zinc/89/14/27/651891427.db2.gz MXMJDGLJMOYQSZ-NEPJUHHUSA-N 1 2 399.365 2.416 20 0 GEADLO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC000572476931 651894558 /nfs/dbraw/zinc/89/45/58/651894558.db2.gz SHGUYHHEHNABSZ-XJKSGUPXSA-N 1 2 384.929 2.445 20 0 GEADLO C[N@H+]1C[C@@H]2CCCN(C(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC000572476931 651894559 /nfs/dbraw/zinc/89/45/59/651894559.db2.gz SHGUYHHEHNABSZ-XJKSGUPXSA-N 1 2 384.929 2.445 20 0 GEADLO COCC[N@@H+]1CCN(C(=O)c2cc(Br)c(F)cc2O)C(C)(C)C1 ZINC000652926754 651925867 /nfs/dbraw/zinc/92/58/67/651925867.db2.gz LXCCEIIZFQGAMZ-UHFFFAOYSA-N 1 2 389.265 2.477 20 0 GEADLO COCC[N@H+]1CCN(C(=O)c2cc(Br)c(F)cc2O)C(C)(C)C1 ZINC000652926754 651925875 /nfs/dbraw/zinc/92/58/75/651925875.db2.gz LXCCEIIZFQGAMZ-UHFFFAOYSA-N 1 2 389.265 2.477 20 0 GEADLO C[C@H]1CSCCN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000572971948 651926021 /nfs/dbraw/zinc/92/60/21/651926021.db2.gz VAKLCRUTPMNMSR-CZUORRHYSA-N 1 2 383.945 2.270 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](Cc2ncccc2O)CC1 ZINC000573018177 651929221 /nfs/dbraw/zinc/92/92/21/651929221.db2.gz CGTLUVSHDFIEDC-UHFFFAOYSA-N 1 2 387.914 2.399 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](Cc2ncccc2O)CC1 ZINC000573018177 651929226 /nfs/dbraw/zinc/92/92/26/651929226.db2.gz CGTLUVSHDFIEDC-UHFFFAOYSA-N 1 2 387.914 2.399 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2c(C)ccc(Br)c2C)CC1 ZINC000652997632 651931107 /nfs/dbraw/zinc/93/11/07/651931107.db2.gz HDCYYBPANOTHOZ-UHFFFAOYSA-N 1 2 399.329 2.487 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000652999073 651931273 /nfs/dbraw/zinc/93/12/73/651931273.db2.gz KIPLUVYXCCPDDT-HNNXBMFYSA-N 1 2 399.329 2.360 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000573507384 651961299 /nfs/dbraw/zinc/96/12/99/651961299.db2.gz ZODCPJGNJGFKSG-SECBINFHSA-N 1 2 392.250 2.160 20 0 GEADLO CO[C@H](C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)c1ccccc1Br ZINC000617721331 651966241 /nfs/dbraw/zinc/96/62/41/651966241.db2.gz NXUSCMPSEZGYLP-WWGRRREGSA-N 1 2 385.302 2.362 20 0 GEADLO CO[C@H](C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)c1ccccc1Br ZINC000617721331 651966248 /nfs/dbraw/zinc/96/62/48/651966248.db2.gz NXUSCMPSEZGYLP-WWGRRREGSA-N 1 2 385.302 2.362 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617724842 651968022 /nfs/dbraw/zinc/96/80/22/651968022.db2.gz CNEOSXUJXVKQIF-MNOVXSKESA-N 1 2 386.290 2.000 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617724842 651968024 /nfs/dbraw/zinc/96/80/24/651968024.db2.gz CNEOSXUJXVKQIF-MNOVXSKESA-N 1 2 386.290 2.000 20 0 GEADLO COc1ccc(Br)c(CC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000617730499 651968367 /nfs/dbraw/zinc/96/83/67/651968367.db2.gz NKBALLVCQKPGKA-STQMWFEESA-N 1 2 385.302 2.226 20 0 GEADLO COc1ccc(Br)c(CC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000617730499 651968372 /nfs/dbraw/zinc/96/83/72/651968372.db2.gz NKBALLVCQKPGKA-STQMWFEESA-N 1 2 385.302 2.226 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)[C@@H](C)CO1 ZINC000617735689 651969126 /nfs/dbraw/zinc/96/91/26/651969126.db2.gz SQMVEEMOEFYERG-RYUDHWBXSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)[C@@H](C)CO1 ZINC000617735689 651969133 /nfs/dbraw/zinc/96/91/33/651969133.db2.gz SQMVEEMOEFYERG-RYUDHWBXSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@H](CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[NH+](C)C ZINC000617755342 651970982 /nfs/dbraw/zinc/97/09/82/651970982.db2.gz MKXCFJYIBRHSRE-GFCCVEGCSA-N 1 2 382.511 2.014 20 0 GEADLO CC1CC[NH+]([C@H](CNC(=O)C[C@H]2SC(=N)NC2=O)c2cccs2)CC1 ZINC000742482193 651990140 /nfs/dbraw/zinc/99/01/40/651990140.db2.gz CXJZQBWSKAZQGP-TZMCWYRMSA-N 1 2 380.539 2.194 20 0 GEADLO CN(C[C@@H]1COCCO1)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000618228252 651998810 /nfs/dbraw/zinc/99/88/10/651998810.db2.gz FSIGGEWSSATQBN-SJORKVTESA-N 1 2 397.313 2.460 20 0 GEADLO O=C(c1cn(Cc2ccc(Cl)cc2Cl)nn1)N1CCn2c[nH+]cc2C1 ZINC000574161738 652004962 /nfs/dbraw/zinc/00/49/62/652004962.db2.gz FCQXQZKIVMKPOW-UHFFFAOYSA-N 1 2 377.235 2.486 20 0 GEADLO Cc1c(Br)cccc1CS(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000655953202 652015129 /nfs/dbraw/zinc/01/51/29/652015129.db2.gz WXCYHOFCMHXPSZ-CQSZACIVSA-N 1 2 379.295 2.221 20 0 GEADLO COc1c(N)[nH+]cnc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000656108241 652022249 /nfs/dbraw/zinc/02/22/49/652022249.db2.gz WEQXIEKVTLBYHI-UHFFFAOYSA-N 1 2 382.251 2.337 20 0 GEADLO COc1c(N)nc[nH+]c1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000656108241 652022260 /nfs/dbraw/zinc/02/22/60/652022260.db2.gz WEQXIEKVTLBYHI-UHFFFAOYSA-N 1 2 382.251 2.337 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1nc(C(F)(F)F)co1 ZINC000656663562 652044830 /nfs/dbraw/zinc/04/48/30/652044830.db2.gz STKVHSUFSKBHKW-ZDUSSCGKSA-N 1 2 380.392 2.023 20 0 GEADLO CCCOc1ccc(Br)cc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000656865245 652061221 /nfs/dbraw/zinc/06/12/21/652061221.db2.gz VICZQVOUGJEEQK-UHFFFAOYSA-N 1 2 388.287 2.413 20 0 GEADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000575202335 652068463 /nfs/dbraw/zinc/06/84/63/652068463.db2.gz BDZQHOFXAFQYHH-AWEZNQCLSA-N 1 2 384.318 2.112 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)c1cc(F)c(F)cc1I ZINC000575793866 652077744 /nfs/dbraw/zinc/07/77/44/652077744.db2.gz MIENVHIDHREUSC-UHFFFAOYSA-N 1 2 377.132 2.233 20 0 GEADLO CCCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000576296490 652104332 /nfs/dbraw/zinc/10/43/32/652104332.db2.gz SVUBNNHZXZJAQR-UHFFFAOYSA-N 1 2 387.933 2.116 20 0 GEADLO Cc1sc2nc([C@H](C)N3CC[NH+](CC[S@](C)=O)CC3)[nH]c(=O)c2c1C ZINC000746467587 652108969 /nfs/dbraw/zinc/10/89/69/652108969.db2.gz LPJMPBYBIISXCN-VDBVYFBLSA-N 1 2 382.555 2.071 20 0 GEADLO Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[NH+](CC[S@@](C)=O)CC2)c(Cl)c1 ZINC000746469744 652109064 /nfs/dbraw/zinc/10/90/64/652109064.db2.gz SYEHPHNZUVMLMX-SGANQWHYSA-N 1 2 385.961 2.280 20 0 GEADLO NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000746685917 652123109 /nfs/dbraw/zinc/12/31/09/652123109.db2.gz LIRCSLMGOJXLIM-UHFFFAOYSA-N 1 2 376.825 2.425 20 0 GEADLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1CO ZINC000621361289 652152312 /nfs/dbraw/zinc/15/23/12/652152312.db2.gz WWYZUGBZODGACF-STQMWFEESA-N 1 2 376.316 2.173 20 0 GEADLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1CO ZINC000621361289 652152320 /nfs/dbraw/zinc/15/23/20/652152320.db2.gz WWYZUGBZODGACF-STQMWFEESA-N 1 2 376.316 2.173 20 0 GEADLO Cn1c[nH+]cc1COC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000747784976 652178589 /nfs/dbraw/zinc/17/85/89/652178589.db2.gz XFDJOVMLPJIFNX-LBPRGKRZSA-N 1 2 378.226 2.279 20 0 GEADLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC000657604042 652178994 /nfs/dbraw/zinc/17/89/94/652178994.db2.gz LHYSHLOAQDLURM-CHWSQXEVSA-N 1 2 382.707 2.313 20 0 GEADLO COc1cc(C[NH2+]Cc2nc(C(N)=O)cs2)ccc1OCC(F)(F)F ZINC000657687833 652191657 /nfs/dbraw/zinc/19/16/57/652191657.db2.gz WYMIKAJSESYAKA-UHFFFAOYSA-N 1 2 375.372 2.482 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCCc3cn(C)c[nH+]3)nc12 ZINC000577703985 652209064 /nfs/dbraw/zinc/20/90/64/652209064.db2.gz SFMJHTNHRLWYIS-UHFFFAOYSA-N 1 2 391.273 2.181 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000623272097 652230081 /nfs/dbraw/zinc/23/00/81/652230081.db2.gz OXRQQZCJTLJUMY-YPMHNXCESA-N 1 2 379.247 2.284 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000623296789 652233078 /nfs/dbraw/zinc/23/30/78/652233078.db2.gz QFDNJUZLCOQIRW-IMJJTQAJSA-N 1 2 391.269 2.249 20 0 GEADLO O=C(Cc1noc2ccc(Br)cc12)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623299262 652233704 /nfs/dbraw/zinc/23/37/04/652233704.db2.gz UXAAETBHCVFYJE-NSHDSACASA-N 1 2 375.226 2.461 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000623645105 652251072 /nfs/dbraw/zinc/25/10/72/652251072.db2.gz OIPAHXWXOKIVNZ-KRWDZBQOSA-N 1 2 394.317 2.200 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000749535634 652257090 /nfs/dbraw/zinc/25/70/90/652257090.db2.gz XBIHHGCWPMWQKK-RUZDIDTESA-N 1 2 379.404 2.110 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1cc(F)c(Br)cc1F ZINC000623726288 652257167 /nfs/dbraw/zinc/25/71/67/652257167.db2.gz IYAQTWHNHQZKGP-SNVBAGLBSA-N 1 2 392.244 2.247 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1cc(F)c(Br)cc1F ZINC000623726288 652257173 /nfs/dbraw/zinc/25/71/73/652257173.db2.gz IYAQTWHNHQZKGP-SNVBAGLBSA-N 1 2 392.244 2.247 20 0 GEADLO O=C1[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)CCN1C1CCC1 ZINC000623842295 652264131 /nfs/dbraw/zinc/26/41/31/652264131.db2.gz KGMZDQQQELTCHT-HNNXBMFYSA-N 1 2 390.285 2.273 20 0 GEADLO O=S(=O)(c1ccc(C[NH2+][C@H]2CCCc3scnc32)s1)N1CCOCC1 ZINC000623861443 652264805 /nfs/dbraw/zinc/26/48/05/652264805.db2.gz XWUFXXDYQNEHSV-ZDUSSCGKSA-N 1 2 399.563 2.393 20 0 GEADLO Cc1csc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 ZINC000623860855 652264879 /nfs/dbraw/zinc/26/48/79/652264879.db2.gz HCMIUDJQWQYKSM-LBPRGKRZSA-N 1 2 387.552 2.385 20 0 GEADLO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCCc3scnc32)s1)N1CCOCC1 ZINC000623861442 652264911 /nfs/dbraw/zinc/26/49/11/652264911.db2.gz XWUFXXDYQNEHSV-CYBMUJFWSA-N 1 2 399.563 2.393 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2)c(N(C)C)[nH+]1 ZINC000750230730 652287917 /nfs/dbraw/zinc/28/79/17/652287917.db2.gz ZZVSSUJMNSWWBD-UHFFFAOYSA-N 1 2 391.269 2.473 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000750621438 652301835 /nfs/dbraw/zinc/30/18/35/652301835.db2.gz GHJAMFWXRBSMNN-NDHGSNPTSA-N 1 2 379.404 2.156 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000750626336 652302675 /nfs/dbraw/zinc/30/26/75/652302675.db2.gz UHZQACAHSVUJIO-SSINHNECSA-N 1 2 379.404 2.156 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000750626336 652302681 /nfs/dbraw/zinc/30/26/81/652302681.db2.gz UHZQACAHSVUJIO-SSINHNECSA-N 1 2 379.404 2.156 20 0 GEADLO Cc1ncc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)n1C ZINC000624795952 652303822 /nfs/dbraw/zinc/30/38/22/652303822.db2.gz BXSRFBKMLZYSMP-MRXNPFEDSA-N 1 2 382.917 2.497 20 0 GEADLO CC[C@@H](NC(=O)C(=O)NCCn1cc[nH+]c1)c1cc(F)cc(Br)c1 ZINC000579028880 652312799 /nfs/dbraw/zinc/31/27/99/652312799.db2.gz RTNMPRJCQHDSAG-CQSZACIVSA-N 1 2 397.248 2.168 20 0 GEADLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)CC1 ZINC000751287724 652338715 /nfs/dbraw/zinc/33/87/15/652338715.db2.gz DKGMCVNZFMOQKY-UHFFFAOYSA-N 1 2 389.930 2.027 20 0 GEADLO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000625310120 652342229 /nfs/dbraw/zinc/34/22/29/652342229.db2.gz PEUZPQKPMRQWDO-CQSZACIVSA-N 1 2 380.432 2.163 20 0 GEADLO Brc1ccc2nc(CN3CC[NH+](Cc4cn[nH]c4)CC3)cn2c1 ZINC000625478024 652348641 /nfs/dbraw/zinc/34/86/41/652348641.db2.gz DEGOWTPCQDKWRL-UHFFFAOYSA-N 1 2 375.274 2.138 20 0 GEADLO Cc1cc(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)c(Cl)cc1F ZINC000625606216 652361061 /nfs/dbraw/zinc/36/10/61/652361061.db2.gz PQMQPXORLIGPLE-UHFFFAOYSA-N 1 2 376.881 2.273 20 0 GEADLO O=S(=O)(c1c(F)cccc1OC(F)(F)F)N1CC[NH+](CC2CC2)CC1 ZINC000580058067 652365347 /nfs/dbraw/zinc/36/53/47/652365347.db2.gz UGMAAHKMHJNHOS-UHFFFAOYSA-N 1 2 382.379 2.441 20 0 GEADLO C[N@H+](CCc1nnn(C(C)(C)C)n1)CC(=O)Nc1ccccc1Br ZINC000659832504 652367579 /nfs/dbraw/zinc/36/75/79/652367579.db2.gz UAJFQAIOSVREKE-UHFFFAOYSA-N 1 2 395.305 2.304 20 0 GEADLO C[N@@H+](CCc1nnn(C(C)(C)C)n1)CC(=O)Nc1ccccc1Br ZINC000659832504 652367585 /nfs/dbraw/zinc/36/75/85/652367585.db2.gz UAJFQAIOSVREKE-UHFFFAOYSA-N 1 2 395.305 2.304 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccccc1Br ZINC000580177765 652368979 /nfs/dbraw/zinc/36/89/79/652368979.db2.gz MYPFSAHERXATSO-GOEBONIOSA-N 1 2 396.329 2.496 20 0 GEADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCCC(F)(F)CC2)c1C ZINC000625766689 652369823 /nfs/dbraw/zinc/36/98/23/652369823.db2.gz AIRHBGUWEBFIMT-UHFFFAOYSA-N 1 2 375.441 2.011 20 0 GEADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCCC(F)(F)CC2)c1C ZINC000625766689 652369825 /nfs/dbraw/zinc/36/98/25/652369825.db2.gz AIRHBGUWEBFIMT-UHFFFAOYSA-N 1 2 375.441 2.011 20 0 GEADLO COc1cc(F)ccc1S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000659895744 652370087 /nfs/dbraw/zinc/37/00/87/652370087.db2.gz HFHJWWAPQIFSHC-UHFFFAOYSA-N 1 2 384.498 2.445 20 0 GEADLO C[N@H+](CCN1CCCS1(=O)=O)Cn1c2ccccc2nc1SC(F)F ZINC000751935188 652372280 /nfs/dbraw/zinc/37/22/80/652372280.db2.gz ZMFLWHKXQYBYBG-UHFFFAOYSA-N 1 2 390.481 2.276 20 0 GEADLO C[N@@H+](CCN1CCCS1(=O)=O)Cn1c2ccccc2nc1SC(F)F ZINC000751935188 652372284 /nfs/dbraw/zinc/37/22/84/652372284.db2.gz ZMFLWHKXQYBYBG-UHFFFAOYSA-N 1 2 390.481 2.276 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@H+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000580290923 652374525 /nfs/dbraw/zinc/37/45/25/652374525.db2.gz QXMKUACHLYZWBO-UHFFFAOYSA-N 1 2 378.523 2.205 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000580290923 652374530 /nfs/dbraw/zinc/37/45/30/652374530.db2.gz QXMKUACHLYZWBO-UHFFFAOYSA-N 1 2 378.523 2.205 20 0 GEADLO CCN1OC[C@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1=O ZINC000660049785 652378717 /nfs/dbraw/zinc/37/87/17/652378717.db2.gz YKHMYOLYMXMLCC-HNNXBMFYSA-N 1 2 396.285 2.262 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000580576363 652384393 /nfs/dbraw/zinc/38/43/93/652384393.db2.gz QAMVAMOKMUIKIN-TXEJJXNPSA-N 1 2 391.331 2.479 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000580576363 652384396 /nfs/dbraw/zinc/38/43/96/652384396.db2.gz QAMVAMOKMUIKIN-TXEJJXNPSA-N 1 2 391.331 2.479 20 0 GEADLO C[C@@H]1C[NH+](CCN(C)[C@H](C(N)=O)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000660169491 652392303 /nfs/dbraw/zinc/39/23/03/652392303.db2.gz JKQXHONCTUKPCV-IOASZLSFSA-N 1 2 384.318 2.017 20 0 GEADLO C[C@@H]1C[NH+](CCN(C)[C@@H](C(N)=O)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000660169492 652392340 /nfs/dbraw/zinc/39/23/40/652392340.db2.gz JKQXHONCTUKPCV-XJKCOSOUSA-N 1 2 384.318 2.017 20 0 GEADLO COCC[N@H+](CC(=O)c1c[nH]c2ncc(Br)cc12)[C@H]1CCOC1 ZINC000660432685 652401942 /nfs/dbraw/zinc/40/19/42/652401942.db2.gz PQPGJLJXGHWZBT-LBPRGKRZSA-N 1 2 382.258 2.245 20 0 GEADLO COCC[N@@H+](CC(=O)c1c[nH]c2ncc(Br)cc12)[C@H]1CCOC1 ZINC000660432685 652401959 /nfs/dbraw/zinc/40/19/59/652401959.db2.gz PQPGJLJXGHWZBT-LBPRGKRZSA-N 1 2 382.258 2.245 20 0 GEADLO CS(=O)(=O)CC[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000753243071 652402115 /nfs/dbraw/zinc/40/21/15/652402115.db2.gz XPQQSOVYMVGHKY-GFCCVEGCSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)CC[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000753243071 652402120 /nfs/dbraw/zinc/40/21/20/652402120.db2.gz XPQQSOVYMVGHKY-GFCCVEGCSA-N 1 2 382.309 2.242 20 0 GEADLO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660474878 652403616 /nfs/dbraw/zinc/40/36/16/652403616.db2.gz OEXOXCYYHZZVNN-RHSMWYFYSA-N 1 2 396.329 2.496 20 0 GEADLO CCN1OC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)C1=O ZINC000660597057 652407726 /nfs/dbraw/zinc/40/77/26/652407726.db2.gz QIWUKRPARWLFMF-BXUZGUMPSA-N 1 2 387.274 2.023 20 0 GEADLO C[C@H](NC(=O)N[C@@H](CO)c1cccc(Cl)c1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000660707097 652411023 /nfs/dbraw/zinc/41/10/23/652411023.db2.gz LXCOOUYKERTIHQ-HUBLWGQQSA-N 1 2 390.311 2.435 20 0 GEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1I ZINC000753895374 652420287 /nfs/dbraw/zinc/42/02/87/652420287.db2.gz MNZBSUTVRHDZNS-TXEJJXNPSA-N 1 2 387.217 2.311 20 0 GEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1I ZINC000753895374 652420290 /nfs/dbraw/zinc/42/02/90/652420290.db2.gz MNZBSUTVRHDZNS-TXEJJXNPSA-N 1 2 387.217 2.311 20 0 GEADLO C[C@@H]1COCC[N@H+](CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753985545 652422415 /nfs/dbraw/zinc/42/24/15/652422415.db2.gz IQEZOUNOWMSYRA-UGSOOPFHSA-N 1 2 395.297 2.392 20 0 GEADLO C[C@@H]1COCC[N@@H+](CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753985545 652422418 /nfs/dbraw/zinc/42/24/18/652422418.db2.gz IQEZOUNOWMSYRA-UGSOOPFHSA-N 1 2 395.297 2.392 20 0 GEADLO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C3CCC3)CC2)c1 ZINC000661373803 652429510 /nfs/dbraw/zinc/42/95/10/652429510.db2.gz HUYQMAPXMYUDDV-UHFFFAOYSA-N 1 2 385.917 2.438 20 0 GEADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661577013 652433346 /nfs/dbraw/zinc/43/33/46/652433346.db2.gz UDIGGHXHMMYRRH-CQSZACIVSA-N 1 2 384.318 2.112 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1nc(-c2cccs2)cs1 ZINC000661596227 652434093 /nfs/dbraw/zinc/43/40/93/652434093.db2.gz BAZVDUBQIUFGFN-NWDGAFQWSA-N 1 2 376.507 2.411 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1nc(-c2cccs2)cs1 ZINC000661596227 652434096 /nfs/dbraw/zinc/43/40/96/652434096.db2.gz BAZVDUBQIUFGFN-NWDGAFQWSA-N 1 2 376.507 2.411 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1nc(-c2cccs2)cs1 ZINC000661596226 652434205 /nfs/dbraw/zinc/43/42/05/652434205.db2.gz BAZVDUBQIUFGFN-NEPJUHHUSA-N 1 2 376.507 2.411 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1nc(-c2cccs2)cs1 ZINC000661596226 652434207 /nfs/dbraw/zinc/43/42/07/652434207.db2.gz BAZVDUBQIUFGFN-NEPJUHHUSA-N 1 2 376.507 2.411 20 0 GEADLO Cn1c[nH+]cc1COC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000754683578 652442688 /nfs/dbraw/zinc/44/26/88/652442688.db2.gz ILWOGFAUVIBBHT-NSHDSACASA-N 1 2 378.226 2.279 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662012243 652444982 /nfs/dbraw/zinc/44/49/82/652444982.db2.gz DVAPMYJXZCOLCO-SWLSCSKDSA-N 1 2 397.317 2.464 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662012243 652444985 /nfs/dbraw/zinc/44/49/85/652444985.db2.gz DVAPMYJXZCOLCO-SWLSCSKDSA-N 1 2 397.317 2.464 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000662015235 652445022 /nfs/dbraw/zinc/44/50/22/652445022.db2.gz VJTKTFWZVPANOI-CQSZACIVSA-N 1 2 380.290 2.285 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000662015235 652445023 /nfs/dbraw/zinc/44/50/23/652445023.db2.gz VJTKTFWZVPANOI-CQSZACIVSA-N 1 2 380.290 2.285 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc(Br)c2F)C1 ZINC000628496004 652459453 /nfs/dbraw/zinc/45/94/53/652459453.db2.gz GJCKSVBUIOUQEO-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2F)C1 ZINC000628496004 652459458 /nfs/dbraw/zinc/45/94/58/652459458.db2.gz GJCKSVBUIOUQEO-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1c(Cl)cccc1Cl ZINC000628578417 652463629 /nfs/dbraw/zinc/46/36/29/652463629.db2.gz JCZNNGOPOZUAIT-GOSISDBHSA-N 1 2 387.307 2.268 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1c(Cl)cccc1Cl ZINC000628578417 652463632 /nfs/dbraw/zinc/46/36/32/652463632.db2.gz JCZNNGOPOZUAIT-GOSISDBHSA-N 1 2 387.307 2.268 20 0 GEADLO O=C(CCn1cc[nH+]c1)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628680538 652467905 /nfs/dbraw/zinc/46/79/05/652467905.db2.gz FMDSMMPNCARFKU-KRWDZBQOSA-N 1 2 378.270 2.072 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000582980385 652469453 /nfs/dbraw/zinc/46/94/53/652469453.db2.gz CPJLRFQUIXXLFK-AWEZNQCLSA-N 1 2 388.917 2.357 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000582980385 652469457 /nfs/dbraw/zinc/46/94/57/652469457.db2.gz CPJLRFQUIXXLFK-AWEZNQCLSA-N 1 2 388.917 2.357 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000582975117 652469475 /nfs/dbraw/zinc/46/94/75/652469475.db2.gz MBSKYMOGBSBEPJ-HNNXBMFYSA-N 1 2 388.917 2.224 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968564 652476300 /nfs/dbraw/zinc/47/63/00/652476300.db2.gz HTRPMPKFDKVKCY-IINYFYTJSA-N 1 2 381.325 2.393 20 0 GEADLO COc1cccc(-c2nc(CN3CC[NH+](CC[S@](C)=O)CC3)cs2)c1 ZINC000755951010 652481960 /nfs/dbraw/zinc/48/19/60/652481960.db2.gz ZBEPTFDBKWUVAX-VWLOTQADSA-N 1 2 379.551 2.315 20 0 GEADLO Brc1cnnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000663366462 652495453 /nfs/dbraw/zinc/49/54/53/652495453.db2.gz GSMXVORZPIRUIL-UHFFFAOYSA-N 1 2 391.269 2.333 20 0 GEADLO O=c1c(Br)c(N[C@H]2CC[N@@H+](C3CC3)C2)cnn1-c1ccccn1 ZINC000663425482 652498601 /nfs/dbraw/zinc/49/86/01/652498601.db2.gz QTLSNTCZOSHHML-NSHDSACASA-N 1 2 376.258 2.039 20 0 GEADLO O=c1c(Br)c(N[C@H]2CC[N@H+](C3CC3)C2)cnn1-c1ccccn1 ZINC000663425482 652498604 /nfs/dbraw/zinc/49/86/04/652498604.db2.gz QTLSNTCZOSHHML-NSHDSACASA-N 1 2 376.258 2.039 20 0 GEADLO C[N@H+](CC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)C1CCC1 ZINC000629955410 652500162 /nfs/dbraw/zinc/50/01/62/652500162.db2.gz AAVMHCVLNRWOAG-UHFFFAOYSA-N 1 2 378.274 2.335 20 0 GEADLO C[N@@H+](CC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)C1CCC1 ZINC000629955410 652500165 /nfs/dbraw/zinc/50/01/65/652500165.db2.gz AAVMHCVLNRWOAG-UHFFFAOYSA-N 1 2 378.274 2.335 20 0 GEADLO C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CS1(=O)=O ZINC000663450682 652501093 /nfs/dbraw/zinc/50/10/93/652501093.db2.gz LICYBQIMRBCMBT-KFWWJZLASA-N 1 2 385.555 2.150 20 0 GEADLO O[C@@H](C[NH+]1CCN(c2c(Cl)cccc2Cl)CC1)CC1(O)CCOCC1 ZINC000630041649 652501448 /nfs/dbraw/zinc/50/14/48/652501448.db2.gz FGEITBXDTVBKTN-CQSZACIVSA-N 1 2 389.323 2.408 20 0 GEADLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000756779748 652505955 /nfs/dbraw/zinc/50/59/55/652505955.db2.gz QISWIQNYFOFZBB-UHFFFAOYSA-N 1 2 376.469 2.476 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCCc2ccccc2Br)[C@@H](C)CO1 ZINC000663870764 652514456 /nfs/dbraw/zinc/51/44/56/652514456.db2.gz IZMHWUIACHYTMS-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCc2ccccc2Br)[C@@H](C)CO1 ZINC000663870764 652514458 /nfs/dbraw/zinc/51/44/58/652514458.db2.gz IZMHWUIACHYTMS-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO Brc1cc(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)cc2c1OCO2 ZINC000631053491 652519640 /nfs/dbraw/zinc/51/96/40/652519640.db2.gz XBQOKIRKUAYAFO-NSHDSACASA-N 1 2 395.257 2.096 20 0 GEADLO C[C@@H]1CC[C@H](NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CS1(=O)=O ZINC000664292968 652526043 /nfs/dbraw/zinc/52/60/43/652526043.db2.gz RUDJAXBSFDOWJV-UHOFOFEASA-N 1 2 387.933 2.208 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3[nH+]ccc4cc(Br)ccc43)C[C@H]21 ZINC000664492465 652529073 /nfs/dbraw/zinc/52/90/73/652529073.db2.gz OBJKEHRDMSKOHF-ZNMIVQPWSA-N 1 2 397.294 2.246 20 0 GEADLO COC(=O)c1ccc(CNc2ccc(N(C)CCO)c[nH+]2)c(Br)c1 ZINC000585731332 652535450 /nfs/dbraw/zinc/53/54/50/652535450.db2.gz NFSZHQTVPLWGFH-UHFFFAOYSA-N 1 2 394.269 2.671 20 0 GEADLO O=C(CCc1cn[nH]n1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000631821361 652536745 /nfs/dbraw/zinc/53/67/45/652536745.db2.gz VZYCZJFNTSHZIS-UHFFFAOYSA-N 1 2 392.301 2.281 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2ccsc2Br)[C@@H](C)CO1 ZINC000664837422 652540409 /nfs/dbraw/zinc/54/04/09/652540409.db2.gz HHQDKPUIYXWCFU-QWRGUYRKSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2ccsc2Br)[C@@H](C)CO1 ZINC000664837422 652540418 /nfs/dbraw/zinc/54/04/18/652540418.db2.gz HHQDKPUIYXWCFU-QWRGUYRKSA-N 1 2 376.320 2.419 20 0 GEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(I)ccc1F ZINC000587050856 652544213 /nfs/dbraw/zinc/54/42/13/652544213.db2.gz DZTAUYJZLNEUOB-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cccc(F)c1I ZINC000587066683 652544220 /nfs/dbraw/zinc/54/42/20/652544220.db2.gz YAUQZGJWYXENRJ-VIFPVBQESA-N 1 2 385.180 2.372 20 0 GEADLO Cn1c(SCC(=O)NCCCCn2cc[nH+]c2)nnc1-c1cccs1 ZINC000588705797 652555537 /nfs/dbraw/zinc/55/55/37/652555537.db2.gz QEAMPFINSPEXKU-UHFFFAOYSA-N 1 2 376.511 2.429 20 0 GEADLO O=S(=O)(C[C@H]1CCCC1(F)F)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680497 652574783 /nfs/dbraw/zinc/57/47/83/652574783.db2.gz NVXGIOQHCXIGJC-CQSZACIVSA-N 1 2 391.509 2.490 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000666430082 652576944 /nfs/dbraw/zinc/57/69/44/652576944.db2.gz SVZXSDKHTZVJST-AWEZNQCLSA-N 1 2 396.329 2.500 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCc1c(Cl)cccc1OC(F)F ZINC000632767258 652578985 /nfs/dbraw/zinc/57/89/85/652578985.db2.gz DRCWDEKKEHDXIX-UHFFFAOYSA-N 1 2 398.859 2.083 20 0 GEADLO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[NH+]2CCC(C)(O)CC2)C1=O ZINC000759745757 652584883 /nfs/dbraw/zinc/58/48/83/652584883.db2.gz IBSCDONMNYZYLQ-QGZVFWFLSA-N 1 2 396.285 2.020 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Nc2cnc3c(Br)cccn23)[C@@H](C)CO1 ZINC000667097902 652591459 /nfs/dbraw/zinc/59/14/59/652591459.db2.gz GDAJEACNWUHIAE-RYUDHWBXSA-N 1 2 396.289 2.328 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cnc3c(Br)cccn23)[C@@H](C)CO1 ZINC000667097902 652591464 /nfs/dbraw/zinc/59/14/64/652591464.db2.gz GDAJEACNWUHIAE-RYUDHWBXSA-N 1 2 396.289 2.328 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C[C@H]1C ZINC000592441606 652595077 /nfs/dbraw/zinc/59/50/77/652595077.db2.gz KCGCOZWVDJLWES-GIPNMCIBSA-N 1 2 385.247 2.366 20 0 GEADLO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C[C@H]1C ZINC000592441606 652595084 /nfs/dbraw/zinc/59/50/84/652595084.db2.gz KCGCOZWVDJLWES-GIPNMCIBSA-N 1 2 385.247 2.366 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc2cncc(Br)c2n1 ZINC000633428315 652596818 /nfs/dbraw/zinc/59/68/18/652596818.db2.gz ZOBKVVIRKWQGFL-UHFFFAOYSA-N 1 2 393.285 2.233 20 0 GEADLO O=C(CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)c(F)c1 ZINC000633708799 652607847 /nfs/dbraw/zinc/60/78/47/652607847.db2.gz BEAUDWUJKWMFJA-LLVKDONJSA-N 1 2 380.217 2.346 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)nc1Cl ZINC000760431646 652609374 /nfs/dbraw/zinc/60/93/74/652609374.db2.gz WWBRJCJAONBMBM-OCCSQVGLSA-N 1 2 389.308 2.451 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)nc1Cl ZINC000760431646 652609376 /nfs/dbraw/zinc/60/93/76/652609376.db2.gz WWBRJCJAONBMBM-OCCSQVGLSA-N 1 2 389.308 2.451 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)CCCS(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000633766838 652612211 /nfs/dbraw/zinc/61/22/11/652612211.db2.gz REIKSBOTWBBSST-CQSZACIVSA-N 1 2 380.432 2.249 20 0 GEADLO CCN(C1CC[NH+](Cc2cncc(Br)c2C)CC1)S(C)(=O)=O ZINC000667618254 652615529 /nfs/dbraw/zinc/61/55/29/652615529.db2.gz QYRQSAWSXHOBRI-UHFFFAOYSA-N 1 2 390.347 2.398 20 0 GEADLO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593293464 652615882 /nfs/dbraw/zinc/61/58/82/652615882.db2.gz AORBAAHZXFTLPZ-CHQLPRHDSA-N 1 2 381.929 2.392 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@@H+]2CCO[C@H](C)C2)c(Br)c1 ZINC000667816514 652620511 /nfs/dbraw/zinc/62/05/11/652620511.db2.gz VIRDVJFDMQDNGF-CYBMUJFWSA-N 1 2 385.302 2.227 20 0 GEADLO COc1ccc(CCC(=O)NCC[N@H+]2CCO[C@H](C)C2)c(Br)c1 ZINC000667816514 652620515 /nfs/dbraw/zinc/62/05/15/652620515.db2.gz VIRDVJFDMQDNGF-CYBMUJFWSA-N 1 2 385.302 2.227 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC1 ZINC000668360100 652640079 /nfs/dbraw/zinc/64/00/79/652640079.db2.gz QIZRTBGGLDCEFV-GFCCVEGCSA-N 1 2 394.269 2.243 20 0 GEADLO Cc1c(Br)cncc1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000668564162 652648488 /nfs/dbraw/zinc/64/84/88/652648488.db2.gz FZWROCZFQQHBGQ-AWEZNQCLSA-N 1 2 382.302 2.479 20 0 GEADLO CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000634661482 652652337 /nfs/dbraw/zinc/65/23/37/652652337.db2.gz UFFBTBKYPRYIBL-NSHDSACASA-N 1 2 399.314 2.005 20 0 GEADLO NS(=O)(=O)c1cc2c(s1)CCN(Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000668760504 652665799 /nfs/dbraw/zinc/66/57/99/652665799.db2.gz HDGDBZIJTJKVKE-UHFFFAOYSA-N 1 2 380.520 2.201 20 0 GEADLO CS(=O)(=O)Nc1ccccc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635198225 652699464 /nfs/dbraw/zinc/69/94/64/652699464.db2.gz GVZIOLITXLCODB-GFCCVEGCSA-N 1 2 376.360 2.387 20 0 GEADLO CCCCN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000635405813 652725057 /nfs/dbraw/zinc/72/50/57/652725057.db2.gz HNHDMTKMHLXQLC-OLZOCXBDSA-N 1 2 381.420 2.192 20 0 GEADLO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[C@@H]1CCCS1(=O)=O ZINC000635454309 652730284 /nfs/dbraw/zinc/73/02/84/652730284.db2.gz YNTUFGMASHYIMK-INIZCTEOSA-N 1 2 382.551 2.450 20 0 GEADLO CCCCNC(=O)[C@H]1CSCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459367 652730628 /nfs/dbraw/zinc/73/06/28/652730628.db2.gz AXTQBXGXRVFAOP-VXGBXAGGSA-N 1 2 378.420 2.194 20 0 GEADLO CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459163 652730636 /nfs/dbraw/zinc/73/06/36/652730636.db2.gz LUBPIRMMXCMRDR-NWDGAFQWSA-N 1 2 378.420 2.145 20 0 GEADLO CCCCNC(=O)[C@@H]1CSCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459365 652730695 /nfs/dbraw/zinc/73/06/95/652730695.db2.gz AXTQBXGXRVFAOP-NWDGAFQWSA-N 1 2 378.420 2.194 20 0 GEADLO CCN(CC)C(=O)[C@@H]1CSCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459664 652730725 /nfs/dbraw/zinc/73/07/25/652730725.db2.gz PLYHHFJQMOJLJB-RYUDHWBXSA-N 1 2 378.420 2.147 20 0 GEADLO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl)C(=O)OC ZINC000595831237 652737296 /nfs/dbraw/zinc/73/72/96/652737296.db2.gz ZIXSLUJAMHIDCE-NKFCBESUSA-N 1 2 391.295 2.320 20 0 GEADLO O=C(CCCOc1ccccc1Br)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670447401 652749441 /nfs/dbraw/zinc/74/94/41/652749441.db2.gz VIIGPNIVGZWFFY-OAHLLOKOSA-N 1 2 396.329 2.114 20 0 GEADLO O=C(CCCOc1ccccc1Br)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670447401 652749444 /nfs/dbraw/zinc/74/94/44/652749444.db2.gz VIIGPNIVGZWFFY-OAHLLOKOSA-N 1 2 396.329 2.114 20 0 GEADLO O=C(NCc1cc(Br)cs1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671158778 652782258 /nfs/dbraw/zinc/78/22/58/652782258.db2.gz ZFVHNNLLIKIDAK-LBPRGKRZSA-N 1 2 397.298 2.187 20 0 GEADLO O=C(c1c(F)cncc1Br)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636291279 652794840 /nfs/dbraw/zinc/79/48/40/652794840.db2.gz IJRTWJWSINWLIA-UHFFFAOYSA-N 1 2 393.260 2.379 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(I)cc2)[C@@H](C)CO1 ZINC000597994638 652795634 /nfs/dbraw/zinc/79/56/34/652795634.db2.gz CMHVMLMDHNDZCN-NWDGAFQWSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(I)cc2)[C@@H](C)CO1 ZINC000597994638 652795641 /nfs/dbraw/zinc/79/56/41/652795641.db2.gz CMHVMLMDHNDZCN-NWDGAFQWSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(I)cc2)[C@@H](C)CO1 ZINC000597994639 652795835 /nfs/dbraw/zinc/79/58/35/652795835.db2.gz CMHVMLMDHNDZCN-RYUDHWBXSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(I)cc2)[C@@H](C)CO1 ZINC000597994639 652795842 /nfs/dbraw/zinc/79/58/42/652795842.db2.gz CMHVMLMDHNDZCN-RYUDHWBXSA-N 1 2 388.249 2.130 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1Br ZINC000598184742 652802957 /nfs/dbraw/zinc/80/29/57/652802957.db2.gz NSWHFGHXJAGIKW-NHYWBVRUSA-N 1 2 392.253 2.239 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1Br ZINC000598185442 652803005 /nfs/dbraw/zinc/80/30/05/652803005.db2.gz PDCNHBAXQOZNBC-ABAIWWIYSA-N 1 2 392.253 2.239 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1Br ZINC000598187259 652803479 /nfs/dbraw/zinc/80/34/79/652803479.db2.gz VTECKDFEDBPPCA-ABAIWWIYSA-N 1 2 392.253 2.239 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1Br ZINC000598187261 652803879 /nfs/dbraw/zinc/80/38/79/652803879.db2.gz VTECKDFEDBPPCA-NHYWBVRUSA-N 1 2 392.253 2.239 20 0 GEADLO COC(=O)CC[N@@H+](Cc1cc(OC)ncc1Br)C[C@@H]1CCCO1 ZINC000598593301 652823749 /nfs/dbraw/zinc/82/37/49/652823749.db2.gz SGRWSEFZBQBDKD-ZDUSSCGKSA-N 1 2 387.274 2.397 20 0 GEADLO COC(=O)CC[N@H+](Cc1cc(OC)ncc1Br)C[C@@H]1CCCO1 ZINC000598593301 652823752 /nfs/dbraw/zinc/82/37/52/652823752.db2.gz SGRWSEFZBQBDKD-ZDUSSCGKSA-N 1 2 387.274 2.397 20 0 GEADLO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672146783 652827772 /nfs/dbraw/zinc/82/77/72/652827772.db2.gz UANMAXIGFDEETH-ZDUSSCGKSA-N 1 2 392.253 2.358 20 0 GEADLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672150786 652828228 /nfs/dbraw/zinc/82/82/28/652828228.db2.gz HUKLUGZGRRKOJB-IAQYHMDHSA-N 1 2 380.901 2.484 20 0 GEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000672151876 652828356 /nfs/dbraw/zinc/82/83/56/652828356.db2.gz CQAGCJRPTMOHOZ-LLVKDONJSA-N 1 2 387.237 2.232 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000637124384 652840718 /nfs/dbraw/zinc/84/07/18/652840718.db2.gz QVXHUNDTFHKVPL-AMIZOPFISA-N 1 2 381.205 2.142 20 0 GEADLO O=C(N[C@H]1COc2cc(F)c(Br)cc21)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637124387 652840758 /nfs/dbraw/zinc/84/07/58/652840758.db2.gz QVXHUNDTFHKVPL-SDBXPKJASA-N 1 2 381.205 2.142 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1(c2ccc(I)cc2)CC1 ZINC000598947575 652841588 /nfs/dbraw/zinc/84/15/88/652841588.db2.gz NWDSXEJXUBYPOX-CYBMUJFWSA-N 1 2 393.228 2.260 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NC(=S)NC[C@@H]2CCCO2)c2ccc(Cl)cc2)C1 ZINC000765516223 652842363 /nfs/dbraw/zinc/84/23/63/652842363.db2.gz GQTDAZXVPSTTIM-YESZJQIVSA-N 1 2 383.945 2.355 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NC(=S)NC[C@@H]2CCCO2)c2ccc(Cl)cc2)C1 ZINC000765516223 652842365 /nfs/dbraw/zinc/84/23/65/652842365.db2.gz GQTDAZXVPSTTIM-YESZJQIVSA-N 1 2 383.945 2.355 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=S)NC[C@H]2CCOC2)c2ccc(Cl)cc2)C1 ZINC000765519967 652842702 /nfs/dbraw/zinc/84/27/02/652842702.db2.gz JRFSLZBYLPTOOV-COXVUDFISA-N 1 2 383.945 2.212 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](NC(=S)NC[C@H]2CCOC2)c2ccc(Cl)cc2)C1 ZINC000765519967 652842704 /nfs/dbraw/zinc/84/27/04/652842704.db2.gz JRFSLZBYLPTOOV-COXVUDFISA-N 1 2 383.945 2.212 20 0 GEADLO O=C(NCc1ccsc1Br)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000672871882 652848007 /nfs/dbraw/zinc/84/80/07/652848007.db2.gz NXGWSDCWMZQJIX-GFCCVEGCSA-N 1 2 397.298 2.187 20 0 GEADLO CC1(C)CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC[N@@H+]1CCO ZINC000672878417 652848424 /nfs/dbraw/zinc/84/84/24/652848424.db2.gz CUSKKWZYNKXEDK-UHFFFAOYSA-N 1 2 381.325 2.212 20 0 GEADLO CC1(C)CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC[N@H+]1CCO ZINC000672878417 652848429 /nfs/dbraw/zinc/84/84/29/652848429.db2.gz CUSKKWZYNKXEDK-UHFFFAOYSA-N 1 2 381.325 2.212 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)N1CC(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000637472676 652862306 /nfs/dbraw/zinc/86/23/06/652862306.db2.gz HAWZOZHOVMXKPD-AWEZNQCLSA-N 1 2 394.324 2.035 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1ccc(Br)nc1 ZINC000766166380 652869887 /nfs/dbraw/zinc/86/98/87/652869887.db2.gz PBSIDXMOLOUPCS-UHFFFAOYSA-N 1 2 395.261 2.017 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000673572134 652870489 /nfs/dbraw/zinc/87/04/89/652870489.db2.gz VBUIZFAYMPFDHV-GHMZBOCLSA-N 1 2 389.905 2.020 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000673572134 652870491 /nfs/dbraw/zinc/87/04/91/652870491.db2.gz VBUIZFAYMPFDHV-GHMZBOCLSA-N 1 2 389.905 2.020 20 0 GEADLO NS(=O)(=O)c1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)s1 ZINC000637835801 652875191 /nfs/dbraw/zinc/87/51/91/652875191.db2.gz KBLRWOKRSNTUJF-QPJJXVBHSA-N 1 2 377.535 2.227 20 0 GEADLO CCOC1CC[NH+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000637928425 652877755 /nfs/dbraw/zinc/87/77/55/652877755.db2.gz WGAXNQFDIQATSW-UHFFFAOYSA-N 1 2 377.304 2.097 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC000599561867 652878062 /nfs/dbraw/zinc/87/80/62/652878062.db2.gz CVHASCMICAAEPF-MRXNPFEDSA-N 1 2 382.258 2.100 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC000599561867 652878065 /nfs/dbraw/zinc/87/80/65/652878065.db2.gz CVHASCMICAAEPF-MRXNPFEDSA-N 1 2 382.258 2.100 20 0 GEADLO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674204214 652890526 /nfs/dbraw/zinc/89/05/26/652890526.db2.gz WRYKRIZFHJTBCQ-GFCCVEGCSA-N 1 2 377.242 2.448 20 0 GEADLO CC(C)Cc1nnc(NC(=O)CN2CCC([N@H+](C)CC(F)F)CC2)s1 ZINC000766898990 652903116 /nfs/dbraw/zinc/90/31/16/652903116.db2.gz LAKYDVOXVCKTSZ-UHFFFAOYSA-N 1 2 375.489 2.336 20 0 GEADLO CC(C)Cc1nnc(NC(=O)CN2CCC([N@@H+](C)CC(F)F)CC2)s1 ZINC000766898990 652903120 /nfs/dbraw/zinc/90/31/20/652903120.db2.gz LAKYDVOXVCKTSZ-UHFFFAOYSA-N 1 2 375.489 2.336 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(C)c(Br)cn3)C2)nn1 ZINC000600152598 652905867 /nfs/dbraw/zinc/90/58/67/652905867.db2.gz TZFIKRYZDAOBMU-ZDUSSCGKSA-N 1 2 394.273 2.368 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cc(C)c(Br)cn3)C2)nn1 ZINC000600152598 652905872 /nfs/dbraw/zinc/90/58/72/652905872.db2.gz TZFIKRYZDAOBMU-ZDUSSCGKSA-N 1 2 394.273 2.368 20 0 GEADLO C[C@H]1C[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[N@@H+]1C1CC1 ZINC000674688448 652908255 /nfs/dbraw/zinc/90/82/55/652908255.db2.gz ABWXUBWONBNTOL-JSGCOSHPSA-N 1 2 382.913 2.388 20 0 GEADLO C[C@H]1C[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[N@H+]1C1CC1 ZINC000674688448 652908264 /nfs/dbraw/zinc/90/82/64/652908264.db2.gz ABWXUBWONBNTOL-JSGCOSHPSA-N 1 2 382.913 2.388 20 0 GEADLO NS(=O)(=O)c1cc(C[N@@H+]2CCSC3(CCOCC3)C2)ccc1Cl ZINC000639055924 652918305 /nfs/dbraw/zinc/91/83/05/652918305.db2.gz DETSYAUCBNLSPG-UHFFFAOYSA-N 1 2 376.931 2.085 20 0 GEADLO NS(=O)(=O)c1cc(C[N@H+]2CCSC3(CCOCC3)C2)ccc1Cl ZINC000639055924 652918311 /nfs/dbraw/zinc/91/83/11/652918311.db2.gz DETSYAUCBNLSPG-UHFFFAOYSA-N 1 2 376.931 2.085 20 0 GEADLO CN(C)C(=O)C[NH+]1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000675548609 652932818 /nfs/dbraw/zinc/93/28/18/652932818.db2.gz WUXICFFZHCWWGF-UHFFFAOYSA-N 1 2 377.286 2.208 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)s1 ZINC000675584155 652933447 /nfs/dbraw/zinc/93/34/47/652933447.db2.gz SWLQYZORHAZLMS-LLVKDONJSA-N 1 2 378.479 2.071 20 0 GEADLO Cc1cc(Cl)c(C)c(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1Cl ZINC000600780073 652933632 /nfs/dbraw/zinc/93/36/32/652933632.db2.gz MKOSRWOVTQNSNS-GFCCVEGCSA-N 1 2 380.341 2.134 20 0 GEADLO Cc1cc(Cl)c(C)c(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1Cl ZINC000600780073 652933639 /nfs/dbraw/zinc/93/36/39/652933639.db2.gz MKOSRWOVTQNSNS-GFCCVEGCSA-N 1 2 380.341 2.134 20 0 GEADLO Cc1ncc(CNC(=O)CC[N@@H+](C)Cc2nccn2CC(F)(F)F)s1 ZINC000639475264 652938719 /nfs/dbraw/zinc/93/87/19/652938719.db2.gz YNTMEGYUOVFFGO-UHFFFAOYSA-N 1 2 375.420 2.349 20 0 GEADLO Cc1ncc(CNC(=O)CC[N@H+](C)Cc2nccn2CC(F)(F)F)s1 ZINC000639475264 652938724 /nfs/dbraw/zinc/93/87/24/652938724.db2.gz YNTMEGYUOVFFGO-UHFFFAOYSA-N 1 2 375.420 2.349 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C2)[nH]1 ZINC000639645121 652945747 /nfs/dbraw/zinc/94/57/47/652945747.db2.gz GQPPRYNOGXQJIK-ZWNOBZJWSA-N 1 2 387.267 2.436 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C2)[nH]1 ZINC000639645121 652945750 /nfs/dbraw/zinc/94/57/50/652945750.db2.gz GQPPRYNOGXQJIK-ZWNOBZJWSA-N 1 2 387.267 2.436 20 0 GEADLO O=c1[nH]c(C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)nc2ccsc21 ZINC000639775157 652954456 /nfs/dbraw/zinc/95/44/56/652954456.db2.gz JSMONDUKYZSZQK-ZDUSSCGKSA-N 1 2 380.539 2.037 20 0 GEADLO O=c1[nH]c(C[N@@H+](CCN2CCOCC2)[C@H]2CCSC2)nc2ccsc21 ZINC000639775157 652954463 /nfs/dbraw/zinc/95/44/63/652954463.db2.gz JSMONDUKYZSZQK-ZDUSSCGKSA-N 1 2 380.539 2.037 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639818787 652956866 /nfs/dbraw/zinc/95/68/66/652956866.db2.gz SVAOJCGSGHBROO-LSDHHAIUSA-N 1 2 378.274 2.294 20 0 GEADLO NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639818787 652956870 /nfs/dbraw/zinc/95/68/70/652956870.db2.gz SVAOJCGSGHBROO-LSDHHAIUSA-N 1 2 378.274 2.294 20 0 GEADLO COCCOc1ccc(Br)cc1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000639932613 653089393 /nfs/dbraw/zinc/08/93/93/653089393.db2.gz YWFCHAZRECDDFH-LBPRGKRZSA-N 1 2 395.257 2.417 20 0 GEADLO COc1cc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)ncc1Br ZINC000639966522 653091133 /nfs/dbraw/zinc/09/11/33/653091133.db2.gz IKTWFUDPANSDBL-GHMZBOCLSA-N 1 2 387.278 2.083 20 0 GEADLO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000640123785 653096254 /nfs/dbraw/zinc/09/62/54/653096254.db2.gz DHMIWHHULCFELQ-LLVKDONJSA-N 1 2 382.873 2.465 20 0 GEADLO CCOCCN1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000676477021 653097273 /nfs/dbraw/zinc/09/72/73/653097273.db2.gz FAOMZILCAQECRW-AWEZNQCLSA-N 1 2 377.312 2.387 20 0 GEADLO CCc1ccc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)s1 ZINC000676494453 653098397 /nfs/dbraw/zinc/09/83/97/653098397.db2.gz YIWBTGZUMUJCRT-UHFFFAOYSA-N 1 2 380.539 2.399 20 0 GEADLO O=c1[nH]nc(C2CC[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC2)[nH]1 ZINC000676662243 653103553 /nfs/dbraw/zinc/10/35/53/653103553.db2.gz UCGWZCWGZMFQGP-NSHDSACASA-N 1 2 387.267 2.436 20 0 GEADLO O=c1[nH]nc(C2CC[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC2)[nH]1 ZINC000676662241 653103772 /nfs/dbraw/zinc/10/37/72/653103772.db2.gz UCGWZCWGZMFQGP-LLVKDONJSA-N 1 2 387.267 2.436 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2nc3ccc(Br)cc3n2C)C1 ZINC000805472341 653118668 /nfs/dbraw/zinc/11/86/68/653118668.db2.gz HDFRCTRMKYJWTM-AWEZNQCLSA-N 1 2 382.258 2.100 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OCc2nc3ccc(Br)cc3n2C)C1 ZINC000805472341 653118671 /nfs/dbraw/zinc/11/86/71/653118671.db2.gz HDFRCTRMKYJWTM-AWEZNQCLSA-N 1 2 382.258 2.100 20 0 GEADLO CCOCC[N@H+](C)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000771634715 653122441 /nfs/dbraw/zinc/12/24/41/653122441.db2.gz BCLPUMPLISQTSA-MRXNPFEDSA-N 1 2 384.274 2.142 20 0 GEADLO CCOCC[N@@H+](C)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000771634715 653122446 /nfs/dbraw/zinc/12/24/46/653122446.db2.gz BCLPUMPLISQTSA-MRXNPFEDSA-N 1 2 384.274 2.142 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@H]1C ZINC000678039388 653124298 /nfs/dbraw/zinc/12/42/98/653124298.db2.gz OWIHCSPWKHVWLS-GFCCVEGCSA-N 1 2 390.347 2.230 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@H]1C ZINC000678039388 653124304 /nfs/dbraw/zinc/12/43/04/653124304.db2.gz OWIHCSPWKHVWLS-GFCCVEGCSA-N 1 2 390.347 2.230 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000601967283 653134288 /nfs/dbraw/zinc/13/42/88/653134288.db2.gz FZNVQRSZBITPDM-ZDUSSCGKSA-N 1 2 383.857 2.007 20 0 GEADLO C[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)N1CCSc2ccccc21 ZINC000772046513 653138313 /nfs/dbraw/zinc/13/83/13/653138313.db2.gz JZCBXLCQQBRTFS-KBPBESRZSA-N 1 2 380.535 2.494 20 0 GEADLO C[C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)N1CCSc2ccccc21 ZINC000772046513 653138314 /nfs/dbraw/zinc/13/83/14/653138314.db2.gz JZCBXLCQQBRTFS-KBPBESRZSA-N 1 2 380.535 2.494 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000640885380 653143807 /nfs/dbraw/zinc/14/38/07/653143807.db2.gz UCLYOKGRVUCNQD-UHFFFAOYSA-N 1 2 379.251 2.488 20 0 GEADLO C[N@H+](CCO)Cc1cn(Cc2cc(Br)cc3cccnc32)nn1 ZINC000640949012 653146958 /nfs/dbraw/zinc/14/69/58/653146958.db2.gz BQEQGODWWAAXMQ-UHFFFAOYSA-N 1 2 376.258 2.061 20 0 GEADLO C[N@@H+](CCO)Cc1cn(Cc2cc(Br)cc3cccnc32)nn1 ZINC000640949012 653146964 /nfs/dbraw/zinc/14/69/64/653146964.db2.gz BQEQGODWWAAXMQ-UHFFFAOYSA-N 1 2 376.258 2.061 20 0 GEADLO C[C@H](c1ccc(Cl)c(Cl)c1)n1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000640989755 653149094 /nfs/dbraw/zinc/14/90/94/653149094.db2.gz GVBHOJWUKODBEV-PWSUYJOCSA-N 1 2 389.308 2.471 20 0 GEADLO COC(=O)c1cnc([C@@H](C)NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)s1 ZINC000602166174 653153164 /nfs/dbraw/zinc/15/31/64/653153164.db2.gz IRTAKVMWGLRSGN-PSASIEDQSA-N 1 2 376.360 2.497 20 0 GEADLO CCCCn1nc(C)c(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c1Cl ZINC000772602131 653155945 /nfs/dbraw/zinc/15/59/45/653155945.db2.gz WDJZVTFLSDRWHR-AWEZNQCLSA-N 1 2 376.954 2.406 20 0 GEADLO CCCCn1nc(C)c(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c1Cl ZINC000772602131 653155948 /nfs/dbraw/zinc/15/59/48/653155948.db2.gz WDJZVTFLSDRWHR-AWEZNQCLSA-N 1 2 376.954 2.406 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000769513621 653160128 /nfs/dbraw/zinc/16/01/28/653160128.db2.gz DBMJWSYRZDPONB-SOUVJXGZSA-N 1 2 387.933 2.063 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000769513621 653160129 /nfs/dbraw/zinc/16/01/29/653160129.db2.gz DBMJWSYRZDPONB-SOUVJXGZSA-N 1 2 387.933 2.063 20 0 GEADLO C[N@H+](Cc1cc(Br)c2c(c1)OCCO2)CC(C)(C)S(C)(=O)=O ZINC000769519693 653160843 /nfs/dbraw/zinc/16/08/43/653160843.db2.gz XPYIXRHIAOXVTI-UHFFFAOYSA-N 1 2 392.315 2.475 20 0 GEADLO C[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)CC(C)(C)S(C)(=O)=O ZINC000769519693 653160845 /nfs/dbraw/zinc/16/08/45/653160845.db2.gz XPYIXRHIAOXVTI-UHFFFAOYSA-N 1 2 392.315 2.475 20 0 GEADLO C[C@H](c1cc(Cl)ccc1Cl)n1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000641132543 653161281 /nfs/dbraw/zinc/16/12/81/653161281.db2.gz MCFOMENTFLMBFG-PWSUYJOCSA-N 1 2 389.308 2.471 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn(CCCCc3cccc(Cl)c3)nn2)C1 ZINC000641142235 653162173 /nfs/dbraw/zinc/16/21/73/653162173.db2.gz ZHIIIBWKHPSZOH-INIZCTEOSA-N 1 2 382.917 2.231 20 0 GEADLO C[C@H](CCSc1ccccc1)n1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC000641140167 653162287 /nfs/dbraw/zinc/16/22/87/653162287.db2.gz LITKSMCPKBASRY-HUUCEWRRSA-N 1 2 380.539 2.298 20 0 GEADLO COCC[N@H+](C)Cc1cn(C[C@H](O)COc2cc(Cl)ccc2Cl)nn1 ZINC000641202724 653169426 /nfs/dbraw/zinc/16/94/26/653169426.db2.gz NVXZRENARDQOJN-AWEZNQCLSA-N 1 2 389.283 2.103 20 0 GEADLO COCC[N@@H+](C)Cc1cn(C[C@H](O)COc2cc(Cl)ccc2Cl)nn1 ZINC000641202724 653169430 /nfs/dbraw/zinc/16/94/30/653169430.db2.gz NVXZRENARDQOJN-AWEZNQCLSA-N 1 2 389.283 2.103 20 0 GEADLO C[C@H](NC(=S)NCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000769797680 653178070 /nfs/dbraw/zinc/17/80/70/653178070.db2.gz YRJKWUWNQYQWNP-FZMZJTMJSA-N 1 2 377.432 2.268 20 0 GEADLO C[C@H](NC(=S)NCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000769797680 653178077 /nfs/dbraw/zinc/17/80/77/653178077.db2.gz YRJKWUWNQYQWNP-FZMZJTMJSA-N 1 2 377.432 2.268 20 0 GEADLO O=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641288055 653178992 /nfs/dbraw/zinc/17/89/92/653178992.db2.gz CDNVEDNGDANHKP-UHFFFAOYSA-N 1 2 381.885 2.461 20 0 GEADLO CN(Cc1cc(Br)ccc1F)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641302695 653182621 /nfs/dbraw/zinc/18/26/21/653182621.db2.gz NKPOHPULYGANKU-UHFFFAOYSA-N 1 2 376.251 2.247 20 0 GEADLO Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000681691163 653189879 /nfs/dbraw/zinc/18/98/79/653189879.db2.gz GYRSYCBBFORINQ-SECBINFHSA-N 1 2 376.301 2.309 20 0 GEADLO CC[N@H+](CCC(=O)OC)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773311365 653192204 /nfs/dbraw/zinc/19/22/04/653192204.db2.gz QZJGAAVFLBLYHR-UHFFFAOYSA-N 1 2 375.194 2.339 20 0 GEADLO CC[N@@H+](CCC(=O)OC)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773311365 653192210 /nfs/dbraw/zinc/19/22/10/653192210.db2.gz QZJGAAVFLBLYHR-UHFFFAOYSA-N 1 2 375.194 2.339 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)[C@H]1C ZINC000773323948 653193071 /nfs/dbraw/zinc/19/30/71/653193071.db2.gz DKHFDGSKBSYNHV-DTWKUNHWSA-N 1 2 387.205 2.337 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)[C@H]1C ZINC000773323948 653193079 /nfs/dbraw/zinc/19/30/79/653193079.db2.gz DKHFDGSKBSYNHV-DTWKUNHWSA-N 1 2 387.205 2.337 20 0 GEADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000602596184 653193390 /nfs/dbraw/zinc/19/33/90/653193390.db2.gz NARGUGMAGMOSFQ-ZDUSSCGKSA-N 1 2 388.917 2.399 20 0 GEADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000602596184 653193394 /nfs/dbraw/zinc/19/33/94/653193394.db2.gz NARGUGMAGMOSFQ-ZDUSSCGKSA-N 1 2 388.917 2.399 20 0 GEADLO CN1CCC2(CC[NH+](CN3C(=S)N=NC3Cc3cccs3)CC2)C1=O ZINC000773329310 653193679 /nfs/dbraw/zinc/19/36/79/653193679.db2.gz QUDDYFVHQKRRFB-UHFFFAOYSA-N 1 2 377.539 2.121 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCCOc2ccc(Cl)cn2)C1 ZINC000641379088 653195399 /nfs/dbraw/zinc/19/53/99/653195399.db2.gz ONIXBLPUGTZRBD-UHFFFAOYSA-N 1 2 381.885 2.080 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCCOc2ccc(Cl)cn2)C1 ZINC000641379088 653195407 /nfs/dbraw/zinc/19/54/07/653195407.db2.gz ONIXBLPUGTZRBD-UHFFFAOYSA-N 1 2 381.885 2.080 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000641386829 653196545 /nfs/dbraw/zinc/19/65/45/653196545.db2.gz LEYJHDAABOCFHB-YJBOKZPZSA-N 1 2 382.551 2.008 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000641386829 653196549 /nfs/dbraw/zinc/19/65/49/653196549.db2.gz LEYJHDAABOCFHB-YJBOKZPZSA-N 1 2 382.551 2.008 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(I)s2)C1 ZINC000602721927 653202441 /nfs/dbraw/zinc/20/24/41/653202441.db2.gz VKTWVPVVYROUFX-GFCCVEGCSA-N 1 2 381.235 2.117 20 0 GEADLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(I)s2)C1 ZINC000602721927 653202443 /nfs/dbraw/zinc/20/24/43/653202443.db2.gz VKTWVPVVYROUFX-GFCCVEGCSA-N 1 2 381.235 2.117 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602802192 653207406 /nfs/dbraw/zinc/20/74/06/653207406.db2.gz OYMWYMZKJPCPQR-YCPHGPKFSA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602802192 653207419 /nfs/dbraw/zinc/20/74/19/653207419.db2.gz OYMWYMZKJPCPQR-YCPHGPKFSA-N 1 2 392.279 2.386 20 0 GEADLO Cn1cc(I)c(C(=O)NCCCCNc2cccc[nH+]2)n1 ZINC000602843777 653209315 /nfs/dbraw/zinc/20/93/15/653209315.db2.gz DOJHPKLRHGWTCE-UHFFFAOYSA-N 1 2 399.236 2.042 20 0 GEADLO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(Cl)ccc1I ZINC000602899271 653213642 /nfs/dbraw/zinc/21/36/42/653213642.db2.gz PBPCKNKMSJBXIN-WCQYABFASA-N 1 2 381.641 2.262 20 0 GEADLO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(Cl)ccc1I ZINC000602899271 653213697 /nfs/dbraw/zinc/21/36/97/653213697.db2.gz PBPCKNKMSJBXIN-WCQYABFASA-N 1 2 381.641 2.262 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000641543340 653220068 /nfs/dbraw/zinc/22/00/68/653220068.db2.gz QLCNRHKESDSWQC-UHFFFAOYSA-N 1 2 380.539 2.428 20 0 GEADLO CN1CC[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1=O ZINC000682691805 653221853 /nfs/dbraw/zinc/22/18/53/653221853.db2.gz OCRYXUOTWWOVAS-RDJZCZTQSA-N 1 2 394.313 2.323 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000683254829 653232564 /nfs/dbraw/zinc/23/25/64/653232564.db2.gz DJUXUJDLGXGTAY-HUUCEWRRSA-N 1 2 392.297 2.175 20 0 GEADLO Cc1nn(C)c(C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)c1Br ZINC000857062970 653280985 /nfs/dbraw/zinc/28/09/85/653280985.db2.gz POULGKGDIOWKIX-INIZCTEOSA-N 1 2 382.306 2.170 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809656161 653287978 /nfs/dbraw/zinc/28/79/78/653287978.db2.gz XRVRFNWDFCUTEW-GXTWGEPZSA-N 1 2 388.295 2.487 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809656161 653287984 /nfs/dbraw/zinc/28/79/84/653287984.db2.gz XRVRFNWDFCUTEW-GXTWGEPZSA-N 1 2 388.295 2.487 20 0 GEADLO CCS(=O)(=O)N1CC[N@H+](Cc2sc3nc(C)nc(C)c3c2C)[C@H](C)C1 ZINC000809725084 653291767 /nfs/dbraw/zinc/29/17/67/653291767.db2.gz IXFGJOIZJHLWLQ-LLVKDONJSA-N 1 2 382.555 2.472 20 0 GEADLO CCS(=O)(=O)N1CC[N@@H+](Cc2sc3nc(C)nc(C)c3c2C)[C@H](C)C1 ZINC000809725084 653291770 /nfs/dbraw/zinc/29/17/70/653291770.db2.gz IXFGJOIZJHLWLQ-LLVKDONJSA-N 1 2 382.555 2.472 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2occc2Br)C1)C1CC1 ZINC000809784156 653294989 /nfs/dbraw/zinc/29/49/89/653294989.db2.gz HSZYAWGDRZGUEW-NSHDSACASA-N 1 2 377.304 2.336 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2occc2Br)C1)C1CC1 ZINC000809784156 653295005 /nfs/dbraw/zinc/29/50/05/653295005.db2.gz HSZYAWGDRZGUEW-NSHDSACASA-N 1 2 377.304 2.336 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)C[C@@H]1CCCC(F)(F)C1)[NH+]1CCN(C)CC1 ZINC000685296963 653302126 /nfs/dbraw/zinc/30/21/26/653302126.db2.gz XLANOYNAMSOZOF-CVEARBPZSA-N 1 2 381.533 2.003 20 0 GEADLO CCN(CC)C(=O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775488123 653314568 /nfs/dbraw/zinc/31/45/68/653314568.db2.gz HRHANCXOYDRUEX-CYBMUJFWSA-N 1 2 389.315 2.126 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N[C@@H](C)Cn2cc[nH+]c2)ccc1Br ZINC000775690498 653321781 /nfs/dbraw/zinc/32/17/81/653321781.db2.gz HHKUPAUPZBJJBL-JTQLQIEISA-N 1 2 386.271 2.215 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(Br)ncc1Cl ZINC000874705857 653332971 /nfs/dbraw/zinc/33/29/71/653332971.db2.gz HTIYMPDQIPSDCX-JTQLQIEISA-N 1 2 376.682 2.338 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(Br)ncc1Cl ZINC000874705857 653332977 /nfs/dbraw/zinc/33/29/77/653332977.db2.gz HTIYMPDQIPSDCX-JTQLQIEISA-N 1 2 376.682 2.338 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000874706723 653333855 /nfs/dbraw/zinc/33/38/55/653333855.db2.gz WQCZNDICJXTIGE-GFCCVEGCSA-N 1 2 381.274 2.166 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000874706723 653333860 /nfs/dbraw/zinc/33/38/60/653333860.db2.gz WQCZNDICJXTIGE-GFCCVEGCSA-N 1 2 381.274 2.166 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000874711280 653334291 /nfs/dbraw/zinc/33/42/91/653334291.db2.gz ONWCRKBKAQXUGC-CYBMUJFWSA-N 1 2 396.285 2.360 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000874711280 653334299 /nfs/dbraw/zinc/33/42/99/653334299.db2.gz ONWCRKBKAQXUGC-CYBMUJFWSA-N 1 2 396.285 2.360 20 0 GEADLO CNc1cc(I)ccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977304 653345646 /nfs/dbraw/zinc/34/56/46/653345646.db2.gz UVODVBFBTMZEKA-NSHDSACASA-N 1 2 382.205 2.404 20 0 GEADLO O=C(NCc1ncc(Cl)s1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000874996648 653346138 /nfs/dbraw/zinc/34/61/38/653346138.db2.gz GMVKJZCBPJXRNK-CQSZACIVSA-N 1 2 380.901 2.497 20 0 GEADLO O=C(NCc1ncc(Cl)s1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000874996648 653346142 /nfs/dbraw/zinc/34/61/42/653346142.db2.gz GMVKJZCBPJXRNK-CQSZACIVSA-N 1 2 380.901 2.497 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000857985947 653346316 /nfs/dbraw/zinc/34/63/16/653346316.db2.gz MJAFILANWSWMNZ-YPMHNXCESA-N 1 2 389.253 2.260 20 0 GEADLO COc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1I ZINC000857981950 653346348 /nfs/dbraw/zinc/34/63/48/653346348.db2.gz DBZHEDRZMNYGBL-LLVKDONJSA-N 1 2 383.189 2.371 20 0 GEADLO O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CCn2c[nH+]cc21 ZINC000857991557 653346735 /nfs/dbraw/zinc/34/67/35/653346735.db2.gz KTDFSFSVWKHCQO-GFCCVEGCSA-N 1 2 378.226 2.221 20 0 GEADLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)C2)nc1 ZINC000858039766 653347303 /nfs/dbraw/zinc/34/73/03/653347303.db2.gz JEFSNWPJSMJTLX-OAHLLOKOSA-N 1 2 381.885 2.344 20 0 GEADLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)C2)nc1 ZINC000858039766 653347308 /nfs/dbraw/zinc/34/73/08/653347308.db2.gz JEFSNWPJSMJTLX-OAHLLOKOSA-N 1 2 381.885 2.344 20 0 GEADLO Cn1nnc(Br)c1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000811000007 653369264 /nfs/dbraw/zinc/36/92/64/653369264.db2.gz YHSCHNKSKIGSBV-UHFFFAOYSA-N 1 2 381.278 2.107 20 0 GEADLO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Br)nc1F ZINC000858902755 653384124 /nfs/dbraw/zinc/38/41/24/653384124.db2.gz SKLRMOICMCNKEY-JTQLQIEISA-N 1 2 380.283 2.136 20 0 GEADLO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(Br)nc1F ZINC000858902755 653384127 /nfs/dbraw/zinc/38/41/27/653384127.db2.gz SKLRMOICMCNKEY-JTQLQIEISA-N 1 2 380.283 2.136 20 0 GEADLO CC[N@H+](CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)[C@@H]1CCOC1 ZINC000812297042 653421156 /nfs/dbraw/zinc/42/11/56/653421156.db2.gz WTLFETDJQXGMCO-PBHICJAKSA-N 1 2 396.285 2.284 20 0 GEADLO CC[N@@H+](CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)[C@@H]1CCOC1 ZINC000812297042 653421161 /nfs/dbraw/zinc/42/11/61/653421161.db2.gz WTLFETDJQXGMCO-PBHICJAKSA-N 1 2 396.285 2.284 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1c(Br)nc2n1CCCC2 ZINC000837494258 653443689 /nfs/dbraw/zinc/44/36/89/653443689.db2.gz VBEFBSONPBGVLW-GFCCVEGCSA-N 1 2 390.285 2.386 20 0 GEADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000876740722 653445208 /nfs/dbraw/zinc/44/52/08/653445208.db2.gz UMHHNCJLKQTDSL-MCIONIFRSA-N 1 2 378.535 2.112 20 0 GEADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000876740722 653445218 /nfs/dbraw/zinc/44/52/18/653445218.db2.gz UMHHNCJLKQTDSL-MCIONIFRSA-N 1 2 378.535 2.112 20 0 GEADLO Cc1ccnc(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1Br ZINC000876790820 653448548 /nfs/dbraw/zinc/44/85/48/653448548.db2.gz YWXPPNLZYFRXFO-HNNXBMFYSA-N 1 2 395.345 2.281 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000779563654 653490843 /nfs/dbraw/zinc/49/08/43/653490843.db2.gz PBOZHZINJPCMCF-VHSXEESVSA-N 1 2 386.271 2.169 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C)c(Br)cc1C ZINC000779564816 653497804 /nfs/dbraw/zinc/49/78/04/653497804.db2.gz CGJHBMJDGKHSEG-AWEZNQCLSA-N 1 2 380.242 2.234 20 0 GEADLO Cc1ccnc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1Br ZINC000877513921 653609605 /nfs/dbraw/zinc/60/96/05/653609605.db2.gz CVPWGCFFCUEAJU-CYBMUJFWSA-N 1 2 390.347 2.256 20 0 GEADLO Cc1ccnc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1Br ZINC000877513921 653609610 /nfs/dbraw/zinc/60/96/10/653609610.db2.gz CVPWGCFFCUEAJU-CYBMUJFWSA-N 1 2 390.347 2.256 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NC/C=C/c2ccc(Br)cc2)CCO1 ZINC000838116511 653609895 /nfs/dbraw/zinc/60/98/95/653609895.db2.gz VMSUSPGJVKOWNF-HSWBROFVSA-N 1 2 382.302 2.482 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NC/C=C/c2ccc(Br)cc2)CCO1 ZINC000838116511 653609900 /nfs/dbraw/zinc/60/99/00/653609900.db2.gz VMSUSPGJVKOWNF-HSWBROFVSA-N 1 2 382.302 2.482 20 0 GEADLO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000859944401 653612939 /nfs/dbraw/zinc/61/29/39/653612939.db2.gz VWMFJHGLGVTCKP-SJORKVTESA-N 1 2 399.329 2.094 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000877662881 653615939 /nfs/dbraw/zinc/61/59/39/653615939.db2.gz ZRVGYHUGTUUJBD-NSHDSACASA-N 1 2 384.395 2.486 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000877662881 653615940 /nfs/dbraw/zinc/61/59/40/653615940.db2.gz ZRVGYHUGTUUJBD-NSHDSACASA-N 1 2 384.395 2.486 20 0 GEADLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3cc(Br)nn3C)Cc3cccnc3N2C1 ZINC000877687440 653616734 /nfs/dbraw/zinc/61/67/34/653616734.db2.gz IQCLOWDEJXIWCU-HUUCEWRRSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3cc(Br)nn3C)Cc3cccnc3N2C1 ZINC000877687440 653616735 /nfs/dbraw/zinc/61/67/35/653616735.db2.gz IQCLOWDEJXIWCU-HUUCEWRRSA-N 1 2 392.301 2.187 20 0 GEADLO C[N@H+](CCS(N)(=O)=O)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000877826077 653621793 /nfs/dbraw/zinc/62/17/93/653621793.db2.gz OOMQLXPQPQRMEA-UHFFFAOYSA-N 1 2 391.209 2.068 20 0 GEADLO C[N@@H+](CCS(N)(=O)=O)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000877826077 653621794 /nfs/dbraw/zinc/62/17/94/653621794.db2.gz OOMQLXPQPQRMEA-UHFFFAOYSA-N 1 2 391.209 2.068 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000838562612 653625558 /nfs/dbraw/zinc/62/55/58/653625558.db2.gz SCZCRUWPCJUGOP-SWLSCSKDSA-N 1 2 393.285 2.335 20 0 GEADLO CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000838562610 653625655 /nfs/dbraw/zinc/62/56/55/653625655.db2.gz SCZCRUWPCJUGOP-DOMZBBRYSA-N 1 2 393.285 2.335 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cn3nc(C(F)(F)F)sc3=S)CC2)cn1 ZINC000780438379 653625876 /nfs/dbraw/zinc/62/58/76/653625876.db2.gz VFTJCWCOEHTVRA-UHFFFAOYSA-N 1 2 378.449 2.202 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)Nc2cc3c(cc2Br)OCCO3)c1 ZINC000838743928 653629442 /nfs/dbraw/zinc/62/94/42/653629442.db2.gz YAKQOGBYIPIOMA-UHFFFAOYSA-N 1 2 381.230 2.318 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c3nonc32)C1 ZINC000814390785 653629646 /nfs/dbraw/zinc/62/96/46/653629646.db2.gz MXSOVUCHYPEFOJ-JTQLQIEISA-N 1 2 381.845 2.178 20 0 GEADLO C[C@](O)(C1CC[NH+](C[C@H](O)c2cc(Br)no2)CC1)C(F)(F)F ZINC000878439783 653637410 /nfs/dbraw/zinc/63/74/10/653637410.db2.gz WQKPFEXCCCMKGH-CABZTGNLSA-N 1 2 387.196 2.496 20 0 GEADLO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000861346449 653655315 /nfs/dbraw/zinc/65/53/15/653655315.db2.gz IXUCCKMJDZHDKJ-BDJLRTHQSA-N 1 2 375.874 2.010 20 0 GEADLO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000861346449 653655316 /nfs/dbraw/zinc/65/53/16/653655316.db2.gz IXUCCKMJDZHDKJ-BDJLRTHQSA-N 1 2 375.874 2.010 20 0 GEADLO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000782274987 653658333 /nfs/dbraw/zinc/65/83/33/653658333.db2.gz WZBHHPABGSHMFD-DGCLKSJQSA-N 1 2 387.263 2.426 20 0 GEADLO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000782274987 653658339 /nfs/dbraw/zinc/65/83/39/653658339.db2.gz WZBHHPABGSHMFD-DGCLKSJQSA-N 1 2 387.263 2.426 20 0 GEADLO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000782274989 653658398 /nfs/dbraw/zinc/65/83/98/653658398.db2.gz WZBHHPABGSHMFD-YPMHNXCESA-N 1 2 387.263 2.426 20 0 GEADLO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000782274989 653658402 /nfs/dbraw/zinc/65/84/02/653658402.db2.gz WZBHHPABGSHMFD-YPMHNXCESA-N 1 2 387.263 2.426 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000782477873 653662119 /nfs/dbraw/zinc/66/21/19/653662119.db2.gz GVGYNHOMQCYNKJ-UHFFFAOYSA-N 1 2 390.234 2.039 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cc3c(Cl)n(C)nc3C(F)(F)F)CC2)cn1 ZINC000782471160 653662132 /nfs/dbraw/zinc/66/21/32/653662132.db2.gz BCJHFJKDTYFDOY-UHFFFAOYSA-N 1 2 376.814 2.144 20 0 GEADLO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000840046321 653672477 /nfs/dbraw/zinc/67/24/77/653672477.db2.gz DMSVSWPRNSRGEP-CVEARBPZSA-N 1 2 390.285 2.261 20 0 GEADLO O=C1[C@H](c2cccc(Br)c2)CCN1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000840046321 653672478 /nfs/dbraw/zinc/67/24/78/653672478.db2.gz DMSVSWPRNSRGEP-CVEARBPZSA-N 1 2 390.285 2.261 20 0 GEADLO COCC[N@H+](CN1CC[C@H](c2cccc(Br)c2)C1=O)[C@@H]1CCOC1 ZINC000840061650 653672979 /nfs/dbraw/zinc/67/29/79/653672979.db2.gz XTZRPUKNDYRTEU-IAGOWNOFSA-N 1 2 397.313 2.460 20 0 GEADLO COCC[N@@H+](CN1CC[C@H](c2cccc(Br)c2)C1=O)[C@@H]1CCOC1 ZINC000840061650 653672982 /nfs/dbraw/zinc/67/29/82/653672982.db2.gz XTZRPUKNDYRTEU-IAGOWNOFSA-N 1 2 397.313 2.460 20 0 GEADLO CC1(C)C[C@@H](O)C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000879616155 653674188 /nfs/dbraw/zinc/67/41/88/653674188.db2.gz SJFLYIRSKMDDRA-CYBMUJFWSA-N 1 2 376.316 2.316 20 0 GEADLO CC1(C)C[C@@H](O)C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000879616155 653674189 /nfs/dbraw/zinc/67/41/89/653674189.db2.gz SJFLYIRSKMDDRA-CYBMUJFWSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@]1(c2ccc(Br)cc2)NC(=O)N(C[N@@H+]2C[C@@H]3C[C@H]2CS3)C1=O ZINC000840168425 653677820 /nfs/dbraw/zinc/67/78/20/653677820.db2.gz JEVSLRNUHYJYTG-XEZPLFJOSA-N 1 2 396.310 2.363 20 0 GEADLO C[C@@]1(c2ccc(Br)cc2)NC(=O)N(C[N@H+]2C[C@@H]3C[C@H]2CS3)C1=O ZINC000840168425 653677822 /nfs/dbraw/zinc/67/78/22/653677822.db2.gz JEVSLRNUHYJYTG-XEZPLFJOSA-N 1 2 396.310 2.363 20 0 GEADLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000879764430 653681260 /nfs/dbraw/zinc/68/12/60/653681260.db2.gz XLJRMEMZQPGIBH-ABAIWWIYSA-N 1 2 380.794 2.223 20 0 GEADLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000879764430 653681262 /nfs/dbraw/zinc/68/12/62/653681262.db2.gz XLJRMEMZQPGIBH-ABAIWWIYSA-N 1 2 380.794 2.223 20 0 GEADLO CSc1ccc(/C=C/C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)s1 ZINC000862641779 653690651 /nfs/dbraw/zinc/69/06/51/653690651.db2.gz DCHQRFHEOXDMRO-JXTAAOLFSA-N 1 2 382.551 2.215 20 0 GEADLO CSc1ccc(/C=C/C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)s1 ZINC000862641779 653690653 /nfs/dbraw/zinc/69/06/53/653690653.db2.gz DCHQRFHEOXDMRO-JXTAAOLFSA-N 1 2 382.551 2.215 20 0 GEADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2nc(Cl)sc2Cl)CC1 ZINC000816836931 653694283 /nfs/dbraw/zinc/69/42/83/653694283.db2.gz FEZARTTUDXKJCS-UHFFFAOYSA-N 1 2 398.279 2.089 20 0 GEADLO O=C(OCCCn1cc[nH+]c1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000784644161 653697656 /nfs/dbraw/zinc/69/76/56/653697656.db2.gz VBIABMUXEOZBLN-UHFFFAOYSA-N 1 2 380.198 2.224 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)Cc1cccc(I)c1 ZINC000784917130 653701387 /nfs/dbraw/zinc/70/13/87/653701387.db2.gz CAYVZGQQMIIUOV-GFCCVEGCSA-N 1 2 389.233 2.098 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000784917877 653701488 /nfs/dbraw/zinc/70/14/88/653701488.db2.gz HXLDBAGNBOEBEK-ABAIWWIYSA-N 1 2 384.885 2.407 20 0 GEADLO CC[C@H](NC(=S)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)c1cccs1 ZINC000863209951 653703508 /nfs/dbraw/zinc/70/35/08/653703508.db2.gz GZYCQVIVVMZPNI-KSSFIOAISA-N 1 2 383.583 2.279 20 0 GEADLO CC[C@H](NC(=S)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)c1cccs1 ZINC000863209951 653703510 /nfs/dbraw/zinc/70/35/10/653703510.db2.gz GZYCQVIVVMZPNI-KSSFIOAISA-N 1 2 383.583 2.279 20 0 GEADLO CC1(C)[C@@H](NC(=O)c2ccc(Br)c(O)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000880497395 653706852 /nfs/dbraw/zinc/70/68/52/653706852.db2.gz ZAZWNRKSXDDSOH-GJZGRUSLSA-N 1 2 383.286 2.384 20 0 GEADLO COC(=O)[C@]1(O)CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000880562895 653708155 /nfs/dbraw/zinc/70/81/55/653708155.db2.gz UPEPYLFTUSKCIB-INIZCTEOSA-N 1 2 381.226 2.214 20 0 GEADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000880562895 653708156 /nfs/dbraw/zinc/70/81/56/653708156.db2.gz UPEPYLFTUSKCIB-INIZCTEOSA-N 1 2 381.226 2.214 20 0 GEADLO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000863385277 653708819 /nfs/dbraw/zinc/70/88/19/653708819.db2.gz BLAPACVNOFUGTO-BXUZGUMPSA-N 1 2 385.233 2.356 20 0 GEADLO CC[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785530544 653711682 /nfs/dbraw/zinc/71/16/82/653711682.db2.gz XWLJCNFSHRHQJK-CYBMUJFWSA-N 1 2 394.331 2.075 20 0 GEADLO CC[C@@H](O)C[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785530544 653711685 /nfs/dbraw/zinc/71/16/85/653711685.db2.gz XWLJCNFSHRHQJK-CYBMUJFWSA-N 1 2 394.331 2.075 20 0 GEADLO CC(=O)c1ccc(Br)c(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000880806785 653715120 /nfs/dbraw/zinc/71/51/20/653715120.db2.gz LDKBKSCLJODDGM-NSHDSACASA-N 1 2 384.274 2.182 20 0 GEADLO CC(=O)c1ccc(Br)c(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000880806785 653715121 /nfs/dbraw/zinc/71/51/21/653715121.db2.gz LDKBKSCLJODDGM-NSHDSACASA-N 1 2 384.274 2.182 20 0 GEADLO Cc1cc(NCCNC(=O)Cc2c(Br)cnn2C)nc(C(C)C)[nH+]1 ZINC000880841675 653716235 /nfs/dbraw/zinc/71/62/35/653716235.db2.gz BHMGLCDBMXRACH-UHFFFAOYSA-N 1 2 395.305 2.175 20 0 GEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1sccc1Cl ZINC000785912997 653716722 /nfs/dbraw/zinc/71/67/22/653716722.db2.gz FNXFZAUSFIHICU-CQSZACIVSA-N 1 2 386.901 2.158 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C(F)(F)c1ccccc1Br ZINC000841457709 653717903 /nfs/dbraw/zinc/71/79/03/653717903.db2.gz VTUIHSYPNPOVIT-NWDGAFQWSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C(F)(F)c1ccccc1Br ZINC000841457709 653717905 /nfs/dbraw/zinc/71/79/05/653717905.db2.gz VTUIHSYPNPOVIT-NWDGAFQWSA-N 1 2 391.256 2.454 20 0 GEADLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)CC1 ZINC000841492533 653720772 /nfs/dbraw/zinc/72/07/72/653720772.db2.gz KUOITEBXSRIUES-UHFFFAOYSA-N 1 2 389.930 2.027 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)[C@@H](C)C[N@@H+]1CCO ZINC000841573386 653736875 /nfs/dbraw/zinc/73/68/75/653736875.db2.gz MJKJHUXFHJVWLV-MNOVXSKESA-N 1 2 389.930 2.025 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)[C@@H](C)C[N@H+]1CCO ZINC000841573386 653736878 /nfs/dbraw/zinc/73/68/78/653736878.db2.gz MJKJHUXFHJVWLV-MNOVXSKESA-N 1 2 389.930 2.025 20 0 GEADLO Cc1nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c[nH]1 ZINC000787536511 653739819 /nfs/dbraw/zinc/73/98/19/653739819.db2.gz QCLPHWFCSIEVAV-UHFFFAOYSA-N 1 2 378.274 2.485 20 0 GEADLO Cn1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n1 ZINC000787674300 653742007 /nfs/dbraw/zinc/74/20/07/653742007.db2.gz MGMRNEGBFWSQTB-UHFFFAOYSA-N 1 2 378.274 2.187 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn([C@H]3C[C@H](Sc4ccccc4)C3)nn2)C1 ZINC000864653311 653742962 /nfs/dbraw/zinc/74/29/62/653742962.db2.gz YIWRUVYNOGYIJH-QRTARXTBSA-N 1 2 378.523 2.051 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C1CCCCC1 ZINC000881870498 653745355 /nfs/dbraw/zinc/74/53/55/653745355.db2.gz SHLFQULFUBYCAR-CMJOXMDJSA-N 1 2 377.576 2.222 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000864879537 653747447 /nfs/dbraw/zinc/74/74/47/653747447.db2.gz MNEVWRJXRANXAA-KLWIRTJPSA-N 1 2 379.298 2.172 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC000864879535 653747596 /nfs/dbraw/zinc/74/75/96/653747596.db2.gz MNEVWRJXRANXAA-GLZXHMCRSA-N 1 2 379.298 2.172 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000819272579 653747771 /nfs/dbraw/zinc/74/77/71/653747771.db2.gz ZLXGLLLLFVPEKB-UHFFFAOYSA-N 1 2 385.379 2.089 20 0 GEADLO COc1cc(Br)c(NC(=O)/C=C/C[NH+]2CCOCC2)cc1OC ZINC000864982419 653750415 /nfs/dbraw/zinc/75/04/15/653750415.db2.gz SGRZHONZSVJRCS-ONEGZZNKSA-N 1 2 385.258 2.293 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000881986567 653755134 /nfs/dbraw/zinc/75/51/34/653755134.db2.gz MZJUXHQKSCMEFD-ROYPQONJSA-N 1 2 388.559 2.441 20 0 GEADLO CN(CCCn1cc[nH+]c1)c1cnn(CC(F)(F)F)c(=O)c1Br ZINC000882108368 653762922 /nfs/dbraw/zinc/76/29/22/653762922.db2.gz HBPMNCUIEJYSPL-UHFFFAOYSA-N 1 2 394.195 2.291 20 0 GEADLO O=C(C[NH2+]Cc1cccnc1Br)Nc1ccc2c(c1)OCCO2 ZINC000865644422 653770880 /nfs/dbraw/zinc/77/08/80/653770880.db2.gz QMFOPDAHDHHPAA-UHFFFAOYSA-N 1 2 378.226 2.344 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cscc1Br ZINC000842964206 653775054 /nfs/dbraw/zinc/77/50/54/653775054.db2.gz KRGKEDYVNWTJNP-MNOVXSKESA-N 1 2 378.288 2.403 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cscc1Br ZINC000842964206 653775060 /nfs/dbraw/zinc/77/50/60/653775060.db2.gz KRGKEDYVNWTJNP-MNOVXSKESA-N 1 2 378.288 2.403 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)Cc1sccc1Br ZINC000842965669 653775243 /nfs/dbraw/zinc/77/52/43/653775243.db2.gz NWFWAJMNMKLBKC-NWDGAFQWSA-N 1 2 392.315 2.332 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)Cc1sccc1Br ZINC000842965669 653775248 /nfs/dbraw/zinc/77/52/48/653775248.db2.gz NWFWAJMNMKLBKC-NWDGAFQWSA-N 1 2 392.315 2.332 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000865868429 653778084 /nfs/dbraw/zinc/77/80/84/653778084.db2.gz JKYYGERTSXZIDW-UHFFFAOYSA-N 1 2 399.158 2.073 20 0 GEADLO COc1ccc(OC)c(C[NH2+]Cc2c(I)cnn2C)c1 ZINC000865867428 653777908 /nfs/dbraw/zinc/77/79/08/653777908.db2.gz AZSXCLHEQTVOLJ-UHFFFAOYSA-N 1 2 387.221 2.332 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000865868442 653778099 /nfs/dbraw/zinc/77/80/99/653778099.db2.gz OQPWDHLACHDSAJ-UHFFFAOYSA-N 1 2 399.232 2.476 20 0 GEADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)[nH+]1 ZINC000789598876 653778591 /nfs/dbraw/zinc/77/85/91/653778591.db2.gz GVVKTSRZSDHZQT-UHFFFAOYSA-N 1 2 388.787 2.308 20 0 GEADLO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000882413143 653780640 /nfs/dbraw/zinc/78/06/40/653780640.db2.gz BIMFFOWNSHVOAS-MGPQQGTHSA-N 1 2 397.368 2.133 20 0 GEADLO Cc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(F)c1Cl ZINC000789939570 653783286 /nfs/dbraw/zinc/78/32/86/653783286.db2.gz GVTQMAJAMXMYIT-UHFFFAOYSA-N 1 2 376.881 2.026 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCC1(c2ccc(Br)cc2)CC1 ZINC000882514584 653786022 /nfs/dbraw/zinc/78/60/22/653786022.db2.gz XXOXKSPKNKMPRO-UHFFFAOYSA-N 1 2 384.299 2.297 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000843433488 653787058 /nfs/dbraw/zinc/78/70/58/653787058.db2.gz BAEIXJSDYOIKKP-MWLCHTKSSA-N 1 2 385.283 2.415 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2nc3ccc(Br)cc3s2)C1 ZINC000843433488 653787060 /nfs/dbraw/zinc/78/70/60/653787060.db2.gz BAEIXJSDYOIKKP-MWLCHTKSSA-N 1 2 385.283 2.415 20 0 GEADLO CCn1ncc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1Br ZINC000820975521 653787949 /nfs/dbraw/zinc/78/79/49/653787949.db2.gz RBIOWWXDGAZGSI-UONOGXRCSA-N 1 2 385.306 2.039 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N(C)Cc2ccc(F)cc2Br)CCO1 ZINC000790269687 653788635 /nfs/dbraw/zinc/78/86/35/653788635.db2.gz GIXIUBRPMHFTID-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)Cc2ccc(F)cc2Br)CCO1 ZINC000790269687 653788636 /nfs/dbraw/zinc/78/86/36/653788636.db2.gz GIXIUBRPMHFTID-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000821015239 653788876 /nfs/dbraw/zinc/78/88/76/653788876.db2.gz JZWRYGLSGDFCLP-ZDUSSCGKSA-N 1 2 397.317 2.299 20 0 GEADLO Cn1ncc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1C(F)(F)F ZINC000866469741 653797332 /nfs/dbraw/zinc/79/73/32/653797332.db2.gz WYSXUWIXLZGUTO-SNVBAGLBSA-N 1 2 382.433 2.082 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000844314476 653804920 /nfs/dbraw/zinc/80/49/20/653804920.db2.gz QTWFGGYDOABYLD-QGZVFWFLSA-N 1 2 384.860 2.220 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000844314476 653804921 /nfs/dbraw/zinc/80/49/21/653804921.db2.gz QTWFGGYDOABYLD-QGZVFWFLSA-N 1 2 384.860 2.220 20 0 GEADLO CN(Cc1sc(N2CCOCC2)nc1Cl)C(C)(C)C[NH+]1CCOCC1 ZINC000895015125 653812496 /nfs/dbraw/zinc/81/24/96/653812496.db2.gz CWPKIOSTBCPMFT-UHFFFAOYSA-N 1 2 388.965 2.176 20 0 GEADLO O=C1C=C(c2ccc(Br)cc2)CN1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000844701176 653814084 /nfs/dbraw/zinc/81/40/84/653814084.db2.gz FTWLJPFSIPAMAM-MRXNPFEDSA-N 1 2 388.269 2.171 20 0 GEADLO O=C1C=C(c2ccc(Br)cc2)CN1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000844701176 653814087 /nfs/dbraw/zinc/81/40/87/653814087.db2.gz FTWLJPFSIPAMAM-MRXNPFEDSA-N 1 2 388.269 2.171 20 0 GEADLO Cn1ncc(I)c1C[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000895075320 653815996 /nfs/dbraw/zinc/81/59/96/653815996.db2.gz BSQGZLJAJIXMFQ-INIZCTEOSA-N 1 2 397.260 2.291 20 0 GEADLO Cn1ncc(I)c1C[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000895075320 653816000 /nfs/dbraw/zinc/81/60/00/653816000.db2.gz BSQGZLJAJIXMFQ-INIZCTEOSA-N 1 2 397.260 2.291 20 0 GEADLO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1=S ZINC000844744912 653816472 /nfs/dbraw/zinc/81/64/72/653816472.db2.gz TXOYORRPXOANOF-DVAUWWLVSA-N 1 2 385.603 2.390 20 0 GEADLO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000866762403 653821088 /nfs/dbraw/zinc/82/10/88/653821088.db2.gz QSJUMHZWUXQTTR-CQSZACIVSA-N 1 2 378.841 2.211 20 0 GEADLO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)[C@H]1CCn2c[nH+]cc2C1 ZINC000883027599 653823263 /nfs/dbraw/zinc/82/32/63/653823263.db2.gz HALKSKHIUQBCDK-VIFPVBQESA-N 1 2 391.225 2.178 20 0 GEADLO Cn1cc(C[NH2+]Cc2cccnc2N2CCCC2)c(I)n1 ZINC000895234009 653823957 /nfs/dbraw/zinc/82/39/57/653823957.db2.gz DJVPPTXPYOTQEY-UHFFFAOYSA-N 1 2 397.264 2.310 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)OCc2cc[nH+]c(N)c2)ccc1Br ZINC000791809011 653824953 /nfs/dbraw/zinc/82/49/53/653824953.db2.gz GFIBGCBIEPJJDU-UHFFFAOYSA-N 1 2 385.239 2.187 20 0 GEADLO CN1C(=O)NCC12CC[NH+](Cc1nc3ccccn3c1Br)CC2 ZINC000822530307 653830798 /nfs/dbraw/zinc/83/07/98/653830798.db2.gz XHSHPWRUKIZJKA-UHFFFAOYSA-N 1 2 378.274 2.086 20 0 GEADLO O=C1NCCn2c(C[NH2+][C@H]3CCc4c3cc(Br)cc4Cl)nnc21 ZINC000883304474 653835127 /nfs/dbraw/zinc/83/51/27/653835127.db2.gz XXWSZNRARDLGCA-LBPRGKRZSA-N 1 2 396.676 2.215 20 0 GEADLO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000792133916 653835614 /nfs/dbraw/zinc/83/56/14/653835614.db2.gz REYHTWUTECTTSD-MRXNPFEDSA-N 1 2 375.222 2.437 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)s1 ZINC000822676000 653836023 /nfs/dbraw/zinc/83/60/23/653836023.db2.gz OYTFCINHCYLMMQ-HNNXBMFYSA-N 1 2 388.555 2.158 20 0 GEADLO Cn1ccn2c(C[NH2+][C@@H]3CCc4c3ccc(F)c4Br)nnc2c1=O ZINC000883337088 653836224 /nfs/dbraw/zinc/83/62/24/653836224.db2.gz YWOQPMFYEQAXMT-GFCCVEGCSA-N 1 2 392.232 2.107 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883367054 653837228 /nfs/dbraw/zinc/83/72/28/653837228.db2.gz GWFKQFRCYLKBCK-JTQLQIEISA-N 1 2 381.750 2.392 20 0 GEADLO C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000895581955 653842148 /nfs/dbraw/zinc/84/21/48/653842148.db2.gz ALKQBPCBKCCGNE-LBPRGKRZSA-N 1 2 380.495 2.224 20 0 GEADLO C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000895581955 653842150 /nfs/dbraw/zinc/84/21/50/653842150.db2.gz ALKQBPCBKCCGNE-LBPRGKRZSA-N 1 2 380.495 2.224 20 0 GEADLO COc1cc(/C=C\C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc(Br)c1O ZINC000822952263 653847191 /nfs/dbraw/zinc/84/71/91/653847191.db2.gz PTTDBAHFZFWQMT-VSQXVHSFSA-N 1 2 399.285 2.013 20 0 GEADLO COc1cc(/C=C\C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc(Br)c1O ZINC000822952263 653847192 /nfs/dbraw/zinc/84/71/92/653847192.db2.gz PTTDBAHFZFWQMT-VSQXVHSFSA-N 1 2 399.285 2.013 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1F ZINC000866932626 653851406 /nfs/dbraw/zinc/85/14/06/653851406.db2.gz DDGHSIBWDPMMCO-DEOSSOPVSA-N 1 2 386.474 2.130 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1F ZINC000866932627 653851483 /nfs/dbraw/zinc/85/14/83/653851483.db2.gz DDGHSIBWDPMMCO-XMMPIXPASA-N 1 2 386.474 2.130 20 0 GEADLO C[C@]1(CS(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1(Cl)Cl ZINC000866970087 653857938 /nfs/dbraw/zinc/85/79/38/653857938.db2.gz XSUWSUGJJICIPA-MELADBBJSA-N 1 2 385.357 2.133 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000895950474 653858196 /nfs/dbraw/zinc/85/81/96/653858196.db2.gz CGTHGQYHPPMUQY-UHFFFAOYSA-N 1 2 396.232 2.068 20 0 GEADLO OC1CC[NH+](Cc2cn(Cc3ncc(Br)cc3Cl)nn2)CC1 ZINC000883991183 653859548 /nfs/dbraw/zinc/85/95/48/653859548.db2.gz TUZAPVIDIFYDDE-UHFFFAOYSA-N 1 2 386.681 2.094 20 0 GEADLO Cc1ccc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)nc1Br ZINC000793005086 653861155 /nfs/dbraw/zinc/86/11/55/653861155.db2.gz KRPHZQIBDAOYKI-UHFFFAOYSA-N 1 2 388.225 2.055 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000866995292 653862258 /nfs/dbraw/zinc/86/22/58/653862258.db2.gz DVJIDCZMOGLNOS-VOIUYBSRSA-N 1 2 384.527 2.193 20 0 GEADLO O=C(c1snc(Cl)c1Cl)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000845808107 653864274 /nfs/dbraw/zinc/86/42/74/653864274.db2.gz NWRFYQSGTFGTQN-SNVBAGLBSA-N 1 2 380.297 2.013 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000896187696 653867772 /nfs/dbraw/zinc/86/77/72/653867772.db2.gz RYMHQNYXMNMVHM-CMPLNLGQSA-N 1 2 379.448 2.324 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)OCCc1c[nH+]cn1C ZINC000793251549 653872221 /nfs/dbraw/zinc/87/22/21/653872221.db2.gz GEEHMQYGGZKAHR-VIFPVBQESA-N 1 2 386.271 2.148 20 0 GEADLO Cn1nc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1Br ZINC000823691192 653877192 /nfs/dbraw/zinc/87/71/92/653877192.db2.gz DYOTYIWNWHCPHS-UHFFFAOYSA-N 1 2 393.285 2.019 20 0 GEADLO COC(=O)N[C@H]1CC[N@H+](CN2CC[C@H](c3cccc(Br)c3)C2=O)C1 ZINC000884484183 653878428 /nfs/dbraw/zinc/87/84/28/653878428.db2.gz KXESQNNKESGCKV-LSDHHAIUSA-N 1 2 396.285 2.153 20 0 GEADLO COC(=O)N[C@H]1CC[N@@H+](CN2CC[C@H](c3cccc(Br)c3)C2=O)C1 ZINC000884484183 653878432 /nfs/dbraw/zinc/87/84/32/653878432.db2.gz KXESQNNKESGCKV-LSDHHAIUSA-N 1 2 396.285 2.153 20 0 GEADLO COC(=O)N[C@H]1CC[N@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000884484523 653878468 /nfs/dbraw/zinc/87/84/68/653878468.db2.gz UNNIFNJXOUDGSV-HNNXBMFYSA-N 1 2 394.269 2.063 20 0 GEADLO COC(=O)N[C@H]1CC[N@@H+](CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000884484523 653878469 /nfs/dbraw/zinc/87/84/69/653878469.db2.gz UNNIFNJXOUDGSV-HNNXBMFYSA-N 1 2 394.269 2.063 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000793620356 653881114 /nfs/dbraw/zinc/88/11/14/653881114.db2.gz OFVMSUGQCJRYCY-WMLDXEAASA-N 1 2 387.933 2.207 20 0 GEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000793620356 653881116 /nfs/dbraw/zinc/88/11/16/653881116.db2.gz OFVMSUGQCJRYCY-WMLDXEAASA-N 1 2 387.933 2.207 20 0 GEADLO OCCOCC1(O)CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000884722137 653886217 /nfs/dbraw/zinc/88/62/17/653886217.db2.gz JQKSJPRSGTUSHT-UHFFFAOYSA-N 1 2 399.260 2.477 20 0 GEADLO OCCOCC1(O)CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000884722292 653886292 /nfs/dbraw/zinc/88/62/92/653886292.db2.gz PVKQKUSVCIXLIF-UHFFFAOYSA-N 1 2 399.260 2.477 20 0 GEADLO Cc1ccc([C@@H](C)NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)s1 ZINC000793851658 653886737 /nfs/dbraw/zinc/88/67/37/653886737.db2.gz SPDFYNDGQWJKON-CYBMUJFWSA-N 1 2 377.535 2.470 20 0 GEADLO Cc1ccc([C@@H](C)NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)s1 ZINC000793851658 653886741 /nfs/dbraw/zinc/88/67/41/653886741.db2.gz SPDFYNDGQWJKON-CYBMUJFWSA-N 1 2 377.535 2.470 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2scnc2Br)cn1 ZINC000846096437 653887055 /nfs/dbraw/zinc/88/70/55/653887055.db2.gz XNOPGQZOYIGTHO-UHFFFAOYSA-N 1 2 395.286 2.178 20 0 GEADLO Ic1cnn2c1CN(c1cc(NCC3CC3)[nH+]cn1)CC2 ZINC000896605548 653887692 /nfs/dbraw/zinc/88/76/92/653887692.db2.gz XKMDWCOEWBSGPA-UHFFFAOYSA-N 1 2 396.236 2.120 20 0 GEADLO Ic1cnn2c1CN(c1cc(NCC3CC3)nc[nH+]1)CC2 ZINC000896605548 653887693 /nfs/dbraw/zinc/88/76/93/653887693.db2.gz XKMDWCOEWBSGPA-UHFFFAOYSA-N 1 2 396.236 2.120 20 0 GEADLO CCn1c[nH+]c2c1CCN(c1ncc(OC)cc1I)C2 ZINC000896652545 653889656 /nfs/dbraw/zinc/88/96/56/653889656.db2.gz AZFWHVXWPFYKAD-UHFFFAOYSA-N 1 2 384.221 2.474 20 0 GEADLO Cc1cnc(Cl)c(S(=O)(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000884976029 653902542 /nfs/dbraw/zinc/90/25/42/653902542.db2.gz KLGGXQPZNUZSJS-QLFBSQMISA-N 1 2 387.933 2.306 20 0 GEADLO Cc1cnc(Cl)c(S(=O)(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000884976029 653902544 /nfs/dbraw/zinc/90/25/44/653902544.db2.gz KLGGXQPZNUZSJS-QLFBSQMISA-N 1 2 387.933 2.306 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1cc(Br)ccn1 ZINC000794334298 653903875 /nfs/dbraw/zinc/90/38/75/653903875.db2.gz WMOTZXPSQTUUQD-UHFFFAOYSA-N 1 2 395.261 2.017 20 0 GEADLO CCn1c(C[N@@H+](CC)CCC(=O)NC)nc(Br)c1Br ZINC000897709169 653934557 /nfs/dbraw/zinc/93/45/57/653934557.db2.gz KXQXWWCBOZJQRY-UHFFFAOYSA-N 1 2 396.127 2.386 20 0 GEADLO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC000897052088 653904883 /nfs/dbraw/zinc/90/48/83/653904883.db2.gz HQYCMHLMGCYJQY-VIFPVBQESA-N 1 2 390.278 2.180 20 0 GEADLO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc3c(cc(F)cc3Br)[nH]2)C1 ZINC000897052088 653904889 /nfs/dbraw/zinc/90/48/89/653904889.db2.gz HQYCMHLMGCYJQY-VIFPVBQESA-N 1 2 390.278 2.180 20 0 GEADLO CCN(CC)S(=O)(=O)N1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000846767393 653909252 /nfs/dbraw/zinc/90/92/52/653909252.db2.gz IDKXTVPGOZTTOR-UHFFFAOYSA-N 1 2 375.485 2.102 20 0 GEADLO Cn1nc(Br)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824838609 653910051 /nfs/dbraw/zinc/91/00/51/653910051.db2.gz PTWHRTXBVGMQNI-ZJUUUORDSA-N 1 2 395.223 2.025 20 0 GEADLO Cn1nc(Br)cc1C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824838609 653910053 /nfs/dbraw/zinc/91/00/53/653910053.db2.gz PTWHRTXBVGMQNI-ZJUUUORDSA-N 1 2 395.223 2.025 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000824951709 653913090 /nfs/dbraw/zinc/91/30/90/653913090.db2.gz YZNVEVJMRLLLMO-RYUDHWBXSA-N 1 2 385.306 2.202 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000824951709 653913094 /nfs/dbraw/zinc/91/30/94/653913094.db2.gz YZNVEVJMRLLLMO-RYUDHWBXSA-N 1 2 385.306 2.202 20 0 GEADLO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1ncc(I)s1 ZINC000897343186 653916966 /nfs/dbraw/zinc/91/69/66/653916966.db2.gz MCIYOJABUNJTEN-SNVBAGLBSA-N 1 2 379.267 2.142 20 0 GEADLO CN(Cc1ccns1)C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000897348461 653917284 /nfs/dbraw/zinc/91/72/84/653917284.db2.gz GBQIYBCFANRJRE-OAHLLOKOSA-N 1 2 380.901 2.174 20 0 GEADLO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000897353049 653917697 /nfs/dbraw/zinc/91/76/97/653917697.db2.gz XTJROLXHZFMODR-KGLIPLIRSA-N 1 2 381.263 2.051 20 0 GEADLO O=C(c1ccnc(Br)c1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825100089 653917798 /nfs/dbraw/zinc/91/77/98/653917798.db2.gz UBKDLXMXMYYVDT-UHFFFAOYSA-N 1 2 375.270 2.240 20 0 GEADLO COc1cc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Br ZINC000847176245 653919242 /nfs/dbraw/zinc/91/92/42/653919242.db2.gz ANQBEBSSJZRYOS-SDDRHHMPSA-N 1 2 386.290 2.080 20 0 GEADLO COc1cc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Br ZINC000847176245 653919245 /nfs/dbraw/zinc/91/92/45/653919245.db2.gz ANQBEBSSJZRYOS-SDDRHHMPSA-N 1 2 386.290 2.080 20 0 GEADLO COC[C@H]1CCC[N@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000825321734 653924894 /nfs/dbraw/zinc/92/48/94/653924894.db2.gz MKCMGKBMENTDQD-GJZGRUSLSA-N 1 2 389.949 2.453 20 0 GEADLO COC[C@H]1CCC[N@@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CC1 ZINC000825321734 653924898 /nfs/dbraw/zinc/92/48/98/653924898.db2.gz MKCMGKBMENTDQD-GJZGRUSLSA-N 1 2 389.949 2.453 20 0 GEADLO CNC(=S)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000795034400 653927065 /nfs/dbraw/zinc/92/70/65/653927065.db2.gz MDPLLJIDBRUMLW-ZDUSSCGKSA-N 1 2 389.306 2.350 20 0 GEADLO CNC(=S)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000795034400 653927069 /nfs/dbraw/zinc/92/70/69/653927069.db2.gz MDPLLJIDBRUMLW-ZDUSSCGKSA-N 1 2 389.306 2.350 20 0 GEADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000867403969 653927784 /nfs/dbraw/zinc/92/77/84/653927784.db2.gz AIUDSVVEIMTIML-HNNXBMFYSA-N 1 2 380.242 2.276 20 0 GEADLO Cc1c(Cl)c(C[NH+]2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)nn1C ZINC000897572467 653928034 /nfs/dbraw/zinc/92/80/34/653928034.db2.gz ZCZKGHORMPJELW-UHFFFAOYSA-N 1 2 382.917 2.409 20 0 GEADLO C[C@H](NC(=O)c1cnc(Cl)c(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000847447768 653928990 /nfs/dbraw/zinc/92/89/90/653928990.db2.gz UGIMRNCKZNTTQT-UWVGGRQHSA-N 1 2 376.682 2.337 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)s1 ZINC000897614061 653930573 /nfs/dbraw/zinc/93/05/73/653930573.db2.gz MIMIDOSFWWUJIX-SECBINFHSA-N 1 2 392.428 2.194 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)s1 ZINC000897614061 653930575 /nfs/dbraw/zinc/93/05/75/653930575.db2.gz MIMIDOSFWWUJIX-SECBINFHSA-N 1 2 392.428 2.194 20 0 GEADLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=S)NCC(=O)NC(C)C)CC1 ZINC000795111468 653931761 /nfs/dbraw/zinc/93/17/61/653931761.db2.gz YOKXWWXLXWRWMW-UHFFFAOYSA-N 1 2 382.961 2.165 20 0 GEADLO Cc1ccc(Br)c2cc(C(=O)N[C@H](CO)c3c[nH+]cn3C)[nH]c21 ZINC000825530030 653932680 /nfs/dbraw/zinc/93/26/80/653932680.db2.gz BDCWRGBWWPTKIY-CYBMUJFWSA-N 1 2 377.242 2.436 20 0 GEADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H](O)c2cccc(Br)c2)[nH]n1 ZINC000897690385 653933422 /nfs/dbraw/zinc/93/34/22/653933422.db2.gz RYVSRQVVFFDMFW-HZPDHXFCSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H](O)c2cccc(Br)c2)[nH]n1 ZINC000897690385 653933423 /nfs/dbraw/zinc/93/34/23/653933423.db2.gz RYVSRQVVFFDMFW-HZPDHXFCSA-N 1 2 393.285 2.402 20 0 GEADLO CCn1c(C[N@H+](CC)CCC(=O)NC)nc(Br)c1Br ZINC000897709169 653934554 /nfs/dbraw/zinc/93/45/54/653934554.db2.gz KXQXWWCBOZJQRY-UHFFFAOYSA-N 1 2 396.127 2.386 20 0 GEADLO O=C(c1nc(Cl)sc1Cl)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000847572950 653935283 /nfs/dbraw/zinc/93/52/83/653935283.db2.gz ZQGDYFOFCFQMSY-JTQLQIEISA-N 1 2 380.297 2.013 20 0 GEADLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1nc(F)ccc1Br ZINC000847581624 653935743 /nfs/dbraw/zinc/93/57/43/653935743.db2.gz LAMDQEXOOJBNKD-STQMWFEESA-N 1 2 386.265 2.356 20 0 GEADLO CCOC(=O)c1ccc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)o1 ZINC000897977745 653947031 /nfs/dbraw/zinc/94/70/31/653947031.db2.gz JGQLEBCZXFFIKG-GFCCVEGCSA-N 1 2 394.225 2.267 20 0 GEADLO COC(=O)c1cc(C2C[NH+](Cc3cc(Br)cc4c3OCC4)C2)[nH]n1 ZINC000898004789 653949506 /nfs/dbraw/zinc/94/95/06/653949506.db2.gz LKSKDBSVLVRVQS-UHFFFAOYSA-N 1 2 392.253 2.493 20 0 GEADLO Cn1ncc(Br)c1C[NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000898290693 653961603 /nfs/dbraw/zinc/96/16/03/653961603.db2.gz WLERBCUXEVEZRT-UHFFFAOYSA-N 1 2 399.314 2.377 20 0 GEADLO CN(C[C@@H]1CCC[N@H+](Cn2c3ccccc3n(C)c2=S)C1)S(C)(=O)=O ZINC000795655952 653962390 /nfs/dbraw/zinc/96/23/90/653962390.db2.gz SRYDEKJKRFVPOQ-AWEZNQCLSA-N 1 2 382.555 2.270 20 0 GEADLO CN(C[C@@H]1CCC[N@@H+](Cn2c3ccccc3n(C)c2=S)C1)S(C)(=O)=O ZINC000795655952 653962392 /nfs/dbraw/zinc/96/23/92/653962392.db2.gz SRYDEKJKRFVPOQ-AWEZNQCLSA-N 1 2 382.555 2.270 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CN1Cc2ccc(Br)cc2C1=O ZINC000795687331 653963101 /nfs/dbraw/zinc/96/31/01/653963101.db2.gz BOTGNXABEQWFLA-CZUORRHYSA-N 1 2 394.313 2.157 20 0 GEADLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CN1Cc2ccc(Br)cc2C1=O ZINC000795687331 653963105 /nfs/dbraw/zinc/96/31/05/653963105.db2.gz BOTGNXABEQWFLA-CZUORRHYSA-N 1 2 394.313 2.157 20 0 GEADLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CN1Cc2ccc(Br)cc2C1=O ZINC000795687331 653963108 /nfs/dbraw/zinc/96/31/08/653963108.db2.gz BOTGNXABEQWFLA-CZUORRHYSA-N 1 2 394.313 2.157 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000885948929 653964430 /nfs/dbraw/zinc/96/44/30/653964430.db2.gz JMDKWFYKHVOBGM-WFASDCNBSA-N 1 2 376.931 2.134 20 0 GEADLO CO[C@H](C)C[N@H+](C)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000795750250 653964987 /nfs/dbraw/zinc/96/49/87/653964987.db2.gz KYGHKXWKPVOZFM-PXAZEXFGSA-N 1 2 383.286 2.390 20 0 GEADLO CO[C@H](C)C[N@@H+](C)CN1C(=O)C[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000795750250 653964994 /nfs/dbraw/zinc/96/49/94/653964994.db2.gz KYGHKXWKPVOZFM-PXAZEXFGSA-N 1 2 383.286 2.390 20 0 GEADLO OC[C@H](NCc1c[nH+]c2n1CCC2)c1ccccc1I ZINC000898511989 653974673 /nfs/dbraw/zinc/97/46/73/653974673.db2.gz GVSHJTUBKMHCNZ-AWEZNQCLSA-N 1 2 383.233 2.257 20 0 GEADLO Cc1n[nH]c(C)c1C[NH+]1CCC(n2nncc2I)CC1 ZINC000827285024 653984553 /nfs/dbraw/zinc/98/45/53/653984553.db2.gz XKMRTWYNTFJSAS-UHFFFAOYSA-N 1 2 386.241 2.060 20 0 GEADLO COC(=O)[C@@](C)(NC(=O)CCc1[nH]cc[nH+]1)c1cccc(Br)c1 ZINC000886434628 653985448 /nfs/dbraw/zinc/98/54/48/653985448.db2.gz LAJRFHVVUMOOTA-INIZCTEOSA-N 1 2 380.242 2.309 20 0 GEADLO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848515939 653985997 /nfs/dbraw/zinc/98/59/97/653985997.db2.gz VNYPIERNMVBAES-GFCCVEGCSA-N 1 2 394.324 2.264 20 0 GEADLO CC[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000886468516 653988255 /nfs/dbraw/zinc/98/82/55/653988255.db2.gz DWXMTAXZWGZBRB-LLVKDONJSA-N 1 2 375.878 2.233 20 0 GEADLO CC[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000886468516 653988256 /nfs/dbraw/zinc/98/82/56/653988256.db2.gz DWXMTAXZWGZBRB-LLVKDONJSA-N 1 2 375.878 2.233 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(C(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000827410983 653990459 /nfs/dbraw/zinc/99/04/59/653990459.db2.gz DDYDYRFKCRCVSC-LBPRGKRZSA-N 1 2 391.256 2.456 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)n1 ZINC000848678007 653990924 /nfs/dbraw/zinc/99/09/24/653990924.db2.gz HHUOUUMXAAGGHB-OAHLLOKOSA-N 1 2 386.269 2.327 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898886963 653990978 /nfs/dbraw/zinc/99/09/78/653990978.db2.gz HKGYHXGDVNKIIQ-RISCZKNCSA-N 1 2 394.269 2.241 20 0 GEADLO Cc1cc(I)cc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)c1C ZINC000898887298 653991044 /nfs/dbraw/zinc/99/10/44/653991044.db2.gz KMWJMVFRDCCUIA-ZDUSSCGKSA-N 1 2 399.232 2.105 20 0 GEADLO CC(C)(CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)n1cc[nH+]c1 ZINC000898899367 653991410 /nfs/dbraw/zinc/99/14/10/653991410.db2.gz JKWJEIWEOSYGHW-UHFFFAOYSA-N 1 2 375.372 2.342 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000827435689 653991591 /nfs/dbraw/zinc/99/15/91/653991591.db2.gz SMTORDLHMLTSDO-KRWDZBQOSA-N 1 2 386.323 2.265 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)COc3ccc(Br)cc3)CC2)CC1 ZINC000827473294 653993703 /nfs/dbraw/zinc/99/37/03/653993703.db2.gz HTEDSBGHQXYMPU-UHFFFAOYSA-N 1 2 396.329 2.066 20 0 GEADLO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899054876 653997256 /nfs/dbraw/zinc/99/72/56/653997256.db2.gz COBMUTOHTFEEQS-LBPRGKRZSA-N 1 2 389.279 2.326 20 0 GEADLO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899054876 653997259 /nfs/dbraw/zinc/99/72/59/653997259.db2.gz COBMUTOHTFEEQS-LBPRGKRZSA-N 1 2 389.279 2.326 20 0 GEADLO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899054875 653997278 /nfs/dbraw/zinc/99/72/78/653997278.db2.gz COBMUTOHTFEEQS-GFCCVEGCSA-N 1 2 389.279 2.326 20 0 GEADLO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899054875 653997281 /nfs/dbraw/zinc/99/72/81/653997281.db2.gz COBMUTOHTFEEQS-GFCCVEGCSA-N 1 2 389.279 2.326 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1ccc(Cl)cc1Br ZINC000899059876 653997595 /nfs/dbraw/zinc/99/75/95/653997595.db2.gz VDSOSEVYNYGTGB-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1ccc(Cl)cc1Br ZINC000899059876 653997597 /nfs/dbraw/zinc/99/75/97/653997597.db2.gz VDSOSEVYNYGTGB-UHFFFAOYSA-N 1 2 389.677 2.281 20 0 GEADLO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)c2ncnn21 ZINC000849323481 654012804 /nfs/dbraw/zinc/01/28/04/654012804.db2.gz YMJXWFRYGAUOJV-LERXQTSPSA-N 1 2 376.258 2.442 20 0 GEADLO COc1ccc([C@@H]2CN(C(=O)c3ccc(Br)[nH]c3=O)CC[NH2+]2)cc1 ZINC000827943932 654013933 /nfs/dbraw/zinc/01/39/33/654013933.db2.gz ROUJEJVGFLPMRM-AWEZNQCLSA-N 1 2 392.253 2.345 20 0 GEADLO O=C(N[C@@H]1COc2cccc(Br)c2C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000828027028 654016764 /nfs/dbraw/zinc/01/67/64/654016764.db2.gz LODTXRFYFCWMBV-NEPJUHHUSA-N 1 2 376.254 2.328 20 0 GEADLO O=C(N[C@H]1COc2cccc(Br)c2C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000828027191 654017030 /nfs/dbraw/zinc/01/70/30/654017030.db2.gz OABZAPJIJAOMRO-VXGBXAGGSA-N 1 2 376.254 2.328 20 0 GEADLO Cn1cc(NC(=S)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cn1 ZINC000899498591 654018732 /nfs/dbraw/zinc/01/87/32/654018732.db2.gz JDZHXGAEXLJCCZ-CVEARBPZSA-N 1 2 379.917 2.432 20 0 GEADLO Cn1cc(NC(=S)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000899498591 654018739 /nfs/dbraw/zinc/01/87/39/654018739.db2.gz JDZHXGAEXLJCCZ-CVEARBPZSA-N 1 2 379.917 2.432 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000868150922 654020712 /nfs/dbraw/zinc/02/07/12/654020712.db2.gz OOZFBNZJRWRWQU-YYZONTRBSA-N 1 2 380.286 2.300 20 0 GEADLO CCCOc1ccc(Br)cc1S(=O)(=O)NCc1c[nH+]cn1C ZINC000849394015 654022439 /nfs/dbraw/zinc/02/24/39/654022439.db2.gz JVRIRAJZIWOEGA-UHFFFAOYSA-N 1 2 388.287 2.450 20 0 GEADLO COC(=O)c1cc(NC(=O)/C=C\C[NH+]2CCOCC2)c(C)cc1Br ZINC000868343136 654031857 /nfs/dbraw/zinc/03/18/57/654031857.db2.gz GREABPADFXXDGU-ARJAWSKDSA-N 1 2 397.269 2.371 20 0 GEADLO C[C@]1(CCNC(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1(Cl)Cl ZINC000868675405 654049647 /nfs/dbraw/zinc/04/96/47/654049647.db2.gz LLQCHFMRSOJRMZ-INIZCTEOSA-N 1 2 386.327 2.320 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000900209139 654053541 /nfs/dbraw/zinc/05/35/41/654053541.db2.gz PSZNDNYSSRKIAV-LBPRGKRZSA-N 1 2 380.286 2.310 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)c1cnc(Cl)c(F)c1)[NH+]1CCOCC1 ZINC000798225986 654055357 /nfs/dbraw/zinc/05/53/57/654055357.db2.gz ULYFZHFSTKLKFR-OAHLLOKOSA-N 1 2 393.912 2.289 20 0 GEADLO O=C(c1cc(=O)[nH]cc1Br)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000828981182 654056862 /nfs/dbraw/zinc/05/68/62/654056862.db2.gz VYPHZKPLGGYWQP-CQSZACIVSA-N 1 2 380.217 2.476 20 0 GEADLO CCON(C)C(=O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000850338897 654071425 /nfs/dbraw/zinc/07/14/25/654071425.db2.gz LPNZLSOYPHPCNV-UHFFFAOYSA-N 1 2 382.629 2.444 20 0 GEADLO Cc1nc(SCC(C)C)sc1CC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900805543 654081523 /nfs/dbraw/zinc/08/15/23/654081523.db2.gz QGHPANWNFDZPQJ-ZFWWWQNUSA-N 1 2 384.615 2.493 20 0 GEADLO Cc1nc(SCC(C)C)sc1CC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900805543 654081527 /nfs/dbraw/zinc/08/15/27/654081527.db2.gz QGHPANWNFDZPQJ-ZFWWWQNUSA-N 1 2 384.615 2.493 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(F)(F)c2ccccc2Br)[C@@H](C)C1 ZINC000829910119 654083932 /nfs/dbraw/zinc/08/39/32/654083932.db2.gz CCNPWZYIENFZSU-NWDGAFQWSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(C(=O)C(F)(F)c2ccccc2Br)[C@@H](C)C1 ZINC000829910119 654083934 /nfs/dbraw/zinc/08/39/34/654083934.db2.gz CCNPWZYIENFZSU-NWDGAFQWSA-N 1 2 391.256 2.454 20 0 GEADLO Cn1ncc(Br)c1COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000869412794 654094807 /nfs/dbraw/zinc/09/48/07/654094807.db2.gz SDXDQQBERMIKQL-INIZCTEOSA-N 1 2 394.269 2.127 20 0 GEADLO Cn1ncc(Br)c1COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000869412794 654094809 /nfs/dbraw/zinc/09/48/09/654094809.db2.gz SDXDQQBERMIKQL-INIZCTEOSA-N 1 2 394.269 2.127 20 0 GEADLO C[C@H]1CCN(C(=O)c2cc3ncc(Br)cn3n2)C[C@H]1n1cc[nH+]c1 ZINC000901040019 654104414 /nfs/dbraw/zinc/10/44/14/654104414.db2.gz IWGWFMZBTRAWIN-SMDDNHRTSA-N 1 2 389.257 2.412 20 0 GEADLO CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(Br)cc1 ZINC000830229151 654107235 /nfs/dbraw/zinc/10/72/35/654107235.db2.gz UIGFGYVZUYFATN-CVEARBPZSA-N 1 2 383.286 2.292 20 0 GEADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H](O)c1cccc(Br)c1 ZINC000901187299 654114116 /nfs/dbraw/zinc/11/41/16/654114116.db2.gz BGDGZFLFIOAQML-HOCLYGCPSA-N 1 2 376.254 2.273 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000830487025 654120786 /nfs/dbraw/zinc/12/07/86/654120786.db2.gz LQZYEVGVZOJQTH-GFCCVEGCSA-N 1 2 385.258 2.493 20 0 GEADLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000830487025 654120790 /nfs/dbraw/zinc/12/07/90/654120790.db2.gz LQZYEVGVZOJQTH-GFCCVEGCSA-N 1 2 385.258 2.493 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1csc(I)n1 ZINC000830490788 654121362 /nfs/dbraw/zinc/12/13/62/654121362.db2.gz AAOPVTHMJXUONG-UHFFFAOYSA-N 1 2 376.223 2.107 20 0 GEADLO CC1CC[NH+]([C@@H](CNC(=O)[C@@]2(F)CCS(=O)(=O)C2)c2cccs2)CC1 ZINC000901457196 654126237 /nfs/dbraw/zinc/12/62/37/654126237.db2.gz UAEFYBWJGMYEQQ-WMLDXEAASA-N 1 2 388.530 2.164 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)CCCS(=O)(=O)N2CCCC2)n1 ZINC000917630436 654129389 /nfs/dbraw/zinc/12/93/89/654129389.db2.gz CFYHQLZOYOIQPC-UHFFFAOYSA-N 1 2 388.559 2.129 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)COc2ccc(Br)cc2F)CCO1 ZINC000800100173 654129285 /nfs/dbraw/zinc/12/92/85/654129285.db2.gz NVVFXWSGNZOVDZ-LLVKDONJSA-N 1 2 376.222 2.231 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)COc2ccc(Br)cc2F)CCO1 ZINC000800100173 654129288 /nfs/dbraw/zinc/12/92/88/654129288.db2.gz NVVFXWSGNZOVDZ-LLVKDONJSA-N 1 2 376.222 2.231 20 0 GEADLO O=C([O-])[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000901619732 654135136 /nfs/dbraw/zinc/13/51/36/654135136.db2.gz WVEBQGDJEHZVQY-HOTGVXAUSA-N 1 2 383.286 2.418 20 0 GEADLO O=C(CCc1ccc(Cl)cc1Cl)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870072887 654142691 /nfs/dbraw/zinc/14/26/91/654142691.db2.gz LSRZKAAUQQRKRB-INIZCTEOSA-N 1 2 387.307 2.486 20 0 GEADLO COc1ccc([C@H]2CN(C(=O)CSc3n[nH]c(=S)s3)CC[NH2+]2)cc1 ZINC000870142902 654146535 /nfs/dbraw/zinc/14/65/35/654146535.db2.gz OPEGQZSEBHBQLU-GFCCVEGCSA-N 1 2 382.536 2.101 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CCO1 ZINC000800703233 654156376 /nfs/dbraw/zinc/15/63/76/654156376.db2.gz QGBATDCOSXTSIC-IUODEOHRSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CCO1 ZINC000800703233 654156382 /nfs/dbraw/zinc/15/63/82/654156382.db2.gz QGBATDCOSXTSIC-IUODEOHRSA-N 1 2 398.301 2.293 20 0 GEADLO C[C@H]([NH2+]C1CC[NH+](CC(=O)[O-])CC1)c1cc2c(cc1Br)OCCO2 ZINC000902151703 654165963 /nfs/dbraw/zinc/16/59/63/654165963.db2.gz NPKFATOUYGDXSO-NSHDSACASA-N 1 2 399.285 2.420 20 0 GEADLO O=S1(=O)N=C(CN2CC[NH+](CCc3cccs3)CC2)c2ccccc21 ZINC000851734899 654173430 /nfs/dbraw/zinc/17/34/30/654173430.db2.gz AIOPPAIMOWNPQJ-UHFFFAOYSA-N 1 2 375.519 2.100 20 0 GEADLO O=C1NCCC2(CC[NH+](CN3C(=S)N=NC3Cc3cccs3)CC2)O1 ZINC000902505489 654180355 /nfs/dbraw/zinc/18/03/55/654180355.db2.gz SXXOIDUEEIMARA-UHFFFAOYSA-N 1 2 379.511 2.141 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920257678 654206421 /nfs/dbraw/zinc/20/64/21/654206421.db2.gz HCCRWVOQKHWABE-NSHDSACASA-N 1 2 388.295 2.141 20 0 GEADLO Cc1[nH+]c[nH]c1CC(=O)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000890200534 654206783 /nfs/dbraw/zinc/20/67/83/654206783.db2.gz SFSZJJPIYCBPJM-UHFFFAOYSA-N 1 2 392.179 2.281 20 0 GEADLO C[C@@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000851952568 654207702 /nfs/dbraw/zinc/20/77/02/654207702.db2.gz NEUTXQOTYAZXHO-JPQMIFPKSA-N 1 2 397.488 2.105 20 0 GEADLO C[C@@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)[N@H+]1CCc2sccc2C1 ZINC000851952568 654207708 /nfs/dbraw/zinc/20/77/08/654207708.db2.gz NEUTXQOTYAZXHO-JPQMIFPKSA-N 1 2 397.488 2.105 20 0 GEADLO C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000870943785 654211616 /nfs/dbraw/zinc/21/16/16/654211616.db2.gz VMGLTPZPIIMCHO-KBXCAEBGSA-N 1 2 392.297 2.318 20 0 GEADLO C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000870947001 654213062 /nfs/dbraw/zinc/21/30/62/654213062.db2.gz NDPIOQIHCOQMND-KBXCAEBGSA-N 1 2 392.297 2.318 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920631605 654217770 /nfs/dbraw/zinc/21/77/70/654217770.db2.gz IWASBNTXMYDDHJ-UHFFFAOYSA-N 1 2 381.479 2.195 20 0 GEADLO O=C(NCC[C@@H]1CNC(=O)C1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000831963310 654220129 /nfs/dbraw/zinc/22/01/29/654220129.db2.gz YLJIPPBWGNZVBU-GUYCJALGSA-N 1 2 394.313 2.228 20 0 GEADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000802239529 654223673 /nfs/dbraw/zinc/22/36/73/654223673.db2.gz LVWWDFDVPUDEOH-WFASDCNBSA-N 1 2 399.260 2.389 20 0 GEADLO O=C(O[C@H]1CC[N@H+](CCF)C1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000802239529 654223677 /nfs/dbraw/zinc/22/36/77/654223677.db2.gz LVWWDFDVPUDEOH-WFASDCNBSA-N 1 2 399.260 2.389 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(CN(C)C)cs1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903227979 654229479 /nfs/dbraw/zinc/22/94/79/654229479.db2.gz XQRARIDRLMAIPI-CYBMUJFWSA-N 1 2 382.555 2.306 20 0 GEADLO C[C@](CO)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc(Br)c1 ZINC000890630423 654233208 /nfs/dbraw/zinc/23/32/08/654233208.db2.gz NJDBDIPXGKLZKK-YVEFUNNKSA-N 1 2 378.270 2.232 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)n1 ZINC000921091975 654235227 /nfs/dbraw/zinc/23/52/27/654235227.db2.gz AEGSLJPPGLHQFO-UHFFFAOYSA-N 1 2 395.428 2.424 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc3c(c2)CCCC3=O)n1 ZINC000921093162 654235679 /nfs/dbraw/zinc/23/56/79/654235679.db2.gz LYBYWQAFUVYMQE-UHFFFAOYSA-N 1 2 379.507 2.202 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc3nc(Cl)cnc3c2)n1 ZINC000921104203 654236121 /nfs/dbraw/zinc/23/61/21/654236121.db2.gz IPXAUWVZDXQHGN-UHFFFAOYSA-N 1 2 397.913 2.280 20 0 GEADLO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1=O ZINC000903387405 654237700 /nfs/dbraw/zinc/23/77/00/654237700.db2.gz FJDBOLRSPPVBHJ-NOZJJQNGSA-N 1 2 394.324 2.302 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)NCC(C)(C)CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000921175041 654238114 /nfs/dbraw/zinc/23/81/14/654238114.db2.gz ULICUEUMYQYNHS-OAHLLOKOSA-N 1 2 389.949 2.313 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)cc1OC ZINC000852432357 654239143 /nfs/dbraw/zinc/23/91/43/654239143.db2.gz MNEYRKAWGDYINY-LBPRGKRZSA-N 1 2 385.258 2.493 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CC[C@H](N3CCOC3=O)C2)cc1OC ZINC000852432357 654239147 /nfs/dbraw/zinc/23/91/47/654239147.db2.gz MNEYRKAWGDYINY-LBPRGKRZSA-N 1 2 385.258 2.493 20 0 GEADLO COC(=O)N(C)CC[N@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000852569765 654247986 /nfs/dbraw/zinc/24/79/86/654247986.db2.gz DUNVBEDTPNSJHH-UHFFFAOYSA-N 1 2 376.226 2.157 20 0 GEADLO COC(=O)N(C)CC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000852569765 654247989 /nfs/dbraw/zinc/24/79/89/654247989.db2.gz DUNVBEDTPNSJHH-UHFFFAOYSA-N 1 2 376.226 2.157 20 0 GEADLO C[NH+](C)C1(C(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CCC1 ZINC000803454482 654280234 /nfs/dbraw/zinc/28/02/34/654280234.db2.gz OVJOGKMQWMCUPQ-UHFFFAOYSA-N 1 2 378.416 2.209 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832671276 654285633 /nfs/dbraw/zinc/28/56/33/654285633.db2.gz CEHKVVIRBQNVHS-OAHLLOKOSA-N 1 2 395.301 2.403 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832671276 654285640 /nfs/dbraw/zinc/28/56/40/654285640.db2.gz CEHKVVIRBQNVHS-OAHLLOKOSA-N 1 2 395.301 2.403 20 0 GEADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832679291 654286868 /nfs/dbraw/zinc/28/68/68/654286868.db2.gz DDFIQYCABXSSIB-ZWNOBZJWSA-N 1 2 395.305 2.009 20 0 GEADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832679291 654286869 /nfs/dbraw/zinc/28/68/69/654286869.db2.gz DDFIQYCABXSSIB-ZWNOBZJWSA-N 1 2 395.305 2.009 20 0 GEADLO CNC(=O)Cc1nc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)cs1 ZINC000832680973 654287263 /nfs/dbraw/zinc/28/72/63/654287263.db2.gz YDOOJLWHPVCTDY-CQSZACIVSA-N 1 2 398.326 2.360 20 0 GEADLO CNC(=O)Cc1nc(C[N@@H+](C)C[C@@H](O)c2ccccc2Br)cs1 ZINC000832680973 654287268 /nfs/dbraw/zinc/28/72/68/654287268.db2.gz YDOOJLWHPVCTDY-CQSZACIVSA-N 1 2 398.326 2.360 20 0 GEADLO COc1cc(N)c(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000803951831 654297973 /nfs/dbraw/zinc/29/79/73/654297973.db2.gz PFVYUWUTJHSIOM-PHIMTYICSA-N 1 2 385.258 2.060 20 0 GEADLO COc1cc(N)c(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000803951831 654297975 /nfs/dbraw/zinc/29/79/75/654297975.db2.gz PFVYUWUTJHSIOM-PHIMTYICSA-N 1 2 385.258 2.060 20 0 GEADLO C[N@H+](C[C@@H]1COCCO1)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000853560759 654304106 /nfs/dbraw/zinc/30/41/06/654304106.db2.gz YFDUQAXTEJIFTE-CVEARBPZSA-N 1 2 383.286 2.070 20 0 GEADLO C[N@@H+](C[C@@H]1COCCO1)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000853560759 654304112 /nfs/dbraw/zinc/30/41/12/654304112.db2.gz YFDUQAXTEJIFTE-CVEARBPZSA-N 1 2 383.286 2.070 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(Br)cc2F)[C@H](C)CO1 ZINC000853718285 654317738 /nfs/dbraw/zinc/31/77/38/654317738.db2.gz DDUZJBMXGSWASF-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(Br)cc2F)[C@H](C)CO1 ZINC000853718285 654317743 /nfs/dbraw/zinc/31/77/43/654317743.db2.gz DDUZJBMXGSWASF-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO O=C1CC2(CCOCC2)[N@H+](Cc2nc3ccc(Br)cc3[nH]2)CCN1 ZINC000872284007 654321280 /nfs/dbraw/zinc/32/12/80/654321280.db2.gz NQCXRMOCNQBRIN-UHFFFAOYSA-N 1 2 393.285 2.197 20 0 GEADLO O=C1CC2(CCOCC2)[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)CCN1 ZINC000872284007 654321285 /nfs/dbraw/zinc/32/12/85/654321285.db2.gz NQCXRMOCNQBRIN-UHFFFAOYSA-N 1 2 393.285 2.197 20 0 GEADLO CCn1c(C[NH2+][C@H]2CCCN(C)C2=O)nc(Br)c1Br ZINC000921814879 654326390 /nfs/dbraw/zinc/32/63/90/654326390.db2.gz WZGHCVYRAUCYLP-QMMMGPOBSA-N 1 2 394.111 2.138 20 0 GEADLO Brc1cnn2c1CN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC000853890568 654328888 /nfs/dbraw/zinc/32/88/88/654328888.db2.gz MZUZFZWLBKKNPH-UHFFFAOYSA-N 1 2 381.303 2.009 20 0 GEADLO Brc1cnn2c1CN(c1cc(N3CCSCC3)nc[nH+]1)CC2 ZINC000853890568 654328893 /nfs/dbraw/zinc/32/88/93/654328893.db2.gz MZUZFZWLBKKNPH-UHFFFAOYSA-N 1 2 381.303 2.009 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N1CCCC[C@@H]1c1ncc(Br)cn1 ZINC000905151171 654335018 /nfs/dbraw/zinc/33/50/18/654335018.db2.gz IIVZMULBODRZAY-CYBMUJFWSA-N 1 2 379.262 2.372 20 0 GEADLO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1nc(C)c(Br)s1 ZINC000921864336 654335743 /nfs/dbraw/zinc/33/57/43/654335743.db2.gz SOFWYEPESMIAGG-VIFPVBQESA-N 1 2 382.349 2.445 20 0 GEADLO O=C(NCC[C@H]1CCC(F)(F)C1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000892259413 654337372 /nfs/dbraw/zinc/33/73/72/654337372.db2.gz WBYJRXDXBZVPCA-ZBFHGGJFSA-N 1 2 377.501 2.319 20 0 GEADLO Cc1nc(Cl)ccc1S(=O)(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000805031716 654338052 /nfs/dbraw/zinc/33/80/52/654338052.db2.gz OFIPCJHJPYPECQ-CQSZACIVSA-N 1 2 387.933 2.355 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3nc(Br)cs3)C2=O)n(C)n1 ZINC000834672005 654341881 /nfs/dbraw/zinc/34/18/81/654341881.db2.gz AJRCDSLCXDYTRS-VHSXEESVSA-N 1 2 384.303 2.404 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)c2cccc(Br)n2)C[C@@H]1n1cc[nH+]c1 ZINC000872460511 654343682 /nfs/dbraw/zinc/34/36/82/654343682.db2.gz AXMMAFVJZJUFAE-RYUDHWBXSA-N 1 2 385.287 2.312 20 0 GEADLO Cc1cc2c(cc1Br)CN(S(=O)(=O)CCn1cc[nH+]c1)CC2 ZINC000921969694 654349668 /nfs/dbraw/zinc/34/96/68/654349668.db2.gz OXKYOGLSXUTBBE-UHFFFAOYSA-N 1 2 384.299 2.342 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2cccc(Br)n2)C1 ZINC000872480532 654351129 /nfs/dbraw/zinc/35/11/29/654351129.db2.gz XENPXDXUEBQVNY-NSHDSACASA-N 1 2 385.287 2.146 20 0 GEADLO C[NH+](C)C[C@@H](NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1ccc(F)cc1 ZINC000872488456 654354118 /nfs/dbraw/zinc/35/41/18/654354118.db2.gz VZGREXNKTQFFOJ-QKFKETGDSA-N 1 2 379.523 2.159 20 0 GEADLO CC1=NO[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000854416402 654359982 /nfs/dbraw/zinc/35/99/82/654359982.db2.gz GJKSMCAZPCPLMG-ZDUSSCGKSA-N 1 2 381.230 2.432 20 0 GEADLO Cc1nc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2=O)sc1Br ZINC000922052178 654360853 /nfs/dbraw/zinc/36/08/53/654360853.db2.gz SDGQFFXOSVFSDJ-JTQLQIEISA-N 1 2 384.303 2.233 20 0 GEADLO Cc1nc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2=O)sc1Br ZINC000922052179 654360920 /nfs/dbraw/zinc/36/09/20/654360920.db2.gz SDGQFFXOSVFSDJ-SNVBAGLBSA-N 1 2 384.303 2.233 20 0 GEADLO O[C@H](C[NH2+]Cc1ncc(Br)cn1)COc1cccc2[nH]ccc21 ZINC000905670211 654373263 /nfs/dbraw/zinc/37/32/63/654373263.db2.gz ZWAAQOBSSVLOAP-GFCCVEGCSA-N 1 2 377.242 2.250 20 0 GEADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNCc3nc(Br)c[nH]3)C2)cc1 ZINC000922318219 654383092 /nfs/dbraw/zinc/38/30/92/654383092.db2.gz VAPQAQGMHKOUBB-OAHLLOKOSA-N 1 2 379.302 2.471 20 0 GEADLO Cc1ccc(C[N@H+]2CCO[C@H](CNCc3nc(Br)c[nH]3)C2)cc1 ZINC000922318219 654383098 /nfs/dbraw/zinc/38/30/98/654383098.db2.gz VAPQAQGMHKOUBB-OAHLLOKOSA-N 1 2 379.302 2.471 20 0 GEADLO O=S(=O)(NCC[NH2+]Cc1nnc(C2CC2)s1)c1ccc(Cl)s1 ZINC000893179226 654387532 /nfs/dbraw/zinc/38/75/32/654387532.db2.gz NBQPDSPUVDVFPU-UHFFFAOYSA-N 1 2 378.932 2.199 20 0 GEADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000854955065 654391069 /nfs/dbraw/zinc/39/10/69/654391069.db2.gz PJYMTGLBHPZGEO-NWDGAFQWSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000854955065 654391071 /nfs/dbraw/zinc/39/10/71/654391071.db2.gz PJYMTGLBHPZGEO-NWDGAFQWSA-N 1 2 391.256 2.454 20 0 GEADLO CC(C)Cn1c(CCC(N)=O)nn(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c1=S ZINC000872722786 654392940 /nfs/dbraw/zinc/39/29/40/654392940.db2.gz UYTLCKNGSUVQEA-KGLIPLIRSA-N 1 2 383.587 2.130 20 0 GEADLO CC(C)Cn1c(CCC(N)=O)nn(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c1=S ZINC000872722786 654392946 /nfs/dbraw/zinc/39/29/46/654392946.db2.gz UYTLCKNGSUVQEA-KGLIPLIRSA-N 1 2 383.587 2.130 20 0 GEADLO CSCc1cnc(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)s1 ZINC000922495153 654397788 /nfs/dbraw/zinc/39/77/88/654397788.db2.gz OUBBTLTZTNDSCK-UHFFFAOYSA-N 1 2 380.417 2.121 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000922516145 654399453 /nfs/dbraw/zinc/39/94/53/654399453.db2.gz UMCGVVCZJORWJY-KRWDZBQOSA-N 1 2 393.285 2.376 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000906057729 654410664 /nfs/dbraw/zinc/41/06/64/654410664.db2.gz MQYRHNMDOWMOQB-HSZRJFAPSA-N 1 2 391.584 2.318 20 0 GEADLO COC(=O)c1cnc([C@@H](C)NC(=O)NCc2nc(C[NH+](C)C)cs2)s1 ZINC000922964342 654422102 /nfs/dbraw/zinc/42/21/02/654422102.db2.gz FPRWEJMDLUHZNG-SECBINFHSA-N 1 2 383.499 2.008 20 0 GEADLO Cc1cc(Br)ccc1C[N@H+](C)Cc1cn(Cc2ncon2)nn1 ZINC000906302255 654426439 /nfs/dbraw/zinc/42/64/39/654426439.db2.gz JWGZIZFGIKXCNY-UHFFFAOYSA-N 1 2 377.246 2.412 20 0 GEADLO Cc1cc(Br)ccc1C[N@@H+](C)Cc1cn(Cc2ncon2)nn1 ZINC000906302255 654426440 /nfs/dbraw/zinc/42/64/40/654426440.db2.gz JWGZIZFGIKXCNY-UHFFFAOYSA-N 1 2 377.246 2.412 20 0 GEADLO Cc1cc[nH+]c(N)c1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000893877520 654428962 /nfs/dbraw/zinc/42/89/62/654428962.db2.gz KJPCZGBBVVFQOU-UHFFFAOYSA-N 1 2 380.901 2.132 20 0 GEADLO Cc1noc([C@H]2CCC[N@@H+](Cc3c(I)cnn3C)C2)n1 ZINC000893962564 654433759 /nfs/dbraw/zinc/43/37/59/654433759.db2.gz NGDOVRZPJDKZMP-JTQLQIEISA-N 1 2 387.225 2.096 20 0 GEADLO Cc1noc([C@H]2CCC[N@H+](Cc3c(I)cnn3C)C2)n1 ZINC000893962564 654433763 /nfs/dbraw/zinc/43/37/63/654433763.db2.gz NGDOVRZPJDKZMP-JTQLQIEISA-N 1 2 387.225 2.096 20 0 GEADLO Cc1noc([C@@H]2CCC[N@@H+](Cc3cn(C)nc3I)C2)n1 ZINC000893962602 654433993 /nfs/dbraw/zinc/43/39/93/654433993.db2.gz OPNDCGQAHZXKDD-SNVBAGLBSA-N 1 2 387.225 2.096 20 0 GEADLO Cc1noc([C@@H]2CCC[N@H+](Cc3cn(C)nc3I)C2)n1 ZINC000893962602 654433997 /nfs/dbraw/zinc/43/39/97/654433997.db2.gz OPNDCGQAHZXKDD-SNVBAGLBSA-N 1 2 387.225 2.096 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCc3cn(C)cn3)[nH+]c12 ZINC000894166964 654452150 /nfs/dbraw/zinc/45/21/50/654452150.db2.gz MEYNODCVKNJXSK-UHFFFAOYSA-N 1 2 391.273 2.181 20 0 GEADLO CCOCCOCc1cccc(C[NH2+]Cc2nc(Br)nn2C)c1 ZINC000894175546 654452699 /nfs/dbraw/zinc/45/26/99/654452699.db2.gz IXMAITMOXXGRBA-UHFFFAOYSA-N 1 2 383.290 2.421 20 0 GEADLO COc1ccc(C[NH2+]Cc2cn(C)nc2I)c(OC)c1 ZINC000894195590 654454313 /nfs/dbraw/zinc/45/43/13/654454313.db2.gz KGKXMIWSXJWZDV-UHFFFAOYSA-N 1 2 387.221 2.332 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906704221 654462936 /nfs/dbraw/zinc/46/29/36/654462936.db2.gz GQEVRDLQQBYVGR-YPMHNXCESA-N 1 2 380.703 2.408 20 0 GEADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1c(I)cnn1C ZINC000894315401 654464589 /nfs/dbraw/zinc/46/45/89/654464589.db2.gz FKLDIBKSQLKNLC-JTQLQIEISA-N 1 2 377.251 2.218 20 0 GEADLO Cn1nc(Br)nc1C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000894358996 654469246 /nfs/dbraw/zinc/46/92/46/654469246.db2.gz LKBWZKCRQHBNFH-SMDDNHRTSA-N 1 2 398.692 2.293 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000894374660 654470934 /nfs/dbraw/zinc/47/09/34/654470934.db2.gz JSWCWUXDEIMHEM-GXFFZTMASA-N 1 2 377.270 2.254 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000894374660 654470937 /nfs/dbraw/zinc/47/09/37/654470937.db2.gz JSWCWUXDEIMHEM-GXFFZTMASA-N 1 2 377.270 2.254 20 0 GEADLO Cc1nnc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000894403492 654473105 /nfs/dbraw/zinc/47/31/05/654473105.db2.gz QVMNKGYGAUGWOE-UHFFFAOYSA-N 1 2 381.310 2.221 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cc(C2CC2)nn1C)[N@@H+]1CCc2sccc2C1 ZINC000906832397 654477434 /nfs/dbraw/zinc/47/74/34/654477434.db2.gz KRDNQVDRVGFWQB-GFCCVEGCSA-N 1 2 380.539 2.084 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cc(C2CC2)nn1C)[N@H+]1CCc2sccc2C1 ZINC000906832397 654477438 /nfs/dbraw/zinc/47/74/38/654477438.db2.gz KRDNQVDRVGFWQB-GFCCVEGCSA-N 1 2 380.539 2.084 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cccc(Br)n3)C2)n1 ZINC000856679676 654485716 /nfs/dbraw/zinc/48/57/16/654485716.db2.gz VDXUEEAUBQCSJH-INIZCTEOSA-N 1 2 381.274 2.359 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cccc(Br)n3)C2)n1 ZINC000856679676 654485717 /nfs/dbraw/zinc/48/57/17/654485717.db2.gz VDXUEEAUBQCSJH-INIZCTEOSA-N 1 2 381.274 2.359 20 0 GEADLO O=C1N=NCN1C1CC[NH+](Cc2ccc(I)s2)CC1 ZINC000894608762 654490156 /nfs/dbraw/zinc/49/01/56/654490156.db2.gz RUZVVZZLOMYTCN-UHFFFAOYSA-N 1 2 390.250 2.487 20 0 GEADLO O=C1N=NCN1C1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000894610885 654490586 /nfs/dbraw/zinc/49/05/86/654490586.db2.gz ZRXALZJRADFJSC-UHFFFAOYSA-N 1 2 395.257 2.355 20 0 GEADLO Brc1ccc(-c2noc([C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)n2)nc1 ZINC000923969434 654494578 /nfs/dbraw/zinc/49/45/78/654494578.db2.gz CQNMKLLJWCAHRX-OCCSQVGLSA-N 1 2 395.257 2.446 20 0 GEADLO CN(C)C(=O)OC1CC[NH+](Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894862920 654502682 /nfs/dbraw/zinc/50/26/82/654502682.db2.gz NTQQBRQZGHAZDH-UHFFFAOYSA-N 1 2 388.921 2.296 20 0 GEADLO CC(C)(C[NH2+]Cc1ncc(Br)cc1O)[C@H]1COCC12OCCO2 ZINC000894855749 654502778 /nfs/dbraw/zinc/50/27/78/654502778.db2.gz BLSHWNAIVAHKSZ-CQSZACIVSA-N 1 2 387.274 2.055 20 0 GEADLO CC(C)[C@@]1(CO)CCC[N@H+](Cc2c(I)cnn2C)C1 ZINC000894865247 654503031 /nfs/dbraw/zinc/50/30/31/654503031.db2.gz QCYYFHQWCPSVFB-AWEZNQCLSA-N 1 2 377.270 2.255 20 0 GEADLO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2c(I)cnn2C)C1 ZINC000894865247 654503033 /nfs/dbraw/zinc/50/30/33/654503033.db2.gz QCYYFHQWCPSVFB-AWEZNQCLSA-N 1 2 377.270 2.255 20 0 GEADLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894878144 654503516 /nfs/dbraw/zinc/50/35/16/654503516.db2.gz SPZPLBZVIDVCQC-GFCCVEGCSA-N 1 2 388.921 2.296 20 0 GEADLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894878144 654503518 /nfs/dbraw/zinc/50/35/18/654503518.db2.gz SPZPLBZVIDVCQC-GFCCVEGCSA-N 1 2 388.921 2.296 20 0 GEADLO CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000894934764 654506369 /nfs/dbraw/zinc/50/63/69/654506369.db2.gz SWVVVOBINSSFAK-UHFFFAOYSA-N 1 2 383.290 2.301 20 0 GEADLO CCc1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)ccc1Br ZINC000907146200 654514520 /nfs/dbraw/zinc/51/45/20/654514520.db2.gz WBLKOBLXEYQPPL-AWEZNQCLSA-N 1 2 380.242 2.249 20 0 GEADLO CCc1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)ccc1Br ZINC000907146200 654514525 /nfs/dbraw/zinc/51/45/25/654514525.db2.gz WBLKOBLXEYQPPL-AWEZNQCLSA-N 1 2 380.242 2.249 20 0 GEADLO O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000907164521 654516495 /nfs/dbraw/zinc/51/64/95/654516495.db2.gz MBMKCZKDVOMBNT-CYBMUJFWSA-N 1 2 378.841 2.453 20 0 GEADLO Cn1c[nH+]cc1CNS(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1 ZINC000907200185 654520009 /nfs/dbraw/zinc/52/00/09/654520009.db2.gz UWSYLXLCCHOVDN-OAHLLOKOSA-N 1 2 384.299 2.160 20 0 GEADLO Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924760915 654524093 /nfs/dbraw/zinc/52/40/93/654524093.db2.gz MKFYCMRSAZWPOU-UHFFFAOYSA-N 1 2 382.511 2.238 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)n1 ZINC000924782919 654524630 /nfs/dbraw/zinc/52/46/30/654524630.db2.gz SMRULQLZVANWQB-AWEZNQCLSA-N 1 2 380.436 2.194 20 0 GEADLO CN(Cc1ncc(Br)cn1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924793085 654525095 /nfs/dbraw/zinc/52/50/95/654525095.db2.gz WAVUEKBXCLUEOK-UHFFFAOYSA-N 1 2 399.318 2.099 20 0 GEADLO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1nc(Br)ccc1F ZINC000924832361 654525698 /nfs/dbraw/zinc/52/56/98/654525698.db2.gz HITRJQHEFUBSCZ-SECBINFHSA-N 1 2 382.299 2.352 20 0 GEADLO C[C@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)c1ncco1 ZINC000924917894 654529086 /nfs/dbraw/zinc/52/90/86/654529086.db2.gz BLVUMUFVXHAROW-JQWIXIFHSA-N 1 2 388.205 2.370 20 0 GEADLO CO[C@]1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCSC1 ZINC000925366386 654542942 /nfs/dbraw/zinc/54/29/42/654542942.db2.gz IEGMQCRTKFNTOX-ZQIUZPCESA-N 1 2 387.546 2.482 20 0 GEADLO CO[C@]1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCSC1 ZINC000925366386 654542944 /nfs/dbraw/zinc/54/29/44/654542944.db2.gz IEGMQCRTKFNTOX-ZQIUZPCESA-N 1 2 387.546 2.482 20 0 GEADLO C[C@H]1COC[C@H]1NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000926014290 654556122 /nfs/dbraw/zinc/55/61/22/654556122.db2.gz MVFVGCRJPIBSSU-GXTWGEPZSA-N 1 2 397.273 2.485 20 0 GEADLO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)c2ncnn21 ZINC000926412160 654570643 /nfs/dbraw/zinc/57/06/43/654570643.db2.gz XWJOQYLFHGIVFQ-MWLCHTKSSA-N 1 2 390.296 2.159 20 0 GEADLO O=C(NCc1nc2c(s1)COCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000927685847 654610363 /nfs/dbraw/zinc/61/03/63/654610363.db2.gz RYQJPDTUFQDQFE-UHFFFAOYSA-N 1 2 378.523 2.305 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)n1 ZINC000927767903 654613053 /nfs/dbraw/zinc/61/30/53/654613053.db2.gz FUMWBJQVWVZKOB-UHFFFAOYSA-N 1 2 387.914 2.192 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2c(Br)nc3n2CCCC3)n1 ZINC000927765814 654613105 /nfs/dbraw/zinc/61/31/05/654613105.db2.gz ZADQZPURVVDBPX-UHFFFAOYSA-N 1 2 398.330 2.430 20 0 GEADLO C/C(=C/C(=O)N1CCC[C@@H]1c1ncc(Br)cn1)C[NH+]1CCOCC1 ZINC000928355183 654641720 /nfs/dbraw/zinc/64/17/20/654641720.db2.gz AOSRVGUSGGTLGK-UZGISAJGSA-N 1 2 395.301 2.181 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000928439791 654647511 /nfs/dbraw/zinc/64/75/11/654647511.db2.gz OOXOKDNTWWDRSB-YGRLFVJLSA-N 1 2 389.315 2.065 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000928439791 654647512 /nfs/dbraw/zinc/64/75/12/654647512.db2.gz OOXOKDNTWWDRSB-YGRLFVJLSA-N 1 2 389.315 2.065 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000928645479 654654055 /nfs/dbraw/zinc/65/40/55/654654055.db2.gz BCBMDXLIWDGQDS-LLVKDONJSA-N 1 2 382.814 2.091 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(Cl)ncc1Br ZINC000928647964 654654142 /nfs/dbraw/zinc/65/41/42/654654142.db2.gz NGODCNPWRPNWJY-SNVBAGLBSA-N 1 2 376.682 2.338 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)C(=O)N[C@@H](c2cccs2)C2CC2)n1 ZINC000929275028 654677508 /nfs/dbraw/zinc/67/75/08/654677508.db2.gz FEEPERXLWKJBEF-OAHLLOKOSA-N 1 2 378.523 2.150 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCS1(=O)=O ZINC000929321811 654679455 /nfs/dbraw/zinc/67/94/55/654679455.db2.gz TVXQLKQXKYFGOA-CHWSQXEVSA-N 1 2 386.543 2.216 20 0 GEADLO Cn1cc(Br)c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1=O ZINC000929672604 654689823 /nfs/dbraw/zinc/68/98/23/654689823.db2.gz NIYNYCSSNRHKCH-UHFFFAOYSA-N 1 2 391.269 2.073 20 0 GEADLO Cc1nnc(CC[N@@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)o1 ZINC000930299427 654705133 /nfs/dbraw/zinc/70/51/33/654705133.db2.gz DMJHZIHXVBRPSC-UHFFFAOYSA-N 1 2 377.246 2.396 20 0 GEADLO Cc1nnc(CC[N@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)o1 ZINC000930299427 654705139 /nfs/dbraw/zinc/70/51/39/654705139.db2.gz DMJHZIHXVBRPSC-UHFFFAOYSA-N 1 2 377.246 2.396 20 0 GEADLO CCS[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000930439238 654710279 /nfs/dbraw/zinc/71/02/79/654710279.db2.gz IKUDRHZHPMHLDJ-GXTWGEPZSA-N 1 2 384.571 2.001 20 0 GEADLO COc1cc(CNC(=O)/C=C(/C)C[NH+]2CCOCC2)c(Br)cc1O ZINC000911608116 654727684 /nfs/dbraw/zinc/72/76/84/654727684.db2.gz ZLGSLQZAHNKXDZ-GHXNOFRVSA-N 1 2 399.285 2.058 20 0 GEADLO CC[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000931226796 654734646 /nfs/dbraw/zinc/73/46/46/654734646.db2.gz XQBWSDOPTXUWSU-CVEARBPZSA-N 1 2 387.933 2.050 20 0 GEADLO CC[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000931226796 654734651 /nfs/dbraw/zinc/73/46/51/654734651.db2.gz XQBWSDOPTXUWSU-CVEARBPZSA-N 1 2 387.933 2.050 20 0 GEADLO Cc1nc2c(c(=O)[nH]1)C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000931320790 654738125 /nfs/dbraw/zinc/73/81/25/654738125.db2.gz SYSFAXCCJSQBRM-GFCCVEGCSA-N 1 2 380.242 2.009 20 0 GEADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000931320790 654738128 /nfs/dbraw/zinc/73/81/28/654738128.db2.gz SYSFAXCCJSQBRM-GFCCVEGCSA-N 1 2 380.242 2.009 20 0 GEADLO COC1(OC)CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C[C@@H]1O ZINC000931643831 654750498 /nfs/dbraw/zinc/75/04/98/654750498.db2.gz CHEYFEHEYGLDAB-ZDUSSCGKSA-N 1 2 398.257 2.055 20 0 GEADLO COC1(OC)CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C[C@@H]1O ZINC000931643831 654750501 /nfs/dbraw/zinc/75/05/01/654750501.db2.gz CHEYFEHEYGLDAB-ZDUSSCGKSA-N 1 2 398.257 2.055 20 0 GEADLO COc1cc(Br)c(C[NH2+][C@@H]2COCCC2(OC)OC)cc1OC ZINC000931668654 654752271 /nfs/dbraw/zinc/75/22/71/654752271.db2.gz PNBNPXHJBUWAPC-OAHLLOKOSA-N 1 2 390.274 2.334 20 0 GEADLO COC(=O)c1ccc(C[NH2+][C@@H]2COCCC2(OC)OC)c(Br)c1 ZINC000931676373 654753032 /nfs/dbraw/zinc/75/30/32/654753032.db2.gz VRHJIKJWCQTYIN-CQSZACIVSA-N 1 2 388.258 2.103 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCc3ccc(Br)c(F)c3C2)C1 ZINC000932014779 654764218 /nfs/dbraw/zinc/76/42/18/654764218.db2.gz ZUVXUDHLZMADFB-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCc3ccc(Br)c(F)c3C2)C1 ZINC000932014779 654764221 /nfs/dbraw/zinc/76/42/21/654764221.db2.gz ZUVXUDHLZMADFB-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO C/C(=C\C(=O)N1CCOc2cc(Br)ccc2C1)C[NH+]1CCOCC1 ZINC000912721101 654765330 /nfs/dbraw/zinc/76/53/30/654765330.db2.gz WFWWJARCXOJLLQ-GXDHUFHOSA-N 1 2 395.297 2.449 20 0 GEADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCS[C@@H](C(F)(F)F)C2)CC1 ZINC000932087722 654766485 /nfs/dbraw/zinc/76/64/85/654766485.db2.gz WNUGJOHHMSSUST-DGCLKSJQSA-N 1 2 382.448 2.156 20 0 GEADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCS[C@@H](C(F)(F)F)C2)CC1 ZINC000932087722 654766488 /nfs/dbraw/zinc/76/64/88/654766488.db2.gz WNUGJOHHMSSUST-DGCLKSJQSA-N 1 2 382.448 2.156 20 0 GEADLO Cn1ccc(C2CC[NH+](CC(=O)Nc3ccc(Br)cn3)CC2)n1 ZINC000932143957 654768202 /nfs/dbraw/zinc/76/82/02/654768202.db2.gz PTQBKFUZCLLDBP-UHFFFAOYSA-N 1 2 378.274 2.396 20 0 GEADLO CC(C)(CC[NH+]1CCOCC1)NC(=O)C(=O)c1ccc(Br)s1 ZINC000912949856 654776451 /nfs/dbraw/zinc/77/64/51/654776451.db2.gz UWQIVZXNLMOVKY-UHFFFAOYSA-N 1 2 389.315 2.310 20 0 GEADLO C[C@H](C(=O)N1CC(Cc2cccc(Br)c2)C1)[NH+]1CCN(C)CC1 ZINC000913095653 654782793 /nfs/dbraw/zinc/78/27/93/654782793.db2.gz QWONPBYIMPFKKN-CQSZACIVSA-N 1 2 380.330 2.086 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@@H+]([C@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000932660956 654784709 /nfs/dbraw/zinc/78/47/09/654784709.db2.gz UESAORHHHVAXOY-VXGBXAGGSA-N 1 2 379.507 2.485 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@H+]([C@H](C)C(=O)NCc3cccs3)C2)s1 ZINC000932660956 654784712 /nfs/dbraw/zinc/78/47/12/654784712.db2.gz UESAORHHHVAXOY-VXGBXAGGSA-N 1 2 379.507 2.485 20 0 GEADLO O[C@H](C[N@@H+]1CCc2c(Cl)ccc(Br)c2C1)C1(O)CCOCC1 ZINC000932753576 654788357 /nfs/dbraw/zinc/78/83/57/654788357.db2.gz IEGKBQXCJSSUBF-OAHLLOKOSA-N 1 2 390.705 2.363 20 0 GEADLO O[C@H](C[N@H+]1CCc2c(Cl)ccc(Br)c2C1)C1(O)CCOCC1 ZINC000932753576 654788359 /nfs/dbraw/zinc/78/83/59/654788359.db2.gz IEGKBQXCJSSUBF-OAHLLOKOSA-N 1 2 390.705 2.363 20 0 GEADLO Cc1ccc(OCCC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c(Br)c1 ZINC000913446255 654792502 /nfs/dbraw/zinc/79/25/02/654792502.db2.gz XMGXWCVERVJMMJ-OAHLLOKOSA-N 1 2 393.285 2.423 20 0 GEADLO COc1c(Br)ccc(C)c1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913455509 654792876 /nfs/dbraw/zinc/79/28/76/654792876.db2.gz AVMZQEUUVBLQFE-AWEZNQCLSA-N 1 2 393.285 2.286 20 0 GEADLO O=C1NC[C@@H](O)CC12CC[NH+](Cc1ccc(Cl)nc1C(F)(F)F)CC2 ZINC000932833706 654793039 /nfs/dbraw/zinc/79/30/39/654793039.db2.gz SNQVXYMJUWBXHD-NSHDSACASA-N 1 2 377.794 2.217 20 0 GEADLO CO[C@H](C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1)c1ccccc1Br ZINC000913455714 654793062 /nfs/dbraw/zinc/79/30/62/654793062.db2.gz CKHNHWYNOUEQRW-HOTGVXAUSA-N 1 2 393.285 2.043 20 0 GEADLO O=C(Cc1c[nH]c2ccc(Br)cc12)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913457583 654793081 /nfs/dbraw/zinc/79/30/81/654793081.db2.gz FCUZLIBRURZIJF-INIZCTEOSA-N 1 2 388.269 2.369 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)Cc3ccc(Br)cc3F)CC[NH2+]2)cn1 ZINC000913457647 654793187 /nfs/dbraw/zinc/79/31/87/654793187.db2.gz VJFSHKKXSOCTMD-HNNXBMFYSA-N 1 2 381.249 2.037 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3cc(Cl)ncc3Br)CC[NH2+]2)cn1 ZINC000913459361 654793391 /nfs/dbraw/zinc/79/33/91/654793391.db2.gz ACBJTBFRGQRCCL-LBPRGKRZSA-N 1 2 384.665 2.018 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3cnc(Cl)c(Br)c3)CC[NH2+]2)cn1 ZINC000913460484 654793759 /nfs/dbraw/zinc/79/37/59/654793759.db2.gz JSBWBVFYQFNXIN-GFCCVEGCSA-N 1 2 384.665 2.018 20 0 GEADLO Cc1cc(Br)ccc1CC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913463254 654794069 /nfs/dbraw/zinc/79/40/69/654794069.db2.gz CDPNFXQGFICYFY-INIZCTEOSA-N 1 2 377.286 2.207 20 0 GEADLO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000933034607 654800543 /nfs/dbraw/zinc/80/05/43/654800543.db2.gz FWDVFZGTWZMLNJ-ZDUSSCGKSA-N 1 2 375.213 2.112 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCc3cc(F)c(Br)cc3C2)C1 ZINC000933138158 654803448 /nfs/dbraw/zinc/80/34/48/654803448.db2.gz NOAMLOXPLFKJLD-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCc3cc(F)c(Br)cc3C2)C1 ZINC000933138158 654803451 /nfs/dbraw/zinc/80/34/51/654803451.db2.gz NOAMLOXPLFKJLD-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO Cc1nc(Br)sc1C(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913694066 654804599 /nfs/dbraw/zinc/80/45/99/654804599.db2.gz ATZYXIOVENJBRW-UHFFFAOYSA-N 1 2 376.320 2.134 20 0 GEADLO CCn1c[nH+]c2c1CCN(C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000933264654 654805871 /nfs/dbraw/zinc/80/58/71/654805871.db2.gz YKNQLZAMGGYSBC-AWEZNQCLSA-N 1 2 380.286 2.464 20 0 GEADLO CCc1ccc(Br)cc1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000933359026 654810080 /nfs/dbraw/zinc/81/00/80/654810080.db2.gz JAQCDAMSYNODGV-UHFFFAOYSA-N 1 2 392.301 2.061 20 0 GEADLO O=C(N[C@H]1CCC[N@H+](CC[C@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1 ZINC000933637405 654818520 /nfs/dbraw/zinc/81/85/20/654818520.db2.gz KBKZGJJWAVWGDD-YOEHRIQHSA-N 1 2 384.929 2.359 20 0 GEADLO O=C(N[C@H]1CCC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1 ZINC000933637405 654818521 /nfs/dbraw/zinc/81/85/21/654818521.db2.gz KBKZGJJWAVWGDD-YOEHRIQHSA-N 1 2 384.929 2.359 20 0 GEADLO O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000914090350 654825790 /nfs/dbraw/zinc/82/57/90/654825790.db2.gz GBOLMWDZMCKDTR-YYUOZPCZSA-N 1 2 397.444 2.058 20 0 GEADLO O=S(=O)(N=[S@](=O)(c1ccccc1)C(F)(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000914090350 654825792 /nfs/dbraw/zinc/82/57/92/654825792.db2.gz GBOLMWDZMCKDTR-YYUOZPCZSA-N 1 2 397.444 2.058 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933901664 654829323 /nfs/dbraw/zinc/82/93/23/654829323.db2.gz DLXSLHVPXHKXIO-ZDUSSCGKSA-N 1 2 389.315 2.306 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933901664 654829326 /nfs/dbraw/zinc/82/93/26/654829326.db2.gz DLXSLHVPXHKXIO-ZDUSSCGKSA-N 1 2 389.315 2.306 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000933917122 654829846 /nfs/dbraw/zinc/82/98/46/654829846.db2.gz ZPHLIOZGBGZCFP-LBPRGKRZSA-N 1 2 383.905 2.489 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccnn2Cc2ccc(Cl)s2)CCO1 ZINC000933930649 654831244 /nfs/dbraw/zinc/83/12/44/654831244.db2.gz BUWBSIAAUZZLLP-GFCCVEGCSA-N 1 2 383.905 2.489 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccnn2Cc2ccc(Cl)s2)CCO1 ZINC000933930649 654831247 /nfs/dbraw/zinc/83/12/47/654831247.db2.gz BUWBSIAAUZZLLP-GFCCVEGCSA-N 1 2 383.905 2.489 20 0 GEADLO Cc1csc2nc(C[N@H+]3CCCSC[C@H]3c3cnn(C)c3)cc(=O)n12 ZINC000933987414 654833157 /nfs/dbraw/zinc/83/31/57/654833157.db2.gz ZXTDZRAGKTYQEX-HNNXBMFYSA-N 1 2 375.523 2.478 20 0 GEADLO Cc1csc2nc(C[N@@H+]3CCCSC[C@H]3c3cnn(C)c3)cc(=O)n12 ZINC000933987414 654833158 /nfs/dbraw/zinc/83/31/58/654833158.db2.gz ZXTDZRAGKTYQEX-HNNXBMFYSA-N 1 2 375.523 2.478 20 0 GEADLO O=S(=O)(Cc1ccc(F)cc1Br)N[C@H]1CCc2[nH+]ccn2C1 ZINC000914304904 654843614 /nfs/dbraw/zinc/84/36/14/654843614.db2.gz LOULFDMVQSTOSK-LBPRGKRZSA-N 1 2 388.262 2.219 20 0 GEADLO C[C@@H]1CCN(C(=O)c2cc(Br)cn3ncnc23)C[C@H]1n1cc[nH+]c1 ZINC000934655493 654854662 /nfs/dbraw/zinc/85/46/62/654854662.db2.gz XKBKMRUJSMAXPM-BXUZGUMPSA-N 1 2 389.257 2.412 20 0 GEADLO C[C@H]1CCN(C(=O)c2cc(Br)cn3ncnc23)C[C@H]1n1cc[nH+]c1 ZINC000934655496 654854965 /nfs/dbraw/zinc/85/49/65/654854965.db2.gz XKBKMRUJSMAXPM-SMDDNHRTSA-N 1 2 389.257 2.412 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n1 ZINC000914722218 654856934 /nfs/dbraw/zinc/85/69/34/654856934.db2.gz RLEBCCGWBCTRFU-JTQLQIEISA-N 1 2 378.420 2.334 20 0 GEADLO Cc1nnsc1C[NH2+][C@@H](CO)c1ccccc1I ZINC000934828042 654861884 /nfs/dbraw/zinc/86/18/84/654861884.db2.gz MHBYDEPWIXKSMU-NSHDSACASA-N 1 2 375.235 2.274 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)/C=C\c2ccc(C)cc2Br)CC1 ZINC000915624236 654875426 /nfs/dbraw/zinc/87/54/26/654875426.db2.gz MPJVJFWFTPEBGO-WAYWQWQTSA-N 1 2 394.313 2.051 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@H]2c2cncc(Br)c2)CCO1 ZINC000915826953 654880163 /nfs/dbraw/zinc/88/01/63/654880163.db2.gz GBMPHBAQVYEFHU-BBRMVZONSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@H]2c2cncc(Br)c2)CCO1 ZINC000915826953 654880164 /nfs/dbraw/zinc/88/01/64/654880164.db2.gz GBMPHBAQVYEFHU-BBRMVZONSA-N 1 2 397.317 2.411 20 0 GEADLO CCn1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)nn1 ZINC000935584332 654901809 /nfs/dbraw/zinc/90/18/09/654901809.db2.gz FPPXZVCXTJANET-UHFFFAOYSA-N 1 2 393.289 2.065 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000935923382 654927696 /nfs/dbraw/zinc/92/76/96/654927696.db2.gz RCVHYLOXIKYMDI-MFKMUULPSA-N 1 2 389.253 2.203 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1nc(Br)c2ccccn21 ZINC000935935221 654928699 /nfs/dbraw/zinc/92/86/99/654928699.db2.gz UCSZZAVEZNXEOP-CHWSQXEVSA-N 1 2 393.285 2.032 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2cc(C=O)sc2Cl)CC1 ZINC000935950761 654929555 /nfs/dbraw/zinc/92/95/55/654929555.db2.gz QJENOMKFEUJZFG-UHFFFAOYSA-N 1 2 385.917 2.277 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)s1)C2 ZINC001000583642 654954912 /nfs/dbraw/zinc/95/49/12/654954912.db2.gz BESCOVBMPYNWGS-WXHSDQCUSA-N 1 2 378.885 2.239 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(Cl)cc3Cl)CC2)C1=O ZINC001164639721 719267412 /nfs/dbraw/zinc/26/74/12/719267412.db2.gz QVADFUGDHCGMEF-UHFFFAOYSA-N 1 2 387.311 2.148 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(Cl)cc3Cl)CC2)C1=O ZINC001164639721 719267416 /nfs/dbraw/zinc/26/74/16/719267416.db2.gz QVADFUGDHCGMEF-UHFFFAOYSA-N 1 2 387.311 2.148 20 0 GEADLO Cc1cc(C(N)=O)cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164678556 719529802 /nfs/dbraw/zinc/52/98/02/719529802.db2.gz LRLPODZYUUBVLN-UHFFFAOYSA-N 1 2 398.482 2.499 20 0 GEADLO Cc1cc(C(N)=O)cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164678556 719529807 /nfs/dbraw/zinc/52/98/07/719529807.db2.gz LRLPODZYUUBVLN-UHFFFAOYSA-N 1 2 398.482 2.499 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2)nn1 ZINC001164696946 719844215 /nfs/dbraw/zinc/84/42/15/719844215.db2.gz BHKVYZNGDJNYQT-GCJKJVERSA-N 1 2 396.491 2.376 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccoc21 ZINC001164697810 719861466 /nfs/dbraw/zinc/86/14/66/719861466.db2.gz AXXQTSJJVIPYAB-XIKOKIGWSA-N 1 2 394.859 2.109 20 0 GEADLO CCSc1ccnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164707801 719876162 /nfs/dbraw/zinc/87/61/62/719876162.db2.gz VNKQUPJAFCXDTG-HNAYVOBHSA-N 1 2 379.526 2.426 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc(Cl)c1C(C)C ZINC001164705003 719876679 /nfs/dbraw/zinc/87/66/79/719876679.db2.gz MVIJXBIJBVQVSI-KUHUBIRLSA-N 1 2 396.919 2.486 20 0 GEADLO FC(F)(Oc1cccnc1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164826695 720398037 /nfs/dbraw/zinc/39/80/37/720398037.db2.gz CRNBHUPDMCZTFM-UHFFFAOYSA-N 1 2 395.801 2.406 20 0 GEADLO COC(=O)c1c(Cl)ccnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009392 721695341 /nfs/dbraw/zinc/69/53/41/721695341.db2.gz PQWNMJRQBQMLRW-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO COC(=O)c1c(Cl)ccnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009392 721695347 /nfs/dbraw/zinc/69/53/47/721695347.db2.gz PQWNMJRQBQMLRW-UHFFFAOYSA-N 1 2 392.891 2.364 20 0 GEADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C(C)C)n1 ZINC001164914755 721794187 /nfs/dbraw/zinc/79/41/87/721794187.db2.gz RGQMCFRWJCLSEJ-JOCHJYFZSA-N 1 2 397.523 2.411 20 0 GEADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C(C)C)n1 ZINC001164914755 721794190 /nfs/dbraw/zinc/79/41/90/721794190.db2.gz RGQMCFRWJCLSEJ-JOCHJYFZSA-N 1 2 397.523 2.411 20 0 GEADLO CC(C)Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164915674 721796267 /nfs/dbraw/zinc/79/62/67/721796267.db2.gz XLZMNUCDMUOENS-JOCHJYFZSA-N 1 2 397.523 2.178 20 0 GEADLO CC(C)Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164915674 721796272 /nfs/dbraw/zinc/79/62/72/721796272.db2.gz XLZMNUCDMUOENS-JOCHJYFZSA-N 1 2 397.523 2.178 20 0 GEADLO COc1nc(Cl)nc(C)c1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917964 721815745 /nfs/dbraw/zinc/81/57/45/721815745.db2.gz SCLZGWOTTIGVRK-UHFFFAOYSA-N 1 2 376.892 2.393 20 0 GEADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(c2[nH]c3cc(=O)[nH]c-3cc2Cl)CC1 ZINC001164916666 721816362 /nfs/dbraw/zinc/81/63/62/721816362.db2.gz FVDTYSHDPBZREK-UHFFFAOYSA-N 1 2 386.887 2.176 20 0 GEADLO Cc1cnc2n1CC[N@H+](C)C21CCN(c2[nH]c3cc(=O)[nH]c-3cc2Cl)CC1 ZINC001164916666 721816364 /nfs/dbraw/zinc/81/63/64/721816364.db2.gz FVDTYSHDPBZREK-UHFFFAOYSA-N 1 2 386.887 2.176 20 0 GEADLO CN1C(=O)CC[C@H]2[C@H]1CCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164934673 721891429 /nfs/dbraw/zinc/89/14/29/721891429.db2.gz RZFPDTOOLJFSDG-UXHICEINSA-N 1 2 377.492 2.234 20 0 GEADLO CN1C(=O)CC[C@H]2[C@H]1CCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164934673 721891430 /nfs/dbraw/zinc/89/14/30/721891430.db2.gz RZFPDTOOLJFSDG-UXHICEINSA-N 1 2 377.492 2.234 20 0 GEADLO COC(=O)c1cc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)cnc1Cl ZINC001165039823 721906392 /nfs/dbraw/zinc/90/63/92/721906392.db2.gz VSLZUCXAVKLURV-ZDUSSCGKSA-N 1 2 389.830 2.368 20 0 GEADLO COC(=O)c1ccc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)n1 ZINC001165038112 721908410 /nfs/dbraw/zinc/90/84/10/721908410.db2.gz JYTCVGZJSRRWDA-GFCCVEGCSA-N 1 2 389.830 2.368 20 0 GEADLO CN(C)c1cc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)nc(Cl)n1 ZINC001165044985 721924309 /nfs/dbraw/zinc/92/43/09/721924309.db2.gz XTYNQEWBICQRRO-LBPRGKRZSA-N 1 2 375.851 2.042 20 0 GEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)ncc1F)CC2 ZINC001164943290 721968723 /nfs/dbraw/zinc/96/87/23/721968723.db2.gz FGSRBGOUSHVPAZ-UHFFFAOYSA-N 1 2 389.862 2.240 20 0 GEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)ncc1F)CC2 ZINC001164943290 721968725 /nfs/dbraw/zinc/96/87/25/721968725.db2.gz FGSRBGOUSHVPAZ-UHFFFAOYSA-N 1 2 389.862 2.240 20 0 GEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc(C3CC3)cn1)CC2 ZINC001164945125 721974332 /nfs/dbraw/zinc/97/43/32/721974332.db2.gz DASMEHSOQPWQGW-UHFFFAOYSA-N 1 2 377.492 2.325 20 0 GEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc(C3CC3)cn1)CC2 ZINC001164945125 721974334 /nfs/dbraw/zinc/97/43/34/721974334.db2.gz DASMEHSOQPWQGW-UHFFFAOYSA-N 1 2 377.492 2.325 20 0 GEADLO COc1nc(C)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1C ZINC001164948108 721980905 /nfs/dbraw/zinc/98/09/05/721980905.db2.gz JFZJTCFQFSYKJB-UHFFFAOYSA-N 1 2 395.507 2.073 20 0 GEADLO COc1nc(C)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1C ZINC001164948108 721980906 /nfs/dbraw/zinc/98/09/06/721980906.db2.gz JFZJTCFQFSYKJB-UHFFFAOYSA-N 1 2 395.507 2.073 20 0 GEADLO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055693 722017571 /nfs/dbraw/zinc/01/75/71/722017571.db2.gz SQVBKJFZPIBEKB-UHFFFAOYSA-N 1 2 393.829 2.263 20 0 GEADLO COc1cc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)nc(Cl)n1 ZINC001165056134 722020437 /nfs/dbraw/zinc/02/04/37/722020437.db2.gz WXBJIEJOOPERSH-UHFFFAOYSA-N 1 2 383.830 2.443 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)Cc1cccc(I)c1)C2 ZINC000152029849 531528416 /nfs/dbraw/zinc/52/84/16/531528416.db2.gz QUXWVHMNNZGZEM-AWEZNQCLSA-N 1 2 395.244 2.470 20 0 GEADLO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Br)cc2O)CC1 ZINC000152571736 531557561 /nfs/dbraw/zinc/55/75/61/531557561.db2.gz LCPYQLVDWGIRCD-ZDUSSCGKSA-N 1 2 384.318 2.158 20 0 GEADLO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(Br)cc2O)CC1 ZINC000152571736 531557592 /nfs/dbraw/zinc/55/75/92/531557592.db2.gz LCPYQLVDWGIRCD-ZDUSSCGKSA-N 1 2 384.318 2.158 20 0 GEADLO NC(=O)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000017286324 531572385 /nfs/dbraw/zinc/57/23/85/531572385.db2.gz CUZUXBPNDIFMMH-NSHDSACASA-N 1 2 375.416 2.477 20 0 GEADLO NC(=O)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000017286324 531572395 /nfs/dbraw/zinc/57/23/95/531572395.db2.gz CUZUXBPNDIFMMH-NSHDSACASA-N 1 2 375.416 2.477 20 0 GEADLO CCO[C@H]1C[C@@H](O)C12CC[NH+](CC(=O)Nc1ccc(Br)cn1)CC2 ZINC000152882851 531576554 /nfs/dbraw/zinc/57/65/54/531576554.db2.gz FHXJJGJPVGCMKS-KGLIPLIRSA-N 1 2 398.301 2.035 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000020795819 531584233 /nfs/dbraw/zinc/58/42/33/531584233.db2.gz AGWORHAPZBJRTP-UHFFFAOYSA-N 1 2 383.876 2.423 20 0 GEADLO O=C(NC[C@H](O)c1ccsc1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000153366098 531596515 /nfs/dbraw/zinc/59/65/15/531596515.db2.gz IYHLCNDKHNYQRT-CABCVRRESA-N 1 2 381.523 2.216 20 0 GEADLO CCNC(=O)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000153797056 531609703 /nfs/dbraw/zinc/60/97/03/531609703.db2.gz PEZHVKGDEVWMMO-ZDUSSCGKSA-N 1 2 376.284 2.080 20 0 GEADLO Cc1cc(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c(C)s1 ZINC000026828934 531618496 /nfs/dbraw/zinc/61/84/96/531618496.db2.gz BBDLWTISMPBZKN-UHFFFAOYSA-N 1 2 379.551 2.465 20 0 GEADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000026813079 531619450 /nfs/dbraw/zinc/61/94/50/531619450.db2.gz PQQRTOSYWWZSBO-CYBMUJFWSA-N 1 2 379.917 2.361 20 0 GEADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026813079 531619459 /nfs/dbraw/zinc/61/94/59/531619459.db2.gz PQQRTOSYWWZSBO-CYBMUJFWSA-N 1 2 379.917 2.361 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC000026958131 531621543 /nfs/dbraw/zinc/62/15/43/531621543.db2.gz HPBYUUYSKWOMHL-NSHDSACASA-N 1 2 397.360 2.146 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC000026958131 531621550 /nfs/dbraw/zinc/62/15/50/531621550.db2.gz HPBYUUYSKWOMHL-NSHDSACASA-N 1 2 397.360 2.146 20 0 GEADLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)Cc1ccc(Br)o1 ZINC000030218565 531633486 /nfs/dbraw/zinc/63/34/86/531633486.db2.gz RTIJINKHIQUZNM-SSDOTTSWSA-N 1 2 386.168 2.251 20 0 GEADLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030218565 531633493 /nfs/dbraw/zinc/63/34/93/531633493.db2.gz RTIJINKHIQUZNM-SSDOTTSWSA-N 1 2 386.168 2.251 20 0 GEADLO Cc1ccc(Cl)c(OCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000031943200 531647358 /nfs/dbraw/zinc/64/73/58/531647358.db2.gz ZEHTVKNWZMMYPL-GOSISDBHSA-N 1 2 384.929 2.351 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)c1[nH+]cnc2c1cnn2C ZINC000030683150 531639805 /nfs/dbraw/zinc/63/98/05/531639805.db2.gz XDIFZFXKTMREOW-UHFFFAOYSA-N 1 2 375.230 2.201 20 0 GEADLO CCNc1nnc(S[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000042536891 531669891 /nfs/dbraw/zinc/66/98/91/531669891.db2.gz BLKDPFSRMCNSQY-GFCCVEGCSA-N 1 2 378.527 2.194 20 0 GEADLO CCOc1cc(C[N@H+](C)CCS(C)(=O)=O)cc(Br)c1OC ZINC000155174100 531662407 /nfs/dbraw/zinc/66/24/07/531662407.db2.gz JGMRSXMUZBENTB-UHFFFAOYSA-N 1 2 380.304 2.333 20 0 GEADLO CCOc1cc(C[N@@H+](C)CCS(C)(=O)=O)cc(Br)c1OC ZINC000155174100 531662414 /nfs/dbraw/zinc/66/24/14/531662414.db2.gz JGMRSXMUZBENTB-UHFFFAOYSA-N 1 2 380.304 2.333 20 0 GEADLO Cc1nc(C)c(CNC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)s1 ZINC000155213589 531663812 /nfs/dbraw/zinc/66/38/12/531663812.db2.gz RJNVGBGOEYDURF-UHFFFAOYSA-N 1 2 381.523 2.025 20 0 GEADLO CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000041639102 531666812 /nfs/dbraw/zinc/66/68/12/531666812.db2.gz KMOBJNPPRICHGO-UHFFFAOYSA-N 1 2 395.232 2.304 20 0 GEADLO COCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000042857386 531674931 /nfs/dbraw/zinc/67/49/31/531674931.db2.gz ZYEUQBMIHYNPDQ-LBPRGKRZSA-N 1 2 389.265 2.146 20 0 GEADLO O=C(CCNC(=O)c1cc(F)ccc1Br)NCCCn1cc[nH+]c1 ZINC000045584777 531694232 /nfs/dbraw/zinc/69/42/32/531694232.db2.gz FJVWUKLJJOZNBM-UHFFFAOYSA-N 1 2 397.248 2.111 20 0 GEADLO O=C(N1CC[NH+](CCOc2ccccc2Cl)CC1)C1(O)CCSCC1 ZINC000155655724 531693506 /nfs/dbraw/zinc/69/35/06/531693506.db2.gz VKWWJTYUYFYAMU-UHFFFAOYSA-N 1 2 384.929 2.121 20 0 GEADLO CC(=O)N1CC[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000155928832 531707447 /nfs/dbraw/zinc/70/74/47/531707447.db2.gz SRVIVJFXEZWCLX-DLBZAZTESA-N 1 2 394.313 2.323 20 0 GEADLO O=C(C[NH+]1CCN(c2ccc(Br)cn2)CC1)N1CCCCCC1 ZINC000048059891 531726209 /nfs/dbraw/zinc/72/62/09/531726209.db2.gz CPKCBTJEESKBTE-UHFFFAOYSA-N 1 2 381.318 2.369 20 0 GEADLO O=C(Cc1ccc(Br)c(F)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000156996158 531729613 /nfs/dbraw/zinc/72/96/13/531729613.db2.gz ALTGFHFHNHTMRQ-CQSZACIVSA-N 1 2 385.277 2.454 20 0 GEADLO CN(C)C(=O)C[NH+]1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 ZINC000047532936 531714966 /nfs/dbraw/zinc/71/49/66/531714966.db2.gz ZRVMYDYSGFJKHT-UHFFFAOYSA-N 1 2 383.945 2.445 20 0 GEADLO COc1ccc([C@@H](C)NC(=O)NCC[NH+]2CCOCC2)cc1Br ZINC000047618237 531717134 /nfs/dbraw/zinc/71/71/34/531717134.db2.gz UNRGZTIUHWFJLI-GFCCVEGCSA-N 1 2 386.290 2.150 20 0 GEADLO Cn1cc(CCC[NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cn1 ZINC000047660888 531718009 /nfs/dbraw/zinc/71/80/09/531718009.db2.gz SKFQLMNAXSLJFG-UHFFFAOYSA-N 1 2 382.917 2.013 20 0 GEADLO O=C(c1ccc(Br)c(O)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000156184014 531719121 /nfs/dbraw/zinc/71/91/21/531719121.db2.gz WSHYRPLCDNNLIZ-ZDUSSCGKSA-N 1 2 383.286 2.339 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000049232581 531734038 /nfs/dbraw/zinc/73/40/38/531734038.db2.gz DIAUEUWRPBTTHP-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO COc1ccc(Br)cc1C[N@H+](C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000051471476 531741640 /nfs/dbraw/zinc/74/16/40/531741640.db2.gz MVTQCCRYAVXWMS-UHFFFAOYSA-N 1 2 395.301 2.282 20 0 GEADLO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000051471476 531741653 /nfs/dbraw/zinc/74/16/53/531741653.db2.gz MVTQCCRYAVXWMS-UHFFFAOYSA-N 1 2 395.301 2.282 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(Br)cc1)C(=O)N1CCCCC1 ZINC000051453486 531743074 /nfs/dbraw/zinc/74/30/74/531743074.db2.gz APWGSQFRDJKKPP-CQSZACIVSA-N 1 2 396.329 2.398 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1)C(=O)N1CCCCC1 ZINC000051453486 531743079 /nfs/dbraw/zinc/74/30/79/531743079.db2.gz APWGSQFRDJKKPP-CQSZACIVSA-N 1 2 396.329 2.398 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000157609734 531749964 /nfs/dbraw/zinc/74/99/64/531749964.db2.gz KJNWPAJVPLTSIV-GFCCVEGCSA-N 1 2 395.301 2.266 20 0 GEADLO CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000157562292 531747414 /nfs/dbraw/zinc/74/74/14/531747414.db2.gz YIUWUDMLNJRPCD-LBPRGKRZSA-N 1 2 392.315 2.475 20 0 GEADLO CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000157562292 531747423 /nfs/dbraw/zinc/74/74/23/531747423.db2.gz YIUWUDMLNJRPCD-LBPRGKRZSA-N 1 2 392.315 2.475 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000053218529 531758035 /nfs/dbraw/zinc/75/80/35/531758035.db2.gz ZFGZJSMUYXKWNQ-CYBMUJFWSA-N 1 2 391.896 2.211 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000053218529 531758039 /nfs/dbraw/zinc/75/80/39/531758039.db2.gz ZFGZJSMUYXKWNQ-CYBMUJFWSA-N 1 2 391.896 2.211 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000053218528 531758928 /nfs/dbraw/zinc/75/89/28/531758928.db2.gz ZFGZJSMUYXKWNQ-ZDUSSCGKSA-N 1 2 391.896 2.211 20 0 GEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000053218528 531758931 /nfs/dbraw/zinc/75/89/31/531758931.db2.gz ZFGZJSMUYXKWNQ-ZDUSSCGKSA-N 1 2 391.896 2.211 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c(Cl)c1 ZINC000053217718 531759033 /nfs/dbraw/zinc/75/90/33/531759033.db2.gz NTASIDVYUHMIRK-CQSZACIVSA-N 1 2 387.933 2.381 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c(Cl)c1 ZINC000053217718 531759042 /nfs/dbraw/zinc/75/90/42/531759042.db2.gz NTASIDVYUHMIRK-CQSZACIVSA-N 1 2 387.933 2.381 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCOc1cccc(Cl)c1Cl ZINC000056908741 531815527 /nfs/dbraw/zinc/81/55/27/531815527.db2.gz AILZEIPUTVXDTR-LBPRGKRZSA-N 1 2 376.284 2.392 20 0 GEADLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccc1Cl ZINC000057680456 531822131 /nfs/dbraw/zinc/82/21/31/531822131.db2.gz SWZWQAMAMIBMCS-MRXNPFEDSA-N 1 2 381.885 2.020 20 0 GEADLO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000162291958 531838818 /nfs/dbraw/zinc/83/88/18/531838818.db2.gz XHDWDSNCRWTLPT-RYUDHWBXSA-N 1 2 380.495 2.400 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1nc(-c2ccc(Br)cc2)no1 ZINC000162311571 531842187 /nfs/dbraw/zinc/84/21/87/531842187.db2.gz RWLAEOIWGZUHPU-GWCFXTLKSA-N 1 2 395.257 2.007 20 0 GEADLO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1nc(-c2ccc(Br)cc2)no1 ZINC000162311571 531842193 /nfs/dbraw/zinc/84/21/93/531842193.db2.gz RWLAEOIWGZUHPU-GWCFXTLKSA-N 1 2 395.257 2.007 20 0 GEADLO O=C(COc1ccc(I)cc1)NCCCCn1cc[nH+]c1 ZINC000060407884 531842507 /nfs/dbraw/zinc/84/25/07/531842507.db2.gz BBILXCHXVQXYGR-UHFFFAOYSA-N 1 2 399.232 2.463 20 0 GEADLO O=C(C[NH+]1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1)N1CCCC1 ZINC000060782320 531846552 /nfs/dbraw/zinc/84/65/52/531846552.db2.gz ONWHWGBEISZGTE-UHFFFAOYSA-N 1 2 384.307 2.303 20 0 GEADLO O[C@@H](CSc1nnc(COc2ccc(Cl)cc2)o1)C[NH+]1CCOCC1 ZINC000061716449 531855724 /nfs/dbraw/zinc/85/57/24/531855724.db2.gz ZKUOCFMRXFDODL-CYBMUJFWSA-N 1 2 385.873 2.087 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000063759260 531861074 /nfs/dbraw/zinc/86/10/74/531861074.db2.gz ANTUCMDRNDDWPH-UHFFFAOYSA-N 1 2 390.336 2.246 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000063759260 531861080 /nfs/dbraw/zinc/86/10/80/531861080.db2.gz ANTUCMDRNDDWPH-UHFFFAOYSA-N 1 2 390.336 2.246 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000063760074 531861908 /nfs/dbraw/zinc/86/19/08/531861908.db2.gz BQURCTZHNJRLJD-UHFFFAOYSA-N 1 2 376.309 2.105 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000063760074 531861912 /nfs/dbraw/zinc/86/19/12/531861912.db2.gz BQURCTZHNJRLJD-UHFFFAOYSA-N 1 2 376.309 2.105 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)CC[N@@H+]1CCOC ZINC000166024193 531875250 /nfs/dbraw/zinc/87/52/50/531875250.db2.gz HZLRMHHMBPVELU-CYBMUJFWSA-N 1 2 380.432 2.225 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)CC[N@H+]1CCOC ZINC000166024193 531875253 /nfs/dbraw/zinc/87/52/53/531875253.db2.gz HZLRMHHMBPVELU-CYBMUJFWSA-N 1 2 380.432 2.225 20 0 GEADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](C)Cc1ccc(Br)o1 ZINC000067116994 531877216 /nfs/dbraw/zinc/87/72/16/531877216.db2.gz SDYUSGZSJQJFTM-UHFFFAOYSA-N 1 2 399.245 2.023 20 0 GEADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000067116994 531877229 /nfs/dbraw/zinc/87/72/29/531877229.db2.gz SDYUSGZSJQJFTM-UHFFFAOYSA-N 1 2 399.245 2.023 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000067387133 531883967 /nfs/dbraw/zinc/88/39/67/531883967.db2.gz DTJLTDHFJQLGOR-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000067387133 531883973 /nfs/dbraw/zinc/88/39/73/531883973.db2.gz DTJLTDHFJQLGOR-NSHDSACASA-N 1 2 379.295 2.349 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649940 531886018 /nfs/dbraw/zinc/88/60/18/531886018.db2.gz VVCVVSMEEZSLLY-CYBMUJFWSA-N 1 2 390.285 2.388 20 0 GEADLO CCO[C@H](C)c1nc(C[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)cs1 ZINC000076729131 531917345 /nfs/dbraw/zinc/91/73/45/531917345.db2.gz ZDUATVTYFDTABH-CYBMUJFWSA-N 1 2 375.560 2.487 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171802824 531918159 /nfs/dbraw/zinc/91/81/59/531918159.db2.gz RKUFMSQVJNYGJU-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171802824 531918163 /nfs/dbraw/zinc/91/81/63/531918163.db2.gz RKUFMSQVJNYGJU-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171803726 531919041 /nfs/dbraw/zinc/91/90/41/531919041.db2.gz WQCLHURZCCTNPX-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@@H](Oc1ccccc1Br)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171803726 531919049 /nfs/dbraw/zinc/91/90/49/531919049.db2.gz WQCLHURZCCTNPX-CYBMUJFWSA-N 1 2 385.302 2.443 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Br)cc1 ZINC000171758832 531914830 /nfs/dbraw/zinc/91/48/30/531914830.db2.gz UOCCVAUYTPIOKO-PBHICJAKSA-N 1 2 388.265 2.371 20 0 GEADLO NC(=O)c1cccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000171779054 531915509 /nfs/dbraw/zinc/91/55/09/531915509.db2.gz OWYUGJQOWQJXKF-UHFFFAOYSA-N 1 2 376.825 2.425 20 0 GEADLO OCCO[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000172291865 531944349 /nfs/dbraw/zinc/94/43/49/531944349.db2.gz FQHAFZNAKMCERX-HNNXBMFYSA-N 1 2 396.285 2.396 20 0 GEADLO OCCO[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000172291865 531944354 /nfs/dbraw/zinc/94/43/54/531944354.db2.gz FQHAFZNAKMCERX-HNNXBMFYSA-N 1 2 396.285 2.396 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114855701 531957091 /nfs/dbraw/zinc/95/70/91/531957091.db2.gz GALPROBXMLNESY-LRDDRELGSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114855701 531957095 /nfs/dbraw/zinc/95/70/95/531957095.db2.gz GALPROBXMLNESY-LRDDRELGSA-N 1 2 383.286 2.196 20 0 GEADLO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172743273 531967244 /nfs/dbraw/zinc/96/72/44/531967244.db2.gz GGHYZGPUKSYMHZ-YESZJQIVSA-N 1 2 379.298 2.486 20 0 GEADLO C[C@@H]1CCC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC000172857755 531970381 /nfs/dbraw/zinc/97/03/81/531970381.db2.gz VNFVECAWEYDREO-BZUAXINKSA-N 1 2 384.567 2.384 20 0 GEADLO C[C@@H]1CCC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC000172857755 531970389 /nfs/dbraw/zinc/97/03/89/531970389.db2.gz VNFVECAWEYDREO-BZUAXINKSA-N 1 2 384.567 2.384 20 0 GEADLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CCO1 ZINC000172887012 531971906 /nfs/dbraw/zinc/97/19/06/531971906.db2.gz YUCQGSRBXBCJHN-CJNGLKHVSA-N 1 2 385.302 2.143 20 0 GEADLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CCO1 ZINC000172887012 531971910 /nfs/dbraw/zinc/97/19/10/531971910.db2.gz YUCQGSRBXBCJHN-CJNGLKHVSA-N 1 2 385.302 2.143 20 0 GEADLO COCC[NH+]1CCN(S(=O)(=O)c2cc(C)c(Br)cc2C)CC1 ZINC000172996012 531978709 /nfs/dbraw/zinc/97/87/09/531978709.db2.gz JZAMBJSYCMQGRW-UHFFFAOYSA-N 1 2 391.331 2.019 20 0 GEADLO C[C@@H](NC(=O)NCCc1nc(C(F)(F)F)cs1)[C@@H](C)[NH+]1CCOCC1 ZINC000173189836 531993866 /nfs/dbraw/zinc/99/38/66/531993866.db2.gz OUKOIRVWXJIKCS-GHMZBOCLSA-N 1 2 380.436 2.113 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000120349732 531981719 /nfs/dbraw/zinc/98/17/19/531981719.db2.gz CYDYIJYWDDSUKH-GFCCVEGCSA-N 1 2 382.873 2.046 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000120349732 531981725 /nfs/dbraw/zinc/98/17/25/531981725.db2.gz CYDYIJYWDDSUKH-GFCCVEGCSA-N 1 2 382.873 2.046 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC1 ZINC000120784852 531994957 /nfs/dbraw/zinc/99/49/57/531994957.db2.gz AOWWTKPDFLATOB-UHFFFAOYSA-N 1 2 377.844 2.410 20 0 GEADLO CCC(CC)[C@@H](C(=O)Nc1cc(Br)c[nH]c1=O)[NH+]1CCOCC1 ZINC000173254111 531998976 /nfs/dbraw/zinc/99/89/76/531998976.db2.gz AWCFIQISHSZSJT-AWEZNQCLSA-N 1 2 386.290 2.213 20 0 GEADLO Cc1cccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c1Br ZINC000121157162 532015518 /nfs/dbraw/zinc/01/55/18/532015518.db2.gz DMJAEIIGNAXPOM-UHFFFAOYSA-N 1 2 379.258 2.441 20 0 GEADLO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173540376 532018722 /nfs/dbraw/zinc/01/87/22/532018722.db2.gz UHRWPWYAQDAXCC-ZDUSSCGKSA-N 1 2 393.336 2.477 20 0 GEADLO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173540360 532018203 /nfs/dbraw/zinc/01/82/03/532018203.db2.gz UHRWPWYAQDAXCC-CYBMUJFWSA-N 1 2 393.336 2.477 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000121250137 532019430 /nfs/dbraw/zinc/01/94/30/532019430.db2.gz ZBBITZWABMLXGM-LLVKDONJSA-N 1 2 381.263 2.439 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173750454 532030203 /nfs/dbraw/zinc/03/02/03/532030203.db2.gz XMSUUETWTXJIBS-GFCCVEGCSA-N 1 2 379.309 2.479 20 0 GEADLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)C(=O)NCc1ccco1 ZINC000174011341 532045296 /nfs/dbraw/zinc/04/52/96/532045296.db2.gz KFUAKBKEMIYRMS-YMTOWFKASA-N 1 2 398.232 2.002 20 0 GEADLO Cc1nsc(N2CCC[N@H+](CC(=O)NCc3cccc(Cl)c3)CC2)n1 ZINC000174162314 532053489 /nfs/dbraw/zinc/05/34/89/532053489.db2.gz FLDUWRAHIJAEBP-UHFFFAOYSA-N 1 2 379.917 2.328 20 0 GEADLO Cc1nsc(N2CCC[N@@H+](CC(=O)NCc3cccc(Cl)c3)CC2)n1 ZINC000174162314 532053494 /nfs/dbraw/zinc/05/34/94/532053494.db2.gz FLDUWRAHIJAEBP-UHFFFAOYSA-N 1 2 379.917 2.328 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1c(F)cc(F)cc1F ZINC000174251394 532058594 /nfs/dbraw/zinc/05/85/94/532058594.db2.gz FSMKXAHNNNEZMK-MRXNPFEDSA-N 1 2 375.416 2.433 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3cnc(C)s3)CC2)cc1 ZINC000122166863 532059979 /nfs/dbraw/zinc/05/99/79/532059979.db2.gz CFNOTVMQTJQAAD-UHFFFAOYSA-N 1 2 381.523 2.357 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3cnc(C)s3)CC2)cc1 ZINC000122166863 532059984 /nfs/dbraw/zinc/05/99/84/532059984.db2.gz CFNOTVMQTJQAAD-UHFFFAOYSA-N 1 2 381.523 2.357 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2sc(C)cc2OC(F)F)CC1 ZINC000174389551 532062650 /nfs/dbraw/zinc/06/26/50/532062650.db2.gz LLPIKNZQRBRLMS-JTQLQIEISA-N 1 2 376.425 2.367 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2sc(C)cc2OC(F)F)CC1 ZINC000174389562 532062945 /nfs/dbraw/zinc/06/29/45/532062945.db2.gz LLPIKNZQRBRLMS-SNVBAGLBSA-N 1 2 376.425 2.367 20 0 GEADLO Cc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)n(-c2cccc(Br)c2)n1 ZINC000174500346 532067333 /nfs/dbraw/zinc/06/73/33/532067333.db2.gz AHHQYWKKYAZUDD-CQSZACIVSA-N 1 2 379.258 2.212 20 0 GEADLO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)n(-c2cccc(Br)c2)n1 ZINC000174500346 532067338 /nfs/dbraw/zinc/06/73/38/532067338.db2.gz AHHQYWKKYAZUDD-CQSZACIVSA-N 1 2 379.258 2.212 20 0 GEADLO O=C(c1cc(Br)cnc1Cl)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174483706 532066445 /nfs/dbraw/zinc/06/64/45/532066445.db2.gz MVJYLDZEPQVJOM-LBPRGKRZSA-N 1 2 388.693 2.434 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1sccc1Br ZINC000122474090 532072172 /nfs/dbraw/zinc/07/21/72/532072172.db2.gz GCDOVCAAOMQOBC-MNOVXSKESA-N 1 2 395.344 2.042 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1sccc1Br ZINC000122474090 532072173 /nfs/dbraw/zinc/07/21/73/532072173.db2.gz GCDOVCAAOMQOBC-MNOVXSKESA-N 1 2 395.344 2.042 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C[C@@H](C)O ZINC000122766555 532082814 /nfs/dbraw/zinc/08/28/14/532082814.db2.gz ZGWBDOXBWOBMBU-VXGBXAGGSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000122766555 532082809 /nfs/dbraw/zinc/08/28/09/532082809.db2.gz ZGWBDOXBWOBMBU-VXGBXAGGSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000122768317 532082946 /nfs/dbraw/zinc/08/29/46/532082946.db2.gz CDDLQCQFNOPNSX-OCCSQVGLSA-N 1 2 380.432 2.171 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C[C@@H](C)O ZINC000122768317 532082954 /nfs/dbraw/zinc/08/29/54/532082954.db2.gz CDDLQCQFNOPNSX-OCCSQVGLSA-N 1 2 380.432 2.171 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000175264254 532096457 /nfs/dbraw/zinc/09/64/57/532096457.db2.gz AEAISHQAIBKMGO-JTQLQIEISA-N 1 2 375.252 2.408 20 0 GEADLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1nnc(-c2ccc(Br)o2)o1 ZINC000123512936 532101751 /nfs/dbraw/zinc/10/17/51/532101751.db2.gz SOZLLPDMJDNDPI-AWEZNQCLSA-N 1 2 388.218 2.150 20 0 GEADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000175397768 532101823 /nfs/dbraw/zinc/10/18/23/532101823.db2.gz MYCKOUCVRPTAOZ-OWJWWREXSA-N 1 2 380.535 2.395 20 0 GEADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000175397768 532101827 /nfs/dbraw/zinc/10/18/27/532101827.db2.gz MYCKOUCVRPTAOZ-OWJWWREXSA-N 1 2 380.535 2.395 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cncc(I)c1 ZINC000123713228 532106688 /nfs/dbraw/zinc/10/66/88/532106688.db2.gz XJIDGJKLMNFCSW-UHFFFAOYSA-N 1 2 384.221 2.469 20 0 GEADLO O=S(=O)(CC[NH+]1CCC(n2cncn2)CC1)c1cccc(Br)c1 ZINC000175613735 532109333 /nfs/dbraw/zinc/10/93/33/532109333.db2.gz NSYNEVPQWWDHCS-UHFFFAOYSA-N 1 2 399.314 2.151 20 0 GEADLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000175657240 532110898 /nfs/dbraw/zinc/11/08/98/532110898.db2.gz XONYHMFVHXOYAE-DOMZBBRYSA-N 1 2 376.316 2.458 20 0 GEADLO C[C@@H](O)[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000175657240 532110903 /nfs/dbraw/zinc/11/09/03/532110903.db2.gz XONYHMFVHXOYAE-DOMZBBRYSA-N 1 2 376.316 2.458 20 0 GEADLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000124282991 532117839 /nfs/dbraw/zinc/11/78/39/532117839.db2.gz CHFJUPVLBJIKSD-FZMZJTMJSA-N 1 2 379.869 2.086 20 0 GEADLO O=S(=O)(Cc1cc(Cl)ccc1F)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000124369790 532119506 /nfs/dbraw/zinc/11/95/06/532119506.db2.gz ANPSCTUVKVUJDG-INIZCTEOSA-N 1 2 390.908 2.496 20 0 GEADLO C[C@H](C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1)[NH+]1CCN(C)CC1 ZINC000124553614 532123874 /nfs/dbraw/zinc/12/38/74/532123874.db2.gz XNXPQNYBBWECQA-QWHCGFSZSA-N 1 2 386.309 2.271 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000176049357 532124108 /nfs/dbraw/zinc/12/41/08/532124108.db2.gz UNQJQYGIEFECQY-UHFFFAOYSA-N 1 2 396.329 2.052 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000176049357 532124110 /nfs/dbraw/zinc/12/41/10/532124110.db2.gz UNQJQYGIEFECQY-UHFFFAOYSA-N 1 2 396.329 2.052 20 0 GEADLO C[C@H](NC(=O)N(C)Cc1cc(Br)cn1C)[C@H](C)[NH+]1CCOCC1 ZINC000125270794 532134231 /nfs/dbraw/zinc/13/42/31/532134231.db2.gz HMWTTXXAMCHKJZ-STQMWFEESA-N 1 2 387.322 2.038 20 0 GEADLO Cc1cc(NC(=O)C[N@H+](C)[C@H](CO)c2cccc(Br)c2)n(C)n1 ZINC000125578409 532137986 /nfs/dbraw/zinc/13/79/86/532137986.db2.gz UUPHEMYCNIOIJU-CQSZACIVSA-N 1 2 381.274 2.095 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)n(C)n1 ZINC000125578409 532137992 /nfs/dbraw/zinc/13/79/92/532137992.db2.gz UUPHEMYCNIOIJU-CQSZACIVSA-N 1 2 381.274 2.095 20 0 GEADLO O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)Nc1ccccc1Br ZINC000125783339 532142545 /nfs/dbraw/zinc/14/25/45/532142545.db2.gz SYIPXCOUAHRVHN-DOMZBBRYSA-N 1 2 380.286 2.378 20 0 GEADLO O=C(C[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)Nc1ccccc1Br ZINC000125783339 532142549 /nfs/dbraw/zinc/14/25/49/532142549.db2.gz SYIPXCOUAHRVHN-DOMZBBRYSA-N 1 2 380.286 2.378 20 0 GEADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000125928966 532144210 /nfs/dbraw/zinc/14/42/10/532144210.db2.gz WRHCPIFWJXYEAT-SWLSCSKDSA-N 1 2 398.301 2.447 20 0 GEADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000125928966 532144213 /nfs/dbraw/zinc/14/42/13/532144213.db2.gz WRHCPIFWJXYEAT-SWLSCSKDSA-N 1 2 398.301 2.447 20 0 GEADLO O=C(COc1ccc2cc(Br)ccc2c1)N1CC[NH+](CCO)CC1 ZINC000128795673 532168324 /nfs/dbraw/zinc/16/83/24/532168324.db2.gz VUXUYJGQQJNUTM-UHFFFAOYSA-N 1 2 393.281 2.118 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cccnc1Br ZINC000177378250 532169837 /nfs/dbraw/zinc/16/98/37/532169837.db2.gz NZNUFSXSISRKCZ-UHFFFAOYSA-N 1 2 377.242 2.006 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1CCSC2(CCCCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000176929108 532155898 /nfs/dbraw/zinc/15/58/98/532155898.db2.gz SLRPBDGYDYMWCL-HOTGVXAUSA-N 1 2 388.599 2.162 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1CCSC2(CCCCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000176929108 532155904 /nfs/dbraw/zinc/15/59/04/532155904.db2.gz SLRPBDGYDYMWCL-HOTGVXAUSA-N 1 2 388.599 2.162 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000128208418 532162689 /nfs/dbraw/zinc/16/26/89/532162689.db2.gz RFWYLUAPPKVJHK-SNVBAGLBSA-N 1 2 375.252 2.423 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000128208418 532162694 /nfs/dbraw/zinc/16/26/94/532162694.db2.gz RFWYLUAPPKVJHK-SNVBAGLBSA-N 1 2 375.252 2.423 20 0 GEADLO CN(Cc1cc(Cl)cn1C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000128346800 532163441 /nfs/dbraw/zinc/16/34/41/532163441.db2.gz LAGJEFKYDJNCIO-KRWDZBQOSA-N 1 2 386.949 2.028 20 0 GEADLO COCC[N@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000177684457 532178527 /nfs/dbraw/zinc/17/85/27/532178527.db2.gz ZVTGWLXERVHVDY-GFCCVEGCSA-N 1 2 380.279 2.224 20 0 GEADLO COCC[N@@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000177684457 532178529 /nfs/dbraw/zinc/17/85/29/532178529.db2.gz ZVTGWLXERVHVDY-GFCCVEGCSA-N 1 2 380.279 2.224 20 0 GEADLO COCC[N@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000177684432 532178780 /nfs/dbraw/zinc/17/87/80/532178780.db2.gz JDAKCYHCCZHCOG-CQSZACIVSA-N 1 2 380.279 2.224 20 0 GEADLO COCC[N@@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000177684432 532178784 /nfs/dbraw/zinc/17/87/84/532178784.db2.gz JDAKCYHCCZHCOG-CQSZACIVSA-N 1 2 380.279 2.224 20 0 GEADLO O=C(Nc1c[nH]cc(Br)c1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000129709471 532182806 /nfs/dbraw/zinc/18/28/06/532182806.db2.gz RAGGAVZNHCUWEM-OAHLLOKOSA-N 1 2 392.253 2.389 20 0 GEADLO O=C(Nc1c[nH]cc(Br)c1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000129709471 532182810 /nfs/dbraw/zinc/18/28/10/532182810.db2.gz RAGGAVZNHCUWEM-OAHLLOKOSA-N 1 2 392.253 2.389 20 0 GEADLO Cc1c(Cl)cc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000177807505 532183279 /nfs/dbraw/zinc/18/32/79/532183279.db2.gz OTCZJEMMNAZXJD-CYBMUJFWSA-N 1 2 376.284 2.459 20 0 GEADLO O=C(CNC(=O)c1cccc(Br)c1)NCc1ccn2cc[nH+]c2c1 ZINC000178065215 532191665 /nfs/dbraw/zinc/19/16/65/532191665.db2.gz MIYMFAYSYGRWGA-UHFFFAOYSA-N 1 2 387.237 2.143 20 0 GEADLO O=C(CSc1n[nH]c(=S)s1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178234373 532197201 /nfs/dbraw/zinc/19/72/01/532197201.db2.gz KELCSJVQXFCTKX-UHFFFAOYSA-N 1 2 384.527 2.402 20 0 GEADLO C[C@@H]1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000131472964 532197741 /nfs/dbraw/zinc/19/77/41/532197741.db2.gz SGXLTTURYHMEIU-RISCZKNCSA-N 1 2 394.273 2.459 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)Nc1ccc(F)cc1Br ZINC000178034850 532190402 /nfs/dbraw/zinc/19/04/02/532190402.db2.gz IAVBBVNWOHLSGO-UHFFFAOYSA-N 1 2 391.200 2.491 20 0 GEADLO Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1C ZINC000131911094 532206896 /nfs/dbraw/zinc/20/68/96/532206896.db2.gz DAWJNJJFGKCLLX-UHFFFAOYSA-N 1 2 379.448 2.254 20 0 GEADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(Br)c(C(F)(F)F)c1 ZINC000178602279 532206989 /nfs/dbraw/zinc/20/69/89/532206989.db2.gz JILYBSYSTNQLRK-LLVKDONJSA-N 1 2 392.219 2.198 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000132279424 532212896 /nfs/dbraw/zinc/21/28/96/532212896.db2.gz FVFNPLFPMBXIHP-UHFFFAOYSA-N 1 2 386.901 2.028 20 0 GEADLO C[C@@H](C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)[NH+]1CCSCC1 ZINC000132366393 532213706 /nfs/dbraw/zinc/21/37/06/532213706.db2.gz SQOOAGPHPOQTIA-ZFWWWQNUSA-N 1 2 381.929 2.389 20 0 GEADLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CCS1 ZINC000132401990 532214624 /nfs/dbraw/zinc/21/46/24/532214624.db2.gz IOFWXSOLKAZHKI-HNNXBMFYSA-N 1 2 380.905 2.328 20 0 GEADLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CCS1 ZINC000132401990 532214630 /nfs/dbraw/zinc/21/46/30/532214630.db2.gz IOFWXSOLKAZHKI-HNNXBMFYSA-N 1 2 380.905 2.328 20 0 GEADLO Cc1cccc2[nH+]c(CNC(=O)Nc3cc(Br)c(=O)n(C)c3)cn21 ZINC000178965472 532219249 /nfs/dbraw/zinc/21/92/49/532219249.db2.gz NHILGQNYIPMNQT-UHFFFAOYSA-N 1 2 390.241 2.426 20 0 GEADLO O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)N1CC[NH+](CCO)CC1 ZINC000133126155 532227949 /nfs/dbraw/zinc/22/79/49/532227949.db2.gz GWWNLDHPZJTFMU-UHFFFAOYSA-N 1 2 381.782 2.423 20 0 GEADLO O=C(NCCNC(=O)C1CC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000133425274 532234305 /nfs/dbraw/zinc/23/43/05/532234305.db2.gz DDVFESFNRCJLDO-MRXNPFEDSA-N 1 2 394.313 2.228 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000179541705 532235166 /nfs/dbraw/zinc/23/51/66/532235166.db2.gz FEQTYGJESAUSMY-UHFFFAOYSA-N 1 2 375.281 2.223 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179541705 532235168 /nfs/dbraw/zinc/23/51/68/532235168.db2.gz FEQTYGJESAUSMY-UHFFFAOYSA-N 1 2 375.281 2.223 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)c1cc(I)c(F)cc1F ZINC000178998983 532220713 /nfs/dbraw/zinc/22/07/13/532220713.db2.gz AZLPHTDJKRKUEU-UHFFFAOYSA-N 1 2 377.132 2.265 20 0 GEADLO C[NH2+][C@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C1 ZINC000133719327 532241144 /nfs/dbraw/zinc/24/11/44/532241144.db2.gz OFPXNRRNBGMJGJ-HNNXBMFYSA-N 1 2 379.507 2.373 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)sc1Br ZINC000180107349 532257957 /nfs/dbraw/zinc/25/79/57/532257957.db2.gz DQLKSKXTLOGJNN-CBAPKCEASA-N 1 2 380.333 2.118 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)sc1Br ZINC000180107349 532257959 /nfs/dbraw/zinc/25/79/59/532257959.db2.gz DQLKSKXTLOGJNN-CBAPKCEASA-N 1 2 380.333 2.118 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)CCCn2cc[nH+]c2)cc1Cl ZINC000134550488 532258862 /nfs/dbraw/zinc/25/88/62/532258862.db2.gz CTZRKJLJHDSYMG-UHFFFAOYSA-N 1 2 388.852 2.345 20 0 GEADLO CN(CC(=O)NCCCNc1cccc[nH+]1)C(=O)c1ccc(Br)o1 ZINC000136208408 532282896 /nfs/dbraw/zinc/28/28/96/532282896.db2.gz ZAANYFQFPQCPFB-UHFFFAOYSA-N 1 2 395.257 2.128 20 0 GEADLO COC(=O)c1cc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c[nH]1 ZINC000136967151 532288468 /nfs/dbraw/zinc/28/84/68/532288468.db2.gz CWGQIGJFUVMZDM-CQSZACIVSA-N 1 2 380.242 2.222 20 0 GEADLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c[nH]1 ZINC000136967151 532288473 /nfs/dbraw/zinc/28/84/73/532288473.db2.gz CWGQIGJFUVMZDM-CQSZACIVSA-N 1 2 380.242 2.222 20 0 GEADLO Cc1c([C@H](C)[NH2+]CCS(=O)(=O)NC(C)C)nnn1-c1ccc(Cl)cc1 ZINC000180466286 532273190 /nfs/dbraw/zinc/27/31/90/532273190.db2.gz IKTPRFGGNTXQIV-LBPRGKRZSA-N 1 2 385.921 2.208 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139009287 532292137 /nfs/dbraw/zinc/29/21/37/532292137.db2.gz BZBMDWPLGZACCE-DOMZBBRYSA-N 1 2 395.301 2.266 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139009287 532292140 /nfs/dbraw/zinc/29/21/40/532292140.db2.gz BZBMDWPLGZACCE-DOMZBBRYSA-N 1 2 395.301 2.266 20 0 GEADLO CCc1nc(C[N@H+](C)CCOc2ccc(S(=O)(=O)N(C)C)cc2)cs1 ZINC000138911812 532292429 /nfs/dbraw/zinc/29/24/29/532292429.db2.gz JQZIBBMLLFOPBD-UHFFFAOYSA-N 1 2 383.539 2.467 20 0 GEADLO CCc1nc(C[N@@H+](C)CCOc2ccc(S(=O)(=O)N(C)C)cc2)cs1 ZINC000138911812 532292433 /nfs/dbraw/zinc/29/24/33/532292433.db2.gz JQZIBBMLLFOPBD-UHFFFAOYSA-N 1 2 383.539 2.467 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)NCc2cn3ccccc3[nH+]2)ccc1Cl ZINC000139587942 532292697 /nfs/dbraw/zinc/29/26/97/532292697.db2.gz LFEFJUFNERXNLN-UHFFFAOYSA-N 1 2 378.841 2.289 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ncc(Br)s3)C2=O)n(C)n1 ZINC000181190345 532293009 /nfs/dbraw/zinc/29/30/09/532293009.db2.gz POGPSXMDQAXRKN-ZJUUUORDSA-N 1 2 384.303 2.404 20 0 GEADLO O=C(CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1)Nc1nccs1 ZINC000140455677 532293501 /nfs/dbraw/zinc/29/35/01/532293501.db2.gz AJEVSLDWSQRLEZ-UHFFFAOYSA-N 1 2 380.901 2.432 20 0 GEADLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181295243 532295133 /nfs/dbraw/zinc/29/51/33/532295133.db2.gz NPXJHPCLEMFCQR-RISCZKNCSA-N 1 2 382.810 2.421 20 0 GEADLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181295243 532295135 /nfs/dbraw/zinc/29/51/35/532295135.db2.gz NPXJHPCLEMFCQR-RISCZKNCSA-N 1 2 382.810 2.421 20 0 GEADLO CC(C)[C@@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)[NH+]1CCOCC1 ZINC000150018060 532300549 /nfs/dbraw/zinc/30/05/49/532300549.db2.gz PAZYDHHKMYPUGU-GFCCVEGCSA-N 1 2 385.306 2.136 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000181567378 532302284 /nfs/dbraw/zinc/30/22/84/532302284.db2.gz XBZNYLYBABBOFC-CQSZACIVSA-N 1 2 382.917 2.254 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)n(C)nc2-c2ccccc2)C1 ZINC000181567378 532302288 /nfs/dbraw/zinc/30/22/88/532302288.db2.gz XBZNYLYBABBOFC-CQSZACIVSA-N 1 2 382.917 2.254 20 0 GEADLO CCOCC[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000181643261 532303989 /nfs/dbraw/zinc/30/39/89/532303989.db2.gz CMMKLFWFTNYMBM-UHFFFAOYSA-N 1 2 381.325 2.477 20 0 GEADLO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000181690023 532305422 /nfs/dbraw/zinc/30/54/22/532305422.db2.gz NIBXFMADSPJFJT-CYBMUJFWSA-N 1 2 375.281 2.062 20 0 GEADLO Cc1cc2cc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)oc2c(Br)c1 ZINC000181767616 532305629 /nfs/dbraw/zinc/30/56/29/532305629.db2.gz YVJHKJLNXRPUML-CYBMUJFWSA-N 1 2 378.270 2.233 20 0 GEADLO CS(=O)(=O)C[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000181764393 532305853 /nfs/dbraw/zinc/30/58/53/532305853.db2.gz STFNUGNUZMBGTB-MRXNPFEDSA-N 1 2 378.519 2.008 20 0 GEADLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cc(F)ccc3Br)C2)CC1 ZINC000137694365 532290166 /nfs/dbraw/zinc/29/01/66/532290166.db2.gz UMGCVVMNBOAPSG-INIZCTEOSA-N 1 2 398.320 2.369 20 0 GEADLO NS(=O)(=O)c1cccc(NCc2c[nH+]c3ccc(Br)cn23)c1 ZINC000182113347 532309772 /nfs/dbraw/zinc/30/97/72/532309772.db2.gz XNAYMAUXIZUAGD-UHFFFAOYSA-N 1 2 381.255 2.356 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CC[NH+](CCCO)CC1 ZINC000182441408 532313131 /nfs/dbraw/zinc/31/31/31/532313131.db2.gz KOKUOYNDFNWSCJ-UHFFFAOYSA-N 1 2 386.823 2.048 20 0 GEADLO C[C@@](O)(C[NH+]1CCN(c2cccs2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000182455293 532313776 /nfs/dbraw/zinc/31/37/76/532313776.db2.gz JYWRCNICRKZAFW-GOSISDBHSA-N 1 2 380.535 2.181 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182486019 532314327 /nfs/dbraw/zinc/31/43/27/532314327.db2.gz MWXNBVGPSXBKIS-JTQLQIEISA-N 1 2 391.260 2.485 20 0 GEADLO C[C@@H]([NH2+]Cc1nc(CS(C)(=O)=O)no1)c1ccc(OC(F)(F)F)cc1 ZINC000182518923 532314484 /nfs/dbraw/zinc/31/44/84/532314484.db2.gz XEBGEEJPTJYXCG-SECBINFHSA-N 1 2 379.360 2.364 20 0 GEADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000185100226 532336806 /nfs/dbraw/zinc/33/68/06/532336806.db2.gz ITKNDUGPNHIDQF-CANCMXDXSA-N 1 2 382.917 2.222 20 0 GEADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000185100226 532336807 /nfs/dbraw/zinc/33/68/07/532336807.db2.gz ITKNDUGPNHIDQF-CANCMXDXSA-N 1 2 382.917 2.222 20 0 GEADLO CSc1nc(=O)[nH]c(C)c1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185384704 532337786 /nfs/dbraw/zinc/33/77/86/532337786.db2.gz YEZBAVRRYHXCGP-LBPRGKRZSA-N 1 2 378.523 2.381 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000185777284 532338583 /nfs/dbraw/zinc/33/85/83/532338583.db2.gz WEERTJMYCVJDMK-ZDUSSCGKSA-N 1 2 390.958 2.405 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CC1 ZINC000185797112 532338731 /nfs/dbraw/zinc/33/87/31/532338731.db2.gz DQOGHKUTINEUJI-LBPRGKRZSA-N 1 2 378.947 2.139 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000185973768 532339354 /nfs/dbraw/zinc/33/93/54/532339354.db2.gz WRNPKCRGSMGRGU-UHFFFAOYSA-N 1 2 388.287 2.365 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)cc1)NCc1ccn2cc[nH+]c2c1 ZINC000186130786 532339781 /nfs/dbraw/zinc/33/97/81/532339781.db2.gz QJLBCOCOIFZIKZ-UHFFFAOYSA-N 1 2 387.237 2.143 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)nc1-c1ccc(Cl)cc1 ZINC000186528154 532341076 /nfs/dbraw/zinc/34/10/76/532341076.db2.gz XPBJYHHUIQOLGE-KBPBESRZSA-N 1 2 381.885 2.138 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)nc1-c1ccc(Cl)cc1 ZINC000186528154 532341077 /nfs/dbraw/zinc/34/10/77/532341077.db2.gz XPBJYHHUIQOLGE-KBPBESRZSA-N 1 2 381.885 2.138 20 0 GEADLO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000187136869 532343465 /nfs/dbraw/zinc/34/34/65/532343465.db2.gz HCHPYOVIOGBAII-UHFFFAOYSA-N 1 2 384.249 2.142 20 0 GEADLO CC1([C@@H]2CCC[N@@H+]([C@H](C(N)=O)c3cccc(Br)c3)C2)OCCO1 ZINC000183877979 532329585 /nfs/dbraw/zinc/32/95/85/532329585.db2.gz TVMGGNMNGPPCDK-HIFRSBDPSA-N 1 2 383.286 2.451 20 0 GEADLO CC1([C@@H]2CCC[N@H+]([C@H](C(N)=O)c3cccc(Br)c3)C2)OCCO1 ZINC000183877979 532329586 /nfs/dbraw/zinc/32/95/86/532329586.db2.gz TVMGGNMNGPPCDK-HIFRSBDPSA-N 1 2 383.286 2.451 20 0 GEADLO CCCCN(C(=O)C[NH2+]C(C)(C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000183969610 532330491 /nfs/dbraw/zinc/33/04/91/532330491.db2.gz FLBHFTJUUTYTFG-AWEZNQCLSA-N 1 2 387.571 2.092 20 0 GEADLO O=S(=O)(c1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)cc1)C(F)F ZINC000184073626 532330718 /nfs/dbraw/zinc/33/07/18/532330718.db2.gz WDOGXDZLZBCIOO-UHFFFAOYSA-N 1 2 375.437 2.312 20 0 GEADLO O=S(=O)(c1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)cc1)C(F)F ZINC000184073626 532330719 /nfs/dbraw/zinc/33/07/19/532330719.db2.gz WDOGXDZLZBCIOO-UHFFFAOYSA-N 1 2 375.437 2.312 20 0 GEADLO CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000185025690 532336544 /nfs/dbraw/zinc/33/65/44/532336544.db2.gz NQRAGYYOLDOOSK-CYBMUJFWSA-N 1 2 380.539 2.329 20 0 GEADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)s1 ZINC000185035849 532336575 /nfs/dbraw/zinc/33/65/75/532336575.db2.gz KXPKXGLVSQPOSZ-LBPRGKRZSA-N 1 2 382.511 2.005 20 0 GEADLO Cc1ccc(Br)nc1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000187942122 532346085 /nfs/dbraw/zinc/34/60/85/532346085.db2.gz UEODBCKNXMNXHX-AWEZNQCLSA-N 1 2 382.302 2.479 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000188807827 532349664 /nfs/dbraw/zinc/34/96/64/532349664.db2.gz BXUTWWQJHQKIGY-LBPRGKRZSA-N 1 2 388.917 2.008 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000188807827 532349665 /nfs/dbraw/zinc/34/96/65/532349665.db2.gz BXUTWWQJHQKIGY-LBPRGKRZSA-N 1 2 388.917 2.008 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCOc1cc(F)cc(Br)c1 ZINC000189003629 532350501 /nfs/dbraw/zinc/35/05/01/532350501.db2.gz NPTMSOYUPVZJPG-KGLIPLIRSA-N 1 2 376.222 2.229 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000189003629 532350502 /nfs/dbraw/zinc/35/05/02/532350502.db2.gz NPTMSOYUPVZJPG-KGLIPLIRSA-N 1 2 376.222 2.229 20 0 GEADLO COC[C@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@H](C)O1 ZINC000189410155 532352139 /nfs/dbraw/zinc/35/21/39/532352139.db2.gz DJUDELHAWYKGJL-DZGCQCFKSA-N 1 2 385.302 2.143 20 0 GEADLO COC[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@H](C)O1 ZINC000189410155 532352140 /nfs/dbraw/zinc/35/21/40/532352140.db2.gz DJUDELHAWYKGJL-DZGCQCFKSA-N 1 2 385.302 2.143 20 0 GEADLO Cc1cc(Br)c2c(c1)CN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)CC2 ZINC000189520465 532352480 /nfs/dbraw/zinc/35/24/80/532352480.db2.gz XSKXXNHDGKADEQ-CQSZACIVSA-N 1 2 380.330 2.278 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000189696909 532353359 /nfs/dbraw/zinc/35/33/59/532353359.db2.gz RTAWCAZSZNXWHH-AWEZNQCLSA-N 1 2 387.311 2.204 20 0 GEADLO CCN1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1=O ZINC000190182035 532355207 /nfs/dbraw/zinc/35/52/07/532355207.db2.gz ZFWZAEQAKYCJNR-ZDUSSCGKSA-N 1 2 382.302 2.181 20 0 GEADLO CCN1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1=O ZINC000190182035 532355208 /nfs/dbraw/zinc/35/52/08/532355208.db2.gz ZFWZAEQAKYCJNR-ZDUSSCGKSA-N 1 2 382.302 2.181 20 0 GEADLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191306643 532360398 /nfs/dbraw/zinc/36/03/98/532360398.db2.gz JSWUQAVRAGXFCA-LLVKDONJSA-N 1 2 379.452 2.230 20 0 GEADLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191306643 532360399 /nfs/dbraw/zinc/36/03/99/532360399.db2.gz JSWUQAVRAGXFCA-LLVKDONJSA-N 1 2 379.452 2.230 20 0 GEADLO CCN(CC)c1nc2sc(C(=O)N3CC[N@H+](CCO)[C@H](C)C3)cc2s1 ZINC000187277432 532343935 /nfs/dbraw/zinc/34/39/35/532343935.db2.gz JZBUWHPTZJDQJW-GFCCVEGCSA-N 1 2 382.555 2.343 20 0 GEADLO CCN(CC)c1nc2sc(C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)cc2s1 ZINC000187277432 532343936 /nfs/dbraw/zinc/34/39/36/532343936.db2.gz JZBUWHPTZJDQJW-GFCCVEGCSA-N 1 2 382.555 2.343 20 0 GEADLO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ncc(Br)cc1F ZINC000187346309 532344115 /nfs/dbraw/zinc/34/41/15/532344115.db2.gz VCZRVQQGAZOCNT-TVQRCGJNSA-N 1 2 382.237 2.173 20 0 GEADLO C[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H](C(N)=O)C1 ZINC000187440541 532344405 /nfs/dbraw/zinc/34/44/05/532344405.db2.gz MIEYXRHSPYWUHT-GWCFXTLKSA-N 1 2 388.331 2.055 20 0 GEADLO C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H](C(N)=O)C1 ZINC000187440541 532344406 /nfs/dbraw/zinc/34/44/06/532344406.db2.gz MIEYXRHSPYWUHT-GWCFXTLKSA-N 1 2 388.331 2.055 20 0 GEADLO CS(=O)(=O)N1CCCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000515798800 532372061 /nfs/dbraw/zinc/37/20/61/532372061.db2.gz OEPPKUYNMYIXBV-UHFFFAOYSA-N 1 2 384.299 2.469 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)Cc1cnccn1 ZINC000294628268 532372130 /nfs/dbraw/zinc/37/21/30/532372130.db2.gz AGQANUDVVYDKOS-LBPRGKRZSA-N 1 2 393.285 2.384 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+](C)Cc1cnccn1 ZINC000294628268 532372133 /nfs/dbraw/zinc/37/21/33/532372133.db2.gz AGQANUDVVYDKOS-LBPRGKRZSA-N 1 2 393.285 2.384 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000372139888 532373333 /nfs/dbraw/zinc/37/33/33/532373333.db2.gz HGCFAILRSGCACA-ZDUSSCGKSA-N 1 2 391.269 2.308 20 0 GEADLO O=C(CCCSc1ccc(Cl)cc1)N(CCO)CC[NH+]1CCOCC1 ZINC000677444477 532373931 /nfs/dbraw/zinc/37/39/31/532373931.db2.gz FTPCOZGMNNCBTP-UHFFFAOYSA-N 1 2 386.945 2.365 20 0 GEADLO O=CN1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000294749573 532378635 /nfs/dbraw/zinc/37/86/35/532378635.db2.gz YVBFJSVDYAFJKX-KRWDZBQOSA-N 1 2 394.313 2.277 20 0 GEADLO COc1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)sc1Br ZINC000677504791 532375855 /nfs/dbraw/zinc/37/58/55/532375855.db2.gz VPPIXPWNCJGYQK-LLVKDONJSA-N 1 2 389.315 2.456 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CCS(=O)(=O)CC[C@H]1C)c1ccsc1 ZINC000191973945 532377370 /nfs/dbraw/zinc/37/73/70/532377370.db2.gz ZFNQZPVLHKUWON-ZBFHGGJFSA-N 1 2 387.571 2.350 20 0 GEADLO Cc1cnc(N2CCN(c3cc[nH+]c(C)n3)CC2)c(I)c1 ZINC000425244501 532377674 /nfs/dbraw/zinc/37/76/74/532377674.db2.gz HMJZWKAPCVNMCY-UHFFFAOYSA-N 1 2 395.248 2.420 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2c(F)cccc2Br)C1 ZINC000278401795 532377896 /nfs/dbraw/zinc/37/78/96/532377896.db2.gz WQHWOEYSMUPIEI-STQMWFEESA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000278401795 532377902 /nfs/dbraw/zinc/37/79/02/532377902.db2.gz WQHWOEYSMUPIEI-STQMWFEESA-N 1 2 376.266 2.434 20 0 GEADLO C[C@@H](CNC(=O)Cc1ccc(I)cc1)Cn1cc[nH+]c1 ZINC000191499782 532361271 /nfs/dbraw/zinc/36/12/71/532361271.db2.gz CTZAEGBEPQHABO-LBPRGKRZSA-N 1 2 383.233 2.483 20 0 GEADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1N1CCOCC1 ZINC000191609353 532361551 /nfs/dbraw/zinc/36/15/51/532361551.db2.gz IBXCGEYNQOTZHY-INIZCTEOSA-N 1 2 396.329 2.338 20 0 GEADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1N1CCOCC1 ZINC000191609353 532361552 /nfs/dbraw/zinc/36/15/52/532361552.db2.gz IBXCGEYNQOTZHY-INIZCTEOSA-N 1 2 396.329 2.338 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCn3cc(C)[nH+]c3C2)c1 ZINC000589907382 532362949 /nfs/dbraw/zinc/36/29/49/532362949.db2.gz ROBDRTCPLPBLFU-UHFFFAOYSA-N 1 2 383.857 2.226 20 0 GEADLO O=S(=O)(c1cnc(Cl)c(Br)c1)N1CC[NH+](CC2CC2)CC1 ZINC000294552560 532365472 /nfs/dbraw/zinc/36/54/72/532365472.db2.gz WPHIYIGWTMNNDM-UHFFFAOYSA-N 1 2 394.722 2.214 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C[C@@H]1C ZINC000677151768 532366187 /nfs/dbraw/zinc/36/61/87/532366187.db2.gz IJGQNZVIGIKYGF-VIFPVBQESA-N 1 2 395.859 2.291 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C[C@@H]1C ZINC000677151768 532366192 /nfs/dbraw/zinc/36/61/92/532366192.db2.gz IJGQNZVIGIKYGF-VIFPVBQESA-N 1 2 395.859 2.291 20 0 GEADLO O=C(CSc1ccc(Cl)cc1)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000371991703 532366761 /nfs/dbraw/zinc/36/67/61/532366761.db2.gz LGDPSEWVLPTGFM-SFHVURJKSA-N 1 2 384.929 2.430 20 0 GEADLO O=C(NCCn1cc[nH+]c1)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000372541854 532395162 /nfs/dbraw/zinc/39/51/62/532395162.db2.gz BJORNMWKLNFZNV-ZDUSSCGKSA-N 1 2 378.274 2.073 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000463703948 532379996 /nfs/dbraw/zinc/37/99/96/532379996.db2.gz LTLJVNZEHWXQOB-UHFFFAOYSA-N 1 2 375.376 2.269 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCSCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000558018581 532380664 /nfs/dbraw/zinc/38/06/64/532380664.db2.gz AWZLWNIAIGOMSB-HOTGVXAUSA-N 1 2 381.929 2.167 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCSCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000558018581 532380672 /nfs/dbraw/zinc/38/06/72/532380672.db2.gz AWZLWNIAIGOMSB-HOTGVXAUSA-N 1 2 381.929 2.167 20 0 GEADLO CN(C(=O)c1cc2c(cc1Br)OCO2)C(C)(C)C[NH+]1CCOCC1 ZINC000622886619 532381109 /nfs/dbraw/zinc/38/11/09/532381109.db2.gz XPMVTTKIYZZTRU-UHFFFAOYSA-N 1 2 399.285 2.361 20 0 GEADLO CCc1nsc(N2CCC[N@H+](Cc3c(Cl)ncnc3N(C)C)CC2)n1 ZINC000278506719 532382649 /nfs/dbraw/zinc/38/26/49/532382649.db2.gz AYIBLYDIZQGHGF-UHFFFAOYSA-N 1 2 381.937 2.322 20 0 GEADLO CCc1nsc(N2CCC[N@@H+](Cc3c(Cl)ncnc3N(C)C)CC2)n1 ZINC000278506719 532382658 /nfs/dbraw/zinc/38/26/58/532382658.db2.gz AYIBLYDIZQGHGF-UHFFFAOYSA-N 1 2 381.937 2.322 20 0 GEADLO CC[C@@H](NC(=O)NC1CC[NH+](Cc2cscn2)CC1)[C@@H](O)C(F)(F)F ZINC000372322043 532385162 /nfs/dbraw/zinc/38/51/62/532385162.db2.gz RRRPUVWPSUUTGD-CHWSQXEVSA-N 1 2 380.436 2.109 20 0 GEADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000590794730 532387251 /nfs/dbraw/zinc/38/72/51/532387251.db2.gz GCEIQHLVYZITPF-OCCSQVGLSA-N 1 2 382.511 2.168 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NC[C@H](O)Cc1cccc(F)c1 ZINC000294841203 532387336 /nfs/dbraw/zinc/38/73/36/532387336.db2.gz BFDPUMPBHPHHID-LLVKDONJSA-N 1 2 380.221 2.280 20 0 GEADLO CN(C1CC1)S(=O)(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000677964083 532388453 /nfs/dbraw/zinc/38/84/53/532388453.db2.gz YYHHRESXIRPQSQ-UHFFFAOYSA-N 1 2 392.352 2.493 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCc2cccc(Br)c2)C1 ZINC000558434230 532390594 /nfs/dbraw/zinc/39/05/94/532390594.db2.gz HTVMYSXVCHBJFO-HNNXBMFYSA-N 1 2 397.313 2.383 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCc2cccc(Br)c2)C1 ZINC000558434230 532390603 /nfs/dbraw/zinc/39/06/03/532390603.db2.gz HTVMYSXVCHBJFO-HNNXBMFYSA-N 1 2 397.313 2.383 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000623932019 532390962 /nfs/dbraw/zinc/39/09/62/532390962.db2.gz VMCYXUYHHLJUKQ-KBPBESRZSA-N 1 2 387.311 2.202 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000623932019 532390967 /nfs/dbraw/zinc/39/09/67/532390967.db2.gz VMCYXUYHHLJUKQ-KBPBESRZSA-N 1 2 387.311 2.202 20 0 GEADLO NC(=O)c1csc(C[NH+]2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000678260188 532391780 /nfs/dbraw/zinc/39/17/80/532391780.db2.gz AOOVFNABRFCPRC-KRWDZBQOSA-N 1 2 379.913 2.352 20 0 GEADLO NC(=O)c1csc(CN2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000678260188 532391785 /nfs/dbraw/zinc/39/17/85/532391785.db2.gz AOOVFNABRFCPRC-KRWDZBQOSA-N 1 2 379.913 2.352 20 0 GEADLO O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCCc1cn2c([nH+]1)CCCC2 ZINC000372529643 532395906 /nfs/dbraw/zinc/39/59/06/532395906.db2.gz SFYVJINPPUFAKI-UHFFFAOYSA-N 1 2 381.885 2.005 20 0 GEADLO O=S(=O)(c1ccc(C[NH2+]Cc2nc3c(s2)CCC3)s1)N1CCOCC1 ZINC000678497648 532396442 /nfs/dbraw/zinc/39/64/42/532396442.db2.gz ZAHJHKWWMQIUKG-UHFFFAOYSA-N 1 2 399.563 2.004 20 0 GEADLO CCOC[C@H](C(=O)OC)[N@H+](C)CCC(=O)Nc1ccccc1Br ZINC000591020000 532396546 /nfs/dbraw/zinc/39/65/46/532396546.db2.gz XSOYOYSTXKVDHC-CQSZACIVSA-N 1 2 387.274 2.288 20 0 GEADLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCC(=O)Nc1ccccc1Br ZINC000591020000 532396554 /nfs/dbraw/zinc/39/65/54/532396554.db2.gz XSOYOYSTXKVDHC-CQSZACIVSA-N 1 2 387.274 2.288 20 0 GEADLO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000678628257 532398943 /nfs/dbraw/zinc/39/89/43/532398943.db2.gz HSCRKRVJYBOKSQ-GJZGRUSLSA-N 1 2 375.296 2.140 20 0 GEADLO O=C(N[C@H]1CCCc2sc(Cl)cc21)N(CCO)CC[NH+]1CCOCC1 ZINC000426077212 532402050 /nfs/dbraw/zinc/40/20/50/532402050.db2.gz DBEMWDRKDRMFAN-AWEZNQCLSA-N 1 2 387.933 2.115 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000372729874 532404504 /nfs/dbraw/zinc/40/45/04/532404504.db2.gz NRGULUGEMQADLR-IUODEOHRSA-N 1 2 385.917 2.132 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000372729874 532404505 /nfs/dbraw/zinc/40/45/05/532404505.db2.gz NRGULUGEMQADLR-IUODEOHRSA-N 1 2 385.917 2.132 20 0 GEADLO CN(c1ccc(N2CCOCC2)[nH+]c1)S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000295097709 532404731 /nfs/dbraw/zinc/40/47/31/532404731.db2.gz GSGDLAMYOTYJOQ-ZDUSSCGKSA-N 1 2 375.441 2.120 20 0 GEADLO Cc1cnc(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)s1 ZINC000295098362 532404760 /nfs/dbraw/zinc/40/47/60/532404760.db2.gz UNJWMIIGAIQTIX-OCCSQVGLSA-N 1 2 377.432 2.500 20 0 GEADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000559718469 532405192 /nfs/dbraw/zinc/40/51/92/532405192.db2.gz YKXVRJUGBSEKBC-UHFFFAOYSA-N 1 2 398.345 2.343 20 0 GEADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000559718469 532405199 /nfs/dbraw/zinc/40/51/99/532405199.db2.gz YKXVRJUGBSEKBC-UHFFFAOYSA-N 1 2 398.345 2.343 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[NH2+][C@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000559750949 532405439 /nfs/dbraw/zinc/40/54/39/532405439.db2.gz ANSKTDANAIXCTN-OAHLLOKOSA-N 1 2 378.479 2.028 20 0 GEADLO CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)n1 ZINC000517229154 532409592 /nfs/dbraw/zinc/40/95/92/532409592.db2.gz HBHDEUCEWUTLOP-ZDUSSCGKSA-N 1 2 391.317 2.489 20 0 GEADLO CN(C)c1nc(N)nc(C[N@H+]2CCC[C@H]2Cc2ccccc2Br)n1 ZINC000517229154 532409600 /nfs/dbraw/zinc/40/96/00/532409600.db2.gz HBHDEUCEWUTLOP-ZDUSSCGKSA-N 1 2 391.317 2.489 20 0 GEADLO O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427040679 532409989 /nfs/dbraw/zinc/40/99/89/532409989.db2.gz KTLCFGYHJNQGPY-JTQLQIEISA-N 1 2 397.660 2.369 20 0 GEADLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@@]2(CCOC2)O1 ZINC000280244209 532410198 /nfs/dbraw/zinc/41/01/98/532410198.db2.gz BAYFSZQSJFEQLC-ZUZCIYMTSA-N 1 2 384.230 2.472 20 0 GEADLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@@]2(CCOC2)O1 ZINC000280244209 532410207 /nfs/dbraw/zinc/41/02/07/532410207.db2.gz BAYFSZQSJFEQLC-ZUZCIYMTSA-N 1 2 384.230 2.472 20 0 GEADLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000295152334 532408979 /nfs/dbraw/zinc/40/89/79/532408979.db2.gz BWDPBNLRLHCVEM-UHFFFAOYSA-N 1 2 380.367 2.403 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)o1 ZINC000295156035 532411986 /nfs/dbraw/zinc/41/19/86/532411986.db2.gz GQNXDRYELNUGTK-JQWIXIFHSA-N 1 2 388.251 2.289 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)o1 ZINC000295156035 532411992 /nfs/dbraw/zinc/41/19/92/532411992.db2.gz GQNXDRYELNUGTK-JQWIXIFHSA-N 1 2 388.251 2.289 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)C4CC4)cc3)sc2C1 ZINC000560085964 532413834 /nfs/dbraw/zinc/41/38/34/532413834.db2.gz AJAKAKAQNMJQDY-UHFFFAOYSA-N 1 2 377.491 2.319 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)C4CC4)cc3)sc2C1 ZINC000560085964 532413840 /nfs/dbraw/zinc/41/38/40/532413840.db2.gz AJAKAKAQNMJQDY-UHFFFAOYSA-N 1 2 377.491 2.319 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCc1ccc(Br)s1 ZINC000591550040 532413988 /nfs/dbraw/zinc/41/39/88/532413988.db2.gz TXWUFSFXGIYHOM-NSHDSACASA-N 1 2 376.320 2.073 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCc1ccc(Br)s1 ZINC000591550040 532413991 /nfs/dbraw/zinc/41/39/91/532413991.db2.gz TXWUFSFXGIYHOM-NSHDSACASA-N 1 2 376.320 2.073 20 0 GEADLO COc1cc(Br)c(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c(OC)c1 ZINC000295169297 532413205 /nfs/dbraw/zinc/41/32/05/532413205.db2.gz UBOWEKPMXQIUFA-RDJZCZTQSA-N 1 2 385.302 2.371 20 0 GEADLO COc1cc(Br)c(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c(OC)c1 ZINC000295169297 532413212 /nfs/dbraw/zinc/41/32/12/532413212.db2.gz UBOWEKPMXQIUFA-RDJZCZTQSA-N 1 2 385.302 2.371 20 0 GEADLO CCCn1cc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)nn1 ZINC000680403322 532413407 /nfs/dbraw/zinc/41/34/07/532413407.db2.gz SDIDSWAYMBRFQD-UHFFFAOYSA-N 1 2 391.273 2.379 20 0 GEADLO Cc1cc(CS(=O)(=O)Cc2cn3cc(Br)ccc3[nH+]2)ncn1 ZINC000427156117 532413444 /nfs/dbraw/zinc/41/34/44/532413444.db2.gz WFALMTNGOPSSMI-UHFFFAOYSA-N 1 2 381.255 2.310 20 0 GEADLO O=C(CCNS(=O)(=O)c1cccs1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000517377586 532414974 /nfs/dbraw/zinc/41/49/74/532414974.db2.gz CRNKRAZDJFVNLR-UHFFFAOYSA-N 1 2 376.463 2.241 20 0 GEADLO CC[N@H+](CCNC(=O)c1cccc(S(=O)(=O)CC)c1)CCC(F)(F)F ZINC000427211480 532416393 /nfs/dbraw/zinc/41/63/93/532416393.db2.gz WYAIOILLIRROGZ-UHFFFAOYSA-N 1 2 380.432 2.484 20 0 GEADLO CC[N@@H+](CCNC(=O)c1cccc(S(=O)(=O)CC)c1)CCC(F)(F)F ZINC000427211480 532416397 /nfs/dbraw/zinc/41/63/97/532416397.db2.gz WYAIOILLIRROGZ-UHFFFAOYSA-N 1 2 380.432 2.484 20 0 GEADLO C[C@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)c1ncc(Br)cn1 ZINC000517482709 532418644 /nfs/dbraw/zinc/41/86/44/532418644.db2.gz KQUSXVXCTHKXET-NTZNESFSSA-N 1 2 398.305 2.294 20 0 GEADLO C[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)c1ncc(Br)cn1 ZINC000517482707 532418271 /nfs/dbraw/zinc/41/82/71/532418271.db2.gz KQUSXVXCTHKXET-GVXVVHGQSA-N 1 2 398.305 2.294 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)n1 ZINC000295216745 532419959 /nfs/dbraw/zinc/41/99/59/532419959.db2.gz XIKOFODBYTUAKD-NXEZZACHSA-N 1 2 379.404 2.460 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)n1 ZINC000295216745 532419963 /nfs/dbraw/zinc/41/99/63/532419963.db2.gz XIKOFODBYTUAKD-NXEZZACHSA-N 1 2 379.404 2.460 20 0 GEADLO COC[C@@H]1C[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@@H](C)O1 ZINC000625361292 532420261 /nfs/dbraw/zinc/42/02/61/532420261.db2.gz XKISIXAIVXOBQB-WPGHFRTFSA-N 1 2 383.286 2.438 20 0 GEADLO COC[C@@H]1C[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@@H](C)O1 ZINC000625361292 532420266 /nfs/dbraw/zinc/42/02/66/532420266.db2.gz XKISIXAIVXOBQB-WPGHFRTFSA-N 1 2 383.286 2.438 20 0 GEADLO O=S1(=O)CCCN1CC[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000649695714 532422457 /nfs/dbraw/zinc/42/24/57/532422457.db2.gz GGAALISEIGSOOB-UHFFFAOYSA-N 1 2 378.325 2.151 20 0 GEADLO C[C@H](c1nccs1)[NH+]1CCN(c2cc(Br)cnc2C(N)=O)CC1 ZINC000681149431 532422460 /nfs/dbraw/zinc/42/24/60/532422460.db2.gz QWVZJGCZNUYUAU-SNVBAGLBSA-N 1 2 396.314 2.283 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccoc2Br)CC1 ZINC000193401391 532424432 /nfs/dbraw/zinc/42/44/32/532424432.db2.gz JLSYZNUPZNKOEZ-UHFFFAOYSA-N 1 2 386.290 2.058 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccoc2Br)CC1 ZINC000193401391 532424436 /nfs/dbraw/zinc/42/44/36/532424436.db2.gz JLSYZNUPZNKOEZ-UHFFFAOYSA-N 1 2 386.290 2.058 20 0 GEADLO Cc1cnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c(I)c1 ZINC000591817512 532425029 /nfs/dbraw/zinc/42/50/29/532425029.db2.gz XORYODHVFVHTFI-CYBMUJFWSA-N 1 2 387.265 2.296 20 0 GEADLO CCc1noc(CS(=O)(=O)Cc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000591832321 532426730 /nfs/dbraw/zinc/42/67/30/532426730.db2.gz YDQZSSZHZVBWBA-UHFFFAOYSA-N 1 2 385.243 2.157 20 0 GEADLO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000281600604 532427133 /nfs/dbraw/zinc/42/71/33/532427133.db2.gz AVYONENQKWRKSI-ZJUUUORDSA-N 1 2 392.258 2.296 20 0 GEADLO O=S(=O)(CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1 ZINC000681387511 532429070 /nfs/dbraw/zinc/42/90/70/532429070.db2.gz LCHUHWRXBPUPBQ-INIZCTEOSA-N 1 2 383.466 2.108 20 0 GEADLO O=C(NCCc1ccc(Br)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561010816 532427273 /nfs/dbraw/zinc/42/72/73/532427273.db2.gz NCYGUDWYPQGEFP-UHFFFAOYSA-N 1 2 387.237 2.394 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1CCc2c1ccc(F)c2Br ZINC000517903074 532430046 /nfs/dbraw/zinc/43/00/46/532430046.db2.gz NESQAIRFVJICRS-QWHCGFSZSA-N 1 2 393.216 2.462 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1CCc2c1ccc(F)c2Br ZINC000517903074 532430054 /nfs/dbraw/zinc/43/00/54/532430054.db2.gz NESQAIRFVJICRS-QWHCGFSZSA-N 1 2 393.216 2.462 20 0 GEADLO O=C(C[NH+]1CCN(C(=O)Cc2cccc(Cl)c2Cl)CC1)N1CCCC1 ZINC000193700288 532431134 /nfs/dbraw/zinc/43/11/34/532431134.db2.gz HIKNWPLZNBYWOM-UHFFFAOYSA-N 1 2 384.307 2.303 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000626168295 532435371 /nfs/dbraw/zinc/43/53/71/532435371.db2.gz ONRQARBQDAYOJO-RYUDHWBXSA-N 1 2 391.896 2.067 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000626168295 532435375 /nfs/dbraw/zinc/43/53/75/532435375.db2.gz ONRQARBQDAYOJO-RYUDHWBXSA-N 1 2 391.896 2.067 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000626168294 532435450 /nfs/dbraw/zinc/43/54/50/532435450.db2.gz ONRQARBQDAYOJO-NWDGAFQWSA-N 1 2 391.896 2.067 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000626168294 532435452 /nfs/dbraw/zinc/43/54/52/532435452.db2.gz ONRQARBQDAYOJO-NWDGAFQWSA-N 1 2 391.896 2.067 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1(C)C ZINC000295332028 532436099 /nfs/dbraw/zinc/43/60/99/532436099.db2.gz QIPANEZIEKGJLT-LBPRGKRZSA-N 1 2 379.873 2.493 20 0 GEADLO Cc1csc([C@@H](C)NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000561221338 532433857 /nfs/dbraw/zinc/43/38/57/532433857.db2.gz SAGVKFMMEZLDDI-CYBMUJFWSA-N 1 2 378.523 2.035 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000626166412 532434991 /nfs/dbraw/zinc/43/49/91/532434991.db2.gz VGYSZHYAWNBBJM-SNVBAGLBSA-N 1 2 396.738 2.259 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000626166412 532434995 /nfs/dbraw/zinc/43/49/95/532434995.db2.gz VGYSZHYAWNBBJM-SNVBAGLBSA-N 1 2 396.738 2.259 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000373179202 532437133 /nfs/dbraw/zinc/43/71/33/532437133.db2.gz XZOHZGNQCUNXEX-QGZVFWFLSA-N 1 2 380.901 2.182 20 0 GEADLO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000373179202 532437138 /nfs/dbraw/zinc/43/71/38/532437138.db2.gz XZOHZGNQCUNXEX-QGZVFWFLSA-N 1 2 380.901 2.182 20 0 GEADLO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000650146850 532438941 /nfs/dbraw/zinc/43/89/41/532438941.db2.gz JTDIPWPMQDDOQE-QJPTWQEYSA-N 1 2 378.947 2.256 20 0 GEADLO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000650146850 532438950 /nfs/dbraw/zinc/43/89/50/532438950.db2.gz JTDIPWPMQDDOQE-QJPTWQEYSA-N 1 2 378.947 2.256 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1cccc2c(Br)ccnc12 ZINC000626580740 532440237 /nfs/dbraw/zinc/44/02/37/532440237.db2.gz FDHMPNRSIWIKEY-NSHDSACASA-N 1 2 379.258 2.449 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1cccc2c(Br)ccnc12 ZINC000626580740 532440242 /nfs/dbraw/zinc/44/02/42/532440242.db2.gz FDHMPNRSIWIKEY-NSHDSACASA-N 1 2 379.258 2.449 20 0 GEADLO CCOc1cc(Br)c(F)cc1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000626570386 532440360 /nfs/dbraw/zinc/44/03/60/532440360.db2.gz ZBRXALDQJDKXJZ-SNVBAGLBSA-N 1 2 390.253 2.439 20 0 GEADLO CCOc1cc(Br)c(F)cc1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000626570386 532440370 /nfs/dbraw/zinc/44/03/70/532440370.db2.gz ZBRXALDQJDKXJZ-SNVBAGLBSA-N 1 2 390.253 2.439 20 0 GEADLO Nc1nc(N)nc(C[N@@H+]2CCCC[C@H]2Cc2cccc(Br)c2)n1 ZINC000561473562 532440471 /nfs/dbraw/zinc/44/04/71/532440471.db2.gz SEIASXUKNZKGMI-ZDUSSCGKSA-N 1 2 377.290 2.056 20 0 GEADLO Nc1nc(N)nc(C[N@H+]2CCCC[C@H]2Cc2cccc(Br)c2)n1 ZINC000561473562 532440476 /nfs/dbraw/zinc/44/04/76/532440476.db2.gz SEIASXUKNZKGMI-ZDUSSCGKSA-N 1 2 377.290 2.056 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)c1cc(N2CCOCC2)nc[nH+]1 ZINC000295405410 532444391 /nfs/dbraw/zinc/44/43/91/532444391.db2.gz SEQXCYNCUYDDLK-OAHLLOKOSA-N 1 2 393.285 2.246 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)c1cc(N2CCOCC2)[nH+]cn1 ZINC000295405410 532444397 /nfs/dbraw/zinc/44/43/97/532444397.db2.gz SEQXCYNCUYDDLK-OAHLLOKOSA-N 1 2 393.285 2.246 20 0 GEADLO COC(C)(C)CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000518441639 532441933 /nfs/dbraw/zinc/44/19/33/532441933.db2.gz MWJZOGMHTBVIOM-ZDUSSCGKSA-N 1 2 376.469 2.274 20 0 GEADLO COC(C)(C)CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000518441639 532441936 /nfs/dbraw/zinc/44/19/36/532441936.db2.gz MWJZOGMHTBVIOM-ZDUSSCGKSA-N 1 2 376.469 2.274 20 0 GEADLO Cn1c(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)nc2ccc(Br)cc21 ZINC000295445049 532446475 /nfs/dbraw/zinc/44/64/75/532446475.db2.gz VZLVCNDNJPKOBJ-JTQLQIEISA-N 1 2 392.257 2.392 20 0 GEADLO Cn1c(C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)nc2ccc(Br)cc21 ZINC000295445049 532446486 /nfs/dbraw/zinc/44/64/86/532446486.db2.gz VZLVCNDNJPKOBJ-JTQLQIEISA-N 1 2 392.257 2.392 20 0 GEADLO OC[C@H]1CC[N@H+](Cc2ccc(I)cc2Cl)C[C@H]1O ZINC000561783406 532452166 /nfs/dbraw/zinc/45/21/66/532452166.db2.gz VIEJSXOLXSILBM-ZWNOBZJWSA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@H]1CC[N@@H+](Cc2ccc(I)cc2Cl)C[C@H]1O ZINC000561783406 532452169 /nfs/dbraw/zinc/45/21/69/532452169.db2.gz VIEJSXOLXSILBM-ZWNOBZJWSA-N 1 2 381.641 2.120 20 0 GEADLO COC(=O)[C@@H](NC(=O)C[N@H+](C)Cc1cc(Br)ccc1F)C(C)C ZINC000562029739 532456757 /nfs/dbraw/zinc/45/67/57/532456757.db2.gz NXNUZVAFYCXLFD-HNNXBMFYSA-N 1 2 389.265 2.334 20 0 GEADLO COC(=O)[C@@H](NC(=O)C[N@@H+](C)Cc1cc(Br)ccc1F)C(C)C ZINC000562029739 532456766 /nfs/dbraw/zinc/45/67/66/532456766.db2.gz NXNUZVAFYCXLFD-HNNXBMFYSA-N 1 2 389.265 2.334 20 0 GEADLO CCOC(=O)C1([S@](C)=O)CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000295535499 532456455 /nfs/dbraw/zinc/45/64/55/532456455.db2.gz JGUCWZCWYYNQNC-MQNRADLISA-N 1 2 391.892 2.289 20 0 GEADLO CNS(=O)(=O)CCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428785815 532460279 /nfs/dbraw/zinc/46/02/79/532460279.db2.gz REDYUFMPCNSQQN-DOMZBBRYSA-N 1 2 380.432 2.407 20 0 GEADLO CNS(=O)(=O)CCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428785815 532460284 /nfs/dbraw/zinc/46/02/84/532460284.db2.gz REDYUFMPCNSQQN-DOMZBBRYSA-N 1 2 380.432 2.407 20 0 GEADLO CS[C@@H](C)CNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000519370236 532461737 /nfs/dbraw/zinc/46/17/37/532461737.db2.gz YYTWPGXCMXBCQI-KBPBESRZSA-N 1 2 383.945 2.413 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000195046573 532464896 /nfs/dbraw/zinc/46/48/96/532464896.db2.gz AZTGSLWWBKPLNI-UHFFFAOYSA-N 1 2 396.216 2.289 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000295650013 532466325 /nfs/dbraw/zinc/46/63/25/532466325.db2.gz ZDIVZTIXDDCXCV-UHFFFAOYSA-N 1 2 388.917 2.420 20 0 GEADLO O=c1cc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)nc2sccn21 ZINC000428993411 532468571 /nfs/dbraw/zinc/46/85/71/532468571.db2.gz ANTWFBXSTDMEHF-CYBMUJFWSA-N 1 2 398.257 2.481 20 0 GEADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000562556350 532472028 /nfs/dbraw/zinc/47/20/28/532472028.db2.gz AJUQWUARIODGCH-LBPRGKRZSA-N 1 2 380.495 2.073 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628682908 532472377 /nfs/dbraw/zinc/47/23/77/532472377.db2.gz QOLIZABNUQDJKR-QGZVFWFLSA-N 1 2 378.270 2.141 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628682908 532472384 /nfs/dbraw/zinc/47/23/84/532472384.db2.gz QOLIZABNUQDJKR-QGZVFWFLSA-N 1 2 378.270 2.141 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628682939 532472574 /nfs/dbraw/zinc/47/25/74/532472574.db2.gz RJDKCSRDRQJSTL-KRWDZBQOSA-N 1 2 378.270 2.141 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)NCC(F)(F)F)cc2)C1 ZINC000195098529 532467444 /nfs/dbraw/zinc/46/74/44/532467444.db2.gz UUMFXWKBLWKXGL-CYBMUJFWSA-N 1 2 379.448 2.405 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2ccc(CNS(=O)(=O)NCC(F)(F)F)cc2)C1 ZINC000195098529 532467451 /nfs/dbraw/zinc/46/74/51/532467451.db2.gz UUMFXWKBLWKXGL-CYBMUJFWSA-N 1 2 379.448 2.405 20 0 GEADLO C[C@H](O)[C@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000562717408 532478966 /nfs/dbraw/zinc/47/89/66/532478966.db2.gz SPHSHMPISVENIN-XKQJLSEDSA-N 1 2 397.313 2.194 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)C(C)(C)CO ZINC000295813943 532479186 /nfs/dbraw/zinc/47/91/86/532479186.db2.gz UILPLJLETCXBPD-AWEZNQCLSA-N 1 2 389.880 2.392 20 0 GEADLO O=C(N[C@H](CCO)c1ccccc1Br)[C@@H]1CCc2c[nH+]cn2C1 ZINC000519823698 532479634 /nfs/dbraw/zinc/47/96/34/532479634.db2.gz NAAMWBJPTJLMIP-MLGOLLRUSA-N 1 2 378.270 2.448 20 0 GEADLO CCn1nccc1CN(CCO)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000684621024 532479695 /nfs/dbraw/zinc/47/96/95/532479695.db2.gz JCKHMLBJPKEPSV-UHFFFAOYSA-N 1 2 378.274 2.308 20 0 GEADLO COCC(=O)NC1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000684768478 532482960 /nfs/dbraw/zinc/48/29/60/532482960.db2.gz IJZQLZXQXASIRD-UHFFFAOYSA-N 1 2 377.229 2.454 20 0 GEADLO CCn1c2ccc(Br)cc2[nH+]c1NCc1cn(CC(=O)OC)nn1 ZINC000295882969 532485741 /nfs/dbraw/zinc/48/57/41/532485741.db2.gz HUILQPGSMPBISV-UHFFFAOYSA-N 1 2 393.245 2.195 20 0 GEADLO O[C@H](CN1CCC[C@H]1c1ccc(Br)c(F)c1)C[NH+]1CCOCC1 ZINC000374033746 532486349 /nfs/dbraw/zinc/48/63/49/532486349.db2.gz NCEWBWDTLHUGNU-YOEHRIQHSA-N 1 2 387.293 2.418 20 0 GEADLO COc1ccc(CN2CC[NH+](CC(=O)NC(C)C)CC2)c(Br)c1 ZINC000685408355 532492429 /nfs/dbraw/zinc/49/24/29/532492429.db2.gz YVCSJSRZWJARPG-UHFFFAOYSA-N 1 2 384.318 2.100 20 0 GEADLO O=C(CCC(=O)c1ccc(I)cc1)NCCc1[nH]cc[nH+]1 ZINC000469155783 532494623 /nfs/dbraw/zinc/49/46/23/532494623.db2.gz UUJORBNPWDFBRH-UHFFFAOYSA-N 1 2 397.216 2.336 20 0 GEADLO C[C@@H]1CN(CC[N@H+](C)CC(=O)Nc2ccccc2Br)C[C@H](C)O1 ZINC000195325218 532474150 /nfs/dbraw/zinc/47/41/50/532474150.db2.gz JVJMFMBFLDIDMU-OKILXGFUSA-N 1 2 384.318 2.429 20 0 GEADLO C[C@@H]1CN(CC[N@@H+](C)CC(=O)Nc2ccccc2Br)C[C@H](C)O1 ZINC000195325218 532474155 /nfs/dbraw/zinc/47/41/55/532474155.db2.gz JVJMFMBFLDIDMU-OKILXGFUSA-N 1 2 384.318 2.429 20 0 GEADLO COC(=O)[C@H](CC(F)(F)F)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000563391697 532503425 /nfs/dbraw/zinc/50/34/25/532503425.db2.gz ZUHLXKILHOCCBY-YUMQZZPRSA-N 1 2 375.269 2.066 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ncc(Br)cn1 ZINC000431100388 532505949 /nfs/dbraw/zinc/50/59/49/532505949.db2.gz VFLVZBSYEREJDW-ZJUUUORDSA-N 1 2 392.257 2.016 20 0 GEADLO Cc1cccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)c1Br ZINC000469588588 532506066 /nfs/dbraw/zinc/50/60/66/532506066.db2.gz JTWQFCAXWUHZKD-UHFFFAOYSA-N 1 2 377.242 2.319 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c1F ZINC000594457460 532506575 /nfs/dbraw/zinc/50/65/75/532506575.db2.gz IUJSKPUEPYVCCM-UHFFFAOYSA-N 1 2 389.836 2.173 20 0 GEADLO Cn1cc[nH+]c1[C@H]1N(C(=O)C(=O)Nc2ccc(Br)cn2)CC1(C)C ZINC000296224378 532508005 /nfs/dbraw/zinc/50/80/05/532508005.db2.gz RTYHNRKUCHLQHT-GFCCVEGCSA-N 1 2 392.257 2.126 20 0 GEADLO Cn1nccc1S(=O)(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000521191216 532508418 /nfs/dbraw/zinc/50/84/18/532508418.db2.gz MHYDOYDWVQSDRD-UHFFFAOYSA-N 1 2 384.889 2.347 20 0 GEADLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ncc(Br)cn1 ZINC000431507509 532514331 /nfs/dbraw/zinc/51/43/31/532514331.db2.gz SXENKVFGZOGZSO-RYUDHWBXSA-N 1 2 393.289 2.411 20 0 GEADLO C[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ncc(Br)cn1 ZINC000431507509 532514334 /nfs/dbraw/zinc/51/43/34/532514334.db2.gz SXENKVFGZOGZSO-RYUDHWBXSA-N 1 2 393.289 2.411 20 0 GEADLO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000238012287 532515326 /nfs/dbraw/zinc/51/53/26/532515326.db2.gz HJSIWNRZTBWZRX-ZFWWWQNUSA-N 1 2 379.507 2.406 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000521610915 532516185 /nfs/dbraw/zinc/51/61/85/532516185.db2.gz HKWOJCWYRJRDIX-XYPHTWIQSA-N 1 2 380.330 2.305 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@@H+]3C[C@@H](C)O[C@H](CO)C3)C2=O)ccc1Br ZINC000469981451 532516647 /nfs/dbraw/zinc/51/66/47/532516647.db2.gz KOAMHBAFMCGVDO-KMFMINBZSA-N 1 2 397.313 2.335 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@H+]3C[C@@H](C)O[C@H](CO)C3)C2=O)ccc1Br ZINC000469981451 532516652 /nfs/dbraw/zinc/51/66/52/532516652.db2.gz KOAMHBAFMCGVDO-KMFMINBZSA-N 1 2 397.313 2.335 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Cl)cc1F ZINC000374800789 532519291 /nfs/dbraw/zinc/51/92/91/532519291.db2.gz QANWRQYQTBJVRP-CABCVRRESA-N 1 2 376.881 2.007 20 0 GEADLO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000242459835 532517971 /nfs/dbraw/zinc/51/79/71/532517971.db2.gz BQJZUAYZZFGJMV-LBPRGKRZSA-N 1 2 386.279 2.113 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3C[C@@H](O)C3(C)C)[nH+]c12 ZINC000430327859 532497651 /nfs/dbraw/zinc/49/76/51/532497651.db2.gz XVNIJBMXJXXZTQ-ZIAGYGMSSA-N 1 2 395.301 2.406 20 0 GEADLO O=C(c1cccc(I)c1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374374695 532499067 /nfs/dbraw/zinc/49/90/67/532499067.db2.gz XIFUMHFJNLINMH-HNNXBMFYSA-N 1 2 393.228 2.473 20 0 GEADLO CN(C)c1[nH+]cccc1N(C)C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000430464813 532500521 /nfs/dbraw/zinc/50/05/21/532500521.db2.gz ODJLAQZDZHVGLV-UHFFFAOYSA-N 1 2 395.257 2.238 20 0 GEADLO COc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)nc1Br ZINC000374379189 532500635 /nfs/dbraw/zinc/50/06/35/532500635.db2.gz VNCIIJCUDGZASS-CYBMUJFWSA-N 1 2 377.242 2.034 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)ccc1Cl ZINC000374400413 532501391 /nfs/dbraw/zinc/50/13/91/532501391.db2.gz OZXSXEFNMMJWEA-LBPRGKRZSA-N 1 2 382.873 2.215 20 0 GEADLO O=C1CN(S(=O)(=O)c2cc(Br)ccc2F)c2cc[nH+]cc2N1 ZINC000470788177 532537062 /nfs/dbraw/zinc/53/70/62/532537062.db2.gz DLNBDZKGCKZACU-UHFFFAOYSA-N 1 2 386.202 2.131 20 0 GEADLO CN(C)c1cc(NC(=O)NCc2noc(C3CC3)n2)[nH+]cc1Br ZINC000653653183 532540120 /nfs/dbraw/zinc/54/01/20/532540120.db2.gz GEBFDTMHRFQFFC-UHFFFAOYSA-N 1 2 381.234 2.492 20 0 GEADLO Brc1cc2c(cc1C[N@@H+]1CCC[C@@H](N3CCOCC3)C1)OCO2 ZINC000653717937 532541325 /nfs/dbraw/zinc/54/13/25/532541325.db2.gz QBQCOEQDKACOTA-CQSZACIVSA-N 1 2 383.286 2.474 20 0 GEADLO Brc1cc2c(cc1C[N@H+]1CCC[C@@H](N3CCOCC3)C1)OCO2 ZINC000653717937 532541328 /nfs/dbraw/zinc/54/13/28/532541328.db2.gz QBQCOEQDKACOTA-CQSZACIVSA-N 1 2 383.286 2.474 20 0 GEADLO CC(=O)NCCN(C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000565017687 532543108 /nfs/dbraw/zinc/54/31/08/532543108.db2.gz DBEQZBSXNPVTGQ-MRXNPFEDSA-N 1 2 382.302 2.181 20 0 GEADLO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000653837018 532543336 /nfs/dbraw/zinc/54/33/36/532543336.db2.gz MGMSENKPEAMAFT-UONOGXRCSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCOc2cccc(Br)c2C1 ZINC000653837018 532543340 /nfs/dbraw/zinc/54/33/40/532543340.db2.gz MGMSENKPEAMAFT-UONOGXRCSA-N 1 2 386.286 2.200 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCCC[C@@H](SCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246641291 532543394 /nfs/dbraw/zinc/54/33/94/532543394.db2.gz PNYIEOKEZOIXDE-DLBZAZTESA-N 1 2 390.615 2.410 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCCC[C@@H](SCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246641291 532543398 /nfs/dbraw/zinc/54/33/98/532543398.db2.gz PNYIEOKEZOIXDE-DLBZAZTESA-N 1 2 390.615 2.410 20 0 GEADLO O=C(NCC(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1)OCC(F)(F)F ZINC000374882003 532521450 /nfs/dbraw/zinc/52/14/50/532521450.db2.gz VHABGZSEMFXVBK-GFCCVEGCSA-N 1 2 379.766 2.101 20 0 GEADLO CC[C@@H](CSC)[N@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000245568842 532522235 /nfs/dbraw/zinc/52/22/35/532522235.db2.gz ABVOMYNMPKGXMT-HOCLYGCPSA-N 1 2 376.588 2.018 20 0 GEADLO CC[C@@H](CSC)[N@@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000245568842 532522242 /nfs/dbraw/zinc/52/22/42/532522242.db2.gz ABVOMYNMPKGXMT-HOCLYGCPSA-N 1 2 376.588 2.018 20 0 GEADLO Cc1nc(CO[C@H]2CC[N@@H+](Cc3csc(CC(=O)N(C)C)n3)C2)cs1 ZINC000374870858 532522487 /nfs/dbraw/zinc/52/24/87/532522487.db2.gz BWPDRPVPFKVPLQ-HNNXBMFYSA-N 1 2 380.539 2.330 20 0 GEADLO Cc1nc(CO[C@H]2CC[N@H+](Cc3csc(CC(=O)N(C)C)n3)C2)cs1 ZINC000374870858 532522492 /nfs/dbraw/zinc/52/24/92/532522492.db2.gz BWPDRPVPFKVPLQ-HNNXBMFYSA-N 1 2 380.539 2.330 20 0 GEADLO O=C(C[N@H+]1CCSC[C@@H]1CCO)NCc1ccc(F)cc1C(F)(F)F ZINC000470217587 532522747 /nfs/dbraw/zinc/52/27/47/532522747.db2.gz HMCYZIGWIXLIGA-ZDUSSCGKSA-N 1 2 380.407 2.261 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@@H]1CCO)NCc1ccc(F)cc1C(F)(F)F ZINC000470217587 532522751 /nfs/dbraw/zinc/52/27/51/532522751.db2.gz HMCYZIGWIXLIGA-ZDUSSCGKSA-N 1 2 380.407 2.261 20 0 GEADLO CCN(CC)c1nc2sc(C(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)cc2s1 ZINC000652888604 532525927 /nfs/dbraw/zinc/52/59/27/532525927.db2.gz NWPZWPNNNIXXEQ-GFCCVEGCSA-N 1 2 380.539 2.095 20 0 GEADLO CCN(CC)c1nc2sc(C(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)cc2s1 ZINC000652888604 532525933 /nfs/dbraw/zinc/52/59/33/532525933.db2.gz NWPZWPNNNIXXEQ-GFCCVEGCSA-N 1 2 380.539 2.095 20 0 GEADLO Cc1ncc(CNC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)s1 ZINC000283215837 532526589 /nfs/dbraw/zinc/52/65/89/532526589.db2.gz AUPVFELSENWYOQ-HNNXBMFYSA-N 1 2 380.901 2.140 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000296545514 532527057 /nfs/dbraw/zinc/52/70/57/532527057.db2.gz OTMARESOYJBQCK-UHFFFAOYSA-N 1 2 383.221 2.368 20 0 GEADLO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000630677580 532527894 /nfs/dbraw/zinc/52/78/94/532527894.db2.gz VZUXZASYWPFIFR-UHFFFAOYSA-N 1 2 391.269 2.211 20 0 GEADLO O=S1(=O)CC[C@H]([NH+]2CCN(CCc3c(Cl)cccc3Cl)CC2)C1 ZINC000296547110 532528042 /nfs/dbraw/zinc/52/80/42/532528042.db2.gz OKARXJKGZJOHHY-ZDUSSCGKSA-N 1 2 377.337 2.341 20 0 GEADLO CC1(C)CC[NH+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000524026959 532528583 /nfs/dbraw/zinc/52/85/83/532528583.db2.gz UJULWGKDHCJCPP-HNNXBMFYSA-N 1 2 384.567 2.386 20 0 GEADLO O=C(CSCc1cccc(Cl)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000525340560 532531360 /nfs/dbraw/zinc/53/13/60/532531360.db2.gz BPFVUUWHISPSPF-UHFFFAOYSA-N 1 2 379.917 2.009 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000594804439 532531361 /nfs/dbraw/zinc/53/13/61/532531361.db2.gz ZWWOJGCLEMQEBZ-UHFFFAOYSA-N 1 2 381.479 2.008 20 0 GEADLO O=C(CCNC(=O)c1cscc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000630866230 532532090 /nfs/dbraw/zinc/53/20/90/532532090.db2.gz KICQCIVJDOVUDI-UHFFFAOYSA-N 1 2 378.885 2.265 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000432952500 532550603 /nfs/dbraw/zinc/55/06/03/532550603.db2.gz ZGUFIAGSYGKRDS-UHFFFAOYSA-N 1 2 384.845 2.437 20 0 GEADLO CN(C)c1cccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000471474957 532550647 /nfs/dbraw/zinc/55/06/47/532550647.db2.gz GFTMZJSXYCSQIR-UHFFFAOYSA-N 1 2 379.551 2.363 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)Cc2[nH]c[nH+]c2C)c1 ZINC000296869985 532550837 /nfs/dbraw/zinc/55/08/37/532550837.db2.gz JVBVDBOPAOABHX-OAHLLOKOSA-N 1 2 382.258 2.224 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000471510354 532551740 /nfs/dbraw/zinc/55/17/40/532551740.db2.gz KIHGATINKQOKEB-UHFFFAOYSA-N 1 2 379.463 2.237 20 0 GEADLO C[C@H](CNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)[NH+]1CCN(C)CC1 ZINC000631286749 532552234 /nfs/dbraw/zinc/55/22/34/532552234.db2.gz CCHRJIXTYUZPLC-GQAVTEOGSA-N 1 2 392.341 2.087 20 0 GEADLO COC(=O)CCN1CCC[C@@H]([N@@H+]2CCc3c(Br)cccc3C2)C1=O ZINC000595297937 532552902 /nfs/dbraw/zinc/55/29/02/532552902.db2.gz LCQIIQRKBANYIM-MRXNPFEDSA-N 1 2 395.297 2.361 20 0 GEADLO COC(=O)CCN1CCC[C@@H]([N@H+]2CCc3c(Br)cccc3C2)C1=O ZINC000595297937 532552904 /nfs/dbraw/zinc/55/29/04/532552904.db2.gz LCQIIQRKBANYIM-MRXNPFEDSA-N 1 2 395.297 2.361 20 0 GEADLO C[C@@H]1CC[S@](=O)CC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000433130608 532555223 /nfs/dbraw/zinc/55/52/23/532555223.db2.gz AUMGYFWNZULYRX-HDSUKNQSSA-N 1 2 394.306 2.171 20 0 GEADLO C[C@@H]1CC[S@](=O)CC[N@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000433130608 532555228 /nfs/dbraw/zinc/55/52/28/532555228.db2.gz AUMGYFWNZULYRX-HDSUKNQSSA-N 1 2 394.306 2.171 20 0 GEADLO Cc1nn(C)c(C)c1S(=O)(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296934009 532555429 /nfs/dbraw/zinc/55/54/29/532555429.db2.gz GHYFRYKOAWMFBU-UHFFFAOYSA-N 1 2 379.873 2.355 20 0 GEADLO Cc1csc([C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)C(F)(F)F)n1 ZINC000296956720 532556529 /nfs/dbraw/zinc/55/65/29/532556529.db2.gz JYWFTDHZFRBAKP-UTUOFQBUSA-N 1 2 378.420 2.169 20 0 GEADLO Cc1csc([C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)C(F)(F)F)n1 ZINC000296956720 532556534 /nfs/dbraw/zinc/55/65/34/532556534.db2.gz JYWFTDHZFRBAKP-UTUOFQBUSA-N 1 2 378.420 2.169 20 0 GEADLO CC(C)OC[C@H](CO)[N@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000433174528 532556572 /nfs/dbraw/zinc/55/65/72/532556572.db2.gz JPIFLKVRLVLYTP-ZDUSSCGKSA-N 1 2 384.325 2.485 20 0 GEADLO CC(C)OC[C@H](CO)[N@@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000433174528 532556576 /nfs/dbraw/zinc/55/65/76/532556576.db2.gz JPIFLKVRLVLYTP-ZDUSSCGKSA-N 1 2 384.325 2.485 20 0 GEADLO Cc1csc([C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C(F)(F)F)n1 ZINC000296956717 532556705 /nfs/dbraw/zinc/55/67/05/532556705.db2.gz JYWFTDHZFRBAKP-TUAOUCFPSA-N 1 2 378.420 2.169 20 0 GEADLO Cc1csc([C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C(F)(F)F)n1 ZINC000296956717 532556713 /nfs/dbraw/zinc/55/67/13/532556713.db2.gz JYWFTDHZFRBAKP-TUAOUCFPSA-N 1 2 378.420 2.169 20 0 GEADLO O=C(c1scc(Br)c1Br)N1CC[NH+](CCO)CC1 ZINC000527885408 532557465 /nfs/dbraw/zinc/55/74/65/532557465.db2.gz ZPLBWSWYPGXUSQ-UHFFFAOYSA-N 1 2 398.120 2.023 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000283812332 532558655 /nfs/dbraw/zinc/55/86/55/532558655.db2.gz JCARPIIOOMZNKO-GFCCVEGCSA-N 1 2 383.279 2.444 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1)c1ccc(Br)cc1 ZINC000249020175 532559753 /nfs/dbraw/zinc/55/97/53/532559753.db2.gz QNOPRRXGNOIGNK-DYVFJYSZSA-N 1 2 383.286 2.118 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1)c1ccc(Br)cc1 ZINC000249020175 532559758 /nfs/dbraw/zinc/55/97/58/532559758.db2.gz QNOPRRXGNOIGNK-DYVFJYSZSA-N 1 2 383.286 2.118 20 0 GEADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375506033 532563353 /nfs/dbraw/zinc/56/33/53/532563353.db2.gz OILPAZMPEXPMHR-SZEHBUNVSA-N 1 2 381.757 2.402 20 0 GEADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375506033 532563355 /nfs/dbraw/zinc/56/33/55/532563355.db2.gz OILPAZMPEXPMHR-SZEHBUNVSA-N 1 2 381.757 2.402 20 0 GEADLO O=C(NCCOc1ccc(Cl)cn1)NCc1[nH+]ccn1CC(F)(F)F ZINC000471990942 532563445 /nfs/dbraw/zinc/56/34/45/532563445.db2.gz ZHIVWQNTWNWUPR-UHFFFAOYSA-N 1 2 377.754 2.372 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528400676 532564151 /nfs/dbraw/zinc/56/41/51/532564151.db2.gz QDOQUHTXUHUSGV-VIFPVBQESA-N 1 2 383.258 2.228 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528400676 532564155 /nfs/dbraw/zinc/56/41/55/532564155.db2.gz QDOQUHTXUHUSGV-VIFPVBQESA-N 1 2 383.258 2.228 20 0 GEADLO NC(=O)[C@@]1(O)CCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000375530085 532564952 /nfs/dbraw/zinc/56/49/52/532564952.db2.gz QAMHUTVNJIIBQF-CYBMUJFWSA-N 1 2 381.192 2.280 20 0 GEADLO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000375530085 532564958 /nfs/dbraw/zinc/56/49/58/532564958.db2.gz QAMHUTVNJIIBQF-CYBMUJFWSA-N 1 2 381.192 2.280 20 0 GEADLO CC[C@H](CSC)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000565472781 532565010 /nfs/dbraw/zinc/56/50/10/532565010.db2.gz IEIZAOGJJOJNFH-OWCLPIDISA-N 1 2 383.945 2.459 20 0 GEADLO CC[C@H](CSC)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000565472781 532565016 /nfs/dbraw/zinc/56/50/16/532565016.db2.gz IEIZAOGJJOJNFH-OWCLPIDISA-N 1 2 383.945 2.459 20 0 GEADLO NC(=O)[C@]1(O)CCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000375530086 532565368 /nfs/dbraw/zinc/56/53/68/532565368.db2.gz QAMHUTVNJIIBQF-ZDUSSCGKSA-N 1 2 381.192 2.280 20 0 GEADLO NC(=O)[C@]1(O)CCC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000375530086 532565373 /nfs/dbraw/zinc/56/53/73/532565373.db2.gz QAMHUTVNJIIBQF-ZDUSSCGKSA-N 1 2 381.192 2.280 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000433369349 532565897 /nfs/dbraw/zinc/56/58/97/532565897.db2.gz ZWJVYRKUIGUGOY-CYBMUJFWSA-N 1 2 380.432 2.188 20 0 GEADLO Cc1ccc([C@H]([NH2+]Cc2coc(S(C)(=O)=O)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000528490154 532566895 /nfs/dbraw/zinc/56/68/95/532566895.db2.gz SRCVWCZEOKIGHV-CXAGYDPISA-N 1 2 385.507 2.256 20 0 GEADLO Cc1ccc([C@H]([NH2+]Cc2coc(S(C)(=O)=O)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000528490207 532567027 /nfs/dbraw/zinc/56/70/27/532567027.db2.gz SRCVWCZEOKIGHV-SUMWQHHRSA-N 1 2 385.507 2.256 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)NCCc2ccc(I)cc2)c1 ZINC000595647974 532568318 /nfs/dbraw/zinc/56/83/18/532568318.db2.gz HVVOAKKYNYYZFN-UHFFFAOYSA-N 1 2 398.248 2.109 20 0 GEADLO O=S1(=O)CCC[C@@H](C[NH+]2CCN(Cc3nc4ccccc4s3)CC2)C1 ZINC000283942978 532568832 /nfs/dbraw/zinc/56/88/32/532568832.db2.gz DEJFARMMZIMMJY-HNNXBMFYSA-N 1 2 379.551 2.239 20 0 GEADLO C[N@H+](Cc1ccc(Br)c(F)c1F)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000528509222 532569252 /nfs/dbraw/zinc/56/92/52/532569252.db2.gz XWRHEZRSXJXLFW-SNVBAGLBSA-N 1 2 383.258 2.193 20 0 GEADLO C[N@@H+](Cc1ccc(Br)c(F)c1F)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000528509222 532569254 /nfs/dbraw/zinc/56/92/54/532569254.db2.gz XWRHEZRSXJXLFW-SNVBAGLBSA-N 1 2 383.258 2.193 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CCO1 ZINC000565079167 532547169 /nfs/dbraw/zinc/54/71/69/532547169.db2.gz CGARQORJEAPHCW-SECBINFHSA-N 1 2 394.686 2.422 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CCO1 ZINC000565079167 532547175 /nfs/dbraw/zinc/54/71/75/532547175.db2.gz CGARQORJEAPHCW-SECBINFHSA-N 1 2 394.686 2.422 20 0 GEADLO C[C@@H]1C[N@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000472280095 532569614 /nfs/dbraw/zinc/56/96/14/532569614.db2.gz RPJKGUUJCZZPEI-GJZGRUSLSA-N 1 2 384.567 2.384 20 0 GEADLO C[C@@H]1C[N@@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000472280095 532569619 /nfs/dbraw/zinc/56/96/19/532569619.db2.gz RPJKGUUJCZZPEI-GJZGRUSLSA-N 1 2 384.567 2.384 20 0 GEADLO O=c1ccc(N2CC[NH+](Cc3cccc(I)c3)CC2)n[nH]1 ZINC000375313008 532549511 /nfs/dbraw/zinc/54/95/11/532549511.db2.gz KSIVZLYCLPXLGP-UHFFFAOYSA-N 1 2 396.232 2.109 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)s2)CC1 ZINC000248011876 532549490 /nfs/dbraw/zinc/54/94/90/532549490.db2.gz CANIQTMFFDKVDO-NSHDSACASA-N 1 2 388.331 2.022 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)s2)CC1 ZINC000248011876 532549497 /nfs/dbraw/zinc/54/94/97/532549497.db2.gz CANIQTMFFDKVDO-NSHDSACASA-N 1 2 388.331 2.022 20 0 GEADLO COC(=O)[C@H](NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccccc1Br ZINC000596046842 532583901 /nfs/dbraw/zinc/58/39/01/532583901.db2.gz SDOKPTGEUAOZMM-XJKCOSOUSA-N 1 2 385.302 2.362 20 0 GEADLO COC(=O)[C@H](NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccccc1Br ZINC000596046842 532583908 /nfs/dbraw/zinc/58/39/08/532583908.db2.gz SDOKPTGEUAOZMM-XJKCOSOUSA-N 1 2 385.302 2.362 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCc2cccc(Br)c2C1 ZINC000433942228 532584600 /nfs/dbraw/zinc/58/46/00/532584600.db2.gz PKOOZCYEDKKXJX-UHFFFAOYSA-N 1 2 394.313 2.382 20 0 GEADLO COc1ccc(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000655355157 532586767 /nfs/dbraw/zinc/58/67/67/532586767.db2.gz LORQPKSEZNXNRF-OKILXGFUSA-N 1 2 398.301 2.120 20 0 GEADLO COc1ccc(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000655355157 532586772 /nfs/dbraw/zinc/58/67/72/532586772.db2.gz LORQPKSEZNXNRF-OKILXGFUSA-N 1 2 398.301 2.120 20 0 GEADLO O=c1cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)nc2ccc(Br)cn12 ZINC000566007756 532586906 /nfs/dbraw/zinc/58/69/06/532586906.db2.gz PQJNJSHUNABYKY-INIZCTEOSA-N 1 2 396.310 2.165 20 0 GEADLO O=c1cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)nc2ccc(Br)cn12 ZINC000566007756 532586913 /nfs/dbraw/zinc/58/69/13/532586913.db2.gz PQJNJSHUNABYKY-INIZCTEOSA-N 1 2 396.310 2.165 20 0 GEADLO Cc1cccn2cc(CNC(=O)c3cc(Br)c(C)n(C)c3=O)[nH+]c12 ZINC000434111610 532587423 /nfs/dbraw/zinc/58/74/23/532587423.db2.gz OACPKMDPRLPNNB-UHFFFAOYSA-N 1 2 389.253 2.342 20 0 GEADLO C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)c1[nH]cc[nH+]1 ZINC000655401763 532588225 /nfs/dbraw/zinc/58/82/25/532588225.db2.gz BAPIARCEUZPBTE-SNVBAGLBSA-N 1 2 375.372 2.166 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)CC2CS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000632200384 532588601 /nfs/dbraw/zinc/58/86/01/532588601.db2.gz GFKZKVOQVIWSCQ-CXAGYDPISA-N 1 2 388.892 2.023 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)CC2CS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000632200384 532588604 /nfs/dbraw/zinc/58/86/04/532588604.db2.gz GFKZKVOQVIWSCQ-CXAGYDPISA-N 1 2 388.892 2.023 20 0 GEADLO O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000376011802 532590167 /nfs/dbraw/zinc/59/01/67/532590167.db2.gz BHOZBDXKGCWYLU-LBPRGKRZSA-N 1 2 380.436 2.034 20 0 GEADLO CN(c1ccc(N2CCOCC2)[nH+]c1)S(=O)(=O)C[C@@H]1CCC(F)(F)C1 ZINC000632206644 532590402 /nfs/dbraw/zinc/59/04/02/532590402.db2.gz OXTWXKKRRGXGKV-CYBMUJFWSA-N 1 2 375.441 2.120 20 0 GEADLO Cc1csc(-c2ccc(S(=O)(=O)NCC[NH+]3CCSCC3)cc2)n1 ZINC000655506737 532593033 /nfs/dbraw/zinc/59/30/33/532593033.db2.gz XAWOMOXZGXHUQE-UHFFFAOYSA-N 1 2 383.564 2.446 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)C[C@H]1C ZINC000250245216 532570692 /nfs/dbraw/zinc/57/06/92/532570692.db2.gz HVVLXHFWIROCQY-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)C[C@H]1C ZINC000250245216 532570701 /nfs/dbraw/zinc/57/07/01/532570701.db2.gz HVVLXHFWIROCQY-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CO[C@H]1CC[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000565700681 532572795 /nfs/dbraw/zinc/57/27/95/532572795.db2.gz JAPJGEWNWFCDFH-RYUDHWBXSA-N 1 2 399.289 2.370 20 0 GEADLO CS(=O)(=O)Nc1cccc(CNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000433604001 532573508 /nfs/dbraw/zinc/57/35/08/532573508.db2.gz MBAVULJPJRTWER-UHFFFAOYSA-N 1 2 379.511 2.013 20 0 GEADLO CS(=O)(=O)Nc1cccc(CNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000433604001 532573512 /nfs/dbraw/zinc/57/35/12/532573512.db2.gz MBAVULJPJRTWER-UHFFFAOYSA-N 1 2 379.511 2.013 20 0 GEADLO Cc1nn(C)c(C[NH+]2CCC(c3nc(N(C)C)no3)CC2)c1Br ZINC000375668351 532574142 /nfs/dbraw/zinc/57/41/42/532574142.db2.gz FPJCTODRZABZDE-UHFFFAOYSA-N 1 2 383.294 2.320 20 0 GEADLO C[C@H](NS(=O)(=O)CCC(C)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000632023958 532574747 /nfs/dbraw/zinc/57/47/47/532574747.db2.gz ZEWFDXQQJHTTTD-HOCLYGCPSA-N 1 2 376.469 2.241 20 0 GEADLO C[C@H](NS(=O)(=O)CCC(C)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000632023958 532574754 /nfs/dbraw/zinc/57/47/54/532574754.db2.gz ZEWFDXQQJHTTTD-HOCLYGCPSA-N 1 2 376.469 2.241 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000595816790 532575018 /nfs/dbraw/zinc/57/50/18/532575018.db2.gz LASMJEMIHLXGBR-CXAGYDPISA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000595816790 532575025 /nfs/dbraw/zinc/57/50/25/532575025.db2.gz LASMJEMIHLXGBR-CXAGYDPISA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000595816791 532575384 /nfs/dbraw/zinc/57/53/84/532575384.db2.gz LASMJEMIHLXGBR-DYVFJYSZSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000595816791 532575387 /nfs/dbraw/zinc/57/53/87/532575387.db2.gz LASMJEMIHLXGBR-DYVFJYSZSA-N 1 2 392.279 2.387 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN([C@@H](C)C[NH+]1CCOCC1)C2 ZINC000595904931 532575976 /nfs/dbraw/zinc/57/59/76/532575976.db2.gz GJIDMGXDMUWKTE-JTQLQIEISA-N 1 2 389.315 2.334 20 0 GEADLO CNC(=O)NC[C@H]1C[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)CCO1 ZINC000528628193 532576305 /nfs/dbraw/zinc/57/63/05/532576305.db2.gz JHOWZRWEULOKDA-GOEBONIOSA-N 1 2 382.302 2.456 20 0 GEADLO CNC(=O)NC[C@H]1C[N@H+]([C@@H]2CCCc3ccc(Br)cc32)CCO1 ZINC000528628193 532576312 /nfs/dbraw/zinc/57/63/12/532576312.db2.gz JHOWZRWEULOKDA-GOEBONIOSA-N 1 2 382.302 2.456 20 0 GEADLO Cc1cc(CC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)no1 ZINC000565759421 532576880 /nfs/dbraw/zinc/57/68/80/532576880.db2.gz PPMCUSPEDOBCGX-UHFFFAOYSA-N 1 2 381.230 2.158 20 0 GEADLO COC(=O)c1cnc([C@@H]2CCC[N@H+](CC(=O)N(C)CC(F)(F)F)C2)s1 ZINC000595918023 532576965 /nfs/dbraw/zinc/57/69/65/532576965.db2.gz HYBHXUTYKMOSAI-SNVBAGLBSA-N 1 2 379.404 2.130 20 0 GEADLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](CC(=O)N(C)CC(F)(F)F)C2)s1 ZINC000595918023 532576970 /nfs/dbraw/zinc/57/69/70/532576970.db2.gz HYBHXUTYKMOSAI-SNVBAGLBSA-N 1 2 379.404 2.130 20 0 GEADLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528778438 532581072 /nfs/dbraw/zinc/58/10/72/532581072.db2.gz KCBNEWNJPUHBKS-LVQVYYBASA-N 1 2 382.551 2.452 20 0 GEADLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528778438 532581080 /nfs/dbraw/zinc/58/10/80/532581080.db2.gz KCBNEWNJPUHBKS-LVQVYYBASA-N 1 2 382.551 2.452 20 0 GEADLO Ic1cnc(C[NH2+]C[C@@H]2CN3CCCC[C@@H]3CO2)s1 ZINC000375761246 532581697 /nfs/dbraw/zinc/58/16/97/532581697.db2.gz HGRRQEKPGUYGLO-GHMZBOCLSA-N 1 2 393.294 2.091 20 0 GEADLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528778439 532581898 /nfs/dbraw/zinc/58/18/98/532581898.db2.gz KCBNEWNJPUHBKS-WCVJEAGWSA-N 1 2 382.551 2.452 20 0 GEADLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528778439 532581903 /nfs/dbraw/zinc/58/19/03/532581903.db2.gz KCBNEWNJPUHBKS-WCVJEAGWSA-N 1 2 382.551 2.452 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)cc1Cl ZINC000632502835 532617504 /nfs/dbraw/zinc/61/75/04/532617504.db2.gz YXDABVPYDHUKIR-HOTGVXAUSA-N 1 2 388.917 2.126 20 0 GEADLO Cc1csc(-c2ccc(S(=O)(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000655539604 532596681 /nfs/dbraw/zinc/59/66/81/532596681.db2.gz RJQRKBHJYJEVJU-CJNGLKHVSA-N 1 2 381.523 2.116 20 0 GEADLO Cc1csc(-c2ccc(S(=O)(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000655539604 532596687 /nfs/dbraw/zinc/59/66/87/532596687.db2.gz RJQRKBHJYJEVJU-CJNGLKHVSA-N 1 2 381.523 2.116 20 0 GEADLO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000434700708 532599276 /nfs/dbraw/zinc/59/92/76/532599276.db2.gz WEOPAUSTGCXMDD-DOMZBBRYSA-N 1 2 379.507 2.419 20 0 GEADLO CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297693463 532603040 /nfs/dbraw/zinc/60/30/40/532603040.db2.gz BLRODEANVIMHPJ-UHFFFAOYSA-N 1 2 378.885 2.104 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000474034270 532605297 /nfs/dbraw/zinc/60/52/97/532605297.db2.gz PFUPODWFINAMOF-FZMZJTMJSA-N 1 2 376.284 2.047 20 0 GEADLO CNC(=O)N1CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529531845 532606482 /nfs/dbraw/zinc/60/64/82/532606482.db2.gz VFMYBZCUAMUTTM-UHFFFAOYSA-N 1 2 384.303 2.358 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ncc(Br)cc2F)C1 ZINC000529526183 532607207 /nfs/dbraw/zinc/60/72/07/532607207.db2.gz IBVGUUWKZGKGFG-RYUDHWBXSA-N 1 2 388.281 2.346 20 0 GEADLO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ncc(Br)cc2F)C1 ZINC000529526183 532607210 /nfs/dbraw/zinc/60/72/10/532607210.db2.gz IBVGUUWKZGKGFG-RYUDHWBXSA-N 1 2 388.281 2.346 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000632386099 532607721 /nfs/dbraw/zinc/60/77/21/532607721.db2.gz UUDUCYBNXHBDQS-AWEZNQCLSA-N 1 2 376.881 2.106 20 0 GEADLO O=C(c1c(Cl)cccc1Cl)N1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262928589 532608019 /nfs/dbraw/zinc/60/80/19/532608019.db2.gz HQNALKTYDPFIAK-GFCCVEGCSA-N 1 2 392.233 2.275 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000632394278 532608678 /nfs/dbraw/zinc/60/86/78/532608678.db2.gz MQSVJHDTEAEADF-BBRMVZONSA-N 1 2 376.881 2.180 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000632394278 532608687 /nfs/dbraw/zinc/60/86/87/532608687.db2.gz MQSVJHDTEAEADF-BBRMVZONSA-N 1 2 376.881 2.180 20 0 GEADLO O=S(=O)(c1cc(F)ccc1Br)N1CC[NH+](C2CCC2)CC1 ZINC000435230574 532610889 /nfs/dbraw/zinc/61/08/89/532610889.db2.gz QJZDTOMKKDZSMA-UHFFFAOYSA-N 1 2 377.279 2.447 20 0 GEADLO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263047803 532612044 /nfs/dbraw/zinc/61/20/44/532612044.db2.gz UDPUJJHPHVGUSN-CYBMUJFWSA-N 1 2 392.233 2.275 20 0 GEADLO O=C(NCCc1ccc(I)s1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263292661 532623005 /nfs/dbraw/zinc/62/30/05/532623005.db2.gz VXMBKUHYKPFGIO-MRVPVSSYSA-N 1 2 386.205 2.009 20 0 GEADLO O=S(=O)(c1onc(C2CC2)c1Cl)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000632539830 532623383 /nfs/dbraw/zinc/62/33/83/532623383.db2.gz QFZXAJRAJQYNPS-ZDUSSCGKSA-N 1 2 389.905 2.081 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2Br)C1 ZINC000376812726 532630220 /nfs/dbraw/zinc/63/02/20/532630220.db2.gz ZVFHRIUPHJMKER-ZDUSSCGKSA-N 1 2 377.304 2.057 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC000376812726 532630226 /nfs/dbraw/zinc/63/02/26/532630226.db2.gz ZVFHRIUPHJMKER-ZDUSSCGKSA-N 1 2 377.304 2.057 20 0 GEADLO COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000376822299 532631461 /nfs/dbraw/zinc/63/14/61/532631461.db2.gz IJPXWGWPNZXJBU-UONOGXRCSA-N 1 2 382.258 2.249 20 0 GEADLO COCc1cc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)no1 ZINC000298175374 532632419 /nfs/dbraw/zinc/63/24/19/532632419.db2.gz UVMKADQWACBXBK-OAHLLOKOSA-N 1 2 380.242 2.479 20 0 GEADLO Cc1ccc(NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)c(C)[nH+]1 ZINC000531272756 532633039 /nfs/dbraw/zinc/63/30/39/532633039.db2.gz JPJXALQQQWQTPQ-UHFFFAOYSA-N 1 2 381.479 2.033 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)c3cscn3)CC2)cs1 ZINC000566972336 532634691 /nfs/dbraw/zinc/63/46/91/532634691.db2.gz XHJPCTGVHCEYNI-UHFFFAOYSA-N 1 2 386.568 2.353 20 0 GEADLO Cn1cc(C(=O)CCC(=O)NCc2cn3cc(Br)ccc3[nH+]2)cn1 ZINC000475034925 532635014 /nfs/dbraw/zinc/63/50/14/532635014.db2.gz WNTSJZMOSFVBOA-UHFFFAOYSA-N 1 2 390.241 2.110 20 0 GEADLO COc1nn(C)cc1NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000474989499 532635524 /nfs/dbraw/zinc/63/55/24/532635524.db2.gz OKYXTTVKXXBXAM-UHFFFAOYSA-N 1 2 393.245 2.469 20 0 GEADLO O=C(c1cc(F)c(F)cc1I)N1CC(n2cc[nH+]c2)C1 ZINC000531611784 532635786 /nfs/dbraw/zinc/63/57/86/532635786.db2.gz HMZSCYWZMHAXPT-UHFFFAOYSA-N 1 2 389.143 2.463 20 0 GEADLO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000632721084 532640895 /nfs/dbraw/zinc/64/08/95/532640895.db2.gz QWFZJOCDKRVSFJ-CYBMUJFWSA-N 1 2 380.432 2.428 20 0 GEADLO C[N@@H+]1CC[C@@H](CNC(=O)C2(S(C)(=O)=O)CCC2)[C@@H]1c1cccc(Cl)c1 ZINC000377091255 532642223 /nfs/dbraw/zinc/64/22/23/532642223.db2.gz MASRUXXGJDJFEO-HOCLYGCPSA-N 1 2 384.929 2.416 20 0 GEADLO C[N@H+]1CC[C@@H](CNC(=O)C2(S(C)(=O)=O)CCC2)[C@@H]1c1cccc(Cl)c1 ZINC000377091255 532642230 /nfs/dbraw/zinc/64/22/30/532642230.db2.gz MASRUXXGJDJFEO-HOCLYGCPSA-N 1 2 384.929 2.416 20 0 GEADLO CC(C)(CNS(=O)(=O)c1cc(F)ccc1Br)n1cc[nH+]c1 ZINC000632733796 532642731 /nfs/dbraw/zinc/64/27/31/532642731.db2.gz ZSOSIJVRMMLPMD-UHFFFAOYSA-N 1 2 376.251 2.498 20 0 GEADLO Cc1cc(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(Br)c2)n(C)n1 ZINC000298353009 532643073 /nfs/dbraw/zinc/64/30/73/532643073.db2.gz MPUZAPUOGJFPHT-AWEZNQCLSA-N 1 2 381.274 2.095 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)n(C)n1 ZINC000298353009 532643077 /nfs/dbraw/zinc/64/30/77/532643077.db2.gz MPUZAPUOGJFPHT-AWEZNQCLSA-N 1 2 381.274 2.095 20 0 GEADLO Cc1cc(Br)ccc1S(=O)(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000567166959 532643316 /nfs/dbraw/zinc/64/33/16/532643316.db2.gz ZKBRRHDCNYKFLO-JTQLQIEISA-N 1 2 383.258 2.281 20 0 GEADLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C)nc1Cl ZINC000377121564 532643599 /nfs/dbraw/zinc/64/35/99/532643599.db2.gz VYMCYOGRDJTFJO-AWEZNQCLSA-N 1 2 381.885 2.387 20 0 GEADLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000264067532 532660179 /nfs/dbraw/zinc/66/01/79/532660179.db2.gz LPGDVXKPVUQAFZ-UHFFFAOYSA-N 1 2 380.214 2.282 20 0 GEADLO CCS(=O)(=O)CCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000377546815 532660721 /nfs/dbraw/zinc/66/07/21/532660721.db2.gz WBYGLGNHISTVMS-UHFFFAOYSA-N 1 2 378.947 2.164 20 0 GEADLO O=C(Cc1ccc(O)c(Cl)c1)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000633152849 532660635 /nfs/dbraw/zinc/66/06/35/532660635.db2.gz GIAYFSFURYVHQZ-HNNXBMFYSA-N 1 2 384.929 2.254 20 0 GEADLO COCc1ncc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)s1 ZINC000285230967 532660717 /nfs/dbraw/zinc/66/07/17/532660717.db2.gz YRRUCYYHJCVDAF-UHFFFAOYSA-N 1 2 381.420 2.016 20 0 GEADLO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)S(C)(=O)=O ZINC000533158731 532661103 /nfs/dbraw/zinc/66/11/03/532661103.db2.gz OXLKZAKFDZSOJI-BBRMVZONSA-N 1 2 387.933 2.209 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000285242429 532662248 /nfs/dbraw/zinc/66/22/48/532662248.db2.gz WGBUSUWENIMIID-AWEZNQCLSA-N 1 2 379.873 2.183 20 0 GEADLO COCCCS(=O)(=O)N1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000533199840 532662332 /nfs/dbraw/zinc/66/23/32/532662332.db2.gz UHLVDZPUSIZVSI-UHFFFAOYSA-N 1 2 390.933 2.093 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)N1CCCC1)c1ccc(Br)cc1 ZINC000660013071 532669488 /nfs/dbraw/zinc/66/94/88/532669488.db2.gz IZCLKUBCWLOGAT-CQSZACIVSA-N 1 2 399.314 2.202 20 0 GEADLO CCOC(=O)Cc1csc(NC(=O)C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)n1 ZINC000599515862 532664381 /nfs/dbraw/zinc/66/43/81/532664381.db2.gz WLCCABAHHVDKIM-QWRGUYRKSA-N 1 2 375.441 2.410 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000567796586 532664858 /nfs/dbraw/zinc/66/48/58/532664858.db2.gz GBJOQMAZESQYKO-CYBMUJFWSA-N 1 2 380.432 2.091 20 0 GEADLO C[C@H]([C@H](C)NC(=O)CSc1ccc(C(F)(F)F)cn1)[NH+]1CCOCC1 ZINC000264175684 532665770 /nfs/dbraw/zinc/66/57/70/532665770.db2.gz AMJXTWJSGOOEEF-NWDGAFQWSA-N 1 2 377.432 2.418 20 0 GEADLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000599573543 532666332 /nfs/dbraw/zinc/66/63/32/532666332.db2.gz RYUHUGDXONIZGL-CQSZACIVSA-N 1 2 399.285 2.274 20 0 GEADLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000599573543 532666337 /nfs/dbraw/zinc/66/63/37/532666337.db2.gz RYUHUGDXONIZGL-CQSZACIVSA-N 1 2 399.285 2.274 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(OC)c(OC)cc2Br)C1 ZINC000599567084 532666534 /nfs/dbraw/zinc/66/65/34/532666534.db2.gz LTTGWYJPPCXDAT-INIZCTEOSA-N 1 2 388.258 2.230 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(OC)c(OC)cc2Br)C1 ZINC000599567084 532666538 /nfs/dbraw/zinc/66/65/38/532666538.db2.gz LTTGWYJPPCXDAT-INIZCTEOSA-N 1 2 388.258 2.230 20 0 GEADLO COCCOCC[NH2+][C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000599594129 532668029 /nfs/dbraw/zinc/66/80/29/532668029.db2.gz JWVNKFQUWNLCOR-KRWDZBQOSA-N 1 2 386.286 2.102 20 0 GEADLO O=S(=O)(CCc1ccccc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000656922151 532647925 /nfs/dbraw/zinc/64/79/25/532647925.db2.gz XFANKXLRZNSMCS-KRWDZBQOSA-N 1 2 386.945 2.399 20 0 GEADLO C[C@@H](COCC(F)(F)F)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000263887941 532648091 /nfs/dbraw/zinc/64/80/91/532648091.db2.gz YDKRSVRSVVXCDX-LBPRGKRZSA-N 1 2 380.436 2.328 20 0 GEADLO C[C@@H](COCC(F)(F)F)NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000263887941 532648094 /nfs/dbraw/zinc/64/80/94/532648094.db2.gz YDKRSVRSVVXCDX-LBPRGKRZSA-N 1 2 380.436 2.328 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccc3cc(I)ccc3n2)CC1 ZINC000567313672 532648864 /nfs/dbraw/zinc/64/88/64/532648864.db2.gz GKGWMCIEKRQFMQ-UHFFFAOYSA-N 1 2 381.217 2.227 20 0 GEADLO Cc1cn2c([nH+]1)CN(S(=O)(=O)Cc1cc(F)ccc1Br)CC2 ZINC000656957110 532650276 /nfs/dbraw/zinc/65/02/76/532650276.db2.gz OOZXCUVGRCABHH-UHFFFAOYSA-N 1 2 388.262 2.439 20 0 GEADLO COc1cc(Br)c(CS(=O)(=O)Cc2c[nH+]cn2C)cc1OC ZINC000532330806 532650367 /nfs/dbraw/zinc/65/03/67/532650367.db2.gz XLAHMFQSQCZELS-UHFFFAOYSA-N 1 2 389.271 2.315 20 0 GEADLO O=C(Cc1ccc(Br)cc1O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000477405336 532651496 /nfs/dbraw/zinc/65/14/96/532651496.db2.gz NWDNOMUJYOESNZ-AWEZNQCLSA-N 1 2 376.254 2.487 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000377342081 532652370 /nfs/dbraw/zinc/65/23/70/532652370.db2.gz HVGHPLQZHXULRN-OAHLLOKOSA-N 1 2 383.495 2.119 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[C@@]34CCc3cc(Br)ccc34)C[C@@H]21 ZINC000377328806 532652589 /nfs/dbraw/zinc/65/25/89/532652589.db2.gz DFLYTMPIAXUQAC-SFNKJDCFSA-N 1 2 391.309 2.194 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[C@@]34CCc3cc(Br)ccc34)C[C@@H]21 ZINC000377328806 532652598 /nfs/dbraw/zinc/65/25/98/532652598.db2.gz DFLYTMPIAXUQAC-SFNKJDCFSA-N 1 2 391.309 2.194 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)NCc2cc(Cl)ccc2Br)C1 ZINC000567466395 532653566 /nfs/dbraw/zinc/65/35/66/532653566.db2.gz DTHIXTCBQZIXEO-CYBMUJFWSA-N 1 2 389.725 2.148 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2cc(Cl)ccc2Br)C1 ZINC000567466395 532653570 /nfs/dbraw/zinc/65/35/70/532653570.db2.gz DTHIXTCBQZIXEO-CYBMUJFWSA-N 1 2 389.725 2.148 20 0 GEADLO C[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437250901 532654665 /nfs/dbraw/zinc/65/46/65/532654665.db2.gz ZBHSTAVXWKZTJR-NSHDSACASA-N 1 2 375.372 2.387 20 0 GEADLO C[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437249740 532654993 /nfs/dbraw/zinc/65/49/93/532654993.db2.gz VTQRNVCTFVXREO-NEPJUHHUSA-N 1 2 381.420 2.055 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000263990895 532655499 /nfs/dbraw/zinc/65/54/99/532655499.db2.gz BDFKIGDRSLSAGO-UHFFFAOYSA-N 1 2 385.295 2.411 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000263990895 532655505 /nfs/dbraw/zinc/65/55/05/532655505.db2.gz BDFKIGDRSLSAGO-UHFFFAOYSA-N 1 2 385.295 2.411 20 0 GEADLO Cn1ncc(Br)c1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000437348371 532656654 /nfs/dbraw/zinc/65/66/54/532656654.db2.gz PWCXFPFOLOTWGK-MSOLQXFVSA-N 1 2 391.313 2.268 20 0 GEADLO Cn1ncc(Br)c1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000437348371 532656659 /nfs/dbraw/zinc/65/66/59/532656659.db2.gz PWCXFPFOLOTWGK-MSOLQXFVSA-N 1 2 391.313 2.268 20 0 GEADLO O=S(=O)(NCc1ccc(N2CCOCC2)[nH+]c1)c1cc(F)ccc1Cl ZINC000264052957 532657967 /nfs/dbraw/zinc/65/79/67/532657967.db2.gz IMPJKXNRRKCYFV-UHFFFAOYSA-N 1 2 385.848 2.189 20 0 GEADLO O=C(c1coc(Br)c1)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000377441442 532658186 /nfs/dbraw/zinc/65/81/86/532658186.db2.gz LCHZFFUUKXWGQA-UHFFFAOYSA-N 1 2 396.285 2.397 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000568788704 532686454 /nfs/dbraw/zinc/68/64/54/532686454.db2.gz NKCOYBFPICBUCZ-OWQGQXMQSA-N 1 2 384.929 2.416 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000568788704 532686458 /nfs/dbraw/zinc/68/64/58/532686458.db2.gz NKCOYBFPICBUCZ-OWQGQXMQSA-N 1 2 384.929 2.416 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1cc(F)cc(Br)c1 ZINC000663765522 532686480 /nfs/dbraw/zinc/68/64/80/532686480.db2.gz FQHFLLJXBXNQIM-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1cc(F)cc(Br)c1 ZINC000663765522 532686483 /nfs/dbraw/zinc/68/64/83/532686483.db2.gz FQHFLLJXBXNQIM-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCOCC1)c1ccc(Br)cc1 ZINC000660011267 532669743 /nfs/dbraw/zinc/66/97/43/532669743.db2.gz AALKKBZHADJYFN-CQSZACIVSA-N 1 2 379.258 2.314 20 0 GEADLO CCN(C)S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Br)cc1 ZINC000660012632 532669782 /nfs/dbraw/zinc/66/97/82/532669782.db2.gz GTTWARNTUJGLCI-ZDUSSCGKSA-N 1 2 387.303 2.058 20 0 GEADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(N)=O ZINC000298716335 532670035 /nfs/dbraw/zinc/67/00/35/532670035.db2.gz YNLHODHHABCUHU-VIFPVBQESA-N 1 2 375.256 2.227 20 0 GEADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(N)=O ZINC000298716335 532670042 /nfs/dbraw/zinc/67/00/42/532670042.db2.gz YNLHODHHABCUHU-VIFPVBQESA-N 1 2 375.256 2.227 20 0 GEADLO O=S(=O)(NCC(F)(F)F)N1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000438475026 532671192 /nfs/dbraw/zinc/67/11/92/532671192.db2.gz KORNXPIBXLSDII-UHFFFAOYSA-N 1 2 391.868 2.352 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000298762618 532672316 /nfs/dbraw/zinc/67/23/16/532672316.db2.gz QMJGYDRCLVZKBE-NSHDSACASA-N 1 2 394.324 2.193 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000298762618 532672320 /nfs/dbraw/zinc/67/23/20/532672320.db2.gz QMJGYDRCLVZKBE-NSHDSACASA-N 1 2 394.324 2.193 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000264422803 532673696 /nfs/dbraw/zinc/67/36/96/532673696.db2.gz KLUIPLPKICJXGH-AWEZNQCLSA-N 1 2 380.330 2.233 20 0 GEADLO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377924148 532674704 /nfs/dbraw/zinc/67/47/04/532674704.db2.gz SGPNUNFOWHLQFT-MRVPVSSYSA-N 1 2 399.195 2.063 20 0 GEADLO O=C(Nc1cc(F)cc(Br)c1F)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377924148 532674709 /nfs/dbraw/zinc/67/47/09/532674709.db2.gz SGPNUNFOWHLQFT-MRVPVSSYSA-N 1 2 399.195 2.063 20 0 GEADLO O=C(C[NH2+][C@H](CO)c1c(Cl)cccc1Cl)NC(=O)NCC(F)(F)F ZINC000483253647 532676299 /nfs/dbraw/zinc/67/62/99/532676299.db2.gz CQOPPLNAHPGZLD-SECBINFHSA-N 1 2 388.173 2.005 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848744 532676722 /nfs/dbraw/zinc/67/67/22/532676722.db2.gz AIHUHQDPZNEAAD-SNVBAGLBSA-N 1 2 383.246 2.017 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848744 532676729 /nfs/dbraw/zinc/67/67/29/532676729.db2.gz AIHUHQDPZNEAAD-SNVBAGLBSA-N 1 2 383.246 2.017 20 0 GEADLO Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(Br)c1 ZINC000264472106 532676845 /nfs/dbraw/zinc/67/68/45/532676845.db2.gz UPXCQBUOLASDMV-GJZGRUSLSA-N 1 2 398.345 2.277 20 0 GEADLO O=C(Nc1cc(Cl)ccc1Br)C(=O)N1CCn2c[nH+]cc2C1 ZINC000378048955 532677241 /nfs/dbraw/zinc/67/72/41/532677241.db2.gz RENKEMSOJGUQOH-UHFFFAOYSA-N 1 2 383.633 2.280 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(Br)c2)C1 ZINC000535239928 532678552 /nfs/dbraw/zinc/67/85/52/532678552.db2.gz RGILRMBUXABEIJ-SNVBAGLBSA-N 1 2 395.232 2.276 20 0 GEADLO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000438891983 532679141 /nfs/dbraw/zinc/67/91/41/532679141.db2.gz BHRQALDYOGOHMW-SNVBAGLBSA-N 1 2 377.666 2.259 20 0 GEADLO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000438891983 532679142 /nfs/dbraw/zinc/67/91/42/532679142.db2.gz BHRQALDYOGOHMW-SNVBAGLBSA-N 1 2 377.666 2.259 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000285440655 532679806 /nfs/dbraw/zinc/67/98/06/532679806.db2.gz XFEGBWZDLSQWBU-UHFFFAOYSA-N 1 2 398.301 2.037 20 0 GEADLO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000600797406 532682295 /nfs/dbraw/zinc/68/22/95/532682295.db2.gz VCPCLZDCYNTQOO-ZWNOBZJWSA-N 1 2 384.263 2.083 20 0 GEADLO CNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000600797406 532682299 /nfs/dbraw/zinc/68/22/99/532682299.db2.gz VCPCLZDCYNTQOO-ZWNOBZJWSA-N 1 2 384.263 2.083 20 0 GEADLO CNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000600797403 532682551 /nfs/dbraw/zinc/68/25/51/532682551.db2.gz VCPCLZDCYNTQOO-MFKMUULPSA-N 1 2 384.263 2.083 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@H+](C[C@@H](O)c1ccc(Br)cc1)C1CC1 ZINC000264901396 532682539 /nfs/dbraw/zinc/68/25/39/532682539.db2.gz BTPGBYHRVNVQAE-IAQYHMDHSA-N 1 2 376.316 2.380 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@@H+](C[C@@H](O)c1ccc(Br)cc1)C1CC1 ZINC000264901396 532682547 /nfs/dbraw/zinc/68/25/47/532682547.db2.gz BTPGBYHRVNVQAE-IAQYHMDHSA-N 1 2 376.316 2.380 20 0 GEADLO CNC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000600797403 532682560 /nfs/dbraw/zinc/68/25/60/532682560.db2.gz VCPCLZDCYNTQOO-MFKMUULPSA-N 1 2 384.263 2.083 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285464489 532683157 /nfs/dbraw/zinc/68/31/57/532683157.db2.gz ZOCGTAYFABXLIE-SFHVURJKSA-N 1 2 397.313 2.289 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285464489 532683167 /nfs/dbraw/zinc/68/31/67/532683167.db2.gz ZOCGTAYFABXLIE-SFHVURJKSA-N 1 2 397.313 2.289 20 0 GEADLO COc1nsc(CN[C@H](c2[nH+]ccn2C)C(C)(C)CO)c1Br ZINC000639224754 532691471 /nfs/dbraw/zinc/69/14/71/532691471.db2.gz PWDMTFQDWHIORC-LLVKDONJSA-N 1 2 389.319 2.497 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000285584573 532693073 /nfs/dbraw/zinc/69/30/73/532693073.db2.gz XDYQMBRICKUIOW-UHFFFAOYSA-N 1 2 394.324 2.193 20 0 GEADLO COC(=O)C(C)(C)CS(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000569498623 532696320 /nfs/dbraw/zinc/69/63/20/532696320.db2.gz UDJQONULHGKOJP-CQSZACIVSA-N 1 2 376.906 2.061 20 0 GEADLO C[N@H+](CCO)Cc1cn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nn1 ZINC000640762193 532697200 /nfs/dbraw/zinc/69/72/00/532697200.db2.gz NVQSJYDLYJGUSW-UHFFFAOYSA-N 1 2 392.674 2.301 20 0 GEADLO C[N@@H+](CCO)Cc1cn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nn1 ZINC000640762193 532697206 /nfs/dbraw/zinc/69/72/06/532697206.db2.gz NVQSJYDLYJGUSW-UHFFFAOYSA-N 1 2 392.674 2.301 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000666688546 532701179 /nfs/dbraw/zinc/70/11/79/532701179.db2.gz QNKUJFWNSWWLBJ-UHFFFAOYSA-N 1 2 380.246 2.167 20 0 GEADLO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1Br ZINC000382545577 532701528 /nfs/dbraw/zinc/70/15/28/532701528.db2.gz DWKLLDPBUVZFNZ-AWEZNQCLSA-N 1 2 383.286 2.395 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000666693523 532702570 /nfs/dbraw/zinc/70/25/70/532702570.db2.gz UTVRSRJTIMYKCY-UHFFFAOYSA-N 1 2 380.246 2.282 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000378270964 532686979 /nfs/dbraw/zinc/68/69/79/532686979.db2.gz TWZVCOITHICGEG-LLVKDONJSA-N 1 2 383.857 2.038 20 0 GEADLO Cc1cc(Br)cn2cc(CCNc3ncnc4c3nnn4C)[nH+]c12 ZINC000663796454 532687254 /nfs/dbraw/zinc/68/72/54/532687254.db2.gz CSXBWJNMLMCCAW-UHFFFAOYSA-N 1 2 387.245 2.132 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000378264308 532688067 /nfs/dbraw/zinc/68/80/67/532688067.db2.gz CDOMJFOYLTYPBZ-LBPRGKRZSA-N 1 2 391.269 2.446 20 0 GEADLO CCc1ccccc1C[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439290574 532688642 /nfs/dbraw/zinc/68/86/42/532688642.db2.gz ZBKLYGVQBBRYEZ-UHFFFAOYSA-N 1 2 379.448 2.200 20 0 GEADLO Cc1cc(C(=O)N2CCN(c3nc(C)[nH+]c(C)c3Br)[C@H](C)C2)[nH]n1 ZINC000663993288 532689391 /nfs/dbraw/zinc/68/93/91/532689391.db2.gz IIENMQDENVDXGN-SNVBAGLBSA-N 1 2 393.289 2.238 20 0 GEADLO Cc1cc(C(=O)N2CCN(c3nc(C)[nH+]c(C)c3Br)[C@H](C)C2)n[nH]1 ZINC000663993288 532689393 /nfs/dbraw/zinc/68/93/93/532689393.db2.gz IIENMQDENVDXGN-SNVBAGLBSA-N 1 2 393.289 2.238 20 0 GEADLO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000378296796 532689447 /nfs/dbraw/zinc/68/94/47/532689447.db2.gz WFIVICSMNGSMOO-LBPRGKRZSA-N 1 2 379.309 2.230 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000536132684 532689980 /nfs/dbraw/zinc/68/99/80/532689980.db2.gz YNGBJNOQLYJOTC-NWDGAFQWSA-N 1 2 382.507 2.401 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000536132684 532689983 /nfs/dbraw/zinc/68/99/83/532689983.db2.gz YNGBJNOQLYJOTC-NWDGAFQWSA-N 1 2 382.507 2.401 20 0 GEADLO CC[N@H+](Cc1ccccc1Br)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000439332862 532690325 /nfs/dbraw/zinc/69/03/25/532690325.db2.gz SRIDLRNZYHZLEZ-CYBMUJFWSA-N 1 2 396.329 2.397 20 0 GEADLO CC[N@@H+](Cc1ccccc1Br)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000439332862 532690328 /nfs/dbraw/zinc/69/03/28/532690328.db2.gz SRIDLRNZYHZLEZ-CYBMUJFWSA-N 1 2 396.329 2.397 20 0 GEADLO C[C@H]1CC[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CS1(=O)=O ZINC000664368180 532690367 /nfs/dbraw/zinc/69/03/67/532690367.db2.gz FZGRBBORGSULNP-QWHCGFSZSA-N 1 2 386.543 2.216 20 0 GEADLO Cc1c(Br)ccnc1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000569694932 532703305 /nfs/dbraw/zinc/70/33/05/532703305.db2.gz STQXZCUZZPFVND-BXUZGUMPSA-N 1 2 383.290 2.337 20 0 GEADLO O=S(=O)(c1ccccc1C(F)(F)F)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266208456 532706703 /nfs/dbraw/zinc/70/67/03/532706703.db2.gz PYHHCQSSZOWKFN-CYBMUJFWSA-N 1 2 378.416 2.048 20 0 GEADLO Cc1cc(Br)c(S(=O)(=O)NCc2c[nH+]c(N(C)C)n2C)s1 ZINC000266212213 532707735 /nfs/dbraw/zinc/70/77/35/532707735.db2.gz VHGKEKXQHYUBHG-UHFFFAOYSA-N 1 2 393.332 2.097 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000299302054 532707899 /nfs/dbraw/zinc/70/78/99/532707899.db2.gz KKNFCJUAGVESJH-LLVKDONJSA-N 1 2 395.257 2.305 20 0 GEADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000299308866 532708674 /nfs/dbraw/zinc/70/86/74/532708674.db2.gz CPQGKSAUIFLEKC-LLVKDONJSA-N 1 2 391.896 2.162 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@@H+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@@H]21 ZINC000285800856 532709393 /nfs/dbraw/zinc/70/93/93/532709393.db2.gz DDLFNGMWUMJKSY-OLZOCXBDSA-N 1 2 392.257 2.097 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@H+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@@H]21 ZINC000285800856 532709401 /nfs/dbraw/zinc/70/94/01/532709401.db2.gz DDLFNGMWUMJKSY-OLZOCXBDSA-N 1 2 392.257 2.097 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1csc(CCc2ccccc2)n1 ZINC000440357777 532711874 /nfs/dbraw/zinc/71/18/74/532711874.db2.gz SHVXCOJPNIHOSH-QGZVFWFLSA-N 1 2 379.551 2.442 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1csc(CCc2ccccc2)n1 ZINC000440357777 532711880 /nfs/dbraw/zinc/71/18/80/532711880.db2.gz SHVXCOJPNIHOSH-QGZVFWFLSA-N 1 2 379.551 2.442 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000492209234 532712478 /nfs/dbraw/zinc/71/24/78/532712478.db2.gz SMQDDTLQZLGZSD-OAHLLOKOSA-N 1 2 391.331 2.104 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000492209234 532712487 /nfs/dbraw/zinc/71/24/87/532712487.db2.gz SMQDDTLQZLGZSD-OAHLLOKOSA-N 1 2 391.331 2.104 20 0 GEADLO C[C@H](Sc1nncn1C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000492180651 532712870 /nfs/dbraw/zinc/71/28/70/532712870.db2.gz IMQSNLFYVGTOCG-VIFPVBQESA-N 1 2 395.286 2.022 20 0 GEADLO O=C(NCCNc1cccc(Br)c1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494211244 532714093 /nfs/dbraw/zinc/71/40/93/532714093.db2.gz FCGZAHQCYJNHHT-MRXNPFEDSA-N 1 2 397.317 2.023 20 0 GEADLO O=C(NCCNc1cccc(Br)c1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494211244 532714094 /nfs/dbraw/zinc/71/40/94/532714094.db2.gz FCGZAHQCYJNHHT-MRXNPFEDSA-N 1 2 397.317 2.023 20 0 GEADLO COc1c(NC(=O)C2CC[NH+](CC(F)F)CC2)cc(Cl)cc1C(N)=O ZINC000285861123 532714788 /nfs/dbraw/zinc/71/47/88/532714788.db2.gz AZAVGKKTUXRUEX-UHFFFAOYSA-N 1 2 375.803 2.363 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000494310594 532716555 /nfs/dbraw/zinc/71/65/55/532716555.db2.gz KYHLIVHEGPRLFC-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[N@H+]1CCO ZINC000494310594 532716566 /nfs/dbraw/zinc/71/65/66/532716566.db2.gz KYHLIVHEGPRLFC-JTQLQIEISA-N 1 2 386.823 2.046 20 0 GEADLO COc1ccc([C@H](C)N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1Br ZINC000285902778 532717722 /nfs/dbraw/zinc/71/77/22/532717722.db2.gz KLTYAWYUNOGCNE-ZANVPECISA-N 1 2 393.241 2.405 20 0 GEADLO COc1ccc([C@H](C)N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cc1Br ZINC000285902778 532717726 /nfs/dbraw/zinc/71/77/26/532717726.db2.gz KLTYAWYUNOGCNE-ZANVPECISA-N 1 2 393.241 2.405 20 0 GEADLO Cc1ccc(NC(=O)CN2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(Br)c1 ZINC000285929708 532720141 /nfs/dbraw/zinc/72/01/41/532720141.db2.gz LQYVWUOOUBQLCC-CABCVRRESA-N 1 2 396.329 2.491 20 0 GEADLO CCN1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1=O ZINC000495244006 532720237 /nfs/dbraw/zinc/72/02/37/532720237.db2.gz PDJKJCJOKMSOGA-LLVKDONJSA-N 1 2 386.265 2.469 20 0 GEADLO CCN1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1=O ZINC000495244006 532720242 /nfs/dbraw/zinc/72/02/42/532720242.db2.gz PDJKJCJOKMSOGA-LLVKDONJSA-N 1 2 386.265 2.469 20 0 GEADLO Cc1ccc(NC(=O)CN2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(Br)c1 ZINC000285929715 532720615 /nfs/dbraw/zinc/72/06/15/532720615.db2.gz LQYVWUOOUBQLCC-GJZGRUSLSA-N 1 2 396.329 2.491 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1ccc(Br)cc1F ZINC000611216974 532721497 /nfs/dbraw/zinc/72/14/97/532721497.db2.gz RINZRCFBHLQPLA-AWEZNQCLSA-N 1 2 398.232 2.144 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1ccc(Br)cc1F ZINC000611216974 532721503 /nfs/dbraw/zinc/72/15/03/532721503.db2.gz RINZRCFBHLQPLA-AWEZNQCLSA-N 1 2 398.232 2.144 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2ccc(SC)cc2)C1 ZINC000646111120 532722481 /nfs/dbraw/zinc/72/24/81/532722481.db2.gz FBEVUNMZRCJKKR-HNNXBMFYSA-N 1 2 375.416 2.347 20 0 GEADLO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2ccc(SC)cc2)C1 ZINC000646111120 532722485 /nfs/dbraw/zinc/72/24/85/532722485.db2.gz FBEVUNMZRCJKKR-HNNXBMFYSA-N 1 2 375.416 2.347 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1CCc2cc(Br)ccc21 ZINC000285991784 532724604 /nfs/dbraw/zinc/72/46/04/532724604.db2.gz QDDYHXHALMBNAW-UONOGXRCSA-N 1 2 375.226 2.323 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1CCc2cc(Br)ccc21 ZINC000285991784 532724607 /nfs/dbraw/zinc/72/46/07/532724607.db2.gz QDDYHXHALMBNAW-UONOGXRCSA-N 1 2 375.226 2.323 20 0 GEADLO CC(C)OCC[NH+]1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000266809464 532725618 /nfs/dbraw/zinc/72/56/18/532725618.db2.gz MVBRREZWDNHLQS-UHFFFAOYSA-N 1 2 385.306 2.232 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)CCc1cccc(Cl)c1)[NH+]1CCN(C)CC1 ZINC000286032179 532726236 /nfs/dbraw/zinc/72/62/36/532726236.db2.gz PXPHLEUWSPSRIQ-GOSISDBHSA-N 1 2 387.977 2.074 20 0 GEADLO C[C@@H](CNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)c1nccs1 ZINC000576194584 532726679 /nfs/dbraw/zinc/72/66/79/532726679.db2.gz JFLHHZMMWDHYBF-ZDUSSCGKSA-N 1 2 381.523 2.012 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCN(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000499794428 532727119 /nfs/dbraw/zinc/72/71/19/532727119.db2.gz IYDSDZSDEHLXHP-CQSZACIVSA-N 1 2 394.317 2.182 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCN(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000499794428 532727124 /nfs/dbraw/zinc/72/71/24/532727124.db2.gz IYDSDZSDEHLXHP-CQSZACIVSA-N 1 2 394.317 2.182 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000266848435 532727197 /nfs/dbraw/zinc/72/71/97/532727197.db2.gz BKKWDGLIZYDBRQ-UHFFFAOYSA-N 1 2 387.311 2.204 20 0 GEADLO C[C@H](O)C[NH+]1CCN(c2cc(Br)cnc2Br)CC1 ZINC000286089826 532727635 /nfs/dbraw/zinc/72/76/35/532727635.db2.gz AKDFYLWEMYFARR-VIFPVBQESA-N 1 2 379.096 2.109 20 0 GEADLO CC[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000266847281 532727629 /nfs/dbraw/zinc/72/76/29/532727629.db2.gz PSRRNTXRFHDZHE-QWRGUYRKSA-N 1 2 379.452 2.158 20 0 GEADLO CC[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000266847281 532727633 /nfs/dbraw/zinc/72/76/33/532727633.db2.gz PSRRNTXRFHDZHE-QWRGUYRKSA-N 1 2 379.452 2.158 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266877855 532728128 /nfs/dbraw/zinc/72/81/28/532728128.db2.gz VEROHDUIFSXOIY-NSHDSACASA-N 1 2 387.311 2.202 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266877853 532728425 /nfs/dbraw/zinc/72/84/25/532728425.db2.gz VEROHDUIFSXOIY-LLVKDONJSA-N 1 2 387.311 2.202 20 0 GEADLO COc1coc(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)cc1=O ZINC000409945528 532730396 /nfs/dbraw/zinc/73/03/96/532730396.db2.gz YKDZOWUQDYZGKA-UHFFFAOYSA-N 1 2 392.209 2.297 20 0 GEADLO COC(=O)C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000299616595 532730529 /nfs/dbraw/zinc/73/05/29/532730529.db2.gz PPUONSNJKDCLGZ-CQSZACIVSA-N 1 2 380.242 2.456 20 0 GEADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)c3coc(Br)c3)ccn2)CC1 ZINC000540624804 532742065 /nfs/dbraw/zinc/74/20/65/532742065.db2.gz KIKDRCMNZXWUJM-UHFFFAOYSA-N 1 2 393.241 2.077 20 0 GEADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC000301158226 532742506 /nfs/dbraw/zinc/74/25/06/532742506.db2.gz SCZWKNXYQPUSSI-LLVKDONJSA-N 1 2 386.930 2.327 20 0 GEADLO Cc1cc(Br)cc(C)c1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000267503851 532742942 /nfs/dbraw/zinc/74/29/42/532742942.db2.gz VMBYUHAQJCRYGS-UHFFFAOYSA-N 1 2 397.317 2.479 20 0 GEADLO O=C(Cc1noc2ccc(Br)cc12)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000579705580 532743007 /nfs/dbraw/zinc/74/30/07/532743007.db2.gz PZKUPMQDHOYWGI-LLVKDONJSA-N 1 2 375.226 2.461 20 0 GEADLO COc1nc(N2CCN(c3cc[nH+]c(C4CC4)n3)CC2)ncc1Br ZINC000267519937 532743804 /nfs/dbraw/zinc/74/38/04/532743804.db2.gz PDQWLLQNTWWNGF-UHFFFAOYSA-N 1 2 391.273 2.242 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000286395488 532744267 /nfs/dbraw/zinc/74/42/67/532744267.db2.gz HDHUDUZUMZZYAO-HNNXBMFYSA-N 1 2 379.400 2.278 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000286395488 532744270 /nfs/dbraw/zinc/74/42/70/532744270.db2.gz HDHUDUZUMZZYAO-HNNXBMFYSA-N 1 2 379.400 2.278 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)c1 ZINC000579925835 532744932 /nfs/dbraw/zinc/74/49/32/532744932.db2.gz VNHULUGIUUHVQA-UHFFFAOYSA-N 1 2 376.873 2.326 20 0 GEADLO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cs1 ZINC000613635049 532733341 /nfs/dbraw/zinc/73/33/41/532733341.db2.gz SSYFSAPAULRFEY-CYBMUJFWSA-N 1 2 381.523 2.332 20 0 GEADLO COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cs1 ZINC000613635049 532733343 /nfs/dbraw/zinc/73/33/43/532733343.db2.gz SSYFSAPAULRFEY-CYBMUJFWSA-N 1 2 381.523 2.332 20 0 GEADLO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)cs1 ZINC000613635050 532733621 /nfs/dbraw/zinc/73/36/21/532733621.db2.gz SSYFSAPAULRFEY-ZDUSSCGKSA-N 1 2 381.523 2.332 20 0 GEADLO COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)cs1 ZINC000613635050 532733623 /nfs/dbraw/zinc/73/36/23/532733623.db2.gz SSYFSAPAULRFEY-ZDUSSCGKSA-N 1 2 381.523 2.332 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000442758848 532734507 /nfs/dbraw/zinc/73/45/07/532734507.db2.gz PMBXFRRYVQGBBM-UHFFFAOYSA-N 1 2 397.400 2.080 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000501187044 532737559 /nfs/dbraw/zinc/73/75/59/532737559.db2.gz PDDKCMCFJKKUNE-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000501187044 532737566 /nfs/dbraw/zinc/73/75/66/532737566.db2.gz PDDKCMCFJKKUNE-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO O=C(NC[C@H]1CN2CC[N@@H+]1CCC2)c1c[nH]c2cccc(Br)c12 ZINC000614502736 532738601 /nfs/dbraw/zinc/73/86/01/532738601.db2.gz MBKXQBCRUCPGDC-LBPRGKRZSA-N 1 2 377.286 2.050 20 0 GEADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000443008986 532738620 /nfs/dbraw/zinc/73/86/20/532738620.db2.gz IPCPIXGYVQTYKT-UHFFFAOYSA-N 1 2 384.255 2.158 20 0 GEADLO O=C(NC[C@H]1CN2CC[N@H+]1CCC2)c1c[nH]c2cccc(Br)c12 ZINC000614502736 532738607 /nfs/dbraw/zinc/73/86/07/532738607.db2.gz MBKXQBCRUCPGDC-LBPRGKRZSA-N 1 2 377.286 2.050 20 0 GEADLO Cc1ccc(CCC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)c(Br)c1 ZINC000614504467 532739288 /nfs/dbraw/zinc/73/92/88/532739288.db2.gz WIQPNVJNVZJVDH-MRXNPFEDSA-N 1 2 380.330 2.196 20 0 GEADLO Cc1ccc(CCC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)c(Br)c1 ZINC000614504467 532739296 /nfs/dbraw/zinc/73/92/96/532739296.db2.gz WIQPNVJNVZJVDH-MRXNPFEDSA-N 1 2 380.330 2.196 20 0 GEADLO COC(=O)[C@@H](c1cccc(Br)c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000501207156 532739676 /nfs/dbraw/zinc/73/96/76/532739676.db2.gz UTNDEBUUXIVYNN-MRXNPFEDSA-N 1 2 393.285 2.204 20 0 GEADLO CCOC(=O)C1(O)CC[NH+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000286329013 532740439 /nfs/dbraw/zinc/74/04/39/532740439.db2.gz IAFSTPMUHUOLHD-UHFFFAOYSA-N 1 2 383.242 2.480 20 0 GEADLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ncc(Br)cn3)CC2)C1 ZINC000301086341 532740723 /nfs/dbraw/zinc/74/07/23/532740723.db2.gz LTJAMFOXERMDHB-ZFWWWQNUSA-N 1 2 396.333 2.056 20 0 GEADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)NCC(F)(F)F)c(C)c1 ZINC000443020653 532740874 /nfs/dbraw/zinc/74/08/74/532740874.db2.gz GZPNQVGGDOAKIV-AWEZNQCLSA-N 1 2 376.404 2.228 20 0 GEADLO CCC[N@H+](Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000506790621 532755341 /nfs/dbraw/zinc/75/53/41/532755341.db2.gz ONNZXBRIJFMKAC-GFCCVEGCSA-N 1 2 377.409 2.416 20 0 GEADLO CCC[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000506790621 532755344 /nfs/dbraw/zinc/75/53/44/532755344.db2.gz ONNZXBRIJFMKAC-GFCCVEGCSA-N 1 2 377.409 2.416 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1Br ZINC000507135945 532756999 /nfs/dbraw/zinc/75/69/99/532756999.db2.gz VQKYARHSVFEPJX-LBPRGKRZSA-N 1 2 377.304 2.058 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1Br ZINC000507135945 532757004 /nfs/dbraw/zinc/75/70/04/532757004.db2.gz VQKYARHSVFEPJX-LBPRGKRZSA-N 1 2 377.304 2.058 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000286644297 532760038 /nfs/dbraw/zinc/76/00/38/532760038.db2.gz DHVCQZQWMDKBEW-WCQYABFASA-N 1 2 393.285 2.261 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000620477046 532763385 /nfs/dbraw/zinc/76/33/85/532763385.db2.gz MGUHODVRDXWLPV-LLVKDONJSA-N 1 2 376.463 2.444 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(Br)cc(N(C)C)c2)CCO1 ZINC000508580162 532762917 /nfs/dbraw/zinc/76/29/17/532762917.db2.gz RAVDJDAGICSMLP-INIZCTEOSA-N 1 2 384.318 2.356 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc(N(C)C)c2)CCO1 ZINC000508580162 532762924 /nfs/dbraw/zinc/76/29/24/532762924.db2.gz RAVDJDAGICSMLP-INIZCTEOSA-N 1 2 384.318 2.356 20 0 GEADLO Cc1sc2nc(C[NH+]3CCCC3)nc(-n3cnnc3[S@@](C)=O)c2c1C ZINC000301300204 532748398 /nfs/dbraw/zinc/74/83/98/532748398.db2.gz UKSTWSHVSDQHII-RUZDIDTESA-N 1 2 376.511 2.222 20 0 GEADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)NC[C@@H]1CSCCS1 ZINC000267817980 532750388 /nfs/dbraw/zinc/75/03/88/532750388.db2.gz GFGZUXVJQPQWDY-QGZVFWFLSA-N 1 2 381.567 2.167 20 0 GEADLO CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)cs2)cc1 ZINC000541323490 532751627 /nfs/dbraw/zinc/75/16/27/532751627.db2.gz DPISUIWVBCESHP-XKQJLSEDSA-N 1 2 378.519 2.416 20 0 GEADLO CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)cs2)cc1 ZINC000541323490 532751631 /nfs/dbraw/zinc/75/16/31/532751631.db2.gz DPISUIWVBCESHP-XKQJLSEDSA-N 1 2 378.519 2.416 20 0 GEADLO Cn1ncc2c1nc(N[C@@H]1CCN(c3ccccc3Br)C1)[nH+]c2N ZINC000302901457 532774934 /nfs/dbraw/zinc/77/49/34/532774934.db2.gz TVFPFQPTHZUUGD-SNVBAGLBSA-N 1 2 388.273 2.399 20 0 GEADLO CC[C@H]([NH2+]CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)c1nc(C)cs1 ZINC000542556843 532775222 /nfs/dbraw/zinc/77/52/22/532775222.db2.gz XZLWIIVEURTZFF-GJZGRUSLSA-N 1 2 387.571 2.164 20 0 GEADLO Cn1cnnc1C[N@H+](C)CCCOc1cccc(I)c1 ZINC000286985842 532777300 /nfs/dbraw/zinc/77/73/00/532777300.db2.gz PAUXDFIAKKOQLP-UHFFFAOYSA-N 1 2 386.237 2.321 20 0 GEADLO Cn1cnnc1C[N@@H+](C)CCCOc1cccc(I)c1 ZINC000286985842 532777307 /nfs/dbraw/zinc/77/73/07/532777307.db2.gz PAUXDFIAKKOQLP-UHFFFAOYSA-N 1 2 386.237 2.321 20 0 GEADLO C[C@H]([NH2+]Cc1ncc(I)s1)C(=O)N1CCCCC1 ZINC000310665275 532777878 /nfs/dbraw/zinc/77/78/78/532777878.db2.gz ZZVHBKQHJSILKB-VIFPVBQESA-N 1 2 379.267 2.238 20 0 GEADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1nnnn1CCOCC(F)(F)F ZINC000451409033 532764550 /nfs/dbraw/zinc/76/45/50/532764550.db2.gz PFIFVQKBJZGBTP-NXEZZACHSA-N 1 2 375.317 2.415 20 0 GEADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1nnnn1CCOCC(F)(F)F ZINC000451409033 532764559 /nfs/dbraw/zinc/76/45/59/532764559.db2.gz PFIFVQKBJZGBTP-NXEZZACHSA-N 1 2 375.317 2.415 20 0 GEADLO O=C(CS(=O)(=O)C1CC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000451591114 532765938 /nfs/dbraw/zinc/76/59/38/532765938.db2.gz CWFTVMJIQQEXOK-UHFFFAOYSA-N 1 2 381.885 2.143 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000509406555 532769066 /nfs/dbraw/zinc/76/90/66/532769066.db2.gz XMJAEWVERVFPML-VIFPVBQESA-N 1 2 381.281 2.105 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000509406555 532769068 /nfs/dbraw/zinc/76/90/68/532769068.db2.gz XMJAEWVERVFPML-VIFPVBQESA-N 1 2 381.281 2.105 20 0 GEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000268993230 532773923 /nfs/dbraw/zinc/77/39/23/532773923.db2.gz WNLGLZREPBXUED-KGLIPLIRSA-N 1 2 384.523 2.378 20 0 GEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000268993230 532773928 /nfs/dbraw/zinc/77/39/28/532773928.db2.gz WNLGLZREPBXUED-KGLIPLIRSA-N 1 2 384.523 2.378 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287075714 532782689 /nfs/dbraw/zinc/78/26/89/532782689.db2.gz LOQYBYOPNHDCRF-WCQYABFASA-N 1 2 383.290 2.479 20 0 GEADLO C[C@@H](c1ncc(Br)cn1)[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411964925 532782911 /nfs/dbraw/zinc/78/29/11/532782911.db2.gz JOBJLUINKJAWTG-YVEFUNNKSA-N 1 2 375.270 2.429 20 0 GEADLO C[C@@H](c1ncc(Br)cn1)[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411964925 532782915 /nfs/dbraw/zinc/78/29/15/532782915.db2.gz JOBJLUINKJAWTG-YVEFUNNKSA-N 1 2 375.270 2.429 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000412067228 532784039 /nfs/dbraw/zinc/78/40/39/532784039.db2.gz FXDMFJRKQJRUDQ-JTQLQIEISA-N 1 2 383.470 2.212 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000412067228 532784043 /nfs/dbraw/zinc/78/40/43/532784043.db2.gz FXDMFJRKQJRUDQ-JTQLQIEISA-N 1 2 383.470 2.212 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+]([C@H](C)C(=O)Nc2nc3ccccc3s2)C1 ZINC000412069620 532784269 /nfs/dbraw/zinc/78/42/69/532784269.db2.gz HOVRGQJDWJZIQA-NEPJUHHUSA-N 1 2 379.507 2.461 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+]([C@H](C)C(=O)Nc2nc3ccccc3s2)C1 ZINC000412069620 532784272 /nfs/dbraw/zinc/78/42/72/532784272.db2.gz HOVRGQJDWJZIQA-NEPJUHHUSA-N 1 2 379.507 2.461 20 0 GEADLO CN1CC[N@H+](C)C[C@@H]1c1noc(COc2ccc(Br)cc2F)n1 ZINC000545793610 532784525 /nfs/dbraw/zinc/78/45/25/532784525.db2.gz KVXWQERMGDTPNP-GFCCVEGCSA-N 1 2 385.237 2.469 20 0 GEADLO CN1CC[N@@H+](C)C[C@@H]1c1noc(COc2ccc(Br)cc2F)n1 ZINC000545793610 532784529 /nfs/dbraw/zinc/78/45/29/532784529.db2.gz KVXWQERMGDTPNP-GFCCVEGCSA-N 1 2 385.237 2.469 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000459570394 532796746 /nfs/dbraw/zinc/79/67/46/532796746.db2.gz ZYBBCHCOZKIQNF-UHFFFAOYSA-N 1 2 377.304 2.058 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000412082933 532785158 /nfs/dbraw/zinc/78/51/58/532785158.db2.gz RVSXUEJAKARELG-LBPRGKRZSA-N 1 2 386.901 2.434 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000412082933 532785161 /nfs/dbraw/zinc/78/51/61/532785161.db2.gz RVSXUEJAKARELG-LBPRGKRZSA-N 1 2 386.901 2.434 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)c3cnc(N(C)C)cn3)[nH+]c12 ZINC000546818005 532786141 /nfs/dbraw/zinc/78/61/41/532786141.db2.gz BGJKGPZVZMBHCU-UHFFFAOYSA-N 1 2 389.257 2.191 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000287248809 532788541 /nfs/dbraw/zinc/78/85/41/532788541.db2.gz JURXUIHCVSEQRB-WCQYABFASA-N 1 2 393.285 2.261 20 0 GEADLO COCCO[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000548683809 532793438 /nfs/dbraw/zinc/79/34/38/532793438.db2.gz CFFMZMGUNKRJRO-SMDDNHRTSA-N 1 2 387.263 2.363 20 0 GEADLO COCCO[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000548683809 532793439 /nfs/dbraw/zinc/79/34/39/532793439.db2.gz CFFMZMGUNKRJRO-SMDDNHRTSA-N 1 2 387.263 2.363 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)CSCc2cccc(Cl)c2)CC1 ZINC000412552572 532794852 /nfs/dbraw/zinc/79/48/52/532794852.db2.gz MVZZWWKXKAZLEH-UHFFFAOYSA-N 1 2 386.945 2.379 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000270169471 532795503 /nfs/dbraw/zinc/79/55/03/532795503.db2.gz HIGYFKNXZJRHBU-MRVPVSSYSA-N 1 2 380.214 2.291 20 0 GEADLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)Nc1cccc(I)c1 ZINC000514194644 532781000 /nfs/dbraw/zinc/78/10/00/532781000.db2.gz KKVQGMHXJDIWKM-UONOGXRCSA-N 1 2 386.233 2.483 20 0 GEADLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)Nc1cccc(I)c1 ZINC000514194644 532781005 /nfs/dbraw/zinc/78/10/05/532781005.db2.gz KKVQGMHXJDIWKM-UONOGXRCSA-N 1 2 386.233 2.483 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000555695955 532808636 /nfs/dbraw/zinc/80/86/36/532808636.db2.gz KVVCBUOCGXWBPO-JTQLQIEISA-N 1 2 376.259 2.474 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@](F)(CO)C3)[nH+]c12 ZINC000287810078 532810312 /nfs/dbraw/zinc/81/03/12/532810312.db2.gz AYYRADYJKLOBEF-INIZCTEOSA-N 1 2 399.264 2.411 20 0 GEADLO CN(Cc1cc[nH]n1)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000556669538 532811424 /nfs/dbraw/zinc/81/14/24/532811424.db2.gz ZMRGKIXXPLGMDN-UHFFFAOYSA-N 1 2 395.261 2.068 20 0 GEADLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)Cc3ccc(Cl)s3)CC[C@@H]21 ZINC000328995219 532800721 /nfs/dbraw/zinc/80/07/21/532800721.db2.gz WFBOEZLOKUCFDK-KGLIPLIRSA-N 1 2 384.933 2.441 20 0 GEADLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)Cc3ccc(Cl)s3)CC[C@@H]21 ZINC000328995219 532800726 /nfs/dbraw/zinc/80/07/26/532800726.db2.gz WFBOEZLOKUCFDK-KGLIPLIRSA-N 1 2 384.933 2.441 20 0 GEADLO CS(=O)(=O)Cc1nc(CNc2ccccc2C[NH+]2CCOCC2)cs1 ZINC000462234794 532801753 /nfs/dbraw/zinc/80/17/53/532801753.db2.gz OABYTXVSDONHDL-UHFFFAOYSA-N 1 2 381.523 2.132 20 0 GEADLO C[C@@H](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)c1ccc(F)c(Br)c1 ZINC000462249770 532801999 /nfs/dbraw/zinc/80/19/99/532801999.db2.gz WEYSJOCDHXATIP-JSGCOSHPSA-N 1 2 384.293 2.198 20 0 GEADLO Cc1nc(-c2cc3c(s2)CC[N@H+](CC2(O)CCS(=O)(=O)CC2)C3)cs1 ZINC000329141152 532802750 /nfs/dbraw/zinc/80/27/50/532802750.db2.gz KBFCIDSQSPCTPU-UHFFFAOYSA-N 1 2 398.575 2.478 20 0 GEADLO Cc1nc(-c2cc3c(s2)CC[N@@H+](CC2(O)CCS(=O)(=O)CC2)C3)cs1 ZINC000329141152 532802751 /nfs/dbraw/zinc/80/27/51/532802751.db2.gz KBFCIDSQSPCTPU-UHFFFAOYSA-N 1 2 398.575 2.478 20 0 GEADLO Cc1nc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)sc1Br ZINC000329143449 532802826 /nfs/dbraw/zinc/80/28/26/532802826.db2.gz MEKHOZDNLMGZOE-GXSJLCMTSA-N 1 2 394.360 2.461 20 0 GEADLO Cc1nc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)sc1Br ZINC000329143449 532802828 /nfs/dbraw/zinc/80/28/28/532802828.db2.gz MEKHOZDNLMGZOE-GXSJLCMTSA-N 1 2 394.360 2.461 20 0 GEADLO Cc1nc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)sc1Br ZINC000329143450 532803132 /nfs/dbraw/zinc/80/31/32/532803132.db2.gz MEKHOZDNLMGZOE-KOLCDFICSA-N 1 2 394.360 2.461 20 0 GEADLO Cc1nc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)sc1Br ZINC000329143450 532803134 /nfs/dbraw/zinc/80/31/34/532803134.db2.gz MEKHOZDNLMGZOE-KOLCDFICSA-N 1 2 394.360 2.461 20 0 GEADLO O=C(c1cc(Br)cnc1OCC1CC1)N1CCn2cc[nH+]c2C1 ZINC000329180382 532803572 /nfs/dbraw/zinc/80/35/72/532803572.db2.gz NUHYOOGSFUUDSJ-UHFFFAOYSA-N 1 2 377.242 2.485 20 0 GEADLO CC(C)(C)c1nc(CN2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)cs1 ZINC000329205130 532803617 /nfs/dbraw/zinc/80/36/17/532803617.db2.gz WWPQNVDWCMAENG-UHFFFAOYSA-N 1 2 385.599 2.383 20 0 GEADLO O=C1[C@@H]([N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000329206827 532803862 /nfs/dbraw/zinc/80/38/62/532803862.db2.gz YJGOZEZNUCWYDE-NZVBXONLSA-N 1 2 389.304 2.218 20 0 GEADLO O=C1[C@@H]([N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000329206827 532803863 /nfs/dbraw/zinc/80/38/63/532803863.db2.gz YJGOZEZNUCWYDE-NZVBXONLSA-N 1 2 389.304 2.218 20 0 GEADLO C[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1)c1cscn1 ZINC000271172101 532803914 /nfs/dbraw/zinc/80/39/14/532803914.db2.gz UJORSNFINUFWCV-AWEZNQCLSA-N 1 2 381.523 2.156 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000287901669 532813108 /nfs/dbraw/zinc/81/31/08/532813108.db2.gz RALIGLXTOKDFIM-INIZCTEOSA-N 1 2 397.317 2.269 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCSc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000329922490 532813122 /nfs/dbraw/zinc/81/31/22/532813122.db2.gz TZHHACTWMUDDRX-OAHLLOKOSA-N 1 2 385.555 2.069 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCSc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000329922490 532813125 /nfs/dbraw/zinc/81/31/25/532813125.db2.gz TZHHACTWMUDDRX-OAHLLOKOSA-N 1 2 385.555 2.069 20 0 GEADLO CC(C)(CNS(=O)(=O)Cc1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000330418376 532818030 /nfs/dbraw/zinc/81/80/30/532818030.db2.gz OXXMHESTLQTWEA-UHFFFAOYSA-N 1 2 380.432 2.236 20 0 GEADLO CC1CCN(c2ccc(CNS(=O)(=O)c3c(Cl)cnn3C)c[nH+]2)CC1 ZINC000330244258 532816449 /nfs/dbraw/zinc/81/64/49/532816449.db2.gz DBKCQEUQMNIFGM-UHFFFAOYSA-N 1 2 383.905 2.183 20 0 GEADLO CCN1CCN(S(=O)(=O)c2ccc3ncsc3c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330305936 532816890 /nfs/dbraw/zinc/81/68/90/532816890.db2.gz RBNBYDXIVYUBNW-CQSZACIVSA-N 1 2 377.495 2.087 20 0 GEADLO CCN1CCN(S(=O)(=O)c2cnc3ccsc3c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330308905 532816933 /nfs/dbraw/zinc/81/69/33/532816933.db2.gz TVKYPOKGJCVGRD-CQSZACIVSA-N 1 2 377.495 2.087 20 0 GEADLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414065077 532818531 /nfs/dbraw/zinc/81/85/31/532818531.db2.gz FJWBEYLJIXTOJJ-WDEREUQCSA-N 1 2 383.495 2.250 20 0 GEADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000414064737 532818940 /nfs/dbraw/zinc/81/89/40/532818940.db2.gz GBBYPWMLFVLJKH-NSHDSACASA-N 1 2 383.495 2.031 20 0 GEADLO CN1CC[NH+](C[C@H](O)COc2cc(F)c(Br)cc2Cl)CC1 ZINC000414124235 532819104 /nfs/dbraw/zinc/81/91/04/532819104.db2.gz KJBQXHAAAKCBKM-JTQLQIEISA-N 1 2 381.673 2.229 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCc3nccn3C)[nH+]c12 ZINC000273406652 532823699 /nfs/dbraw/zinc/82/36/99/532823699.db2.gz PWIOXZHDSABKQL-UHFFFAOYSA-N 1 2 391.273 2.181 20 0 GEADLO COC(=O)NCCCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273251145 532821559 /nfs/dbraw/zinc/82/15/59/532821559.db2.gz GVEVZEXQBNHOEN-UHFFFAOYSA-N 1 2 397.273 2.200 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c(Cl)c1OC ZINC000330627189 532822788 /nfs/dbraw/zinc/82/27/88/532822788.db2.gz WUUCFRYIGXFINJ-CYBMUJFWSA-N 1 2 376.906 2.259 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c(Cl)c1OC ZINC000330627189 532822789 /nfs/dbraw/zinc/82/27/89/532822789.db2.gz WUUCFRYIGXFINJ-CYBMUJFWSA-N 1 2 376.906 2.259 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c(Cl)c1OC ZINC000330627190 532822900 /nfs/dbraw/zinc/82/29/00/532822900.db2.gz WUUCFRYIGXFINJ-ZDUSSCGKSA-N 1 2 376.906 2.259 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c(Cl)c1OC ZINC000330627190 532822903 /nfs/dbraw/zinc/82/29/03/532822903.db2.gz WUUCFRYIGXFINJ-ZDUSSCGKSA-N 1 2 376.906 2.259 20 0 GEADLO CCn1cc(S(=O)(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)cn1 ZINC000273579744 532827060 /nfs/dbraw/zinc/82/70/60/532827060.db2.gz IAPANYYQBRKPAR-UHFFFAOYSA-N 1 2 398.286 2.100 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3CCC[C@@H]3O)[nH+]c12 ZINC000273577399 532827174 /nfs/dbraw/zinc/82/71/74/532827174.db2.gz NAAQXRJZRTYZRP-DOMZBBRYSA-N 1 2 395.301 2.408 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H](O)C(C)C)[nH+]c12 ZINC000273585669 532827264 /nfs/dbraw/zinc/82/72/64/532827264.db2.gz QMCVQEWHBNYLNQ-CQSZACIVSA-N 1 2 383.290 2.264 20 0 GEADLO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000288434755 532827274 /nfs/dbraw/zinc/82/72/74/532827274.db2.gz BWSYRENHGXAXIS-JOYOIKCWSA-N 1 2 375.281 2.097 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)Cn1cc[nH+]c1 ZINC000414455484 532827989 /nfs/dbraw/zinc/82/79/89/532827989.db2.gz AVHRSLVMYKHPHN-JTQLQIEISA-N 1 2 376.251 2.399 20 0 GEADLO COC(C[N@H+](CCCO)CC(=O)Nc1ccc(SC(F)F)cc1)OC ZINC000273633436 532828625 /nfs/dbraw/zinc/82/86/25/532828625.db2.gz SOEPYFFDGQYRDF-UHFFFAOYSA-N 1 2 378.441 2.243 20 0 GEADLO COC(C[N@@H+](CCCO)CC(=O)Nc1ccc(SC(F)F)cc1)OC ZINC000273633436 532828626 /nfs/dbraw/zinc/82/86/26/532828626.db2.gz SOEPYFFDGQYRDF-UHFFFAOYSA-N 1 2 378.441 2.243 20 0 GEADLO CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(C[NH+](C)C)cs2)c1 ZINC000414458727 532829032 /nfs/dbraw/zinc/82/90/32/532829032.db2.gz NOKYGLWAXBXHIX-UHFFFAOYSA-N 1 2 383.495 2.491 20 0 GEADLO CC1(CO)CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000330893564 532829123 /nfs/dbraw/zinc/82/91/23/532829123.db2.gz YYRBEXNLSDNMHP-UHFFFAOYSA-N 1 2 376.316 2.317 20 0 GEADLO COC(=O)C(C)(C)CNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273639811 532829140 /nfs/dbraw/zinc/82/91/40/532829140.db2.gz HDVWARJWZGJHEF-UHFFFAOYSA-N 1 2 397.273 2.404 20 0 GEADLO OC[C@@H]1C[N@H+](Cc2ccc(Br)c(Br)c2)CC[C@@H]1O ZINC000414554341 532831471 /nfs/dbraw/zinc/83/14/71/532831471.db2.gz GWLUNUFCBHURRP-GWCFXTLKSA-N 1 2 379.092 2.387 20 0 GEADLO OC[C@@H]1C[N@@H+](Cc2ccc(Br)c(Br)c2)CC[C@@H]1O ZINC000414554341 532831473 /nfs/dbraw/zinc/83/14/73/532831473.db2.gz GWLUNUFCBHURRP-GWCFXTLKSA-N 1 2 379.092 2.387 20 0 GEADLO OC[C@H]1C[N@H+](Cc2ccc(Br)c(Br)c2)CC[C@H]1O ZINC000414554348 532831963 /nfs/dbraw/zinc/83/19/63/532831963.db2.gz GWLUNUFCBHURRP-ZWNOBZJWSA-N 1 2 379.092 2.387 20 0 GEADLO OC[C@H]1C[N@@H+](Cc2ccc(Br)c(Br)c2)CC[C@H]1O ZINC000414554348 532831964 /nfs/dbraw/zinc/83/19/64/532831964.db2.gz GWLUNUFCBHURRP-ZWNOBZJWSA-N 1 2 379.092 2.387 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC2=CC[N@H+](C)CC2)c(F)c1Cl ZINC000273706673 532832265 /nfs/dbraw/zinc/83/22/65/532832265.db2.gz DQVWSFRNUYZNLE-UHFFFAOYSA-N 1 2 393.843 2.117 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC2=CC[N@@H+](C)CC2)c(F)c1Cl ZINC000273706673 532832266 /nfs/dbraw/zinc/83/22/66/532832266.db2.gz DQVWSFRNUYZNLE-UHFFFAOYSA-N 1 2 393.843 2.117 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC[C@](C)([NH2+]CC(=O)[O-])C3)c[nH+]c12 ZINC000414645713 532833672 /nfs/dbraw/zinc/83/36/72/532833672.db2.gz AFTCGXRQPRMDQW-INIZCTEOSA-N 1 2 381.274 2.044 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@@H]1C ZINC000331231818 532836412 /nfs/dbraw/zinc/83/64/12/532836412.db2.gz QXAVUDIJPQIMNG-VHSXEESVSA-N 1 2 385.288 2.208 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@@H]1C ZINC000331231818 532836413 /nfs/dbraw/zinc/83/64/13/532836413.db2.gz QXAVUDIJPQIMNG-VHSXEESVSA-N 1 2 385.288 2.208 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000359877086 212121221 /nfs/dbraw/zinc/12/12/21/212121221.db2.gz VXUMYYUGHQPHBO-CZUORRHYSA-N 1 2 380.851 2.074 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000359877086 212121225 /nfs/dbraw/zinc/12/12/25/212121225.db2.gz VXUMYYUGHQPHBO-CZUORRHYSA-N 1 2 380.851 2.074 20 0 GEADLO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000328627105 212087050 /nfs/dbraw/zinc/08/70/50/212087050.db2.gz MIXAPGBZOBMYJB-NVXWUHKLSA-N 1 2 395.529 2.088 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)CCCC(=O)N(C)C)[nH+]c12 ZINC000274143259 532841665 /nfs/dbraw/zinc/84/16/65/532841665.db2.gz DXWCVXKEJDJGQV-UHFFFAOYSA-N 1 2 381.274 2.280 20 0 GEADLO CNC(=O)CCCN(C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274175327 532843143 /nfs/dbraw/zinc/84/31/43/532843143.db2.gz IYIPWZCJTFXQML-UHFFFAOYSA-N 1 2 396.289 2.073 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)Oc1cc(Br)ccc1F ZINC000274190650 532843447 /nfs/dbraw/zinc/84/34/47/532843447.db2.gz FBBANPSMKIPBJO-UHFFFAOYSA-N 1 2 382.251 2.019 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000274224735 532844799 /nfs/dbraw/zinc/84/47/99/532844799.db2.gz VTEYJMYBNAYJDC-CYBMUJFWSA-N 1 2 375.874 2.014 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000274224735 532844801 /nfs/dbraw/zinc/84/48/01/532844801.db2.gz VTEYJMYBNAYJDC-CYBMUJFWSA-N 1 2 375.874 2.014 20 0 GEADLO CO[C@@H](C)c1nc(CN(Cc2cn3c([nH+]2)CCCC3)S(C)(=O)=O)cs1 ZINC000331811088 532844874 /nfs/dbraw/zinc/84/48/74/532844874.db2.gz NOPFOLSTVSVNMP-LBPRGKRZSA-N 1 2 384.527 2.345 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000274247356 532846184 /nfs/dbraw/zinc/84/61/84/532846184.db2.gz WDOZRRJFMICXGK-UHFFFAOYSA-N 1 2 385.917 2.006 20 0 GEADLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1nc(Cl)ccc1Cl ZINC000274313219 532847656 /nfs/dbraw/zinc/84/76/56/532847656.db2.gz MTUDLIITUQACIL-ZDUSSCGKSA-N 1 2 375.300 2.371 20 0 GEADLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1nc(Cl)ccc1Cl ZINC000274313219 532847658 /nfs/dbraw/zinc/84/76/58/532847658.db2.gz MTUDLIITUQACIL-ZDUSSCGKSA-N 1 2 375.300 2.371 20 0 GEADLO CO[C@H]1CCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)[C@H](C[NH3+])C1 ZINC000415478173 532846993 /nfs/dbraw/zinc/84/69/93/532846993.db2.gz FZMWGYYQEHCHQV-QWRGUYRKSA-N 1 2 381.889 2.250 20 0 GEADLO CO[C@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)[C@@H](C[NH3+])C1 ZINC000415484654 532847133 /nfs/dbraw/zinc/84/71/33/532847133.db2.gz NUUOUSGSJSWHNC-OLZOCXBDSA-N 1 2 381.889 2.250 20 0 GEADLO Cc1cc(NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)c(F)cc1Br ZINC000289169234 532848914 /nfs/dbraw/zinc/84/89/14/532848914.db2.gz KAXPRBVRQMUCHP-UHFFFAOYSA-N 1 2 383.221 2.227 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000289156337 532849072 /nfs/dbraw/zinc/84/90/72/532849072.db2.gz RYLLMWRRUIZVDT-DGCLKSJQSA-N 1 2 386.279 2.254 20 0 GEADLO Cc1cc(Br)cc2c1C[N@H+](CCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000332179769 532849225 /nfs/dbraw/zinc/84/92/25/532849225.db2.gz RZFFFKXYRDFBIN-UHFFFAOYSA-N 1 2 380.286 2.446 20 0 GEADLO Cc1cc(Br)cc2c1C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000332179769 532849229 /nfs/dbraw/zinc/84/92/29/532849229.db2.gz RZFFFKXYRDFBIN-UHFFFAOYSA-N 1 2 380.286 2.446 20 0 GEADLO CN(C)c1ncc(Br)cc1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332281301 532851559 /nfs/dbraw/zinc/85/15/59/532851559.db2.gz CDMMOJPTSZJSFE-UHFFFAOYSA-N 1 2 378.274 2.373 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000289337173 532852591 /nfs/dbraw/zinc/85/25/91/532852591.db2.gz YXTBNSMKVHRIQL-JSGCOSHPSA-N 1 2 398.301 2.159 20 0 GEADLO CCOC(=O)C1(O)CC[NH+](C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000274766575 532856099 /nfs/dbraw/zinc/85/60/99/532856099.db2.gz GEHBUNAFFADYNE-CQSZACIVSA-N 1 2 390.249 2.012 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000332513270 532856665 /nfs/dbraw/zinc/85/66/65/532856665.db2.gz KZQOJNCYUXRORY-TZMCWYRMSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000332513270 532856666 /nfs/dbraw/zinc/85/66/66/532856666.db2.gz KZQOJNCYUXRORY-TZMCWYRMSA-N 1 2 386.901 2.374 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(OC)ccc2Br)CC1 ZINC000289508460 532857396 /nfs/dbraw/zinc/85/73/96/532857396.db2.gz UKJLPANMEJJXOS-UHFFFAOYSA-N 1 2 391.331 2.361 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000332513264 532857010 /nfs/dbraw/zinc/85/70/10/532857010.db2.gz KZQOJNCYUXRORY-JSGCOSHPSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332513264 532857012 /nfs/dbraw/zinc/85/70/12/532857012.db2.gz KZQOJNCYUXRORY-JSGCOSHPSA-N 1 2 386.901 2.374 20 0 GEADLO C[C@@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3ccc4ncsc4c3)CC2)S1 ZINC000274866110 532858283 /nfs/dbraw/zinc/85/82/83/532858283.db2.gz KUXKANFLQHDEOW-LLVKDONJSA-N 1 2 382.536 2.094 20 0 GEADLO COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000289552634 532858738 /nfs/dbraw/zinc/85/87/38/532858738.db2.gz RGAIFNDNVWXEIU-AWEZNQCLSA-N 1 2 378.441 2.152 20 0 GEADLO COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000289552634 532858742 /nfs/dbraw/zinc/85/87/42/532858742.db2.gz RGAIFNDNVWXEIU-AWEZNQCLSA-N 1 2 378.441 2.152 20 0 GEADLO O=C1[C@H]([N@@H+]2CCc3n[nH]c(=O)cc3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000274944818 532860083 /nfs/dbraw/zinc/86/00/83/532860083.db2.gz FXKFMOXOOAUIQL-OAHLLOKOSA-N 1 2 379.247 2.240 20 0 GEADLO O=C1[C@H]([N@H+]2CCc3n[nH]c(=O)cc3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000274944818 532860085 /nfs/dbraw/zinc/86/00/85/532860085.db2.gz FXKFMOXOOAUIQL-OAHLLOKOSA-N 1 2 379.247 2.240 20 0 GEADLO C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1ncc(Br)cn1 ZINC000332804836 532861773 /nfs/dbraw/zinc/86/17/73/532861773.db2.gz NWMFJLMASWBYGM-BXUZGUMPSA-N 1 2 383.290 2.060 20 0 GEADLO C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1ncc(Br)cn1 ZINC000332804836 532861776 /nfs/dbraw/zinc/86/17/76/532861776.db2.gz NWMFJLMASWBYGM-BXUZGUMPSA-N 1 2 383.290 2.060 20 0 GEADLO CCN(C(C)=O)c1nc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cs1 ZINC000275076566 532863353 /nfs/dbraw/zinc/86/33/53/532863353.db2.gz CCERKBNBEYUXSK-LLVKDONJSA-N 1 2 378.420 2.016 20 0 GEADLO CCN(C(C)=O)c1nc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cs1 ZINC000275076566 532863355 /nfs/dbraw/zinc/86/33/55/532863355.db2.gz CCERKBNBEYUXSK-LLVKDONJSA-N 1 2 378.420 2.016 20 0 GEADLO CC[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000275069677 532862928 /nfs/dbraw/zinc/86/29/28/532862928.db2.gz VFGFVOVTLJGEGV-LLVKDONJSA-N 1 2 376.297 2.416 20 0 GEADLO CC[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000275069677 532862930 /nfs/dbraw/zinc/86/29/30/532862930.db2.gz VFGFVOVTLJGEGV-LLVKDONJSA-N 1 2 376.297 2.416 20 0 GEADLO NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(Cc2cncc(Br)c2)CC1 ZINC000289709421 532863752 /nfs/dbraw/zinc/86/37/52/532863752.db2.gz GOIJXRYLAAOVJA-QGZVFWFLSA-N 1 2 389.297 2.188 20 0 GEADLO O=C(c1nc2c(s1)CCC2)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000416125973 532864399 /nfs/dbraw/zinc/86/43/99/532864399.db2.gz ASLLNUJOFOOUMH-UHFFFAOYSA-N 1 2 377.432 2.359 20 0 GEADLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(Br)cn1)CCC2 ZINC000333398392 532868136 /nfs/dbraw/zinc/86/81/36/532868136.db2.gz BCSJGLGXHATGJS-NSHDSACASA-N 1 2 385.287 2.205 20 0 GEADLO CC(=O)NC[C@H]1C[N@H+](CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000289971496 532869415 /nfs/dbraw/zinc/86/94/15/532869415.db2.gz JEBMNBJWROYEDR-INIZCTEOSA-N 1 2 383.286 2.249 20 0 GEADLO CC(=O)NC[C@H]1C[N@@H+](CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000289971496 532869418 /nfs/dbraw/zinc/86/94/18/532869418.db2.gz JEBMNBJWROYEDR-INIZCTEOSA-N 1 2 383.286 2.249 20 0 GEADLO COc1cc(F)c(Br)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000333538992 532870508 /nfs/dbraw/zinc/87/05/08/532870508.db2.gz JALHJGJQLJMQDF-OCCSQVGLSA-N 1 2 388.237 2.144 20 0 GEADLO COc1cc(F)c(Br)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000333538992 532870511 /nfs/dbraw/zinc/87/05/11/532870511.db2.gz JALHJGJQLJMQDF-OCCSQVGLSA-N 1 2 388.237 2.144 20 0 GEADLO O=S1(=O)CC[C@]2(C1)CCCN(Cc1c[nH+]c3ccc(Br)cn13)C2 ZINC000333570611 532871140 /nfs/dbraw/zinc/87/11/40/532871140.db2.gz PQHYEAPVMRIJMM-MRXNPFEDSA-N 1 2 398.326 2.498 20 0 GEADLO CC(C)(CNC(=O)c1cc(Cl)ncc1Br)[NH+]1CCOCC1 ZINC000290058228 532871284 /nfs/dbraw/zinc/87/12/84/532871284.db2.gz SGVMCEVFPOLGSA-UHFFFAOYSA-N 1 2 376.682 2.338 20 0 GEADLO CC(C)S(=O)(=O)CC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000290052684 532871355 /nfs/dbraw/zinc/87/13/55/532871355.db2.gz DSQRMTGWBNNAFX-UHFFFAOYSA-N 1 2 377.297 2.487 20 0 GEADLO C[C@H]1OCC[C@@]12CN(C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)CCO2 ZINC000333693819 532871915 /nfs/dbraw/zinc/87/19/15/532871915.db2.gz QSPBSLWNQGCZQY-BDJLRTHQSA-N 1 2 399.289 2.322 20 0 GEADLO CC(C)S(=O)(=O)CC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000290153033 532873954 /nfs/dbraw/zinc/87/39/54/532873954.db2.gz LFCZEBCCYTYOKV-UHFFFAOYSA-N 1 2 377.297 2.487 20 0 GEADLO Cc1csc([C@@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C(F)(F)F)n1 ZINC000417181737 532878932 /nfs/dbraw/zinc/87/89/32/532878932.db2.gz PXIWLEFXYFDSJN-LLVKDONJSA-N 1 2 380.436 2.465 20 0 GEADLO CCOc1ccc(NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)cc1Br ZINC000275705027 532881889 /nfs/dbraw/zinc/88/18/89/532881889.db2.gz YHYAHJBSYCSHMI-UHFFFAOYSA-N 1 2 395.257 2.178 20 0 GEADLO CC1(C)C[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H](CO)O1 ZINC000420941611 532887532 /nfs/dbraw/zinc/88/75/32/532887532.db2.gz PHADNJJTCUBEMD-LSDHHAIUSA-N 1 2 383.286 2.026 20 0 GEADLO CC1(C)C[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H](CO)O1 ZINC000420941611 532887534 /nfs/dbraw/zinc/88/75/34/532887534.db2.gz PHADNJJTCUBEMD-LSDHHAIUSA-N 1 2 383.286 2.026 20 0 GEADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420939845 532887657 /nfs/dbraw/zinc/88/76/57/532887657.db2.gz NRWAMZUUKIOHMA-OAHLLOKOSA-N 1 2 375.296 2.424 20 0 GEADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420939845 532887660 /nfs/dbraw/zinc/88/76/60/532887660.db2.gz NRWAMZUUKIOHMA-OAHLLOKOSA-N 1 2 375.296 2.424 20 0 GEADLO COc1ncc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cc1Br ZINC000351358792 532887738 /nfs/dbraw/zinc/88/77/38/532887738.db2.gz SBKZWWYQMMNVIR-LBPRGKRZSA-N 1 2 381.230 2.438 20 0 GEADLO COc1ncc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cc1Br ZINC000351358792 532887744 /nfs/dbraw/zinc/88/77/44/532887744.db2.gz SBKZWWYQMMNVIR-LBPRGKRZSA-N 1 2 381.230 2.438 20 0 GEADLO Cn1ncc2c1nc(N1CCO[C@@H](c3ccc(Br)cc3)C1)[nH+]c2N ZINC000276143963 532889605 /nfs/dbraw/zinc/88/96/05/532889605.db2.gz IKHQHGLGGYVHGA-CYBMUJFWSA-N 1 2 389.257 2.286 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000290818495 532889712 /nfs/dbraw/zinc/88/97/12/532889712.db2.gz ACOKGRASUCYAMM-UHFFFAOYSA-N 1 2 392.257 2.118 20 0 GEADLO C[C@H](C(=O)NCCc1c[nH]c2cccc(Br)c12)[NH+]1CCN(C)CC1 ZINC000290813371 532890117 /nfs/dbraw/zinc/89/01/17/532890117.db2.gz FKQUKFCQYADNBQ-CYBMUJFWSA-N 1 2 393.329 2.225 20 0 GEADLO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000290992051 532894009 /nfs/dbraw/zinc/89/40/09/532894009.db2.gz ZZZGJQZOXIMAOZ-MLGOLLRUSA-N 1 2 386.905 2.057 20 0 GEADLO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1nccn1S(=O)(=O)N(C)C ZINC000290992043 532894332 /nfs/dbraw/zinc/89/43/32/532894332.db2.gz ZZZGJQZOXIMAOZ-BLLLJJGKSA-N 1 2 386.905 2.057 20 0 GEADLO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CCn2c[nH+]cc2C1 ZINC000291012105 532894619 /nfs/dbraw/zinc/89/46/19/532894619.db2.gz COIAAUFQSWAPCN-OAHLLOKOSA-N 1 2 389.253 2.041 20 0 GEADLO Cc1cc(Br)cn2c(CN3C[C@@H](C)S(=O)(=O)[C@H](C)C3)c[nH+]c12 ZINC000291028201 532895182 /nfs/dbraw/zinc/89/51/82/532895182.db2.gz YGDNUQAMHVHNBL-VXGBXAGGSA-N 1 2 386.315 2.413 20 0 GEADLO CCc1nnc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC000291117119 532896144 /nfs/dbraw/zinc/89/61/44/532896144.db2.gz LYVNCDKFVLWWFF-LBPRGKRZSA-N 1 2 381.527 2.035 20 0 GEADLO COCC[C@@H]1COCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000291184809 532897852 /nfs/dbraw/zinc/89/78/52/532897852.db2.gz IFCUUBPBJOLVFL-CZUORRHYSA-N 1 2 385.302 2.364 20 0 GEADLO COCC[C@@H]1COCC[N@H+]1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000291184809 532897855 /nfs/dbraw/zinc/89/78/55/532897855.db2.gz IFCUUBPBJOLVFL-CZUORRHYSA-N 1 2 385.302 2.364 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000291183731 532897921 /nfs/dbraw/zinc/89/79/21/532897921.db2.gz CEMDVQNTZMJIMU-UHOFOFEASA-N 1 2 395.297 2.247 20 0 GEADLO CCN(C)C(=O)[C@H](C)NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000276681930 532899966 /nfs/dbraw/zinc/89/99/66/532899966.db2.gz VCMQYGHMLOLMSW-NSHDSACASA-N 1 2 396.289 2.071 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cc(F)ccc1Br)CC2 ZINC000363662147 532900174 /nfs/dbraw/zinc/90/01/74/532900174.db2.gz AEOJMBYBBFRZPV-UHFFFAOYSA-N 1 2 381.205 2.074 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1c(F)cc(Br)cc1F)CC2 ZINC000363665727 532900232 /nfs/dbraw/zinc/90/02/32/532900232.db2.gz PBAJHGQAAWOMPS-UHFFFAOYSA-N 1 2 399.195 2.213 20 0 GEADLO Cc1cc(Cl)cnc1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000291229013 532898784 /nfs/dbraw/zinc/89/87/84/532898784.db2.gz CWZVDIXKPVYSKT-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO Cc1cc(Cl)cnc1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000291229013 532898786 /nfs/dbraw/zinc/89/87/86/532898786.db2.gz CWZVDIXKPVYSKT-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000363879061 532901864 /nfs/dbraw/zinc/90/18/64/532901864.db2.gz MAWHLDITZNPGLU-BVTUPMQUSA-N 1 2 382.507 2.101 20 0 GEADLO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000363879061 532901865 /nfs/dbraw/zinc/90/18/65/532901865.db2.gz MAWHLDITZNPGLU-BVTUPMQUSA-N 1 2 382.507 2.101 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000291467642 532902463 /nfs/dbraw/zinc/90/24/63/532902463.db2.gz OMLAFCNQASLNJA-NSHDSACASA-N 1 2 392.880 2.038 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC000291467642 532902465 /nfs/dbraw/zinc/90/24/65/532902465.db2.gz OMLAFCNQASLNJA-NSHDSACASA-N 1 2 392.880 2.038 20 0 GEADLO Cc1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)[nH+]c2)sc1Cl ZINC000276862938 532902505 /nfs/dbraw/zinc/90/25/05/532902505.db2.gz IRZRHWGPGJPFNF-UHFFFAOYSA-N 1 2 387.914 2.420 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)c1cc2c(s1)CCS(=O)(=O)C2)c1ccccc1 ZINC000363852599 532901604 /nfs/dbraw/zinc/90/16/04/532901604.db2.gz IFPKOJPGCYPOJR-OAHLLOKOSA-N 1 2 378.519 2.252 20 0 GEADLO O=C(C[N@@H+]1CCOC2(CCOCC2)CC1)Nc1ccc(Br)cn1 ZINC000364246088 532905142 /nfs/dbraw/zinc/90/51/42/532905142.db2.gz ROUAVDGOAXZDEZ-UHFFFAOYSA-N 1 2 384.274 2.054 20 0 GEADLO O=C(C[N@H+]1CCOC2(CCOCC2)CC1)Nc1ccc(Br)cn1 ZINC000364246088 532905144 /nfs/dbraw/zinc/90/51/44/532905144.db2.gz ROUAVDGOAXZDEZ-UHFFFAOYSA-N 1 2 384.274 2.054 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000291808535 532908905 /nfs/dbraw/zinc/90/89/05/532908905.db2.gz HPRGGJOKYRYFRW-HNNXBMFYSA-N 1 2 379.258 2.466 20 0 GEADLO CN(CC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)S(=O)(=O)c1cccs1 ZINC000292012223 532912072 /nfs/dbraw/zinc/91/20/72/532912072.db2.gz BQJUCQDEQMSVLB-OAHLLOKOSA-N 1 2 383.543 2.398 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1OC ZINC000292078100 532912731 /nfs/dbraw/zinc/91/27/31/532912731.db2.gz CFOHKGPHCQJLNY-LLVKDONJSA-N 1 2 392.315 2.333 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1OC ZINC000292078100 532912733 /nfs/dbraw/zinc/91/27/33/532912733.db2.gz CFOHKGPHCQJLNY-LLVKDONJSA-N 1 2 392.315 2.333 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(Cl)c1Cl ZINC000365611770 532911475 /nfs/dbraw/zinc/91/14/75/532911475.db2.gz PJKOTCLBDSKRJB-LLVKDONJSA-N 1 2 395.308 2.144 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c(Cl)c1Cl ZINC000365611770 532911477 /nfs/dbraw/zinc/91/14/77/532911477.db2.gz PJKOTCLBDSKRJB-LLVKDONJSA-N 1 2 395.308 2.144 20 0 GEADLO COc1ccccc1-c1nc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cs1 ZINC000292371524 532915692 /nfs/dbraw/zinc/91/56/92/532915692.db2.gz YQKQNUJNMFVFRO-CQSZACIVSA-N 1 2 381.523 2.284 20 0 GEADLO COc1ccccc1-c1nc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cs1 ZINC000292371524 532915694 /nfs/dbraw/zinc/91/56/94/532915694.db2.gz YQKQNUJNMFVFRO-CQSZACIVSA-N 1 2 381.523 2.284 20 0 GEADLO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000365911797 532912962 /nfs/dbraw/zinc/91/29/62/532912962.db2.gz DZEUHFGJMDGVMP-UHFFFAOYSA-N 1 2 375.422 2.487 20 0 GEADLO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000365911797 532912964 /nfs/dbraw/zinc/91/29/64/532912964.db2.gz DZEUHFGJMDGVMP-UHFFFAOYSA-N 1 2 375.422 2.487 20 0 GEADLO C[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292105721 532913277 /nfs/dbraw/zinc/91/32/77/532913277.db2.gz GTNZZPFAHZTKGL-GFCCVEGCSA-N 1 2 377.297 2.107 20 0 GEADLO C[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292105721 532913278 /nfs/dbraw/zinc/91/32/78/532913278.db2.gz GTNZZPFAHZTKGL-GFCCVEGCSA-N 1 2 377.297 2.107 20 0 GEADLO O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000366082466 532914366 /nfs/dbraw/zinc/91/43/66/532914366.db2.gz BITTVNNMNXTDKC-NSHDSACASA-N 1 2 396.456 2.239 20 0 GEADLO COc1cc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)ccc1Br ZINC000366591731 532919073 /nfs/dbraw/zinc/91/90/73/532919073.db2.gz LNXGFMUPCHIORS-ZDUSSCGKSA-N 1 2 384.274 2.442 20 0 GEADLO COc1cc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)ccc1Br ZINC000366591731 532919074 /nfs/dbraw/zinc/91/90/74/532919074.db2.gz LNXGFMUPCHIORS-ZDUSSCGKSA-N 1 2 384.274 2.442 20 0 GEADLO O[C@@H](CNc1cccc(-n2cc[nH+]c2)n1)COc1ccccc1Br ZINC000366459953 532917495 /nfs/dbraw/zinc/91/74/95/532917495.db2.gz XTZZSDMBUZVPHD-ZDUSSCGKSA-N 1 2 389.253 2.882 20 0 GEADLO Cn1cc(Br)c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000292767333 532918192 /nfs/dbraw/zinc/91/81/92/532918192.db2.gz VYUXMWPNTBKDIV-UHFFFAOYSA-N 1 2 378.274 2.498 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000366580700 532919030 /nfs/dbraw/zinc/91/90/30/532919030.db2.gz LLCMIVKCTJBOOO-ZIAGYGMSSA-N 1 2 390.843 2.075 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000366580700 532919031 /nfs/dbraw/zinc/91/90/31/532919031.db2.gz LLCMIVKCTJBOOO-ZIAGYGMSSA-N 1 2 390.843 2.075 20 0 GEADLO O=C1NCCCC[C@@H]1[NH+]1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000366932095 532922225 /nfs/dbraw/zinc/92/22/25/532922225.db2.gz FYBQWVWWTUIIPO-DLBZAZTESA-N 1 2 386.323 2.313 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000366642235 532919567 /nfs/dbraw/zinc/91/95/67/532919567.db2.gz NFLGXJNXTGGHPE-DOMZBBRYSA-N 1 2 386.265 2.111 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000366642235 532919568 /nfs/dbraw/zinc/91/95/68/532919568.db2.gz NFLGXJNXTGGHPE-DOMZBBRYSA-N 1 2 386.265 2.111 20 0 GEADLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2C[C@H](O)COCC(F)(F)F)n1 ZINC000292956227 532920400 /nfs/dbraw/zinc/92/04/00/532920400.db2.gz ORNRTUFJLLKHJT-JQWIXIFHSA-N 1 2 382.404 2.397 20 0 GEADLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2C[C@H](O)COCC(F)(F)F)n1 ZINC000292956227 532920401 /nfs/dbraw/zinc/92/04/01/532920401.db2.gz ORNRTUFJLLKHJT-JQWIXIFHSA-N 1 2 382.404 2.397 20 0 GEADLO CC[C@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(S(N)(=O)=O)c1 ZINC000293002371 532921066 /nfs/dbraw/zinc/92/10/66/532921066.db2.gz SYGJSQXAKXRMAP-ZDUSSCGKSA-N 1 2 387.303 2.071 20 0 GEADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccnc(Br)c2)C1 ZINC000293032264 532921400 /nfs/dbraw/zinc/92/14/00/532921400.db2.gz JBHZSHAYIJWPKH-CQSZACIVSA-N 1 2 398.301 2.078 20 0 GEADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccnc(Br)c2)C1 ZINC000293032264 532921401 /nfs/dbraw/zinc/92/14/01/532921401.db2.gz JBHZSHAYIJWPKH-CQSZACIVSA-N 1 2 398.301 2.078 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1)Nc1ccc(Cl)cc1Cl ZINC000293020930 532921472 /nfs/dbraw/zinc/92/14/72/532921472.db2.gz QSQOGNGMDZXXLF-CYBMUJFWSA-N 1 2 384.267 2.353 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1)Nc1ccc(Cl)cc1Cl ZINC000293020930 532921473 /nfs/dbraw/zinc/92/14/73/532921473.db2.gz QSQOGNGMDZXXLF-CYBMUJFWSA-N 1 2 384.267 2.353 20 0 GEADLO O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)Nc1ccccc1Br ZINC000367038998 532922567 /nfs/dbraw/zinc/92/25/67/532922567.db2.gz SYIPXCOUAHRVHN-WFASDCNBSA-N 1 2 380.286 2.378 20 0 GEADLO O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)Nc1ccccc1Br ZINC000367038998 532922568 /nfs/dbraw/zinc/92/25/68/532922568.db2.gz SYIPXCOUAHRVHN-WFASDCNBSA-N 1 2 380.286 2.378 20 0 GEADLO NS(=O)(=O)c1sc(Cl)cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000367121389 532922692 /nfs/dbraw/zinc/92/26/92/532922692.db2.gz OILUPMFQQBSMPQ-UHFFFAOYSA-N 1 2 396.881 2.165 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000367214138 532923552 /nfs/dbraw/zinc/92/35/52/532923552.db2.gz RAJFWIWUPPUWPL-IUODEOHRSA-N 1 2 390.285 2.227 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000367214138 532923554 /nfs/dbraw/zinc/92/35/54/532923554.db2.gz RAJFWIWUPPUWPL-IUODEOHRSA-N 1 2 390.285 2.227 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccnc(Br)c1 ZINC000293459452 532927408 /nfs/dbraw/zinc/92/74/08/532927408.db2.gz LBSKPQOHCFRCTP-CYBMUJFWSA-N 1 2 376.320 2.138 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccnc(Br)c1 ZINC000293459452 532927409 /nfs/dbraw/zinc/92/74/09/532927409.db2.gz LBSKPQOHCFRCTP-CYBMUJFWSA-N 1 2 376.320 2.138 20 0 GEADLO Cn1cc[nH+]c1N1CCC(NS(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000367873113 532928391 /nfs/dbraw/zinc/92/83/91/532928391.db2.gz DEWZTUFTNDRZOA-UHFFFAOYSA-N 1 2 390.843 2.299 20 0 GEADLO NC(=O)C[C@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000367943845 532928757 /nfs/dbraw/zinc/92/87/57/532928757.db2.gz JFOAXVAUMPUUFO-CXAGYDPISA-N 1 2 394.313 2.310 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000293372854 532926058 /nfs/dbraw/zinc/92/60/58/532926058.db2.gz PEQPWYGHIYDVCU-INIZCTEOSA-N 1 2 396.329 2.452 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000368196390 532930773 /nfs/dbraw/zinc/93/07/73/532930773.db2.gz SFXGYDIQEQJTIV-OAHLLOKOSA-N 1 2 379.258 2.466 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c(Br)c1O ZINC000293749435 532931017 /nfs/dbraw/zinc/93/10/17/532931017.db2.gz WQYSXLRRULKSCE-CYBMUJFWSA-N 1 2 397.273 2.084 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c(Br)c1O ZINC000293749435 532931019 /nfs/dbraw/zinc/93/10/19/532931019.db2.gz WQYSXLRRULKSCE-CYBMUJFWSA-N 1 2 397.273 2.084 20 0 GEADLO O=C([C@H]1CCCO1)N1CCC[N@@H+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000368902292 532935360 /nfs/dbraw/zinc/93/53/60/532935360.db2.gz SIZAPULSQBUCDR-DLBZAZTESA-N 1 2 397.313 2.196 20 0 GEADLO O=C([C@H]1CCCO1)N1CCC[N@H+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000368902292 532935362 /nfs/dbraw/zinc/93/53/62/532935362.db2.gz SIZAPULSQBUCDR-DLBZAZTESA-N 1 2 397.313 2.196 20 0 GEADLO CS(=O)(=O)Nc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000368925943 532935572 /nfs/dbraw/zinc/93/55/72/532935572.db2.gz DUMUUAYWLONSQS-LBPRGKRZSA-N 1 2 382.873 2.454 20 0 GEADLO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ncc(Br)cc1F ZINC000368750962 532934100 /nfs/dbraw/zinc/93/41/00/532934100.db2.gz QDXRJUHVLXMVFG-HZMBPMFUSA-N 1 2 386.265 2.414 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C(=O)O1 ZINC000293981692 532934201 /nfs/dbraw/zinc/93/42/01/532934201.db2.gz RHIDXIGKLPXLQL-KCPJHIHWSA-N 1 2 381.270 2.406 20 0 GEADLO O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000294257346 532937308 /nfs/dbraw/zinc/93/73/08/532937308.db2.gz FIAMJEMKHNBDSC-LBPRGKRZSA-N 1 2 399.925 2.062 20 0 GEADLO Cc1cc(C[NH+]2CCC(N(C)S(=O)(=O)c3ccc(Cl)nc3)CC2)on1 ZINC000368960845 532935971 /nfs/dbraw/zinc/93/59/71/532935971.db2.gz BRFPWVHYRQTSMB-UHFFFAOYSA-N 1 2 384.889 2.317 20 0 GEADLO CCS(=O)(=O)CCNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000369339490 532938515 /nfs/dbraw/zinc/93/85/15/532938515.db2.gz XYOYUNLAJZIGGO-ZBFHGGJFSA-N 1 2 387.933 2.067 20 0 GEADLO CCS(=O)(=O)CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000369339490 532938516 /nfs/dbraw/zinc/93/85/16/532938516.db2.gz XYOYUNLAJZIGGO-ZBFHGGJFSA-N 1 2 387.933 2.067 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)C2CCS(=O)(=O)CC2)[C@H]1c1cccc(Cl)c1 ZINC000369363853 532938844 /nfs/dbraw/zinc/93/88/44/532938844.db2.gz ODHSUZKSMXOQHR-NVXWUHKLSA-N 1 2 384.929 2.274 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)C2CCS(=O)(=O)CC2)[C@H]1c1cccc(Cl)c1 ZINC000369363853 532938845 /nfs/dbraw/zinc/93/88/45/532938845.db2.gz ODHSUZKSMXOQHR-NVXWUHKLSA-N 1 2 384.929 2.274 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1cccc(Cl)c1 ZINC000369357031 532939081 /nfs/dbraw/zinc/93/90/81/532939081.db2.gz DHDBFBUJHPOLCC-JOQOYGCGSA-N 1 2 384.929 2.274 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1cccc(Cl)c1 ZINC000369357031 532939083 /nfs/dbraw/zinc/93/90/83/532939083.db2.gz DHDBFBUJHPOLCC-JOQOYGCGSA-N 1 2 384.929 2.274 20 0 GEADLO COC(=O)[C@H]1C[C@@H](OC)CN1Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000369465716 532939636 /nfs/dbraw/zinc/93/96/36/532939636.db2.gz VHIHZJPHHGEHED-ZIAGYGMSSA-N 1 2 382.258 2.168 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1SCCc2sccc21 ZINC000369725712 532940663 /nfs/dbraw/zinc/94/06/63/532940663.db2.gz NRWYFMGZBIHULV-MRXNPFEDSA-N 1 2 378.523 2.246 20 0 GEADLO O=C(c1ccc(Br)c(F)c1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000369807006 532941019 /nfs/dbraw/zinc/94/10/19/532941019.db2.gz BNLFVXQHFTUYQZ-HNNXBMFYSA-N 1 2 398.276 2.015 20 0 GEADLO COC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2cc(Br)cs2)CC1 ZINC000370017070 532941921 /nfs/dbraw/zinc/94/19/21/532941921.db2.gz JNDLIYARYIZLNP-ONEGZZNKSA-N 1 2 387.299 2.231 20 0 GEADLO COC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cc(Br)cs2)CC1 ZINC000370017070 532941922 /nfs/dbraw/zinc/94/19/22/532941922.db2.gz JNDLIYARYIZLNP-ONEGZZNKSA-N 1 2 387.299 2.231 20 0 GEADLO CCc1cnc(CN(C)C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000370046658 532941978 /nfs/dbraw/zinc/94/19/78/532941978.db2.gz SUIAAFOHEVIFJB-QGZVFWFLSA-N 1 2 384.571 2.055 20 0 GEADLO COCCC[NH+]1CCC(NC(=O)N=c2nc(-c3ccsc3)[nH]s2)CC1 ZINC000370123462 532942318 /nfs/dbraw/zinc/94/23/18/532942318.db2.gz VHPCIQXFWHGSGR-UHFFFAOYSA-N 1 2 381.527 2.311 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000370856166 532945631 /nfs/dbraw/zinc/94/56/31/532945631.db2.gz LAMNTRYNJMJADW-SWLSCSKDSA-N 1 2 380.432 2.141 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000370856166 532945632 /nfs/dbraw/zinc/94/56/32/532945632.db2.gz LAMNTRYNJMJADW-SWLSCSKDSA-N 1 2 380.432 2.141 20 0 GEADLO CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000370864708 532945906 /nfs/dbraw/zinc/94/59/06/532945906.db2.gz GFPHZGDNHMCGFX-CJNGLKHVSA-N 1 2 385.555 2.138 20 0 GEADLO CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000370864708 532945907 /nfs/dbraw/zinc/94/59/07/532945907.db2.gz GFPHZGDNHMCGFX-CJNGLKHVSA-N 1 2 385.555 2.138 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C1 ZINC000371319123 532947595 /nfs/dbraw/zinc/94/75/95/532947595.db2.gz NVMJPVPDUMFBPX-NSHDSACASA-N 1 2 377.857 2.195 20 0 GEADLO COc1cc(Br)ccc1C[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000371597885 532948884 /nfs/dbraw/zinc/94/88/84/532948884.db2.gz RBWQBWJIFNXFOV-AWEZNQCLSA-N 1 2 389.315 2.114 20 0 GEADLO COc1cc(Br)ccc1C[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000371597885 532948885 /nfs/dbraw/zinc/94/88/85/532948885.db2.gz RBWQBWJIFNXFOV-AWEZNQCLSA-N 1 2 389.315 2.114 20 0 GEADLO CSc1ccc(Cl)c(C(=O)N2CCC(N3CC[N@H+](C)CC3=O)CC2)c1 ZINC000371669798 532949209 /nfs/dbraw/zinc/94/92/09/532949209.db2.gz HYOAGXMLMSDBGH-UHFFFAOYSA-N 1 2 381.929 2.441 20 0 GEADLO CSc1ccc(Cl)c(C(=O)N2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1 ZINC000371669798 532949210 /nfs/dbraw/zinc/94/92/10/532949210.db2.gz HYOAGXMLMSDBGH-UHFFFAOYSA-N 1 2 381.929 2.441 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cncc(I)c2)C1 ZINC000371074121 532946869 /nfs/dbraw/zinc/94/68/69/532946869.db2.gz HGCCXIOMPNWRSM-JTQLQIEISA-N 1 2 382.205 2.049 20 0 GEADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(I)c1 ZINC000371308805 532947448 /nfs/dbraw/zinc/94/74/48/532947448.db2.gz SDNRXICSFMRYOT-VIFPVBQESA-N 1 2 385.180 2.441 20 0 GEADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c(I)c1 ZINC000371308805 532947449 /nfs/dbraw/zinc/94/74/49/532947449.db2.gz SDNRXICSFMRYOT-VIFPVBQESA-N 1 2 385.180 2.441 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N2CCn3cc(C)[nH+]c3C2)c1 ZINC000371699883 532949399 /nfs/dbraw/zinc/94/93/99/532949399.db2.gz KSRNCTRYJFSXAD-UHFFFAOYSA-N 1 2 386.271 2.167 20 0 GEADLO O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371734801 532949493 /nfs/dbraw/zinc/94/94/93/532949493.db2.gz PMDJNCMLBRQWBW-LBPRGKRZSA-N 1 2 391.225 2.480 20 0 GEADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCc2sccc2C1 ZINC000010764800 221107029 /nfs/dbraw/zinc/10/70/29/221107029.db2.gz UYEZAMPBDNYDIE-CYBMUJFWSA-N 1 2 393.534 2.384 20 0 GEADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCc2sccc2C1 ZINC000010764800 221107033 /nfs/dbraw/zinc/10/70/33/221107033.db2.gz UYEZAMPBDNYDIE-CYBMUJFWSA-N 1 2 393.534 2.384 20 0 GEADLO COCCNC(=O)c1c2c(sc1NC(=O)C[NH+]1CCCCC1)CCCC2 ZINC000015376005 221334957 /nfs/dbraw/zinc/33/49/57/221334957.db2.gz QZMXWWOWMIDWTC-UHFFFAOYSA-N 1 2 379.526 2.428 20 0 GEADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCO[C@@H](Cn3cccn3)C2)nc[nH+]1 ZINC000275793723 570699901 /nfs/dbraw/zinc/69/99/01/570699901.db2.gz UIGKFKRORDJXHI-HLIPFELVSA-N 1 2 386.500 2.194 20 0 GEADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCO[C@@H](Cn3cccn3)C2)[nH+]cn1 ZINC000275793723 570699905 /nfs/dbraw/zinc/69/99/05/570699905.db2.gz UIGKFKRORDJXHI-HLIPFELVSA-N 1 2 386.500 2.194 20 0 GEADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCO[C@H](Cn3cccn3)C2)nc[nH+]1 ZINC000275793736 570699914 /nfs/dbraw/zinc/69/99/14/570699914.db2.gz UIGKFKRORDJXHI-ZWOKBUDYSA-N 1 2 386.500 2.194 20 0 GEADLO CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCO[C@H](Cn3cccn3)C2)[nH+]cn1 ZINC000275793736 570699919 /nfs/dbraw/zinc/69/99/19/570699919.db2.gz UIGKFKRORDJXHI-ZWOKBUDYSA-N 1 2 386.500 2.194 20 0 GEADLO O=C(NCCn1cc[nH+]c1)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000738094857 598906633 /nfs/dbraw/zinc/90/66/33/598906633.db2.gz NHBFBLHEWFDZSV-UHFFFAOYSA-N 1 2 394.464 2.291 20 0 GEADLO c1cc(C[NH+]2CCN(c3c4ccccc4nnc3-c3nn[nH]n3)CC2)cs1 ZINC000738438060 598956525 /nfs/dbraw/zinc/95/65/25/598956525.db2.gz VUQBNFSTVXWMII-UHFFFAOYSA-N 1 2 378.465 2.194 20 0 GEADLO Cc1cc[nH+]c(NC[C@@H]2CCN(c3c4ccccc4nnc3-c3nn[nH]n3)C2)c1 ZINC000737437723 598963368 /nfs/dbraw/zinc/96/33/68/598963368.db2.gz PXPZYYBPSPOIPE-AWEZNQCLSA-N 1 2 387.451 2.452 20 0 GEADLO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738037969 599022875 /nfs/dbraw/zinc/02/28/75/599022875.db2.gz IGFYFEIHJWGSDY-KRWDZBQOSA-N 1 2 397.870 2.482 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN(C(=O)c2ccco2)CC1 ZINC000737407691 599121492 /nfs/dbraw/zinc/12/14/92/599121492.db2.gz DTDWTYUPZZOUHT-UHFFFAOYSA-N 1 2 389.419 2.279 20 0 GEADLO Cc1nc(C[N@@H+]2CCCN(c3snc(Cl)c3-c3nn[nH]n3)CC2)cs1 ZINC000737476130 599169933 /nfs/dbraw/zinc/16/99/33/599169933.db2.gz DAGSLXCMIBNMEZ-UHFFFAOYSA-N 1 2 396.933 2.454 20 0 GEADLO Cc1nc(C[N@H+]2CCCN(c3snc(Cl)c3-c3nn[nH]n3)CC2)cs1 ZINC000737476130 599169936 /nfs/dbraw/zinc/16/99/36/599169936.db2.gz DAGSLXCMIBNMEZ-UHFFFAOYSA-N 1 2 396.933 2.454 20 0 GEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000736781043 599224212 /nfs/dbraw/zinc/22/42/12/599224212.db2.gz VSAZDNVWXPOYIC-UHFFFAOYSA-N 1 2 391.479 2.332 20 0 GEADLO Cc1c(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cccc1-c1nn[nH]n1 ZINC000822083598 607282110 /nfs/dbraw/zinc/28/21/10/607282110.db2.gz DHLMVHIGFMCWTA-OAHLLOKOSA-N 1 2 392.467 2.481 20 0 GEADLO CC(C)CNC(=O)C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000735835877 599263406 /nfs/dbraw/zinc/26/34/06/599263406.db2.gz QICKJDWHQMPEIY-UHFFFAOYSA-N 1 2 379.468 2.404 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC(c2nncn2C)CC1 ZINC000737408220 599270595 /nfs/dbraw/zinc/27/05/95/599270595.db2.gz HJQUXYZAFKZXMM-UHFFFAOYSA-N 1 2 375.440 2.236 20 0 GEADLO O=C(C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)Nc1ccc(O)cc1 ZINC000737875763 598249445 /nfs/dbraw/zinc/24/94/45/598249445.db2.gz MPUMVCCLCVBQRJ-UHFFFAOYSA-N 1 2 394.435 2.054 20 0 GEADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736275304 598251297 /nfs/dbraw/zinc/25/12/97/598251297.db2.gz WYIHZHXIJLBFMP-AEFFLSMTSA-N 1 2 397.527 2.026 20 0 GEADLO O[C@H](C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1cc(F)ccc1F ZINC000738379497 598251900 /nfs/dbraw/zinc/25/19/00/598251900.db2.gz AHVNZFWVMKROAN-GOSISDBHSA-N 1 2 386.406 2.001 20 0 GEADLO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1C ZINC000737356858 598255148 /nfs/dbraw/zinc/25/51/48/598255148.db2.gz IRJNCTUQTWVOBF-UHFFFAOYSA-N 1 2 391.479 2.244 20 0 GEADLO CC(C)COC[C@H]([NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1ccco1 ZINC000735838743 598274556 /nfs/dbraw/zinc/27/45/56/598274556.db2.gz UOUZZLJGEAKEIF-HNNXBMFYSA-N 1 2 382.428 2.006 20 0 GEADLO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)c1nncn1C ZINC000736135937 598284232 /nfs/dbraw/zinc/28/42/32/598284232.db2.gz QTVLZFGUILUXHM-CQSZACIVSA-N 1 2 390.451 2.425 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000736096395 598329552 /nfs/dbraw/zinc/32/95/52/598329552.db2.gz LDHUBAZYPFAGTL-ZDUSSCGKSA-N 1 2 393.407 2.054 20 0 GEADLO Fc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000737653331 598365036 /nfs/dbraw/zinc/36/50/36/598365036.db2.gz ZRABVVCITDUHFT-UHFFFAOYSA-N 1 2 379.399 2.469 20 0 GEADLO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)C2)c1 ZINC000737443277 598368182 /nfs/dbraw/zinc/36/81/82/598368182.db2.gz IHALWVGJWUFBRT-DZGCQCFKSA-N 1 2 398.471 2.246 20 0 GEADLO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)C2)c1 ZINC000737443277 598368184 /nfs/dbraw/zinc/36/81/84/598368184.db2.gz IHALWVGJWUFBRT-DZGCQCFKSA-N 1 2 398.471 2.246 20 0 GEADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCCOc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000736948749 598405547 /nfs/dbraw/zinc/40/55/47/598405547.db2.gz PERMZYRSDQKWSK-UHFFFAOYSA-N 1 2 379.420 2.438 20 0 GEADLO COC(=O)c1ccc2c(c1)C[N@H+](CCCOc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000736948749 598405548 /nfs/dbraw/zinc/40/55/48/598405548.db2.gz PERMZYRSDQKWSK-UHFFFAOYSA-N 1 2 379.420 2.438 20 0 GEADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(-c4nn[nH]n4)c3)c2C1 ZINC000736481940 598451821 /nfs/dbraw/zinc/45/18/21/598451821.db2.gz SQEQZEFCBPXQGP-UHFFFAOYSA-N 1 2 384.465 2.393 20 0 GEADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(-c4nn[nH]n4)c3)c2C1 ZINC000736481940 598451823 /nfs/dbraw/zinc/45/18/23/598451823.db2.gz SQEQZEFCBPXQGP-UHFFFAOYSA-N 1 2 384.465 2.393 20 0 GEADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736291128 598459883 /nfs/dbraw/zinc/45/98/83/598459883.db2.gz DEWAIWVKGMNYJJ-BPAFIMBUSA-N 1 2 395.463 2.068 20 0 GEADLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736291128 598459884 /nfs/dbraw/zinc/45/98/84/598459884.db2.gz DEWAIWVKGMNYJJ-BPAFIMBUSA-N 1 2 395.463 2.068 20 0 GEADLO COc1c(C)cnc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1C ZINC000737025104 598475276 /nfs/dbraw/zinc/47/52/76/598475276.db2.gz LONVAMAHGJEVNI-UHFFFAOYSA-N 1 2 379.468 2.209 20 0 GEADLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000736821938 598600905 /nfs/dbraw/zinc/60/09/05/598600905.db2.gz ILWHHVZNODEANA-QGZVFWFLSA-N 1 2 380.427 2.411 20 0 GEADLO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000736821938 598600906 /nfs/dbraw/zinc/60/09/06/598600906.db2.gz ILWHHVZNODEANA-QGZVFWFLSA-N 1 2 380.427 2.411 20 0 GEADLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000736821936 598600917 /nfs/dbraw/zinc/60/09/17/598600917.db2.gz ILWHHVZNODEANA-KRWDZBQOSA-N 1 2 380.427 2.411 20 0 GEADLO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000736821936 598600919 /nfs/dbraw/zinc/60/09/19/598600919.db2.gz ILWHHVZNODEANA-KRWDZBQOSA-N 1 2 380.427 2.411 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736590054 598617540 /nfs/dbraw/zinc/61/75/40/598617540.db2.gz DHRVTBAERZLGSU-LJQANCHMSA-N 1 2 395.463 2.352 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736590054 598617541 /nfs/dbraw/zinc/61/75/41/598617541.db2.gz DHRVTBAERZLGSU-LJQANCHMSA-N 1 2 395.463 2.352 20 0 GEADLO C[N@@H+]1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)[C@H](c2ccccc2)C1 ZINC000736857911 598650133 /nfs/dbraw/zinc/65/01/33/598650133.db2.gz UWWWBHWPFKFPQK-SFHVURJKSA-N 1 2 394.504 2.474 20 0 GEADLO C[N@H+]1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)[C@H](c2ccccc2)C1 ZINC000736857911 598650135 /nfs/dbraw/zinc/65/01/35/598650135.db2.gz UWWWBHWPFKFPQK-SFHVURJKSA-N 1 2 394.504 2.474 20 0 GEADLO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000737833474 598687387 /nfs/dbraw/zinc/68/73/87/598687387.db2.gz STKGITXBYSANDJ-UHFFFAOYSA-N 1 2 395.467 2.476 20 0 GEADLO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+]1CCS[C@@H](C)C1 ZINC000736293797 598768523 /nfs/dbraw/zinc/76/85/23/598768523.db2.gz VFOGPSUKTDDSCY-VHSXEESVSA-N 1 2 378.527 2.181 20 0 GEADLO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1CCS[C@@H](C)C1 ZINC000736293797 598768524 /nfs/dbraw/zinc/76/85/24/598768524.db2.gz VFOGPSUKTDDSCY-VHSXEESVSA-N 1 2 378.527 2.181 20 0 GEADLO C[C@H]1CCC[C@@H](OCC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736260030 598792769 /nfs/dbraw/zinc/79/27/69/598792769.db2.gz GYPHTFYTXZGPHI-QFBILLFUSA-N 1 2 398.511 2.106 20 0 GEADLO O=C(OCc1ccccc1-c1nn[nH]n1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000738232993 598816258 /nfs/dbraw/zinc/81/62/58/598816258.db2.gz CFAHUNWZIRHPDI-IBGZPJMESA-N 1 2 393.447 2.108 20 0 GEADLO CC[C@H](O)CN1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000736381023 599356331 /nfs/dbraw/zinc/35/63/31/599356331.db2.gz GTYHJVXHZWHNJE-IBGZPJMESA-N 1 2 392.507 2.422 20 0 GEADLO Brc1ccc(N2CCN(c3cccc[nH+]3)CC2)c(-c2nn[nH]n2)c1 ZINC000735368933 599361032 /nfs/dbraw/zinc/36/10/32/599361032.db2.gz PTLODFAWFMVNAS-UHFFFAOYSA-N 1 2 386.257 2.351 20 0 GEADLO Cc1cc(NC(=O)C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)ccc1Br ZINC000822207544 599437783 /nfs/dbraw/zinc/43/77/83/599437783.db2.gz ZIXWDDCLIXZYLV-UHFFFAOYSA-N 1 2 391.229 2.259 20 0 GEADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736905108 599444999 /nfs/dbraw/zinc/44/49/99/599444999.db2.gz AJRFIGREXXXZLO-GOSISDBHSA-N 1 2 394.435 2.041 20 0 GEADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736905108 599445001 /nfs/dbraw/zinc/44/50/01/599445001.db2.gz AJRFIGREXXXZLO-GOSISDBHSA-N 1 2 394.435 2.041 20 0 GEADLO CCC(CC)[C@H](C(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCOCC1 ZINC000820892923 599509446 /nfs/dbraw/zinc/50/94/46/599509446.db2.gz HBDWBXNBFZJRJS-KBXCAEBGSA-N 1 2 386.500 2.181 20 0 GEADLO Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2NCc1cn2c([nH+]1)CCCC2 ZINC000822773974 599519680 /nfs/dbraw/zinc/51/96/80/599519680.db2.gz CWMMNFLVKIOBFU-UHFFFAOYSA-N 1 2 382.378 2.260 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC(N2CCCC2=O)CC1 ZINC000822333139 599528977 /nfs/dbraw/zinc/52/89/77/599528977.db2.gz YDLNNHFWDNXMDT-UHFFFAOYSA-N 1 2 377.452 2.315 20 0 GEADLO Cc1[nH+]c2n(c1C)CCN(C(=O)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(C)C)C2 ZINC000737490312 599572056 /nfs/dbraw/zinc/57/20/56/599572056.db2.gz SORXHOJRFYPDDY-SFHVURJKSA-N 1 2 395.467 2.126 20 0 GEADLO C[C@@H](O)CN1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000736149626 599618745 /nfs/dbraw/zinc/61/87/45/599618745.db2.gz VEYSWEBURJJQFV-MRXNPFEDSA-N 1 2 378.480 2.032 20 0 GEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000821266329 599661931 /nfs/dbraw/zinc/66/19/31/599661931.db2.gz BJXBFRGGDZJLQH-MRXNPFEDSA-N 1 2 395.467 2.278 20 0 GEADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000821266329 599661932 /nfs/dbraw/zinc/66/19/32/599661932.db2.gz BJXBFRGGDZJLQH-MRXNPFEDSA-N 1 2 395.467 2.278 20 0 GEADLO O=C(NCCC1CC1)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000823183247 599679600 /nfs/dbraw/zinc/67/96/00/599679600.db2.gz UHKKWGUKGBZYIG-UHFFFAOYSA-N 1 2 392.467 2.047 20 0 GEADLO CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccc(C(=O)[O-])o3)CC2)CC1 ZINC000737115657 599929123 /nfs/dbraw/zinc/92/91/23/599929123.db2.gz OTTQFTWNLWVYSH-OAHLLOKOSA-N 1 2 377.485 2.305 20 0 GEADLO CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000737283834 599975777 /nfs/dbraw/zinc/97/57/77/599975777.db2.gz AOFOZEUQCJRHAS-MAUKXSAKSA-N 1 2 384.480 2.486 20 0 GEADLO CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000737283834 599975778 /nfs/dbraw/zinc/97/57/78/599975778.db2.gz AOFOZEUQCJRHAS-MAUKXSAKSA-N 1 2 384.480 2.486 20 0 GEADLO Cc1oc(NC(=O)C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c(-c2nn[nH]n2)c1C ZINC000826341530 607470498 /nfs/dbraw/zinc/47/04/98/607470498.db2.gz JSGJVRZZLWRKDG-UHFFFAOYSA-N 1 2 397.439 2.022 20 0 GEADLO COc1ccc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)cc1-c1nn[nH]n1 ZINC000821821806 607492843 /nfs/dbraw/zinc/49/28/43/607492843.db2.gz XXWSFMFKKMQEFV-ZIAGYGMSSA-N 1 2 395.467 2.496 20 0 GEADLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000825395088 607510193 /nfs/dbraw/zinc/51/01/93/607510193.db2.gz KHQSIEILSIRZNW-UHFFFAOYSA-N 1 2 396.451 2.345 20 0 GEADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000825395088 607510195 /nfs/dbraw/zinc/51/01/95/607510195.db2.gz KHQSIEILSIRZNW-UHFFFAOYSA-N 1 2 396.451 2.345 20 0 GEADLO COc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826195137 607515092 /nfs/dbraw/zinc/51/50/92/607515092.db2.gz JDUJTYYNLFOJTF-HKUYNNGSSA-N 1 2 395.463 2.200 20 0 GEADLO COc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826195137 607515093 /nfs/dbraw/zinc/51/50/93/607515093.db2.gz JDUJTYYNLFOJTF-HKUYNNGSSA-N 1 2 395.463 2.200 20 0 GEADLO COc1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1-c1nn[nH]n1 ZINC000826201801 607532809 /nfs/dbraw/zinc/53/28/09/607532809.db2.gz DXQKWVVESLMGET-GOSISDBHSA-N 1 2 396.426 2.124 20 0 GEADLO C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739708962 602222816 /nfs/dbraw/zinc/22/28/16/602222816.db2.gz BLXWUENUXSQLDI-PMACEKPBSA-N 1 2 375.513 2.334 20 0 GEADLO C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739708962 602222818 /nfs/dbraw/zinc/22/28/18/602222818.db2.gz BLXWUENUXSQLDI-PMACEKPBSA-N 1 2 375.513 2.334 20 0 GEADLO C[NH+]1CCC(CNC(=O)[C@@H](NC(=O)[O-])c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000739732889 603041229 /nfs/dbraw/zinc/04/12/29/603041229.db2.gz QEARVWBOZRWQSE-SFHVURJKSA-N 1 2 388.512 2.062 20 0 GEADLO COc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1NC(=O)[O-] ZINC000739922110 603196621 /nfs/dbraw/zinc/19/66/21/603196621.db2.gz LHPLOUQOCXPLKA-UHFFFAOYSA-N 1 2 393.488 2.275 20 0 GEADLO COc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1NC(=O)[O-] ZINC000739922110 603196623 /nfs/dbraw/zinc/19/66/23/603196623.db2.gz LHPLOUQOCXPLKA-UHFFFAOYSA-N 1 2 393.488 2.275 20 0 GEADLO CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000830327522 604756093 /nfs/dbraw/zinc/75/60/93/604756093.db2.gz FABMZKPJTZSAKG-MOPGFXCFSA-N 1 2 396.491 2.121 20 0 GEADLO CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000830327522 604756098 /nfs/dbraw/zinc/75/60/98/604756098.db2.gz FABMZKPJTZSAKG-MOPGFXCFSA-N 1 2 396.491 2.121 20 0 GEADLO O=C(NCCn1cc[nH+]c1)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000444888752 649954109 /nfs/dbraw/zinc/95/41/09/649954109.db2.gz QTTLNORBFDKMHR-UHFFFAOYSA-N 1 2 389.257 2.331 20 0 GEADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000833403080 605272352 /nfs/dbraw/zinc/27/23/52/605272352.db2.gz DYKVYWRWNJHYCG-MRXNPFEDSA-N 1 2 376.501 2.087 20 0 GEADLO Cc1cc(NCCNC(=O)c2c(Br)cnn2C)nc(C(C)C)[nH+]1 ZINC000529845374 649960865 /nfs/dbraw/zinc/96/08/65/649960865.db2.gz HHKIMOIVFJBQJA-UHFFFAOYSA-N 1 2 381.278 2.246 20 0 GEADLO COc1cc(C[N@H+](C)Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)ccc1O ZINC000821717225 606066646 /nfs/dbraw/zinc/06/66/46/606066646.db2.gz LWVIARWFMSXDSW-UHFFFAOYSA-N 1 2 393.407 2.263 20 0 GEADLO COc1cc(C[N@@H+](C)Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)ccc1O ZINC000821717225 606066650 /nfs/dbraw/zinc/06/66/50/606066650.db2.gz LWVIARWFMSXDSW-UHFFFAOYSA-N 1 2 393.407 2.263 20 0 GEADLO Cc1cccn2cc(CCNC(=O)N[C@H](C)c3cccc(-c4nn[nH]n4)c3)[nH+]c12 ZINC000822366818 606117857 /nfs/dbraw/zinc/11/78/57/606117857.db2.gz ULBLOEFPMRRJIS-CQSZACIVSA-N 1 2 390.451 2.426 20 0 GEADLO Fc1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000822782844 606215722 /nfs/dbraw/zinc/21/57/22/606215722.db2.gz JHOPFQIFPLXIRB-UHFFFAOYSA-N 1 2 398.442 2.329 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000822010048 606291932 /nfs/dbraw/zinc/29/19/32/606291932.db2.gz LGUKYLBCHJJRHO-UHFFFAOYSA-N 1 2 389.419 2.407 20 0 GEADLO CCC[N@H+](CC(=O)NCC(=O)c1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821087567 606314952 /nfs/dbraw/zinc/31/49/52/606314952.db2.gz CXSZVWIDJIOQEM-UHFFFAOYSA-N 1 2 392.463 2.078 20 0 GEADLO CCC[N@@H+](CC(=O)NCC(=O)c1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821087567 606314953 /nfs/dbraw/zinc/31/49/53/606314953.db2.gz CXSZVWIDJIOQEM-UHFFFAOYSA-N 1 2 392.463 2.078 20 0 GEADLO NC(=O)C1CC[NH+](c2ccc(Nc3ccc(Cl)c(-c4nn[nH]n4)n3)cc2)CC1 ZINC000822864976 606463463 /nfs/dbraw/zinc/46/34/63/606463463.db2.gz QZIOLSDGCOHYKT-UHFFFAOYSA-N 1 2 398.858 2.360 20 0 GEADLO Cc1[nH+]c2n(c1C)CCN(Cc1ccc(-c3nn[nH]n3)cc1OC(F)F)C2 ZINC000822463417 606487919 /nfs/dbraw/zinc/48/79/19/606487919.db2.gz QQTSBAJRSMEMQX-UHFFFAOYSA-N 1 2 375.383 2.297 20 0 GEADLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000820011446 606491985 /nfs/dbraw/zinc/49/19/85/606491985.db2.gz NEKKEUONRJQCGO-UHFFFAOYSA-N 1 2 394.426 2.158 20 0 GEADLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000820011446 606491986 /nfs/dbraw/zinc/49/19/86/606491986.db2.gz NEKKEUONRJQCGO-UHFFFAOYSA-N 1 2 394.426 2.158 20 0 GEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000822237107 606516191 /nfs/dbraw/zinc/51/61/91/606516191.db2.gz FQJBKGZFQXLSPP-UHFFFAOYSA-N 1 2 384.465 2.321 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(-c4nn[nH]n4)s3)c2)CCO1 ZINC000820759350 606534514 /nfs/dbraw/zinc/53/45/14/606534514.db2.gz JPJRQBANTYLFSC-CYBMUJFWSA-N 1 2 398.492 2.079 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(-c4nn[nH]n4)s3)c2)CCO1 ZINC000820759350 606534516 /nfs/dbraw/zinc/53/45/16/606534516.db2.gz JPJRQBANTYLFSC-CYBMUJFWSA-N 1 2 398.492 2.079 20 0 GEADLO C[C@@H](N1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1)C(F)(F)F ZINC000820307092 606615639 /nfs/dbraw/zinc/61/56/39/606615639.db2.gz IJWJRGOGGAJRQS-CYBMUJFWSA-N 1 2 384.406 2.204 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000819864942 606622840 /nfs/dbraw/zinc/62/28/40/606622840.db2.gz AFWPAWKZLPLVEA-OIJAAMDRSA-N 1 2 398.492 2.063 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000819864942 606622841 /nfs/dbraw/zinc/62/28/41/606622841.db2.gz AFWPAWKZLPLVEA-OIJAAMDRSA-N 1 2 398.492 2.063 20 0 GEADLO O=C1[C@@H]2CCCCC[C@@H]2N1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823521325 606632447 /nfs/dbraw/zinc/63/24/47/606632447.db2.gz VETBCJRAPFGJET-MOPGFXCFSA-N 1 2 396.495 2.459 20 0 GEADLO CC1(C)CN=C(N2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)S1 ZINC000820606759 606646269 /nfs/dbraw/zinc/64/62/69/606646269.db2.gz CHCIPCNZHHXUJZ-UHFFFAOYSA-N 1 2 375.477 2.005 20 0 GEADLO O=C(Cc1cccc(F)c1F)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823112050 606662435 /nfs/dbraw/zinc/66/24/35/606662435.db2.gz REFWXHPGCYGMDB-UHFFFAOYSA-N 1 2 398.417 2.032 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(Cl)s1 ZINC000820804299 606785500 /nfs/dbraw/zinc/78/55/00/606785500.db2.gz PUTDNMYUOBCCDS-SNVBAGLBSA-N 1 2 376.877 2.082 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(Cl)s1 ZINC000820804299 606785501 /nfs/dbraw/zinc/78/55/01/606785501.db2.gz PUTDNMYUOBCCDS-SNVBAGLBSA-N 1 2 376.877 2.082 20 0 GEADLO O=C(CC1CCCCC1)N1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822940786 606859973 /nfs/dbraw/zinc/85/99/73/606859973.db2.gz DTLLANPXOJPIHI-IBGZPJMESA-N 1 2 398.511 2.015 20 0 GEADLO C[C@@H](N1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1)C(F)(F)F ZINC000820306920 606909038 /nfs/dbraw/zinc/90/90/38/606909038.db2.gz HHDKLQUDRHLKJX-CYBMUJFWSA-N 1 2 384.406 2.204 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821593684 606919357 /nfs/dbraw/zinc/91/93/57/606919357.db2.gz FJDDPKPZLVIZAY-INIZCTEOSA-N 1 2 386.843 2.124 20 0 GEADLO C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821593684 606919358 /nfs/dbraw/zinc/91/93/58/606919358.db2.gz FJDDPKPZLVIZAY-INIZCTEOSA-N 1 2 386.843 2.124 20 0 GEADLO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000819997087 607037923 /nfs/dbraw/zinc/03/79/23/607037923.db2.gz PZWJNQDUILOIGG-UHFFFAOYSA-N 1 2 381.440 2.038 20 0 GEADLO C[C@H]1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000820717287 607092980 /nfs/dbraw/zinc/09/29/80/607092980.db2.gz OYDSUAOROZFLNC-BBRMVZONSA-N 1 2 383.481 2.265 20 0 GEADLO CC(C)(C)NC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000819922008 607097655 /nfs/dbraw/zinc/09/76/55/607097655.db2.gz DNZNROXMOLCGAN-UHFFFAOYSA-N 1 2 380.456 2.045 20 0 GEADLO C[N@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821593953 607101552 /nfs/dbraw/zinc/10/15/52/607101552.db2.gz RKOJVLAOCNEFJX-UHFFFAOYSA-N 1 2 386.485 2.086 20 0 GEADLO C[N@@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821593953 607101555 /nfs/dbraw/zinc/10/15/55/607101555.db2.gz RKOJVLAOCNEFJX-UHFFFAOYSA-N 1 2 386.485 2.086 20 0 GEADLO c1ccc2[nH]c(C3C[NH+](Cc4nnc(-c5cccc(-c6nn[nH]n6)c5)o4)C3)nc2c1 ZINC000823737772 607103830 /nfs/dbraw/zinc/10/38/30/607103830.db2.gz KDKITFKLQXIFAX-UHFFFAOYSA-N 1 2 399.418 2.392 20 0 GEADLO OCCC[N@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)Cc1ccccc1 ZINC000823722079 607147517 /nfs/dbraw/zinc/14/75/17/607147517.db2.gz KRBVJBXIRUPMBU-UHFFFAOYSA-N 1 2 391.435 2.301 20 0 GEADLO OCCC[N@@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)Cc1ccccc1 ZINC000823722079 607147519 /nfs/dbraw/zinc/14/75/19/607147519.db2.gz KRBVJBXIRUPMBU-UHFFFAOYSA-N 1 2 391.435 2.301 20 0 GEADLO COc1ccc([C@@H](CNc2nc(C)ccc2-c2nn[nH]n2)[NH+]2CCOCC2)cc1 ZINC000821777696 607226357 /nfs/dbraw/zinc/22/63/57/607226357.db2.gz LKOJTAZATUZWAE-GOSISDBHSA-N 1 2 395.467 2.064 20 0 GEADLO CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000825366559 607797041 /nfs/dbraw/zinc/79/70/41/607797041.db2.gz BXITUNGEIRLQTO-IBGZPJMESA-N 1 2 392.463 2.121 20 0 GEADLO CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000825366559 607797042 /nfs/dbraw/zinc/79/70/42/607797042.db2.gz BXITUNGEIRLQTO-IBGZPJMESA-N 1 2 392.463 2.121 20 0 GEADLO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000824148033 607812579 /nfs/dbraw/zinc/81/25/79/607812579.db2.gz KRSGEUZDAMUCOY-AWEZNQCLSA-N 1 2 395.471 2.219 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCS[C@H]2CCCC[C@@H]21)c1cccc(-c2nn[nH]n2)c1 ZINC000826484535 607829397 /nfs/dbraw/zinc/82/93/97/607829397.db2.gz HCEQXYKQNKVOLU-HOTGVXAUSA-N 1 2 393.538 2.000 20 0 GEADLO O=S(=O)(CC[N@H+]1CCS[C@H]2CCCC[C@@H]21)c1cccc(-c2nn[nH]n2)c1 ZINC000826484535 607829398 /nfs/dbraw/zinc/82/93/98/607829398.db2.gz HCEQXYKQNKVOLU-HOTGVXAUSA-N 1 2 393.538 2.000 20 0 GEADLO Cc1cnc(CC[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)s1 ZINC000826318719 607858285 /nfs/dbraw/zinc/85/82/85/607858285.db2.gz WKGXLTDQOYNBHP-UHFFFAOYSA-N 1 2 391.888 2.398 20 0 GEADLO Cc1cnc(CC[N@H+](C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)s1 ZINC000826318719 607858286 /nfs/dbraw/zinc/85/82/86/607858286.db2.gz WKGXLTDQOYNBHP-UHFFFAOYSA-N 1 2 391.888 2.398 20 0 GEADLO CC(C)(C)C1=CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824071772 607981708 /nfs/dbraw/zinc/98/17/08/607981708.db2.gz MUDFSADPTWZSQT-MRXNPFEDSA-N 1 2 380.452 2.177 20 0 GEADLO CC(C)(C)C1=CC[N@H+]([C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824071772 607981709 /nfs/dbraw/zinc/98/17/09/607981709.db2.gz MUDFSADPTWZSQT-MRXNPFEDSA-N 1 2 380.452 2.177 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@@H]2CN(c3cc(NCC4CC4)[nH+]cn3)CCO2)c1 ZINC000826513657 608052966 /nfs/dbraw/zinc/05/29/66/608052966.db2.gz RNXUAHOJEZETAN-INIZCTEOSA-N 1 2 378.440 2.057 20 0 GEADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825776907 608068802 /nfs/dbraw/zinc/06/88/02/608068802.db2.gz NBVUAGVJDBTBHJ-GOSISDBHSA-N 1 2 397.435 2.382 20 0 GEADLO CCc1oc(C(=O)OC)cc1C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000825776907 608068803 /nfs/dbraw/zinc/06/88/03/608068803.db2.gz NBVUAGVJDBTBHJ-GOSISDBHSA-N 1 2 397.435 2.382 20 0 GEADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000826321699 608087993 /nfs/dbraw/zinc/08/79/93/608087993.db2.gz MVOITXHZBSMJQB-CYBMUJFWSA-N 1 2 384.444 2.192 20 0 GEADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000826321699 608087994 /nfs/dbraw/zinc/08/79/94/608087994.db2.gz MVOITXHZBSMJQB-CYBMUJFWSA-N 1 2 384.444 2.192 20 0 GEADLO C[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CCN1CC(F)(F)F ZINC000824992824 608100469 /nfs/dbraw/zinc/10/04/69/608100469.db2.gz NTFQNLNUPFQGII-NSHDSACASA-N 1 2 377.374 2.488 20 0 GEADLO C[N@H+](Cc1ccccc1N1CCCC1)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825981484 608121247 /nfs/dbraw/zinc/12/12/47/608121247.db2.gz SRPSJGGIDZPAJS-LJQANCHMSA-N 1 2 391.479 2.125 20 0 GEADLO C[N@@H+](Cc1ccccc1N1CCCC1)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825981484 608121248 /nfs/dbraw/zinc/12/12/48/608121248.db2.gz SRPSJGGIDZPAJS-LJQANCHMSA-N 1 2 391.479 2.125 20 0 GEADLO O=C(C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826410709 608128814 /nfs/dbraw/zinc/12/88/14/608128814.db2.gz WFXUDQNPDYGZGB-KRWDZBQOSA-N 1 2 382.399 2.098 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826410709 608128815 /nfs/dbraw/zinc/12/88/15/608128815.db2.gz WFXUDQNPDYGZGB-KRWDZBQOSA-N 1 2 382.399 2.098 20 0 GEADLO CCc1cnc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000825733586 608133643 /nfs/dbraw/zinc/13/36/43/608133643.db2.gz DYOCTNPELWZBHK-HNNXBMFYSA-N 1 2 383.481 2.171 20 0 GEADLO CCn1cc(C[N@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)cn1 ZINC000825799991 608311464 /nfs/dbraw/zinc/31/14/64/608311464.db2.gz XYUFSNNTCWUDHB-UHFFFAOYSA-N 1 2 377.456 2.209 20 0 GEADLO CCn1cc(C[N@@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)cn1 ZINC000825799991 608311465 /nfs/dbraw/zinc/31/14/65/608311465.db2.gz XYUFSNNTCWUDHB-UHFFFAOYSA-N 1 2 377.456 2.209 20 0 GEADLO CCc1cnc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3OC)CC2)s1 ZINC000825733605 608365874 /nfs/dbraw/zinc/36/58/74/608365874.db2.gz FSKGNANCBMRUIP-UHFFFAOYSA-N 1 2 385.497 2.216 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000826170152 608369826 /nfs/dbraw/zinc/36/98/26/608369826.db2.gz PWOOEVUQCFWISN-UHFFFAOYSA-N 1 2 386.406 2.476 20 0 GEADLO Fc1c(CN(CC[NH+]2CCOCC2)c2ccccc2)cccc1-c1nn[nH]n1 ZINC000826370447 608401418 /nfs/dbraw/zinc/40/14/18/608401418.db2.gz SYTFEEIEIVTWSW-UHFFFAOYSA-N 1 2 382.443 2.345 20 0 GEADLO COc1ccc(CN2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1F ZINC000826195358 608505554 /nfs/dbraw/zinc/50/55/54/608505554.db2.gz QIODKQOUDHRLHB-UHFFFAOYSA-N 1 2 388.472 2.394 20 0 GEADLO c1nc([C@@H]2CCCO2)sc1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826521967 608516039 /nfs/dbraw/zinc/51/60/39/608516039.db2.gz GAMSTXKXDLCHOC-KRWDZBQOSA-N 1 2 397.508 2.497 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)nc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000826280187 608544148 /nfs/dbraw/zinc/54/41/48/608544148.db2.gz QLEHWMFFASLZQU-HNNXBMFYSA-N 1 2 385.497 2.141 20 0 GEADLO Oc1cccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)c1 ZINC000826511499 608548949 /nfs/dbraw/zinc/54/89/49/608548949.db2.gz SJZUAFZYFPMVQR-UHFFFAOYSA-N 1 2 393.407 2.143 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c2cc(F)ccc21 ZINC000826497109 608580473 /nfs/dbraw/zinc/58/04/73/608580473.db2.gz UYOABOOCZUIVNT-OAHLLOKOSA-N 1 2 391.403 2.153 20 0 GEADLO Cc1cccn2c(CN3CCN(c4ccc(-c5nn[nH]n5)cc4F)CC3)c[nH+]c12 ZINC000826308215 608639644 /nfs/dbraw/zinc/63/96/44/608639644.db2.gz ONZVNKXSCLRTFH-UHFFFAOYSA-N 1 2 392.442 2.284 20 0 GEADLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000824103449 608647387 /nfs/dbraw/zinc/64/73/87/608647387.db2.gz APDWIARPRFVZPE-UHFFFAOYSA-N 1 2 376.436 2.449 20 0 GEADLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000824103449 608647390 /nfs/dbraw/zinc/64/73/90/608647390.db2.gz APDWIARPRFVZPE-UHFFFAOYSA-N 1 2 376.436 2.449 20 0 GEADLO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1F)[C@H]1CCN(c2ccccc2F)C1=O ZINC000825976543 608647984 /nfs/dbraw/zinc/64/79/84/608647984.db2.gz KYKDUWBKHUYRGY-INIZCTEOSA-N 1 2 384.390 2.382 20 0 GEADLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1F)[C@H]1CCN(c2ccccc2F)C1=O ZINC000825976543 608647986 /nfs/dbraw/zinc/64/79/86/608647986.db2.gz KYKDUWBKHUYRGY-INIZCTEOSA-N 1 2 384.390 2.382 20 0 GEADLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826475105 608649459 /nfs/dbraw/zinc/64/94/59/608649459.db2.gz SLNIAUZXZPMFIQ-UHFFFAOYSA-N 1 2 386.456 2.415 20 0 GEADLO O=C(c1ccsc1)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826475105 608649460 /nfs/dbraw/zinc/64/94/60/608649460.db2.gz SLNIAUZXZPMFIQ-UHFFFAOYSA-N 1 2 386.456 2.415 20 0 GEADLO Clc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)cn1 ZINC000826351782 608714242 /nfs/dbraw/zinc/71/42/42/608714242.db2.gz AHPPHKVQANGXJJ-UHFFFAOYSA-N 1 2 375.889 2.294 20 0 GEADLO COC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCO1 ZINC000826153326 608714367 /nfs/dbraw/zinc/71/43/67/608714367.db2.gz JRCBCYLKKSGYJD-IBGZPJMESA-N 1 2 395.463 2.293 20 0 GEADLO COC[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCO1 ZINC000826153326 608714368 /nfs/dbraw/zinc/71/43/68/608714368.db2.gz JRCBCYLKKSGYJD-IBGZPJMESA-N 1 2 395.463 2.293 20 0 GEADLO CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000823966815 608738447 /nfs/dbraw/zinc/73/84/47/608738447.db2.gz AXVCXDSANNDJAB-AWEZNQCLSA-N 1 2 399.455 2.194 20 0 GEADLO CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000823966815 608738449 /nfs/dbraw/zinc/73/84/49/608738449.db2.gz AXVCXDSANNDJAB-AWEZNQCLSA-N 1 2 399.455 2.194 20 0 GEADLO C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)[C@@H](CO)c1cccc(Br)c1 ZINC000825962358 608741304 /nfs/dbraw/zinc/74/13/04/608741304.db2.gz XWOVXEYLFQXFIE-ZDUSSCGKSA-N 1 2 378.230 2.388 20 0 GEADLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)[C@@H](CO)c1cccc(Br)c1 ZINC000825962358 608741306 /nfs/dbraw/zinc/74/13/06/608741306.db2.gz XWOVXEYLFQXFIE-ZDUSSCGKSA-N 1 2 378.230 2.388 20 0 GEADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)o1 ZINC000824900304 608837723 /nfs/dbraw/zinc/83/77/23/608837723.db2.gz UPNDFENNUXRWAG-VNHYZAJKSA-N 1 2 380.456 2.084 20 0 GEADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)o1 ZINC000824900304 608837725 /nfs/dbraw/zinc/83/77/25/608837725.db2.gz UPNDFENNUXRWAG-VNHYZAJKSA-N 1 2 380.456 2.084 20 0 GEADLO Cc1ccc2[nH+]cc(CN3CCO[C@H](c4cccc(-c5nn[nH]n5)c4)C3)n2c1 ZINC000826295689 608854928 /nfs/dbraw/zinc/85/49/28/608854928.db2.gz UCHMYOXNCAPSFK-SFHVURJKSA-N 1 2 375.436 2.396 20 0 GEADLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000826218751 609424556 /nfs/dbraw/zinc/42/45/56/609424556.db2.gz KGBZPMHXNGBXNF-CQSZACIVSA-N 1 2 391.378 2.300 20 0 GEADLO COC(=O)Cn1cc(C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)nn1 ZINC000449496808 650042093 /nfs/dbraw/zinc/04/20/93/650042093.db2.gz HLKMTRIDQXCXLH-CYBMUJFWSA-N 1 2 379.258 2.203 20 0 GEADLO COC(=O)Cn1cc(C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)nn1 ZINC000449496808 650042097 /nfs/dbraw/zinc/04/20/97/650042097.db2.gz HLKMTRIDQXCXLH-CYBMUJFWSA-N 1 2 379.258 2.203 20 0 GEADLO Cc1cccn2c(CNCc3nn(C)cc3I)c[nH+]c12 ZINC000449601842 650043508 /nfs/dbraw/zinc/04/35/08/650043508.db2.gz AXUBECMAXLQEBI-UHFFFAOYSA-N 1 2 381.221 2.271 20 0 GEADLO CC[C@@H](CNS(C)(=O)=O)Nc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000450669598 650068971 /nfs/dbraw/zinc/06/89/71/650068971.db2.gz CELVYKHPJKGUKK-VIFPVBQESA-N 1 2 390.278 2.298 20 0 GEADLO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc1 ZINC000450681393 650069272 /nfs/dbraw/zinc/06/92/72/650069272.db2.gz MKEICTNYUFFLBZ-SFHVURJKSA-N 1 2 381.519 2.356 20 0 GEADLO Cc1ccc(Br)cc1S(=O)(=O)Nc1ccnn1CC[NH+](C)C ZINC000451045258 650081560 /nfs/dbraw/zinc/08/15/60/650081560.db2.gz MKKVHNZDQLXXSA-UHFFFAOYSA-N 1 2 387.303 2.316 20 0 GEADLO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1CC[N@@H+]1CCOC[C@@H]1C ZINC000451274151 650099887 /nfs/dbraw/zinc/09/98/87/650099887.db2.gz FZIYSZHDXVHMGB-GUYCJALGSA-N 1 2 397.313 2.070 20 0 GEADLO COC(=O)[C@@H]1Cc2c(Br)cccc2CN1CC[N@H+]1CCOC[C@@H]1C ZINC000451274151 650099889 /nfs/dbraw/zinc/09/98/89/650099889.db2.gz FZIYSZHDXVHMGB-GUYCJALGSA-N 1 2 397.313 2.070 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)C[C@H]2CCCCC2(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000451332701 650104230 /nfs/dbraw/zinc/10/42/30/650104230.db2.gz WODOWFVGXWMTGN-BZUAXINKSA-N 1 2 380.501 2.184 20 0 GEADLO CCOC[C@H](C)CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000451361791 650107355 /nfs/dbraw/zinc/10/73/55/650107355.db2.gz OZZHEDJAILQWEH-AFAVFJNCSA-N 1 2 376.469 2.302 20 0 GEADLO CCOC[C@H](C)CS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000451361791 650107357 /nfs/dbraw/zinc/10/73/57/650107357.db2.gz OZZHEDJAILQWEH-AFAVFJNCSA-N 1 2 376.469 2.302 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@@H]21 ZINC000451527150 650123432 /nfs/dbraw/zinc/12/34/32/650123432.db2.gz JOMPFCONJCQYOU-YVSFHVDLSA-N 1 2 379.298 2.484 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@@H]21 ZINC000451527150 650123433 /nfs/dbraw/zinc/12/34/33/650123433.db2.gz JOMPFCONJCQYOU-YVSFHVDLSA-N 1 2 379.298 2.484 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451575423 650127040 /nfs/dbraw/zinc/12/70/40/650127040.db2.gz XVLCQEZGTLMNMD-CQSZACIVSA-N 1 2 383.286 2.260 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451575423 650127042 /nfs/dbraw/zinc/12/70/42/650127042.db2.gz XVLCQEZGTLMNMD-CQSZACIVSA-N 1 2 383.286 2.260 20 0 GEADLO COC(=O)[C@H]1C[N@H+](Cc2scnc2C)[C@@H](C)CN1Cc1scnc1C ZINC000451726558 650136054 /nfs/dbraw/zinc/13/60/54/650136054.db2.gz PAACHYARYGAGAB-SMDDNHRTSA-N 1 2 380.539 2.464 20 0 GEADLO COC(=O)[C@H]1C[N@@H+](Cc2scnc2C)[C@@H](C)CN1Cc1scnc1C ZINC000451726558 650136057 /nfs/dbraw/zinc/13/60/57/650136057.db2.gz PAACHYARYGAGAB-SMDDNHRTSA-N 1 2 380.539 2.464 20 0 GEADLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000451936906 650155302 /nfs/dbraw/zinc/15/53/02/650155302.db2.gz LLGFPLROXGGURO-HZPDHXFCSA-N 1 2 382.507 2.107 20 0 GEADLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000451976540 650160039 /nfs/dbraw/zinc/16/00/39/650160039.db2.gz YNLJEBNWOFTARJ-LBPRGKRZSA-N 1 2 381.420 2.128 20 0 GEADLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 ZINC000451976271 650160050 /nfs/dbraw/zinc/16/00/50/650160050.db2.gz YAHUZEBLLDMGFV-GFCCVEGCSA-N 1 2 376.906 2.462 20 0 GEADLO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453379543 650208910 /nfs/dbraw/zinc/20/89/10/650208910.db2.gz YUCGBJOKYMNCDN-BZHVJNSISA-N 1 2 383.297 2.095 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000453734497 650221244 /nfs/dbraw/zinc/22/12/44/650221244.db2.gz XVNVOUXCBZFYMN-NSHDSACASA-N 1 2 392.257 2.220 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000454267857 650260943 /nfs/dbraw/zinc/26/09/43/650260943.db2.gz OTCYJGLYTLOHTF-HSWBROFVSA-N 1 2 382.302 2.482 20 0 GEADLO O=C(c1ccc(I)cn1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000455911148 650325626 /nfs/dbraw/zinc/32/56/26/650325626.db2.gz DRSNYYJIBSPIPJ-CYBMUJFWSA-N 1 2 395.200 2.375 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)C(=O)CCc2c[nH+]cn2C)c1 ZINC000456104192 650330787 /nfs/dbraw/zinc/33/07/87/650330787.db2.gz KNXHPYJLXYZGHC-INIZCTEOSA-N 1 2 396.285 2.316 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456210603 650334280 /nfs/dbraw/zinc/33/42/80/650334280.db2.gz YRPHQCQLNZHSRW-IYBDPMFKSA-N 1 2 397.313 2.370 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456210603 650334281 /nfs/dbraw/zinc/33/42/81/650334281.db2.gz YRPHQCQLNZHSRW-IYBDPMFKSA-N 1 2 397.313 2.370 20 0 GEADLO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[NH+](CCO)CC1 ZINC000540086259 650349457 /nfs/dbraw/zinc/34/94/57/650349457.db2.gz FNGOJOKZNCZSLE-UHFFFAOYSA-N 1 2 384.267 2.321 20 0 GEADLO Cc1cc(C)c(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)c[nH+]1 ZINC000456841717 650364271 /nfs/dbraw/zinc/36/42/71/650364271.db2.gz FVTWQCAGWDYZOA-UHFFFAOYSA-N 1 2 379.507 2.474 20 0 GEADLO CC(C)(CNC(=O)NCCc1cccc(Br)c1)[NH+]1CCOCC1 ZINC000457440156 650379116 /nfs/dbraw/zinc/37/91/16/650379116.db2.gz OIZUSACBLQLJHK-UHFFFAOYSA-N 1 2 384.318 2.402 20 0 GEADLO Cc1ccc(C[C@H](CO)CNC(=O)NCCn2cc[nH+]c2)cc1Br ZINC000457477728 650379504 /nfs/dbraw/zinc/37/95/04/650379504.db2.gz YAVACBAJCLCJRU-HNNXBMFYSA-N 1 2 395.301 2.104 20 0 GEADLO C[C@@H](CNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1)[NH+]1CCOCC1 ZINC000457694339 650382999 /nfs/dbraw/zinc/38/29/99/650382999.db2.gz RHIJNOBUKHWBHH-XJKSGUPXSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@H](Oc1ccc(I)cc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457867208 650387501 /nfs/dbraw/zinc/38/75/01/650387501.db2.gz WMTQDQOXDYYRHZ-NSHDSACASA-N 1 2 399.232 2.151 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000458300396 650399808 /nfs/dbraw/zinc/39/98/08/650399808.db2.gz JCPBQAVQFCRTOG-CJNGLKHVSA-N 1 2 397.317 2.411 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000458300396 650399812 /nfs/dbraw/zinc/39/98/12/650399812.db2.gz JCPBQAVQFCRTOG-CJNGLKHVSA-N 1 2 397.317 2.411 20 0 GEADLO Cc1cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1Br ZINC000459189724 650420757 /nfs/dbraw/zinc/42/07/57/650420757.db2.gz WMQJIRFSWKGPBL-HOTGVXAUSA-N 1 2 382.302 2.372 20 0 GEADLO Cc1cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1Br ZINC000459189724 650420758 /nfs/dbraw/zinc/42/07/58/650420758.db2.gz WMQJIRFSWKGPBL-HOTGVXAUSA-N 1 2 382.302 2.372 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459277709 650421941 /nfs/dbraw/zinc/42/19/41/650421941.db2.gz JEIHPIJDIQFPGQ-UHFFFAOYSA-N 1 2 377.457 2.423 20 0 GEADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2nn(C)cc2I)[C@@H]1SC ZINC000459562429 650428843 /nfs/dbraw/zinc/42/88/43/650428843.db2.gz CMYMCFLWRWZFLF-JLLWLGSASA-N 1 2 381.283 2.023 20 0 GEADLO O=C(Nc1ccc(F)cc1)c1nnc(C[NH2+]C2(CO)CCSCC2)s1 ZINC000459700244 650429851 /nfs/dbraw/zinc/42/98/51/650429851.db2.gz OZUVSYSTGATKCY-UHFFFAOYSA-N 1 2 382.486 2.277 20 0 GEADLO COc1cc(C[N@@H+]2CCC[C@@](O)(CO)C2)cc(Br)c1OC(F)F ZINC000459733963 650431539 /nfs/dbraw/zinc/43/15/39/650431539.db2.gz VEBXVTJCJFTHDP-HNNXBMFYSA-N 1 2 396.228 2.378 20 0 GEADLO COc1cc(C[N@H+]2CCC[C@@](O)(CO)C2)cc(Br)c1OC(F)F ZINC000459733963 650431540 /nfs/dbraw/zinc/43/15/40/650431540.db2.gz VEBXVTJCJFTHDP-HNNXBMFYSA-N 1 2 396.228 2.378 20 0 GEADLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1I)c1ccn(C)n1 ZINC000459801176 650432784 /nfs/dbraw/zinc/43/27/84/650432784.db2.gz XJEJCJAUHAISSH-SNVBAGLBSA-N 1 2 384.221 2.314 20 0 GEADLO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000459858620 650434055 /nfs/dbraw/zinc/43/40/55/650434055.db2.gz RITWZMHCINEEPD-GFCCVEGCSA-N 1 2 380.901 2.500 20 0 GEADLO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000507188308 650455364 /nfs/dbraw/zinc/45/53/64/650455364.db2.gz PNJJNBANQCLRPR-UHFFFAOYSA-N 1 2 384.929 2.448 20 0 GEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000507934492 650469973 /nfs/dbraw/zinc/46/99/73/650469973.db2.gz KROHXLFCCFEYPB-IUCAKERBSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000507934492 650469975 /nfs/dbraw/zinc/46/99/75/650469975.db2.gz KROHXLFCCFEYPB-IUCAKERBSA-N 1 2 383.258 2.440 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000507987352 650472232 /nfs/dbraw/zinc/47/22/32/650472232.db2.gz XVXKVSCOGMXWQM-NEPJUHHUSA-N 1 2 382.507 2.401 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000507987352 650472234 /nfs/dbraw/zinc/47/22/34/650472234.db2.gz XVXKVSCOGMXWQM-NEPJUHHUSA-N 1 2 382.507 2.401 20 0 GEADLO O=C(Cn1cc[nH+]c1)NCc1ccc(I)cc1Cl ZINC000462343745 650476587 /nfs/dbraw/zinc/47/65/87/650476587.db2.gz YUGZRWROZHBETR-UHFFFAOYSA-N 1 2 375.597 2.458 20 0 GEADLO COCCC[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000509327333 650493205 /nfs/dbraw/zinc/49/32/05/650493205.db2.gz KMLVXJDSVAQWFB-CYBMUJFWSA-N 1 2 377.409 2.034 20 0 GEADLO COCCC[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000509327333 650493206 /nfs/dbraw/zinc/49/32/06/650493206.db2.gz KMLVXJDSVAQWFB-CYBMUJFWSA-N 1 2 377.409 2.034 20 0 GEADLO CC(C)(CNC(=O)N[C@H](CO)c1c(Cl)cccc1Cl)[NH+]1CCOCC1 ZINC000473973716 650525842 /nfs/dbraw/zinc/52/58/42/650525842.db2.gz GYEYMPOZFJKBTE-CQSZACIVSA-N 1 2 390.311 2.437 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)CCS(C)(=O)=O)c1ccsc1 ZINC000474242888 650528687 /nfs/dbraw/zinc/52/86/87/650528687.db2.gz UALAMWNHPMGTJC-DZGCQCFKSA-N 1 2 375.560 2.253 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)Cc2cc(OC)ccc2Br)[C@H](C)C1 ZINC000511243084 650530406 /nfs/dbraw/zinc/53/04/06/650530406.db2.gz VMCPCUZGUDCTGI-GFCCVEGCSA-N 1 2 391.331 2.314 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)Cc2cc(OC)ccc2Br)[C@H](C)C1 ZINC000511243084 650530411 /nfs/dbraw/zinc/53/04/11/650530411.db2.gz VMCPCUZGUDCTGI-GFCCVEGCSA-N 1 2 391.331 2.314 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)[C@@H](C)C1 ZINC000511294135 650532317 /nfs/dbraw/zinc/53/23/17/650532317.db2.gz DLTNEMDWVBIULN-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)[C@@H](C)C1 ZINC000511294135 650532320 /nfs/dbraw/zinc/53/23/20/650532320.db2.gz DLTNEMDWVBIULN-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)[C@H](C)C1 ZINC000511295534 650532353 /nfs/dbraw/zinc/53/23/53/650532353.db2.gz KZDGTNDGMOWSTA-LLVKDONJSA-N 1 2 389.315 2.099 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)[C@H](C)C1 ZINC000511295534 650532356 /nfs/dbraw/zinc/53/23/56/650532356.db2.gz KZDGTNDGMOWSTA-LLVKDONJSA-N 1 2 389.315 2.099 20 0 GEADLO CCn1nccc1C[N@H+](CCO)Cc1cc(Br)c2c(c1)OCCO2 ZINC000475515252 650534301 /nfs/dbraw/zinc/53/43/01/650534301.db2.gz AZPMEVSOQILWRW-UHFFFAOYSA-N 1 2 396.285 2.431 20 0 GEADLO CCn1nccc1C[N@@H+](CCO)Cc1cc(Br)c2c(c1)OCCO2 ZINC000475515252 650534304 /nfs/dbraw/zinc/53/43/04/650534304.db2.gz AZPMEVSOQILWRW-UHFFFAOYSA-N 1 2 396.285 2.431 20 0 GEADLO CCc1sc(-c2nnc(C[N@@H+]3CCC[C@@H](CS(N)(=O)=O)C3)o2)cc1C ZINC000511596733 650538998 /nfs/dbraw/zinc/53/89/98/650538998.db2.gz HUCZWKPYQMRZGW-GFCCVEGCSA-N 1 2 384.527 2.169 20 0 GEADLO CCc1sc(-c2nnc(C[N@H+]3CCC[C@@H](CS(N)(=O)=O)C3)o2)cc1C ZINC000511596733 650539001 /nfs/dbraw/zinc/53/90/01/650539001.db2.gz HUCZWKPYQMRZGW-GFCCVEGCSA-N 1 2 384.527 2.169 20 0 GEADLO C[C@](CO)([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(Br)cc1 ZINC000511591652 650539144 /nfs/dbraw/zinc/53/91/44/650539144.db2.gz GPXPZCRYEORNIW-QGZVFWFLSA-N 1 2 388.269 2.422 20 0 GEADLO O=C1NCCc2ccc(C[NH2+]Cc3ncc(I)s3)cc21 ZINC000511977496 650543584 /nfs/dbraw/zinc/54/35/84/650543584.db2.gz HJLYQZWEYJXILU-UHFFFAOYSA-N 1 2 399.257 2.323 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000476525120 650552498 /nfs/dbraw/zinc/55/24/98/650552498.db2.gz KZCAKEQZHNRWAV-KBPBESRZSA-N 1 2 390.933 2.468 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000476525120 650552501 /nfs/dbraw/zinc/55/25/01/650552501.db2.gz KZCAKEQZHNRWAV-KBPBESRZSA-N 1 2 390.933 2.468 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1 ZINC000476574186 650554338 /nfs/dbraw/zinc/55/43/38/650554338.db2.gz WGWSMNHUUHUCFV-OAHLLOKOSA-N 1 2 388.555 2.023 20 0 GEADLO CC(C)[C@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000512650670 650552170 /nfs/dbraw/zinc/55/21/70/650552170.db2.gz FGNUVQJWJURXJN-CJNGLKHVSA-N 1 2 385.302 2.299 20 0 GEADLO CC(C)[C@H](Oc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000512650670 650552174 /nfs/dbraw/zinc/55/21/74/650552174.db2.gz FGNUVQJWJURXJN-CJNGLKHVSA-N 1 2 385.302 2.299 20 0 GEADLO O=C(Cn1cc(Br)cn1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513989882 650572642 /nfs/dbraw/zinc/57/26/42/650572642.db2.gz POOLWLHVNOISCY-CQSZACIVSA-N 1 2 383.677 2.472 20 0 GEADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(=O)NC ZINC000514753775 650578366 /nfs/dbraw/zinc/57/83/66/650578366.db2.gz IJFSDDLBTHXJCQ-SNVBAGLBSA-N 1 2 389.283 2.488 20 0 GEADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(=O)NC ZINC000514753775 650578367 /nfs/dbraw/zinc/57/83/67/650578367.db2.gz IJFSDDLBTHXJCQ-SNVBAGLBSA-N 1 2 389.283 2.488 20 0 GEADLO O=S(=O)(c1cc(Br)cc2cccnc21)N1CCn2c[nH+]cc2C1 ZINC000515256618 650590515 /nfs/dbraw/zinc/59/05/15/650590515.db2.gz IXAZHEUBJSTWON-UHFFFAOYSA-N 1 2 393.266 2.398 20 0 GEADLO Cc1ccc(Br)c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000478859047 650591987 /nfs/dbraw/zinc/59/19/87/650591987.db2.gz BTXBLARUPGDFJH-OAHLLOKOSA-N 1 2 397.313 2.321 20 0 GEADLO Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1Br ZINC000479030918 650594512 /nfs/dbraw/zinc/59/45/12/650594512.db2.gz ZEYKKRYIXSZXSA-INIZCTEOSA-N 1 2 397.313 2.321 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)ccc1Br ZINC000516490244 650597467 /nfs/dbraw/zinc/59/74/67/650597467.db2.gz PBZJLTOHCWVOIN-LLVKDONJSA-N 1 2 379.258 2.414 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)ccc1Br ZINC000516490244 650597468 /nfs/dbraw/zinc/59/74/68/650597468.db2.gz PBZJLTOHCWVOIN-LLVKDONJSA-N 1 2 379.258 2.414 20 0 GEADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000518218928 650603178 /nfs/dbraw/zinc/60/31/78/650603178.db2.gz VELMJTFOWBJJDM-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000518218928 650603181 /nfs/dbraw/zinc/60/31/81/650603181.db2.gz VELMJTFOWBJJDM-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO O=C(Cn1cc(Br)cn1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000518257155 650603562 /nfs/dbraw/zinc/60/35/62/650603562.db2.gz UESCQVFTQVVFGV-UHFFFAOYSA-N 1 2 378.274 2.347 20 0 GEADLO O=C(CCNc1cc(Br)ccn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000480034532 650615020 /nfs/dbraw/zinc/61/50/20/650615020.db2.gz BJSDIAATHWIRCH-UHFFFAOYSA-N 1 2 390.285 2.390 20 0 GEADLO C[C@@H](NC(=O)COc1ccc(F)cc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000520527051 650615064 /nfs/dbraw/zinc/61/50/64/650615064.db2.gz SJMHCQLXJKLHJM-NEPJUHHUSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@H]([C@H](C)NC(=O)COc1ccc(F)cc1Br)[NH+]1CCOCC1 ZINC000520527052 650615090 /nfs/dbraw/zinc/61/50/90/650615090.db2.gz SJMHCQLXJKLHJM-NWDGAFQWSA-N 1 2 389.265 2.192 20 0 GEADLO Cc1c(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)cnn1C ZINC000480145036 650616195 /nfs/dbraw/zinc/61/61/95/650616195.db2.gz GXBLQRYWLMVXFL-AWEZNQCLSA-N 1 2 384.299 2.499 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(Br)c1 ZINC000480452433 650622744 /nfs/dbraw/zinc/62/27/44/650622744.db2.gz HGMJJHQKVVPGAK-LBPRGKRZSA-N 1 2 389.315 2.317 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c(Br)c1 ZINC000480452433 650622745 /nfs/dbraw/zinc/62/27/45/650622745.db2.gz HGMJJHQKVVPGAK-LBPRGKRZSA-N 1 2 389.315 2.317 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000480777390 650631983 /nfs/dbraw/zinc/63/19/83/650631983.db2.gz ILBOMKCTCCGJGL-UHFFFAOYSA-N 1 2 388.917 2.296 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000480777390 650631985 /nfs/dbraw/zinc/63/19/85/650631985.db2.gz ILBOMKCTCCGJGL-UHFFFAOYSA-N 1 2 388.917 2.296 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1cc(Br)ccc1F ZINC000480680103 650627938 /nfs/dbraw/zinc/62/79/38/650627938.db2.gz WGVWVWFOSASYQE-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1cc(Br)ccc1F ZINC000480680103 650627941 /nfs/dbraw/zinc/62/79/41/650627941.db2.gz WGVWVWFOSASYQE-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000480798208 650632869 /nfs/dbraw/zinc/63/28/69/650632869.db2.gz YEYNVZBOMQRZDX-AWEZNQCLSA-N 1 2 388.917 2.294 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000480798208 650632870 /nfs/dbraw/zinc/63/28/70/650632870.db2.gz YEYNVZBOMQRZDX-AWEZNQCLSA-N 1 2 388.917 2.294 20 0 GEADLO COc1cccc(CS(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000524234610 650639492 /nfs/dbraw/zinc/63/94/92/650639492.db2.gz CGHHZDNUAWNQPM-UHFFFAOYSA-N 1 2 380.535 2.447 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1Br ZINC000481460810 650646694 /nfs/dbraw/zinc/64/66/94/650646694.db2.gz CGJGZMGUXZJBTC-NSHDSACASA-N 1 2 388.287 2.269 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000525437615 650654844 /nfs/dbraw/zinc/65/48/44/650654844.db2.gz UREJUGGXEOXGTL-CYBMUJFWSA-N 1 2 382.302 2.458 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000525437615 650654847 /nfs/dbraw/zinc/65/48/47/650654847.db2.gz UREJUGGXEOXGTL-CYBMUJFWSA-N 1 2 382.302 2.458 20 0 GEADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1nc(-c2cccc(Br)c2)no1 ZINC000483295508 650676034 /nfs/dbraw/zinc/67/60/34/650676034.db2.gz YUOZHRGHKXAIGG-FZMZJTMJSA-N 1 2 382.258 2.471 20 0 GEADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1nc(-c2cccc(Br)c2)no1 ZINC000483295508 650676037 /nfs/dbraw/zinc/67/60/37/650676037.db2.gz YUOZHRGHKXAIGG-FZMZJTMJSA-N 1 2 382.258 2.471 20 0 GEADLO C[C@@]1(Br)C[C@@H]1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000528218287 650686782 /nfs/dbraw/zinc/68/67/82/650686782.db2.gz QABGYOVJZUODTQ-SJLPKXTDSA-N 1 2 397.313 2.187 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2cc(CO)ccc2F)CC1)c1cccs1 ZINC000528343082 650689578 /nfs/dbraw/zinc/68/95/78/650689578.db2.gz UNJGYYMUUKXSII-UHFFFAOYSA-N 1 2 384.498 2.322 20 0 GEADLO CNC(=O)NC[C@H]1CN(c2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000528123236 650685479 /nfs/dbraw/zinc/68/54/79/650685479.db2.gz YUGPPRZRDSMZCU-ZDUSSCGKSA-N 1 2 379.258 2.132 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000528379717 650691774 /nfs/dbraw/zinc/69/17/74/650691774.db2.gz CUPRUTYDBRGHJM-UHFFFAOYSA-N 1 2 380.388 2.134 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000528379717 650691775 /nfs/dbraw/zinc/69/17/75/650691775.db2.gz CUPRUTYDBRGHJM-UHFFFAOYSA-N 1 2 380.388 2.134 20 0 GEADLO O=C(NC[C@H]1CCOC1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000485222937 650694611 /nfs/dbraw/zinc/69/46/11/650694611.db2.gz ZTEZZDPKMGFIBE-CYBMUJFWSA-N 1 2 397.273 2.487 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1COc2ccc(Cl)cc21 ZINC000485777555 650700262 /nfs/dbraw/zinc/70/02/62/650700262.db2.gz ZIFIYUXAIMXUSE-MAUKXSAKSA-N 1 2 382.913 2.140 20 0 GEADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H]2C[C@@]2(C)Br)CC1 ZINC000529115490 650701387 /nfs/dbraw/zinc/70/13/87/650701387.db2.gz ARXIZSYNUUOSBA-CRAIPNDOSA-N 1 2 394.313 2.463 20 0 GEADLO CCOCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486575836 650716095 /nfs/dbraw/zinc/71/60/95/650716095.db2.gz LMEYOFMZUBETSD-SJORKVTESA-N 1 2 376.469 2.445 20 0 GEADLO CCOCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000486575836 650716098 /nfs/dbraw/zinc/71/60/98/650716098.db2.gz LMEYOFMZUBETSD-SJORKVTESA-N 1 2 376.469 2.445 20 0 GEADLO Cc1nc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cs1 ZINC000530373659 650723859 /nfs/dbraw/zinc/72/38/59/650723859.db2.gz IJVAEKFOHXBTNF-UHFFFAOYSA-N 1 2 381.527 2.184 20 0 GEADLO COC(=O)C[C@](C)(NC(=O)Cc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000530406029 650724931 /nfs/dbraw/zinc/72/49/31/650724931.db2.gz YTQLFRSTOGXSHD-KRWDZBQOSA-N 1 2 394.269 2.320 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840555 650729422 /nfs/dbraw/zinc/72/94/22/650729422.db2.gz JRFKNBJFPYGFQR-IUODEOHRSA-N 1 2 375.922 2.065 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)o1 ZINC000530856963 650729606 /nfs/dbraw/zinc/72/96/06/650729606.db2.gz VFMZRANYJTYVLS-ZDUSSCGKSA-N 1 2 386.857 2.301 20 0 GEADLO COCCSCCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000486796079 650722046 /nfs/dbraw/zinc/72/20/46/650722046.db2.gz JZJNAUIVBUYLCZ-UHFFFAOYSA-N 1 2 392.974 2.416 20 0 GEADLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2nccn3nnnc23)CC1 ZINC000530901426 650730712 /nfs/dbraw/zinc/73/07/12/650730712.db2.gz IUPBPUAYTUWLQW-GFCCVEGCSA-N 1 2 388.273 2.165 20 0 GEADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531079533 650734529 /nfs/dbraw/zinc/73/45/29/650734529.db2.gz CLOUFHWMEHOLTM-DVOMOZLQSA-N 1 2 389.949 2.406 20 0 GEADLO CN(C[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531079802 650734554 /nfs/dbraw/zinc/73/45/54/650734554.db2.gz MUMQTHRHPIUZLJ-CJNGLKHVSA-N 1 2 387.933 2.019 20 0 GEADLO O=C(COC(=O)[C@H]1CC1(Cl)Cl)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000014562462 642377006 /nfs/dbraw/zinc/37/70/06/642377006.db2.gz QIWOBBQJGFWLOA-CQSZACIVSA-N 1 2 387.263 2.194 20 0 GEADLO C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Br)s1 ZINC000015521741 642381544 /nfs/dbraw/zinc/38/15/44/642381544.db2.gz DRMHDOFPBNRTIV-UHFFFAOYSA-N 1 2 388.209 2.331 20 0 GEADLO C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Br)s1 ZINC000015521741 642381551 /nfs/dbraw/zinc/38/15/51/642381551.db2.gz DRMHDOFPBNRTIV-UHFFFAOYSA-N 1 2 388.209 2.331 20 0 GEADLO Cc1c(S(=O)(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cnn1C ZINC000489128672 650755241 /nfs/dbraw/zinc/75/52/41/650755241.db2.gz LKKMIMKYNQURJX-MRXNPFEDSA-N 1 2 382.917 2.497 20 0 GEADLO C[C@H](C(=O)Nc1sccc1C(N)=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000029157550 642458826 /nfs/dbraw/zinc/45/88/26/642458826.db2.gz GLGBIPONXDHXAM-GFCCVEGCSA-N 1 2 378.523 2.053 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000031560115 642485705 /nfs/dbraw/zinc/48/57/05/642485705.db2.gz LPPGTEPQNXPFCE-INIZCTEOSA-N 1 2 376.469 2.380 20 0 GEADLO O=C(Cc1ccc(I)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488908963 650752409 /nfs/dbraw/zinc/75/24/09/650752409.db2.gz IGXOBYOOKLKKRT-CYBMUJFWSA-N 1 2 381.217 2.161 20 0 GEADLO C[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F)[NH+]1CCSCC1 ZINC000532759413 650752708 /nfs/dbraw/zinc/75/27/08/650752708.db2.gz HNRQNLDOYQXHCG-IUODEOHRSA-N 1 2 383.514 2.103 20 0 GEADLO Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000532762223 650752944 /nfs/dbraw/zinc/75/29/44/650752944.db2.gz CHGTYURUDLTDBI-ZBFHGGJFSA-N 1 2 379.551 2.272 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066362 642524970 /nfs/dbraw/zinc/52/49/70/642524970.db2.gz LIRSDPWUEQIHKI-MRVPVSSYSA-N 1 2 379.667 2.061 20 0 GEADLO CCCc1cc(=O)n2nc(N3CC[NH+](Cc4ccsc4)CC3)sc2n1 ZINC000533809017 650766075 /nfs/dbraw/zinc/76/60/75/650766075.db2.gz NSIWZIWDNDIQLW-UHFFFAOYSA-N 1 2 375.523 2.487 20 0 GEADLO NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000045069135 642588087 /nfs/dbraw/zinc/58/80/87/642588087.db2.gz SYEVYODYWCWIHU-UHFFFAOYSA-N 1 2 376.825 2.425 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000489817723 650764038 /nfs/dbraw/zinc/76/40/38/650764038.db2.gz MGTMUYBYHQHQSL-INIZCTEOSA-N 1 2 388.917 2.477 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000489817723 650764042 /nfs/dbraw/zinc/76/40/42/650764042.db2.gz MGTMUYBYHQHQSL-INIZCTEOSA-N 1 2 388.917 2.477 20 0 GEADLO O=S1(=O)CCC(C[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000534544576 650777444 /nfs/dbraw/zinc/77/74/44/650777444.db2.gz FOSZYIQYVMZCJX-UHFFFAOYSA-N 1 2 386.945 2.161 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000052134532 642710443 /nfs/dbraw/zinc/71/04/43/642710443.db2.gz HPYQIPLNZLVZBM-CQSZACIVSA-N 1 2 387.933 2.381 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000052134532 642710451 /nfs/dbraw/zinc/71/04/51/642710451.db2.gz HPYQIPLNZLVZBM-CQSZACIVSA-N 1 2 387.933 2.381 20 0 GEADLO Cc1n[nH]c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1Br ZINC000054675481 642755557 /nfs/dbraw/zinc/75/55/57/642755557.db2.gz UHRWLYONFSKBGB-UHFFFAOYSA-N 1 2 393.285 2.317 20 0 GEADLO Cc1cc(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)c(C)c[nH+]1 ZINC000535034708 650783388 /nfs/dbraw/zinc/78/33/88/650783388.db2.gz HUGYEKXASNZPAF-UHFFFAOYSA-N 1 2 397.294 2.436 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000057170161 642807515 /nfs/dbraw/zinc/80/75/15/642807515.db2.gz LBYIPQYPSFTWIB-LLVKDONJSA-N 1 2 376.873 2.289 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1csc(Br)c1 ZINC000057483614 642813570 /nfs/dbraw/zinc/81/35/70/642813570.db2.gz DDRSZXNSYZZOFZ-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO C[C@@H](CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C[NH+]1CCCCC1 ZINC000059419585 642831562 /nfs/dbraw/zinc/83/15/62/642831562.db2.gz YMTXPUGMCODSCQ-AWEZNQCLSA-N 1 2 388.555 2.028 20 0 GEADLO CC[C@@H](C(=O)NCCCn1cc(Br)cn1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000492354684 650790719 /nfs/dbraw/zinc/79/07/19/650790719.db2.gz FWMJAOSRBWXETK-GJZGRUSLSA-N 1 2 387.322 2.041 20 0 GEADLO CC[C@@H](C(=O)NCCCn1cc(Br)cn1)[N@H+]1CCO[C@@H](CC)C1 ZINC000492354684 650790720 /nfs/dbraw/zinc/79/07/20/650790720.db2.gz FWMJAOSRBWXETK-GJZGRUSLSA-N 1 2 387.322 2.041 20 0 GEADLO CS(=O)(=O)c1ccc(C(=O)NCCNc2cccc[nH+]2)cc1Br ZINC000535836564 650791280 /nfs/dbraw/zinc/79/12/80/650791280.db2.gz DSBSRCONUOQTGV-UHFFFAOYSA-N 1 2 398.282 2.090 20 0 GEADLO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000063853865 642863562 /nfs/dbraw/zinc/86/35/62/642863562.db2.gz JBKJDXACOLXXMA-LBPRGKRZSA-N 1 2 386.279 2.113 20 0 GEADLO O=C(c1cc(Br)cnc1Cl)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000065669963 642885110 /nfs/dbraw/zinc/88/51/10/642885110.db2.gz RMAYNWXBCTVRKR-GFCCVEGCSA-N 1 2 388.693 2.434 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000068507205 643004677 /nfs/dbraw/zinc/00/46/77/643004677.db2.gz ZUOATUZSCISRPY-UHFFFAOYSA-N 1 2 383.901 2.060 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000069253732 643026787 /nfs/dbraw/zinc/02/67/87/643026787.db2.gz CHGNOWJCPFQACP-UHFFFAOYSA-N 1 2 377.869 2.110 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cc(F)ccc2Cl)CC1 ZINC000069326285 643029543 /nfs/dbraw/zinc/02/95/43/643029543.db2.gz DRDREQQAFUWRQG-UHFFFAOYSA-N 1 2 377.869 2.110 20 0 GEADLO COc1cc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc(Cl)c1OC ZINC000092530001 643071696 /nfs/dbraw/zinc/07/16/96/643071696.db2.gz ZFEIPGWWJXPGJQ-UHFFFAOYSA-N 1 2 376.906 2.213 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)nc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000101568739 643108215 /nfs/dbraw/zinc/10/82/15/643108215.db2.gz VHDCPKDYJOCECO-UHFFFAOYSA-N 1 2 387.933 2.190 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000494686514 650814478 /nfs/dbraw/zinc/81/44/78/650814478.db2.gz OIZAORIHAYRBIL-BXUZGUMPSA-N 1 2 384.889 2.465 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000494686514 650814480 /nfs/dbraw/zinc/81/44/80/650814480.db2.gz OIZAORIHAYRBIL-BXUZGUMPSA-N 1 2 384.889 2.465 20 0 GEADLO CN(CC(=O)N1CCC(n2cc[nH+]c2)CC1)C(=O)c1ccc(Br)o1 ZINC000101866216 643117039 /nfs/dbraw/zinc/11/70/39/643117039.db2.gz AWEIGGUYAQVQMT-UHFFFAOYSA-N 1 2 395.257 2.174 20 0 GEADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000104065138 643176499 /nfs/dbraw/zinc/17/64/99/643176499.db2.gz UMQMEOFWCPULNT-LLVKDONJSA-N 1 2 384.889 2.452 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+](CCOCC(F)(F)F)C1)c1cccc(F)c1 ZINC000104725994 643189123 /nfs/dbraw/zinc/18/91/23/643189123.db2.gz LJGBNUBAJDFQJM-CYBMUJFWSA-N 1 2 384.395 2.147 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@@H+](CCOCC(F)(F)F)C1)c1cccc(F)c1 ZINC000104725994 643189129 /nfs/dbraw/zinc/18/91/29/643189129.db2.gz LJGBNUBAJDFQJM-CYBMUJFWSA-N 1 2 384.395 2.147 20 0 GEADLO C[C@H](NC(=O)NCc1cc(Br)ccc1F)[C@H](C)[NH+]1CCOCC1 ZINC000105141332 643200328 /nfs/dbraw/zinc/20/03/28/643200328.db2.gz JADHICHVTQWQSH-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000537747691 650822922 /nfs/dbraw/zinc/82/29/22/650822922.db2.gz FIZVZQVYYVHVEH-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000537747691 650822923 /nfs/dbraw/zinc/82/29/23/650822923.db2.gz FIZVZQVYYVHVEH-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)CNC(=O)c3c(F)cccc3Cl)sc2C1 ZINC000107342191 643253921 /nfs/dbraw/zinc/25/39/21/643253921.db2.gz PRRNKFZRDOAEIB-UHFFFAOYSA-N 1 2 382.848 2.292 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)CNC(=O)c3c(F)cccc3Cl)sc2C1 ZINC000107342191 643253925 /nfs/dbraw/zinc/25/39/25/643253925.db2.gz PRRNKFZRDOAEIB-UHFFFAOYSA-N 1 2 382.848 2.292 20 0 GEADLO CC(C)(CNC(=O)c1csc(I)c1)[NH+]1CCOCC1 ZINC000107432565 643256076 /nfs/dbraw/zinc/25/60/76/643256076.db2.gz NEKDMBWMRCARAT-UHFFFAOYSA-N 1 2 394.278 2.193 20 0 GEADLO COCC[N@H+](CCOc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000108853281 643283867 /nfs/dbraw/zinc/28/38/67/643283867.db2.gz TYHZWNPXYJNQTF-AWEZNQCLSA-N 1 2 381.416 2.220 20 0 GEADLO COCC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000108853281 643283870 /nfs/dbraw/zinc/28/38/70/643283870.db2.gz TYHZWNPXYJNQTF-AWEZNQCLSA-N 1 2 381.416 2.220 20 0 GEADLO Cc1cc([C@H](C)NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C)s1 ZINC000109355717 643294161 /nfs/dbraw/zinc/29/41/61/643294161.db2.gz WUCSTYJDHZGBLL-ZDUSSCGKSA-N 1 2 387.571 2.234 20 0 GEADLO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000109851315 643302710 /nfs/dbraw/zinc/30/27/10/643302710.db2.gz DXSUHNYGYSWYDW-OAHLLOKOSA-N 1 2 388.555 2.023 20 0 GEADLO CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000109851315 643302716 /nfs/dbraw/zinc/30/27/16/643302716.db2.gz DXSUHNYGYSWYDW-OAHLLOKOSA-N 1 2 388.555 2.023 20 0 GEADLO CCOC(=O)CCS(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000109842732 643302740 /nfs/dbraw/zinc/30/27/40/643302740.db2.gz NDQPHQFUVRPCFN-UHFFFAOYSA-N 1 2 388.917 2.131 20 0 GEADLO CCOC(=O)CCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000109842732 643302741 /nfs/dbraw/zinc/30/27/41/643302741.db2.gz NDQPHQFUVRPCFN-UHFFFAOYSA-N 1 2 388.917 2.131 20 0 GEADLO O=C(CN1CSCC1=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000110982214 643323673 /nfs/dbraw/zinc/32/36/73/643323673.db2.gz DPQLAGINCFSWDP-CQSZACIVSA-N 1 2 385.892 2.093 20 0 GEADLO O=C(CN1CSCC1=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000110982214 643323681 /nfs/dbraw/zinc/32/36/81/643323681.db2.gz DPQLAGINCFSWDP-CQSZACIVSA-N 1 2 385.892 2.093 20 0 GEADLO Cn1c(CCC(N)=O)nn(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1=S ZINC000111171809 643328550 /nfs/dbraw/zinc/32/85/50/643328550.db2.gz XDEHTKNNMDMJTG-CYBMUJFWSA-N 1 2 379.917 2.469 20 0 GEADLO Cn1c(CCC(N)=O)nn(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1=S ZINC000111171809 643328554 /nfs/dbraw/zinc/32/85/54/643328554.db2.gz XDEHTKNNMDMJTG-CYBMUJFWSA-N 1 2 379.917 2.469 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000497047966 650832003 /nfs/dbraw/zinc/83/20/03/650832003.db2.gz AWIQUKXCASROQV-LBPRGKRZSA-N 1 2 383.901 2.162 20 0 GEADLO CC(C)(C)c1nc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)cs1 ZINC000111405341 643340066 /nfs/dbraw/zinc/34/00/66/643340066.db2.gz CBTLDPUGVPRVPG-AWEZNQCLSA-N 1 2 375.560 2.019 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000111456281 643340509 /nfs/dbraw/zinc/34/05/09/643340509.db2.gz WFKFDJKYFYZBMT-ABAIWWIYSA-N 1 2 376.284 2.047 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000111684283 643345455 /nfs/dbraw/zinc/34/54/55/643345455.db2.gz AUCGQSCFASMKLQ-OAHLLOKOSA-N 1 2 380.539 2.499 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000111684283 643345456 /nfs/dbraw/zinc/34/54/56/643345456.db2.gz AUCGQSCFASMKLQ-OAHLLOKOSA-N 1 2 380.539 2.499 20 0 GEADLO Cc1ccc(OCc2nc(C[NH2+]CCN3CCCS3(=O)=O)cs2)cc1 ZINC000113336854 643394850 /nfs/dbraw/zinc/39/48/50/643394850.db2.gz QRSGCBCICAGTAS-UHFFFAOYSA-N 1 2 381.523 2.156 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccsc3)CC2)o1 ZINC000115586403 643442796 /nfs/dbraw/zinc/44/27/96/643442796.db2.gz XPIXVPIWPJQPMZ-UHFFFAOYSA-N 1 2 384.479 2.071 20 0 GEADLO Cc1cc(CNC(=O)NCCn2cc[nH+]c2)ccc1I ZINC000539600506 650845695 /nfs/dbraw/zinc/84/56/95/650845695.db2.gz IUIOKSQXTDLOGS-UHFFFAOYSA-N 1 2 384.221 2.296 20 0 GEADLO C[NH+](C)C1(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CCC1 ZINC000119776973 643572064 /nfs/dbraw/zinc/57/20/64/643572064.db2.gz BWDWCJOSJSNGAY-UHFFFAOYSA-N 1 2 378.274 2.335 20 0 GEADLO C[NH+]1CCC(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1 ZINC000120039032 643587475 /nfs/dbraw/zinc/58/74/75/643587475.db2.gz UBAHGGSDENGOFO-UHFFFAOYSA-N 1 2 380.495 2.224 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C(=O)N(C)C ZINC000126245815 643725430 /nfs/dbraw/zinc/72/54/30/643725430.db2.gz LFOPOJQQEIHQDC-YPMHNXCESA-N 1 2 388.295 2.039 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C(=O)N(C)C ZINC000126245815 643725431 /nfs/dbraw/zinc/72/54/31/643725431.db2.gz LFOPOJQQEIHQDC-YPMHNXCESA-N 1 2 388.295 2.039 20 0 GEADLO CN1C[C@@H](C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CC1=O ZINC000498780655 650865501 /nfs/dbraw/zinc/86/55/01/650865501.db2.gz PKTFQRZKPJGCAI-AWEZNQCLSA-N 1 2 384.307 2.158 20 0 GEADLO C[C@H](CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000127597366 643780239 /nfs/dbraw/zinc/78/02/39/643780239.db2.gz DZLBFZUXGPFTQT-PBHICJAKSA-N 1 2 399.329 2.094 20 0 GEADLO Cc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(Cl)cc1F ZINC000129465304 643822441 /nfs/dbraw/zinc/82/24/41/643822441.db2.gz CIBZKRRZBFZCQJ-UHFFFAOYSA-N 1 2 376.881 2.026 20 0 GEADLO C[C@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[NH+]1CCSCC1 ZINC000130871308 643853540 /nfs/dbraw/zinc/85/35/40/643853540.db2.gz RZKFOKUVVVOUBY-IAQYHMDHSA-N 1 2 385.892 2.138 20 0 GEADLO C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[NH+]1CCSCC1 ZINC000130871095 643853547 /nfs/dbraw/zinc/85/35/47/643853547.db2.gz RZKFOKUVVVOUBY-XHDPSFHLSA-N 1 2 385.892 2.138 20 0 GEADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000131180261 643867649 /nfs/dbraw/zinc/86/76/49/643867649.db2.gz YMVXEPMLPDHGLC-UHFFFAOYSA-N 1 2 379.869 2.449 20 0 GEADLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000132388810 643882425 /nfs/dbraw/zinc/88/24/25/643882425.db2.gz FZFMAASSDMSOFP-UHFFFAOYSA-N 1 2 389.227 2.439 20 0 GEADLO C/C(=C/c1cccc(Cl)c1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000133118507 643892436 /nfs/dbraw/zinc/89/24/36/643892436.db2.gz OZDPHVLQWXMVLD-OWBHPGMISA-N 1 2 384.929 2.369 20 0 GEADLO O=C(Nc1cnc(Br)cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133410189 643894378 /nfs/dbraw/zinc/89/43/78/643894378.db2.gz KHRVSEJUSIAXJP-ZDUSSCGKSA-N 1 2 377.242 2.079 20 0 GEADLO O=C(Nc1cnc(Br)cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133410189 643894381 /nfs/dbraw/zinc/89/43/81/643894381.db2.gz KHRVSEJUSIAXJP-ZDUSSCGKSA-N 1 2 377.242 2.079 20 0 GEADLO CC[N@H+](CCc1nccs1)CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000134090431 643901056 /nfs/dbraw/zinc/90/10/56/643901056.db2.gz JMUKFAIDACUFHD-UHFFFAOYSA-N 1 2 378.479 2.018 20 0 GEADLO CC[N@@H+](CCc1nccs1)CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000134090431 643901061 /nfs/dbraw/zinc/90/10/61/643901061.db2.gz JMUKFAIDACUFHD-UHFFFAOYSA-N 1 2 378.479 2.018 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)c1sccc1S(=O)(=O)C(F)F ZINC000136163772 643918512 /nfs/dbraw/zinc/91/85/12/643918512.db2.gz RDEAJAGQUJBDBD-UHFFFAOYSA-N 1 2 375.422 2.371 20 0 GEADLO O=S1(=O)CCC[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000542319934 650890206 /nfs/dbraw/zinc/89/02/06/650890206.db2.gz CLZUNUNECCSULZ-SNVBAGLBSA-N 1 2 375.281 2.241 20 0 GEADLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000156394375 644093588 /nfs/dbraw/zinc/09/35/88/644093588.db2.gz ZKOBDBRUSFIEBU-OLZOCXBDSA-N 1 2 387.311 2.146 20 0 GEADLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000156394375 644093591 /nfs/dbraw/zinc/09/35/91/644093591.db2.gz ZKOBDBRUSFIEBU-OLZOCXBDSA-N 1 2 387.311 2.146 20 0 GEADLO C[C@H]1OCC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@H]1C ZINC000156394737 644093747 /nfs/dbraw/zinc/09/37/47/644093747.db2.gz ZKOBDBRUSFIEBU-QWHCGFSZSA-N 1 2 387.311 2.146 20 0 GEADLO C[C@H]1OCC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)[C@H]1C ZINC000156394737 644093750 /nfs/dbraw/zinc/09/37/50/644093750.db2.gz ZKOBDBRUSFIEBU-QWHCGFSZSA-N 1 2 387.311 2.146 20 0 GEADLO COc1nc(N2CC[NH+](Cc3ccc(C)cn3)CC2)ncc1Br ZINC000156560821 644103356 /nfs/dbraw/zinc/10/33/56/644103356.db2.gz OULALBQKKHSLDG-UHFFFAOYSA-N 1 2 378.274 2.273 20 0 GEADLO O=S(=O)(NCCc1cn2c([nH+]1)CCCC2)c1cnc(Cl)c(Cl)c1 ZINC000158768369 644158817 /nfs/dbraw/zinc/15/88/17/644158817.db2.gz HCTRRTKJARPDNY-UHFFFAOYSA-N 1 2 375.281 2.442 20 0 GEADLO CCC[N@@H+]1CCC[C@H]1C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000159973415 644196139 /nfs/dbraw/zinc/19/61/39/644196139.db2.gz PLHAXINMCVTVRD-ZDUSSCGKSA-N 1 2 379.404 2.298 20 0 GEADLO CCC[N@H+]1CCC[C@H]1C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000159973415 644196143 /nfs/dbraw/zinc/19/61/43/644196143.db2.gz PLHAXINMCVTVRD-ZDUSSCGKSA-N 1 2 379.404 2.298 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000161779910 644219175 /nfs/dbraw/zinc/21/91/75/644219175.db2.gz VXLZJFYIYVZKDK-AWEZNQCLSA-N 1 2 396.329 2.223 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000161779910 644219187 /nfs/dbraw/zinc/21/91/87/644219187.db2.gz VXLZJFYIYVZKDK-AWEZNQCLSA-N 1 2 396.329 2.223 20 0 GEADLO CS(=O)(=O)CCCC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000162366234 644235260 /nfs/dbraw/zinc/23/52/60/644235260.db2.gz ZHMZEHZEPSCNIZ-UHFFFAOYSA-N 1 2 382.295 2.207 20 0 GEADLO CS(=O)(=O)CCCC[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000162366234 644235279 /nfs/dbraw/zinc/23/52/79/644235279.db2.gz ZHMZEHZEPSCNIZ-UHFFFAOYSA-N 1 2 382.295 2.207 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000170660602 644285040 /nfs/dbraw/zinc/28/50/40/644285040.db2.gz ANAZESUUMFDQNZ-NSHDSACASA-N 1 2 382.313 2.024 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000170660602 644285045 /nfs/dbraw/zinc/28/50/45/644285045.db2.gz ANAZESUUMFDQNZ-NSHDSACASA-N 1 2 382.313 2.024 20 0 GEADLO CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000171097297 644308458 /nfs/dbraw/zinc/30/84/58/644308458.db2.gz JGQDBVMDNBRPRO-KKNAONHISA-N 1 2 380.539 2.327 20 0 GEADLO CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000171097297 644308471 /nfs/dbraw/zinc/30/84/71/644308471.db2.gz JGQDBVMDNBRPRO-KKNAONHISA-N 1 2 380.539 2.327 20 0 GEADLO C[C@@H](NC(=O)NCCc1ccc(Br)s1)[C@H](C)[NH+]1CCOCC1 ZINC000171603466 644329796 /nfs/dbraw/zinc/32/97/96/644329796.db2.gz TXZBBWHKUYIVKF-NEPJUHHUSA-N 1 2 390.347 2.462 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000172475973 644339808 /nfs/dbraw/zinc/33/98/08/644339808.db2.gz NQVLUBWAIPKLHR-OAHLLOKOSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000172475973 644339814 /nfs/dbraw/zinc/33/98/14/644339814.db2.gz NQVLUBWAIPKLHR-OAHLLOKOSA-N 1 2 390.311 2.437 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)cc1OC ZINC000172793147 644343389 /nfs/dbraw/zinc/34/33/89/644343389.db2.gz DNGVUGVTMIBJIN-UHFFFAOYSA-N 1 2 394.269 2.118 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CCc3nn(C)c(=O)cc3C2)cc1OC ZINC000172793147 644343394 /nfs/dbraw/zinc/34/33/94/644343394.db2.gz DNGVUGVTMIBJIN-UHFFFAOYSA-N 1 2 394.269 2.118 20 0 GEADLO COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCc3c[nH+]ccc32)c1 ZINC000176737551 644404700 /nfs/dbraw/zinc/40/47/00/644404700.db2.gz RWACDQLCYGEXCY-UHFFFAOYSA-N 1 2 397.250 2.382 20 0 GEADLO CC(C)S(=O)(=O)CC[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000178226241 644431507 /nfs/dbraw/zinc/43/15/07/644431507.db2.gz DPQZZUFMRQWVSF-CQSZACIVSA-N 1 2 383.432 2.200 20 0 GEADLO CC(C)S(=O)(=O)CC[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000178226241 644431509 /nfs/dbraw/zinc/43/15/09/644431509.db2.gz DPQZZUFMRQWVSF-CQSZACIVSA-N 1 2 383.432 2.200 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000178525241 644434657 /nfs/dbraw/zinc/43/46/57/644434657.db2.gz LHMJZYHGDGFPQR-UHFFFAOYSA-N 1 2 377.447 2.199 20 0 GEADLO O=C(C[N@H+]1CCCN(CC(F)F)CC1)NCCOc1cccc(Cl)c1 ZINC000180578282 644508760 /nfs/dbraw/zinc/50/87/60/644508760.db2.gz RECWXOBLCBRTQH-UHFFFAOYSA-N 1 2 375.847 2.108 20 0 GEADLO O=C(C[N@@H+]1CCCN(CC(F)F)CC1)NCCOc1cccc(Cl)c1 ZINC000180578282 644508764 /nfs/dbraw/zinc/50/87/64/644508764.db2.gz RECWXOBLCBRTQH-UHFFFAOYSA-N 1 2 375.847 2.108 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCSC[C@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000544124463 650935019 /nfs/dbraw/zinc/93/50/19/650935019.db2.gz YJASQOVASFCOMR-WCQYABFASA-N 1 2 378.416 2.172 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCSC[C@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000544124463 650935025 /nfs/dbraw/zinc/93/50/25/650935025.db2.gz YJASQOVASFCOMR-WCQYABFASA-N 1 2 378.416 2.172 20 0 GEADLO O=C(c1ccc(I)c(O)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000544878613 650957076 /nfs/dbraw/zinc/95/70/76/650957076.db2.gz HYBMUXHGNVNZSZ-GFCCVEGCSA-N 1 2 397.216 2.498 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000181880098 644951465 /nfs/dbraw/zinc/95/14/65/644951465.db2.gz UDZNMPRIBFDSOO-OLZOCXBDSA-N 1 2 383.432 2.200 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000181880098 644951467 /nfs/dbraw/zinc/95/14/67/644951467.db2.gz UDZNMPRIBFDSOO-OLZOCXBDSA-N 1 2 383.432 2.200 20 0 GEADLO Cc1csc([C@H](C)CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000183183381 644984566 /nfs/dbraw/zinc/98/45/66/644984566.db2.gz XHMSWZHRWYHLTA-CXAGYDPISA-N 1 2 384.571 2.062 20 0 GEADLO O=C(C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)NCC(F)(F)F ZINC000183488214 644995586 /nfs/dbraw/zinc/99/55/86/644995586.db2.gz BYRRBNAZSUEDBL-UHFFFAOYSA-N 1 2 382.173 2.342 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@](C)(O)C3CC3)[nH+]c12 ZINC000545448594 650974945 /nfs/dbraw/zinc/97/49/45/650974945.db2.gz UCXGMPRJHKBWHU-KRWDZBQOSA-N 1 2 395.301 2.408 20 0 GEADLO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000186168800 645061823 /nfs/dbraw/zinc/06/18/23/645061823.db2.gz LQRBCBUCVYFZAE-MWLCHTKSSA-N 1 2 395.294 2.368 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000186766077 645075622 /nfs/dbraw/zinc/07/56/22/645075622.db2.gz SUMYIBUMFPUXBQ-HNNXBMFYSA-N 1 2 388.555 2.023 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CC[N@@H+]1CCO ZINC000187298123 645086997 /nfs/dbraw/zinc/08/69/97/645086997.db2.gz GADBUVCWKOHZMV-GFCCVEGCSA-N 1 2 383.279 2.318 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CC[N@H+]1CCO ZINC000187298123 645087000 /nfs/dbraw/zinc/08/70/00/645087000.db2.gz GADBUVCWKOHZMV-GFCCVEGCSA-N 1 2 383.279 2.318 20 0 GEADLO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)CN1CCOC1=S ZINC000189788235 645141082 /nfs/dbraw/zinc/14/10/82/645141082.db2.gz PKCYXFSTZPJLBE-UHFFFAOYSA-N 1 2 387.299 2.389 20 0 GEADLO COC(=O)CC[N@H+](Cc1cccc(Br)c1)CN1CCOC1=S ZINC000189788235 645141085 /nfs/dbraw/zinc/14/10/85/645141085.db2.gz PKCYXFSTZPJLBE-UHFFFAOYSA-N 1 2 387.299 2.389 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCC(Cl)(Cl)Cl)C1 ZINC000190367900 645153532 /nfs/dbraw/zinc/15/35/32/645153532.db2.gz QRIWIEYUEMQBLS-LLVKDONJSA-N 1 2 381.753 2.119 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCC(Cl)(Cl)Cl)C1 ZINC000190367900 645153535 /nfs/dbraw/zinc/15/35/35/645153535.db2.gz QRIWIEYUEMQBLS-LLVKDONJSA-N 1 2 381.753 2.119 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000190368350 645153582 /nfs/dbraw/zinc/15/35/82/645153582.db2.gz DAPZXORISKZVCD-ZFWWWQNUSA-N 1 2 376.469 2.398 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000190368350 645153586 /nfs/dbraw/zinc/15/35/86/645153586.db2.gz DAPZXORISKZVCD-ZFWWWQNUSA-N 1 2 376.469 2.398 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000192585607 645212600 /nfs/dbraw/zinc/21/26/00/645212600.db2.gz IFGKQOJYCJUQJC-HOTGVXAUSA-N 1 2 376.881 2.089 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1nc2c(s1)CCCC2 ZINC000192602943 645213753 /nfs/dbraw/zinc/21/37/53/645213753.db2.gz WUZRDEBJBFYKIG-KRWDZBQOSA-N 1 2 382.555 2.351 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC(C)(C)CS(C)(=O)=O)n2)C1 ZINC000546125160 650992345 /nfs/dbraw/zinc/99/23/45/650992345.db2.gz DNVIOIKEBJPKCF-LBPRGKRZSA-N 1 2 388.559 2.320 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC(C)(C)CS(C)(=O)=O)n2)C1 ZINC000546125160 650992351 /nfs/dbraw/zinc/99/23/51/650992351.db2.gz DNVIOIKEBJPKCF-LBPRGKRZSA-N 1 2 388.559 2.320 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC(C)(C)CS(C)(=O)=O)n2)C1 ZINC000546125155 650992376 /nfs/dbraw/zinc/99/23/76/650992376.db2.gz DNVIOIKEBJPKCF-GFCCVEGCSA-N 1 2 388.559 2.320 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC(C)(C)CS(C)(=O)=O)n2)C1 ZINC000546125155 650992378 /nfs/dbraw/zinc/99/23/78/650992378.db2.gz DNVIOIKEBJPKCF-GFCCVEGCSA-N 1 2 388.559 2.320 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000193575278 645285175 /nfs/dbraw/zinc/28/51/75/645285175.db2.gz XXADXPUZYRRZAL-TXEJJXNPSA-N 1 2 388.295 2.500 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000193575278 645285178 /nfs/dbraw/zinc/28/51/78/645285178.db2.gz XXADXPUZYRRZAL-TXEJJXNPSA-N 1 2 388.295 2.500 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000193605161 645289245 /nfs/dbraw/zinc/28/92/45/645289245.db2.gz ZYIYMHCDEGXLHT-UHFFFAOYSA-N 1 2 393.285 2.258 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000193605161 645289247 /nfs/dbraw/zinc/28/92/47/645289247.db2.gz ZYIYMHCDEGXLHT-UHFFFAOYSA-N 1 2 393.285 2.258 20 0 GEADLO Cc1ccc(OCCC(=O)N[C@H](C)C[NH+]2CCOCC2)c(Br)c1 ZINC000195026329 645355164 /nfs/dbraw/zinc/35/51/64/645355164.db2.gz PQUPKAAYQARUTJ-CQSZACIVSA-N 1 2 385.302 2.363 20 0 GEADLO CCc1nsc(N2CC[NH+](Cc3ccc4c(c3)sc(=O)n4C)CC2)n1 ZINC000195031566 645355910 /nfs/dbraw/zinc/35/59/10/645355910.db2.gz KUBHLWHOBPDEAR-UHFFFAOYSA-N 1 2 375.523 2.336 20 0 GEADLO O[C@H](CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)C[NH+]1CCOCC1 ZINC000245399782 645453232 /nfs/dbraw/zinc/45/32/32/645453232.db2.gz AYOQOUYKKOHTPV-YOEHRIQHSA-N 1 2 375.296 2.060 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)NCCNc2cccc[nH+]2)c1 ZINC000546882118 651012946 /nfs/dbraw/zinc/01/29/46/651012946.db2.gz SKAVTDXUTUANSI-UHFFFAOYSA-N 1 2 386.271 2.243 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)COCC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000245745468 645467675 /nfs/dbraw/zinc/46/76/75/645467675.db2.gz MTTVVJBVGBKDFB-HIFRSBDPSA-N 1 2 380.794 2.407 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)COCC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000245745468 645467681 /nfs/dbraw/zinc/46/76/81/645467681.db2.gz MTTVVJBVGBKDFB-HIFRSBDPSA-N 1 2 380.794 2.407 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C[C@H](C)O ZINC000245778902 645468981 /nfs/dbraw/zinc/46/89/81/645468981.db2.gz BPZZFVRMGJVXSB-GXTWGEPZSA-N 1 2 380.432 2.171 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[N@H+]1C[C@H](C)O ZINC000245778902 645468985 /nfs/dbraw/zinc/46/89/85/645468985.db2.gz BPZZFVRMGJVXSB-GXTWGEPZSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1)[NH+]1CCOCC1 ZINC000246444414 645484536 /nfs/dbraw/zinc/48/45/36/645484536.db2.gz UWXKVAIICOQUMO-HWWQOWPSSA-N 1 2 390.311 2.435 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246607109 645487406 /nfs/dbraw/zinc/48/74/06/645487406.db2.gz AZSVLMWOVYSUTC-WCQYABFASA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246607109 645487409 /nfs/dbraw/zinc/48/74/09/645487409.db2.gz AZSVLMWOVYSUTC-WCQYABFASA-N 1 2 384.325 2.488 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)[NH+]1CCOCC1 ZINC000247107018 645504976 /nfs/dbraw/zinc/50/49/76/645504976.db2.gz VPUZFHQFPDFUFV-YWPYICTPSA-N 1 2 390.311 2.435 20 0 GEADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000247541159 645512316 /nfs/dbraw/zinc/51/23/16/645512316.db2.gz YKEZEUNHMSFVST-QLFBSQMISA-N 1 2 387.571 2.348 20 0 GEADLO CNc1nnc(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000248738888 645536055 /nfs/dbraw/zinc/53/60/55/645536055.db2.gz QBZWQMYBKCLIEL-DOMZBBRYSA-N 1 2 383.880 2.476 20 0 GEADLO CNc1nnc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000248738888 645536061 /nfs/dbraw/zinc/53/60/61/645536061.db2.gz QBZWQMYBKCLIEL-DOMZBBRYSA-N 1 2 383.880 2.476 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)ccc1Br ZINC000261602519 645589368 /nfs/dbraw/zinc/58/93/68/645589368.db2.gz ALBLCUBZQIGSIC-INIZCTEOSA-N 1 2 396.310 2.488 20 0 GEADLO Nc1ncc(Cl)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261615124 645590122 /nfs/dbraw/zinc/59/01/22/645590122.db2.gz COHQFPNBHLMNKP-ZDUSSCGKSA-N 1 2 387.292 2.306 20 0 GEADLO O=C(c1ccc(Br)s1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261693189 645593736 /nfs/dbraw/zinc/59/37/36/645593736.db2.gz IQWVXPVDIBMOFQ-UHFFFAOYSA-N 1 2 396.314 2.225 20 0 GEADLO O=S(=O)(Cc1ccc(Br)cc1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261800258 645601588 /nfs/dbraw/zinc/60/15/88/645601588.db2.gz VTQUYUMLCUDMDA-MRXNPFEDSA-N 1 2 396.310 2.320 20 0 GEADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000262286176 645624449 /nfs/dbraw/zinc/62/44/49/645624449.db2.gz MIVMYAUIXOHXPN-GFCCVEGCSA-N 1 2 393.271 2.201 20 0 GEADLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000264733545 645708313 /nfs/dbraw/zinc/70/83/13/645708313.db2.gz QGDLBDZHICFCON-UNEWFSDZSA-N 1 2 384.929 2.163 20 0 GEADLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000264733545 645708316 /nfs/dbraw/zinc/70/83/16/645708316.db2.gz QGDLBDZHICFCON-UNEWFSDZSA-N 1 2 384.929 2.163 20 0 GEADLO O=S(=O)(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000547643513 651040733 /nfs/dbraw/zinc/04/07/33/651040733.db2.gz HKWGLLGAHXSIEE-NSHDSACASA-N 1 2 375.372 2.118 20 0 GEADLO CC(C)(CCS(C)(=O)=O)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000266553322 645849490 /nfs/dbraw/zinc/84/94/90/645849490.db2.gz SNNHIIPXHUUDJA-UHFFFAOYSA-N 1 2 388.559 2.464 20 0 GEADLO CC[N@H+](CCOc1ccc(C(=O)OC)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000266622555 645854132 /nfs/dbraw/zinc/85/41/32/645854132.db2.gz GELXWRQJZKXTOS-ZDUSSCGKSA-N 1 2 375.874 2.014 20 0 GEADLO CC[N@@H+](CCOc1ccc(C(=O)OC)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000266622555 645854135 /nfs/dbraw/zinc/85/41/35/645854135.db2.gz GELXWRQJZKXTOS-ZDUSSCGKSA-N 1 2 375.874 2.014 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)N2CC[N@@H+](C)CC23CCCCC3)s1 ZINC000267270752 645894175 /nfs/dbraw/zinc/89/41/75/645894175.db2.gz MLIJUBWNLTVBOK-UHFFFAOYSA-N 1 2 385.555 2.023 20 0 GEADLO CC(=O)NCc1ccc(S(=O)(=O)N2CC[N@H+](C)CC23CCCCC3)s1 ZINC000267270752 645894176 /nfs/dbraw/zinc/89/41/76/645894176.db2.gz MLIJUBWNLTVBOK-UHFFFAOYSA-N 1 2 385.555 2.023 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CCS(=O)(=O)CC3)n2)C1 ZINC000267312715 645897622 /nfs/dbraw/zinc/89/76/22/645897622.db2.gz XNFZOXKFOKKTEV-GFCCVEGCSA-N 1 2 386.543 2.074 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CCS(=O)(=O)CC3)n2)C1 ZINC000267312715 645897624 /nfs/dbraw/zinc/89/76/24/645897624.db2.gz XNFZOXKFOKKTEV-GFCCVEGCSA-N 1 2 386.543 2.074 20 0 GEADLO COc1cc(NC(=O)CC[S@@](=O)Cc2c[nH+]cn2C)c(OC)cc1Cl ZINC000268132845 645946595 /nfs/dbraw/zinc/94/65/95/645946595.db2.gz FXUKZWSGJUQBKJ-RUZDIDTESA-N 1 2 385.873 2.368 20 0 GEADLO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547982704 651059715 /nfs/dbraw/zinc/05/97/15/651059715.db2.gz ZJMWCXVHLKJVFM-RISCZKNCSA-N 1 2 376.869 2.471 20 0 GEADLO C[C@@H](NC(=O)C[S@@](=O)Cc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000268182064 645950667 /nfs/dbraw/zinc/95/06/67/645950667.db2.gz UDIBHECNKGUMMS-XFNZEKPQSA-N 1 2 384.299 2.309 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[S@@](=O)Cc1c[nH+]cn1C ZINC000268644319 645983076 /nfs/dbraw/zinc/98/30/76/645983076.db2.gz OQMUEIKVVKOZPQ-NRFANRHFSA-N 1 2 390.328 2.151 20 0 GEADLO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)c1 ZINC000269644869 646047806 /nfs/dbraw/zinc/04/78/06/646047806.db2.gz AEPMIDUFTFUBKZ-UONOGXRCSA-N 1 2 385.555 2.139 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000271323850 646191729 /nfs/dbraw/zinc/19/17/29/646191729.db2.gz CVJDJYZQHNHROF-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000271323850 646191736 /nfs/dbraw/zinc/19/17/36/646191736.db2.gz CVJDJYZQHNHROF-LLVKDONJSA-N 1 2 379.295 2.349 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Br)n1 ZINC000271626575 646216410 /nfs/dbraw/zinc/21/64/10/646216410.db2.gz JAIGJUNQSSBKNR-NSHDSACASA-N 1 2 392.257 2.220 20 0 GEADLO Cc1csc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1Br ZINC000277225470 646391175 /nfs/dbraw/zinc/39/11/75/646391175.db2.gz LTJBYHDNLNSOOW-UHFFFAOYSA-N 1 2 388.331 2.055 20 0 GEADLO CS(=O)(=O)Cc1cccc(CNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000277409781 646415084 /nfs/dbraw/zinc/41/50/84/646415084.db2.gz KIEPKKDPRWXEIO-UHFFFAOYSA-N 1 2 378.523 2.187 20 0 GEADLO CS(=O)(=O)Cc1cccc(CNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000277409781 646415088 /nfs/dbraw/zinc/41/50/88/646415088.db2.gz KIEPKKDPRWXEIO-UHFFFAOYSA-N 1 2 378.523 2.187 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCS(=O)(=O)C[C@H](C)C3)c[nH+]c12 ZINC000277550081 646440525 /nfs/dbraw/zinc/44/05/25/646440525.db2.gz QYIFVUORXMPKPH-LLVKDONJSA-N 1 2 386.315 2.272 20 0 GEADLO CC1(C)CN=C(N2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)S1 ZINC000277798500 646472619 /nfs/dbraw/zinc/47/26/19/646472619.db2.gz NHCVGMQIQWGYAW-UHFFFAOYSA-N 1 2 378.571 2.033 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277856263 646478553 /nfs/dbraw/zinc/47/85/53/646478553.db2.gz TWDDKOCMRWBHQX-ZFWWWQNUSA-N 1 2 380.432 2.072 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277856263 646478556 /nfs/dbraw/zinc/47/85/56/646478556.db2.gz TWDDKOCMRWBHQX-ZFWWWQNUSA-N 1 2 380.432 2.072 20 0 GEADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccoc1Br ZINC000278194005 646501613 /nfs/dbraw/zinc/50/16/13/646501613.db2.gz PDGFNTURMKLKPQ-ZDUSSCGKSA-N 1 2 393.285 2.378 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000278266005 646507828 /nfs/dbraw/zinc/50/78/28/646507828.db2.gz IRNOBRDQMPDCOR-UONOGXRCSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000278266005 646507832 /nfs/dbraw/zinc/50/78/32/646507832.db2.gz IRNOBRDQMPDCOR-UONOGXRCSA-N 1 2 376.266 2.434 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000278634792 646533876 /nfs/dbraw/zinc/53/38/76/646533876.db2.gz YHYGCYHWERCKPS-LLVKDONJSA-N 1 2 391.269 2.278 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cc(Br)ccc1F ZINC000278654894 646535272 /nfs/dbraw/zinc/53/52/72/646535272.db2.gz AKBBZKLRGJQCEP-GFCCVEGCSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1nc(C(F)(F)F)cs1 ZINC000279005053 646570573 /nfs/dbraw/zinc/57/05/73/646570573.db2.gz UGVVZLZXVGFGFB-QMMMGPOBSA-N 1 2 376.360 2.432 20 0 GEADLO O=C(C[N@H+]1CCCN(Cc2ncc(C(F)(F)F)s2)CC1)N1CCCC1 ZINC000279418874 646600260 /nfs/dbraw/zinc/60/02/60/646600260.db2.gz OUCXOBQTDVTSCM-UHFFFAOYSA-N 1 2 376.448 2.292 20 0 GEADLO O=C(C[N@@H+]1CCCN(Cc2ncc(C(F)(F)F)s2)CC1)N1CCCC1 ZINC000279418874 646600265 /nfs/dbraw/zinc/60/02/65/646600265.db2.gz OUCXOBQTDVTSCM-UHFFFAOYSA-N 1 2 376.448 2.292 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cc(F)cc(Br)c1 ZINC000279571537 646612704 /nfs/dbraw/zinc/61/27/04/646612704.db2.gz SXSXUZMEFQGFSU-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1=O ZINC000280274333 646666123 /nfs/dbraw/zinc/66/61/23/646666123.db2.gz YBIMYRBBWYFCEJ-NOZJJQNGSA-N 1 2 394.324 2.301 20 0 GEADLO C[C@H](Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)c1ccc(Br)cn1 ZINC000280297320 646668774 /nfs/dbraw/zinc/66/87/74/646668774.db2.gz RDNDMQFORMJXCD-NSHDSACASA-N 1 2 391.273 2.086 20 0 GEADLO C[C@H](Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)c1ccc(Br)cn1 ZINC000280297320 646668787 /nfs/dbraw/zinc/66/87/87/646668787.db2.gz RDNDMQFORMJXCD-NSHDSACASA-N 1 2 391.273 2.086 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000280850574 646725454 /nfs/dbraw/zinc/72/54/54/646725454.db2.gz VARADUCHQIZXGB-LBPRGKRZSA-N 1 2 395.301 2.198 20 0 GEADLO C[C@H](CNS(=O)(=O)CCC(F)(F)F)[NH+]1CCN(c2ccccc2)CC1 ZINC000281227295 646755797 /nfs/dbraw/zinc/75/57/97/646755797.db2.gz RUGZUDKBNWWRMF-CQSZACIVSA-N 1 2 379.448 2.069 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(F)cc1Br ZINC000285991481 646864433 /nfs/dbraw/zinc/86/44/33/646864433.db2.gz XUKINBJUXWRDCV-WFASDCNBSA-N 1 2 385.277 2.452 20 0 GEADLO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCn2c[nH+]cc2C1 ZINC000291079794 647175936 /nfs/dbraw/zinc/17/59/36/647175936.db2.gz JQMONPWEMZMAKI-GFCCVEGCSA-N 1 2 389.253 2.041 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000292155652 647182321 /nfs/dbraw/zinc/18/23/21/647182321.db2.gz OBWBNZOEBUAUEJ-AWEZNQCLSA-N 1 2 396.336 2.490 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000330718660 647348751 /nfs/dbraw/zinc/34/87/51/647348751.db2.gz DTDDRQLRJGBAMG-STQMWFEESA-N 1 2 376.906 2.126 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1Br ZINC000330976882 647361895 /nfs/dbraw/zinc/36/18/95/647361895.db2.gz VZZKHIDQHJOINJ-UHFFFAOYSA-N 1 2 387.322 2.478 20 0 GEADLO CC(C)c1n[nH]c(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1Br ZINC000330976882 647361899 /nfs/dbraw/zinc/36/18/99/647361899.db2.gz VZZKHIDQHJOINJ-UHFFFAOYSA-N 1 2 387.322 2.478 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(OC)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000331217389 647372352 /nfs/dbraw/zinc/37/23/52/647372352.db2.gz QMOPLQAEMAMFPR-ZIAGYGMSSA-N 1 2 390.933 2.123 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(OC)cc2C)CC[N@H+]1C[C@@H](C)O ZINC000331217389 647372358 /nfs/dbraw/zinc/37/23/58/647372358.db2.gz QMOPLQAEMAMFPR-ZIAGYGMSSA-N 1 2 390.933 2.123 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c(Cl)c1Cl ZINC000331218938 647372501 /nfs/dbraw/zinc/37/25/01/647372501.db2.gz XMFPDQXYAMFFQS-MNOVXSKESA-N 1 2 397.324 2.078 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(Cl)c1Cl ZINC000331218938 647372502 /nfs/dbraw/zinc/37/25/02/647372502.db2.gz XMFPDQXYAMFFQS-MNOVXSKESA-N 1 2 397.324 2.078 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000332036897 647407331 /nfs/dbraw/zinc/40/73/31/647407331.db2.gz YMOLSQHGZIXVBY-UHFFFAOYSA-N 1 2 395.297 2.452 20 0 GEADLO Cn1c[nH+]cc1Cc1noc(-c2ccc(Br)cc2-n2cncn2)n1 ZINC000350191757 647528898 /nfs/dbraw/zinc/52/88/98/647528898.db2.gz ONSBSPHGPNJGSU-UHFFFAOYSA-N 1 2 386.213 2.404 20 0 GEADLO Cn1c[nH+]cc1Cc1nc(CC(=O)Nc2ccccc2Br)no1 ZINC000350463884 647532327 /nfs/dbraw/zinc/53/23/27/647532327.db2.gz CHAYADKAQVJCFQ-UHFFFAOYSA-N 1 2 376.214 2.338 20 0 GEADLO O=S(=O)(Cc1cccc2cccnc21)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000364759317 647640852 /nfs/dbraw/zinc/64/08/52/647640852.db2.gz TVIQFUILRIWPJZ-KRWDZBQOSA-N 1 2 377.535 2.188 20 0 GEADLO CCn1cc(Br)cc1C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000365113981 647659849 /nfs/dbraw/zinc/65/98/49/647659849.db2.gz BLQUIRJSZTWHRB-OAHLLOKOSA-N 1 2 397.361 2.370 20 0 GEADLO C[N@@H+]1CCN(C2CCN(c3ncc(Br)cc3Cl)CC2)C(=O)C1 ZINC000365192254 647663680 /nfs/dbraw/zinc/66/36/80/647663680.db2.gz PMQCPNCLXWDJSZ-UHFFFAOYSA-N 1 2 387.709 2.240 20 0 GEADLO C[N@H+]1CCN(C2CCN(c3ncc(Br)cc3Cl)CC2)C(=O)C1 ZINC000365192254 647663682 /nfs/dbraw/zinc/66/36/82/647663682.db2.gz PMQCPNCLXWDJSZ-UHFFFAOYSA-N 1 2 387.709 2.240 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@@H]2N1 ZINC000366784941 647704158 /nfs/dbraw/zinc/70/41/58/647704158.db2.gz FSFCOOWRPSEIIY-KBPBESRZSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@@H]2N1 ZINC000366784941 647704165 /nfs/dbraw/zinc/70/41/65/647704165.db2.gz FSFCOOWRPSEIIY-KBPBESRZSA-N 1 2 392.253 2.193 20 0 GEADLO O=C(c1cncc(I)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000366791630 647704929 /nfs/dbraw/zinc/70/49/29/647704929.db2.gz ASKCCAPVDOAGBS-UHFFFAOYSA-N 1 2 382.205 2.429 20 0 GEADLO O=C(c1cncc(I)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000366791630 647704941 /nfs/dbraw/zinc/70/49/41/647704941.db2.gz ASKCCAPVDOAGBS-UHFFFAOYSA-N 1 2 382.205 2.429 20 0 GEADLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000366986787 647713120 /nfs/dbraw/zinc/71/31/20/647713120.db2.gz GHFNVNXSGSZGOT-HNNXBMFYSA-N 1 2 381.885 2.387 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000367000171 647714271 /nfs/dbraw/zinc/71/42/71/647714271.db2.gz CVZQWTWFXZYLMJ-IUODEOHRSA-N 1 2 381.325 2.429 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000367000171 647714278 /nfs/dbraw/zinc/71/42/78/647714278.db2.gz CVZQWTWFXZYLMJ-IUODEOHRSA-N 1 2 381.325 2.429 20 0 GEADLO O=C(c1ccccc1I)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367083631 647718509 /nfs/dbraw/zinc/71/85/09/647718509.db2.gz HQHQVVVMJGCILW-HNNXBMFYSA-N 1 2 393.228 2.473 20 0 GEADLO O=C(COc1ccccc1Br)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367084177 647718757 /nfs/dbraw/zinc/71/87/57/647718757.db2.gz LQAIGOCLHMAQKK-OAHLLOKOSA-N 1 2 376.254 2.396 20 0 GEADLO CN(C)S(=O)(=O)CC[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000367523077 647735043 /nfs/dbraw/zinc/73/50/43/647735043.db2.gz MAFOYFUQDSHKBI-CYBMUJFWSA-N 1 2 377.304 2.096 20 0 GEADLO CN(C)S(=O)(=O)CC[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000367523077 647735048 /nfs/dbraw/zinc/73/50/48/647735048.db2.gz MAFOYFUQDSHKBI-CYBMUJFWSA-N 1 2 377.304 2.096 20 0 GEADLO Nc1cc2c(nn1)CC[N@H+](Cc1cn(-c3ccc(Cl)c(Cl)c3)nn1)C2 ZINC000367767746 647743952 /nfs/dbraw/zinc/74/39/52/647743952.db2.gz DJUQRNMJJALARL-UHFFFAOYSA-N 1 2 376.251 2.505 20 0 GEADLO Nc1cc2c(nn1)CC[N@@H+](Cc1cn(-c3ccc(Cl)c(Cl)c3)nn1)C2 ZINC000367767746 647743957 /nfs/dbraw/zinc/74/39/57/647743957.db2.gz DJUQRNMJJALARL-UHFFFAOYSA-N 1 2 376.251 2.505 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369037834 647767594 /nfs/dbraw/zinc/76/75/94/647767594.db2.gz ZTTQGBSYBLATOS-BZNIZROVSA-N 1 2 382.258 2.351 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369037834 647767598 /nfs/dbraw/zinc/76/75/98/647767598.db2.gz ZTTQGBSYBLATOS-BZNIZROVSA-N 1 2 382.258 2.351 20 0 GEADLO O=S(=O)(C1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1)N1CCCC1 ZINC000370312825 647785124 /nfs/dbraw/zinc/78/51/24/647785124.db2.gz COCKBSNEGFRFRY-MRXNPFEDSA-N 1 2 385.555 2.385 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1)c1ccc(Br)cc1 ZINC000372616248 647809983 /nfs/dbraw/zinc/80/99/83/647809983.db2.gz FAJBBOPILMOTIP-SJKOYZFVSA-N 1 2 396.285 2.201 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1)c1ccc(Br)cc1 ZINC000372616248 647809992 /nfs/dbraw/zinc/80/99/92/647809992.db2.gz FAJBBOPILMOTIP-SJKOYZFVSA-N 1 2 396.285 2.201 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000374827786 647828102 /nfs/dbraw/zinc/82/81/02/647828102.db2.gz IKKPKYOUIPJSLQ-INIZCTEOSA-N 1 2 376.881 2.012 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000374827786 647828103 /nfs/dbraw/zinc/82/81/03/647828103.db2.gz IKKPKYOUIPJSLQ-INIZCTEOSA-N 1 2 376.881 2.012 20 0 GEADLO CN1CC[C@H]([NH2+]Cc2nnc(S(C)(=O)=O)s2)[C@H]1c1ccc(Cl)cc1 ZINC000377672472 647864562 /nfs/dbraw/zinc/86/45/62/647864562.db2.gz RATAXTCVVXVXKL-GXTWGEPZSA-N 1 2 386.930 2.130 20 0 GEADLO COC(=O)C[C@H]1COCCN1Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000377868330 647870546 /nfs/dbraw/zinc/87/05/46/647870546.db2.gz HISUGXHHSYFAGU-ZDUSSCGKSA-N 1 2 382.258 2.169 20 0 GEADLO O=S(=O)(c1ccc(Br)c(F)c1)N1CC[NH+](C2CCC2)CC1 ZINC000378709759 647887207 /nfs/dbraw/zinc/88/72/07/647887207.db2.gz KHAIXKOAIKTCSQ-UHFFFAOYSA-N 1 2 377.279 2.447 20 0 GEADLO CCN1C[C@@H]([NH2+]Cc2ncc(Br)cc2Br)CC1=O ZINC000391519955 647893506 /nfs/dbraw/zinc/89/35/06/647893506.db2.gz BWMDZIJSXIIXEG-VIFPVBQESA-N 1 2 377.080 2.317 20 0 GEADLO C[NH+]1CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2O)CC1 ZINC000408210184 647936646 /nfs/dbraw/zinc/93/66/46/647936646.db2.gz YLRKHKMQSCVUGB-UHFFFAOYSA-N 1 2 384.661 2.332 20 0 GEADLO Cc1nc(N(C)C)nc(NCc2cc(Br)c3c(c2)OCCO3)[nH+]1 ZINC000488371347 647959060 /nfs/dbraw/zinc/95/90/60/647959060.db2.gz VLEBAKGMJHPNEC-UHFFFAOYSA-N 1 2 380.246 2.392 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000409996419 647990179 /nfs/dbraw/zinc/99/01/79/647990179.db2.gz FGTBFGBSVQEYBA-KGLIPLIRSA-N 1 2 385.302 2.396 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)CC1 ZINC000410861622 648017537 /nfs/dbraw/zinc/01/75/37/648017537.db2.gz SPCVDUQNJLGXHV-UHFFFAOYSA-N 1 2 381.929 2.197 20 0 GEADLO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)Cc1ccnc(N)c1 ZINC000411698009 648032219 /nfs/dbraw/zinc/03/22/19/648032219.db2.gz WNENFGKJIPLKKX-UHFFFAOYSA-N 1 2 383.315 2.626 20 0 GEADLO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)Cc1ccnc(N)c1 ZINC000411698009 648032222 /nfs/dbraw/zinc/03/22/22/648032222.db2.gz WNENFGKJIPLKKX-UHFFFAOYSA-N 1 2 383.315 2.626 20 0 GEADLO CNC(=O)NC1CC[NH+](Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000412054474 648042340 /nfs/dbraw/zinc/04/23/40/648042340.db2.gz MAFAUWQQDNWCEX-UHFFFAOYSA-N 1 2 380.290 2.229 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCO[C@@H](CF)C3)[nH+]c12 ZINC000413461679 648065026 /nfs/dbraw/zinc/06/50/26/648065026.db2.gz WBJRKQYAAPWUMW-AWEZNQCLSA-N 1 2 399.264 2.328 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1ccsc1Br ZINC000413525220 648070618 /nfs/dbraw/zinc/07/06/18/648070618.db2.gz YQLHQCXDDSYBAP-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416493759 648148033 /nfs/dbraw/zinc/14/80/33/648148033.db2.gz IGWQZAWNVSEYNM-AWEZNQCLSA-N 1 2 387.933 2.113 20 0 GEADLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000416493759 648148037 /nfs/dbraw/zinc/14/80/37/648148037.db2.gz IGWQZAWNVSEYNM-AWEZNQCLSA-N 1 2 387.933 2.113 20 0 GEADLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000416496271 648148890 /nfs/dbraw/zinc/14/88/90/648148890.db2.gz OSAHEWLMRAZEIF-GFCCVEGCSA-N 1 2 376.906 2.462 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000416537188 648165217 /nfs/dbraw/zinc/16/52/17/648165217.db2.gz SEPGALROOXEZPG-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO CSc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1Cl ZINC000416658710 648204179 /nfs/dbraw/zinc/20/41/79/648204179.db2.gz GCEZEQLVHPXLJL-VXGBXAGGSA-N 1 2 378.947 2.138 20 0 GEADLO CSc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1Cl ZINC000416658710 648204185 /nfs/dbraw/zinc/20/41/85/648204185.db2.gz GCEZEQLVHPXLJL-VXGBXAGGSA-N 1 2 378.947 2.138 20 0 GEADLO CSc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1Cl ZINC000416658709 648204228 /nfs/dbraw/zinc/20/42/28/648204228.db2.gz GCEZEQLVHPXLJL-RYUDHWBXSA-N 1 2 378.947 2.138 20 0 GEADLO CSc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1Cl ZINC000416658709 648204230 /nfs/dbraw/zinc/20/42/30/648204230.db2.gz GCEZEQLVHPXLJL-RYUDHWBXSA-N 1 2 378.947 2.138 20 0 GEADLO CSc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1Cl ZINC000416658708 648204296 /nfs/dbraw/zinc/20/42/96/648204296.db2.gz GCEZEQLVHPXLJL-NWDGAFQWSA-N 1 2 378.947 2.138 20 0 GEADLO CSc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1Cl ZINC000416658708 648204298 /nfs/dbraw/zinc/20/42/98/648204298.db2.gz GCEZEQLVHPXLJL-NWDGAFQWSA-N 1 2 378.947 2.138 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1Cl ZINC000416662198 648205499 /nfs/dbraw/zinc/20/54/99/648205499.db2.gz KNVTWUBRBIJXJW-MNOVXSKESA-N 1 2 397.324 2.078 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1Cl ZINC000416662198 648205502 /nfs/dbraw/zinc/20/55/02/648205502.db2.gz KNVTWUBRBIJXJW-MNOVXSKESA-N 1 2 397.324 2.078 20 0 GEADLO OCCO[C@@H]1CCC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000417799925 648262487 /nfs/dbraw/zinc/26/24/87/648262487.db2.gz TWXBMBGFDQVPGM-CYBMUJFWSA-N 1 2 379.213 2.404 20 0 GEADLO OCCO[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC000417799925 648262501 /nfs/dbraw/zinc/26/25/01/648262501.db2.gz TWXBMBGFDQVPGM-CYBMUJFWSA-N 1 2 379.213 2.404 20 0 GEADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(F)cc1I ZINC000418121538 648282947 /nfs/dbraw/zinc/28/29/47/648282947.db2.gz XEZVJOLPUSRAEC-HZMBPMFUSA-N 1 2 379.213 2.402 20 0 GEADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc(F)cc1I ZINC000418121538 648282951 /nfs/dbraw/zinc/28/29/51/648282951.db2.gz XEZVJOLPUSRAEC-HZMBPMFUSA-N 1 2 379.213 2.402 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000420685717 648435817 /nfs/dbraw/zinc/43/58/17/648435817.db2.gz GJMGHJZUFFMERF-GHMZBOCLSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000420685717 648435819 /nfs/dbraw/zinc/43/58/19/648435819.db2.gz GJMGHJZUFFMERF-GHMZBOCLSA-N 1 2 398.859 2.017 20 0 GEADLO Cc1cc(CNC(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)cc(C)[nH+]1 ZINC000422376263 648541072 /nfs/dbraw/zinc/54/10/72/648541072.db2.gz HNVUNQUUKLZKHW-LBPRGKRZSA-N 1 2 391.269 2.350 20 0 GEADLO Cc1ccc(Br)c(CNC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000422510533 648553715 /nfs/dbraw/zinc/55/37/15/648553715.db2.gz AUUGGJCEPIOJHY-UHFFFAOYSA-N 1 2 393.285 2.119 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCCCS(C)(=O)=O)n2)C1 ZINC000424110238 648613533 /nfs/dbraw/zinc/61/35/33/648613533.db2.gz XUTQGFVUCVIPNS-CYBMUJFWSA-N 1 2 388.559 2.321 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCCCS(C)(=O)=O)n2)C1 ZINC000424110238 648613540 /nfs/dbraw/zinc/61/35/40/648613540.db2.gz XUTQGFVUCVIPNS-CYBMUJFWSA-N 1 2 388.559 2.321 20 0 GEADLO C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F)c1c(F)cccc1Cl ZINC000424539568 648633523 /nfs/dbraw/zinc/63/35/23/648633523.db2.gz CMLNRUUVVFZXEW-VHSXEESVSA-N 1 2 377.794 2.017 20 0 GEADLO C[C@@H](NC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F)c1c(F)cccc1Cl ZINC000424539562 648633533 /nfs/dbraw/zinc/63/35/33/648633533.db2.gz CMLNRUUVVFZXEW-NXEZZACHSA-N 1 2 377.794 2.017 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1c(C)ccc(Br)c1OC ZINC000424744541 648643870 /nfs/dbraw/zinc/64/38/70/648643870.db2.gz BZXSYVYIKVPVIR-LBPRGKRZSA-N 1 2 396.241 2.003 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1c(C)ccc(Br)c1OC ZINC000424744541 648643875 /nfs/dbraw/zinc/64/38/75/648643875.db2.gz BZXSYVYIKVPVIR-LBPRGKRZSA-N 1 2 396.241 2.003 20 0 GEADLO Cc1noc(C2(C)CC[NH+](Cc3ccc(S(=O)(=O)N(C)C)s3)CC2)n1 ZINC000425454310 648678860 /nfs/dbraw/zinc/67/88/60/648678860.db2.gz GMHNZVBATHABEJ-UHFFFAOYSA-N 1 2 384.527 2.244 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H](CO)[C@H]3C)[nH+]c12 ZINC000426190551 648707244 /nfs/dbraw/zinc/70/72/44/648707244.db2.gz GNQSTNKCGCMMOU-CHWSQXEVSA-N 1 2 395.301 2.360 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000429869790 648756224 /nfs/dbraw/zinc/75/62/24/648756224.db2.gz QDOPQSAJXUEJOW-KGLIPLIRSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000429869790 648756228 /nfs/dbraw/zinc/75/62/28/648756228.db2.gz QDOPQSAJXUEJOW-KGLIPLIRSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000429869792 648756315 /nfs/dbraw/zinc/75/63/15/648756315.db2.gz QDOPQSAJXUEJOW-ZIAGYGMSSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000429869792 648756318 /nfs/dbraw/zinc/75/63/18/648756318.db2.gz QDOPQSAJXUEJOW-ZIAGYGMSSA-N 1 2 382.917 2.357 20 0 GEADLO C[NH+](C)C1CCN(CCNC(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436846315 648795761 /nfs/dbraw/zinc/79/57/61/648795761.db2.gz BZDDINQPFJWOCP-UHFFFAOYSA-N 1 2 388.281 2.050 20 0 GEADLO CC[NH+]1CCN(CCCNC(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436849680 648796297 /nfs/dbraw/zinc/79/62/97/648796297.db2.gz UPCMTWUACNBHIS-UHFFFAOYSA-N 1 2 388.281 2.051 20 0 GEADLO C[N@H+](CCCO)C1CCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436860806 648797766 /nfs/dbraw/zinc/79/77/66/648797766.db2.gz YKFQDNNFMXBILS-UHFFFAOYSA-N 1 2 389.265 2.213 20 0 GEADLO C[N@@H+](CCCO)C1CCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436860806 648797774 /nfs/dbraw/zinc/79/77/74/648797774.db2.gz YKFQDNNFMXBILS-UHFFFAOYSA-N 1 2 389.265 2.213 20 0 GEADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)[C@@H]1n1cccn1 ZINC000550326222 651109557 /nfs/dbraw/zinc/10/95/57/651109557.db2.gz WCRAQGGWOAZGRV-INMHGKMJSA-N 1 2 383.901 2.448 20 0 GEADLO C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000550415374 651110870 /nfs/dbraw/zinc/11/08/70/651110870.db2.gz XQIVYIRGJUTNQU-DVOMOZLQSA-N 1 2 383.945 2.411 20 0 GEADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000550446255 651111443 /nfs/dbraw/zinc/11/14/43/651111443.db2.gz KPWRHAKUKHOBTN-OAHLLOKOSA-N 1 2 391.269 2.126 20 0 GEADLO Cc1cnn(CC[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 ZINC000551387226 651123561 /nfs/dbraw/zinc/12/35/61/651123561.db2.gz YWKKSTLYIRPKHQ-UHFFFAOYSA-N 1 2 377.286 2.412 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cccc(I)c2)C1 ZINC000551804327 651133046 /nfs/dbraw/zinc/13/30/46/651133046.db2.gz SRUFEIXCHSDRHW-CQSZACIVSA-N 1 2 385.249 2.327 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cccc(I)c2)C1 ZINC000551804327 651133047 /nfs/dbraw/zinc/13/30/47/651133047.db2.gz SRUFEIXCHSDRHW-CQSZACIVSA-N 1 2 385.249 2.327 20 0 GEADLO CN(Cc1ccc(Br)cc1)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000551851488 651134243 /nfs/dbraw/zinc/13/42/43/651134243.db2.gz TXOIFETVXGDEMV-UHFFFAOYSA-N 1 2 393.285 2.201 20 0 GEADLO O=C(NCc1c[nH+]c2n1CCCC2)c1ccc(I)c(O)c1 ZINC000552445863 651149429 /nfs/dbraw/zinc/14/94/29/651149429.db2.gz JOHFRZKMRTUJSF-UHFFFAOYSA-N 1 2 397.216 2.460 20 0 GEADLO O=C(c1csnn1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552806226 651158599 /nfs/dbraw/zinc/15/85/99/651158599.db2.gz SWWOAGQYALBCQL-UHFFFAOYSA-N 1 2 382.243 2.433 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000554743252 651212335 /nfs/dbraw/zinc/21/23/35/651212335.db2.gz KPALUZXOXNCQPL-ZDUSSCGKSA-N 1 2 385.917 2.072 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000554743252 651212338 /nfs/dbraw/zinc/21/23/38/651212338.db2.gz KPALUZXOXNCQPL-ZDUSSCGKSA-N 1 2 385.917 2.072 20 0 GEADLO Cc1nnc([C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccccc3Br)C2)[nH]1 ZINC000556815020 651254175 /nfs/dbraw/zinc/25/41/75/651254175.db2.gz AUQHTFJECAGESC-AWEZNQCLSA-N 1 2 392.301 2.324 20 0 GEADLO Cc1nnc([C@H]2CC[N@H+](CC(=O)N(C)Cc3ccccc3Br)C2)[nH]1 ZINC000556815020 651254177 /nfs/dbraw/zinc/25/41/77/651254177.db2.gz AUQHTFJECAGESC-AWEZNQCLSA-N 1 2 392.301 2.324 20 0 GEADLO Cc1n[nH]c([C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccccc3Br)C2)n1 ZINC000556815020 651254178 /nfs/dbraw/zinc/25/41/78/651254178.db2.gz AUQHTFJECAGESC-AWEZNQCLSA-N 1 2 392.301 2.324 20 0 GEADLO Cc1n[nH]c([C@H]2CC[N@H+](CC(=O)N(C)Cc3ccccc3Br)C2)n1 ZINC000556815020 651254179 /nfs/dbraw/zinc/25/41/79/651254179.db2.gz AUQHTFJECAGESC-AWEZNQCLSA-N 1 2 392.301 2.324 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc2nccnc2c1Br ZINC000558488775 651280787 /nfs/dbraw/zinc/28/07/87/651280787.db2.gz MCBBXFHZZSRECH-LLVKDONJSA-N 1 2 394.273 2.235 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc2nccnc2c1Br ZINC000558488775 651280790 /nfs/dbraw/zinc/28/07/90/651280790.db2.gz MCBBXFHZZSRECH-LLVKDONJSA-N 1 2 394.273 2.235 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CCNC(=O)CCn1cc[nH+]c1 ZINC000558777930 651285040 /nfs/dbraw/zinc/28/50/40/651285040.db2.gz COYVMZNKOPIQGW-UHFFFAOYSA-N 1 2 379.258 2.489 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000559232484 651293365 /nfs/dbraw/zinc/29/33/65/651293365.db2.gz NTSGDHZZRDKMNE-AWEZNQCLSA-N 1 2 376.320 2.263 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000559232484 651293367 /nfs/dbraw/zinc/29/33/67/651293367.db2.gz NTSGDHZZRDKMNE-AWEZNQCLSA-N 1 2 376.320 2.263 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000559284109 651294894 /nfs/dbraw/zinc/29/48/94/651294894.db2.gz WSNXQLQYHQPKNG-GPCCPHFNSA-N 1 2 380.794 2.361 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000559284109 651294896 /nfs/dbraw/zinc/29/48/96/651294896.db2.gz WSNXQLQYHQPKNG-GPCCPHFNSA-N 1 2 380.794 2.361 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000559629738 651299356 /nfs/dbraw/zinc/29/93/56/651299356.db2.gz BKQVFTZRQIADGV-GFCCVEGCSA-N 1 2 381.263 2.359 20 0 GEADLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000559789924 651301055 /nfs/dbraw/zinc/30/10/55/651301055.db2.gz DLPMAGGJZHEQPM-ZDUSSCGKSA-N 1 2 387.933 2.116 20 0 GEADLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000559789924 651301058 /nfs/dbraw/zinc/30/10/58/651301058.db2.gz DLPMAGGJZHEQPM-ZDUSSCGKSA-N 1 2 387.933 2.116 20 0 GEADLO COC(=O)[C@@H]([NH3+])Cc1cn(CCSc2cc(Cl)ccc2Cl)nn1 ZINC000603177339 651470767 /nfs/dbraw/zinc/47/07/67/651470767.db2.gz LHGWUSOZWFTBIY-LBPRGKRZSA-N 1 2 375.281 2.420 20 0 GEADLO COC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCCc3ccc(Br)cc32)nn1 ZINC000603239678 651473339 /nfs/dbraw/zinc/47/33/39/651473339.db2.gz JOLGQWXLAATFHZ-LSDHHAIUSA-N 1 2 379.258 2.009 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000642773245 651474699 /nfs/dbraw/zinc/47/46/99/651474699.db2.gz GCBZOBBEWHIPGT-KGLIPLIRSA-N 1 2 379.309 2.213 20 0 GEADLO COc1ccc([C@H]2NC(=O)N(CCc3cn(C)c[nH+]3)C2=O)cc1Br ZINC000642965059 651476365 /nfs/dbraw/zinc/47/63/65/651476365.db2.gz SZRLVQCKPCTGCZ-CQSZACIVSA-N 1 2 393.241 2.027 20 0 GEADLO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CN3CCSC3=S)C2)cc1 ZINC000725785831 651479085 /nfs/dbraw/zinc/47/90/85/651479085.db2.gz XPUUPQKGELPWAU-OAHLLOKOSA-N 1 2 399.607 2.277 20 0 GEADLO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CN3CCSC3=S)C2)cc1 ZINC000725785831 651479090 /nfs/dbraw/zinc/47/90/90/651479090.db2.gz XPUUPQKGELPWAU-OAHLLOKOSA-N 1 2 399.607 2.277 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CCO1 ZINC000562574143 651496931 /nfs/dbraw/zinc/49/69/31/651496931.db2.gz JDGHOKVPDHREAD-NSHDSACASA-N 1 2 382.814 2.091 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CCO1 ZINC000562574143 651496938 /nfs/dbraw/zinc/49/69/38/651496938.db2.gz JDGHOKVPDHREAD-NSHDSACASA-N 1 2 382.814 2.091 20 0 GEADLO CC(C)N1C(=O)CN(C[N@H+](C)CCOc2ccc(Br)cc2)C1=O ZINC000726584116 651497562 /nfs/dbraw/zinc/49/75/62/651497562.db2.gz VNUZPPYKRVJUDD-UHFFFAOYSA-N 1 2 384.274 2.390 20 0 GEADLO CC(C)N1C(=O)CN(C[N@@H+](C)CCOc2ccc(Br)cc2)C1=O ZINC000726584116 651497565 /nfs/dbraw/zinc/49/75/65/651497565.db2.gz VNUZPPYKRVJUDD-UHFFFAOYSA-N 1 2 384.274 2.390 20 0 GEADLO O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc2[nH+]ccn2c1 ZINC000603885387 651501576 /nfs/dbraw/zinc/50/15/76/651501576.db2.gz SFEBQJBITMKHSH-UHFFFAOYSA-N 1 2 398.220 2.445 20 0 GEADLO O=C(CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)Nc1ccc(Br)cc1 ZINC000563203385 651516013 /nfs/dbraw/zinc/51/60/13/651516013.db2.gz XYBJMXMWASJVOB-GFCCVEGCSA-N 1 2 391.269 2.353 20 0 GEADLO S=C(NC1CCOCC1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000727782805 651529381 /nfs/dbraw/zinc/52/93/81/651529381.db2.gz QCZUKCKWUIBDSD-UHFFFAOYSA-N 1 2 383.945 2.390 20 0 GEADLO CC[N@H+](CCOC)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000727819763 651530127 /nfs/dbraw/zinc/53/01/27/651530127.db2.gz KGHAHNKQNUJDAM-CQSZACIVSA-N 1 2 390.303 2.203 20 0 GEADLO CC[N@@H+](CCOC)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000727819763 651530132 /nfs/dbraw/zinc/53/01/32/651530132.db2.gz KGHAHNKQNUJDAM-CQSZACIVSA-N 1 2 390.303 2.203 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CSc2ccccc21 ZINC000605171977 651530956 /nfs/dbraw/zinc/53/09/56/651530956.db2.gz BHHBOSFFCUTCAR-CRAIPNDOSA-N 1 2 379.551 2.341 20 0 GEADLO O=C(/C=C\c1ccc(Br)o1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000728538931 651545397 /nfs/dbraw/zinc/54/53/97/651545397.db2.gz KRWSJSJBZIJFIL-RQOWECAXSA-N 1 2 395.257 2.223 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1cc(Br)ccc1F ZINC000606043184 651548579 /nfs/dbraw/zinc/54/85/79/651548579.db2.gz NSEZDZRDXGPTOC-UHFFFAOYSA-N 1 2 383.221 2.320 20 0 GEADLO O=C(Cc1noc2ccc(Br)cc21)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000644737016 651565781 /nfs/dbraw/zinc/56/57/81/651565781.db2.gz DAIYTMJKKVAGJH-BETUJISGSA-N 1 2 394.269 2.112 20 0 GEADLO O=C(Cc1noc2ccc(Br)cc21)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000644737016 651565787 /nfs/dbraw/zinc/56/57/87/651565787.db2.gz DAIYTMJKKVAGJH-BETUJISGSA-N 1 2 394.269 2.112 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644783473 651569012 /nfs/dbraw/zinc/56/90/12/651569012.db2.gz QCBZRUUCYSHOFQ-CYBMUJFWSA-N 1 2 396.336 2.490 20 0 GEADLO CCc1ncc(S(=O)(=O)N(CCn2cc[nH+]c2)C2CCSCC2)s1 ZINC000565234042 651589925 /nfs/dbraw/zinc/58/99/25/651589925.db2.gz QAJRNDBJBVHRSR-UHFFFAOYSA-N 1 2 386.568 2.489 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N(C)CCc2ccc(Br)cc2)CCO1 ZINC000730125139 651591177 /nfs/dbraw/zinc/59/11/77/651591177.db2.gz MCEVWNIHGBDUJR-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)CCc2ccc(Br)cc2)CCO1 ZINC000730125139 651591182 /nfs/dbraw/zinc/59/11/82/651591182.db2.gz MCEVWNIHGBDUJR-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO Cc1cc(CC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)n(C)n1 ZINC000565651177 651595909 /nfs/dbraw/zinc/59/59/09/651595909.db2.gz MEUANWPNFMREMG-UHFFFAOYSA-N 1 2 390.285 2.349 20 0 GEADLO Cc1cc(C)c(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c[nH+]1 ZINC000567327861 651621991 /nfs/dbraw/zinc/62/19/91/651621991.db2.gz PLUOMKAWGUNADJ-UHFFFAOYSA-N 1 2 387.914 2.350 20 0 GEADLO Cc1ccc(C[C@H](CO)CNC(=O)Cc2c[nH+]cn2C)cc1Br ZINC000567563480 651626057 /nfs/dbraw/zinc/62/60/57/651626057.db2.gz IVJUAFOUQSUKHI-AWEZNQCLSA-N 1 2 380.286 2.001 20 0 GEADLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000609770780 651631124 /nfs/dbraw/zinc/63/11/24/651631124.db2.gz BOMOGIRBGHBAPA-NSRYLSIASA-N 1 2 381.270 2.216 20 0 GEADLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000609770780 651631130 /nfs/dbraw/zinc/63/11/30/651631130.db2.gz BOMOGIRBGHBAPA-NSRYLSIASA-N 1 2 381.270 2.216 20 0 GEADLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000567640628 651631838 /nfs/dbraw/zinc/63/18/38/651631838.db2.gz CFUYGBXNMGTVEG-GFCCVEGCSA-N 1 2 378.270 2.457 20 0 GEADLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000567640628 651631840 /nfs/dbraw/zinc/63/18/40/651631840.db2.gz CFUYGBXNMGTVEG-GFCCVEGCSA-N 1 2 378.270 2.457 20 0 GEADLO COC(=O)CN(CCc1ccc(Cl)cc1Cl)CC[NH+]1CCOCC1 ZINC000609895338 651635350 /nfs/dbraw/zinc/63/53/50/651635350.db2.gz HBUAQBHHGXDHAH-UHFFFAOYSA-N 1 2 375.296 2.343 20 0 GEADLO CO[C@H](CS(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000645681526 651636367 /nfs/dbraw/zinc/63/63/67/651636367.db2.gz UNUTYSPGSABATC-QZTJIDSGSA-N 1 2 386.583 2.194 20 0 GEADLO CO[C@H](CS(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(C)C ZINC000645681526 651636370 /nfs/dbraw/zinc/63/63/70/651636370.db2.gz UNUTYSPGSABATC-QZTJIDSGSA-N 1 2 386.583 2.194 20 0 GEADLO C[C@H](CC(=O)N1CCN(c2ccc(Br)cn2)CC1)n1cc[nH+]c1 ZINC000567997093 651643425 /nfs/dbraw/zinc/64/34/25/651643425.db2.gz ABIRIZPFWKVQHH-CYBMUJFWSA-N 1 2 378.274 2.341 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000732464485 651658292 /nfs/dbraw/zinc/65/82/92/651658292.db2.gz CFIPKJCXJPEQKY-IAQYHMDHSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000732464485 651658297 /nfs/dbraw/zinc/65/82/97/651658297.db2.gz CFIPKJCXJPEQKY-IAQYHMDHSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H](NC(=O)NCc1ccc(Br)cc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000732467274 651658316 /nfs/dbraw/zinc/65/83/16/651658316.db2.gz VXLOBPZZCPIKMG-VXGBXAGGSA-N 1 2 388.281 2.497 20 0 GEADLO Cn1cc(Br)c(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)n1 ZINC000646058004 651677673 /nfs/dbraw/zinc/67/76/73/651677673.db2.gz VYMCXWSQLDPLHI-AWEZNQCLSA-N 1 2 377.286 2.321 20 0 GEADLO Cn1cc(Br)c(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)n1 ZINC000646058004 651677677 /nfs/dbraw/zinc/67/76/77/651677677.db2.gz VYMCXWSQLDPLHI-AWEZNQCLSA-N 1 2 377.286 2.321 20 0 GEADLO COc1cc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc(Cl)c1OC ZINC000568732407 651677699 /nfs/dbraw/zinc/67/76/99/651677699.db2.gz SUYSPBYXCLWRBI-UHFFFAOYSA-N 1 2 388.917 2.357 20 0 GEADLO C[C@H](CC(=O)N(C)CC(=O)Nc1ccc(Br)cn1)n1cc[nH+]c1 ZINC000568889269 651687429 /nfs/dbraw/zinc/68/74/29/651687429.db2.gz QLFUGFKUPWDJRK-LLVKDONJSA-N 1 2 380.246 2.089 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000646339548 651689504 /nfs/dbraw/zinc/68/95/04/651689504.db2.gz UZGRQGCMGWHNPJ-AWEZNQCLSA-N 1 2 379.258 2.190 20 0 GEADLO CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)c2cccs2)CC1 ZINC000646572137 651702553 /nfs/dbraw/zinc/70/25/53/651702553.db2.gz WSYQBNDNTVCYSS-CVEARBPZSA-N 1 2 384.567 2.462 20 0 GEADLO CN(C(=O)[C@@H]1CSCN1C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC1 ZINC000569234830 651703612 /nfs/dbraw/zinc/70/36/12/651703612.db2.gz LYWXPDRVSBEKKU-HOTGVXAUSA-N 1 2 381.929 2.465 20 0 GEADLO COC(=O)[C@H]1CC12CC[NH+](CN1C(=S)N=NC1Cc1cccs1)CC2 ZINC000733791866 651723772 /nfs/dbraw/zinc/72/37/72/651723772.db2.gz FWVKGVDICBKGBO-CYBMUJFWSA-N 1 2 378.523 2.452 20 0 GEADLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000611575620 651729797 /nfs/dbraw/zinc/72/97/97/651729797.db2.gz SMWAJFUTBMGTOP-CQSZACIVSA-N 1 2 394.269 2.375 20 0 GEADLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000611575620 651729802 /nfs/dbraw/zinc/72/98/02/651729802.db2.gz SMWAJFUTBMGTOP-CQSZACIVSA-N 1 2 394.269 2.375 20 0 GEADLO NC(=O)[C@@H]1CC[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000569903825 651732252 /nfs/dbraw/zinc/73/22/52/651732252.db2.gz JIQFKBOPALHGEB-KBMXLJTQSA-N 1 2 394.313 2.356 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000647298857 651742820 /nfs/dbraw/zinc/74/28/20/651742820.db2.gz XHXSXHFUTYEWGM-SNVBAGLBSA-N 1 2 387.221 2.124 20 0 GEADLO Cc1cc(Br)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)s1 ZINC000647298784 651742845 /nfs/dbraw/zinc/74/28/45/651742845.db2.gz DZGFLQJIIPRCHO-MRVPVSSYSA-N 1 2 375.260 2.047 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000570098518 651746890 /nfs/dbraw/zinc/74/68/90/651746890.db2.gz DFCFDNRKKXQISY-VIFPVBQESA-N 1 2 394.686 2.110 20 0 GEADLO CCOC(=O)c1sc(C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)nc1C ZINC000612794842 651770621 /nfs/dbraw/zinc/77/06/21/651770621.db2.gz ABLACOQXIWVRAJ-CYBMUJFWSA-N 1 2 381.885 2.468 20 0 GEADLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000648358496 651782423 /nfs/dbraw/zinc/78/24/23/651782423.db2.gz KYMVHAGSUQNGOD-MRXNPFEDSA-N 1 2 379.551 2.442 20 0 GEADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000648358496 651782427 /nfs/dbraw/zinc/78/24/27/651782427.db2.gz KYMVHAGSUQNGOD-MRXNPFEDSA-N 1 2 379.551 2.442 20 0 GEADLO C[C@@H]1CSCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000570717217 651786206 /nfs/dbraw/zinc/78/62/06/651786206.db2.gz UNGCAASJPAQBQL-KCXAZCMYSA-N 1 2 381.929 2.165 20 0 GEADLO C[C@@H]1CSCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000570717217 651786211 /nfs/dbraw/zinc/78/62/11/651786211.db2.gz UNGCAASJPAQBQL-KCXAZCMYSA-N 1 2 381.929 2.165 20 0 GEADLO C[NH+](C)[C@@H](C(=O)N1CSC[C@H]1C(=O)NCC1CC1)c1ccc(Cl)cc1 ZINC000570736841 651787626 /nfs/dbraw/zinc/78/76/26/651787626.db2.gz OKDPCPXSRRRTDN-JKSUJKDBSA-N 1 2 381.929 2.370 20 0 GEADLO C[NH+](C)[C@H](C(=O)N1CSC[C@H]1C(=O)NCC1CC1)c1ccc(Cl)cc1 ZINC000570736837 651787858 /nfs/dbraw/zinc/78/78/58/651787858.db2.gz OKDPCPXSRRRTDN-HOTGVXAUSA-N 1 2 381.929 2.370 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CC1 ZINC000613669898 651791166 /nfs/dbraw/zinc/79/11/66/651791166.db2.gz BUIWYNGEBWUBSF-LBPRGKRZSA-N 1 2 394.269 2.243 20 0 GEADLO O=S1(=O)C[C@H](C[NH2+]Cc2ncc(C(F)(F)F)s2)Oc2ccccc21 ZINC000570800770 651792500 /nfs/dbraw/zinc/79/25/00/651792500.db2.gz ZRCISJBUFPXPLE-VIFPVBQESA-N 1 2 378.397 2.486 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2-n2cc(Br)cn2)CCO1 ZINC000570896925 651798421 /nfs/dbraw/zinc/79/84/21/651798421.db2.gz IXUICYPXYASSKF-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2-n2cc(Br)cn2)CCO1 ZINC000570896925 651798424 /nfs/dbraw/zinc/79/84/24/651798424.db2.gz IXUICYPXYASSKF-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO Cn1[nH]c([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(Cl)c(Cl)c2)nc1=N ZINC000649540612 651830014 /nfs/dbraw/zinc/83/00/14/651830014.db2.gz MICHQXXSSRMDMO-HZMBPMFUSA-N 1 2 386.283 2.111 20 0 GEADLO Cn1[nH]c([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(Cl)c(Cl)c2)nc1=N ZINC000649540612 651830017 /nfs/dbraw/zinc/83/00/17/651830017.db2.gz MICHQXXSSRMDMO-HZMBPMFUSA-N 1 2 386.283 2.111 20 0 GEADLO Cn1cc(Br)c(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)n1 ZINC000614670691 651831672 /nfs/dbraw/zinc/83/16/72/651831672.db2.gz XIDXVYOXTJURAN-UHFFFAOYSA-N 1 2 398.330 2.417 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1nn(C(C)(C)C)cc1Br ZINC000614718187 651834568 /nfs/dbraw/zinc/83/45/68/651834568.db2.gz QIEKFKIVJFKWNB-OLZOCXBDSA-N 1 2 399.333 2.336 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC2(CC2(F)F)CC1 ZINC000650728718 651865025 /nfs/dbraw/zinc/86/50/25/651865025.db2.gz ODCKWEHSLHLHSY-MRXNPFEDSA-N 1 2 375.485 2.025 20 0 GEADLO O=C([C@H]1COc2ccc(Br)cc21)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615545897 651866726 /nfs/dbraw/zinc/86/67/26/651866726.db2.gz XSFJTQYASQVEMS-HOCLYGCPSA-N 1 2 395.297 2.248 20 0 GEADLO Cc1cc(Br)sc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000651652569 651893834 /nfs/dbraw/zinc/89/38/34/651893834.db2.gz JMHDVVODKCWYNM-SECBINFHSA-N 1 2 376.301 2.309 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(Br)cc2c1OCCO2 ZINC000616287337 651894336 /nfs/dbraw/zinc/89/43/36/651894336.db2.gz WYZYSLXSOKQIPC-UHFFFAOYSA-N 1 2 399.285 2.061 20 0 GEADLO CS(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000738392067 651895305 /nfs/dbraw/zinc/89/53/05/651895305.db2.gz WVXFVXCWSHTBIW-UHFFFAOYSA-N 1 2 378.431 2.044 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2cccc(Br)c2)C(C)(C)C1 ZINC000651901486 651900224 /nfs/dbraw/zinc/90/02/24/651900224.db2.gz NUHMOUQJFXUGNW-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2cccc(Br)c2)C(C)(C)C1 ZINC000651901486 651900229 /nfs/dbraw/zinc/90/02/29/651900229.db2.gz NUHMOUQJFXUGNW-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000653346964 651941332 /nfs/dbraw/zinc/94/13/32/651941332.db2.gz NSIKMCUTUDGLER-SMDDNHRTSA-N 1 2 380.495 2.400 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000573217509 651941819 /nfs/dbraw/zinc/94/18/19/651941819.db2.gz IDWNNNGWYHZCQI-SNVBAGLBSA-N 1 2 380.242 2.438 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000573217509 651941828 /nfs/dbraw/zinc/94/18/28/651941828.db2.gz IDWNNNGWYHZCQI-SNVBAGLBSA-N 1 2 380.242 2.438 20 0 GEADLO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000741256384 651942433 /nfs/dbraw/zinc/94/24/33/651942433.db2.gz QYVDEBDHVBFFRW-IAGOWNOFSA-N 1 2 387.929 2.366 20 0 GEADLO C[C@H]1CCc2c(sc3ncnc(N4CC[NH+](CC[S@](C)=O)CC4)c23)C1 ZINC000741750699 651957758 /nfs/dbraw/zinc/95/77/58/651957758.db2.gz YDFFUSZSZPSXQB-CANCMXDXSA-N 1 2 378.567 2.317 20 0 GEADLO CC(C)NC(=O)CNC(=S)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000741873157 651960303 /nfs/dbraw/zinc/96/03/03/651960303.db2.gz CDVPQNFITXLFKU-CQSZACIVSA-N 1 2 382.961 2.418 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)[C@H](C)CO1 ZINC000617735690 651969168 /nfs/dbraw/zinc/96/91/68/651969168.db2.gz SQMVEEMOEFYERG-VXGBXAGGSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)[C@H](C)CO1 ZINC000617735690 651969174 /nfs/dbraw/zinc/96/91/74/651969174.db2.gz SQMVEEMOEFYERG-VXGBXAGGSA-N 1 2 399.285 2.059 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000742284603 651973121 /nfs/dbraw/zinc/97/31/21/651973121.db2.gz SUMMRUVRDSEUJE-UHFFFAOYSA-N 1 2 377.447 2.199 20 0 GEADLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C1(S(C)(=O)=O)CC1 ZINC000573731827 651976293 /nfs/dbraw/zinc/97/62/93/651976293.db2.gz MTCBATUAAJGIEE-LLVKDONJSA-N 1 2 399.314 2.085 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(F)c1Cl ZINC000655633389 652001625 /nfs/dbraw/zinc/00/16/25/652001625.db2.gz NZMVUUFDRKHGHY-AOOOYVTPSA-N 1 2 395.859 2.195 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000655678384 652007185 /nfs/dbraw/zinc/00/71/85/652007185.db2.gz UVGSAQVOICKWGA-CQSZACIVSA-N 1 2 388.917 2.224 20 0 GEADLO CC1=CC[N@H+](CCNC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 ZINC000574406817 652019490 /nfs/dbraw/zinc/01/94/90/652019490.db2.gz VUFWSWFAILVFQY-ZFWWWQNUSA-N 1 2 383.539 2.306 20 0 GEADLO CC1=CC[N@@H+](CCNC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 ZINC000574406817 652019497 /nfs/dbraw/zinc/01/94/97/652019497.db2.gz VUFWSWFAILVFQY-ZFWWWQNUSA-N 1 2 383.539 2.306 20 0 GEADLO Cc1c[nH+]c(CCNc2ncc(Br)cc2S(N)(=O)=O)c(C)c1 ZINC000656210647 652026050 /nfs/dbraw/zinc/02/60/50/652026050.db2.gz CJVCEURKWQCNHR-UHFFFAOYSA-N 1 2 385.287 2.158 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCOc3cccc(Br)c3C2)nc[nH+]1 ZINC000656222704 652027415 /nfs/dbraw/zinc/02/74/15/652027415.db2.gz VAAXJMJBPDVMOF-LLVKDONJSA-N 1 2 379.258 2.431 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCOc3cccc(Br)c3C2)[nH+]cn1 ZINC000656222704 652027422 /nfs/dbraw/zinc/02/74/22/652027422.db2.gz VAAXJMJBPDVMOF-LLVKDONJSA-N 1 2 379.258 2.431 20 0 GEADLO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000656254501 652028750 /nfs/dbraw/zinc/02/87/50/652028750.db2.gz HJLALWPWAWJNNA-CQSZACIVSA-N 1 2 390.285 2.153 20 0 GEADLO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000656254501 652028757 /nfs/dbraw/zinc/02/87/57/652028757.db2.gz HJLALWPWAWJNNA-CQSZACIVSA-N 1 2 390.285 2.153 20 0 GEADLO NC(=O)c1csc(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)n1 ZINC000656714225 652047619 /nfs/dbraw/zinc/04/76/19/652047619.db2.gz GRDGVBQPBJYNBO-SECBINFHSA-N 1 2 376.265 2.078 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1cscc1Br ZINC000575145194 652065139 /nfs/dbraw/zinc/06/51/39/652065139.db2.gz LGOSHXZHQHYESX-UHFFFAOYSA-N 1 2 389.315 2.122 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)c2ncccc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000656934644 652067520 /nfs/dbraw/zinc/06/75/20/652067520.db2.gz KDAOBHDLDJQFHI-YPMHNXCESA-N 1 2 385.287 2.312 20 0 GEADLO O=S(=O)(CCc1ccccc1Cl)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000656936343 652067831 /nfs/dbraw/zinc/06/78/31/652067831.db2.gz KAPSBROWKJVDOB-QZTJIDSGSA-N 1 2 386.945 2.445 20 0 GEADLO Cn1c[nH+]c(CCNS(=O)(=O)c2cc(Cl)cc(Br)c2)c1 ZINC000657009751 652086154 /nfs/dbraw/zinc/08/61/54/652086154.db2.gz UVKHWYUOFRYIDD-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746321016 652099865 /nfs/dbraw/zinc/09/98/65/652099865.db2.gz LNWMXILVCJWLJV-GXTWGEPZSA-N 1 2 377.501 2.122 20 0 GEADLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746321016 652099869 /nfs/dbraw/zinc/09/98/69/652099869.db2.gz LNWMXILVCJWLJV-GXTWGEPZSA-N 1 2 377.501 2.122 20 0 GEADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746470785 652109152 /nfs/dbraw/zinc/10/91/52/652109152.db2.gz XMJIJULTIUIPKN-YMXBGEKHSA-N 1 2 382.917 2.447 20 0 GEADLO CSc1ccc(OC[C@H](O)C[NH2+]Cc2nn(C)cc2Br)cc1 ZINC000576391889 652113093 /nfs/dbraw/zinc/11/30/93/652113093.db2.gz ZTXLDWNEPGIBBA-LLVKDONJSA-N 1 2 386.315 2.434 20 0 GEADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000621253480 652137927 /nfs/dbraw/zinc/13/79/27/652137927.db2.gz HYUSDDJUEZBZLE-ZDUSSCGKSA-N 1 2 377.304 2.144 20 0 GEADLO CNS(=O)(=O)CC[N@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000621253480 652137949 /nfs/dbraw/zinc/13/79/49/652137949.db2.gz HYUSDDJUEZBZLE-ZDUSSCGKSA-N 1 2 377.304 2.144 20 0 GEADLO COc1ccc(CNC(=O)C[NH2+]Cc2c(F)cncc2Br)cc1 ZINC000657331289 652161136 /nfs/dbraw/zinc/16/11/36/652161136.db2.gz XBEOBUIXCMMBBG-UHFFFAOYSA-N 1 2 382.233 2.398 20 0 GEADLO Cc1csc([C@@](O)(CC(=O)NC[C@H](C)Cn2cc[nH+]c2)C(F)(F)F)n1 ZINC000747400923 652162216 /nfs/dbraw/zinc/16/22/16/652162216.db2.gz PTLUZLSRJHTWCG-HZMBPMFUSA-N 1 2 376.404 2.241 20 0 GEADLO C[C@@H](CNC(=O)c1cn(-c2ccccc2Br)nn1)Cn1cc[nH+]c1 ZINC000747401148 652162813 /nfs/dbraw/zinc/16/28/13/652162813.db2.gz RQWWNZLPYBTTEG-LBPRGKRZSA-N 1 2 389.257 2.292 20 0 GEADLO O=S1(=O)CCO[C@H](CNc2cc[nH+]c3cc(F)c(Br)cc23)C1 ZINC000577033927 652164658 /nfs/dbraw/zinc/16/46/58/652164658.db2.gz UQESNMTXYMXNEN-SECBINFHSA-N 1 2 389.246 2.362 20 0 GEADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000657602504 652178683 /nfs/dbraw/zinc/17/86/83/652178683.db2.gz JZMSXXIEYZEWMI-DZGCQCFKSA-N 1 2 378.475 2.458 20 0 GEADLO COC(=O)c1nn(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(C)c1Br ZINC000747833636 652180381 /nfs/dbraw/zinc/18/03/81/652180381.db2.gz YLNMNYHALDNBLD-OLZOCXBDSA-N 1 2 386.290 2.447 20 0 GEADLO COC(=O)c1nn(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(C)c1Br ZINC000747833636 652180388 /nfs/dbraw/zinc/18/03/88/652180388.db2.gz YLNMNYHALDNBLD-OLZOCXBDSA-N 1 2 386.290 2.447 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000657640635 652184428 /nfs/dbraw/zinc/18/44/28/652184428.db2.gz YVSRFZIGSWLICU-WCQYABFASA-N 1 2 379.931 2.189 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000748463360 652203138 /nfs/dbraw/zinc/20/31/38/652203138.db2.gz ZWMPFAFJKLCVFC-BXUZGUMPSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000748463360 652203146 /nfs/dbraw/zinc/20/31/46/652203146.db2.gz ZWMPFAFJKLCVFC-BXUZGUMPSA-N 1 2 385.258 2.040 20 0 GEADLO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623299443 652233458 /nfs/dbraw/zinc/23/34/58/652233458.db2.gz YKSDLHIHCLSLMW-ABAIWWIYSA-N 1 2 376.869 2.471 20 0 GEADLO C[C@@H]1CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@H](C)C1(F)F ZINC000623492694 652241630 /nfs/dbraw/zinc/24/16/30/652241630.db2.gz GWBVFMXNNFLSEE-LZWOXQAQSA-N 1 2 377.501 2.127 20 0 GEADLO Cn1nc(Br)c2c1ncnc2N1CCC([N@H+](C)CC(F)F)CC1 ZINC000749287537 652244062 /nfs/dbraw/zinc/24/40/62/652244062.db2.gz KCSUNHRVEBYYLB-UHFFFAOYSA-N 1 2 389.248 2.292 20 0 GEADLO Cn1nc(Br)c2c1ncnc2N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000749287537 652244070 /nfs/dbraw/zinc/24/40/70/652244070.db2.gz KCSUNHRVEBYYLB-UHFFFAOYSA-N 1 2 389.248 2.292 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)COc2ccsc2Cl)cn1 ZINC000578514339 652275921 /nfs/dbraw/zinc/27/59/21/652275921.db2.gz KIZIJARPRTVIDO-UHFFFAOYSA-N 1 2 379.873 2.439 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)C[C@H](C)O1 ZINC000578777503 652293734 /nfs/dbraw/zinc/29/37/34/652293734.db2.gz LVGZDYCZBPYJMR-KPEUIFRASA-N 1 2 398.345 2.451 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)C[C@H](C)O1 ZINC000578777503 652293738 /nfs/dbraw/zinc/29/37/38/652293738.db2.gz LVGZDYCZBPYJMR-KPEUIFRASA-N 1 2 398.345 2.451 20 0 GEADLO O=C(CCCn1cc[nH+]c1)NCCCNC(=O)c1cccc(Br)c1 ZINC000624928413 652310996 /nfs/dbraw/zinc/31/09/96/652310996.db2.gz KQMWNKLKFCLHCE-UHFFFAOYSA-N 1 2 393.285 2.362 20 0 GEADLO CC(=O)N1CC([NH2+][C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000579251964 652328915 /nfs/dbraw/zinc/32/89/15/652328915.db2.gz OQKLBYHTXLGEFS-JTQLQIEISA-N 1 2 378.274 2.220 20 0 GEADLO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000625328830 652343275 /nfs/dbraw/zinc/34/32/75/652343275.db2.gz ZKTGSKSUNILDLJ-RDJZCZTQSA-N 1 2 381.270 2.194 20 0 GEADLO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000625328830 652343276 /nfs/dbraw/zinc/34/32/76/652343276.db2.gz ZKTGSKSUNILDLJ-RDJZCZTQSA-N 1 2 381.270 2.194 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Cl)N1CCC([NH+]2CCOCC2)CC1 ZINC000625604387 652361100 /nfs/dbraw/zinc/36/11/00/652361100.db2.gz DVZYNMOVLDGMKY-UHFFFAOYSA-N 1 2 379.309 2.479 20 0 GEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C[C@@H]2CSCCS2)CC1 ZINC000751601237 652361204 /nfs/dbraw/zinc/36/12/04/652361204.db2.gz QGWOYMMLDZDNLQ-CQSZACIVSA-N 1 2 379.551 2.251 20 0 GEADLO COc1ccc(C[N@H+](CCO[C@@H]2CC2(F)F)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000659818975 652366774 /nfs/dbraw/zinc/36/67/74/652366774.db2.gz AZMOHUQFUZJXAL-GDBMZVCRSA-N 1 2 375.437 2.109 20 0 GEADLO COc1ccc(C[N@@H+](CCO[C@@H]2CC2(F)F)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000659818975 652366776 /nfs/dbraw/zinc/36/67/76/652366776.db2.gz AZMOHUQFUZJXAL-GDBMZVCRSA-N 1 2 375.437 2.109 20 0 GEADLO COc1ncc(Br)cc1C[N@H+](CCO)CCOCC(F)(F)F ZINC000659923295 652371905 /nfs/dbraw/zinc/37/19/05/652371905.db2.gz POVGEUMZUGJLMO-UHFFFAOYSA-N 1 2 387.196 2.226 20 0 GEADLO COc1ncc(Br)cc1C[N@@H+](CCO)CCOCC(F)(F)F ZINC000659923295 652371909 /nfs/dbraw/zinc/37/19/09/652371909.db2.gz POVGEUMZUGJLMO-UHFFFAOYSA-N 1 2 387.196 2.226 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000626170515 652383819 /nfs/dbraw/zinc/38/38/19/652383819.db2.gz IMKPOFVZVGTUOJ-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000626170515 652383820 /nfs/dbraw/zinc/38/38/20/652383820.db2.gz IMKPOFVZVGTUOJ-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO COc1cccc(SCC[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000660134053 652389583 /nfs/dbraw/zinc/38/95/83/652389583.db2.gz FLYQHGCFCQMIHF-DOTOQJQBSA-N 1 2 385.551 2.455 20 0 GEADLO COc1cccc(SCC[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000660134053 652389585 /nfs/dbraw/zinc/38/95/85/652389585.db2.gz FLYQHGCFCQMIHF-DOTOQJQBSA-N 1 2 385.551 2.455 20 0 GEADLO C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@H](O)c1c(Cl)cccc1Cl ZINC000752949397 652396657 /nfs/dbraw/zinc/39/66/57/652396657.db2.gz GGMCZLZLMBKZNA-WQGACYEGSA-N 1 2 390.311 2.435 20 0 GEADLO C[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)[C@H](O)c1c(Cl)cccc1Cl ZINC000752949397 652396658 /nfs/dbraw/zinc/39/66/58/652396658.db2.gz GGMCZLZLMBKZNA-WQGACYEGSA-N 1 2 390.311 2.435 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1)Nc1ccccc1Br ZINC000580938588 652397257 /nfs/dbraw/zinc/39/72/57/652397257.db2.gz QQVLMGHWXWRNAQ-OAHLLOKOSA-N 1 2 381.270 2.458 20 0 GEADLO O=C(CC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1)Nc1ccccc1Br ZINC000580938588 652397259 /nfs/dbraw/zinc/39/72/59/652397259.db2.gz QQVLMGHWXWRNAQ-OAHLLOKOSA-N 1 2 381.270 2.458 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000660347409 652399174 /nfs/dbraw/zinc/39/91/74/652399174.db2.gz XVHJHVCFGIWIEJ-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO COC(=O)CCC1CC[NH+](Cn2nc(N3CCOCC3)sc2=S)CC1 ZINC000753172964 652401036 /nfs/dbraw/zinc/40/10/36/652401036.db2.gz VPUBJAAHPABTSR-UHFFFAOYSA-N 1 2 386.543 2.133 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2Cl)C1 ZINC000660409008 652401209 /nfs/dbraw/zinc/40/12/09/652401209.db2.gz RMTXSHROJKEMEP-OAHLLOKOSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2Cl)C1 ZINC000660409008 652401210 /nfs/dbraw/zinc/40/12/10/652401210.db2.gz RMTXSHROJKEMEP-OAHLLOKOSA-N 1 2 390.933 2.221 20 0 GEADLO NS(=O)(=O)c1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)co1 ZINC000660461895 652403225 /nfs/dbraw/zinc/40/32/25/652403225.db2.gz OVKGHPVOZBPAKV-LBPRGKRZSA-N 1 2 398.790 2.422 20 0 GEADLO NS(=O)(=O)c1cc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)co1 ZINC000660461893 652403281 /nfs/dbraw/zinc/40/32/81/652403281.db2.gz OVKGHPVOZBPAKV-GFCCVEGCSA-N 1 2 398.790 2.422 20 0 GEADLO C[C@@H](OC[C@H](O)C[NH+]1CCN(c2ncns2)CC1)c1ccc(Cl)cc1 ZINC000660709817 652411335 /nfs/dbraw/zinc/41/13/35/652411335.db2.gz AAGCENQTNQYZSX-CZUORRHYSA-N 1 2 382.917 2.452 20 0 GEADLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)CCOCC(F)(F)F)CC1 ZINC000581337854 652411385 /nfs/dbraw/zinc/41/13/85/652411385.db2.gz CNFZJZQYJUURQB-UHFFFAOYSA-N 1 2 380.432 2.021 20 0 GEADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000660721597 652412202 /nfs/dbraw/zinc/41/22/02/652412202.db2.gz PLFYYHFMDNHFND-JKSUJKDBSA-N 1 2 375.893 2.499 20 0 GEADLO COc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1Br ZINC000627155313 652416339 /nfs/dbraw/zinc/41/63/39/652416339.db2.gz SCYJRMKGRHXIKC-GXTWGEPZSA-N 1 2 383.286 2.393 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2sccc2Br)C1 ZINC000581742195 652424211 /nfs/dbraw/zinc/42/42/11/652424211.db2.gz NMZUNGXFFAZPNT-SNVBAGLBSA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2sccc2Br)C1 ZINC000581742195 652424214 /nfs/dbraw/zinc/42/42/14/652424214.db2.gz NMZUNGXFFAZPNT-SNVBAGLBSA-N 1 2 375.288 2.125 20 0 GEADLO CSc1ccc([C@H](CNC(=O)c2ccc(S(C)(=O)=O)o2)[NH+](C)C)cc1 ZINC000581966197 652429382 /nfs/dbraw/zinc/42/93/82/652429382.db2.gz QTQZAHGBCBPFOR-AWEZNQCLSA-N 1 2 382.507 2.438 20 0 GEADLO C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(Br)cn1 ZINC000581978803 652429906 /nfs/dbraw/zinc/42/99/06/652429906.db2.gz AXESNKSKNQREPV-SNVBAGLBSA-N 1 2 388.225 2.308 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@@H]1COCCO1 ZINC000661609195 652435364 /nfs/dbraw/zinc/43/53/64/652435364.db2.gz NRSLYXWEPUBCIR-LLVKDONJSA-N 1 2 377.666 2.388 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@@H]1COCCO1 ZINC000661609195 652435365 /nfs/dbraw/zinc/43/53/65/652435365.db2.gz NRSLYXWEPUBCIR-LLVKDONJSA-N 1 2 377.666 2.388 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cccc[n+]3[O-])[nH+]c12 ZINC000754513845 652437894 /nfs/dbraw/zinc/43/78/94/652437894.db2.gz ILNWMNFJJAEMAT-UHFFFAOYSA-N 1 2 375.226 2.011 20 0 GEADLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@]1(C)CO ZINC000662140231 652448554 /nfs/dbraw/zinc/44/85/54/652448554.db2.gz URIJANOJAISGER-SWLSCSKDSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@]1(C)CO ZINC000662140231 652448556 /nfs/dbraw/zinc/44/85/56/652448556.db2.gz URIJANOJAISGER-SWLSCSKDSA-N 1 2 376.316 2.173 20 0 GEADLO Cc1ccc(S(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cn1 ZINC000582466394 652451636 /nfs/dbraw/zinc/45/16/36/652451636.db2.gz MIJRYSHDHFFCCW-KRWDZBQOSA-N 1 2 377.535 2.286 20 0 GEADLO Cc1ccc(S(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cn1 ZINC000582466394 652451640 /nfs/dbraw/zinc/45/16/40/652451640.db2.gz MIJRYSHDHFFCCW-KRWDZBQOSA-N 1 2 377.535 2.286 20 0 GEADLO C[N@H+](CCN1CCCS1(=O)=O)Cc1cccc(F)c1OCC(F)(F)F ZINC000628189138 652454494 /nfs/dbraw/zinc/45/44/94/652454494.db2.gz RZLZCQLYGQQPSJ-UHFFFAOYSA-N 1 2 384.395 2.234 20 0 GEADLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cccc(F)c1OCC(F)(F)F ZINC000628189138 652454498 /nfs/dbraw/zinc/45/44/98/652454498.db2.gz RZLZCQLYGQQPSJ-UHFFFAOYSA-N 1 2 384.395 2.234 20 0 GEADLO O=C(c1cccc(I)c1O)N1CC[NH+](CC2CC2)CC1 ZINC000755093283 652456536 /nfs/dbraw/zinc/45/65/36/652456536.db2.gz SQHZOTFKZBTYRB-UHFFFAOYSA-N 1 2 386.233 2.165 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc(Cl)cc1Cl ZINC000628578822 652463533 /nfs/dbraw/zinc/46/35/33/652463533.db2.gz MFINRTSURUBCJT-GOSISDBHSA-N 1 2 387.307 2.268 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc(Cl)cc1Cl ZINC000628578822 652463538 /nfs/dbraw/zinc/46/35/38/652463538.db2.gz MFINRTSURUBCJT-GOSISDBHSA-N 1 2 387.307 2.268 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000582861382 652464592 /nfs/dbraw/zinc/46/45/92/652464592.db2.gz MGAUNAXWSMISCE-MRXNPFEDSA-N 1 2 382.917 2.497 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000582861381 652464653 /nfs/dbraw/zinc/46/46/53/652464653.db2.gz MGAUNAXWSMISCE-INIZCTEOSA-N 1 2 382.917 2.497 20 0 GEADLO C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968563 652476319 /nfs/dbraw/zinc/47/63/19/652476319.db2.gz HTRPMPKFDKVKCY-HZMBPMFUSA-N 1 2 381.325 2.393 20 0 GEADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000583279890 652480101 /nfs/dbraw/zinc/48/01/01/652480101.db2.gz UEQTVGVXPPNYSU-LBPRGKRZSA-N 1 2 380.279 2.496 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755951018 652481745 /nfs/dbraw/zinc/48/17/45/652481745.db2.gz ZIRMBQXTKYFNSV-OIRASMEMSA-N 1 2 392.352 2.317 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2csc(COc3ccccc3)n2)CC1 ZINC000755952247 652482191 /nfs/dbraw/zinc/48/21/91/652482191.db2.gz IQUXXZONQNWJIU-VWLOTQADSA-N 1 2 379.551 2.218 20 0 GEADLO COC(=O)c1sc2ccccc2c1CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755959795 652482413 /nfs/dbraw/zinc/48/24/13/652482413.db2.gz VDKPEJANBUDMEU-RUZDIDTESA-N 1 2 380.535 2.184 20 0 GEADLO COc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2CSCCS2)CC1 ZINC000756062543 652486677 /nfs/dbraw/zinc/48/66/77/652486677.db2.gz YKVBOFQEOOZVRQ-MRXNPFEDSA-N 1 2 381.567 2.371 20 0 GEADLO O=C(NC[C@H]1CSCCS1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000756062540 652486733 /nfs/dbraw/zinc/48/67/33/652486733.db2.gz YJQNSISNVRGRHQ-KRWDZBQOSA-N 1 2 381.567 2.241 20 0 GEADLO Cc1nc(NCc2ccc(S(N)(=O)=O)s2)c(Br)c(C)[nH+]1 ZINC000663333585 652494435 /nfs/dbraw/zinc/49/44/35/652494435.db2.gz HQVBRMVQGHQHFC-UHFFFAOYSA-N 1 2 377.289 2.177 20 0 GEADLO Cc1nc(NCCNS(=O)(=O)c2ccccc2)c(Br)c(C)[nH+]1 ZINC000663381646 652496128 /nfs/dbraw/zinc/49/61/28/652496128.db2.gz TZQVSQDCUBEUFU-UHFFFAOYSA-N 1 2 385.287 2.246 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCCNc2ncc(Cl)cc2Cl)[C@@H](C)CO1 ZINC000663673337 652508058 /nfs/dbraw/zinc/50/80/58/652508058.db2.gz ZWVJJXSWGGLOTN-RYUDHWBXSA-N 1 2 390.315 2.209 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCNc2ncc(Cl)cc2Cl)[C@@H](C)CO1 ZINC000663673337 652508059 /nfs/dbraw/zinc/50/80/59/652508059.db2.gz ZWVJJXSWGGLOTN-RYUDHWBXSA-N 1 2 390.315 2.209 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000584122259 652510421 /nfs/dbraw/zinc/51/04/21/652510421.db2.gz MHLSGKBDYRXIDD-JSGCOSHPSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000584122259 652510425 /nfs/dbraw/zinc/51/04/25/652510425.db2.gz MHLSGKBDYRXIDD-JSGCOSHPSA-N 1 2 380.286 2.318 20 0 GEADLO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000584386731 652519164 /nfs/dbraw/zinc/51/91/64/652519164.db2.gz ZTPUSMCBDVJXSB-SMDDNHRTSA-N 1 2 397.248 2.132 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000584411999 652520098 /nfs/dbraw/zinc/52/00/98/652520098.db2.gz KHHZBKKLFDWHQS-GFCCVEGCSA-N 1 2 391.269 2.271 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1cn(-c2ccccc2Br)nn1 ZINC000584501629 652523328 /nfs/dbraw/zinc/52/33/28/652523328.db2.gz MHQNOQVJKVAZQC-CQSZACIVSA-N 1 2 394.317 2.182 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCCc2nc(C(F)(F)F)cs2)[C@@H](C)CO1 ZINC000664266253 652524538 /nfs/dbraw/zinc/52/45/38/652524538.db2.gz FBIXNPPDGHKJOP-QWRGUYRKSA-N 1 2 380.436 2.113 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCc2nc(C(F)(F)F)cs2)[C@@H](C)CO1 ZINC000664266253 652524543 /nfs/dbraw/zinc/52/45/43/652524543.db2.gz FBIXNPPDGHKJOP-QWRGUYRKSA-N 1 2 380.436 2.113 20 0 GEADLO Cc1nnc(CN(C)c2nc(N(C)Cc3nnc(C)s3)c(C)c[nH+]2)s1 ZINC000664637661 652533643 /nfs/dbraw/zinc/53/36/43/652533643.db2.gz RUKFCVIDFVFAPJ-UHFFFAOYSA-N 1 2 376.515 2.378 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@H]2CCC(F)(F)C2)C[C@H](C)O1 ZINC000631797674 652534630 /nfs/dbraw/zinc/53/46/30/652534630.db2.gz DNYPPTGEMONMEW-FZKCQIBNSA-N 1 2 380.501 2.325 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@H]2CCC(F)(F)C2)C[C@H](C)O1 ZINC000631797674 652534635 /nfs/dbraw/zinc/53/46/35/652534635.db2.gz DNYPPTGEMONMEW-FZKCQIBNSA-N 1 2 380.501 2.325 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000758338839 652537859 /nfs/dbraw/zinc/53/78/59/652537859.db2.gz SOLYYKZNKIDYKE-BLLLJJGKSA-N 1 2 390.311 2.437 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cccnc1I ZINC000758355594 652538176 /nfs/dbraw/zinc/53/81/76/652538176.db2.gz XWTFHFWYYLYGOD-UHFFFAOYSA-N 1 2 378.173 2.264 20 0 GEADLO C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(Br)cn1 ZINC000664791329 652539032 /nfs/dbraw/zinc/53/90/32/652539032.db2.gz GGYVPTNDKJHAJT-UPJWGTAASA-N 1 2 385.306 2.314 20 0 GEADLO C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(Br)cn1 ZINC000664791329 652539039 /nfs/dbraw/zinc/53/90/39/652539039.db2.gz GGYVPTNDKJHAJT-UPJWGTAASA-N 1 2 385.306 2.314 20 0 GEADLO CC(C)[C@H]([NH2+]Cc1ncc(I)s1)C(=O)N1CCCC1 ZINC000586777041 652541343 /nfs/dbraw/zinc/54/13/43/652541343.db2.gz DBIPYTNIEOTMLS-LBPRGKRZSA-N 1 2 393.294 2.484 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)c3conc3C)CC2)cs1 ZINC000631943442 652543126 /nfs/dbraw/zinc/54/31/26/652543126.db2.gz WPTQYLOSPOKQSG-UHFFFAOYSA-N 1 2 384.527 2.192 20 0 GEADLO Cc1nonc1CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000758695948 652552463 /nfs/dbraw/zinc/55/24/63/652552463.db2.gz QKQFSWWOUAVILU-UHFFFAOYSA-N 1 2 393.245 2.139 20 0 GEADLO COc1ccc(Br)c(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000665920976 652562245 /nfs/dbraw/zinc/56/22/45/652562245.db2.gz URHCPTCEKMPJFQ-GFCCVEGCSA-N 1 2 384.274 2.396 20 0 GEADLO O=C(c1cc(Br)c2nccn2c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000633250640 652589689 /nfs/dbraw/zinc/58/96/89/652589689.db2.gz LQTGIMJIWDNSCD-AWEZNQCLSA-N 1 2 393.285 2.034 20 0 GEADLO Cn1cc(Cl)c(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)n1 ZINC000633279526 652591062 /nfs/dbraw/zinc/59/10/62/652591062.db2.gz ZIBVXNACFMUYGB-UHFFFAOYSA-N 1 2 380.905 2.021 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000592205826 652591500 /nfs/dbraw/zinc/59/15/00/652591500.db2.gz XTCPIOXLXOLEAO-KOLCDFICSA-N 1 2 386.235 2.399 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000592205826 652591503 /nfs/dbraw/zinc/59/15/03/652591503.db2.gz XTCPIOXLXOLEAO-KOLCDFICSA-N 1 2 386.235 2.399 20 0 GEADLO COCC[N@H+](CCO)Cc1cc(Br)c(O)c(Br)c1 ZINC000667590532 652614311 /nfs/dbraw/zinc/61/43/11/652614311.db2.gz YHWQHXCGBGVRBB-UHFFFAOYSA-N 1 2 383.080 2.358 20 0 GEADLO COCC[N@@H+](CCO)Cc1cc(Br)c(O)c(Br)c1 ZINC000667590532 652614313 /nfs/dbraw/zinc/61/43/13/652614313.db2.gz YHWQHXCGBGVRBB-UHFFFAOYSA-N 1 2 383.080 2.358 20 0 GEADLO OCCC[N@H+](CCO)Cc1cc(Br)c(O)c(Br)c1 ZINC000667619078 652615600 /nfs/dbraw/zinc/61/56/00/652615600.db2.gz RRUPHNIBGIQCPO-UHFFFAOYSA-N 1 2 383.080 2.094 20 0 GEADLO OCCC[N@@H+](CCO)Cc1cc(Br)c(O)c(Br)c1 ZINC000667619078 652615601 /nfs/dbraw/zinc/61/56/01/652615601.db2.gz RRUPHNIBGIQCPO-UHFFFAOYSA-N 1 2 383.080 2.094 20 0 GEADLO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593306023 652616347 /nfs/dbraw/zinc/61/63/47/652616347.db2.gz QVVXPVZNPYKAMY-YIUJLJBFSA-N 1 2 381.929 2.392 20 0 GEADLO CC(C)(C)n1cc(Br)c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000667825688 652620961 /nfs/dbraw/zinc/62/09/61/652620961.db2.gz FKDAKRQEJYNHNW-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO CC(C)(C)n1cc(Br)c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)n1 ZINC000667825688 652620962 /nfs/dbraw/zinc/62/09/62/652620962.db2.gz FKDAKRQEJYNHNW-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(F)c(Br)c1F ZINC000668045606 652627800 /nfs/dbraw/zinc/62/78/00/652627800.db2.gz VOORDYNTTQRUMG-SNVBAGLBSA-N 1 2 391.260 2.485 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000668254394 652635208 /nfs/dbraw/zinc/63/52/08/652635208.db2.gz XXPLMXOTPGCFAV-AWEZNQCLSA-N 1 2 396.329 2.500 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000668254394 652635215 /nfs/dbraw/zinc/63/52/15/652635215.db2.gz XXPLMXOTPGCFAV-AWEZNQCLSA-N 1 2 396.329 2.500 20 0 GEADLO O=S(=O)(N[C@H]1CCn2c[nH+]cc2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000634660926 652651856 /nfs/dbraw/zinc/65/18/56/652651856.db2.gz FPWXOZDLMREDGP-NSHDSACASA-N 1 2 375.372 2.118 20 0 GEADLO O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000634661702 652652396 /nfs/dbraw/zinc/65/23/96/652652396.db2.gz ZYWTXDDWZIKPIL-GFCCVEGCSA-N 1 2 375.372 2.216 20 0 GEADLO O=S(=O)(CCc1ccccc1Br)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000634661624 652652461 /nfs/dbraw/zinc/65/24/61/652652461.db2.gz XKRKMUMOTPTKQC-CYBMUJFWSA-N 1 2 384.299 2.123 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3c(Cl)cccc3N3CCCC3)C[C@H]21 ZINC000668632844 652654270 /nfs/dbraw/zinc/65/42/70/652654270.db2.gz BGDCRMUCEQEQBF-QGTPRVQTSA-N 1 2 384.929 2.184 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C[C@H]21 ZINC000668632844 652654279 /nfs/dbraw/zinc/65/42/79/652654279.db2.gz BGDCRMUCEQEQBF-QGTPRVQTSA-N 1 2 384.929 2.184 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)c1F ZINC000594464008 652657079 /nfs/dbraw/zinc/65/70/79/652657079.db2.gz VPBTZQMBKXKNFY-UHFFFAOYSA-N 1 2 390.864 2.196 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)c1F ZINC000594464008 652657085 /nfs/dbraw/zinc/65/70/85/652657085.db2.gz VPBTZQMBKXKNFY-UHFFFAOYSA-N 1 2 390.864 2.196 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)NCC[S@](C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762579346 652704583 /nfs/dbraw/zinc/70/45/83/652704583.db2.gz ZECVRNOEZBKRST-PIQRMGSASA-N 1 2 375.897 2.150 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)NCC[S@](C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762579346 652704602 /nfs/dbraw/zinc/70/46/02/652704602.db2.gz ZECVRNOEZBKRST-PIQRMGSASA-N 1 2 375.897 2.150 20 0 GEADLO O=S(=O)(N1CCCCC1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000635372347 652723296 /nfs/dbraw/zinc/72/32/96/652723296.db2.gz URXBGSYJTWZBFI-UHFFFAOYSA-N 1 2 387.933 2.067 20 0 GEADLO COC(=O)[C@H](c1ccccc1Br)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000595494704 652731002 /nfs/dbraw/zinc/73/10/02/652731002.db2.gz ZVWAEIBTZFVEDW-VBQJREDUSA-N 1 2 397.313 2.458 20 0 GEADLO CCCN(C)C(=O)[C@H]1CSCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635462901 652731991 /nfs/dbraw/zinc/73/19/91/652731991.db2.gz YODVVQRIPFVQNP-VXGBXAGGSA-N 1 2 378.420 2.147 20 0 GEADLO O=C(NCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cccc(Br)c1 ZINC000635464663 652732581 /nfs/dbraw/zinc/73/25/81/652732581.db2.gz HZBSFMBNFXWNCL-ZIAGYGMSSA-N 1 2 391.269 2.212 20 0 GEADLO O=C(NCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cccc(Br)c1 ZINC000635464663 652732584 /nfs/dbraw/zinc/73/25/84/652732584.db2.gz HZBSFMBNFXWNCL-ZIAGYGMSSA-N 1 2 391.269 2.212 20 0 GEADLO CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635469987 652733297 /nfs/dbraw/zinc/73/32/97/652733297.db2.gz SKZFJWWJKGXCPM-MNOVXSKESA-N 1 2 378.420 2.193 20 0 GEADLO CCN(CC)S(=O)(=O)c1cc(C(=O)OCCn2cc[nH+]c2)ccc1Cl ZINC000763113439 652738275 /nfs/dbraw/zinc/73/82/75/652738275.db2.gz AQUUWNOJNDGBHL-UHFFFAOYSA-N 1 2 385.873 2.424 20 0 GEADLO COC(=O)Cc1cc[nH+]c(NCCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000596250217 652755596 /nfs/dbraw/zinc/75/55/96/652755596.db2.gz TZDSCMLXMPUNAJ-UHFFFAOYSA-N 1 2 382.869 2.726 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(I)c2)C1 ZINC000597224217 652776236 /nfs/dbraw/zinc/77/62/36/652776236.db2.gz AKAZHVCJZVNFCY-AWEZNQCLSA-N 1 2 387.265 2.479 20 0 GEADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(I)c2)C1 ZINC000597224217 652776241 /nfs/dbraw/zinc/77/62/41/652776241.db2.gz AKAZHVCJZVNFCY-AWEZNQCLSA-N 1 2 387.265 2.479 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Br)c(F)c1C ZINC000597440464 652783000 /nfs/dbraw/zinc/78/30/00/652783000.db2.gz ACTQMJVLABBTIK-LBPRGKRZSA-N 1 2 384.205 2.134 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Br)c(F)c1C ZINC000597440464 652783006 /nfs/dbraw/zinc/78/30/06/652783006.db2.gz ACTQMJVLABBTIK-LBPRGKRZSA-N 1 2 384.205 2.134 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cccc(I)c1 ZINC000597996349 652795768 /nfs/dbraw/zinc/79/57/68/652795768.db2.gz ITOBUSRWVRAXJQ-NEPJUHHUSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cccc(I)c1 ZINC000597996349 652795775 /nfs/dbraw/zinc/79/57/75/652795775.db2.gz ITOBUSRWVRAXJQ-NEPJUHHUSA-N 1 2 388.249 2.130 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1Br ZINC000598181622 652801779 /nfs/dbraw/zinc/80/17/79/652801779.db2.gz BFYBITFEPFVNKM-LALPHHSUSA-N 1 2 392.253 2.317 20 0 GEADLO O=C(CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1)Nc1ccon1 ZINC000671702390 652810281 /nfs/dbraw/zinc/81/02/81/652810281.db2.gz PGRBBGDVBZQJDK-UHFFFAOYSA-N 1 2 394.229 2.368 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000636631417 652813166 /nfs/dbraw/zinc/81/31/66/652813166.db2.gz VBMUJCITYYXEPP-FZMZJTMJSA-N 1 2 377.242 2.393 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cn3ncc(Br)c3C3CC3)CC2)cn1 ZINC000764985264 652817982 /nfs/dbraw/zinc/81/79/82/652817982.db2.gz PJLWMQFZEFOZLC-UHFFFAOYSA-N 1 2 379.306 2.032 20 0 GEADLO C[C@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)Oc1ccccc1Br ZINC000636891039 652828258 /nfs/dbraw/zinc/82/82/58/652828258.db2.gz YXLBAOUUMMKQPF-NEPJUHHUSA-N 1 2 379.258 2.337 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000598947765 652841631 /nfs/dbraw/zinc/84/16/31/652841631.db2.gz MIECMBNSSLIWGN-CYBMUJFWSA-N 1 2 378.226 2.177 20 0 GEADLO O=C(c1cc2ncc(Br)cn2n1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000637191006 652845798 /nfs/dbraw/zinc/84/57/98/652845798.db2.gz PMBYJFIQXCJYED-CYBMUJFWSA-N 1 2 388.225 2.180 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@H]1C ZINC000765741796 652851090 /nfs/dbraw/zinc/85/10/90/652851090.db2.gz OLHUFVPMEMLNLK-OLZOCXBDSA-N 1 2 387.933 2.145 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@H]1C ZINC000765741796 652851093 /nfs/dbraw/zinc/85/10/93/652851093.db2.gz OLHUFVPMEMLNLK-OLZOCXBDSA-N 1 2 387.933 2.145 20 0 GEADLO COC(=O)CCNC(=O)CCNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000599170473 652852176 /nfs/dbraw/zinc/85/21/76/652852176.db2.gz QWTKAIUOMQKIFU-UHFFFAOYSA-N 1 2 398.232 2.040 20 0 GEADLO COC(=O)C[C@H]1CCC[N@@H+]1CN1C(=O)c2ccc(Br)cc2C1=O ZINC000766097321 652867276 /nfs/dbraw/zinc/86/72/76/652867276.db2.gz UTCSDRBBWPGVOL-LLVKDONJSA-N 1 2 381.226 2.030 20 0 GEADLO COC(=O)C[C@H]1CCC[N@H+]1CN1C(=O)c2ccc(Br)cc2C1=O ZINC000766097321 652867284 /nfs/dbraw/zinc/86/72/84/652867284.db2.gz UTCSDRBBWPGVOL-LLVKDONJSA-N 1 2 381.226 2.030 20 0 GEADLO NS(=O)(=O)c1ccc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)s1 ZINC000637835798 652875142 /nfs/dbraw/zinc/87/51/42/652875142.db2.gz KBLRWOKRSNTUJF-DAXSKMNVSA-N 1 2 377.535 2.227 20 0 GEADLO C[N@H+](Cc1ccc(S(N)(=O)=O)o1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000637944805 652878362 /nfs/dbraw/zinc/87/83/62/652878362.db2.gz NGWZYBSYBXCBQI-UKRRQHHQSA-N 1 2 391.276 2.324 20 0 GEADLO C[N@@H+](Cc1ccc(S(N)(=O)=O)o1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000637944805 652878364 /nfs/dbraw/zinc/87/83/64/652878364.db2.gz NGWZYBSYBXCBQI-UKRRQHHQSA-N 1 2 391.276 2.324 20 0 GEADLO CC(C)C(=O)N1CCC[N@H+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000637957383 652878850 /nfs/dbraw/zinc/87/88/50/652878850.db2.gz TWNBNNBPLHAEDA-UHFFFAOYSA-N 1 2 380.290 2.182 20 0 GEADLO CC(C)C(=O)N1CCC[N@@H+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000637957383 652878853 /nfs/dbraw/zinc/87/88/53/652878853.db2.gz TWNBNNBPLHAEDA-UHFFFAOYSA-N 1 2 380.290 2.182 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@H](C)S1 ZINC000637978761 652880419 /nfs/dbraw/zinc/88/04/19/652880419.db2.gz RFECUJIMPVDJPI-AOOOYVTPSA-N 1 2 379.345 2.422 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@H](C)S1 ZINC000637978761 652880424 /nfs/dbraw/zinc/88/04/24/652880424.db2.gz RFECUJIMPVDJPI-AOOOYVTPSA-N 1 2 379.345 2.422 20 0 GEADLO C[C@@H]1C[NH+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@@H](C)S1 ZINC000637978788 652880464 /nfs/dbraw/zinc/88/04/64/652880464.db2.gz RFECUJIMPVDJPI-NXEZZACHSA-N 1 2 379.345 2.422 20 0 GEADLO O=S(=O)(C1Cc2ccccc2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000674340109 652895376 /nfs/dbraw/zinc/89/53/76/652895376.db2.gz IUUACPMEHGDRJS-UHFFFAOYSA-N 1 2 376.547 2.405 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(CC(=O)Nc2nnc(C(C)(C)C)s2)CC1 ZINC000766898568 652903031 /nfs/dbraw/zinc/90/30/31/652903031.db2.gz BHXPEQLXXTXSBH-UHFFFAOYSA-N 1 2 375.489 2.435 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(CC(=O)Nc2nnc(C(C)(C)C)s2)CC1 ZINC000766898568 652903038 /nfs/dbraw/zinc/90/30/38/652903038.db2.gz BHXPEQLXXTXSBH-UHFFFAOYSA-N 1 2 375.489 2.435 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[N@@H+]1C1CC1 ZINC000674688449 652908534 /nfs/dbraw/zinc/90/85/34/652908534.db2.gz ABWXUBWONBNTOL-OCCSQVGLSA-N 1 2 382.913 2.388 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C[N@H+]1C1CC1 ZINC000674688449 652908537 /nfs/dbraw/zinc/90/85/37/652908537.db2.gz ABWXUBWONBNTOL-OCCSQVGLSA-N 1 2 382.913 2.388 20 0 GEADLO C[C@H]1C[N@H+](Cc2cnn3cc(Br)cnc23)C[C@]2(CCCOC2)O1 ZINC000639129834 652921309 /nfs/dbraw/zinc/92/13/09/652921309.db2.gz VWJJHMHEHQPFCI-LRDDRELGSA-N 1 2 381.274 2.262 20 0 GEADLO C[C@H]1C[N@@H+](Cc2cnn3cc(Br)cnc23)C[C@]2(CCCOC2)O1 ZINC000639129834 652921312 /nfs/dbraw/zinc/92/13/12/652921312.db2.gz VWJJHMHEHQPFCI-LRDDRELGSA-N 1 2 381.274 2.262 20 0 GEADLO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)c(Br)c3)C2)c1 ZINC000639198124 652926959 /nfs/dbraw/zinc/92/69/59/652926959.db2.gz NRNIPCRJVMDYDN-CYBMUJFWSA-N 1 2 399.314 2.048 20 0 GEADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)c(Br)c3)C2)c1 ZINC000639198124 652926962 /nfs/dbraw/zinc/92/69/62/652926962.db2.gz NRNIPCRJVMDYDN-CYBMUJFWSA-N 1 2 399.314 2.048 20 0 GEADLO CS(=O)(=O)C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000675505027 652930408 /nfs/dbraw/zinc/93/04/08/652930408.db2.gz YTVTXSMFARYJSA-LBPRGKRZSA-N 1 2 382.309 2.242 20 0 GEADLO Cc1cc(Cl)c(C)c(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1Cl ZINC000600780297 652933465 /nfs/dbraw/zinc/93/34/65/652933465.db2.gz MKOSRWOVTQNSNS-LBPRGKRZSA-N 1 2 380.341 2.134 20 0 GEADLO Cc1cc(Cl)c(C)c(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c1Cl ZINC000600780297 652933471 /nfs/dbraw/zinc/93/34/71/652933471.db2.gz MKOSRWOVTQNSNS-LBPRGKRZSA-N 1 2 380.341 2.134 20 0 GEADLO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000639548155 652940952 /nfs/dbraw/zinc/94/09/52/652940952.db2.gz YAEZRYKAQUCHAP-JKSUJKDBSA-N 1 2 375.296 2.140 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639586525 652942633 /nfs/dbraw/zinc/94/26/33/652942633.db2.gz NEXOEHUWNXVIJP-UKRRQHHQSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000639586525 652942640 /nfs/dbraw/zinc/94/26/40/652942640.db2.gz NEXOEHUWNXVIJP-UKRRQHHQSA-N 1 2 382.309 2.242 20 0 GEADLO COc1cc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)cnc1Cl ZINC000767696644 652943125 /nfs/dbraw/zinc/94/31/25/652943125.db2.gz HGBFNXQYKDKDCT-UHFFFAOYSA-N 1 2 382.873 2.086 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C2)[nH]1 ZINC000639645119 652945726 /nfs/dbraw/zinc/94/57/26/652945726.db2.gz GQPPRYNOGXQJIK-MFKMUULPSA-N 1 2 387.267 2.436 20 0 GEADLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@H](O)COc3cc(Cl)cc(Cl)c3)C2)[nH]1 ZINC000639645119 652945729 /nfs/dbraw/zinc/94/57/29/652945729.db2.gz GQPPRYNOGXQJIK-MFKMUULPSA-N 1 2 387.267 2.436 20 0 GEADLO CS(=O)(=O)CC1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639655251 652946374 /nfs/dbraw/zinc/94/63/74/652946374.db2.gz SEFJTVKPMBYULO-HNNXBMFYSA-N 1 2 396.336 2.490 20 0 GEADLO C[N@@H+]1CCCC[C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000600988053 652947106 /nfs/dbraw/zinc/94/71/06/652947106.db2.gz OZWSNGNJPYJYSY-ZDUSSCGKSA-N 1 2 378.274 2.335 20 0 GEADLO C[N@H+]1CCCC[C@H]1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000600988053 652947115 /nfs/dbraw/zinc/94/71/15/652947115.db2.gz OZWSNGNJPYJYSY-ZDUSSCGKSA-N 1 2 378.274 2.335 20 0 GEADLO Cn1ccnc1[C@H]([NH2+]CC(=O)Nc1ccccc1Br)C(C)(C)CO ZINC000639775533 652954840 /nfs/dbraw/zinc/95/48/40/652954840.db2.gz WPAHRPVJMWWPII-HNNXBMFYSA-N 1 2 395.301 2.471 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639818191 652956787 /nfs/dbraw/zinc/95/67/87/652956787.db2.gz NCNIKEYZIAWNCT-HUUCEWRRSA-N 1 2 378.274 2.294 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639818191 652956794 /nfs/dbraw/zinc/95/67/94/652956794.db2.gz NCNIKEYZIAWNCT-HUUCEWRRSA-N 1 2 378.274 2.294 20 0 GEADLO CCOCCN1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000676477022 653097391 /nfs/dbraw/zinc/09/73/91/653097391.db2.gz FAOMZILCAQECRW-CQSZACIVSA-N 1 2 377.312 2.387 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000768062154 653100161 /nfs/dbraw/zinc/10/01/61/653100161.db2.gz JVFXAXFOEUAEKT-ZDUSSCGKSA-N 1 2 390.311 2.218 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000768062154 653100166 /nfs/dbraw/zinc/10/01/66/653100166.db2.gz JVFXAXFOEUAEKT-ZDUSSCGKSA-N 1 2 390.311 2.218 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Nc2cscc2Br)CC1 ZINC000640184959 653103364 /nfs/dbraw/zinc/10/33/64/653103364.db2.gz GUIAFTGMPVITOI-UHFFFAOYSA-N 1 2 392.319 2.323 20 0 GEADLO COC[C@@H]1CCCC[N@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000768541612 653116482 /nfs/dbraw/zinc/11/64/82/653116482.db2.gz QAGIGLHRNFPJNR-CABCVRRESA-N 1 2 389.949 2.453 20 0 GEADLO COC[C@@H]1CCCC[N@@H+](Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000768541612 653116485 /nfs/dbraw/zinc/11/64/85/653116485.db2.gz QAGIGLHRNFPJNR-CABCVRRESA-N 1 2 389.949 2.453 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000805475601 653118520 /nfs/dbraw/zinc/11/85/20/653118520.db2.gz VIZOVOBDBRBVHZ-DOMZBBRYSA-N 1 2 399.285 2.348 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000805475601 653118525 /nfs/dbraw/zinc/11/85/25/653118525.db2.gz VIZOVOBDBRBVHZ-DOMZBBRYSA-N 1 2 399.285 2.348 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000676989656 653118574 /nfs/dbraw/zinc/11/85/74/653118574.db2.gz PPJRTGXLEOHPOZ-QWRGUYRKSA-N 1 2 387.267 2.436 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000676989656 653118577 /nfs/dbraw/zinc/11/85/77/653118577.db2.gz PPJRTGXLEOHPOZ-QWRGUYRKSA-N 1 2 387.267 2.436 20 0 GEADLO Cc1cc(N2CC[C@@H](S(N)(=O)=O)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000677307516 653120167 /nfs/dbraw/zinc/12/01/67/653120167.db2.gz HMDCANSPEPOFIK-SNVBAGLBSA-N 1 2 375.372 2.309 20 0 GEADLO NC(=O)c1cc(OC2CC[NH+](Cc3cncc(Br)c3)CC2)ccn1 ZINC000772352149 653145947 /nfs/dbraw/zinc/14/59/47/653145947.db2.gz UOSUMTJTQMSXJM-UHFFFAOYSA-N 1 2 391.269 2.381 20 0 GEADLO Cn1ncc(C[NH2+][C@@H]2CCCOc3ccc(I)cc32)n1 ZINC000806168501 653154516 /nfs/dbraw/zinc/15/45/16/653154516.db2.gz OWUFAOZCZWLGPD-CYBMUJFWSA-N 1 2 384.221 2.423 20 0 GEADLO CC(C)n1ncc2cc(CN3CC[NH+](CC[S@](C)=O)CC3)c(Cl)nc21 ZINC000769481194 653159153 /nfs/dbraw/zinc/15/91/53/653159153.db2.gz SRWTXSCEEZZKQX-VWLOTQADSA-N 1 2 383.949 2.162 20 0 GEADLO CCOc1cccc(CN2CC[NH+](CC[S@@](C)=O)CC2)c1OC(F)F ZINC000769481259 653159345 /nfs/dbraw/zinc/15/93/45/653159345.db2.gz UDYCOFFADBTZIN-RUZDIDTESA-N 1 2 376.469 2.183 20 0 GEADLO C[C@@H](c1cc(Cl)ccc1Cl)n1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC000641132541 653160932 /nfs/dbraw/zinc/16/09/32/653160932.db2.gz MCFOMENTFLMBFG-CMPLNLGQSA-N 1 2 389.308 2.471 20 0 GEADLO O=C(Cn1cc(C[NH+]2CCCC2)nn1)c1c[nH]c2ncc(Br)cc12 ZINC000641169098 653165387 /nfs/dbraw/zinc/16/53/87/653165387.db2.gz UNKHQXXDDXSFLU-UHFFFAOYSA-N 1 2 389.257 2.396 20 0 GEADLO C[C@H]1COCCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000772824306 653167561 /nfs/dbraw/zinc/16/75/61/653167561.db2.gz LWGDYHFBDGWICM-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1COCCC[N@H+]1CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000772824306 653167566 /nfs/dbraw/zinc/16/75/66/653167566.db2.gz LWGDYHFBDGWICM-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1COCCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000772824298 653167582 /nfs/dbraw/zinc/16/75/82/653167582.db2.gz LWGDYHFBDGWICM-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1COCCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000772824298 653167589 /nfs/dbraw/zinc/16/75/89/653167589.db2.gz LWGDYHFBDGWICM-SJCJKPOMSA-N 1 2 396.285 2.284 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn(Cc3c(Cl)oc4ccccc43)nn2)C1 ZINC000641207150 653170287 /nfs/dbraw/zinc/17/02/87/653170287.db2.gz PCCRSAAWBGMCDK-LLVKDONJSA-N 1 2 380.857 2.003 20 0 GEADLO COCC[N@H+](C)Cc1cn(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)nn1 ZINC000641220343 653170822 /nfs/dbraw/zinc/17/08/22/653170822.db2.gz NOKVGTKIQOKIED-OAHLLOKOSA-N 1 2 389.283 2.103 20 0 GEADLO COCC[N@@H+](C)Cc1cn(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)nn1 ZINC000641220343 653170824 /nfs/dbraw/zinc/17/08/24/653170824.db2.gz NOKVGTKIQOKIED-OAHLLOKOSA-N 1 2 389.283 2.103 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000680864121 653171971 /nfs/dbraw/zinc/17/19/71/653171971.db2.gz AOVZITYEFWOIAO-DGCLKSJQSA-N 1 2 382.309 2.242 20 0 GEADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000680864121 653171976 /nfs/dbraw/zinc/17/19/76/653171976.db2.gz AOVZITYEFWOIAO-DGCLKSJQSA-N 1 2 382.309 2.242 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc(Br)cc1F ZINC000807282976 653188782 /nfs/dbraw/zinc/18/87/82/653188782.db2.gz CRKJWIRGUXQHCE-AWEZNQCLSA-N 1 2 398.232 2.075 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc(Br)cc1F ZINC000807282977 653188993 /nfs/dbraw/zinc/18/89/93/653188993.db2.gz CRKJWIRGUXQHCE-CQSZACIVSA-N 1 2 398.232 2.075 20 0 GEADLO CC(C)(O)C[NH+]1CCN(c2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641334622 653189146 /nfs/dbraw/zinc/18/91/46/653189146.db2.gz JJVSZSDTYCZNPQ-UHFFFAOYSA-N 1 2 383.212 2.151 20 0 GEADLO O[C@H]1CCC[C@@H]1[NH+]1CCN(c2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641342882 653189742 /nfs/dbraw/zinc/18/97/42/653189742.db2.gz KCDJXUHOYORTGD-UWVGGRQHSA-N 1 2 395.223 2.293 20 0 GEADLO C[C@@H](Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1)C1CCSCC1 ZINC000681740897 653190469 /nfs/dbraw/zinc/19/04/69/653190469.db2.gz CENXGGMPHFKVQC-CQSZACIVSA-N 1 2 384.571 2.107 20 0 GEADLO CN1CC[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000641392795 653197617 /nfs/dbraw/zinc/19/76/17/653197617.db2.gz FJYOOPNOTGQDEU-CVEARBPZSA-N 1 2 386.880 2.040 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCc2cc(Br)cc(F)c2C1 ZINC000641412742 653202135 /nfs/dbraw/zinc/20/21/35/653202135.db2.gz VJNICXXBSRGWFO-UHFFFAOYSA-N 1 2 388.262 2.173 20 0 GEADLO COC(=O)CNC(=O)C[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000602749568 653204795 /nfs/dbraw/zinc/20/47/95/653204795.db2.gz YTZSYLXRPYWTAQ-UHFFFAOYSA-N 1 2 388.276 2.496 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602802185 653207652 /nfs/dbraw/zinc/20/76/52/653207652.db2.gz OYMWYMZKJPCPQR-DZKIICNBSA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602802185 653207659 /nfs/dbraw/zinc/20/76/59/653207659.db2.gz OYMWYMZKJPCPQR-DZKIICNBSA-N 1 2 392.279 2.386 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770285690 653207752 /nfs/dbraw/zinc/20/77/52/653207752.db2.gz IVIYPMPHVXWMQR-FMKPAKJESA-N 1 2 387.933 2.205 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770285690 653207756 /nfs/dbraw/zinc/20/77/56/653207756.db2.gz IVIYPMPHVXWMQR-FMKPAKJESA-N 1 2 387.933 2.205 20 0 GEADLO COC(=O)c1cc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)ccc1Br ZINC000602927424 653215701 /nfs/dbraw/zinc/21/57/01/653215701.db2.gz GGRQAAVDMULYRT-JTQLQIEISA-N 1 2 379.214 2.179 20 0 GEADLO O=C(N[C@@H](CCO)c1ccccc1Br)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682528452 653217146 /nfs/dbraw/zinc/21/71/46/653217146.db2.gz BMRRYRMQCFWHDR-DOMZBBRYSA-N 1 2 378.270 2.448 20 0 GEADLO COc1ccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)c(I)c1 ZINC000602991957 653220111 /nfs/dbraw/zinc/22/01/11/653220111.db2.gz YQWUPPPQLXKQCC-VIFPVBQESA-N 1 2 398.204 2.243 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000641569124 653222466 /nfs/dbraw/zinc/22/24/66/653222466.db2.gz JSAVFEGUWYCURW-UHFFFAOYSA-N 1 2 375.372 2.390 20 0 GEADLO NC(=O)C1([NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CCOCC1 ZINC000682782083 653223160 /nfs/dbraw/zinc/22/31/60/653223160.db2.gz PYXUIFUQIZQGJT-UHFFFAOYSA-N 1 2 381.885 2.500 20 0 GEADLO Cc1cc(Br)ncc1NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000774306293 653233585 /nfs/dbraw/zinc/23/35/85/653233585.db2.gz XKWJFKGFYICHFW-UHFFFAOYSA-N 1 2 392.257 2.151 20 0 GEADLO C[C@H]1CCOCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000774648649 653246497 /nfs/dbraw/zinc/24/64/97/653246497.db2.gz KNRNPSQKCGRCQQ-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1CCOCC[N@H+]1CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000774648649 653246499 /nfs/dbraw/zinc/24/64/99/653246499.db2.gz KNRNPSQKCGRCQQ-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000774784230 653254296 /nfs/dbraw/zinc/25/42/96/653254296.db2.gz CDLVYZVCUOQTDJ-UNJUUPHPSA-N 1 2 386.901 2.210 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000774784230 653254301 /nfs/dbraw/zinc/25/43/01/653254301.db2.gz CDLVYZVCUOQTDJ-UNJUUPHPSA-N 1 2 386.901 2.210 20 0 GEADLO CS[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000775076200 653285301 /nfs/dbraw/zinc/28/53/01/653285301.db2.gz BRPIPCPXIMVYEG-WOSRLPQWSA-N 1 2 383.945 2.459 20 0 GEADLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)c1c(Cl)cnn1C)c1ccccc1 ZINC000684659521 653285508 /nfs/dbraw/zinc/28/55/08/653285508.db2.gz VTHONNORENDRHD-AWEZNQCLSA-N 1 2 379.873 2.069 20 0 GEADLO COc1cc(C[NH2+]Cc2nonc2C)cc(I)c1OC ZINC000809744234 653292778 /nfs/dbraw/zinc/29/27/78/653292778.db2.gz BPDLVBSPVLPJSI-UHFFFAOYSA-N 1 2 389.193 2.290 20 0 GEADLO CCN(CC)C(=O)CSc1nnc(SCc2ccc(C)[nH+]c2C)n1N ZINC000775156506 653293253 /nfs/dbraw/zinc/29/32/53/653293253.db2.gz FBHZGCOMFYAPKV-UHFFFAOYSA-N 1 2 380.543 2.257 20 0 GEADLO O=S(=O)(C[C@@H]1CCC(F)(F)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000685291186 653301758 /nfs/dbraw/zinc/30/17/58/653301758.db2.gz QPJZKWORZVYFAR-OAHLLOKOSA-N 1 2 380.501 2.376 20 0 GEADLO CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC(F)(F)c1ccc(Br)cc1 ZINC000857252164 653303645 /nfs/dbraw/zinc/30/36/45/653303645.db2.gz BOBOPBBTIDHPTM-CHWSQXEVSA-N 1 2 377.229 2.424 20 0 GEADLO CC1(C)OCC([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CO1 ZINC000775550818 653316744 /nfs/dbraw/zinc/31/67/44/653316744.db2.gz CDQKTVKRNBDSHZ-CYBMUJFWSA-N 1 2 390.299 2.409 20 0 GEADLO COC(=O)C[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)C1CCOCC1 ZINC000775609647 653319822 /nfs/dbraw/zinc/31/98/22/653319822.db2.gz BDXHCQJISUDTOV-HNNXBMFYSA-N 1 2 390.249 2.276 20 0 GEADLO COC(=O)C[N@@H+](C[C@H](O)c1ccc(F)c(Br)c1)C1CCOCC1 ZINC000775609647 653319830 /nfs/dbraw/zinc/31/98/30/653319830.db2.gz BDXHCQJISUDTOV-HNNXBMFYSA-N 1 2 390.249 2.276 20 0 GEADLO Cn1cc(C[NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)c(Br)n1 ZINC000712448777 653324071 /nfs/dbraw/zinc/32/40/71/653324071.db2.gz HTGUHCLSEUESEF-QGZVFWFLSA-N 1 2 392.345 2.088 20 0 GEADLO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000874828313 653339004 /nfs/dbraw/zinc/33/90/04/653339004.db2.gz HBSPUCVKIMUVMN-STQMWFEESA-N 1 2 376.400 2.289 20 0 GEADLO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000874828313 653339009 /nfs/dbraw/zinc/33/90/09/653339009.db2.gz HBSPUCVKIMUVMN-STQMWFEESA-N 1 2 376.400 2.289 20 0 GEADLO C[C@]1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1(Cl)Cl ZINC000836249157 653340738 /nfs/dbraw/zinc/34/07/38/653340738.db2.gz HTLOHPPGLHAPCM-ZIAGYGMSSA-N 1 2 382.357 2.077 20 0 GEADLO COc1cc(/C=C\C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc(Br)c1O ZINC000857887587 653342116 /nfs/dbraw/zinc/34/21/16/653342116.db2.gz MUOVQBBXBPVGPZ-OTDNITJGSA-N 1 2 378.226 2.114 20 0 GEADLO C[C@@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000857899390 653342792 /nfs/dbraw/zinc/34/27/92/653342792.db2.gz DJLPORMWJCVHNT-SNVBAGLBSA-N 1 2 388.417 2.218 20 0 GEADLO C[C@@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000857899681 653342841 /nfs/dbraw/zinc/34/28/41/653342841.db2.gz LTLNNRVDWMQMJC-SNVBAGLBSA-N 1 2 386.882 2.278 20 0 GEADLO COc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c(I)c1 ZINC000857983825 653345978 /nfs/dbraw/zinc/34/59/78/653345978.db2.gz VYWBQFZZQQFPFD-GFCCVEGCSA-N 1 2 383.189 2.371 20 0 GEADLO CN(CC(=O)N[C@@H]1CCn2c[nH+]cc21)C(=O)c1ccc(Br)s1 ZINC000857985354 653346302 /nfs/dbraw/zinc/34/63/02/653346302.db2.gz JAVYZSKFSPLGOK-SECBINFHSA-N 1 2 383.271 2.040 20 0 GEADLO Cc1ccc(NC(=O)NCCn2cc(Br)ccc2=O)c(N(C)C)[nH+]1 ZINC000836478173 653355424 /nfs/dbraw/zinc/35/54/24/653355424.db2.gz IPYWVPZGXBGBNK-UHFFFAOYSA-N 1 2 394.273 2.202 20 0 GEADLO CC(Cl)(Cl)C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000777218168 653390760 /nfs/dbraw/zinc/39/07/60/653390760.db2.gz ARTOATPKUWJAML-UHFFFAOYSA-N 1 2 375.252 2.194 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)cc1Cl ZINC000859092567 653404301 /nfs/dbraw/zinc/40/43/01/653404301.db2.gz AASLARCZVCUSJD-UHFFFAOYSA-N 1 2 386.861 2.474 20 0 GEADLO CC[N@H+](Cn1c2ccc(I)cc2oc1=O)[C@H]1CCOC1 ZINC000812296132 653421143 /nfs/dbraw/zinc/42/11/43/653421143.db2.gz KYRHYSSPACQLAL-NSHDSACASA-N 1 2 388.205 2.267 20 0 GEADLO CC[N@@H+](Cn1c2ccc(I)cc2oc1=O)[C@H]1CCOC1 ZINC000812296132 653421147 /nfs/dbraw/zinc/42/11/47/653421147.db2.gz KYRHYSSPACQLAL-NSHDSACASA-N 1 2 388.205 2.267 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1Br ZINC000876625510 653438634 /nfs/dbraw/zinc/43/86/34/653438634.db2.gz XFNQSVHWIYNTAM-ZDUSSCGKSA-N 1 2 396.285 2.225 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1Br ZINC000876625510 653438640 /nfs/dbraw/zinc/43/86/40/653438640.db2.gz XFNQSVHWIYNTAM-ZDUSSCGKSA-N 1 2 396.285 2.225 20 0 GEADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1c(Br)nc2n1CCCC2 ZINC000837494261 653443962 /nfs/dbraw/zinc/44/39/62/653443962.db2.gz VBEFBSONPBGVLW-LBPRGKRZSA-N 1 2 390.285 2.386 20 0 GEADLO Brc1cnn(C2CC[NH+](Cc3cn(C[C@H]4CCCO4)nn3)CC2)c1 ZINC000876727451 653444417 /nfs/dbraw/zinc/44/44/17/653444417.db2.gz KRFKZMSHCYDMSF-MRXNPFEDSA-N 1 2 395.305 2.253 20 0 GEADLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1Br ZINC000876738959 653445428 /nfs/dbraw/zinc/44/54/28/653445428.db2.gz MOHQSOFUQKNEEI-QWRGUYRKSA-N 1 2 392.315 2.489 20 0 GEADLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1Br ZINC000876738959 653445430 /nfs/dbraw/zinc/44/54/30/653445430.db2.gz MOHQSOFUQKNEEI-QWRGUYRKSA-N 1 2 392.315 2.489 20 0 GEADLO COc1cc(CN2CC[NH+](CC[S@@](C)=O)CC2)c(F)cc1Br ZINC000876763115 653446683 /nfs/dbraw/zinc/44/66/83/653446683.db2.gz NIKNLSWIMYSMBM-JOCHJYFZSA-N 1 2 393.322 2.093 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OC[C@H](COC)c2ccc(Br)cc2)C1 ZINC000837548183 653448513 /nfs/dbraw/zinc/44/85/13/653448513.db2.gz XUNCGKVXLGWKRI-HOCLYGCPSA-N 1 2 386.286 2.443 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OC[C@H](COC)c2ccc(Br)cc2)C1 ZINC000837548183 653448518 /nfs/dbraw/zinc/44/85/18/653448518.db2.gz XUNCGKVXLGWKRI-HOCLYGCPSA-N 1 2 386.286 2.443 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCS(C)(=O)=O)CC[C@H]1C(F)(F)F ZINC000859602953 653477069 /nfs/dbraw/zinc/47/70/69/653477069.db2.gz JEAPCUBGOJQBOD-NWDGAFQWSA-N 1 2 388.452 2.056 20 0 GEADLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@H]1C(F)(F)F ZINC000859602953 653477072 /nfs/dbraw/zinc/47/70/72/653477072.db2.gz JEAPCUBGOJQBOD-NWDGAFQWSA-N 1 2 388.452 2.056 20 0 GEADLO O=C(COC(=O)[C@@H]1C[C@H]1C(F)(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000838021532 653519283 /nfs/dbraw/zinc/51/92/83/653519283.db2.gz ICFZSQMZHMOFDI-CHWSQXEVSA-N 1 2 376.400 2.134 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCCOc2ccc(Cl)c(Cl)c2)CCO1 ZINC000838112296 653609488 /nfs/dbraw/zinc/60/94/88/653609488.db2.gz JICABFGGUNBFCW-LBPRGKRZSA-N 1 2 376.284 2.392 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCOc2ccc(Cl)c(Cl)c2)CCO1 ZINC000838112296 653609490 /nfs/dbraw/zinc/60/94/90/653609490.db2.gz JICABFGGUNBFCW-LBPRGKRZSA-N 1 2 376.284 2.392 20 0 GEADLO Cc1ccnc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1Br ZINC000877513922 653609670 /nfs/dbraw/zinc/60/96/70/653609670.db2.gz CVPWGCFFCUEAJU-ZDUSSCGKSA-N 1 2 390.347 2.256 20 0 GEADLO Cc1ccnc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1Br ZINC000877513922 653609677 /nfs/dbraw/zinc/60/96/77/653609677.db2.gz CVPWGCFFCUEAJU-ZDUSSCGKSA-N 1 2 390.347 2.256 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NC/C=C\c2ccc(Br)cc2)CCO1 ZINC000838116512 653609856 /nfs/dbraw/zinc/60/98/56/653609856.db2.gz VMSUSPGJVKOWNF-PYLYLYNFSA-N 1 2 382.302 2.482 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NC/C=C\c2ccc(Br)cc2)CCO1 ZINC000838116512 653609859 /nfs/dbraw/zinc/60/98/59/653609859.db2.gz VMSUSPGJVKOWNF-PYLYLYNFSA-N 1 2 382.302 2.482 20 0 GEADLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000877559952 653612428 /nfs/dbraw/zinc/61/24/28/653612428.db2.gz BAXIEYVUALIILO-CYBMUJFWSA-N 1 2 382.262 2.154 20 0 GEADLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000877559952 653612432 /nfs/dbraw/zinc/61/24/32/653612432.db2.gz BAXIEYVUALIILO-CYBMUJFWSA-N 1 2 382.262 2.154 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1Br ZINC000877574934 653612942 /nfs/dbraw/zinc/61/29/42/653612942.db2.gz ZSLFAYHPINMJEQ-ZDUSSCGKSA-N 1 2 398.301 2.471 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1Br ZINC000877574934 653612947 /nfs/dbraw/zinc/61/29/47/653612947.db2.gz ZSLFAYHPINMJEQ-ZDUSSCGKSA-N 1 2 398.301 2.471 20 0 GEADLO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3nc4cc(Br)ccc4o3)C2)C1 ZINC000877712744 653617448 /nfs/dbraw/zinc/61/74/48/653617448.db2.gz SSGPQFNSAYSYOV-MRXNPFEDSA-N 1 2 394.225 2.484 20 0 GEADLO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3nc4cc(Br)ccc4o3)C2)C1 ZINC000877712744 653617452 /nfs/dbraw/zinc/61/74/52/653617452.db2.gz SSGPQFNSAYSYOV-MRXNPFEDSA-N 1 2 394.225 2.484 20 0 GEADLO CONC(=O)C1CC[NH+](Cc2cc(OC)c(Br)cc2F)CC1 ZINC000877785111 653619976 /nfs/dbraw/zinc/61/99/76/653619976.db2.gz QDWJXQYEEBMGKR-UHFFFAOYSA-N 1 2 375.238 2.486 20 0 GEADLO O=C(Nc1cc2c(cc1Br)OCCO2)N[C@H]1Cc2c[nH+]cn2C1 ZINC000878008274 653626369 /nfs/dbraw/zinc/62/63/69/653626369.db2.gz YMKMLGMGHZUZMK-VIFPVBQESA-N 1 2 379.214 2.163 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c3nonc32)C[C@H]1n1cc[nH+]c1 ZINC000814387451 653629009 /nfs/dbraw/zinc/62/90/09/653629009.db2.gz YOQCEMDFVFHORL-CMPLNLGQSA-N 1 2 381.845 2.345 20 0 GEADLO CCn1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000838795400 653630155 /nfs/dbraw/zinc/63/01/55/653630155.db2.gz CATXDCGFCIWKPW-LBPRGKRZSA-N 1 2 393.289 2.306 20 0 GEADLO CCn1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000838795400 653630160 /nfs/dbraw/zinc/63/01/60/653630160.db2.gz CATXDCGFCIWKPW-LBPRGKRZSA-N 1 2 393.289 2.306 20 0 GEADLO CCOC(=O)C[N@H+](CCc1nnnn1C)[C@H](C)c1cccc(Br)c1 ZINC000878292514 653633592 /nfs/dbraw/zinc/63/35/92/653633592.db2.gz LOPXCRRMHMTNRO-GFCCVEGCSA-N 1 2 396.289 2.141 20 0 GEADLO CCOC(=O)C[N@@H+](CCc1nnnn1C)[C@H](C)c1cccc(Br)c1 ZINC000878292514 653633595 /nfs/dbraw/zinc/63/35/95/653633595.db2.gz LOPXCRRMHMTNRO-GFCCVEGCSA-N 1 2 396.289 2.141 20 0 GEADLO COc1ccc([C@@H](C)[NH2+]Cc2nnc3c(=O)n(C)ccn23)cc1Br ZINC000878347220 653635289 /nfs/dbraw/zinc/63/52/89/653635289.db2.gz DKSTYZSHZAOXKF-SNVBAGLBSA-N 1 2 392.257 2.050 20 0 GEADLO CC1(C)CN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC[N@@H+]1CCO ZINC000780915515 653635804 /nfs/dbraw/zinc/63/58/04/653635804.db2.gz LCIGYJAHETZLHY-UHFFFAOYSA-N 1 2 398.472 2.376 20 0 GEADLO CC1(C)CN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC[N@H+]1CCO ZINC000780915515 653635806 /nfs/dbraw/zinc/63/58/06/653635806.db2.gz LCIGYJAHETZLHY-UHFFFAOYSA-N 1 2 398.472 2.376 20 0 GEADLO Cn1ccnc1[C@](O)(C[NH2+]Cc1cccc(O)c1Br)C(F)(F)F ZINC000838986281 653638920 /nfs/dbraw/zinc/63/89/20/653638920.db2.gz GSXQXGSKRLXZSF-CYBMUJFWSA-N 1 2 394.191 2.428 20 0 GEADLO C[C@@](CO)([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(Br)cc1 ZINC000878602639 653642214 /nfs/dbraw/zinc/64/22/14/653642214.db2.gz AZOJRANPKBXYFR-KRWDZBQOSA-N 1 2 394.269 2.015 20 0 GEADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878616443 653642709 /nfs/dbraw/zinc/64/27/09/653642709.db2.gz YZOOGAXKILHBOW-NWDGAFQWSA-N 1 2 390.278 2.413 20 0 GEADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878616443 653642712 /nfs/dbraw/zinc/64/27/12/653642712.db2.gz YZOOGAXKILHBOW-NWDGAFQWSA-N 1 2 390.278 2.413 20 0 GEADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878614415 653642745 /nfs/dbraw/zinc/64/27/45/653642745.db2.gz MMDQNKMHRZRDLD-RYUDHWBXSA-N 1 2 390.278 2.460 20 0 GEADLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878614415 653642750 /nfs/dbraw/zinc/64/27/50/653642750.db2.gz MMDQNKMHRZRDLD-RYUDHWBXSA-N 1 2 390.278 2.460 20 0 GEADLO C[N@@H+](Cc1nc2c(c(=O)[nH]1)COCC2)C[C@@H](O)c1cccc(Br)c1 ZINC000878709994 653645305 /nfs/dbraw/zinc/64/53/05/653645305.db2.gz YRFXVQLJCJJIHH-OAHLLOKOSA-N 1 2 394.269 2.183 20 0 GEADLO C[N@H+](Cc1nc2c(c(=O)[nH]1)COCC2)C[C@@H](O)c1cccc(Br)c1 ZINC000878709994 653645307 /nfs/dbraw/zinc/64/53/07/653645307.db2.gz YRFXVQLJCJJIHH-OAHLLOKOSA-N 1 2 394.269 2.183 20 0 GEADLO COc1nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)co1 ZINC000861237580 653650862 /nfs/dbraw/zinc/65/08/62/653650862.db2.gz KMQTYNMRNDRVRU-UHFFFAOYSA-N 1 2 395.257 2.450 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccnc(Br)c3)C2)nn1 ZINC000815092424 653651169 /nfs/dbraw/zinc/65/11/69/653651169.db2.gz GRDNZXPPHGCLPN-LBPRGKRZSA-N 1 2 380.246 2.059 20 0 GEADLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3ccnc(Br)c3)C2)nn1 ZINC000815092424 653651171 /nfs/dbraw/zinc/65/11/71/653651171.db2.gz GRDNZXPPHGCLPN-LBPRGKRZSA-N 1 2 380.246 2.059 20 0 GEADLO Cn1c(C[NH+]2CCC([C@@H](F)C(N)=O)CC2)nc2ccc(Br)cc21 ZINC000879045171 653656520 /nfs/dbraw/zinc/65/65/20/653656520.db2.gz WIZWRIMAGLGYMX-OAHLLOKOSA-N 1 2 383.265 2.371 20 0 GEADLO COCC[NH+](CCOC)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000839956422 653670482 /nfs/dbraw/zinc/67/04/82/653670482.db2.gz AEWNMOMXMPBRAQ-MRXNPFEDSA-N 1 2 385.302 2.317 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CN3CC[C@@H](c4cccc(Br)c4)C3=O)C[C@@H]21 ZINC000840074200 653673543 /nfs/dbraw/zinc/67/35/43/653673543.db2.gz DWOLPHPOIDOWOY-CAOSSQGBSA-N 1 2 393.281 2.073 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@H+](CN3CC[C@@H](c4cccc(Br)c4)C3=O)C[C@@H]21 ZINC000840074200 653673544 /nfs/dbraw/zinc/67/35/44/653673544.db2.gz DWOLPHPOIDOWOY-CAOSSQGBSA-N 1 2 393.281 2.073 20 0 GEADLO CS[C@@H]1CC[N@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000840115979 653674966 /nfs/dbraw/zinc/67/49/66/653674966.db2.gz YFMFWYVBUYWMOL-GFCCVEGCSA-N 1 2 398.282 2.139 20 0 GEADLO CS[C@@H]1CC[N@@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000840115979 653674970 /nfs/dbraw/zinc/67/49/70/653674970.db2.gz YFMFWYVBUYWMOL-GFCCVEGCSA-N 1 2 398.282 2.139 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000840188251 653679217 /nfs/dbraw/zinc/67/92/17/653679217.db2.gz ZTNGHWNFFBBXIE-LBPRGKRZSA-N 1 2 399.310 2.200 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC000840188251 653679219 /nfs/dbraw/zinc/67/92/19/653679219.db2.gz ZTNGHWNFFBBXIE-LBPRGKRZSA-N 1 2 399.310 2.200 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000879705169 653679531 /nfs/dbraw/zinc/67/95/31/653679531.db2.gz MHZBJDXJXSANIP-NWDGAFQWSA-N 1 2 380.436 2.465 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000879705169 653679533 /nfs/dbraw/zinc/67/95/33/653679533.db2.gz MHZBJDXJXSANIP-NWDGAFQWSA-N 1 2 380.436 2.465 20 0 GEADLO Clc1nc(Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cs1 ZINC000840197463 653679627 /nfs/dbraw/zinc/67/96/27/653679627.db2.gz ZJBGTZFSRIBLQH-CQSZACIVSA-N 1 2 376.873 2.405 20 0 GEADLO Clc1nc(Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cs1 ZINC000840197463 653679628 /nfs/dbraw/zinc/67/96/28/653679628.db2.gz ZJBGTZFSRIBLQH-CQSZACIVSA-N 1 2 376.873 2.405 20 0 GEADLO O=S(=O)(N1CCC(CNc2cc(NC3CC3)nc[nH+]2)CC1)C(F)(F)F ZINC000840261853 653680978 /nfs/dbraw/zinc/68/09/78/653680978.db2.gz QUSLZIXFUVRSQV-UHFFFAOYSA-N 1 2 379.408 2.024 20 0 GEADLO O=S(=O)(N1CCC(CNc2cc(NC3CC3)[nH+]cn2)CC1)C(F)(F)F ZINC000840261853 653680981 /nfs/dbraw/zinc/68/09/81/653680981.db2.gz QUSLZIXFUVRSQV-UHFFFAOYSA-N 1 2 379.408 2.024 20 0 GEADLO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000862250650 653682102 /nfs/dbraw/zinc/68/21/02/653682102.db2.gz SDVCEYWZJQEBCF-ZDUSSCGKSA-N 1 2 382.473 2.140 20 0 GEADLO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000862250650 653682105 /nfs/dbraw/zinc/68/21/05/653682105.db2.gz SDVCEYWZJQEBCF-ZDUSSCGKSA-N 1 2 382.473 2.140 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000879803160 653682493 /nfs/dbraw/zinc/68/24/93/653682493.db2.gz MXMPEJFZXXJBNO-UHFFFAOYSA-N 1 2 394.273 2.341 20 0 GEADLO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c(Br)n1 ZINC000862363992 653684345 /nfs/dbraw/zinc/68/43/45/653684345.db2.gz YKDCKBBPNDYIFJ-SNVBAGLBSA-N 1 2 397.239 2.463 20 0 GEADLO Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c(Br)n1 ZINC000862363992 653684347 /nfs/dbraw/zinc/68/43/47/653684347.db2.gz YKDCKBBPNDYIFJ-SNVBAGLBSA-N 1 2 397.239 2.463 20 0 GEADLO C[N@@H+](Cc1ncc(Br)cc1F)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000862382904 653684928 /nfs/dbraw/zinc/68/49/28/653684928.db2.gz CNKWDXXHEGONQG-LLVKDONJSA-N 1 2 392.269 2.301 20 0 GEADLO C[N@H+](Cc1ncc(Br)cc1F)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000862382904 653684932 /nfs/dbraw/zinc/68/49/32/653684932.db2.gz CNKWDXXHEGONQG-LLVKDONJSA-N 1 2 392.269 2.301 20 0 GEADLO Cn1cc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c(Br)n1 ZINC000862408427 653685821 /nfs/dbraw/zinc/68/58/21/653685821.db2.gz BXTMWJFGLQWLGX-SJORKVTESA-N 1 2 391.313 2.268 20 0 GEADLO Cn1cc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c(Br)n1 ZINC000862408427 653685822 /nfs/dbraw/zinc/68/58/22/653685822.db2.gz BXTMWJFGLQWLGX-SJORKVTESA-N 1 2 391.313 2.268 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1 ZINC000879898036 653686159 /nfs/dbraw/zinc/68/61/59/653686159.db2.gz AHDKBEHETZUMSK-MXASKKJJSA-N 1 2 384.929 2.415 20 0 GEADLO CC(C)(C)n1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c(Br)n1 ZINC000840522669 653687816 /nfs/dbraw/zinc/68/78/16/653687816.db2.gz LWRJUBYLAYJZPK-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000879926858 653687959 /nfs/dbraw/zinc/68/79/59/653687959.db2.gz GIJICHKXSIJQOD-JTQLQIEISA-N 1 2 383.802 2.331 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000879926858 653687962 /nfs/dbraw/zinc/68/79/62/653687962.db2.gz GIJICHKXSIJQOD-JTQLQIEISA-N 1 2 383.802 2.331 20 0 GEADLO COc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)nc1Br ZINC000840568591 653689590 /nfs/dbraw/zinc/68/95/90/653689590.db2.gz QLEJOQQTBVLCOX-UHFFFAOYSA-N 1 2 386.290 2.036 20 0 GEADLO C[C@]12C[N@@H+]([C@H]3CCN(c4ccccc4Cl)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015446 653692024 /nfs/dbraw/zinc/69/20/24/653692024.db2.gz FOMQDYVMZIQVGO-RYQLBKOJSA-N 1 2 382.913 2.202 20 0 GEADLO C[C@]12C[N@H+]([C@H]3CCN(c4ccccc4Cl)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015446 653692026 /nfs/dbraw/zinc/69/20/26/653692026.db2.gz FOMQDYVMZIQVGO-RYQLBKOJSA-N 1 2 382.913 2.202 20 0 GEADLO C[C@H](C[N@H+]1C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000880026062 653692754 /nfs/dbraw/zinc/69/27/54/653692754.db2.gz DDSGOFIPRJIPTO-WOPDTQHZSA-N 1 2 388.452 2.055 20 0 GEADLO C[C@H](C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000880026062 653692757 /nfs/dbraw/zinc/69/27/57/653692757.db2.gz DDSGOFIPRJIPTO-WOPDTQHZSA-N 1 2 388.452 2.055 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)CC1CC1 ZINC000784584779 653697223 /nfs/dbraw/zinc/69/72/23/653697223.db2.gz SMWQFQZBISETMI-UHFFFAOYSA-N 1 2 389.308 2.489 20 0 GEADLO C[N@H+](CCS(N)(=O)=O)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000880081832 653697377 /nfs/dbraw/zinc/69/73/77/653697377.db2.gz ZOWXUEGQWMEGOK-UHFFFAOYSA-N 1 2 384.914 2.437 20 0 GEADLO C[N@@H+](CCS(N)(=O)=O)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000880081832 653697380 /nfs/dbraw/zinc/69/73/80/653697380.db2.gz ZOWXUEGQWMEGOK-UHFFFAOYSA-N 1 2 384.914 2.437 20 0 GEADLO CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CCS(=O)(=O)c1cccc(Br)c1 ZINC000880135058 653698980 /nfs/dbraw/zinc/69/89/80/653698980.db2.gz ZFYDAIXFZCCVPY-HOTGVXAUSA-N 1 2 387.343 2.391 20 0 GEADLO CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCS(=O)(=O)c1cccc(Br)c1 ZINC000880135058 653698984 /nfs/dbraw/zinc/69/89/84/653698984.db2.gz ZFYDAIXFZCCVPY-HOTGVXAUSA-N 1 2 387.343 2.391 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000784917879 653701414 /nfs/dbraw/zinc/70/14/14/653701414.db2.gz HXLDBAGNBOEBEK-NHYWBVRUSA-N 1 2 384.885 2.407 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](CC(N)=O)C1CCOCC1)c1ccc(Cl)cc1Cl ZINC000880394655 653705214 /nfs/dbraw/zinc/70/52/14/653705214.db2.gz MOZCCRZKJXVVNA-LLVKDONJSA-N 1 2 388.295 2.137 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](CC(N)=O)C1CCOCC1)c1ccc(Cl)cc1Cl ZINC000880394655 653705215 /nfs/dbraw/zinc/70/52/15/653705215.db2.gz MOZCCRZKJXVVNA-LLVKDONJSA-N 1 2 388.295 2.137 20 0 GEADLO O=C(Cn1cc(Br)cn1)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817179588 653705386 /nfs/dbraw/zinc/70/53/86/653705386.db2.gz QEIMFWIFDGLSHZ-UHFFFAOYSA-N 1 2 394.269 2.221 20 0 GEADLO C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC[N@@H+]1Cc1ccccc1 ZINC000817182186 653705529 /nfs/dbraw/zinc/70/55/29/653705529.db2.gz MBRWGTABLHAVEB-ZFWWWQNUSA-N 1 2 384.307 2.029 20 0 GEADLO C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC[N@H+]1Cc1ccccc1 ZINC000817182186 653705532 /nfs/dbraw/zinc/70/55/32/653705532.db2.gz MBRWGTABLHAVEB-ZFWWWQNUSA-N 1 2 384.307 2.029 20 0 GEADLO CC1(C)[C@@H](NC(=O)C(=O)c2ccc(Br)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000880498068 653707047 /nfs/dbraw/zinc/70/70/47/653707047.db2.gz GCAADEQFHBKLMA-GJZGRUSLSA-N 1 2 395.297 2.247 20 0 GEADLO COC(=O)c1ncn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)n1 ZINC000817361742 653708754 /nfs/dbraw/zinc/70/87/54/653708754.db2.gz GVCCYOPIJWWTSV-CYBMUJFWSA-N 1 2 379.258 2.492 20 0 GEADLO COC(=O)c1ncn(C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)n1 ZINC000817361742 653708756 /nfs/dbraw/zinc/70/87/56/653708756.db2.gz GVCCYOPIJWWTSV-CYBMUJFWSA-N 1 2 379.258 2.492 20 0 GEADLO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000863385279 653708815 /nfs/dbraw/zinc/70/88/15/653708815.db2.gz BLAPACVNOFUGTO-RISCZKNCSA-N 1 2 385.233 2.356 20 0 GEADLO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000863385280 653708826 /nfs/dbraw/zinc/70/88/26/653708826.db2.gz BLAPACVNOFUGTO-SMDDNHRTSA-N 1 2 385.233 2.356 20 0 GEADLO CNC(=O)[C@@H]1CC[N@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C1 ZINC000817370419 653709258 /nfs/dbraw/zinc/70/92/58/653709258.db2.gz KOVXHMMEWCWCGL-GFCCVEGCSA-N 1 2 381.249 2.477 20 0 GEADLO CNC(=O)[C@@H]1CC[N@@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C1 ZINC000817370419 653709259 /nfs/dbraw/zinc/70/92/59/653709259.db2.gz KOVXHMMEWCWCGL-GFCCVEGCSA-N 1 2 381.249 2.477 20 0 GEADLO CO[C@H](C)C[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785528895 653711655 /nfs/dbraw/zinc/71/16/55/653711655.db2.gz KDEBLWYIJHHKPJ-GFCCVEGCSA-N 1 2 394.331 2.339 20 0 GEADLO CO[C@H](C)C[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785528895 653711657 /nfs/dbraw/zinc/71/16/57/653711657.db2.gz KDEBLWYIJHHKPJ-GFCCVEGCSA-N 1 2 394.331 2.339 20 0 GEADLO COCCC[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785530629 653711668 /nfs/dbraw/zinc/71/16/68/653711668.db2.gz ZSHQISZSLUVBLW-UHFFFAOYSA-N 1 2 394.331 2.341 20 0 GEADLO COCCC[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785530629 653711671 /nfs/dbraw/zinc/71/16/71/653711671.db2.gz ZSHQISZSLUVBLW-UHFFFAOYSA-N 1 2 394.331 2.341 20 0 GEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1sccc1Cl ZINC000785912993 653716742 /nfs/dbraw/zinc/71/67/42/653716742.db2.gz FNXFZAUSFIHICU-AWEZNQCLSA-N 1 2 386.901 2.158 20 0 GEADLO C[C@H](Cc1ccccc1)NC(=S)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000786069111 653718414 /nfs/dbraw/zinc/71/84/14/653718414.db2.gz PPFOKMVGCQUFJG-APWZRJJASA-N 1 2 379.595 2.290 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)CCc3cn[nH]c3)cc2Br)CC1 ZINC000863909275 653722098 /nfs/dbraw/zinc/72/20/98/653722098.db2.gz SZHNCRKXDJZKRW-UHFFFAOYSA-N 1 2 392.301 2.495 20 0 GEADLO O=C(CSCC(F)(F)F)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000786453604 653722748 /nfs/dbraw/zinc/72/27/48/653722748.db2.gz VVZUSSBGSOWARO-UHFFFAOYSA-N 1 2 396.456 2.231 20 0 GEADLO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cccc2scnc21 ZINC000841505468 653722930 /nfs/dbraw/zinc/72/29/30/653722930.db2.gz HMHVKGUDAKDESH-ZIAGYGMSSA-N 1 2 381.523 2.218 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)[C@H](C)C1 ZINC000841516201 653724948 /nfs/dbraw/zinc/72/49/48/653724948.db2.gz QASKMYANELXAKN-GHMZBOCLSA-N 1 2 389.930 2.025 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)[C@H](C)C1 ZINC000841516201 653724951 /nfs/dbraw/zinc/72/49/51/653724951.db2.gz QASKMYANELXAKN-GHMZBOCLSA-N 1 2 389.930 2.025 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@H+](CC)C[C@H]2C)c(F)cc1Cl ZINC000841522176 653726502 /nfs/dbraw/zinc/72/65/02/653726502.db2.gz YCIXPCNCANFJJT-LLVKDONJSA-N 1 2 392.880 2.371 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](CC)C[C@H]2C)c(F)cc1Cl ZINC000841522176 653726503 /nfs/dbraw/zinc/72/65/03/653726503.db2.gz YCIXPCNCANFJJT-LLVKDONJSA-N 1 2 392.880 2.371 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)N[C@H]1COc2cccc(Br)c2C1 ZINC000864423952 653735665 /nfs/dbraw/zinc/73/56/65/653735665.db2.gz QGMGBBSDXMXKQU-GFCCVEGCSA-N 1 2 379.258 2.339 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3COC(=O)C3)cc2Br)CC1 ZINC000787381100 653737926 /nfs/dbraw/zinc/73/79/26/653737926.db2.gz DYNVKVMXWLCYAE-LBPRGKRZSA-N 1 2 396.285 2.093 20 0 GEADLO Cn1cnc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1 ZINC000787534242 653739700 /nfs/dbraw/zinc/73/97/00/653739700.db2.gz VLOXWHMCEKBCAP-UHFFFAOYSA-N 1 2 378.274 2.187 20 0 GEADLO CNC(=O)C[NH+]1CCC(Nc2ccc([S@](=N)(=O)C(F)(F)F)cc2)CC1 ZINC000881799094 653740286 /nfs/dbraw/zinc/74/02/86/653740286.db2.gz XSXQBYJTSIRJHL-VWLOTQADSA-N 1 2 378.420 2.234 20 0 GEADLO O=C(c1nc(Br)sc1Cl)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000864537321 653740657 /nfs/dbraw/zinc/74/06/57/653740657.db2.gz ZQJLDMVJTVSVGW-VIFPVBQESA-N 1 2 394.722 2.496 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccon3)cc2Br)CC1 ZINC000787670527 653741996 /nfs/dbraw/zinc/74/19/96/653741996.db2.gz NUOJQMVLXGZMKX-UHFFFAOYSA-N 1 2 379.258 2.370 20 0 GEADLO NC(=O)C[NH+]1CCC(Nc2nc(C(F)(F)F)c(Br)s2)CC1 ZINC000842025039 653743786 /nfs/dbraw/zinc/74/37/86/653743786.db2.gz VWINIHGVVYMFCX-UHFFFAOYSA-N 1 2 387.225 2.286 20 0 GEADLO CCCN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787881466 653745314 /nfs/dbraw/zinc/74/53/14/653745314.db2.gz HMZIEEABGNRHSP-UHFFFAOYSA-N 1 2 397.317 2.008 20 0 GEADLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864827251 653746189 /nfs/dbraw/zinc/74/61/89/653746189.db2.gz FFCCCSQPTTVURQ-UONOGXRCSA-N 1 2 383.235 2.380 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc3sc(C)cc23)CC1 ZINC000864839937 653746553 /nfs/dbraw/zinc/74/65/53/653746553.db2.gz MJMPOHUBRCZDCH-UHFFFAOYSA-N 1 2 379.551 2.484 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc3sc(C)cc23)CC1 ZINC000864839937 653746556 /nfs/dbraw/zinc/74/65/56/653746556.db2.gz MJMPOHUBRCZDCH-UHFFFAOYSA-N 1 2 379.551 2.484 20 0 GEADLO C[Si](C)(C)c1ccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000788020864 653747669 /nfs/dbraw/zinc/74/76/69/653747669.db2.gz JFRMNBVWJGDWFA-QZTJIDSGSA-N 1 2 381.614 2.400 20 0 GEADLO C[Si](C)(C)c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000788020864 653747673 /nfs/dbraw/zinc/74/76/73/653747673.db2.gz JFRMNBVWJGDWFA-QZTJIDSGSA-N 1 2 381.614 2.400 20 0 GEADLO CC(C)[NH+]1CC(NC(=O)c2nc(Br)ccc2Br)C1 ZINC000788156533 653751049 /nfs/dbraw/zinc/75/10/49/653751049.db2.gz ZUNFNBPVMCXRGG-UHFFFAOYSA-N 1 2 377.080 2.429 20 0 GEADLO O=c1c(Br)c(N2CC[NH+](C3CCC3)CC2)cnn1CC(F)(F)F ZINC000881982473 653754784 /nfs/dbraw/zinc/75/47/84/653754784.db2.gz YKZXLMYNSGQACB-UHFFFAOYSA-N 1 2 395.223 2.243 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1Cl ZINC000788649632 653761804 /nfs/dbraw/zinc/76/18/04/653761804.db2.gz LFLIUYMUWKSTOD-PSASIEDQSA-N 1 2 392.930 2.400 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1Cl ZINC000788649632 653761805 /nfs/dbraw/zinc/76/18/05/653761805.db2.gz LFLIUYMUWKSTOD-PSASIEDQSA-N 1 2 392.930 2.400 20 0 GEADLO Cn1c(Cl)ncc1S(=O)(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788703777 653763644 /nfs/dbraw/zinc/76/36/44/653763644.db2.gz TYQMBBLODCHGMT-UHFFFAOYSA-N 1 2 383.905 2.175 20 0 GEADLO CC(C)([NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)c1nccs1 ZINC000819987701 653764413 /nfs/dbraw/zinc/76/44/13/653764413.db2.gz HDFPKADWVDIDPO-UHFFFAOYSA-N 1 2 377.861 2.440 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)C1 ZINC000882132427 653764683 /nfs/dbraw/zinc/76/46/83/653764683.db2.gz CQRBYEONMDWJAA-SHACYNPGSA-N 1 2 388.559 2.275 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+]Cc3nccc(C)c3Br)C2=O)n(C)n1 ZINC000865478761 653766422 /nfs/dbraw/zinc/76/64/22/653766422.db2.gz OCWASJUZMMNHRO-LBPRGKRZSA-N 1 2 378.274 2.090 20 0 GEADLO CCCn1cc(C[NH2+]CC(=O)Nc2ccc(I)cc2)nn1 ZINC000865557931 653768341 /nfs/dbraw/zinc/76/83/41/653768341.db2.gz KSGFQBVEAYBEDZ-UHFFFAOYSA-N 1 2 399.236 2.021 20 0 GEADLO C[C@@](CO)([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1ccc(Br)cc1 ZINC000865564494 653768548 /nfs/dbraw/zinc/76/85/48/653768548.db2.gz GAHZVNRIVYGDJW-IRXDYDNUSA-N 1 2 395.301 2.217 20 0 GEADLO CSC1(CNS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC[NH+](C)CC1 ZINC000882207429 653769579 /nfs/dbraw/zinc/76/95/79/653769579.db2.gz UULZDHPLILUQMH-QHCPKHFHSA-N 1 2 397.632 2.079 20 0 GEADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000842852222 653770553 /nfs/dbraw/zinc/77/05/53/653770553.db2.gz KTOHROYNOZJJIS-GFCCVEGCSA-N 1 2 397.913 2.018 20 0 GEADLO CCn1ncc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1Br ZINC000820361603 653773151 /nfs/dbraw/zinc/77/31/51/653773151.db2.gz UOTOJYYXDWYQMY-UHFFFAOYSA-N 1 2 379.249 2.467 20 0 GEADLO CCn1ncc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1Br ZINC000820361603 653773152 /nfs/dbraw/zinc/77/31/52/653773152.db2.gz UOTOJYYXDWYQMY-UHFFFAOYSA-N 1 2 379.249 2.467 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc(N)nc(Br)c2)CC1 ZINC000820361659 653773169 /nfs/dbraw/zinc/77/31/69/653773169.db2.gz WBCFZOHHBOODIX-UHFFFAOYSA-N 1 2 377.233 2.228 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc(N)nc(Br)c2)CC1 ZINC000820361659 653773170 /nfs/dbraw/zinc/77/31/70/653773170.db2.gz WBCFZOHHBOODIX-UHFFFAOYSA-N 1 2 377.233 2.228 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)Cc1cscc1Br ZINC000842963523 653774829 /nfs/dbraw/zinc/77/48/29/653774829.db2.gz JGJVVEPNLUJLGI-AAEUAGOBSA-N 1 2 392.315 2.332 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)Cc1cscc1Br ZINC000842963523 653774830 /nfs/dbraw/zinc/77/48/30/653774830.db2.gz JGJVVEPNLUJLGI-AAEUAGOBSA-N 1 2 392.315 2.332 20 0 GEADLO CC(=O)N[C@H](C(=O)NCCCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000865804545 653775703 /nfs/dbraw/zinc/77/57/03/653775703.db2.gz AHTZBVGPMMKNTI-INIZCTEOSA-N 1 2 393.285 2.419 20 0 GEADLO O=c1[nH]c(C[NH2+]Cc2cc(Br)cc3c2OCC3)nc2c1COCC2 ZINC000865866448 653777639 /nfs/dbraw/zinc/77/76/39/653777639.db2.gz LBIKAMHFAHRWTI-UHFFFAOYSA-N 1 2 392.253 2.242 20 0 GEADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc(Br)no1 ZINC000865897035 653779071 /nfs/dbraw/zinc/77/90/71/653779071.db2.gz VVFBMVPOBATANX-UHFFFAOYSA-N 1 2 380.242 2.199 20 0 GEADLO COCC[NH2+]Cc1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000843200834 653781212 /nfs/dbraw/zinc/78/12/12/653781212.db2.gz SXGXVRHYCFSSRA-UHFFFAOYSA-N 1 2 380.253 2.086 20 0 GEADLO Cc1cc2c(CC(=O)N3CC[NH+](CCn4cncn4)CC3)csc2s1 ZINC000866015089 653783310 /nfs/dbraw/zinc/78/33/10/653783310.db2.gz KFWWFRMKSDJIGN-UHFFFAOYSA-N 1 2 375.523 2.250 20 0 GEADLO C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866101458 653785908 /nfs/dbraw/zinc/78/59/08/653785908.db2.gz MVJJAUOYMDQLKA-LRDDRELGSA-N 1 2 393.285 2.111 20 0 GEADLO COc1cc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Br ZINC000790129088 653787084 /nfs/dbraw/zinc/78/70/84/653787084.db2.gz VYXCNEXOZDKXJF-TXEJJXNPSA-N 1 2 386.290 2.034 20 0 GEADLO COc1cc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Br ZINC000790129088 653787085 /nfs/dbraw/zinc/78/70/85/653787085.db2.gz VYXCNEXOZDKXJF-TXEJJXNPSA-N 1 2 386.290 2.034 20 0 GEADLO CN1C(=O)[C@H]2CN(c3cc[nH+]c4cc(F)c(Br)cc43)C[C@H]2C1=O ZINC000866164482 653787680 /nfs/dbraw/zinc/78/76/80/653787680.db2.gz WTDLRKIHLHEMOU-AOOOYVTPSA-N 1 2 378.201 2.187 20 0 GEADLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(Br)cn3)[nH+]cn2)C1 ZINC000866193449 653788501 /nfs/dbraw/zinc/78/85/01/653788501.db2.gz MHGGSTRECUUVNU-VXGBXAGGSA-N 1 2 378.274 2.453 20 0 GEADLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(Br)cn3)nc[nH+]2)C1 ZINC000866193449 653788503 /nfs/dbraw/zinc/78/85/03/653788503.db2.gz MHGGSTRECUUVNU-VXGBXAGGSA-N 1 2 378.274 2.453 20 0 GEADLO C[NH+](C)C1CCN(CCNC(=O)c2cc(Br)cc(F)c2O)CC1 ZINC000866351846 653791293 /nfs/dbraw/zinc/79/12/93/653791293.db2.gz FDAZYCDJSWVXTA-UHFFFAOYSA-N 1 2 388.281 2.050 20 0 GEADLO COC(=O)c1ccoc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000866408791 653793603 /nfs/dbraw/zinc/79/36/03/653793603.db2.gz DVVPKSWPBCJUQL-CYBMUJFWSA-N 1 2 384.479 2.243 20 0 GEADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cnc(Br)n1 ZINC000821368605 653796167 /nfs/dbraw/zinc/79/61/67/653796167.db2.gz PJHPJDHURNAWLJ-LBPRGKRZSA-N 1 2 388.310 2.420 20 0 GEADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CCn1cnc(Br)n1 ZINC000821368605 653796168 /nfs/dbraw/zinc/79/61/68/653796168.db2.gz PJHPJDHURNAWLJ-LBPRGKRZSA-N 1 2 388.310 2.420 20 0 GEADLO C[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc(I)cc1 ZINC000821385266 653796826 /nfs/dbraw/zinc/79/68/26/653796826.db2.gz JZJVYARJESUKQO-GWCFXTLKSA-N 1 2 381.217 2.332 20 0 GEADLO Cc1nc(CS(=O)(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)cs1 ZINC000882734665 653801150 /nfs/dbraw/zinc/80/11/50/653801150.db2.gz HMFYOXYIKVRCIG-UHFFFAOYSA-N 1 2 375.560 2.104 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2C1 ZINC000791028103 653802678 /nfs/dbraw/zinc/80/26/78/653802678.db2.gz OHXDFHXPOWZWJQ-UHFFFAOYSA-N 1 2 379.247 2.484 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2C1 ZINC000791028103 653802681 /nfs/dbraw/zinc/80/26/81/653802681.db2.gz OHXDFHXPOWZWJQ-UHFFFAOYSA-N 1 2 379.247 2.484 20 0 GEADLO Cc1cccc(OS(=O)(=O)CCC[NH+]2CCN(C)CC2)c1Br ZINC000882816831 653811403 /nfs/dbraw/zinc/81/14/03/653811403.db2.gz CMTAINKPVQGXNG-UHFFFAOYSA-N 1 2 391.331 2.104 20 0 GEADLO O=S(=O)(CCOCC(F)(F)F)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882837233 653812831 /nfs/dbraw/zinc/81/28/31/653812831.db2.gz CBEUFIBACNPWPW-AWEZNQCLSA-N 1 2 377.388 2.123 20 0 GEADLO Nc1cc(COC(=O)CCNC(=O)c2ccc(Br)cc2)cc[nH+]1 ZINC000791521817 653816600 /nfs/dbraw/zinc/81/66/00/653816600.db2.gz SXDGTZSSUJIHSD-UHFFFAOYSA-N 1 2 378.226 2.290 20 0 GEADLO COc1ccc(C(=O)OCc2cc[nH+]c(N)c2)nc1I ZINC000792085843 653834309 /nfs/dbraw/zinc/83/43/09/653834309.db2.gz DHKGFEIVXSVETD-UHFFFAOYSA-N 1 2 385.161 2.029 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NC(C)(C)C[NH+]2CCOCC2)n1 ZINC000822710207 653837481 /nfs/dbraw/zinc/83/74/81/653837481.db2.gz JVICLUKEHHNURW-UHFFFAOYSA-N 1 2 385.306 2.203 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)c3nn4c(c3Br)CCC4)sc2C1 ZINC000895482955 653837715 /nfs/dbraw/zinc/83/77/15/653837715.db2.gz JKMUSZYVKXNSAA-UHFFFAOYSA-N 1 2 382.287 2.289 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)c3nn4c(c3Br)CCC4)sc2C1 ZINC000895482955 653837717 /nfs/dbraw/zinc/83/77/17/653837717.db2.gz JKMUSZYVKXNSAA-UHFFFAOYSA-N 1 2 382.287 2.289 20 0 GEADLO C[NH+](C)Cc1csc(CNc2ncnc3ccc(S(C)(=O)=O)cc32)n1 ZINC000895481242 653837748 /nfs/dbraw/zinc/83/77/48/653837748.db2.gz SUSDOFBXYPABRX-UHFFFAOYSA-N 1 2 377.495 2.164 20 0 GEADLO O=S1(=O)Cc2ccccc2[C@@H]([NH2+]Cc2ncc(Br)cc2O)C1 ZINC000895516037 653839067 /nfs/dbraw/zinc/83/90/67/653839067.db2.gz ZDIBXNQVVMNDEP-AWEZNQCLSA-N 1 2 383.267 2.309 20 0 GEADLO CC(C)(C)OCCC[NH+]1CCN(C(=O)NCC[S@@](=O)C(C)(C)C)CC1 ZINC000883423741 653839544 /nfs/dbraw/zinc/83/95/44/653839544.db2.gz UHEDKWKEVAKZML-RUZDIDTESA-N 1 2 375.579 2.066 20 0 GEADLO Cc1nc(CN2CCC(c3nnc4n3CC[NH2+]C4)CC2)sc1Br ZINC000883430217 653839874 /nfs/dbraw/zinc/83/98/74/653839874.db2.gz PPIJJPNVEIRDKC-UHFFFAOYSA-N 1 2 397.346 2.288 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000866898253 653845671 /nfs/dbraw/zinc/84/56/71/653845671.db2.gz RIBOVVFQPWIVRR-INIZCTEOSA-N 1 2 385.555 2.089 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000866898253 653845673 /nfs/dbraw/zinc/84/56/73/653845673.db2.gz RIBOVVFQPWIVRR-INIZCTEOSA-N 1 2 385.555 2.089 20 0 GEADLO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)N=S1(=O)CCCC1 ZINC000866906676 653847782 /nfs/dbraw/zinc/84/77/82/653847782.db2.gz XWLAGBBIJDLCTR-MRXNPFEDSA-N 1 2 385.555 2.089 20 0 GEADLO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)N=S1(=O)CCCC1 ZINC000866906676 653847786 /nfs/dbraw/zinc/84/77/86/653847786.db2.gz XWLAGBBIJDLCTR-MRXNPFEDSA-N 1 2 385.555 2.089 20 0 GEADLO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](C[C@H]2C[C@@]2(C)Br)CCO1 ZINC000895763158 653849235 /nfs/dbraw/zinc/84/92/35/653849235.db2.gz ZYMXNMKVUODBGZ-WQVCFCJDSA-N 1 2 378.307 2.219 20 0 GEADLO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](C[C@H]2C[C@@]2(C)Br)CCO1 ZINC000895763158 653849244 /nfs/dbraw/zinc/84/92/44/653849244.db2.gz ZYMXNMKVUODBGZ-WQVCFCJDSA-N 1 2 378.307 2.219 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1F ZINC000866941155 653852626 /nfs/dbraw/zinc/85/26/26/653852626.db2.gz BIUOKSJSWXTWQW-FNODVLLQSA-N 1 2 386.474 2.130 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000866958798 653855464 /nfs/dbraw/zinc/85/54/64/653855464.db2.gz OWHGAHXOPUPVON-OZYPNJIESA-N 1 2 382.511 2.168 20 0 GEADLO C[C@H](NC(=O)[C@H]1CCc2cc(Br)ccc21)[C@H]1CN(C)CC[N@@H+]1C ZINC000896532175 653882517 /nfs/dbraw/zinc/88/25/17/653882517.db2.gz AIOKOTIUXJYUTH-AFAVFJNCSA-N 1 2 380.330 2.229 20 0 GEADLO C[C@H](NC(=O)[C@H]1CCc2cc(Br)ccc21)[C@H]1CN(C)CC[N@H+]1C ZINC000896532175 653882520 /nfs/dbraw/zinc/88/25/20/653882520.db2.gz AIOKOTIUXJYUTH-AFAVFJNCSA-N 1 2 380.330 2.229 20 0 GEADLO C[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)[C@H]1CN(C)CC[N@@H+]1C ZINC000896537438 653883222 /nfs/dbraw/zinc/88/32/22/653883222.db2.gz YQEPMKBUBRVKAG-DUVNUKRYSA-N 1 2 396.329 2.066 20 0 GEADLO C[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)[C@H]1CN(C)CC[N@H+]1C ZINC000896537438 653883224 /nfs/dbraw/zinc/88/32/24/653883224.db2.gz YQEPMKBUBRVKAG-DUVNUKRYSA-N 1 2 396.329 2.066 20 0 GEADLO Cc1ccc(Br)c(CS(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000867128635 653884169 /nfs/dbraw/zinc/88/41/69/653884169.db2.gz AILGIVKHPFFJIK-CYBMUJFWSA-N 1 2 384.299 2.388 20 0 GEADLO CS(=O)(=O)C[C@@H]1CN(c2[nH+]ccc3cc(Br)ccc32)CCO1 ZINC000896879342 653897970 /nfs/dbraw/zinc/89/79/70/653897970.db2.gz SQEMGROZSVSAHF-ZDUSSCGKSA-N 1 2 385.283 2.247 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000867234985 653900212 /nfs/dbraw/zinc/90/02/12/653900212.db2.gz PDWPIUDNKQMXMZ-UPCLLVRISA-N 1 2 387.571 2.239 20 0 GEADLO CC[S@@](C)(=O)=NS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000867234985 653900216 /nfs/dbraw/zinc/90/02/16/653900216.db2.gz PDWPIUDNKQMXMZ-UPCLLVRISA-N 1 2 387.571 2.239 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3ncc(C4OCCO4)s3)C2)s1 ZINC000896971479 653900924 /nfs/dbraw/zinc/90/09/24/653900924.db2.gz UVUUUVQRAWWZQU-SNVBAGLBSA-N 1 2 381.479 2.421 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3ncc(C4OCCO4)s3)C2)s1 ZINC000896971479 653900927 /nfs/dbraw/zinc/90/09/27/653900927.db2.gz UVUUUVQRAWWZQU-SNVBAGLBSA-N 1 2 381.479 2.421 20 0 GEADLO O=S(=O)(NCc1c[nH+]c2n1CCCC2)c1cc2nc(Cl)ncc2s1 ZINC000867244266 653902044 /nfs/dbraw/zinc/90/20/44/653902044.db2.gz PEKKKNWILNNQFQ-UHFFFAOYSA-N 1 2 383.886 2.356 20 0 GEADLO Cc1cnc(Cl)c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000884976109 653902484 /nfs/dbraw/zinc/90/24/84/653902484.db2.gz KLGGXQPZNUZSJS-RBSFLKMASA-N 1 2 387.933 2.306 20 0 GEADLO Cc1c(Br)cc(-c2noc(C[N@H+](C)[C@H]3CCSC3)n2)c(=O)n1C ZINC000896999129 653902928 /nfs/dbraw/zinc/90/29/28/653902928.db2.gz HYGKXRDTYSLUMH-JTQLQIEISA-N 1 2 399.314 2.444 20 0 GEADLO Cc1c(Br)cc(-c2noc(C[N@@H+](C)[C@H]3CCSC3)n2)c(=O)n1C ZINC000896999129 653902932 /nfs/dbraw/zinc/90/29/32/653902932.db2.gz HYGKXRDTYSLUMH-JTQLQIEISA-N 1 2 399.314 2.444 20 0 GEADLO COc1nsc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c1Br ZINC000897020860 653904018 /nfs/dbraw/zinc/90/40/18/653904018.db2.gz MLRBMVXHXLGOOP-SECBINFHSA-N 1 2 376.276 2.235 20 0 GEADLO O=C1N[C@@H](C2CC[NH+](Cc3nc4ccccn4c3Br)CC2)CO1 ZINC000897025036 653904294 /nfs/dbraw/zinc/90/42/94/653904294.db2.gz URFBQAWJSZLSHK-CYBMUJFWSA-N 1 2 379.258 2.417 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)cc1Cl ZINC000897037501 653904696 /nfs/dbraw/zinc/90/46/96/653904696.db2.gz OJMQARAKKATDJF-UHFFFAOYSA-N 1 2 386.823 2.124 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000897048697 653905072 /nfs/dbraw/zinc/90/50/72/653905072.db2.gz VTDPKKZTFXVTKY-OAHLLOKOSA-N 1 2 392.253 2.276 20 0 GEADLO Cn1nnc(Br)c1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000846656866 653905894 /nfs/dbraw/zinc/90/58/94/653905894.db2.gz ZFCOPOGSQZWAGW-XYPYZODXSA-N 1 2 379.262 2.126 20 0 GEADLO NC(=O)c1cc(OC2CC[NH+](Cc3cccc(Br)n3)CC2)ccn1 ZINC000794462072 653908971 /nfs/dbraw/zinc/90/89/71/653908971.db2.gz KUJUXXNNGJNRGV-UHFFFAOYSA-N 1 2 391.269 2.381 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(S(C)(=O)=O)ncc2Cl)c1C ZINC000824814354 653909272 /nfs/dbraw/zinc/90/92/72/653909272.db2.gz QBCSJVGUQONAGF-UHFFFAOYSA-N 1 2 383.857 2.089 20 0 GEADLO Cn1ncc(Br)c1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824838821 653909895 /nfs/dbraw/zinc/90/98/95/653909895.db2.gz SKAOMDHQJPNRLD-VHSXEESVSA-N 1 2 395.223 2.025 20 0 GEADLO Cn1ncc(Br)c1C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824838821 653909898 /nfs/dbraw/zinc/90/98/98/653909898.db2.gz SKAOMDHQJPNRLD-VHSXEESVSA-N 1 2 395.223 2.025 20 0 GEADLO COCCS(=O)(=O)CCC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000846917636 653912883 /nfs/dbraw/zinc/91/28/83/653912883.db2.gz NNSMTSGWBOHFCM-UHFFFAOYSA-N 1 2 376.906 2.030 20 0 GEADLO CCc1nn(C)c(Cl)c1C[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000897274850 653913723 /nfs/dbraw/zinc/91/37/23/653913723.db2.gz XHPOTLKTBZIYCZ-UHFFFAOYSA-N 1 2 388.965 2.416 20 0 GEADLO O=C(c1cccc(Br)n1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825099655 653917657 /nfs/dbraw/zinc/91/76/57/653917657.db2.gz CEUWGCLOLUTPBA-UHFFFAOYSA-N 1 2 375.270 2.240 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2ccc(C(F)(F)Br)nc2)CCO1 ZINC000825186160 653919923 /nfs/dbraw/zinc/91/99/23/653919923.db2.gz XJTALTMCPMQXPG-UHFFFAOYSA-N 1 2 392.244 2.366 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(C(F)(F)Br)nc2)CCO1 ZINC000825186160 653919925 /nfs/dbraw/zinc/91/99/25/653919925.db2.gz XJTALTMCPMQXPG-UHFFFAOYSA-N 1 2 392.244 2.366 20 0 GEADLO CC(C)(C)OC(=O)NOCCC[NH2+]Cc1ncc(Br)cc1O ZINC000897425418 653921425 /nfs/dbraw/zinc/92/14/25/653921425.db2.gz RWRLIICSLSYOGN-UHFFFAOYSA-N 1 2 376.251 2.486 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCCc1ccc(Br)cc1 ZINC000897444777 653921915 /nfs/dbraw/zinc/92/19/15/653921915.db2.gz RFICITHPEPGSRQ-OAHLLOKOSA-N 1 2 394.269 2.326 20 0 GEADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000867433204 653932243 /nfs/dbraw/zinc/93/22/43/653932243.db2.gz MYRZATCYTPHVDV-YUTCNCBUSA-N 1 2 378.416 2.300 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)N(C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867449354 653933669 /nfs/dbraw/zinc/93/36/69/653933669.db2.gz RRFHGTZWYUZFNM-OSPHWJPCSA-N 1 2 387.571 2.334 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000867449354 653933670 /nfs/dbraw/zinc/93/36/70/653933670.db2.gz RRFHGTZWYUZFNM-OSPHWJPCSA-N 1 2 387.571 2.334 20 0 GEADLO C[C@H]1C[C@H](NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000847556794 653934096 /nfs/dbraw/zinc/93/40/96/653934096.db2.gz IRJXXTVTEIQYEE-QWRGUYRKSA-N 1 2 376.400 2.335 20 0 GEADLO C[C@H]1C[C@H](NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C[N@H+]1C1CC1 ZINC000847556794 653934097 /nfs/dbraw/zinc/93/40/97/653934097.db2.gz IRJXXTVTEIQYEE-QWRGUYRKSA-N 1 2 376.400 2.335 20 0 GEADLO Cc1nc(Cl)c(Cl)cc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000847572417 653935373 /nfs/dbraw/zinc/93/53/73/653935373.db2.gz GYOZEMCFXAOGQN-CYBMUJFWSA-N 1 2 388.295 2.260 20 0 GEADLO Cc1ccc(I)cc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867484149 653938823 /nfs/dbraw/zinc/93/88/23/653938823.db2.gz AQAMKWPJDYLFIM-NSCUHMNNSA-N 1 2 386.233 2.427 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1F ZINC000867487353 653939316 /nfs/dbraw/zinc/93/93/16/653939316.db2.gz IJFCAEGBIRBWBI-ZEUIUJOJSA-N 1 2 389.518 2.134 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1F ZINC000867487353 653939318 /nfs/dbraw/zinc/93/93/18/653939318.db2.gz IJFCAEGBIRBWBI-ZEUIUJOJSA-N 1 2 389.518 2.134 20 0 GEADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H](O)c2ccccc2Br)[nH]n1 ZINC000897942188 653945320 /nfs/dbraw/zinc/94/53/20/653945320.db2.gz GJKBISOCCOWJBX-CVEARBPZSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H](O)c2ccccc2Br)[nH]n1 ZINC000897942188 653945326 /nfs/dbraw/zinc/94/53/26/653945326.db2.gz GJKBISOCCOWJBX-CVEARBPZSA-N 1 2 393.285 2.402 20 0 GEADLO COC(=O)c1oc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)cc1C ZINC000897977912 653946945 /nfs/dbraw/zinc/94/69/45/653946945.db2.gz IHBXHIBSCVFCKB-LBPRGKRZSA-N 1 2 394.225 2.185 20 0 GEADLO CCOC(=O)c1ccc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)o1 ZINC000897977746 653946962 /nfs/dbraw/zinc/94/69/62/653946962.db2.gz JGQLEBCZXFFIKG-LBPRGKRZSA-N 1 2 394.225 2.267 20 0 GEADLO COC(=O)c1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(Br)c1 ZINC000847858544 653949285 /nfs/dbraw/zinc/94/92/85/653949285.db2.gz UOTXRHZYFKEPAY-JTQLQIEISA-N 1 2 380.242 2.454 20 0 GEADLO COC(=O)c1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(Br)c1 ZINC000847858544 653949287 /nfs/dbraw/zinc/94/92/87/653949287.db2.gz UOTXRHZYFKEPAY-JTQLQIEISA-N 1 2 380.242 2.454 20 0 GEADLO C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000826571995 653953628 /nfs/dbraw/zinc/95/36/28/653953628.db2.gz MRTXOHFOAJATIE-VXGBXAGGSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000848025648 653955887 /nfs/dbraw/zinc/95/58/87/653955887.db2.gz YPZUOMNYDRGUSI-JTQLQIEISA-N 1 2 399.314 2.318 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000848025648 653955890 /nfs/dbraw/zinc/95/58/90/653955890.db2.gz YPZUOMNYDRGUSI-JTQLQIEISA-N 1 2 399.314 2.318 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1CN1Cc2ccc(Br)cc2C1=O ZINC000795687306 653963067 /nfs/dbraw/zinc/96/30/67/653963067.db2.gz BOTGNXABEQWFLA-BBRMVZONSA-N 1 2 394.313 2.157 20 0 GEADLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CN1Cc2ccc(Br)cc2C1=O ZINC000795687306 653963070 /nfs/dbraw/zinc/96/30/70/653963070.db2.gz BOTGNXABEQWFLA-BBRMVZONSA-N 1 2 394.313 2.157 20 0 GEADLO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CN1Cc2ccc(Br)cc2C1=O ZINC000795687306 653963075 /nfs/dbraw/zinc/96/30/75/653963075.db2.gz BOTGNXABEQWFLA-BBRMVZONSA-N 1 2 394.313 2.157 20 0 GEADLO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CCF)C2)CC1(Br)Br ZINC000898506642 653974333 /nfs/dbraw/zinc/97/43/33/653974333.db2.gz GBOKGNFQECWDCK-ONGXEEELSA-N 1 2 386.103 2.433 20 0 GEADLO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)CC1(Br)Br ZINC000898506642 653974337 /nfs/dbraw/zinc/97/43/37/653974337.db2.gz GBOKGNFQECWDCK-ONGXEEELSA-N 1 2 386.103 2.433 20 0 GEADLO CC(C)(CNC(=O)Cn1c(Cl)c(Cl)cc(Cl)c1=O)[NH+]1CCOCC1 ZINC000848441793 653976448 /nfs/dbraw/zinc/97/64/48/653976448.db2.gz VXKLGUPAYQHNHL-UHFFFAOYSA-N 1 2 396.702 2.036 20 0 GEADLO Cc1nsc(C)c1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000795949028 653979804 /nfs/dbraw/zinc/97/98/04/653979804.db2.gz WLDUHOBQKQOSFJ-UHFFFAOYSA-N 1 2 379.507 2.323 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)Nc2ccncc2Br)C1 ZINC000886399029 653980688 /nfs/dbraw/zinc/98/06/88/653980688.db2.gz CEVOWYFMZIWPFR-UHFFFAOYSA-N 1 2 382.283 2.055 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)Nc2ccncc2Br)C1 ZINC000886399029 653980695 /nfs/dbraw/zinc/98/06/95/653980695.db2.gz CEVOWYFMZIWPFR-UHFFFAOYSA-N 1 2 382.283 2.055 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccncc2Br)C1 ZINC000886419545 653984289 /nfs/dbraw/zinc/98/42/89/653984289.db2.gz ARCCHIPGSQTNRS-UHFFFAOYSA-N 1 2 396.310 2.311 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccncc2Br)C1 ZINC000886419545 653984291 /nfs/dbraw/zinc/98/42/91/653984291.db2.gz ARCCHIPGSQTNRS-UHFFFAOYSA-N 1 2 396.310 2.311 20 0 GEADLO COC(=O)[C@](C)(NC(=O)CCc1[nH]cc[nH+]1)c1cccc(Br)c1 ZINC000886434629 653985563 /nfs/dbraw/zinc/98/55/63/653985563.db2.gz LAJRFHVVUMOOTA-MRXNPFEDSA-N 1 2 380.242 2.309 20 0 GEADLO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848515940 653986087 /nfs/dbraw/zinc/98/60/87/653986087.db2.gz VNYPIERNMVBAES-LBPRGKRZSA-N 1 2 394.324 2.264 20 0 GEADLO COc1cc(I)ccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000898809792 653987149 /nfs/dbraw/zinc/98/71/49/653987149.db2.gz FHWJXKZTQCIHDO-LLVKDONJSA-N 1 2 383.189 2.371 20 0 GEADLO CC[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000886468517 653988331 /nfs/dbraw/zinc/98/83/31/653988331.db2.gz DWXMTAXZWGZBRB-NSHDSACASA-N 1 2 375.878 2.233 20 0 GEADLO CC[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000886468517 653988336 /nfs/dbraw/zinc/98/83/36/653988336.db2.gz DWXMTAXZWGZBRB-NSHDSACASA-N 1 2 375.878 2.233 20 0 GEADLO Cc1ccc(O[C@H](C)C(=O)N[C@H](CO)c2c[nH+]cn2C)c(Br)c1 ZINC000898883494 653990572 /nfs/dbraw/zinc/99/05/72/653990572.db2.gz JWCYOHBPZGMYPA-DGCLKSJQSA-N 1 2 382.258 2.108 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)n1 ZINC000848678006 653990885 /nfs/dbraw/zinc/99/08/85/653990885.db2.gz HHUOUUMXAAGGHB-HNNXBMFYSA-N 1 2 386.269 2.327 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000898890910 653990925 /nfs/dbraw/zinc/99/09/25/653990925.db2.gz DQKUQPUSDKRXRT-ZDUSSCGKSA-N 1 2 382.258 2.190 20 0 GEADLO C[NH+]1CCN(C2CCN(C(=O)Cc3ccc(Br)c(F)c3)CC2)CC1 ZINC000827449322 653992306 /nfs/dbraw/zinc/99/23/06/653992306.db2.gz DHRYBOOOFOAYSC-UHFFFAOYSA-N 1 2 398.320 2.369 20 0 GEADLO O=C(C[N@@H+]1CCC[C@H](c2ncccn2)C1)Nc1ccc(Br)cn1 ZINC000886682299 653994290 /nfs/dbraw/zinc/99/42/90/653994290.db2.gz DWTFEPVGDAYERG-LBPRGKRZSA-N 1 2 376.258 2.452 20 0 GEADLO O=C(C[N@H+]1CCC[C@H](c2ncccn2)C1)Nc1ccc(Br)cn1 ZINC000886682299 653994291 /nfs/dbraw/zinc/99/42/91/653994291.db2.gz DWTFEPVGDAYERG-LBPRGKRZSA-N 1 2 376.258 2.452 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cc(Cl)ccc1OC(F)F ZINC000899059903 653997937 /nfs/dbraw/zinc/99/79/37/653997937.db2.gz WGFQFXFWGQIDNJ-UHFFFAOYSA-N 1 2 376.787 2.120 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cc(Cl)ccc1OC(F)F ZINC000899059903 653997939 /nfs/dbraw/zinc/99/79/39/653997939.db2.gz WGFQFXFWGQIDNJ-UHFFFAOYSA-N 1 2 376.787 2.120 20 0 GEADLO Cc1nc(SCC(C)C)sc1CC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000827579879 653998432 /nfs/dbraw/zinc/99/84/32/653998432.db2.gz KGGAGMVGJHSIHZ-CQSZACIVSA-N 1 2 384.615 2.494 20 0 GEADLO Cc1nc(SCC(C)C)sc1CC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000827579878 653998499 /nfs/dbraw/zinc/99/84/99/653998499.db2.gz KGGAGMVGJHSIHZ-AWEZNQCLSA-N 1 2 384.615 2.494 20 0 GEADLO Cc1cc(Br)cc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1C ZINC000899064413 653998387 /nfs/dbraw/zinc/99/83/87/653998387.db2.gz YBWZEDGOGLADQJ-UHFFFAOYSA-N 1 2 383.286 2.245 20 0 GEADLO Cc1cc(Br)cc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1C ZINC000899064413 653998390 /nfs/dbraw/zinc/99/83/90/653998390.db2.gz YBWZEDGOGLADQJ-UHFFFAOYSA-N 1 2 383.286 2.245 20 0 GEADLO COc1ccc(C(=O)NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cn2)cc1 ZINC000796504829 653999492 /nfs/dbraw/zinc/99/94/92/653999492.db2.gz MJMHXFIEUVFSNO-NSHDSACASA-N 1 2 392.253 2.460 20 0 GEADLO Cc1nn(-c2ccccc2Cl)cc1CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000848887908 653999558 /nfs/dbraw/zinc/99/95/58/653999558.db2.gz HXKVZDNMEAGUSD-VWLOTQADSA-N 1 2 380.945 2.330 20 0 GEADLO O=C(COC(=O)c1ncccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000796582797 654000443 /nfs/dbraw/zinc/00/04/43/654000443.db2.gz ICUUSZXTSNTZEP-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO O=C(N[C@@H]1CCc2cc(Br)ccc2NC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899228456 654005387 /nfs/dbraw/zinc/00/53/87/654005387.db2.gz APTAOGGRPQNQTL-YRGRVCCFSA-N 1 2 389.253 2.345 20 0 GEADLO O=C(N[C@@H]1CCc2cc(Br)ccc2NC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899228456 654005389 /nfs/dbraw/zinc/00/53/89/654005389.db2.gz APTAOGGRPQNQTL-YRGRVCCFSA-N 1 2 389.253 2.345 20 0 GEADLO COC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000886867676 654006035 /nfs/dbraw/zinc/00/60/35/654006035.db2.gz LCRBKKZJYAWIBM-FZMZJTMJSA-N 1 2 384.274 2.057 20 0 GEADLO COC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000886867676 654006038 /nfs/dbraw/zinc/00/60/38/654006038.db2.gz LCRBKKZJYAWIBM-FZMZJTMJSA-N 1 2 384.274 2.057 20 0 GEADLO O=C(N1CC[NH2+][C@H](c2cn[nH]c2)C1)C(F)(F)c1cccc(Br)c1 ZINC000827910182 654012525 /nfs/dbraw/zinc/01/25/25/654012525.db2.gz GQUMABCNWQEGHN-ZDUSSCGKSA-N 1 2 385.212 2.437 20 0 GEADLO O=C(N[C@H]1COc2cccc(Br)c2C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000828027189 654017122 /nfs/dbraw/zinc/01/71/22/654017122.db2.gz OABZAPJIJAOMRO-NWDGAFQWSA-N 1 2 376.254 2.328 20 0 GEADLO Cn1c[nH+]cc1CCS(=O)(=O)c1nnc(Cc2cccs2)n1C1CC1 ZINC000899481746 654017336 /nfs/dbraw/zinc/01/73/36/654017336.db2.gz YQLILWNTJUQNKW-UHFFFAOYSA-N 1 2 377.495 2.015 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000798169048 654052478 /nfs/dbraw/zinc/05/24/78/654052478.db2.gz QIXSPBBZFZRTHP-UHFFFAOYSA-N 1 2 383.461 2.397 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1cccc(F)c1Br ZINC000828984334 654057259 /nfs/dbraw/zinc/05/72/59/654057259.db2.gz ZBFKLZQLMQAYRL-CYBMUJFWSA-N 1 2 398.232 2.075 20 0 GEADLO CCOC(=O)[C@H]1CSCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000798258590 654057437 /nfs/dbraw/zinc/05/74/37/654057437.db2.gz WHRRFXNTGLQYOS-CQSZACIVSA-N 1 2 379.507 2.341 20 0 GEADLO CC(C)n1ncc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1I ZINC000869103904 654069357 /nfs/dbraw/zinc/06/93/57/654069357.db2.gz VFMRBUFEJJCPAW-JTQLQIEISA-N 1 2 399.236 2.010 20 0 GEADLO Cc1nc(SCC(C)C)sc1CC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900805542 654081727 /nfs/dbraw/zinc/08/17/27/654081727.db2.gz QGHPANWNFDZPQJ-UKRRQHHQSA-N 1 2 384.615 2.493 20 0 GEADLO Cc1nc(SCC(C)C)sc1CC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000900805542 654081729 /nfs/dbraw/zinc/08/17/29/654081729.db2.gz QGHPANWNFDZPQJ-UKRRQHHQSA-N 1 2 384.615 2.493 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[NH2+]C[C@H]1C(F)F ZINC000850587903 654083924 /nfs/dbraw/zinc/08/39/24/654083924.db2.gz NJKIRMPRDABFRF-QMMMGPOBSA-N 1 2 394.749 2.466 20 0 GEADLO Cn1cc(Br)c(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1=O ZINC000829915084 654084332 /nfs/dbraw/zinc/08/43/32/654084332.db2.gz IQGLRINFPWNYLJ-UHFFFAOYSA-N 1 2 391.269 2.260 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1c(C)ccc(F)c1Br ZINC000901227388 654116190 /nfs/dbraw/zinc/11/61/90/654116190.db2.gz ZAXBLOXQWFPQTQ-NSHDSACASA-N 1 2 384.205 2.134 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1c(C)ccc(F)c1Br ZINC000901227388 654116194 /nfs/dbraw/zinc/11/61/94/654116194.db2.gz ZAXBLOXQWFPQTQ-NSHDSACASA-N 1 2 384.205 2.134 20 0 GEADLO C[C@H](c1ncc(Br)cn1)[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830461693 654119800 /nfs/dbraw/zinc/11/98/00/654119800.db2.gz DHJIIWVPFVPXQK-ZYHUDNBSSA-N 1 2 389.294 2.118 20 0 GEADLO C[C@H](c1ncc(Br)cn1)[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830461693 654119806 /nfs/dbraw/zinc/11/98/06/654119806.db2.gz DHJIIWVPFVPXQK-ZYHUDNBSSA-N 1 2 389.294 2.118 20 0 GEADLO O=C([O-])[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000901619733 654135188 /nfs/dbraw/zinc/13/51/88/654135188.db2.gz WVEBQGDJEHZVQY-HZPDHXFCSA-N 1 2 383.286 2.418 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1c2ccc(Br)cc2nn1C ZINC000830675662 654135396 /nfs/dbraw/zinc/13/53/96/654135396.db2.gz ZENNYIYZYDTTCG-NSHDSACASA-N 1 2 382.258 2.213 20 0 GEADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870075088 654142379 /nfs/dbraw/zinc/14/23/79/654142379.db2.gz OXBOUWBAZYQCRE-GDBMZVCRSA-N 1 2 384.929 2.380 20 0 GEADLO O=C(CSCc1ccc(Cl)cc1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870076020 654142532 /nfs/dbraw/zinc/14/25/32/654142532.db2.gz VXSXUPQQXQAWOQ-KRWDZBQOSA-N 1 2 384.929 2.133 20 0 GEADLO Cc1ncc(Br)n1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000918328449 654148338 /nfs/dbraw/zinc/14/83/38/654148338.db2.gz RXLFOHYVVSVVJI-UHFFFAOYSA-N 1 2 383.315 2.360 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)c3c[nH]c(=S)[nH]3)[nH+]c12 ZINC000800695060 654155871 /nfs/dbraw/zinc/15/58/71/654155871.db2.gz YDPLRDBGQKMIRO-UHFFFAOYSA-N 1 2 380.271 2.390 20 0 GEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831020730 654156338 /nfs/dbraw/zinc/15/63/38/654156338.db2.gz UYGHFDDRBWURHP-RKDXNWHRSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831020730 654156341 /nfs/dbraw/zinc/15/63/41/654156341.db2.gz UYGHFDDRBWURHP-RKDXNWHRSA-N 1 2 382.711 2.211 20 0 GEADLO O=C(NCCc1sccc1Br)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000889653467 654157085 /nfs/dbraw/zinc/15/70/85/654157085.db2.gz KBVSNPMDZOWJPK-LBPRGKRZSA-N 1 2 388.331 2.169 20 0 GEADLO Cc1nn(C)c(Br)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000800791100 654157893 /nfs/dbraw/zinc/15/78/93/654157893.db2.gz DSVSQULAQDGBFQ-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO CC(=O)N[C@H](C(=O)O[C@H]1CC[N@H+](CCF)C1)c1cccc(Br)c1 ZINC000870329314 654163500 /nfs/dbraw/zinc/16/35/00/654163500.db2.gz IJHFBCROOPXHIT-GJZGRUSLSA-N 1 2 387.249 2.213 20 0 GEADLO CC(=O)N[C@H](C(=O)O[C@H]1CC[N@@H+](CCF)C1)c1cccc(Br)c1 ZINC000870329314 654163510 /nfs/dbraw/zinc/16/35/10/654163510.db2.gz IJHFBCROOPXHIT-GJZGRUSLSA-N 1 2 387.249 2.213 20 0 GEADLO O=S(=O)(CCOCC(F)(F)F)NCCn1c[nH+]cc1-c1ccccc1 ZINC000918852418 654164031 /nfs/dbraw/zinc/16/40/31/654164031.db2.gz NGDZIJNERQZZJK-UHFFFAOYSA-N 1 2 377.388 2.048 20 0 GEADLO COC(CC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)OC ZINC000851715033 654171827 /nfs/dbraw/zinc/17/18/27/654171827.db2.gz XZMUOSKMRDFKSR-UHFFFAOYSA-N 1 2 397.324 2.309 20 0 GEADLO Cc1nc(N)sc1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000831388729 654181818 /nfs/dbraw/zinc/18/18/18/654181818.db2.gz FFPUCONSYIAZIT-UHFFFAOYSA-N 1 2 379.917 2.239 20 0 GEADLO C[C@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000801539228 654200038 /nfs/dbraw/zinc/20/00/38/654200038.db2.gz DMLIXUYBSCAEDX-NSHDSACASA-N 1 2 383.905 2.418 20 0 GEADLO CS(=O)(=O)N1CCC([N@H+](CCc2ccc(F)c(F)c2)CC(F)F)CC1 ZINC000801599871 654201184 /nfs/dbraw/zinc/20/11/84/654201184.db2.gz ADYBPOFBTDLMHX-UHFFFAOYSA-N 1 2 382.423 2.498 20 0 GEADLO CS(=O)(=O)N1CCC([N@@H+](CCc2ccc(F)c(F)c2)CC(F)F)CC1 ZINC000801599871 654201185 /nfs/dbraw/zinc/20/11/85/654201185.db2.gz ADYBPOFBTDLMHX-UHFFFAOYSA-N 1 2 382.423 2.498 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(SC)c2)CC1 ZINC000903005127 654208924 /nfs/dbraw/zinc/20/89/24/654208924.db2.gz RVGJJKFFHMIYGD-ZDUSSCGKSA-N 1 2 385.555 2.139 20 0 GEADLO C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000870947003 654213151 /nfs/dbraw/zinc/21/31/51/654213151.db2.gz NDPIOQIHCOQMND-KSSFIOAISA-N 1 2 392.297 2.318 20 0 GEADLO Cc1nn(C)c(NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)c1Br ZINC000903140965 654220096 /nfs/dbraw/zinc/22/00/96/654220096.db2.gz RDEUHVVANKEPMH-UHFFFAOYSA-N 1 2 399.314 2.280 20 0 GEADLO Cc1nn(C)c(NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)c1Br ZINC000903140965 654220099 /nfs/dbraw/zinc/22/00/99/654220099.db2.gz RDEUHVVANKEPMH-UHFFFAOYSA-N 1 2 399.314 2.280 20 0 GEADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000802241845 654223894 /nfs/dbraw/zinc/22/38/94/654223894.db2.gz BQJUNYQCGCGNDS-QWHCGFSZSA-N 1 2 399.260 2.389 20 0 GEADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000802241845 654223900 /nfs/dbraw/zinc/22/39/00/654223900.db2.gz BQJUNYQCGCGNDS-QWHCGFSZSA-N 1 2 399.260 2.389 20 0 GEADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cn(-c2ccccc2Br)nn1 ZINC000802241485 654224057 /nfs/dbraw/zinc/22/40/57/654224057.db2.gz OKNJREAUASQZQV-NSHDSACASA-N 1 2 383.221 2.230 20 0 GEADLO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cn(-c2ccccc2Br)nn1 ZINC000802241485 654224064 /nfs/dbraw/zinc/22/40/64/654224064.db2.gz OKNJREAUASQZQV-NSHDSACASA-N 1 2 383.221 2.230 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000852188907 654224539 /nfs/dbraw/zinc/22/45/39/654224539.db2.gz QMVIRVRUXQGUKH-OAHLLOKOSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000852188907 654224542 /nfs/dbraw/zinc/22/45/42/654224542.db2.gz QMVIRVRUXQGUKH-OAHLLOKOSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@@H](C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)S(C)(=O)=O ZINC000852337520 654233624 /nfs/dbraw/zinc/23/36/24/654233624.db2.gz SJQXZFKJWJKRIT-AEJSXWLSSA-N 1 2 389.153 2.247 20 0 GEADLO C[C@@H](C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)S(C)(=O)=O ZINC000852337520 654233631 /nfs/dbraw/zinc/23/36/31/654233631.db2.gz SJQXZFKJWJKRIT-AEJSXWLSSA-N 1 2 389.153 2.247 20 0 GEADLO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1=O ZINC000903387408 654237617 /nfs/dbraw/zinc/23/76/17/654237617.db2.gz FJDBOLRSPPVBHJ-ZANVPECISA-N 1 2 394.324 2.302 20 0 GEADLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000852432142 654238672 /nfs/dbraw/zinc/23/86/72/654238672.db2.gz XIJFRSHPRWIEGM-LBPRGKRZSA-N 1 2 383.242 2.247 20 0 GEADLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000852432142 654238674 /nfs/dbraw/zinc/23/86/74/654238674.db2.gz XIJFRSHPRWIEGM-LBPRGKRZSA-N 1 2 383.242 2.247 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@]2(C)Br)CC1 ZINC000871545803 654242542 /nfs/dbraw/zinc/24/25/42/654242542.db2.gz VVFUJFOBOKOTDP-LRDDRELGSA-N 1 2 375.307 2.082 20 0 GEADLO NC(=O)[C@](O)(C[N@@H+]1CCOc2cc(Br)ccc2C1)c1ccccc1 ZINC000852726232 654255639 /nfs/dbraw/zinc/25/56/39/654255639.db2.gz XUUASKFDCSURFI-SFHVURJKSA-N 1 2 391.265 2.017 20 0 GEADLO NC(=O)[C@](O)(C[N@H+]1CCOc2cc(Br)ccc2C1)c1ccccc1 ZINC000852726232 654255644 /nfs/dbraw/zinc/25/56/44/654255644.db2.gz XUUASKFDCSURFI-SFHVURJKSA-N 1 2 391.265 2.017 20 0 GEADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000921413073 654265369 /nfs/dbraw/zinc/26/53/69/654265369.db2.gz CEWLVVVFMOXXJF-LSDHHAIUSA-N 1 2 388.917 2.270 20 0 GEADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000921413073 654265375 /nfs/dbraw/zinc/26/53/75/654265375.db2.gz CEWLVVVFMOXXJF-LSDHHAIUSA-N 1 2 388.917 2.270 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000832491735 654269877 /nfs/dbraw/zinc/26/98/77/654269877.db2.gz ZWXGVMAOPKLOPP-RYUDHWBXSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000832491735 654269880 /nfs/dbraw/zinc/26/98/80/654269880.db2.gz ZWXGVMAOPKLOPP-RYUDHWBXSA-N 1 2 391.256 2.454 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(O)c(Br)c1 ZINC000921525669 654278001 /nfs/dbraw/zinc/27/80/01/654278001.db2.gz VKPSVKBJQZQGJP-ZDUSSCGKSA-N 1 2 386.290 2.065 20 0 GEADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000832679286 654286888 /nfs/dbraw/zinc/28/68/88/654286888.db2.gz DDFIQYCABXSSIB-MFKMUULPSA-N 1 2 395.305 2.009 20 0 GEADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000832679286 654286889 /nfs/dbraw/zinc/28/68/89/654286889.db2.gz DDFIQYCABXSSIB-MFKMUULPSA-N 1 2 395.305 2.009 20 0 GEADLO O=C(NCCC1SCCS1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000853233127 654287707 /nfs/dbraw/zinc/28/77/07/654287707.db2.gz NOQQLNFPFKUVFM-MRXNPFEDSA-N 1 2 381.567 2.383 20 0 GEADLO O=C(NCCC1SCCS1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000853233127 654287708 /nfs/dbraw/zinc/28/77/08/654287708.db2.gz NOQQLNFPFKUVFM-MRXNPFEDSA-N 1 2 381.567 2.383 20 0 GEADLO CCC[C@H]1CN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)CC[N@@H+]1CCOC ZINC000853462841 654297400 /nfs/dbraw/zinc/29/74/00/654297400.db2.gz BHFBNMXHJBAEJF-AWEZNQCLSA-N 1 2 385.917 2.311 20 0 GEADLO CCC[C@H]1CN(c2ccc3c(c2)S(=O)(=O)N=C3Cl)CC[N@H+]1CCOC ZINC000853462841 654297405 /nfs/dbraw/zinc/29/74/05/654297405.db2.gz BHFBNMXHJBAEJF-AWEZNQCLSA-N 1 2 385.917 2.311 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N(O)Cc1ccccc1Cl ZINC000904165953 654303814 /nfs/dbraw/zinc/30/38/14/654303814.db2.gz WWFDLXAIZJJFCC-QGZVFWFLSA-N 1 2 385.917 2.449 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853604725 654308980 /nfs/dbraw/zinc/30/89/80/654308980.db2.gz HMSXDMWKDDKREL-SWLSCSKDSA-N 1 2 390.311 2.389 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853604725 654308982 /nfs/dbraw/zinc/30/89/82/654308982.db2.gz HMSXDMWKDDKREL-SWLSCSKDSA-N 1 2 390.311 2.389 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1ncc(Br)cn1 ZINC000891740396 654309260 /nfs/dbraw/zinc/30/92/60/654309260.db2.gz AVBQYJYJTWFUAK-UHFFFAOYSA-N 1 2 391.273 2.234 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853606098 654309327 /nfs/dbraw/zinc/30/93/27/654309327.db2.gz KJJSGWMLROUSNA-RISCZKNCSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)CCO1 ZINC000853606098 654309332 /nfs/dbraw/zinc/30/93/32/654309332.db2.gz KJJSGWMLROUSNA-RISCZKNCSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000853605775 654309409 /nfs/dbraw/zinc/30/94/09/654309409.db2.gz IPYJVPHAUOZPAH-IAQYHMDHSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000853605775 654309412 /nfs/dbraw/zinc/30/94/12/654309412.db2.gz IPYJVPHAUOZPAH-IAQYHMDHSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000804438987 654310401 /nfs/dbraw/zinc/31/04/01/654310401.db2.gz TWDZFGFBQJVSRC-SRCQZFHVSA-N 1 2 395.297 2.074 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(c2cc(Br)cnc2Br)[C@@H](C)C1 ZINC000804624110 654315643 /nfs/dbraw/zinc/31/56/43/654315643.db2.gz JYGADDLVYHRUDZ-VHSXEESVSA-N 1 2 393.123 2.498 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(c2cc(Br)cnc2Br)[C@@H](C)C1 ZINC000804624110 654315645 /nfs/dbraw/zinc/31/56/45/654315645.db2.gz JYGADDLVYHRUDZ-VHSXEESVSA-N 1 2 393.123 2.498 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)NCCn2cc(Br)cn2)c1C ZINC000805029357 654337996 /nfs/dbraw/zinc/33/79/96/654337996.db2.gz LQKVBXBKAYDDOU-UHFFFAOYSA-N 1 2 382.262 2.165 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C[C@H]1Cc1ccccc1 ZINC000805096004 654348944 /nfs/dbraw/zinc/34/89/44/654348944.db2.gz DPZSGUXRMNPHMS-CQSZACIVSA-N 1 2 383.876 2.422 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C[C@H]1Cc1ccccc1 ZINC000805096004 654348949 /nfs/dbraw/zinc/34/89/49/654348949.db2.gz DPZSGUXRMNPHMS-CQSZACIVSA-N 1 2 383.876 2.422 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)s1 ZINC000922025760 654356818 /nfs/dbraw/zinc/35/68/18/654356818.db2.gz JWMOCEVOLAACFA-ZFWWWQNUSA-N 1 2 387.571 2.296 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)s1 ZINC000922025760 654356822 /nfs/dbraw/zinc/35/68/22/654356822.db2.gz JWMOCEVOLAACFA-ZFWWWQNUSA-N 1 2 387.571 2.296 20 0 GEADLO Cc1cc(Br)nc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000835159654 654366827 /nfs/dbraw/zinc/36/68/27/654366827.db2.gz JVAAJHSHIBQDOA-NSHDSACASA-N 1 2 392.257 2.220 20 0 GEADLO CCn1c(C[NH2+][C@@H](C)C(=O)NC(C)C)nc(Br)c1Br ZINC000922184532 654374352 /nfs/dbraw/zinc/37/43/52/654374352.db2.gz NNIQKSYYKQYWER-QMMMGPOBSA-N 1 2 396.127 2.431 20 0 GEADLO CCOC(=O)c1ncc(Br)c(N[C@@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC000892994569 654374917 /nfs/dbraw/zinc/37/49/17/654374917.db2.gz MQJFILMKKOXKOO-CQSZACIVSA-N 1 2 391.269 2.436 20 0 GEADLO CCOC(=O)c1ncc(Br)c(N[C@@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC000892994569 654374925 /nfs/dbraw/zinc/37/49/25/654374925.db2.gz MQJFILMKKOXKOO-CQSZACIVSA-N 1 2 391.269 2.436 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000854894373 654387980 /nfs/dbraw/zinc/38/79/80/654387980.db2.gz HBDKFLQIJUBJOM-XJKCOSOUSA-N 1 2 378.270 2.478 20 0 GEADLO O=C(Cc1cccc(F)c1)N1CCC[N@H+](CC[S@](=O)C(F)(F)F)CC1 ZINC000905939762 654392693 /nfs/dbraw/zinc/39/26/93/654392693.db2.gz HOEYMTNTKOSZTN-VWLOTQADSA-N 1 2 380.407 2.171 20 0 GEADLO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](CC[S@](=O)C(F)(F)F)CC1 ZINC000905939762 654392696 /nfs/dbraw/zinc/39/26/96/654392696.db2.gz HOEYMTNTKOSZTN-VWLOTQADSA-N 1 2 380.407 2.171 20 0 GEADLO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1cn(C)nc1Br ZINC000922466850 654395521 /nfs/dbraw/zinc/39/55/21/654395521.db2.gz SMXIPHGBWSLSCG-NSHDSACASA-N 1 2 382.258 2.413 20 0 GEADLO CC(C)(C)n1cc(C[NH2+]Cc2cc(O)ccc2Br)c(=O)[nH]c1=O ZINC000922498545 654398314 /nfs/dbraw/zinc/39/83/14/654398314.db2.gz NUGVVMHWHCHIOR-UHFFFAOYSA-N 1 2 382.258 2.462 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000893525595 654405580 /nfs/dbraw/zinc/40/55/80/654405580.db2.gz DSBSSFHPNCDQBR-UHFFFAOYSA-N 1 2 382.258 2.482 20 0 GEADLO CCOc1ccc([C@]2(C(=O)N3CC[NH+](CCO)CC3)CC2(Cl)Cl)cc1 ZINC000906043795 654407779 /nfs/dbraw/zinc/40/77/79/654407779.db2.gz DGVKVNSAQILXJX-KRWDZBQOSA-N 1 2 387.307 2.037 20 0 GEADLO C[C@H](NCc1cccc(F)c1I)[C@H]1C[N@H+](C)CCO1 ZINC000873081888 654413278 /nfs/dbraw/zinc/41/32/78/654413278.db2.gz VEPABUHSVPQMTE-GXFFZTMASA-N 1 2 378.229 2.239 20 0 GEADLO C[C@H](NCc1cccc(F)c1I)[C@H]1C[N@@H+](C)CCO1 ZINC000873081888 654413286 /nfs/dbraw/zinc/41/32/86/654413286.db2.gz VEPABUHSVPQMTE-GXFFZTMASA-N 1 2 378.229 2.239 20 0 GEADLO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000922822726 654415409 /nfs/dbraw/zinc/41/54/09/654415409.db2.gz OEOQRMSOTWZSHZ-CYBMUJFWSA-N 1 2 394.440 2.324 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cnn(C(C)(C)C)c2Br)[C@@H](C)CO1 ZINC000855406276 654417031 /nfs/dbraw/zinc/41/70/31/654417031.db2.gz COSBUPRHGLEPFJ-RYUDHWBXSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cnn(C(C)(C)C)c2Br)[C@@H](C)CO1 ZINC000855406276 654417034 /nfs/dbraw/zinc/41/70/34/654417034.db2.gz COSBUPRHGLEPFJ-RYUDHWBXSA-N 1 2 387.322 2.240 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cnc(Cl)c(Br)c2)[C@@H](C)CO1 ZINC000855408625 654417565 /nfs/dbraw/zinc/41/75/65/654417565.db2.gz WXJXBTNGUOLHJF-VHSXEESVSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cnc(Cl)c(Br)c2)[C@@H](C)CO1 ZINC000855408625 654417570 /nfs/dbraw/zinc/41/75/70/654417570.db2.gz WXJXBTNGUOLHJF-VHSXEESVSA-N 1 2 376.682 2.337 20 0 GEADLO O=S1(=O)CCN(C2CC[NH+](Cc3ccc(C(F)F)c(F)c3)CC2)CC1 ZINC000893882720 654428903 /nfs/dbraw/zinc/42/89/03/654428903.db2.gz IRASHLGYCBJTNB-UHFFFAOYSA-N 1 2 376.444 2.458 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000893946052 654432821 /nfs/dbraw/zinc/43/28/21/654432821.db2.gz KFNDEVXODROCBS-YPMHNXCESA-N 1 2 382.473 2.186 20 0 GEADLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000893946052 654432824 /nfs/dbraw/zinc/43/28/24/654432824.db2.gz KFNDEVXODROCBS-YPMHNXCESA-N 1 2 382.473 2.186 20 0 GEADLO CCOC(=O)CC1CC[NH+](Cc2c(I)cnn2C)CC1 ZINC000893947548 654432962 /nfs/dbraw/zinc/43/29/62/654432962.db2.gz YCSMYTWXRAISPP-UHFFFAOYSA-N 1 2 391.253 2.190 20 0 GEADLO COCCCOC1CC[NH+](Cc2cn(C)nc2I)CC1 ZINC000894040227 654441866 /nfs/dbraw/zinc/44/18/66/654441866.db2.gz SBXYFOPGVKAXQX-UHFFFAOYSA-N 1 2 393.269 2.042 20 0 GEADLO Cc1cc(N2CCC[C@H]([NH2+]Cc3ncc(Br)cc3O)C2)n(C)n1 ZINC000894058679 654443037 /nfs/dbraw/zinc/44/30/37/654443037.db2.gz QAXNOBFYXQNXGA-ZDUSSCGKSA-N 1 2 380.290 2.350 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC1 ZINC000906704220 654462860 /nfs/dbraw/zinc/46/28/60/654462860.db2.gz GQEVRDLQQBYVGR-WCQYABFASA-N 1 2 380.703 2.408 20 0 GEADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1c(I)cnn1C ZINC000894315403 654464749 /nfs/dbraw/zinc/46/47/49/654464749.db2.gz FKLDIBKSQLKNLC-SNVBAGLBSA-N 1 2 377.251 2.218 20 0 GEADLO CCc1cc(C(=O)N2CC[NH+](CCn3cncn3)CC2)ccc1Br ZINC000906774562 654471134 /nfs/dbraw/zinc/47/11/34/654471134.db2.gz FFYCNCQVJYZZBC-UHFFFAOYSA-N 1 2 392.301 2.061 20 0 GEADLO Cc1nc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)sc1Br ZINC000894417307 654473986 /nfs/dbraw/zinc/47/39/86/654473986.db2.gz LGWFKOLFVGPONU-YMTOWFKASA-N 1 2 387.303 2.167 20 0 GEADLO Cc1nc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)sc1Br ZINC000894417307 654473988 /nfs/dbraw/zinc/47/39/88/654473988.db2.gz LGWFKOLFVGPONU-YMTOWFKASA-N 1 2 387.303 2.167 20 0 GEADLO O=C(c1cccn2ncc(Br)c12)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000906826845 654476612 /nfs/dbraw/zinc/47/66/12/654476612.db2.gz QSZHJYILNZBIAA-ZDUSSCGKSA-N 1 2 393.285 2.034 20 0 GEADLO COc1ccc(F)cc1C[NH2+]Cc1cn(C)nc1I ZINC000894494826 654480789 /nfs/dbraw/zinc/48/07/89/654480789.db2.gz JTGGUHOAMYPPBX-UHFFFAOYSA-N 1 2 375.185 2.462 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3ccnc(Br)c3)C2)n1 ZINC000856678337 654485654 /nfs/dbraw/zinc/48/56/54/654485654.db2.gz VKRFZEUYEKEXJN-INIZCTEOSA-N 1 2 381.274 2.359 20 0 GEADLO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3ccnc(Br)c3)C2)n1 ZINC000856678337 654485658 /nfs/dbraw/zinc/48/56/58/654485658.db2.gz VKRFZEUYEKEXJN-INIZCTEOSA-N 1 2 381.274 2.359 20 0 GEADLO COc1ccc(C[NH+]2CCC(N3CN=NC3=O)CC2)c(Br)c1O ZINC000894608545 654490185 /nfs/dbraw/zinc/49/01/85/654490185.db2.gz OPYQMDXDXYOZGD-UHFFFAOYSA-N 1 2 383.246 2.298 20 0 GEADLO CS(=O)(=O)CC1CCC([NH2+]Cc2ncc(Br)cc2O)CC1 ZINC000894666360 654493303 /nfs/dbraw/zinc/49/33/03/654493303.db2.gz BRLWTINRMUUSEH-UHFFFAOYSA-N 1 2 377.304 2.243 20 0 GEADLO CC(C)(C[NH2+]Cc1ncc(Br)cc1O)[C@@H]1COCC12OCCO2 ZINC000894855748 654502602 /nfs/dbraw/zinc/50/26/02/654502602.db2.gz BLSHWNAIVAHKSZ-AWEZNQCLSA-N 1 2 387.274 2.055 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000894904375 654504721 /nfs/dbraw/zinc/50/47/21/654504721.db2.gz HJZXWVDYZZQKPO-STQMWFEESA-N 1 2 384.489 2.434 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000894904375 654504723 /nfs/dbraw/zinc/50/47/23/654504723.db2.gz HJZXWVDYZZQKPO-STQMWFEESA-N 1 2 384.489 2.434 20 0 GEADLO CN(Cc1ccc([S@@](C)=O)cc1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924773001 654524293 /nfs/dbraw/zinc/52/42/93/654524293.db2.gz GYRWOWZCHWVPPD-RUZDIDTESA-N 1 2 380.539 2.284 20 0 GEADLO COC1(C(F)(F)F)CCN(C(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC000924781276 654524551 /nfs/dbraw/zinc/52/45/51/654524551.db2.gz FBWYQUDVGMOYNT-UHFFFAOYSA-N 1 2 380.436 2.458 20 0 GEADLO C/C(=C\C(=O)N[C@H](CCO)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000907291456 654528318 /nfs/dbraw/zinc/52/83/18/654528318.db2.gz JZNDSOFQXXYTCN-ABDJAZHISA-N 1 2 397.313 2.267 20 0 GEADLO Cc1c(Br)cccc1CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000925219718 654537905 /nfs/dbraw/zinc/53/79/05/654537905.db2.gz GHEZFFWLHWHFJH-AWEZNQCLSA-N 1 2 377.242 2.186 20 0 GEADLO Cc1c(Br)cccc1CCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000925219718 654537907 /nfs/dbraw/zinc/53/79/07/654537907.db2.gz GHEZFFWLHWHFJH-AWEZNQCLSA-N 1 2 377.242 2.186 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000925599376 654546695 /nfs/dbraw/zinc/54/66/95/654546695.db2.gz ADLLLYXHJJSOHI-NSHDSACASA-N 1 2 380.436 2.414 20 0 GEADLO Cc1ncc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n1C ZINC000907656522 654564704 /nfs/dbraw/zinc/56/47/04/654564704.db2.gz XSAKWTQBILKGMM-UHFFFAOYSA-N 1 2 392.301 2.495 20 0 GEADLO COc1cc(Br)cc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000926284040 654565960 /nfs/dbraw/zinc/56/59/60/654565960.db2.gz FIWSATPGPRFISU-OAHLLOKOSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1cc(CO)on1 ZINC000926298481 654567441 /nfs/dbraw/zinc/56/74/41/654567441.db2.gz IFSLGIHMCNOGCD-YGRLFVJLSA-N 1 2 380.242 2.386 20 0 GEADLO C[C@@H]([NH2+]Cc1cn(C2CC2)c(=O)[nH]c1=O)c1nc(Br)ccc1F ZINC000926852734 654583863 /nfs/dbraw/zinc/58/38/63/654583863.db2.gz ZMJIXFUKLNNFOD-MRVPVSSYSA-N 1 2 383.221 2.431 20 0 GEADLO Cn1ncc(Br)c1CC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927106090 654592514 /nfs/dbraw/zinc/59/25/14/654592514.db2.gz XFPHTZRPKBVHAO-UHFFFAOYSA-N 1 2 378.274 2.223 20 0 GEADLO C/C(=C\C(=O)N1CCOc2ccc(Br)cc2C1)C[NH+]1CCOCC1 ZINC000908059214 654601069 /nfs/dbraw/zinc/60/10/69/654601069.db2.gz ILKCWLHRCLHQLM-GXDHUFHOSA-N 1 2 395.297 2.449 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2coc(Sc3ncccn3)n2)n1 ZINC000927764308 654612911 /nfs/dbraw/zinc/61/29/11/654612911.db2.gz XTYLMDXXBAHGQG-UHFFFAOYSA-N 1 2 376.467 2.064 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)n1 ZINC000927773369 654613371 /nfs/dbraw/zinc/61/33/71/654613371.db2.gz JANJCWGGKXYNEY-UHFFFAOYSA-N 1 2 387.914 2.192 20 0 GEADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928356254 654642296 /nfs/dbraw/zinc/64/22/96/654642296.db2.gz DTCOHMRWRHWUMX-BXUZGUMPSA-N 1 2 376.258 2.362 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000928439790 654647543 /nfs/dbraw/zinc/64/75/43/654647543.db2.gz OOXOKDNTWWDRSB-QMTHXVAHSA-N 1 2 389.315 2.065 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000928439790 654647546 /nfs/dbraw/zinc/64/75/46/654647546.db2.gz OOXOKDNTWWDRSB-QMTHXVAHSA-N 1 2 389.315 2.065 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(Br)ncc1Cl ZINC000928643850 654653767 /nfs/dbraw/zinc/65/37/67/654653767.db2.gz NNMBHMDGEYCNHH-JTQLQIEISA-N 1 2 376.682 2.338 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000909704959 654672222 /nfs/dbraw/zinc/67/22/22/654672222.db2.gz RCJBUWCWMOMIBV-GFCCVEGCSA-N 1 2 378.226 2.394 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)NCCCn1cc[nH+]c1 ZINC000929159385 654673731 /nfs/dbraw/zinc/67/37/31/654673731.db2.gz VWLXMIQTBIIOER-LBPRGKRZSA-N 1 2 377.242 2.278 20 0 GEADLO Cc1cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cnc1Br ZINC000929235849 654676356 /nfs/dbraw/zinc/67/63/56/654676356.db2.gz AYQIIYDQEYSJKH-UHFFFAOYSA-N 1 2 382.302 2.223 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000929469055 654685103 /nfs/dbraw/zinc/68/51/03/654685103.db2.gz HTQGXOOHCGBETE-INIZCTEOSA-N 1 2 383.286 2.012 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000929470768 654685264 /nfs/dbraw/zinc/68/52/64/654685264.db2.gz YWGKGRFOIHOTIL-HYVNUMGLSA-N 1 2 395.297 2.011 20 0 GEADLO Cc1cccc(C[NH+]2CCN(c3nccn(C)c3=O)CC2)c1Br ZINC000929762777 654691738 /nfs/dbraw/zinc/69/17/38/654691738.db2.gz PBNSGFFHYLNTMC-UHFFFAOYSA-N 1 2 377.286 2.173 20 0 GEADLO O=C(NCc1ccc(Br)s1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000930008988 654697431 /nfs/dbraw/zinc/69/74/31/654697431.db2.gz RFOARMIZIAVWRE-YPMHNXCESA-N 1 2 389.315 2.007 20 0 GEADLO CO[C@@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000910450066 654700464 /nfs/dbraw/zinc/70/04/64/654700464.db2.gz PALJWLZDMOBEEZ-CYBMUJFWSA-N 1 2 391.331 2.425 20 0 GEADLO Nc1nc(Br)ccc1C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000930309963 654705629 /nfs/dbraw/zinc/70/56/29/654705629.db2.gz ZMAUHCHKTZDEOK-UHFFFAOYSA-N 1 2 395.223 2.317 20 0 GEADLO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(Br)nc2N)C1 ZINC000930318520 654705756 /nfs/dbraw/zinc/70/57/56/654705756.db2.gz VDQXDKUUFYOOPF-INIZCTEOSA-N 1 2 386.290 2.218 20 0 GEADLO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccc(Br)nc2N)C1 ZINC000930318520 654705759 /nfs/dbraw/zinc/70/57/59/654705759.db2.gz VDQXDKUUFYOOPF-INIZCTEOSA-N 1 2 386.290 2.218 20 0 GEADLO CCNc1cc(CNC(=O)Nc2cc(Br)c(=O)n(C)c2)cc[nH+]1 ZINC000930372784 654707720 /nfs/dbraw/zinc/70/77/20/654707720.db2.gz AKGQAQDAUADUHF-UHFFFAOYSA-N 1 2 380.246 2.296 20 0 GEADLO Cn1ncc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)c1Br ZINC000910779331 654710823 /nfs/dbraw/zinc/71/08/23/654710823.db2.gz FIHLCDQEBIEBMV-UHFFFAOYSA-N 1 2 375.270 2.283 20 0 GEADLO Cn1ncc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)c1Br ZINC000910779331 654710828 /nfs/dbraw/zinc/71/08/28/654710828.db2.gz FIHLCDQEBIEBMV-UHFFFAOYSA-N 1 2 375.270 2.283 20 0 GEADLO COC(=O)c1cc(Br)c(C[N@H+](C)C[C@H]2COCCO2)cc1OC ZINC000930996274 654725960 /nfs/dbraw/zinc/72/59/60/654725960.db2.gz MRSLSIHDCDXUTI-LBPRGKRZSA-N 1 2 388.258 2.092 20 0 GEADLO COC(=O)c1cc(Br)c(C[N@@H+](C)C[C@H]2COCCO2)cc1OC ZINC000930996274 654725963 /nfs/dbraw/zinc/72/59/63/654725963.db2.gz MRSLSIHDCDXUTI-LBPRGKRZSA-N 1 2 388.258 2.092 20 0 GEADLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000911593564 654727414 /nfs/dbraw/zinc/72/74/14/654727414.db2.gz ICPBAPOOJBPVJB-ZUZCIYMTSA-N 1 2 397.298 2.361 20 0 GEADLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000911593564 654727415 /nfs/dbraw/zinc/72/74/15/654727415.db2.gz ICPBAPOOJBPVJB-ZUZCIYMTSA-N 1 2 397.298 2.361 20 0 GEADLO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(F)F)cc1S(=O)(=O)N1CCCCC1 ZINC000911947621 654737175 /nfs/dbraw/zinc/73/71/75/654737175.db2.gz LMPQVQXAQJBSLE-CYBMUJFWSA-N 1 2 375.441 2.091 20 0 GEADLO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[C@@H]([NH3+])C(F)F)ccc1Cl ZINC000911992418 654738955 /nfs/dbraw/zinc/73/89/55/654738955.db2.gz LWNWRGLUXGKHSJ-LLVKDONJSA-N 1 2 383.848 2.292 20 0 GEADLO C/C(=C\C(=O)NCc1nc2ccc(Br)cc2o1)C[NH+]1CCOCC1 ZINC000911989113 654739023 /nfs/dbraw/zinc/73/90/23/654739023.db2.gz VYEXSCGVBAYPPW-XYOKQWHBSA-N 1 2 394.269 2.485 20 0 GEADLO CSc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3cncs3)CC2)cc1 ZINC000931357572 654739066 /nfs/dbraw/zinc/73/90/66/654739066.db2.gz CAGLAFDITPVZKJ-HNNXBMFYSA-N 1 2 379.551 2.423 20 0 GEADLO Cc1cn(C(C)(C)C(=O)NN2C(=O)c3ccc(Br)cc3C2=O)c[nH+]1 ZINC000912049977 654741378 /nfs/dbraw/zinc/74/13/78/654741378.db2.gz XENOWXHFOZWADV-UHFFFAOYSA-N 1 2 391.225 2.017 20 0 GEADLO C/C(=C\C(=O)N1CCOc2cccc(Br)c2C1)C[NH+]1CCOCC1 ZINC000912061121 654741796 /nfs/dbraw/zinc/74/17/96/654741796.db2.gz YJDYNNIFZJFELU-SDNWHVSQSA-N 1 2 395.297 2.449 20 0 GEADLO CC(C)N(Cc1cccs1)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931655976 654751504 /nfs/dbraw/zinc/75/15/04/654751504.db2.gz GLCFMYOCWNDXQI-UHFFFAOYSA-N 1 2 380.539 2.320 20 0 GEADLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCCO2 ZINC000931667215 654752282 /nfs/dbraw/zinc/75/22/82/654752282.db2.gz KFIGMDDQLIGQCA-HNNXBMFYSA-N 1 2 388.258 2.088 20 0 GEADLO Cc1cc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)oc1Br ZINC000931879328 654760673 /nfs/dbraw/zinc/76/06/73/654760673.db2.gz RBLILHRVWFFPFV-UHFFFAOYSA-N 1 2 383.246 2.132 20 0 GEADLO CC(C)(CNC(=O)c1cc(Br)c2ncc(C=O)n2c1)n1cc[nH+]c1 ZINC000912613414 654761052 /nfs/dbraw/zinc/76/10/52/654761052.db2.gz BIRJVEUZKRNWBF-UHFFFAOYSA-N 1 2 390.241 2.271 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CCn2cnc(Br)n2)CC1(C)C ZINC000931988260 654763374 /nfs/dbraw/zinc/76/33/74/654763374.db2.gz CVJNXRYVDVSXKP-LLVKDONJSA-N 1 2 388.310 2.276 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCn2cnc(Br)n2)CC1(C)C ZINC000931988260 654763377 /nfs/dbraw/zinc/76/33/77/654763377.db2.gz CVJNXRYVDVSXKP-LLVKDONJSA-N 1 2 388.310 2.276 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Nc2c3c(ccc2Br)OCC3)CCO1 ZINC000932216738 654770866 /nfs/dbraw/zinc/77/08/66/654770866.db2.gz FIWXSCJECDFKFA-NSHDSACASA-N 1 2 384.274 2.226 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2c3c(ccc2Br)OCC3)CCO1 ZINC000932216738 654770868 /nfs/dbraw/zinc/77/08/68/654770868.db2.gz FIWXSCJECDFKFA-NSHDSACASA-N 1 2 384.274 2.226 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@H+](CC(=O)N(C)Cc3cccs3)C2)s1 ZINC000932658066 654784349 /nfs/dbraw/zinc/78/43/49/654784349.db2.gz HWGQSDQRQFKELP-GFCCVEGCSA-N 1 2 379.507 2.439 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@@H+](CC(=O)N(C)Cc3cccs3)C2)s1 ZINC000932658066 654784351 /nfs/dbraw/zinc/78/43/51/654784351.db2.gz HWGQSDQRQFKELP-GFCCVEGCSA-N 1 2 379.507 2.439 20 0 GEADLO Cc1cc(OCC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)ccc1Br ZINC000913441719 654792154 /nfs/dbraw/zinc/79/21/54/654792154.db2.gz QCOMVZFDOVQRAS-HNNXBMFYSA-N 1 2 379.258 2.033 20 0 GEADLO COc1cc(C)c(Br)cc1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913452903 654792827 /nfs/dbraw/zinc/79/28/27/654792827.db2.gz MALOONJZDNQROG-CQSZACIVSA-N 1 2 379.258 2.276 20 0 GEADLO O=C(CCc1cc(F)ccc1Br)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913451111 654792839 /nfs/dbraw/zinc/79/28/39/654792839.db2.gz IZQMGGNXPLEBFW-OAHLLOKOSA-N 1 2 381.249 2.417 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913456499 654793092 /nfs/dbraw/zinc/79/30/92/654793092.db2.gz KNHSPXOBDKIJOS-CYBMUJFWSA-N 1 2 397.248 2.117 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCc4cc(Br)ccc43)CC[NH2+]2)cn1 ZINC000913457591 654793164 /nfs/dbraw/zinc/79/31/64/654793164.db2.gz UONNEZHFDQPEAB-SJORKVTESA-N 1 2 389.297 2.386 20 0 GEADLO COc1cc(C)c(Br)cc1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913460319 654793670 /nfs/dbraw/zinc/79/36/70/654793670.db2.gz HPTIVLSWWJIIHP-HNNXBMFYSA-N 1 2 393.285 2.286 20 0 GEADLO Cc1c(Br)ccc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)c1F ZINC000913459680 654793719 /nfs/dbraw/zinc/79/37/19/654793719.db2.gz AHSJCOAZGCKRLO-CQSZACIVSA-N 1 2 381.249 2.417 20 0 GEADLO C[C@H](C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1)c1ccc(Br)cc1 ZINC000913464075 654794057 /nfs/dbraw/zinc/79/40/57/654794057.db2.gz MFMQCIWKRFSWJM-BLLLJJGKSA-N 1 2 377.286 2.459 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)CCc3cccc(Br)c3)CC[NH2+]2)cn1 ZINC000913472161 654794511 /nfs/dbraw/zinc/79/45/11/654794511.db2.gz PTJODBPUDQHJMX-MRXNPFEDSA-N 1 2 377.286 2.288 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCc3cc(F)c(Br)cc3C2)C1 ZINC000933138159 654803523 /nfs/dbraw/zinc/80/35/23/654803523.db2.gz NOAMLOXPLFKJLD-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCc3cc(F)c(Br)cc3C2)C1 ZINC000933138159 654803524 /nfs/dbraw/zinc/80/35/24/654803524.db2.gz NOAMLOXPLFKJLD-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](CCCS(=O)(=O)C(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 ZINC000933187992 654804405 /nfs/dbraw/zinc/80/44/05/654804405.db2.gz JDUPQCWWQCCIBD-OAGGEKHMSA-N 1 2 375.531 2.022 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 ZINC000933187992 654804408 /nfs/dbraw/zinc/80/44/08/654804408.db2.gz JDUPQCWWQCCIBD-OAGGEKHMSA-N 1 2 375.531 2.022 20 0 GEADLO Cc1noc(C[C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000933572046 654817417 /nfs/dbraw/zinc/81/74/17/654817417.db2.gz LBWRXKYVSNLZBS-LBPRGKRZSA-N 1 2 394.273 2.429 20 0 GEADLO Cc1noc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000933572046 654817418 /nfs/dbraw/zinc/81/74/18/654817418.db2.gz LBWRXKYVSNLZBS-LBPRGKRZSA-N 1 2 394.273 2.429 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000933707941 654821053 /nfs/dbraw/zinc/82/10/53/654821053.db2.gz BYUOHVGBZMSJQB-UHFFFAOYSA-N 1 2 391.260 2.323 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 ZINC000933707941 654821055 /nfs/dbraw/zinc/82/10/55/654821055.db2.gz BYUOHVGBZMSJQB-UHFFFAOYSA-N 1 2 391.260 2.323 20 0 GEADLO COCCOc1ccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1Br ZINC000933988642 654833414 /nfs/dbraw/zinc/83/34/14/654833414.db2.gz FHUBWZJKACEMIN-LBPRGKRZSA-N 1 2 395.257 2.417 20 0 GEADLO Cc1c(Br)cncc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000934262542 654841023 /nfs/dbraw/zinc/84/10/23/654841023.db2.gz LCYDFFPMMDJJAU-DGCLKSJQSA-N 1 2 383.290 2.479 20 0 GEADLO CSC1CCC(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000914328133 654845430 /nfs/dbraw/zinc/84/54/30/654845430.db2.gz HHPHIHVGSIWKCK-HTWSVDAQSA-N 1 2 387.615 2.415 20 0 GEADLO CCOC(=O)/C=C\C[NH2+][C@H](CO)c1ccccc1I ZINC000934826385 654861540 /nfs/dbraw/zinc/86/15/40/654861540.db2.gz LFRLEEZAEUFIKA-DMTLFAOVSA-N 1 2 375.206 2.034 20 0 GEADLO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934578549 654853659 /nfs/dbraw/zinc/85/36/59/654853659.db2.gz FLEFRNAPLMNAFT-CYZMBNFOSA-N 1 2 382.657 2.247 20 0 GEADLO O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934578549 654853660 /nfs/dbraw/zinc/85/36/60/654853660.db2.gz FLEFRNAPLMNAFT-CYZMBNFOSA-N 1 2 382.657 2.247 20 0 GEADLO C[C@H]1CCN(C(=O)C2(n3cc(Br)cn3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000934655891 654854892 /nfs/dbraw/zinc/85/48/92/654854892.db2.gz YSQHTGSJWHRXRR-JSGCOSHPSA-N 1 2 378.274 2.441 20 0 GEADLO C[C@H]1CCN(C(=O)C2(n3cc(Br)cn3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000934655888 654854899 /nfs/dbraw/zinc/85/48/99/654854899.db2.gz YSQHTGSJWHRXRR-GXTWGEPZSA-N 1 2 378.274 2.441 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2c1cccc2Br)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000935487958 654896441 /nfs/dbraw/zinc/89/64/41/654896441.db2.gz KQTOAXNAMOPRFR-ZYHUDNBSSA-N 1 2 389.253 2.203 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N[C@H]1CCn2cc[nH+]c2C1 ZINC000935488227 654896587 /nfs/dbraw/zinc/89/65/87/654896587.db2.gz LZMWFOAXCPHNGV-AAEUAGOBSA-N 1 2 389.253 2.203 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)c2nccnc2c1 ZINC000935712924 654912054 /nfs/dbraw/zinc/91/20/54/654912054.db2.gz MNNMGXQUBQLLNW-LBPRGKRZSA-N 1 2 393.285 2.185 20 0 GEADLO C[C@@H]1OCCO[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000935919271 654927539 /nfs/dbraw/zinc/92/75/39/654927539.db2.gz DFFPXEQLSXDSFR-WFASDCNBSA-N 1 2 398.257 2.071 20 0 GEADLO C[C@](O)(C(=O)N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(F)c(Br)c1 ZINC000935923318 654927739 /nfs/dbraw/zinc/92/77/39/654927739.db2.gz CKRZREXODHPSGH-BDJLRTHQSA-N 1 2 382.233 2.123 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000935932620 654928306 /nfs/dbraw/zinc/92/83/06/654928306.db2.gz IMPNTMGDYOSGTN-OLZOCXBDSA-N 1 2 397.317 2.298 20 0 GEADLO COc1cc(Br)cc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000935935366 654928631 /nfs/dbraw/zinc/92/86/31/654928631.db2.gz VQRASMSWZXQUJB-SWLSCSKDSA-N 1 2 383.286 2.393 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccccc4cc3C)CC2)C1=O ZINC001164632724 719270755 /nfs/dbraw/zinc/27/07/55/719270755.db2.gz BIIUIEXORCBXNA-UHFFFAOYSA-N 1 2 382.508 2.303 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccccc4cc3C)CC2)C1=O ZINC001164632724 719270759 /nfs/dbraw/zinc/27/07/59/719270759.db2.gz BIIUIEXORCBXNA-UHFFFAOYSA-N 1 2 382.508 2.303 20 0 GEADLO COCCN1CC[N@H+](C)C2(CCN(c3c(Cl)ccnc3Cl)CC2)C1=O ZINC001164635412 719273597 /nfs/dbraw/zinc/27/35/97/719273597.db2.gz QLSFDJGRIKMUIZ-UHFFFAOYSA-N 1 2 387.311 2.148 20 0 GEADLO COCCN1CC[N@@H+](C)C2(CCN(c3c(Cl)ccnc3Cl)CC2)C1=O ZINC001164635412 719273598 /nfs/dbraw/zinc/27/35/98/719273598.db2.gz QLSFDJGRIKMUIZ-UHFFFAOYSA-N 1 2 387.311 2.148 20 0 GEADLO Cc1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1C(N)=O ZINC001164674480 719504534 /nfs/dbraw/zinc/50/45/34/719504534.db2.gz YCHFROOVYYZKHU-UHFFFAOYSA-N 1 2 398.482 2.499 20 0 GEADLO Cc1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1C(N)=O ZINC001164674480 719504543 /nfs/dbraw/zinc/50/45/43/719504543.db2.gz YCHFROOVYYZKHU-UHFFFAOYSA-N 1 2 398.482 2.499 20 0 GEADLO COc1nc(Cl)ncc1C(F)(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677197 719566821 /nfs/dbraw/zinc/56/68/21/719566821.db2.gz LEUODWNUCGQLIJ-UHFFFAOYSA-N 1 2 396.785 2.479 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)cc1Cl ZINC001164704530 719841256 /nfs/dbraw/zinc/84/12/56/719841256.db2.gz RSEKHIHMYXLNSE-MEDUHNTESA-N 1 2 389.283 2.016 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cnc1Cl ZINC001164700141 719851705 /nfs/dbraw/zinc/85/17/05/719851705.db2.gz GQNJBFYBUOQKGN-ZBEGNZNMSA-N 1 2 389.283 2.016 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C2CC2)n1 ZINC001164703700 719856057 /nfs/dbraw/zinc/85/60/57/719856057.db2.gz QJQVORYJWGINFE-AUUYWEPGSA-N 1 2 394.903 2.240 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(OC(C)C)ccn1 ZINC001164704699 719857813 /nfs/dbraw/zinc/85/78/13/719857813.db2.gz SKIZHOKVBSQEBB-OXQOHEQNSA-N 1 2 377.485 2.102 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(OCC(C)C)n1 ZINC001164701217 719864480 /nfs/dbraw/zinc/86/44/80/719864480.db2.gz FZHCEYHPYIWUKQ-UTKZUKDTSA-N 1 2 391.512 2.349 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccncc2)cn1 ZINC001164701175 719866360 /nfs/dbraw/zinc/86/63/60/719866360.db2.gz FRTGWIVWQHVMAB-DENIHFKCSA-N 1 2 396.491 2.376 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)N1CCCC1)C2 ZINC001165010197 721694605 /nfs/dbraw/zinc/69/46/05/721694605.db2.gz TUQYJBPFMXEMFH-UHFFFAOYSA-N 1 2 397.527 2.160 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)N1CCCC1)C2 ZINC001165010197 721694607 /nfs/dbraw/zinc/69/46/07/721694607.db2.gz TUQYJBPFMXEMFH-UHFFFAOYSA-N 1 2 397.527 2.160 20 0 GEADLO CCOC(=O)Cc1cccnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165007512 721698204 /nfs/dbraw/zinc/69/82/04/721698204.db2.gz DIYZCLGSEDBUPV-UHFFFAOYSA-N 1 2 386.500 2.029 20 0 GEADLO CCOC(=O)Cc1cccnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165007512 721698208 /nfs/dbraw/zinc/69/82/08/721698208.db2.gz DIYZCLGSEDBUPV-UHFFFAOYSA-N 1 2 386.500 2.029 20 0 GEADLO CC(C)c1cncnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914490 721782801 /nfs/dbraw/zinc/78/28/01/721782801.db2.gz DNIYAHJWCNXWGD-OAQYLSRUSA-N 1 2 383.496 2.103 20 0 GEADLO CC(C)c1cncnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914490 721782804 /nfs/dbraw/zinc/78/28/04/721782804.db2.gz DNIYAHJWCNXWGD-OAQYLSRUSA-N 1 2 383.496 2.103 20 0 GEADLO CCCCc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164914634 721798256 /nfs/dbraw/zinc/79/82/56/721798256.db2.gz OOUTXIDLAWOOCO-JOCHJYFZSA-N 1 2 397.523 2.322 20 0 GEADLO CCCCc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164914634 721798259 /nfs/dbraw/zinc/79/82/59/721798259.db2.gz OOUTXIDLAWOOCO-JOCHJYFZSA-N 1 2 397.523 2.322 20 0 GEADLO CCOc1ccc(C(=O)OC)c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164917113 721816572 /nfs/dbraw/zinc/81/65/72/721816572.db2.gz BNBRXMYLIIXTBK-UHFFFAOYSA-N 1 2 399.495 2.213 20 0 GEADLO CCOC(=O)c1cnc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c(OC)c1 ZINC001164917232 721816947 /nfs/dbraw/zinc/81/69/47/721816947.db2.gz DZUPOHMKKCBAEF-UHFFFAOYSA-N 1 2 399.495 2.213 20 0 GEADLO COc1cc(OC)nc(CN2CCN(c3cc(C)[nH+]c(C(C)(C)C)n3)CC2)n1 ZINC001165030995 721850692 /nfs/dbraw/zinc/85/06/92/721850692.db2.gz ZGRYXQZSNZKJLR-UHFFFAOYSA-N 1 2 386.500 2.212 20 0 GEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3c1CCCC3)CC2 ZINC001164945671 721973321 /nfs/dbraw/zinc/97/33/21/721973321.db2.gz PTNWWGGRIVXKNR-UHFFFAOYSA-N 1 2 391.519 2.326 20 0 GEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3c1CCCC3)CC2 ZINC001164945671 721973322 /nfs/dbraw/zinc/97/33/22/721973322.db2.gz PTNWWGGRIVXKNR-UHFFFAOYSA-N 1 2 391.519 2.326 20 0 GEADLO CC(C)Oc1cncc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164949309 721978791 /nfs/dbraw/zinc/97/87/91/721978791.db2.gz OLYCIOZGVJJNQN-UHFFFAOYSA-N 1 2 395.507 2.235 20 0 GEADLO CC(C)Oc1cncc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164949309 721978792 /nfs/dbraw/zinc/97/87/92/721978792.db2.gz OLYCIOZGVJJNQN-UHFFFAOYSA-N 1 2 395.507 2.235 20 0 GEADLO COc1cccc(OCC[NH+]2CCN(c3ncncc3Br)CC2)c1 ZINC000152638085 531563908 /nfs/dbraw/zinc/56/39/08/531563908.db2.gz PGUAOPFDDJZKBO-UHFFFAOYSA-N 1 2 393.285 2.449 20 0 GEADLO COCC[N@H+](Cc1cccc(Br)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000152645312 531565850 /nfs/dbraw/zinc/56/58/50/531565850.db2.gz AOJOBMHYVPPMLX-AWEZNQCLSA-N 1 2 376.316 2.393 20 0 GEADLO COCC[N@@H+](Cc1cccc(Br)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000152645312 531565855 /nfs/dbraw/zinc/56/58/55/531565855.db2.gz AOJOBMHYVPPMLX-AWEZNQCLSA-N 1 2 376.316 2.393 20 0 GEADLO CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC000152747848 531569652 /nfs/dbraw/zinc/56/96/52/531569652.db2.gz IGUBNUJYSOKAOQ-WMLDXEAASA-N 1 2 398.345 2.015 20 0 GEADLO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000152789939 531572201 /nfs/dbraw/zinc/57/22/01/531572201.db2.gz BZXZGSOVEJFNMP-UAGQMJEPSA-N 1 2 397.313 2.394 20 0 GEADLO CC(C)[C@H](Oc1ccccc1Br)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000152789939 531572207 /nfs/dbraw/zinc/57/22/07/531572207.db2.gz BZXZGSOVEJFNMP-UAGQMJEPSA-N 1 2 397.313 2.394 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000153011395 531584531 /nfs/dbraw/zinc/58/45/31/531584531.db2.gz CLPPGHVDDRRVJP-LSDHHAIUSA-N 1 2 382.346 2.380 20 0 GEADLO O=C(NC[C@H](O)c1ccsc1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000153366216 531596080 /nfs/dbraw/zinc/59/60/80/531596080.db2.gz IYHLCNDKHNYQRT-GJZGRUSLSA-N 1 2 381.523 2.216 20 0 GEADLO CN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@H]1CCC[N@H+](C)C1 ZINC000153415067 531599206 /nfs/dbraw/zinc/59/92/06/531599206.db2.gz HSJVRLZAKWGWDO-LBPRGKRZSA-N 1 2 389.315 2.019 20 0 GEADLO CN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000153415067 531599214 /nfs/dbraw/zinc/59/92/14/531599214.db2.gz HSJVRLZAKWGWDO-LBPRGKRZSA-N 1 2 389.315 2.019 20 0 GEADLO C[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1ccc(Cl)s1 ZINC000023706555 531599887 /nfs/dbraw/zinc/59/98/87/531599887.db2.gz BUKCXVDSMLJKAE-UHFFFAOYSA-N 1 2 381.885 2.411 20 0 GEADLO C[N@@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1ccc(Cl)s1 ZINC000023706555 531599899 /nfs/dbraw/zinc/59/98/99/531599899.db2.gz BUKCXVDSMLJKAE-UHFFFAOYSA-N 1 2 381.885 2.411 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000154047150 531619186 /nfs/dbraw/zinc/61/91/86/531619186.db2.gz RGWCNUSRWUMYIV-HOCLYGCPSA-N 1 2 394.313 2.214 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000154047150 531619191 /nfs/dbraw/zinc/61/91/91/531619191.db2.gz RGWCNUSRWUMYIV-HOCLYGCPSA-N 1 2 394.313 2.214 20 0 GEADLO CS(=O)(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000027999445 531629117 /nfs/dbraw/zinc/62/91/17/531629117.db2.gz BPWYDTYAHVESRX-UHFFFAOYSA-N 1 2 379.507 2.078 20 0 GEADLO CN(C(=O)CCCn1cc[nH+]c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000154724675 531629519 /nfs/dbraw/zinc/62/95/19/531629519.db2.gz JWHGUVILIPIZRV-OAHLLOKOSA-N 1 2 379.258 2.111 20 0 GEADLO C[C@H]1CCCN(C(=O)C[NH+]2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000030972155 531643166 /nfs/dbraw/zinc/64/31/66/531643166.db2.gz PTEUOAYJBRVIKX-AWEZNQCLSA-N 1 2 381.318 2.225 20 0 GEADLO CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)Cc1ccc(Br)o1)C(=O)OC ZINC000030973641 531644140 /nfs/dbraw/zinc/64/41/40/531644140.db2.gz MSSQFMYKIDIYME-IINYFYTJSA-N 1 2 375.263 2.178 20 0 GEADLO CC[C@H](C)[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Br)o1)C(=O)OC ZINC000030973641 531644146 /nfs/dbraw/zinc/64/41/46/531644146.db2.gz MSSQFMYKIDIYME-IINYFYTJSA-N 1 2 375.263 2.178 20 0 GEADLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)Cc2cccc(Br)c2)no1 ZINC000154997176 531647800 /nfs/dbraw/zinc/64/78/00/531647800.db2.gz JGWBLOHTCCGMDN-UHFFFAOYSA-N 1 2 381.274 2.488 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000042535323 531669845 /nfs/dbraw/zinc/66/98/45/531669845.db2.gz RUKXMVDUECIFTH-NSHDSACASA-N 1 2 380.242 2.164 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000154976443 531648405 /nfs/dbraw/zinc/64/84/05/531648405.db2.gz XUWJVBMEZVJOLF-ZFWWWQNUSA-N 1 2 384.274 2.395 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000154976443 531648410 /nfs/dbraw/zinc/64/84/10/531648410.db2.gz XUWJVBMEZVJOLF-ZFWWWQNUSA-N 1 2 384.274 2.395 20 0 GEADLO CS[C@H]1CCC[C@@H](NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C1 ZINC000155175102 531661930 /nfs/dbraw/zinc/66/19/30/531661930.db2.gz GDTKLOWTPLRQMV-CABCVRRESA-N 1 2 384.567 2.426 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2nc(C(F)(F)F)cs2)CC1 ZINC000155436588 531684673 /nfs/dbraw/zinc/68/46/73/531684673.db2.gz OTERSJIFXSYPHB-LBPRGKRZSA-N 1 2 376.448 2.290 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000155663656 531694601 /nfs/dbraw/zinc/69/46/01/531694601.db2.gz ZMTXRHCQYATGKV-AWEZNQCLSA-N 1 2 384.299 2.121 20 0 GEADLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000155663656 531694606 /nfs/dbraw/zinc/69/46/06/531694606.db2.gz ZMTXRHCQYATGKV-AWEZNQCLSA-N 1 2 384.299 2.121 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000155674564 531695948 /nfs/dbraw/zinc/69/59/48/531695948.db2.gz BMIDWVDGZBISLX-UHFFFAOYSA-N 1 2 396.285 2.093 20 0 GEADLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000155737431 531698568 /nfs/dbraw/zinc/69/85/68/531698568.db2.gz FIPMXWUPJYHXQK-GXFFZTMASA-N 1 2 377.794 2.444 20 0 GEADLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000155737431 531698579 /nfs/dbraw/zinc/69/85/79/531698579.db2.gz FIPMXWUPJYHXQK-GXFFZTMASA-N 1 2 377.794 2.444 20 0 GEADLO CCN(C1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1)S(C)(=O)=O ZINC000155554830 531691250 /nfs/dbraw/zinc/69/12/50/531691250.db2.gz ZXVOVCCMMGFOKC-UHFFFAOYSA-N 1 2 380.539 2.451 20 0 GEADLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000155904573 531705420 /nfs/dbraw/zinc/70/54/20/531705420.db2.gz WCFZDPFQDKVLGE-BBRMVZONSA-N 1 2 396.329 2.460 20 0 GEADLO CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000155904573 531705424 /nfs/dbraw/zinc/70/54/24/531705424.db2.gz WCFZDPFQDKVLGE-BBRMVZONSA-N 1 2 396.329 2.460 20 0 GEADLO CN(C)c1[nH+]cccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000047976359 531725067 /nfs/dbraw/zinc/72/50/67/531725067.db2.gz DADKKNNOKHTMEM-UHFFFAOYSA-N 1 2 382.873 2.304 20 0 GEADLO CC(C)C(=O)NCC[N@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000157483453 531745287 /nfs/dbraw/zinc/74/52/87/531745287.db2.gz KPPTYJVPLYWGPQ-UHFFFAOYSA-N 1 2 392.244 2.370 20 0 GEADLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000157483453 531745292 /nfs/dbraw/zinc/74/52/92/531745292.db2.gz KPPTYJVPLYWGPQ-UHFFFAOYSA-N 1 2 392.244 2.370 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000157604002 531747129 /nfs/dbraw/zinc/74/71/29/531747129.db2.gz QETPCQHLBLOZKE-GFCCVEGCSA-N 1 2 395.301 2.266 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)c1ccc(Br)cc1 ZINC000054985713 531781656 /nfs/dbraw/zinc/78/16/56/531781656.db2.gz OSZARNPYABRTIT-BLLLJJGKSA-N 1 2 394.313 2.369 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1)c1ccc(Br)cc1 ZINC000054985713 531781664 /nfs/dbraw/zinc/78/16/64/531781664.db2.gz OSZARNPYABRTIT-BLLLJJGKSA-N 1 2 394.313 2.369 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000054174538 531773024 /nfs/dbraw/zinc/77/30/24/531773024.db2.gz ASECWRYKTAGOFG-LBPRGKRZSA-N 1 2 379.295 2.492 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(Br)c1 ZINC000054174538 531773029 /nfs/dbraw/zinc/77/30/29/531773029.db2.gz ASECWRYKTAGOFG-LBPRGKRZSA-N 1 2 379.295 2.492 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2coc(Br)c2)CC1 ZINC000061136730 531850166 /nfs/dbraw/zinc/85/01/66/531850166.db2.gz RBUPDCFBDTZUJF-UHFFFAOYSA-N 1 2 386.290 2.058 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2coc(Br)c2)CC1 ZINC000061136730 531850176 /nfs/dbraw/zinc/85/01/76/531850176.db2.gz RBUPDCFBDTZUJF-UHFFFAOYSA-N 1 2 386.290 2.058 20 0 GEADLO CCCN(CC[NH+](CC)CC)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000162433424 531843928 /nfs/dbraw/zinc/84/39/28/531843928.db2.gz SFHDPXBDFFMEFJ-UHFFFAOYSA-N 1 2 390.571 2.052 20 0 GEADLO CC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000064030448 531863390 /nfs/dbraw/zinc/86/33/90/531863390.db2.gz RLJLGHZJPXNZHJ-CYBMUJFWSA-N 1 2 391.693 2.006 20 0 GEADLO O=C(NC1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1)c1ccsc1 ZINC000064991449 531872275 /nfs/dbraw/zinc/87/22/75/531872275.db2.gz JLHPWFZQMUMHPK-UHFFFAOYSA-N 1 2 378.519 2.416 20 0 GEADLO O[C@H](CSc1nccn1-c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000066402846 531874093 /nfs/dbraw/zinc/87/40/93/531874093.db2.gz CIMRMDRJHHYAMB-HNNXBMFYSA-N 1 2 398.326 2.420 20 0 GEADLO COc1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1Br ZINC000170920201 531893851 /nfs/dbraw/zinc/89/38/51/531893851.db2.gz JRFDQTVRJNTYBK-WCQYABFASA-N 1 2 386.290 2.149 20 0 GEADLO COc1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1Br ZINC000170920201 531893858 /nfs/dbraw/zinc/89/38/58/531893858.db2.gz JRFDQTVRJNTYBK-WCQYABFASA-N 1 2 386.290 2.149 20 0 GEADLO O=S(=O)(c1cc(F)ccc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069868075 531912737 /nfs/dbraw/zinc/91/27/37/531912737.db2.gz MFLCYWQLEHBWBA-CYBMUJFWSA-N 1 2 376.881 2.212 20 0 GEADLO CC[N@H+](CCSc1ccc(Cl)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000069875310 531913799 /nfs/dbraw/zinc/91/37/99/531913799.db2.gz ZMVAARNHLHCTDC-CQSZACIVSA-N 1 2 390.958 2.057 20 0 GEADLO CC[N@@H+](CCSc1ccc(Cl)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000069875310 531913805 /nfs/dbraw/zinc/91/38/05/531913805.db2.gz ZMVAARNHLHCTDC-CQSZACIVSA-N 1 2 390.958 2.057 20 0 GEADLO CCn1cc(Br)cc1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000171271020 531901648 /nfs/dbraw/zinc/90/16/48/531901648.db2.gz FHCIAPQEYAMWTM-UHFFFAOYSA-N 1 2 384.278 2.380 20 0 GEADLO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000071952963 531914371 /nfs/dbraw/zinc/91/43/71/531914371.db2.gz ZFBUMXPXFBGURQ-LRDDRELGSA-N 1 2 382.302 2.227 20 0 GEADLO C[C@@H](NC(=O)c1[nH]nc2ccc(Br)cc21)[C@@H](C)[NH+]1CCOCC1 ZINC000171808112 531918987 /nfs/dbraw/zinc/91/89/87/531918987.db2.gz QZFALLRHBUZAPM-GHMZBOCLSA-N 1 2 381.274 2.164 20 0 GEADLO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171807046 531919472 /nfs/dbraw/zinc/91/94/72/531919472.db2.gz CWHOJHFKVAVKKA-LBPRGKRZSA-N 1 2 381.274 2.166 20 0 GEADLO COCC[N@H+]1CCC[C@H]1CNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171807046 531919477 /nfs/dbraw/zinc/91/94/77/531919477.db2.gz CWHOJHFKVAVKKA-LBPRGKRZSA-N 1 2 381.274 2.166 20 0 GEADLO Brc1ccc2ncc(C[N@@H+]3CCC[C@H]3CN3CCOCC3)n2c1 ZINC000092217875 531925866 /nfs/dbraw/zinc/92/58/66/531925866.db2.gz UHSSOWSBBJVSRA-HNNXBMFYSA-N 1 2 379.302 2.393 20 0 GEADLO Brc1ccc2ncc(C[N@H+]3CCC[C@H]3CN3CCOCC3)n2c1 ZINC000092217875 531925874 /nfs/dbraw/zinc/92/58/74/531925874.db2.gz UHSSOWSBBJVSRA-HNNXBMFYSA-N 1 2 379.302 2.393 20 0 GEADLO CC(=O)N[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000071952963 531914384 /nfs/dbraw/zinc/91/43/84/531914384.db2.gz ZFBUMXPXFBGURQ-LRDDRELGSA-N 1 2 382.302 2.227 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)C[C@H]3CCCO3)CC2)cs1 ZINC000171777213 531915177 /nfs/dbraw/zinc/91/51/77/531915177.db2.gz AOTWEWRQWIPTIT-MRXNPFEDSA-N 1 2 387.571 2.016 20 0 GEADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000172073356 531933244 /nfs/dbraw/zinc/93/32/44/531933244.db2.gz GYWMJWQWKCBNHX-UWVGGRQHSA-N 1 2 378.288 2.431 20 0 GEADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000172073356 531933248 /nfs/dbraw/zinc/93/32/48/531933248.db2.gz GYWMJWQWKCBNHX-UWVGGRQHSA-N 1 2 378.288 2.431 20 0 GEADLO C[C@H](CS(C)(=O)=O)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000172245403 531941118 /nfs/dbraw/zinc/94/11/18/531941118.db2.gz SPCAXGKYAJIFCI-CJNGLKHVSA-N 1 2 387.933 2.209 20 0 GEADLO Cc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1Cl ZINC000105739602 531941304 /nfs/dbraw/zinc/94/13/04/531941304.db2.gz OQAAGVYALQKAKE-NEPJUHHUSA-N 1 2 388.295 2.466 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000109119886 531942248 /nfs/dbraw/zinc/94/22/48/531942248.db2.gz VTTQMGSEFRNTJM-UHFFFAOYSA-N 1 2 376.259 2.417 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000109119886 531942252 /nfs/dbraw/zinc/94/22/52/531942252.db2.gz VTTQMGSEFRNTJM-UHFFFAOYSA-N 1 2 376.259 2.417 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)C1(c2ccc(Br)cc2)CC1 ZINC000114857162 531958005 /nfs/dbraw/zinc/95/80/05/531958005.db2.gz BKGAKRXKQHCYTM-MRXNPFEDSA-N 1 2 379.298 2.460 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)C1(c2ccc(Br)cc2)CC1 ZINC000114857162 531958008 /nfs/dbraw/zinc/95/80/08/531958008.db2.gz BKGAKRXKQHCYTM-MRXNPFEDSA-N 1 2 379.298 2.460 20 0 GEADLO COc1ccc(Br)cc1C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000119272652 531963901 /nfs/dbraw/zinc/96/39/01/531963901.db2.gz RIPBDFDVVPTJKA-UHFFFAOYSA-N 1 2 393.285 2.149 20 0 GEADLO COCCCC[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000114205375 531955760 /nfs/dbraw/zinc/95/57/60/531955760.db2.gz PTVCMZSGCIEPFO-UHFFFAOYSA-N 1 2 380.432 2.438 20 0 GEADLO Cc1cc(SCC(=O)N2CC[NH+](CCO)CC2)c(C)cc1Br ZINC000120619356 531986807 /nfs/dbraw/zinc/98/68/07/531986807.db2.gz VPLJLEHKEVFIOC-UHFFFAOYSA-N 1 2 387.343 2.295 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C)CC1 ZINC000173363576 532006250 /nfs/dbraw/zinc/00/62/50/532006250.db2.gz FCPCEZCXCRGGNS-UHFFFAOYSA-N 1 2 387.571 2.358 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000173396275 532008376 /nfs/dbraw/zinc/00/83/76/532008376.db2.gz ZLQISMVLYFZEED-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000173396275 532008378 /nfs/dbraw/zinc/00/83/78/532008378.db2.gz ZLQISMVLYFZEED-ZDUSSCGKSA-N 1 2 385.302 2.443 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(Br)c2C)CC1 ZINC000173432461 532011620 /nfs/dbraw/zinc/01/16/20/532011620.db2.gz CDEQEWYMFGBQLN-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(Br)c2C)CC1 ZINC000173432461 532011626 /nfs/dbraw/zinc/01/16/26/532011626.db2.gz CDEQEWYMFGBQLN-UHFFFAOYSA-N 1 2 382.302 2.042 20 0 GEADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000173528849 532017176 /nfs/dbraw/zinc/01/71/76/532017176.db2.gz RNYDVDJLIGLAEG-UHFFFAOYSA-N 1 2 382.313 2.120 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173542036 532018463 /nfs/dbraw/zinc/01/84/63/532018463.db2.gz LNRBQAJDUIZCDJ-CYBMUJFWSA-N 1 2 378.416 2.048 20 0 GEADLO O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121316777 532021688 /nfs/dbraw/zinc/02/16/88/532021688.db2.gz LPNMLWPXRILCNZ-HNNXBMFYSA-N 1 2 380.853 2.189 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000173657344 532024774 /nfs/dbraw/zinc/02/47/74/532024774.db2.gz PFBPOUXZSTTWOL-AWEZNQCLSA-N 1 2 385.302 2.397 20 0 GEADLO O=S(=O)(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(Cl)s1 ZINC000121357747 532025062 /nfs/dbraw/zinc/02/50/62/532025062.db2.gz QIFNFHZFHRZHTC-KGLIPLIRSA-N 1 2 386.926 2.315 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000121385422 532026879 /nfs/dbraw/zinc/02/68/79/532026879.db2.gz JRZXDSKXTBZJGU-UHFFFAOYSA-N 1 2 375.479 2.092 20 0 GEADLO COC(=O)CN1CCC[N@H+](Cc2cc(Br)c(OC)s2)CC1 ZINC000121376604 532027081 /nfs/dbraw/zinc/02/70/81/532027081.db2.gz HSABOPNXOKLMGI-UHFFFAOYSA-N 1 2 377.304 2.200 20 0 GEADLO COC(=O)CN1CCC[N@@H+](Cc2cc(Br)c(OC)s2)CC1 ZINC000121376604 532027089 /nfs/dbraw/zinc/02/70/89/532027089.db2.gz HSABOPNXOKLMGI-UHFFFAOYSA-N 1 2 377.304 2.200 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173689293 532028122 /nfs/dbraw/zinc/02/81/22/532028122.db2.gz FAEDUVGPLHKKCL-MRXNPFEDSA-N 1 2 396.329 2.493 20 0 GEADLO O=S(=O)(c1cc(F)ccc1Cl)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173894358 532040337 /nfs/dbraw/zinc/04/03/37/532040337.db2.gz NKQZEJVIEHGBAL-CQSZACIVSA-N 1 2 376.881 2.355 20 0 GEADLO NC(=O)[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(Br)cc1F ZINC000173953941 532044383 /nfs/dbraw/zinc/04/43/83/532044383.db2.gz NIAQYRLHBIETJG-OAHLLOKOSA-N 1 2 386.265 2.107 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c(Cl)cc1F ZINC000121855106 532049554 /nfs/dbraw/zinc/04/95/54/532049554.db2.gz QMCXBGCBPCFTGM-CYBMUJFWSA-N 1 2 376.881 2.130 20 0 GEADLO CCCC[N@H+](CC(N)=O)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000174123977 532050452 /nfs/dbraw/zinc/05/04/52/532050452.db2.gz RSHDAZXSDYVIOJ-UHFFFAOYSA-N 1 2 378.217 2.253 20 0 GEADLO CCCC[N@@H+](CC(N)=O)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000174123977 532050458 /nfs/dbraw/zinc/05/04/58/532050458.db2.gz RSHDAZXSDYVIOJ-UHFFFAOYSA-N 1 2 378.217 2.253 20 0 GEADLO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174488489 532066384 /nfs/dbraw/zinc/06/63/84/532066384.db2.gz CBOGGVXSEOAOFB-MRXNPFEDSA-N 1 2 397.313 2.323 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(Br)s1 ZINC000122564062 532074981 /nfs/dbraw/zinc/07/49/81/532074981.db2.gz VJKQEUOKUJORAU-MNOVXSKESA-N 1 2 395.344 2.042 20 0 GEADLO O=S(=O)(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(Br)s1 ZINC000122564062 532074985 /nfs/dbraw/zinc/07/49/85/532074985.db2.gz VJKQEUOKUJORAU-MNOVXSKESA-N 1 2 395.344 2.042 20 0 GEADLO C[N@H+](CC(=O)NCCc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174782834 532078378 /nfs/dbraw/zinc/07/83/78/532078378.db2.gz PBVZRWWOHBCLNW-SJORKVTESA-N 1 2 386.945 2.286 20 0 GEADLO C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174782834 532078386 /nfs/dbraw/zinc/07/83/86/532078386.db2.gz PBVZRWWOHBCLNW-SJORKVTESA-N 1 2 386.945 2.286 20 0 GEADLO COCCCOC1CC[NH+]([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000122739918 532080977 /nfs/dbraw/zinc/08/09/77/532080977.db2.gz DOQKIJLXFVEGGN-INIZCTEOSA-N 1 2 385.302 2.493 20 0 GEADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000174873854 532081492 /nfs/dbraw/zinc/08/14/92/532081492.db2.gz SYZWKFYKGBQSGQ-SNVBAGLBSA-N 1 2 398.179 2.054 20 0 GEADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000174873854 532081496 /nfs/dbraw/zinc/08/14/96/532081496.db2.gz SYZWKFYKGBQSGQ-SNVBAGLBSA-N 1 2 398.179 2.054 20 0 GEADLO NC(=O)NC1CC[NH+](Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000174916626 532083916 /nfs/dbraw/zinc/08/39/16/532083916.db2.gz ARHKPLHDUJSVBH-UHFFFAOYSA-N 1 2 386.275 2.193 20 0 GEADLO C[C@@H](C(=O)Nc1cc(Cl)cc(Br)c1O)N1CC[NH+](C)CC1 ZINC000174918217 532084099 /nfs/dbraw/zinc/08/40/99/532084099.db2.gz GCHBRSDVOOPQBD-VIFPVBQESA-N 1 2 376.682 2.383 20 0 GEADLO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174920364 532083490 /nfs/dbraw/zinc/08/34/90/532083490.db2.gz HVTLSZNKTSOLMQ-CYBMUJFWSA-N 1 2 392.301 2.332 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 ZINC000123332537 532099286 /nfs/dbraw/zinc/09/92/86/532099286.db2.gz JGAZHGIYVQWDME-NSHDSACASA-N 1 2 397.324 2.079 20 0 GEADLO COc1cc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)ccc1Br ZINC000175231285 532093941 /nfs/dbraw/zinc/09/39/41/532093941.db2.gz NBJYOYIALSZWBV-UHFFFAOYSA-N 1 2 389.315 2.174 20 0 GEADLO NC(=O)C[C@H]1CCC[N@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000175246645 532094362 /nfs/dbraw/zinc/09/43/62/532094362.db2.gz TXCVRNJFHRFUHU-LLVKDONJSA-N 1 2 379.309 2.355 20 0 GEADLO NC(=O)C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000175246645 532094369 /nfs/dbraw/zinc/09/43/69/532094369.db2.gz TXCVRNJFHRFUHU-LLVKDONJSA-N 1 2 379.309 2.355 20 0 GEADLO Cc1csc(N2CC[NH+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)CC2)n1 ZINC000123268341 532096107 /nfs/dbraw/zinc/09/61/07/532096107.db2.gz VVCOCFUYODEMHM-ZDUSSCGKSA-N 1 2 376.448 2.374 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000123238208 532096439 /nfs/dbraw/zinc/09/64/39/532096439.db2.gz JNRORFQRNVTZPR-LBPRGKRZSA-N 1 2 381.325 2.212 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)C(=O)Nc3ncc(C)s3)CC2)s1 ZINC000123798429 532106977 /nfs/dbraw/zinc/10/69/77/532106977.db2.gz HJNWGBCHZBBULA-UHFFFAOYSA-N 1 2 378.523 2.358 20 0 GEADLO O=S(=O)(CCCF)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000175541356 532107067 /nfs/dbraw/zinc/10/70/67/532107067.db2.gz VKIQQILUQYHDOM-UHFFFAOYSA-N 1 2 377.913 2.131 20 0 GEADLO C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C[C@@H]1n1cc[nH+]c1 ZINC000123878821 532109482 /nfs/dbraw/zinc/10/94/82/532109482.db2.gz JSFHIMMIKQWLEN-NEPJUHHUSA-N 1 2 395.257 2.078 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000175323092 532099735 /nfs/dbraw/zinc/09/97/35/532099735.db2.gz XPSCVZCNVKNAFI-NSHDSACASA-N 1 2 395.308 2.251 20 0 GEADLO CCOC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000123477978 532100243 /nfs/dbraw/zinc/10/02/43/532100243.db2.gz GLBMBHJWHUGRFR-UHFFFAOYSA-N 1 2 383.286 2.089 20 0 GEADLO CCOC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000123477978 532100248 /nfs/dbraw/zinc/10/02/48/532100248.db2.gz GLBMBHJWHUGRFR-UHFFFAOYSA-N 1 2 383.286 2.089 20 0 GEADLO Cc1ccc(C[C@@H](C)NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000124399129 532121256 /nfs/dbraw/zinc/12/12/56/532121256.db2.gz FKTZJPYOWYUNDC-KDOFPFPSSA-N 1 2 383.583 2.495 20 0 GEADLO Cc1ccc(C[C@H](C)NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000124399353 532121270 /nfs/dbraw/zinc/12/12/70/532121270.db2.gz FKTZJPYOWYUNDC-KSSFIOAISA-N 1 2 383.583 2.495 20 0 GEADLO Cc1c(I)cccc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000123991364 532112006 /nfs/dbraw/zinc/11/20/06/532112006.db2.gz MSHNHMGYIMGDAG-NSHDSACASA-N 1 2 388.249 2.050 20 0 GEADLO NC(=O)NC1CC[NH+](CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CC1 ZINC000175758040 532112942 /nfs/dbraw/zinc/11/29/42/532112942.db2.gz UEUCFXCYFHJNIT-UHFFFAOYSA-N 1 2 378.782 2.430 20 0 GEADLO C[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000175794227 532115236 /nfs/dbraw/zinc/11/52/36/532115236.db2.gz YYQCXFNXAIKUDY-OLZOCXBDSA-N 1 2 390.311 2.389 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccnc1Br ZINC000125604562 532139150 /nfs/dbraw/zinc/13/91/50/532139150.db2.gz QRAYZZBBCUIWSX-OAHLLOKOSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccnc1Br ZINC000125604562 532139155 /nfs/dbraw/zinc/13/91/55/532139155.db2.gz QRAYZZBBCUIWSX-OAHLLOKOSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(Nc1ccc(Br)cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000124649497 532125997 /nfs/dbraw/zinc/12/59/97/532125997.db2.gz XWXWXLIARNQCSA-CQSZACIVSA-N 1 2 389.253 2.178 20 0 GEADLO Cc1cc(NC(=O)C[S@](=O)Cc2cn3cc(Br)ccc3[nH+]2)no1 ZINC000176555595 532140797 /nfs/dbraw/zinc/14/07/97/532140797.db2.gz XEGVALXEAXZYHS-HSZRJFAPSA-N 1 2 397.254 2.281 20 0 GEADLO COC[C@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000176644525 532144777 /nfs/dbraw/zinc/14/47/77/532144777.db2.gz ZSPNXMVVWWIQFT-IAGOWNOFSA-N 1 2 397.313 2.460 20 0 GEADLO COCC[C@](C)(O)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000176672632 532145915 /nfs/dbraw/zinc/14/59/15/532145915.db2.gz DIYWPCWDVBACLB-AEFFLSMTSA-N 1 2 399.329 2.490 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000128711325 532166679 /nfs/dbraw/zinc/16/66/79/532166679.db2.gz OOIDOMCJHMZBOK-NSHDSACASA-N 1 2 384.307 2.464 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000128711325 532166683 /nfs/dbraw/zinc/16/66/83/532166683.db2.gz OOIDOMCJHMZBOK-NSHDSACASA-N 1 2 384.307 2.464 20 0 GEADLO C[C@H](NC(=O)NCc1ccc(O)c(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000127636567 532156213 /nfs/dbraw/zinc/15/62/13/532156213.db2.gz IAXNYVCEWDFUTG-RYUDHWBXSA-N 1 2 386.290 2.063 20 0 GEADLO Cn1cc[nH+]c1CN1CCN(C(=O)Cc2cc(Br)ccc2F)CC1 ZINC000129676578 532181602 /nfs/dbraw/zinc/18/16/02/532181602.db2.gz VEIRIQRSWXCDPE-UHFFFAOYSA-N 1 2 395.276 2.209 20 0 GEADLO O=C(Nc1c[nH]cc(Br)c1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000129709245 532182990 /nfs/dbraw/zinc/18/29/90/532182990.db2.gz RAGGAVZNHCUWEM-HNNXBMFYSA-N 1 2 392.253 2.389 20 0 GEADLO O=C(Nc1c[nH]cc(Br)c1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000129709245 532182992 /nfs/dbraw/zinc/18/29/92/532182992.db2.gz RAGGAVZNHCUWEM-HNNXBMFYSA-N 1 2 392.253 2.389 20 0 GEADLO Cc1c(Cl)cc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000177807493 532183147 /nfs/dbraw/zinc/18/31/47/532183147.db2.gz OTCZJEMMNAZXJD-ZDUSSCGKSA-N 1 2 376.284 2.459 20 0 GEADLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2cc(O)ccc2Br)CC1 ZINC000129123843 532172536 /nfs/dbraw/zinc/17/25/36/532172536.db2.gz DCQOPGORPFBTRF-CYBMUJFWSA-N 1 2 384.318 2.187 20 0 GEADLO O=C(c1[nH]nc2ccc(Br)cc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178098079 532192571 /nfs/dbraw/zinc/19/25/71/532192571.db2.gz KRAWKUQNGYWNIF-GFCCVEGCSA-N 1 2 393.285 2.120 20 0 GEADLO O=C(c1[nH]nc2ccc(Br)cc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178098069 532192794 /nfs/dbraw/zinc/19/27/94/532192794.db2.gz KRAWKUQNGYWNIF-LBPRGKRZSA-N 1 2 393.285 2.120 20 0 GEADLO CN(CC1CC1)C(=O)C[S@@](=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000131345152 532196905 /nfs/dbraw/zinc/19/69/05/532196905.db2.gz REQHPKQIFOAQOM-JOCHJYFZSA-N 1 2 384.299 2.214 20 0 GEADLO NC(=O)c1cccnc1N1CC[NH+](Cc2ccccc2Br)CC1 ZINC000131925485 532206204 /nfs/dbraw/zinc/20/62/04/532206204.db2.gz UEIUJSDHHHWQPO-UHFFFAOYSA-N 1 2 375.270 2.265 20 0 GEADLO Cc1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c2cc(Br)ccc2n1 ZINC000178618196 532207285 /nfs/dbraw/zinc/20/72/85/532207285.db2.gz KZFBPBBSTUWTPH-AWEZNQCLSA-N 1 2 389.297 2.035 20 0 GEADLO O=C(NCCc1nnc[nH]1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000132056627 532208465 /nfs/dbraw/zinc/20/84/65/532208465.db2.gz FKLMERCVCHXRNO-OAHLLOKOSA-N 1 2 378.274 2.063 20 0 GEADLO CCOC(=O)CCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000132352784 532214056 /nfs/dbraw/zinc/21/40/56/532214056.db2.gz YBBZRAJWYFBJGK-UHFFFAOYSA-N 1 2 394.946 2.441 20 0 GEADLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000178442757 532202026 /nfs/dbraw/zinc/20/20/26/532202026.db2.gz FNVNGGFEJDFEJZ-UHFFFAOYSA-N 1 2 393.694 2.405 20 0 GEADLO COC(=O)C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000178440487 532202185 /nfs/dbraw/zinc/20/21/85/532202185.db2.gz UTYAZDXLEROLRJ-AWEZNQCLSA-N 1 2 385.258 2.042 20 0 GEADLO COC(=O)C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000178440487 532202187 /nfs/dbraw/zinc/20/21/87/532202187.db2.gz UTYAZDXLEROLRJ-AWEZNQCLSA-N 1 2 385.258 2.042 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131764387 532203748 /nfs/dbraw/zinc/20/37/48/532203748.db2.gz QBVHQEZKERNKKS-DYVFJYSZSA-N 1 2 397.313 2.493 20 0 GEADLO O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000133922733 532245810 /nfs/dbraw/zinc/24/58/10/532245810.db2.gz MPUWDDALPJBHMI-GJZGRUSLSA-N 1 2 390.311 2.067 20 0 GEADLO CCS(=O)(=O)CC[N@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179900852 532249581 /nfs/dbraw/zinc/24/95/81/532249581.db2.gz ACUPONFRFFFIBM-UHFFFAOYSA-N 1 2 378.288 2.087 20 0 GEADLO CCS(=O)(=O)CC[N@@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179900852 532249584 /nfs/dbraw/zinc/24/95/84/532249584.db2.gz ACUPONFRFFFIBM-UHFFFAOYSA-N 1 2 378.288 2.087 20 0 GEADLO CN(C(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@H]1CCC[N@H+](C)C1 ZINC000179613296 532238173 /nfs/dbraw/zinc/23/81/73/532238173.db2.gz ZUCDWWVCPXGYEQ-LBPRGKRZSA-N 1 2 389.315 2.019 20 0 GEADLO CN(C(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000179613296 532238175 /nfs/dbraw/zinc/23/81/75/532238175.db2.gz ZUCDWWVCPXGYEQ-LBPRGKRZSA-N 1 2 389.315 2.019 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000134337689 532255075 /nfs/dbraw/zinc/25/50/75/532255075.db2.gz HLYIILAQBFCMCD-ZDUSSCGKSA-N 1 2 379.295 2.490 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000134337689 532255077 /nfs/dbraw/zinc/25/50/77/532255077.db2.gz HLYIILAQBFCMCD-ZDUSSCGKSA-N 1 2 379.295 2.490 20 0 GEADLO CC[C@@]1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCC[NH2+]1 ZINC000134540394 532258284 /nfs/dbraw/zinc/25/82/84/532258284.db2.gz NIEAFUXSUZLFBL-INIZCTEOSA-N 1 2 380.495 2.415 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCCC[C@H](SC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000134613318 532259816 /nfs/dbraw/zinc/25/98/16/532259816.db2.gz GOXABNIWXUSXAT-CVEARBPZSA-N 1 2 376.588 2.020 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCCC[C@H](SC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000134613318 532259821 /nfs/dbraw/zinc/25/98/21/532259821.db2.gz GOXABNIWXUSXAT-CVEARBPZSA-N 1 2 376.588 2.020 20 0 GEADLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)N(C)CCOC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180194900 532260807 /nfs/dbraw/zinc/26/08/07/532260807.db2.gz FSUHLJYWIHOAGI-CVEARBPZSA-N 1 2 393.912 2.027 20 0 GEADLO CC[N@H+]1CC[C@@H](NS(=O)(=O)N(C)CCOC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180194900 532260809 /nfs/dbraw/zinc/26/08/09/532260809.db2.gz FSUHLJYWIHOAGI-CVEARBPZSA-N 1 2 393.912 2.027 20 0 GEADLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cnn(C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180193038 532261099 /nfs/dbraw/zinc/26/10/99/532261099.db2.gz RZQCSZWSPCLNTJ-CVEARBPZSA-N 1 2 386.880 2.326 20 0 GEADLO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2cnn(C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180193038 532261101 /nfs/dbraw/zinc/26/11/01/532261101.db2.gz RZQCSZWSPCLNTJ-CVEARBPZSA-N 1 2 386.880 2.326 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(C)c1C ZINC000135729088 532278446 /nfs/dbraw/zinc/27/84/46/532278446.db2.gz VWBLNVFFTKJKAB-HNNXBMFYSA-N 1 2 385.555 2.112 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(C)c1C ZINC000135729088 532278448 /nfs/dbraw/zinc/27/84/48/532278448.db2.gz VWBLNVFFTKJKAB-HNNXBMFYSA-N 1 2 385.555 2.112 20 0 GEADLO CC(C)[N@@H+]1CC[C@H](NC(=O)CSCC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180751271 532279861 /nfs/dbraw/zinc/27/98/61/532279861.db2.gz PEUKEBPXOORKKS-YOEHRIQHSA-N 1 2 387.908 2.338 20 0 GEADLO CC(C)[N@H+]1CC[C@H](NC(=O)CSCC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180751271 532279862 /nfs/dbraw/zinc/27/98/62/532279862.db2.gz PEUKEBPXOORKKS-YOEHRIQHSA-N 1 2 387.908 2.338 20 0 GEADLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135755839 532280081 /nfs/dbraw/zinc/28/00/81/532280081.db2.gz FOXAKSCDGBELJL-STQMWFEESA-N 1 2 382.511 2.359 20 0 GEADLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135755839 532280084 /nfs/dbraw/zinc/28/00/84/532280084.db2.gz FOXAKSCDGBELJL-STQMWFEESA-N 1 2 382.511 2.359 20 0 GEADLO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCn2c[nH+]cc2C1 ZINC000135998438 532281874 /nfs/dbraw/zinc/28/18/74/532281874.db2.gz LOBUMNXFIMDYBL-AAEUAGOBSA-N 1 2 384.263 2.308 20 0 GEADLO O=C(CCn1cc(Br)ccc1=O)NCCCNc1cccc[nH+]1 ZINC000136183737 532282474 /nfs/dbraw/zinc/28/24/74/532282474.db2.gz RKSJRFCAANQCGO-UHFFFAOYSA-N 1 2 379.258 2.014 20 0 GEADLO CNC(=O)[C@H](C)CN(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000136325002 532284007 /nfs/dbraw/zinc/28/40/07/532284007.db2.gz RVXMSYXTVTYRQN-CJNGLKHVSA-N 1 2 396.329 2.427 20 0 GEADLO COC(=O)CCNC(=O)C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180878075 532284673 /nfs/dbraw/zinc/28/46/73/532284673.db2.gz LCYHUFQVIXDXOL-UHFFFAOYSA-N 1 2 379.507 2.217 20 0 GEADLO COC(=O)CCNC(=O)C[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180878075 532284678 /nfs/dbraw/zinc/28/46/78/532284678.db2.gz LCYHUFQVIXDXOL-UHFFFAOYSA-N 1 2 379.507 2.217 20 0 GEADLO O=C1NC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4Cl)s3)CCN2C1=O ZINC000180485503 532272797 /nfs/dbraw/zinc/27/27/97/532272797.db2.gz SDLJEMYDUTUKEB-LBPRGKRZSA-N 1 2 375.881 2.211 20 0 GEADLO O=C1NC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4Cl)s3)CCN2C1=O ZINC000180485503 532272799 /nfs/dbraw/zinc/27/27/99/532272799.db2.gz SDLJEMYDUTUKEB-LBPRGKRZSA-N 1 2 375.881 2.211 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000180475075 532273143 /nfs/dbraw/zinc/27/31/43/532273143.db2.gz HMBNRGXSJVMRNT-AWEZNQCLSA-N 1 2 384.318 2.349 20 0 GEADLO Cc1c([C@H](C)[NH2+]CCS(=O)(=O)NC(C)C)nnn1-c1cccc(Cl)c1 ZINC000180472514 532273205 /nfs/dbraw/zinc/27/32/05/532273205.db2.gz IOBGGOWHKDNVBG-LBPRGKRZSA-N 1 2 385.921 2.208 20 0 GEADLO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ncc(Br)s1 ZINC000181178700 532292093 /nfs/dbraw/zinc/29/20/93/532292093.db2.gz VEKBZLLVTHKUAD-NXEZZACHSA-N 1 2 384.303 2.485 20 0 GEADLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)COc2ccccc2Br)no1 ZINC000138354535 532292558 /nfs/dbraw/zinc/29/25/58/532292558.db2.gz SHLLDYDUKNBREY-UHFFFAOYSA-N 1 2 397.273 2.324 20 0 GEADLO Cn1cc(Br)c(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000140990323 532294876 /nfs/dbraw/zinc/29/48/76/532294876.db2.gz QRAVAIPUMGUWBJ-UHFFFAOYSA-N 1 2 381.249 2.280 20 0 GEADLO CCOC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(Br)cc2C)CC1 ZINC000181315188 532295200 /nfs/dbraw/zinc/29/52/00/532295200.db2.gz MHBBXDRZLQAVIG-UHFFFAOYSA-N 1 2 397.313 2.397 20 0 GEADLO CCOC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(Br)cc2C)CC1 ZINC000181315188 532295201 /nfs/dbraw/zinc/29/52/01/532295201.db2.gz MHBBXDRZLQAVIG-UHFFFAOYSA-N 1 2 397.313 2.397 20 0 GEADLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000142542099 532296077 /nfs/dbraw/zinc/29/60/77/532296077.db2.gz URCRVFPSVVJRFA-CQSZACIVSA-N 1 2 376.448 2.212 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000181345781 532296130 /nfs/dbraw/zinc/29/61/30/532296130.db2.gz MTZVFEFTAOSKRC-CYBMUJFWSA-N 1 2 383.290 2.481 20 0 GEADLO CC(C)c1nnc(NC(=O)C[NH2+][C@@](C)(C(N)=O)c2cccc(Cl)c2)s1 ZINC000137974222 532291001 /nfs/dbraw/zinc/29/10/01/532291001.db2.gz WHWVLCKTTBEJII-MRXNPFEDSA-N 1 2 381.889 2.244 20 0 GEADLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000182407837 532312964 /nfs/dbraw/zinc/31/29/64/532312964.db2.gz OWNCYISVBRHGFC-GFCCVEGCSA-N 1 2 381.325 2.212 20 0 GEADLO CC[C@H]([NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1nccs1 ZINC000185114623 532336851 /nfs/dbraw/zinc/33/68/51/532336851.db2.gz CMJWICNGUYKFJL-CABCVRRESA-N 1 2 385.555 2.142 20 0 GEADLO Cc1nnc(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)s1 ZINC000185391652 532337814 /nfs/dbraw/zinc/33/78/14/532337814.db2.gz WDHZBPFXHWSYIR-UHFFFAOYSA-N 1 2 376.873 2.106 20 0 GEADLO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000186844242 532342142 /nfs/dbraw/zinc/34/21/42/532342142.db2.gz XNMIWCUUJQOICA-SWLSCSKDSA-N 1 2 379.507 2.277 20 0 GEADLO CCN(C(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000184496274 532333273 /nfs/dbraw/zinc/33/32/73/532333273.db2.gz UTHUTVYXTJJXAG-OLZOCXBDSA-N 1 2 387.571 2.127 20 0 GEADLO O=C(NCC(F)(F)CO)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000184891907 532335551 /nfs/dbraw/zinc/33/55/51/532335551.db2.gz GLDXEQLAGYGTAP-CYBMUJFWSA-N 1 2 379.810 2.370 20 0 GEADLO O=C(NCC(F)(F)CO)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000184891907 532335553 /nfs/dbraw/zinc/33/55/53/532335553.db2.gz GLDXEQLAGYGTAP-CYBMUJFWSA-N 1 2 379.810 2.370 20 0 GEADLO Cc1nc(N2CCN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CC2)cc[nH+]1 ZINC000184958347 532336178 /nfs/dbraw/zinc/33/61/78/532336178.db2.gz RSGJZLPNUXPPRV-UHFFFAOYSA-N 1 2 384.864 2.230 20 0 GEADLO O=C(NCCn1cc[nH+]c1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000187780361 532345538 /nfs/dbraw/zinc/34/55/38/532345538.db2.gz NIGZLJUCGGFQCE-UHFFFAOYSA-N 1 2 375.841 2.415 20 0 GEADLO CSC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000187802539 532345588 /nfs/dbraw/zinc/34/55/88/532345588.db2.gz SXZXVFOUGOZPLU-LLVKDONJSA-N 1 2 399.365 2.024 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl)C[NH+]1CCOCC1 ZINC000188001505 532346233 /nfs/dbraw/zinc/34/62/33/532346233.db2.gz MFUJPUNVJNQQIT-JTQLQIEISA-N 1 2 385.288 2.379 20 0 GEADLO CC(C)N1CC[C@H]([N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1=O ZINC000191317540 532360553 /nfs/dbraw/zinc/36/05/53/532360553.db2.gz FNLSNKMBOBOQTQ-NSHDSACASA-N 1 2 377.436 2.078 20 0 GEADLO CC(C)N1CC[C@H]([N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1=O ZINC000191317540 532360554 /nfs/dbraw/zinc/36/05/54/532360554.db2.gz FNLSNKMBOBOQTQ-NSHDSACASA-N 1 2 377.436 2.078 20 0 GEADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000188318578 532347798 /nfs/dbraw/zinc/34/77/98/532347798.db2.gz BUSOFKSCPFYNCS-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000188318578 532347799 /nfs/dbraw/zinc/34/77/99/532347799.db2.gz BUSOFKSCPFYNCS-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO O=C(C[NH+]1CCN(Cc2ccc(Br)c(Cl)c2)CC1)NC1CC1 ZINC000188588396 532348818 /nfs/dbraw/zinc/34/88/18/532348818.db2.gz VXDZPSJCQZFHOP-UHFFFAOYSA-N 1 2 386.721 2.499 20 0 GEADLO CN1CC[C@@H]([N@H+](C)Cc2cccc(Br)c2OCC(C)(C)O)C1=O ZINC000191354524 532360627 /nfs/dbraw/zinc/36/06/27/532360627.db2.gz AYTXHLSNCJKKNN-CQSZACIVSA-N 1 2 385.302 2.261 20 0 GEADLO CN1CC[C@@H]([N@@H+](C)Cc2cccc(Br)c2OCC(C)(C)O)C1=O ZINC000191354524 532360628 /nfs/dbraw/zinc/36/06/28/532360628.db2.gz AYTXHLSNCJKKNN-CQSZACIVSA-N 1 2 385.302 2.261 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000188719575 532349249 /nfs/dbraw/zinc/34/92/49/532349249.db2.gz FDGHBJYENHVIGD-UHFFFAOYSA-N 1 2 379.258 2.260 20 0 GEADLO C[C@H](Sc1nncn1C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188773206 532349589 /nfs/dbraw/zinc/34/95/89/532349589.db2.gz ZAFUJLZGYKNPML-LBPRGKRZSA-N 1 2 379.917 2.124 20 0 GEADLO C[C@H](Sc1nncn1C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188773206 532349590 /nfs/dbraw/zinc/34/95/90/532349590.db2.gz ZAFUJLZGYKNPML-LBPRGKRZSA-N 1 2 379.917 2.124 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1c(Cl)cccc1C(F)(F)F ZINC000189090154 532350819 /nfs/dbraw/zinc/35/08/19/532350819.db2.gz CBZITEYOVDVOCC-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1c(Cl)cccc1C(F)(F)F ZINC000189090154 532350820 /nfs/dbraw/zinc/35/08/20/532350820.db2.gz CBZITEYOVDVOCC-UHFFFAOYSA-N 1 2 386.823 2.359 20 0 GEADLO COC(=O)[C@@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)C[C@@H](C)O1 ZINC000189110891 532350858 /nfs/dbraw/zinc/35/08/58/532350858.db2.gz KUCNOEJZUYFDQI-YGRLFVJLSA-N 1 2 376.222 2.229 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+](CCOc2cc(F)cc(Br)c2)C[C@@H](C)O1 ZINC000189110891 532350859 /nfs/dbraw/zinc/35/08/59/532350859.db2.gz KUCNOEJZUYFDQI-YGRLFVJLSA-N 1 2 376.222 2.229 20 0 GEADLO COCc1noc(CN2CC[NH+](Cc3ccccc3Br)CC2)n1 ZINC000189623893 532353060 /nfs/dbraw/zinc/35/30/60/532353060.db2.gz OAXUBVJDYYKXIO-UHFFFAOYSA-N 1 2 381.274 2.296 20 0 GEADLO CCN(CC)c1nc2sc(C(=O)N3CC[NH+](C[C@H](C)O)CC3)cc2s1 ZINC000189719259 532353463 /nfs/dbraw/zinc/35/34/63/532353463.db2.gz ANRRREBFFPWEJR-LBPRGKRZSA-N 1 2 382.555 2.343 20 0 GEADLO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000190455270 532356194 /nfs/dbraw/zinc/35/61/94/532356194.db2.gz LEOGAJOOPUWANB-ZJUUUORDSA-N 1 2 392.258 2.296 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000190731360 532357574 /nfs/dbraw/zinc/35/75/74/532357574.db2.gz LIGZCDBNXVVWLZ-UKRRQHHQSA-N 1 2 388.917 2.222 20 0 GEADLO Cc1cccc2[nH+]c(CNC(=O)C(=O)Nc3ccc(Br)cn3)cn21 ZINC000191088233 532359517 /nfs/dbraw/zinc/35/95/17/532359517.db2.gz IUNPKUZJLIBVTO-UHFFFAOYSA-N 1 2 388.225 2.055 20 0 GEADLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191304972 532360292 /nfs/dbraw/zinc/36/02/92/532360292.db2.gz NWLTYKYZXUGBCA-LLVKDONJSA-N 1 2 379.452 2.230 20 0 GEADLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191304972 532360293 /nfs/dbraw/zinc/36/02/93/532360293.db2.gz NWLTYKYZXUGBCA-LLVKDONJSA-N 1 2 379.452 2.230 20 0 GEADLO CCN(C)C(=O)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000187257991 532343855 /nfs/dbraw/zinc/34/38/55/532343855.db2.gz CKMWAKGUSKTKET-MRXNPFEDSA-N 1 2 382.302 2.181 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(OC)c2)CC1 ZINC000425205654 532372886 /nfs/dbraw/zinc/37/28/86/532372886.db2.gz OUIZBWDQNHKFDK-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO CC(=O)N1CC[NH+]([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000463478538 532374470 /nfs/dbraw/zinc/37/44/70/532374470.db2.gz KVVFMXAMOCNRKR-KRWDZBQOSA-N 1 2 394.313 2.417 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@H+](C)CC(=O)NC3CC3)C2=O)ccc1Br ZINC000463478309 532374545 /nfs/dbraw/zinc/37/45/45/532374545.db2.gz IVLYHNUPZWVYGS-INIZCTEOSA-N 1 2 394.313 2.463 20 0 GEADLO Cc1cc(N2CCC[C@H]([N@@H+](C)CC(=O)NC3CC3)C2=O)ccc1Br ZINC000463478309 532374554 /nfs/dbraw/zinc/37/45/54/532374554.db2.gz IVLYHNUPZWVYGS-INIZCTEOSA-N 1 2 394.313 2.463 20 0 GEADLO CS(=O)(=O)N[C@@H]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000425238721 532378379 /nfs/dbraw/zinc/37/83/79/532378379.db2.gz VIDHMAKBRFPHSO-SECBINFHSA-N 1 2 388.262 2.264 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(OC)ccc2Br)C[C@@H]1C ZINC000677152397 532365588 /nfs/dbraw/zinc/36/55/88/532365588.db2.gz PEPMNQVUQBSOBM-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(OC)ccc2Br)C[C@@H]1C ZINC000677152397 532365594 /nfs/dbraw/zinc/36/55/94/532365594.db2.gz PEPMNQVUQBSOBM-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)c1ncc(Br)cn1 ZINC000647119417 532366594 /nfs/dbraw/zinc/36/65/94/532366594.db2.gz SYVLFJYGUSQEMI-IUODEOHRSA-N 1 2 390.285 2.476 20 0 GEADLO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)c1ncc(Br)cn1 ZINC000647119417 532366603 /nfs/dbraw/zinc/36/66/03/532366603.db2.gz SYVLFJYGUSQEMI-IUODEOHRSA-N 1 2 390.285 2.476 20 0 GEADLO COc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)cc1Br ZINC000277942402 532366742 /nfs/dbraw/zinc/36/67/42/532366742.db2.gz GCKICWPKNPXJOH-UHFFFAOYSA-N 1 2 384.274 2.444 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC000294562895 532367406 /nfs/dbraw/zinc/36/74/06/532367406.db2.gz JLFGROIGUNMYED-UHFFFAOYSA-N 1 2 375.238 2.088 20 0 GEADLO C[C@@H](Nc1cc[nH+]c2c(Cl)cccc12)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000557572664 532369744 /nfs/dbraw/zinc/36/97/44/532369744.db2.gz XHXJEPGTCSSCNP-VXGBXAGGSA-N 1 2 381.885 2.240 20 0 GEADLO COc1ccc(Cl)cc1CS(=O)(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000590399980 532371304 /nfs/dbraw/zinc/37/13/04/532371304.db2.gz KGDYGDDZQZSEPD-MRXNPFEDSA-N 1 2 390.933 2.125 20 0 GEADLO CSCC[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000590618367 532379609 /nfs/dbraw/zinc/37/96/09/532379609.db2.gz VQULMZGRWIIXNC-OAHLLOKOSA-N 1 2 376.444 2.464 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000278424207 532380321 /nfs/dbraw/zinc/38/03/21/532380321.db2.gz ZOYYUIOSSFKRNO-JSGCOSHPSA-N 1 2 391.295 2.278 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000278424207 532380328 /nfs/dbraw/zinc/38/03/28/532380328.db2.gz ZOYYUIOSSFKRNO-JSGCOSHPSA-N 1 2 391.295 2.278 20 0 GEADLO COC(=O)C[C@@]1([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCOC1 ZINC000463725226 532380523 /nfs/dbraw/zinc/38/05/23/532380523.db2.gz CPIACPNNBYMDAW-INIZCTEOSA-N 1 2 385.251 2.386 20 0 GEADLO O=S1(=O)CC[C@@H](CC[NH+]2CCN(Cc3nc4ccccc4s3)CC2)C1 ZINC000677692852 532380913 /nfs/dbraw/zinc/38/09/13/532380913.db2.gz YYLISKYTZBPDAJ-OAHLLOKOSA-N 1 2 379.551 2.239 20 0 GEADLO Cc1nc(-c2ccc(S(=O)(=O)N3CC(C[NH+]4CCOCC4)C3)s2)cs1 ZINC000647887520 532382170 /nfs/dbraw/zinc/38/21/70/532382170.db2.gz XWGRSHCQLTWKPG-UHFFFAOYSA-N 1 2 399.563 2.133 20 0 GEADLO CC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)Cc1ccccc1Br ZINC000558061856 532383311 /nfs/dbraw/zinc/38/33/11/532383311.db2.gz YUKUBMFMCZSGMT-LBPRGKRZSA-N 1 2 386.290 2.132 20 0 GEADLO CC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)Cc1ccccc1Br ZINC000558061856 532383318 /nfs/dbraw/zinc/38/33/18/532383318.db2.gz YUKUBMFMCZSGMT-LBPRGKRZSA-N 1 2 386.290 2.132 20 0 GEADLO Cn1ncc(Br)c1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000278526932 532383545 /nfs/dbraw/zinc/38/35/45/532383545.db2.gz RCPJSBLIIQSHGN-UHFFFAOYSA-N 1 2 381.274 2.425 20 0 GEADLO O=C1[C@H]([N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)CCN1c1cccc(Br)c1 ZINC000192074276 532383835 /nfs/dbraw/zinc/38/38/35/532383835.db2.gz NXARCVQTRGNHPU-IKGGRYGDSA-N 1 2 395.297 2.434 20 0 GEADLO O=C1[C@H]([N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)CCN1c1cccc(Br)c1 ZINC000192074276 532383841 /nfs/dbraw/zinc/38/38/41/532383841.db2.gz NXARCVQTRGNHPU-IKGGRYGDSA-N 1 2 395.297 2.434 20 0 GEADLO CO[C@H](c1ccccc1Cl)[C@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463850164 532384570 /nfs/dbraw/zinc/38/45/70/532384570.db2.gz LWDCSFJFKQFIMS-YOEHRIQHSA-N 1 2 390.933 2.058 20 0 GEADLO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCc2[nH+]ccn2C1 ZINC000372323785 532385642 /nfs/dbraw/zinc/38/56/42/532385642.db2.gz DXHXGSLFKLWMQM-RYUDHWBXSA-N 1 2 384.263 2.308 20 0 GEADLO CN(C[C@@H]1CCCO1)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000516403678 532385660 /nfs/dbraw/zinc/38/56/60/532385660.db2.gz MSBHPPYSNLKAAK-LBPRGKRZSA-N 1 2 399.289 2.323 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000677973617 532388402 /nfs/dbraw/zinc/38/84/02/532388402.db2.gz DUVDXQSPKUCOFP-MRXNPFEDSA-N 1 2 391.269 2.126 20 0 GEADLO O=C(c1ccc(I)cn1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590835462 532388743 /nfs/dbraw/zinc/38/87/43/532388743.db2.gz GANRTCYFLNBAKT-LBPRGKRZSA-N 1 2 382.205 2.360 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N1CCS(=O)(=O)C[C@H](C)C1)c1ccsc1 ZINC000192150101 532388964 /nfs/dbraw/zinc/38/89/64/532388964.db2.gz BYWBBVXPZLNRRB-GDBMZVCRSA-N 1 2 387.571 2.207 20 0 GEADLO CCc1cc(N)nc(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)n1 ZINC000279132248 532389635 /nfs/dbraw/zinc/38/96/35/532389635.db2.gz WFSKDAIFIFCTLI-UHFFFAOYSA-N 1 2 378.527 2.404 20 0 GEADLO COc1ccc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c(Br)c1 ZINC000558401894 532389843 /nfs/dbraw/zinc/38/98/43/532389843.db2.gz VTIQEBREIAIHAI-CYBMUJFWSA-N 1 2 396.329 2.242 20 0 GEADLO Cc1nc(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cs1 ZINC000294919330 532390996 /nfs/dbraw/zinc/39/09/96/532390996.db2.gz FMWXOXCEYXOTCL-KGLIPLIRSA-N 1 2 377.432 2.500 20 0 GEADLO O=C(c1c(F)ccc(C(F)(F)F)c1Br)N1CC[NH+](CCO)CC1 ZINC000623936144 532391258 /nfs/dbraw/zinc/39/12/58/532391258.db2.gz GFTQUSYSNOMCLT-UHFFFAOYSA-N 1 2 399.182 2.357 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279251801 532391943 /nfs/dbraw/zinc/39/19/43/532391943.db2.gz ADRHWEQYQOSSCT-IUODEOHRSA-N 1 2 388.892 2.165 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)C2(S(C)(=O)=O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279251801 532391954 /nfs/dbraw/zinc/39/19/54/532391954.db2.gz ADRHWEQYQOSSCT-IUODEOHRSA-N 1 2 388.892 2.165 20 0 GEADLO C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCS1(=O)=O ZINC000192267281 532397983 /nfs/dbraw/zinc/39/79/83/532397983.db2.gz GHPOTYKOCKAFDH-GJZGRUSLSA-N 1 2 385.555 2.104 20 0 GEADLO O=S(=O)(c1cccc(Br)c1Cl)N1CC[NH2+]C[C@H]1C(F)F ZINC000516927039 532398297 /nfs/dbraw/zinc/39/82/97/532398297.db2.gz UDAJNTLPLFQKLQ-QMMMGPOBSA-N 1 2 389.649 2.330 20 0 GEADLO COCCC[N@H+](Cc1ccc(C(=O)OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000295004841 532395966 /nfs/dbraw/zinc/39/59/66/532395966.db2.gz SDPWXXPKBSNNBO-CQSZACIVSA-N 1 2 389.901 2.152 20 0 GEADLO COCCC[N@@H+](Cc1ccc(C(=O)OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000295004841 532395974 /nfs/dbraw/zinc/39/59/74/532395974.db2.gz SDPWXXPKBSNNBO-CQSZACIVSA-N 1 2 389.901 2.152 20 0 GEADLO COc1ncc(Br)cc1CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000624632440 532400705 /nfs/dbraw/zinc/40/07/05/532400705.db2.gz VZNVSZNIKOJNMI-UHFFFAOYSA-N 1 2 382.262 2.281 20 0 GEADLO Cc1cccc(N2CCC(NC(=O)CSc3n[nH]c(=S)s3)CC2)[nH+]1 ZINC000372714534 532402686 /nfs/dbraw/zinc/40/26/86/532402686.db2.gz LDMXHODSFQXOGY-UHFFFAOYSA-N 1 2 381.552 2.408 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C(=O)NCCc1cccs1)c1ccccc1Cl ZINC000559418696 532402210 /nfs/dbraw/zinc/40/22/10/532402210.db2.gz TULHVKUNFQMJHO-MRXNPFEDSA-N 1 2 379.913 2.479 20 0 GEADLO O=C(CCOc1cccc(I)c1)NCCc1[nH]cc[nH+]1 ZINC000426295055 532403674 /nfs/dbraw/zinc/40/36/74/532403674.db2.gz LPMMCKHTXVACKN-UHFFFAOYSA-N 1 2 385.205 2.142 20 0 GEADLO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000679473365 532405702 /nfs/dbraw/zinc/40/57/02/532405702.db2.gz XGNAPKKZHHXMFJ-CVEARBPZSA-N 1 2 393.336 2.354 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CCO1 ZINC000625023495 532406315 /nfs/dbraw/zinc/40/63/15/532406315.db2.gz BASLVVUZBQEIGI-QQDQCYIDSA-N 1 2 379.298 2.172 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CCO1 ZINC000625023495 532406327 /nfs/dbraw/zinc/40/63/27/532406327.db2.gz BASLVVUZBQEIGI-QQDQCYIDSA-N 1 2 379.298 2.172 20 0 GEADLO C[C@@H](NCc1ccc(F)cc1I)[C@H]1C[N@H+](C)CCO1 ZINC000591356028 532410016 /nfs/dbraw/zinc/41/00/16/532410016.db2.gz IKCCXLUTXNIIDC-QMTHXVAHSA-N 1 2 378.229 2.239 20 0 GEADLO C[C@@H](NCc1ccc(F)cc1I)[C@H]1C[N@@H+](C)CCO1 ZINC000591356028 532410021 /nfs/dbraw/zinc/41/00/21/532410021.db2.gz IKCCXLUTXNIIDC-QMTHXVAHSA-N 1 2 378.229 2.239 20 0 GEADLO O=S(=O)(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1c(F)cccc1Cl ZINC000372808364 532411857 /nfs/dbraw/zinc/41/18/57/532411857.db2.gz XOWLZOFBMNFCSI-IUODEOHRSA-N 1 2 376.881 2.258 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000372835705 532412393 /nfs/dbraw/zinc/41/23/93/532412393.db2.gz DJGGUSPHGUYIRB-VIFPVBQESA-N 1 2 380.297 2.073 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(Br)s1 ZINC000591600960 532413805 /nfs/dbraw/zinc/41/38/05/532413805.db2.gz KRJZQALCASYHJA-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1ccc(Br)s1 ZINC000591600960 532413811 /nfs/dbraw/zinc/41/38/11/532413811.db2.gz KRJZQALCASYHJA-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)CCN3CCCC3=O)[nH+]c12 ZINC000680403808 532413199 /nfs/dbraw/zinc/41/31/99/532413199.db2.gz UVFYVYNTZCVOKZ-UHFFFAOYSA-N 1 2 393.285 2.076 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000591588728 532414995 /nfs/dbraw/zinc/41/49/95/532414995.db2.gz MOVZGGFFBWOKOX-HOTGVXAUSA-N 1 2 382.302 2.279 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)C(C)(C)O)[nH+]c12 ZINC000680520107 532415819 /nfs/dbraw/zinc/41/58/19/532415819.db2.gz KIIYTBGVDWWHES-LLVKDONJSA-N 1 2 383.290 2.406 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCC3(CO)CCC3)[nH+]c12 ZINC000680519790 532416065 /nfs/dbraw/zinc/41/60/65/532416065.db2.gz XEKYDSGEFXDLID-UHFFFAOYSA-N 1 2 395.301 2.410 20 0 GEADLO COc1cc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c(Br)cc1O ZINC000649195851 532416494 /nfs/dbraw/zinc/41/64/94/532416494.db2.gz WNXQMAIKOXDXEU-JTQLQIEISA-N 1 2 380.242 2.239 20 0 GEADLO Cc1nc(N)c(CNC(=O)COc2ccc(Br)cc2Cl)c[nH+]1 ZINC000560499498 532417179 /nfs/dbraw/zinc/41/71/79/532417179.db2.gz CLNBFUWXBQDQNV-UHFFFAOYSA-N 1 2 385.649 2.478 20 0 GEADLO COc1ccc(S(=O)(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000517425521 532417298 /nfs/dbraw/zinc/41/72/98/532417298.db2.gz NRQQOAMWKJCRPQ-BETUJISGSA-N 1 2 376.906 2.126 20 0 GEADLO COc1ccc(S(=O)(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000517425521 532417300 /nfs/dbraw/zinc/41/73/00/532417300.db2.gz NRQQOAMWKJCRPQ-BETUJISGSA-N 1 2 376.906 2.126 20 0 GEADLO COc1cc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c(Br)cc1O ZINC000649239082 532418409 /nfs/dbraw/zinc/41/84/09/532418409.db2.gz VCULPLOLPHKPEK-SNVBAGLBSA-N 1 2 380.242 2.239 20 0 GEADLO CSc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000680977692 532420738 /nfs/dbraw/zinc/42/07/38/532420738.db2.gz WCROFDANFLGNMF-GJZGRUSLSA-N 1 2 390.958 2.282 20 0 GEADLO CCN(C(=O)C[N@H+](C)[C@H](C)CSc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000649664708 532420880 /nfs/dbraw/zinc/42/08/80/532420880.db2.gz PRBPQUFFHPPZHF-CVEARBPZSA-N 1 2 384.567 2.135 20 0 GEADLO CCN(C(=O)C[N@@H+](C)[C@H](C)CSc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000649664708 532420889 /nfs/dbraw/zinc/42/08/89/532420889.db2.gz PRBPQUFFHPPZHF-CVEARBPZSA-N 1 2 384.567 2.135 20 0 GEADLO CN1CCC[C@]2(CC[N@@H+]([C@H](C(N)=O)c3ccc(Br)cc3F)C2)C1=O ZINC000372900392 532419188 /nfs/dbraw/zinc/41/91/88/532419188.db2.gz BZWQFZZTDCYKCT-WMLDXEAASA-N 1 2 398.276 2.059 20 0 GEADLO CN1CCC[C@]2(CC[N@H+]([C@H](C(N)=O)c3ccc(Br)cc3F)C2)C1=O ZINC000372900392 532419192 /nfs/dbraw/zinc/41/91/92/532419192.db2.gz BZWQFZZTDCYKCT-WMLDXEAASA-N 1 2 398.276 2.059 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N(C)C[C@@H](O)C3CC3)[nH+]c12 ZINC000680614740 532419476 /nfs/dbraw/zinc/41/94/76/532419476.db2.gz WFQMUQMKSMXKNG-CQSZACIVSA-N 1 2 381.274 2.318 20 0 GEADLO Cc1nc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)ccc1Br ZINC000193036545 532419525 /nfs/dbraw/zinc/41/95/25/532419525.db2.gz YDCWRKWPQANJKR-UHFFFAOYSA-N 1 2 392.257 2.104 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)ncc1Br ZINC000193036601 532419584 /nfs/dbraw/zinc/41/95/84/532419584.db2.gz YYJDXQYPEHOMGV-UHFFFAOYSA-N 1 2 392.257 2.104 20 0 GEADLO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000372934376 532420327 /nfs/dbraw/zinc/42/03/27/532420327.db2.gz LWTGKJYVZZBPAY-GJZGRUSLSA-N 1 2 392.297 2.175 20 0 GEADLO O=S(=O)(C1C[NH+](CCCOCC(F)(F)F)C1)N1CCc2ccccc21 ZINC000681185687 532423682 /nfs/dbraw/zinc/42/36/82/532423682.db2.gz QCNWTKQLWSVKQU-UHFFFAOYSA-N 1 2 378.416 2.032 20 0 GEADLO Cc1nc(NC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)ccc1Br ZINC000193352842 532422643 /nfs/dbraw/zinc/42/26/43/532422643.db2.gz JFKALWDFZAHBSQ-UHFFFAOYSA-N 1 2 394.273 2.260 20 0 GEADLO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2c(Br)c(C)nn2C)C1 ZINC000281244192 532422694 /nfs/dbraw/zinc/42/26/94/532422694.db2.gz LZFPJYJAASPXSF-MRXNPFEDSA-N 1 2 388.306 2.283 20 0 GEADLO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2c(Br)c(C)nn2C)C1 ZINC000281244192 532422697 /nfs/dbraw/zinc/42/26/97/532422697.db2.gz LZFPJYJAASPXSF-MRXNPFEDSA-N 1 2 388.306 2.283 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000465885547 532422027 /nfs/dbraw/zinc/42/20/27/532422027.db2.gz CWCWUEWLCAPDRZ-SNVBAGLBSA-N 1 2 380.436 2.417 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000465885547 532422033 /nfs/dbraw/zinc/42/20/33/532422033.db2.gz CWCWUEWLCAPDRZ-SNVBAGLBSA-N 1 2 380.436 2.417 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000427468916 532424582 /nfs/dbraw/zinc/42/45/82/532424582.db2.gz IAROLZGSKVOONP-CQSZACIVSA-N 1 2 391.269 2.322 20 0 GEADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(CCO)Cc1cc(Br)cs1 ZINC000427543466 532426000 /nfs/dbraw/zinc/42/60/00/532426000.db2.gz MIILKIXNQVEIAL-LLVKDONJSA-N 1 2 384.299 2.291 20 0 GEADLO O=S(=O)(Nc1cnn(C2CC[NH+](C[C@@H]3CCC=CO3)CC2)c1)C(F)F ZINC000373058378 532428309 /nfs/dbraw/zinc/42/83/09/532428309.db2.gz QZUGSFDCKHNZEX-AWEZNQCLSA-N 1 2 376.429 2.177 20 0 GEADLO COC(=O)c1cccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)n1 ZINC000517845436 532428481 /nfs/dbraw/zinc/42/84/81/532428481.db2.gz PKEPAAFERQTCFU-UHFFFAOYSA-N 1 2 393.241 2.096 20 0 GEADLO COC(=O)c1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)n1 ZINC000517845436 532428484 /nfs/dbraw/zinc/42/84/84/532428484.db2.gz PKEPAAFERQTCFU-UHFFFAOYSA-N 1 2 393.241 2.096 20 0 GEADLO Cn1c(Cl)cnc1C[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000281648844 532429094 /nfs/dbraw/zinc/42/90/94/532429094.db2.gz JQQIYCHKEDGFES-UHFFFAOYSA-N 1 2 382.295 2.165 20 0 GEADLO COCCOc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cn1 ZINC000517934176 532430395 /nfs/dbraw/zinc/43/03/95/532430395.db2.gz PHLMDNWGEAFCKT-INIZCTEOSA-N 1 2 394.269 2.186 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cccc(Cl)c1Cl)C[NH+]1CCN(C)CC1 ZINC000193900045 532435765 /nfs/dbraw/zinc/43/57/65/532435765.db2.gz ZMKAHJAVWRGJCA-GFCCVEGCSA-N 1 2 380.341 2.155 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)CN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000591997381 532432421 /nfs/dbraw/zinc/43/24/21/532432421.db2.gz BROGBODRABOFTO-UWVGGRQHSA-N 1 2 383.217 2.497 20 0 GEADLO CS(=O)(=O)C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000682085353 532440888 /nfs/dbraw/zinc/44/08/88/532440888.db2.gz UCJVAGGONMQRDI-UHFFFAOYSA-N 1 2 380.279 2.476 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)[C@@H](C)C1 ZINC000193982572 532441049 /nfs/dbraw/zinc/44/10/49/532441049.db2.gz FLASSDMPKVZNQL-VHSXEESVSA-N 1 2 385.288 2.208 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)[C@@H](C)C1 ZINC000193982572 532441054 /nfs/dbraw/zinc/44/10/54/532441054.db2.gz FLASSDMPKVZNQL-VHSXEESVSA-N 1 2 385.288 2.208 20 0 GEADLO COc1ccc(-c2csc(NC(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O)n2)cc1 ZINC000467184690 532441047 /nfs/dbraw/zinc/44/10/47/532441047.db2.gz DGMZGQDEBQMPOX-UOXLDJKESA-N 1 2 381.523 2.456 20 0 GEADLO COc1ccc(-c2csc(NC(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O)n2)cc1 ZINC000467184690 532441055 /nfs/dbraw/zinc/44/10/55/532441055.db2.gz DGMZGQDEBQMPOX-UOXLDJKESA-N 1 2 381.523 2.456 20 0 GEADLO O=C(Cc1cccc(I)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427991907 532438968 /nfs/dbraw/zinc/43/89/68/532438968.db2.gz AKBMTZVCYJDPHI-CYBMUJFWSA-N 1 2 381.217 2.161 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)c2cnc3ncc(Br)cc3c2)CCO1 ZINC000681979149 532439785 /nfs/dbraw/zinc/43/97/85/532439785.db2.gz ACNKFRDEHMFBFA-UHFFFAOYSA-N 1 2 393.285 2.233 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)c2cnc3ncc(Br)cc3c2)CCO1 ZINC000681979149 532439790 /nfs/dbraw/zinc/43/97/90/532439790.db2.gz ACNKFRDEHMFBFA-UHFFFAOYSA-N 1 2 393.285 2.233 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CCO1 ZINC000428094989 532442524 /nfs/dbraw/zinc/44/25/24/532442524.db2.gz VXZSQVOUUWIYLI-CQSZACIVSA-N 1 2 385.295 2.411 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CCO1 ZINC000428094989 532442530 /nfs/dbraw/zinc/44/25/30/532442530.db2.gz VXZSQVOUUWIYLI-CQSZACIVSA-N 1 2 385.295 2.411 20 0 GEADLO O=S(=O)(Cc1ccccc1Br)N1CCN(c2cccc[nH+]2)CC1 ZINC000561524039 532442651 /nfs/dbraw/zinc/44/26/51/532442651.db2.gz BJXJDWSDFWZXOL-UHFFFAOYSA-N 1 2 396.310 2.496 20 0 GEADLO C[S@](=O)C1(CNC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000282065534 532443055 /nfs/dbraw/zinc/44/30/55/532443055.db2.gz CEVOCBAZBOMRAZ-VWLOTQADSA-N 1 2 383.945 2.468 20 0 GEADLO C[S@](=O)C1(CNC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000282065534 532443057 /nfs/dbraw/zinc/44/30/57/532443057.db2.gz CEVOCBAZBOMRAZ-VWLOTQADSA-N 1 2 383.945 2.468 20 0 GEADLO Cc1nc(C)n(C[C@@H]2C[N@H+](CCOc3cccc(Br)c3)CCO2)n1 ZINC000592254680 532443406 /nfs/dbraw/zinc/44/34/06/532443406.db2.gz KVSRNTMXOSKSBX-KRWDZBQOSA-N 1 2 395.301 2.437 20 0 GEADLO Cc1nc(C)n(C[C@@H]2C[N@@H+](CCOc3cccc(Br)c3)CCO2)n1 ZINC000592254680 532443411 /nfs/dbraw/zinc/44/34/11/532443411.db2.gz KVSRNTMXOSKSBX-KRWDZBQOSA-N 1 2 395.301 2.437 20 0 GEADLO Cc1cn2c([nH+]1)CN(C[C@@H](O)COc1cc(F)cc(Br)c1)CC2 ZINC000682219186 532443531 /nfs/dbraw/zinc/44/35/31/532443531.db2.gz PAZRLBKDZUTIBD-CQSZACIVSA-N 1 2 384.249 2.349 20 0 GEADLO O=C(c1cc(Br)c(F)cc1O)N1CC[NH+](C2CCOCC2)CC1 ZINC000295431120 532445842 /nfs/dbraw/zinc/44/58/42/532445842.db2.gz WQZVWHVZFDBDGU-UHFFFAOYSA-N 1 2 387.249 2.231 20 0 GEADLO CNc1[nH+]cnc2c1cnn2Cc1cc2c(cc1Br)OCCO2 ZINC000194417310 532448802 /nfs/dbraw/zinc/44/88/02/532448802.db2.gz YXSPBTIUAXCCMV-UHFFFAOYSA-N 1 2 376.214 2.450 20 0 GEADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(Cl)c(I)c2)C1 ZINC000519144224 532457596 /nfs/dbraw/zinc/45/75/96/532457596.db2.gz TYVPLLZDARKWIR-LLVKDONJSA-N 1 2 380.613 2.214 20 0 GEADLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(Cl)c(I)c2)C1 ZINC000519144224 532457602 /nfs/dbraw/zinc/45/76/02/532457602.db2.gz TYVPLLZDARKWIR-LLVKDONJSA-N 1 2 380.613 2.214 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000373525258 532455102 /nfs/dbraw/zinc/45/51/02/532455102.db2.gz YQMHRHXAZYIDJZ-ZIAGYGMSSA-N 1 2 386.901 2.074 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000373525258 532455111 /nfs/dbraw/zinc/45/51/11/532455111.db2.gz YQMHRHXAZYIDJZ-ZIAGYGMSSA-N 1 2 386.901 2.074 20 0 GEADLO CCOC(=O)C1([S@@](C)=O)CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000295535504 532456600 /nfs/dbraw/zinc/45/66/00/532456600.db2.gz JGUCWZCWYYNQNC-SGANQWHYSA-N 1 2 391.892 2.289 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](c2csc(C)c2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000373587590 532458737 /nfs/dbraw/zinc/45/87/37/532458737.db2.gz XWFWIDBMLGTCQC-YQQAZPJKSA-N 1 2 384.567 2.270 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](c2csc(C)c2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000373587590 532458742 /nfs/dbraw/zinc/45/87/42/532458742.db2.gz XWFWIDBMLGTCQC-YQQAZPJKSA-N 1 2 384.567 2.270 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCOc1cccc(Cl)c1Cl ZINC000519178063 532459690 /nfs/dbraw/zinc/45/96/90/532459690.db2.gz YSGDQDCMNZLNOP-LBPRGKRZSA-N 1 2 376.284 2.392 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCOc1cccc(Cl)c1Cl ZINC000519178063 532459695 /nfs/dbraw/zinc/45/96/95/532459695.db2.gz YSGDQDCMNZLNOP-LBPRGKRZSA-N 1 2 376.284 2.392 20 0 GEADLO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000468327965 532462642 /nfs/dbraw/zinc/46/26/42/532462642.db2.gz HVEOLPUCXUHZGT-GXTWGEPZSA-N 1 2 399.333 2.064 20 0 GEADLO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000468327965 532462644 /nfs/dbraw/zinc/46/26/44/532462644.db2.gz HVEOLPUCXUHZGT-GXTWGEPZSA-N 1 2 399.333 2.064 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000592759621 532461093 /nfs/dbraw/zinc/46/10/93/532461093.db2.gz HMWHECPCARVIOY-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000592759621 532461097 /nfs/dbraw/zinc/46/10/97/532461097.db2.gz HMWHECPCARVIOY-ZDUSSCGKSA-N 1 2 393.285 2.085 20 0 GEADLO CC(=O)N[C@H](CC(=O)NCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000519488858 532465696 /nfs/dbraw/zinc/46/56/96/532465696.db2.gz VKYNYXKLNCDHHD-OAHLLOKOSA-N 1 2 379.258 2.066 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)c1ccccc1F ZINC000373736203 532466392 /nfs/dbraw/zinc/46/63/92/532466392.db2.gz MRASEIDIGVNHAY-ZDUSSCGKSA-N 1 2 383.836 2.014 20 0 GEADLO CC(C)c1nnc(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)s1 ZINC000562525926 532469878 /nfs/dbraw/zinc/46/98/78/532469878.db2.gz PNLWNMCOSIOKQA-UHFFFAOYSA-N 1 2 377.495 2.385 20 0 GEADLO O=C(CCn1cc[nH+]c1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000468606985 532470046 /nfs/dbraw/zinc/47/00/46/532470046.db2.gz IRIFSLJNVWCHIG-UHFFFAOYSA-N 1 2 376.214 2.402 20 0 GEADLO O[C@@H](COC[C@@H]1CCCO1)C[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000684209215 532470526 /nfs/dbraw/zinc/47/05/26/532470526.db2.gz VPTSFMKBSDJELD-CABCVRRESA-N 1 2 386.286 2.200 20 0 GEADLO O[C@@H](COC[C@@H]1CCCO1)C[N@H+]1CCOc2c(Br)cccc2C1 ZINC000684209215 532470529 /nfs/dbraw/zinc/47/05/29/532470529.db2.gz VPTSFMKBSDJELD-CABCVRRESA-N 1 2 386.286 2.200 20 0 GEADLO Cc1ncc(Br)cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000519584734 532470581 /nfs/dbraw/zinc/47/05/81/532470581.db2.gz MKXIDYJECMMWAU-CQSZACIVSA-N 1 2 383.290 2.481 20 0 GEADLO CC(=O)N1CCC([N@H+](CCCS(=O)(=O)C(C)C)Cc2cncs2)CC1 ZINC000429173026 532471555 /nfs/dbraw/zinc/47/15/55/532471555.db2.gz UAYOFVBLILCHGQ-UHFFFAOYSA-N 1 2 387.571 2.169 20 0 GEADLO CC(=O)N1CCC([N@@H+](CCCS(=O)(=O)C(C)C)Cc2cncs2)CC1 ZINC000429173026 532471559 /nfs/dbraw/zinc/47/15/59/532471559.db2.gz UAYOFVBLILCHGQ-UHFFFAOYSA-N 1 2 387.571 2.169 20 0 GEADLO [NH3+][C@H]1CCCN(C(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)C1 ZINC000195117677 532471652 /nfs/dbraw/zinc/47/16/52/532471652.db2.gz AIFOVZBWTZEHMC-AWEZNQCLSA-N 1 2 379.507 2.041 20 0 GEADLO CCOc1c(Br)cc(C[N@@H+]2CC[C@H](NC(=O)NC)C2)cc1OC ZINC000468693899 532471765 /nfs/dbraw/zinc/47/17/65/532471765.db2.gz MMMUBELREIEGBA-LBPRGKRZSA-N 1 2 386.290 2.360 20 0 GEADLO CCOc1c(Br)cc(C[N@H+]2CC[C@H](NC(=O)NC)C2)cc1OC ZINC000468693899 532471769 /nfs/dbraw/zinc/47/17/69/532471769.db2.gz MMMUBELREIEGBA-LBPRGKRZSA-N 1 2 386.290 2.360 20 0 GEADLO CO[C@@H](C)CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000195243166 532472302 /nfs/dbraw/zinc/47/23/02/532472302.db2.gz IBRZNRGJXNXEPH-WFASDCNBSA-N 1 2 378.897 2.398 20 0 GEADLO CO[C@@H](C)CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000195243166 532472307 /nfs/dbraw/zinc/47/23/07/532472307.db2.gz IBRZNRGJXNXEPH-WFASDCNBSA-N 1 2 378.897 2.398 20 0 GEADLO Cc1ccc(Br)cc1-c1nnc(NC[C@H]2CN(C)CC[N@@H+]2C)s1 ZINC000468718494 532472868 /nfs/dbraw/zinc/47/28/68/532472868.db2.gz DXRIWCPQFFKHCN-ZDUSSCGKSA-N 1 2 396.358 2.934 20 0 GEADLO Cc1ccc(Br)cc1-c1nnc(NC[C@H]2CN(C)CC[N@H+]2C)s1 ZINC000468718494 532472874 /nfs/dbraw/zinc/47/28/74/532472874.db2.gz DXRIWCPQFFKHCN-ZDUSSCGKSA-N 1 2 396.358 2.934 20 0 GEADLO O=C(NCCn1cc[nH+]c1)C1(c2ccc(I)cc2)CC1 ZINC000282503793 532473143 /nfs/dbraw/zinc/47/31/43/532473143.db2.gz JUGFOVFZYSTIHM-UHFFFAOYSA-N 1 2 381.217 2.336 20 0 GEADLO CN1CCOC[C@@H]1CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000628917577 532476959 /nfs/dbraw/zinc/47/69/59/532476959.db2.gz KKHLHBRCFVRWQK-DLBZAZTESA-N 1 2 396.329 2.033 20 0 GEADLO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920833 532477104 /nfs/dbraw/zinc/47/71/04/532477104.db2.gz OUUZDPUYOJWWTG-CYBMUJFWSA-N 1 2 380.286 2.159 20 0 GEADLO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920833 532477113 /nfs/dbraw/zinc/47/71/13/532477113.db2.gz OUUZDPUYOJWWTG-CYBMUJFWSA-N 1 2 380.286 2.159 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000628915462 532477426 /nfs/dbraw/zinc/47/74/26/532477426.db2.gz BSGIUOIDDOCUCP-LBPRGKRZSA-N 1 2 378.885 2.342 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000628915462 532477431 /nfs/dbraw/zinc/47/74/31/532477431.db2.gz BSGIUOIDDOCUCP-LBPRGKRZSA-N 1 2 378.885 2.342 20 0 GEADLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628924078 532477634 /nfs/dbraw/zinc/47/76/34/532477634.db2.gz ZASBEMKRWYUSIF-ZDUSSCGKSA-N 1 2 380.286 2.228 20 0 GEADLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628924078 532477640 /nfs/dbraw/zinc/47/76/40/532477640.db2.gz ZASBEMKRWYUSIF-ZDUSSCGKSA-N 1 2 380.286 2.228 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@@H+]1CCSC2(CCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000562705846 532477689 /nfs/dbraw/zinc/47/76/89/532477689.db2.gz SJFSBPINTJWHLD-CVEARBPZSA-N 1 2 388.599 2.162 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@H+]1CCSC2(CCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000562705846 532477694 /nfs/dbraw/zinc/47/76/94/532477694.db2.gz SJFSBPINTJWHLD-CVEARBPZSA-N 1 2 388.599 2.162 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000628921883 532477755 /nfs/dbraw/zinc/47/77/55/532477755.db2.gz MKXZENMZUHSQEI-JTQLQIEISA-N 1 2 397.191 2.408 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000628921883 532477758 /nfs/dbraw/zinc/47/77/58/532477758.db2.gz MKXZENMZUHSQEI-JTQLQIEISA-N 1 2 397.191 2.408 20 0 GEADLO C[C@H](O)[C@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000562717405 532478979 /nfs/dbraw/zinc/47/89/79/532478979.db2.gz SPHSHMPISVENIN-IAOVAPTHSA-N 1 2 397.313 2.194 20 0 GEADLO Cc1cn2ccnc(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)c2n1 ZINC000468870933 532479343 /nfs/dbraw/zinc/47/93/43/532479343.db2.gz HWNQKVNNSUABKI-UHFFFAOYSA-N 1 2 385.225 2.378 20 0 GEADLO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc(Cl)c(F)c1 ZINC000651603460 532481005 /nfs/dbraw/zinc/48/10/05/532481005.db2.gz ZGFNRWNAILXMFW-HZPDHXFCSA-N 1 2 376.881 2.401 20 0 GEADLO C[C@H]([C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000468944442 532482164 /nfs/dbraw/zinc/48/21/64/532482164.db2.gz NXPMKXRNFLAUSR-ZIAGYGMSSA-N 1 2 386.945 2.490 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000468936897 532482725 /nfs/dbraw/zinc/48/27/25/532482725.db2.gz JBURRKJNVPDEDF-GFCCVEGCSA-N 1 2 387.889 2.308 20 0 GEADLO CCOC(=O)[C@H](F)C1C[NH+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000295860160 532482777 /nfs/dbraw/zinc/48/27/77/532482777.db2.gz DWAJOLPHJFHHIX-ZIAGYGMSSA-N 1 2 378.213 2.455 20 0 GEADLO O=C(Nc1nnc2ccc(Br)cn21)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000295871738 532483282 /nfs/dbraw/zinc/48/32/82/532483282.db2.gz LMWWBIIEHWGNKQ-ZDUSSCGKSA-N 1 2 394.273 2.074 20 0 GEADLO O=C(Nc1nnc2ccc(Br)cn21)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000295871738 532483289 /nfs/dbraw/zinc/48/32/89/532483289.db2.gz LMWWBIIEHWGNKQ-ZDUSSCGKSA-N 1 2 394.273 2.074 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684853193 532486258 /nfs/dbraw/zinc/48/62/58/532486258.db2.gz GSSVFTWLBBNULL-NSHDSACASA-N 1 2 378.841 2.293 20 0 GEADLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1nc(N)nc(Cl)n1 ZINC000295915385 532487431 /nfs/dbraw/zinc/48/74/31/532487431.db2.gz FYPXEHOJUNBBAZ-RLCGTCKNSA-N 1 2 381.267 2.383 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000562933049 532489218 /nfs/dbraw/zinc/48/92/18/532489218.db2.gz SZZQYWTZWIIUKS-PHIMTYICSA-N 1 2 389.315 2.421 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000562933049 532489226 /nfs/dbraw/zinc/48/92/26/532489226.db2.gz SZZQYWTZWIIUKS-PHIMTYICSA-N 1 2 389.315 2.421 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CSc2n[nH]c(=S)s2)C[C@H](C)O1 ZINC000374095844 532489347 /nfs/dbraw/zinc/48/93/47/532489347.db2.gz VZBWEAANNOZAQB-TUAOUCFPSA-N 1 2 388.584 2.019 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CSc2n[nH]c(=S)s2)C[C@H](C)O1 ZINC000374095844 532489356 /nfs/dbraw/zinc/48/93/56/532489356.db2.gz VZBWEAANNOZAQB-TUAOUCFPSA-N 1 2 388.584 2.019 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1cc(Br)co1 ZINC000629433545 532491215 /nfs/dbraw/zinc/49/12/15/532491215.db2.gz PXEGZURWTVOVKB-AWEZNQCLSA-N 1 2 380.242 2.068 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1cc(Br)co1 ZINC000629433545 532491221 /nfs/dbraw/zinc/49/12/21/532491221.db2.gz PXEGZURWTVOVKB-AWEZNQCLSA-N 1 2 380.242 2.068 20 0 GEADLO CS(=O)(=O)c1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)s1 ZINC000469128546 532492566 /nfs/dbraw/zinc/49/25/66/532492566.db2.gz WUNBOKYJWIDUGE-MRXNPFEDSA-N 1 2 382.482 2.400 20 0 GEADLO CNC(=O)[C@]1(C)CC[N@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000430265137 532493676 /nfs/dbraw/zinc/49/36/76/532493676.db2.gz YUIOTIYYGHDMTI-OAHLLOKOSA-N 1 2 379.309 2.225 20 0 GEADLO CNC(=O)[C@]1(C)CC[N@@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000430265137 532493684 /nfs/dbraw/zinc/49/36/84/532493684.db2.gz YUIOTIYYGHDMTI-OAHLLOKOSA-N 1 2 379.309 2.225 20 0 GEADLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000562622652 532474408 /nfs/dbraw/zinc/47/44/08/532474408.db2.gz VKWGZADMQQWCGZ-KOLCDFICSA-N 1 2 380.666 2.336 20 0 GEADLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000562622652 532474413 /nfs/dbraw/zinc/47/44/13/532474413.db2.gz VKWGZADMQQWCGZ-KOLCDFICSA-N 1 2 380.666 2.336 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000282539236 532475259 /nfs/dbraw/zinc/47/52/59/532475259.db2.gz SGDXFTIEPLFOGO-HNNXBMFYSA-N 1 2 398.301 2.246 20 0 GEADLO CC(C)Cc1ncnc(NCCCn2cc[nH+]c2)c1I ZINC000429347655 532475220 /nfs/dbraw/zinc/47/52/20/532475220.db2.gz XLDVXYYXODFVMJ-UHFFFAOYSA-N 1 2 385.253 2.978 20 0 GEADLO Cc1c(C(=O)NC[C@@H]2COCC[N@H+]2C)cnn1-c1ccc(Br)cc1 ZINC000628923509 532475924 /nfs/dbraw/zinc/47/59/24/532475924.db2.gz UZEUNNWIAHMAOH-OAHLLOKOSA-N 1 2 393.285 2.004 20 0 GEADLO Cc1c(C(=O)NC[C@@H]2COCC[N@@H+]2C)cnn1-c1ccc(Br)cc1 ZINC000628923509 532475936 /nfs/dbraw/zinc/47/59/36/532475936.db2.gz UZEUNNWIAHMAOH-OAHLLOKOSA-N 1 2 393.285 2.004 20 0 GEADLO C[C@@H](C(=O)NCCc1ccc(Br)cc1Cl)[NH+]1CCOCC1 ZINC000564224334 532518899 /nfs/dbraw/zinc/51/88/99/532518899.db2.gz KCRYZBGQIQSHFK-NSHDSACASA-N 1 2 375.694 2.482 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000296203744 532505793 /nfs/dbraw/zinc/50/57/93/532505793.db2.gz CYDULIXFYGJYKK-UHFFFAOYSA-N 1 2 395.232 2.010 20 0 GEADLO CC(=O)N[C@@H](CC(=O)N(C)Cc1[nH]cc[nH+]1)c1ccc(Br)cc1 ZINC000521138032 532506148 /nfs/dbraw/zinc/50/61/48/532506148.db2.gz CAXIRYGHZSCIGG-AWEZNQCLSA-N 1 2 379.258 2.398 20 0 GEADLO Cc1cc[nH+]c(N2CCN(Cc3cc(Cl)cc(S(N)(=O)=O)c3)CC2)c1 ZINC000564216517 532518951 /nfs/dbraw/zinc/51/89/51/532518951.db2.gz VLCXJAVNWIZHLX-UHFFFAOYSA-N 1 2 380.901 2.013 20 0 GEADLO Cc1csc(Sc2ccc(NC(=O)CN3CC[NH2+]CC3=O)c(C)c2)n1 ZINC000237650845 532509313 /nfs/dbraw/zinc/50/93/13/532509313.db2.gz MDLRQQLZYRUHOQ-UHFFFAOYSA-N 1 2 376.507 2.281 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)Nc1nnc2ccc(Br)cn21 ZINC000652391905 532511547 /nfs/dbraw/zinc/51/15/47/532511547.db2.gz REUHIZHFALUXEB-UHFFFAOYSA-N 1 2 375.230 2.206 20 0 GEADLO COC(=O)c1ccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)[nH]1 ZINC000431397009 532512324 /nfs/dbraw/zinc/51/23/24/532512324.db2.gz RKLPIVKUUGQZPJ-UHFFFAOYSA-N 1 2 377.198 2.142 20 0 GEADLO CO[C@](C)(C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC1 ZINC000563940260 532514007 /nfs/dbraw/zinc/51/40/07/532514007.db2.gz IUGGBIFGEQMWDQ-INIZCTEOSA-N 1 2 384.274 2.434 20 0 GEADLO C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ncc(Br)cn1 ZINC000431507507 532514104 /nfs/dbraw/zinc/51/41/04/532514104.db2.gz SXENKVFGZOGZSO-NEPJUHHUSA-N 1 2 393.289 2.411 20 0 GEADLO C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ncc(Br)cn1 ZINC000431507507 532514107 /nfs/dbraw/zinc/51/41/07/532514107.db2.gz SXENKVFGZOGZSO-NEPJUHHUSA-N 1 2 393.289 2.411 20 0 GEADLO COC(=O)[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]1C ZINC000469841301 532514373 /nfs/dbraw/zinc/51/43/73/532514373.db2.gz LEVMACQJHJNIRA-RISCZKNCSA-N 1 2 390.299 2.106 20 0 GEADLO COC(=O)[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]1C ZINC000469841301 532514380 /nfs/dbraw/zinc/51/43/80/532514380.db2.gz LEVMACQJHJNIRA-RISCZKNCSA-N 1 2 390.299 2.106 20 0 GEADLO COCC1(NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCC1 ZINC000563938932 532514856 /nfs/dbraw/zinc/51/48/56/532514856.db2.gz ITSZWCGSWLTSJL-UHFFFAOYSA-N 1 2 399.289 2.371 20 0 GEADLO Nc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c[nH+]1 ZINC000238019297 532515157 /nfs/dbraw/zinc/51/51/57/532515157.db2.gz MIYLFYXPLHFQCO-UHFFFAOYSA-N 1 2 380.857 2.354 20 0 GEADLO Nc1ccc(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)c[nH+]1 ZINC000237996489 532515401 /nfs/dbraw/zinc/51/54/01/532515401.db2.gz LUHJCHRPWGLBCD-ZDUSSCGKSA-N 1 2 375.226 2.418 20 0 GEADLO COc1ccc(S(=O)(=O)NCc2c[nH+]ccc2OC)cc1Br ZINC000431562745 532516064 /nfs/dbraw/zinc/51/60/64/532516064.db2.gz DVJPSSBYGKMCJH-UHFFFAOYSA-N 1 2 387.255 2.340 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000283096758 532518423 /nfs/dbraw/zinc/51/84/23/532518423.db2.gz RLMRKRYGJSHXCB-BMIGLBTASA-N 1 2 379.258 2.097 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000283096758 532518431 /nfs/dbraw/zinc/51/84/31/532518431.db2.gz RLMRKRYGJSHXCB-BMIGLBTASA-N 1 2 379.258 2.097 20 0 GEADLO O=C(c1cccc(I)c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374382398 532500418 /nfs/dbraw/zinc/50/04/18/532500418.db2.gz AAEXOTHCLXPCNW-OAHLLOKOSA-N 1 2 393.228 2.473 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000520898095 532500818 /nfs/dbraw/zinc/50/08/18/532500818.db2.gz ZAIKPJXFYQELSQ-UHFFFAOYSA-N 1 2 377.451 2.238 20 0 GEADLO O=C(N1CC[NH2+][C@@H](c2ccncc2)C1)C1(c2cncc(Br)c2)CC1 ZINC000374379180 532501336 /nfs/dbraw/zinc/50/13/36/532501336.db2.gz VLEQEFWBEHHDQX-MRXNPFEDSA-N 1 2 387.281 2.444 20 0 GEADLO O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000374388928 532501354 /nfs/dbraw/zinc/50/13/54/532501354.db2.gz DVTGSFLCDOXMFF-INIZCTEOSA-N 1 2 376.913 2.122 20 0 GEADLO C[C@H]([C@H](C)NC(=O)Cc1csc(CCC(F)(F)F)n1)[NH+]1CCOCC1 ZINC000630936549 532535860 /nfs/dbraw/zinc/53/58/60/532535860.db2.gz VRGSSERWSBSTOX-NWDGAFQWSA-N 1 2 379.448 2.406 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000630948558 532535994 /nfs/dbraw/zinc/53/59/94/532535994.db2.gz HQFFMEXIOCZKED-GQAVTEOGSA-N 1 2 392.341 2.087 20 0 GEADLO COc1ccc(OC)c(S(=O)(=O)Nc2cc[nH+]c(C)c2Br)c1 ZINC000525871057 532536343 /nfs/dbraw/zinc/53/63/43/532536343.db2.gz VDCKELPODXOQPT-UHFFFAOYSA-N 1 2 387.255 2.392 20 0 GEADLO O=C(NCc1ccccc1Br)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000283432003 532538338 /nfs/dbraw/zinc/53/83/38/532538338.db2.gz BPFVCMSHJPWNNF-ZDUSSCGKSA-N 1 2 391.269 2.195 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1c[nH]nc1[C@H]1CCOC1 ZINC000432401693 532538180 /nfs/dbraw/zinc/53/81/80/532538180.db2.gz OPSICPCKOFQURW-JTQLQIEISA-N 1 2 390.241 2.254 20 0 GEADLO COC(=O)C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000470914162 532539144 /nfs/dbraw/zinc/53/91/44/532539144.db2.gz VFSXYEMHXBXXHW-GFCCVEGCSA-N 1 2 392.677 2.480 20 0 GEADLO COC(=O)C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000470914162 532539149 /nfs/dbraw/zinc/53/91/49/532539149.db2.gz VFSXYEMHXBXXHW-GFCCVEGCSA-N 1 2 392.677 2.480 20 0 GEADLO Cc1csc(C(=O)NCCc2c[nH+]cn2C)c1I ZINC000526064433 532539790 /nfs/dbraw/zinc/53/97/90/532539790.db2.gz LNATVFPFLFTYJQ-UHFFFAOYSA-N 1 2 375.235 2.367 20 0 GEADLO CC(=O)Nc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cn1 ZINC000432501767 532539808 /nfs/dbraw/zinc/53/98/08/532539808.db2.gz MYRDBJLUPMOIGF-OAHLLOKOSA-N 1 2 377.242 2.119 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1ccnc(Br)c1 ZINC000296765731 532540362 /nfs/dbraw/zinc/54/03/62/532540362.db2.gz FNDYGXWXRDVBOL-UHFFFAOYSA-N 1 2 395.261 2.017 20 0 GEADLO Brc1cc2c(cc1C[N@@H+]1CCC[C@H](N3CCOCC3)C1)OCO2 ZINC000653717935 532540794 /nfs/dbraw/zinc/54/07/94/532540794.db2.gz QBQCOEQDKACOTA-AWEZNQCLSA-N 1 2 383.286 2.474 20 0 GEADLO Brc1cc2c(cc1C[N@H+]1CCC[C@H](N3CCOCC3)C1)OCO2 ZINC000653717935 532540802 /nfs/dbraw/zinc/54/08/02/532540802.db2.gz QBQCOEQDKACOTA-AWEZNQCLSA-N 1 2 383.286 2.474 20 0 GEADLO Cc1nccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1Br ZINC000526098337 532541113 /nfs/dbraw/zinc/54/11/13/532541113.db2.gz YFZRDJXLUMCJFV-UHFFFAOYSA-N 1 2 378.274 2.471 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCCC[C@@H](SCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246580252 532541104 /nfs/dbraw/zinc/54/11/04/532541104.db2.gz HSPNRMWQYSENAO-YESZJQIVSA-N 1 2 390.615 2.408 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCCC[C@@H](SCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246580252 532541109 /nfs/dbraw/zinc/54/11/09/532541109.db2.gz HSPNRMWQYSENAO-YESZJQIVSA-N 1 2 390.615 2.408 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(Br)ccc3OC)C2)nn1 ZINC000375196278 532541814 /nfs/dbraw/zinc/54/18/14/532541814.db2.gz GXGCZLZFZUDMRZ-ZDUSSCGKSA-N 1 2 395.257 2.283 20 0 GEADLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(Br)ccc3OC)C2)nn1 ZINC000375196278 532541819 /nfs/dbraw/zinc/54/18/19/532541819.db2.gz GXGCZLZFZUDMRZ-ZDUSSCGKSA-N 1 2 395.257 2.283 20 0 GEADLO Cc1nc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)sc1Br ZINC000375198124 532542291 /nfs/dbraw/zinc/54/22/91/532542291.db2.gz UFJPLHXWXYBNPQ-QMMMGPOBSA-N 1 2 377.289 2.463 20 0 GEADLO CCN1CCN([C@@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000471083851 532542626 /nfs/dbraw/zinc/54/26/26/532542626.db2.gz YEZWROIYRHRHIR-HUUCEWRRSA-N 1 2 392.301 2.077 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000375194888 532542709 /nfs/dbraw/zinc/54/27/09/532542709.db2.gz NGEFOSBYDMYJAO-STQMWFEESA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000375194888 532542717 /nfs/dbraw/zinc/54/27/17/532542717.db2.gz NGEFOSBYDMYJAO-STQMWFEESA-N 1 2 386.901 2.374 20 0 GEADLO C[C@H]1C[C@H](NC(=O)CS(=O)(=O)c2cccc(Br)c2)c2[nH+]ccn21 ZINC000654013440 532543935 /nfs/dbraw/zinc/54/39/35/532543935.db2.gz YJUAYLZHZWZVCS-GWCFXTLKSA-N 1 2 398.282 2.242 20 0 GEADLO C[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)c2cccc(Br)c2)c2[nH+]ccn21 ZINC000654013443 532544877 /nfs/dbraw/zinc/54/48/77/532544877.db2.gz YJUAYLZHZWZVCS-ZWNOBZJWSA-N 1 2 398.282 2.242 20 0 GEADLO C[C@@H](c1nnc(-c2cccc(F)c2)s1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000374876878 532522325 /nfs/dbraw/zinc/52/23/25/532522325.db2.gz NKPZZRYYAODPRQ-RYUDHWBXSA-N 1 2 384.502 2.406 20 0 GEADLO C[C@@H](c1nnc(-c2cccc(F)c2)s1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000374876878 532522331 /nfs/dbraw/zinc/52/23/31/532522331.db2.gz NKPZZRYYAODPRQ-RYUDHWBXSA-N 1 2 384.502 2.406 20 0 GEADLO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522313848 532523365 /nfs/dbraw/zinc/52/33/65/532523365.db2.gz LRTKSRIPZZXXNU-RYUDHWBXSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522313848 532523371 /nfs/dbraw/zinc/52/33/71/532523371.db2.gz LRTKSRIPZZXXNU-RYUDHWBXSA-N 1 2 389.265 2.192 20 0 GEADLO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283263133 532527791 /nfs/dbraw/zinc/52/77/91/532527791.db2.gz MUZGICBUXZYCFR-LBPRGKRZSA-N 1 2 383.279 2.444 20 0 GEADLO O=C(NCCn1cc[nH+]c1)C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000283266589 532529117 /nfs/dbraw/zinc/52/91/17/532529117.db2.gz FQCJSHXTMTYOAM-UHFFFAOYSA-N 1 2 397.298 2.015 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2F)CC1 ZINC000630720648 532529355 /nfs/dbraw/zinc/52/93/55/532529355.db2.gz VTDHHSUMRACURT-UHFFFAOYSA-N 1 2 376.259 2.417 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2F)CC1 ZINC000630720648 532529359 /nfs/dbraw/zinc/52/93/59/532529359.db2.gz VTDHHSUMRACURT-UHFFFAOYSA-N 1 2 376.259 2.417 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)c2csc(I)c2)CCO1 ZINC000470460704 532530006 /nfs/dbraw/zinc/53/00/06/532530006.db2.gz YEDCPGFQXUWTHS-NSHDSACASA-N 1 2 394.278 2.193 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)c2csc(I)c2)CCO1 ZINC000470460704 532530011 /nfs/dbraw/zinc/53/00/11/532530011.db2.gz YEDCPGFQXUWTHS-NSHDSACASA-N 1 2 394.278 2.193 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(I)cc2)CCO1 ZINC000470464865 532530067 /nfs/dbraw/zinc/53/00/67/532530067.db2.gz RUKLYGDVDINXER-CQSZACIVSA-N 1 2 388.249 2.132 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(I)cc2)CCO1 ZINC000470464865 532530074 /nfs/dbraw/zinc/53/00/74/532530074.db2.gz RUKLYGDVDINXER-CQSZACIVSA-N 1 2 388.249 2.132 20 0 GEADLO COc1c(N)[nH+]cnc1NCCC(=O)Nc1cc(Br)ccc1C ZINC000564740187 532530881 /nfs/dbraw/zinc/53/08/81/532530881.db2.gz JYKGIVONIHYGNC-UHFFFAOYSA-N 1 2 380.246 2.579 20 0 GEADLO COc1c(N)nc[nH+]c1NCCC(=O)Nc1cc(Br)ccc1C ZINC000564740187 532530884 /nfs/dbraw/zinc/53/08/84/532530884.db2.gz JYKGIVONIHYGNC-UHFFFAOYSA-N 1 2 380.246 2.579 20 0 GEADLO O=C(c1cc(Cn2cc(Br)cn2)on1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375066984 532531214 /nfs/dbraw/zinc/53/12/14/532531214.db2.gz VCGPWTTXPFGKST-CYBMUJFWSA-N 1 2 391.229 2.382 20 0 GEADLO COc1cc[nH+]cc1CNC(=O)NCC(=O)Nc1cccc(Br)c1 ZINC000432238962 532531327 /nfs/dbraw/zinc/53/13/27/532531327.db2.gz WPIULMXJVMQVEY-UHFFFAOYSA-N 1 2 393.241 2.291 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1C[C@H](C)O ZINC000246202624 532534003 /nfs/dbraw/zinc/53/40/03/532534003.db2.gz PWZNQPKPVGGJNW-STQMWFEESA-N 1 2 380.432 2.171 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[N@H+]1C[C@H](C)O ZINC000246202624 532534006 /nfs/dbraw/zinc/53/40/06/532534006.db2.gz PWZNQPKPVGGJNW-STQMWFEESA-N 1 2 380.432 2.171 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000375115774 532534938 /nfs/dbraw/zinc/53/49/38/532534938.db2.gz WBIMQRANEMEDIY-LLVKDONJSA-N 1 2 383.857 2.038 20 0 GEADLO COC(=O)CCN1CCC[C@H]([N@@H+]2CCc3c(Br)cccc3C2)C1=O ZINC000595297936 532552639 /nfs/dbraw/zinc/55/26/39/532552639.db2.gz LCQIIQRKBANYIM-INIZCTEOSA-N 1 2 395.297 2.361 20 0 GEADLO COC(=O)CCN1CCC[C@H]([N@H+]2CCc3c(Br)cccc3C2)C1=O ZINC000595297936 532552644 /nfs/dbraw/zinc/55/26/44/532552644.db2.gz LCQIIQRKBANYIM-INIZCTEOSA-N 1 2 395.297 2.361 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O)c1ccc(Br)cc1 ZINC000248631075 532553111 /nfs/dbraw/zinc/55/31/11/532553111.db2.gz WLZHBBZVEKMIMY-SJKOYZFVSA-N 1 2 382.302 2.356 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O)c1ccc(Br)cc1 ZINC000248631075 532553117 /nfs/dbraw/zinc/55/31/17/532553117.db2.gz WLZHBBZVEKMIMY-SJKOYZFVSA-N 1 2 382.302 2.356 20 0 GEADLO COCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000433010945 532553665 /nfs/dbraw/zinc/55/36/65/532553665.db2.gz ZMDDCQRCYUWBHV-LBPRGKRZSA-N 1 2 393.285 2.353 20 0 GEADLO CCN1CCN(C(=O)COc2ccc(Br)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433115298 532554798 /nfs/dbraw/zinc/55/47/98/532554798.db2.gz OZGHWYMVGIBPAJ-HNNXBMFYSA-N 1 2 393.285 2.456 20 0 GEADLO COCCN(C(C)=O)c1nc(C[N@H+](CCOC)[C@@H]2CCCSC2)cs1 ZINC000433194145 532557115 /nfs/dbraw/zinc/55/71/15/532557115.db2.gz VCSYLILDJVRUGF-MRXNPFEDSA-N 1 2 387.571 2.486 20 0 GEADLO COCCN(C(C)=O)c1nc(C[N@@H+](CCOC)[C@@H]2CCCSC2)cs1 ZINC000433194145 532557119 /nfs/dbraw/zinc/55/71/19/532557119.db2.gz VCSYLILDJVRUGF-MRXNPFEDSA-N 1 2 387.571 2.486 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1c[nH]nc1C(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000631726268 532557973 /nfs/dbraw/zinc/55/79/73/532557973.db2.gz AWCVDZFGAUXVHQ-VIFPVBQESA-N 1 2 394.444 2.215 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1c[nH]nc1C(F)(F)F)[N@H+]1CCc2sccc2C1 ZINC000631726268 532557977 /nfs/dbraw/zinc/55/79/77/532557977.db2.gz AWCVDZFGAUXVHQ-VIFPVBQESA-N 1 2 394.444 2.215 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000471767849 532558228 /nfs/dbraw/zinc/55/82/28/532558228.db2.gz HQUZSERRSAWRPC-NSHDSACASA-N 1 2 387.249 2.298 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c(Cl)cc1F ZINC000471791312 532558811 /nfs/dbraw/zinc/55/88/11/532558811.db2.gz ILYUSFOAWOZFLH-HNNXBMFYSA-N 1 2 378.897 2.423 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)c1cc(F)c(F)cc1I ZINC000471796859 532558894 /nfs/dbraw/zinc/55/88/94/532558894.db2.gz FGNBNGUXMCLFSS-UHFFFAOYSA-N 1 2 377.132 2.233 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(Cl)cc1F ZINC000249076691 532561079 /nfs/dbraw/zinc/56/10/79/532561079.db2.gz OBNNDNUMGMFBKD-GFCCVEGCSA-N 1 2 378.897 2.253 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c(Cl)cc1F ZINC000249076691 532561082 /nfs/dbraw/zinc/56/10/82/532561082.db2.gz OBNNDNUMGMFBKD-GFCCVEGCSA-N 1 2 378.897 2.253 20 0 GEADLO C[C@H](OCC1CC1)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000654483975 532563112 /nfs/dbraw/zinc/56/31/12/532563112.db2.gz DNMDDTUIMIOUPW-NSHDSACASA-N 1 2 384.274 2.434 20 0 GEADLO CC(C)OC[C@H](CO)N(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000433322900 532563412 /nfs/dbraw/zinc/56/34/12/532563412.db2.gz SKHQPGXUDLVICA-AWEZNQCLSA-N 1 2 399.289 2.024 20 0 GEADLO NC(=O)[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1C(F)(F)F ZINC000375514503 532563517 /nfs/dbraw/zinc/56/35/17/532563517.db2.gz YFBXOGAHYRQXLE-GIPNMCIBSA-N 1 2 375.778 2.041 20 0 GEADLO NC(=O)[C@@H]1C[N@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1C(F)(F)F ZINC000375514503 532563521 /nfs/dbraw/zinc/56/35/21/532563521.db2.gz YFBXOGAHYRQXLE-GIPNMCIBSA-N 1 2 375.778 2.041 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528408531 532563982 /nfs/dbraw/zinc/56/39/82/532563982.db2.gz QRIQYZLHCVMLPQ-SNVBAGLBSA-N 1 2 397.285 2.489 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000528408531 532563987 /nfs/dbraw/zinc/56/39/87/532563987.db2.gz QRIQYZLHCVMLPQ-SNVBAGLBSA-N 1 2 397.285 2.489 20 0 GEADLO Cc1nc(N2CCN(C(=O)Cc3ccc(Br)cc3O)CC2)cc[nH+]1 ZINC000433362032 532564505 /nfs/dbraw/zinc/56/45/05/532564505.db2.gz OPEIWGCYKUOHRL-UHFFFAOYSA-N 1 2 391.269 2.144 20 0 GEADLO COC(=O)CCN1CCC[C@@H]([N@@H+]2CCc3cc(Br)ccc3C2)C1=O ZINC000595452583 532565075 /nfs/dbraw/zinc/56/50/75/532565075.db2.gz BRAKWVLHHDBCQO-MRXNPFEDSA-N 1 2 395.297 2.361 20 0 GEADLO COC(=O)CCN1CCC[C@@H]([N@H+]2CCc3cc(Br)ccc3C2)C1=O ZINC000595452583 532565082 /nfs/dbraw/zinc/56/50/82/532565082.db2.gz BRAKWVLHHDBCQO-MRXNPFEDSA-N 1 2 395.297 2.361 20 0 GEADLO COC(=O)CCN1CC[C@H]([N@@H+]2CCc3c(Br)cc(C)cc3C2)C1=O ZINC000595449080 532565951 /nfs/dbraw/zinc/56/59/51/532565951.db2.gz MZBRQABCHJEFIZ-INIZCTEOSA-N 1 2 395.297 2.280 20 0 GEADLO COC(=O)CCN1CC[C@H]([N@H+]2CCc3c(Br)cc(C)cc3C2)C1=O ZINC000595449080 532565954 /nfs/dbraw/zinc/56/59/54/532565954.db2.gz MZBRQABCHJEFIZ-INIZCTEOSA-N 1 2 395.297 2.280 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000283921646 532566335 /nfs/dbraw/zinc/56/63/35/532566335.db2.gz IVRVCMCUTHZTLS-BLLLJJGKSA-N 1 2 397.317 2.315 20 0 GEADLO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000249479532 532567643 /nfs/dbraw/zinc/56/76/43/532567643.db2.gz WJZCIBXHPULUKY-HLLBOEOZSA-N 1 2 384.567 2.384 20 0 GEADLO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000249479532 532567650 /nfs/dbraw/zinc/56/76/50/532567650.db2.gz WJZCIBXHPULUKY-HLLBOEOZSA-N 1 2 384.567 2.384 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)[C@@H](OC)c2ccccc2Br)CC1 ZINC000654769207 532567738 /nfs/dbraw/zinc/56/77/38/532567738.db2.gz SQOQVYWMFLUUAL-INIZCTEOSA-N 1 2 385.302 2.317 20 0 GEADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)CCOCC(F)F)c2ccc(Cl)cc2)C1 ZINC000249627368 532569384 /nfs/dbraw/zinc/56/93/84/532569384.db2.gz QICMGZAWOLCKQF-PBHICJAKSA-N 1 2 376.831 2.500 20 0 GEADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)CCOCC(F)F)c2ccc(Cl)cc2)C1 ZINC000249627368 532569388 /nfs/dbraw/zinc/56/93/88/532569388.db2.gz QICMGZAWOLCKQF-PBHICJAKSA-N 1 2 376.831 2.500 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)NCCCCn1cc(Br)cn1 ZINC000527155845 532546142 /nfs/dbraw/zinc/54/61/42/532546142.db2.gz VUQJDAMBBBCPHL-UHFFFAOYSA-N 1 2 383.294 2.402 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CCO1 ZINC000565079168 532546587 /nfs/dbraw/zinc/54/65/87/532546587.db2.gz CGARQORJEAPHCW-VIFPVBQESA-N 1 2 394.686 2.422 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CCO1 ZINC000565079168 532546588 /nfs/dbraw/zinc/54/65/88/532546588.db2.gz CGARQORJEAPHCW-VIFPVBQESA-N 1 2 394.686 2.422 20 0 GEADLO CC(C)NS(=O)(=O)c1cccnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000432876805 532546940 /nfs/dbraw/zinc/54/69/40/532546940.db2.gz CFQVUFKVUMSTAW-UHFFFAOYSA-N 1 2 380.539 2.152 20 0 GEADLO Cc1nc(N(C)Cc2cccc(Br)c2OCC(C)(C)O)nc(N)[nH+]1 ZINC000631238733 532549568 /nfs/dbraw/zinc/54/95/68/532549568.db2.gz OBCRVXRSDICZRG-UHFFFAOYSA-N 1 2 396.289 2.311 20 0 GEADLO Cc1nc(N)nc(N(C)Cc2cccc(Br)c2OCC(C)(C)O)[nH+]1 ZINC000631238733 532549574 /nfs/dbraw/zinc/54/95/74/532549574.db2.gz OBCRVXRSDICZRG-UHFFFAOYSA-N 1 2 396.289 2.311 20 0 GEADLO COC(=O)c1ccc(C[NH+]2CCN(c3cccnn3)CC2)c(Br)c1 ZINC000284271479 532582659 /nfs/dbraw/zinc/58/26/59/532582659.db2.gz GXJNUSPVDUNHAO-UHFFFAOYSA-N 1 2 391.269 2.348 20 0 GEADLO COC(=O)[C@H](NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1ccccc1Br ZINC000596046840 532583924 /nfs/dbraw/zinc/58/39/24/532583924.db2.gz SDOKPTGEUAOZMM-HEHGZKQESA-N 1 2 385.302 2.362 20 0 GEADLO COC(=O)[C@H](NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1ccccc1Br ZINC000596046840 532583929 /nfs/dbraw/zinc/58/39/29/532583929.db2.gz SDOKPTGEUAOZMM-HEHGZKQESA-N 1 2 385.302 2.362 20 0 GEADLO CCS(=O)(=O)C[C@H](C)NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000297392385 532587530 /nfs/dbraw/zinc/58/75/30/532587530.db2.gz WNKZYHWAWZCDST-BBRMVZONSA-N 1 2 387.571 2.134 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1ccc(Br)cc1 ZINC000434129585 532588340 /nfs/dbraw/zinc/58/83/40/532588340.db2.gz ZGPPNONHXUCBOG-AWEZNQCLSA-N 1 2 384.318 2.354 20 0 GEADLO O[C@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000473446261 532591050 /nfs/dbraw/zinc/59/10/50/532591050.db2.gz ZWXUUSDYBOGBQV-JSGCOSHPSA-N 1 2 380.491 2.402 20 0 GEADLO O[C@H](COc1ccc2c(c1)OCO2)C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000473446261 532591053 /nfs/dbraw/zinc/59/10/53/532591053.db2.gz ZWXUUSDYBOGBQV-JSGCOSHPSA-N 1 2 380.491 2.402 20 0 GEADLO NC(=O)CC1C[NH+](Cc2cc(Br)cc(Br)c2N)C1 ZINC000297508744 532592386 /nfs/dbraw/zinc/59/23/86/532592386.db2.gz WZNMCVHHCHLBDQ-UHFFFAOYSA-N 1 2 377.080 2.101 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCCSc1ccc(Cl)cc1 ZINC000283983559 532570381 /nfs/dbraw/zinc/57/03/81/532570381.db2.gz GZZDWJQVYKJOCW-UHFFFAOYSA-N 1 2 380.901 2.294 20 0 GEADLO COC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000251857225 532572403 /nfs/dbraw/zinc/57/24/03/532572403.db2.gz NXPLCBGTTSJHJR-ZENOOKHLSA-N 1 2 385.302 2.362 20 0 GEADLO COC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000251857225 532572410 /nfs/dbraw/zinc/57/24/10/532572410.db2.gz NXPLCBGTTSJHJR-ZENOOKHLSA-N 1 2 385.302 2.362 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NCCNc2cccc[nH+]2)cc1Cl ZINC000472331302 532572513 /nfs/dbraw/zinc/57/25/13/532572513.db2.gz USKVEZSKCPEJAD-UHFFFAOYSA-N 1 2 386.836 2.223 20 0 GEADLO COC[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@@H](C)O1 ZINC000251535231 532572573 /nfs/dbraw/zinc/57/25/73/532572573.db2.gz DJUDELHAWYKGJL-HIFRSBDPSA-N 1 2 385.302 2.143 20 0 GEADLO COC[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@@H](C)O1 ZINC000251535231 532572576 /nfs/dbraw/zinc/57/25/76/532572576.db2.gz DJUDELHAWYKGJL-HIFRSBDPSA-N 1 2 385.302 2.143 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000433571184 532573248 /nfs/dbraw/zinc/57/32/48/532573248.db2.gz BXXOWTSQJUNVSE-ZFWWWQNUSA-N 1 2 381.464 2.178 20 0 GEADLO COC(=O)c1cnc([C@H]2CCC[N@H+](CC(=O)N(C)CC(F)(F)F)C2)s1 ZINC000595918022 532576549 /nfs/dbraw/zinc/57/65/49/532576549.db2.gz HYBHXUTYKMOSAI-JTQLQIEISA-N 1 2 379.404 2.130 20 0 GEADLO COC(=O)c1cnc([C@H]2CCC[N@@H+](CC(=O)N(C)CC(F)(F)F)C2)s1 ZINC000595918022 532576556 /nfs/dbraw/zinc/57/65/56/532576556.db2.gz HYBHXUTYKMOSAI-JTQLQIEISA-N 1 2 379.404 2.130 20 0 GEADLO COC(=O)c1cnc([C@H]2CCC[N@H+](CC(=O)N(C)c3nccs3)C2)s1 ZINC000595914965 532576722 /nfs/dbraw/zinc/57/67/22/532576722.db2.gz QCHGGZORZKDTBQ-NSHDSACASA-N 1 2 380.495 2.229 20 0 GEADLO COC(=O)c1cnc([C@H]2CCC[N@@H+](CC(=O)N(C)c3nccs3)C2)s1 ZINC000595914965 532576726 /nfs/dbraw/zinc/57/67/26/532576726.db2.gz QCHGGZORZKDTBQ-NSHDSACASA-N 1 2 380.495 2.229 20 0 GEADLO COC(=O)c1cnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000595914698 532576911 /nfs/dbraw/zinc/57/69/11/532576911.db2.gz OJPUYZLXGLDECC-UWVGGRQHSA-N 1 2 379.404 2.176 20 0 GEADLO COC(=O)c1cnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000595914698 532576915 /nfs/dbraw/zinc/57/69/15/532576915.db2.gz OJPUYZLXGLDECC-UWVGGRQHSA-N 1 2 379.404 2.176 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000284121608 532577064 /nfs/dbraw/zinc/57/70/64/532577064.db2.gz NQGCDOMVLONDMU-HNNXBMFYSA-N 1 2 384.929 2.313 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000284121608 532577066 /nfs/dbraw/zinc/57/70/66/532577066.db2.gz NQGCDOMVLONDMU-HNNXBMFYSA-N 1 2 384.929 2.313 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000375714854 532577231 /nfs/dbraw/zinc/57/72/31/532577231.db2.gz RWDFWXFVLKKXCW-UHFFFAOYSA-N 1 2 388.225 2.369 20 0 GEADLO O=C(NCc1cc(Br)cs1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000284147646 532578539 /nfs/dbraw/zinc/57/85/39/532578539.db2.gz YWMVZZZISUFGIN-UHFFFAOYSA-N 1 2 397.298 2.187 20 0 GEADLO CO[C@@](C)(CO)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000655213014 532580288 /nfs/dbraw/zinc/58/02/88/532580288.db2.gz IYWKGQQZIKAQAA-DOTOQJQBSA-N 1 2 385.302 2.100 20 0 GEADLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCCCC2CCOCC2)CC1 ZINC000375751354 532580580 /nfs/dbraw/zinc/58/05/80/532580580.db2.gz QZABLLBNPJNATB-UHFFFAOYSA-N 1 2 375.531 2.026 20 0 GEADLO [NH3+]CC1CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC1 ZINC000297316676 532581495 /nfs/dbraw/zinc/58/14/95/532581495.db2.gz WRAKQNYTFSSSJB-UHFFFAOYSA-N 1 2 379.507 2.360 20 0 GEADLO C[C@H](CS(C)(=O)=O)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435334000 532614074 /nfs/dbraw/zinc/61/40/74/532614074.db2.gz VMAGMAUQMIKLCO-CQSZACIVSA-N 1 2 383.901 2.246 20 0 GEADLO OCCOCC[N@H+](Cc1ncc(I)s1)C1CCC1 ZINC000597206607 532614337 /nfs/dbraw/zinc/61/43/37/532614337.db2.gz SOOJVKGWCKNVAS-UHFFFAOYSA-N 1 2 382.267 2.111 20 0 GEADLO OCCOCC[N@@H+](Cc1ncc(I)s1)C1CCC1 ZINC000597206607 532614349 /nfs/dbraw/zinc/61/43/49/532614349.db2.gz SOOJVKGWCKNVAS-UHFFFAOYSA-N 1 2 382.267 2.111 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2cc(Cl)ccc2F)C[C@H]1[NH+]1CCOCC1 ZINC000632501629 532615330 /nfs/dbraw/zinc/61/53/30/532615330.db2.gz DYUKQXMIWHQIKF-HUUCEWRRSA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2cc(Cl)ccc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000632501627 532615511 /nfs/dbraw/zinc/61/55/11/532615511.db2.gz DYUKQXMIWHQIKF-CABCVRRESA-N 1 2 376.881 2.257 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000632502558 532617233 /nfs/dbraw/zinc/61/72/33/532617233.db2.gz WUJAUFAPSWQTMR-JKSUJKDBSA-N 1 2 381.523 2.074 20 0 GEADLO COc1c(C)[nH+]c(C2CC2)nc1NCc1nn(C)cc1I ZINC000566572977 532617746 /nfs/dbraw/zinc/61/77/46/532617746.db2.gz ZKARBNCQSHINEB-UHFFFAOYSA-N 1 2 399.236 2.621 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000298020997 532618850 /nfs/dbraw/zinc/61/88/50/532618850.db2.gz BFMPNNQDLDNPQG-AWEZNQCLSA-N 1 2 381.274 2.393 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000298020997 532618857 /nfs/dbraw/zinc/61/88/57/532618857.db2.gz BFMPNNQDLDNPQG-AWEZNQCLSA-N 1 2 381.274 2.393 20 0 GEADLO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000262698016 532597593 /nfs/dbraw/zinc/59/75/93/532597593.db2.gz AENQEANLTBWOBU-WFASDCNBSA-N 1 2 379.507 2.277 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc1OC ZINC000284512275 532598509 /nfs/dbraw/zinc/59/85/09/532598509.db2.gz DBZZGVHFPMTDEA-OLZOCXBDSA-N 1 2 384.274 2.064 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc1OC ZINC000284512275 532598516 /nfs/dbraw/zinc/59/85/16/532598516.db2.gz DBZZGVHFPMTDEA-OLZOCXBDSA-N 1 2 384.274 2.064 20 0 GEADLO [NH3+][C@H](C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)c1cscn1 ZINC000566179643 532599191 /nfs/dbraw/zinc/59/91/91/532599191.db2.gz SODBXIDHCXNCIX-FZMZJTMJSA-N 1 2 381.299 2.301 20 0 GEADLO CC(C)(C)N1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)C1=O ZINC000566240576 532602406 /nfs/dbraw/zinc/60/24/06/532602406.db2.gz HGTUNRYLWIWKMS-QWHCGFSZSA-N 1 2 386.265 2.104 20 0 GEADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)cn1 ZINC000434906906 532605076 /nfs/dbraw/zinc/60/50/76/532605076.db2.gz PISAQGPSGCAUAA-UHFFFAOYSA-N 1 2 380.901 2.141 20 0 GEADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)cn1 ZINC000434906906 532605080 /nfs/dbraw/zinc/60/50/80/532605080.db2.gz PISAQGPSGCAUAA-UHFFFAOYSA-N 1 2 380.901 2.141 20 0 GEADLO Cn1ncc2c1nc(N)[nH+]c2N1CCc2cc(Br)cc(F)c2C1 ZINC000656153842 532605574 /nfs/dbraw/zinc/60/55/74/532605574.db2.gz CDHYVZHFCIWPOU-UHFFFAOYSA-N 1 2 377.221 2.410 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000376319948 532606745 /nfs/dbraw/zinc/60/67/45/532606745.db2.gz FQJJUAMDYAADNO-UHFFFAOYSA-N 1 2 377.794 2.253 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000376319948 532606753 /nfs/dbraw/zinc/60/67/53/532606753.db2.gz FQJJUAMDYAADNO-UHFFFAOYSA-N 1 2 377.794 2.253 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@@H](CO)CC1CCC1 ZINC000474139541 532608003 /nfs/dbraw/zinc/60/80/03/532608003.db2.gz QSQQNZOTQLGDNN-CYBMUJFWSA-N 1 2 381.274 2.447 20 0 GEADLO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1)Nc1ccccc1Br ZINC000566896541 532629911 /nfs/dbraw/zinc/62/99/11/532629911.db2.gz YTHMSHPCQPRWPF-XJKCOSOUSA-N 1 2 383.286 2.249 20 0 GEADLO O=C(C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1)Nc1ccccc1Br ZINC000566896541 532629918 /nfs/dbraw/zinc/62/99/18/532629918.db2.gz YTHMSHPCQPRWPF-XJKCOSOUSA-N 1 2 383.286 2.249 20 0 GEADLO O=S(=O)(c1c(Cl)cccc1Br)N1CC[NH2+]C[C@@H]1C(F)F ZINC000376796550 532630477 /nfs/dbraw/zinc/63/04/77/532630477.db2.gz NIJREWZUQBRXPX-SECBINFHSA-N 1 2 389.649 2.330 20 0 GEADLO COc1nn(C)cc1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000474990004 532634627 /nfs/dbraw/zinc/63/46/27/532634627.db2.gz XPERGNHBHHYPRP-UHFFFAOYSA-N 1 2 379.218 2.161 20 0 GEADLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cc(Br)ccn1)C(C)(C)CO ZINC000298195626 532634686 /nfs/dbraw/zinc/63/46/86/532634686.db2.gz XHUFEGADSYOVHO-LBPRGKRZSA-N 1 2 382.262 2.459 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)Cc1cc(F)ccc1Br ZINC000656875736 532636133 /nfs/dbraw/zinc/63/61/33/532636133.db2.gz BTADAXGPGSNTPC-JTQLQIEISA-N 1 2 376.251 2.293 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000531911721 532639863 /nfs/dbraw/zinc/63/98/63/532639863.db2.gz ZAWPPQCKYMWOHI-HOTGVXAUSA-N 1 2 388.917 2.270 20 0 GEADLO O=C(NC[C@H](O)C(F)F)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000475209054 532640880 /nfs/dbraw/zinc/64/08/80/532640880.db2.gz COGLCQWLWMAHDB-STQMWFEESA-N 1 2 377.229 2.328 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)C2(S(C)(=O)=O)CCC2)[C@@H]1c1cccc(Cl)c1 ZINC000377091257 532642587 /nfs/dbraw/zinc/64/25/87/532642587.db2.gz MASRUXXGJDJFEO-ZBFHGGJFSA-N 1 2 384.929 2.416 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)C2(S(C)(=O)=O)CCC2)[C@@H]1c1cccc(Cl)c1 ZINC000377091257 532642589 /nfs/dbraw/zinc/64/25/89/532642589.db2.gz MASRUXXGJDJFEO-ZBFHGGJFSA-N 1 2 384.929 2.416 20 0 GEADLO COc1ccc(S(=O)(=O)NCC(C)(C)n2cc[nH+]c2)cc1Br ZINC000632731712 532642812 /nfs/dbraw/zinc/64/28/12/532642812.db2.gz VUDXBRRTDNVFKC-UHFFFAOYSA-N 1 2 388.287 2.368 20 0 GEADLO O=S(=O)(CC12CCC(CC1)CC2)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000567175694 532643384 /nfs/dbraw/zinc/64/33/84/532643384.db2.gz IKYBOMCBDOOWCR-ABHNRTSZSA-N 1 2 388.599 2.084 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000298355805 532644982 /nfs/dbraw/zinc/64/49/82/532644982.db2.gz SZPGQWPPQRIMSA-WFASDCNBSA-N 1 2 381.274 2.409 20 0 GEADLO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc(Br)c2O)CC1 ZINC000532090213 532645355 /nfs/dbraw/zinc/64/53/55/532645355.db2.gz IYIVYAUIIPKQSJ-CYBMUJFWSA-N 1 2 384.318 2.158 20 0 GEADLO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cccc(Br)c2O)CC1 ZINC000532090213 532645361 /nfs/dbraw/zinc/64/53/61/532645361.db2.gz IYIVYAUIIPKQSJ-CYBMUJFWSA-N 1 2 384.318 2.158 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)o1)NCCCCNc1cccc[nH+]1 ZINC000264100350 532661390 /nfs/dbraw/zinc/66/13/90/532661390.db2.gz MSDFYSLYQPASQE-UHFFFAOYSA-N 1 2 395.257 2.175 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000264123939 532663124 /nfs/dbraw/zinc/66/31/24/532663124.db2.gz VVYADMAGIWFKMR-UHFFFAOYSA-N 1 2 397.400 2.114 20 0 GEADLO CNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000285252494 532663458 /nfs/dbraw/zinc/66/34/58/532663458.db2.gz OOPDOSFRSSYBDC-OAHLLOKOSA-N 1 2 377.897 2.363 20 0 GEADLO CNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000285252494 532663462 /nfs/dbraw/zinc/66/34/62/532663462.db2.gz OOPDOSFRSSYBDC-OAHLLOKOSA-N 1 2 377.897 2.363 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cn1C ZINC000264168219 532664317 /nfs/dbraw/zinc/66/43/17/532664317.db2.gz ZNKNJKIMOPWZOD-HNNXBMFYSA-N 1 2 379.873 2.183 20 0 GEADLO CCN(C)C(=O)CC[NH2+][C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000599593525 532668041 /nfs/dbraw/zinc/66/80/41/532668041.db2.gz FHUSHXORSWTMEZ-SFHVURJKSA-N 1 2 397.313 2.308 20 0 GEADLO NC(=O)[C@H]([NH2+]CC(=O)N1Cc2ccccc2C1)c1cccc(Br)c1 ZINC000481684206 532668012 /nfs/dbraw/zinc/66/80/12/532668012.db2.gz KNYRPDCMDPBDAX-QGZVFWFLSA-N 1 2 388.265 2.108 20 0 GEADLO C[C@@H](NC(=O)c1ccccc1I)[C@H](C)[NH+]1CCOCC1 ZINC000264285506 532668495 /nfs/dbraw/zinc/66/84/95/532668495.db2.gz PQAMLKVSCKTWHM-NEPJUHHUSA-N 1 2 388.249 2.130 20 0 GEADLO O=C(NCCc1ccc(I)cc1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000598394609 532647610 /nfs/dbraw/zinc/64/76/10/532647610.db2.gz YLPDRUQGQXAVRW-GFCCVEGCSA-N 1 2 395.244 2.478 20 0 GEADLO O=C(NCCc1ccc(I)cc1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000598394609 532647615 /nfs/dbraw/zinc/64/76/15/532647615.db2.gz YLPDRUQGQXAVRW-GFCCVEGCSA-N 1 2 395.244 2.478 20 0 GEADLO O=C(NCCc1ccc(Cl)s1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632873474 532648146 /nfs/dbraw/zinc/64/81/46/532648146.db2.gz NAIWAONWBQLDAK-UHFFFAOYSA-N 1 2 379.917 2.304 20 0 GEADLO CN(Cc1cc(Br)cn1C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000532338044 532649708 /nfs/dbraw/zinc/64/97/08/532649708.db2.gz PSGUFIMSJQZUAT-UHFFFAOYSA-N 1 2 375.230 2.036 20 0 GEADLO Cn1ncc(Br)c1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000632905038 532649972 /nfs/dbraw/zinc/64/99/72/532649972.db2.gz VJSUNEVGRMZNEZ-UHFFFAOYSA-N 1 2 393.289 2.046 20 0 GEADLO C[C@@H](Nc1[nH+]cnc2c1c(Br)nn2C)C(=O)NCc1ccccc1 ZINC000263959138 532651864 /nfs/dbraw/zinc/65/18/64/532651864.db2.gz NZZUTTARYPIZEI-SNVBAGLBSA-N 1 2 389.257 2.243 20 0 GEADLO O=S(=O)(CCc1ccccc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000656981647 532653390 /nfs/dbraw/zinc/65/33/90/532653390.db2.gz DIKYIUJVCFOSEK-MRXNPFEDSA-N 1 2 386.945 2.257 20 0 GEADLO CCCSc1nsc(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)n1 ZINC000532414578 532653436 /nfs/dbraw/zinc/65/34/36/532653436.db2.gz GLGYMGYOAGWKFB-UHFFFAOYSA-N 1 2 381.531 2.123 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000632994462 532653750 /nfs/dbraw/zinc/65/37/50/532653750.db2.gz AYUHLOOMECOORV-GFCCVEGCSA-N 1 2 378.826 2.404 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000632994462 532653758 /nfs/dbraw/zinc/65/37/58/532653758.db2.gz AYUHLOOMECOORV-GFCCVEGCSA-N 1 2 378.826 2.404 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@H](O)[C@H]3C)[nH+]c12 ZINC000298525015 532656873 /nfs/dbraw/zinc/65/68/73/532656873.db2.gz XGICBPZCVZXZHH-RISCZKNCSA-N 1 2 381.274 2.460 20 0 GEADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)Cc1cc(F)ccc1Cl)C(C)(C)CO ZINC000657001631 532657083 /nfs/dbraw/zinc/65/70/83/532657083.db2.gz UXKRILWDDLFODV-AWEZNQCLSA-N 1 2 389.880 2.392 20 0 GEADLO Cn1c(=O)[nH]cc1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000633011116 532657282 /nfs/dbraw/zinc/65/72/82/532657282.db2.gz OQUUIRFTIQDKTP-UHFFFAOYSA-N 1 2 394.229 2.020 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000264049989 532657509 /nfs/dbraw/zinc/65/75/09/532657509.db2.gz HPVZKFJMRGYZCQ-MRVPVSSYSA-N 1 2 380.214 2.291 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@@H]1CCCn2ncnc21 ZINC000437449451 532659368 /nfs/dbraw/zinc/65/93/68/532659368.db2.gz FZAUOPBIYCEFQW-GFCCVEGCSA-N 1 2 390.245 2.023 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000298555779 532659403 /nfs/dbraw/zinc/65/94/03/532659403.db2.gz LUBUCIMDWNAYER-UHFFFAOYSA-N 1 2 399.314 2.214 20 0 GEADLO COCCc1ncc(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)s1 ZINC000638181508 532684255 /nfs/dbraw/zinc/68/42/55/532684255.db2.gz KEHNABLWBWPNQK-UHFFFAOYSA-N 1 2 381.523 2.114 20 0 GEADLO COCCc1ncc(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)s1 ZINC000638181508 532684261 /nfs/dbraw/zinc/68/42/61/532684261.db2.gz KEHNABLWBWPNQK-UHFFFAOYSA-N 1 2 381.523 2.114 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000285504721 532686442 /nfs/dbraw/zinc/68/64/42/532686442.db2.gz QIYIUCFZBIZTMI-UHFFFAOYSA-N 1 2 382.917 2.287 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000264304343 532670770 /nfs/dbraw/zinc/67/07/70/532670770.db2.gz ZOXNWBIMOIJJEC-WFASDCNBSA-N 1 2 378.885 2.257 20 0 GEADLO Cn1cc[nH+]c1CN1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000482513075 532671498 /nfs/dbraw/zinc/67/14/98/532671498.db2.gz ZYOQGISOOSOQKT-UHFFFAOYSA-N 1 2 391.313 2.460 20 0 GEADLO CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000285503316 532686673 /nfs/dbraw/zinc/68/66/73/532686673.db2.gz FKKBHCUFUULFFS-BBRMVZONSA-N 1 2 385.555 2.091 20 0 GEADLO CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000285503316 532686679 /nfs/dbraw/zinc/68/66/79/532686679.db2.gz FKKBHCUFUULFFS-BBRMVZONSA-N 1 2 385.555 2.091 20 0 GEADLO C[C@H](c1cccc(Br)c1)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000483205508 532673554 /nfs/dbraw/zinc/67/35/54/532673554.db2.gz ZJMQGTZGSKXGJO-CYBMUJFWSA-N 1 2 377.286 2.426 20 0 GEADLO NS(=O)(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000534876715 532673927 /nfs/dbraw/zinc/67/39/27/532673927.db2.gz UBEHBTIXACAWOS-UHFFFAOYSA-N 1 2 399.822 2.050 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000377926730 532674099 /nfs/dbraw/zinc/67/40/99/532674099.db2.gz XZUPLKLFECEWII-IAQYHMDHSA-N 1 2 386.279 2.254 20 0 GEADLO CN(C)[C@H](C(=O)NCc1nc2ccc(Br)cc2o1)c1c[nH+]cn1C ZINC000568779612 532686672 /nfs/dbraw/zinc/68/66/72/532686672.db2.gz OFNQBLZKCDISHK-HNNXBMFYSA-N 1 2 392.257 2.243 20 0 GEADLO Cn1c(=O)cc(C[N@H+](Cc2cc(Br)ccc2F)C2CC2)n(C)c1=O ZINC000298800628 532676034 /nfs/dbraw/zinc/67/60/34/532676034.db2.gz ITXVQVVCRLCLAI-UHFFFAOYSA-N 1 2 396.260 2.150 20 0 GEADLO Cn1c(=O)cc(C[N@@H+](Cc2cc(Br)ccc2F)C2CC2)n(C)c1=O ZINC000298800628 532676039 /nfs/dbraw/zinc/67/60/39/532676039.db2.gz ITXVQVVCRLCLAI-UHFFFAOYSA-N 1 2 396.260 2.150 20 0 GEADLO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000438891982 532678999 /nfs/dbraw/zinc/67/89/99/532678999.db2.gz BHRQALDYOGOHMW-JTQLQIEISA-N 1 2 377.666 2.259 20 0 GEADLO COCC[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000438891982 532679007 /nfs/dbraw/zinc/67/90/07/532679007.db2.gz BHRQALDYOGOHMW-JTQLQIEISA-N 1 2 377.666 2.259 20 0 GEADLO CCc1n[nH]c(C(=O)NCC2CC[NH+](CC(F)F)CC2)c1Br ZINC000568530998 532679476 /nfs/dbraw/zinc/67/94/76/532679476.db2.gz URWVBQMKOOGVOS-UHFFFAOYSA-N 1 2 379.249 2.442 20 0 GEADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000568519703 532680064 /nfs/dbraw/zinc/68/00/64/532680064.db2.gz NUJIFHPELRDPJG-UHFFFAOYSA-N 1 2 394.686 2.376 20 0 GEADLO CC[C@@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@H](CC)CN1C(C)=O ZINC000638123015 532681304 /nfs/dbraw/zinc/68/13/04/532681304.db2.gz RMOQRTYQXVWBQD-HUUCEWRRSA-N 1 2 387.933 2.209 20 0 GEADLO CC[C@@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@H](CC)CN1C(C)=O ZINC000638123015 532681308 /nfs/dbraw/zinc/68/13/08/532681308.db2.gz RMOQRTYQXVWBQD-HUUCEWRRSA-N 1 2 387.933 2.209 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000638131220 532682339 /nfs/dbraw/zinc/68/23/39/532682339.db2.gz CAWDHMXXNHQQNL-HNNXBMFYSA-N 1 2 388.917 2.224 20 0 GEADLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2ccncc2Br)CC1 ZINC000439424016 532692571 /nfs/dbraw/zinc/69/25/71/532692571.db2.gz QMVQGOHEOJZBLP-UHFFFAOYSA-N 1 2 376.258 2.324 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285576836 532693053 /nfs/dbraw/zinc/69/30/53/532693053.db2.gz KPUMNYFNINIGEV-KGLIPLIRSA-N 1 2 387.933 2.270 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285576836 532693058 /nfs/dbraw/zinc/69/30/58/532693058.db2.gz KPUMNYFNINIGEV-KGLIPLIRSA-N 1 2 387.933 2.270 20 0 GEADLO COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000285578392 532693128 /nfs/dbraw/zinc/69/31/28/532693128.db2.gz ODIUIPTVVZDERX-OAHLLOKOSA-N 1 2 381.416 2.248 20 0 GEADLO COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000285578392 532693132 /nfs/dbraw/zinc/69/31/32/532693132.db2.gz ODIUIPTVVZDERX-OAHLLOKOSA-N 1 2 381.416 2.248 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000536574012 532693789 /nfs/dbraw/zinc/69/37/89/532693789.db2.gz PKSWKGFBBKPHTQ-YTEVENLXSA-N 1 2 399.365 2.115 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000536574012 532693798 /nfs/dbraw/zinc/69/37/98/532693798.db2.gz PKSWKGFBBKPHTQ-YTEVENLXSA-N 1 2 399.365 2.115 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000285687682 532697527 /nfs/dbraw/zinc/69/75/27/532697527.db2.gz OFGSFZKMXVNTFC-SECBINFHSA-N 1 2 399.314 2.107 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CC2(C1)CCOCC2 ZINC000488017776 532699630 /nfs/dbraw/zinc/69/96/30/532699630.db2.gz OCOYDDWKCVXRLU-UHFFFAOYSA-N 1 2 379.258 2.419 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000266035277 532700905 /nfs/dbraw/zinc/70/09/05/532700905.db2.gz FJXRMDJHHGLSRK-SJORKVTESA-N 1 2 384.307 2.377 20 0 GEADLO NC(=O)c1ccc(N2CC[NH+](Cc3sccc3Br)CC2)nc1 ZINC000299226416 532702655 /nfs/dbraw/zinc/70/26/55/532702655.db2.gz NYQPYMACXCMQHO-UHFFFAOYSA-N 1 2 381.299 2.327 20 0 GEADLO Cc1cc(NC(=O)NCCNC(=O)c2ccc(Br)cc2)c(C)c[nH+]1 ZINC000535773721 532687150 /nfs/dbraw/zinc/68/71/50/532687150.db2.gz RRKOKSBPKXOTFG-UHFFFAOYSA-N 1 2 391.269 2.434 20 0 GEADLO Cc1cc(NC(=O)NC[C@H](O)COc2ccccc2Br)c(C)c[nH+]1 ZINC000535772895 532687175 /nfs/dbraw/zinc/68/71/75/532687175.db2.gz XQBIBVZBTNVZPM-ZDUSSCGKSA-N 1 2 394.269 2.444 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1ccc(F)cc1Br ZINC000663783349 532687975 /nfs/dbraw/zinc/68/79/75/532687975.db2.gz IKUUDRIFIRZDLG-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1ccc(F)cc1Br ZINC000663783349 532687979 /nfs/dbraw/zinc/68/79/79/532687979.db2.gz IKUUDRIFIRZDLG-NEPJUHHUSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000298950731 532688004 /nfs/dbraw/zinc/68/80/04/532688004.db2.gz CTOOJHJJLUNQSE-SWLSCSKDSA-N 1 2 391.269 2.203 20 0 GEADLO O=C1N=NCN1C1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000568997748 532688239 /nfs/dbraw/zinc/68/82/39/532688239.db2.gz XUVJEHBEUNPPGL-UHFFFAOYSA-N 1 2 381.230 2.312 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000378265186 532688308 /nfs/dbraw/zinc/68/83/08/532688308.db2.gz FKTLJVFLBRHOLU-NSHDSACASA-N 1 2 383.857 2.038 20 0 GEADLO C[C@@H](C[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)c1ccccc1 ZINC000439286359 532688725 /nfs/dbraw/zinc/68/87/25/532688725.db2.gz MKJLEHIPINEBIO-ZDUSSCGKSA-N 1 2 379.448 2.241 20 0 GEADLO Cc1nccc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1Br ZINC000666836880 532704009 /nfs/dbraw/zinc/70/40/09/532704009.db2.gz DZLJZCGPTKVBBV-UHFFFAOYSA-N 1 2 397.317 2.151 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccc(Br)c3ncccc23)C1 ZINC000667868039 532709250 /nfs/dbraw/zinc/70/92/50/532709250.db2.gz PSSLHIHWCSUWPV-LBPRGKRZSA-N 1 2 392.301 2.365 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccc(Br)c3ncccc23)C1 ZINC000667868039 532709254 /nfs/dbraw/zinc/70/92/54/532709254.db2.gz PSSLHIHWCSUWPV-LBPRGKRZSA-N 1 2 392.301 2.365 20 0 GEADLO C[C@@H](Sc1nncn1C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000492180649 532712031 /nfs/dbraw/zinc/71/20/31/532712031.db2.gz IMQSNLFYVGTOCG-SECBINFHSA-N 1 2 395.286 2.022 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000285830230 532712398 /nfs/dbraw/zinc/71/23/98/532712398.db2.gz HESBDZDZXBIGIM-NEPJUHHUSA-N 1 2 397.273 2.387 20 0 GEADLO CCOC(=O)CCCNC(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494294161 532716092 /nfs/dbraw/zinc/71/60/92/532716092.db2.gz WXUBYSFTMUEQCK-UHFFFAOYSA-N 1 2 389.265 2.480 20 0 GEADLO CCOC(=O)CCCNC(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494294161 532716094 /nfs/dbraw/zinc/71/60/94/532716094.db2.gz WXUBYSFTMUEQCK-UHFFFAOYSA-N 1 2 389.265 2.480 20 0 GEADLO COc1cccc([C@H]2[C@H](NS(=O)(=O)c3cscn3)CC[N@@H+]2C2CC2)c1 ZINC000575056906 532716856 /nfs/dbraw/zinc/71/68/56/532716856.db2.gz ZKJOOGNAYVFFNO-WBVHZDCISA-N 1 2 379.507 2.408 20 0 GEADLO COc1cccc([C@H]2[C@H](NS(=O)(=O)c3cscn3)CC[N@H+]2C2CC2)c1 ZINC000575056906 532716859 /nfs/dbraw/zinc/71/68/59/532716859.db2.gz ZKJOOGNAYVFFNO-WBVHZDCISA-N 1 2 379.507 2.408 20 0 GEADLO O=C(NCc1ccccc1Cl)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000670485498 532716990 /nfs/dbraw/zinc/71/69/90/532716990.db2.gz PNAHRLBDRVGYFX-UHFFFAOYSA-N 1 2 377.897 2.362 20 0 GEADLO COc1cc[nH+]cc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000299492351 532721544 /nfs/dbraw/zinc/72/15/44/532721544.db2.gz NVXKGKDEMLZWDZ-UHFFFAOYSA-N 1 2 381.479 2.117 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2ccc(SC)cc2)C1 ZINC000646111121 532722016 /nfs/dbraw/zinc/72/20/16/532722016.db2.gz FBEVUNMZRCJKKR-OAHLLOKOSA-N 1 2 375.416 2.347 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2ccc(SC)cc2)C1 ZINC000646111121 532722023 /nfs/dbraw/zinc/72/20/23/532722023.db2.gz FBEVUNMZRCJKKR-OAHLLOKOSA-N 1 2 375.416 2.347 20 0 GEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000538851949 532722044 /nfs/dbraw/zinc/72/20/44/532722044.db2.gz KDEOCTDVSPRKRJ-RKDXNWHRSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000538851949 532722052 /nfs/dbraw/zinc/72/20/52/532722052.db2.gz KDEOCTDVSPRKRJ-RKDXNWHRSA-N 1 2 383.258 2.440 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000646112541 532723025 /nfs/dbraw/zinc/72/30/25/532723025.db2.gz RGTQEDMMHFQAEO-XHDPSFHLSA-N 1 2 378.416 2.152 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000646112541 532723033 /nfs/dbraw/zinc/72/30/33/532723033.db2.gz RGTQEDMMHFQAEO-XHDPSFHLSA-N 1 2 378.416 2.152 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000409504018 532723187 /nfs/dbraw/zinc/72/31/87/532723187.db2.gz SULMMZHCDYXYGH-NEPJUHHUSA-N 1 2 391.331 2.312 20 0 GEADLO COc1ccc(Br)c(CS(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000409504018 532723193 /nfs/dbraw/zinc/72/31/93/532723193.db2.gz SULMMZHCDYXYGH-NEPJUHHUSA-N 1 2 391.331 2.312 20 0 GEADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000299509927 532723502 /nfs/dbraw/zinc/72/35/02/532723502.db2.gz SYAJMVGEPDJEFJ-CYBMUJFWSA-N 1 2 381.479 2.252 20 0 GEADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2nc3ccccc3s2)C1 ZINC000576154894 532724427 /nfs/dbraw/zinc/72/44/27/532724427.db2.gz PXAREVDZRGDJQP-AWEZNQCLSA-N 1 2 381.523 2.028 20 0 GEADLO C[N@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2nc3ccccc3s2)C1 ZINC000576154894 532724439 /nfs/dbraw/zinc/72/44/39/532724439.db2.gz PXAREVDZRGDJQP-AWEZNQCLSA-N 1 2 381.523 2.028 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)CCc1cccc(Cl)c1)[NH+]1CCN(C)CC1 ZINC000286032183 532725616 /nfs/dbraw/zinc/72/56/16/532725616.db2.gz PXPHLEUWSPSRIQ-SFHVURJKSA-N 1 2 387.977 2.074 20 0 GEADLO NC(=O)CC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000266813785 532725734 /nfs/dbraw/zinc/72/57/34/532725734.db2.gz HSFSWYYZPIDXFU-HNNXBMFYSA-N 1 2 377.897 2.493 20 0 GEADLO NC(=O)CC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000266813785 532725738 /nfs/dbraw/zinc/72/57/38/532725738.db2.gz HSFSWYYZPIDXFU-HNNXBMFYSA-N 1 2 377.897 2.493 20 0 GEADLO CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)o1 ZINC000299551469 532726354 /nfs/dbraw/zinc/72/63/54/532726354.db2.gz DBDXBPLNECEFLE-AWEZNQCLSA-N 1 2 382.507 2.453 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)Nc1ccccc1Cl ZINC000576189481 532726822 /nfs/dbraw/zinc/72/68/22/532726822.db2.gz ICKSCXQTUHDLRV-ZDUSSCGKSA-N 1 2 385.917 2.072 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)Nc1ccccc1Cl ZINC000576189481 532726828 /nfs/dbraw/zinc/72/68/28/532726828.db2.gz ICKSCXQTUHDLRV-ZDUSSCGKSA-N 1 2 385.917 2.072 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000286079347 532727489 /nfs/dbraw/zinc/72/74/89/532727489.db2.gz AEXVONUYLNWIAL-WCQYABFASA-N 1 2 393.285 2.261 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)n1 ZINC000613176279 532727612 /nfs/dbraw/zinc/72/76/12/532727612.db2.gz MZIPHLPVESIZFV-VHSXEESVSA-N 1 2 379.404 2.460 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)n1 ZINC000613176279 532727619 /nfs/dbraw/zinc/72/76/19/532727619.db2.gz MZIPHLPVESIZFV-VHSXEESVSA-N 1 2 379.404 2.460 20 0 GEADLO CC[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000266845925 532727669 /nfs/dbraw/zinc/72/76/69/532727669.db2.gz PSRRNTXRFHDZHE-GHMZBOCLSA-N 1 2 379.452 2.158 20 0 GEADLO CC[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000266845925 532727677 /nfs/dbraw/zinc/72/76/77/532727677.db2.gz PSRRNTXRFHDZHE-GHMZBOCLSA-N 1 2 379.452 2.158 20 0 GEADLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(Br)nc3)c[nH+]2)CCO1 ZINC000266880487 532728857 /nfs/dbraw/zinc/72/88/57/532728857.db2.gz OCWHLCDVXJHZIZ-GFCCVEGCSA-N 1 2 391.269 2.394 20 0 GEADLO CC1(C)OCC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000576799262 532729595 /nfs/dbraw/zinc/72/95/95/532729595.db2.gz MFNFMXQHDCMUAB-CYBMUJFWSA-N 1 2 399.289 2.370 20 0 GEADLO Cc1cccc2cc(S(=O)(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)sc21 ZINC000645644315 532719054 /nfs/dbraw/zinc/71/90/54/532719054.db2.gz BCXSYVROXYZLNE-HOTGVXAUSA-N 1 2 380.535 2.429 20 0 GEADLO C[C@H](Nc1[nH+]cnc2c1c(Br)nn2C)C(=O)N1CCCC[C@H]1C ZINC000301142278 532742399 /nfs/dbraw/zinc/74/23/99/532742399.db2.gz CLPHYKMPBHFTJV-ZJUUUORDSA-N 1 2 381.278 2.327 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000614606741 532743760 /nfs/dbraw/zinc/74/37/60/532743760.db2.gz UOIKBKCUWUNBND-HUUCEWRRSA-N 1 2 388.555 2.021 20 0 GEADLO CCS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000614606741 532743767 /nfs/dbraw/zinc/74/37/67/532743767.db2.gz UOIKBKCUWUNBND-HUUCEWRRSA-N 1 2 388.555 2.021 20 0 GEADLO C[C@@H]([NH2+]Cc1ncc(I)s1)C(=O)NCc1ccco1 ZINC000286403422 532744444 /nfs/dbraw/zinc/74/44/44/532744444.db2.gz HORMZHGYDCPWFK-MRVPVSSYSA-N 1 2 391.234 2.135 20 0 GEADLO Cc1nnsc1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000579910592 532744812 /nfs/dbraw/zinc/74/48/12/532744812.db2.gz JYOPQJJVJWYXIY-HNNXBMFYSA-N 1 2 380.539 2.345 20 0 GEADLO Cc1nnsc1C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000579910592 532744814 /nfs/dbraw/zinc/74/48/14/532744814.db2.gz JYOPQJJVJWYXIY-HNNXBMFYSA-N 1 2 380.539 2.345 20 0 GEADLO Cc1nnsc1C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000579910593 532745083 /nfs/dbraw/zinc/74/50/83/532745083.db2.gz JYOPQJJVJWYXIY-OAHLLOKOSA-N 1 2 380.539 2.345 20 0 GEADLO Cc1nnsc1C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000579910593 532745088 /nfs/dbraw/zinc/74/50/88/532745088.db2.gz JYOPQJJVJWYXIY-OAHLLOKOSA-N 1 2 380.539 2.345 20 0 GEADLO C[C@H](CNc1cnn(C)c(=O)c1Br)[N@@H+]1CCc2sccc2C1 ZINC000301226563 532745283 /nfs/dbraw/zinc/74/52/83/532745283.db2.gz GJBYEKPISYHIKU-SNVBAGLBSA-N 1 2 383.315 2.463 20 0 GEADLO C[C@H](CNc1cnn(C)c(=O)c1Br)[N@H+]1CCc2sccc2C1 ZINC000301226563 532745286 /nfs/dbraw/zinc/74/52/86/532745286.db2.gz GJBYEKPISYHIKU-SNVBAGLBSA-N 1 2 383.315 2.463 20 0 GEADLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cncc(Br)c3)CC2)C1 ZINC000301212822 532745332 /nfs/dbraw/zinc/74/53/32/532745332.db2.gz WUVYRQAVNNMYCA-GASCZTMLSA-N 1 2 395.345 2.471 20 0 GEADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ncccc2S(N)(=O)=O)CC1 ZINC000301235144 532745706 /nfs/dbraw/zinc/74/57/06/532745706.db2.gz LGBFNYGEJBAIGR-CYBMUJFWSA-N 1 2 380.901 2.266 20 0 GEADLO O=C(CNc1cccc(Cl)c1)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615099350 532746202 /nfs/dbraw/zinc/74/62/02/532746202.db2.gz ZHXVKGXRTGSFOX-QGZVFWFLSA-N 1 2 383.945 2.418 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000267149081 532734807 /nfs/dbraw/zinc/73/48/07/532734807.db2.gz ZSQCGAFCXWAPAM-OAHLLOKOSA-N 1 2 391.269 2.402 20 0 GEADLO Nc1nc(NC[C@@H](CO)Cc2ccccc2Br)[nH+]c2ccccc12 ZINC000577131155 532734923 /nfs/dbraw/zinc/73/49/23/532734923.db2.gz FAQTZIZRLGECAK-LBPRGKRZSA-N 1 2 387.281 2.660 20 0 GEADLO O=C(Cc1ccc(Br)c(Cl)c1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614501484 532737343 /nfs/dbraw/zinc/73/73/43/532737343.db2.gz FMLQRKVQFOVLQN-ZDUSSCGKSA-N 1 2 386.721 2.151 20 0 GEADLO O=C(Cc1ccc(Br)c(Cl)c1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614501484 532737348 /nfs/dbraw/zinc/73/73/48/532737348.db2.gz FMLQRKVQFOVLQN-ZDUSSCGKSA-N 1 2 386.721 2.151 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2F)CC[N@@H+]1CCOC ZINC000501172312 532738036 /nfs/dbraw/zinc/73/80/36/532738036.db2.gz FJGRICWUAHJAPD-CQSZACIVSA-N 1 2 376.469 2.395 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2F)CC[N@H+]1CCOC ZINC000501172312 532738041 /nfs/dbraw/zinc/73/80/41/532738041.db2.gz FJGRICWUAHJAPD-CQSZACIVSA-N 1 2 376.469 2.395 20 0 GEADLO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c1 ZINC000501185469 532738379 /nfs/dbraw/zinc/73/83/79/532738379.db2.gz KXNXLCQVLWZXCN-UHFFFAOYSA-N 1 2 390.347 2.230 20 0 GEADLO CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c1 ZINC000501185469 532738382 /nfs/dbraw/zinc/73/83/82/532738382.db2.gz KXNXLCQVLWZXCN-UHFFFAOYSA-N 1 2 390.347 2.230 20 0 GEADLO O=S(=O)([C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1)N1CCOCC1 ZINC000501153192 532738497 /nfs/dbraw/zinc/73/84/97/532738497.db2.gz SUPMDEPCMDCTQY-AWEZNQCLSA-N 1 2 376.881 2.106 20 0 GEADLO O=S(=O)([C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1)N1CCOCC1 ZINC000501153192 532738501 /nfs/dbraw/zinc/73/85/01/532738501.db2.gz SUPMDEPCMDCTQY-AWEZNQCLSA-N 1 2 376.881 2.106 20 0 GEADLO CC(C)CCNC(=O)[C@H]1CSCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000410468249 532741286 /nfs/dbraw/zinc/74/12/86/532741286.db2.gz SVYHFYAOABPWKY-CQSZACIVSA-N 1 2 377.501 2.027 20 0 GEADLO Cn1cnc2c1ncnc2N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000675800262 532741400 /nfs/dbraw/zinc/74/14/00/532741400.db2.gz JPMATRUUINZIDZ-UHFFFAOYSA-N 1 2 387.285 2.448 20 0 GEADLO COCCn1cc(C[N@H+](C)CC(=O)Nc2ccccc2Br)cn1 ZINC000506772028 532754058 /nfs/dbraw/zinc/75/40/58/532754058.db2.gz MRUKMZKHQYHXOO-UHFFFAOYSA-N 1 2 381.274 2.363 20 0 GEADLO COCCn1cc(C[N@@H+](C)CC(=O)Nc2ccccc2Br)cn1 ZINC000506772028 532754064 /nfs/dbraw/zinc/75/40/64/532754064.db2.gz MRUKMZKHQYHXOO-UHFFFAOYSA-N 1 2 381.274 2.363 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(SC)c2)CC1 ZINC000411295488 532754621 /nfs/dbraw/zinc/75/46/21/532754621.db2.gz QFOTZKLREZRCGU-UHFFFAOYSA-N 1 2 385.917 2.181 20 0 GEADLO O=S(=O)(c1ccc(-c2csc([C@@H]3COCC[NH2+]3)n2)cc1)N1CCCC1 ZINC000446147508 532754953 /nfs/dbraw/zinc/75/49/53/532754953.db2.gz PNXVNHMPLHQLHT-HNNXBMFYSA-N 1 2 379.507 2.256 20 0 GEADLO C[C@@H]1c2cccc(Br)c2CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000506845139 532755545 /nfs/dbraw/zinc/75/55/45/532755545.db2.gz BITYRZUSAQYZIP-CYBMUJFWSA-N 1 2 382.302 2.410 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)NCCc2cccs2)C1 ZINC000286576991 532756490 /nfs/dbraw/zinc/75/64/90/532756490.db2.gz PZOOVXTWBIFMSB-ABAIWWIYSA-N 1 2 378.416 2.223 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)NCCc2cccs2)C1 ZINC000286576991 532756494 /nfs/dbraw/zinc/75/64/94/532756494.db2.gz PZOOVXTWBIFMSB-ABAIWWIYSA-N 1 2 378.416 2.223 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(S(=O)(=O)C(C)(C)C)nc3)CC2)S1 ZINC000301647090 532756652 /nfs/dbraw/zinc/75/66/52/532756652.db2.gz PZOXRMZLPCNPGG-ZDUSSCGKSA-N 1 2 382.555 2.267 20 0 GEADLO NS(=O)(=O)c1ccc(N2CC[NH+](Cc3cccc(O)c3Cl)CC2)cc1 ZINC000507141146 532757043 /nfs/dbraw/zinc/75/70/43/532757043.db2.gz GSPUZEYZPMUXSJ-UHFFFAOYSA-N 1 2 381.885 2.015 20 0 GEADLO O=C(C[NH+]1CCN(c2ccc3cccc(Br)c3n2)CC1)NC1CC1 ZINC000301677892 532757440 /nfs/dbraw/zinc/75/74/40/532757440.db2.gz IGIPWWIGEATJDS-UHFFFAOYSA-N 1 2 389.297 2.398 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(SC)c2)CCO1 ZINC000411480787 532763339 /nfs/dbraw/zinc/76/33/39/532763339.db2.gz WPTPZFDWXUHEHC-CYBMUJFWSA-N 1 2 385.917 2.227 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(SC)c2)CCO1 ZINC000411480787 532763344 /nfs/dbraw/zinc/76/33/44/532763344.db2.gz WPTPZFDWXUHEHC-CYBMUJFWSA-N 1 2 385.917 2.227 20 0 GEADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1nnnn1-c1ccccc1Br ZINC000286685702 532762146 /nfs/dbraw/zinc/76/21/46/532762146.db2.gz VSNCDYYKJJXTOY-NDQFFAJQSA-N 1 2 390.285 2.280 20 0 GEADLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1nnnn1-c1ccccc1Br ZINC000286685702 532762152 /nfs/dbraw/zinc/76/21/52/532762152.db2.gz VSNCDYYKJJXTOY-NDQFFAJQSA-N 1 2 390.285 2.280 20 0 GEADLO CS[C@H](C)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000580486649 532748397 /nfs/dbraw/zinc/74/83/97/532748397.db2.gz NJLFLCKILKZMLR-CQSZACIVSA-N 1 2 383.945 2.242 20 0 GEADLO CS[C@H](C)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000580486649 532748399 /nfs/dbraw/zinc/74/83/99/532748399.db2.gz NJLFLCKILKZMLR-CQSZACIVSA-N 1 2 383.945 2.242 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000411154830 532749353 /nfs/dbraw/zinc/74/93/53/532749353.db2.gz LGEBHGSEXDZACR-CYBMUJFWSA-N 1 2 377.794 2.224 20 0 GEADLO CO[C@@H](C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CCC1 ZINC000616143799 532750621 /nfs/dbraw/zinc/75/06/21/532750621.db2.gz DCOPRWBRSPBVDK-OAHLLOKOSA-N 1 2 384.274 2.434 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000444696461 532750752 /nfs/dbraw/zinc/75/07/52/532750752.db2.gz IHICPFIBEHHTDL-MJBXVCDLSA-N 1 2 384.464 2.075 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CC[C@H](CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000444696461 532750756 /nfs/dbraw/zinc/75/07/56/532750756.db2.gz IHICPFIBEHHTDL-MJBXVCDLSA-N 1 2 384.464 2.075 20 0 GEADLO CO[C@H]1CC[C@H](C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000616146836 532750883 /nfs/dbraw/zinc/75/08/83/532750883.db2.gz OOJPVJMEZOREAU-RYUDHWBXSA-N 1 2 384.274 2.434 20 0 GEADLO COC(=O)C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)CCO1 ZINC000267843369 532751128 /nfs/dbraw/zinc/75/11/28/532751128.db2.gz VBDDELFOCADJCD-LBPRGKRZSA-N 1 2 385.258 2.042 20 0 GEADLO COC(=O)C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)CCO1 ZINC000267843369 532751134 /nfs/dbraw/zinc/75/11/34/532751134.db2.gz VBDDELFOCADJCD-LBPRGKRZSA-N 1 2 385.258 2.042 20 0 GEADLO CC1(C)OC[C@@H]2C[C@@]21C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000616148852 532751285 /nfs/dbraw/zinc/75/12/85/532751285.db2.gz WHFMULOSQCNYIP-GTNSWQLSSA-N 1 2 396.285 2.434 20 0 GEADLO CN(C)c1cc(NC(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)[nH+]cc1Br ZINC000580995541 532751755 /nfs/dbraw/zinc/75/17/55/532751755.db2.gz RVLOKZCRIZAOFI-NWDGAFQWSA-N 1 2 396.289 2.185 20 0 GEADLO C[S@@](=O)c1ccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000506311948 532752690 /nfs/dbraw/zinc/75/26/90/532752690.db2.gz YYLXTVMZDPVIQD-XMMPIXPASA-N 1 2 398.575 2.428 20 0 GEADLO CCc1ncc(C[N@@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)s1 ZINC000506259328 532753020 /nfs/dbraw/zinc/75/30/20/532753020.db2.gz PNSKDEKBHIOCIB-UHFFFAOYSA-N 1 2 384.527 2.207 20 0 GEADLO CCc1ncc(C[N@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)s1 ZINC000506259328 532753023 /nfs/dbraw/zinc/75/30/23/532753023.db2.gz PNSKDEKBHIOCIB-UHFFFAOYSA-N 1 2 384.527 2.207 20 0 GEADLO CN(C)S(=O)(=O)c1cc(NCc2[nH+]ccn2CC(F)(F)F)ccc1F ZINC000506266827 532753184 /nfs/dbraw/zinc/75/31/84/532753184.db2.gz AQZYPBWRLMOKAY-UHFFFAOYSA-N 1 2 380.367 2.447 20 0 GEADLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000541498300 532753620 /nfs/dbraw/zinc/75/36/20/532753620.db2.gz YMUFFPHLVLZSMI-MRXNPFEDSA-N 1 2 380.286 2.310 20 0 GEADLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000541498300 532753621 /nfs/dbraw/zinc/75/36/21/532753621.db2.gz YMUFFPHLVLZSMI-MRXNPFEDSA-N 1 2 380.286 2.310 20 0 GEADLO Cn1ncc2c1nc(N[C@H]1CCN(c3ccccc3Br)C1)[nH+]c2N ZINC000302901453 532775194 /nfs/dbraw/zinc/77/51/94/532775194.db2.gz TVFPFQPTHZUUGD-JTQLQIEISA-N 1 2 388.273 2.399 20 0 GEADLO NC(=O)c1cc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)on1 ZINC000542691317 532776467 /nfs/dbraw/zinc/77/64/67/532776467.db2.gz RYTVUXUELLFHKS-UHFFFAOYSA-N 1 2 376.157 2.427 20 0 GEADLO CC1(C)C[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H]1c1cccs1 ZINC000286708530 532763804 /nfs/dbraw/zinc/76/38/04/532763804.db2.gz FKPVZFQIZQUDFM-INIZCTEOSA-N 1 2 379.507 2.417 20 0 GEADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H]1c1cccs1 ZINC000286708530 532763809 /nfs/dbraw/zinc/76/38/09/532763809.db2.gz FKPVZFQIZQUDFM-INIZCTEOSA-N 1 2 379.507 2.417 20 0 GEADLO C[C@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCN1S(C)(=O)=O ZINC000302004823 532764054 /nfs/dbraw/zinc/76/40/54/532764054.db2.gz KOQRRCLJUMQHIP-NSHDSACASA-N 1 2 384.299 2.467 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2ccc(Br)cc2)C1=O ZINC000542156846 532765103 /nfs/dbraw/zinc/76/51/03/532765103.db2.gz NAIUGIGJDPPLGL-AWEZNQCLSA-N 1 2 391.269 2.104 20 0 GEADLO Cc1ccc(CNc2cnn(C)c(=O)c2Br)c(N2CCCC2)[nH+]1 ZINC000302045229 532765355 /nfs/dbraw/zinc/76/53/55/532765355.db2.gz KGGYOOBIWBXGDP-UHFFFAOYSA-N 1 2 378.274 2.459 20 0 GEADLO NC(=O)CCCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000542196858 532766753 /nfs/dbraw/zinc/76/67/53/532766753.db2.gz OSZVAYJJAFSJQB-INIZCTEOSA-N 1 2 382.302 2.358 20 0 GEADLO COCCC(=O)N(CC[NH+]1CCOCC1)Cc1sccc1Br ZINC000583756379 532766760 /nfs/dbraw/zinc/76/67/60/532766760.db2.gz APZFZCKISIJQAR-UHFFFAOYSA-N 1 2 391.331 2.208 20 0 GEADLO NC(=O)C(=O)Nc1cccc(NCc2c[nH+]c3ccc(Br)cn23)c1 ZINC000509410767 532768455 /nfs/dbraw/zinc/76/84/55/532768455.db2.gz OPNYEBPMUDZFDI-UHFFFAOYSA-N 1 2 388.225 2.133 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CCc2c(Br)cccc2[C@H]1C ZINC000509415205 532768710 /nfs/dbraw/zinc/76/87/10/532768710.db2.gz IQFKCIOMMOIWHC-GFCCVEGCSA-N 1 2 383.286 2.390 20 0 GEADLO CCOC(=O)CN(C)C(=O)C[N@H+]1CCc2c(Br)cccc2[C@H]1C ZINC000509415205 532768713 /nfs/dbraw/zinc/76/87/13/532768713.db2.gz IQFKCIOMMOIWHC-GFCCVEGCSA-N 1 2 383.286 2.390 20 0 GEADLO O=C(NCC(F)F)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1Cl ZINC000451795941 532769759 /nfs/dbraw/zinc/76/97/59/532769759.db2.gz KFUUPNNLYLZYLZ-JSGCOSHPSA-N 1 2 376.831 2.316 20 0 GEADLO CSc1cccc(S(=O)(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000509427075 532769764 /nfs/dbraw/zinc/76/97/64/532769764.db2.gz XKCSECOXVINQKR-UHFFFAOYSA-N 1 2 379.507 2.119 20 0 GEADLO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1Cl ZINC000451795941 532769766 /nfs/dbraw/zinc/76/97/66/532769766.db2.gz KFUUPNNLYLZYLZ-JSGCOSHPSA-N 1 2 376.831 2.316 20 0 GEADLO C[C@@](O)(CNc1nnc(Cc2ccc(Cl)cc2)s1)C[NH+]1CCOCC1 ZINC000302559877 532770881 /nfs/dbraw/zinc/77/08/81/532770881.db2.gz ZNBJYUYWASMJSR-QGZVFWFLSA-N 1 2 382.917 2.277 20 0 GEADLO C[C@@H]1CN(c2ccccc2S(=O)(=O)C(F)(F)F)CC[N@@H+]1CC(C)(C)O ZINC000302522007 532771716 /nfs/dbraw/zinc/77/17/16/532771716.db2.gz YDCVPYFRYGNZKD-GFCCVEGCSA-N 1 2 380.432 2.262 20 0 GEADLO C[C@@H]1CN(c2ccccc2S(=O)(=O)C(F)(F)F)CC[N@H+]1CC(C)(C)O ZINC000302522007 532771718 /nfs/dbraw/zinc/77/17/18/532771718.db2.gz YDCVPYFRYGNZKD-GFCCVEGCSA-N 1 2 380.432 2.262 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000510019236 532772287 /nfs/dbraw/zinc/77/22/87/532772287.db2.gz FPHDEHHDIOKGTA-NXEZZACHSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000510019236 532772293 /nfs/dbraw/zinc/77/22/93/532772293.db2.gz FPHDEHHDIOKGTA-NXEZZACHSA-N 1 2 395.308 2.493 20 0 GEADLO CS[C@H](CNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)(C)C ZINC000588970812 532772941 /nfs/dbraw/zinc/77/29/41/532772941.db2.gz WBMFZZCZCUSROT-OAHLLOKOSA-N 1 2 383.583 2.286 20 0 GEADLO O=C(CN1CC[NH+](Cc2ccno2)CC1)Nc1ccc(Br)cc1 ZINC000268972924 532773411 /nfs/dbraw/zinc/77/34/11/532773411.db2.gz HRKCSERNHFTEOX-UHFFFAOYSA-N 1 2 379.258 2.193 20 0 GEADLO C[C@@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)c1nc(N)nc(N(C)C)n1 ZINC000411776053 532774612 /nfs/dbraw/zinc/77/46/12/532774612.db2.gz YYCFISQMJBUJBQ-RNCFNFMXSA-N 1 2 392.305 2.479 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287075720 532782316 /nfs/dbraw/zinc/78/23/16/532782316.db2.gz LOQYBYOPNHDCRF-YPMHNXCESA-N 1 2 383.290 2.479 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000545190830 532783479 /nfs/dbraw/zinc/78/34/79/532783479.db2.gz RVSMITMKRBPRHF-HZPDHXFCSA-N 1 2 387.933 2.161 20 0 GEADLO C[C@@H]1[C@H](CO)CCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000412093784 532785056 /nfs/dbraw/zinc/78/50/56/532785056.db2.gz WPUVGLOCFPZIEL-OLZOCXBDSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H]1[C@H](CO)CCC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000412093784 532785061 /nfs/dbraw/zinc/78/50/61/532785061.db2.gz WPUVGLOCFPZIEL-OLZOCXBDSA-N 1 2 376.316 2.316 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(C)(C)C[NH+]1CCOCC1 ZINC000412093230 532785194 /nfs/dbraw/zinc/78/51/94/532785194.db2.gz NZPCCAWMOILKDF-UHFFFAOYSA-N 1 2 384.318 2.430 20 0 GEADLO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457103982 532786241 /nfs/dbraw/zinc/78/62/41/532786241.db2.gz CNJGADLTVLOABY-CHWSQXEVSA-N 1 2 387.343 2.455 20 0 GEADLO C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457103982 532786245 /nfs/dbraw/zinc/78/62/45/532786245.db2.gz CNJGADLTVLOABY-CHWSQXEVSA-N 1 2 387.343 2.455 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)c(C)c2)C1 ZINC000412355091 532789451 /nfs/dbraw/zinc/78/94/51/532789451.db2.gz APKIDIAXRXTTJH-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)c(C)c2)C1 ZINC000412355091 532789453 /nfs/dbraw/zinc/78/94/53/532789453.db2.gz APKIDIAXRXTTJH-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cnc1Br ZINC000287319896 532791067 /nfs/dbraw/zinc/79/10/67/532791067.db2.gz XIGPDMLQYXLIJJ-TZMCWYRMSA-N 1 2 383.290 2.479 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)NC1CCC(C(F)F)CC1 ZINC000457928256 532791516 /nfs/dbraw/zinc/79/15/16/532791516.db2.gz FWXCEARRARPEAO-KVULBXGLSA-N 1 2 377.501 2.317 20 0 GEADLO COCCO[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000548683807 532793010 /nfs/dbraw/zinc/79/30/10/532793010.db2.gz CFFMZMGUNKRJRO-RISCZKNCSA-N 1 2 387.263 2.363 20 0 GEADLO COCCO[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000548683807 532793014 /nfs/dbraw/zinc/79/30/14/532793014.db2.gz CFFMZMGUNKRJRO-RISCZKNCSA-N 1 2 387.263 2.363 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)NC(C)(C)c2ccccc2Br)C1 ZINC000270185489 532794970 /nfs/dbraw/zinc/79/49/70/532794970.db2.gz CBVCWLMJONKDMJ-CYBMUJFWSA-N 1 2 383.334 2.229 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC(C)(C)c2ccccc2Br)C1 ZINC000270185489 532794972 /nfs/dbraw/zinc/79/49/72/532794972.db2.gz CBVCWLMJONKDMJ-CYBMUJFWSA-N 1 2 383.334 2.229 20 0 GEADLO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000287046120 532781046 /nfs/dbraw/zinc/78/10/46/532781046.db2.gz IRTIIBHBGMTJGX-GJZGRUSLSA-N 1 2 385.555 2.009 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000269427147 532781692 /nfs/dbraw/zinc/78/16/92/532781692.db2.gz JLZTWXXPZZBARA-NSHDSACASA-N 1 2 375.698 2.470 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000269427147 532781695 /nfs/dbraw/zinc/78/16/95/532781695.db2.gz JLZTWXXPZZBARA-NSHDSACASA-N 1 2 375.698 2.470 20 0 GEADLO CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000411939165 532781827 /nfs/dbraw/zinc/78/18/27/532781827.db2.gz IYQMPDCAYUGJDN-SNVBAGLBSA-N 1 2 388.693 2.451 20 0 GEADLO CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000411939165 532781832 /nfs/dbraw/zinc/78/18/32/532781832.db2.gz IYQMPDCAYUGJDN-SNVBAGLBSA-N 1 2 388.693 2.451 20 0 GEADLO O=C(c1nccn2c(Br)cnc12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271279523 532806641 /nfs/dbraw/zinc/80/66/41/532806641.db2.gz NUBVYXWRZIINSH-UHFFFAOYSA-N 1 2 375.230 2.235 20 0 GEADLO C[C@@H]1[C@H](CO)CCCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000413150866 532807051 /nfs/dbraw/zinc/80/70/51/532807051.db2.gz FIOQMMCFTUPKRI-NEPJUHHUSA-N 1 2 381.274 2.399 20 0 GEADLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)N2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329481849 532807245 /nfs/dbraw/zinc/80/72/45/532807245.db2.gz VZTFVVUUZYWPIK-GDBMZVCRSA-N 1 2 377.432 2.169 20 0 GEADLO CC[N@H+]1CC[C@@H](NS(=O)(=O)N2CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329481849 532807247 /nfs/dbraw/zinc/80/72/47/532807247.db2.gz VZTFVVUUZYWPIK-GDBMZVCRSA-N 1 2 377.432 2.169 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000271529911 532808273 /nfs/dbraw/zinc/80/82/73/532808273.db2.gz IHODUBHSAXCJBO-JTQLQIEISA-N 1 2 396.232 2.400 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CCc2n[nH]cc2C1 ZINC000271529911 532808274 /nfs/dbraw/zinc/80/82/74/532808274.db2.gz IHODUBHSAXCJBO-JTQLQIEISA-N 1 2 396.232 2.400 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@]2(O)CCOC2)CC1 ZINC000413357181 532810926 /nfs/dbraw/zinc/81/09/26/532810926.db2.gz DBRAWNCLMGITEC-AEFFLSMTSA-N 1 2 397.313 2.196 20 0 GEADLO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000459681132 532797086 /nfs/dbraw/zinc/79/70/86/532797086.db2.gz DCSCJHXTUNKFMH-IINYFYTJSA-N 1 2 398.253 2.157 20 0 GEADLO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000459681132 532797091 /nfs/dbraw/zinc/79/70/91/532797091.db2.gz DCSCJHXTUNKFMH-IINYFYTJSA-N 1 2 398.253 2.157 20 0 GEADLO CO[C@]1(CNC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)CCOC1 ZINC000460996438 532798734 /nfs/dbraw/zinc/79/87/34/532798734.db2.gz MTDCSDXVZYMBOI-INIZCTEOSA-N 1 2 397.273 2.010 20 0 GEADLO CCn1cncc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328865518 532799723 /nfs/dbraw/zinc/79/97/23/532799723.db2.gz WLAGUHCLRYVHOJ-GOEBONIOSA-N 1 2 386.880 2.419 20 0 GEADLO CCn1cncc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328865518 532799725 /nfs/dbraw/zinc/79/97/25/532799725.db2.gz WLAGUHCLRYVHOJ-GOEBONIOSA-N 1 2 386.880 2.419 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000462249078 532801715 /nfs/dbraw/zinc/80/17/15/532801715.db2.gz VEYQIAAUDGNARC-GFCCVEGCSA-N 1 2 378.226 2.246 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000462249078 532801718 /nfs/dbraw/zinc/80/17/18/532801718.db2.gz VEYQIAAUDGNARC-GFCCVEGCSA-N 1 2 378.226 2.246 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1ccc(O)c(Br)c1 ZINC000413389473 532811209 /nfs/dbraw/zinc/81/12/09/532811209.db2.gz URQRBDNXUBUKCR-UHFFFAOYSA-N 1 2 386.290 2.065 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000329950216 532813388 /nfs/dbraw/zinc/81/33/88/532813388.db2.gz HSJNDYXBJGOQBJ-ZJUUUORDSA-N 1 2 385.287 2.075 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000329950216 532813389 /nfs/dbraw/zinc/81/33/89/532813389.db2.gz HSJNDYXBJGOQBJ-ZJUUUORDSA-N 1 2 385.287 2.075 20 0 GEADLO C[C@@H](NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@@H]1CCOC1 ZINC000556668497 532811461 /nfs/dbraw/zinc/81/14/61/532811461.db2.gz DDFIWLHOIOZNFX-VXGBXAGGSA-N 1 2 399.289 2.227 20 0 GEADLO O=C(Nc1nc2cc(Br)ccn2n1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000556665351 532811690 /nfs/dbraw/zinc/81/16/90/532811690.db2.gz NVIWTKYIQZJLQJ-UHFFFAOYSA-N 1 2 390.245 2.626 20 0 GEADLO O=C(Nc1nc2cc(Br)ccn2n1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000556665351 532811696 /nfs/dbraw/zinc/81/16/96/532811696.db2.gz NVIWTKYIQZJLQJ-UHFFFAOYSA-N 1 2 390.245 2.626 20 0 GEADLO CC[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H]1[NH+]1CCOCC1 ZINC000329806115 532812029 /nfs/dbraw/zinc/81/20/29/532812029.db2.gz LCZJDEQRECMQON-WCQYABFASA-N 1 2 397.317 2.232 20 0 GEADLO CC[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H]1[NH+]1CCOCC1 ZINC000329806114 532812129 /nfs/dbraw/zinc/81/21/29/532812129.db2.gz LCZJDEQRECMQON-DGCLKSJQSA-N 1 2 397.317 2.232 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)NCCC(C)(C)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000413727216 532814346 /nfs/dbraw/zinc/81/43/46/532814346.db2.gz NQCWJVXFEZMXRK-OAHLLOKOSA-N 1 2 389.949 2.455 20 0 GEADLO Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330092661 532814430 /nfs/dbraw/zinc/81/44/30/532814430.db2.gz YYFVBZUPIZFQBF-JTQLQIEISA-N 1 2 388.262 2.386 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1ccncc1Br ZINC000272706597 532817449 /nfs/dbraw/zinc/81/74/49/532817449.db2.gz WJQCMWWAVLXNFT-UHFFFAOYSA-N 1 2 392.257 2.397 20 0 GEADLO C[C@H]1CCN(C(=O)NCCn2cc(Br)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000288080927 532816602 /nfs/dbraw/zinc/81/66/02/532816602.db2.gz HDNAPILPWBQNAG-JSGCOSHPSA-N 1 2 381.278 2.135 20 0 GEADLO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CCCCS1(=O)=O ZINC000273252757 532821380 /nfs/dbraw/zinc/82/13/80/532821380.db2.gz DPTOWJCACOIFQO-KRWDZBQOSA-N 1 2 382.551 2.450 20 0 GEADLO CC[C@@H](O)CCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273410418 532823587 /nfs/dbraw/zinc/82/35/87/532823587.db2.gz CVDIYHVSJBAYCL-CQSZACIVSA-N 1 2 383.290 2.408 20 0 GEADLO CC(=O)[C@H](NC(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1)C(C)C ZINC000330675157 532824899 /nfs/dbraw/zinc/82/48/99/532824899.db2.gz HBTHNVQLMAADQD-MRXNPFEDSA-N 1 2 385.306 2.012 20 0 GEADLO CCN(CC)S(=O)(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273516268 532825595 /nfs/dbraw/zinc/82/55/95/532825595.db2.gz NDPCSCGZKWTURZ-UHFFFAOYSA-N 1 2 389.319 2.124 20 0 GEADLO CCn1cnnc1CNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273506271 532825829 /nfs/dbraw/zinc/82/58/29/532825829.db2.gz SXIRCJHTDPMZGT-UHFFFAOYSA-N 1 2 392.261 2.016 20 0 GEADLO CSCC[C@H](O)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273437651 532824184 /nfs/dbraw/zinc/82/41/84/532824184.db2.gz XOPVBOUWOVMRQR-ZDUSSCGKSA-N 1 2 386.315 2.178 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[NH2+]Cc1cc(C(N)=O)no1 ZINC000273422241 532824194 /nfs/dbraw/zinc/82/41/94/532824194.db2.gz QYWIRXAGDXNUIS-UHFFFAOYSA-N 1 2 398.257 2.241 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000330881235 532828982 /nfs/dbraw/zinc/82/89/82/532828982.db2.gz YZYSWLZDEWUPOW-RYUDHWBXSA-N 1 2 389.315 2.143 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000330881235 532828983 /nfs/dbraw/zinc/82/89/83/532828983.db2.gz YZYSWLZDEWUPOW-RYUDHWBXSA-N 1 2 389.315 2.143 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cc(F)ccc1Br)Cn1cc[nH+]c1 ZINC000414468234 532829543 /nfs/dbraw/zinc/82/95/43/532829543.db2.gz KCAJGZGFXLGAMA-SNVBAGLBSA-N 1 2 376.251 2.399 20 0 GEADLO O[C@H](C[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccccc1Br ZINC000273693990 532831727 /nfs/dbraw/zinc/83/17/27/532831727.db2.gz LXAHRGUPTWYYDN-OAHLLOKOSA-N 1 2 381.249 2.234 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000414565867 532832247 /nfs/dbraw/zinc/83/22/47/532832247.db2.gz ZIYTYQJWWNZDOU-GDBMZVCRSA-N 1 2 388.302 2.040 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000414565867 532832249 /nfs/dbraw/zinc/83/22/49/532832249.db2.gz ZIYTYQJWWNZDOU-GDBMZVCRSA-N 1 2 388.302 2.040 20 0 GEADLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000331221350 532836039 /nfs/dbraw/zinc/83/60/39/532836039.db2.gz KBDOVZIAGCNDDH-NSHDSACASA-N 1 2 385.288 2.210 20 0 GEADLO Cc1nc(N2CCN(C(=O)Nc3ccncc3Br)CC2)cc[nH+]1 ZINC000273827962 532835312 /nfs/dbraw/zinc/83/53/12/532835312.db2.gz KZCGPLKTGIFXIH-UHFFFAOYSA-N 1 2 377.246 2.297 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000288773782 532837440 /nfs/dbraw/zinc/83/74/40/532837440.db2.gz BFWDZUDHMGNPKF-GHMZBOCLSA-N 1 2 394.273 2.067 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000288773782 532837442 /nfs/dbraw/zinc/83/74/42/532837442.db2.gz BFWDZUDHMGNPKF-GHMZBOCLSA-N 1 2 394.273 2.067 20 0 GEADLO CS[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C[C@@H]1[NH+](C)C ZINC000331320687 532837795 /nfs/dbraw/zinc/83/77/95/532837795.db2.gz KPZFUEGJRMKEKT-CMPLNLGQSA-N 1 2 384.445 2.077 20 0 GEADLO COC(=O)N[C@H](C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)C(C)C ZINC000273952243 532838236 /nfs/dbraw/zinc/83/82/36/532838236.db2.gz LAFQWIAMTOZWHD-ZDUSSCGKSA-N 1 2 397.273 2.402 20 0 GEADLO Cc1nnc([C@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC000273989244 532838710 /nfs/dbraw/zinc/83/87/10/532838710.db2.gz OIALSPZLZFHKAH-AAEUAGOBSA-N 1 2 381.527 2.342 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](S(C)(=O)=O)C1)c1ccsc1 ZINC000274009057 532839122 /nfs/dbraw/zinc/83/91/22/532839122.db2.gz GKRKQNPRXBVAIG-HOTGVXAUSA-N 1 2 387.571 2.350 20 0 GEADLO CC(C)[C@@H]([NH3+])CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000415242482 532839846 /nfs/dbraw/zinc/83/98/46/532839846.db2.gz ILIPTZUCGNMQTF-ZDUSSCGKSA-N 1 2 383.499 2.049 20 0 GEADLO CCOc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc(Br)c1OC(F)F ZINC000359972425 212128390 /nfs/dbraw/zinc/12/83/90/212128390.db2.gz FPOWFRXLCMASFQ-MNOVXSKESA-N 1 2 396.228 2.377 20 0 GEADLO CCOc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc(Br)c1OC(F)F ZINC000359972425 212128391 /nfs/dbraw/zinc/12/83/91/212128391.db2.gz FPOWFRXLCMASFQ-MNOVXSKESA-N 1 2 396.228 2.377 20 0 GEADLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cccc4c3OCCO4)sc2C1 ZINC000359942676 212125995 /nfs/dbraw/zinc/12/59/95/212125995.db2.gz VDRPNCQUZICXLY-UHFFFAOYSA-N 1 2 381.479 2.093 20 0 GEADLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cccc4c3OCCO4)sc2C1 ZINC000359942676 212126000 /nfs/dbraw/zinc/12/60/00/212126000.db2.gz VDRPNCQUZICXLY-UHFFFAOYSA-N 1 2 381.479 2.093 20 0 GEADLO O=C(C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1)N[C@H](c1ccccc1)C1CC1 ZINC000359940805 212125818 /nfs/dbraw/zinc/12/58/18/212125818.db2.gz IRQGAOXLPWZNOU-OAQYLSRUSA-N 1 2 380.492 2.430 20 0 GEADLO O=C(C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1)N[C@H](c1ccccc1)C1CC1 ZINC000359940805 212125821 /nfs/dbraw/zinc/12/58/21/212125821.db2.gz IRQGAOXLPWZNOU-OAQYLSRUSA-N 1 2 380.492 2.430 20 0 GEADLO O=C(C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1)N[C@@H](c1ccccc1)C1CC1 ZINC000359940804 212125615 /nfs/dbraw/zinc/12/56/15/212125615.db2.gz IRQGAOXLPWZNOU-NRFANRHFSA-N 1 2 380.492 2.430 20 0 GEADLO O=C(C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1)N[C@@H](c1ccccc1)C1CC1 ZINC000359940804 212125618 /nfs/dbraw/zinc/12/56/18/212125618.db2.gz IRQGAOXLPWZNOU-NRFANRHFSA-N 1 2 380.492 2.430 20 0 GEADLO Cc1oc(C2CC[NH+](CC(=O)N[C@H](C)C(=O)N(C)C)CC2)nc1-c1ccccc1 ZINC000359866093 212120814 /nfs/dbraw/zinc/12/08/14/212120814.db2.gz FPUYPZHAUXYAHG-OAHLLOKOSA-N 1 2 398.507 2.422 20 0 GEADLO C[C@@H]1Cc2cc(C(=O)N3CCC[C@H]3c3[nH+]ccn3C)ccc2N1S(C)(=O)=O ZINC000359898898 212123661 /nfs/dbraw/zinc/12/36/61/212123661.db2.gz NFZHFZAHGSXNKH-DYVFJYSZSA-N 1 2 388.493 2.108 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CCOc2ccccc2F)CC1 ZINC000021842964 212112885 /nfs/dbraw/zinc/11/28/85/212112885.db2.gz AQTUGVGCRIIXQU-UHFFFAOYSA-N 1 2 397.472 2.206 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CCOc2ccccc2F)CC1 ZINC000021842964 212112887 /nfs/dbraw/zinc/11/28/87/212112887.db2.gz AQTUGVGCRIIXQU-UHFFFAOYSA-N 1 2 397.472 2.206 20 0 GEADLO CCCC[C@@H](NC(N)=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274117334 532841216 /nfs/dbraw/zinc/84/12/16/532841216.db2.gz AFXDIALPGVHTRB-CYBMUJFWSA-N 1 2 396.289 2.249 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@H](CO)C3)[nH+]c12 ZINC000274168975 532842826 /nfs/dbraw/zinc/84/28/26/532842826.db2.gz ICLONKLHOTVVOG-GFCCVEGCSA-N 1 2 381.274 2.319 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000331716293 532843429 /nfs/dbraw/zinc/84/34/29/532843429.db2.gz OJCMDOBKDDSUSQ-UHFFFAOYSA-N 1 2 395.301 2.246 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000331716293 532843433 /nfs/dbraw/zinc/84/34/33/532843433.db2.gz OJCMDOBKDDSUSQ-UHFFFAOYSA-N 1 2 395.301 2.246 20 0 GEADLO NC(=O)N[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC000274196244 532843760 /nfs/dbraw/zinc/84/37/60/532843760.db2.gz JPGLAYMDZNBRPP-SECBINFHSA-N 1 2 392.095 2.036 20 0 GEADLO NC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC000274196244 532843762 /nfs/dbraw/zinc/84/37/62/532843762.db2.gz JPGLAYMDZNBRPP-SECBINFHSA-N 1 2 392.095 2.036 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)Oc1cccc(OCC(F)(F)F)c1 ZINC000274216903 532844511 /nfs/dbraw/zinc/84/45/11/532844511.db2.gz MROXRRTXUWVFIV-UHFFFAOYSA-N 1 2 383.388 2.059 20 0 GEADLO Cc1cc(N2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C2=O)ccc1Br ZINC000274222806 532845078 /nfs/dbraw/zinc/84/50/78/532845078.db2.gz PAZOQZLVWNJAKS-OAHLLOKOSA-N 1 2 391.269 2.266 20 0 GEADLO COCCN(CCOC)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274249758 532846002 /nfs/dbraw/zinc/84/60/02/532846002.db2.gz SQBDZNOHRUNCEM-UHFFFAOYSA-N 1 2 399.289 2.210 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CCC[C@@H]3O)[nH+]c12 ZINC000274262377 532846640 /nfs/dbraw/zinc/84/66/40/532846640.db2.gz VPFHQNVYQNAEBR-RISCZKNCSA-N 1 2 381.274 2.365 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000289126264 532848037 /nfs/dbraw/zinc/84/80/37/532848037.db2.gz IZRQWQLEBUURQV-HNNXBMFYSA-N 1 2 388.555 2.021 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000289126264 532848040 /nfs/dbraw/zinc/84/80/40/532848040.db2.gz IZRQWQLEBUURQV-HNNXBMFYSA-N 1 2 388.555 2.021 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274412803 532850101 /nfs/dbraw/zinc/85/01/01/532850101.db2.gz FBKHARGPGOUVGL-SECBINFHSA-N 1 2 377.670 2.340 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274423612 532850214 /nfs/dbraw/zinc/85/02/14/532850214.db2.gz GVISVTAHVPMMIG-JTQLQIEISA-N 1 2 390.713 2.255 20 0 GEADLO CCN1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332304926 532851824 /nfs/dbraw/zinc/85/18/24/532851824.db2.gz LDUNFJPLNVRJKA-AWEZNQCLSA-N 1 2 384.889 2.139 20 0 GEADLO CCN1CCN(C(=O)c2ccc(Br)cc2O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332369719 532853190 /nfs/dbraw/zinc/85/31/90/532853190.db2.gz WMYRQCWDOPITBX-CYBMUJFWSA-N 1 2 379.258 2.397 20 0 GEADLO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3c(O)cc(Cl)cc3Cl)CC2)C1=O ZINC000332351573 532852859 /nfs/dbraw/zinc/85/28/59/532852859.db2.gz AZKOMYNBRNPSTE-CYBMUJFWSA-N 1 2 386.279 2.124 20 0 GEADLO Cn1ncc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)n1 ZINC000289416224 532854208 /nfs/dbraw/zinc/85/42/08/532854208.db2.gz VNTSSIDUNQOBOX-UHFFFAOYSA-N 1 2 378.274 2.428 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000332521467 532856624 /nfs/dbraw/zinc/85/66/24/532856624.db2.gz AGZKEVQMXTVUDK-WFASDCNBSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000332521467 532856625 /nfs/dbraw/zinc/85/66/25/532856625.db2.gz AGZKEVQMXTVUDK-WFASDCNBSA-N 1 2 386.901 2.374 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000289531438 532857801 /nfs/dbraw/zinc/85/78/01/532857801.db2.gz WCPCDCHDFJDEDI-UHFFFAOYSA-N 1 2 379.295 2.492 20 0 GEADLO O=C(N[C@H]1CC[S@@](=O)C1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000332943480 532862505 /nfs/dbraw/zinc/86/25/05/532862505.db2.gz NGTWANZXXFMTRN-OKXMYEFYSA-N 1 2 387.908 2.264 20 0 GEADLO O=C(N[C@H]1CC[S@@](=O)C1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000332943480 532862507 /nfs/dbraw/zinc/86/25/07/532862507.db2.gz NGTWANZXXFMTRN-OKXMYEFYSA-N 1 2 387.908 2.264 20 0 GEADLO COc1nc(N2CC[NH+](Cc3cncc(F)c3)CC2)ncc1Br ZINC000275097916 532864688 /nfs/dbraw/zinc/86/46/88/532864688.db2.gz BIOIYGRCSJVGES-UHFFFAOYSA-N 1 2 382.237 2.104 20 0 GEADLO CC[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H](C)S1(=O)=O ZINC000289940796 532868227 /nfs/dbraw/zinc/86/82/27/532868227.db2.gz XDMSXIVVQYFBJR-RISCZKNCSA-N 1 2 386.315 2.494 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000289991788 532869271 /nfs/dbraw/zinc/86/92/71/532869271.db2.gz YIRZQZDAOLOPPA-RHSMWYFYSA-N 1 2 396.329 2.491 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@@H]1CCCOCC1 ZINC000333505031 532869797 /nfs/dbraw/zinc/86/97/97/532869797.db2.gz KWWGFRNFFSGEDT-GFCCVEGCSA-N 1 2 384.274 2.436 20 0 GEADLO C[C@H]1OCCC[C@@H]1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333520825 532869942 /nfs/dbraw/zinc/86/99/42/532869942.db2.gz NWMFIYIXCMDQPF-NEPJUHHUSA-N 1 2 384.274 2.434 20 0 GEADLO O=S1(=O)CC[C@@]2(C1)CCCN(Cc1c[nH+]c3ccc(Br)cn13)C2 ZINC000333570610 532871145 /nfs/dbraw/zinc/87/11/45/532871145.db2.gz PQHYEAPVMRIJMM-INIZCTEOSA-N 1 2 398.326 2.498 20 0 GEADLO O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N[C@H]1CCSC1 ZINC000333709752 532872043 /nfs/dbraw/zinc/87/20/43/532872043.db2.gz SSQGDJVWBSJDEV-JTQLQIEISA-N 1 2 387.303 2.308 20 0 GEADLO CN(C)c1cc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)[nH+]cc1Br ZINC000333693955 532872049 /nfs/dbraw/zinc/87/20/49/532872049.db2.gz QTOAKJWIZATUJP-NWDGAFQWSA-N 1 2 396.289 2.185 20 0 GEADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000416384094 532874179 /nfs/dbraw/zinc/87/41/79/532874179.db2.gz NKKJGUCLVVPQSP-UHFFFAOYSA-N 1 2 383.857 2.349 20 0 GEADLO COc1cc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)ccc1Cl ZINC000416439898 532877737 /nfs/dbraw/zinc/87/77/37/532877737.db2.gz CIINSLJQUAZMLY-UHFFFAOYSA-N 1 2 390.933 2.328 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1CCc2c1cccc2Br ZINC000348461032 532879263 /nfs/dbraw/zinc/87/92/63/532879263.db2.gz YYZMVDCETOKGIB-UONOGXRCSA-N 1 2 375.226 2.323 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1CCc2c1cccc2Br ZINC000348461032 532879265 /nfs/dbraw/zinc/87/92/65/532879265.db2.gz YYZMVDCETOKGIB-UONOGXRCSA-N 1 2 375.226 2.323 20 0 GEADLO OCCO[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000290375571 532879475 /nfs/dbraw/zinc/87/94/75/532879475.db2.gz IBSMCPKINGGLIA-AWEZNQCLSA-N 1 2 381.274 2.003 20 0 GEADLO OCCO[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000290375571 532879479 /nfs/dbraw/zinc/87/94/79/532879479.db2.gz IBSMCPKINGGLIA-AWEZNQCLSA-N 1 2 381.274 2.003 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1Cc1ccc(Br)cc1Cl ZINC000348492413 532879531 /nfs/dbraw/zinc/87/95/31/532879531.db2.gz JTVRHYFQGWEGOF-LBPRGKRZSA-N 1 2 383.633 2.489 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1Cc1ccc(Br)cc1Cl ZINC000348492413 532879533 /nfs/dbraw/zinc/87/95/33/532879533.db2.gz JTVRHYFQGWEGOF-LBPRGKRZSA-N 1 2 383.633 2.489 20 0 GEADLO CC(=O)N(C)C1CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000290551799 532883926 /nfs/dbraw/zinc/88/39/26/532883926.db2.gz WUXBCPIMFXXGPR-UHFFFAOYSA-N 1 2 392.301 2.473 20 0 GEADLO CSc1nc2ccc(NC(=O)C(=O)N(C)Cc3[nH+]ccn3C)cc2s1 ZINC000275606159 532880181 /nfs/dbraw/zinc/88/01/81/532880181.db2.gz ISKGIDUHNHWVKJ-UHFFFAOYSA-N 1 2 375.479 2.349 20 0 GEADLO COCC1(O)CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000290424549 532880486 /nfs/dbraw/zinc/88/04/86/532880486.db2.gz MOQDRZRWQUEIDU-UHFFFAOYSA-N 1 2 381.274 2.003 20 0 GEADLO CC1(C)C[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](CO)O1 ZINC000420941598 532887381 /nfs/dbraw/zinc/88/73/81/532887381.db2.gz PHADNJJTCUBEMD-CABCVRRESA-N 1 2 383.286 2.026 20 0 GEADLO CC1(C)C[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](CO)O1 ZINC000420941598 532887383 /nfs/dbraw/zinc/88/73/83/532887383.db2.gz PHADNJJTCUBEMD-CABCVRRESA-N 1 2 383.286 2.026 20 0 GEADLO CSC1(C[NH+]2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)CCC1 ZINC000290574560 532884134 /nfs/dbraw/zinc/88/41/34/532884134.db2.gz YUYRINVADICEDF-UHFFFAOYSA-N 1 2 382.551 2.134 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Cl)ncc1Br ZINC000290809740 532890096 /nfs/dbraw/zinc/89/00/96/532890096.db2.gz GBTPISNBPRRLIQ-SNVBAGLBSA-N 1 2 376.682 2.290 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000290875003 532891536 /nfs/dbraw/zinc/89/15/36/532891536.db2.gz LMTIDUSQEIXFOR-CQSZACIVSA-N 1 2 399.314 2.077 20 0 GEADLO [NH3+][C@@H](C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)c1cscn1 ZINC000423075588 532893318 /nfs/dbraw/zinc/89/33/18/532893318.db2.gz OVUGDFABXYPIHA-AMIZOPFISA-N 1 2 376.265 2.006 20 0 GEADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccncc1I)CCC2 ZINC000361199697 532892776 /nfs/dbraw/zinc/89/27/76/532892776.db2.gz FXCYHWONHABQSH-NSHDSACASA-N 1 2 396.232 2.499 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000291059642 532895638 /nfs/dbraw/zinc/89/56/38/532895638.db2.gz BQXLOLDQXPKAEO-LLVKDONJSA-N 1 2 384.445 2.110 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)c1cc(I)ccc1O)CC2 ZINC000363674308 532900209 /nfs/dbraw/zinc/90/02/09/532900209.db2.gz MWVXWSARQAHECX-UHFFFAOYSA-N 1 2 383.189 2.158 20 0 GEADLO COCC[C@H]1COCC[N@@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000291245167 532898754 /nfs/dbraw/zinc/89/87/54/532898754.db2.gz NKVLBEOCQVCNRZ-HNNXBMFYSA-N 1 2 385.302 2.145 20 0 GEADLO COCC[C@H]1COCC[N@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000291245167 532898755 /nfs/dbraw/zinc/89/87/55/532898755.db2.gz NKVLBEOCQVCNRZ-HNNXBMFYSA-N 1 2 385.302 2.145 20 0 GEADLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000276824960 532901701 /nfs/dbraw/zinc/90/17/01/532901701.db2.gz QAQDYHVFFWORTJ-CYBMUJFWSA-N 1 2 381.270 2.417 20 0 GEADLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000276824960 532901703 /nfs/dbraw/zinc/90/17/03/532901703.db2.gz QAQDYHVFFWORTJ-CYBMUJFWSA-N 1 2 381.270 2.417 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2cccc(Cl)c2Br)C1 ZINC000276760738 532900593 /nfs/dbraw/zinc/90/05/93/532900593.db2.gz MGXJTCFPMKMZIY-SNVBAGLBSA-N 1 2 375.698 2.470 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2cccc(Cl)c2Br)C1 ZINC000276760738 532900594 /nfs/dbraw/zinc/90/05/94/532900594.db2.gz MGXJTCFPMKMZIY-SNVBAGLBSA-N 1 2 375.698 2.470 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2cccc(Cl)c2Br)C1 ZINC000276760728 532900793 /nfs/dbraw/zinc/90/07/93/532900793.db2.gz MGXJTCFPMKMZIY-JTQLQIEISA-N 1 2 375.698 2.470 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2cccc(Cl)c2Br)C1 ZINC000276760728 532900795 /nfs/dbraw/zinc/90/07/95/532900795.db2.gz MGXJTCFPMKMZIY-JTQLQIEISA-N 1 2 375.698 2.470 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](C)[C@@H]3CO)[nH+]c12 ZINC000276788406 532901078 /nfs/dbraw/zinc/90/10/78/532901078.db2.gz QQSGUIVNBZQGFH-YGRLFVJLSA-N 1 2 381.274 2.318 20 0 GEADLO COCCC[N@@H+]1CCCN(S(=O)(=O)c2cc(C(C)=O)ccc2Cl)CC1 ZINC000363861766 532901643 /nfs/dbraw/zinc/90/16/43/532901643.db2.gz RKGBIJXBKHPPNI-UHFFFAOYSA-N 1 2 388.917 2.276 20 0 GEADLO COCCC[N@H+]1CCCN(S(=O)(=O)c2cc(C(C)=O)ccc2Cl)CC1 ZINC000363861766 532901645 /nfs/dbraw/zinc/90/16/45/532901645.db2.gz RKGBIJXBKHPPNI-UHFFFAOYSA-N 1 2 388.917 2.276 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364274057 532905609 /nfs/dbraw/zinc/90/56/09/532905609.db2.gz QZDPWDPACWEYMI-UHFFFAOYSA-N 1 2 391.269 2.308 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364274057 532905610 /nfs/dbraw/zinc/90/56/10/532905610.db2.gz QZDPWDPACWEYMI-UHFFFAOYSA-N 1 2 391.269 2.308 20 0 GEADLO Cc1cnc(Br)c(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000291511583 532903012 /nfs/dbraw/zinc/90/30/12/532903012.db2.gz OPPYZMIHGLCYDX-LLVKDONJSA-N 1 2 392.257 2.220 20 0 GEADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2ccc3ncsc3c2)C1 ZINC000276892555 532903199 /nfs/dbraw/zinc/90/31/99/532903199.db2.gz GNLFZLIAOAXKJE-AWEZNQCLSA-N 1 2 381.523 2.028 20 0 GEADLO C[N@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2ccc3ncsc3c2)C1 ZINC000276892555 532903201 /nfs/dbraw/zinc/90/32/01/532903201.db2.gz GNLFZLIAOAXKJE-AWEZNQCLSA-N 1 2 381.523 2.028 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000276977135 532905009 /nfs/dbraw/zinc/90/50/09/532905009.db2.gz FDGUZSICDFNQMC-UHFFFAOYSA-N 1 2 375.445 2.008 20 0 GEADLO Cn1cc([C@H](CO)[NH2+]Cc2ccnc(-c3ccc(Br)cc3)n2)cn1 ZINC000364441385 532906914 /nfs/dbraw/zinc/90/69/14/532906914.db2.gz DOEWGDIORUXBER-INIZCTEOSA-N 1 2 388.269 2.463 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000291679485 532907061 /nfs/dbraw/zinc/90/70/61/532907061.db2.gz RWKBQHGAZRUCNL-UHFFFAOYSA-N 1 2 381.885 2.476 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000291859135 532909630 /nfs/dbraw/zinc/90/96/30/532909630.db2.gz IRDXBCMBGJYFCH-CYBMUJFWSA-N 1 2 378.947 2.421 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2nc3ccccc3cc2Br)CC1 ZINC000291736119 532908039 /nfs/dbraw/zinc/90/80/39/532908039.db2.gz CPGJMWPDEWHFRF-UHFFFAOYSA-N 1 2 378.270 2.402 20 0 GEADLO COC(=O)c1ccc(OCC[NH+]2CCC(CS(C)(=O)=O)CC2)c(Cl)c1 ZINC000292251294 532914615 /nfs/dbraw/zinc/91/46/15/532914615.db2.gz XRPINSYRDFFAIT-UHFFFAOYSA-N 1 2 389.901 2.262 20 0 GEADLO Cc1csc(NC(=O)[C@H]2CCC[N@@H+]([C@H](C)C(=O)NCC(F)(F)F)C2)n1 ZINC000366452100 532917372 /nfs/dbraw/zinc/91/73/72/532917372.db2.gz UQEUCHCWWGNQJE-MNOVXSKESA-N 1 2 378.420 2.169 20 0 GEADLO Cc1csc(NC(=O)[C@H]2CCC[N@H+]([C@H](C)C(=O)NCC(F)(F)F)C2)n1 ZINC000366452100 532917374 /nfs/dbraw/zinc/91/73/74/532917374.db2.gz UQEUCHCWWGNQJE-MNOVXSKESA-N 1 2 378.420 2.169 20 0 GEADLO Cc1cc(NC(=O)CN2C(=O)COc3cc(Br)ccc32)c(C)c[nH+]1 ZINC000366449748 532917456 /nfs/dbraw/zinc/91/74/56/532917456.db2.gz NEPJUQJKABNQJA-UHFFFAOYSA-N 1 2 390.237 2.247 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000366639886 532919580 /nfs/dbraw/zinc/91/95/80/532919580.db2.gz JMDZSCKIUCKSTG-WBMJQRKESA-N 1 2 381.270 2.045 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000366639886 532919581 /nfs/dbraw/zinc/91/95/81/532919581.db2.gz JMDZSCKIUCKSTG-WBMJQRKESA-N 1 2 381.270 2.045 20 0 GEADLO Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1Cl ZINC000292890015 532919820 /nfs/dbraw/zinc/91/98/20/532919820.db2.gz FULHZNAXKDGUNB-SNVBAGLBSA-N 1 2 378.786 2.013 20 0 GEADLO Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1Cl ZINC000292890015 532919821 /nfs/dbraw/zinc/91/98/21/532919821.db2.gz FULHZNAXKDGUNB-SNVBAGLBSA-N 1 2 378.786 2.013 20 0 GEADLO CC[C@@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(S(N)(=O)=O)c1 ZINC000293002368 532921227 /nfs/dbraw/zinc/92/12/27/532921227.db2.gz SYGJSQXAKXRMAP-CYBMUJFWSA-N 1 2 387.303 2.071 20 0 GEADLO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000293031949 532921308 /nfs/dbraw/zinc/92/13/08/532921308.db2.gz ACJYLBCTKCFNRC-CQSZACIVSA-N 1 2 383.543 2.138 20 0 GEADLO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000293031947 532921429 /nfs/dbraw/zinc/92/14/29/532921429.db2.gz ACJYLBCTKCFNRC-AWEZNQCLSA-N 1 2 383.543 2.138 20 0 GEADLO CCOC(=O)c1csc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)n1 ZINC000293031339 532921497 /nfs/dbraw/zinc/92/14/97/532921497.db2.gz WFTBXQMRBPRYQE-LLVKDONJSA-N 1 2 383.495 2.079 20 0 GEADLO Nc1nc(N)nc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2Br)n1 ZINC000293322548 532925232 /nfs/dbraw/zinc/92/52/32/532925232.db2.gz XPKHDLKZVYQYQZ-LBPRGKRZSA-N 1 2 377.290 2.396 20 0 GEADLO Nc1nc(N)nc(C[N@H+]2CCCC[C@H]2Cc2ccccc2Br)n1 ZINC000293322548 532925233 /nfs/dbraw/zinc/92/52/33/532925233.db2.gz XPKHDLKZVYQYQZ-LBPRGKRZSA-N 1 2 377.290 2.396 20 0 GEADLO Nc1ccc(CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)c[nH+]1 ZINC000367232469 532923757 /nfs/dbraw/zinc/92/37/57/532923757.db2.gz SSKNRIIDNOTOJE-UHFFFAOYSA-N 1 2 388.229 2.329 20 0 GEADLO O=C(COc1cccc(Br)c1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000367260376 532923953 /nfs/dbraw/zinc/92/39/53/532923953.db2.gz OAZDNERIWVJXGN-MRXNPFEDSA-N 1 2 376.254 2.396 20 0 GEADLO O=C(COc1cccc(Br)c1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000367260375 532924063 /nfs/dbraw/zinc/92/40/63/532924063.db2.gz OAZDNERIWVJXGN-INIZCTEOSA-N 1 2 376.254 2.396 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c(Br)c1 ZINC000367361301 532924309 /nfs/dbraw/zinc/92/43/09/532924309.db2.gz OQNMRUXGTXUHHF-AWEZNQCLSA-N 1 2 389.315 2.114 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c(Br)c1 ZINC000367361301 532924311 /nfs/dbraw/zinc/92/43/11/532924311.db2.gz OQNMRUXGTXUHHF-AWEZNQCLSA-N 1 2 389.315 2.114 20 0 GEADLO COC(=O)c1cn(C2CC[NH+](Cc3cccc(Br)n3)CC2)nn1 ZINC000293272409 532924645 /nfs/dbraw/zinc/92/46/45/532924645.db2.gz SPJGCPIYSCJNHV-UHFFFAOYSA-N 1 2 380.246 2.059 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367445754 532924838 /nfs/dbraw/zinc/92/48/38/532924838.db2.gz ALHMIILOFXWNJW-MRXNPFEDSA-N 1 2 378.274 2.427 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367445754 532924840 /nfs/dbraw/zinc/92/48/40/532924840.db2.gz ALHMIILOFXWNJW-MRXNPFEDSA-N 1 2 378.274 2.427 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000293388822 532926247 /nfs/dbraw/zinc/92/62/47/532926247.db2.gz REPFFKBGQWUCTG-LBPRGKRZSA-N 1 2 399.285 2.028 20 0 GEADLO COc1ccc(Br)c(CC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000367737415 532926937 /nfs/dbraw/zinc/92/69/37/532926937.db2.gz HSEOMHHHNUPZMG-UKRRQHHQSA-N 1 2 397.313 2.322 20 0 GEADLO COc1ccc(Br)c(CC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000367737413 532927040 /nfs/dbraw/zinc/92/70/40/532927040.db2.gz HSEOMHHHNUPZMG-HIFRSBDPSA-N 1 2 397.313 2.322 20 0 GEADLO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2cccc(O)c2Cl)c1 ZINC000293496249 532927855 /nfs/dbraw/zinc/92/78/55/532927855.db2.gz GWULYICTTKSBDE-UHFFFAOYSA-N 1 2 384.885 2.260 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N2CCn3c[nH+]cc3C2)ccc1Br ZINC000368000996 532929401 /nfs/dbraw/zinc/92/94/01/532929401.db2.gz LUFYXIJSABMHKB-UHFFFAOYSA-N 1 2 384.255 2.053 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ncc(I)s1 ZINC000368046438 532929822 /nfs/dbraw/zinc/92/98/22/532929822.db2.gz YRPOHQXQAHMFAG-GHMZBOCLSA-N 1 2 393.294 2.043 20 0 GEADLO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1nnc(S(C)(=O)=O)s1 ZINC000367613913 532926026 /nfs/dbraw/zinc/92/60/26/532926026.db2.gz GHXMOHVBPJHRNE-RBSFLKMASA-N 1 2 381.523 2.383 20 0 GEADLO NS(=O)(=O)CCCCCCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000293751365 532930890 /nfs/dbraw/zinc/93/08/90/532930890.db2.gz PCFMUYAUODIFDQ-UHFFFAOYSA-N 1 2 388.559 2.307 20 0 GEADLO O=C(NCc1cc(F)ccc1Br)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368304310 532931506 /nfs/dbraw/zinc/93/15/06/532931506.db2.gz LSWGWYHMGMRSON-AWEZNQCLSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(NCc1cc(F)ccc1Br)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368304310 532931508 /nfs/dbraw/zinc/93/15/08/532931508.db2.gz LSWGWYHMGMRSON-AWEZNQCLSA-N 1 2 386.265 2.251 20 0 GEADLO O=C(C[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1)Nc1ccc(Br)cc1 ZINC000369061895 532936861 /nfs/dbraw/zinc/93/68/61/532936861.db2.gz GTJYSWUDOWYBRN-HNNXBMFYSA-N 1 2 380.286 2.378 20 0 GEADLO O=C(C[N@H+]1CC[C@H](NC(=O)C2CCC2)C1)Nc1ccc(Br)cc1 ZINC000369061895 532936863 /nfs/dbraw/zinc/93/68/63/532936863.db2.gz GTJYSWUDOWYBRN-HNNXBMFYSA-N 1 2 380.286 2.378 20 0 GEADLO O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000294257342 532937311 /nfs/dbraw/zinc/93/73/11/532937311.db2.gz FIAMJEMKHNBDSC-GFCCVEGCSA-N 1 2 399.925 2.062 20 0 GEADLO CSc1ccc([C@@H](CNC(=O)C2(S(C)(=O)=O)CCCC2)[NH+](C)C)cc1 ZINC000294282696 532937623 /nfs/dbraw/zinc/93/76/23/532937623.db2.gz GYWKQHAELMQIMP-MRXNPFEDSA-N 1 2 384.567 2.485 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370340029 532942858 /nfs/dbraw/zinc/94/28/58/532942858.db2.gz JWWFVQOBYNVNKC-DTWKUNHWSA-N 1 2 397.298 2.026 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370340029 532942859 /nfs/dbraw/zinc/94/28/59/532942859.db2.gz JWWFVQOBYNVNKC-DTWKUNHWSA-N 1 2 397.298 2.026 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370340031 532942979 /nfs/dbraw/zinc/94/29/79/532942979.db2.gz JWWFVQOBYNVNKC-RKDXNWHRSA-N 1 2 397.298 2.026 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370340031 532942980 /nfs/dbraw/zinc/94/29/80/532942980.db2.gz JWWFVQOBYNVNKC-RKDXNWHRSA-N 1 2 397.298 2.026 20 0 GEADLO O=C(c1cc(Cl)sc1Cl)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000370037229 532941757 /nfs/dbraw/zinc/94/17/57/532941757.db2.gz PWMHAXFWAZEMLK-NSHDSACASA-N 1 2 376.309 2.481 20 0 GEADLO COC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2csc(Br)c2)CC1 ZINC000370024156 532941936 /nfs/dbraw/zinc/94/19/36/532941936.db2.gz ASQCJKROYJVXGC-ONEGZZNKSA-N 1 2 387.299 2.231 20 0 GEADLO COC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2csc(Br)c2)CC1 ZINC000370024156 532941937 /nfs/dbraw/zinc/94/19/37/532941937.db2.gz ASQCJKROYJVXGC-ONEGZZNKSA-N 1 2 387.299 2.231 20 0 GEADLO Ic1ccc2ncnc(N3CCn4c[nH+]cc4C3)c2c1 ZINC000370677246 532944808 /nfs/dbraw/zinc/94/48/08/532944808.db2.gz NGECXHXYOBKOQO-UHFFFAOYSA-N 1 2 377.189 2.451 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)c3cc(F)ccc3Br)CC2)CCCC1 ZINC000370797201 532945346 /nfs/dbraw/zinc/94/53/46/532945346.db2.gz ZEQRGRJFPNJAPW-UHFFFAOYSA-N 1 2 398.276 2.144 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)c3ccc(Br)c(F)c3)CC2)CCCC1 ZINC000370797259 532945408 /nfs/dbraw/zinc/94/54/08/532945408.db2.gz ZVDKCKRRFMYRLR-UHFFFAOYSA-N 1 2 398.276 2.144 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc3ccc(Cl)cc23)CC1 ZINC000370981617 532946371 /nfs/dbraw/zinc/94/63/71/532946371.db2.gz CVRNZFGSJYGLES-UHFFFAOYSA-N 1 2 379.913 2.378 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc3ccc(Cl)cc23)CC1 ZINC000370981617 532946372 /nfs/dbraw/zinc/94/63/72/532946372.db2.gz CVRNZFGSJYGLES-UHFFFAOYSA-N 1 2 379.913 2.378 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(Br)s1 ZINC000371457787 532948243 /nfs/dbraw/zinc/94/82/43/532948243.db2.gz IRIITJVVOFETTE-JTQLQIEISA-N 1 2 397.298 2.338 20 0 GEADLO O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371442727 532948250 /nfs/dbraw/zinc/94/82/50/532948250.db2.gz KTZLXWPJZNIQLB-CYBMUJFWSA-N 1 2 377.242 2.266 20 0 GEADLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1c(F)cccc1I ZINC000371441723 532948258 /nfs/dbraw/zinc/94/82/58/532948258.db2.gz COMNDROQMACVHA-MRVPVSSYSA-N 1 2 385.180 2.441 20 0 GEADLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1c(F)cccc1I ZINC000371441723 532948259 /nfs/dbraw/zinc/94/82/59/532948259.db2.gz COMNDROQMACVHA-MRVPVSSYSA-N 1 2 385.180 2.441 20 0 GEADLO Cc1nc([C@@H]2COCCN2Cc2c[nH+]c3ccc(Br)cn23)no1 ZINC000371551970 532948570 /nfs/dbraw/zinc/94/85/70/532948570.db2.gz GYRMZICAKSNFLN-ZDUSSCGKSA-N 1 2 378.230 2.362 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000371540952 532948660 /nfs/dbraw/zinc/94/86/60/532948660.db2.gz LJEVZDUEQZPXAN-UONOGXRCSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000371540952 532948661 /nfs/dbraw/zinc/94/86/61/532948661.db2.gz LJEVZDUEQZPXAN-UONOGXRCSA-N 1 2 384.307 2.377 20 0 GEADLO NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000053717839 222012482 /nfs/dbraw/zinc/01/24/82/222012482.db2.gz BRXQVQMBEQIZPM-KRWDZBQOSA-N 1 2 377.441 2.249 20 0 GEADLO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000053717839 222012486 /nfs/dbraw/zinc/01/24/86/222012486.db2.gz BRXQVQMBEQIZPM-KRWDZBQOSA-N 1 2 377.441 2.249 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2cccc(OC(F)F)c2)C1 ZINC000275831206 570700582 /nfs/dbraw/zinc/70/05/82/570700582.db2.gz WWXDTHSVJTZYOR-CYBMUJFWSA-N 1 2 377.395 2.007 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2cccc(OC(F)F)c2)C1 ZINC000275831206 570700585 /nfs/dbraw/zinc/70/05/85/570700585.db2.gz WWXDTHSVJTZYOR-CYBMUJFWSA-N 1 2 377.395 2.007 20 0 GEADLO O=C(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737880064 598917352 /nfs/dbraw/zinc/91/73/52/598917352.db2.gz YCXDQOAULZEIJO-HNNXBMFYSA-N 1 2 386.847 2.409 20 0 GEADLO O=C(C[N@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737880064 598917354 /nfs/dbraw/zinc/91/73/54/598917354.db2.gz YCXDQOAULZEIJO-HNNXBMFYSA-N 1 2 386.847 2.409 20 0 GEADLO Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000737301154 598949372 /nfs/dbraw/zinc/94/93/72/598949372.db2.gz JOHWMCPYRLBGBF-UHFFFAOYSA-N 1 2 382.405 2.129 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736202753 598962992 /nfs/dbraw/zinc/96/29/92/598962992.db2.gz JMFKSBMEMMJYKP-AWEZNQCLSA-N 1 2 378.440 2.172 20 0 GEADLO Cc1cccc(NC[C@H]2CCN(c3c4ccccc4nnc3-c3nn[nH]n3)C2)[nH+]1 ZINC000737398695 598963731 /nfs/dbraw/zinc/96/37/31/598963731.db2.gz DPAYZVIRVJVTBF-CQSZACIVSA-N 1 2 387.451 2.452 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)nc2)C[C@H](C)O1 ZINC000736287826 598993887 /nfs/dbraw/zinc/99/38/87/598993887.db2.gz GHGQGKRFJWIJRP-OKILXGFUSA-N 1 2 393.451 2.123 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)nc2)C[C@H](C)O1 ZINC000736287826 598993889 /nfs/dbraw/zinc/99/38/89/598993889.db2.gz GHGQGKRFJWIJRP-OKILXGFUSA-N 1 2 393.451 2.123 20 0 GEADLO CC[N@H+](C)[C@@H](C(=O)OCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736509291 599030642 /nfs/dbraw/zinc/03/06/42/599030642.db2.gz DOJJMTAMXGMHKX-GOSISDBHSA-N 1 2 381.436 2.482 20 0 GEADLO CC[N@@H+](C)[C@@H](C(=O)OCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736509291 599030644 /nfs/dbraw/zinc/03/06/44/599030644.db2.gz DOJJMTAMXGMHKX-GOSISDBHSA-N 1 2 381.436 2.482 20 0 GEADLO CCc1cc(-c2nn[nH]n2)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000736678709 599034391 /nfs/dbraw/zinc/03/43/91/599034391.db2.gz FTCGNSCEYJVTLG-INIZCTEOSA-N 1 2 398.492 2.330 20 0 GEADLO CCc1cc(-c2nn[nH]n2)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000736678709 599034394 /nfs/dbraw/zinc/03/43/94/599034394.db2.gz FTCGNSCEYJVTLG-INIZCTEOSA-N 1 2 398.492 2.330 20 0 GEADLO Cc1sc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(-c2nn[nH]n2)c1C ZINC000737561495 599035569 /nfs/dbraw/zinc/03/55/69/599035569.db2.gz ILEKNFVIIDTCHE-HNNXBMFYSA-N 1 2 398.492 2.385 20 0 GEADLO Cc1sc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(-c2nn[nH]n2)c1C ZINC000737561495 599035572 /nfs/dbraw/zinc/03/55/72/599035572.db2.gz ILEKNFVIIDTCHE-HNNXBMFYSA-N 1 2 398.492 2.385 20 0 GEADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000821206839 599215997 /nfs/dbraw/zinc/21/59/97/599215997.db2.gz GCQDWZMQRTWVGB-UHFFFAOYSA-N 1 2 392.467 2.035 20 0 GEADLO CCC(CC)[C@H](C(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCOCC1 ZINC000736338596 599238195 /nfs/dbraw/zinc/23/81/95/599238195.db2.gz YOXVVTHTNYTCNI-KBXCAEBGSA-N 1 2 386.500 2.181 20 0 GEADLO Cc1cc([NH+]2CCCC2)ccc1NC[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000822207109 607308209 /nfs/dbraw/zinc/30/82/09/607308209.db2.gz KWECCILRXYBIKO-AWEZNQCLSA-N 1 2 379.472 2.126 20 0 GEADLO COCC(=O)Nc1cccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)c1 ZINC000736966113 599269142 /nfs/dbraw/zinc/26/91/42/599269142.db2.gz LEAJGENHMMDHLZ-UHFFFAOYSA-N 1 2 389.419 2.034 20 0 GEADLO O=C(C[N@@H+]1CCS[C@@H](c2ccccc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737884684 599271768 /nfs/dbraw/zinc/27/17/68/599271768.db2.gz PYKJNCAVPQAHQP-GOSISDBHSA-N 1 2 394.504 2.273 20 0 GEADLO O=C(C[N@H+]1CCS[C@@H](c2ccccc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737884684 599271771 /nfs/dbraw/zinc/27/17/71/599271771.db2.gz PYKJNCAVPQAHQP-GOSISDBHSA-N 1 2 394.504 2.273 20 0 GEADLO Cc1c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1-c1nn[nH]n1 ZINC000822068727 607321083 /nfs/dbraw/zinc/32/10/83/607321083.db2.gz UEIRMNXYTHMLSL-GOSISDBHSA-N 1 2 378.436 2.015 20 0 GEADLO Cc1c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1-c1nn[nH]n1 ZINC000822068727 607321084 /nfs/dbraw/zinc/32/10/84/607321084.db2.gz UEIRMNXYTHMLSL-GOSISDBHSA-N 1 2 378.436 2.015 20 0 GEADLO COC(=O)c1ccoc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736957482 598249098 /nfs/dbraw/zinc/24/90/98/598249098.db2.gz RCVUWMSIHZCKLL-UHFFFAOYSA-N 1 2 383.408 2.290 20 0 GEADLO c1ccc(-c2nnc(C[NH+]3CCN(c4ccccc4-c4nn[nH]n4)CC3)o2)cc1 ZINC000738423763 598255994 /nfs/dbraw/zinc/25/59/94/598255994.db2.gz UKFAZZCEVJXVSV-UHFFFAOYSA-N 1 2 388.435 2.239 20 0 GEADLO Clc1ccc(NCCN2CC[NH+](Cc3ccccc3)CC2)nc1-c1nn[nH]n1 ZINC000737574820 598275320 /nfs/dbraw/zinc/27/53/20/598275320.db2.gz PZMNVFPABASWOQ-UHFFFAOYSA-N 1 2 398.902 2.145 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)c1C ZINC000737027004 598320912 /nfs/dbraw/zinc/32/09/12/598320912.db2.gz WNQORRLNLITJQN-UHFFFAOYSA-N 1 2 385.403 2.026 20 0 GEADLO C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736140458 598332595 /nfs/dbraw/zinc/33/25/95/598332595.db2.gz WKWGLMXLAMLCGI-KGLIPLIRSA-N 1 2 380.456 2.039 20 0 GEADLO C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736140458 598332597 /nfs/dbraw/zinc/33/25/97/598332597.db2.gz WKWGLMXLAMLCGI-KGLIPLIRSA-N 1 2 380.456 2.039 20 0 GEADLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC000736203971 598338317 /nfs/dbraw/zinc/33/83/17/598338317.db2.gz PUISMYCHTSUTER-GFCCVEGCSA-N 1 2 393.480 2.150 20 0 GEADLO Cc1cc(N2CCc3c([nH+]cn3C)C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000737272891 598339463 /nfs/dbraw/zinc/33/94/63/598339463.db2.gz VMBFVBKGYOPNCS-UHFFFAOYSA-N 1 2 385.435 2.272 20 0 GEADLO CC(C)(C)n1cc(CN2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)cn1 ZINC000735662630 598365738 /nfs/dbraw/zinc/36/57/38/598365738.db2.gz VLRIEFJDLBAJSH-UHFFFAOYSA-N 1 2 398.490 2.275 20 0 GEADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000736635060 598412770 /nfs/dbraw/zinc/41/27/70/598412770.db2.gz SJKPMDZSBRQLAJ-UHFFFAOYSA-N 1 2 382.428 2.120 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737844941 598461283 /nfs/dbraw/zinc/46/12/83/598461283.db2.gz XDDTUGNGVPYJQE-GOSISDBHSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737844941 598461284 /nfs/dbraw/zinc/46/12/84/598461284.db2.gz XDDTUGNGVPYJQE-GOSISDBHSA-N 1 2 396.426 2.408 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736097757 598548216 /nfs/dbraw/zinc/54/82/16/598548216.db2.gz QJIQRYWMCRKGKW-CYBMUJFWSA-N 1 2 393.407 2.054 20 0 GEADLO Clc1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc1-c1nn[nH]n1 ZINC000737574238 598571479 /nfs/dbraw/zinc/57/14/79/598571479.db2.gz NBTUJGXEIWMQJV-AWEZNQCLSA-N 1 2 385.859 2.228 20 0 GEADLO Clc1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1-c1nn[nH]n1 ZINC000737574238 598571480 /nfs/dbraw/zinc/57/14/80/598571480.db2.gz NBTUJGXEIWMQJV-AWEZNQCLSA-N 1 2 385.859 2.228 20 0 GEADLO FC(F)Oc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CCn4ccnc4C3)c2c1 ZINC000737639056 598669523 /nfs/dbraw/zinc/66/95/23/598669523.db2.gz MBTYKIFONXQFFE-UHFFFAOYSA-N 1 2 384.350 2.233 20 0 GEADLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000821849301 607364180 /nfs/dbraw/zinc/36/41/80/607364180.db2.gz CNTRWXVZFIVBFO-CYBMUJFWSA-N 1 2 378.436 2.261 20 0 GEADLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000821849301 607364183 /nfs/dbraw/zinc/36/41/83/607364183.db2.gz CNTRWXVZFIVBFO-CYBMUJFWSA-N 1 2 378.436 2.261 20 0 GEADLO c1nn2cc(C[NH2+][C@H](c3ccccc3)c3cccnc3)cnc2c1-c1nn[nH]n1 ZINC000738427603 598698487 /nfs/dbraw/zinc/69/84/87/598698487.db2.gz JNLCZJPSVIIHHW-GOSISDBHSA-N 1 2 383.419 2.184 20 0 GEADLO COc1ccc(CC(N)=[NH+]OCCCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737089559 598698642 /nfs/dbraw/zinc/69/86/42/598698642.db2.gz YBIDGUCFUDEWTJ-UHFFFAOYSA-N 1 2 382.424 2.385 20 0 GEADLO O=C(CSc1ccc(-c2nn[nH]n2)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000737941272 598700956 /nfs/dbraw/zinc/70/09/56/598700956.db2.gz KHAVXULDJADJBU-UHFFFAOYSA-N 1 2 391.460 2.461 20 0 GEADLO O=C(C1CCCCC1)N1CC[NH+](CCNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737782465 598817653 /nfs/dbraw/zinc/81/76/53/598817653.db2.gz GHGJRKWBFUGWAG-UHFFFAOYSA-N 1 2 383.500 2.003 20 0 GEADLO CCC/C=C\C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736439310 598819837 /nfs/dbraw/zinc/81/98/37/598819837.db2.gz ORPWPXYPEILCGA-WTKPLQERSA-N 1 2 377.452 2.420 20 0 GEADLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)n1 ZINC000737454825 599355835 /nfs/dbraw/zinc/35/58/35/599355835.db2.gz HHDRUZPCBAXCQP-UHFFFAOYSA-N 1 2 375.458 2.305 20 0 GEADLO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820451269 599374340 /nfs/dbraw/zinc/37/43/40/599374340.db2.gz ULWHXIUQVXPLBT-CYBMUJFWSA-N 1 2 395.448 2.092 20 0 GEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000823249778 599426511 /nfs/dbraw/zinc/42/65/11/599426511.db2.gz IVJVAQMHNZALQE-UHFFFAOYSA-N 1 2 392.398 2.191 20 0 GEADLO CCc1nc(CN2CCC(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)CC2)cs1 ZINC000821508754 599436171 /nfs/dbraw/zinc/43/61/71/599436171.db2.gz AKGSNSDSSKCSEZ-UHFFFAOYSA-N 1 2 387.513 2.480 20 0 GEADLO Cc1ccc(-n2nc(CCCNc3cc[nH+]c(C)n3)c(-c3nn[nH]n3)c2N)cc1 ZINC000822225204 599479200 /nfs/dbraw/zinc/47/92/00/599479200.db2.gz RZIWUOQPRWMTHP-UHFFFAOYSA-N 1 2 390.455 2.086 20 0 GEADLO COc1cccnc1N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000821903343 599542100 /nfs/dbraw/zinc/54/21/00/599542100.db2.gz FMVDAQZPALONRD-UHFFFAOYSA-N 1 2 388.435 2.145 20 0 GEADLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccsc1 ZINC000735524472 599561220 /nfs/dbraw/zinc/56/12/20/599561220.db2.gz BUUMAVDZYJAJQG-CQSZACIVSA-N 1 2 382.493 2.376 20 0 GEADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736305435 599591026 /nfs/dbraw/zinc/59/10/26/599591026.db2.gz UCUUWZLKFYJCPG-CYBMUJFWSA-N 1 2 380.427 2.241 20 0 GEADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736305435 599591029 /nfs/dbraw/zinc/59/10/29/599591029.db2.gz UCUUWZLKFYJCPG-CYBMUJFWSA-N 1 2 380.427 2.241 20 0 GEADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736306695 599591103 /nfs/dbraw/zinc/59/11/03/599591103.db2.gz ZAPAKSWSRCIJCM-ZDUSSCGKSA-N 1 2 380.427 2.241 20 0 GEADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736306695 599591106 /nfs/dbraw/zinc/59/11/06/599591106.db2.gz ZAPAKSWSRCIJCM-ZDUSSCGKSA-N 1 2 380.427 2.241 20 0 GEADLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000820187887 607393357 /nfs/dbraw/zinc/39/33/57/607393357.db2.gz XSNGZDQGCFCKRS-UHFFFAOYSA-N 1 2 391.479 2.343 20 0 GEADLO Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3C(=O)[O-])C2)c1 ZINC000738798935 600111708 /nfs/dbraw/zinc/11/17/08/600111708.db2.gz VLMDLLKUKXXCIY-INIZCTEOSA-N 1 2 382.464 2.485 20 0 GEADLO Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)N(C)c3ccccc3C(=O)[O-])C2)c1 ZINC000738798935 600111711 /nfs/dbraw/zinc/11/17/11/600111711.db2.gz VLMDLLKUKXXCIY-INIZCTEOSA-N 1 2 382.464 2.485 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000826253523 607445419 /nfs/dbraw/zinc/44/54/19/607445419.db2.gz UBHBRRUDEOXQBI-IBGZPJMESA-N 1 2 393.447 2.119 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000826253523 607445421 /nfs/dbraw/zinc/44/54/21/607445421.db2.gz UBHBRRUDEOXQBI-IBGZPJMESA-N 1 2 393.447 2.119 20 0 GEADLO C[C@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736663179 600522467 /nfs/dbraw/zinc/52/24/67/600522467.db2.gz VWCHYXPATAYSFR-WMLDXEAASA-N 1 2 398.507 2.488 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000826183667 607469721 /nfs/dbraw/zinc/46/97/21/607469721.db2.gz WOZRIUNFHGCQJQ-ZDUSSCGKSA-N 1 2 388.472 2.317 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000826183667 607469722 /nfs/dbraw/zinc/46/97/22/607469722.db2.gz WOZRIUNFHGCQJQ-ZDUSSCGKSA-N 1 2 388.472 2.317 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000826183666 607469920 /nfs/dbraw/zinc/46/99/20/607469920.db2.gz WOZRIUNFHGCQJQ-CYBMUJFWSA-N 1 2 388.472 2.317 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000826183666 607469922 /nfs/dbraw/zinc/46/99/22/607469922.db2.gz WOZRIUNFHGCQJQ-CYBMUJFWSA-N 1 2 388.472 2.317 20 0 GEADLO CC[C@@H](O)C[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)Cc1ccccc1 ZINC000825154818 607473196 /nfs/dbraw/zinc/47/31/96/607473196.db2.gz UHHVGXXATGMBAC-MRXNPFEDSA-N 1 2 398.467 2.288 20 0 GEADLO CC[C@@H](O)C[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)Cc1ccccc1 ZINC000825154818 607473198 /nfs/dbraw/zinc/47/31/98/607473198.db2.gz UHHVGXXATGMBAC-MRXNPFEDSA-N 1 2 398.467 2.288 20 0 GEADLO Fc1cccc(Cl)c1CN1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826377563 607480766 /nfs/dbraw/zinc/48/07/66/607480766.db2.gz WZOLEINRKQWZRG-UHFFFAOYSA-N 1 2 387.850 2.372 20 0 GEADLO COc1cccc([C@H](C)[NH+]2CCN(Cc3ccnc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826214290 607495199 /nfs/dbraw/zinc/49/51/99/607495199.db2.gz HDSCVHSGWKNYAF-HNNXBMFYSA-N 1 2 379.468 2.149 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000827124199 601512659 /nfs/dbraw/zinc/51/26/59/601512659.db2.gz LJKQFRQUFBREBH-PXNSSMCTSA-N 1 2 387.524 2.107 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000827124199 601512660 /nfs/dbraw/zinc/51/26/60/601512660.db2.gz LJKQFRQUFBREBH-PXNSSMCTSA-N 1 2 387.524 2.107 20 0 GEADLO COc1ccc(C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826195207 607517506 /nfs/dbraw/zinc/51/75/06/607517506.db2.gz LIRSYQVYRXCPMO-UHFFFAOYSA-N 1 2 399.499 2.035 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@](C)(C(=O)[O-])C3)CC2)cc1 ZINC000262747436 601934596 /nfs/dbraw/zinc/93/45/96/601934596.db2.gz ARFNQOCXCNXRKW-QFIPXVFZSA-N 1 2 387.524 2.251 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@](C)(C(=O)[O-])C3)CC2)cc1 ZINC000262747436 601934599 /nfs/dbraw/zinc/93/45/99/601934599.db2.gz ARFNQOCXCNXRKW-QFIPXVFZSA-N 1 2 387.524 2.251 20 0 GEADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c(C)c1 ZINC000826284001 607540094 /nfs/dbraw/zinc/54/00/94/607540094.db2.gz HDYBSQIPXSJAHQ-KRWDZBQOSA-N 1 2 376.424 2.179 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000826183106 607634153 /nfs/dbraw/zinc/63/41/53/607634153.db2.gz DJFKEZUTGOPLKJ-OAHLLOKOSA-N 1 2 379.468 2.149 20 0 GEADLO CCCC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCN(C(=O)[O-])CC2)CC1 ZINC000826829852 603790385 /nfs/dbraw/zinc/79/03/85/603790385.db2.gz JPMPJSZNUXAYOH-UHFFFAOYSA-N 1 2 382.549 2.031 20 0 GEADLO CCCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCN(C(=O)[O-])CC2)CC1 ZINC000826829852 603790387 /nfs/dbraw/zinc/79/03/87/603790387.db2.gz JPMPJSZNUXAYOH-UHFFFAOYSA-N 1 2 382.549 2.031 20 0 GEADLO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000444175426 649938694 /nfs/dbraw/zinc/93/86/94/649938694.db2.gz KESOWVKPGCSXAU-NSHDSACASA-N 1 2 378.420 2.204 20 0 GEADLO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000444175426 649938700 /nfs/dbraw/zinc/93/87/00/649938700.db2.gz KESOWVKPGCSXAU-NSHDSACASA-N 1 2 378.420 2.204 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000828466540 603938620 /nfs/dbraw/zinc/93/86/20/603938620.db2.gz PGONRSGNKZTKHL-ZWKOTPCHSA-N 1 2 382.549 2.077 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000828466540 603938622 /nfs/dbraw/zinc/93/86/22/603938622.db2.gz PGONRSGNKZTKHL-ZWKOTPCHSA-N 1 2 382.549 2.077 20 0 GEADLO O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[nH]n1)N1CCc2c[nH+]ccc21 ZINC000826494408 607665064 /nfs/dbraw/zinc/66/50/64/607665064.db2.gz ASHJECMINAJHHN-UHFFFAOYSA-N 1 2 396.354 2.032 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000826249277 607665840 /nfs/dbraw/zinc/66/58/40/607665840.db2.gz TXOGJBNBZWBJMQ-UHFFFAOYSA-N 1 2 377.452 2.490 20 0 GEADLO Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000738167150 604326870 /nfs/dbraw/zinc/32/68/70/604326870.db2.gz XRXNTERCAAXVFT-UHFFFAOYSA-N 1 2 376.501 2.010 20 0 GEADLO COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000833702731 604480842 /nfs/dbraw/zinc/48/08/42/604480842.db2.gz YQSYRJFSMUIXRO-IBGZPJMESA-N 1 2 390.480 2.176 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2F)CC[N@@H+]1CCO ZINC000444348817 649946787 /nfs/dbraw/zinc/94/67/87/649946787.db2.gz CBXHTQLLNYQUNS-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2F)CC[N@H+]1CCO ZINC000444348817 649946789 /nfs/dbraw/zinc/94/67/89/649946789.db2.gz CBXHTQLLNYQUNS-SECBINFHSA-N 1 2 379.657 2.380 20 0 GEADLO C[C@]1([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000833569170 604819377 /nfs/dbraw/zinc/81/93/77/604819377.db2.gz JCHAFJHXVWICIT-NQIIRXRSSA-N 1 2 389.496 2.080 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000444793642 649952569 /nfs/dbraw/zinc/95/25/69/649952569.db2.gz PQVOZNKORPASPT-CQSZACIVSA-N 1 2 389.901 2.405 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000444793642 649952565 /nfs/dbraw/zinc/95/25/65/649952565.db2.gz PQVOZNKORPASPT-CQSZACIVSA-N 1 2 389.901 2.405 20 0 GEADLO O=C([O-])CCC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000833773081 605228057 /nfs/dbraw/zinc/22/80/57/605228057.db2.gz IBYAASWNMPMWNC-KRWDZBQOSA-N 1 2 377.460 2.240 20 0 GEADLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1-c1nn[nH]n1 ZINC000826193469 607749597 /nfs/dbraw/zinc/74/95/97/607749597.db2.gz DXPJGNRBDVABFF-DYVFJYSZSA-N 1 2 387.390 2.461 20 0 GEADLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1-c1nn[nH]n1 ZINC000826193469 607749598 /nfs/dbraw/zinc/74/95/98/607749598.db2.gz DXPJGNRBDVABFF-DYVFJYSZSA-N 1 2 387.390 2.461 20 0 GEADLO Cc1ccccc1CC(N)=[NH+]O[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822356116 606202486 /nfs/dbraw/zinc/20/24/86/606202486.db2.gz JUBGEEQHPNDWRB-ZDUSSCGKSA-N 1 2 379.424 2.243 20 0 GEADLO CN1CCN(C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)c2ccccc2)CC1 ZINC000821627360 606217110 /nfs/dbraw/zinc/21/71/10/606217110.db2.gz YGTPEOHWOQYGSX-GOSISDBHSA-N 1 2 383.525 2.007 20 0 GEADLO CN(C[C@@H](O)COCc1ccccc1)c1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000821594978 606239572 /nfs/dbraw/zinc/23/95/72/606239572.db2.gz IWUVEQZAIRQGEB-MRXNPFEDSA-N 1 2 390.447 2.429 20 0 GEADLO CC1CC[NH+](Cc2csc(NC(=O)c3cc(-c4nn[nH]n4)cn3C)n2)CC1 ZINC000820728859 606281507 /nfs/dbraw/zinc/28/15/07/606281507.db2.gz ZORDSYMUKOSICH-UHFFFAOYSA-N 1 2 386.485 2.146 20 0 GEADLO CC[C@H]([NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1nccs1 ZINC000820926997 606307386 /nfs/dbraw/zinc/30/73/86/606307386.db2.gz YKZRYBBUONISDT-QWRGUYRKSA-N 1 2 375.483 2.231 20 0 GEADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000821652296 606317491 /nfs/dbraw/zinc/31/74/91/606317491.db2.gz PKIQOWCTPPBQBJ-FUHWJXTLSA-N 1 2 393.451 2.059 20 0 GEADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000821652296 606317493 /nfs/dbraw/zinc/31/74/93/606317493.db2.gz PKIQOWCTPPBQBJ-FUHWJXTLSA-N 1 2 393.451 2.059 20 0 GEADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(F)cc1F ZINC000822168013 606361485 /nfs/dbraw/zinc/36/14/85/606361485.db2.gz KUOIMRLGURGDHA-UHFFFAOYSA-N 1 2 398.417 2.411 20 0 GEADLO C[NH+]1CCN(Cc2ccc(CNc3ccc(Cl)c(-c4nn[nH]n4)n3)cc2)CC1 ZINC000821627375 606455123 /nfs/dbraw/zinc/45/51/23/606455123.db2.gz YUDVVDKLEQDUTO-UHFFFAOYSA-N 1 2 398.902 2.275 20 0 GEADLO CN1CC[NH+](Cc2ccc(CNc3ccc(Cl)c(-c4nn[nH]n4)n3)cc2)CC1 ZINC000821627375 606455125 /nfs/dbraw/zinc/45/51/25/606455125.db2.gz YUDVVDKLEQDUTO-UHFFFAOYSA-N 1 2 398.902 2.275 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000821702104 606455413 /nfs/dbraw/zinc/45/54/13/606455413.db2.gz HPNDOABCDCBKEX-GOSISDBHSA-N 1 2 395.463 2.198 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000821702104 606455414 /nfs/dbraw/zinc/45/54/14/606455414.db2.gz HPNDOABCDCBKEX-GOSISDBHSA-N 1 2 395.463 2.198 20 0 GEADLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821334876 606483393 /nfs/dbraw/zinc/48/33/93/606483393.db2.gz SBSKJBBDMFFDCG-CYBMUJFWSA-N 1 2 396.398 2.179 20 0 GEADLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821334876 606483395 /nfs/dbraw/zinc/48/33/95/606483395.db2.gz SBSKJBBDMFFDCG-CYBMUJFWSA-N 1 2 396.398 2.179 20 0 GEADLO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000820528740 606577340 /nfs/dbraw/zinc/57/73/40/606577340.db2.gz NODYGWRXBITJBL-DNVCBOLYSA-N 1 2 392.463 2.149 20 0 GEADLO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000820528740 606577342 /nfs/dbraw/zinc/57/73/42/606577342.db2.gz NODYGWRXBITJBL-DNVCBOLYSA-N 1 2 392.463 2.149 20 0 GEADLO Cc1[nH]ccc1C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822010228 606630360 /nfs/dbraw/zinc/63/03/60/606630360.db2.gz TYTFLAZWYVGHOZ-UHFFFAOYSA-N 1 2 388.435 2.014 20 0 GEADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822000214 606679420 /nfs/dbraw/zinc/67/94/20/606679420.db2.gz BFFWKSIIBDETEO-CYBMUJFWSA-N 1 2 398.417 2.491 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822000214 606679421 /nfs/dbraw/zinc/67/94/21/606679421.db2.gz BFFWKSIIBDETEO-CYBMUJFWSA-N 1 2 398.417 2.491 20 0 GEADLO CC[C@H]1CCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820973149 606811538 /nfs/dbraw/zinc/81/15/38/606811538.db2.gz UOCPOTWGJYWAAB-FUHWJXTLSA-N 1 2 383.500 2.273 20 0 GEADLO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000823601098 606813330 /nfs/dbraw/zinc/81/33/30/606813330.db2.gz QNUCKZYLYCSUFL-UHFFFAOYSA-N 1 2 393.432 2.052 20 0 GEADLO Cn1cc(Cl)cc1C[N@H+](C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821607388 606881236 /nfs/dbraw/zinc/88/12/36/606881236.db2.gz MKURJCPOAGZCRO-INIZCTEOSA-N 1 2 385.859 2.096 20 0 GEADLO Cn1cc(Cl)cc1C[N@@H+](C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821607388 606881237 /nfs/dbraw/zinc/88/12/37/606881237.db2.gz MKURJCPOAGZCRO-INIZCTEOSA-N 1 2 385.859 2.096 20 0 GEADLO C[N@@H+](Cc1nccn1Cc1ccccc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821618191 606905804 /nfs/dbraw/zinc/90/58/04/606905804.db2.gz UPZGRPYLJXHUIG-IBGZPJMESA-N 1 2 389.463 2.277 20 0 GEADLO C[N@H+](Cc1nccn1Cc1ccccc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821618191 606905806 /nfs/dbraw/zinc/90/58/06/606905806.db2.gz UPZGRPYLJXHUIG-IBGZPJMESA-N 1 2 389.463 2.277 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](Oc2ccccn2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822993171 606932203 /nfs/dbraw/zinc/93/22/03/606932203.db2.gz QANXCPHNYOBQBP-CYBMUJFWSA-N 1 2 399.842 2.007 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](Oc2ccccn2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822993171 606932205 /nfs/dbraw/zinc/93/22/05/606932205.db2.gz QANXCPHNYOBQBP-CYBMUJFWSA-N 1 2 399.842 2.007 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)OC(C)(C)C ZINC000820758783 607067459 /nfs/dbraw/zinc/06/74/59/607067459.db2.gz CVVHFVXRMNFKSH-GFCCVEGCSA-N 1 2 376.436 2.447 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)OC(C)(C)C ZINC000820758783 607067461 /nfs/dbraw/zinc/06/74/61/607067461.db2.gz CVVHFVXRMNFKSH-GFCCVEGCSA-N 1 2 376.436 2.447 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](OCC(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822557017 607091202 /nfs/dbraw/zinc/09/12/02/607091202.db2.gz FGAYIISSELLCTO-CYBMUJFWSA-N 1 2 378.502 2.230 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](OCC(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822557017 607091203 /nfs/dbraw/zinc/09/12/03/607091203.db2.gz FGAYIISSELLCTO-CYBMUJFWSA-N 1 2 378.502 2.230 20 0 GEADLO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000824148034 607812603 /nfs/dbraw/zinc/81/26/03/607812603.db2.gz KRSGEUZDAMUCOY-CQSZACIVSA-N 1 2 395.471 2.219 20 0 GEADLO C[C@@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825012288 607828649 /nfs/dbraw/zinc/82/86/49/607828649.db2.gz GDAQUANGUMFNQZ-CQSZACIVSA-N 1 2 383.477 2.087 20 0 GEADLO C[C@@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825012288 607828650 /nfs/dbraw/zinc/82/86/50/607828650.db2.gz GDAQUANGUMFNQZ-CQSZACIVSA-N 1 2 383.477 2.087 20 0 GEADLO CCOCC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2Br)C[C@H]1C ZINC000825599850 607990182 /nfs/dbraw/zinc/99/01/82/607990182.db2.gz SNABBDUJQFJAPY-GFCCVEGCSA-N 1 2 395.305 2.176 20 0 GEADLO CCOCC[N@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2Br)C[C@H]1C ZINC000825599850 607990183 /nfs/dbraw/zinc/99/01/83/607990183.db2.gz SNABBDUJQFJAPY-GFCCVEGCSA-N 1 2 395.305 2.176 20 0 GEADLO CC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C[C@@H]1O ZINC000825210369 608017678 /nfs/dbraw/zinc/01/76/78/608017678.db2.gz GTWZWDYAKYQODU-XPTSAGLGSA-N 1 2 376.367 2.223 20 0 GEADLO CC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C[C@H]1O ZINC000825210364 608017694 /nfs/dbraw/zinc/01/76/94/608017694.db2.gz GTWZWDYAKYQODU-LKFCYVNXSA-N 1 2 376.367 2.223 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000826183483 608065365 /nfs/dbraw/zinc/06/53/65/608065365.db2.gz QLASWROPXSSAMF-CYBMUJFWSA-N 1 2 388.472 2.317 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000826183483 608065366 /nfs/dbraw/zinc/06/53/66/608065366.db2.gz QLASWROPXSSAMF-CYBMUJFWSA-N 1 2 388.472 2.317 20 0 GEADLO COc1ccc(OCC[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826211543 608068774 /nfs/dbraw/zinc/06/87/74/608068774.db2.gz JCCWDQUBXCIHAX-LJQANCHMSA-N 1 2 381.436 2.328 20 0 GEADLO COc1ccc(OCC[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826211543 608068775 /nfs/dbraw/zinc/06/87/75/608068775.db2.gz JCCWDQUBXCIHAX-LJQANCHMSA-N 1 2 381.436 2.328 20 0 GEADLO COc1ccc(Br)cc1CN(C)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000446204403 649973240 /nfs/dbraw/zinc/97/32/40/649973240.db2.gz DEFJGSMSFITSIG-UHFFFAOYSA-N 1 2 379.258 2.099 20 0 GEADLO C[C@@H](Cn1ncc2ccccc2c1=O)Nc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000824464078 608124006 /nfs/dbraw/zinc/12/40/06/608124006.db2.gz DFMQOJKJFAXBFP-ZDUSSCGKSA-N 1 2 398.430 2.047 20 0 GEADLO CCc1cnc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000825733587 608133510 /nfs/dbraw/zinc/13/35/10/608133510.db2.gz DYOCTNPELWZBHK-OAHLLOKOSA-N 1 2 383.481 2.171 20 0 GEADLO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825428082 608167586 /nfs/dbraw/zinc/16/75/86/608167586.db2.gz BAJBQERMIZWFSP-LLVKDONJSA-N 1 2 389.485 2.425 20 0 GEADLO CC[N@@H+](CCc1nccs1)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825428082 608167587 /nfs/dbraw/zinc/16/75/87/608167587.db2.gz BAJBQERMIZWFSP-LLVKDONJSA-N 1 2 389.485 2.425 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000826182883 608256651 /nfs/dbraw/zinc/25/66/51/608256651.db2.gz XELNALUCBUEUDK-CQSZACIVSA-N 1 2 380.456 2.250 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000826182883 608256652 /nfs/dbraw/zinc/25/66/52/608256652.db2.gz XELNALUCBUEUDK-CQSZACIVSA-N 1 2 380.456 2.250 20 0 GEADLO c1ccc(-c2nn[nH]n2)c(OCC[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000826519541 608258401 /nfs/dbraw/zinc/25/84/01/608258401.db2.gz CHVZXYMAABELAF-CQSZACIVSA-N 1 2 380.456 2.121 20 0 GEADLO c1ccc(-c2nn[nH]n2)c(OCC[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000826519541 608258404 /nfs/dbraw/zinc/25/84/04/608258404.db2.gz CHVZXYMAABELAF-CQSZACIVSA-N 1 2 380.456 2.121 20 0 GEADLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000826333902 608266876 /nfs/dbraw/zinc/26/68/76/608266876.db2.gz YYLTYRZQDOCTOR-SFHVURJKSA-N 1 2 397.483 2.059 20 0 GEADLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000826333902 608266878 /nfs/dbraw/zinc/26/68/78/608266878.db2.gz YYLTYRZQDOCTOR-SFHVURJKSA-N 1 2 397.483 2.059 20 0 GEADLO Cc1ccc([C@H](CNc2nc(C)ccc2-c2nn[nH]n2)[NH+]2CCOCC2)s1 ZINC000826275634 608285581 /nfs/dbraw/zinc/28/55/81/608285581.db2.gz FSRIGXCUYDFAPP-HNNXBMFYSA-N 1 2 385.497 2.425 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826168076 608373379 /nfs/dbraw/zinc/37/33/79/608373379.db2.gz BAVRQMWOGOGUPJ-YOEHRIQHSA-N 1 2 387.390 2.461 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826168076 608373381 /nfs/dbraw/zinc/37/33/81/608373381.db2.gz BAVRQMWOGOGUPJ-YOEHRIQHSA-N 1 2 387.390 2.461 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826168073 608373735 /nfs/dbraw/zinc/37/37/35/608373735.db2.gz BAVRQMWOGOGUPJ-PBHICJAKSA-N 1 2 387.390 2.461 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826168073 608373737 /nfs/dbraw/zinc/37/37/37/608373737.db2.gz BAVRQMWOGOGUPJ-PBHICJAKSA-N 1 2 387.390 2.461 20 0 GEADLO COc1ccc(C[N@H+](CCO)Cc2cccc(-c3nn[nH]n3)c2F)c(OC)c1 ZINC000826193925 608394212 /nfs/dbraw/zinc/39/42/12/608394212.db2.gz UWTONAFKRNHBQP-UHFFFAOYSA-N 1 2 387.415 2.018 20 0 GEADLO COc1ccc(C[N@@H+](CCO)Cc2cccc(-c3nn[nH]n3)c2F)c(OC)c1 ZINC000826193925 608394214 /nfs/dbraw/zinc/39/42/14/608394214.db2.gz UWTONAFKRNHBQP-UHFFFAOYSA-N 1 2 387.415 2.018 20 0 GEADLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)c1ccc2c(c1)OCO2 ZINC000824632510 608430312 /nfs/dbraw/zinc/43/03/12/608430312.db2.gz APZNHZJFOBQWRH-LLVKDONJSA-N 1 2 391.391 2.496 20 0 GEADLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(OC(F)F)c1 ZINC000824530197 608443902 /nfs/dbraw/zinc/44/39/02/608443902.db2.gz JUSKABPJEVWLJH-MEBBXXQBSA-N 1 2 388.378 2.345 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(-c2nn[nH]n2)c1C ZINC000826342100 608454060 /nfs/dbraw/zinc/45/40/60/608454060.db2.gz YDASXSFXKVJQCP-WHOFXGATSA-N 1 2 398.471 2.183 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(-c2nn[nH]n2)c1C ZINC000826342100 608454061 /nfs/dbraw/zinc/45/40/61/608454061.db2.gz YDASXSFXKVJQCP-WHOFXGATSA-N 1 2 398.471 2.183 20 0 GEADLO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)Cc1cccnc1 ZINC000824051816 608454610 /nfs/dbraw/zinc/45/46/10/608454610.db2.gz FUMDZPDFTNNRCW-NSHDSACASA-N 1 2 383.481 2.271 20 0 GEADLO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+](C)Cc1cccnc1 ZINC000824051816 608454611 /nfs/dbraw/zinc/45/46/11/608454611.db2.gz FUMDZPDFTNNRCW-NSHDSACASA-N 1 2 383.481 2.271 20 0 GEADLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000825394415 608498095 /nfs/dbraw/zinc/49/80/95/608498095.db2.gz CJLIWFYVNPFMAN-UHFFFAOYSA-N 1 2 399.480 2.347 20 0 GEADLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000825394415 608498096 /nfs/dbraw/zinc/49/80/96/608498096.db2.gz CJLIWFYVNPFMAN-UHFFFAOYSA-N 1 2 399.480 2.347 20 0 GEADLO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826473789 608626610 /nfs/dbraw/zinc/62/66/10/608626610.db2.gz ODOGJNQMZZZQGZ-UHFFFAOYSA-N 1 2 386.843 2.461 20 0 GEADLO CCc1nc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)cs1 ZINC000825744454 608633470 /nfs/dbraw/zinc/63/34/70/608633470.db2.gz ALEPNHKQTNJYFR-UHFFFAOYSA-N 1 2 375.527 2.265 20 0 GEADLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825176303 608677645 /nfs/dbraw/zinc/67/76/45/608677645.db2.gz OEDWTQBLYIUNLU-LJQANCHMSA-N 1 2 392.463 2.156 20 0 GEADLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825176303 608677648 /nfs/dbraw/zinc/67/76/48/608677648.db2.gz OEDWTQBLYIUNLU-LJQANCHMSA-N 1 2 392.463 2.156 20 0 GEADLO CC(C)c1noc([C@H](C)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)n1 ZINC000824364742 608685294 /nfs/dbraw/zinc/68/52/94/608685294.db2.gz SLKRPQKYMRTXLC-LBPRGKRZSA-N 1 2 388.501 2.313 20 0 GEADLO COC[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCO1 ZINC000826153327 608714470 /nfs/dbraw/zinc/71/44/70/608714470.db2.gz JRCBCYLKKSGYJD-LJQANCHMSA-N 1 2 395.463 2.293 20 0 GEADLO COC[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CCO1 ZINC000826153327 608714474 /nfs/dbraw/zinc/71/44/74/608714474.db2.gz JRCBCYLKKSGYJD-LJQANCHMSA-N 1 2 395.463 2.293 20 0 GEADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824764489 608750130 /nfs/dbraw/zinc/75/01/30/608750130.db2.gz WPDPYPJJPMWENZ-OIJAAMDRSA-N 1 2 395.492 2.445 20 0 GEADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824764489 608750132 /nfs/dbraw/zinc/75/01/32/608750132.db2.gz WPDPYPJJPMWENZ-OIJAAMDRSA-N 1 2 395.492 2.445 20 0 GEADLO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824616913 609325156 /nfs/dbraw/zinc/32/51/56/609325156.db2.gz AZZAPSCQKWGWAB-AWEZNQCLSA-N 1 2 396.474 2.003 20 0 GEADLO C[C@H]1CCC[C@@H]1C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000824928472 609499754 /nfs/dbraw/zinc/49/97/54/609499754.db2.gz TUURVUAJICNJSW-GJZGRUSLSA-N 1 2 391.479 2.500 20 0 GEADLO C[C@H](O)[C@@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000824689375 609568945 /nfs/dbraw/zinc/56/89/45/609568945.db2.gz LJRAMAXMRBBYKD-VHSXEESVSA-N 1 2 376.367 2.223 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000448480832 650016031 /nfs/dbraw/zinc/01/60/31/650016031.db2.gz FBHLMFRNYIAFCW-VIFPVBQESA-N 1 2 385.649 2.442 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@H](C)C1 ZINC000449028721 650030558 /nfs/dbraw/zinc/03/05/58/650030558.db2.gz MNRGBBBICVPOKA-OLZOCXBDSA-N 1 2 385.302 2.431 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CCOC[C@H](C)C1 ZINC000449028721 650030561 /nfs/dbraw/zinc/03/05/61/650030561.db2.gz MNRGBBBICVPOKA-OLZOCXBDSA-N 1 2 385.302 2.431 20 0 GEADLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000449744128 650048595 /nfs/dbraw/zinc/04/85/95/650048595.db2.gz DZMFGZMVUFNWHZ-LBPRGKRZSA-N 1 2 384.274 2.413 20 0 GEADLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000449744128 650048598 /nfs/dbraw/zinc/04/85/98/650048598.db2.gz DZMFGZMVUFNWHZ-LBPRGKRZSA-N 1 2 384.274 2.413 20 0 GEADLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1cccc(O)c1Cl ZINC000449752924 650049001 /nfs/dbraw/zinc/04/90/01/650049001.db2.gz HGANJCLTWGPRGI-UHFFFAOYSA-N 1 2 388.848 2.343 20 0 GEADLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1cccc(O)c1Cl ZINC000449752924 650049002 /nfs/dbraw/zinc/04/90/02/650049002.db2.gz HGANJCLTWGPRGI-UHFFFAOYSA-N 1 2 388.848 2.343 20 0 GEADLO CC[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@@H+]1C[C@H](C)O ZINC000450024909 650058342 /nfs/dbraw/zinc/05/83/42/650058342.db2.gz IQALLVWARPVZIO-QWRGUYRKSA-N 1 2 389.265 2.211 20 0 GEADLO CC[C@H]1CN(C(=O)c2cc(Br)c(F)cc2O)CC[N@H+]1C[C@H](C)O ZINC000450024909 650058344 /nfs/dbraw/zinc/05/83/44/650058344.db2.gz IQALLVWARPVZIO-QWRGUYRKSA-N 1 2 389.265 2.211 20 0 GEADLO C[C@@H](O)C(=O)N1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450408621 650064765 /nfs/dbraw/zinc/06/47/65/650064765.db2.gz JEXYRGQINWJSHH-SNVBAGLBSA-N 1 2 382.233 2.166 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccsc2Br)[C@H](C)C1 ZINC000450403708 650064782 /nfs/dbraw/zinc/06/47/82/650064782.db2.gz MPECQZWODMFAEU-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccsc2Br)[C@H](C)C1 ZINC000450403708 650064783 /nfs/dbraw/zinc/06/47/83/650064783.db2.gz MPECQZWODMFAEU-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)c2ccc(I)cn2)C1 ZINC000450462013 650065517 /nfs/dbraw/zinc/06/55/17/650065517.db2.gz DJOFCHPOEJQBAE-CQSZACIVSA-N 1 2 387.265 2.233 20 0 GEADLO C[N@H+]1CCO[C@@H](CN(CC2CC2)c2ccc(I)cn2)C1 ZINC000450462013 650065518 /nfs/dbraw/zinc/06/55/18/650065518.db2.gz DJOFCHPOEJQBAE-CQSZACIVSA-N 1 2 387.265 2.233 20 0 GEADLO COCC[N@H+](Cc1cc(Br)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000450627552 650068345 /nfs/dbraw/zinc/06/83/45/650068345.db2.gz YTDYBMQIYRGAKL-HNNXBMFYSA-N 1 2 376.316 2.393 20 0 GEADLO COCC[N@@H+](Cc1cc(Br)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000450627552 650068346 /nfs/dbraw/zinc/06/83/46/650068346.db2.gz YTDYBMQIYRGAKL-HNNXBMFYSA-N 1 2 376.316 2.393 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(I)cc1F ZINC000450787331 650070429 /nfs/dbraw/zinc/07/04/29/650070429.db2.gz FHBNYEPMRQGLMF-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO CC[C@@H](C)[NH+]1CCN(c2c(F)cc(S(N)(=O)=O)cc2Br)CC1 ZINC000450853476 650073185 /nfs/dbraw/zinc/07/31/85/650073185.db2.gz BTAKIZVSXBNLHW-SNVBAGLBSA-N 1 2 394.310 2.156 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)CS(=O)(=O)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000450950410 650076287 /nfs/dbraw/zinc/07/62/87/650076287.db2.gz VSSPTLQLJCATBE-AWEZNQCLSA-N 1 2 378.416 2.002 20 0 GEADLO Cc1sc(Br)cc1S(=O)(=O)Nc1ccnn1CC[NH+](C)C ZINC000451046414 650081529 /nfs/dbraw/zinc/08/15/29/650081529.db2.gz PGDFKGGHQFKHJA-UHFFFAOYSA-N 1 2 393.332 2.378 20 0 GEADLO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000451060185 650082826 /nfs/dbraw/zinc/08/28/26/650082826.db2.gz OWUSDIRWLYTSGB-AWEZNQCLSA-N 1 2 386.901 2.294 20 0 GEADLO COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000451060185 650082827 /nfs/dbraw/zinc/08/28/27/650082827.db2.gz OWUSDIRWLYTSGB-AWEZNQCLSA-N 1 2 386.901 2.294 20 0 GEADLO COc1cc(C(F)(F)F)cc(S(=O)(=O)NCC[NH+]2CCSCC2)c1 ZINC000451202104 650095947 /nfs/dbraw/zinc/09/59/47/650095947.db2.gz WLVFWYXQPKIJDS-UHFFFAOYSA-N 1 2 384.445 2.041 20 0 GEADLO O=S(=O)(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1sccc1Cl ZINC000451358084 650106827 /nfs/dbraw/zinc/10/68/27/650106827.db2.gz ZSEXCAOFFWXYJU-ZIAGYGMSSA-N 1 2 386.926 2.315 20 0 GEADLO O=S(=O)(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1sccc1Cl ZINC000451358084 650106829 /nfs/dbraw/zinc/10/68/29/650106829.db2.gz ZSEXCAOFFWXYJU-ZIAGYGMSSA-N 1 2 386.926 2.315 20 0 GEADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451575365 650127008 /nfs/dbraw/zinc/12/70/08/650127008.db2.gz XNDXDJJUHUBOEQ-JSGCOSHPSA-N 1 2 398.301 2.099 20 0 GEADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451575365 650127009 /nfs/dbraw/zinc/12/70/09/650127009.db2.gz XNDXDJJUHUBOEQ-JSGCOSHPSA-N 1 2 398.301 2.099 20 0 GEADLO COC(=O)[C@@H]1C[N@H+](Cc2scnc2C)[C@H](C)CN1Cc1scnc1C ZINC000451726557 650136186 /nfs/dbraw/zinc/13/61/86/650136186.db2.gz PAACHYARYGAGAB-RISCZKNCSA-N 1 2 380.539 2.464 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+](Cc2scnc2C)[C@H](C)CN1Cc1scnc1C ZINC000451726557 650136189 /nfs/dbraw/zinc/13/61/89/650136189.db2.gz PAACHYARYGAGAB-RISCZKNCSA-N 1 2 380.539 2.464 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccc(Br)cn1 ZINC000451889462 650150474 /nfs/dbraw/zinc/15/04/74/650150474.db2.gz MITXZPBXWLUDEH-PELKAZGASA-N 1 2 382.180 2.028 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccc(Br)cn1 ZINC000451889462 650150478 /nfs/dbraw/zinc/15/04/78/650150478.db2.gz MITXZPBXWLUDEH-PELKAZGASA-N 1 2 382.180 2.028 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451899596 650151122 /nfs/dbraw/zinc/15/11/22/650151122.db2.gz ZBMHLDIVQCKMRL-IUODEOHRSA-N 1 2 381.416 2.104 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451899596 650151125 /nfs/dbraw/zinc/15/11/25/650151125.db2.gz ZBMHLDIVQCKMRL-IUODEOHRSA-N 1 2 381.416 2.104 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451899441 650151190 /nfs/dbraw/zinc/15/11/90/650151190.db2.gz ZBMHLDIVQCKMRL-DOMZBBRYSA-N 1 2 381.416 2.104 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451899441 650151191 /nfs/dbraw/zinc/15/11/91/650151191.db2.gz ZBMHLDIVQCKMRL-DOMZBBRYSA-N 1 2 381.416 2.104 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1cc(F)cc(F)c1F ZINC000455588173 650308287 /nfs/dbraw/zinc/30/82/87/650308287.db2.gz NYJYTOLDFRGKNT-INIZCTEOSA-N 1 2 375.416 2.433 20 0 GEADLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000455913131 650325561 /nfs/dbraw/zinc/32/55/61/650325561.db2.gz WNVHSZABUIZRDB-LLVKDONJSA-N 1 2 379.258 2.449 20 0 GEADLO C[N@H+]1CCO[C@H](CNC(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000455913131 650325565 /nfs/dbraw/zinc/32/55/65/650325565.db2.gz WNVHSZABUIZRDB-LLVKDONJSA-N 1 2 379.258 2.449 20 0 GEADLO O=C(CCn1cc[nH+]c1)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000456471155 650341389 /nfs/dbraw/zinc/34/13/89/650341389.db2.gz CQAPOXVXJSYMEN-GFCCVEGCSA-N 1 2 384.249 2.142 20 0 GEADLO CNC(=O)C[C@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000456502455 650343473 /nfs/dbraw/zinc/34/34/73/650343473.db2.gz JDRCQHJKYLAXBH-LRDDRELGSA-N 1 2 382.302 2.227 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c1 ZINC000457870352 650387733 /nfs/dbraw/zinc/38/77/33/650387733.db2.gz ZJWUUPSWXDNWJP-NSHDSACASA-N 1 2 381.263 2.439 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)CCNC(=O)Nc2ccc(Br)cc2)c1 ZINC000457856317 650386826 /nfs/dbraw/zinc/38/68/26/650386826.db2.gz LUTNYQATAZYXTP-UHFFFAOYSA-N 1 2 394.273 2.053 20 0 GEADLO C[C@H](NC(=O)NCCc1cccc(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000458356033 650400607 /nfs/dbraw/zinc/40/06/07/650400607.db2.gz YQRQUIVQSKRWOB-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO CC[C@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H](O)C(F)F ZINC000458687143 650407567 /nfs/dbraw/zinc/40/75/67/650407567.db2.gz MLJCRKXTEMWUGO-LSDHHAIUSA-N 1 2 375.847 2.402 20 0 GEADLO CC[C@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H](O)C(F)F ZINC000458687143 650407570 /nfs/dbraw/zinc/40/75/70/650407570.db2.gz MLJCRKXTEMWUGO-LSDHHAIUSA-N 1 2 375.847 2.402 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(Cc2cccc(O)c2Br)CC1 ZINC000459303563 650422088 /nfs/dbraw/zinc/42/20/88/650422088.db2.gz LERZJEZJDISABG-UHFFFAOYSA-N 1 2 384.318 2.141 20 0 GEADLO OC[C@H]1C[N@H+](Cc2cc(Br)ccc2OCc2ccccn2)C[C@H]1O ZINC000459716815 650431373 /nfs/dbraw/zinc/43/13/73/650431373.db2.gz VZGXPDMOKYJMAS-RHSMWYFYSA-N 1 2 393.281 2.208 20 0 GEADLO OC[C@H]1C[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)C[C@H]1O ZINC000459716815 650431375 /nfs/dbraw/zinc/43/13/75/650431375.db2.gz VZGXPDMOKYJMAS-RHSMWYFYSA-N 1 2 393.281 2.208 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)N2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000459882542 650434728 /nfs/dbraw/zinc/43/47/28/650434728.db2.gz DAGTYXZHZRHGOV-MRXNPFEDSA-N 1 2 375.519 2.058 20 0 GEADLO CN(CC(=O)Nc1ccn2cc[nH+]c2c1)C(=O)c1ccc(Br)o1 ZINC000506886353 650451451 /nfs/dbraw/zinc/45/14/51/650451451.db2.gz UTJLAIRYOPHQNO-UHFFFAOYSA-N 1 2 377.198 2.401 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cccc(I)c1 ZINC000507965836 650470867 /nfs/dbraw/zinc/47/08/67/650470867.db2.gz OQXVCXOADJCSAH-GHMZBOCLSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cccc(I)c1 ZINC000507965836 650470869 /nfs/dbraw/zinc/47/08/69/650470869.db2.gz OQXVCXOADJCSAH-GHMZBOCLSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(I)cc1 ZINC000507966439 650470905 /nfs/dbraw/zinc/47/09/05/650470905.db2.gz MUQAHQVRXVZHOT-WDEREUQCSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(I)cc1 ZINC000507966439 650470907 /nfs/dbraw/zinc/47/09/07/650470907.db2.gz MUQAHQVRXVZHOT-WDEREUQCSA-N 1 2 394.278 2.004 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000507892697 650469292 /nfs/dbraw/zinc/46/92/92/650469292.db2.gz WOZZMBNGVMPCDI-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000507892697 650469294 /nfs/dbraw/zinc/46/92/94/650469294.db2.gz WOZZMBNGVMPCDI-GHMZBOCLSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000507892700 650469360 /nfs/dbraw/zinc/46/93/60/650469360.db2.gz WOZZMBNGVMPCDI-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000507892700 650469362 /nfs/dbraw/zinc/46/93/62/650469362.db2.gz WOZZMBNGVMPCDI-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2sc(C(F)(F)F)nc2C)[C@@H](C)C1 ZINC000462586206 650485703 /nfs/dbraw/zinc/48/57/03/650485703.db2.gz AGAIKISPPYDFMV-VIFPVBQESA-N 1 2 379.404 2.180 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2sc(C(F)(F)F)nc2C)[C@@H](C)C1 ZINC000462586206 650485706 /nfs/dbraw/zinc/48/57/06/650485706.db2.gz AGAIKISPPYDFMV-VIFPVBQESA-N 1 2 379.404 2.180 20 0 GEADLO COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000462871248 650491861 /nfs/dbraw/zinc/49/18/61/650491861.db2.gz CJELSUWYCNNTQU-NSHDSACASA-N 1 2 395.257 2.106 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000509480276 650494367 /nfs/dbraw/zinc/49/43/67/650494367.db2.gz OKVHDBQMTFDARE-UHFFFAOYSA-N 1 2 376.214 2.471 20 0 GEADLO Cc1cc(N2CCC[C@H]([NH2+]Cc3cn(C)nn3)C2=O)ccc1Br ZINC000463408036 650495217 /nfs/dbraw/zinc/49/52/17/650495217.db2.gz AKJMXVXKWJGKHF-HNNXBMFYSA-N 1 2 378.274 2.171 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)[C@H](C)CCOC)CC2)cs1 ZINC000464418576 650495878 /nfs/dbraw/zinc/49/58/78/650495878.db2.gz SNHMSOOYWVPOQO-CQSZACIVSA-N 1 2 389.587 2.262 20 0 GEADLO C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C1(S(C)(=O)=O)CC1 ZINC000510262354 650509626 /nfs/dbraw/zinc/50/96/26/650509626.db2.gz SVPJYICJTBYPAK-WFASDCNBSA-N 1 2 387.933 2.208 20 0 GEADLO Cc1cc(Br)ccc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000473990469 650526396 /nfs/dbraw/zinc/52/63/96/650526396.db2.gz VRTPGGUTIJRSIB-INIZCTEOSA-N 1 2 397.313 2.321 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2Br)[C@@H](C)C1 ZINC000511225694 650529744 /nfs/dbraw/zinc/52/97/44/650529744.db2.gz VEAOFXUYIZIXAE-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2Br)[C@@H](C)C1 ZINC000511225694 650529746 /nfs/dbraw/zinc/52/97/46/650529746.db2.gz VEAOFXUYIZIXAE-NSHDSACASA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)OC)[C@@H](C)C1 ZINC000511240666 650530361 /nfs/dbraw/zinc/53/03/61/650530361.db2.gz MAKHNYDLGXNGKF-LBPRGKRZSA-N 1 2 382.507 2.403 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)OC)[C@@H](C)C1 ZINC000511240666 650530362 /nfs/dbraw/zinc/53/03/62/650530362.db2.gz MAKHNYDLGXNGKF-LBPRGKRZSA-N 1 2 382.507 2.403 20 0 GEADLO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)cc1Cl ZINC000475402138 650532765 /nfs/dbraw/zinc/53/27/65/650532765.db2.gz ZPHFINPMLZJXJJ-UHFFFAOYSA-N 1 2 378.841 2.425 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)[C@@H](C)C1 ZINC000511310962 650533191 /nfs/dbraw/zinc/53/31/91/650533191.db2.gz YOGHCVFJUSMGED-UONOGXRCSA-N 1 2 390.933 2.468 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)[C@@H](C)C1 ZINC000511310962 650533193 /nfs/dbraw/zinc/53/31/93/650533193.db2.gz YOGHCVFJUSMGED-UONOGXRCSA-N 1 2 390.933 2.468 20 0 GEADLO COc1ccc(OCc2nc(C[NH2+]CC3(S(C)(=O)=O)CC3)cs2)cc1 ZINC000475429928 650533341 /nfs/dbraw/zinc/53/33/41/650533341.db2.gz QZPKYEHXHHWJLL-UHFFFAOYSA-N 1 2 382.507 2.398 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@H](C)C1 ZINC000511341090 650534352 /nfs/dbraw/zinc/53/43/52/650534352.db2.gz CIYBFPRJGQKYQT-SECBINFHSA-N 1 2 383.258 2.442 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@H](C)C1 ZINC000511341090 650534356 /nfs/dbraw/zinc/53/43/56/650534356.db2.gz CIYBFPRJGQKYQT-SECBINFHSA-N 1 2 383.258 2.442 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000475541790 650535319 /nfs/dbraw/zinc/53/53/19/650535319.db2.gz RXCRFLIXXUXWIM-UHFFFAOYSA-N 1 2 390.933 2.470 20 0 GEADLO CC[C@@H]1CN(C[C@H](C)C[N@@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@]1=O ZINC000512414157 650547706 /nfs/dbraw/zinc/54/77/06/650547706.db2.gz CCNXYEMHBXTZTH-NSYJXTMMSA-N 1 2 376.632 2.085 20 0 GEADLO CC[C@@H]1CN(C[C@H](C)C[N@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@]1=O ZINC000512414157 650547709 /nfs/dbraw/zinc/54/77/09/650547709.db2.gz CCNXYEMHBXTZTH-NSYJXTMMSA-N 1 2 376.632 2.085 20 0 GEADLO CC[C@@H]1CN(C[C@@H](C)C[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@]1=O ZINC000512414157 650547711 /nfs/dbraw/zinc/54/77/11/650547711.db2.gz CCNXYEMHBXTZTH-NSYJXTMMSA-N 1 2 376.632 2.085 20 0 GEADLO CC[C@@H]1CN(C[C@@H](C)C[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@]1=O ZINC000512414157 650547715 /nfs/dbraw/zinc/54/77/15/650547715.db2.gz CCNXYEMHBXTZTH-NSYJXTMMSA-N 1 2 376.632 2.085 20 0 GEADLO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476556985 650554029 /nfs/dbraw/zinc/55/40/29/650554029.db2.gz XKBILFIUDUPQIA-GFCCVEGCSA-N 1 2 382.511 2.014 20 0 GEADLO O=S(=O)(NCC[NH2+]Cc1c(F)ccc(O)c1F)c1ccc(F)cc1F ZINC000513497051 650563839 /nfs/dbraw/zinc/56/38/39/650563839.db2.gz PUXRWZLPIFRKNP-UHFFFAOYSA-N 1 2 378.347 2.017 20 0 GEADLO COC[C@](C)(NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C(F)(F)F ZINC000479129479 650596793 /nfs/dbraw/zinc/59/67/93/650596793.db2.gz LUGPMKABGWBFSE-AWEZNQCLSA-N 1 2 377.388 2.177 20 0 GEADLO CCn1c[nH+]cc1CNc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000517020091 650601687 /nfs/dbraw/zinc/60/16/87/650601687.db2.gz ANBIVVPNKWRCAB-UHFFFAOYSA-N 1 2 384.889 2.189 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)CCc1scnc1C)[NH+]1CCOCC1 ZINC000517022293 650601910 /nfs/dbraw/zinc/60/19/10/650601910.db2.gz FDPGIPUVZLAURO-MRXNPFEDSA-N 1 2 389.587 2.050 20 0 GEADLO C[C@]([NH3+])(C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)cc1 ZINC000518529638 650605701 /nfs/dbraw/zinc/60/57/01/650605701.db2.gz PYNQFGURVSYPRC-MGPLVRAMSA-N 1 2 395.257 2.118 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c2cc(Br)ccc21 ZINC000480192726 650617415 /nfs/dbraw/zinc/61/74/15/650617415.db2.gz FTLXMJRAPBPQPK-GXSJLCMTSA-N 1 2 388.205 2.180 20 0 GEADLO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000521500096 650618257 /nfs/dbraw/zinc/61/82/57/650618257.db2.gz YPWMXIVRDQOCHR-CQSZACIVSA-N 1 2 381.885 2.463 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000523059304 650631198 /nfs/dbraw/zinc/63/11/98/650631198.db2.gz XVUGWIBAWKAURY-LBPRGKRZSA-N 1 2 381.270 2.062 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000523059304 650631203 /nfs/dbraw/zinc/63/12/03/650631203.db2.gz XVUGWIBAWKAURY-LBPRGKRZSA-N 1 2 381.270 2.062 20 0 GEADLO Cn1cc(C[NH+]2CCN(Cc3nc4cc(Br)ccc4[nH]3)CC2)cn1 ZINC000480799185 650632851 /nfs/dbraw/zinc/63/28/51/650632851.db2.gz ZWTOXEFAKUXVAK-UHFFFAOYSA-N 1 2 389.301 2.377 20 0 GEADLO CCS[C@H]1CCCC[N@H+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000480897120 650637059 /nfs/dbraw/zinc/63/70/59/650637059.db2.gz XPHJKALAXBVMTL-IRXDYDNUSA-N 1 2 390.615 2.266 20 0 GEADLO CCS[C@H]1CCCC[N@@H+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000480897120 650637060 /nfs/dbraw/zinc/63/70/60/650637060.db2.gz XPHJKALAXBVMTL-IRXDYDNUSA-N 1 2 390.615 2.266 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)NCCOc1cccc(Cl)c1 ZINC000524755633 650645875 /nfs/dbraw/zinc/64/58/75/650645875.db2.gz CMHVYDRAWLHFTL-HIFRSBDPSA-N 1 2 380.794 2.223 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)NCCOc1cccc(Cl)c1 ZINC000524755633 650645877 /nfs/dbraw/zinc/64/58/77/650645877.db2.gz CMHVYDRAWLHFTL-HIFRSBDPSA-N 1 2 380.794 2.223 20 0 GEADLO O=C(CCSc1ccc(Cl)cc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000524824371 650646924 /nfs/dbraw/zinc/64/69/24/650646924.db2.gz PPLQMEQGUYICQC-UHFFFAOYSA-N 1 2 379.917 2.258 20 0 GEADLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000481853731 650654989 /nfs/dbraw/zinc/65/49/89/650654989.db2.gz YGJMHDYNSPBSJQ-OLZOCXBDSA-N 1 2 388.559 2.272 20 0 GEADLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000481853731 650654990 /nfs/dbraw/zinc/65/49/90/650654990.db2.gz YGJMHDYNSPBSJQ-OLZOCXBDSA-N 1 2 388.559 2.272 20 0 GEADLO Cc1nccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1Br ZINC000525847310 650659422 /nfs/dbraw/zinc/65/94/22/650659422.db2.gz ZWIRDZFGZBMSSW-GFCCVEGCSA-N 1 2 376.258 2.370 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000525982300 650662150 /nfs/dbraw/zinc/66/21/50/650662150.db2.gz CWLNDYRJUDUBFQ-QJPTWQEYSA-N 1 2 388.331 2.386 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000525982300 650662151 /nfs/dbraw/zinc/66/21/51/650662151.db2.gz CWLNDYRJUDUBFQ-QJPTWQEYSA-N 1 2 388.331 2.386 20 0 GEADLO Cc1c(Br)cccc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000483380871 650677583 /nfs/dbraw/zinc/67/75/83/650677583.db2.gz OWUSJXCQDUUGAF-HNNXBMFYSA-N 1 2 397.313 2.321 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000528356026 650690225 /nfs/dbraw/zinc/69/02/25/650690225.db2.gz CZJVKZJRNUAEQZ-UHFFFAOYSA-N 1 2 382.404 2.309 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000528356026 650690227 /nfs/dbraw/zinc/69/02/27/650690227.db2.gz CZJVKZJRNUAEQZ-UHFFFAOYSA-N 1 2 382.404 2.309 20 0 GEADLO Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c(Br)c1 ZINC000529750005 650706045 /nfs/dbraw/zinc/70/60/45/650706045.db2.gz CEJDDWXHGHRLIE-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c(Br)c1 ZINC000529750005 650706049 /nfs/dbraw/zinc/70/60/49/650706049.db2.gz CEJDDWXHGHRLIE-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO Cn1cc([C@@H]2C[N@H+](Cc3ncc(Cl)cc3Br)C[C@H]2CO)cn1 ZINC000529553595 650704163 /nfs/dbraw/zinc/70/41/63/650704163.db2.gz IDVUNUZSEJPVCW-AAEUAGOBSA-N 1 2 385.693 2.439 20 0 GEADLO Cn1cc([C@@H]2C[N@@H+](Cc3ncc(Cl)cc3Br)C[C@H]2CO)cn1 ZINC000529553595 650704165 /nfs/dbraw/zinc/70/41/65/650704165.db2.gz IDVUNUZSEJPVCW-AAEUAGOBSA-N 1 2 385.693 2.439 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000529750225 650706156 /nfs/dbraw/zinc/70/61/56/650706156.db2.gz CKSSAZYUUBNHTE-QGZVFWFLSA-N 1 2 391.270 2.478 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000529750225 650706159 /nfs/dbraw/zinc/70/61/59/650706159.db2.gz CKSSAZYUUBNHTE-QGZVFWFLSA-N 1 2 391.270 2.478 20 0 GEADLO Cc1cccc(Br)c1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000486619172 650716290 /nfs/dbraw/zinc/71/62/90/650716290.db2.gz YSIYPBDWJRNGOF-OAHLLOKOSA-N 1 2 397.313 2.321 20 0 GEADLO COc1cc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)ccc1Br ZINC000530846006 650729396 /nfs/dbraw/zinc/72/93/96/650729396.db2.gz QBTXRTUBVJLUJG-UHFFFAOYSA-N 1 2 395.257 2.189 20 0 GEADLO CC[NH+](CC)[C@@H](CNS(=O)(=O)C[C@@H](C)C(=O)OC)c1ccccc1Cl ZINC000487468405 650734262 /nfs/dbraw/zinc/73/42/62/650734262.db2.gz XBJPIXIWWBOTAJ-CJNGLKHVSA-N 1 2 390.933 2.451 20 0 GEADLO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)NC(=O)NCC(F)(F)F ZINC000015521333 642381451 /nfs/dbraw/zinc/38/14/51/642381451.db2.gz YAKAFPXPBSWPOV-LLVKDONJSA-N 1 2 379.404 2.117 20 0 GEADLO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)NC(=O)NCC(F)(F)F ZINC000015521333 642381460 /nfs/dbraw/zinc/38/14/60/642381460.db2.gz YAKAFPXPBSWPOV-LLVKDONJSA-N 1 2 379.404 2.117 20 0 GEADLO Cc1ccc(NC(=O)C[NH+]2C[C@@H](C)S[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000532578815 650750303 /nfs/dbraw/zinc/75/03/03/650750303.db2.gz VDELMJJOWWJJDE-ZIAGYGMSSA-N 1 2 385.555 2.010 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000532578807 650750518 /nfs/dbraw/zinc/75/05/18/650750518.db2.gz VDELMJJOWWJJDE-OKILXGFUSA-N 1 2 385.555 2.010 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000532578807 650750523 /nfs/dbraw/zinc/75/05/23/650750523.db2.gz VDELMJJOWWJJDE-OKILXGFUSA-N 1 2 385.555 2.010 20 0 GEADLO O=C(C[NH+]1CCC(C(=O)N2CCCC2)CC1)Nc1ccc(Br)cn1 ZINC000029160996 642458849 /nfs/dbraw/zinc/45/88/49/642458849.db2.gz JDNHXWGJKHJNTG-UHFFFAOYSA-N 1 2 395.301 2.117 20 0 GEADLO CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000533088911 650756675 /nfs/dbraw/zinc/75/66/75/650756675.db2.gz BYNZZVVYWJMBKC-ARFHVFGLSA-N 1 2 387.615 2.266 20 0 GEADLO CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000533088912 650756698 /nfs/dbraw/zinc/75/66/98/650756698.db2.gz BYNZZVVYWJMBKC-HRCADAONSA-N 1 2 387.615 2.266 20 0 GEADLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)c1ccsc1 ZINC000030435114 642473948 /nfs/dbraw/zinc/47/39/48/642473948.db2.gz UIDSNBMVLKZJOR-LBPRGKRZSA-N 1 2 376.935 2.496 20 0 GEADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000533116635 650757667 /nfs/dbraw/zinc/75/76/67/650757667.db2.gz XTHUNGZCUFULNL-MRXNPFEDSA-N 1 2 383.279 2.449 20 0 GEADLO C[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F)[NH+]1CCSCC1 ZINC000532759414 650752638 /nfs/dbraw/zinc/75/26/38/650752638.db2.gz HNRQNLDOYQXHCG-SWLSCSKDSA-N 1 2 383.514 2.103 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)cc1Br ZINC000037401577 642513066 /nfs/dbraw/zinc/51/30/66/642513066.db2.gz ZLMJCBMFPTZRRI-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO CCCNS(=O)(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000489685171 650761632 /nfs/dbraw/zinc/76/16/32/650761632.db2.gz VZFHWJQPBHTQRL-UHFFFAOYSA-N 1 2 380.341 2.398 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000533547728 650761947 /nfs/dbraw/zinc/76/19/47/650761947.db2.gz JFEATGXKOGZZOR-WFASDCNBSA-N 1 2 392.253 2.239 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000489817724 650764029 /nfs/dbraw/zinc/76/40/29/650764029.db2.gz MGTMUYBYHQHQSL-MRXNPFEDSA-N 1 2 388.917 2.477 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000489817724 650764030 /nfs/dbraw/zinc/76/40/30/650764030.db2.gz MGTMUYBYHQHQSL-MRXNPFEDSA-N 1 2 388.917 2.477 20 0 GEADLO COc1cc(F)c(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000045809505 642598218 /nfs/dbraw/zinc/59/82/18/642598218.db2.gz AQXNJEMGKBSNLA-ZDUSSCGKSA-N 1 2 388.486 2.486 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2SC)CC1 ZINC000490196867 650769949 /nfs/dbraw/zinc/76/99/49/650769949.db2.gz AQUXMKBIEDTLSZ-UHFFFAOYSA-N 1 2 385.917 2.181 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCCOc1ccccc1Br ZINC000048221394 642646961 /nfs/dbraw/zinc/64/69/61/642646961.db2.gz AOFIGCGTEPLBQI-AWEZNQCLSA-N 1 2 385.302 2.445 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000534635930 650779060 /nfs/dbraw/zinc/77/90/60/650779060.db2.gz NRCRRIODXQKSJX-LLVKDONJSA-N 1 2 375.230 2.045 20 0 GEADLO Cc1nc(C)c(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000053907841 642743140 /nfs/dbraw/zinc/74/31/40/642743140.db2.gz NGTJENNCODWIPU-UHFFFAOYSA-N 1 2 379.507 2.323 20 0 GEADLO CC(C)(CNC(=O)NCc1ccc(F)cc1Br)[NH+]1CCOCC1 ZINC000054755720 642757963 /nfs/dbraw/zinc/75/79/63/642757963.db2.gz LVSXNXWOWJYPCM-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CCC[N@H+](CC(=O)N(C)C)CC(=O)N(C)Cc1ccccc1Br ZINC000056510868 642794859 /nfs/dbraw/zinc/79/48/59/642794859.db2.gz VIUOZTWOVIPJFF-UHFFFAOYSA-N 1 2 384.318 2.208 20 0 GEADLO CCC[N@@H+](CC(=O)N(C)C)CC(=O)N(C)Cc1ccccc1Br ZINC000056510868 642794863 /nfs/dbraw/zinc/79/48/63/642794863.db2.gz VIUOZTWOVIPJFF-UHFFFAOYSA-N 1 2 384.318 2.208 20 0 GEADLO COc1cc(Br)cc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000535031670 650783329 /nfs/dbraw/zinc/78/33/29/650783329.db2.gz AALUYUQMCHJOEE-UHFFFAOYSA-N 1 2 395.257 2.189 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C(C)(C)C1 ZINC000535045133 650783818 /nfs/dbraw/zinc/78/38/18/650783818.db2.gz FQDVZQHUNHQESP-UHFFFAOYSA-N 1 2 378.270 2.457 20 0 GEADLO C[N@H+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C(C)(C)C1 ZINC000535045133 650783822 /nfs/dbraw/zinc/78/38/22/650783822.db2.gz FQDVZQHUNHQESP-UHFFFAOYSA-N 1 2 378.270 2.457 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@@H](C)C[N@@H+]1C ZINC000535085303 650784818 /nfs/dbraw/zinc/78/48/18/650784818.db2.gz FONAUGGHKNGASN-MNOVXSKESA-N 1 2 378.270 2.455 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)[C@@H](C)C[N@H+]1C ZINC000535085303 650784821 /nfs/dbraw/zinc/78/48/21/650784821.db2.gz FONAUGGHKNGASN-MNOVXSKESA-N 1 2 378.270 2.455 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000535085306 650784924 /nfs/dbraw/zinc/78/49/24/650784924.db2.gz FONAUGGHKNGASN-WDEREUQCSA-N 1 2 378.270 2.455 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000535085306 650784926 /nfs/dbraw/zinc/78/49/26/650784926.db2.gz FONAUGGHKNGASN-WDEREUQCSA-N 1 2 378.270 2.455 20 0 GEADLO O=C(NCCc1ccccc1Cl)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000065502787 642880507 /nfs/dbraw/zinc/88/05/07/642880507.db2.gz OXSVCVDSISQLCS-SFHVURJKSA-N 1 2 383.945 2.390 20 0 GEADLO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(F)cn1 ZINC000536162482 650797320 /nfs/dbraw/zinc/79/73/20/650797320.db2.gz DBYAPMIFDWRPKZ-GFCCVEGCSA-N 1 2 385.486 2.154 20 0 GEADLO CCCCC(=O)N1CSC[C@@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536015214 650794201 /nfs/dbraw/zinc/79/42/01/650794201.db2.gz CHGSXGWDACEWIW-MRXNPFEDSA-N 1 2 381.567 2.484 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCCc2ccc(Cl)cc2)CC1 ZINC000068507941 643004506 /nfs/dbraw/zinc/00/45/06/643004506.db2.gz HXHXRCYFWFNOAV-UHFFFAOYSA-N 1 2 386.945 2.288 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000068509025 643004527 /nfs/dbraw/zinc/00/45/27/643004527.db2.gz RIPABGAFIGBNNW-UHFFFAOYSA-N 1 2 379.309 2.232 20 0 GEADLO COc1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c(Cl)c1OC ZINC000092530722 643071807 /nfs/dbraw/zinc/07/18/07/643071807.db2.gz FFWOHGNBGVOSHG-UHFFFAOYSA-N 1 2 376.906 2.213 20 0 GEADLO NC(=O)c1c(F)cc(Br)cc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000092827711 643072978 /nfs/dbraw/zinc/07/29/78/643072978.db2.gz FKJSSNXGJMIUFW-UHFFFAOYSA-N 1 2 393.260 2.404 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000093321122 643076375 /nfs/dbraw/zinc/07/63/75/643076375.db2.gz JLPUBLZCDSOLFX-UHFFFAOYSA-N 1 2 391.331 2.401 20 0 GEADLO O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000094101357 643086632 /nfs/dbraw/zinc/08/66/32/643086632.db2.gz IOTVWAQHQORQRN-SNVBAGLBSA-N 1 2 375.230 2.235 20 0 GEADLO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](CCCN2CCOCC2)CC1 ZINC000097727416 643098837 /nfs/dbraw/zinc/09/88/37/643098837.db2.gz VSPLRXZPVQTYNG-UHFFFAOYSA-N 1 2 386.323 2.474 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000494686517 650814450 /nfs/dbraw/zinc/81/44/50/650814450.db2.gz OIZAORIHAYRBIL-SMDDNHRTSA-N 1 2 384.889 2.465 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000494686517 650814451 /nfs/dbraw/zinc/81/44/51/650814451.db2.gz OIZAORIHAYRBIL-SMDDNHRTSA-N 1 2 384.889 2.465 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000494686516 650814507 /nfs/dbraw/zinc/81/45/07/650814507.db2.gz OIZAORIHAYRBIL-RISCZKNCSA-N 1 2 384.889 2.465 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000494686516 650814509 /nfs/dbraw/zinc/81/45/09/650814509.db2.gz OIZAORIHAYRBIL-RISCZKNCSA-N 1 2 384.889 2.465 20 0 GEADLO CO[C@H]1CCC[N@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000102766697 643137870 /nfs/dbraw/zinc/13/78/70/643137870.db2.gz KHWNUNWZYBMTMM-LBPRGKRZSA-N 1 2 385.511 2.282 20 0 GEADLO CO[C@H]1CCC[N@@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000102766697 643137873 /nfs/dbraw/zinc/13/78/73/643137873.db2.gz KHWNUNWZYBMTMM-LBPRGKRZSA-N 1 2 385.511 2.282 20 0 GEADLO CN(c1cccnn1)C1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000106083414 643219752 /nfs/dbraw/zinc/21/97/52/643219752.db2.gz OUIUZLJJXZZXNW-UHFFFAOYSA-N 1 2 379.917 2.409 20 0 GEADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000537897649 650825381 /nfs/dbraw/zinc/82/53/81/650825381.db2.gz XCMXUQZUPQZCKR-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000537897649 650825383 /nfs/dbraw/zinc/82/53/83/650825383.db2.gz XCMXUQZUPQZCKR-LLVKDONJSA-N 1 2 382.873 2.014 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000108613176 643278559 /nfs/dbraw/zinc/27/85/59/643278559.db2.gz YKHGWZRJFFSGPH-VHSXEESVSA-N 1 2 385.287 2.030 20 0 GEADLO C[C@H](O)C1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000111285639 643331771 /nfs/dbraw/zinc/33/17/71/643331771.db2.gz ZKJSLNSHADWQQN-LBPRGKRZSA-N 1 2 376.316 2.316 20 0 GEADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000111376909 643338821 /nfs/dbraw/zinc/33/88/21/643338821.db2.gz MALFVMXCUNYDSA-MNOVXSKESA-N 1 2 382.511 2.031 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000111788403 643346475 /nfs/dbraw/zinc/34/64/75/643346475.db2.gz QZFRYTVMBIRBHS-CYBMUJFWSA-N 1 2 378.274 2.224 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000538274196 650833514 /nfs/dbraw/zinc/83/35/14/650833514.db2.gz QTSGOLFWIUPVIK-IYBDPMFKSA-N 1 2 396.329 2.491 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000538274196 650833516 /nfs/dbraw/zinc/83/35/16/650833516.db2.gz QTSGOLFWIUPVIK-IYBDPMFKSA-N 1 2 396.329 2.491 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000538274196 650833518 /nfs/dbraw/zinc/83/35/18/650833518.db2.gz QTSGOLFWIUPVIK-IYBDPMFKSA-N 1 2 396.329 2.491 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000538274196 650833521 /nfs/dbraw/zinc/83/35/21/650833521.db2.gz QTSGOLFWIUPVIK-IYBDPMFKSA-N 1 2 396.329 2.491 20 0 GEADLO CCN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)[C@H](C)CS(C)(=O)=O ZINC000112729103 643372129 /nfs/dbraw/zinc/37/21/29/643372129.db2.gz HFYMIOMBIMSJCO-CQSZACIVSA-N 1 2 383.539 2.158 20 0 GEADLO O=C(CCn1cc(Br)ccc1=O)NCCCCNc1cccc[nH+]1 ZINC000112903825 643376862 /nfs/dbraw/zinc/37/68/62/643376862.db2.gz SVZFDNWUKJYDAU-UHFFFAOYSA-N 1 2 393.285 2.404 20 0 GEADLO C[C@H](CNC(=O)Cc1ccc(Cl)cc1Br)[NH+]1CCN(C)CC1 ZINC000113447794 643398600 /nfs/dbraw/zinc/39/86/00/643398600.db2.gz NVIPWNSFQJGBBW-GFCCVEGCSA-N 1 2 388.737 2.397 20 0 GEADLO COC(=O)CC[N@H+](Cc1nnnn1-c1ccccc1Br)C(C)C ZINC000113508361 643399522 /nfs/dbraw/zinc/39/95/22/643399522.db2.gz MYGBAZMKVPFFKS-UHFFFAOYSA-N 1 2 382.262 2.198 20 0 GEADLO COC(=O)CC[N@@H+](Cc1nnnn1-c1ccccc1Br)C(C)C ZINC000113508361 643399529 /nfs/dbraw/zinc/39/95/29/643399529.db2.gz MYGBAZMKVPFFKS-UHFFFAOYSA-N 1 2 382.262 2.198 20 0 GEADLO CCC[C@H](C(=O)OCC)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000114803346 643426333 /nfs/dbraw/zinc/42/63/33/643426333.db2.gz ZHHNLNBNGOJLJJ-CYBMUJFWSA-N 1 2 388.452 2.007 20 0 GEADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000115699584 643445349 /nfs/dbraw/zinc/44/53/49/643445349.db2.gz UURCAILGMJFKAU-KGLIPLIRSA-N 1 2 387.571 2.176 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCCNc2cccc[nH+]2)c(F)cc1Br ZINC000497863578 650840713 /nfs/dbraw/zinc/84/07/13/650840713.db2.gz GPHKCPXXQCEPTQ-UHFFFAOYSA-N 1 2 395.232 2.458 20 0 GEADLO O=C(COCC(F)(F)F)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000497921433 650841411 /nfs/dbraw/zinc/84/14/11/650841411.db2.gz HHYZAQJYHWDYJR-UHFFFAOYSA-N 1 2 380.794 2.442 20 0 GEADLO CCc1ccc(CNC(=O)C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)s1 ZINC000539378803 650843821 /nfs/dbraw/zinc/84/38/21/650843821.db2.gz IBCOMJORGAMVGM-KRWDZBQOSA-N 1 2 380.535 2.302 20 0 GEADLO Cc1cc(Br)ccc1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000119653952 643564022 /nfs/dbraw/zinc/56/40/22/643564022.db2.gz CNNKEJJTQMNICA-UHFFFAOYSA-N 1 2 380.330 2.498 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1csc2ccc(Cl)cc12 ZINC000119741875 643569667 /nfs/dbraw/zinc/56/96/67/643569667.db2.gz SYWNEHQRPZCBDD-HNNXBMFYSA-N 1 2 382.913 2.249 20 0 GEADLO CC(C)[N@H+](C)CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000119914817 643579297 /nfs/dbraw/zinc/57/92/97/643579297.db2.gz OWABFNBHHXVVMA-UHFFFAOYSA-N 1 2 382.511 2.014 20 0 GEADLO CC(C)[N@@H+](C)CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000119914817 643579302 /nfs/dbraw/zinc/57/93/02/643579302.db2.gz OWABFNBHHXVVMA-UHFFFAOYSA-N 1 2 382.511 2.014 20 0 GEADLO C[C@@H]1CCN(C(=O)CCn2cc(Br)ccc2=O)C[C@H]1n1cc[nH+]c1 ZINC000126004893 643718001 /nfs/dbraw/zinc/71/80/01/643718001.db2.gz DUYAMJNTUUJLJZ-UKRRQHHQSA-N 1 2 393.285 2.307 20 0 GEADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000126377796 643730766 /nfs/dbraw/zinc/73/07/66/643730766.db2.gz CDJWVELBUCXMEY-GTJPDFRWSA-N 1 2 375.332 2.106 20 0 GEADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000126377796 643730768 /nfs/dbraw/zinc/73/07/68/643730768.db2.gz CDJWVELBUCXMEY-GTJPDFRWSA-N 1 2 375.332 2.106 20 0 GEADLO O[C@@H](COC1CCOCC1)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000127381244 643774088 /nfs/dbraw/zinc/77/40/88/643774088.db2.gz SPVNCDCKXBVKSA-CQSZACIVSA-N 1 2 390.311 2.067 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@@H]1n1cc[nH+]c1 ZINC000151256254 643933082 /nfs/dbraw/zinc/93/30/82/643933082.db2.gz SCWFIUXMGXVVDV-STQMWFEESA-N 1 2 379.873 2.456 20 0 GEADLO COC(=O)c1nn(CN2CCC(n3cc[nH+]c3)CC2)c(C)c1Br ZINC000152083203 643963527 /nfs/dbraw/zinc/96/35/27/643963527.db2.gz OMEANYOUQQTGLX-UHFFFAOYSA-N 1 2 382.262 2.232 20 0 GEADLO O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCC[NH+]1CCSCC1 ZINC000541798467 650881156 /nfs/dbraw/zinc/88/11/56/650881156.db2.gz KQJHASLWSMMXKM-UHFFFAOYSA-N 1 2 383.930 2.451 20 0 GEADLO C[C@@H](Cc1ccccc1Cl)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000154022810 644015544 /nfs/dbraw/zinc/01/55/44/644015544.db2.gz DOOHLIYSDQFYKO-AWEZNQCLSA-N 1 2 386.945 2.144 20 0 GEADLO Cc1ccc(Br)c(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000154598946 644054407 /nfs/dbraw/zinc/05/44/07/644054407.db2.gz FZHFNFWTULAWDK-UHFFFAOYSA-N 1 2 379.258 2.441 20 0 GEADLO CSc1cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(Cl)cc1Cl ZINC000154639705 644057235 /nfs/dbraw/zinc/05/72/35/644057235.db2.gz NHJLHMKYTIBSIN-LLVKDONJSA-N 1 2 393.336 2.480 20 0 GEADLO Nc1ncc(Cl)cc1S(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542121239 650887845 /nfs/dbraw/zinc/88/78/45/650887845.db2.gz UMDJIUDFMRBIRC-UHFFFAOYSA-N 1 2 383.905 2.395 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)cc1)NNc1cc[nH+]cc1Cl ZINC000155987030 644084004 /nfs/dbraw/zinc/08/40/04/644084004.db2.gz VPJYDITZHIWAGN-UHFFFAOYSA-N 1 2 383.633 2.371 20 0 GEADLO CC(C)(O)CN1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000158581344 644150009 /nfs/dbraw/zinc/15/00/09/644150009.db2.gz KDDQBPXTTVEVDO-UHFFFAOYSA-N 1 2 394.313 2.110 20 0 GEADLO CC(C)OCCS(=O)(=O)N1CC[NH+](CCSC2CCCCC2)CC1 ZINC000500089222 650896076 /nfs/dbraw/zinc/89/60/76/650896076.db2.gz GBCRBIKSCNRTCI-UHFFFAOYSA-N 1 2 378.604 2.425 20 0 GEADLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)cc1 ZINC000159310863 644186141 /nfs/dbraw/zinc/18/61/41/644186141.db2.gz OAECITLKTVPWCX-CYBMUJFWSA-N 1 2 382.283 2.401 20 0 GEADLO NC(=O)[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cccc(Br)c1 ZINC000162093833 644231916 /nfs/dbraw/zinc/23/19/16/644231916.db2.gz RYTAKIUWLJLUNS-HOTGVXAUSA-N 1 2 388.265 2.371 20 0 GEADLO C[C@H](Cc1ccccc1Br)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000164491194 644265307 /nfs/dbraw/zinc/26/53/07/644265307.db2.gz LYIZFLRZVVPCIH-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO Cc1cc[nH+]c(N2CCN(Cn3cc(Br)c([N+](=O)[O-])n3)CC2)c1 ZINC000165900028 644271408 /nfs/dbraw/zinc/27/14/08/644271408.db2.gz MTGMSUKFJXYPKV-UHFFFAOYSA-N 1 2 381.234 2.037 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(I)cc1 ZINC000170865882 644293638 /nfs/dbraw/zinc/29/36/38/644293638.db2.gz HISHCOXQWQUTBP-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(I)cc1 ZINC000170865882 644293643 /nfs/dbraw/zinc/29/36/43/644293643.db2.gz HISHCOXQWQUTBP-UHFFFAOYSA-N 1 2 388.249 2.132 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)CCOc1cccc(Br)c1 ZINC000170866220 644293760 /nfs/dbraw/zinc/29/37/60/644293760.db2.gz BRODVZYJJYPPTP-UHFFFAOYSA-N 1 2 385.302 2.445 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)CCOc1cccc(Br)c1 ZINC000170866220 644293767 /nfs/dbraw/zinc/29/37/67/644293767.db2.gz BRODVZYJJYPPTP-UHFFFAOYSA-N 1 2 385.302 2.445 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCc2ccc(Br)s2)CCO1 ZINC000171012892 644301809 /nfs/dbraw/zinc/30/18/09/644301809.db2.gz KAWQGLRDFOEXAX-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCc2ccc(Br)s2)CCO1 ZINC000171012892 644301814 /nfs/dbraw/zinc/30/18/14/644301814.db2.gz KAWQGLRDFOEXAX-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCc2ccc(Br)c(F)c2)CCO1 ZINC000171209826 644317101 /nfs/dbraw/zinc/31/71/01/644317101.db2.gz UDWDIKDBDMPXGH-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCc2ccc(Br)c(F)c2)CCO1 ZINC000171209826 644317104 /nfs/dbraw/zinc/31/71/04/644317104.db2.gz UDWDIKDBDMPXGH-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)cc1Cl ZINC000171628405 644330654 /nfs/dbraw/zinc/33/06/54/644330654.db2.gz NZAVDIKGRLANDL-UHFFFAOYSA-N 1 2 391.896 2.400 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000172702862 644341621 /nfs/dbraw/zinc/34/16/21/644341621.db2.gz JGHFREBGEMZLBC-CQSZACIVSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000172702862 644341631 /nfs/dbraw/zinc/34/16/31/644341631.db2.gz JGHFREBGEMZLBC-CQSZACIVSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1c(F)cc(Br)cc1F ZINC000174079277 644368440 /nfs/dbraw/zinc/36/84/40/644368440.db2.gz BHMRDVAYRFPPCO-SNVBAGLBSA-N 1 2 391.260 2.485 20 0 GEADLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000179675488 644466464 /nfs/dbraw/zinc/46/64/64/644466464.db2.gz RCPAFPOQYOYQEC-CQSZACIVSA-N 1 2 398.345 2.495 20 0 GEADLO C[C@@H](NC(=O)NCCNc1cccc(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000182709976 644968674 /nfs/dbraw/zinc/96/86/74/644968674.db2.gz IQCDYKVVEOKPMH-KGLIPLIRSA-N 1 2 399.333 2.269 20 0 GEADLO Cc1cnc([C@@H](C)CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000183183518 644984815 /nfs/dbraw/zinc/98/48/15/644984815.db2.gz FHDNSICXWPEJIQ-SUMWQHHRSA-N 1 2 384.571 2.062 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000183193892 644986059 /nfs/dbraw/zinc/98/60/59/644986059.db2.gz KGFPLJRBELQDTP-NXEZZACHSA-N 1 2 375.252 2.421 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000183193892 644986060 /nfs/dbraw/zinc/98/60/60/644986060.db2.gz KGFPLJRBELQDTP-NXEZZACHSA-N 1 2 375.252 2.421 20 0 GEADLO CN1C(=O)CN(C[NH+]2CCC(Oc3cccc(Br)c3)CC2)C1=O ZINC000184128303 645010319 /nfs/dbraw/zinc/01/03/19/645010319.db2.gz OLSTUVDSLCREOM-UHFFFAOYSA-N 1 2 382.258 2.144 20 0 GEADLO COc1cc(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)ncn1 ZINC000184435235 645017761 /nfs/dbraw/zinc/01/77/61/645017761.db2.gz LSSLHGWFNJWLCH-UHFFFAOYSA-N 1 2 379.258 2.276 20 0 GEADLO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cc(Br)cc(F)c1O ZINC000184964155 645029543 /nfs/dbraw/zinc/02/95/43/645029543.db2.gz CFOGYYRDDXPEHW-VIFPVBQESA-N 1 2 395.294 2.368 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NNc2ccc(Br)c(F)c2)CCO1 ZINC000185313298 645042457 /nfs/dbraw/zinc/04/24/57/645042457.db2.gz VSUARTSWLSUGGM-UHFFFAOYSA-N 1 2 389.269 2.325 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NNc2ccc(Br)c(F)c2)CCO1 ZINC000185313298 645042458 /nfs/dbraw/zinc/04/24/58/645042458.db2.gz VSUARTSWLSUGGM-UHFFFAOYSA-N 1 2 389.269 2.325 20 0 GEADLO Cc1nc(N2CCN(C(=O)COc3ccccc3Br)CC2)cc[nH+]1 ZINC000185428092 645044976 /nfs/dbraw/zinc/04/49/76/645044976.db2.gz ZYLDAHDEUCOFHW-UHFFFAOYSA-N 1 2 391.269 2.275 20 0 GEADLO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000185433684 645045130 /nfs/dbraw/zinc/04/51/30/645045130.db2.gz NGLGABGWYIMZNP-UHFFFAOYSA-N 1 2 377.913 2.174 20 0 GEADLO Cc1nc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000185438956 645045703 /nfs/dbraw/zinc/04/57/03/645045703.db2.gz YGZPIAUIMIPLFU-UHFFFAOYSA-N 1 2 375.270 2.439 20 0 GEADLO CC[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000187198073 645085357 /nfs/dbraw/zinc/08/53/57/645085357.db2.gz HOSBBQAPOXMNGM-BXUZGUMPSA-N 1 2 380.279 2.131 20 0 GEADLO CC[N@@H+](C[C@@H](O)c1ccc(F)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000187198073 645085361 /nfs/dbraw/zinc/08/53/61/645085361.db2.gz HOSBBQAPOXMNGM-BXUZGUMPSA-N 1 2 380.279 2.131 20 0 GEADLO Cc1cc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)sc1Cl ZINC000187914421 645100054 /nfs/dbraw/zinc/10/00/54/645100054.db2.gz YQLBKYYTBZYWIX-ZDUSSCGKSA-N 1 2 378.947 2.443 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C(=O)Nc1nc(Cl)cc(NN)[nH+]1 ZINC000188127548 645109492 /nfs/dbraw/zinc/10/94/92/645109492.db2.gz OKDFGGSRICFTGS-UHFFFAOYSA-N 1 2 399.636 2.064 20 0 GEADLO C[C@@H]([NH2+][C@H](C)c1nnnn1C1CC1)C(=O)Nc1ccc(Br)cc1 ZINC000190855230 645166852 /nfs/dbraw/zinc/16/68/52/645166852.db2.gz PJQCUHBMBZRMQE-NXEZZACHSA-N 1 2 379.262 2.448 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NNC(=O)c1ccc(Br)cc1Cl ZINC000193155166 645245944 /nfs/dbraw/zinc/24/59/44/645245944.db2.gz QXRXSKJTYCPJDP-UHFFFAOYSA-N 1 2 385.649 2.230 20 0 GEADLO Cc1c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cnn1-c1ccc(Br)cc1 ZINC000194621124 645337980 /nfs/dbraw/zinc/33/79/80/645337980.db2.gz ZGSZROVXAOIJJC-OAHLLOKOSA-N 1 2 393.285 2.004 20 0 GEADLO Cc1c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cnn1-c1ccc(Br)cc1 ZINC000194621124 645337984 /nfs/dbraw/zinc/33/79/84/645337984.db2.gz ZGSZROVXAOIJJC-OAHLLOKOSA-N 1 2 393.285 2.004 20 0 GEADLO [NH3+]CC1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCCC1 ZINC000237769971 645440731 /nfs/dbraw/zinc/44/07/31/645440731.db2.gz APFSQAYGRNOTOG-UHFFFAOYSA-N 1 2 380.495 2.402 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)NCCCCn2cc[nH+]c2)c1 ZINC000546883932 651013145 /nfs/dbraw/zinc/01/31/45/651013145.db2.gz CMWQNJNOWLKFCU-UHFFFAOYSA-N 1 2 388.287 2.413 20 0 GEADLO CC[C@H](CSC)[N@H+](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000245596615 645460823 /nfs/dbraw/zinc/46/08/23/645460823.db2.gz NIRNJMXMQCIGGI-WBVHZDCISA-N 1 2 390.615 2.408 20 0 GEADLO CC[C@H](CSC)[N@@H+](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000245596615 645460830 /nfs/dbraw/zinc/46/08/30/645460830.db2.gz NIRNJMXMQCIGGI-WBVHZDCISA-N 1 2 390.615 2.408 20 0 GEADLO C[C@H](NC(=O)[C@H]1COc2ccc(Br)cc21)[C@H](C)[NH+]1CCOCC1 ZINC000245628499 645463548 /nfs/dbraw/zinc/46/35/48/645463548.db2.gz HAILZZLAZYCMLQ-HUBLWGQQSA-N 1 2 383.286 2.151 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[N@@H+]1C[C@H](C)O ZINC000245780573 645468633 /nfs/dbraw/zinc/46/86/33/645468633.db2.gz CDDLQCQFNOPNSX-GXTWGEPZSA-N 1 2 380.432 2.171 20 0 GEADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C[C@H](C)O ZINC000245780573 645468641 /nfs/dbraw/zinc/46/86/41/645468641.db2.gz CDDLQCQFNOPNSX-GXTWGEPZSA-N 1 2 380.432 2.171 20 0 GEADLO C[C@H]([C@H](C)NC(=O)[C@H](C)Oc1cccc(Br)c1)[NH+]1CCOCC1 ZINC000246603768 645486719 /nfs/dbraw/zinc/48/67/19/645486719.db2.gz BOZIMULBMRKPPJ-MJBXVCDLSA-N 1 2 385.302 2.442 20 0 GEADLO Cc1nsc(N2CCC[N@@H+]([C@H](C)C(=O)NCCc3cccs3)CC2)n1 ZINC000247517561 645511772 /nfs/dbraw/zinc/51/17/72/645511772.db2.gz NCAOHRBJFVUFTL-CYBMUJFWSA-N 1 2 379.555 2.168 20 0 GEADLO Cc1nsc(N2CCC[N@H+]([C@H](C)C(=O)NCCc3cccs3)CC2)n1 ZINC000247517561 645511778 /nfs/dbraw/zinc/51/17/78/645511778.db2.gz NCAOHRBJFVUFTL-CYBMUJFWSA-N 1 2 379.555 2.168 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)cc1Cl ZINC000547246916 651019584 /nfs/dbraw/zinc/01/95/84/651019584.db2.gz VVYVDNPMTOOLLF-UHFFFAOYSA-N 1 2 389.880 2.368 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)cc1Cl ZINC000547246916 651019590 /nfs/dbraw/zinc/01/95/90/651019590.db2.gz VVYVDNPMTOOLLF-UHFFFAOYSA-N 1 2 389.880 2.368 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCN1CCO[C@@H](C)C1 ZINC000249118050 645545778 /nfs/dbraw/zinc/54/57/78/645545778.db2.gz YWJLBHXLNMDZJS-AWEZNQCLSA-N 1 2 384.318 2.349 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCN1CCO[C@@H](C)C1 ZINC000249118050 645545779 /nfs/dbraw/zinc/54/57/79/645545779.db2.gz YWJLBHXLNMDZJS-AWEZNQCLSA-N 1 2 384.318 2.349 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000249118050 645545782 /nfs/dbraw/zinc/54/57/82/645545782.db2.gz YWJLBHXLNMDZJS-AWEZNQCLSA-N 1 2 384.318 2.349 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)CC[N@H+]1CCO[C@@H](C)C1 ZINC000249118050 645545788 /nfs/dbraw/zinc/54/57/88/645545788.db2.gz YWJLBHXLNMDZJS-AWEZNQCLSA-N 1 2 384.318 2.349 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc(Cl)cc2c1OCC2 ZINC000547320841 651022291 /nfs/dbraw/zinc/02/22/91/651022291.db2.gz LMLVUNDCMXDIAE-SFHVURJKSA-N 1 2 382.913 2.213 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1Cl ZINC000261757516 645597256 /nfs/dbraw/zinc/59/72/56/645597256.db2.gz QUSNKMKZBTVKMN-OAHLLOKOSA-N 1 2 381.885 2.387 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cnc3n2CCC3)[C@@H]1c1ccc(Cl)cc1 ZINC000547474255 651028156 /nfs/dbraw/zinc/02/81/56/651028156.db2.gz SGWFRHBCHOGHHK-YOEHRIQHSA-N 1 2 380.901 2.206 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cnc3n2CCC3)[C@@H]1c1ccc(Cl)cc1 ZINC000547474255 651028159 /nfs/dbraw/zinc/02/81/59/651028159.db2.gz SGWFRHBCHOGHHK-YOEHRIQHSA-N 1 2 380.901 2.206 20 0 GEADLO C[C@@H](C[NH2+]Cc1ncc(Br)cc1Br)S(C)(=O)=O ZINC000547515067 651029315 /nfs/dbraw/zinc/02/93/15/651029315.db2.gz BIVHDFKIXRJGNO-ZETCQYMHSA-N 1 2 386.109 2.129 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCCCOc2ccc(Br)cc2)C1 ZINC000264717513 645706383 /nfs/dbraw/zinc/70/63/83/645706383.db2.gz GWETWRPMIYUJMT-INIZCTEOSA-N 1 2 398.345 2.360 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCCCOc2ccc(Br)cc2)C1 ZINC000264717513 645706387 /nfs/dbraw/zinc/70/63/87/645706387.db2.gz GWETWRPMIYUJMT-INIZCTEOSA-N 1 2 398.345 2.360 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)CCSc2ccc(Br)cc2)C1 ZINC000264742794 645710105 /nfs/dbraw/zinc/71/01/05/645710105.db2.gz KXJBLKMANFFNRJ-CQSZACIVSA-N 1 2 386.359 2.293 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCSc2ccc(Br)cc2)C1 ZINC000264742794 645710107 /nfs/dbraw/zinc/71/01/07/645710107.db2.gz KXJBLKMANFFNRJ-CQSZACIVSA-N 1 2 386.359 2.293 20 0 GEADLO C[N@H+](CCN1CCOCC1)Cc1nc(-c2cccc(Br)c2)no1 ZINC000264874547 645726016 /nfs/dbraw/zinc/72/60/16/645726016.db2.gz SNIILQCUVDVZPE-UHFFFAOYSA-N 1 2 381.274 2.263 20 0 GEADLO C[N@@H+](CCN1CCOCC1)Cc1nc(-c2cccc(Br)c2)no1 ZINC000264874547 645726029 /nfs/dbraw/zinc/72/60/29/645726029.db2.gz SNIILQCUVDVZPE-UHFFFAOYSA-N 1 2 381.274 2.263 20 0 GEADLO O=S(=O)(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000547643512 651040656 /nfs/dbraw/zinc/04/06/56/651040656.db2.gz HKWGLLGAHXSIEE-LLVKDONJSA-N 1 2 375.372 2.118 20 0 GEADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000266024296 645819849 /nfs/dbraw/zinc/81/98/49/645819849.db2.gz CUIYIPCJEWVNRL-GFCCVEGCSA-N 1 2 376.463 2.188 20 0 GEADLO CC(C)(C)[C@@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(F)(F)F ZINC000547855141 651047779 /nfs/dbraw/zinc/04/77/79/651047779.db2.gz QPGXFOYOGXCHDF-DOMZBBRYSA-N 1 2 383.480 2.471 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000547849683 651047839 /nfs/dbraw/zinc/04/78/39/651047839.db2.gz GCPPLUPRQBUWNP-FZMZJTMJSA-N 1 2 382.873 2.095 20 0 GEADLO CSc1ccc(OCC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000266729198 645860823 /nfs/dbraw/zinc/86/08/23/645860823.db2.gz KEFQWBRKMAOUPJ-WBVHZDCISA-N 1 2 385.551 2.455 20 0 GEADLO CSc1ccc(OCC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000266729198 645860824 /nfs/dbraw/zinc/86/08/24/645860824.db2.gz KEFQWBRKMAOUPJ-WBVHZDCISA-N 1 2 385.551 2.455 20 0 GEADLO Cc1cc(Br)cnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000268127232 645946132 /nfs/dbraw/zinc/94/61/32/645946132.db2.gz DNXQSRIRVJJSSU-UHFFFAOYSA-N 1 2 388.273 2.156 20 0 GEADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)S(=O)(=O)Cc1c[nH+]cn1C ZINC000268134855 645946530 /nfs/dbraw/zinc/94/65/30/645946530.db2.gz BIKIJOBFZUIAQA-NSHDSACASA-N 1 2 385.873 2.333 20 0 GEADLO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547982705 651059608 /nfs/dbraw/zinc/05/96/08/651059608.db2.gz ZJMWCXVHLKJVFM-SMDDNHRTSA-N 1 2 376.869 2.471 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cccc(F)c1I ZINC000547983468 651059633 /nfs/dbraw/zinc/05/96/33/651059633.db2.gz DFBLUZRXSKPOEU-VIFPVBQESA-N 1 2 385.180 2.372 20 0 GEADLO COc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc(OC)c1Br ZINC000547984249 651059758 /nfs/dbraw/zinc/05/97/58/651059758.db2.gz SNXIMYDINJDZAY-LLVKDONJSA-N 1 2 380.242 2.408 20 0 GEADLO Cc1ccc(NC(=O)CS(=O)(=O)Cc2c[nH+]cn2C)c(Br)c1 ZINC000268231767 645956905 /nfs/dbraw/zinc/95/69/05/645956905.db2.gz VMQAGJPOOJFSMR-UHFFFAOYSA-N 1 2 386.271 2.045 20 0 GEADLO FC(F)(F)COCCC[NH+]1CCN(c2ncncc2Br)CC1 ZINC000269057686 646012813 /nfs/dbraw/zinc/01/28/13/646012813.db2.gz XAQQFFKACHHHMZ-UHFFFAOYSA-N 1 2 383.212 2.330 20 0 GEADLO Cc1nc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 ZINC000269281003 646024888 /nfs/dbraw/zinc/02/48/88/646024888.db2.gz KQJZRNBSYAQXIF-CYBMUJFWSA-N 1 2 381.523 2.323 20 0 GEADLO COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000269653394 646048610 /nfs/dbraw/zinc/04/86/10/646048610.db2.gz IOQSEQAZWYGGGK-CYBMUJFWSA-N 1 2 386.470 2.255 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270589444 646123207 /nfs/dbraw/zinc/12/32/07/646123207.db2.gz DVIDPSCDWSZPJD-SCZZXKLOSA-N 1 2 378.782 2.428 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270589444 646123211 /nfs/dbraw/zinc/12/32/11/646123211.db2.gz DVIDPSCDWSZPJD-SCZZXKLOSA-N 1 2 378.782 2.428 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@H+](CC)CCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000270672179 646127313 /nfs/dbraw/zinc/12/73/13/646127313.db2.gz ALDZZWJQMNBVKN-CVEARBPZSA-N 1 2 386.583 2.427 20 0 GEADLO CCCN(C(=O)[C@@H](C)[N@@H+](CC)CCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000270672179 646127324 /nfs/dbraw/zinc/12/73/24/646127324.db2.gz ALDZZWJQMNBVKN-CVEARBPZSA-N 1 2 386.583 2.427 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000270885499 646147529 /nfs/dbraw/zinc/14/75/29/646147529.db2.gz GLKKOODLRPEBSG-LLVKDONJSA-N 1 2 387.303 2.079 20 0 GEADLO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cscn1 ZINC000271123932 646176119 /nfs/dbraw/zinc/17/61/19/646176119.db2.gz KBUJOPWCRHWWLK-HIFRSBDPSA-N 1 2 381.523 2.451 20 0 GEADLO COC(=O)C1(O)CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000271399608 646201410 /nfs/dbraw/zinc/20/14/10/646201410.db2.gz NKDMYMGOIWCTOR-LLVKDONJSA-N 1 2 389.279 2.171 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Br)s2)[C@H](C)C1 ZINC000271687487 646219726 /nfs/dbraw/zinc/21/97/26/646219726.db2.gz PQJGQCJKRCMVII-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Br)s2)[C@H](C)C1 ZINC000271687487 646219730 /nfs/dbraw/zinc/21/97/30/646219730.db2.gz PQJGQCJKRCMVII-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000272457166 646274249 /nfs/dbraw/zinc/27/42/49/646274249.db2.gz KRFUNMGRVKIKPL-VIFPVBQESA-N 1 2 392.250 2.160 20 0 GEADLO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2scnc2C(=O)OC)C1 ZINC000274092914 646316370 /nfs/dbraw/zinc/31/63/70/646316370.db2.gz AIASDFCKMBXMSE-GFCCVEGCSA-N 1 2 389.543 2.109 20 0 GEADLO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2scnc2C(=O)OC)C1 ZINC000274092914 646316376 /nfs/dbraw/zinc/31/63/76/646316376.db2.gz AIASDFCKMBXMSE-GFCCVEGCSA-N 1 2 389.543 2.109 20 0 GEADLO CS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000274126552 646319069 /nfs/dbraw/zinc/31/90/69/646319069.db2.gz OFUDPRKXKXEVKZ-CABCVRRESA-N 1 2 385.555 2.104 20 0 GEADLO CS(=O)(=O)[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000274126554 646319221 /nfs/dbraw/zinc/31/92/21/646319221.db2.gz OFUDPRKXKXEVKZ-GJZGRUSLSA-N 1 2 385.555 2.104 20 0 GEADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc(O)c(Br)cc2Br)C1 ZINC000277577866 646445604 /nfs/dbraw/zinc/44/56/04/646445604.db2.gz SZUIIBOHUPCSQP-NSHDSACASA-N 1 2 394.063 2.186 20 0 GEADLO C[N@H+]1CCO[C@H](C(=O)Nc2cc(O)c(Br)cc2Br)C1 ZINC000277577866 646445607 /nfs/dbraw/zinc/44/56/07/646445607.db2.gz SZUIIBOHUPCSQP-NSHDSACASA-N 1 2 394.063 2.186 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277856256 646478621 /nfs/dbraw/zinc/47/86/21/646478621.db2.gz TWDDKOCMRWBHQX-DZGCQCFKSA-N 1 2 380.432 2.072 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277856256 646478626 /nfs/dbraw/zinc/47/86/26/646478626.db2.gz TWDDKOCMRWBHQX-DZGCQCFKSA-N 1 2 380.432 2.072 20 0 GEADLO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000277908199 646481399 /nfs/dbraw/zinc/48/13/99/646481399.db2.gz OTFHRNQHALMRAA-INIZCTEOSA-N 1 2 379.507 2.429 20 0 GEADLO Cc1c(Br)cc(C(=O)NCCCNc2cccc[nH+]2)c(=O)n1C ZINC000278085102 646490982 /nfs/dbraw/zinc/49/09/82/646490982.db2.gz PGXCGFLTWAKHAG-UHFFFAOYSA-N 1 2 379.258 2.083 20 0 GEADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccoc1Br ZINC000278193999 646501576 /nfs/dbraw/zinc/50/15/76/646501576.db2.gz PDGFNTURMKLKPQ-CYBMUJFWSA-N 1 2 393.285 2.378 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000278270864 646508477 /nfs/dbraw/zinc/50/84/77/646508477.db2.gz JBPKJYSNIBLQKN-DOMZBBRYSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000278270864 646508483 /nfs/dbraw/zinc/50/84/83/646508483.db2.gz JBPKJYSNIBLQKN-DOMZBBRYSA-N 1 2 376.266 2.434 20 0 GEADLO O=C(c1cccs1)N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000278445892 646520596 /nfs/dbraw/zinc/52/05/96/646520596.db2.gz TZWXVQNBOWSTBO-UHFFFAOYSA-N 1 2 375.523 2.054 20 0 GEADLO O=C(c1cccs1)N1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000278445892 646520601 /nfs/dbraw/zinc/52/06/01/646520601.db2.gz TZWXVQNBOWSTBO-UHFFFAOYSA-N 1 2 375.523 2.054 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000278659180 646535669 /nfs/dbraw/zinc/53/56/69/646535669.db2.gz KJMGUTPGNDQLQL-NWDGAFQWSA-N 1 2 394.331 2.365 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000278659180 646535678 /nfs/dbraw/zinc/53/56/78/646535678.db2.gz KJMGUTPGNDQLQL-NWDGAFQWSA-N 1 2 394.331 2.365 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)c(C)c1Cl ZINC000278968035 646567805 /nfs/dbraw/zinc/56/78/05/646567805.db2.gz BVSASYBFIJMYED-MRVPVSSYSA-N 1 2 377.875 2.060 20 0 GEADLO Brc1cnn(Cc2cnc(NCCC[NH+]3CCOCC3)s2)c1 ZINC000279054194 646574142 /nfs/dbraw/zinc/57/41/42/646574142.db2.gz RTSOAZZLJZHXQW-UHFFFAOYSA-N 1 2 386.319 2.285 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000279062386 646575054 /nfs/dbraw/zinc/57/50/54/646575054.db2.gz DJKQHKYCRDJJOU-LBPRGKRZSA-N 1 2 399.285 2.013 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1c(F)ccc(I)c1F ZINC000279534964 646608357 /nfs/dbraw/zinc/60/83/57/646608357.db2.gz AASUPHQBRNIKBH-ZETCQYMHSA-N 1 2 389.205 2.092 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(Br)c(F)c1 ZINC000279640652 646617678 /nfs/dbraw/zinc/61/76/78/646617678.db2.gz ZOBLCQLYOTVIMT-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCN(Cc2c(Br)c(C)nn2C)CC1 ZINC000279874885 646635507 /nfs/dbraw/zinc/63/55/07/646635507.db2.gz RAAYFBMJLIBMIF-UHFFFAOYSA-N 1 2 382.306 2.414 20 0 GEADLO Cc1nn(C)c(C[N@H+](C)C[C@@H]2C[C@H](F)CN2c2ccncn2)c1Br ZINC000280463567 646684693 /nfs/dbraw/zinc/68/46/93/646684693.db2.gz BYDLGKPRVASUQG-STQMWFEESA-N 1 2 397.296 2.330 20 0 GEADLO Cc1nn(C)c(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2c2ccncn2)c1Br ZINC000280463567 646684697 /nfs/dbraw/zinc/68/46/97/646684697.db2.gz BYDLGKPRVASUQG-STQMWFEESA-N 1 2 397.296 2.330 20 0 GEADLO Cc1ccc(F)c(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1Br ZINC000280755661 646713246 /nfs/dbraw/zinc/71/32/46/646713246.db2.gz NSRIYOOXYVCLDP-JTQLQIEISA-N 1 2 383.221 2.237 20 0 GEADLO Fc1ccc(Br)cc1CN1CCN(CC[NH+]2CCOCC2)CC1 ZINC000281219592 646755464 /nfs/dbraw/zinc/75/54/64/646755464.db2.gz BOHHRLUVVNBRBQ-UHFFFAOYSA-N 1 2 386.309 2.038 20 0 GEADLO C[C@@H](CNS(=O)(=O)CCC(F)(F)F)[NH+]1CCN(c2ccccc2)CC1 ZINC000281227293 646755716 /nfs/dbraw/zinc/75/57/16/646755716.db2.gz RUGZUDKBNWWRMF-AWEZNQCLSA-N 1 2 379.448 2.069 20 0 GEADLO O=C(NCc1ccc(Br)cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000283674897 646826681 /nfs/dbraw/zinc/82/66/81/646826681.db2.gz XCOBMSUQIFTBBH-UHFFFAOYSA-N 1 2 391.269 2.195 20 0 GEADLO Cc1nc(N2CCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)cc[nH+]1 ZINC000287877239 646899302 /nfs/dbraw/zinc/89/93/02/646899302.db2.gz QITIXTQARMLSGF-UHFFFAOYSA-N 1 2 388.827 2.228 20 0 GEADLO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CCn2c[nH+]cc2C1 ZINC000291090164 647176716 /nfs/dbraw/zinc/17/67/16/647176716.db2.gz UWWHAKSNTHAVFG-CQSZACIVSA-N 1 2 390.285 2.450 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CSC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000292167646 647183217 /nfs/dbraw/zinc/18/32/17/647183217.db2.gz WYTMKZSNFBIMBC-HNNXBMFYSA-N 1 2 376.869 2.094 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cnc(Cl)c(Br)c1 ZINC000297855858 647266882 /nfs/dbraw/zinc/26/68/82/647266882.db2.gz SJHFQMOYCKPEEU-CMPLNLGQSA-N 1 2 388.693 2.433 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cnc(Cl)c(Br)c1 ZINC000297855862 647267167 /nfs/dbraw/zinc/26/71/67/647267167.db2.gz SJHFQMOYCKPEEU-PWSUYJOCSA-N 1 2 388.693 2.433 20 0 GEADLO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000299381395 647273016 /nfs/dbraw/zinc/27/30/16/647273016.db2.gz MTYOXZDTEFQBSW-ZDUSSCGKSA-N 1 2 385.555 2.091 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000328642220 647312034 /nfs/dbraw/zinc/31/20/34/647312034.db2.gz YGYCGYNSYFATRJ-ABAIWWIYSA-N 1 2 385.873 2.281 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000329626965 647321266 /nfs/dbraw/zinc/32/12/66/647321266.db2.gz VOCQRMVYMZMEOY-UHFFFAOYSA-N 1 2 379.551 2.450 20 0 GEADLO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330451144 647337441 /nfs/dbraw/zinc/33/74/41/647337441.db2.gz UISAMFWAKVEUIK-CMPLNLGQSA-N 1 2 391.693 2.317 20 0 GEADLO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330451144 647337445 /nfs/dbraw/zinc/33/74/45/647337445.db2.gz UISAMFWAKVEUIK-CMPLNLGQSA-N 1 2 391.693 2.317 20 0 GEADLO C[N@H+](Cc1cc(Br)ccc1Cl)CC1(O)CCS(=O)(=O)CC1 ZINC000331150580 647368788 /nfs/dbraw/zinc/36/87/88/647368788.db2.gz IDBNCFVAKZAZSN-UHFFFAOYSA-N 1 2 396.734 2.474 20 0 GEADLO C[N@@H+](Cc1cc(Br)ccc1Cl)CC1(O)CCS(=O)(=O)CC1 ZINC000331150580 647368792 /nfs/dbraw/zinc/36/87/92/647368792.db2.gz IDBNCFVAKZAZSN-UHFFFAOYSA-N 1 2 396.734 2.474 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1Cl ZINC000331210171 647371124 /nfs/dbraw/zinc/37/11/24/647371124.db2.gz XJFIMNUCGLGXNA-CYBMUJFWSA-N 1 2 390.933 2.123 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1Cl ZINC000331210171 647371126 /nfs/dbraw/zinc/37/11/26/647371126.db2.gz XJFIMNUCGLGXNA-CYBMUJFWSA-N 1 2 390.933 2.123 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)cc2s1 ZINC000332666700 647451686 /nfs/dbraw/zinc/45/16/86/647451686.db2.gz YGXIUBIOFDKEMZ-LBPRGKRZSA-N 1 2 383.539 2.070 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)cc2s1 ZINC000332666700 647451689 /nfs/dbraw/zinc/45/16/89/647451689.db2.gz YGXIUBIOFDKEMZ-LBPRGKRZSA-N 1 2 383.539 2.070 20 0 GEADLO C[C@@H]1CCN(C(=O)c2nc3ccc(Br)cn3n2)C[C@@H]1n1cc[nH+]c1 ZINC000333952257 647486446 /nfs/dbraw/zinc/48/64/46/647486446.db2.gz ZUHHYKDQKIKNMG-YPMHNXCESA-N 1 2 389.257 2.412 20 0 GEADLO C[C@H](Cc1cc(Br)ccc1F)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348620650 647495542 /nfs/dbraw/zinc/49/55/42/647495542.db2.gz LLCSBVNADFPKQM-OTYXRUKQSA-N 1 2 395.232 2.405 20 0 GEADLO C[C@H](Cc1cc(Br)ccc1F)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348620650 647495548 /nfs/dbraw/zinc/49/55/48/647495548.db2.gz LLCSBVNADFPKQM-OTYXRUKQSA-N 1 2 395.232 2.405 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000363515992 647598734 /nfs/dbraw/zinc/59/87/34/647598734.db2.gz ODFPMXZJDWIVLS-KGLIPLIRSA-N 1 2 384.307 2.377 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000363515992 647598739 /nfs/dbraw/zinc/59/87/39/647598739.db2.gz ODFPMXZJDWIVLS-KGLIPLIRSA-N 1 2 384.307 2.377 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000363578119 647601609 /nfs/dbraw/zinc/60/16/09/647601609.db2.gz YYOAMJXCSAYXMI-UHFFFAOYSA-N 1 2 381.523 2.138 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000363578119 647601611 /nfs/dbraw/zinc/60/16/11/647601611.db2.gz YYOAMJXCSAYXMI-UHFFFAOYSA-N 1 2 381.523 2.138 20 0 GEADLO O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363785738 647607599 /nfs/dbraw/zinc/60/75/99/647607599.db2.gz YNGRQFISZQIXQB-CHWSQXEVSA-N 1 2 380.901 2.463 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(Br)cc3OC)C2)nn1 ZINC000363908117 647611961 /nfs/dbraw/zinc/61/19/61/647611961.db2.gz NMLSGLJORNQPOV-CYBMUJFWSA-N 1 2 395.257 2.283 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3OC)C2)nn1 ZINC000363908117 647611968 /nfs/dbraw/zinc/61/19/68/647611968.db2.gz NMLSGLJORNQPOV-CYBMUJFWSA-N 1 2 395.257 2.283 20 0 GEADLO C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1ncc(Br)cc1F ZINC000364476049 647628408 /nfs/dbraw/zinc/62/84/08/647628408.db2.gz CUMKXQALCSZMMB-BXKDBHETSA-N 1 2 382.237 2.173 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c2cccnc12 ZINC000364757747 647640949 /nfs/dbraw/zinc/64/09/49/647640949.db2.gz QONUPURCOIQTCP-HNNXBMFYSA-N 1 2 377.535 2.355 20 0 GEADLO O=C(C[NH+]1CCC(OC2CCOCC2)CC1)Nc1ccc(Br)cn1 ZINC000364822413 647644191 /nfs/dbraw/zinc/64/41/91/647644191.db2.gz HIEBCKCFILLVNR-UHFFFAOYSA-N 1 2 398.301 2.443 20 0 GEADLO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000365169263 647662147 /nfs/dbraw/zinc/66/21/47/647662147.db2.gz UPOLJLOWKMEYBK-SECBINFHSA-N 1 2 375.422 2.487 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(Cc2cc(Br)c(Cl)s2)CC1 ZINC000365266316 647665323 /nfs/dbraw/zinc/66/53/23/647665323.db2.gz WEFSHTBWHUBFED-UHFFFAOYSA-N 1 2 380.739 2.418 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(Cc2cc(Br)c(Cl)s2)CC1 ZINC000365266316 647665328 /nfs/dbraw/zinc/66/53/28/647665328.db2.gz WEFSHTBWHUBFED-UHFFFAOYSA-N 1 2 380.739 2.418 20 0 GEADLO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)[C@H]1c1cccc(Cl)c1 ZINC000365477300 647672611 /nfs/dbraw/zinc/67/26/11/647672611.db2.gz HXEFKJGJSLTDFL-BFYDXBDKSA-N 1 2 384.929 2.274 20 0 GEADLO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)[C@H]1c1cccc(Cl)c1 ZINC000365477300 647672614 /nfs/dbraw/zinc/67/26/14/647672614.db2.gz HXEFKJGJSLTDFL-BFYDXBDKSA-N 1 2 384.929 2.274 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000365737624 647684463 /nfs/dbraw/zinc/68/44/63/647684463.db2.gz OBGFRSSJVFWJRM-XKQJLSEDSA-N 1 2 388.302 2.235 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000365737624 647684470 /nfs/dbraw/zinc/68/44/70/647684470.db2.gz OBGFRSSJVFWJRM-XKQJLSEDSA-N 1 2 388.302 2.235 20 0 GEADLO NC(=O)C1([NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)CC2)CCCC1 ZINC000365939992 647689755 /nfs/dbraw/zinc/68/97/55/647689755.db2.gz FQRWYIXWDHUZTM-CHWSQXEVSA-N 1 2 381.929 2.447 20 0 GEADLO C[N@@H+]1CCN(C2CCN(c3nc(C(Cl)(Cl)Cl)ns3)CC2)C(=O)C1 ZINC000367340332 647730795 /nfs/dbraw/zinc/73/07/95/647730795.db2.gz VYHGXOBDSUARHG-UHFFFAOYSA-N 1 2 398.747 2.108 20 0 GEADLO C[N@H+]1CCN(C2CCN(c3nc(C(Cl)(Cl)Cl)ns3)CC2)C(=O)C1 ZINC000367340332 647730801 /nfs/dbraw/zinc/73/08/01/647730801.db2.gz VYHGXOBDSUARHG-UHFFFAOYSA-N 1 2 398.747 2.108 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000367532145 647735924 /nfs/dbraw/zinc/73/59/24/647735924.db2.gz XSXFSYKKNDFTEY-UHFFFAOYSA-N 1 2 384.889 2.151 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000368829249 647765806 /nfs/dbraw/zinc/76/58/06/647765806.db2.gz JXNDLWZQDVISFM-GFCCVEGCSA-N 1 2 388.295 2.041 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000368829249 647765811 /nfs/dbraw/zinc/76/58/11/647765811.db2.gz JXNDLWZQDVISFM-GFCCVEGCSA-N 1 2 388.295 2.041 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCOC[C@H]3c3ncon3)c[nH+]c12 ZINC000371802182 647800055 /nfs/dbraw/zinc/80/00/55/647800055.db2.gz JVALKTAJSMAUBB-ZDUSSCGKSA-N 1 2 378.230 2.362 20 0 GEADLO C[C@H](c1nccs1)N1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000372190171 647803599 /nfs/dbraw/zinc/80/35/99/647803599.db2.gz DXKYRNPCJJXRNE-CQSZACIVSA-N 1 2 376.551 2.468 20 0 GEADLO C[C@H](c1nccs1)N1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000372190171 647803602 /nfs/dbraw/zinc/80/36/02/647803602.db2.gz DXKYRNPCJJXRNE-CQSZACIVSA-N 1 2 376.551 2.468 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000374827788 647828033 /nfs/dbraw/zinc/82/80/33/647828033.db2.gz IKKPKYOUIPJSLQ-MRXNPFEDSA-N 1 2 376.881 2.012 20 0 GEADLO O=S(=O)(C1CC1)N1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000374827788 647828035 /nfs/dbraw/zinc/82/80/35/647828035.db2.gz IKKPKYOUIPJSLQ-MRXNPFEDSA-N 1 2 376.881 2.012 20 0 GEADLO O=C(NCCn1cc(Br)cn1)NCc1ccccc1-n1cc[nH+]c1 ZINC000376275098 647840957 /nfs/dbraw/zinc/84/09/57/647840957.db2.gz OJRCOWILAIKZOF-UHFFFAOYSA-N 1 2 389.257 2.331 20 0 GEADLO O=C(NCC1(C(F)(F)F)CCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000376287824 647841868 /nfs/dbraw/zinc/84/18/68/647841868.db2.gz FVZQCIYGUCWPFJ-OAHLLOKOSA-N 1 2 381.464 2.226 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)CC(C)(C)OC)CC2)cs1 ZINC000377838932 647868407 /nfs/dbraw/zinc/86/84/07/647868407.db2.gz DKHQMJZLHZFNKE-UHFFFAOYSA-N 1 2 389.587 2.262 20 0 GEADLO COC(C)(C)CS(=O)(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000377839596 647868448 /nfs/dbraw/zinc/86/84/48/647868448.db2.gz KMASUOTVTBGURV-UHFFFAOYSA-N 1 2 375.560 2.008 20 0 GEADLO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000398911825 647900764 /nfs/dbraw/zinc/90/07/64/647900764.db2.gz OISFSDURIFBAHA-LLVKDONJSA-N 1 2 397.360 2.208 20 0 GEADLO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000398911825 647900767 /nfs/dbraw/zinc/90/07/67/647900767.db2.gz OISFSDURIFBAHA-LLVKDONJSA-N 1 2 397.360 2.208 20 0 GEADLO O=C(c1ccc(I)c(O)c1)N1CC[NH+](CCCF)CC1 ZINC000402861073 647905010 /nfs/dbraw/zinc/90/50/10/647905010.db2.gz UPWYWFYREQFYKM-UHFFFAOYSA-N 1 2 392.212 2.114 20 0 GEADLO OC[C@H]1C[N@H+](Cc2cc(Cl)ccc2I)CC[C@H]1O ZINC000405228677 647909316 /nfs/dbraw/zinc/90/93/16/647909316.db2.gz UWSQOKFEYWSAGE-ZWNOBZJWSA-N 1 2 381.641 2.120 20 0 GEADLO OC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2I)CC[C@H]1O ZINC000405228677 647909319 /nfs/dbraw/zinc/90/93/19/647909319.db2.gz UWSQOKFEYWSAGE-ZWNOBZJWSA-N 1 2 381.641 2.120 20 0 GEADLO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](CC2(O)CCCC2)CC1 ZINC000408063829 647921561 /nfs/dbraw/zinc/92/15/61/647921561.db2.gz SLKPAWZGBMVBAR-UHFFFAOYSA-N 1 2 376.881 2.091 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000408071853 647922146 /nfs/dbraw/zinc/92/21/46/647922146.db2.gz QMDWYIYLEJDILC-VHSXEESVSA-N 1 2 398.248 2.332 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000408071853 647922149 /nfs/dbraw/zinc/92/21/49/647922149.db2.gz QMDWYIYLEJDILC-VHSXEESVSA-N 1 2 398.248 2.332 20 0 GEADLO Cc1nc(N(C)C)nc(NCCCNC(=O)c2cccc(Br)c2)[nH+]1 ZINC000488353390 647958686 /nfs/dbraw/zinc/95/86/86/647958686.db2.gz IEJSCEAWUIJYEW-UHFFFAOYSA-N 1 2 393.289 2.241 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000409996418 647990070 /nfs/dbraw/zinc/99/00/70/647990070.db2.gz FGTBFGBSVQEYBA-KBPBESRZSA-N 1 2 385.302 2.396 20 0 GEADLO CS(=O)(=O)c1cccnc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000413066384 648059968 /nfs/dbraw/zinc/05/99/68/648059968.db2.gz VPRRQRYSZIQAQH-CYBMUJFWSA-N 1 2 379.507 2.114 20 0 GEADLO CC[C@H](CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)CC(F)(F)F ZINC000413159017 648060318 /nfs/dbraw/zinc/06/03/18/648060318.db2.gz KCIRNCNRTZRDDM-DZGCQCFKSA-N 1 2 383.480 2.472 20 0 GEADLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc1 ZINC000414270055 648088881 /nfs/dbraw/zinc/08/88/81/648088881.db2.gz YMEVXVTVPCJFMX-HNNXBMFYSA-N 1 2 381.519 2.351 20 0 GEADLO CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000414344853 648097477 /nfs/dbraw/zinc/09/74/77/648097477.db2.gz OJCPBLHBZUURDD-GWCFXTLKSA-N 1 2 389.315 2.170 20 0 GEADLO COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000416422612 648123128 /nfs/dbraw/zinc/12/31/28/648123128.db2.gz NBOZOCMIMFOTEA-LLVKDONJSA-N 1 2 383.857 2.418 20 0 GEADLO COc1cc(C)c(Br)cc1S(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC000416537176 648165128 /nfs/dbraw/zinc/16/51/28/648165128.db2.gz RZZRZTFVROHPKS-UHFFFAOYSA-N 1 2 388.287 2.021 20 0 GEADLO COc1cc(F)c(Br)cc1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000417557628 648252455 /nfs/dbraw/zinc/25/24/55/648252455.db2.gz RZUYVJGNBCJMIY-UHFFFAOYSA-N 1 2 390.253 2.393 20 0 GEADLO O=C(C[NH2+]Cc1ccc(F)cc1I)NCC(F)(F)F ZINC000417901520 648265540 /nfs/dbraw/zinc/26/55/40/648265540.db2.gz WGFQTJQZRHZNKP-UHFFFAOYSA-N 1 2 390.118 2.198 20 0 GEADLO COC1(C(F)(F)F)CC[NH+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000419299499 648345592 /nfs/dbraw/zinc/34/55/92/648345592.db2.gz ICEIEMJHAIRXCE-UHFFFAOYSA-N 1 2 380.432 2.480 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCc2c1cccc2Br ZINC000421197089 648469542 /nfs/dbraw/zinc/46/95/42/648469542.db2.gz AWJDYAWWIRJIKW-UHFFFAOYSA-N 1 2 391.269 2.083 20 0 GEADLO CNC(=O)[C@H]1CC[N@H+](Cc2c(Br)cncc2Br)C1 ZINC000421398362 648490513 /nfs/dbraw/zinc/49/05/13/648490513.db2.gz YTTOOCXBDOGWFR-QMMMGPOBSA-N 1 2 377.080 2.175 20 0 GEADLO CNC(=O)[C@H]1CC[N@@H+](Cc2c(Br)cncc2Br)C1 ZINC000421398362 648490515 /nfs/dbraw/zinc/49/05/15/648490515.db2.gz YTTOOCXBDOGWFR-QMMMGPOBSA-N 1 2 377.080 2.175 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000422277031 648532131 /nfs/dbraw/zinc/53/21/31/648532131.db2.gz HIWCGQZFQXXFQF-AWEZNQCLSA-N 1 2 378.885 2.086 20 0 GEADLO COc1cc(CNC(=O)[C@@H]([NH3+])c2cscn2)ccc1OCC(F)(F)F ZINC000422971172 648579523 /nfs/dbraw/zinc/57/95/23/648579523.db2.gz ICOFVDADYIXDGM-ZDUSSCGKSA-N 1 2 375.372 2.409 20 0 GEADLO COc1ncc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1Br ZINC000424765646 648645493 /nfs/dbraw/zinc/64/54/93/648645493.db2.gz JIDVOWXFRFCIMK-GFCCVEGCSA-N 1 2 377.242 2.256 20 0 GEADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCCOc1cccc(I)c1 ZINC000426163080 648705892 /nfs/dbraw/zinc/70/58/92/648705892.db2.gz QXDHOCKLLYVGCA-LBPRGKRZSA-N 1 2 388.249 2.223 20 0 GEADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCCOc1cccc(I)c1 ZINC000426163080 648705898 /nfs/dbraw/zinc/70/58/98/648705898.db2.gz QXDHOCKLLYVGCA-LBPRGKRZSA-N 1 2 388.249 2.223 20 0 GEADLO CCc1c(NC(=O)COC2C[NH2+]C2)[nH]nc1-c1ccc(Br)cc1 ZINC000430534005 648762792 /nfs/dbraw/zinc/76/27/92/648762792.db2.gz YEYMJTCLEMFTON-UHFFFAOYSA-N 1 2 379.258 2.329 20 0 GEADLO COC(=O)c1sccc1S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000443138149 648864176 /nfs/dbraw/zinc/86/41/76/648864176.db2.gz UMRRGKCAYANAGR-UHFFFAOYSA-N 1 2 377.447 2.199 20 0 GEADLO CC(=O)N[C@H](CC(=O)NCc1[nH]c[nH+]c1C)c1ccc(Br)cc1 ZINC000443455792 648877285 /nfs/dbraw/zinc/87/72/85/648877285.db2.gz RGKHCJBJRAQTSC-CQSZACIVSA-N 1 2 379.258 2.364 20 0 GEADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N1CCSC[C@@H]1CCO ZINC000443584946 648882095 /nfs/dbraw/zinc/88/20/95/648882095.db2.gz YXMLIUIZMYBOJF-HNNXBMFYSA-N 1 2 383.945 2.208 20 0 GEADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N1CCSC[C@@H]1CCO ZINC000443584946 648882096 /nfs/dbraw/zinc/88/20/96/648882096.db2.gz YXMLIUIZMYBOJF-HNNXBMFYSA-N 1 2 383.945 2.208 20 0 GEADLO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000548352496 651077447 /nfs/dbraw/zinc/07/74/47/651077447.db2.gz MZWCGRRLFWWTIK-MRXNPFEDSA-N 1 2 385.277 2.440 20 0 GEADLO O=S(=O)(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000548623916 651082063 /nfs/dbraw/zinc/08/20/63/651082063.db2.gz IQQFMKHEHCSXJS-SECBINFHSA-N 1 2 377.800 2.431 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cccc2c1OCO2)[N@@H+]1CCc2sccc2C1 ZINC000548975493 651089992 /nfs/dbraw/zinc/08/99/92/651089992.db2.gz WKENZYFGXATNSJ-LBPRGKRZSA-N 1 2 380.491 2.202 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1cccc2c1OCO2)[N@H+]1CCc2sccc2C1 ZINC000548975493 651089996 /nfs/dbraw/zinc/08/99/96/651089996.db2.gz WKENZYFGXATNSJ-LBPRGKRZSA-N 1 2 380.491 2.202 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1CCCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000549125232 651092400 /nfs/dbraw/zinc/09/24/00/651092400.db2.gz CQQFBKSIWTYYFE-JKSUJKDBSA-N 1 2 387.933 2.209 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)NC[C@H]1CCCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000549125231 651092444 /nfs/dbraw/zinc/09/24/44/651092444.db2.gz CQQFBKSIWTYYFE-HZPDHXFCSA-N 1 2 387.933 2.209 20 0 GEADLO CCC[N@H+](Cc1cnc2ccc(Br)cn12)[C@@H]1CC(=O)N(C)C1=O ZINC000549826089 651101752 /nfs/dbraw/zinc/10/17/52/651101752.db2.gz ZNJQPUFASQPEFT-CYBMUJFWSA-N 1 2 379.258 2.066 20 0 GEADLO CCC[N@@H+](Cc1cnc2ccc(Br)cn12)[C@@H]1CC(=O)N(C)C1=O ZINC000549826089 651101756 /nfs/dbraw/zinc/10/17/56/651101756.db2.gz ZNJQPUFASQPEFT-CYBMUJFWSA-N 1 2 379.258 2.066 20 0 GEADLO C[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)C[C@H]1CCCS(=O)(=O)C1 ZINC000551387214 651123395 /nfs/dbraw/zinc/12/33/95/651123395.db2.gz YSYNREYKHFUFOZ-LLVKDONJSA-N 1 2 377.409 2.273 20 0 GEADLO C[N@H+](Cc1cc2c(cc1OC(F)F)OCO2)C[C@H]1CCCS(=O)(=O)C1 ZINC000551387214 651123397 /nfs/dbraw/zinc/12/33/97/651123397.db2.gz YSYNREYKHFUFOZ-LLVKDONJSA-N 1 2 377.409 2.273 20 0 GEADLO NC(=O)c1ccc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)cc1 ZINC000552759883 651157619 /nfs/dbraw/zinc/15/76/19/651157619.db2.gz BEQWWJWAVUYRFY-UHFFFAOYSA-N 1 2 386.253 2.419 20 0 GEADLO O=C(Cc1cc[nH]n1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552804818 651158572 /nfs/dbraw/zinc/15/85/72/651158572.db2.gz LJZMETUBRCRYAH-UHFFFAOYSA-N 1 2 378.230 2.233 20 0 GEADLO O=C(NCc1cc(F)cc(Br)c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553056944 651163264 /nfs/dbraw/zinc/16/32/64/651163264.db2.gz FTSZQRYUWJHWBG-UHFFFAOYSA-N 1 2 391.200 2.491 20 0 GEADLO Cn1ccc(CC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000553153985 651166289 /nfs/dbraw/zinc/16/62/89/651166289.db2.gz SEDNYCKPWYDZKI-UHFFFAOYSA-N 1 2 392.257 2.244 20 0 GEADLO O=C(N[C@H](CO)c1ccc(Br)c(F)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000553796885 651189115 /nfs/dbraw/zinc/18/91/15/651189115.db2.gz ZNHFSNREOSQYMJ-IAQYHMDHSA-N 1 2 382.233 2.197 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccc(Br)cc1 ZINC000553922467 651194289 /nfs/dbraw/zinc/19/42/89/651194289.db2.gz VQZQPCRBFARPET-RHSMWYFYSA-N 1 2 396.329 2.496 20 0 GEADLO CC(C)[N@H+](CCOCCO)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000555073515 651217524 /nfs/dbraw/zinc/21/75/24/651217524.db2.gz OFZPGZOJDIYMKD-UHFFFAOYSA-N 1 2 384.325 2.486 20 0 GEADLO CC(C)[N@@H+](CCOCCO)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000555073515 651217526 /nfs/dbraw/zinc/21/75/26/651217526.db2.gz OFZPGZOJDIYMKD-UHFFFAOYSA-N 1 2 384.325 2.486 20 0 GEADLO O=C(NC[C@@H]1CCCC(F)(F)C1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000558568265 651281644 /nfs/dbraw/zinc/28/16/44/651281644.db2.gz WVAAMIHXMPPXKX-GDBMZVCRSA-N 1 2 377.501 2.319 20 0 GEADLO O[C@@H](COC[C@H]1CCCO1)C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000558896741 651287624 /nfs/dbraw/zinc/28/76/24/651287624.db2.gz KLJBFZGTJMFVMP-HZPDHXFCSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@@H](COC[C@H]1CCCO1)C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000558896741 651287625 /nfs/dbraw/zinc/28/76/25/651287625.db2.gz KLJBFZGTJMFVMP-HZPDHXFCSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@@H](COC[C@@H]1CCCO1)C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000558896739 651287670 /nfs/dbraw/zinc/28/76/70/651287670.db2.gz KLJBFZGTJMFVMP-CVEARBPZSA-N 1 2 386.286 2.200 20 0 GEADLO O[C@@H](COC[C@@H]1CCCO1)C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000558896739 651287673 /nfs/dbraw/zinc/28/76/73/651287673.db2.gz KLJBFZGTJMFVMP-CVEARBPZSA-N 1 2 386.286 2.200 20 0 GEADLO O=C(NCc1ccccc1Br)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000559617178 651299079 /nfs/dbraw/zinc/29/90/79/651299079.db2.gz WBASMKJAELGYOH-UHFFFAOYSA-N 1 2 391.269 2.195 20 0 GEADLO O=C(NCc1ccccc1Br)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000559617178 651299088 /nfs/dbraw/zinc/29/90/88/651299088.db2.gz WBASMKJAELGYOH-UHFFFAOYSA-N 1 2 391.269 2.195 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000559796548 651301137 /nfs/dbraw/zinc/30/11/37/651301137.db2.gz UTONDWRLYASJGO-UHFFFAOYSA-N 1 2 386.930 2.156 20 0 GEADLO NS(=O)(=O)c1cc(Cl)cc(C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000559796548 651301139 /nfs/dbraw/zinc/30/11/39/651301139.db2.gz UTONDWRLYASJGO-UHFFFAOYSA-N 1 2 386.930 2.156 20 0 GEADLO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000559789921 651301180 /nfs/dbraw/zinc/30/11/80/651301180.db2.gz DLPMAGGJZHEQPM-CYBMUJFWSA-N 1 2 387.933 2.116 20 0 GEADLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000559789921 651301182 /nfs/dbraw/zinc/30/11/82/651301182.db2.gz DLPMAGGJZHEQPM-CYBMUJFWSA-N 1 2 387.933 2.116 20 0 GEADLO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000560875087 651470893 /nfs/dbraw/zinc/47/08/93/651470893.db2.gz HWVZJKJDSQNIGF-GFCCVEGCSA-N 1 2 384.307 2.347 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000561513889 651479988 /nfs/dbraw/zinc/47/99/88/651479988.db2.gz ODGHEZRZEWTPML-LLVKDONJSA-N 1 2 384.299 2.322 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000561513889 651479990 /nfs/dbraw/zinc/47/99/90/651479990.db2.gz ODGHEZRZEWTPML-LLVKDONJSA-N 1 2 384.299 2.322 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCCc2ccc(Br)s2)CCO1 ZINC000726254148 651488239 /nfs/dbraw/zinc/48/82/39/651488239.db2.gz BVQKSHHJRABYIX-NSHDSACASA-N 1 2 376.320 2.073 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCc2ccc(Br)s2)CCO1 ZINC000726254148 651488252 /nfs/dbraw/zinc/48/82/52/651488252.db2.gz BVQKSHHJRABYIX-NSHDSACASA-N 1 2 376.320 2.073 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CCO1 ZINC000726712872 651499826 /nfs/dbraw/zinc/49/98/26/651499826.db2.gz PEMBITKKDHVRCZ-DAXOMENPSA-N 1 2 382.302 2.325 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CCO1 ZINC000726712872 651499828 /nfs/dbraw/zinc/49/98/28/651499828.db2.gz PEMBITKKDHVRCZ-DAXOMENPSA-N 1 2 382.302 2.325 20 0 GEADLO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc2[nH+]ccn2c1 ZINC000603882720 651501060 /nfs/dbraw/zinc/50/10/60/651501060.db2.gz WHEJTGRMQAAWRV-UHFFFAOYSA-N 1 2 399.204 2.332 20 0 GEADLO O=C(COc1cccc(I)c1)NCCCCn1cc[nH+]c1 ZINC000565296937 651591549 /nfs/dbraw/zinc/59/15/49/651591549.db2.gz VPGFDBJDOOTCOP-UHFFFAOYSA-N 1 2 399.232 2.463 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2Cl)CC[N@@H+]1CCOC ZINC000565297864 651592070 /nfs/dbraw/zinc/59/20/70/651592070.db2.gz UCTNRXQCPPXWNK-AWEZNQCLSA-N 1 2 390.933 2.470 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2Cl)CC[N@H+]1CCOC ZINC000565297864 651592075 /nfs/dbraw/zinc/59/20/75/651592075.db2.gz UCTNRXQCPPXWNK-AWEZNQCLSA-N 1 2 390.933 2.470 20 0 GEADLO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Br)c(O)c1 ZINC000566213371 651602999 /nfs/dbraw/zinc/60/29/99/651602999.db2.gz NRQNPAVEXUVMIK-UHFFFAOYSA-N 1 2 382.302 2.101 20 0 GEADLO O=C(NC1CCC([NH+]2CCNCC2)CC1)c1ccc(Br)c(O)c1 ZINC000566213371 651603002 /nfs/dbraw/zinc/60/30/02/651603002.db2.gz NRQNPAVEXUVMIK-UHFFFAOYSA-N 1 2 382.302 2.101 20 0 GEADLO Cc1cc(S(=O)(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)c(C)s1 ZINC000566859042 651615774 /nfs/dbraw/zinc/61/57/74/651615774.db2.gz MVOWXKMGWGJBSH-UHFFFAOYSA-N 1 2 379.511 2.186 20 0 GEADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000610676318 651677042 /nfs/dbraw/zinc/67/70/42/651677042.db2.gz WRHCPIFWJXYEAT-WFASDCNBSA-N 1 2 398.301 2.447 20 0 GEADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000610676318 651677048 /nfs/dbraw/zinc/67/70/48/651677048.db2.gz WRHCPIFWJXYEAT-WFASDCNBSA-N 1 2 398.301 2.447 20 0 GEADLO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000646652023 651710414 /nfs/dbraw/zinc/71/04/14/651710414.db2.gz URVZEOVOZOEGRN-LTIDMASMSA-N 1 2 379.298 2.283 20 0 GEADLO O=C(Nc1cc(I)ccc1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000611156702 651712019 /nfs/dbraw/zinc/71/20/19/651712019.db2.gz OWWSGGRUBGBPHE-SECBINFHSA-N 1 2 383.189 2.394 20 0 GEADLO CCOC(=O)C[C@@H](O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000611237605 651715492 /nfs/dbraw/zinc/71/54/92/651715492.db2.gz PTVQFEKOQSKZLP-OAHLLOKOSA-N 1 2 389.323 2.468 20 0 GEADLO CC(C)(CO)[NH+]1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000611515641 651727408 /nfs/dbraw/zinc/72/74/08/651727408.db2.gz IIMULZMMGIQRJG-UHFFFAOYSA-N 1 2 384.929 2.171 20 0 GEADLO Cn1cc(C[NH2+][C@@H]2CCCOc3ccc(I)cc32)nn1 ZINC000611973460 651739963 /nfs/dbraw/zinc/73/99/63/651739963.db2.gz FTMVTKGLMNDTND-CYBMUJFWSA-N 1 2 384.221 2.423 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000648009313 651769917 /nfs/dbraw/zinc/76/99/17/651769917.db2.gz BFJBQIOZPNANCF-SNVBAGLBSA-N 1 2 399.257 2.174 20 0 GEADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000648009313 651769918 /nfs/dbraw/zinc/76/99/18/651769918.db2.gz BFJBQIOZPNANCF-SNVBAGLBSA-N 1 2 399.257 2.174 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc(Br)cc2c1OCCO2 ZINC000613675614 651791881 /nfs/dbraw/zinc/79/18/81/651791881.db2.gz OFIMTWUBWDKCLH-NSHDSACASA-N 1 2 378.226 2.162 20 0 GEADLO Cn1nc2cc(Br)ccc2c1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000648759510 651800125 /nfs/dbraw/zinc/80/01/25/651800125.db2.gz HBMMDDAXIOKKDS-UHFFFAOYSA-N 1 2 395.301 2.176 20 0 GEADLO Cn1nc2cc(Br)ccc2c1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000648759510 651800127 /nfs/dbraw/zinc/80/01/27/651800127.db2.gz HBMMDDAXIOKKDS-UHFFFAOYSA-N 1 2 395.301 2.176 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000613994029 651807634 /nfs/dbraw/zinc/80/76/34/651807634.db2.gz HQYMLVNVRDKXDD-BPLDGKMQSA-N 1 2 392.297 2.254 20 0 GEADLO CC(C)(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1cccc(Cl)c1 ZINC000736557246 651825949 /nfs/dbraw/zinc/82/59/49/651825949.db2.gz GUARECHAMBRUMN-UHFFFAOYSA-N 1 2 386.945 2.243 20 0 GEADLO O=C(c1cccc(Br)c1O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614437221 651827414 /nfs/dbraw/zinc/82/74/14/651827414.db2.gz DAIBUJFJYXMRMD-ZDUSSCGKSA-N 1 2 383.286 2.482 20 0 GEADLO Cn1[nH]c([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(Cl)c(Cl)c2)nc1=N ZINC000649540613 651829926 /nfs/dbraw/zinc/82/99/26/651829926.db2.gz MICHQXXSSRMDMO-IINYFYTJSA-N 1 2 386.283 2.111 20 0 GEADLO Cn1[nH]c([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(Cl)c(Cl)c2)nc1=N ZINC000649540613 651829931 /nfs/dbraw/zinc/82/99/31/651829931.db2.gz MICHQXXSSRMDMO-IINYFYTJSA-N 1 2 386.283 2.111 20 0 GEADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615127792 651850715 /nfs/dbraw/zinc/85/07/15/651850715.db2.gz SZKZCHGXYQJPQJ-JSGCOSHPSA-N 1 2 391.269 2.283 20 0 GEADLO O=C(Nc1cccc(Br)c1Cl)C(=O)N1CCn2c[nH+]cc2C1 ZINC000571814502 651855582 /nfs/dbraw/zinc/85/55/82/651855582.db2.gz MZTVCKBRACRWIH-UHFFFAOYSA-N 1 2 383.633 2.280 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)CSc3cccc[n+]3[O-])CC2)s1 ZINC000737934411 651868542 /nfs/dbraw/zinc/86/85/42/651868542.db2.gz LLKZQUWICLFANS-UHFFFAOYSA-N 1 2 377.535 2.380 20 0 GEADLO C[N@H+](C[C@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000738060197 651878258 /nfs/dbraw/zinc/87/82/58/651878258.db2.gz APPONOMPRYWTEL-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO C[N@@H+](C[C@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000738060197 651878259 /nfs/dbraw/zinc/87/82/59/651878259.db2.gz APPONOMPRYWTEL-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO COCCOCC[NH+]1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000651485374 651882949 /nfs/dbraw/zinc/88/29/49/651882949.db2.gz YRYTUXIWQPYEAD-UHFFFAOYSA-N 1 2 378.698 2.283 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)c1cccnc1Cl)[NH+]1CCOCC1 ZINC000738352389 651891662 /nfs/dbraw/zinc/89/16/62/651891662.db2.gz LUEHWYRHHLXXDO-AWEZNQCLSA-N 1 2 375.922 2.150 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000572779550 651912118 /nfs/dbraw/zinc/91/21/18/651912118.db2.gz OLESYSRPEFZVAJ-NHYWBVRUSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000572779550 651912120 /nfs/dbraw/zinc/91/21/20/651912120.db2.gz OLESYSRPEFZVAJ-NHYWBVRUSA-N 1 2 391.269 2.051 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000652998718 651930962 /nfs/dbraw/zinc/93/09/62/651930962.db2.gz XKTCDOJAIJZLSX-UHFFFAOYSA-N 1 2 389.265 2.009 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cc(Cl)c(Cl)cc2OC)CC1 ZINC000653000182 651931679 /nfs/dbraw/zinc/93/16/79/651931679.db2.gz XMGUTGWDGDZDRA-UHFFFAOYSA-N 1 2 391.295 2.423 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCCS1)c1ccccc1Cl ZINC000573393396 651951760 /nfs/dbraw/zinc/95/17/60/651951760.db2.gz YDKXOAXHEFLOJL-MAUKXSAKSA-N 1 2 383.945 2.461 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCCS1)c1ccccc1Cl ZINC000573393399 651952689 /nfs/dbraw/zinc/95/26/89/651952689.db2.gz YDKXOAXHEFLOJL-YJBOKZPZSA-N 1 2 383.945 2.461 20 0 GEADLO CO[C@H](C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccccc1Br ZINC000653769563 651953254 /nfs/dbraw/zinc/95/32/54/651953254.db2.gz LPQUDXXTUYDGBZ-CJNGLKHVSA-N 1 2 385.302 2.316 20 0 GEADLO CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc3[nH+]ccn32)ccc1Cl ZINC000741740423 651957263 /nfs/dbraw/zinc/95/72/63/651957263.db2.gz QJXVGSITYMPXAO-UHFFFAOYSA-N 1 2 378.841 2.490 20 0 GEADLO CO[C@@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccccc1Br ZINC000653882999 651958945 /nfs/dbraw/zinc/95/89/45/651958945.db2.gz BKXCCVRBGZPEFR-OAHLLOKOSA-N 1 2 385.302 2.364 20 0 GEADLO CC(C)NC(=O)CNC(=S)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000741873156 651960409 /nfs/dbraw/zinc/96/04/09/651960409.db2.gz CDVPQNFITXLFKU-AWEZNQCLSA-N 1 2 382.961 2.418 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cc3c2OCCO3)[C@@H](C)CO1 ZINC000617721539 651966283 /nfs/dbraw/zinc/96/62/83/651966283.db2.gz QYCQCDZYSNQVTH-NWDGAFQWSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc3c2OCCO3)[C@@H](C)CO1 ZINC000617721539 651966288 /nfs/dbraw/zinc/96/62/88/651966288.db2.gz QYCQCDZYSNQVTH-NWDGAFQWSA-N 1 2 399.285 2.059 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000617720832 651966321 /nfs/dbraw/zinc/96/63/21/651966321.db2.gz IDHHJROJZOQWKB-NEPJUHHUSA-N 1 2 396.285 2.358 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000617720832 651966323 /nfs/dbraw/zinc/96/63/23/651966323.db2.gz IDHHJROJZOQWKB-NEPJUHHUSA-N 1 2 396.285 2.358 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)C2(c3cncc(Br)c3)CC2)[C@@H](C)CO1 ZINC000617722693 651966966 /nfs/dbraw/zinc/96/69/66/651966966.db2.gz CUHMYZNKEVLEOF-QWHCGFSZSA-N 1 2 382.302 2.101 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)C2(c3cncc(Br)c3)CC2)[C@@H](C)CO1 ZINC000617722693 651966974 /nfs/dbraw/zinc/96/69/74/651966974.db2.gz CUHMYZNKEVLEOF-QWHCGFSZSA-N 1 2 382.302 2.101 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617724056 651967209 /nfs/dbraw/zinc/96/72/09/651967209.db2.gz VCMZXYFCJRMXSH-VXGBXAGGSA-N 1 2 395.301 2.244 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617724056 651967217 /nfs/dbraw/zinc/96/72/17/651967217.db2.gz VCMZXYFCJRMXSH-VXGBXAGGSA-N 1 2 395.301 2.244 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)[C@@H](C)CO1 ZINC000617724351 651968058 /nfs/dbraw/zinc/96/80/58/651968058.db2.gz YRUHIDFKYYRDCZ-QWRGUYRKSA-N 1 2 391.256 2.495 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)[C@@H](C)CO1 ZINC000617724351 651968067 /nfs/dbraw/zinc/96/80/67/651968067.db2.gz YRUHIDFKYYRDCZ-QWRGUYRKSA-N 1 2 391.256 2.495 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617733967 651968820 /nfs/dbraw/zinc/96/88/20/651968820.db2.gz YFZSIUZGHALTDW-MCIONIFRSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@H](Oc1cccc(Br)c1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617733967 651968836 /nfs/dbraw/zinc/96/88/36/651968836.db2.gz YFZSIUZGHALTDW-MCIONIFRSA-N 1 2 385.302 2.442 20 0 GEADLO COc1ccc(Br)cc1CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617734053 651969147 /nfs/dbraw/zinc/96/91/47/651969147.db2.gz ZNFMUZJSZZFYMT-STQMWFEESA-N 1 2 385.302 2.226 20 0 GEADLO COc1ccc(Br)cc1CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617734053 651969154 /nfs/dbraw/zinc/96/91/54/651969154.db2.gz ZNFMUZJSZZFYMT-STQMWFEESA-N 1 2 385.302 2.226 20 0 GEADLO COc1ccc(Br)cc1CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617734050 651969280 /nfs/dbraw/zinc/96/92/80/651969280.db2.gz ZNFMUZJSZZFYMT-CHWSQXEVSA-N 1 2 385.302 2.226 20 0 GEADLO COc1ccc(Br)cc1CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617734050 651969289 /nfs/dbraw/zinc/96/92/89/651969289.db2.gz ZNFMUZJSZZFYMT-CHWSQXEVSA-N 1 2 385.302 2.226 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)[C@@H](C)CO1 ZINC000617739962 651969675 /nfs/dbraw/zinc/96/96/75/651969675.db2.gz ABIYVXMEOMSLMY-QWHCGFSZSA-N 1 2 395.297 2.450 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)C2=Cc3cc(Br)ccc3OC2)[C@@H](C)CO1 ZINC000617739962 651969678 /nfs/dbraw/zinc/96/96/78/651969678.db2.gz ABIYVXMEOMSLMY-QWHCGFSZSA-N 1 2 395.297 2.450 20 0 GEADLO C[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C1(S(C)(=O)=O)CC1 ZINC000573731828 651976527 /nfs/dbraw/zinc/97/65/27/651976527.db2.gz MTCBATUAAJGIEE-NSHDSACASA-N 1 2 399.314 2.085 20 0 GEADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1nn(C)cc1Br)C2 ZINC000574130166 652002813 /nfs/dbraw/zinc/00/28/13/652002813.db2.gz PACARCLQINFGHM-SNVBAGLBSA-N 1 2 380.290 2.450 20 0 GEADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1nn(C)cc1Br)CC2 ZINC000574130166 652002817 /nfs/dbraw/zinc/00/28/17/652002817.db2.gz PACARCLQINFGHM-SNVBAGLBSA-N 1 2 380.290 2.450 20 0 GEADLO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)CCCn1cc[nH+]c1 ZINC000742954248 652006127 /nfs/dbraw/zinc/00/61/27/652006127.db2.gz HXEGURFJDICSAH-UHFFFAOYSA-N 1 2 385.873 2.379 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=S)NCc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000742992041 652007635 /nfs/dbraw/zinc/00/76/35/652007635.db2.gz GEFZGNCRPKOJKC-GFCCVEGCSA-N 1 2 377.432 2.270 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=S)NCc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000742992041 652007641 /nfs/dbraw/zinc/00/76/41/652007641.db2.gz GEFZGNCRPKOJKC-GFCCVEGCSA-N 1 2 377.432 2.270 20 0 GEADLO COc1cc(Br)ccc1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000655822264 652012958 /nfs/dbraw/zinc/01/29/58/652012958.db2.gz ZEGIOSCIZOASEX-GASCZTMLSA-N 1 2 398.301 2.120 20 0 GEADLO COc1cc(Br)ccc1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000655822264 652012970 /nfs/dbraw/zinc/01/29/70/652012970.db2.gz ZEGIOSCIZOASEX-GASCZTMLSA-N 1 2 398.301 2.120 20 0 GEADLO Brc1cccc2c1CN(c1cc(N3CCOCC3)[nH+]cn1)CCO2 ZINC000656222465 652027207 /nfs/dbraw/zinc/02/72/07/652027207.db2.gz KXADYAIWUGXTQX-UHFFFAOYSA-N 1 2 391.269 2.475 20 0 GEADLO Brc1cccc2c1CN(c1cc(N3CCOCC3)nc[nH+]1)CCO2 ZINC000656222465 652027212 /nfs/dbraw/zinc/02/72/12/652027212.db2.gz KXADYAIWUGXTQX-UHFFFAOYSA-N 1 2 391.269 2.475 20 0 GEADLO CC1(C[NH+]2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)COC1 ZINC000743839700 652028377 /nfs/dbraw/zinc/02/83/77/652028377.db2.gz UAGIUWFXPAJNTO-UHFFFAOYSA-N 1 2 378.416 2.048 20 0 GEADLO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000656255402 652029074 /nfs/dbraw/zinc/02/90/74/652029074.db2.gz MHXGPJQODPPMPT-MRXNPFEDSA-N 1 2 390.285 2.153 20 0 GEADLO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000656255402 652029081 /nfs/dbraw/zinc/02/90/81/652029081.db2.gz MHXGPJQODPPMPT-MRXNPFEDSA-N 1 2 390.285 2.153 20 0 GEADLO [NH3+][C@H](C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1cscn1 ZINC000574634953 652032541 /nfs/dbraw/zinc/03/25/41/652032541.db2.gz VXDQOSYUQFCSDD-JTQLQIEISA-N 1 2 379.795 2.438 20 0 GEADLO N[C@](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)(c1cccc(Cl)c1)C(F)(F)F ZINC000574755087 652041329 /nfs/dbraw/zinc/04/13/29/652041329.db2.gz XALWFUFXOMZOJR-HZMBPMFUSA-N 1 2 385.764 2.417 20 0 GEADLO C[C@@H](NCc1c(F)ccc(I)c1F)[C@H]1C[N@H+](C)CCO1 ZINC000619427694 652058122 /nfs/dbraw/zinc/05/81/22/652058122.db2.gz AEWQEUCXKWHXDJ-NOZJJQNGSA-N 1 2 396.219 2.378 20 0 GEADLO C[C@@H](NCc1c(F)ccc(I)c1F)[C@H]1C[N@@H+](C)CCO1 ZINC000619427694 652058128 /nfs/dbraw/zinc/05/81/28/652058128.db2.gz AEWQEUCXKWHXDJ-NOZJJQNGSA-N 1 2 396.219 2.378 20 0 GEADLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ncccc2Br)C1 ZINC000656989573 652083203 /nfs/dbraw/zinc/08/32/03/652083203.db2.gz YKRWNHQWAHFNNY-UHFFFAOYSA-N 1 2 396.310 2.349 20 0 GEADLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ncccc2Br)C1 ZINC000656989573 652083211 /nfs/dbraw/zinc/08/32/11/652083211.db2.gz YKRWNHQWAHFNNY-UHFFFAOYSA-N 1 2 396.310 2.349 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc(Cl)ccc2OC(F)F)CCO1 ZINC000745791044 652086119 /nfs/dbraw/zinc/08/61/19/652086119.db2.gz HSJWOYABOBDSTK-LLVKDONJSA-N 1 2 377.819 2.461 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(Cl)ccc2OC(F)F)CCO1 ZINC000745791044 652086125 /nfs/dbraw/zinc/08/61/25/652086125.db2.gz HSJWOYABOBDSTK-LLVKDONJSA-N 1 2 377.819 2.461 20 0 GEADLO C[C@H]1CCC[N@H+](CCNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000620214520 652095880 /nfs/dbraw/zinc/09/58/80/652095880.db2.gz KTCWOQBRACVIHI-AWEZNQCLSA-N 1 2 384.929 2.494 20 0 GEADLO C[C@H]1CCC[N@@H+](CCNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000620214520 652095885 /nfs/dbraw/zinc/09/58/85/652095885.db2.gz KTCWOQBRACVIHI-AWEZNQCLSA-N 1 2 384.929 2.494 20 0 GEADLO COc1ccc(-c2nc(CN3CC[NH+](CC[S@@](C)=O)CC3)cs2)cc1 ZINC000746472881 652109965 /nfs/dbraw/zinc/10/99/65/652109965.db2.gz HMUWSCWKQCMRNK-RUZDIDTESA-N 1 2 379.551 2.315 20 0 GEADLO COc1ccccc1-c1nc(CN2CC[NH+](CC[S@](C)=O)CC2)cs1 ZINC000746472271 652110008 /nfs/dbraw/zinc/11/00/08/652110008.db2.gz DBTCXYYMQUGVOV-VWLOTQADSA-N 1 2 379.551 2.315 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000576715266 652139483 /nfs/dbraw/zinc/13/94/83/652139483.db2.gz HWFZJCPRZBJPQG-AAEUAGOBSA-N 1 2 398.276 2.457 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000576715266 652139490 /nfs/dbraw/zinc/13/94/90/652139490.db2.gz HWFZJCPRZBJPQG-AAEUAGOBSA-N 1 2 398.276 2.457 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2c(Cl)cccc2Cl)CC1 ZINC000747224081 652149728 /nfs/dbraw/zinc/14/97/28/652149728.db2.gz SLFAHDKXWUHTFD-UHFFFAOYSA-N 1 2 379.309 2.232 20 0 GEADLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@@H]1CO ZINC000621366327 652152121 /nfs/dbraw/zinc/15/21/21/652152121.db2.gz JMTIYSOZRGNSGF-CHWSQXEVSA-N 1 2 376.316 2.173 20 0 GEADLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@@H]1CO ZINC000621366327 652152126 /nfs/dbraw/zinc/15/21/26/652152126.db2.gz JMTIYSOZRGNSGF-CHWSQXEVSA-N 1 2 376.316 2.173 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)n1 ZINC000657342010 652161945 /nfs/dbraw/zinc/16/19/45/652161945.db2.gz PXTZNOVUFKVEMY-UHFFFAOYSA-N 1 2 395.305 2.100 20 0 GEADLO Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)c(C)c[nH+]1 ZINC000747525122 652167840 /nfs/dbraw/zinc/16/78/40/652167840.db2.gz ICNGQTXRTGYEQC-UHFFFAOYSA-N 1 2 379.869 2.420 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cc2c(cc1Br)OCO2)[NH+]1CCOCC1 ZINC000621856795 652169428 /nfs/dbraw/zinc/16/94/28/652169428.db2.gz DRQUYBVMCJQQGJ-WDEREUQCSA-N 1 2 385.258 2.017 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000657640637 652184241 /nfs/dbraw/zinc/18/42/41/652184241.db2.gz YVSRFZIGSWLICU-YPMHNXCESA-N 1 2 379.931 2.189 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc3c(cc2Br)OCO3)[C@@H](C)CO1 ZINC000622143596 652185683 /nfs/dbraw/zinc/18/56/83/652185683.db2.gz BNHHJLFMRRSHQO-QWRGUYRKSA-N 1 2 385.258 2.017 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc3c(cc2Br)OCO3)[C@@H](C)CO1 ZINC000622143596 652185687 /nfs/dbraw/zinc/18/56/87/652185687.db2.gz BNHHJLFMRRSHQO-QWRGUYRKSA-N 1 2 385.258 2.017 20 0 GEADLO [NH3+][C@@H](C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)c1cscn1 ZINC000577489168 652192380 /nfs/dbraw/zinc/19/23/80/652192380.db2.gz NYIOROQLPSHPDX-QMTHXVAHSA-N 1 2 381.299 2.301 20 0 GEADLO S=C1N=NC(Cc2cccs2)N1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000748269100 652197315 /nfs/dbraw/zinc/19/73/15/652197315.db2.gz WYSOHSQUHAIQAH-CQSZACIVSA-N 1 2 380.539 2.447 20 0 GEADLO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000657806891 652207873 /nfs/dbraw/zinc/20/78/73/652207873.db2.gz GFSHASDRIWPVCZ-SNVBAGLBSA-N 1 2 395.232 2.163 20 0 GEADLO O=S(=O)(c1cc(Br)sc1Cl)N1CC[NH2+]C[C@H]1C(F)F ZINC000577869344 652224581 /nfs/dbraw/zinc/22/45/81/652224581.db2.gz FYBGRERKXVAAFL-YFKPBYRVSA-N 1 2 395.678 2.392 20 0 GEADLO O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623281522 652231088 /nfs/dbraw/zinc/23/10/88/652231088.db2.gz XFOHTDVROVGNHZ-LBPRGKRZSA-N 1 2 375.841 2.420 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(Br)cc2c1OCCO2 ZINC000623296072 652232980 /nfs/dbraw/zinc/23/29/80/652232980.db2.gz AMHCWNICFDUOBN-LLVKDONJSA-N 1 2 378.226 2.162 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1cc(F)c(Br)cc1F ZINC000623425235 652237039 /nfs/dbraw/zinc/23/70/39/652237039.db2.gz VWKAGVSHYVNDOM-SNVBAGLBSA-N 1 2 392.244 2.247 20 0 GEADLO Cc1cc(CNc2cnn(CC[NH+]3CCOCC3)c2)ncc1Br ZINC000623475924 652240416 /nfs/dbraw/zinc/24/04/16/652240416.db2.gz FBUKDZQDQDAHDK-UHFFFAOYSA-N 1 2 380.290 2.293 20 0 GEADLO CSCCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000578159394 652248932 /nfs/dbraw/zinc/24/89/32/652248932.db2.gz DASOXWXSUMQCOB-JKSUJKDBSA-N 1 2 383.945 2.413 20 0 GEADLO CSCCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000578159394 652248940 /nfs/dbraw/zinc/24/89/40/652248940.db2.gz DASOXWXSUMQCOB-JKSUJKDBSA-N 1 2 383.945 2.413 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000623645106 652251216 /nfs/dbraw/zinc/25/12/16/652251216.db2.gz OIPAHXWXOKIVNZ-QGZVFWFLSA-N 1 2 394.317 2.200 20 0 GEADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N(CCO)Cc1cc(Br)ccc1F ZINC000578654950 652286653 /nfs/dbraw/zinc/28/66/53/652286653.db2.gz NLXMUXSNAXCQQR-GFCCVEGCSA-N 1 2 396.260 2.368 20 0 GEADLO O=C(NCCCc1cccs1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000578746959 652290612 /nfs/dbraw/zinc/29/06/12/652290612.db2.gz PGOFJOPIJLNJFD-UHFFFAOYSA-N 1 2 377.535 2.033 20 0 GEADLO O=C(NCCCc1cccs1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000578746959 652290618 /nfs/dbraw/zinc/29/06/18/652290618.db2.gz PGOFJOPIJLNJFD-UHFFFAOYSA-N 1 2 377.535 2.033 20 0 GEADLO Cn1ncc(Br)c1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000578833029 652297591 /nfs/dbraw/zinc/29/75/91/652297591.db2.gz ZPVTUIBECBPUNK-UHFFFAOYSA-N 1 2 383.212 2.073 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000578885044 652301396 /nfs/dbraw/zinc/30/13/96/652301396.db2.gz ZXLDHXPEONOKOC-CYBMUJFWSA-N 1 2 388.917 2.222 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000578885044 652301415 /nfs/dbraw/zinc/30/14/15/652301415.db2.gz ZXLDHXPEONOKOC-CYBMUJFWSA-N 1 2 388.917 2.222 20 0 GEADLO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000625328831 652343308 /nfs/dbraw/zinc/34/33/08/652343308.db2.gz ZKTGSKSUNILDLJ-WBVHZDCISA-N 1 2 381.270 2.194 20 0 GEADLO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000625328831 652343309 /nfs/dbraw/zinc/34/33/09/652343309.db2.gz ZKTGSKSUNILDLJ-WBVHZDCISA-N 1 2 381.270 2.194 20 0 GEADLO OCCOCC[N@H+](CCO)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000625467857 652347644 /nfs/dbraw/zinc/34/76/44/652347644.db2.gz NKSAVCIAZAEMRB-UHFFFAOYSA-N 1 2 375.252 2.452 20 0 GEADLO OCCOCC[N@@H+](CCO)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000625467857 652347648 /nfs/dbraw/zinc/34/76/48/652347648.db2.gz NKSAVCIAZAEMRB-UHFFFAOYSA-N 1 2 375.252 2.452 20 0 GEADLO Cc1nc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)s1 ZINC000751787616 652367116 /nfs/dbraw/zinc/36/71/16/652367116.db2.gz XWSKOUKVYOGXFW-UHFFFAOYSA-N 1 2 379.507 2.323 20 0 GEADLO C[N@H+](Cc1coc(S(N)(=O)=O)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000659854633 652368040 /nfs/dbraw/zinc/36/80/40/652368040.db2.gz XKVHHGHUSZNIIR-UKRRQHHQSA-N 1 2 391.276 2.324 20 0 GEADLO C[N@@H+](Cc1coc(S(N)(=O)=O)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000659854633 652368043 /nfs/dbraw/zinc/36/80/43/652368043.db2.gz XKVHHGHUSZNIIR-UKRRQHHQSA-N 1 2 391.276 2.324 20 0 GEADLO CO[C@@H]1CC[N@H+](CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000751941269 652372550 /nfs/dbraw/zinc/37/25/50/652372550.db2.gz MIGRDHCWFCFNDT-PBHICJAKSA-N 1 2 381.270 2.144 20 0 GEADLO CO[C@@H]1CC[N@@H+](CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000751941269 652372555 /nfs/dbraw/zinc/37/25/55/652372555.db2.gz MIGRDHCWFCFNDT-PBHICJAKSA-N 1 2 381.270 2.144 20 0 GEADLO CNC(=O)CC1CC[NH+](CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000659977600 652375520 /nfs/dbraw/zinc/37/55/20/652375520.db2.gz SKKCWIOKFNMWSJ-UHFFFAOYSA-N 1 2 393.285 2.356 20 0 GEADLO O=S(=O)(Cc1cccc(Cl)c1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000660036107 652376389 /nfs/dbraw/zinc/37/63/89/652376389.db2.gz IXVJVBTXXZPMTQ-IAGOWNOFSA-N 1 2 384.929 2.403 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000626168705 652382975 /nfs/dbraw/zinc/38/29/75/652382975.db2.gz XOOXZKMHPNEQNM-LLVKDONJSA-N 1 2 394.324 2.193 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000626168705 652382977 /nfs/dbraw/zinc/38/29/77/652382977.db2.gz XOOXZKMHPNEQNM-LLVKDONJSA-N 1 2 394.324 2.193 20 0 GEADLO CCCS(=O)(=O)CC[N@@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000752355683 652384904 /nfs/dbraw/zinc/38/49/04/652384904.db2.gz RNBSSOYXLHRRCL-HNNXBMFYSA-N 1 2 389.587 2.183 20 0 GEADLO CCCS(=O)(=O)CC[N@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000752355683 652384906 /nfs/dbraw/zinc/38/49/06/652384906.db2.gz RNBSSOYXLHRRCL-HNNXBMFYSA-N 1 2 389.587 2.183 20 0 GEADLO COc1cccc(SCC[N@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000660134057 652389461 /nfs/dbraw/zinc/38/94/61/652389461.db2.gz FLYQHGCFCQMIHF-NVXWUHKLSA-N 1 2 385.551 2.455 20 0 GEADLO COc1cccc(SCC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000660134057 652389463 /nfs/dbraw/zinc/38/94/63/652389463.db2.gz FLYQHGCFCQMIHF-NVXWUHKLSA-N 1 2 385.551 2.455 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1nc2ccsc2s1 ZINC000626390797 652390914 /nfs/dbraw/zinc/39/09/14/652390914.db2.gz AYOAMGNKKUTWFC-INIZCTEOSA-N 1 2 382.511 2.095 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1nc2ccsc2s1 ZINC000626390797 652390918 /nfs/dbraw/zinc/39/09/18/652390918.db2.gz AYOAMGNKKUTWFC-INIZCTEOSA-N 1 2 382.511 2.095 20 0 GEADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660388662 652400818 /nfs/dbraw/zinc/40/08/18/652400818.db2.gz CDICYIXOEFZVDJ-OSQNNJELSA-N 1 2 391.269 2.094 20 0 GEADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660388662 652400821 /nfs/dbraw/zinc/40/08/21/652400821.db2.gz CDICYIXOEFZVDJ-OSQNNJELSA-N 1 2 391.269 2.094 20 0 GEADLO O=C(NCCc1ccccc1Br)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660510420 652405323 /nfs/dbraw/zinc/40/53/23/652405323.db2.gz AGQWYXPWXWLEOX-OAHLLOKOSA-N 1 2 382.302 2.108 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)Cc1ccc(I)cc1 ZINC000753456511 652408384 /nfs/dbraw/zinc/40/83/84/652408384.db2.gz GXFKWKQFWCZIAF-LBPRGKRZSA-N 1 2 389.233 2.098 20 0 GEADLO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+]2CCOC[C@H](O)C2)C1=O ZINC000581410712 652412030 /nfs/dbraw/zinc/41/20/30/652412030.db2.gz IRRUJQXVSAMAHI-HZPDHXFCSA-N 1 2 397.313 2.254 20 0 GEADLO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+]2CCOC[C@H](O)C2)C1=O ZINC000581410712 652412032 /nfs/dbraw/zinc/41/20/32/652412032.db2.gz IRRUJQXVSAMAHI-HZPDHXFCSA-N 1 2 397.313 2.254 20 0 GEADLO CCN(CCS(C)(=O)=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000753646440 652412420 /nfs/dbraw/zinc/41/24/20/652412420.db2.gz BQWDLUFXUDMJMN-HNNXBMFYSA-N 1 2 375.922 2.019 20 0 GEADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000581579828 652417362 /nfs/dbraw/zinc/41/73/62/652417362.db2.gz SDAMQROHNCRQQR-CQSZACIVSA-N 1 2 388.265 2.378 20 0 GEADLO NC(=O)[C@@H]1CC[C@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000581616036 652418870 /nfs/dbraw/zinc/41/88/70/652418870.db2.gz AMKPPNWZBAAFQX-ZIAGYGMSSA-N 1 2 384.307 2.192 20 0 GEADLO COCc1nc(C[NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)cs1 ZINC000581972924 652429831 /nfs/dbraw/zinc/42/98/31/652429831.db2.gz OQAQJAFXLHNVBA-UHFFFAOYSA-N 1 2 385.873 2.105 20 0 GEADLO CSc1ccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)cc1Br ZINC000627579718 652433269 /nfs/dbraw/zinc/43/32/69/652433269.db2.gz QGKDEMXHMNAXTR-UHFFFAOYSA-N 1 2 395.282 2.348 20 0 GEADLO C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C[C@@H]1COCCO1 ZINC000661611157 652435725 /nfs/dbraw/zinc/43/57/25/652435725.db2.gz VOMKSQPWDQIGER-SNVBAGLBSA-N 1 2 379.201 2.013 20 0 GEADLO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C[C@@H]1COCCO1 ZINC000661611157 652435729 /nfs/dbraw/zinc/43/57/29/652435729.db2.gz VOMKSQPWDQIGER-SNVBAGLBSA-N 1 2 379.201 2.013 20 0 GEADLO C[C@H]1C[NH+](CCS(=O)(=O)c2cccc(Br)c2)C[C@H](C)C1O ZINC000661631907 652436155 /nfs/dbraw/zinc/43/61/55/652436155.db2.gz RNQWYXGQNSLXNE-RYUDHWBXSA-N 1 2 376.316 2.172 20 0 GEADLO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2c[nH+]cn2C)c1 ZINC000754686679 652442602 /nfs/dbraw/zinc/44/26/02/652442602.db2.gz JXVPVCHCBUQOAC-UHFFFAOYSA-N 1 2 385.873 2.459 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)ccc1Br ZINC000662015222 652445063 /nfs/dbraw/zinc/44/50/63/652445063.db2.gz SZDGFMAGGTYLFR-CQSZACIVSA-N 1 2 397.317 2.384 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)ccc1Br ZINC000662015222 652445065 /nfs/dbraw/zinc/44/50/65/652445065.db2.gz SZDGFMAGGTYLFR-CQSZACIVSA-N 1 2 397.317 2.384 20 0 GEADLO Cc1ncc(S(=O)(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)s1 ZINC000754804375 652447137 /nfs/dbraw/zinc/44/71/37/652447137.db2.gz FXMVOVLOLARPHJ-UHFFFAOYSA-N 1 2 380.539 2.465 20 0 GEADLO CC1(C)NC(=O)N(CCC[N@@H+]2CCOc3cc(Br)ccc3C2)C1=O ZINC000662200394 652451518 /nfs/dbraw/zinc/45/15/18/652451518.db2.gz ICPULZRESPETBQ-UHFFFAOYSA-N 1 2 396.285 2.364 20 0 GEADLO CC1(C)NC(=O)N(CCC[N@H+]2CCOc3cc(Br)ccc3C2)C1=O ZINC000662200394 652451522 /nfs/dbraw/zinc/45/15/22/652451522.db2.gz ICPULZRESPETBQ-UHFFFAOYSA-N 1 2 396.285 2.364 20 0 GEADLO O=C(c1[nH]nc2ccc(Br)cc21)N1CCC([NH+]2CCOCC2)CC1 ZINC000628125661 652452408 /nfs/dbraw/zinc/45/24/08/652452408.db2.gz JCGNOXQLKMZKDV-UHFFFAOYSA-N 1 2 393.285 2.262 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000628495960 652459577 /nfs/dbraw/zinc/45/95/77/652459577.db2.gz FAWPRPVPXILYOR-SNVBAGLBSA-N 1 2 397.360 2.280 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000628495960 652459581 /nfs/dbraw/zinc/45/95/81/652459581.db2.gz FAWPRPVPXILYOR-SNVBAGLBSA-N 1 2 397.360 2.280 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628679278 652467667 /nfs/dbraw/zinc/46/76/67/652467667.db2.gz SBPAYHHYKSWWEK-KZULUSFZSA-N 1 2 392.297 2.387 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000628679278 652467670 /nfs/dbraw/zinc/46/76/70/652467670.db2.gz SBPAYHHYKSWWEK-KZULUSFZSA-N 1 2 392.297 2.387 20 0 GEADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000629168677 652480459 /nfs/dbraw/zinc/48/04/59/652480459.db2.gz LYQAAAWPROOYLV-GFCCVEGCSA-N 1 2 399.925 2.308 20 0 GEADLO O=C(NCCc1ccccc1Br)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583485032 652486628 /nfs/dbraw/zinc/48/66/28/652486628.db2.gz XTTYKKURENSJAZ-GASCZTMLSA-N 1 2 382.302 2.154 20 0 GEADLO O=C(NCCc1ccccc1Br)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583485032 652486633 /nfs/dbraw/zinc/48/66/33/652486633.db2.gz XTTYKKURENSJAZ-GASCZTMLSA-N 1 2 382.302 2.154 20 0 GEADLO O=S(=O)(CCc1cccc(Cl)c1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000583887719 652501509 /nfs/dbraw/zinc/50/15/09/652501509.db2.gz BNHNTLWYYQZDNS-QZTJIDSGSA-N 1 2 386.945 2.445 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000584003249 652505675 /nfs/dbraw/zinc/50/56/75/652505675.db2.gz ZXHWOYYUFGTWCR-MRXNPFEDSA-N 1 2 396.329 2.493 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000584003249 652505677 /nfs/dbraw/zinc/50/56/77/652505677.db2.gz ZXHWOYYUFGTWCR-MRXNPFEDSA-N 1 2 396.329 2.493 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000584003249 652505680 /nfs/dbraw/zinc/50/56/80/652505680.db2.gz ZXHWOYYUFGTWCR-MRXNPFEDSA-N 1 2 396.329 2.493 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1)c1ccsc1 ZINC000663622228 652507003 /nfs/dbraw/zinc/50/70/03/652507003.db2.gz XSHYXIUFGXRNCB-FVQBIDKESA-N 1 2 387.571 2.396 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2csc(Br)c2)[C@@H](C)CO1 ZINC000663705654 652509615 /nfs/dbraw/zinc/50/96/15/652509615.db2.gz UEHUXFLIIJJLQB-QWRGUYRKSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2csc(Br)c2)[C@@H](C)CO1 ZINC000663705654 652509618 /nfs/dbraw/zinc/50/96/18/652509618.db2.gz UEHUXFLIIJJLQB-QWRGUYRKSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCc1ccccc1Br ZINC000663870765 652514380 /nfs/dbraw/zinc/51/43/80/652514380.db2.gz IZMHWUIACHYTMS-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCc1ccccc1Br ZINC000663870765 652514384 /nfs/dbraw/zinc/51/43/84/652514384.db2.gz IZMHWUIACHYTMS-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO COc1cc(Br)ccc1C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631114587 652520568 /nfs/dbraw/zinc/52/05/68/652520568.db2.gz FXFPEBCAKMDUPN-GFCCVEGCSA-N 1 2 381.274 2.376 20 0 GEADLO COc1cc(Br)ccc1C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631114590 652520673 /nfs/dbraw/zinc/52/06/73/652520673.db2.gz FXFPEBCAKMDUPN-LBPRGKRZSA-N 1 2 381.274 2.376 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCN(c3ccc(Br)cc3)CC2)nc[nH+]1 ZINC000664325196 652526781 /nfs/dbraw/zinc/52/67/81/652526781.db2.gz IBAMFOYQFKJCOU-CYBMUJFWSA-N 1 2 392.301 2.358 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCN(c3ccc(Br)cc3)CC2)[nH+]cn1 ZINC000664325196 652526784 /nfs/dbraw/zinc/52/67/84/652526784.db2.gz IBAMFOYQFKJCOU-CYBMUJFWSA-N 1 2 392.301 2.358 20 0 GEADLO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)Nc1ccn2cc[nH+]c2c1 ZINC000584810868 652530337 /nfs/dbraw/zinc/53/03/37/652530337.db2.gz UUWYJBRSAHGPKZ-UHFFFAOYSA-N 1 2 399.885 2.149 20 0 GEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(I)ccc1F ZINC000587050858 652544177 /nfs/dbraw/zinc/54/41/77/652544177.db2.gz DZTAUYJZLNEUOB-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(F)c(I)c1 ZINC000587036039 652544270 /nfs/dbraw/zinc/54/42/70/652544270.db2.gz FTEPCEBEEUANSQ-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(F)ccc1I ZINC000587056589 652544288 /nfs/dbraw/zinc/54/42/88/652544288.db2.gz JPJCXOPJLZHGKX-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO C[C@@H](NS(=O)(=O)C[C@@H]1CCC(F)(F)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000632086695 652550599 /nfs/dbraw/zinc/55/05/99/652550599.db2.gz RGIIGSPYJGXXJW-HUUCEWRRSA-N 1 2 380.501 2.375 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000758663804 652551097 /nfs/dbraw/zinc/55/10/97/652551097.db2.gz ZNLZNKSWFAGLMU-WBMJQRKESA-N 1 2 390.311 2.437 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000758663804 652551099 /nfs/dbraw/zinc/55/10/99/652551099.db2.gz ZNLZNKSWFAGLMU-WBMJQRKESA-N 1 2 390.311 2.437 20 0 GEADLO COc1ccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1 ZINC000665952801 652565483 /nfs/dbraw/zinc/56/54/83/652565483.db2.gz XSOFMRDFVGUYIG-LBPRGKRZSA-N 1 2 384.274 2.396 20 0 GEADLO C[C@@H]1CC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CS1(=O)=O ZINC000666374907 652573950 /nfs/dbraw/zinc/57/39/50/652573950.db2.gz OYBUCRZBEJXEDS-DAXOMENPSA-N 1 2 387.933 2.208 20 0 GEADLO O=S(=O)(Cc1ccc(F)cc1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680952 652574684 /nfs/dbraw/zinc/57/46/84/652574684.db2.gz GQOVMQGSDWUIPX-UHFFFAOYSA-N 1 2 381.498 2.394 20 0 GEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(I)cc1F ZINC000590758954 652580684 /nfs/dbraw/zinc/58/06/84/652580684.db2.gz DUKBHRJWKMAMAM-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000633092467 652585641 /nfs/dbraw/zinc/58/56/41/652585641.db2.gz OCRUVIQLMMNWJF-QQDQCYIDSA-N 1 2 394.313 2.107 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000633092467 652585645 /nfs/dbraw/zinc/58/56/45/652585645.db2.gz OCRUVIQLMMNWJF-QQDQCYIDSA-N 1 2 394.313 2.107 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000592206330 652591733 /nfs/dbraw/zinc/59/17/33/652591733.db2.gz YXDVNUOSHZJQLQ-ZJUUUORDSA-N 1 2 386.235 2.399 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000592206330 652591739 /nfs/dbraw/zinc/59/17/39/652591739.db2.gz YXDVNUOSHZJQLQ-ZJUUUORDSA-N 1 2 386.235 2.399 20 0 GEADLO C[C@@H](Cc1ccccc1Br)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000760167645 652597323 /nfs/dbraw/zinc/59/73/23/652597323.db2.gz WTBRVSBWLRYILN-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](Cc1ccccc1Br)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000760167645 652597326 /nfs/dbraw/zinc/59/73/26/652597326.db2.gz WTBRVSBWLRYILN-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Cc2csc(CCC(F)(F)F)n2)[C@@H](C)CO1 ZINC000633618438 652603979 /nfs/dbraw/zinc/60/39/79/652603979.db2.gz PVFFFPYDTPUTSO-RYUDHWBXSA-N 1 2 379.448 2.406 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Cc2csc(CCC(F)(F)F)n2)[C@@H](C)CO1 ZINC000633618438 652603985 /nfs/dbraw/zinc/60/39/85/652603985.db2.gz PVFFFPYDTPUTSO-RYUDHWBXSA-N 1 2 379.448 2.406 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cc(Br)cc2c1OCCO2)[NH+]1CCOCC1 ZINC000668320414 652638104 /nfs/dbraw/zinc/63/81/04/652638104.db2.gz ZUAWSYZIPPRHMX-NWDGAFQWSA-N 1 2 399.285 2.059 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)c1F ZINC000594443958 652650482 /nfs/dbraw/zinc/65/04/82/652650482.db2.gz KRCGKVQLDUXGEW-UHFFFAOYSA-N 1 2 392.880 2.228 20 0 GEADLO O=S(=O)(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(OC(F)F)c(Cl)c1 ZINC000634660903 652651826 /nfs/dbraw/zinc/65/18/26/652651826.db2.gz FEJCXHPRZGMJEG-SECBINFHSA-N 1 2 377.800 2.431 20 0 GEADLO COc1ccc(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)c(Cl)c1Cl ZINC000634661542 652652634 /nfs/dbraw/zinc/65/26/34/652652634.db2.gz VIUUVBIOAUJMHV-VIFPVBQESA-N 1 2 376.265 2.492 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c(Br)c1O ZINC000668687995 652660162 /nfs/dbraw/zinc/66/01/62/652660162.db2.gz IVBZDEOQTHMPMK-LBPRGKRZSA-N 1 2 386.290 2.351 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c(Br)c1O ZINC000668687995 652660166 /nfs/dbraw/zinc/66/01/66/652660166.db2.gz IVBZDEOQTHMPMK-LBPRGKRZSA-N 1 2 386.290 2.351 20 0 GEADLO COc1cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc(Cl)c1OCC(N)=O ZINC000634735579 652661223 /nfs/dbraw/zinc/66/12/23/652661223.db2.gz KRCPCWVYWZYMBO-GFCCVEGCSA-N 1 2 378.803 2.069 20 0 GEADLO COc1cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)cc(Cl)c1OCC(N)=O ZINC000634735579 652661232 /nfs/dbraw/zinc/66/12/32/652661232.db2.gz KRCPCWVYWZYMBO-GFCCVEGCSA-N 1 2 378.803 2.069 20 0 GEADLO C[C@H]([C@@H]1C[N@H+](C)CCO1)N1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000762170365 652678180 /nfs/dbraw/zinc/67/81/80/652678180.db2.gz LPGZSZBXEDKDPQ-OVWKYPIYSA-N 1 2 386.279 2.480 20 0 GEADLO C[C@H]([C@@H]1C[N@@H+](C)CCO1)N1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000762170365 652678189 /nfs/dbraw/zinc/67/81/89/652678189.db2.gz LPGZSZBXEDKDPQ-OVWKYPIYSA-N 1 2 386.279 2.480 20 0 GEADLO C[C@H]([C@@H]1C[N@H+](C)CCO1)N1C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000762171450 652678749 /nfs/dbraw/zinc/67/87/49/652678749.db2.gz OIGWEFQQLLHBGU-KMUNFCNLSA-N 1 2 386.279 2.175 20 0 GEADLO C[C@H]([C@@H]1C[N@@H+](C)CCO1)N1C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000762171450 652678753 /nfs/dbraw/zinc/67/87/53/652678753.db2.gz OIGWEFQQLLHBGU-KMUNFCNLSA-N 1 2 386.279 2.175 20 0 GEADLO O=S1(=O)CCC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000634967513 652678987 /nfs/dbraw/zinc/67/89/87/652678987.db2.gz QBRMLRIIEKDBCL-ZDUSSCGKSA-N 1 2 399.314 2.291 20 0 GEADLO CC1=CC[N@H+](CCNC(=O)c2cccc(I)c2O)CC1 ZINC000762704174 652713888 /nfs/dbraw/zinc/71/38/88/652713888.db2.gz DPATUFKKMGAGAR-UHFFFAOYSA-N 1 2 386.233 2.379 20 0 GEADLO CC1=CC[N@@H+](CCNC(=O)c2cccc(I)c2O)CC1 ZINC000762704174 652713897 /nfs/dbraw/zinc/71/38/97/652713897.db2.gz DPATUFKKMGAGAR-UHFFFAOYSA-N 1 2 386.233 2.379 20 0 GEADLO Cn1ncc2c1nc(C[NH2+][C@H]1CCOc3c(Br)cccc31)[nH]c2=O ZINC000669694326 652714504 /nfs/dbraw/zinc/71/45/04/652714504.db2.gz JFTGPFUGEGIUHH-LBPRGKRZSA-N 1 2 390.241 2.445 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cs1 ZINC000635349241 652721893 /nfs/dbraw/zinc/72/18/93/652721893.db2.gz RLVNSWQQTLOVMJ-UHFFFAOYSA-N 1 2 376.507 2.260 20 0 GEADLO CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459154 652730680 /nfs/dbraw/zinc/73/06/80/652730680.db2.gz LUBPIRMMXCMRDR-NEPJUHHUSA-N 1 2 378.420 2.145 20 0 GEADLO COC(=O)[C@H](c1ccccc1Br)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000595507192 652731720 /nfs/dbraw/zinc/73/17/20/652731720.db2.gz KVARCOYQOATCCW-PBHICJAKSA-N 1 2 397.313 2.460 20 0 GEADLO C[N@@H+]1CC[C@H](CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000635647823 652745773 /nfs/dbraw/zinc/74/57/73/652745773.db2.gz KHNMORJNSNFGOB-GFCCVEGCSA-N 1 2 380.495 2.224 20 0 GEADLO C[N@H+]1CC[C@H](CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000635647823 652745780 /nfs/dbraw/zinc/74/57/80/652745780.db2.gz KHNMORJNSNFGOB-GFCCVEGCSA-N 1 2 380.495 2.224 20 0 GEADLO NC(=O)[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1cccc(Br)c1 ZINC000763369776 652753922 /nfs/dbraw/zinc/75/39/22/652753922.db2.gz XFPMHASEDLRWPK-OAHLLOKOSA-N 1 2 398.207 2.482 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000596993898 652766989 /nfs/dbraw/zinc/76/69/89/652766989.db2.gz XVOBTOIWNGWVEL-IUODEOHRSA-N 1 2 392.253 2.239 20 0 GEADLO COC(=O)[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Br)cc1 ZINC000596993900 652767089 /nfs/dbraw/zinc/76/70/89/652767089.db2.gz XVOBTOIWNGWVEL-WFASDCNBSA-N 1 2 392.253 2.239 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000635982715 652770679 /nfs/dbraw/zinc/77/06/79/652770679.db2.gz GLOVKYZBAXHGLE-HSMVNMDESA-N 1 2 394.269 2.476 20 0 GEADLO COc1ccc(Br)c([C@H](CO)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000635982715 652770683 /nfs/dbraw/zinc/77/06/83/652770683.db2.gz GLOVKYZBAXHGLE-HSMVNMDESA-N 1 2 394.269 2.476 20 0 GEADLO O=C(NC[C@@H](CO)Cc1cc(Br)ccc1F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635995213 652771862 /nfs/dbraw/zinc/77/18/62/652771862.db2.gz JUXBMVAHYQBCJT-ZLKJLUDKSA-N 1 2 396.260 2.382 20 0 GEADLO O=C(NC[C@@H](CO)Cc1cc(Br)ccc1F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635995213 652771865 /nfs/dbraw/zinc/77/18/65/652771865.db2.gz JUXBMVAHYQBCJT-ZLKJLUDKSA-N 1 2 396.260 2.382 20 0 GEADLO O=C(c1ccnc(Cl)c1I)N1CC(n2cc[nH+]c2)C1 ZINC000764261095 652793349 /nfs/dbraw/zinc/79/33/49/652793349.db2.gz KLCWIUIYXQJIEQ-UHFFFAOYSA-N 1 2 388.596 2.233 20 0 GEADLO O=C(c1ccncc1Br)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636294884 652794758 /nfs/dbraw/zinc/79/47/58/652794758.db2.gz GEWIKUSXGYOAHW-UHFFFAOYSA-N 1 2 375.270 2.240 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc(I)c2)[C@H](C)CO1 ZINC000597996356 652795988 /nfs/dbraw/zinc/79/59/88/652795988.db2.gz ITOBUSRWVRAXJQ-VXGBXAGGSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(I)c2)[C@H](C)CO1 ZINC000597996356 652795994 /nfs/dbraw/zinc/79/59/94/652795994.db2.gz ITOBUSRWVRAXJQ-VXGBXAGGSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2ccccc2I)[C@@H](C)CO1 ZINC000597998620 652796477 /nfs/dbraw/zinc/79/64/77/652796477.db2.gz POPRDHZIHAHVIN-RYUDHWBXSA-N 1 2 388.249 2.130 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccccc2I)[C@@H](C)CO1 ZINC000597998620 652796479 /nfs/dbraw/zinc/79/64/79/652796479.db2.gz POPRDHZIHAHVIN-RYUDHWBXSA-N 1 2 388.249 2.130 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC(Cc2cccs2)C1 ZINC000636628567 652812583 /nfs/dbraw/zinc/81/25/83/652812583.db2.gz SYEKUPICWUGYGO-GOSISDBHSA-N 1 2 381.567 2.140 20 0 GEADLO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636726386 652819234 /nfs/dbraw/zinc/81/92/34/652819234.db2.gz XRHYIPYLBCCJAH-ZIAGYGMSSA-N 1 2 390.285 2.148 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)c2cccc(Br)c2)CC1 ZINC000672097742 652826730 /nfs/dbraw/zinc/82/67/30/652826730.db2.gz OGDWOYKQTTYUAG-UHFFFAOYSA-N 1 2 396.329 2.007 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cccc2nonc21)[N@@H+]1CCc2sccc2C1 ZINC000765168146 652827619 /nfs/dbraw/zinc/82/76/19/652827619.db2.gz XMMAYQFPHDTFIO-LLVKDONJSA-N 1 2 378.479 2.009 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cccc2nonc21)[N@H+]1CCc2sccc2C1 ZINC000765168146 652827621 /nfs/dbraw/zinc/82/76/21/652827621.db2.gz XMMAYQFPHDTFIO-LLVKDONJSA-N 1 2 378.479 2.009 20 0 GEADLO O=C(NCCS(=O)(=O)CC1CC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000765309092 652836207 /nfs/dbraw/zinc/83/62/07/652836207.db2.gz IIOYPKVZXFMOCK-UHFFFAOYSA-N 1 2 386.543 2.075 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000637124386 652840696 /nfs/dbraw/zinc/84/06/96/652840696.db2.gz QVXHUNDTFHKVPL-OQPBUACISA-N 1 2 381.205 2.142 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(I)c(F)c1 ZINC000598948032 652842232 /nfs/dbraw/zinc/84/22/32/652842232.db2.gz OICAFODAWZJBHM-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO CC1(C)CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1CCO ZINC000672879458 652848395 /nfs/dbraw/zinc/84/83/95/652848395.db2.gz TZVCNPIEFQDDTI-UHFFFAOYSA-N 1 2 381.325 2.212 20 0 GEADLO CC1(C)CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC[N@H+]1CCO ZINC000672879458 652848397 /nfs/dbraw/zinc/84/83/97/652848397.db2.gz TZVCNPIEFQDDTI-UHFFFAOYSA-N 1 2 381.325 2.212 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@@H]1C ZINC000765741804 652851137 /nfs/dbraw/zinc/85/11/37/652851137.db2.gz OLHUFVPMEMLNLK-STQMWFEESA-N 1 2 387.933 2.145 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)C[C@@H]1C ZINC000765741804 652851138 /nfs/dbraw/zinc/85/11/38/652851138.db2.gz OLHUFVPMEMLNLK-STQMWFEESA-N 1 2 387.933 2.145 20 0 GEADLO C[C@@H](C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)[NH+]1CCSCC1 ZINC000673451613 652863843 /nfs/dbraw/zinc/86/38/43/652863843.db2.gz ASDWJJLGJMXOQW-LBPRGKRZSA-N 1 2 379.917 2.221 20 0 GEADLO C[C@@H](C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)[NH+]1CCSCC1 ZINC000673451613 652863849 /nfs/dbraw/zinc/86/38/49/652863849.db2.gz ASDWJJLGJMXOQW-LBPRGKRZSA-N 1 2 379.917 2.221 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc(Br)o2)cn1 ZINC000673452075 652864441 /nfs/dbraw/zinc/86/44/41/652864441.db2.gz TVXVRQGSTXGZLX-UHFFFAOYSA-N 1 2 378.230 2.315 20 0 GEADLO O=C(CN1CCc2[nH+]c[nH]c2C1)Nc1cccc(I)c1 ZINC000599430497 652870886 /nfs/dbraw/zinc/87/08/86/652870886.db2.gz UEQWWCNMPMCKBG-UHFFFAOYSA-N 1 2 382.205 2.011 20 0 GEADLO C[C@H](C(=O)Nc1cccc(I)c1)N1CCc2[nH+]c[nH]c2C1 ZINC000599430167 652871007 /nfs/dbraw/zinc/87/10/07/652871007.db2.gz NUVVMRDWVUTKJV-SNVBAGLBSA-N 1 2 396.232 2.400 20 0 GEADLO CC(C)(CN1CCN(c2ccc(Br)cn2)CC1)[NH+]1CCOCC1 ZINC000637900463 652877109 /nfs/dbraw/zinc/87/71/09/652877109.db2.gz ABWOSDVVFXCKCX-UHFFFAOYSA-N 1 2 383.334 2.077 20 0 GEADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CSCCS3)CC2)c1 ZINC000766408380 652878988 /nfs/dbraw/zinc/87/89/88/652878988.db2.gz JNRKFYFJNAMMRL-QGZVFWFLSA-N 1 2 382.551 2.067 20 0 GEADLO O=C(Nc1ccccc1Br)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674204215 652890661 /nfs/dbraw/zinc/89/06/61/652890661.db2.gz WRYKRIZFHJTBCQ-LBPRGKRZSA-N 1 2 377.242 2.448 20 0 GEADLO CO[C@@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1)[C@H]1CCOC1 ZINC000638886900 652910227 /nfs/dbraw/zinc/91/02/27/652910227.db2.gz MCCHKIQIGIDUSU-JSGCOSHPSA-N 1 2 381.274 2.375 20 0 GEADLO O=S(=O)(CCN1CCC(C(F)F)CC1)CC[NH+]1CCC(C(F)F)CC1 ZINC000767087547 652911757 /nfs/dbraw/zinc/91/17/57/652911757.db2.gz YZPZPMIITIIOQK-UHFFFAOYSA-N 1 2 388.471 2.355 20 0 GEADLO O=C(NCCCn1cncn1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000675133706 652917838 /nfs/dbraw/zinc/91/78/38/652917838.db2.gz WFFJLYLYGQIMPF-INIZCTEOSA-N 1 2 392.301 2.384 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cnn3cc(Br)cnc23)C[C@@]2(CCCOC2)O1 ZINC000639129835 652921189 /nfs/dbraw/zinc/92/11/89/652921189.db2.gz VWJJHMHEHQPFCI-MLGOLLRUSA-N 1 2 381.274 2.262 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cnn3cc(Br)cnc23)C[C@@]2(CCCOC2)O1 ZINC000639129835 652921191 /nfs/dbraw/zinc/92/11/91/652921191.db2.gz VWJJHMHEHQPFCI-MLGOLLRUSA-N 1 2 381.274 2.262 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C2CC2)C1 ZINC000639531615 652940454 /nfs/dbraw/zinc/94/04/54/652940454.db2.gz LCSAUVLBWWLYGM-HUUCEWRRSA-N 1 2 394.320 2.385 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C2CC2)C1 ZINC000639531615 652940461 /nfs/dbraw/zinc/94/04/61/652940461.db2.gz LCSAUVLBWWLYGM-HUUCEWRRSA-N 1 2 394.320 2.385 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000639642365 652945571 /nfs/dbraw/zinc/94/55/71/652945571.db2.gz PYQVWAVPVMZBRU-MJBXVCDLSA-N 1 2 384.464 2.280 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000639642365 652945579 /nfs/dbraw/zinc/94/55/79/652945579.db2.gz PYQVWAVPVMZBRU-MJBXVCDLSA-N 1 2 384.464 2.280 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C2)[nH]1 ZINC000639645117 652945906 /nfs/dbraw/zinc/94/59/06/652945906.db2.gz GQPPRYNOGXQJIK-GXFFZTMASA-N 1 2 387.267 2.436 20 0 GEADLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C2)[nH]1 ZINC000639645117 652945911 /nfs/dbraw/zinc/94/59/11/652945911.db2.gz GQPPRYNOGXQJIK-GXFFZTMASA-N 1 2 387.267 2.436 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639818784 652956707 /nfs/dbraw/zinc/95/67/07/652956707.db2.gz SVAOJCGSGHBROO-CABCVRRESA-N 1 2 378.274 2.294 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639818784 652956711 /nfs/dbraw/zinc/95/67/11/652956711.db2.gz SVAOJCGSGHBROO-CABCVRRESA-N 1 2 378.274 2.294 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639818190 652956972 /nfs/dbraw/zinc/95/69/72/652956972.db2.gz NCNIKEYZIAWNCT-GJZGRUSLSA-N 1 2 378.274 2.294 20 0 GEADLO NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639818190 652956975 /nfs/dbraw/zinc/95/69/75/652956975.db2.gz NCNIKEYZIAWNCT-GJZGRUSLSA-N 1 2 378.274 2.294 20 0 GEADLO CSc1ccc(OCC[N@@H+]2CCc3c(cccc3S(N)(=O)=O)C2)cc1 ZINC000640161101 653097517 /nfs/dbraw/zinc/09/75/17/653097517.db2.gz HVSPTJKQTPSFFN-UHFFFAOYSA-N 1 2 378.519 2.493 20 0 GEADLO CSc1ccc(OCC[N@H+]2CCc3c(cccc3S(N)(=O)=O)C2)cc1 ZINC000640161101 653097518 /nfs/dbraw/zinc/09/75/18/653097518.db2.gz HVSPTJKQTPSFFN-UHFFFAOYSA-N 1 2 378.519 2.493 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)[NH+]1CCSCC1 ZINC000676842112 653108160 /nfs/dbraw/zinc/10/81/60/653108160.db2.gz NNXDEVKNFDEWSI-JTQLQIEISA-N 1 2 377.919 2.087 20 0 GEADLO Ic1cnc2ccc(-c3noc(Cn4cc[nH+]c4)n3)cn12 ZINC000771634408 653122476 /nfs/dbraw/zinc/12/24/76/653122476.db2.gz KNMSFAYORMAZTJ-UHFFFAOYSA-N 1 2 392.160 2.234 20 0 GEADLO CN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC(F)(F)Br ZINC000805834318 653130863 /nfs/dbraw/zinc/13/08/63/653130863.db2.gz CKINYKQHJLDKJU-UHFFFAOYSA-N 1 2 396.301 2.312 20 0 GEADLO C[C@@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)N1CCSc2ccccc21 ZINC000772046522 653138194 /nfs/dbraw/zinc/13/81/94/653138194.db2.gz JZCBXLCQQBRTFS-ZIAGYGMSSA-N 1 2 380.535 2.494 20 0 GEADLO C[C@@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)N1CCSc2ccccc21 ZINC000772046522 653138198 /nfs/dbraw/zinc/13/81/98/653138198.db2.gz JZCBXLCQQBRTFS-ZIAGYGMSSA-N 1 2 380.535 2.494 20 0 GEADLO COC1CC[NH+](Cc2cn(Cc3ncc(Br)cc3F)nn2)CC1 ZINC000641103260 653156020 /nfs/dbraw/zinc/15/60/20/653156020.db2.gz KRACEPWOGYFREQ-UHFFFAOYSA-N 1 2 384.253 2.234 20 0 GEADLO COCC[N@H+](C)Cc1cn(Cc2nc3ccc(Br)cc3n2C)nn1 ZINC000641173019 653166081 /nfs/dbraw/zinc/16/60/81/653166081.db2.gz HHTMSCHVIVQODL-UHFFFAOYSA-N 1 2 393.289 2.054 20 0 GEADLO COCC[N@@H+](C)Cc1cn(Cc2nc3ccc(Br)cc3n2C)nn1 ZINC000641173019 653166083 /nfs/dbraw/zinc/16/60/83/653166083.db2.gz HHTMSCHVIVQODL-UHFFFAOYSA-N 1 2 393.289 2.054 20 0 GEADLO COCC[N@H+](C)Cc1cn(CCOc2cc(F)cc(Br)c2)nn1 ZINC000641175273 653166108 /nfs/dbraw/zinc/16/61/08/653166108.db2.gz HRQSOGQQIAZOOB-UHFFFAOYSA-N 1 2 387.253 2.337 20 0 GEADLO COCC[N@@H+](C)Cc1cn(CCOc2cc(F)cc(Br)c2)nn1 ZINC000641175273 653166113 /nfs/dbraw/zinc/16/61/13/653166113.db2.gz HRQSOGQQIAZOOB-UHFFFAOYSA-N 1 2 387.253 2.337 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CCO1 ZINC000806666183 653172375 /nfs/dbraw/zinc/17/23/75/653172375.db2.gz HFJIRJXSIDJUQO-MLGOLLRUSA-N 1 2 397.317 2.315 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CCO1 ZINC000806666183 653172381 /nfs/dbraw/zinc/17/23/81/653172381.db2.gz HFJIRJXSIDJUQO-MLGOLLRUSA-N 1 2 397.317 2.315 20 0 GEADLO O=C(c1nccn2c(Br)cnc12)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000769763661 653176368 /nfs/dbraw/zinc/17/63/68/653176368.db2.gz ZQPAEJKNOSGLKE-LLVKDONJSA-N 1 2 375.230 2.166 20 0 GEADLO C[C@H](NC(=S)NCc1ccc(OC(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000769797683 653177992 /nfs/dbraw/zinc/17/79/92/653177992.db2.gz YRJKWUWNQYQWNP-SMDDNHRTSA-N 1 2 377.432 2.268 20 0 GEADLO C[C@H](NC(=S)NCc1ccc(OC(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000769797683 653178000 /nfs/dbraw/zinc/17/80/00/653178000.db2.gz YRJKWUWNQYQWNP-SMDDNHRTSA-N 1 2 377.432 2.268 20 0 GEADLO COC(=O)N1CC([NH2+][C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000773072977 653179845 /nfs/dbraw/zinc/17/98/45/653179845.db2.gz QNJWLBOOYRHDQN-JTQLQIEISA-N 1 2 394.273 2.439 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C)cc(C)c1Br ZINC000807281455 653188948 /nfs/dbraw/zinc/18/89/48/653188948.db2.gz VRTSHAZNSLCAII-CYBMUJFWSA-N 1 2 380.242 2.234 20 0 GEADLO O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2ncnc(C(F)(F)F)c2Br)CC1 ZINC000641342883 653189923 /nfs/dbraw/zinc/18/99/23/653189923.db2.gz KCDJXUHOYORTGD-VHSXEESVSA-N 1 2 395.223 2.293 20 0 GEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000602596183 653193427 /nfs/dbraw/zinc/19/34/27/653193427.db2.gz NARGUGMAGMOSFQ-CYBMUJFWSA-N 1 2 388.917 2.399 20 0 GEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000602596183 653193430 /nfs/dbraw/zinc/19/34/30/653193430.db2.gz NARGUGMAGMOSFQ-CYBMUJFWSA-N 1 2 388.917 2.399 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@H](c3ccsc3)C2)C1 ZINC000641401759 653199582 /nfs/dbraw/zinc/19/95/82/653199582.db2.gz VNJBGXFICRDGFE-KRWDZBQOSA-N 1 2 378.519 2.498 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@H](c3ccsc3)C2)C1 ZINC000641401759 653199585 /nfs/dbraw/zinc/19/95/85/653199585.db2.gz VNJBGXFICRDGFE-KRWDZBQOSA-N 1 2 378.519 2.498 20 0 GEADLO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@H+](C)CCn1cc(Br)cn1 ZINC000602669838 653199574 /nfs/dbraw/zinc/19/95/74/653199574.db2.gz KTKQZHNPGRLGDZ-UHFFFAOYSA-N 1 2 398.305 2.466 20 0 GEADLO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@@H+](C)CCn1cc(Br)cn1 ZINC000602669838 653199579 /nfs/dbraw/zinc/19/95/79/653199579.db2.gz KTKQZHNPGRLGDZ-UHFFFAOYSA-N 1 2 398.305 2.466 20 0 GEADLO Cn1ncc(Br)c1C[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602735846 653203199 /nfs/dbraw/zinc/20/31/99/653203199.db2.gz ZKPZAUZNSNWTCB-UHFFFAOYSA-N 1 2 384.278 2.161 20 0 GEADLO O=C(/C=C/c1cc(Br)ccc1F)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000773534000 653204586 /nfs/dbraw/zinc/20/45/86/653204586.db2.gz RLZIOBGUBJDTMT-FIMWJMCYSA-N 1 2 382.277 2.108 20 0 GEADLO O=C(/C=C/c1cc(Br)ccc1F)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000773534000 653204593 /nfs/dbraw/zinc/20/45/93/653204593.db2.gz RLZIOBGUBJDTMT-FIMWJMCYSA-N 1 2 382.277 2.108 20 0 GEADLO COc1ccc(Br)c(CN(C)S(=O)(=O)CCn2cc[nH+]c2)c1 ZINC000641457962 653208789 /nfs/dbraw/zinc/20/87/89/653208789.db2.gz OCIWALVYIRBCCD-UHFFFAOYSA-N 1 2 388.287 2.116 20 0 GEADLO COC(=O)c1cc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc(Br)c1F ZINC000602990859 653219521 /nfs/dbraw/zinc/21/95/21/653219521.db2.gz HIUVEGHZWUKNEW-SECBINFHSA-N 1 2 397.204 2.318 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c(Cl)cc1Cl ZINC000770715713 653222205 /nfs/dbraw/zinc/22/22/05/653222205.db2.gz BOOJXEKSLKPKLK-ZJUUUORDSA-N 1 2 395.308 2.493 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c(Cl)cc1Cl ZINC000770715713 653222209 /nfs/dbraw/zinc/22/22/09/653222209.db2.gz BOOJXEKSLKPKLK-ZJUUUORDSA-N 1 2 395.308 2.493 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000770723303 653222715 /nfs/dbraw/zinc/22/27/15/653222715.db2.gz NPHXEQXDZIQGTC-ZJUUUORDSA-N 1 2 395.294 2.310 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000770723303 653222716 /nfs/dbraw/zinc/22/27/16/653222716.db2.gz NPHXEQXDZIQGTC-ZJUUUORDSA-N 1 2 395.294 2.310 20 0 GEADLO COc1c(F)cc(Br)cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000774169921 653227748 /nfs/dbraw/zinc/22/77/48/653227748.db2.gz YLYRPJFUIZPKHE-UHFFFAOYSA-N 1 2 392.250 2.162 20 0 GEADLO COc1cc(Br)c2nc(N[C@H](C)C[NH+]3CCOCC3)nc(N)c2c1 ZINC000683183738 653230118 /nfs/dbraw/zinc/23/01/18/653230118.db2.gz CYPDQVSTHYOCKX-SNVBAGLBSA-N 1 2 396.289 2.116 20 0 GEADLO C[N@H+](C[C@@H]1CCCO1)Cn1c2ccc(I)cc2oc1=O ZINC000774584517 653241677 /nfs/dbraw/zinc/24/16/77/653241677.db2.gz FAWPFTVTGZPEBU-NSHDSACASA-N 1 2 388.205 2.267 20 0 GEADLO C[N@@H+](C[C@@H]1CCCO1)Cn1c2ccc(I)cc2oc1=O ZINC000774584517 653241684 /nfs/dbraw/zinc/24/16/84/653241684.db2.gz FAWPFTVTGZPEBU-NSHDSACASA-N 1 2 388.205 2.267 20 0 GEADLO CN1CC[NH+](CCCCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000642335183 653242933 /nfs/dbraw/zinc/24/29/33/653242933.db2.gz OPSJIJVHHKNOFO-UHFFFAOYSA-N 1 2 380.341 2.299 20 0 GEADLO CS[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000775076195 653284262 /nfs/dbraw/zinc/28/42/62/653284262.db2.gz BRPIPCPXIMVYEG-IOASZLSFSA-N 1 2 383.945 2.459 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(C(F)F)ccc2F)CC1 ZINC000857120944 653286090 /nfs/dbraw/zinc/28/60/90/653286090.db2.gz QGBXAOIUIHPKNS-UHFFFAOYSA-N 1 2 378.416 2.002 20 0 GEADLO C[C@H]1CCN(C(=O)c2c(Br)nc3n2CCOC3)C[C@H]1n1cc[nH+]c1 ZINC000857151497 653290793 /nfs/dbraw/zinc/29/07/93/653290793.db2.gz JOMDMLFRQQEZTN-NWDGAFQWSA-N 1 2 394.273 2.096 20 0 GEADLO CN1CC[NH+](C[C@H]2CN(c3noc4ccc(Br)cc43)CCO2)CC1 ZINC000685907160 653317180 /nfs/dbraw/zinc/31/71/80/653317180.db2.gz ZVXCIJRKLAYTQJ-AWEZNQCLSA-N 1 2 395.301 2.043 20 0 GEADLO CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)C[NH+]3CCCC3)n2)cc1 ZINC000874446331 653319312 /nfs/dbraw/zinc/31/93/12/653319312.db2.gz HFPMCTFKTNVPIV-UHFFFAOYSA-N 1 2 380.495 2.216 20 0 GEADLO CN(OCC(F)(F)F)C(=O)CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000857424056 653322081 /nfs/dbraw/zinc/32/20/81/653322081.db2.gz JOCHSLVLJMSGPX-CYBMUJFWSA-N 1 2 381.782 2.011 20 0 GEADLO Cc1ccc(N(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1Br ZINC000775872808 653331031 /nfs/dbraw/zinc/33/10/31/653331031.db2.gz UCHHWWFQTNFXPI-UHFFFAOYSA-N 1 2 398.345 2.421 20 0 GEADLO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874892301 653341393 /nfs/dbraw/zinc/34/13/93/653341393.db2.gz DOFSWMAOEBWZGF-CQSZACIVSA-N 1 2 380.217 2.476 20 0 GEADLO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000857890111 653342178 /nfs/dbraw/zinc/34/21/78/653342178.db2.gz PXERDBMKMJEWPN-WFASDCNBSA-N 1 2 388.269 2.220 20 0 GEADLO COc1cc(/C=C\C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc(Br)c1O ZINC000857887588 653342363 /nfs/dbraw/zinc/34/23/63/653342363.db2.gz MUOVQBBXBPVGPZ-QUCGXOGASA-N 1 2 378.226 2.114 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCSC1)c1ccccc1Cl ZINC000874998793 653346245 /nfs/dbraw/zinc/34/62/45/653346245.db2.gz WDCSAECSTAISKA-CJNGLKHVSA-N 1 2 383.945 2.318 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CCO1 ZINC000875193770 653357267 /nfs/dbraw/zinc/35/72/67/653357267.db2.gz FSDXUSOUOHNRTA-GLZXHMCRSA-N 1 2 394.313 2.107 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CCO1 ZINC000875193770 653357272 /nfs/dbraw/zinc/35/72/72/653357272.db2.gz FSDXUSOUOHNRTA-GLZXHMCRSA-N 1 2 394.313 2.107 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)NC[C@H]1CSCCS1 ZINC000875362184 653365385 /nfs/dbraw/zinc/36/53/85/653365385.db2.gz HLAMPQQPCQFGPV-AWEZNQCLSA-N 1 2 384.596 2.283 20 0 GEADLO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000858585817 653368515 /nfs/dbraw/zinc/36/85/15/653368515.db2.gz BEJDVDQZCJEYQI-WDEREUQCSA-N 1 2 396.289 2.397 20 0 GEADLO Cc1c(Br)nccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000836680413 653368789 /nfs/dbraw/zinc/36/87/89/653368789.db2.gz DCPRMCZKBPKSCE-YPMHNXCESA-N 1 2 383.290 2.479 20 0 GEADLO Cc1c(Br)nccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000836680410 653368873 /nfs/dbraw/zinc/36/88/73/653368873.db2.gz DCPRMCZKBPKSCE-AAEUAGOBSA-N 1 2 383.290 2.479 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000875548251 653376221 /nfs/dbraw/zinc/37/62/21/653376221.db2.gz GHLNUDNATICIAK-JSGCOSHPSA-N 1 2 385.306 2.315 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000875548251 653376223 /nfs/dbraw/zinc/37/62/23/653376223.db2.gz GHLNUDNATICIAK-JSGCOSHPSA-N 1 2 385.306 2.315 20 0 GEADLO C[C@H](O)CNc1cc(N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)nc[nH+]1 ZINC000858828359 653379893 /nfs/dbraw/zinc/37/98/93/653379893.db2.gz HXNLYSWMACLUHF-FABXCBLPSA-N 1 2 393.285 2.344 20 0 GEADLO C[C@H](O)CNc1cc(N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)[nH+]cn1 ZINC000858828359 653379900 /nfs/dbraw/zinc/37/99/00/653379900.db2.gz HXNLYSWMACLUHF-FABXCBLPSA-N 1 2 393.285 2.344 20 0 GEADLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Br)nc1F)c1ccco1 ZINC000858878931 653382532 /nfs/dbraw/zinc/38/25/32/653382532.db2.gz ITKFGJUHRKRHHX-SECBINFHSA-N 1 2 392.250 2.157 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000858912489 653384649 /nfs/dbraw/zinc/38/46/49/653384649.db2.gz VAGYITARGOFLJL-UHFFFAOYSA-N 1 2 387.889 2.235 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866439 653384689 /nfs/dbraw/zinc/38/46/89/653384689.db2.gz PENOCXVIDUVGLX-PHIMTYICSA-N 1 2 377.482 2.288 20 0 GEADLO Cc1nc(SC(F)F)sc1CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866439 653384692 /nfs/dbraw/zinc/38/46/92/653384692.db2.gz PENOCXVIDUVGLX-PHIMTYICSA-N 1 2 377.482 2.288 20 0 GEADLO O=S(=O)(c1ccc(Br)nc1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000859057430 653398840 /nfs/dbraw/zinc/39/88/40/653398840.db2.gz GFQNGWQXNUJCFL-VIFPVBQESA-N 1 2 389.250 2.275 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(Br)nc2F)C[C@H]1C ZINC000859088926 653403675 /nfs/dbraw/zinc/40/36/75/653403675.db2.gz YVYSXJNQKSZHNH-NXEZZACHSA-N 1 2 380.283 2.086 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(Br)nc2F)C[C@H]1C ZINC000859088926 653403677 /nfs/dbraw/zinc/40/36/77/653403677.db2.gz YVYSXJNQKSZHNH-NXEZZACHSA-N 1 2 380.283 2.086 20 0 GEADLO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859111447 653407117 /nfs/dbraw/zinc/40/71/17/653407117.db2.gz PVIJDZKKDXHZBL-SNVBAGLBSA-N 1 2 380.283 2.134 20 0 GEADLO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859111447 653407123 /nfs/dbraw/zinc/40/71/23/653407123.db2.gz PVIJDZKKDXHZBL-SNVBAGLBSA-N 1 2 380.283 2.134 20 0 GEADLO COC[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1cccc(Br)c1 ZINC000876235745 653413016 /nfs/dbraw/zinc/41/30/16/653413016.db2.gz QPZBPVPUHBLJKJ-UKRRQHHQSA-N 1 2 379.258 2.257 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000777970848 653415174 /nfs/dbraw/zinc/41/51/74/653415174.db2.gz WJSSKZXNCKYOHS-NSHDSACASA-N 1 2 382.313 2.024 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000777970848 653415180 /nfs/dbraw/zinc/41/51/80/653415180.db2.gz WJSSKZXNCKYOHS-NSHDSACASA-N 1 2 382.313 2.024 20 0 GEADLO CON(C)C(=O)C1CC[NH+](CN2Cc3ccc(Br)cc3C2=O)CC1 ZINC000812293661 653420503 /nfs/dbraw/zinc/42/05/03/653420503.db2.gz WHWSEUSWTSTFDC-UHFFFAOYSA-N 1 2 396.285 2.094 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1c(Br)nc2n1CCCC2 ZINC000837332148 653427728 /nfs/dbraw/zinc/42/77/28/653427728.db2.gz FQZFUMOBEPVGAB-UHFFFAOYSA-N 1 2 392.301 2.487 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000876513106 653433485 /nfs/dbraw/zinc/43/34/85/653433485.db2.gz HQPLGQVKHQEVFJ-LLVKDONJSA-N 1 2 384.395 2.486 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000876513106 653433491 /nfs/dbraw/zinc/43/34/91/653433491.db2.gz HQPLGQVKHQEVFJ-LLVKDONJSA-N 1 2 384.395 2.486 20 0 GEADLO CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cn1cc[nH+]c1 ZINC000778323872 653437921 /nfs/dbraw/zinc/43/79/21/653437921.db2.gz DTBSKVKQTXWDNC-UHFFFAOYSA-N 1 2 376.360 2.247 20 0 GEADLO O=C(c1cc(Br)cnc1F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000859325955 653441786 /nfs/dbraw/zinc/44/17/86/653441786.db2.gz ACWRQTDCEFNMAS-CYBMUJFWSA-N 1 2 386.265 2.310 20 0 GEADLO Cc1cnc(Br)c(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000812973263 653449640 /nfs/dbraw/zinc/44/96/40/653449640.db2.gz XVRIGRUBUUXATC-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cc1cnc(Br)c(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000812973263 653449643 /nfs/dbraw/zinc/44/96/43/653449643.db2.gz XVRIGRUBUUXATC-UHFFFAOYSA-N 1 2 392.257 2.220 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)c1ccnc(Cl)c1I ZINC000837688183 653461518 /nfs/dbraw/zinc/46/15/18/653461518.db2.gz KMRDMKXMAFNJML-UHFFFAOYSA-N 1 2 391.596 2.473 20 0 GEADLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859507368 653469906 /nfs/dbraw/zinc/46/99/06/653469906.db2.gz KKQYIHNUSIMMCP-HNNXBMFYSA-N 1 2 393.285 2.322 20 0 GEADLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000859507368 653469909 /nfs/dbraw/zinc/46/99/09/653469909.db2.gz KKQYIHNUSIMMCP-HNNXBMFYSA-N 1 2 393.285 2.322 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1Br ZINC000877352899 653478047 /nfs/dbraw/zinc/47/80/47/653478047.db2.gz LUCPZCRKTAIOCY-ZDUSSCGKSA-N 1 2 396.285 2.272 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1Br ZINC000877352899 653478051 /nfs/dbraw/zinc/47/80/51/653478051.db2.gz LUCPZCRKTAIOCY-ZDUSSCGKSA-N 1 2 396.285 2.272 20 0 GEADLO COC(=O)[C@]1([NH2+]CCC2OCCO2)CCc2cc(Br)ccc2C1 ZINC000859620682 653478105 /nfs/dbraw/zinc/47/81/05/653478105.db2.gz FXBVUKFRBVZQRO-KRWDZBQOSA-N 1 2 384.270 2.202 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CSc1cccc(Br)c1 ZINC000779564558 653497054 /nfs/dbraw/zinc/49/70/54/653497054.db2.gz MLNXCYNPDJSHPD-ZDUSSCGKSA-N 1 2 398.282 2.096 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](C[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1)CC(F)(F)F ZINC000877546607 653611681 /nfs/dbraw/zinc/61/16/81/653611681.db2.gz LBZUAXOVFQFKOZ-VXGBXAGGSA-N 1 2 388.452 2.199 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](C[N@H+]1CC[C@@H](CS(C)(=O)=O)C1)CC(F)(F)F ZINC000877546607 653611685 /nfs/dbraw/zinc/61/16/85/653611685.db2.gz LBZUAXOVFQFKOZ-VXGBXAGGSA-N 1 2 388.452 2.199 20 0 GEADLO C[N@@H+](Cc1cn(C[C@H]2CCOC2)nn1)C[C@H](O)c1cccc(Br)c1 ZINC000877587364 653613560 /nfs/dbraw/zinc/61/35/60/653613560.db2.gz CFVDLKGFKJXIQE-DYVFJYSZSA-N 1 2 395.301 2.243 20 0 GEADLO C[N@H+](Cc1cn(C[C@H]2CCOC2)nn1)C[C@H](O)c1cccc(Br)c1 ZINC000877587364 653613566 /nfs/dbraw/zinc/61/35/66/653613566.db2.gz CFVDLKGFKJXIQE-DYVFJYSZSA-N 1 2 395.301 2.243 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1Br ZINC000877635716 653614876 /nfs/dbraw/zinc/61/48/76/653614876.db2.gz BZQCQXBMBQIHQD-CYBMUJFWSA-N 1 2 398.301 2.423 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1Br ZINC000877635716 653614880 /nfs/dbraw/zinc/61/48/80/653614880.db2.gz BZQCQXBMBQIHQD-CYBMUJFWSA-N 1 2 398.301 2.423 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cccc(F)c2I)C1 ZINC000877653105 653615285 /nfs/dbraw/zinc/61/52/85/653615285.db2.gz YNPJDNXEEPEHRG-AWEZNQCLSA-N 1 2 393.196 2.194 20 0 GEADLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cccc(F)c2I)C1 ZINC000877653105 653615288 /nfs/dbraw/zinc/61/52/88/653615288.db2.gz YNPJDNXEEPEHRG-AWEZNQCLSA-N 1 2 393.196 2.194 20 0 GEADLO COC(=O)CNC(=O)C[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC000877707167 653617195 /nfs/dbraw/zinc/61/71/95/653617195.db2.gz YKDPUUPTNCPXDZ-UHFFFAOYSA-N 1 2 385.898 2.327 20 0 GEADLO O=C1OC[C@H]2C[N@@H+](Cc3nc(Cc4cccc(Br)c4)no3)C[C@@H]12 ZINC000860159402 653619987 /nfs/dbraw/zinc/61/99/87/653619987.db2.gz HBQZKTHTUVCUDF-DGCLKSJQSA-N 1 2 378.226 2.028 20 0 GEADLO O=C1OC[C@H]2C[N@H+](Cc3nc(Cc4cccc(Br)c4)no3)C[C@@H]12 ZINC000860159402 653619988 /nfs/dbraw/zinc/61/99/88/653619988.db2.gz HBQZKTHTUVCUDF-DGCLKSJQSA-N 1 2 378.226 2.028 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000877896676 653622588 /nfs/dbraw/zinc/62/25/88/653622588.db2.gz IGOCDZUVFMLJMX-PXAZEXFGSA-N 1 2 386.323 2.312 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000877896677 653622648 /nfs/dbraw/zinc/62/26/48/653622648.db2.gz IGOCDZUVFMLJMX-SJCJKPOMSA-N 1 2 386.323 2.312 20 0 GEADLO Cc1nc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)sc1Br ZINC000877928410 653623555 /nfs/dbraw/zinc/62/35/55/653623555.db2.gz VFUDULYABXDZKL-GFCCVEGCSA-N 1 2 388.331 2.285 20 0 GEADLO Cc1nc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)sc1Br ZINC000877928410 653623560 /nfs/dbraw/zinc/62/35/60/653623560.db2.gz VFUDULYABXDZKL-GFCCVEGCSA-N 1 2 388.331 2.285 20 0 GEADLO O=C(NC1CC[NH+](C[C@H](O)c2cc(Br)no2)CC1)c1ccccc1 ZINC000877926613 653623641 /nfs/dbraw/zinc/62/36/41/653623641.db2.gz DADPAUICJQEFPI-AWEZNQCLSA-N 1 2 394.269 2.365 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878055591 653627174 /nfs/dbraw/zinc/62/71/74/653627174.db2.gz WBAYSIWQXDGBCC-AWEZNQCLSA-N 1 2 398.301 2.300 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878055591 653627179 /nfs/dbraw/zinc/62/71/79/653627179.db2.gz WBAYSIWQXDGBCC-AWEZNQCLSA-N 1 2 398.301 2.300 20 0 GEADLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@@H](O)c1cc(Br)no1 ZINC000878126895 653629545 /nfs/dbraw/zinc/62/95/45/653629545.db2.gz USDSPLPDRNQBTN-GFCCVEGCSA-N 1 2 389.271 2.006 20 0 GEADLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@@H](O)c1cc(Br)no1 ZINC000878126895 653629546 /nfs/dbraw/zinc/62/95/46/653629546.db2.gz USDSPLPDRNQBTN-GFCCVEGCSA-N 1 2 389.271 2.006 20 0 GEADLO C[N@H+](C[C@@H](O)c1cc(Br)no1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000878243739 653632544 /nfs/dbraw/zinc/63/25/44/653632544.db2.gz HNFITERUAVKLHY-CHWSQXEVSA-N 1 2 380.242 2.208 20 0 GEADLO C[N@@H+](C[C@@H](O)c1cc(Br)no1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000878243739 653632545 /nfs/dbraw/zinc/63/25/45/653632545.db2.gz HNFITERUAVKLHY-CHWSQXEVSA-N 1 2 380.242 2.208 20 0 GEADLO COCC[N@H+](CCc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000878310436 653634229 /nfs/dbraw/zinc/63/42/29/653634229.db2.gz ZCCODUQOSUYPAK-CQSZACIVSA-N 1 2 376.316 2.127 20 0 GEADLO COCC[N@@H+](CCc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000878310436 653634232 /nfs/dbraw/zinc/63/42/32/653634232.db2.gz ZCCODUQOSUYPAK-CQSZACIVSA-N 1 2 376.316 2.127 20 0 GEADLO COC(=O)c1cc(C(=O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c(C)[nH]1 ZINC000878396092 653636552 /nfs/dbraw/zinc/63/65/52/653636552.db2.gz GVEYLTLWSUXSRH-HNNXBMFYSA-N 1 2 395.253 2.378 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H](O)c2cc(Br)no2)C[C@H]1NC(=O)OC(C)(C)C ZINC000878517879 653639857 /nfs/dbraw/zinc/63/98/57/653639857.db2.gz OGNDLRRDGVIDPL-GMTAPVOTSA-N 1 2 390.278 2.316 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cc(Br)no2)C[C@H]1NC(=O)OC(C)(C)C ZINC000878517879 653639860 /nfs/dbraw/zinc/63/98/60/653639860.db2.gz OGNDLRRDGVIDPL-GMTAPVOTSA-N 1 2 390.278 2.316 20 0 GEADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccnc(Br)c2)CC1 ZINC000815008442 653642717 /nfs/dbraw/zinc/64/27/17/653642717.db2.gz WXWJOCAHOYDFFM-HNNXBMFYSA-N 1 2 395.345 2.363 20 0 GEADLO COC(=O)c1cnc([C@H](C)[NH2+]C[C@@H](O)c2cc(Br)no2)s1 ZINC000878727506 653645835 /nfs/dbraw/zinc/64/58/35/653645835.db2.gz ZOPYSGSWRUUHOH-NKWVEPMBSA-N 1 2 376.232 2.064 20 0 GEADLO C[N@H+](CCS(C)(=O)=O)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815037227 653646987 /nfs/dbraw/zinc/64/69/87/653646987.db2.gz WACHKMCOGOEXLW-CYBMUJFWSA-N 1 2 384.723 2.286 20 0 GEADLO C[N@@H+](CCS(C)(=O)=O)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815037227 653646991 /nfs/dbraw/zinc/64/69/91/653646991.db2.gz WACHKMCOGOEXLW-CYBMUJFWSA-N 1 2 384.723 2.286 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccnc(Br)c3)C2)nn1 ZINC000815092423 653651175 /nfs/dbraw/zinc/65/11/75/653651175.db2.gz GRDNZXPPHGCLPN-GFCCVEGCSA-N 1 2 380.246 2.059 20 0 GEADLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3ccnc(Br)c3)C2)nn1 ZINC000815092423 653651177 /nfs/dbraw/zinc/65/11/77/653651177.db2.gz GRDNZXPPHGCLPN-GFCCVEGCSA-N 1 2 380.246 2.059 20 0 GEADLO C[C@H]1C[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)CCN1CCO ZINC000815096899 653651611 /nfs/dbraw/zinc/65/16/11/653651611.db2.gz XEQYWHKJFYNXAC-LRDDRELGSA-N 1 2 391.737 2.308 20 0 GEADLO C[C@H]1C[N@@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)CCN1CCO ZINC000815096899 653651614 /nfs/dbraw/zinc/65/16/14/653651614.db2.gz XEQYWHKJFYNXAC-LRDDRELGSA-N 1 2 391.737 2.308 20 0 GEADLO CCc1noc(C)c1C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000815146250 653653437 /nfs/dbraw/zinc/65/34/37/653653437.db2.gz OVHZGLVOZWYZIT-LBPRGKRZSA-N 1 2 386.905 2.353 20 0 GEADLO CSc1nc2ccc(NC(=O)C(=O)NCCc3cn(C)c[nH+]3)cc2s1 ZINC000839573098 653655820 /nfs/dbraw/zinc/65/58/20/653655820.db2.gz STRRLLRVRHYKFV-UHFFFAOYSA-N 1 2 375.479 2.049 20 0 GEADLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)c2cc(Br)no2)Cc2ccccc21 ZINC000879061879 653657561 /nfs/dbraw/zinc/65/75/61/653657561.db2.gz GPNHURBEHBAMPV-OLZOCXBDSA-N 1 2 381.226 2.243 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)c2cc(Br)no2)Cc2ccccc21 ZINC000879061879 653657563 /nfs/dbraw/zinc/65/75/63/653657563.db2.gz GPNHURBEHBAMPV-OLZOCXBDSA-N 1 2 381.226 2.243 20 0 GEADLO O=C(c1cn2c(Br)cnc2s1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000815328402 653657864 /nfs/dbraw/zinc/65/78/64/653657864.db2.gz ROIQGFCFZZTZBB-UHFFFAOYSA-N 1 2 379.239 2.457 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1cc2ccc(Cl)nc2cc1F ZINC000782506723 653663203 /nfs/dbraw/zinc/66/32/03/653663203.db2.gz BCSGCCIVOQTEOQ-UHFFFAOYSA-N 1 2 387.864 2.028 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1cc2ccc(Cl)nc2cc1F ZINC000782506723 653663206 /nfs/dbraw/zinc/66/32/06/653663206.db2.gz BCSGCCIVOQTEOQ-UHFFFAOYSA-N 1 2 387.864 2.028 20 0 GEADLO CN(C[C@@H](O)c1cccc(Br)c1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000839824219 653665973 /nfs/dbraw/zinc/66/59/73/653665973.db2.gz HPIXZSJBRQDWBD-UKRRQHHQSA-N 1 2 378.270 2.400 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-c2csc(C)n2)s1 ZINC000879549831 653672363 /nfs/dbraw/zinc/67/23/63/653672363.db2.gz XEJOYEINDIHZGG-LLVKDONJSA-N 1 2 376.463 2.348 20 0 GEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782995522 653673527 /nfs/dbraw/zinc/67/35/27/653673527.db2.gz ANZRJARBHWNTJC-UHFFFAOYSA-N 1 2 385.921 2.460 20 0 GEADLO Cc1cc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cnc1Br ZINC000783330686 653677608 /nfs/dbraw/zinc/67/76/08/653677608.db2.gz PVAVMKDRNMDBND-ZDUSSCGKSA-N 1 2 392.257 2.151 20 0 GEADLO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@@H+]2C[C@@H]3C[C@H]2CS3)C1=O ZINC000840168424 653677895 /nfs/dbraw/zinc/67/78/95/653677895.db2.gz JEVSLRNUHYJYTG-HEHGZKQESA-N 1 2 396.310 2.363 20 0 GEADLO C[C@]1(c2ccc(Br)cc2)NC(=O)N(C[N@H+]2C[C@@H]3C[C@H]2CS3)C1=O ZINC000840168424 653677898 /nfs/dbraw/zinc/67/78/98/653677898.db2.gz JEVSLRNUHYJYTG-HEHGZKQESA-N 1 2 396.310 2.363 20 0 GEADLO O[C@H](C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1)c1cc(Br)no1 ZINC000879692943 653678986 /nfs/dbraw/zinc/67/89/86/653678986.db2.gz GQIJRBJMPNWMSX-QWHCGFSZSA-N 1 2 379.258 2.350 20 0 GEADLO O[C@H](C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1)c1cc(Br)no1 ZINC000879692943 653678988 /nfs/dbraw/zinc/67/89/88/653678988.db2.gz GQIJRBJMPNWMSX-QWHCGFSZSA-N 1 2 379.258 2.350 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000879705170 653679540 /nfs/dbraw/zinc/67/95/40/653679540.db2.gz MHZBJDXJXSANIP-RYUDHWBXSA-N 1 2 380.436 2.465 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000879705170 653679542 /nfs/dbraw/zinc/67/95/42/653679542.db2.gz MHZBJDXJXSANIP-RYUDHWBXSA-N 1 2 380.436 2.465 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000783532606 653680244 /nfs/dbraw/zinc/68/02/44/653680244.db2.gz INJAPYDOIXLELX-JTQLQIEISA-N 1 2 375.252 2.408 20 0 GEADLO CNS(=O)(=O)C1CC[NH+](Cc2cc(C)c(F)cc2Br)CC1 ZINC000862243134 653681250 /nfs/dbraw/zinc/68/12/50/653681250.db2.gz WVFRISTUHKJMPZ-UHFFFAOYSA-N 1 2 379.295 2.410 20 0 GEADLO CCOc1ccnc(N2CCC[N@H+](Cc3cn(C)nc3Br)CC2)n1 ZINC000862252925 653682088 /nfs/dbraw/zinc/68/20/88/653682088.db2.gz YIUQLBJYFOVKGK-UHFFFAOYSA-N 1 2 395.305 2.084 20 0 GEADLO CCOc1ccnc(N2CCC[N@@H+](Cc3cn(C)nc3Br)CC2)n1 ZINC000862252925 653682090 /nfs/dbraw/zinc/68/20/90/653682090.db2.gz YIUQLBJYFOVKGK-UHFFFAOYSA-N 1 2 395.305 2.084 20 0 GEADLO C[S@@](=N)(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000879945234 653689686 /nfs/dbraw/zinc/68/96/86/653689686.db2.gz KHBXLFVYMZWEBE-VWLOTQADSA-N 1 2 378.420 2.243 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)n1 ZINC000880009020 653691972 /nfs/dbraw/zinc/69/19/72/653691972.db2.gz IOSDJCBLKUJUEX-LLVKDONJSA-N 1 2 380.495 2.052 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)n1 ZINC000880009020 653691973 /nfs/dbraw/zinc/69/19/73/653691973.db2.gz IOSDJCBLKUJUEX-LLVKDONJSA-N 1 2 380.495 2.052 20 0 GEADLO C[C@@H](NC(=S)NC[C@H]1CN(C)CC[N@@H+]1C)c1ccc(Br)cc1 ZINC000840729435 653692252 /nfs/dbraw/zinc/69/22/52/653692252.db2.gz ORMXNBRDMFVCFO-DOMZBBRYSA-N 1 2 385.375 2.220 20 0 GEADLO C[C@@H](NC(=S)NC[C@H]1CN(C)CC[N@H+]1C)c1ccc(Br)cc1 ZINC000840729435 653692254 /nfs/dbraw/zinc/69/22/54/653692254.db2.gz ORMXNBRDMFVCFO-DOMZBBRYSA-N 1 2 385.375 2.220 20 0 GEADLO C[C@H](C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)S(C)(=O)=O ZINC000880026059 653692725 /nfs/dbraw/zinc/69/27/25/653692725.db2.gz DDSGOFIPRJIPTO-GRYCIOLGSA-N 1 2 388.452 2.055 20 0 GEADLO C[C@H](C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)S(C)(=O)=O ZINC000880026059 653692729 /nfs/dbraw/zinc/69/27/29/653692729.db2.gz DDSGOFIPRJIPTO-GRYCIOLGSA-N 1 2 388.452 2.055 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H](C(F)(F)F)O1 ZINC000880054327 653695177 /nfs/dbraw/zinc/69/51/77/653695177.db2.gz DDBDCJJPBAWSOC-IUODEOHRSA-N 1 2 380.432 2.479 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H](C(F)(F)F)O1 ZINC000880054327 653695180 /nfs/dbraw/zinc/69/51/80/653695180.db2.gz DDBDCJJPBAWSOC-IUODEOHRSA-N 1 2 380.432 2.479 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccc(Cl)c(Cl)c1 ZINC000863038518 653700915 /nfs/dbraw/zinc/70/09/15/653700915.db2.gz WFQLGLWKUPZJNJ-NWDGAFQWSA-N 1 2 389.308 2.269 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C1CC1 ZINC000840965155 653704126 /nfs/dbraw/zinc/70/41/26/653704126.db2.gz BPFWPOVVCSGEBM-UHFFFAOYSA-N 1 2 375.281 2.241 20 0 GEADLO O=S(=O)(CC[NH2+]Cc1ncc(Br)cc1Br)C1CC1 ZINC000840965775 653704179 /nfs/dbraw/zinc/70/41/79/653704179.db2.gz LYZRODNZDXNOHF-UHFFFAOYSA-N 1 2 398.120 2.273 20 0 GEADLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1CCOCC1 ZINC000880339988 653704305 /nfs/dbraw/zinc/70/43/05/653704305.db2.gz RELFSSUWZROLRO-INIZCTEOSA-N 1 2 399.285 2.336 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880532743 653707639 /nfs/dbraw/zinc/70/76/39/653707639.db2.gz CWNRCXSVYCBFHH-GUYCJALGSA-N 1 2 394.313 2.008 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880532743 653707640 /nfs/dbraw/zinc/70/76/40/653707640.db2.gz CWNRCXSVYCBFHH-GUYCJALGSA-N 1 2 394.313 2.008 20 0 GEADLO CNC(=O)[C@@H]1CC[N@H+](Cn2nc(Nc3ccccc3OC)sc2=S)C1 ZINC000817369616 653709239 /nfs/dbraw/zinc/70/92/39/653709239.db2.gz DCTWWNJIXFDLGA-LLVKDONJSA-N 1 2 379.511 2.452 20 0 GEADLO CNC(=O)[C@@H]1CC[N@@H+](Cn2nc(Nc3ccccc3OC)sc2=S)C1 ZINC000817369616 653709242 /nfs/dbraw/zinc/70/92/42/653709242.db2.gz DCTWWNJIXFDLGA-LLVKDONJSA-N 1 2 379.511 2.452 20 0 GEADLO Cc1cc(CNC(=O)C(=O)Nc2ccc(Br)nc2C)cc(C)[nH+]1 ZINC000817392263 653710204 /nfs/dbraw/zinc/71/02/04/653710204.db2.gz LKBRTCOLUXGTPO-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO Brc1cnc(C[NH2+]Cc2cnc(N3CCOCC3)s2)s1 ZINC000785593589 653713050 /nfs/dbraw/zinc/71/30/50/653713050.db2.gz YBYYKNXQMZKJEM-UHFFFAOYSA-N 1 2 375.317 2.489 20 0 GEADLO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000863443420 653713248 /nfs/dbraw/zinc/71/32/48/653713248.db2.gz NPXDLWOTVGYNGA-LLVKDONJSA-N 1 2 386.861 2.329 20 0 GEADLO Cn1c[nH+]cc1CN1C(=O)N[C@]2(CCc3cc(Br)ccc3C2)C1=O ZINC000863509971 653714900 /nfs/dbraw/zinc/71/49/00/653714900.db2.gz IGBHOPIYXMKCMX-KRWDZBQOSA-N 1 2 389.253 2.162 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)NCCCn2cc[nH+]c2)c(F)cc1Cl ZINC000841474577 653718485 /nfs/dbraw/zinc/71/84/85/653718485.db2.gz NGHRZLHMQQQCKY-UHFFFAOYSA-N 1 2 389.836 2.221 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1cccc(Br)n1 ZINC000786143338 653719432 /nfs/dbraw/zinc/71/94/32/653719432.db2.gz GRSWYRCSEJTKFE-UHFFFAOYSA-N 1 2 395.261 2.017 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(F)cc1Cl ZINC000841508916 653723392 /nfs/dbraw/zinc/72/33/92/653723392.db2.gz HBUPLPVATOMFHA-MNOVXSKESA-N 1 2 392.880 2.369 20 0 GEADLO CCOC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(F)cc1Cl ZINC000841508916 653723393 /nfs/dbraw/zinc/72/33/93/653723393.db2.gz HBUPLPVATOMFHA-MNOVXSKESA-N 1 2 392.880 2.369 20 0 GEADLO Cn1ccnc(Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1=O ZINC000786827877 653728492 /nfs/dbraw/zinc/72/84/92/653728492.db2.gz SKWNBOKANZAVJF-UHFFFAOYSA-N 1 2 378.274 2.038 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)[C@@H](C)C[N@@H+]1CCO ZINC000841574530 653736972 /nfs/dbraw/zinc/73/69/72/653736972.db2.gz XQTABBJSCJPEHP-MNOVXSKESA-N 1 2 389.930 2.025 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)[C@@H](C)C[N@H+]1CCO ZINC000841574530 653736973 /nfs/dbraw/zinc/73/69/73/653736973.db2.gz XQTABBJSCJPEHP-MNOVXSKESA-N 1 2 389.930 2.025 20 0 GEADLO COC(=O)C[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787391457 653738099 /nfs/dbraw/zinc/73/80/99/653738099.db2.gz ZSZCRAXHLGJQOD-GFCCVEGCSA-N 1 2 398.301 2.339 20 0 GEADLO Cc1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cc1I ZINC000864491168 653738730 /nfs/dbraw/zinc/73/87/30/653738730.db2.gz SOXTUBNIVXLZDT-NSCUHMNNSA-N 1 2 386.233 2.427 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000881780088 653738841 /nfs/dbraw/zinc/73/88/41/653738841.db2.gz ZGCYEXQZIGWBGZ-DEOSSOPVSA-N 1 2 388.559 2.027 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000881780116 653738850 /nfs/dbraw/zinc/73/88/50/653738850.db2.gz ZGCYEXQZIGWBGZ-XMMPIXPASA-N 1 2 388.559 2.027 20 0 GEADLO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)nn1C ZINC000787535633 653739671 /nfs/dbraw/zinc/73/96/71/653739671.db2.gz GTDNAQNTIOHDHJ-UHFFFAOYSA-N 1 2 392.301 2.495 20 0 GEADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000819140038 653744239 /nfs/dbraw/zinc/74/42/39/653744239.db2.gz IUNIMJIQGPJGDN-UHFFFAOYSA-N 1 2 385.379 2.089 20 0 GEADLO CC(=O)N[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000864884961 653747762 /nfs/dbraw/zinc/74/77/62/653747762.db2.gz QPVHVDVWLOYCNE-NHYWBVRUSA-N 1 2 379.258 2.028 20 0 GEADLO Cn1cc(I)c(C[NH2+]C[C@@H](O)c2c(F)cccc2F)n1 ZINC000819354480 653749809 /nfs/dbraw/zinc/74/98/09/653749809.db2.gz HAPDSGWUDCEUMQ-GFCCVEGCSA-N 1 2 393.175 2.126 20 0 GEADLO C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000881959490 653753093 /nfs/dbraw/zinc/75/30/93/653753093.db2.gz BGTZOSQFYZDCLQ-YGRLFVJLSA-N 1 2 378.281 2.231 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)ccc1Br ZINC000788605006 653760585 /nfs/dbraw/zinc/76/05/85/653760585.db2.gz OUHFCNLMRNKZPM-GFCCVEGCSA-N 1 2 386.633 2.271 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)NCCCCn2cc[nH+]c2)c(C)c1Cl ZINC000788664374 653762539 /nfs/dbraw/zinc/76/25/39/653762539.db2.gz XVBRSIRUWTUPLB-UHFFFAOYSA-N 1 2 391.902 2.452 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)[C@@H](C)C1 ZINC000788671390 653762874 /nfs/dbraw/zinc/76/28/74/653762874.db2.gz IPIRQVKCFOBBGX-WDEREUQCSA-N 1 2 389.930 2.025 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)[C@@H](C)C1 ZINC000788671390 653762876 /nfs/dbraw/zinc/76/28/76/653762876.db2.gz IPIRQVKCFOBBGX-WDEREUQCSA-N 1 2 389.930 2.025 20 0 GEADLO Cc1ccnc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c1Br ZINC000865461197 653765920 /nfs/dbraw/zinc/76/59/20/653765920.db2.gz XWVNQVQHQCTWHG-ZDUSSCGKSA-N 1 2 393.207 2.426 20 0 GEADLO NS(=O)(=O)c1cc(Br)ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000865637667 653770862 /nfs/dbraw/zinc/77/08/62/653770862.db2.gz GCPDQSZCEWHERI-GFCCVEGCSA-N 1 2 397.298 2.182 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000842881278 653771724 /nfs/dbraw/zinc/77/17/24/653771724.db2.gz LEYZZUGJJHYPDQ-VIIAAUOXSA-N 1 2 377.279 2.383 20 0 GEADLO O=C(OCC1CN(c2cccc[nH+]2)C1)c1ccc(I)cn1 ZINC000842883422 653771953 /nfs/dbraw/zinc/77/19/53/653771953.db2.gz IGGSYOMPQUNLLL-UHFFFAOYSA-N 1 2 395.200 2.374 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)Cc1cccc(Br)c1 ZINC000842965693 653775285 /nfs/dbraw/zinc/77/52/85/653775285.db2.gz JKMDVLWMFVNLSY-XJKSGUPXSA-N 1 2 386.286 2.271 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)Cc1cccc(Br)c1 ZINC000842965693 653775287 /nfs/dbraw/zinc/77/52/87/653775287.db2.gz JKMDVLWMFVNLSY-XJKSGUPXSA-N 1 2 386.286 2.271 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cc(Br)oc1C ZINC000842969847 653775905 /nfs/dbraw/zinc/77/59/05/653775905.db2.gz XXZSCRHDWAIVJZ-PWSUYJOCSA-N 1 2 376.247 2.243 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cc(Br)oc1C ZINC000842969847 653775907 /nfs/dbraw/zinc/77/59/07/653775907.db2.gz XXZSCRHDWAIVJZ-PWSUYJOCSA-N 1 2 376.247 2.243 20 0 GEADLO Cc1nc(N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)nc(N)[nH+]1 ZINC000865931890 653780235 /nfs/dbraw/zinc/78/02/35/653780235.db2.gz QNXWJYRWIGOXIQ-XCBNKYQSSA-N 1 2 377.084 2.095 20 0 GEADLO CS(=O)(=O)CC[C@H]([NH3+])c1nc(-c2ccc(Br)cc2F)no1 ZINC000843218136 653781526 /nfs/dbraw/zinc/78/15/26/653781526.db2.gz ZHPBIYGGICIUEJ-JTQLQIEISA-N 1 2 378.223 2.073 20 0 GEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1nc(Cl)cs1 ZINC000789917303 653782828 /nfs/dbraw/zinc/78/28/28/653782828.db2.gz OKDIGXSFQPENQO-UHFFFAOYSA-N 1 2 381.885 2.438 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC000882454857 653782843 /nfs/dbraw/zinc/78/28/43/653782843.db2.gz NHZPEIQJZZHFDU-IQMFZBJNSA-N 1 2 377.576 2.268 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1)C1CCCCC1 ZINC000882454857 653782848 /nfs/dbraw/zinc/78/28/48/653782848.db2.gz NHZPEIQJZZHFDU-IQMFZBJNSA-N 1 2 377.576 2.268 20 0 GEADLO CC(=O)N[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000866002078 653783100 /nfs/dbraw/zinc/78/31/00/653783100.db2.gz MLRPIXGKKPYRJC-MLGOLLRUSA-N 1 2 393.285 2.275 20 0 GEADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Br)no2)C1 ZINC000866130266 653786484 /nfs/dbraw/zinc/78/64/84/653786484.db2.gz MMJQOTSDETVKRW-AWEZNQCLSA-N 1 2 394.269 2.376 20 0 GEADLO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Br)no2)C1 ZINC000866130266 653786486 /nfs/dbraw/zinc/78/64/86/653786486.db2.gz MMJQOTSDETVKRW-AWEZNQCLSA-N 1 2 394.269 2.376 20 0 GEADLO O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000866204447 653788905 /nfs/dbraw/zinc/78/89/05/653788905.db2.gz DBWMTDYJSZXEMT-KGLIPLIRSA-N 1 2 397.216 2.411 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843818685 653794870 /nfs/dbraw/zinc/79/48/70/653794870.db2.gz XPXZZIHAKMTXQC-LLVKDONJSA-N 1 2 397.249 2.237 20 0 GEADLO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000866440181 653795749 /nfs/dbraw/zinc/79/57/49/653795749.db2.gz NZRKOZOOTBTNEQ-LAEOZQHASA-N 1 2 390.303 2.013 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc2nonc2c1 ZINC000821373930 653796197 /nfs/dbraw/zinc/79/61/97/653796197.db2.gz KSNPLQGPXJICMF-UHFFFAOYSA-N 1 2 376.214 2.451 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc2nonc2c1 ZINC000821373930 653796199 /nfs/dbraw/zinc/79/61/99/653796199.db2.gz KSNPLQGPXJICMF-UHFFFAOYSA-N 1 2 376.214 2.451 20 0 GEADLO O=S(=O)(NCCc1cn2c([nH+]1)CCCC2)c1cc2nc(Cl)ncc2s1 ZINC000866470238 653797310 /nfs/dbraw/zinc/79/73/10/653797310.db2.gz QTOFEVVXFRXLAQ-UHFFFAOYSA-N 1 2 397.913 2.399 20 0 GEADLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1occc1C(=O)OC)c1ccsc1 ZINC000866488931 653798569 /nfs/dbraw/zinc/79/85/69/653798569.db2.gz YTJWGCKHYOFBCY-AWEZNQCLSA-N 1 2 386.495 2.489 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000882735520 653801593 /nfs/dbraw/zinc/80/15/93/653801593.db2.gz JVDJGRMKEWNAFK-OAHLLOKOSA-N 1 2 391.269 2.496 20 0 GEADLO CS(=O)(=O)c1ccc([C@@H](O)C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000844384062 653805723 /nfs/dbraw/zinc/80/57/23/653805723.db2.gz RRDHGBQAJRBBCY-ZDUSSCGKSA-N 1 2 381.391 2.490 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1F ZINC000866732926 653816288 /nfs/dbraw/zinc/81/62/88/653816288.db2.gz YOKIUIVRWYTNRO-OZAJXLCCSA-N 1 2 386.474 2.061 20 0 GEADLO Cn1cc(C[NH2+][C@@H](CCO)c2ccccc2F)c(I)n1 ZINC000895083683 653816363 /nfs/dbraw/zinc/81/63/63/653816363.db2.gz BNVWILUAKKFDLY-ZDUSSCGKSA-N 1 2 389.212 2.377 20 0 GEADLO COC(=O)[C@@H]1C[N@H+](Cn2c(=O)oc3cccc(Br)c32)C[C@H]1C1CC1 ZINC000844764166 653817090 /nfs/dbraw/zinc/81/70/90/653817090.db2.gz GKTNJBRSRKZFBE-NWDGAFQWSA-N 1 2 395.253 2.446 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+](Cn2c(=O)oc3cccc(Br)c32)C[C@H]1C1CC1 ZINC000844764166 653817094 /nfs/dbraw/zinc/81/70/94/653817094.db2.gz GKTNJBRSRKZFBE-NWDGAFQWSA-N 1 2 395.253 2.446 20 0 GEADLO O=C(NCC[C@H]1CCCS1(=O)=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000883063100 653824559 /nfs/dbraw/zinc/82/45/59/653824559.db2.gz CZQMZXWSYAMCKI-HUUCEWRRSA-N 1 2 385.555 2.152 20 0 GEADLO CS(=O)(=O)c1ccc(Br)c(C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000791855901 653826972 /nfs/dbraw/zinc/82/69/72/653826972.db2.gz MWPVTIVQRAHDSF-UHFFFAOYSA-N 1 2 385.239 2.187 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)NCC[C@H]1CCCS1(=O)=O)c1ccsc1 ZINC000883114393 653828395 /nfs/dbraw/zinc/82/83/95/653828395.db2.gz TXLDIIIFCADMDG-HZPDHXFCSA-N 1 2 387.571 2.398 20 0 GEADLO O=C(NCCC[C@@H]1CC1(Cl)Cl)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000844913371 653829037 /nfs/dbraw/zinc/82/90/37/653829037.db2.gz VQTGYQYRELKJIO-HIFRSBDPSA-N 1 2 396.384 2.468 20 0 GEADLO Cn1cc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)c(I)n1 ZINC000895374662 653830735 /nfs/dbraw/zinc/83/07/35/653830735.db2.gz UGEMYACJRRTYOA-CQSZACIVSA-N 1 2 398.248 2.211 20 0 GEADLO Cn1cc(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)c(I)n1 ZINC000895374662 653830741 /nfs/dbraw/zinc/83/07/41/653830741.db2.gz UGEMYACJRRTYOA-CQSZACIVSA-N 1 2 398.248 2.211 20 0 GEADLO Cn1cc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)c(I)n1 ZINC000895374661 653830818 /nfs/dbraw/zinc/83/08/18/653830818.db2.gz UGEMYACJRRTYOA-AWEZNQCLSA-N 1 2 398.248 2.211 20 0 GEADLO Cn1cc(C[N@H+]2CC[C@H](OCc3ccccn3)C2)c(I)n1 ZINC000895374661 653830821 /nfs/dbraw/zinc/83/08/21/653830821.db2.gz UGEMYACJRRTYOA-AWEZNQCLSA-N 1 2 398.248 2.211 20 0 GEADLO Nc1cc(COC(=O)COc2cccc(I)c2)cc[nH+]1 ZINC000792182115 653836892 /nfs/dbraw/zinc/83/68/92/653836892.db2.gz GYOMKRURTIUADM-UHFFFAOYSA-N 1 2 384.173 2.391 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000866864464 653840229 /nfs/dbraw/zinc/84/02/29/653840229.db2.gz ITQFVHNSXHFMFL-RGDDPNHNSA-N 1 2 379.573 2.083 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000866864464 653840232 /nfs/dbraw/zinc/84/02/32/653840232.db2.gz ITQFVHNSXHFMFL-RGDDPNHNSA-N 1 2 379.573 2.083 20 0 GEADLO CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1Cl)[NH+]1CCN(C)CC1 ZINC000866873440 653841080 /nfs/dbraw/zinc/84/10/80/653841080.db2.gz SCISTDSHZJOQQG-QGZVFWFLSA-N 1 2 391.940 2.171 20 0 GEADLO CN(C(=O)c1nc(C2CC2)ncc1Br)C(C)(C)C[NH+]1CCOCC1 ZINC000822862353 653843683 /nfs/dbraw/zinc/84/36/83/653843683.db2.gz SZRPQIUNXNMJMB-UHFFFAOYSA-N 1 2 397.317 2.299 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCC[C@H]2c2ncc(Br)cn2)nc[nH+]1 ZINC000895712568 653847452 /nfs/dbraw/zinc/84/74/52/653847452.db2.gz FAQMLHDIKLAPBX-PWSUYJOCSA-N 1 2 379.262 2.163 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCC[C@H]2c2ncc(Br)cn2)[nH+]cn1 ZINC000895712568 653847455 /nfs/dbraw/zinc/84/74/55/653847455.db2.gz FAQMLHDIKLAPBX-PWSUYJOCSA-N 1 2 379.262 2.163 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000895827526 653851751 /nfs/dbraw/zinc/85/17/51/653851751.db2.gz MFOPFUQTMZGMHH-OAHLLOKOSA-N 1 2 392.253 2.324 20 0 GEADLO CC(=O)N[C@H](c1nc(Cc2c[nH+]cn2C)no1)c1cccc(Br)c1 ZINC000866954754 653854512 /nfs/dbraw/zinc/85/45/12/653854512.db2.gz KJQGABIWHCXAEW-HNNXBMFYSA-N 1 2 390.241 2.382 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000866958797 653855500 /nfs/dbraw/zinc/85/55/00/653855500.db2.gz OWHGAHXOPUPVON-BEWRWRNKSA-N 1 2 382.511 2.168 20 0 GEADLO O=C1CC2(CCC2)[N@H+](Cc2cn(-c3ccccc3Br)nn2)CCN1 ZINC000895926682 653857065 /nfs/dbraw/zinc/85/70/65/653857065.db2.gz BSLAMBMKULXALJ-UHFFFAOYSA-N 1 2 390.285 2.274 20 0 GEADLO O=C1CC2(CCC2)[N@@H+](Cc2cn(-c3ccccc3Br)nn2)CCN1 ZINC000895926682 653857067 /nfs/dbraw/zinc/85/70/67/653857067.db2.gz BSLAMBMKULXALJ-UHFFFAOYSA-N 1 2 390.285 2.274 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2cccc(Br)n2)c1C ZINC000792972347 653858578 /nfs/dbraw/zinc/85/85/78/653858578.db2.gz BGFMFIUEMPKAGN-UHFFFAOYSA-N 1 2 393.241 2.119 20 0 GEADLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc2nc(Cl)ncc2s1 ZINC000867005484 653864302 /nfs/dbraw/zinc/86/43/02/653864302.db2.gz CTPBRNDZSIGZQU-JTQLQIEISA-N 1 2 395.897 2.297 20 0 GEADLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(CCn2cc(Br)cn2)n1 ZINC000823385821 653866436 /nfs/dbraw/zinc/86/64/36/653866436.db2.gz TZTFUGBZDFJIMT-JTQLQIEISA-N 1 2 386.250 2.003 20 0 GEADLO Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000896187699 653867963 /nfs/dbraw/zinc/86/79/63/653867963.db2.gz RYMHQNYXMNMVHM-ZYHUDNBSSA-N 1 2 379.448 2.324 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)COc1ccc(I)cc1 ZINC000793251477 653872151 /nfs/dbraw/zinc/87/21/51/653872151.db2.gz FLXCNDKWHXSPNG-UHFFFAOYSA-N 1 2 386.189 2.189 20 0 GEADLO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N[C@H]1CCn2c[nH+]cc2C1 ZINC000823628137 653874630 /nfs/dbraw/zinc/87/46/30/653874630.db2.gz SQEJAPZYUONAOC-FZMZJTMJSA-N 1 2 389.253 2.203 20 0 GEADLO O=C1NC[C@@H](O)CC12CCN(c1cc[nH+]c3c(Br)cccc13)CC2 ZINC000896336491 653875021 /nfs/dbraw/zinc/87/50/21/653875021.db2.gz MSFWATCBPOQORB-LBPRGKRZSA-N 1 2 390.281 2.465 20 0 GEADLO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896526041 653882628 /nfs/dbraw/zinc/88/26/28/653882628.db2.gz FNFDXOLLAVPTJU-XYQSWSQNSA-N 1 2 392.341 2.085 20 0 GEADLO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)[C@@H]1CN(C)CC[N@H+]1C ZINC000896526041 653882629 /nfs/dbraw/zinc/88/26/29/653882629.db2.gz FNFDXOLLAVPTJU-XYQSWSQNSA-N 1 2 392.341 2.085 20 0 GEADLO C[C@@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896544465 653884126 /nfs/dbraw/zinc/88/41/26/653884126.db2.gz FPZIXCRWKFXNBG-DGCLKSJQSA-N 1 2 381.933 2.166 20 0 GEADLO C[C@@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@H]1CN(C)CC[N@H+]1C ZINC000896544465 653884128 /nfs/dbraw/zinc/88/41/28/653884128.db2.gz FPZIXCRWKFXNBG-DGCLKSJQSA-N 1 2 381.933 2.166 20 0 GEADLO CCON(C)C(=O)C[NH2+]Cc1c(F)ccc(I)c1F ZINC000846064716 653885798 /nfs/dbraw/zinc/88/57/98/653885798.db2.gz UORBCHBLXBMERJ-UHFFFAOYSA-N 1 2 384.164 2.069 20 0 GEADLO Cc1c[nH+]c(N[C@H](CCO)C(F)(F)F)nc1N[C@@H](CCO)C(F)(F)F ZINC000884835028 653890747 /nfs/dbraw/zinc/89/07/47/653890747.db2.gz JKEIJYUMBBUVDF-DTWKUNHWSA-N 1 2 376.301 2.235 20 0 GEADLO C[NH+]1CCC(CN2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C(F)(F)F)CC1 ZINC000896785339 653894735 /nfs/dbraw/zinc/89/47/35/653894735.db2.gz PHSJDGAQIIIIJK-VXGBXAGGSA-N 1 2 375.357 2.402 20 0 GEADLO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC000824454947 653896008 /nfs/dbraw/zinc/89/60/08/653896008.db2.gz MAWUGZDBKUPSRP-GFCCVEGCSA-N 1 2 379.258 2.371 20 0 GEADLO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC000824454947 653896012 /nfs/dbraw/zinc/89/60/12/653896012.db2.gz MAWUGZDBKUPSRP-GFCCVEGCSA-N 1 2 379.258 2.371 20 0 GEADLO Cc1[nH]c(CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)[nH+]c1C ZINC000896913353 653899194 /nfs/dbraw/zinc/89/91/94/653899194.db2.gz DUZGBNVMYQPNIS-UHFFFAOYSA-N 1 2 379.214 2.050 20 0 GEADLO Cc1[nH]c(CNC(=O)CCNC(=O)c2ccc(Br)cc2)[nH+]c1C ZINC000896929039 653899685 /nfs/dbraw/zinc/89/96/85/653899685.db2.gz ISJIYWBJVWECBQ-UHFFFAOYSA-N 1 2 379.258 2.225 20 0 GEADLO Cc1[nH]c(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)[nH+]c1C ZINC000896922504 653899740 /nfs/dbraw/zinc/89/97/40/653899740.db2.gz RPMDBQAIXILCEX-LBPRGKRZSA-N 1 2 391.269 2.458 20 0 GEADLO CCN1C[C@H](C[N@H+](CCO)Cc2cc(Br)ccc2F)OC1=O ZINC000846798033 653910805 /nfs/dbraw/zinc/91/08/05/653910805.db2.gz XOOFEHSFBCENRN-ZDUSSCGKSA-N 1 2 375.238 2.223 20 0 GEADLO CCN1C[C@H](C[N@@H+](CCO)Cc2cc(Br)ccc2F)OC1=O ZINC000846798033 653910812 /nfs/dbraw/zinc/91/08/12/653910812.db2.gz XOOFEHSFBCENRN-ZDUSSCGKSA-N 1 2 375.238 2.223 20 0 GEADLO Cc1cc(Br)ccc1CS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000885120073 653913445 /nfs/dbraw/zinc/91/34/45/653913445.db2.gz SCSIMIUYWVDZOW-AWEZNQCLSA-N 1 2 384.299 2.388 20 0 GEADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000794653829 653915695 /nfs/dbraw/zinc/91/56/95/653915695.db2.gz BAMWDEJTLXOVIW-ONGXEEELSA-N 1 2 375.372 2.269 20 0 GEADLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000794653829 653915698 /nfs/dbraw/zinc/91/56/98/653915698.db2.gz BAMWDEJTLXOVIW-ONGXEEELSA-N 1 2 375.372 2.269 20 0 GEADLO COc1ccc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc1Br ZINC000847177705 653919205 /nfs/dbraw/zinc/91/92/05/653919205.db2.gz KBHQSLLISWSOJI-UTUOFQBUSA-N 1 2 386.290 2.080 20 0 GEADLO COc1ccc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc1Br ZINC000847177705 653919207 /nfs/dbraw/zinc/91/92/07/653919207.db2.gz KBHQSLLISWSOJI-UTUOFQBUSA-N 1 2 386.290 2.080 20 0 GEADLO O=C(COCCc1ccc(Br)cc1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000897730106 653935212 /nfs/dbraw/zinc/93/52/12/653935212.db2.gz JDTPSFMSAWMKEG-OAHLLOKOSA-N 1 2 378.270 2.336 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)CCC(C)(C)CC)CC1 ZINC000867474785 653937523 /nfs/dbraw/zinc/93/75/23/653937523.db2.gz ZJVRCFPAUHMJCU-UHFFFAOYSA-N 1 2 375.579 2.065 20 0 GEADLO Cc1nn(C)c(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)c1Cl ZINC000897977131 653946594 /nfs/dbraw/zinc/94/65/94/653946594.db2.gz BNUMJTIIDYLUPW-SNVBAGLBSA-N 1 2 384.665 2.192 20 0 GEADLO COc1cc(I)ccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000867537440 653948191 /nfs/dbraw/zinc/94/81/91/653948191.db2.gz JMJLDCJUCFHZQS-LLVKDONJSA-N 1 2 397.216 2.241 20 0 GEADLO COC(=O)c1cc(C2C[NH+](Cc3cccc(I)c3)C2)[nH]n1 ZINC000898004232 653949573 /nfs/dbraw/zinc/94/95/73/653949573.db2.gz BRBNJOZHARIPSF-UHFFFAOYSA-N 1 2 397.216 2.400 20 0 GEADLO O=C(COCCc1ccc(Br)cc1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000898099521 653953523 /nfs/dbraw/zinc/95/35/23/653953523.db2.gz SGKGFFHOGYJMOD-HNNXBMFYSA-N 1 2 378.270 2.336 20 0 GEADLO C[C@H](O)C[NH+]1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000826646757 653955693 /nfs/dbraw/zinc/95/56/93/653955693.db2.gz JVGDXLNFGUUVAV-NSHDSACASA-N 1 2 377.229 2.066 20 0 GEADLO CO[C@H]1C[C@@H]([N@H+](C)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000795675164 653962691 /nfs/dbraw/zinc/96/26/91/653962691.db2.gz PVNYADBINOVQTJ-VBQJREDUSA-N 1 2 396.285 2.283 20 0 GEADLO CO[C@H]1C[C@@H]([N@@H+](C)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000795675164 653962695 /nfs/dbraw/zinc/96/26/95/653962695.db2.gz PVNYADBINOVQTJ-VBQJREDUSA-N 1 2 396.285 2.283 20 0 GEADLO CO[C@@H](C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000795751773 653964905 /nfs/dbraw/zinc/96/49/05/653964905.db2.gz ZHAUZMOUNAAYRK-MEDUHNTESA-N 1 2 384.274 2.140 20 0 GEADLO CO[C@@H](C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000795751773 653964913 /nfs/dbraw/zinc/96/49/13/653964913.db2.gz ZHAUZMOUNAAYRK-MEDUHNTESA-N 1 2 384.274 2.140 20 0 GEADLO CO[C@H](C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000795749074 653964971 /nfs/dbraw/zinc/96/49/71/653964971.db2.gz FAFVKSGTGLAZCH-OTYXRUKQSA-N 1 2 390.303 2.202 20 0 GEADLO CO[C@H](C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000795749074 653964976 /nfs/dbraw/zinc/96/49/76/653964976.db2.gz FAFVKSGTGLAZCH-OTYXRUKQSA-N 1 2 390.303 2.202 20 0 GEADLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC000826999781 653969964 /nfs/dbraw/zinc/96/99/64/653969964.db2.gz BBOFXJFKTSKPAV-LBPRGKRZSA-N 1 2 390.196 2.457 20 0 GEADLO O=C1OCCN1[C@H]1CC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000826999781 653969967 /nfs/dbraw/zinc/96/99/67/653969967.db2.gz BBOFXJFKTSKPAV-LBPRGKRZSA-N 1 2 390.196 2.457 20 0 GEADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccc(I)c(O)c1 ZINC000898499890 653974411 /nfs/dbraw/zinc/97/44/11/653974411.db2.gz SXSCZHWYCQXHNE-LLVKDONJSA-N 1 2 392.212 2.161 20 0 GEADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccc(I)c(O)c1 ZINC000898499890 653974412 /nfs/dbraw/zinc/97/44/12/653974412.db2.gz SXSCZHWYCQXHNE-LLVKDONJSA-N 1 2 392.212 2.161 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000795958250 653980165 /nfs/dbraw/zinc/98/01/65/653980165.db2.gz NPAGKWQUTFEWPB-QFIPXVFZSA-N 1 2 386.315 2.086 20 0 GEADLO CN(C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000827267520 653983744 /nfs/dbraw/zinc/98/37/44/653983744.db2.gz ZXCAXIHTPFZNDM-CQSZACIVSA-N 1 2 376.400 2.146 20 0 GEADLO CC(C)Oc1cc(Br)ccc1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898884449 653990642 /nfs/dbraw/zinc/99/06/42/653990642.db2.gz QVYFAKRZXCLCLF-CYBMUJFWSA-N 1 2 382.258 2.433 20 0 GEADLO COc1cc(Br)c(Cl)cc1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898891438 653991084 /nfs/dbraw/zinc/99/10/84/653991084.db2.gz IVZSSSIVIIAODL-NSHDSACASA-N 1 2 388.649 2.308 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000898897049 653991430 /nfs/dbraw/zinc/99/14/30/653991430.db2.gz ZTFSOASLKCHXST-ZDUSSCGKSA-N 1 2 382.233 2.203 20 0 GEADLO C[C@@]1(Cc2cccc(Br)c2)CCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000886640049 653993864 /nfs/dbraw/zinc/99/38/64/653993864.db2.gz QGCUIBJXKKQRAU-INIZCTEOSA-N 1 2 377.290 2.396 20 0 GEADLO C[C@@]1(Cc2cccc(Br)c2)CCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000886640049 653993868 /nfs/dbraw/zinc/99/38/68/653993868.db2.gz QGCUIBJXKKQRAU-INIZCTEOSA-N 1 2 377.290 2.396 20 0 GEADLO CCc1ccc(CNC(=O)C[N@@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)s1 ZINC000796292968 653995499 /nfs/dbraw/zinc/99/54/99/653995499.db2.gz ITIHBXYXFXCIAG-HNNXBMFYSA-N 1 2 378.416 2.354 20 0 GEADLO CCc1ccc(CNC(=O)C[N@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)s1 ZINC000796292968 653995501 /nfs/dbraw/zinc/99/55/01/653995501.db2.gz ITIHBXYXFXCIAG-HNNXBMFYSA-N 1 2 378.416 2.354 20 0 GEADLO O=S1(=O)CCC[C@H]([NH2+]Cc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000886722230 653995646 /nfs/dbraw/zinc/99/56/46/653995646.db2.gz ZHHRWCWPXHGOTQ-AWEZNQCLSA-N 1 2 384.299 2.302 20 0 GEADLO OCCOCC1(O)CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000886749512 653997947 /nfs/dbraw/zinc/99/79/47/653997947.db2.gz VFAZRTLIBKZNOO-UHFFFAOYSA-N 1 2 378.694 2.438 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000899180102 654003031 /nfs/dbraw/zinc/00/30/31/654003031.db2.gz SVOCZSUQDUCAOR-LBPRGKRZSA-N 1 2 396.232 2.239 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000899180102 654003034 /nfs/dbraw/zinc/00/30/34/654003034.db2.gz SVOCZSUQDUCAOR-LBPRGKRZSA-N 1 2 396.232 2.239 20 0 GEADLO CCOC(=O)CS[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(F)(F)F ZINC000899183750 654003228 /nfs/dbraw/zinc/00/32/28/654003228.db2.gz JEFBMTSJQCOJBC-NSHDSACASA-N 1 2 381.420 2.270 20 0 GEADLO O=C(N[C@@H]1COc2cccc(Br)c2C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000828027188 654017018 /nfs/dbraw/zinc/01/70/18/654017018.db2.gz OABZAPJIJAOMRO-NEPJUHHUSA-N 1 2 376.254 2.328 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000868150921 654020741 /nfs/dbraw/zinc/02/07/41/654020741.db2.gz OOZFBNZJRWRWQU-WZHGYECESA-N 1 2 380.286 2.300 20 0 GEADLO O=C(NCc1ncc(Br)s1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000868436187 654035934 /nfs/dbraw/zinc/03/59/34/654035934.db2.gz KFRVHCGBDCYFSK-JTQLQIEISA-N 1 2 382.287 2.379 20 0 GEADLO COC(=O)c1cc(C2C[NH+](C[C@@H](O)c3cccc(Br)c3)C2)[nH]n1 ZINC000899914315 654036811 /nfs/dbraw/zinc/03/68/11/654036811.db2.gz MMSBKBNZURUGCE-OAHLLOKOSA-N 1 2 380.242 2.092 20 0 GEADLO COc1ccc(Br)c(CNC(=O)/C=C(\C)C[NH+]2CCOCC2)c1 ZINC000900260308 654056693 /nfs/dbraw/zinc/05/66/93/654056693.db2.gz BFGNTDHGYJKFOH-UKTHLTGXSA-N 1 2 383.286 2.352 20 0 GEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000798321499 654058653 /nfs/dbraw/zinc/05/86/53/654058653.db2.gz VKAJOISSWPKGDH-CQSZACIVSA-N 1 2 384.889 2.029 20 0 GEADLO O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000900543400 654069500 /nfs/dbraw/zinc/06/95/00/654069500.db2.gz YNTXVTHWTDVWEC-JTQLQIEISA-N 1 2 382.251 2.248 20 0 GEADLO C[N@H+](CCO)Cc1cn(CCCCOc2ccc(Br)cc2)nn1 ZINC000900622651 654073404 /nfs/dbraw/zinc/07/34/04/654073404.db2.gz RBJYMSRMACTRRU-UHFFFAOYSA-N 1 2 383.290 2.324 20 0 GEADLO C[N@@H+](CCO)Cc1cn(CCCCOc2ccc(Br)cc2)nn1 ZINC000900622651 654073405 /nfs/dbraw/zinc/07/34/05/654073405.db2.gz RBJYMSRMACTRRU-UHFFFAOYSA-N 1 2 383.290 2.324 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC000850455687 654077747 /nfs/dbraw/zinc/07/77/47/654077747.db2.gz NXRRDJRLCHDLIA-UHFFFAOYSA-N 1 2 391.269 2.123 20 0 GEADLO CCn1c(Br)ncc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000900870040 654084870 /nfs/dbraw/zinc/08/48/70/654084870.db2.gz DYFYWPCACJQPJH-UHFFFAOYSA-N 1 2 379.249 2.467 20 0 GEADLO CCn1c(Br)ncc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000900870040 654084874 /nfs/dbraw/zinc/08/48/74/654084874.db2.gz DYFYWPCACJQPJH-UHFFFAOYSA-N 1 2 379.249 2.467 20 0 GEADLO C[N@H+](CCCO)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000799739882 654108764 /nfs/dbraw/zinc/10/87/64/654108764.db2.gz RYEOMDIAXBZEGK-UHFFFAOYSA-N 1 2 396.372 2.400 20 0 GEADLO C[N@@H+](CCCO)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000799739882 654108769 /nfs/dbraw/zinc/10/87/69/654108769.db2.gz RYEOMDIAXBZEGK-UHFFFAOYSA-N 1 2 396.372 2.400 20 0 GEADLO CCn1c(Br)ncc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000901136945 654110776 /nfs/dbraw/zinc/11/07/76/654110776.db2.gz FUEGOZXZVZKDKN-UHFFFAOYSA-N 1 2 394.273 2.458 20 0 GEADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H](O)c1cccc(Br)c1 ZINC000901187298 654114020 /nfs/dbraw/zinc/11/40/20/654114020.db2.gz BGDGZFLFIOAQML-GOEBONIOSA-N 1 2 376.254 2.273 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)C2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000800107503 654129608 /nfs/dbraw/zinc/12/96/08/654129608.db2.gz RDCZGQYUCYYBMD-LBPRGKRZSA-N 1 2 382.254 2.489 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)C2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000800107503 654129614 /nfs/dbraw/zinc/12/96/14/654129614.db2.gz RDCZGQYUCYYBMD-LBPRGKRZSA-N 1 2 382.254 2.489 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000889210347 654131806 /nfs/dbraw/zinc/13/18/06/654131806.db2.gz GXCGXQRBEBXVRF-BDAKNGLRSA-N 1 2 383.802 2.323 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000889210347 654131809 /nfs/dbraw/zinc/13/18/09/654131809.db2.gz GXCGXQRBEBXVRF-BDAKNGLRSA-N 1 2 383.802 2.323 20 0 GEADLO Cn1nc(C(F)(F)F)c(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1Cl ZINC000889210658 654132118 /nfs/dbraw/zinc/13/21/18/654132118.db2.gz RGMMKZZHZLRJRE-VIFPVBQESA-N 1 2 381.786 2.031 20 0 GEADLO CC(=O)N[C@@H](C(=O)OCCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000869976201 654133884 /nfs/dbraw/zinc/13/38/84/654133884.db2.gz DYOHZXXISBUSFF-OAHLLOKOSA-N 1 2 380.242 2.146 20 0 GEADLO CC(C)n1ncc(C(=O)OCCc2c[nH+]cn2C)c1I ZINC000869979580 654136133 /nfs/dbraw/zinc/13/61/33/654136133.db2.gz YAXQIBIURPWWTK-UHFFFAOYSA-N 1 2 388.209 2.202 20 0 GEADLO Cc1cc2c(CC(=O)N3CCO[C@@H](C[NH+]4CCOCC4)C3)csc2s1 ZINC000870077623 654142613 /nfs/dbraw/zinc/14/26/13/654142613.db2.gz OGSVOETVOYPLEQ-HNNXBMFYSA-N 1 2 380.535 2.373 20 0 GEADLO COc1cccc([C@H]2CN(C(=O)CCn3cc(Br)cn3)CC[NH2+]2)c1 ZINC000870149436 654146462 /nfs/dbraw/zinc/14/64/62/654146462.db2.gz JJNDOMRCZVNTMI-MRXNPFEDSA-N 1 2 393.285 2.217 20 0 GEADLO C[N@H+](CCOc1ccc(Br)cc1)CN1C[C@]2(CCCOC2)C1=O ZINC000902035682 654162745 /nfs/dbraw/zinc/16/27/45/654162745.db2.gz UPEHXOUECZXRID-KRWDZBQOSA-N 1 2 383.286 2.356 20 0 GEADLO C[N@@H+](CCOc1ccc(Br)cc1)CN1C[C@]2(CCCOC2)C1=O ZINC000902035682 654162750 /nfs/dbraw/zinc/16/27/50/654162750.db2.gz UPEHXOUECZXRID-KRWDZBQOSA-N 1 2 383.286 2.356 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)SCc2csc(-c3ccn(C)n3)n2)CC1 ZINC000902508296 654180269 /nfs/dbraw/zinc/18/02/69/654180269.db2.gz WCABJOKUQFVHBP-ZDUSSCGKSA-N 1 2 379.555 2.329 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)SCc2csc(-c3ccn(C)n3)n2)CC1 ZINC000902508294 654180329 /nfs/dbraw/zinc/18/03/29/654180329.db2.gz WCABJOKUQFVHBP-CYBMUJFWSA-N 1 2 379.555 2.329 20 0 GEADLO Cc1cc(C)c(C(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)c(C)[nH+]1 ZINC000889817484 654180602 /nfs/dbraw/zinc/18/06/02/654180602.db2.gz WWUJVHQYSPHUCT-CYBMUJFWSA-N 1 2 389.253 2.458 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH+](CC[C@H]3COC(C)(C)O3)CC2)c(C)s1 ZINC000851826456 654184314 /nfs/dbraw/zinc/18/43/14/654184314.db2.gz MNBZXECATJARKZ-HNNXBMFYSA-N 1 2 388.555 2.213 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cccc(F)c1Br ZINC000890023110 654193154 /nfs/dbraw/zinc/19/31/54/654193154.db2.gz TZGPXTMNTKNEEJ-UHFFFAOYSA-N 1 2 383.221 2.272 20 0 GEADLO CN(C)c1ncnc(Cl)c1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000801507530 654198807 /nfs/dbraw/zinc/19/88/07/654198807.db2.gz FWHUMHGMAQHHIQ-UHFFFAOYSA-N 1 2 379.814 2.087 20 0 GEADLO CCCn1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)nn1 ZINC000902981112 654206481 /nfs/dbraw/zinc/20/64/81/654206481.db2.gz HWJDLMYSXDWTBZ-NSHDSACASA-N 1 2 389.884 2.110 20 0 GEADLO CCCn1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)nn1 ZINC000902983429 654207098 /nfs/dbraw/zinc/20/70/98/654207098.db2.gz ZKQVIAKQYJFZCH-NSHDSACASA-N 1 2 389.884 2.110 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000890202988 654208443 /nfs/dbraw/zinc/20/84/43/654208443.db2.gz XPBFOFQQPLBZBV-UHFFFAOYSA-N 1 2 392.179 2.363 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000890202988 654208451 /nfs/dbraw/zinc/20/84/51/654208451.db2.gz XPBFOFQQPLBZBV-UHFFFAOYSA-N 1 2 392.179 2.363 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000851960147 654208696 /nfs/dbraw/zinc/20/86/96/654208696.db2.gz GHGLNXKDQUOKID-IAQYHMDHSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000870943787 654211580 /nfs/dbraw/zinc/21/15/80/654211580.db2.gz VMGLTPZPIIMCHO-KSSFIOAISA-N 1 2 392.297 2.318 20 0 GEADLO O[C@@H](C[NH+]1CCC(O)(c2scnc2Br)CC1)c1ccccn1 ZINC000852006949 654212600 /nfs/dbraw/zinc/21/26/00/654212600.db2.gz VXCHIFJCJZYHQS-LBPRGKRZSA-N 1 2 384.299 2.318 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccc(F)cc1Cl)C[C@@H](O)CO ZINC000852179665 654223470 /nfs/dbraw/zinc/22/34/70/654223470.db2.gz LLBFKIBHNAMQLI-CQSZACIVSA-N 1 2 376.856 2.159 20 0 GEADLO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccc(F)cc1Cl)C[C@@H](O)CO ZINC000852179665 654223472 /nfs/dbraw/zinc/22/34/72/654223472.db2.gz LLBFKIBHNAMQLI-CQSZACIVSA-N 1 2 376.856 2.159 20 0 GEADLO COC(=O)c1n[nH]c2c1C[N@H+](C[C@@H](O)c1ccc(Br)cc1)CC2 ZINC000831997925 654223406 /nfs/dbraw/zinc/22/34/06/654223406.db2.gz MWBPJFQLOREJKM-CQSZACIVSA-N 1 2 380.242 2.051 20 0 GEADLO COC(=O)c1n[nH]c2c1C[N@@H+](C[C@@H](O)c1ccc(Br)cc1)CC2 ZINC000831997925 654223416 /nfs/dbraw/zinc/22/34/16/654223416.db2.gz MWBPJFQLOREJKM-CQSZACIVSA-N 1 2 380.242 2.051 20 0 GEADLO COc1cc(OC)c([C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1Cl ZINC000903229646 654229905 /nfs/dbraw/zinc/22/99/05/654229905.db2.gz MBDBWTJRZSKTLT-JTQLQIEISA-N 1 2 398.934 2.065 20 0 GEADLO C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ncc(Br)cc1F ZINC000903290652 654232536 /nfs/dbraw/zinc/23/25/36/654232536.db2.gz BEXZHYLZBZUXPL-JTQLQIEISA-N 1 2 380.283 2.059 20 0 GEADLO COC(=O)c1coc([C@@H](C)[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000903324074 654234258 /nfs/dbraw/zinc/23/42/58/654234258.db2.gz GVGDBNZTPIULSZ-PRHODGIISA-N 1 2 394.225 2.438 20 0 GEADLO CN(C)c1nc(C[NH2+]C[C@H]2CCCS2(=O)=O)c(Cl)n1-c1ccccc1 ZINC000802647527 654235045 /nfs/dbraw/zinc/23/50/45/654235045.db2.gz NCIDHMGZYATXDQ-CQSZACIVSA-N 1 2 382.917 2.259 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)NCc2nc(C[NH+](C)C)cs2)c1 ZINC000921105219 654236157 /nfs/dbraw/zinc/23/61/57/654236157.db2.gz PIXVWLCEFSMEKS-UHFFFAOYSA-N 1 2 375.903 2.345 20 0 GEADLO CN(C)C(=O)C1CC[NH+](CN2Cc3ccc(Br)cc3C2=O)CC1 ZINC000802723167 654236748 /nfs/dbraw/zinc/23/67/48/654236748.db2.gz BVARYQZIKRHZTR-UHFFFAOYSA-N 1 2 380.286 2.163 20 0 GEADLO CC(C)(C)OC(=O)NC1CC[NH+](CCNS(=O)(=O)c2ccsc2)CC1 ZINC000921150125 654237039 /nfs/dbraw/zinc/23/70/39/654237039.db2.gz FNLNOZYHGLWTKX-UHFFFAOYSA-N 1 2 389.543 2.016 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2ccncc2Br)CC1 ZINC000871542466 654242032 /nfs/dbraw/zinc/24/20/32/654242032.db2.gz FEQDMYQCDNDBDO-UHFFFAOYSA-N 1 2 398.301 2.380 20 0 GEADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2cccc(Br)n2)CC1 ZINC000871543529 654242051 /nfs/dbraw/zinc/24/20/51/654242051.db2.gz RTPOMGYGGPILPR-UHFFFAOYSA-N 1 2 398.301 2.380 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1OC(F)F ZINC000921324431 654248875 /nfs/dbraw/zinc/24/88/75/654248875.db2.gz YWBXKZYDRJSLSZ-RYUDHWBXSA-N 1 2 378.466 2.146 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccccc1OC(F)F ZINC000921324431 654248878 /nfs/dbraw/zinc/24/88/78/654248878.db2.gz YWBXKZYDRJSLSZ-RYUDHWBXSA-N 1 2 378.466 2.146 20 0 GEADLO O=C1O[C@H](C[N@@H+]2CCn3ncc(Br)c3C2)CN1c1ccccc1 ZINC000852626973 654252017 /nfs/dbraw/zinc/25/20/17/654252017.db2.gz ZXXSCVZDFYRSSK-CYBMUJFWSA-N 1 2 377.242 2.487 20 0 GEADLO O=C1O[C@H](C[N@H+]2CCn3ncc(Br)c3C2)CN1c1ccccc1 ZINC000852626973 654252023 /nfs/dbraw/zinc/25/20/23/654252023.db2.gz ZXXSCVZDFYRSSK-CYBMUJFWSA-N 1 2 377.242 2.487 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000921389509 654258694 /nfs/dbraw/zinc/25/86/94/654258694.db2.gz OXRUIANYOZBMDT-CQSZACIVSA-N 1 2 385.287 2.208 20 0 GEADLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000832414480 654265134 /nfs/dbraw/zinc/26/51/34/654265134.db2.gz JGPFNDGCGOSXLD-AWEZNQCLSA-N 1 2 387.933 2.147 20 0 GEADLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000832414480 654265137 /nfs/dbraw/zinc/26/51/37/654265137.db2.gz JGPFNDGCGOSXLD-AWEZNQCLSA-N 1 2 387.933 2.147 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CCOC3(CCSCC3)C2)n1 ZINC000921556035 654280410 /nfs/dbraw/zinc/28/04/10/654280410.db2.gz PXKYTCNPQBISDI-CYBMUJFWSA-N 1 2 384.571 2.449 20 0 GEADLO CC(C)(O)C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000871974087 654297260 /nfs/dbraw/zinc/29/72/60/654297260.db2.gz XGSCDGBPHAKVCN-GFCCVEGCSA-N 1 2 375.296 2.273 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)cc2Br)CC1 ZINC000832824177 654299002 /nfs/dbraw/zinc/29/90/02/654299002.db2.gz UKZPNEPOQUVJBE-VIKVFOODSA-N 1 2 380.286 2.032 20 0 GEADLO CCc1nn(CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)c(=S)s1 ZINC000853490490 654299229 /nfs/dbraw/zinc/29/92/29/654299229.db2.gz VNCNUVXEKDJQGQ-CQSZACIVSA-N 1 2 383.587 2.213 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000853524152 654300505 /nfs/dbraw/zinc/30/05/05/654300505.db2.gz KIUIIEGTYSPDGO-JTQLQIEISA-N 1 2 396.220 2.067 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000853524152 654300507 /nfs/dbraw/zinc/30/05/07/654300507.db2.gz KIUIIEGTYSPDGO-JTQLQIEISA-N 1 2 396.220 2.067 20 0 GEADLO C[C@H]([NH2+]Cc1nc(Br)c[nH]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000921669229 654302314 /nfs/dbraw/zinc/30/23/14/654302314.db2.gz AGMRKTYGLSHTMJ-JTQLQIEISA-N 1 2 387.303 2.273 20 0 GEADLO O=C(C[C@H]1COC(=O)C1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804269708 654304238 /nfs/dbraw/zinc/30/42/38/654304238.db2.gz AHTIDYPCRDTGQN-GFCCVEGCSA-N 1 2 396.241 2.221 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)CCc3ccc(S(C)(=O)=O)cc3)sc2C1 ZINC000891640461 654304473 /nfs/dbraw/zinc/30/44/73/654304473.db2.gz XXSHKUYLZDXPON-UHFFFAOYSA-N 1 2 379.507 2.106 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)CCc3ccc(S(C)(=O)=O)cc3)sc2C1 ZINC000891640461 654304477 /nfs/dbraw/zinc/30/44/77/654304477.db2.gz XXSHKUYLZDXPON-UHFFFAOYSA-N 1 2 379.507 2.106 20 0 GEADLO O=C1CCCN1C[C@H]1CC[N@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000853595184 654307172 /nfs/dbraw/zinc/30/71/72/654307172.db2.gz MIPQUYBJUFSAHS-ZDUSSCGKSA-N 1 2 377.539 2.121 20 0 GEADLO O=C1CCCN1C[C@H]1CC[N@@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000853595184 654307179 /nfs/dbraw/zinc/30/71/79/654307179.db2.gz MIPQUYBJUFSAHS-ZDUSSCGKSA-N 1 2 377.539 2.121 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000804438985 654310310 /nfs/dbraw/zinc/31/03/10/654310310.db2.gz TWDZFGFBQJVSRC-ISTRZQFTSA-N 1 2 395.297 2.074 20 0 GEADLO COc1ccc(Br)cc1[C@H](N)c1nc(Cc2c[nH+]cn2C)no1 ZINC000904647558 654314837 /nfs/dbraw/zinc/31/48/37/654314837.db2.gz VYXRPGTUFNRXLM-AWEZNQCLSA-N 1 2 378.230 2.213 20 0 GEADLO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ncc(Br)cc2O)CC1 ZINC000892055734 654327115 /nfs/dbraw/zinc/32/71/15/654327115.db2.gz VJNFVYZNZTUCJJ-OAHLLOKOSA-N 1 2 381.274 2.229 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000892097320 654328055 /nfs/dbraw/zinc/32/80/55/654328055.db2.gz WIOHDQXXBADWHX-GFCCVEGCSA-N 1 2 389.315 2.274 20 0 GEADLO CC(=O)Nc1cc(Br)ccc1C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000892097320 654328059 /nfs/dbraw/zinc/32/80/59/654328059.db2.gz WIOHDQXXBADWHX-GFCCVEGCSA-N 1 2 389.315 2.274 20 0 GEADLO CCOC1CC(CNC(=O)CC[C@H]2CC2(Cl)Cl)([NH+]2CCOCC2)C1 ZINC000834548356 654333542 /nfs/dbraw/zinc/33/35/42/654333542.db2.gz QGTYMDITBGAZPB-HLIUYOAVSA-N 1 2 379.328 2.347 20 0 GEADLO CNc1cc(N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc[nH+]1 ZINC000892195787 654333881 /nfs/dbraw/zinc/33/38/81/654333881.db2.gz BETMPMWTFQVTKZ-UHFFFAOYSA-N 1 2 387.918 2.134 20 0 GEADLO CNc1cc(N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[nH+]cn1 ZINC000892195787 654333885 /nfs/dbraw/zinc/33/38/85/654333885.db2.gz BETMPMWTFQVTKZ-UHFFFAOYSA-N 1 2 387.918 2.134 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCCSC[C@@H]1C1CC1 ZINC000892258666 654336916 /nfs/dbraw/zinc/33/69/16/654336916.db2.gz DOKDVCQUTNUAPH-SJLPKXTDSA-N 1 2 385.599 2.121 20 0 GEADLO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3nc(Br)cs3)C2=O)n(C)n1 ZINC000834672006 654341926 /nfs/dbraw/zinc/34/19/26/654341926.db2.gz AJRCDSLCXDYTRS-ZJUUUORDSA-N 1 2 384.303 2.404 20 0 GEADLO CC[C@@H](CO)Nc1cc(N2CCC(n3cc(Br)cn3)CC2)nc[nH+]1 ZINC000892444201 654346524 /nfs/dbraw/zinc/34/65/24/654346524.db2.gz OXKKKJQRUUNIJV-ZDUSSCGKSA-N 1 2 395.305 2.460 20 0 GEADLO CC[C@@H](CO)Nc1cc(N2CCC(n3cc(Br)cn3)CC2)[nH+]cn1 ZINC000892444201 654346527 /nfs/dbraw/zinc/34/65/27/654346527.db2.gz OXKKKJQRUUNIJV-ZDUSSCGKSA-N 1 2 395.305 2.460 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872480590 654351259 /nfs/dbraw/zinc/35/12/59/654351259.db2.gz YSEMYJQAUPFHEY-QHCPKHFHSA-N 1 2 378.564 2.299 20 0 GEADLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872480589 654351301 /nfs/dbraw/zinc/35/13/01/654351301.db2.gz YSEMYJQAUPFHEY-HSZRJFAPSA-N 1 2 378.564 2.299 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000922079476 654364307 /nfs/dbraw/zinc/36/43/07/654364307.db2.gz PQFVIWJWOVLJGC-STQMWFEESA-N 1 2 391.273 2.297 20 0 GEADLO O[C@]1(CNc2[nH+]cnc3c2cnn3-c2cccc(Br)c2)CCOC1 ZINC000892978498 654373505 /nfs/dbraw/zinc/37/35/05/654373505.db2.gz AEYPSWZXKAREJT-INIZCTEOSA-N 1 2 390.241 2.141 20 0 GEADLO CO[C@H]1CC[N@H+](CN2C(=O)C[C@@]3(CCc4cc(Br)ccc43)C2=O)C1 ZINC000872588471 654375893 /nfs/dbraw/zinc/37/58/93/654375893.db2.gz GYBZPEHWFACGTP-KBXCAEBGSA-N 1 2 393.281 2.070 20 0 GEADLO CO[C@H]1CC[N@@H+](CN2C(=O)C[C@@]3(CCc4cc(Br)ccc43)C2=O)C1 ZINC000872588471 654375896 /nfs/dbraw/zinc/37/58/96/654375896.db2.gz GYBZPEHWFACGTP-KBXCAEBGSA-N 1 2 393.281 2.070 20 0 GEADLO CO[C@H]1CC[N@H+](CN2C(=O)C[C@]3(CCc4cc(Br)ccc43)C2=O)C1 ZINC000872588473 654375958 /nfs/dbraw/zinc/37/59/58/654375958.db2.gz GYBZPEHWFACGTP-KSSFIOAISA-N 1 2 393.281 2.070 20 0 GEADLO CO[C@H]1CC[N@@H+](CN2C(=O)C[C@]3(CCc4cc(Br)ccc43)C2=O)C1 ZINC000872588473 654375963 /nfs/dbraw/zinc/37/59/63/654375963.db2.gz GYBZPEHWFACGTP-KSSFIOAISA-N 1 2 393.281 2.070 20 0 GEADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000922291308 654381713 /nfs/dbraw/zinc/38/17/13/654381713.db2.gz XEMZQXSSYDZFAB-OCCSQVGLSA-N 1 2 385.306 2.315 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000854933615 654389767 /nfs/dbraw/zinc/38/97/67/654389767.db2.gz CVTYKXGYOMPNBV-FMKPAKJESA-N 1 2 378.270 2.478 20 0 GEADLO CC(C)Cn1c(CCC(N)=O)nn(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c1=S ZINC000872722789 654392852 /nfs/dbraw/zinc/39/28/52/654392852.db2.gz UYTLCKNGSUVQEA-UONOGXRCSA-N 1 2 383.587 2.130 20 0 GEADLO CC(C)Cn1c(CCC(N)=O)nn(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c1=S ZINC000872722789 654392857 /nfs/dbraw/zinc/39/28/57/654392857.db2.gz UYTLCKNGSUVQEA-UONOGXRCSA-N 1 2 383.587 2.130 20 0 GEADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC[S@@](=O)CC(F)(F)F ZINC000855269126 654404765 /nfs/dbraw/zinc/40/47/65/654404765.db2.gz PONDFGGVSMZRAY-RUZDIDTESA-N 1 2 383.342 2.050 20 0 GEADLO C[C@]12CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C2(Br)Br ZINC000855323819 654411728 /nfs/dbraw/zinc/41/17/28/654411728.db2.gz KNZMUDRBRUQNQG-KCJUWKMLSA-N 1 2 377.080 2.307 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000906057730 654410693 /nfs/dbraw/zinc/41/06/93/654410693.db2.gz MQYRHNMDOWMOQB-QHCPKHFHSA-N 1 2 391.584 2.318 20 0 GEADLO CC[S@](C)(=O)=NS(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000906063771 654412067 /nfs/dbraw/zinc/41/20/67/654412067.db2.gz HWJVQEHWVPUPSK-QHCPKHFHSA-N 1 2 391.584 2.318 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)c1 ZINC000922821908 654415365 /nfs/dbraw/zinc/41/53/65/654415365.db2.gz LBOKCOCVBOPMHT-CQSZACIVSA-N 1 2 393.289 2.452 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc(Cl)ncc2Br)[C@@H](C)CO1 ZINC000855408816 654417661 /nfs/dbraw/zinc/41/76/61/654417661.db2.gz YTQOTZMURUIWJI-UWVGGRQHSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(Cl)ncc2Br)[C@@H](C)CO1 ZINC000855408816 654417668 /nfs/dbraw/zinc/41/76/68/654417668.db2.gz YTQOTZMURUIWJI-UWVGGRQHSA-N 1 2 376.682 2.337 20 0 GEADLO Cc1cc[nH+]c(N)c1CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000893880220 654428880 /nfs/dbraw/zinc/42/88/80/654428880.db2.gz LTGGKNFNBQSTRM-UHFFFAOYSA-N 1 2 380.901 2.132 20 0 GEADLO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000923238726 654435973 /nfs/dbraw/zinc/43/59/73/654435973.db2.gz NHZBUTFMWGQHPZ-CVEARBPZSA-N 1 2 385.302 2.353 20 0 GEADLO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000923238726 654435979 /nfs/dbraw/zinc/43/59/79/654435979.db2.gz NHZBUTFMWGQHPZ-CVEARBPZSA-N 1 2 385.302 2.353 20 0 GEADLO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000923238726 654435983 /nfs/dbraw/zinc/43/59/83/654435983.db2.gz NHZBUTFMWGQHPZ-CVEARBPZSA-N 1 2 385.302 2.353 20 0 GEADLO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000923238726 654435989 /nfs/dbraw/zinc/43/59/89/654435989.db2.gz NHZBUTFMWGQHPZ-CVEARBPZSA-N 1 2 385.302 2.353 20 0 GEADLO Cn1ncc(I)c1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000894033108 654441109 /nfs/dbraw/zinc/44/11/09/654441109.db2.gz ZWKFBRCLXCOQPM-UHFFFAOYSA-N 1 2 375.254 2.417 20 0 GEADLO Cn1ncc(I)c1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000894033108 654441111 /nfs/dbraw/zinc/44/11/11/654441111.db2.gz ZWKFBRCLXCOQPM-UHFFFAOYSA-N 1 2 375.254 2.417 20 0 GEADLO CO[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000906581984 654450964 /nfs/dbraw/zinc/45/09/64/654450964.db2.gz KJHZILVCUCHNFG-MJVIPROJSA-N 1 2 391.331 2.424 20 0 GEADLO Cn1nc(Br)nc1C[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000894157830 654451337 /nfs/dbraw/zinc/45/13/37/654451337.db2.gz JRCFSMKETLTRHB-UHFFFAOYSA-N 1 2 392.301 2.494 20 0 GEADLO CCC(CC)[C@H](C(=O)N1CCn2ncc(Br)c2C1)[NH+]1CCOCC1 ZINC000856010117 654454463 /nfs/dbraw/zinc/45/44/63/654454463.db2.gz AEBHIYAVFOOXIM-MRXNPFEDSA-N 1 2 399.333 2.125 20 0 GEADLO CCNC(=O)c1cccc(C[NH2+]Cc2cn(C)nc2I)c1 ZINC000894199476 654454980 /nfs/dbraw/zinc/45/49/80/654454980.db2.gz KYQRCRCQKHGESE-UHFFFAOYSA-N 1 2 398.248 2.064 20 0 GEADLO O=C(NCc1cnc(Br)cn1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000923526001 654461363 /nfs/dbraw/zinc/46/13/63/654461363.db2.gz MQYRLNRQJKZKIR-UHFFFAOYSA-N 1 2 396.314 2.328 20 0 GEADLO COc1ccc(C[NH2+]Cc2cn(C)nc2I)c(F)c1 ZINC000894330708 654466169 /nfs/dbraw/zinc/46/61/69/654466169.db2.gz QHUUGXJBIZTUQA-UHFFFAOYSA-N 1 2 375.185 2.462 20 0 GEADLO O=C(OCc1ccc(Cl)nc1Cl)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923777905 654483400 /nfs/dbraw/zinc/48/34/00/654483400.db2.gz TVXLWZGWPLXTHH-OLZOCXBDSA-N 1 2 375.252 2.311 20 0 GEADLO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]([NH2+]Cc2c[nH]cn2)C1 ZINC000894554254 654486041 /nfs/dbraw/zinc/48/60/41/654486041.db2.gz WAFZJXQSUHYYDR-ZDUSSCGKSA-N 1 2 399.314 2.115 20 0 GEADLO Cc1n[nH]cc1C1CC[NH+](Cc2c(I)cnn2C)CC1 ZINC000894690189 654494345 /nfs/dbraw/zinc/49/43/45/654494345.db2.gz MUOLXOWFNKRCQE-UHFFFAOYSA-N 1 2 385.253 2.436 20 0 GEADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1sc(N2CCOCC2)nc1Cl ZINC000894784754 654498891 /nfs/dbraw/zinc/49/88/91/654498891.db2.gz OHUJASHRXWDSDU-GFCCVEGCSA-N 1 2 388.921 2.344 20 0 GEADLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1sc(N2CCOCC2)nc1Cl ZINC000894784754 654498895 /nfs/dbraw/zinc/49/88/95/654498895.db2.gz OHUJASHRXWDSDU-GFCCVEGCSA-N 1 2 388.921 2.344 20 0 GEADLO C[C@@H](c1noc(C(C)(C)C[NH+]2CCOCC2)n1)n1cc(Br)cn1 ZINC000924107691 654501096 /nfs/dbraw/zinc/50/10/96/654501096.db2.gz XINUFWHQSZFYNX-NSHDSACASA-N 1 2 384.278 2.248 20 0 GEADLO CC(C)[C@]1(CO)CCC[N@H+](Cc2c(I)cnn2C)C1 ZINC000894865252 654503096 /nfs/dbraw/zinc/50/30/96/654503096.db2.gz QCYYFHQWCPSVFB-CQSZACIVSA-N 1 2 377.270 2.255 20 0 GEADLO CC(C)[C@]1(CO)CCC[N@@H+](Cc2c(I)cnn2C)C1 ZINC000894865252 654503098 /nfs/dbraw/zinc/50/30/98/654503098.db2.gz QCYYFHQWCPSVFB-CQSZACIVSA-N 1 2 377.270 2.255 20 0 GEADLO CSC[C@H]1NC(=O)N(CCc2cn3cc(Br)cc(C)c3[nH+]2)C1=O ZINC000924758040 654523650 /nfs/dbraw/zinc/52/36/50/654523650.db2.gz VTNRKPGUDFOPIK-GFCCVEGCSA-N 1 2 397.298 2.231 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NC[C@H]2CCCN2CC(F)(F)F)n1 ZINC000924787283 654524761 /nfs/dbraw/zinc/52/47/61/654524761.db2.gz DPQCBJCPTVKCFL-GFCCVEGCSA-N 1 2 379.452 2.031 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)NC[C@H](O)Cc2cccc(Cl)c2)n1 ZINC000924792143 654525063 /nfs/dbraw/zinc/52/50/63/654525063.db2.gz SGPXDPJGASFXEV-OAHLLOKOSA-N 1 2 382.917 2.261 20 0 GEADLO COC(=O)c1cnc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000924961939 654529565 /nfs/dbraw/zinc/52/95/65/654529565.db2.gz XUKVICZVFBROHG-UHFFFAOYSA-N 1 2 380.495 2.019 20 0 GEADLO O=S(=O)(CC[C@H]1CC1(Cl)Cl)N1CC[NH+](CCc2ccncc2)CC1 ZINC000907345082 654534032 /nfs/dbraw/zinc/53/40/32/654534032.db2.gz VLFYTTRQLKFMPB-HNNXBMFYSA-N 1 2 392.352 2.155 20 0 GEADLO C[C@@H](c1cccc(Br)c1)N1CC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925298711 654540258 /nfs/dbraw/zinc/54/02/58/654540258.db2.gz JHIZBWICOKWBOR-WFASDCNBSA-N 1 2 396.285 2.105 20 0 GEADLO C[C@@H](c1cccc(Br)c1)N1CC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925298711 654540262 /nfs/dbraw/zinc/54/02/62/654540262.db2.gz JHIZBWICOKWBOR-WFASDCNBSA-N 1 2 396.285 2.105 20 0 GEADLO C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1cc(CO)on1 ZINC000926298309 654567499 /nfs/dbraw/zinc/56/74/99/654567499.db2.gz IFSLGIHMCNOGCD-HZMBPMFUSA-N 1 2 380.242 2.386 20 0 GEADLO C[C@@H](NCc1nn(C)cc1I)c1cn2c([nH+]1)CCCC2 ZINC000926542371 654574744 /nfs/dbraw/zinc/57/47/44/654574744.db2.gz SDFZZDFVGDITFC-SNVBAGLBSA-N 1 2 385.253 2.408 20 0 GEADLO C[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)C(F)(F)c1ccc(Br)cc1 ZINC000926573863 654575463 /nfs/dbraw/zinc/57/54/63/654575463.db2.gz QSTAQHCRTGJWJC-MFKMUULPSA-N 1 2 375.217 2.172 20 0 GEADLO CN(C)[C@@H](CCNC(=O)N1CC[NH+](Cc2cccs2)CC1)C(F)(F)F ZINC000926810574 654582511 /nfs/dbraw/zinc/58/25/11/654582511.db2.gz UDAGTFHBDZZFHN-AWEZNQCLSA-N 1 2 378.464 2.458 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccn2ncc(Br)c12 ZINC000908144529 654608336 /nfs/dbraw/zinc/60/83/36/654608336.db2.gz HQNNLXRVWGWHHX-OLZOCXBDSA-N 1 2 393.285 2.032 20 0 GEADLO COc1ncc(C(=O)NCc2nc(C[NH+](C)C)cs2)cc1Br ZINC000927763653 654612628 /nfs/dbraw/zinc/61/26/28/654612628.db2.gz ICRCWIRYSCOUPH-UHFFFAOYSA-N 1 2 385.287 2.301 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2cccc(S(=O)(=O)C(F)F)c2)n1 ZINC000927763663 654612677 /nfs/dbraw/zinc/61/26/77/654612677.db2.gz INHWPNHOIOCSDV-UHFFFAOYSA-N 1 2 389.449 2.131 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)[C@H](O)c2cccc(Br)c2)n1 ZINC000927762414 654612736 /nfs/dbraw/zinc/61/27/36/654612736.db2.gz ZXTKWAGVAKMERL-CQSZACIVSA-N 1 2 384.299 2.317 20 0 GEADLO CC(C)S(=O)(=O)c1ccccc1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927772132 654613418 /nfs/dbraw/zinc/61/34/18/654613418.db2.gz UESYOGNJVLYTPR-UHFFFAOYSA-N 1 2 381.523 2.317 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1I ZINC000928635412 654653757 /nfs/dbraw/zinc/65/37/57/654653757.db2.gz LKGFLKWFSSOBPG-GFCCVEGCSA-N 1 2 388.249 2.132 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000928648589 654654149 /nfs/dbraw/zinc/65/41/49/654654149.db2.gz VLVSFWANPBXULX-CYBMUJFWSA-N 1 2 396.285 2.360 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000909704962 654672263 /nfs/dbraw/zinc/67/22/63/654672263.db2.gz RCJBUWCWMOMIBV-LBPRGKRZSA-N 1 2 378.226 2.394 20 0 GEADLO C[C@H]1CS(=O)(=O)CCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000929321861 654679432 /nfs/dbraw/zinc/67/94/32/654679432.db2.gz VCQVQESSHKEREK-ZDUSSCGKSA-N 1 2 386.543 2.170 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000929340145 654680306 /nfs/dbraw/zinc/68/03/06/654680306.db2.gz MKLGQYFPSLNGJQ-UHFFFAOYSA-N 1 2 385.306 2.203 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000929365058 654681377 /nfs/dbraw/zinc/68/13/77/654681377.db2.gz VNAJZAIFEWFEST-ZDUSSCGKSA-N 1 2 397.317 2.299 20 0 GEADLO Cn1ncc(Br)c1C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910778508 654710849 /nfs/dbraw/zinc/71/08/49/654710849.db2.gz WXUXFIJDMPONER-UHFFFAOYSA-N 1 2 375.270 2.283 20 0 GEADLO Cn1ncc(Br)c1C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910778508 654710853 /nfs/dbraw/zinc/71/08/53/654710853.db2.gz WXUXFIJDMPONER-UHFFFAOYSA-N 1 2 375.270 2.283 20 0 GEADLO COC(=O)c1cc(Br)c(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)cc1OC ZINC000930564135 654713888 /nfs/dbraw/zinc/71/38/88/654713888.db2.gz JTFWXMZIJQFNJZ-LBPRGKRZSA-N 1 2 399.285 2.297 20 0 GEADLO COC(=O)c1cc(Br)c(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)cc1OC ZINC000930564135 654713891 /nfs/dbraw/zinc/71/38/91/654713891.db2.gz JTFWXMZIJQFNJZ-LBPRGKRZSA-N 1 2 399.285 2.297 20 0 GEADLO COC(=O)c1ccc(Br)c(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c1 ZINC000930967333 654725107 /nfs/dbraw/zinc/72/51/07/654725107.db2.gz VTAXWVGMJSSFTM-ZDUSSCGKSA-N 1 2 383.242 2.262 20 0 GEADLO COC(=O)c1ccc(Br)c(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c1 ZINC000930967333 654725109 /nfs/dbraw/zinc/72/51/09/654725109.db2.gz VTAXWVGMJSSFTM-ZDUSSCGKSA-N 1 2 383.242 2.262 20 0 GEADLO Cn1[nH]c(=O)c2c1C[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)CC2 ZINC000931195591 654732986 /nfs/dbraw/zinc/73/29/86/654732986.db2.gz AHZZGGAJQFTGFG-UHFFFAOYSA-N 1 2 383.279 2.150 20 0 GEADLO Cn1[nH]c(=O)c2c1C[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)CC2 ZINC000931195591 654732989 /nfs/dbraw/zinc/73/29/89/654732989.db2.gz AHZZGGAJQFTGFG-UHFFFAOYSA-N 1 2 383.279 2.150 20 0 GEADLO Cc1nc2c(c(=O)[nH]1)C[N@@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000931314182 654738201 /nfs/dbraw/zinc/73/82/01/654738201.db2.gz YBMAYARECNPYCX-HNNXBMFYSA-N 1 2 389.253 2.374 20 0 GEADLO Cc1nc2c(c(=O)[nH]1)C[N@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000931314182 654738203 /nfs/dbraw/zinc/73/82/03/654738203.db2.gz YBMAYARECNPYCX-HNNXBMFYSA-N 1 2 389.253 2.374 20 0 GEADLO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[C@H]([NH3+])C(F)F)ccc1Cl ZINC000911992426 654739006 /nfs/dbraw/zinc/73/90/06/654739006.db2.gz LWNWRGLUXGKHSJ-NSHDSACASA-N 1 2 383.848 2.292 20 0 GEADLO CCOC(=O)c1sc(C2CC[NH+](C[C@@H]3CCCS3(=O)=O)CC2)nc1C ZINC000931560148 654747050 /nfs/dbraw/zinc/74/70/50/654747050.db2.gz OLXPTOFCKSTNEE-AWEZNQCLSA-N 1 2 386.539 2.385 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000931580925 654747863 /nfs/dbraw/zinc/74/78/63/654747863.db2.gz QGPZASQOTYFUIS-VXGBXAGGSA-N 1 2 380.436 2.465 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)C(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000931657889 654751428 /nfs/dbraw/zinc/75/14/28/654751428.db2.gz HYHSIHCKFUPTNZ-CYBMUJFWSA-N 1 2 378.523 2.246 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)C(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000931657891 654751524 /nfs/dbraw/zinc/75/15/24/654751524.db2.gz HYHSIHCKFUPTNZ-ZDUSSCGKSA-N 1 2 378.523 2.246 20 0 GEADLO COC(=O)c1ccc(Br)c(C[NH2+][C@H]2COCCC2(OC)OC)c1 ZINC000931676537 654753049 /nfs/dbraw/zinc/75/30/49/654753049.db2.gz IPQLHWJMELPMBA-AWEZNQCLSA-N 1 2 388.258 2.103 20 0 GEADLO CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCS(=O)(=O)c1cccc(Br)c1 ZINC000931724761 654754655 /nfs/dbraw/zinc/75/46/55/654754655.db2.gz MCCRMEWUNAQUJS-LSDHHAIUSA-N 1 2 387.343 2.391 20 0 GEADLO CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCS(=O)(=O)c1cccc(Br)c1 ZINC000931724761 654754658 /nfs/dbraw/zinc/75/46/58/654754658.db2.gz MCCRMEWUNAQUJS-LSDHHAIUSA-N 1 2 387.343 2.391 20 0 GEADLO O=C(c1nc(C2CC2)ncc1Br)N1CC(Oc2cc[nH+]cc2)C1 ZINC000931765919 654756394 /nfs/dbraw/zinc/75/63/94/654756394.db2.gz PUDPZRMNRJWWQJ-UHFFFAOYSA-N 1 2 375.226 2.415 20 0 GEADLO Cc1ccc(OCCC(=O)N[C@H](CO)c2c[nH+]cn2C)c(Br)c1 ZINC000912613887 654760935 /nfs/dbraw/zinc/76/09/35/654760935.db2.gz HZRAICQTGCNHIA-CYBMUJFWSA-N 1 2 382.258 2.110 20 0 GEADLO CC(C)(CNC(=O)c1cccnc1-n1cc(Br)cn1)n1cc[nH+]c1 ZINC000912613826 654760942 /nfs/dbraw/zinc/76/09/42/654760942.db2.gz DGFPMGMMOHFQOS-UHFFFAOYSA-N 1 2 389.257 2.391 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccccc1CSC1=NCCS1 ZINC000912616282 654761004 /nfs/dbraw/zinc/76/10/04/654761004.db2.gz ZSAQMKQUMGKXGD-AWEZNQCLSA-N 1 2 376.507 2.220 20 0 GEADLO CC(C)(CNC(=O)c1nscc1I)n1cc[nH+]c1 ZINC000912614361 654761067 /nfs/dbraw/zinc/76/10/67/654761067.db2.gz MPFNGISEXUTXJX-UHFFFAOYSA-N 1 2 376.223 2.109 20 0 GEADLO C[C@H]([C@H](C)NC(=O)c1cc(Br)c2nccnc2c1)[NH+]1CCOCC1 ZINC000932053774 654764747 /nfs/dbraw/zinc/76/47/47/654764747.db2.gz DWPKOLZZDJGOCL-NWDGAFQWSA-N 1 2 393.285 2.231 20 0 GEADLO CC(=O)c1ccc(Br)c(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)c1 ZINC000932221682 654771106 /nfs/dbraw/zinc/77/11/06/654771106.db2.gz VYHRLYUOFXCTHK-UHFFFAOYSA-N 1 2 397.317 2.363 20 0 GEADLO CC(=O)c1ccc(Br)c(NC(=O)N2CCN(C)CC[N@H+](C)CC2)c1 ZINC000932221682 654771108 /nfs/dbraw/zinc/77/11/08/654771108.db2.gz VYHRLYUOFXCTHK-UHFFFAOYSA-N 1 2 397.317 2.363 20 0 GEADLO Cc1ccc(F)c(Br)c1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912897245 654773930 /nfs/dbraw/zinc/77/39/30/654773930.db2.gz NAUCTIOWNPGICS-UHFFFAOYSA-N 1 2 387.249 2.075 20 0 GEADLO Cc1ccc(F)c(Br)c1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912897245 654773932 /nfs/dbraw/zinc/77/39/32/654773932.db2.gz NAUCTIOWNPGICS-UHFFFAOYSA-N 1 2 387.249 2.075 20 0 GEADLO COc1nsc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)c1Br ZINC000912945867 654775517 /nfs/dbraw/zinc/77/55/17/654775517.db2.gz WOLNGAKVCCAYKD-UHFFFAOYSA-N 1 2 385.287 2.306 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2nc(C(C)C)ncc2Br)CC1 ZINC000932487027 654779370 /nfs/dbraw/zinc/77/93/70/654779370.db2.gz UGSDNGFTSCZZRZ-UHFFFAOYSA-N 1 2 385.306 2.157 20 0 GEADLO Cc1cc(Br)ccc1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000932494751 654779622 /nfs/dbraw/zinc/77/96/22/654779622.db2.gz QLRQLKAXVNGHTK-SJORKVTESA-N 1 2 397.313 2.254 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2nccc3c(Br)cccc32)CC1 ZINC000932691779 654785751 /nfs/dbraw/zinc/78/57/51/654785751.db2.gz SGZWSTAJMQBBCN-UHFFFAOYSA-N 1 2 378.270 2.402 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000932793933 654790973 /nfs/dbraw/zinc/79/09/73/654790973.db2.gz WDJMQTJMAIHLOD-RISCZKNCSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000932793933 654790976 /nfs/dbraw/zinc/79/09/76/654790976.db2.gz WDJMQTJMAIHLOD-RISCZKNCSA-N 1 2 376.266 2.359 20 0 GEADLO CO[C@H](C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)c1ccc(Br)s1 ZINC000913441458 654791946 /nfs/dbraw/zinc/79/19/46/654791946.db2.gz MELQMQIHGWMKOZ-GWCFXTLKSA-N 1 2 385.287 2.094 20 0 GEADLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c(Br)c1 ZINC000913442061 654792223 /nfs/dbraw/zinc/79/22/23/654792223.db2.gz BMTHVAJTMMYTCM-SWLSCSKDSA-N 1 2 393.285 2.421 20 0 GEADLO Cc1cc(OCC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)ccc1Br ZINC000913441720 654792312 /nfs/dbraw/zinc/79/23/12/654792312.db2.gz QCOMVZFDOVQRAS-OAHLLOKOSA-N 1 2 379.258 2.033 20 0 GEADLO O=C(CCc1ccc(Br)cc1F)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913445873 654792523 /nfs/dbraw/zinc/79/25/23/654792523.db2.gz URGWBBBXYYSWNP-OAHLLOKOSA-N 1 2 381.249 2.417 20 0 GEADLO Cn1cc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c(-c2ccc(Cl)s2)n1 ZINC000913452189 654792758 /nfs/dbraw/zinc/79/27/58/654792758.db2.gz ZBJLHNFXUJATCA-LBPRGKRZSA-N 1 2 376.873 2.312 20 0 GEADLO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913458500 654793452 /nfs/dbraw/zinc/79/34/52/654793452.db2.gz OZPVMQUECGANHH-HIFRSBDPSA-N 1 2 391.269 2.211 20 0 GEADLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1)c1cccc(Br)c1 ZINC000913460739 654793579 /nfs/dbraw/zinc/79/35/79/654793579.db2.gz QNOSMMOAPZZUFI-WBMJQRKESA-N 1 2 377.286 2.459 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)C(F)(F)c3ccccc3Br)CC[NH2+]2)cn1 ZINC000913461727 654793628 /nfs/dbraw/zinc/79/36/28/654793628.db2.gz YINASYPXRFPMDD-AWEZNQCLSA-N 1 2 399.239 2.448 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)c3c(F)ccc(Br)c3F)CC[NH2+]2)cn1 ZINC000913461071 654793752 /nfs/dbraw/zinc/79/37/52/654793752.db2.gz PIMJXBCCTFZWDJ-GFCCVEGCSA-N 1 2 385.212 2.248 20 0 GEADLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1)c1cccc(Br)c1 ZINC000913460738 654793797 /nfs/dbraw/zinc/79/37/97/654793797.db2.gz QNOSMMOAPZZUFI-MLGOLLRUSA-N 1 2 377.286 2.459 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)Cc3ccc(F)cc3Br)CC[NH2+]2)cn1 ZINC000913462548 654794078 /nfs/dbraw/zinc/79/40/78/654794078.db2.gz JUOMDQWXZPFVGU-OAHLLOKOSA-N 1 2 381.249 2.037 20 0 GEADLO C/C(=C\c1ccc(Br)o1)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913475524 654794763 /nfs/dbraw/zinc/79/47/63/654794763.db2.gz UNMJMZOYXFETGN-OIOXUXFSSA-N 1 2 379.258 2.352 20 0 GEADLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000913507867 654796830 /nfs/dbraw/zinc/79/68/30/654796830.db2.gz UEKUWQUEEZBGSX-CQSZACIVSA-N 1 2 380.286 2.262 20 0 GEADLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000913507867 654796832 /nfs/dbraw/zinc/79/68/32/654796832.db2.gz UEKUWQUEEZBGSX-CQSZACIVSA-N 1 2 380.286 2.262 20 0 GEADLO C[N@@H+]1CCN(C(=O)COc2ccc(C3SCCCS3)cc2)C[C@H]1CO ZINC000913554910 654797658 /nfs/dbraw/zinc/79/76/58/654797658.db2.gz PKZCACLQVWHPAW-HNNXBMFYSA-N 1 2 382.551 2.069 20 0 GEADLO C[N@H+]1CCN(C(=O)COc2ccc(C3SCCCS3)cc2)C[C@H]1CO ZINC000913554910 654797661 /nfs/dbraw/zinc/79/76/61/654797661.db2.gz PKZCACLQVWHPAW-HNNXBMFYSA-N 1 2 382.551 2.069 20 0 GEADLO Cc1nc(CSc2ccccc2C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cs1 ZINC000913553537 654797743 /nfs/dbraw/zinc/79/77/43/654797743.db2.gz JNHZGWHQPKAZFQ-OAHLLOKOSA-N 1 2 377.535 2.492 20 0 GEADLO Cc1nc(CSc2ccccc2C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cs1 ZINC000913553537 654797744 /nfs/dbraw/zinc/79/77/44/654797744.db2.gz JNHZGWHQPKAZFQ-OAHLLOKOSA-N 1 2 377.535 2.492 20 0 GEADLO O=S1(=O)NC[C@@H]2C[N@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CCN21 ZINC000933103470 654801859 /nfs/dbraw/zinc/80/18/59/654801859.db2.gz KZZAVXXVGIEBRO-QZTJIDSGSA-N 1 2 377.897 2.264 20 0 GEADLO O=S1(=O)NC[C@@H]2C[N@@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CCN21 ZINC000933103470 654801860 /nfs/dbraw/zinc/80/18/60/654801860.db2.gz KZZAVXXVGIEBRO-QZTJIDSGSA-N 1 2 377.897 2.264 20 0 GEADLO O=C(C[C@@H](O)C(Cl)(Cl)Cl)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000913714216 654806134 /nfs/dbraw/zinc/80/61/34/654806134.db2.gz OUXYNRLQZDYXQU-LLVKDONJSA-N 1 2 398.743 2.372 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1c(F)ccc(Br)c1F ZINC000933291888 654806629 /nfs/dbraw/zinc/80/66/29/654806629.db2.gz WGKZBQMCGFPYDY-JTQLQIEISA-N 1 2 391.260 2.485 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](OC)c1ccc(Br)s1 ZINC000913808882 654810209 /nfs/dbraw/zinc/81/02/09/654810209.db2.gz IZTCLBKLYKMSMN-FZMZJTMJSA-N 1 2 391.331 2.425 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](OC)c1ccc(Br)s1 ZINC000913808882 654810213 /nfs/dbraw/zinc/81/02/13/654810213.db2.gz IZTCLBKLYKMSMN-FZMZJTMJSA-N 1 2 391.331 2.425 20 0 GEADLO CC(C)(CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)CS(C)(=O)=O ZINC000913891547 654814045 /nfs/dbraw/zinc/81/40/45/654814045.db2.gz SDAYILGYHKQLMI-AWEZNQCLSA-N 1 2 387.571 2.255 20 0 GEADLO Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)n1 ZINC000933567529 654817076 /nfs/dbraw/zinc/81/70/76/654817076.db2.gz PXJYGDMHUTZMJW-CYBMUJFWSA-N 1 2 384.527 2.145 20 0 GEADLO Cc1noc(C[C@H]2CCC[N@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)n1 ZINC000933567529 654817078 /nfs/dbraw/zinc/81/70/78/654817078.db2.gz PXJYGDMHUTZMJW-CYBMUJFWSA-N 1 2 384.527 2.145 20 0 GEADLO Cn1nc(C(F)(F)F)c(C[NH+]2CCC(CN3CCNC3=O)CC2)c1Cl ZINC000933586805 654817377 /nfs/dbraw/zinc/81/73/77/654817377.db2.gz UQNCFRNLBQXRPG-UHFFFAOYSA-N 1 2 379.814 2.330 20 0 GEADLO Cc1[nH+]ccn1CCCNS(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000913944240 654817732 /nfs/dbraw/zinc/81/77/32/654817732.db2.gz IUERCHCGYWJYDL-UHFFFAOYSA-N 1 2 379.360 2.164 20 0 GEADLO CC(F)(F)CCCS(=O)(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000913966485 654819078 /nfs/dbraw/zinc/81/90/78/654819078.db2.gz HDPOUAHGGSUHMM-UHFFFAOYSA-N 1 2 396.422 2.338 20 0 GEADLO C[C@H](CNS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000914056358 654823948 /nfs/dbraw/zinc/82/39/48/654823948.db2.gz FIIAWFIBZBUCDJ-YDGUKXNOSA-N 1 2 399.460 2.350 20 0 GEADLO C[C@H](CNS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N@@H+](C)C1CC1 ZINC000914056358 654823949 /nfs/dbraw/zinc/82/39/49/654823949.db2.gz FIIAWFIBZBUCDJ-YDGUKXNOSA-N 1 2 399.460 2.350 20 0 GEADLO C[C@@H](CNC(=O)N1CCC[C@H]1c1cncc(Br)c1)[NH+]1CCOCC1 ZINC000914067184 654824368 /nfs/dbraw/zinc/82/43/68/654824368.db2.gz MOFRFSWOZCEBCL-BBRMVZONSA-N 1 2 397.317 2.411 20 0 GEADLO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000914081246 654825417 /nfs/dbraw/zinc/82/54/17/654825417.db2.gz SHAANDMMXUCMFZ-FNODVLLQSA-N 1 2 399.460 2.210 20 0 GEADLO C[N@H+]1CCC[C@@H](CNS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000914081246 654825419 /nfs/dbraw/zinc/82/54/19/654825419.db2.gz SHAANDMMXUCMFZ-FNODVLLQSA-N 1 2 399.460 2.210 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000933926930 654831019 /nfs/dbraw/zinc/83/10/19/654831019.db2.gz YEVOPQABTFAXRG-UHFFFAOYSA-N 1 2 383.905 2.442 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000914197907 654834554 /nfs/dbraw/zinc/83/45/54/654834554.db2.gz OGAAKZXSCQBYLI-LLVKDONJSA-N 1 2 379.262 2.203 20 0 GEADLO O=S(=O)(Cc1cccc(F)c1Br)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000914304597 654843423 /nfs/dbraw/zinc/84/34/23/654843423.db2.gz CNGSXFXJTQXPSW-LLVKDONJSA-N 1 2 388.262 2.219 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)Nc2c(Br)cnn2C2CC2)CCO1 ZINC000934375761 654848153 /nfs/dbraw/zinc/84/81/53/654848153.db2.gz CQKCJLGZMWWPGC-UHFFFAOYSA-N 1 2 386.294 2.213 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)Nc2c(Br)cnn2C2CC2)CCO1 ZINC000934375761 654848154 /nfs/dbraw/zinc/84/81/54/654848154.db2.gz CQKCJLGZMWWPGC-UHFFFAOYSA-N 1 2 386.294 2.213 20 0 GEADLO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000934746466 654857399 /nfs/dbraw/zinc/85/73/99/654857399.db2.gz DETLXUBYGLRGHG-RUZDIDTESA-N 1 2 381.468 2.225 20 0 GEADLO CCn1nnc(C)c1C[NH2+][C@@H](CO)c1ccccc1I ZINC000934826222 654861667 /nfs/dbraw/zinc/86/16/67/654861667.db2.gz KQMFAUAVDLNXQX-ZDUSSCGKSA-N 1 2 386.237 2.034 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)c1cc(Br)cnc1Br ZINC000935329701 654887841 /nfs/dbraw/zinc/88/78/41/654887841.db2.gz VJAYWDZJGLYNGE-UHFFFAOYSA-N 1 2 388.063 2.313 20 0 GEADLO C[C@@](O)(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(Br)c1 ZINC000935485772 654896505 /nfs/dbraw/zinc/89/65/05/654896505.db2.gz DPQWCFMHSJUIAK-BZNIZROVSA-N 1 2 382.233 2.123 20 0 GEADLO Cc1cc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)oc1Br ZINC000935715082 654912065 /nfs/dbraw/zinc/91/20/65/654912065.db2.gz MDKJJMLGAQRWCF-UHFFFAOYSA-N 1 2 392.253 2.446 20 0 GEADLO Cc1cc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)oc1Br ZINC000935715082 654912066 /nfs/dbraw/zinc/91/20/66/654912066.db2.gz MDKJJMLGAQRWCF-UHFFFAOYSA-N 1 2 392.253 2.446 20 0 GEADLO O=C(Nc1nc2ccc(Cl)nc2s1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935730651 654913509 /nfs/dbraw/zinc/91/35/09/654913509.db2.gz WTFGCJDJKUKLGY-PWSUYJOCSA-N 1 2 382.873 2.163 20 0 GEADLO FC(F)(COc1ccc(Cl)nn1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164678288 719566545 /nfs/dbraw/zinc/56/65/45/719566545.db2.gz WPSJJYSCDXZEEH-UHFFFAOYSA-N 1 2 396.785 2.393 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc2cccc(C)c2n1 ZINC001164698743 719851463 /nfs/dbraw/zinc/85/14/63/719851463.db2.gz DJWQEIOLRSCUSI-KKSFZXQISA-N 1 2 384.480 2.171 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(OC(C)C)n1 ZINC001164700442 719858103 /nfs/dbraw/zinc/85/81/03/719858103.db2.gz HEYVJQMFUQFITF-JXFKEZNVSA-N 1 2 377.485 2.102 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(OC(C)(C)C)n1 ZINC001164700496 719858385 /nfs/dbraw/zinc/85/83/85/719858385.db2.gz HPNQFQLGSCKQQM-HRAATJIYSA-N 1 2 391.512 2.492 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2[nH]ccc2cc1Cl ZINC001164701104 719859576 /nfs/dbraw/zinc/85/95/76/719859576.db2.gz JILRRCCXOQTWMO-IFXJQAMLSA-N 1 2 392.887 2.401 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(C(C)C)n1 ZINC001164704414 719867943 /nfs/dbraw/zinc/86/79/43/719867943.db2.gz LVQWOODTAOUXKU-UZLBHIALSA-N 1 2 376.501 2.141 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(C)(C)C)nn1 ZINC001164708176 719869448 /nfs/dbraw/zinc/86/94/48/719869448.db2.gz XXWQLGSILDQYOG-QRWLVFNGSA-N 1 2 376.501 2.007 20 0 GEADLO Nc1cc(Cl)nc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)c1 ZINC001164829634 720397716 /nfs/dbraw/zinc/39/77/16/720397716.db2.gz NWVANLNJAGJTAT-UHFFFAOYSA-N 1 2 394.817 2.109 20 0 GEADLO Nc1cc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cnc1Cl ZINC001164826698 720399317 /nfs/dbraw/zinc/39/93/17/720399317.db2.gz CSJPGFHATGTMML-UHFFFAOYSA-N 1 2 394.817 2.109 20 0 GEADLO FC(F)(Oc1ccnc(Cl)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164829825 720399909 /nfs/dbraw/zinc/39/99/09/720399909.db2.gz OJJIOMLBVLGLSG-UHFFFAOYSA-N 1 2 395.801 2.406 20 0 GEADLO COCc1cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc(SC)n1 ZINC001165010897 721702061 /nfs/dbraw/zinc/70/20/61/721702061.db2.gz OKUGAYCSCBOVKU-UHFFFAOYSA-N 1 2 391.545 2.187 20 0 GEADLO COCc1cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc(SC)n1 ZINC001165010897 721702064 /nfs/dbraw/zinc/70/20/64/721702064.db2.gz OKUGAYCSCBOVKU-UHFFFAOYSA-N 1 2 391.545 2.187 20 0 GEADLO CCCNC(=O)c1cccnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009048 721713687 /nfs/dbraw/zinc/71/36/87/721713687.db2.gz NTTZLGKSFDTDSZ-UHFFFAOYSA-N 1 2 385.516 2.063 20 0 GEADLO CCCNC(=O)c1cccnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009048 721713690 /nfs/dbraw/zinc/71/36/90/721713690.db2.gz NTTZLGKSFDTDSZ-UHFFFAOYSA-N 1 2 385.516 2.063 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN([C@H](F)Oc1cncc(Cl)n1)C2 ZINC001165010062 721719601 /nfs/dbraw/zinc/71/96/01/721719601.db2.gz FXXNEUFBVMGLPT-INIZCTEOSA-N 1 2 383.859 2.100 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN([C@H](F)Oc1cncc(Cl)n1)C2 ZINC001165010062 721719604 /nfs/dbraw/zinc/71/96/04/721719604.db2.gz FXXNEUFBVMGLPT-INIZCTEOSA-N 1 2 383.859 2.100 20 0 GEADLO c1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164909630 721767731 /nfs/dbraw/zinc/76/77/31/721767731.db2.gz DQDVVRGVTGTICD-JOCHJYFZSA-N 1 2 391.475 2.133 20 0 GEADLO c1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164909630 721767733 /nfs/dbraw/zinc/76/77/33/721767733.db2.gz DQDVVRGVTGTICD-JOCHJYFZSA-N 1 2 391.475 2.133 20 0 GEADLO COC(=O)c1ccc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)nc1Cl ZINC001165038802 721905102 /nfs/dbraw/zinc/90/51/02/721905102.db2.gz OWULYMXPXQXAAS-GFCCVEGCSA-N 1 2 389.830 2.368 20 0 GEADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165039377 721907366 /nfs/dbraw/zinc/90/73/66/721907366.db2.gz SKFWOSCGHRSONL-GFCCVEGCSA-N 1 2 389.830 2.368 20 0 GEADLO Cc1cc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)nc(C2CC2)[nH+]1 ZINC001164934971 721908902 /nfs/dbraw/zinc/90/89/02/721908902.db2.gz ALJWZDUTLWMCMX-UHFFFAOYSA-N 1 2 382.512 2.267 20 0 GEADLO Cc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ncc1Cl ZINC001164946921 721971395 /nfs/dbraw/zinc/97/13/95/721971395.db2.gz ZGRWTLFXXANTTL-UHFFFAOYSA-N 1 2 385.899 2.409 20 0 GEADLO Cc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ncc1Cl ZINC001164946921 721971397 /nfs/dbraw/zinc/97/13/97/721971397.db2.gz ZGRWTLFXXANTTL-UHFFFAOYSA-N 1 2 385.899 2.409 20 0 GEADLO COCOc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164945046 721974284 /nfs/dbraw/zinc/97/42/84/721974284.db2.gz BCZXFFUOYYDYBC-UHFFFAOYSA-N 1 2 396.491 2.035 20 0 GEADLO COCOc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164945046 721974286 /nfs/dbraw/zinc/97/42/86/721974286.db2.gz BCZXFFUOYYDYBC-UHFFFAOYSA-N 1 2 396.491 2.035 20 0 GEADLO COC[C@@]12COC[C@@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164951977 721992105 /nfs/dbraw/zinc/99/21/05/721992105.db2.gz NWKGINHQEWLMCF-AVRDEDQJSA-N 1 2 380.492 2.134 20 0 GEADLO COC[C@@]12COC[C@@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164951977 721992107 /nfs/dbraw/zinc/99/21/07/721992107.db2.gz NWKGINHQEWLMCF-AVRDEDQJSA-N 1 2 380.492 2.134 20 0 GEADLO NC(=O)c1ccc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)nc1Cl ZINC001165053391 722008822 /nfs/dbraw/zinc/00/88/22/722008822.db2.gz FGMFUAXYBGDZKK-UHFFFAOYSA-N 1 2 395.841 2.139 20 0 GEADLO O=S(=O)(NCCNc1cc(NCC2CC2)[nH+]cn1)c1ccc(Cl)s1 ZINC000536092196 531448742 /nfs/dbraw/zinc/44/87/42/531448742.db2.gz AOPMLRKONRAMLO-UHFFFAOYSA-N 1 2 387.918 2.404 20 0 GEADLO O=S(=O)(NCCNc1cc(NCC2CC2)nc[nH+]1)c1ccc(Cl)s1 ZINC000536092196 531448743 /nfs/dbraw/zinc/44/87/43/531448743.db2.gz AOPMLRKONRAMLO-UHFFFAOYSA-N 1 2 387.918 2.404 20 0 GEADLO Cc1nc(N(C)C)nc(NCCC(=O)Nc2ccc(Br)cc2)[nH+]1 ZINC000488394443 531486625 /nfs/dbraw/zinc/48/66/25/531486625.db2.gz GHFYKOBRYLOQMK-UHFFFAOYSA-N 1 2 379.262 2.449 20 0 GEADLO Cc1nc(NCCC(=O)Nc2ccc(Br)cc2)nc(N(C)C)[nH+]1 ZINC000488394443 531486635 /nfs/dbraw/zinc/48/66/35/531486635.db2.gz GHFYKOBRYLOQMK-UHFFFAOYSA-N 1 2 379.262 2.449 20 0 GEADLO CC1CC[NH+](CCNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000002467420 531502872 /nfs/dbraw/zinc/50/28/72/531502872.db2.gz UDCSMCFROFIMNW-UHFFFAOYSA-N 1 2 384.929 2.494 20 0 GEADLO C[C@@H](CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C[NH+]1CCOCC1 ZINC000151478608 531504155 /nfs/dbraw/zinc/50/41/55/531504155.db2.gz ZKFYQHUETDNHKL-LBPRGKRZSA-N 1 2 381.325 2.381 20 0 GEADLO C[C@H]1C[NH+](CCCCNS(=O)(=O)c2c(F)cc(F)cc2F)C[C@H](C)O1 ZINC000151790255 531521031 /nfs/dbraw/zinc/52/10/31/531521031.db2.gz NQCBXKGVBWAULR-RYUDHWBXSA-N 1 2 380.432 2.272 20 0 GEADLO C[C@@H]1C[NH+](CCCCNS(=O)(=O)c2ccc(F)c(F)c2F)C[C@@H](C)O1 ZINC000151803123 531521713 /nfs/dbraw/zinc/52/17/13/531521713.db2.gz QXZLUELLRHYGLJ-VXGBXAGGSA-N 1 2 380.432 2.272 20 0 GEADLO C[C@@H](CNC(=O)Cc1ccccc1I)Cn1cc[nH+]c1 ZINC000152035120 531527646 /nfs/dbraw/zinc/52/76/46/531527646.db2.gz OLJNWQFFPTZARQ-LBPRGKRZSA-N 1 2 383.233 2.483 20 0 GEADLO O=C(c1ccc(Br)cc1)N1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000152228909 531538646 /nfs/dbraw/zinc/53/86/46/531538646.db2.gz KPJZQBAFXMBANE-QGZVFWFLSA-N 1 2 397.313 2.403 20 0 GEADLO C[C@H](CC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000152381607 531546841 /nfs/dbraw/zinc/54/68/41/531546841.db2.gz HPKVKCKDZDPPSA-OAHLLOKOSA-N 1 2 399.329 2.096 20 0 GEADLO CN(C)c1ncc(Br)cc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152418393 531549549 /nfs/dbraw/zinc/54/95/49/531549549.db2.gz UKOMXOIBIVDXIN-CYBMUJFWSA-N 1 2 390.285 2.314 20 0 GEADLO C[C@H](Cc1ccccc1Br)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000152630570 531563222 /nfs/dbraw/zinc/56/32/22/531563222.db2.gz QBHINQZUGWENIV-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO CCC[N@H+](CC(=O)NC(=O)NC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000019533248 531577947 /nfs/dbraw/zinc/57/79/47/531577947.db2.gz KZESCYCQCAALIC-UHFFFAOYSA-N 1 2 375.256 2.100 20 0 GEADLO CCC[N@@H+](CC(=O)NC(=O)NC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000019533248 531577957 /nfs/dbraw/zinc/57/79/57/531577957.db2.gz KZESCYCQCAALIC-UHFFFAOYSA-N 1 2 375.256 2.100 20 0 GEADLO C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C[C@H](C)[NH2+]1 ZINC000153160866 531591514 /nfs/dbraw/zinc/59/15/14/531591514.db2.gz XDCURVRZYGWNRC-BETUJISGSA-N 1 2 379.507 2.371 20 0 GEADLO CC[C@@H]1C[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CCN1CC(F)F ZINC000153518559 531603134 /nfs/dbraw/zinc/60/31/34/531603134.db2.gz GVLSWBKZVHJSKQ-OAHLLOKOSA-N 1 2 375.485 2.098 20 0 GEADLO CC[C@@H]1C[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CCN1CC(F)F ZINC000153518559 531603138 /nfs/dbraw/zinc/60/31/38/531603138.db2.gz GVLSWBKZVHJSKQ-OAHLLOKOSA-N 1 2 375.485 2.098 20 0 GEADLO C[C@H](CNC(=O)COc1ccc(I)cc1)Cn1cc[nH+]c1 ZINC000153715956 531606791 /nfs/dbraw/zinc/60/67/91/531606791.db2.gz WRDLSOVGXNVUHN-GFCCVEGCSA-N 1 2 399.232 2.319 20 0 GEADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000026813084 531618778 /nfs/dbraw/zinc/61/87/78/531618778.db2.gz PQQRTOSYWWZSBO-ZDUSSCGKSA-N 1 2 379.917 2.361 20 0 GEADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026813084 531618787 /nfs/dbraw/zinc/61/87/87/531618787.db2.gz PQQRTOSYWWZSBO-ZDUSSCGKSA-N 1 2 379.917 2.361 20 0 GEADLO Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000026815023 531619930 /nfs/dbraw/zinc/61/99/30/531619930.db2.gz FEMOHJVLVOQYLG-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc1OC ZINC000154058333 531619207 /nfs/dbraw/zinc/61/92/07/531619207.db2.gz SIULQBBNSIXISA-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc1OC ZINC000154058333 531619216 /nfs/dbraw/zinc/61/92/16/531619216.db2.gz SIULQBBNSIXISA-CYBMUJFWSA-N 1 2 376.906 2.261 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000026957998 531621053 /nfs/dbraw/zinc/62/10/53/531621053.db2.gz SYTNPQUDIZBWRA-AWEZNQCLSA-N 1 2 391.331 2.084 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000026957998 531621061 /nfs/dbraw/zinc/62/10/61/531621061.db2.gz SYTNPQUDIZBWRA-AWEZNQCLSA-N 1 2 391.331 2.084 20 0 GEADLO O=c1n2ccccc2nn1CCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000026904720 531622101 /nfs/dbraw/zinc/62/21/01/531622101.db2.gz BCIFPCKYALGPJD-UHFFFAOYSA-N 1 2 377.901 2.029 20 0 GEADLO O=c1n2ccccc2nn1CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000026904720 531622111 /nfs/dbraw/zinc/62/21/11/531622111.db2.gz BCIFPCKYALGPJD-UHFFFAOYSA-N 1 2 377.901 2.029 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000026958085 531622264 /nfs/dbraw/zinc/62/22/64/531622264.db2.gz GWHTZVOYTLQTFD-CQSZACIVSA-N 1 2 380.432 2.341 20 0 GEADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000026958085 531622271 /nfs/dbraw/zinc/62/22/71/531622271.db2.gz GWHTZVOYTLQTFD-CQSZACIVSA-N 1 2 380.432 2.341 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000154827080 531634639 /nfs/dbraw/zinc/63/46/39/531634639.db2.gz LRMYOCJYDDTMNE-UHFFFAOYSA-N 1 2 388.555 2.023 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000154926199 531643378 /nfs/dbraw/zinc/64/33/78/531643378.db2.gz ICEPSMFQTNKDOW-CQSZACIVSA-N 1 2 394.313 2.218 20 0 GEADLO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031942144 531647926 /nfs/dbraw/zinc/64/79/26/531647926.db2.gz BVYDAHQCGHMWQN-KSSFIOAISA-N 1 2 384.929 2.431 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000154976344 531646686 /nfs/dbraw/zinc/64/66/86/531646686.db2.gz XUWJVBMEZVJOLF-HIFRSBDPSA-N 1 2 384.274 2.395 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000154976344 531646690 /nfs/dbraw/zinc/64/66/90/531646690.db2.gz XUWJVBMEZVJOLF-HIFRSBDPSA-N 1 2 384.274 2.395 20 0 GEADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CCc2ccc(Cl)s2)CC1 ZINC000154864639 531638353 /nfs/dbraw/zinc/63/83/53/531638353.db2.gz FDCCIHVBEKTWSZ-AWEZNQCLSA-N 1 2 383.945 2.489 20 0 GEADLO O=C(Cc1ccc(Br)cc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031940861 531647874 /nfs/dbraw/zinc/64/78/74/531647874.db2.gz ITVVKXUFBWRAGY-KRWDZBQOSA-N 1 2 399.354 2.316 20 0 GEADLO CS[C@H]1CCC[C@H](NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C1 ZINC000155175208 531662098 /nfs/dbraw/zinc/66/20/98/531662098.db2.gz GDTKLOWTPLRQMV-GJZGRUSLSA-N 1 2 384.567 2.426 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCc2cc(Br)sc2C1 ZINC000155548428 531689114 /nfs/dbraw/zinc/68/91/14/531689114.db2.gz CDASKORVIPWUNN-UHFFFAOYSA-N 1 2 396.266 2.438 20 0 GEADLO Cc1ccc(O[C@H](C)C(=O)N[C@H](C)C[NH+]2CCOCC2)c(Br)c1 ZINC000044535586 531682555 /nfs/dbraw/zinc/68/25/55/531682555.db2.gz KLIQTXRDNXZPKM-ZIAGYGMSSA-N 1 2 385.302 2.362 20 0 GEADLO Cc1cccn2cc(CS(=O)(=O)[C@@H](C)C(=O)NCc3cccs3)[nH+]c12 ZINC000046182677 531699914 /nfs/dbraw/zinc/69/99/14/531699914.db2.gz ILUYZLYVZFSGTJ-ZDUSSCGKSA-N 1 2 377.491 2.324 20 0 GEADLO C[C@H]1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156258744 531724985 /nfs/dbraw/zinc/72/49/85/531724985.db2.gz KFGLAXRIWKRTSH-FZMZJTMJSA-N 1 2 394.273 2.459 20 0 GEADLO O=S1(=O)CC[C@@H](N(Cc2c[nH+]c3ccc(Br)cn23)C2CC2)C1 ZINC000156999001 531730305 /nfs/dbraw/zinc/73/03/05/531730305.db2.gz HRMYRQHFXRJGLA-CYBMUJFWSA-N 1 2 384.299 2.248 20 0 GEADLO Cc1ccc(-n2cnnc2SCC(=O)NCCn2cc[nH+]c2)cc1Cl ZINC000047442283 531713091 /nfs/dbraw/zinc/71/30/91/531713091.db2.gz QMTYCTYAWBTVSV-UHFFFAOYSA-N 1 2 376.873 2.334 20 0 GEADLO CC(C)(CNC(=O)NCc1csc(Br)c1)[NH+]1CCOCC1 ZINC000047855727 531721494 /nfs/dbraw/zinc/72/14/94/531721494.db2.gz TYEWWFQBGJDJKK-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO Cc1ncsc1C(=O)NC1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000051100232 531739616 /nfs/dbraw/zinc/73/96/16/531739616.db2.gz MILZHIAMIZOUKO-UHFFFAOYSA-N 1 2 378.523 2.024 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000053282465 531760397 /nfs/dbraw/zinc/76/03/97/531760397.db2.gz QXRHLGVWSPQBBR-UHFFFAOYSA-N 1 2 395.301 2.186 20 0 GEADLO Cc1cc(Br)oc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000052845387 531750371 /nfs/dbraw/zinc/75/03/71/531750371.db2.gz SMEKMTKWLHGUHY-HNNXBMFYSA-N 1 2 389.315 2.288 20 0 GEADLO C[C@H](CCc1ccc(Br)cc1)NC(=O)NCC[NH+]1CCOCC1 ZINC000054539835 531779890 /nfs/dbraw/zinc/77/98/90/531779890.db2.gz UHWVIQJUSCOCJF-CQSZACIVSA-N 1 2 384.318 2.402 20 0 GEADLO COc1cc(C(F)(F)F)nc(NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000623885225 531825869 /nfs/dbraw/zinc/82/58/69/531825869.db2.gz UFBXAVPVOWZGEN-CQSZACIVSA-N 1 2 378.420 2.124 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(OC)c(Br)c2)CC1 ZINC000057978969 531826393 /nfs/dbraw/zinc/82/63/93/531826393.db2.gz BNSYDOKTDFMFMM-UHFFFAOYSA-N 1 2 398.345 2.444 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1cc(Br)ccc1F ZINC000057612815 531821338 /nfs/dbraw/zinc/82/13/38/531821338.db2.gz DSVDZOJROBGNDB-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO COCC[N@H+](Cc1ccc(OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161640465 531833282 /nfs/dbraw/zinc/83/32/82/531833282.db2.gz WEABCDFUCKPOHQ-CYBMUJFWSA-N 1 2 392.315 2.093 20 0 GEADLO COCC[N@@H+](Cc1ccc(OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161640465 531833290 /nfs/dbraw/zinc/83/32/90/531833290.db2.gz WEABCDFUCKPOHQ-CYBMUJFWSA-N 1 2 392.315 2.093 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CSCc1cc(-c2cccs2)on1 ZINC000061401059 531852343 /nfs/dbraw/zinc/85/23/43/531852343.db2.gz YHMJTKKZJKHEGH-CYBMUJFWSA-N 1 2 381.523 2.473 20 0 GEADLO O[C@H](CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)C[NH+]1CCOCC1 ZINC000061730864 531854494 /nfs/dbraw/zinc/85/44/94/531854494.db2.gz SOUGQRWTBIPFER-JTQLQIEISA-N 1 2 396.822 2.187 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1nc(-c2ccc(Br)cc2)no1 ZINC000162311688 531842654 /nfs/dbraw/zinc/84/26/54/531842654.db2.gz RWLAEOIWGZUHPU-MFKMUULPSA-N 1 2 395.257 2.007 20 0 GEADLO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1nc(-c2ccc(Br)cc2)no1 ZINC000162311688 531842658 /nfs/dbraw/zinc/84/26/58/531842658.db2.gz RWLAEOIWGZUHPU-MFKMUULPSA-N 1 2 395.257 2.007 20 0 GEADLO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1Cl ZINC000162661800 531845270 /nfs/dbraw/zinc/84/52/70/531845270.db2.gz JDEMNZAVMMMKQL-UHFFFAOYSA-N 1 2 381.325 2.379 20 0 GEADLO O=C(CCn1cc[nH+]c1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000060794734 531846849 /nfs/dbraw/zinc/84/68/49/531846849.db2.gz HDRKUSXJVOGBTG-UHFFFAOYSA-N 1 2 383.315 2.442 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C3SCCCS3)cc2)CC1 ZINC000063759920 531860744 /nfs/dbraw/zinc/86/07/44/531860744.db2.gz VCGIEKMHYXGFOQ-UHFFFAOYSA-N 1 2 379.551 2.189 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C3SCCCS3)cc2)CC1 ZINC000063759920 531860760 /nfs/dbraw/zinc/86/07/60/531860760.db2.gz VCGIEKMHYXGFOQ-UHFFFAOYSA-N 1 2 379.551 2.189 20 0 GEADLO NC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000063759030 531861831 /nfs/dbraw/zinc/86/18/31/531861831.db2.gz PAEZURKWVAUXRZ-UHFFFAOYSA-N 1 2 398.941 2.087 20 0 GEADLO NC(=O)C[N@H+]1CCCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000063759030 531861836 /nfs/dbraw/zinc/86/18/36/531861836.db2.gz PAEZURKWVAUXRZ-UHFFFAOYSA-N 1 2 398.941 2.087 20 0 GEADLO Cc1cc(Cl)c(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1Cl ZINC000163952196 531864643 /nfs/dbraw/zinc/86/46/43/531864643.db2.gz PFJGPCWJPJKJOQ-NEPJUHHUSA-N 1 2 388.295 2.466 20 0 GEADLO Cc1cccc(S(=O)(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000064931657 531872494 /nfs/dbraw/zinc/87/24/94/531872494.db2.gz VAAZXOZKRBVSPM-UHFFFAOYSA-N 1 2 380.432 2.270 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCc2ccc(F)cc2Br)CCO1 ZINC000171169357 531897192 /nfs/dbraw/zinc/89/71/92/531897192.db2.gz DJLVUOQNAXXCHS-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCc2ccc(F)cc2Br)CCO1 ZINC000171169357 531897199 /nfs/dbraw/zinc/89/71/99/531897199.db2.gz DJLVUOQNAXXCHS-UHFFFAOYSA-N 1 2 388.281 2.498 20 0 GEADLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1ccco1 ZINC000171241641 531897871 /nfs/dbraw/zinc/89/78/71/531897871.db2.gz RMGWOJZNSQPNIL-LBPRGKRZSA-N 1 2 386.857 2.285 20 0 GEADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCN1C(=O)CNC1=O ZINC000069010126 531908969 /nfs/dbraw/zinc/90/89/69/531908969.db2.gz UMIZRFGQKXTMKF-AWEZNQCLSA-N 1 2 388.251 2.081 20 0 GEADLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCN1C(=O)CNC1=O ZINC000069010126 531908976 /nfs/dbraw/zinc/90/89/76/531908976.db2.gz UMIZRFGQKXTMKF-AWEZNQCLSA-N 1 2 388.251 2.081 20 0 GEADLO CC(C)[N@@H+]1CCC[C@@H](CNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000069064198 531909732 /nfs/dbraw/zinc/90/97/32/531909732.db2.gz SYOBTIWHPCFHNR-AWEZNQCLSA-N 1 2 388.555 2.026 20 0 GEADLO CC(C)[N@H+]1CCC[C@@H](CNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000069064198 531909737 /nfs/dbraw/zinc/90/97/37/531909737.db2.gz SYOBTIWHPCFHNR-AWEZNQCLSA-N 1 2 388.555 2.026 20 0 GEADLO CCn1c(C[N@@H+]2CCS[C@H](C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000171699645 531912160 /nfs/dbraw/zinc/91/21/60/531912160.db2.gz JAUQLMBLRBESMN-CYBMUJFWSA-N 1 2 382.555 2.244 20 0 GEADLO CCn1c(C[N@H+]2CCS[C@H](C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000171699645 531912167 /nfs/dbraw/zinc/91/21/67/531912167.db2.gz JAUQLMBLRBESMN-CYBMUJFWSA-N 1 2 382.555 2.244 20 0 GEADLO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000171771374 531916695 /nfs/dbraw/zinc/91/66/95/531916695.db2.gz LLEPWTCENOLMSK-ZDUSSCGKSA-N 1 2 395.301 2.412 20 0 GEADLO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000171771374 531916699 /nfs/dbraw/zinc/91/66/99/531916699.db2.gz LLEPWTCENOLMSK-ZDUSSCGKSA-N 1 2 395.301 2.412 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(-c3sc(C)nc3C)o2)CC1 ZINC000105707769 531941088 /nfs/dbraw/zinc/94/10/88/531941088.db2.gz NOUHNQNEMIEESX-LLVKDONJSA-N 1 2 381.527 2.455 20 0 GEADLO CCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H](C)CS(=O)(=O)CC ZINC000172234334 531941547 /nfs/dbraw/zinc/94/15/47/531941547.db2.gz RTYHQZINEVWRLM-KGLIPLIRSA-N 1 2 375.560 2.206 20 0 GEADLO OCCO[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000172291869 531944430 /nfs/dbraw/zinc/94/44/30/531944430.db2.gz FQHAFZNAKMCERX-OAHLLOKOSA-N 1 2 396.285 2.396 20 0 GEADLO OCCO[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000172291869 531944436 /nfs/dbraw/zinc/94/44/36/531944436.db2.gz FQHAFZNAKMCERX-OAHLLOKOSA-N 1 2 396.285 2.396 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114855699 531957483 /nfs/dbraw/zinc/95/74/83/531957483.db2.gz GALPROBXMLNESY-MLGOLLRUSA-N 1 2 383.286 2.196 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114855699 531957493 /nfs/dbraw/zinc/95/74/93/531957493.db2.gz GALPROBXMLNESY-MLGOLLRUSA-N 1 2 383.286 2.196 20 0 GEADLO COc1cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc(OC)c1Br ZINC000114855055 531957704 /nfs/dbraw/zinc/95/77/04/531957704.db2.gz FVAPSMWKBOEWKE-CYBMUJFWSA-N 1 2 399.285 2.059 20 0 GEADLO COc1cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc(OC)c1Br ZINC000114855055 531957711 /nfs/dbraw/zinc/95/77/11/531957711.db2.gz FVAPSMWKBOEWKE-CYBMUJFWSA-N 1 2 399.285 2.059 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)C1(c2ccc(Br)cc2)CC1 ZINC000114857163 531958070 /nfs/dbraw/zinc/95/80/70/531958070.db2.gz BKGAKRXKQHCYTM-INIZCTEOSA-N 1 2 379.298 2.460 20 0 GEADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)C1(c2ccc(Br)cc2)CC1 ZINC000114857163 531958079 /nfs/dbraw/zinc/95/80/79/531958079.db2.gz BKGAKRXKQHCYTM-INIZCTEOSA-N 1 2 379.298 2.460 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000113931697 531952607 /nfs/dbraw/zinc/95/26/07/531952607.db2.gz YVQAMSRWGCPVFT-SNVBAGLBSA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000113931697 531952612 /nfs/dbraw/zinc/95/26/12/531952612.db2.gz YVQAMSRWGCPVFT-SNVBAGLBSA-N 1 2 396.738 2.108 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172754675 531966906 /nfs/dbraw/zinc/96/69/06/531966906.db2.gz TZGSMVNUSSAOIZ-DZGCQCFKSA-N 1 2 383.286 2.150 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172754680 531967089 /nfs/dbraw/zinc/96/70/89/531967089.db2.gz TZGSMVNUSSAOIZ-UKRRQHHQSA-N 1 2 383.286 2.150 20 0 GEADLO O=C(NCc1[nH]cc[nH+]1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000120241576 531978292 /nfs/dbraw/zinc/97/82/92/531978292.db2.gz HFRMSHNRSLELLK-UHFFFAOYSA-N 1 2 380.246 2.331 20 0 GEADLO O=C(CCc1nc2cc(Br)ccc2s1)NCC[NH+]1CCOCC1 ZINC000173044114 531983329 /nfs/dbraw/zinc/98/33/29/531983329.db2.gz BZVWPZHIRZZKTM-UHFFFAOYSA-N 1 2 398.326 2.440 20 0 GEADLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1c[nH]c(=O)c(Br)c1 ZINC000173161960 531990913 /nfs/dbraw/zinc/99/09/13/531990913.db2.gz CAVXGICUHMRBQG-UHFFFAOYSA-N 1 2 392.253 2.222 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000121092231 532012942 /nfs/dbraw/zinc/01/29/42/532012942.db2.gz AJMGJYLFEPZSHI-UHFFFAOYSA-N 1 2 396.329 2.454 20 0 GEADLO COc1ccc(Br)cc1CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000173506965 532014359 /nfs/dbraw/zinc/01/43/59/532014359.db2.gz RJGBVZMOXSDETE-UHFFFAOYSA-N 1 2 385.302 2.227 20 0 GEADLO COc1ccc(Br)cc1CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000173506965 532014368 /nfs/dbraw/zinc/01/43/68/532014368.db2.gz RJGBVZMOXSDETE-UHFFFAOYSA-N 1 2 385.302 2.227 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173539538 532017739 /nfs/dbraw/zinc/01/77/39/532017739.db2.gz XUELIHVHYCJICX-LBPRGKRZSA-N 1 2 379.309 2.336 20 0 GEADLO Cc1cc(NC(=O)CN2CCC[C@H]2C[NH+]2CCOCC2)ccc1Br ZINC000173686036 532026436 /nfs/dbraw/zinc/02/64/36/532026436.db2.gz GBGNMQWNVNPNOA-INIZCTEOSA-N 1 2 396.329 2.493 20 0 GEADLO O=S(=O)(c1cc(F)ccc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173894370 532040910 /nfs/dbraw/zinc/04/09/10/532040910.db2.gz NKQZEJVIEHGBAL-AWEZNQCLSA-N 1 2 376.881 2.355 20 0 GEADLO Brc1cc2c(cc1CN1CCC[C@H]1C[NH+]1CCOCC1)OCO2 ZINC000174026117 532046724 /nfs/dbraw/zinc/04/67/24/532046724.db2.gz DLHMPZFBDVJWNJ-AWEZNQCLSA-N 1 2 383.286 2.474 20 0 GEADLO CC(C)(O)C[NH+]1CCN(C(=O)c2cc(Br)cc(Cl)c2O)CC1 ZINC000174313929 532059684 /nfs/dbraw/zinc/05/96/84/532059684.db2.gz LGOJBAYETXTHFG-UHFFFAOYSA-N 1 2 391.693 2.337 20 0 GEADLO OC[C@@H](O)C[N@H+](CCC(F)(F)F)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000122155055 532059275 /nfs/dbraw/zinc/05/92/75/532059275.db2.gz JKKMCSKSFFVMPP-LBPRGKRZSA-N 1 2 379.766 2.498 20 0 GEADLO OC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000122155055 532059279 /nfs/dbraw/zinc/05/92/79/532059279.db2.gz JKKMCSKSFFVMPP-LBPRGKRZSA-N 1 2 379.766 2.498 20 0 GEADLO CC(C)OC(=O)[C@@H](C)C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000174281142 532059898 /nfs/dbraw/zinc/05/98/98/532059898.db2.gz MHEIREJRDZYXBY-TVQRCGJNSA-N 1 2 375.238 2.292 20 0 GEADLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C)C(=O)NC(N)=O ZINC000122200632 532061425 /nfs/dbraw/zinc/06/14/25/532061425.db2.gz YIRHDEDFYIGUBJ-SECBINFHSA-N 1 2 375.256 2.227 20 0 GEADLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C)C(=O)NC(N)=O ZINC000122200632 532061430 /nfs/dbraw/zinc/06/14/30/532061430.db2.gz YIRHDEDFYIGUBJ-SECBINFHSA-N 1 2 375.256 2.227 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc(Br)cc(Cl)c1O ZINC000174337396 532060677 /nfs/dbraw/zinc/06/06/77/532060677.db2.gz UIPZMYTXHZJODC-NSHDSACASA-N 1 2 389.677 2.401 20 0 GEADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc(Br)cc(Cl)c1O ZINC000174337396 532060685 /nfs/dbraw/zinc/06/06/85/532060685.db2.gz UIPZMYTXHZJODC-NSHDSACASA-N 1 2 389.677 2.401 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2sccc2Br)CC1 ZINC000174362091 532063416 /nfs/dbraw/zinc/06/34/16/532063416.db2.gz PJMTWFYXWVWXKZ-JTQLQIEISA-N 1 2 375.288 2.220 20 0 GEADLO O=C(NCc1ccccc1Br)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174427733 532064659 /nfs/dbraw/zinc/06/46/59/532064659.db2.gz UEDKEOXAWIGLNP-OAHLLOKOSA-N 1 2 382.302 2.455 20 0 GEADLO O=C(COc1ccc(Br)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174477295 532067010 /nfs/dbraw/zinc/06/70/10/532067010.db2.gz DMPCIHFXNIRUFU-OAHLLOKOSA-N 1 2 383.286 2.151 20 0 GEADLO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174487185 532065763 /nfs/dbraw/zinc/06/57/63/532065763.db2.gz KGLUPIVLQVVEOJ-CYBMUJFWSA-N 1 2 397.269 2.115 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH+](CCCc3cnn(C)c3)CC2)c(C)s1 ZINC000122855906 532085811 /nfs/dbraw/zinc/08/58/11/532085811.db2.gz YHPOJLCMUWOCLR-UHFFFAOYSA-N 1 2 382.555 2.038 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 ZINC000123331611 532097746 /nfs/dbraw/zinc/09/77/46/532097746.db2.gz LRGMOSZLKXXZQR-NSHDSACASA-N 1 2 397.324 2.079 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000123481598 532100274 /nfs/dbraw/zinc/10/02/74/532100274.db2.gz XWMUWRVZRVEVEV-UHFFFAOYSA-N 1 2 376.906 2.080 20 0 GEADLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000124282756 532117893 /nfs/dbraw/zinc/11/78/93/532117893.db2.gz CHFJUPVLBJIKSD-SMDDNHRTSA-N 1 2 379.869 2.086 20 0 GEADLO O=C(Nc1cccc(Br)c1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000124564700 532123902 /nfs/dbraw/zinc/12/39/02/532123902.db2.gz AIAJHACVGFNIHS-CQSZACIVSA-N 1 2 389.253 2.178 20 0 GEADLO NC(=O)NC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000175757946 532112485 /nfs/dbraw/zinc/11/24/85/532112485.db2.gz YQKZNJZXIIIZEO-UHFFFAOYSA-N 1 2 376.791 2.013 20 0 GEADLO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2nc3ncc(Br)cn3n2)c1 ZINC000124022194 532112615 /nfs/dbraw/zinc/11/26/15/532112615.db2.gz LWODWYYXWNAHCE-UHFFFAOYSA-N 1 2 399.212 2.028 20 0 GEADLO C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000175794263 532114838 /nfs/dbraw/zinc/11/48/38/532114838.db2.gz YYQCXFNXAIKUDY-CHWSQXEVSA-N 1 2 390.311 2.389 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@@H]1C ZINC000176308093 532133630 /nfs/dbraw/zinc/13/36/30/532133630.db2.gz CTPGPDREZZGSHW-VHSXEESVSA-N 1 2 391.693 2.335 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@@H]1C ZINC000176308093 532133633 /nfs/dbraw/zinc/13/36/33/532133633.db2.gz CTPGPDREZZGSHW-VHSXEESVSA-N 1 2 391.693 2.335 20 0 GEADLO O=C(CSCC(=O)c1ccc(Cl)cc1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000176316883 532134586 /nfs/dbraw/zinc/13/45/86/532134586.db2.gz KYEHITCECNDFTQ-MRXNPFEDSA-N 1 2 382.913 2.235 20 0 GEADLO O=C(CSCC(=O)c1ccc(Cl)cc1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000176316883 532134591 /nfs/dbraw/zinc/13/45/91/532134591.db2.gz KYEHITCECNDFTQ-MRXNPFEDSA-N 1 2 382.913 2.235 20 0 GEADLO COc1nc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)ncc1Br ZINC000176817393 532150184 /nfs/dbraw/zinc/15/01/84/532150184.db2.gz VNDOLRZJKRWCNH-LLVKDONJSA-N 1 2 394.273 2.480 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000176583492 532142113 /nfs/dbraw/zinc/14/21/13/532142113.db2.gz VQFIDQPDLKQLPK-YUELXQCFSA-N 1 2 387.307 2.248 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000125774145 532143232 /nfs/dbraw/zinc/14/32/32/532143232.db2.gz IGHXWGJIUFLYMU-CQSZACIVSA-N 1 2 381.274 2.393 20 0 GEADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000125774145 532143238 /nfs/dbraw/zinc/14/32/38/532143238.db2.gz IGHXWGJIUFLYMU-CQSZACIVSA-N 1 2 381.274 2.393 20 0 GEADLO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000126077263 532144779 /nfs/dbraw/zinc/14/47/79/532144779.db2.gz HFNRUQCDUDIVCR-AWEZNQCLSA-N 1 2 383.495 2.038 20 0 GEADLO C[N@@H+]1CCC[C@@H](CNC(=O)NCCS(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 ZINC000126264889 532147472 /nfs/dbraw/zinc/14/74/72/532147472.db2.gz HJEALXAZBVVEPV-HOCLYGCPSA-N 1 2 387.933 2.067 20 0 GEADLO C[N@H+]1CCC[C@@H](CNC(=O)NCCS(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 ZINC000126264889 532147477 /nfs/dbraw/zinc/14/74/77/532147477.db2.gz HJEALXAZBVVEPV-HOCLYGCPSA-N 1 2 387.933 2.067 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)c(Br)c1 ZINC000176738877 532148399 /nfs/dbraw/zinc/14/83/99/532148399.db2.gz DYTKMZDDWFRIDT-UHFFFAOYSA-N 1 2 397.250 2.382 20 0 GEADLO Cn1c[nH+]cc1CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000177248929 532166272 /nfs/dbraw/zinc/16/62/72/532166272.db2.gz NPIDDOSQMPRUAY-UHFFFAOYSA-N 1 2 389.308 2.233 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)sc1Br ZINC000176942900 532156710 /nfs/dbraw/zinc/15/67/10/532156710.db2.gz LDRUBTPAEFDNBR-LLVKDONJSA-N 1 2 377.329 2.454 20 0 GEADLO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)s1 ZINC000128123977 532161601 /nfs/dbraw/zinc/16/16/01/532161601.db2.gz UIFNFDKPYGJVPQ-INIZCTEOSA-N 1 2 376.507 2.437 20 0 GEADLO CN1C[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC1=O ZINC000129495261 532179185 /nfs/dbraw/zinc/17/91/85/532179185.db2.gz QLKVORGBDYPQDK-NVXWUHKLSA-N 1 2 394.313 2.323 20 0 GEADLO CN1C[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC1=O ZINC000129495482 532179781 /nfs/dbraw/zinc/17/97/81/532179781.db2.gz QLKVORGBDYPQDK-DOTOQJQBSA-N 1 2 394.313 2.323 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCc2ccc(O)c(Br)c2)CCO1 ZINC000177876864 532184910 /nfs/dbraw/zinc/18/49/10/532184910.db2.gz LQWHGXNKJRTSGZ-UHFFFAOYSA-N 1 2 386.290 2.065 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCc2ccc(O)c(Br)c2)CCO1 ZINC000177876864 532184914 /nfs/dbraw/zinc/18/49/14/532184914.db2.gz LQWHGXNKJRTSGZ-UHFFFAOYSA-N 1 2 386.290 2.065 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1c(F)cccc1Br ZINC000129816993 532185047 /nfs/dbraw/zinc/18/50/47/532185047.db2.gz KOKOHAIRNMAIPE-UHFFFAOYSA-N 1 2 383.221 2.272 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)Nc1cc(Br)ccc1F ZINC000178030788 532191027 /nfs/dbraw/zinc/19/10/27/532191027.db2.gz BQOUTGVWBIHTKL-UHFFFAOYSA-N 1 2 391.200 2.491 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000131530693 532199414 /nfs/dbraw/zinc/19/94/14/532199414.db2.gz CINFVYNKHBBFAH-ZDUSSCGKSA-N 1 2 391.269 2.205 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000129936341 532187115 /nfs/dbraw/zinc/18/71/15/532187115.db2.gz IKCIKRHLNGZVBP-SNVBAGLBSA-N 1 2 394.324 2.321 20 0 GEADLO NC(=O)c1cccnc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000131934636 532206298 /nfs/dbraw/zinc/20/62/98/532206298.db2.gz XVWWCJIATKBEFU-UHFFFAOYSA-N 1 2 375.270 2.265 20 0 GEADLO CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)C(C)C ZINC000178587743 532206547 /nfs/dbraw/zinc/20/65/47/532206547.db2.gz SDBRRGHQBNZJQP-HOTGVXAUSA-N 1 2 396.329 2.473 20 0 GEADLO Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000178606439 532207534 /nfs/dbraw/zinc/20/75/34/532207534.db2.gz MTWPARSPLMUJQC-AWEZNQCLSA-N 1 2 382.917 2.227 20 0 GEADLO Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000178606439 532207538 /nfs/dbraw/zinc/20/75/38/532207538.db2.gz MTWPARSPLMUJQC-AWEZNQCLSA-N 1 2 382.917 2.227 20 0 GEADLO Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000133316663 532231794 /nfs/dbraw/zinc/23/17/94/532231794.db2.gz HOFQJYYXGOQDIO-QWHCGFSZSA-N 1 2 391.331 2.145 20 0 GEADLO CC(C)(C)[N@H+](CC(=O)N1CCNC(=O)C1)Cc1ccccc1Br ZINC000132682390 532219956 /nfs/dbraw/zinc/21/99/56/532219956.db2.gz VHFYRKHRKDPYKA-UHFFFAOYSA-N 1 2 382.302 2.008 20 0 GEADLO CC(C)(C)[N@@H+](CC(=O)N1CCNC(=O)C1)Cc1ccccc1Br ZINC000132682390 532219958 /nfs/dbraw/zinc/21/99/58/532219958.db2.gz VHFYRKHRKDPYKA-UHFFFAOYSA-N 1 2 382.302 2.008 20 0 GEADLO C[C@]1(n2cc(C[NH2+]C3(c4nccs4)CCCC3)cn2)CCS(=O)(=O)C1 ZINC000132795653 532220550 /nfs/dbraw/zinc/22/05/50/532220550.db2.gz PSCGDSGMKFOYIS-INIZCTEOSA-N 1 2 380.539 2.432 20 0 GEADLO C[C@@]1(n2cc(C[NH2+]C3(c4nccs4)CCCC3)cn2)CCS(=O)(=O)C1 ZINC000132795833 532220750 /nfs/dbraw/zinc/22/07/50/532220750.db2.gz PSCGDSGMKFOYIS-MRXNPFEDSA-N 1 2 380.539 2.432 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000132846987 532222466 /nfs/dbraw/zinc/22/24/66/532222466.db2.gz JWQSCLPUSOLOAY-UHFFFAOYSA-N 1 2 383.857 2.349 20 0 GEADLO COC(=O)c1coc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000179193099 532224882 /nfs/dbraw/zinc/22/48/82/532224882.db2.gz SATAXIJLUNGPNE-AWEZNQCLSA-N 1 2 386.857 2.301 20 0 GEADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000133095829 532226461 /nfs/dbraw/zinc/22/64/61/532226461.db2.gz NGTDRZMCJVZVBP-AWEZNQCLSA-N 1 2 387.307 2.224 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179647474 532240033 /nfs/dbraw/zinc/24/00/33/532240033.db2.gz DDGQUFWXVOLJLT-JTQLQIEISA-N 1 2 378.288 2.085 20 0 GEADLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000179647474 532240034 /nfs/dbraw/zinc/24/00/34/532240034.db2.gz DDGQUFWXVOLJLT-JTQLQIEISA-N 1 2 378.288 2.085 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000133662833 532240709 /nfs/dbraw/zinc/24/07/09/532240709.db2.gz CDRLXJHZNHEQGO-UHFFFAOYSA-N 1 2 393.245 2.041 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1Br ZINC000134321108 532253839 /nfs/dbraw/zinc/25/38/39/532253839.db2.gz JZDHUAJXWADCFP-ZDUSSCGKSA-N 1 2 391.331 2.360 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1Br ZINC000134321108 532253841 /nfs/dbraw/zinc/25/38/41/532253841.db2.gz JZDHUAJXWADCFP-ZDUSSCGKSA-N 1 2 391.331 2.360 20 0 GEADLO O=C(NCCCCNc1cccc[nH+]1)C(=O)Nc1cccnc1Br ZINC000179746484 532241827 /nfs/dbraw/zinc/24/18/27/532241827.db2.gz UVBRYCVYLJJPAB-UHFFFAOYSA-N 1 2 392.257 2.186 20 0 GEADLO CN(C)C(=O)CN(C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000133720010 532241858 /nfs/dbraw/zinc/24/18/58/532241858.db2.gz UTWPCWYLSCLBOQ-INIZCTEOSA-N 1 2 382.302 2.133 20 0 GEADLO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1ncc(Br)cc1Br ZINC000135307249 532270435 /nfs/dbraw/zinc/27/04/35/532270435.db2.gz KQLUGFRUAGHPSH-SECBINFHSA-N 1 2 398.120 2.273 20 0 GEADLO O=C(CCc1cc(Cl)cs1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000135354443 532270680 /nfs/dbraw/zinc/27/06/80/532270680.db2.gz JDELVMPKBBNCRD-UHFFFAOYSA-N 1 2 383.945 2.491 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000134339436 532254888 /nfs/dbraw/zinc/25/48/88/532254888.db2.gz RRWDHTZVBVGXOY-CYBMUJFWSA-N 1 2 379.295 2.490 20 0 GEADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000134339436 532254894 /nfs/dbraw/zinc/25/48/94/532254894.db2.gz RRWDHTZVBVGXOY-CYBMUJFWSA-N 1 2 379.295 2.490 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135744330 532278820 /nfs/dbraw/zinc/27/88/20/532278820.db2.gz XSDDYARRTUULRR-BBRMVZONSA-N 1 2 385.917 2.167 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135744330 532278824 /nfs/dbraw/zinc/27/88/24/532278824.db2.gz XSDDYARRTUULRR-BBRMVZONSA-N 1 2 385.917 2.167 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135754064 532279970 /nfs/dbraw/zinc/27/99/70/532279970.db2.gz GNCFKJFMLKQGEN-AWEZNQCLSA-N 1 2 385.917 2.087 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135754064 532279975 /nfs/dbraw/zinc/27/99/75/532279975.db2.gz GNCFKJFMLKQGEN-AWEZNQCLSA-N 1 2 385.917 2.087 20 0 GEADLO Cc1cc(N2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2=O)ccc1Br ZINC000135961870 532280615 /nfs/dbraw/zinc/28/06/15/532280615.db2.gz RSIRFGNBRSAFMN-HNNXBMFYSA-N 1 2 391.269 2.266 20 0 GEADLO COc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)sc1Br ZINC000135983339 532281847 /nfs/dbraw/zinc/28/18/47/532281847.db2.gz BTWQZMGFLFAYNX-VHSXEESVSA-N 1 2 377.304 2.046 20 0 GEADLO COc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)sc1Br ZINC000135983339 532281850 /nfs/dbraw/zinc/28/18/50/532281850.db2.gz BTWQZMGFLFAYNX-VHSXEESVSA-N 1 2 377.304 2.046 20 0 GEADLO C[C@@H](CN1CCOCC1)[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180490815 532272849 /nfs/dbraw/zinc/27/28/49/532272849.db2.gz MMLFICSLTSTHDG-AWEZNQCLSA-N 1 2 386.323 2.472 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139009199 532291941 /nfs/dbraw/zinc/29/19/41/532291941.db2.gz BZBMDWPLGZACCE-WFASDCNBSA-N 1 2 395.301 2.266 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139009199 532291946 /nfs/dbraw/zinc/29/19/46/532291946.db2.gz BZBMDWPLGZACCE-WFASDCNBSA-N 1 2 395.301 2.266 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000151216109 532308374 /nfs/dbraw/zinc/30/83/74/532308374.db2.gz HQCDORFAYDTIEQ-LBPRGKRZSA-N 1 2 391.269 2.305 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000181331649 532295861 /nfs/dbraw/zinc/29/58/61/532295861.db2.gz HMNFAPNVPRZPKU-GFCCVEGCSA-N 1 2 383.208 2.263 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000181331649 532295864 /nfs/dbraw/zinc/29/58/64/532295864.db2.gz HMNFAPNVPRZPKU-GFCCVEGCSA-N 1 2 383.208 2.263 20 0 GEADLO O=C(Cn1cc(Br)cn1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000143748682 532297147 /nfs/dbraw/zinc/29/71/47/532297147.db2.gz LAKOQPKVTWNTFO-UHFFFAOYSA-N 1 2 379.258 2.117 20 0 GEADLO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cn1 ZINC000181695410 532305313 /nfs/dbraw/zinc/30/53/13/532305313.db2.gz UDQZMORPNWSKBR-OAHLLOKOSA-N 1 2 389.308 2.203 20 0 GEADLO COc1cc(Br)ccc1CCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000181769020 532305836 /nfs/dbraw/zinc/30/58/36/532305836.db2.gz HXXOMJHUKQJFKH-CQSZACIVSA-N 1 2 398.345 2.142 20 0 GEADLO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)NCC[NH+]1CCOCC1 ZINC000151156505 532307739 /nfs/dbraw/zinc/30/77/39/532307739.db2.gz OQRMOAUQDZWJEN-GFCCVEGCSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@@H](CNC(=O)CCc1cc(F)ccc1Br)[NH+]1CCN(C)CC1 ZINC000182321503 532311851 /nfs/dbraw/zinc/31/18/51/532311851.db2.gz QQZHFQNHONKSSO-ZDUSSCGKSA-N 1 2 386.309 2.273 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH+](Cc3ccc(CO)cc3)CC2)c(C)s1 ZINC000182861524 532318901 /nfs/dbraw/zinc/31/89/01/532318901.db2.gz IYVGOWLWFQDEMC-UHFFFAOYSA-N 1 2 380.535 2.364 20 0 GEADLO CC[C@@H]([NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1nccs1 ZINC000185114637 532336874 /nfs/dbraw/zinc/33/68/74/532336874.db2.gz CMJWICNGUYKFJL-HUUCEWRRSA-N 1 2 385.555 2.142 20 0 GEADLO COCCC[N@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000187244770 532343680 /nfs/dbraw/zinc/34/36/80/532343680.db2.gz NNGLSPNUWAQIPD-CJNGLKHVSA-N 1 2 379.881 2.038 20 0 GEADLO COCCC[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000187244770 532343681 /nfs/dbraw/zinc/34/36/81/532343681.db2.gz NNGLSPNUWAQIPD-CJNGLKHVSA-N 1 2 379.881 2.038 20 0 GEADLO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000185609014 532338130 /nfs/dbraw/zinc/33/81/30/532338130.db2.gz WJZCIBXHPULUKY-UXLLHSPISA-N 1 2 384.567 2.384 20 0 GEADLO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000185609014 532338131 /nfs/dbraw/zinc/33/81/31/532338131.db2.gz WJZCIBXHPULUKY-UXLLHSPISA-N 1 2 384.567 2.384 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1Cc2cccc(Br)c2C1 ZINC000185827235 532338923 /nfs/dbraw/zinc/33/89/23/532338923.db2.gz FEIIRCDDODZVCL-ZDUSSCGKSA-N 1 2 381.318 2.110 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185960206 532339294 /nfs/dbraw/zinc/33/92/94/532339294.db2.gz SAPRUGKREUYYGA-OAHLLOKOSA-N 1 2 388.331 2.199 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185960206 532339295 /nfs/dbraw/zinc/33/92/95/532339295.db2.gz SAPRUGKREUYYGA-OAHLLOKOSA-N 1 2 388.331 2.199 20 0 GEADLO COc1c(Br)cccc1CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000186862789 532342392 /nfs/dbraw/zinc/34/23/92/532342392.db2.gz KDFJCQBPWZOKQZ-CYBMUJFWSA-N 1 2 396.329 2.242 20 0 GEADLO CNC(=O)[C@@H]([NH2+]Cc1nc(Cc2cccc(Br)c2)no1)C(C)C ZINC000183642495 532327198 /nfs/dbraw/zinc/32/71/98/532327198.db2.gz JLDFEYSSBATJSV-HNNXBMFYSA-N 1 2 381.274 2.283 20 0 GEADLO CNC(=O)Cc1nc(C[NH2+][C@H](CO)c2cccc(Br)c2)cs1 ZINC000183896378 532329998 /nfs/dbraw/zinc/32/99/98/532329998.db2.gz KUQLXTGDDMCXFZ-CYBMUJFWSA-N 1 2 384.299 2.017 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184105874 532330832 /nfs/dbraw/zinc/33/08/32/532330832.db2.gz VDPFQPWNHXTOMK-HNNXBMFYSA-N 1 2 383.286 2.105 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184105874 532330833 /nfs/dbraw/zinc/33/08/33/532330833.db2.gz VDPFQPWNHXTOMK-HNNXBMFYSA-N 1 2 383.286 2.105 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000188064028 532346468 /nfs/dbraw/zinc/34/64/68/532346468.db2.gz BTKJSAGESJQASB-SNVBAGLBSA-N 1 2 385.288 2.210 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000188130432 532346828 /nfs/dbraw/zinc/34/68/28/532346828.db2.gz KFQDFVUOOXPJHY-UHFFFAOYSA-N 1 2 386.290 2.002 20 0 GEADLO COc1nc(C)c(Br)cc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000188130432 532346829 /nfs/dbraw/zinc/34/68/29/532346829.db2.gz KFQDFVUOOXPJHY-UHFFFAOYSA-N 1 2 386.290 2.002 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1c[nH]nc1-c1ccsc1 ZINC000188728858 532349431 /nfs/dbraw/zinc/34/94/31/532349431.db2.gz ATIAEVHAPPPBGW-KRWDZBQOSA-N 1 2 378.523 2.076 20 0 GEADLO Cc1sc(=O)n(CC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1C ZINC000188765028 532349511 /nfs/dbraw/zinc/34/95/11/532349511.db2.gz KIHCUVNFCAJLRV-UHFFFAOYSA-N 1 2 379.913 2.355 20 0 GEADLO Cc1sc(=O)n(CC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1C ZINC000188765028 532349512 /nfs/dbraw/zinc/34/95/12/532349512.db2.gz KIHCUVNFCAJLRV-UHFFFAOYSA-N 1 2 379.913 2.355 20 0 GEADLO O=C(CNC(=O)c1cccs1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189404680 532352150 /nfs/dbraw/zinc/35/21/50/532352150.db2.gz DENZBZCNQKGMRH-UHFFFAOYSA-N 1 2 377.897 2.306 20 0 GEADLO O=C(CNC(=O)c1cccs1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189404680 532352151 /nfs/dbraw/zinc/35/21/51/532352151.db2.gz DENZBZCNQKGMRH-UHFFFAOYSA-N 1 2 377.897 2.306 20 0 GEADLO CCC[C@@H]1CN(C(=O)c2ncc(Br)s2)CC[N@@H+]1CCOC ZINC000189549362 532352811 /nfs/dbraw/zinc/35/28/11/532352811.db2.gz SAIOQLWPCFNQRU-LLVKDONJSA-N 1 2 376.320 2.479 20 0 GEADLO CCC[C@@H]1CN(C(=O)c2ncc(Br)s2)CC[N@H+]1CCOC ZINC000189549362 532352812 /nfs/dbraw/zinc/35/28/12/532352812.db2.gz SAIOQLWPCFNQRU-LLVKDONJSA-N 1 2 376.320 2.479 20 0 GEADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000189588970 532352960 /nfs/dbraw/zinc/35/29/60/532352960.db2.gz LKSBMZNQNFKTKI-SWLSCSKDSA-N 1 2 375.252 2.320 20 0 GEADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000189588970 532352961 /nfs/dbraw/zinc/35/29/61/532352961.db2.gz LKSBMZNQNFKTKI-SWLSCSKDSA-N 1 2 375.252 2.320 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)CCOCC(F)F)c2ccc(Cl)cc2)C1 ZINC000189897810 532353943 /nfs/dbraw/zinc/35/39/43/532353943.db2.gz QICMGZAWOLCKQF-WMLDXEAASA-N 1 2 376.831 2.500 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)CCOCC(F)F)c2ccc(Cl)cc2)C1 ZINC000189897810 532353944 /nfs/dbraw/zinc/35/39/44/532353944.db2.gz QICMGZAWOLCKQF-WMLDXEAASA-N 1 2 376.831 2.500 20 0 GEADLO C[C@@H](NS(=O)(=O)c1ccc(CC(F)(F)F)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000189949782 532354301 /nfs/dbraw/zinc/35/43/01/532354301.db2.gz NNRLUWLPXONGGY-CHWSQXEVSA-N 1 2 380.432 2.179 20 0 GEADLO NS(=O)(=O)c1ccccc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000190277435 532355464 /nfs/dbraw/zinc/35/54/64/532355464.db2.gz UQIBUBQEMNZSHL-UHFFFAOYSA-N 1 2 383.876 2.449 20 0 GEADLO CCCc1cnc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)s1 ZINC000190406906 532355934 /nfs/dbraw/zinc/35/59/34/532355934.db2.gz VGCSVTKRXWEIBC-UHFFFAOYSA-N 1 2 378.523 2.270 20 0 GEADLO CCCc1cnc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)s1 ZINC000190406906 532355935 /nfs/dbraw/zinc/35/59/35/532355935.db2.gz VGCSVTKRXWEIBC-UHFFFAOYSA-N 1 2 378.523 2.270 20 0 GEADLO C[C@@H]1CN(CC[NH+]2CCN(Cc3ccc(Br)s3)CC2)CCO1 ZINC000191415541 532360813 /nfs/dbraw/zinc/36/08/13/532360813.db2.gz CZPJSUTYJHAFQC-CQSZACIVSA-N 1 2 388.375 2.349 20 0 GEADLO COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000190575224 532356820 /nfs/dbraw/zinc/35/68/20/532356820.db2.gz LEANAKBLTQVGQN-CYBMUJFWSA-N 1 2 388.917 2.222 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000190731413 532357554 /nfs/dbraw/zinc/35/75/54/532357554.db2.gz LIGZCDBNXVVWLZ-ZFWWWQNUSA-N 1 2 388.917 2.222 20 0 GEADLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(F)cc3Br)C2)CC1 ZINC000187475489 532344589 /nfs/dbraw/zinc/34/45/89/532344589.db2.gz LXZRLSDVZGDDGU-INIZCTEOSA-N 1 2 398.320 2.369 20 0 GEADLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)[C@H](C(N)=O)C1 ZINC000191923260 532373307 /nfs/dbraw/zinc/37/33/07/532373307.db2.gz COCPFJWHHRAFIH-GUYCJALGSA-N 1 2 396.329 2.372 20 0 GEADLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)[C@H](C(N)=O)C1 ZINC000191923260 532373313 /nfs/dbraw/zinc/37/33/13/532373313.db2.gz COCPFJWHHRAFIH-GUYCJALGSA-N 1 2 396.329 2.372 20 0 GEADLO CN(C)c1noc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)n1 ZINC000191901062 532373985 /nfs/dbraw/zinc/37/39/85/532373985.db2.gz WADWCYWQXVZRNA-UHFFFAOYSA-N 1 2 383.246 2.349 20 0 GEADLO Cc1cc(N2CCC[C@@H]([N@H+](C)CC(=O)NC3CC3)C2=O)ccc1Br ZINC000463478310 532374059 /nfs/dbraw/zinc/37/40/59/532374059.db2.gz IVLYHNUPZWVYGS-MRXNPFEDSA-N 1 2 394.313 2.463 20 0 GEADLO Cc1cc(N2CCC[C@@H]([N@@H+](C)CC(=O)NC3CC3)C2=O)ccc1Br ZINC000463478310 532374064 /nfs/dbraw/zinc/37/40/64/532374064.db2.gz IVLYHNUPZWVYGS-MRXNPFEDSA-N 1 2 394.313 2.463 20 0 GEADLO OCC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)C(F)F ZINC000647536387 532375214 /nfs/dbraw/zinc/37/52/14/532375214.db2.gz JKSVZCNSYQMVNC-MWLCHTKSSA-N 1 2 388.636 2.448 20 0 GEADLO CC(C)(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1c[nH]c[nH+]1 ZINC000621977135 532375583 /nfs/dbraw/zinc/37/55/83/532375583.db2.gz XIAOBOMUGAXHAA-CYBMUJFWSA-N 1 2 391.269 2.372 20 0 GEADLO OCC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)C(F)F ZINC000647536388 532375623 /nfs/dbraw/zinc/37/56/23/532375623.db2.gz JKSVZCNSYQMVNC-ONGXEEELSA-N 1 2 388.636 2.448 20 0 GEADLO COc1cc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)sc1Br ZINC000677504792 532376064 /nfs/dbraw/zinc/37/60/64/532376064.db2.gz VPPIXPWNCJGYQK-NSHDSACASA-N 1 2 389.315 2.456 20 0 GEADLO O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000647574892 532377093 /nfs/dbraw/zinc/37/70/93/532377093.db2.gz XAQYOJNNLUQAKK-ZDUSSCGKSA-N 1 2 381.885 2.079 20 0 GEADLO C[C@H](CNC(=O)Cc1ccc(I)cc1)Cn1cc[nH+]c1 ZINC000191499803 532361281 /nfs/dbraw/zinc/36/12/81/532361281.db2.gz CTZAEGBEPQHABO-GFCCVEGCSA-N 1 2 383.233 2.483 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)cc(N(C)C)c1 ZINC000294469807 532362226 /nfs/dbraw/zinc/36/22/26/532362226.db2.gz ZKLMNJXJMPGYBM-ZDUSSCGKSA-N 1 2 384.318 2.308 20 0 GEADLO Cc1ccc2[nH+]c(CNC(=O)c3cnn4cc(Br)cnc34)cn2c1 ZINC000557395065 532362445 /nfs/dbraw/zinc/36/24/45/532362445.db2.gz KESXGTNGBZHHEO-UHFFFAOYSA-N 1 2 385.225 2.378 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277874426 532364399 /nfs/dbraw/zinc/36/43/99/532364399.db2.gz UZUWQOKABDMBOU-NOZJJQNGSA-N 1 2 380.388 2.108 20 0 GEADLO COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277874426 532364405 /nfs/dbraw/zinc/36/44/05/532364405.db2.gz UZUWQOKABDMBOU-NOZJJQNGSA-N 1 2 380.388 2.108 20 0 GEADLO C[C@@H](C(=O)NCc1cccs1)[S@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000463024986 532364704 /nfs/dbraw/zinc/36/47/04/532364704.db2.gz ZZAHWSSOFCLORA-CCGUKBGLSA-N 1 2 379.429 2.461 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000677058661 532364720 /nfs/dbraw/zinc/36/47/20/532364720.db2.gz JFXJMKLQVGKIBV-UHFFFAOYSA-N 1 2 379.295 2.276 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000677058661 532364726 /nfs/dbraw/zinc/36/47/26/532364726.db2.gz JFXJMKLQVGKIBV-UHFFFAOYSA-N 1 2 379.295 2.276 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)C[C@@H]1C ZINC000677147916 532365545 /nfs/dbraw/zinc/36/55/45/532365545.db2.gz LDRSSOJLVZHXJO-LBPRGKRZSA-N 1 2 391.331 2.481 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)C[C@@H]1C ZINC000677147916 532365550 /nfs/dbraw/zinc/36/55/50/532365550.db2.gz LDRSSOJLVZHXJO-LBPRGKRZSA-N 1 2 391.331 2.481 20 0 GEADLO Cc1cnc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c(I)c1 ZINC000425233558 532378484 /nfs/dbraw/zinc/37/84/84/532378484.db2.gz WAYKWXDGRPUSLU-UHFFFAOYSA-N 1 2 383.237 2.040 20 0 GEADLO O=C(NCc1cc(Br)cc2c1OCC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000515487527 532366439 /nfs/dbraw/zinc/36/64/39/532366439.db2.gz XABYVBHXQRBBNC-GFCCVEGCSA-N 1 2 376.254 2.459 20 0 GEADLO O=C(CSc1ccc(Cl)cc1)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000371991702 532367220 /nfs/dbraw/zinc/36/72/20/532367220.db2.gz LGDPSEWVLPTGFM-GOSISDBHSA-N 1 2 384.929 2.430 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]34CCC(=O)N3CCS4)n2)C1 ZINC000557559932 532368629 /nfs/dbraw/zinc/36/86/29/532368629.db2.gz ZDBPZXZGVNQRRY-SJKOYZFVSA-N 1 2 380.539 2.379 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]34CCC(=O)N3CCS4)n2)C1 ZINC000557559932 532368634 /nfs/dbraw/zinc/36/86/34/532368634.db2.gz ZDBPZXZGVNQRRY-SJKOYZFVSA-N 1 2 380.539 2.379 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000463208074 532368968 /nfs/dbraw/zinc/36/89/68/532368968.db2.gz WEBHJUSMOFXIRJ-UHFFFAOYSA-N 1 2 387.374 2.002 20 0 GEADLO COc1ccc(Br)cc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000557580180 532369498 /nfs/dbraw/zinc/36/94/98/532369498.db2.gz YTBFKHUBEKBYGI-TZMCWYRMSA-N 1 2 383.286 2.393 20 0 GEADLO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1Cl ZINC000463232313 532370415 /nfs/dbraw/zinc/37/04/15/532370415.db2.gz DFAZEYRJAWBEEL-SNVBAGLBSA-N 1 2 378.803 2.245 20 0 GEADLO COc1cc(OC)c(NC(=O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1Cl ZINC000463232313 532370421 /nfs/dbraw/zinc/37/04/21/532370421.db2.gz DFAZEYRJAWBEEL-SNVBAGLBSA-N 1 2 378.803 2.245 20 0 GEADLO COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000372084543 532370673 /nfs/dbraw/zinc/37/06/73/532370673.db2.gz VNNYQYSUSSUDEP-GFCCVEGCSA-N 1 2 387.527 2.005 20 0 GEADLO COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000372084543 532370680 /nfs/dbraw/zinc/37/06/80/532370680.db2.gz VNNYQYSUSSUDEP-GFCCVEGCSA-N 1 2 387.527 2.005 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000425200115 532371327 /nfs/dbraw/zinc/37/13/27/532371327.db2.gz HBUSWTZLLBTPQH-UHFFFAOYSA-N 1 2 397.360 2.242 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000425199738 532371806 /nfs/dbraw/zinc/37/18/06/532371806.db2.gz GBYQPMNEOCIUAV-UHFFFAOYSA-N 1 2 391.331 2.180 20 0 GEADLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1)CCC2 ZINC000372244744 532378895 /nfs/dbraw/zinc/37/88/95/532378895.db2.gz XDSDKOOEPIMTBJ-ZDUSSCGKSA-N 1 2 381.885 2.312 20 0 GEADLO Cn1cc(I)c(C[NH2+][C@@H]2CCN(c3ccccc3)C2)n1 ZINC000590661312 532379739 /nfs/dbraw/zinc/37/97/39/532379739.db2.gz DBOFGAIJHMRIMC-GFCCVEGCSA-N 1 2 382.249 2.393 20 0 GEADLO O=C1C[C@@H]([N@@H+]2CC[C@H](n3cncn3)C2)C(=O)N1c1cccc(Cl)c1Cl ZINC000372268712 532379778 /nfs/dbraw/zinc/37/97/78/532379778.db2.gz RQHHHMMEWPXXKC-GXFFZTMASA-N 1 2 380.235 2.164 20 0 GEADLO O=C1C[C@@H]([N@H+]2CC[C@H](n3cncn3)C2)C(=O)N1c1cccc(Cl)c1Cl ZINC000372268712 532379784 /nfs/dbraw/zinc/37/97/84/532379784.db2.gz RQHHHMMEWPXXKC-GXFFZTMASA-N 1 2 380.235 2.164 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000677679678 532380720 /nfs/dbraw/zinc/38/07/20/532380720.db2.gz VKYSEOCHKWMNLZ-HNNXBMFYSA-N 1 2 384.929 2.313 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000677679678 532380727 /nfs/dbraw/zinc/38/07/27/532380727.db2.gz VKYSEOCHKWMNLZ-HNNXBMFYSA-N 1 2 384.929 2.313 20 0 GEADLO CC(C)(C)c1nc(CN2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)cs1 ZINC000677677208 532380991 /nfs/dbraw/zinc/38/09/91/532380991.db2.gz YZZRNDSGVUJJEE-HNNXBMFYSA-N 1 2 385.599 2.383 20 0 GEADLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000622880136 532381063 /nfs/dbraw/zinc/38/10/63/532381063.db2.gz MHEOLIKXXGIRDE-JTQLQIEISA-N 1 2 390.245 2.132 20 0 GEADLO CN(C)C(=O)[C@@](C)(NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C(F)(F)F ZINC000622900910 532381921 /nfs/dbraw/zinc/38/19/21/532381921.db2.gz QJGHOWUQEKMXRL-SWLSCSKDSA-N 1 2 379.810 2.468 20 0 GEADLO C[NH+](C)[C@@H](CNS(=O)(=O)c1c[nH]nc1C(F)(F)F)c1cccc(F)c1 ZINC000647891801 532382033 /nfs/dbraw/zinc/38/20/33/532382033.db2.gz IOBXFJNBYTXFBL-NSHDSACASA-N 1 2 380.367 2.149 20 0 GEADLO C[N@H+](CC(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)[C@H]1CCSC1 ZINC000425298105 532383496 /nfs/dbraw/zinc/38/34/96/532383496.db2.gz PXCWQUHYWJKXPT-AWEZNQCLSA-N 1 2 379.917 2.221 20 0 GEADLO C[N@@H+](CC(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)[C@H]1CCSC1 ZINC000425298105 532383501 /nfs/dbraw/zinc/38/35/01/532383501.db2.gz PXCWQUHYWJKXPT-AWEZNQCLSA-N 1 2 379.917 2.221 20 0 GEADLO COc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc(Br)c1OC ZINC000623301778 532385281 /nfs/dbraw/zinc/38/52/81/532385281.db2.gz SYHXMPBJALHNPB-LLVKDONJSA-N 1 2 380.242 2.408 20 0 GEADLO O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623299446 532386210 /nfs/dbraw/zinc/38/62/10/532386210.db2.gz YKSDLHIHCLSLMW-XHDPSFHLSA-N 1 2 376.869 2.471 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000372358439 532387522 /nfs/dbraw/zinc/38/75/22/532387522.db2.gz IRJBEHFAPCDARG-IXDOHACOSA-N 1 2 394.313 2.451 20 0 GEADLO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000372358439 532387527 /nfs/dbraw/zinc/38/75/27/532387527.db2.gz IRJBEHFAPCDARG-IXDOHACOSA-N 1 2 394.313 2.451 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1C(F)(F)F ZINC000558471245 532392166 /nfs/dbraw/zinc/39/21/66/532392166.db2.gz OEFYCVKQXBYSTQ-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1C(F)(F)F ZINC000558471245 532392170 /nfs/dbraw/zinc/39/21/70/532392170.db2.gz OEFYCVKQXBYSTQ-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO C[C@H]1CC[N@H+](CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)CCS1 ZINC000192182812 532392279 /nfs/dbraw/zinc/39/22/79/532392279.db2.gz KVDJHYUITXNPDD-DOTOQJQBSA-N 1 2 388.599 2.162 20 0 GEADLO C[C@H]1CC[N@@H+](CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)CCS1 ZINC000192182812 532392283 /nfs/dbraw/zinc/39/22/83/532392283.db2.gz KVDJHYUITXNPDD-DOTOQJQBSA-N 1 2 388.599 2.162 20 0 GEADLO NS(=O)(=O)c1ccc(NC[C@H]2CCC[N@@H+]2CC(F)F)cc1C(F)(F)F ZINC000624518423 532395743 /nfs/dbraw/zinc/39/57/43/532395743.db2.gz BQUGDGIUXZPWIW-SNVBAGLBSA-N 1 2 387.374 2.494 20 0 GEADLO NS(=O)(=O)c1ccc(NC[C@H]2CCC[N@H+]2CC(F)F)cc1C(F)(F)F ZINC000624518423 532395754 /nfs/dbraw/zinc/39/57/54/532395754.db2.gz BQUGDGIUXZPWIW-SNVBAGLBSA-N 1 2 387.374 2.494 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)c2cnc(Cl)c(F)c2)C[C@H](C)O1 ZINC000279272130 532393837 /nfs/dbraw/zinc/39/38/37/532393837.db2.gz NMBDQUVYHHHIEQ-XQQFMLRXSA-N 1 2 391.896 2.136 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)c2cnc(Cl)c(F)c2)C[C@H](C)O1 ZINC000279272130 532393839 /nfs/dbraw/zinc/39/38/39/532393839.db2.gz NMBDQUVYHHHIEQ-XQQFMLRXSA-N 1 2 391.896 2.136 20 0 GEADLO NS(=O)(=O)c1ccc(NC[C@@H]2CCC[N@@H+]2CC(F)F)cc1C(F)(F)F ZINC000624518422 532396015 /nfs/dbraw/zinc/39/60/15/532396015.db2.gz BQUGDGIUXZPWIW-JTQLQIEISA-N 1 2 387.374 2.494 20 0 GEADLO NS(=O)(=O)c1ccc(NC[C@@H]2CCC[N@H+]2CC(F)F)cc1C(F)(F)F ZINC000624518422 532396020 /nfs/dbraw/zinc/39/60/20/532396020.db2.gz BQUGDGIUXZPWIW-JTQLQIEISA-N 1 2 387.374 2.494 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1c(F)cc(F)cc1Br ZINC000192289004 532399637 /nfs/dbraw/zinc/39/96/37/532399637.db2.gz IWUAFCJXGHNVDI-JTQLQIEISA-N 1 2 391.260 2.485 20 0 GEADLO COc1ncc(Br)cc1CNC(=O)NCCNc1cccc[nH+]1 ZINC000624632946 532400436 /nfs/dbraw/zinc/40/04/36/532400436.db2.gz VYSMFENDLGLXFW-UHFFFAOYSA-N 1 2 380.246 2.159 20 0 GEADLO O=C(c1ccc(C(F)(F)F)cc1Cl)N(CCO)CC[NH+]1CCOCC1 ZINC000678796504 532401561 /nfs/dbraw/zinc/40/15/61/532401561.db2.gz XKRMUFALGXZGDH-UHFFFAOYSA-N 1 2 380.794 2.126 20 0 GEADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)s1 ZINC000679440110 532404431 /nfs/dbraw/zinc/40/44/31/532404431.db2.gz QEBWDEOYGZDYTA-LBPRGKRZSA-N 1 2 384.527 2.276 20 0 GEADLO CCCCN(C(=O)C[N@H+](C)[C@@H]1CC[C@H](SCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000464766640 532404887 /nfs/dbraw/zinc/40/48/87/532404887.db2.gz BCDBUBVLFSGEDB-IKGGRYGDSA-N 1 2 390.615 2.408 20 0 GEADLO CCCCN(C(=O)C[N@@H+](C)[C@@H]1CC[C@H](SCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000464766640 532404894 /nfs/dbraw/zinc/40/48/94/532404894.db2.gz BCDBUBVLFSGEDB-IKGGRYGDSA-N 1 2 390.615 2.408 20 0 GEADLO CCC[N@@H+]([C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000192543165 532405137 /nfs/dbraw/zinc/40/51/37/532405137.db2.gz VQCITADDDQTXDL-XJKSGUPXSA-N 1 2 388.892 2.484 20 0 GEADLO CCC[N@H+]([C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000192543165 532405144 /nfs/dbraw/zinc/40/51/44/532405144.db2.gz VQCITADDDQTXDL-XJKSGUPXSA-N 1 2 388.892 2.484 20 0 GEADLO CCCCN(C(=O)C[N@H+](C)[C@@H]1CC[C@@H](SCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000464766642 532405556 /nfs/dbraw/zinc/40/55/56/532405556.db2.gz BCDBUBVLFSGEDB-IXDOHACOSA-N 1 2 390.615 2.408 20 0 GEADLO CCCCN(C(=O)C[N@@H+](C)[C@@H]1CC[C@@H](SCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000464766642 532405559 /nfs/dbraw/zinc/40/55/59/532405559.db2.gz BCDBUBVLFSGEDB-IXDOHACOSA-N 1 2 390.615 2.408 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCOc1cccc(I)c1 ZINC000426398713 532406095 /nfs/dbraw/zinc/40/60/95/532406095.db2.gz YBEOKWKBQNSGAO-UHFFFAOYSA-N 1 2 385.205 2.442 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)NCc2cn3ccccc3[nH+]2)cc1OC ZINC000517215770 532407621 /nfs/dbraw/zinc/40/76/21/532407621.db2.gz PBOGITIIYQQZOM-UHFFFAOYSA-N 1 2 381.841 2.483 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464800488 532406081 /nfs/dbraw/zinc/40/60/81/532406081.db2.gz WIQHODGGMCCEKN-SJKOYZFVSA-N 1 2 380.286 2.378 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464800488 532406088 /nfs/dbraw/zinc/40/60/88/532406088.db2.gz WIQHODGGMCCEKN-SJKOYZFVSA-N 1 2 380.286 2.378 20 0 GEADLO COCC(C)(C)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000426422195 532406152 /nfs/dbraw/zinc/40/61/52/532406152.db2.gz TVCHYJGRCNGKQA-UHFFFAOYSA-N 1 2 390.933 2.328 20 0 GEADLO C[C@@]1(C(N)=O)CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000280243949 532409500 /nfs/dbraw/zinc/40/95/00/532409500.db2.gz ZZLPLPIKRRYIKC-MAUKXSAKSA-N 1 2 394.313 2.310 20 0 GEADLO Cc1nc(Cl)ccc1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000192746326 532409908 /nfs/dbraw/zinc/40/99/08/532409908.db2.gz XLQJPKWJLGGRCJ-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO Cc1nc(Cl)ccc1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000192746326 532409917 /nfs/dbraw/zinc/40/99/17/532409917.db2.gz XLQJPKWJLGGRCJ-UHFFFAOYSA-N 1 2 378.885 2.218 20 0 GEADLO COc1cc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc(Cl)c1OCC(N)=O ZINC000679741080 532408394 /nfs/dbraw/zinc/40/83/94/532408394.db2.gz UCUVIBCEFORSOI-LLVKDONJSA-N 1 2 378.803 2.416 20 0 GEADLO COc1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)cc(Cl)c1OCC(N)=O ZINC000679741080 532408397 /nfs/dbraw/zinc/40/83/97/532408397.db2.gz UCUVIBCEFORSOI-LLVKDONJSA-N 1 2 378.803 2.416 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N(C)CC[N@@H+]1CCOC[C@H]1C ZINC000192773844 532408937 /nfs/dbraw/zinc/40/89/37/532408937.db2.gz XMMHSILWOBSHLU-CJNGLKHVSA-N 1 2 385.302 2.316 20 0 GEADLO COC(=O)[C@H](c1cccc(Br)c1)N(C)CC[N@H+]1CCOC[C@H]1C ZINC000192773844 532408942 /nfs/dbraw/zinc/40/89/42/532408942.db2.gz XMMHSILWOBSHLU-CJNGLKHVSA-N 1 2 385.302 2.316 20 0 GEADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)NCc1ccccc1Br ZINC000192833690 532412480 /nfs/dbraw/zinc/41/24/80/532412480.db2.gz SFBQAPXGSYVOER-UHFFFAOYSA-N 1 2 389.297 2.283 20 0 GEADLO Cc1cccn2cc(CS(=O)(=O)Cc3ccc(S(C)(=O)=O)cc3)[nH+]c12 ZINC000560077169 532412711 /nfs/dbraw/zinc/41/27/11/532412711.db2.gz ITMIZHFWRZNURR-UHFFFAOYSA-N 1 2 378.475 2.161 20 0 GEADLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000295157778 532410785 /nfs/dbraw/zinc/41/07/85/532410785.db2.gz CTTDSOHYYQIOSI-UHFFFAOYSA-N 1 2 380.367 2.403 20 0 GEADLO CN(C)c1cc[nH+]c(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)c1 ZINC000680256857 532410962 /nfs/dbraw/zinc/41/09/62/532410962.db2.gz OVELKJIZTKYFOP-UHFFFAOYSA-N 1 2 380.495 2.246 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)Cc1csc(Br)c1 ZINC000591601800 532413863 /nfs/dbraw/zinc/41/38/63/532413863.db2.gz WNCLKPYLKDUKNJ-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)Cc1csc(Br)c1 ZINC000591601800 532413870 /nfs/dbraw/zinc/41/38/70/532413870.db2.gz WNCLKPYLKDUKNJ-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000427163388 532414535 /nfs/dbraw/zinc/41/45/35/532414535.db2.gz GPVZXCQTYBYVGG-RBSFLKMASA-N 1 2 384.929 2.455 20 0 GEADLO CC[C@@H](CC(F)(F)F)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000680624461 532419691 /nfs/dbraw/zinc/41/96/91/532419691.db2.gz QHGSAKOBUVURLB-LBPRGKRZSA-N 1 2 380.436 2.161 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000591758494 532422245 /nfs/dbraw/zinc/42/22/45/532422245.db2.gz OWHSKOLRLCGQJQ-SECBINFHSA-N 1 2 394.686 2.422 20 0 GEADLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H](O)CC1(O)CCC1 ZINC000625387015 532423169 /nfs/dbraw/zinc/42/31/69/532423169.db2.gz JMBIOEYBCUBSTJ-INIZCTEOSA-N 1 2 395.301 2.128 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000517708938 532423193 /nfs/dbraw/zinc/42/31/93/532423193.db2.gz JFOQDTBBDSNGQF-AWEZNQCLSA-N 1 2 386.880 2.156 20 0 GEADLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)C[C@@H](O)CC1(O)CCC1 ZINC000625387015 532423173 /nfs/dbraw/zinc/42/31/73/532423173.db2.gz JMBIOEYBCUBSTJ-INIZCTEOSA-N 1 2 395.301 2.128 20 0 GEADLO Cn1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000517708938 532423198 /nfs/dbraw/zinc/42/31/98/532423198.db2.gz JFOQDTBBDSNGQF-AWEZNQCLSA-N 1 2 386.880 2.156 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000681186418 532423466 /nfs/dbraw/zinc/42/34/66/532423466.db2.gz NGBGNLLORFKACM-HNNXBMFYSA-N 1 2 391.269 2.239 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000591758494 532422237 /nfs/dbraw/zinc/42/22/37/532422237.db2.gz OWHSKOLRLCGQJQ-SECBINFHSA-N 1 2 394.686 2.422 20 0 GEADLO Nc1c(NCCCCn2cc(Br)cn2)[nH+]cnc1-n1cccn1 ZINC000281477872 532424025 /nfs/dbraw/zinc/42/40/25/532424025.db2.gz NAYOBBWXFKMCAV-UHFFFAOYSA-N 1 2 377.250 2.096 20 0 GEADLO CN1CC[C@@H](C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000681331406 532428216 /nfs/dbraw/zinc/42/82/16/532428216.db2.gz GXBWFTXSBSGGAQ-CQSZACIVSA-N 1 2 384.307 2.158 20 0 GEADLO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000193630084 532428245 /nfs/dbraw/zinc/42/82/45/532428245.db2.gz XSBONBOJQFLGPH-IUODEOHRSA-N 1 2 379.507 2.419 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(I)cc1 ZINC000517898389 532430857 /nfs/dbraw/zinc/43/08/57/532430857.db2.gz FHLXITMUTJZESA-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(I)cc1 ZINC000517898389 532430863 /nfs/dbraw/zinc/43/08/63/532430863.db2.gz FHLXITMUTJZESA-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO O=C(C[N@@H+]1CCCC12CCC2)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000373102765 532431354 /nfs/dbraw/zinc/43/13/54/532431354.db2.gz BNHPLLKREBFHFD-OAHLLOKOSA-N 1 2 382.551 2.282 20 0 GEADLO O=C(C[N@H+]1CCCC12CCC2)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000373102765 532431362 /nfs/dbraw/zinc/43/13/62/532431362.db2.gz BNHPLLKREBFHFD-OAHLLOKOSA-N 1 2 382.551 2.282 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000373102559 532431692 /nfs/dbraw/zinc/43/16/92/532431692.db2.gz ATVHCXNCUBWDEN-LLVKDONJSA-N 1 2 394.273 2.293 20 0 GEADLO Cc1c(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cnn1C ZINC000427792050 532431951 /nfs/dbraw/zinc/43/19/51/532431951.db2.gz YVYOWMKZCWEGTI-UHFFFAOYSA-N 1 2 387.303 2.353 20 0 GEADLO O=C(C[N@@H+]1CCCC12CCC2)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000373102764 532431998 /nfs/dbraw/zinc/43/19/98/532431998.db2.gz BNHPLLKREBFHFD-HNNXBMFYSA-N 1 2 382.551 2.282 20 0 GEADLO O=C(C[N@H+]1CCCC12CCC2)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000373102764 532432004 /nfs/dbraw/zinc/43/20/04/532432004.db2.gz BNHPLLKREBFHFD-HNNXBMFYSA-N 1 2 382.551 2.282 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000626168296 532435626 /nfs/dbraw/zinc/43/56/26/532435626.db2.gz ONRQARBQDAYOJO-VXGBXAGGSA-N 1 2 391.896 2.067 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000626168296 532435628 /nfs/dbraw/zinc/43/56/28/532435628.db2.gz ONRQARBQDAYOJO-VXGBXAGGSA-N 1 2 391.896 2.067 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2CCC[C@@H]21)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000681711628 532436249 /nfs/dbraw/zinc/43/62/49/532436249.db2.gz FRLSQTOEDDAUDC-ZOBUZTSGSA-N 1 2 382.551 2.138 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000681711628 532436252 /nfs/dbraw/zinc/43/62/52/532436252.db2.gz FRLSQTOEDDAUDC-ZOBUZTSGSA-N 1 2 382.551 2.138 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000626167842 532436342 /nfs/dbraw/zinc/43/63/42/532436342.db2.gz DNQOVGXCIRLWTF-LLVKDONJSA-N 1 2 394.324 2.193 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000626167842 532436347 /nfs/dbraw/zinc/43/63/47/532436347.db2.gz DNQOVGXCIRLWTF-LLVKDONJSA-N 1 2 394.324 2.193 20 0 GEADLO COCC[C@@H](CO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000281791529 532432537 /nfs/dbraw/zinc/43/25/37/532432537.db2.gz VQWZNVJZAWITLL-HOTGVXAUSA-N 1 2 385.302 2.100 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(Br)cc1)C2 ZINC000517975960 532432595 /nfs/dbraw/zinc/43/25/95/532432595.db2.gz IBQLZCMFQFKHEB-CQSZACIVSA-N 1 2 378.270 2.234 20 0 GEADLO COc1cc(Br)c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1OC ZINC000650078477 532433633 /nfs/dbraw/zinc/43/36/33/532433633.db2.gz DNAWTZHASOMVBG-JTQLQIEISA-N 1 2 380.242 2.408 20 0 GEADLO Cc1nc2cc(Br)cc(NC(=O)NC[C@@H]3COCC[N@H+]3C)c2o1 ZINC000626507926 532437221 /nfs/dbraw/zinc/43/72/21/532437221.db2.gz UKTSTMJNEFGDFV-LLVKDONJSA-N 1 2 383.246 2.351 20 0 GEADLO Cc1nc2cc(Br)cc(NC(=O)NC[C@@H]3COCC[N@@H+]3C)c2o1 ZINC000626507926 532437225 /nfs/dbraw/zinc/43/72/25/532437225.db2.gz UKTSTMJNEFGDFV-LLVKDONJSA-N 1 2 383.246 2.351 20 0 GEADLO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)CCO1 ZINC000193928318 532437483 /nfs/dbraw/zinc/43/74/83/532437483.db2.gz SACDCROTQWSICB-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)CCO1 ZINC000193928318 532437492 /nfs/dbraw/zinc/43/74/92/532437492.db2.gz SACDCROTQWSICB-GFCCVEGCSA-N 1 2 376.881 2.353 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)CCc3cccc(Br)c3)CC2)cn1 ZINC000592065877 532438549 /nfs/dbraw/zinc/43/85/49/532438549.db2.gz ZQJZIHOPXNHJGU-UHFFFAOYSA-N 1 2 391.313 2.460 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000650146852 532439155 /nfs/dbraw/zinc/43/91/55/532439155.db2.gz JTDIPWPMQDDOQE-UTUOFQBUSA-N 1 2 378.947 2.256 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000650146852 532439160 /nfs/dbraw/zinc/43/91/60/532439160.db2.gz JTDIPWPMQDDOQE-UTUOFQBUSA-N 1 2 378.947 2.256 20 0 GEADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000518352427 532439914 /nfs/dbraw/zinc/43/99/14/532439914.db2.gz BAICTXOFBORDBP-CQSZACIVSA-N 1 2 391.269 2.435 20 0 GEADLO COc1cc(NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)[nH]n1 ZINC000626583320 532440164 /nfs/dbraw/zinc/44/01/64/532440164.db2.gz IIGVTDNTGMMZIE-UHFFFAOYSA-N 1 2 397.233 2.056 20 0 GEADLO COC(C)(C)CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000518441633 532442301 /nfs/dbraw/zinc/44/23/01/532442301.db2.gz MWJZOGMHTBVIOM-CYBMUJFWSA-N 1 2 376.469 2.274 20 0 GEADLO COC(C)(C)CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000518441633 532442312 /nfs/dbraw/zinc/44/23/12/532442312.db2.gz MWJZOGMHTBVIOM-CYBMUJFWSA-N 1 2 376.469 2.274 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CCO1 ZINC000428094983 532442665 /nfs/dbraw/zinc/44/26/65/532442665.db2.gz VXZSQVOUUWIYLI-AWEZNQCLSA-N 1 2 385.295 2.411 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CCO1 ZINC000428094983 532442673 /nfs/dbraw/zinc/44/26/73/532442673.db2.gz VXZSQVOUUWIYLI-AWEZNQCLSA-N 1 2 385.295 2.411 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)NCc3ccc(Br)cc3)CC2)cn1 ZINC000518559060 532443548 /nfs/dbraw/zinc/44/35/48/532443548.db2.gz OSUDSEUCGSMWGS-UHFFFAOYSA-N 1 2 392.301 2.210 20 0 GEADLO COC(=O)c1cc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)cn1C ZINC000518836523 532447178 /nfs/dbraw/zinc/44/71/78/532447178.db2.gz DVUJLOIPAGFXJK-UHFFFAOYSA-N 1 2 395.257 2.040 20 0 GEADLO COC(=O)c1cc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)cn1C ZINC000518836523 532447182 /nfs/dbraw/zinc/44/71/82/532447182.db2.gz DVUJLOIPAGFXJK-UHFFFAOYSA-N 1 2 395.257 2.040 20 0 GEADLO Cn1cc[nH+]c1CN1CCN(C(=O)NCc2ccc(Br)s2)CC1 ZINC000592343481 532450041 /nfs/dbraw/zinc/45/00/41/532450041.db2.gz QBHLOALSARORQJ-UHFFFAOYSA-N 1 2 398.330 2.272 20 0 GEADLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cnn(CC(F)F)c1 ZINC000295521289 532454896 /nfs/dbraw/zinc/45/48/96/532454896.db2.gz ZYKYMYYRFSFMCG-UHFFFAOYSA-N 1 2 388.216 2.376 20 0 GEADLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cnn(CC(F)F)c1 ZINC000295521289 532454903 /nfs/dbraw/zinc/45/49/03/532454903.db2.gz ZYKYMYYRFSFMCG-UHFFFAOYSA-N 1 2 388.216 2.376 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000373525255 532456042 /nfs/dbraw/zinc/45/60/42/532456042.db2.gz YQMHRHXAZYIDJZ-KBPBESRZSA-N 1 2 386.901 2.074 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000373525255 532456049 /nfs/dbraw/zinc/45/60/49/532456049.db2.gz YQMHRHXAZYIDJZ-KBPBESRZSA-N 1 2 386.901 2.074 20 0 GEADLO Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1I ZINC000519122681 532456104 /nfs/dbraw/zinc/45/61/04/532456104.db2.gz RQVNDYSUYHVOAV-GFCCVEGCSA-N 1 2 388.249 2.050 20 0 GEADLO Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1I ZINC000519122681 532456110 /nfs/dbraw/zinc/45/61/10/532456110.db2.gz RQVNDYSUYHVOAV-GFCCVEGCSA-N 1 2 388.249 2.050 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC000194759291 532456332 /nfs/dbraw/zinc/45/63/32/532456332.db2.gz UULLPENDSAQYAV-UHFFFAOYSA-N 1 2 387.221 2.404 20 0 GEADLO O=C(Cn1cc(Cl)cn1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000562179542 532459358 /nfs/dbraw/zinc/45/93/58/532459358.db2.gz RLIPVWOJTNSLLX-UHFFFAOYSA-N 1 2 383.279 2.413 20 0 GEADLO [NH3+]CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 ZINC000428797312 532461874 /nfs/dbraw/zinc/46/18/74/532461874.db2.gz BXIUSLZXMPDUFZ-UHFFFAOYSA-N 1 2 379.507 2.360 20 0 GEADLO CC(=O)N1CC[NH+](CCNc2ncnc3cc(Br)sc32)CC1 ZINC000651297949 532463906 /nfs/dbraw/zinc/46/39/06/532463906.db2.gz LANCTFCSOWZIMI-UHFFFAOYSA-N 1 2 384.303 2.030 20 0 GEADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)NCc1csc(Br)c1 ZINC000468443413 532465149 /nfs/dbraw/zinc/46/51/49/532465149.db2.gz GIJHGZAHJZSUCT-UHFFFAOYSA-N 1 2 395.326 2.344 20 0 GEADLO CCOCCOCCN(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000468526307 532466585 /nfs/dbraw/zinc/46/65/85/532466585.db2.gz CLZFDYMCKFFJNF-UHFFFAOYSA-N 1 2 399.289 2.291 20 0 GEADLO CCC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@@H]1CC(=O)N(C)C1=O ZINC000282466490 532469496 /nfs/dbraw/zinc/46/94/96/532469496.db2.gz KIMFSBCKDKVJMI-SECBINFHSA-N 1 2 397.229 2.061 20 0 GEADLO CCC[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@@H]1CC(=O)N(C)C1=O ZINC000282466490 532469500 /nfs/dbraw/zinc/46/95/00/532469500.db2.gz KIMFSBCKDKVJMI-SECBINFHSA-N 1 2 397.229 2.061 20 0 GEADLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000282485891 532470862 /nfs/dbraw/zinc/47/08/62/532470862.db2.gz MAWCUTPPPPHUJG-UHFFFAOYSA-N 1 2 376.507 2.264 20 0 GEADLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000282485891 532470869 /nfs/dbraw/zinc/47/08/69/532470869.db2.gz MAWCUTPPPPHUJG-UHFFFAOYSA-N 1 2 376.507 2.264 20 0 GEADLO O=C1C[C@@H]([N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C(=O)N1CC(F)(F)F ZINC000195246350 532472746 /nfs/dbraw/zinc/47/27/46/532472746.db2.gz NVZFTGJNBJNCQA-CHWSQXEVSA-N 1 2 376.762 2.483 20 0 GEADLO O=C1C[C@@H]([N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C(=O)N1CC(F)(F)F ZINC000195246350 532472754 /nfs/dbraw/zinc/47/27/54/532472754.db2.gz NVZFTGJNBJNCQA-CHWSQXEVSA-N 1 2 376.762 2.483 20 0 GEADLO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)c1 ZINC000295804667 532477096 /nfs/dbraw/zinc/47/70/96/532477096.db2.gz BGUPCNKTELHPCG-HNNXBMFYSA-N 1 2 385.511 2.106 20 0 GEADLO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920158 532477825 /nfs/dbraw/zinc/47/78/25/532477825.db2.gz BJUVNVKGFFKVTE-CMPLNLGQSA-N 1 2 391.693 2.317 20 0 GEADLO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920158 532477833 /nfs/dbraw/zinc/47/78/33/532477833.db2.gz BJUVNVKGFFKVTE-CMPLNLGQSA-N 1 2 391.693 2.317 20 0 GEADLO Cc1ccc(I)c(C(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000195477558 532477918 /nfs/dbraw/zinc/47/79/18/532477918.db2.gz YWTPAZVYEAVYKY-GFCCVEGCSA-N 1 2 388.249 2.050 20 0 GEADLO O=S(=O)(c1ccc(Cl)c(F)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000651582628 532479628 /nfs/dbraw/zinc/47/96/28/532479628.db2.gz CNIBQOPXABYFBW-ZDUSSCGKSA-N 1 2 376.881 2.355 20 0 GEADLO COCCCNC(=O)C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000198742896 532482137 /nfs/dbraw/zinc/48/21/37/532482137.db2.gz IPGXJEULJYVPDW-LBPRGKRZSA-N 1 2 390.311 2.255 20 0 GEADLO COCCCNC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000198742896 532482149 /nfs/dbraw/zinc/48/21/49/532482149.db2.gz IPGXJEULJYVPDW-LBPRGKRZSA-N 1 2 390.311 2.255 20 0 GEADLO O=S(=O)(NCc1[nH+]ccn1CC(F)(F)F)c1cccc2c1OCCC2 ZINC000651628673 532483269 /nfs/dbraw/zinc/48/32/69/532483269.db2.gz YFDRZLMKKNAETB-UHFFFAOYSA-N 1 2 375.372 2.249 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCOc1ccccc1Br ZINC000468976337 532483398 /nfs/dbraw/zinc/48/33/98/532483398.db2.gz OVRQVXJGNPAOPD-AWEZNQCLSA-N 1 2 385.302 2.397 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)COc1ccc(F)cc1Br ZINC000469003180 532485236 /nfs/dbraw/zinc/48/52/36/532485236.db2.gz SDKAKWVACSAPDJ-LBPRGKRZSA-N 1 2 389.265 2.146 20 0 GEADLO COC(=O)CCNC(=O)C[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000520175135 532486041 /nfs/dbraw/zinc/48/60/41/532486041.db2.gz WYBPQHGILNDUCZ-UHFFFAOYSA-N 1 2 387.249 2.232 20 0 GEADLO COC(=O)CCNC(=O)C[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000520175135 532486047 /nfs/dbraw/zinc/48/60/47/532486047.db2.gz WYBPQHGILNDUCZ-UHFFFAOYSA-N 1 2 387.249 2.232 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000282695143 532489265 /nfs/dbraw/zinc/48/92/65/532489265.db2.gz XKTLAWJMIXPKSK-SWLSCSKDSA-N 1 2 398.301 2.293 20 0 GEADLO CCS(=O)(=O)NCC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000520289772 532489425 /nfs/dbraw/zinc/48/94/25/532489425.db2.gz QBVDGLDNLPIWDY-UHFFFAOYSA-N 1 2 379.295 2.492 20 0 GEADLO CCS(=O)(=O)NCC[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000520289772 532489434 /nfs/dbraw/zinc/48/94/34/532489434.db2.gz QBVDGLDNLPIWDY-UHFFFAOYSA-N 1 2 379.295 2.492 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1csc(I)c1 ZINC000469102861 532491399 /nfs/dbraw/zinc/49/13/99/532491399.db2.gz ZWZZZLZTBNGQMM-SNVBAGLBSA-N 1 2 394.278 2.145 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000469142572 532493314 /nfs/dbraw/zinc/49/33/14/532493314.db2.gz FYBYSMQPRRALIP-UHFFFAOYSA-N 1 2 384.307 2.433 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000469166200 532494288 /nfs/dbraw/zinc/49/42/88/532494288.db2.gz YLFPUBOXAPTTKH-MCIONIFRSA-N 1 2 390.933 2.467 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000469166200 532494290 /nfs/dbraw/zinc/49/42/90/532494290.db2.gz YLFPUBOXAPTTKH-MCIONIFRSA-N 1 2 390.933 2.467 20 0 GEADLO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000520575116 532495243 /nfs/dbraw/zinc/49/52/43/532495243.db2.gz BWPZZTHBGHEUBM-SFHVURJKSA-N 1 2 384.929 2.385 20 0 GEADLO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000520575116 532495246 /nfs/dbraw/zinc/49/52/46/532495246.db2.gz BWPZZTHBGHEUBM-SFHVURJKSA-N 1 2 384.929 2.385 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCC3(CCO)CC3)[nH+]c12 ZINC000430305061 532496185 /nfs/dbraw/zinc/49/61/85/532496185.db2.gz MKNPTVHAUYSBBR-UHFFFAOYSA-N 1 2 381.274 2.367 20 0 GEADLO COC(=O)[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(Br)cc2)[C@H]1C(C)C ZINC000429360663 532475098 /nfs/dbraw/zinc/47/50/98/532475098.db2.gz IALMEDWGDBIWIV-KKUMJFAQSA-N 1 2 383.286 2.495 20 0 GEADLO COC(=O)[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(Br)cc2)[C@H]1C(C)C ZINC000429360663 532475101 /nfs/dbraw/zinc/47/51/01/532475101.db2.gz IALMEDWGDBIWIV-KKUMJFAQSA-N 1 2 383.286 2.495 20 0 GEADLO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H](C)O1 ZINC000195318479 532475615 /nfs/dbraw/zinc/47/56/15/532475615.db2.gz WEVYQPGGNNTWEF-OKILXGFUSA-N 1 2 376.469 2.224 20 0 GEADLO C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H](C)O1 ZINC000195318479 532475622 /nfs/dbraw/zinc/47/56/22/532475622.db2.gz WEVYQPGGNNTWEF-OKILXGFUSA-N 1 2 376.469 2.224 20 0 GEADLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000431097720 532504723 /nfs/dbraw/zinc/50/47/23/532504723.db2.gz AUSFRARLZFYBKR-UWVGGRQHSA-N 1 2 381.278 2.267 20 0 GEADLO Cc1cccc(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1Br ZINC000469578580 532506338 /nfs/dbraw/zinc/50/63/38/532506338.db2.gz MOFNROYHRVSISO-LBPRGKRZSA-N 1 2 391.269 2.446 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000283029792 532513974 /nfs/dbraw/zinc/51/39/74/532513974.db2.gz KMHPKYXSIMUYFG-HNNXBMFYSA-N 1 2 397.248 2.017 20 0 GEADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000283029792 532513977 /nfs/dbraw/zinc/51/39/77/532513977.db2.gz KMHPKYXSIMUYFG-HNNXBMFYSA-N 1 2 397.248 2.017 20 0 GEADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)s2)n1C ZINC000283024740 532514056 /nfs/dbraw/zinc/51/40/56/532514056.db2.gz COSDNFFGGHJLFX-UHFFFAOYSA-N 1 2 386.319 2.075 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)ccc1Br ZINC000469843899 532514662 /nfs/dbraw/zinc/51/46/62/532514662.db2.gz NXJISTBJFKDQMV-NORZTCDRSA-N 1 2 380.286 2.282 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)ccc1Br ZINC000469843899 532514669 /nfs/dbraw/zinc/51/46/69/532514669.db2.gz NXJISTBJFKDQMV-NORZTCDRSA-N 1 2 380.286 2.282 20 0 GEADLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000242598043 532519248 /nfs/dbraw/zinc/51/92/48/532519248.db2.gz CJKKXBIHPXQKIC-GFCCVEGCSA-N 1 2 386.279 2.113 20 0 GEADLO O=C(c1c[nH]c(=O)c(Br)c1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000374376722 532498256 /nfs/dbraw/zinc/49/82/56/532498256.db2.gz GCNRTAZDDREBPJ-CQSZACIVSA-N 1 2 380.217 2.476 20 0 GEADLO C[N@H+](Cc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2cnccn2)C1=O ZINC000520778074 532499337 /nfs/dbraw/zinc/49/93/37/532499337.db2.gz WSBRZNNHDIKHGQ-CYBMUJFWSA-N 1 2 375.226 2.003 20 0 GEADLO C[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2cnccn2)C1=O ZINC000520778074 532499341 /nfs/dbraw/zinc/49/93/41/532499341.db2.gz WSBRZNNHDIKHGQ-CYBMUJFWSA-N 1 2 375.226 2.003 20 0 GEADLO CO[C@@H](CCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1)C(F)(F)F ZINC000469298648 532499744 /nfs/dbraw/zinc/49/97/44/532499744.db2.gz VKOFXHRARQRVAJ-ZDUSSCGKSA-N 1 2 380.436 2.328 20 0 GEADLO CO[C@@H](CCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)C(F)(F)F ZINC000469298648 532499748 /nfs/dbraw/zinc/49/97/48/532499748.db2.gz VKOFXHRARQRVAJ-ZDUSSCGKSA-N 1 2 380.436 2.328 20 0 GEADLO CS(=O)(=O)c1ccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)s1 ZINC000469276655 532499787 /nfs/dbraw/zinc/49/97/87/532499787.db2.gz QTEDOMAAFGYBKA-UHFFFAOYSA-N 1 2 393.939 2.498 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000593885869 532502108 /nfs/dbraw/zinc/50/21/08/532502108.db2.gz DCHOIGMHLNDZSH-UHFFFAOYSA-N 1 2 386.945 2.380 20 0 GEADLO O=C1CN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c2cc[nH+]cc2N1 ZINC000470769124 532535617 /nfs/dbraw/zinc/53/56/17/532535617.db2.gz JTSGTZYKWBOJHJ-UHFFFAOYSA-N 1 2 375.303 2.387 20 0 GEADLO C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246252496 532535793 /nfs/dbraw/zinc/53/57/93/532535793.db2.gz GTZPZZGUVBEBPU-KNXALSJPSA-N 1 2 376.881 2.180 20 0 GEADLO C[N@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246252496 532535798 /nfs/dbraw/zinc/53/57/98/532535798.db2.gz GTZPZZGUVBEBPU-KNXALSJPSA-N 1 2 376.881 2.180 20 0 GEADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000470939845 532539199 /nfs/dbraw/zinc/53/91/99/532539199.db2.gz ISAJYKZIGACKPT-PSASIEDQSA-N 1 2 399.822 2.199 20 0 GEADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000470939845 532539204 /nfs/dbraw/zinc/53/92/04/532539204.db2.gz ISAJYKZIGACKPT-PSASIEDQSA-N 1 2 399.822 2.199 20 0 GEADLO CCN1CCN([C@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000471114538 532541504 /nfs/dbraw/zinc/54/15/04/532541504.db2.gz VPGDDNKTBPHXGI-GJZGRUSLSA-N 1 2 392.301 2.077 20 0 GEADLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cs1 ZINC000631085532 532541731 /nfs/dbraw/zinc/54/17/31/532541731.db2.gz HGLUAPYCNAEBSE-VIFPVBQESA-N 1 2 375.903 2.441 20 0 GEADLO CCN1CCN([C@@H](C(N)=O)c2cccc(Br)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000471083852 532541918 /nfs/dbraw/zinc/54/19/18/532541918.db2.gz YEZWROIYRHRHIR-LSDHHAIUSA-N 1 2 392.301 2.077 20 0 GEADLO COc1ccc(Br)cc1C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631065577 532542008 /nfs/dbraw/zinc/54/20/08/532542008.db2.gz XMWVESVOOXZLES-LBPRGKRZSA-N 1 2 381.274 2.376 20 0 GEADLO Cc1nc(N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)nc(N)[nH+]1 ZINC000631087737 532543205 /nfs/dbraw/zinc/54/32/05/532543205.db2.gz DOGWOYVHXZTBRQ-UHFFFAOYSA-N 1 2 391.273 2.380 20 0 GEADLO Cc1nc(N)nc(N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)[nH+]1 ZINC000631087737 532543208 /nfs/dbraw/zinc/54/32/08/532543208.db2.gz DOGWOYVHXZTBRQ-UHFFFAOYSA-N 1 2 391.273 2.380 20 0 GEADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000245559312 532521856 /nfs/dbraw/zinc/52/18/56/532521856.db2.gz BMSGWUHOJQQXOU-HIFRSBDPSA-N 1 2 381.274 2.154 20 0 GEADLO Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000245559312 532521862 /nfs/dbraw/zinc/52/18/62/532521862.db2.gz BMSGWUHOJQQXOU-HIFRSBDPSA-N 1 2 381.274 2.154 20 0 GEADLO O=C1C[N@H+](Cc2cccc(NCc3ccncc3Br)c2)CCN1 ZINC000631140835 532544940 /nfs/dbraw/zinc/54/49/40/532544940.db2.gz UOOXPNKGOMVQDL-UHFFFAOYSA-N 1 2 375.270 2.388 20 0 GEADLO O=C(NCCc1ccc(Br)s1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522318918 532522840 /nfs/dbraw/zinc/52/28/40/532522840.db2.gz CWEDHFGLCTXCPO-UHFFFAOYSA-N 1 2 378.255 2.459 20 0 GEADLO O=C1C[N@@H+](Cc2cccc(NCc3ccncc3Br)c2)CCN1 ZINC000631140835 532544946 /nfs/dbraw/zinc/54/49/46/532544946.db2.gz UOOXPNKGOMVQDL-UHFFFAOYSA-N 1 2 375.270 2.388 20 0 GEADLO C[C@@H](Cc1ccccc1Br)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000470180426 532523588 /nfs/dbraw/zinc/52/35/88/532523588.db2.gz NAXFTNNEKQEPPX-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](Cc1ccccc1Br)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000470180426 532523592 /nfs/dbraw/zinc/52/35/92/532523592.db2.gz NAXFTNNEKQEPPX-KBPBESRZSA-N 1 2 384.318 2.400 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000245902228 532524612 /nfs/dbraw/zinc/52/46/12/532524612.db2.gz LDAMSDPHAGBQKF-GDBMZVCRSA-N 1 2 394.313 2.214 20 0 GEADLO NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000245902228 532524626 /nfs/dbraw/zinc/52/46/26/532524626.db2.gz LDAMSDPHAGBQKF-GDBMZVCRSA-N 1 2 394.313 2.214 20 0 GEADLO COC(=O)[C@@H](NCc1c[nH+]c2c(C)cc(Br)cn12)c1ccn(C)n1 ZINC000470244694 532524841 /nfs/dbraw/zinc/52/48/41/532524841.db2.gz CHDZISCKSGIMCX-AWEZNQCLSA-N 1 2 392.257 2.143 20 0 GEADLO NS(=O)(=O)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cs1 ZINC000523858490 532526755 /nfs/dbraw/zinc/52/67/55/532526755.db2.gz NEEGYURNYZKPHM-UHFFFAOYSA-N 1 2 382.854 2.487 20 0 GEADLO O=C(C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1)NC(=O)NCC(F)(F)F ZINC000375004873 532527364 /nfs/dbraw/zinc/52/73/64/532527364.db2.gz OPYLXTWKBHYRCC-UHFFFAOYSA-N 1 2 376.766 2.212 20 0 GEADLO O=C(C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1)NC(=O)NCC(F)(F)F ZINC000375004873 532527368 /nfs/dbraw/zinc/52/73/68/532527368.db2.gz OPYLXTWKBHYRCC-UHFFFAOYSA-N 1 2 376.766 2.212 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)CCO1 ZINC000470431074 532527720 /nfs/dbraw/zinc/52/77/20/532527720.db2.gz VNPZCZVROWOFJR-UKRRQHHQSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)CCO1 ZINC000470431074 532527726 /nfs/dbraw/zinc/52/77/26/532527726.db2.gz VNPZCZVROWOFJR-UKRRQHHQSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)c2ccccc2I)CCO1 ZINC000470454487 532528333 /nfs/dbraw/zinc/52/83/33/532528333.db2.gz ZTVDOXGWANXJLV-LBPRGKRZSA-N 1 2 388.249 2.132 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccccc2I)CCO1 ZINC000470454487 532528336 /nfs/dbraw/zinc/52/83/36/532528336.db2.gz ZTVDOXGWANXJLV-LBPRGKRZSA-N 1 2 388.249 2.132 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1c(F)cncc1Br ZINC000630701911 532528635 /nfs/dbraw/zinc/52/86/35/532528635.db2.gz CPJMJYXMNNXSJB-UHFFFAOYSA-N 1 2 395.232 2.145 20 0 GEADLO Cc1c([C@@H](C)[NH2+][C@H]2CCCNC2=O)nnn1-c1cccc(Br)c1 ZINC000296560340 532528692 /nfs/dbraw/zinc/52/86/92/532528692.db2.gz SFQDALDRSZYQIT-YGRLFVJLSA-N 1 2 378.274 2.267 20 0 GEADLO C[N@@H+]1CCO[C@H](C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)C1 ZINC000470475252 532530184 /nfs/dbraw/zinc/53/01/84/532530184.db2.gz HSPJMDWOPUNUAN-KRWDZBQOSA-N 1 2 397.313 2.287 20 0 GEADLO C[N@H+]1CCO[C@H](C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)C1 ZINC000470475252 532530200 /nfs/dbraw/zinc/53/02/00/532530200.db2.gz HSPJMDWOPUNUAN-KRWDZBQOSA-N 1 2 397.313 2.287 20 0 GEADLO O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000564740296 532530945 /nfs/dbraw/zinc/53/09/45/532530945.db2.gz LBLUODMWGIRDTL-LBPRGKRZSA-N 1 2 394.871 2.494 20 0 GEADLO CCCC[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246212373 532533238 /nfs/dbraw/zinc/53/32/38/532533238.db2.gz BGMVZFZCOFGRDZ-KGLIPLIRSA-N 1 2 384.464 2.077 20 0 GEADLO CCCC[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246212373 532533242 /nfs/dbraw/zinc/53/32/42/532533242.db2.gz BGMVZFZCOFGRDZ-KGLIPLIRSA-N 1 2 384.464 2.077 20 0 GEADLO CC(C)[C@H](CNC(=O)c1cccc(Br)c1O)[NH+]1CCN(C)CC1 ZINC000525773501 532534566 /nfs/dbraw/zinc/53/45/66/532534566.db2.gz MFUDBUCLHITTPO-HNNXBMFYSA-N 1 2 384.318 2.157 20 0 GEADLO CC(C)[C@H](CNC(=O)c1cccc(Br)c1O)N1CC[NH+](C)CC1 ZINC000525773501 532534571 /nfs/dbraw/zinc/53/45/71/532534571.db2.gz MFUDBUCLHITTPO-HNNXBMFYSA-N 1 2 384.318 2.157 20 0 GEADLO Cc1cc(N2CC(S(C)(=O)=O)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631261892 532550566 /nfs/dbraw/zinc/55/05/66/532550566.db2.gz LVPNLKLCNCOHRE-UHFFFAOYSA-N 1 2 382.283 2.448 20 0 GEADLO C[C@@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1ncc(Br)cn1 ZINC000432995630 532551461 /nfs/dbraw/zinc/55/14/61/532551461.db2.gz RCLIUUCUBAOURD-LLVKDONJSA-N 1 2 381.249 2.388 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nncn2CCc2cccs2)CC1 ZINC000249680118 532569690 /nfs/dbraw/zinc/56/96/90/532569690.db2.gz AHVPUNUJGJJUTD-AWEZNQCLSA-N 1 2 379.555 2.227 20 0 GEADLO C[C@]1(Br)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000527714694 532552825 /nfs/dbraw/zinc/55/28/25/532552825.db2.gz ZYOPSUWQLXYWFK-KDOFPFPSSA-N 1 2 395.297 2.276 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000375371827 532552829 /nfs/dbraw/zinc/55/28/29/532552829.db2.gz XBFZNADHZMCKLA-SNVBAGLBSA-N 1 2 388.262 2.500 20 0 GEADLO COC(=O)CCN1CC[C@H]([N@H+](C)Cc2cc(Br)ccc2F)C1=O ZINC000595297592 532553901 /nfs/dbraw/zinc/55/39/01/532553901.db2.gz XGVJXYXWCNECFP-AWEZNQCLSA-N 1 2 387.249 2.184 20 0 GEADLO COC(=O)CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)ccc2F)C1=O ZINC000595297592 532553907 /nfs/dbraw/zinc/55/39/07/532553907.db2.gz XGVJXYXWCNECFP-AWEZNQCLSA-N 1 2 387.249 2.184 20 0 GEADLO COc1c(Br)cccc1C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000375392967 532554175 /nfs/dbraw/zinc/55/41/75/532554175.db2.gz MJRRRMKVSAGAQH-CYBMUJFWSA-N 1 2 391.331 2.360 20 0 GEADLO COc1c(Br)cccc1C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000375392967 532554187 /nfs/dbraw/zinc/55/41/87/532554187.db2.gz MJRRRMKVSAGAQH-CYBMUJFWSA-N 1 2 391.331 2.360 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000631682645 532555502 /nfs/dbraw/zinc/55/55/02/532555502.db2.gz MKTNWAPLQLBKJW-DYVFJYSZSA-N 1 2 398.575 2.418 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000631682645 532555510 /nfs/dbraw/zinc/55/55/10/532555510.db2.gz MKTNWAPLQLBKJW-DYVFJYSZSA-N 1 2 398.575 2.418 20 0 GEADLO Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC000654252221 532555757 /nfs/dbraw/zinc/55/57/57/532555757.db2.gz VNTFJQZAQDKGDA-CYBMUJFWSA-N 1 2 380.286 2.001 20 0 GEADLO CCN1CCN(C(=O)COc2cccc(Br)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433109245 532555807 /nfs/dbraw/zinc/55/58/07/532555807.db2.gz DCGBBPLOQJTARU-HNNXBMFYSA-N 1 2 393.285 2.456 20 0 GEADLO O=C(CS(=O)(=O)Cc1ccc(Cl)s1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654306033 532556709 /nfs/dbraw/zinc/55/67/09/532556709.db2.gz ZJNOXRRTQLQMLU-KBPBESRZSA-N 1 2 390.958 2.449 20 0 GEADLO O=C(CS(=O)(=O)Cc1ccc(Cl)s1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654306033 532556717 /nfs/dbraw/zinc/55/67/17/532556717.db2.gz ZJNOXRRTQLQMLU-KBPBESRZSA-N 1 2 390.958 2.449 20 0 GEADLO Cc1csc([C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C(F)(F)F)n1 ZINC000296956711 532556819 /nfs/dbraw/zinc/55/68/19/532556819.db2.gz JYWFTDHZFRBAKP-SRVKXCTJSA-N 1 2 378.420 2.169 20 0 GEADLO Cc1csc([C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C(F)(F)F)n1 ZINC000296956711 532556827 /nfs/dbraw/zinc/55/68/27/532556827.db2.gz JYWFTDHZFRBAKP-SRVKXCTJSA-N 1 2 378.420 2.169 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)C(=O)CCn2cc[nH+]c2)c1 ZINC000297003483 532559648 /nfs/dbraw/zinc/55/96/48/532559648.db2.gz RTOUUCBULHXGDR-OAHLLOKOSA-N 1 2 382.258 2.236 20 0 GEADLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCCSC(F)(F)F ZINC000283856684 532562318 /nfs/dbraw/zinc/56/23/18/532562318.db2.gz BJKWNFYYWNCWGQ-NSHDSACASA-N 1 2 378.420 2.326 20 0 GEADLO O=C(CCCn1cc[nH+]c1)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000654483995 532563466 /nfs/dbraw/zinc/56/34/66/532563466.db2.gz IPZFCMNAPWSAAE-UHFFFAOYSA-N 1 2 394.273 2.296 20 0 GEADLO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000595428470 532564234 /nfs/dbraw/zinc/56/42/34/532564234.db2.gz DFIMWFANROXSHU-AWEZNQCLSA-N 1 2 382.258 2.481 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNc1ccc(CO)c[nH+]1 ZINC000297065751 532564193 /nfs/dbraw/zinc/56/41/93/532564193.db2.gz ZHUVMINMOHCPIK-LLVKDONJSA-N 1 2 394.269 2.462 20 0 GEADLO Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000565476287 532565364 /nfs/dbraw/zinc/56/53/64/532565364.db2.gz YKNBIFXIZRYUJI-OAHLLOKOSA-N 1 2 376.507 2.279 20 0 GEADLO O=S(=O)(C1CC[NH+](Cc2cccnc2C(F)(F)F)CC1)N1CCCC1 ZINC000528491141 532567473 /nfs/dbraw/zinc/56/74/73/532567473.db2.gz PRRNLSTYLMLAID-UHFFFAOYSA-N 1 2 377.432 2.490 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+]([C@@H](C)C(=O)NCc2cccs2)C1 ZINC000595630219 532568252 /nfs/dbraw/zinc/56/82/52/532568252.db2.gz TWRWJXQBUNGUQX-TUAOUCFPSA-N 1 2 378.416 2.426 20 0 GEADLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+]([C@@H](C)C(=O)NCc2cccs2)C1 ZINC000595630219 532568255 /nfs/dbraw/zinc/56/82/55/532568255.db2.gz TWRWJXQBUNGUQX-TUAOUCFPSA-N 1 2 378.416 2.426 20 0 GEADLO NS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2[nH+]cc3ccccn32)c1 ZINC000471214767 532546021 /nfs/dbraw/zinc/54/60/21/532546021.db2.gz DMDWLISESDRDMA-UHFFFAOYSA-N 1 2 396.881 2.366 20 0 GEADLO CC(C)NS(=O)(=O)c1cccnc1NCc1[nH+]ccn1CC(F)(F)F ZINC000432862535 532546839 /nfs/dbraw/zinc/54/68/39/532546839.db2.gz ZIFKVMKZCKCPTR-UHFFFAOYSA-N 1 2 377.392 2.139 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000527271708 532547563 /nfs/dbraw/zinc/54/75/63/532547563.db2.gz APMMTYOJERHCGZ-CQSZACIVSA-N 1 2 380.286 2.083 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000527271707 532547797 /nfs/dbraw/zinc/54/77/97/532547797.db2.gz APMMTYOJERHCGZ-AWEZNQCLSA-N 1 2 380.286 2.083 20 0 GEADLO Cc1cc(N2CC[C@@H](NC(N)=O)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631184102 532548265 /nfs/dbraw/zinc/54/82/65/532548265.db2.gz ILZTWWKILUPKHM-CYBMUJFWSA-N 1 2 376.258 2.462 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCn2ncnc2C1 ZINC000473066508 532584134 /nfs/dbraw/zinc/58/41/34/532584134.db2.gz UIJSQICTWNIHTP-UHFFFAOYSA-N 1 2 381.274 2.472 20 0 GEADLO CCOCCOc1ccc(Br)cc1C[N@H+]1CCn2ncnc2C1 ZINC000473066508 532584143 /nfs/dbraw/zinc/58/41/43/532584143.db2.gz UIJSQICTWNIHTP-UHFFFAOYSA-N 1 2 381.274 2.472 20 0 GEADLO Cc1cnc([C@@H](C)NC(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)s1 ZINC000565906173 532584458 /nfs/dbraw/zinc/58/44/58/532584458.db2.gz RIZKEMXDHHJYRX-SNVBAGLBSA-N 1 2 377.857 2.246 20 0 GEADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2sc3ncccc3c2Cl)CC1 ZINC000528834742 532584803 /nfs/dbraw/zinc/58/48/03/532584803.db2.gz VFWNVLMJFCGZER-UHFFFAOYSA-N 1 2 380.901 2.186 20 0 GEADLO CC(C)(C(=O)NC[C@H]1C[NH+]2CCN1CC2)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000528881835 532585276 /nfs/dbraw/zinc/58/52/76/532585276.db2.gz ZQQHCCXWXUWFQQ-JKSUJKDBSA-N 1 2 386.323 2.169 20 0 GEADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000297370476 532585712 /nfs/dbraw/zinc/58/57/12/532585712.db2.gz UAKRMCFEBPNFPF-UHFFFAOYSA-N 1 2 378.234 2.242 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000297392387 532586550 /nfs/dbraw/zinc/58/65/50/532586550.db2.gz WNKZYHWAWZCDST-CJNGLKHVSA-N 1 2 387.571 2.134 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000376117233 532595699 /nfs/dbraw/zinc/59/56/99/532595699.db2.gz RWPZPBVWBWKGTR-LBPRGKRZSA-N 1 2 381.885 2.497 20 0 GEADLO Cc1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCOCC3)c2)ccc1Cl ZINC000655471279 532589498 /nfs/dbraw/zinc/58/94/98/532589498.db2.gz BQHQLPVAJMWYEC-UHFFFAOYSA-N 1 2 381.885 2.359 20 0 GEADLO Cc1cc(CNC(=O)NCc2c[nH+]cn2C)ccc1I ZINC000566042759 532590185 /nfs/dbraw/zinc/59/01/85/532590185.db2.gz ZZSVEBXSJIUXDF-UHFFFAOYSA-N 1 2 384.221 2.333 20 0 GEADLO COCC[N@@H+](Cc1sccc1Br)C[C@@H]1CCS(=O)(=O)C1 ZINC000434503432 532594832 /nfs/dbraw/zinc/59/48/32/532594832.db2.gz OZKDUFRPKRRTOC-NSHDSACASA-N 1 2 382.345 2.394 20 0 GEADLO COCC[N@H+](Cc1sccc1Br)C[C@@H]1CCS(=O)(=O)C1 ZINC000434503432 532594837 /nfs/dbraw/zinc/59/48/37/532594837.db2.gz OZKDUFRPKRRTOC-NSHDSACASA-N 1 2 382.345 2.394 20 0 GEADLO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc(S(C)(=O)=O)cs2)cc1 ZINC000284474715 532595082 /nfs/dbraw/zinc/59/50/82/532595082.db2.gz UMMOUVLJQCDBFR-HNNXBMFYSA-N 1 2 382.507 2.193 20 0 GEADLO CO[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1Br ZINC000654838488 532571595 /nfs/dbraw/zinc/57/15/95/532571595.db2.gz REZZZDMRCLIKTE-WMLDXEAASA-N 1 2 397.313 2.460 20 0 GEADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)CCC(C)(F)F ZINC000631997763 532572008 /nfs/dbraw/zinc/57/20/08/532572008.db2.gz IBODPVKIUGWDFJ-UHFFFAOYSA-N 1 2 375.485 2.116 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000375647639 532571908 /nfs/dbraw/zinc/57/19/08/532571908.db2.gz RBGRAVWBKRRYFQ-UHFFFAOYSA-N 1 2 388.225 2.369 20 0 GEADLO COC(=O)c1cccc(Br)c1C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595824098 532574663 /nfs/dbraw/zinc/57/46/63/532574663.db2.gz ZZXGKPJBEWXHBL-GFCCVEGCSA-N 1 2 398.301 2.423 20 0 GEADLO COC(=O)c1cccc(Br)c1C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595824098 532574670 /nfs/dbraw/zinc/57/46/70/532574670.db2.gz ZZXGKPJBEWXHBL-GFCCVEGCSA-N 1 2 398.301 2.423 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCCc1cccc(Br)c1 ZINC000595815382 532574769 /nfs/dbraw/zinc/57/47/69/532574769.db2.gz JOJIDHJWAHREGZ-AWEZNQCLSA-N 1 2 384.318 2.402 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCCc1cccc(Br)c1 ZINC000595815382 532574777 /nfs/dbraw/zinc/57/47/77/532574777.db2.gz JOJIDHJWAHREGZ-AWEZNQCLSA-N 1 2 384.318 2.402 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)o1 ZINC000261669350 532575623 /nfs/dbraw/zinc/57/56/23/532575623.db2.gz IWIMJMDOCAXMLY-ZDUSSCGKSA-N 1 2 384.841 2.055 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000297234073 532575805 /nfs/dbraw/zinc/57/58/05/532575805.db2.gz OVTLEEVZNJLZPO-AWEZNQCLSA-N 1 2 378.885 2.388 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000284121616 532576838 /nfs/dbraw/zinc/57/68/38/532576838.db2.gz NQGCDOMVLONDMU-OAHLLOKOSA-N 1 2 384.929 2.313 20 0 GEADLO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000284121616 532576842 /nfs/dbraw/zinc/57/68/42/532576842.db2.gz NQGCDOMVLONDMU-OAHLLOKOSA-N 1 2 384.929 2.313 20 0 GEADLO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2csc(S(C)(=O)=O)c2)cc1 ZINC000284137586 532578028 /nfs/dbraw/zinc/57/80/28/532578028.db2.gz DCQQCOWXKJNJDN-HNNXBMFYSA-N 1 2 382.507 2.193 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000284173891 532579343 /nfs/dbraw/zinc/57/93/43/532579343.db2.gz ABAXEYRBFQBUGP-HNNXBMFYSA-N 1 2 382.917 2.085 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000284173891 532579349 /nfs/dbraw/zinc/57/93/49/532579349.db2.gz ABAXEYRBFQBUGP-HNNXBMFYSA-N 1 2 382.917 2.085 20 0 GEADLO O=S(=O)(CCC(F)(F)F)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000284174693 532580275 /nfs/dbraw/zinc/58/02/75/532580275.db2.gz GIIIQQDXVORDAS-AWEZNQCLSA-N 1 2 382.473 2.476 20 0 GEADLO O=S(=O)(CCC(F)(F)F)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000284174693 532580281 /nfs/dbraw/zinc/58/02/81/532580281.db2.gz GIIIQQDXVORDAS-AWEZNQCLSA-N 1 2 382.473 2.476 20 0 GEADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000261985374 532581491 /nfs/dbraw/zinc/58/14/91/532581491.db2.gz JTFQZTYJPIZQLH-CYBMUJFWSA-N 1 2 375.281 2.062 20 0 GEADLO O=C(NC[C@H](O)[C@@H]1CCCO1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000529774587 532613854 /nfs/dbraw/zinc/61/38/54/532613854.db2.gz XWGYODQOSOLCOB-ULQDDVLXSA-N 1 2 397.313 2.242 20 0 GEADLO COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000632500806 532615091 /nfs/dbraw/zinc/61/50/91/532615091.db2.gz DHFSMXNVOVCMOT-JKSUJKDBSA-N 1 2 388.917 2.126 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)c2ccc(F)cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000632501173 532615251 /nfs/dbraw/zinc/61/52/51/532615251.db2.gz JWHYFFMPVWURHH-HUUCEWRRSA-N 1 2 376.881 2.257 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263098495 532615309 /nfs/dbraw/zinc/61/53/09/532615309.db2.gz ZDTUJBVIFUYUBN-LBPRGKRZSA-N 1 2 390.228 2.200 20 0 GEADLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1c(F)cccc1Cl ZINC000632501269 532616061 /nfs/dbraw/zinc/61/60/61/532616061.db2.gz LPPSIVCVCHIBIL-UONOGXRCSA-N 1 2 376.881 2.257 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N(C)Cc2nccs2)CC1 ZINC000297998684 532617274 /nfs/dbraw/zinc/61/72/74/532617274.db2.gz RRSXXPBUMBMBKX-CYBMUJFWSA-N 1 2 378.523 2.068 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000298029454 532618805 /nfs/dbraw/zinc/61/88/05/532618805.db2.gz GNHQZZZYXCONDY-ZDUSSCGKSA-N 1 2 395.301 2.316 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cn2ccc(Br)cc2n1 ZINC000376220565 532602514 /nfs/dbraw/zinc/60/25/14/532602514.db2.gz RFRQGUDKTZDCPB-GXTWGEPZSA-N 1 2 393.285 2.032 20 0 GEADLO Cc1nc(Cl)c(Cl)cc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000376257169 532604743 /nfs/dbraw/zinc/60/47/43/532604743.db2.gz XHTCQQUERRLHPK-KRWDZBQOSA-N 1 2 388.295 2.308 20 0 GEADLO CC(C)(C)n1nnc(C[NH2+]CCC(=O)Nc2cccc(Br)c2)n1 ZINC000656155509 532605600 /nfs/dbraw/zinc/60/56/00/532605600.db2.gz XRLJEOJQGPXGPO-UHFFFAOYSA-N 1 2 381.278 2.309 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2cc(Br)ccn2)CCN1C ZINC000284607323 532605827 /nfs/dbraw/zinc/60/58/27/532605827.db2.gz AUZWBXVAEATWQG-LBPRGKRZSA-N 1 2 379.262 2.098 20 0 GEADLO O=C(NCCCO)C1CC[NH+](Cc2ncc(Cl)cc2Br)CC1 ZINC000529523530 532607086 /nfs/dbraw/zinc/60/70/86/532607086.db2.gz UDXRKFZJVWMXBR-UHFFFAOYSA-N 1 2 390.709 2.208 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)c1cc(I)c(F)cc1F ZINC000435004760 532607934 /nfs/dbraw/zinc/60/79/34/532607934.db2.gz UYGKGHZFMDAULP-UHFFFAOYSA-N 1 2 377.132 2.233 20 0 GEADLO CCOCC[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2C)CC1 ZINC000474136473 532608083 /nfs/dbraw/zinc/60/80/83/532608083.db2.gz NKEWJEIWVASGNW-UHFFFAOYSA-N 1 2 391.331 2.100 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2ncc(Cl)cc2Br)CC1 ZINC000529566105 532608666 /nfs/dbraw/zinc/60/86/66/532608666.db2.gz OGUKUBBUHZCOQD-UHFFFAOYSA-N 1 2 396.738 2.259 20 0 GEADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000632394281 532609286 /nfs/dbraw/zinc/60/92/86/532609286.db2.gz MQSVJHDTEAEADF-XJKSGUPXSA-N 1 2 376.881 2.180 20 0 GEADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000632394281 532609291 /nfs/dbraw/zinc/60/92/91/532609291.db2.gz MQSVJHDTEAEADF-XJKSGUPXSA-N 1 2 376.881 2.180 20 0 GEADLO CSC[C@H](C)NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000284657288 532609657 /nfs/dbraw/zinc/60/96/57/532609657.db2.gz KKROUWLAWDZBLE-SMDDNHRTSA-N 1 2 380.901 2.147 20 0 GEADLO O=C1CN(S(=O)(=O)c2cc(F)ccc2Br)c2cc[nH+]cc2N1 ZINC000435221972 532610793 /nfs/dbraw/zinc/61/07/93/532610793.db2.gz FQSPEFKWYPAHDQ-UHFFFAOYSA-N 1 2 386.202 2.131 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC1 ZINC000632543111 532624046 /nfs/dbraw/zinc/62/40/46/532624046.db2.gz RUCFFFWZMJQVBT-NSHDSACASA-N 1 2 389.905 2.079 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC1 ZINC000632543111 532624054 /nfs/dbraw/zinc/62/40/54/532624054.db2.gz RUCFFFWZMJQVBT-NSHDSACASA-N 1 2 389.905 2.079 20 0 GEADLO COCCO[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000436039575 532624423 /nfs/dbraw/zinc/62/44/23/532624423.db2.gz ZEPKRWVOSGSCDV-CQSZACIVSA-N 1 2 397.273 2.044 20 0 GEADLO O=C(C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccc(Br)cc1 ZINC000284837002 532625332 /nfs/dbraw/zinc/62/53/32/532625332.db2.gz PHCNTSHTZNZTHN-BZUAXINKSA-N 1 2 383.286 2.249 20 0 GEADLO O=C(C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccc(Br)cc1 ZINC000284837002 532625336 /nfs/dbraw/zinc/62/53/36/532625336.db2.gz PHCNTSHTZNZTHN-BZUAXINKSA-N 1 2 383.286 2.249 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000376725440 532626502 /nfs/dbraw/zinc/62/65/02/532626502.db2.gz BPCHHFFVXZGEMK-SECBINFHSA-N 1 2 380.297 2.073 20 0 GEADLO Cn1cc(C[NH+]2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)cn1 ZINC000436115103 532627291 /nfs/dbraw/zinc/62/72/91/532627291.db2.gz NCJAQOQNOGUMLQ-UHFFFAOYSA-N 1 2 382.295 2.483 20 0 GEADLO Brc1ccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)s1 ZINC000298165189 532631177 /nfs/dbraw/zinc/63/11/77/532631177.db2.gz VTDJXSHUUISSRX-UHFFFAOYSA-N 1 2 379.287 2.271 20 0 GEADLO Cc1c[nH+]ccc1NC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000376819463 532631569 /nfs/dbraw/zinc/63/15/69/532631569.db2.gz RVZGURKNPXGTFH-HNNXBMFYSA-N 1 2 389.253 2.279 20 0 GEADLO CCO[C@H]1C[C@H]1NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000566950970 532632367 /nfs/dbraw/zinc/63/23/67/532632367.db2.gz DIKZFJYYDZZHKM-KGLIPLIRSA-N 1 2 381.274 2.424 20 0 GEADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000298204671 532633897 /nfs/dbraw/zinc/63/38/97/532633897.db2.gz YKZZAGJLDNZDRH-CQSZACIVSA-N 1 2 382.555 2.437 20 0 GEADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000298204671 532633899 /nfs/dbraw/zinc/63/38/99/532633899.db2.gz YKZZAGJLDNZDRH-CQSZACIVSA-N 1 2 382.555 2.437 20 0 GEADLO O=S(=O)(NCc1cc[nH+]c(N2CCCC2)c1)c1ncccc1Br ZINC000656869509 532634143 /nfs/dbraw/zinc/63/41/43/532634143.db2.gz STBWLKHRTLVILR-UHFFFAOYSA-N 1 2 397.298 2.318 20 0 GEADLO O=C1N=NCN1C1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000567011866 532635843 /nfs/dbraw/zinc/63/58/43/532635843.db2.gz GXNQSPDTRYSTKD-UHFFFAOYSA-N 1 2 395.217 2.226 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000531831831 532636766 /nfs/dbraw/zinc/63/67/66/532636766.db2.gz VFYAJTAYPOZLAR-UHFFFAOYSA-N 1 2 386.271 2.243 20 0 GEADLO CS[C@H]1CCC[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000284991234 532637918 /nfs/dbraw/zinc/63/79/18/532637918.db2.gz LNFOJLONBFTBBD-GJZGRUSLSA-N 1 2 381.567 2.013 20 0 GEADLO CS[C@H]1CCC[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000284991234 532637923 /nfs/dbraw/zinc/63/79/23/532637923.db2.gz LNFOJLONBFTBBD-GJZGRUSLSA-N 1 2 381.567 2.013 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000285013672 532639775 /nfs/dbraw/zinc/63/97/75/532639775.db2.gz HAHLVZBTLSNQNL-UHFFFAOYSA-N 1 2 380.539 2.387 20 0 GEADLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)Nc2cc(Br)ccn2)C1 ZINC000285038817 532641709 /nfs/dbraw/zinc/64/17/09/532641709.db2.gz IOUPGXZZEJPXTO-CYBMUJFWSA-N 1 2 391.273 2.372 20 0 GEADLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)Nc2cc(Br)ccn2)C1 ZINC000285038817 532641714 /nfs/dbraw/zinc/64/17/14/532641714.db2.gz IOUPGXZZEJPXTO-CYBMUJFWSA-N 1 2 391.273 2.372 20 0 GEADLO Cn1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)nn1 ZINC000475624425 532642208 /nfs/dbraw/zinc/64/22/08/532642208.db2.gz LZEHSMGYXJKJNL-GFCCVEGCSA-N 1 2 379.180 2.420 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000476428142 532644371 /nfs/dbraw/zinc/64/43/71/532644371.db2.gz NQFMCWYAKMUQSZ-LBPRGKRZSA-N 1 2 381.933 2.168 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000530483656 532622333 /nfs/dbraw/zinc/62/23/33/532622333.db2.gz XTVIWYGCLBYPRZ-UHFFFAOYSA-N 1 2 393.278 2.137 20 0 GEADLO COc1cc(Br)c(F)cc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000530483656 532622335 /nfs/dbraw/zinc/62/23/35/532622335.db2.gz XTVIWYGCLBYPRZ-UHFFFAOYSA-N 1 2 393.278 2.137 20 0 GEADLO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1nnc(S(C)(=O)=O)s1 ZINC000285226508 532659878 /nfs/dbraw/zinc/65/98/78/532659878.db2.gz XVAFZBJXBRKDAF-CQSZACIVSA-N 1 2 390.918 2.327 20 0 GEADLO C[C@@H](O)CNc1cc(N(C)C[C@@H](O)c2cccc(Br)c2)nc[nH+]1 ZINC000298565141 532661417 /nfs/dbraw/zinc/66/14/17/532661417.db2.gz JWVUMPUURZKOQO-BXUZGUMPSA-N 1 2 381.274 2.202 20 0 GEADLO C[C@@H](O)CNc1cc(N(C)C[C@@H](O)c2cccc(Br)c2)[nH+]cn1 ZINC000298565141 532661418 /nfs/dbraw/zinc/66/14/18/532661418.db2.gz JWVUMPUURZKOQO-BXUZGUMPSA-N 1 2 381.274 2.202 20 0 GEADLO COc1ccc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1F ZINC000264143066 532662350 /nfs/dbraw/zinc/66/23/50/532662350.db2.gz YWOQAOVPPHELQH-UHFFFAOYSA-N 1 2 381.351 2.414 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000285242435 532662684 /nfs/dbraw/zinc/66/26/84/532662684.db2.gz WGBUSUWENIMIID-CQSZACIVSA-N 1 2 379.873 2.183 20 0 GEADLO Cn1nc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(Br)cc2)nc1N ZINC000298629524 532664577 /nfs/dbraw/zinc/66/45/77/532664577.db2.gz VRRICUDWGHHQNU-CYBMUJFWSA-N 1 2 393.289 2.326 20 0 GEADLO Cn1nc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(Br)cc2)nc1N ZINC000298629524 532664582 /nfs/dbraw/zinc/66/45/82/532664582.db2.gz VRRICUDWGHHQNU-CYBMUJFWSA-N 1 2 393.289 2.326 20 0 GEADLO Cn1ncc(Br)c1CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000633347608 532665533 /nfs/dbraw/zinc/66/55/33/532665533.db2.gz PJKRHSVURSFXPN-UHFFFAOYSA-N 1 2 393.289 2.177 20 0 GEADLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000599572874 532666887 /nfs/dbraw/zinc/66/68/87/532666887.db2.gz IKWPAIAITVCUDW-CYBMUJFWSA-N 1 2 384.274 2.440 20 0 GEADLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000599572874 532666895 /nfs/dbraw/zinc/66/68/95/532666895.db2.gz IKWPAIAITVCUDW-CYBMUJFWSA-N 1 2 384.274 2.440 20 0 GEADLO C[S@@](=O)C1(CNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCC1 ZINC000438320687 532669447 /nfs/dbraw/zinc/66/94/47/532669447.db2.gz YSJNVGSRHKGFET-RUZDIDTESA-N 1 2 383.945 2.299 20 0 GEADLO C[S@@](=O)C1(CNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCC1 ZINC000438320687 532669451 /nfs/dbraw/zinc/66/94/51/532669451.db2.gz YSJNVGSRHKGFET-RUZDIDTESA-N 1 2 383.945 2.299 20 0 GEADLO C[C@H](NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H](C)[NH+]1CCOCC1 ZINC000264288839 532668391 /nfs/dbraw/zinc/66/83/91/532668391.db2.gz QSWDJACMNYUKKM-RYUDHWBXSA-N 1 2 385.295 2.409 20 0 GEADLO O=C(NC[C@H](CO)Cc1ccc(Br)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000567275628 532647773 /nfs/dbraw/zinc/64/77/73/532647773.db2.gz UVYFKDXFWGHZMG-CABCVRRESA-N 1 2 392.297 2.175 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000632870875 532648637 /nfs/dbraw/zinc/64/86/37/532648637.db2.gz MBPPZVGGBQTRFG-IPALMDDQSA-N 1 2 394.313 2.107 20 0 GEADLO Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1Br ZINC000377780914 532669458 /nfs/dbraw/zinc/66/94/58/532669458.db2.gz OJMGWWUFJHWXNZ-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1Br ZINC000377780914 532669461 /nfs/dbraw/zinc/66/94/61/532669461.db2.gz OJMGWWUFJHWXNZ-UHFFFAOYSA-N 1 2 390.347 2.072 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263934447 532651058 /nfs/dbraw/zinc/65/10/58/532651058.db2.gz OGJGPFFOSDWGIC-SNVBAGLBSA-N 1 2 397.298 2.370 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)Cc2cc(F)ccc2Cl)C[C@H](C)O1 ZINC000656976361 532651709 /nfs/dbraw/zinc/65/17/09/532651709.db2.gz RNCJUNHKZVXQPB-BETUJISGSA-N 1 2 378.897 2.350 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)Cc2cc(F)ccc2Cl)C[C@H](C)O1 ZINC000656976361 532651713 /nfs/dbraw/zinc/65/17/13/532651713.db2.gz RNCJUNHKZVXQPB-BETUJISGSA-N 1 2 378.897 2.350 20 0 GEADLO O=S(=O)(c1ncccc1Br)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000656977118 532652171 /nfs/dbraw/zinc/65/21/71/532652171.db2.gz SPCFBOZTOHYJKF-GFCCVEGCSA-N 1 2 384.255 2.081 20 0 GEADLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(S(=O)(=O)c1ccncc1)CC2 ZINC000656982202 532653138 /nfs/dbraw/zinc/65/31/38/532653138.db2.gz JZBLBIRRIFNAKR-HNNXBMFYSA-N 1 2 378.523 2.213 20 0 GEADLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(S(=O)(=O)c1ccncc1)CC2 ZINC000656982202 532653145 /nfs/dbraw/zinc/65/31/45/532653145.db2.gz JZBLBIRRIFNAKR-HNNXBMFYSA-N 1 2 378.523 2.213 20 0 GEADLO C[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437249749 532654747 /nfs/dbraw/zinc/65/47/47/532654747.db2.gz VTQRNVCTFVXREO-VXGBXAGGSA-N 1 2 381.420 2.055 20 0 GEADLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000567521603 532657424 /nfs/dbraw/zinc/65/74/24/532657424.db2.gz MEUSDAALIKQKPB-UHFFFAOYSA-N 1 2 376.906 2.261 20 0 GEADLO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1nnc(S(C)(=O)=O)s1 ZINC000285187703 532657390 /nfs/dbraw/zinc/65/73/90/532657390.db2.gz VXXGAXHZAGBAPA-HNNXBMFYSA-N 1 2 382.555 2.188 20 0 GEADLO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NCc1nnc(S(C)(=O)=O)s1 ZINC000285187703 532657394 /nfs/dbraw/zinc/65/73/94/532657394.db2.gz VXXGAXHZAGBAPA-HNNXBMFYSA-N 1 2 382.555 2.188 20 0 GEADLO Cc1nc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)sc1Br ZINC000657034730 532658834 /nfs/dbraw/zinc/65/88/34/532658834.db2.gz NQYZYOPKHRMPQH-VIFPVBQESA-N 1 2 382.349 2.365 20 0 GEADLO Cc1nc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)sc1Br ZINC000657034730 532658836 /nfs/dbraw/zinc/65/88/36/532658836.db2.gz NQYZYOPKHRMPQH-VIFPVBQESA-N 1 2 382.349 2.365 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000377470105 532659210 /nfs/dbraw/zinc/65/92/10/532659210.db2.gz SHKNDKXEHDZLHC-UHFFFAOYSA-N 1 2 378.841 2.408 20 0 GEADLO O=c1c2sccc2nc(S[C@H]2CCOC2)n1CCC[NH+]1CCOCC1 ZINC000568602887 532683818 /nfs/dbraw/zinc/68/38/18/532683818.db2.gz PNYSWGXIOKRXQE-ZDUSSCGKSA-N 1 2 381.523 2.061 20 0 GEADLO Cc1nc([C@H]2CCC[N@H+](Cc3cnn4cc(Br)cnc34)C2)n[nH]1 ZINC000638178240 532684066 /nfs/dbraw/zinc/68/40/66/532684066.db2.gz LKRCQHGKAZAXGK-NSHDSACASA-N 1 2 376.262 2.298 20 0 GEADLO Cc1nc([C@@H]2CCC[N@H+](Cc3cnn4cc(Br)cnc34)C2)n[nH]1 ZINC000638178238 532684437 /nfs/dbraw/zinc/68/44/37/532684437.db2.gz LKRCQHGKAZAXGK-LLVKDONJSA-N 1 2 376.262 2.298 20 0 GEADLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cnn4cc(Br)cnc34)[C@@H]2C1 ZINC000638180067 532684508 /nfs/dbraw/zinc/68/45/08/532684508.db2.gz LAPBTUXWOAESAC-RBSFLKMASA-N 1 2 381.274 2.260 20 0 GEADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cnn4cc(Br)cnc34)[C@@H]2C1 ZINC000638180067 532684514 /nfs/dbraw/zinc/68/45/14/532684514.db2.gz LAPBTUXWOAESAC-RBSFLKMASA-N 1 2 381.274 2.260 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000285479173 532684602 /nfs/dbraw/zinc/68/46/02/532684602.db2.gz CNVGTOPEPZIBGL-NSHDSACASA-N 1 2 388.287 2.104 20 0 GEADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000285479173 532684607 /nfs/dbraw/zinc/68/46/07/532684607.db2.gz CNVGTOPEPZIBGL-NSHDSACASA-N 1 2 388.287 2.104 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(=O)c1ccc(Br)c(F)c1 ZINC000633711040 532669885 /nfs/dbraw/zinc/66/98/85/532669885.db2.gz NRZLKHPPIVOEAK-GHMZBOCLSA-N 1 2 380.217 2.424 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298726501 532670906 /nfs/dbraw/zinc/67/09/06/532670906.db2.gz FSJIQOOQCXNGQN-KGLIPLIRSA-N 1 2 387.933 2.237 20 0 GEADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298726501 532670908 /nfs/dbraw/zinc/67/09/08/532670908.db2.gz FSJIQOOQCXNGQN-KGLIPLIRSA-N 1 2 387.933 2.237 20 0 GEADLO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CCS1(=O)=O ZINC000377785317 532670911 /nfs/dbraw/zinc/67/09/11/532670911.db2.gz SSTXMUPSTOFQSK-GFCCVEGCSA-N 1 2 390.958 2.259 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@H]1C ZINC000534289477 532671365 /nfs/dbraw/zinc/67/13/65/532671365.db2.gz NACACGIOVAEEBC-NEPJUHHUSA-N 1 2 385.917 2.328 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C[C@H]1C ZINC000534289477 532671371 /nfs/dbraw/zinc/67/13/71/532671371.db2.gz NACACGIOVAEEBC-NEPJUHHUSA-N 1 2 385.917 2.328 20 0 GEADLO COc1cc(C[N@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)ccc1C ZINC000568113991 532672148 /nfs/dbraw/zinc/67/21/48/532672148.db2.gz FSBUBXSHBRYAPZ-UHFFFAOYSA-N 1 2 376.469 2.495 20 0 GEADLO COc1cc(C[N@@H+](CC(F)F)C2CCN(S(C)(=O)=O)CC2)ccc1C ZINC000568113991 532672152 /nfs/dbraw/zinc/67/21/52/532672152.db2.gz FSBUBXSHBRYAPZ-UHFFFAOYSA-N 1 2 376.469 2.495 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000264441911 532673243 /nfs/dbraw/zinc/67/32/43/532673243.db2.gz OEKFVICGSRUGMY-AWEZNQCLSA-N 1 2 382.346 2.479 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377942908 532674804 /nfs/dbraw/zinc/67/48/04/532674804.db2.gz GHCMLPBEWASADT-LLVKDONJSA-N 1 2 377.242 2.093 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377942908 532674810 /nfs/dbraw/zinc/67/48/10/532674810.db2.gz GHCMLPBEWASADT-LLVKDONJSA-N 1 2 377.242 2.093 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(I)c(Cl)c1 ZINC000600423000 532675053 /nfs/dbraw/zinc/67/50/53/532675053.db2.gz YSUMAEPVDKVFOJ-JTQLQIEISA-N 1 2 394.640 2.005 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(I)c(Cl)c1 ZINC000600423000 532675061 /nfs/dbraw/zinc/67/50/61/532675061.db2.gz YSUMAEPVDKVFOJ-JTQLQIEISA-N 1 2 394.640 2.005 20 0 GEADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CSCc1ccc(Br)cc1F ZINC000600420974 532675484 /nfs/dbraw/zinc/67/54/84/532675484.db2.gz MJXRDSQNQHHHCT-ZDUSSCGKSA-N 1 2 391.306 2.268 20 0 GEADLO C[N@H+]1CCOC[C@@H]1CNC(=O)CSCc1ccc(Br)cc1F ZINC000600420974 532675491 /nfs/dbraw/zinc/67/54/91/532675491.db2.gz MJXRDSQNQHHHCT-ZDUSSCGKSA-N 1 2 391.306 2.268 20 0 GEADLO O=S1(=O)CCCN1C1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000660794471 532676104 /nfs/dbraw/zinc/67/61/04/532676104.db2.gz JCTXJIQNAKDSLD-UHFFFAOYSA-N 1 2 378.416 2.427 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(Br)c1 ZINC000377996967 532676275 /nfs/dbraw/zinc/67/62/75/532676275.db2.gz NPTXOPMCPRKXFY-JTQLQIEISA-N 1 2 377.242 2.093 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(Br)c1 ZINC000377996967 532676278 /nfs/dbraw/zinc/67/62/78/532676278.db2.gz NPTXOPMCPRKXFY-JTQLQIEISA-N 1 2 377.242 2.093 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000378040467 532676959 /nfs/dbraw/zinc/67/69/59/532676959.db2.gz FGNCTMUYPFCWHN-LBPRGKRZSA-N 1 2 378.274 2.110 20 0 GEADLO O=C(N1CC[NH+]([C@H]2CCOC2)CC1)C1(c2cccc(Br)c2)CC1 ZINC000378115934 532680406 /nfs/dbraw/zinc/68/04/06/532680406.db2.gz NGQYXJKJEIKPJU-INIZCTEOSA-N 1 2 379.298 2.414 20 0 GEADLO C[N@H+](Cc1cn(C[C@@H]2CCOC2)nn1)[C@@H](CO)c1cccc(Br)c1 ZINC000638140600 532681729 /nfs/dbraw/zinc/68/17/29/532681729.db2.gz NQBLTJOXQFIEPO-GUYCJALGSA-N 1 2 395.301 2.243 20 0 GEADLO C[N@@H+](Cc1cn(C[C@@H]2CCOC2)nn1)[C@@H](CO)c1cccc(Br)c1 ZINC000638140600 532681735 /nfs/dbraw/zinc/68/17/35/532681735.db2.gz NQBLTJOXQFIEPO-GUYCJALGSA-N 1 2 395.301 2.243 20 0 GEADLO COCCN(C)S(=O)(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000600748027 532682030 /nfs/dbraw/zinc/68/20/30/532682030.db2.gz AHLSSJOKOZHGFI-HNNXBMFYSA-N 1 2 393.912 2.029 20 0 GEADLO O=C(COc1ccc(I)cc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378198266 532683187 /nfs/dbraw/zinc/68/31/87/532683187.db2.gz FKTVLPYUFVWNAJ-LLVKDONJSA-N 1 2 397.216 2.067 20 0 GEADLO O=C(COc1ccc(I)cc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378198266 532683195 /nfs/dbraw/zinc/68/31/95/532683195.db2.gz FKTVLPYUFVWNAJ-LLVKDONJSA-N 1 2 397.216 2.067 20 0 GEADLO Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439434674 532691814 /nfs/dbraw/zinc/69/18/14/532691814.db2.gz FCKZXMQXYQVLNX-DZGCQCFKSA-N 1 2 399.264 2.294 20 0 GEADLO Cn1cnnc1[C@H]1CCC[N@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439434674 532691822 /nfs/dbraw/zinc/69/18/22/532691822.db2.gz FCKZXMQXYQVLNX-DZGCQCFKSA-N 1 2 399.264 2.294 20 0 GEADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000378369721 532692266 /nfs/dbraw/zinc/69/22/66/532692266.db2.gz JQBTVQPCGLHTRH-CYBMUJFWSA-N 1 2 376.931 2.160 20 0 GEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000536597868 532695029 /nfs/dbraw/zinc/69/50/29/532695029.db2.gz HRWLWBYAIDXESA-ZIAGYGMSSA-N 1 2 385.555 2.087 20 0 GEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000536597868 532695031 /nfs/dbraw/zinc/69/50/31/532695031.db2.gz HRWLWBYAIDXESA-ZIAGYGMSSA-N 1 2 385.555 2.087 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc2c(cc1OC(F)F)OCO2 ZINC000536659944 532697666 /nfs/dbraw/zinc/69/76/66/532697666.db2.gz OQQBKLZPRQLXIK-NSHDSACASA-N 1 2 375.393 2.497 20 0 GEADLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc2c(cc1OC(F)F)OCO2 ZINC000536659944 532697671 /nfs/dbraw/zinc/69/76/71/532697671.db2.gz OQQBKLZPRQLXIK-NSHDSACASA-N 1 2 375.393 2.497 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000285682158 532698206 /nfs/dbraw/zinc/69/82/06/532698206.db2.gz RCEILURBNQIIOU-AWEZNQCLSA-N 1 2 387.933 2.190 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000285682158 532698212 /nfs/dbraw/zinc/69/82/12/532698212.db2.gz RCEILURBNQIIOU-AWEZNQCLSA-N 1 2 387.933 2.190 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000569550082 532699403 /nfs/dbraw/zinc/69/94/03/532699403.db2.gz RFMFQIOMTPNZAP-CHWSQXEVSA-N 1 2 378.947 2.259 20 0 GEADLO O=C([C@H]1CCn2c[nH+]cc2C1)N(CCO)Cc1cc(Br)ccc1F ZINC000378283383 532687122 /nfs/dbraw/zinc/68/71/22/532687122.db2.gz COILPRWOMXTNFK-LBPRGKRZSA-N 1 2 396.260 2.368 20 0 GEADLO CSc1ccc(NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)cn1 ZINC000535763222 532687661 /nfs/dbraw/zinc/68/76/61/532687661.db2.gz JWCJDVISQHJFHV-UHFFFAOYSA-N 1 2 379.507 2.391 20 0 GEADLO Cc1cc(NC(=O)N(C)CC(=O)Nc2ccc(Br)cn2)c(C)c[nH+]1 ZINC000535774628 532687964 /nfs/dbraw/zinc/68/79/64/532687964.db2.gz YJWDKAMLMUVNSK-UHFFFAOYSA-N 1 2 392.257 2.380 20 0 GEADLO O=S(=O)(NCC(F)(F)F)NC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000439298811 532688298 /nfs/dbraw/zinc/68/82/98/532688298.db2.gz VWAYCKGCVBOMAS-DAXSKMNVSA-N 1 2 377.432 2.151 20 0 GEADLO Cn1c[nH+]cc1CCN1C(=O)C[C@](C)(c2ccc(Br)cc2)C1=O ZINC000663966269 532689076 /nfs/dbraw/zinc/68/90/76/532689076.db2.gz VKINXJYROYBMCA-QGZVFWFLSA-N 1 2 376.254 2.442 20 0 GEADLO O[C@@H](CNc1nc[nH+]c(NC[C@H](O)C2CCC2)c1Br)C1CCC1 ZINC000663986936 532689163 /nfs/dbraw/zinc/68/91/63/532689163.db2.gz MLJHCLYJSFCXFP-STQMWFEESA-N 1 2 385.306 2.385 20 0 GEADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cnn2cc(Br)cnc12 ZINC000639088256 532689516 /nfs/dbraw/zinc/68/95/16/532689516.db2.gz DZHGFWPRKXNXAY-KGLIPLIRSA-N 1 2 379.258 2.062 20 0 GEADLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cnn2cc(Br)cnc12 ZINC000639088256 532689522 /nfs/dbraw/zinc/68/95/22/532689522.db2.gz DZHGFWPRKXNXAY-KGLIPLIRSA-N 1 2 379.258 2.062 20 0 GEADLO Cc1cc(Br)cc2cc(C(=O)N3CCC[N@H+](CC(N)=O)CC3)oc21 ZINC000378333566 532690612 /nfs/dbraw/zinc/69/06/12/532690612.db2.gz FKSDMGAYDOHVKE-UHFFFAOYSA-N 1 2 394.269 2.137 20 0 GEADLO Cc1cc(Br)cc2cc(C(=O)N3CCC[N@@H+](CC(N)=O)CC3)oc21 ZINC000378333566 532690616 /nfs/dbraw/zinc/69/06/16/532690616.db2.gz FKSDMGAYDOHVKE-UHFFFAOYSA-N 1 2 394.269 2.137 20 0 GEADLO C[N@H+](CCN1CCCS1(=O)=O)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440552674 532718089 /nfs/dbraw/zinc/71/80/89/532718089.db2.gz FYCDVMHZDRJQKO-KRWDZBQOSA-N 1 2 380.901 2.187 20 0 GEADLO C[N@@H+](CCN1CCCS1(=O)=O)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440552674 532718096 /nfs/dbraw/zinc/71/80/96/532718096.db2.gz FYCDVMHZDRJQKO-KRWDZBQOSA-N 1 2 380.901 2.187 20 0 GEADLO O=C(C[N@H+]1CCCN(C(=O)c2nc(Cl)ccc2Cl)CC1)N1CCCC1 ZINC000299234845 532704027 /nfs/dbraw/zinc/70/40/27/532704027.db2.gz GLJZEKAANYZQQO-UHFFFAOYSA-N 1 2 385.295 2.159 20 0 GEADLO O=C(C[N@@H+]1CCCN(C(=O)c2nc(Cl)ccc2Cl)CC1)N1CCCC1 ZINC000299234845 532704036 /nfs/dbraw/zinc/70/40/36/532704036.db2.gz GLJZEKAANYZQQO-UHFFFAOYSA-N 1 2 385.295 2.159 20 0 GEADLO O=S(=O)(c1cc(Cl)sc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266149277 532704602 /nfs/dbraw/zinc/70/46/02/532704602.db2.gz FERBYDIGKYPBSS-SNVBAGLBSA-N 1 2 385.338 2.398 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)c1cc(-n2cc[nH+]c2)ncn1 ZINC000607141693 532704717 /nfs/dbraw/zinc/70/47/17/532704717.db2.gz NIXGCUSMODGIPO-UHFFFAOYSA-N 1 2 387.241 2.500 20 0 GEADLO Cc1nn(C)c(C)c1S(=O)(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000643834797 532706346 /nfs/dbraw/zinc/70/63/46/532706346.db2.gz QJNUJXFHOOMYIM-UHFFFAOYSA-N 1 2 383.543 2.451 20 0 GEADLO Cc1nn(C)c(C)c1S(=O)(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000643834797 532706353 /nfs/dbraw/zinc/70/63/53/532706353.db2.gz QJNUJXFHOOMYIM-UHFFFAOYSA-N 1 2 383.543 2.451 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1)c1ccc(Br)cc1 ZINC000391100377 532706831 /nfs/dbraw/zinc/70/68/31/532706831.db2.gz UUOCDLNAXCEOQW-WFASDCNBSA-N 1 2 385.302 2.098 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1)c1ccc(Br)cc1 ZINC000391100377 532706835 /nfs/dbraw/zinc/70/68/35/532706835.db2.gz UUOCDLNAXCEOQW-WFASDCNBSA-N 1 2 385.302 2.098 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000440324425 532710691 /nfs/dbraw/zinc/71/06/91/532710691.db2.gz JLDBGPJDUMNFOR-INIZCTEOSA-N 1 2 379.551 2.429 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000440324425 532710700 /nfs/dbraw/zinc/71/07/00/532710700.db2.gz JLDBGPJDUMNFOR-INIZCTEOSA-N 1 2 379.551 2.429 20 0 GEADLO CN1CCc2ccc(S(=O)(=O)NCc3cn4cc(Cl)ccc4[nH+]3)cc21 ZINC000440396253 532711488 /nfs/dbraw/zinc/71/14/88/532711488.db2.gz GICLIZRZLQBHOU-UHFFFAOYSA-N 1 2 376.869 2.459 20 0 GEADLO CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000492194543 532712559 /nfs/dbraw/zinc/71/25/59/532712559.db2.gz KNZAROGPDXONAP-AWEZNQCLSA-N 1 2 393.285 2.360 20 0 GEADLO O=C(C[NH+]1CCC(N2CN=NC2=O)CC1)Nc1ccc(Br)cc1 ZINC000574389753 532713215 /nfs/dbraw/zinc/71/32/15/532713215.db2.gz DDIYAWJJHKXAPN-UHFFFAOYSA-N 1 2 380.246 2.022 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCc2ccc(Br)cc21 ZINC000494214463 532713766 /nfs/dbraw/zinc/71/37/66/532713766.db2.gz AQJYGKDOYUOGRO-OAHLLOKOSA-N 1 2 380.286 2.384 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCc2ccc(Br)cc21 ZINC000494214463 532713773 /nfs/dbraw/zinc/71/37/73/532713773.db2.gz AQJYGKDOYUOGRO-OAHLLOKOSA-N 1 2 380.286 2.384 20 0 GEADLO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC000299396880 532714106 /nfs/dbraw/zinc/71/41/06/532714106.db2.gz VGYDKEOBCJNSIY-CYBMUJFWSA-N 1 2 385.555 2.091 20 0 GEADLO O=C(C[N@@H+](CCO)Cc1cc(Br)cs1)Nc1nccs1 ZINC000494280821 532715931 /nfs/dbraw/zinc/71/59/31/532715931.db2.gz ZNNLGRHASGEEOZ-UHFFFAOYSA-N 1 2 376.301 2.400 20 0 GEADLO O=C(C[N@H+](CCO)Cc1cc(Br)cs1)Nc1nccs1 ZINC000494280821 532715938 /nfs/dbraw/zinc/71/59/38/532715938.db2.gz ZNNLGRHASGEEOZ-UHFFFAOYSA-N 1 2 376.301 2.400 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000494310597 532716824 /nfs/dbraw/zinc/71/68/24/532716824.db2.gz KYHLIVHEGPRLFC-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[N@H+]1CCO ZINC000494310597 532716828 /nfs/dbraw/zinc/71/68/28/532716828.db2.gz KYHLIVHEGPRLFC-SNVBAGLBSA-N 1 2 386.823 2.046 20 0 GEADLO Cn1cc(Br)c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)n1 ZINC000575072484 532716928 /nfs/dbraw/zinc/71/69/28/532716928.db2.gz UVJBXGOULWHQJZ-UHFFFAOYSA-N 1 2 383.212 2.073 20 0 GEADLO Cc1csc(=O)n1CC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000409447048 532721777 /nfs/dbraw/zinc/72/17/77/532721777.db2.gz DHFDBCQFXNTSEI-UHFFFAOYSA-N 1 2 383.315 2.198 20 0 GEADLO CCOCC[N@@H+]1CCN(S(=O)(=O)c2nc3ccccc3s2)C[C@H]1CC ZINC000575918695 532722122 /nfs/dbraw/zinc/72/21/22/532722122.db2.gz HGRFOIVEEVMAON-CQSZACIVSA-N 1 2 383.539 2.418 20 0 GEADLO CCOCC[N@H+]1CCN(S(=O)(=O)c2nc3ccccc3s2)C[C@H]1CC ZINC000575918695 532722126 /nfs/dbraw/zinc/72/21/26/532722126.db2.gz HGRFOIVEEVMAON-CQSZACIVSA-N 1 2 383.539 2.418 20 0 GEADLO O=C(c1cn2ccc(Br)cc2n1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671646856 532722682 /nfs/dbraw/zinc/72/26/82/532722682.db2.gz CWUAGOQMJPLTDH-AWEZNQCLSA-N 1 2 393.285 2.034 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000646111724 532722751 /nfs/dbraw/zinc/72/27/51/532722751.db2.gz VLAXLCCMGDFCPX-CQSZACIVSA-N 1 2 381.757 2.418 20 0 GEADLO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000646111724 532722758 /nfs/dbraw/zinc/72/27/58/532722758.db2.gz VLAXLCCMGDFCPX-CQSZACIVSA-N 1 2 381.757 2.418 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@@H+](Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]21 ZINC000286003896 532724866 /nfs/dbraw/zinc/72/48/66/532724866.db2.gz ZCYNVOZCGTXABM-OLZOCXBDSA-N 1 2 392.257 2.097 20 0 GEADLO CN1C(=O)N[C@@H]2C[N@H+](Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]21 ZINC000286003896 532724875 /nfs/dbraw/zinc/72/48/75/532724875.db2.gz ZCYNVOZCGTXABM-OLZOCXBDSA-N 1 2 392.257 2.097 20 0 GEADLO O=C(Cn1cnnn1)N(Cc1[nH]cc[nH+]1)c1ccc(Br)c(Cl)c1 ZINC000440907144 532725290 /nfs/dbraw/zinc/72/52/90/532725290.db2.gz WIIZMTCKDKPVAI-UHFFFAOYSA-N 1 2 396.636 2.046 20 0 GEADLO Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)c(C)c[nH+]1 ZINC000539230984 532727103 /nfs/dbraw/zinc/72/71/03/532727103.db2.gz APLSKWQVGDGWRS-UHFFFAOYSA-N 1 2 388.898 2.119 20 0 GEADLO O=C(NCc1cc(Br)cs1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000576214705 532728148 /nfs/dbraw/zinc/72/81/48/532728148.db2.gz DSYLTDKLTQBKLX-UHFFFAOYSA-N 1 2 379.239 2.413 20 0 GEADLO Cc1nnc(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000613153545 532728358 /nfs/dbraw/zinc/72/83/58/532728358.db2.gz DIOZYCZKXQOKLM-YOEHRIQHSA-N 1 2 380.901 2.231 20 0 GEADLO Cc1nnc(CC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000613153545 532728360 /nfs/dbraw/zinc/72/83/60/532728360.db2.gz DIOZYCZKXQOKLM-YOEHRIQHSA-N 1 2 380.901 2.231 20 0 GEADLO C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000499957277 532729458 /nfs/dbraw/zinc/72/94/58/532729458.db2.gz XCBYNBXPUHYBDK-VXGBXAGGSA-N 1 2 393.285 2.265 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1CC(=O)Nc1ccccc1Br ZINC000286144443 532730795 /nfs/dbraw/zinc/73/07/95/532730795.db2.gz VRJWSNGYGNBUIS-UONOGXRCSA-N 1 2 382.302 2.183 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCc3cc(Br)cc(F)c3C2)C1 ZINC000577078505 532731840 /nfs/dbraw/zinc/73/18/40/532731840.db2.gz GEPPMPWDZFEGHF-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCc3cc(Br)cc(F)c3C2)C1 ZINC000577078505 532731847 /nfs/dbraw/zinc/73/18/47/532731847.db2.gz GEPPMPWDZFEGHF-NSHDSACASA-N 1 2 391.306 2.228 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000285923755 532718914 /nfs/dbraw/zinc/71/89/14/532718914.db2.gz TUOSXRLTCQOWFG-TZMCWYRMSA-N 1 2 385.277 2.452 20 0 GEADLO CO[C@H](CCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C(F)(F)F ZINC000443209352 532742009 /nfs/dbraw/zinc/74/20/09/532742009.db2.gz FMASFJKEVNUYSZ-CQSZACIVSA-N 1 2 377.388 2.177 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)Cc2cc(Cl)ccc2Br)CCO1 ZINC000676370406 532742416 /nfs/dbraw/zinc/74/24/16/532742416.db2.gz GNZFXBQKPLGNDN-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2cc(Cl)ccc2Br)CCO1 ZINC000676370406 532742422 /nfs/dbraw/zinc/74/24/22/532742422.db2.gz GNZFXBQKPLGNDN-LLVKDONJSA-N 1 2 375.694 2.482 20 0 GEADLO COc1cc(CNc2[nH+]cnc3c2c(Br)nn3C)cc(OC)c1O ZINC000301168236 532743273 /nfs/dbraw/zinc/74/32/73/532743273.db2.gz SIXCWZXQLRAEMT-UHFFFAOYSA-N 1 2 394.229 2.461 20 0 GEADLO C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000410917181 532743728 /nfs/dbraw/zinc/74/37/28/532743728.db2.gz UHKZYANPXVMTHD-HNNXBMFYSA-N 1 2 398.276 2.026 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCS[C@H](C)CC2)CC1 ZINC000410946728 532744416 /nfs/dbraw/zinc/74/44/16/532744416.db2.gz PJMDQGYAPRTGHX-HUUCEWRRSA-N 1 2 381.567 2.307 20 0 GEADLO O=C(c1ccc(C(F)(F)F)[nH]1)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615096825 532746350 /nfs/dbraw/zinc/74/63/50/532746350.db2.gz RLSMDUJOPULZSY-GFCCVEGCSA-N 1 2 377.432 2.313 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)NCC1CC[NH+](CC(F)F)CC1 ZINC000580449139 532747271 /nfs/dbraw/zinc/74/72/71/532747271.db2.gz HJSKAVHVBAZYDH-UHFFFAOYSA-N 1 2 392.244 2.186 20 0 GEADLO Cc1cc(NC[C@H](O)COc2ccc(I)cc2)nc[nH+]1 ZINC000301258341 532747681 /nfs/dbraw/zinc/74/76/81/532747681.db2.gz OBUVFGRSHBHSRQ-LBPRGKRZSA-N 1 2 385.205 2.241 20 0 GEADLO C[NH+](C)CC1CN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C1 ZINC000615513576 532747726 /nfs/dbraw/zinc/74/77/26/532747726.db2.gz VHXDHLNMPDLUHQ-UHFFFAOYSA-N 1 2 379.507 2.183 20 0 GEADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613634261 532733008 /nfs/dbraw/zinc/73/30/08/532733008.db2.gz HVYHFUAMYLTGSS-BXUZGUMPSA-N 1 2 384.889 2.465 20 0 GEADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613634261 532733017 /nfs/dbraw/zinc/73/30/17/532733017.db2.gz HVYHFUAMYLTGSS-BXUZGUMPSA-N 1 2 384.889 2.465 20 0 GEADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613634265 532733233 /nfs/dbraw/zinc/73/32/33/532733233.db2.gz HVYHFUAMYLTGSS-FZMZJTMJSA-N 1 2 384.889 2.465 20 0 GEADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613634265 532733239 /nfs/dbraw/zinc/73/32/39/532733239.db2.gz HVYHFUAMYLTGSS-FZMZJTMJSA-N 1 2 384.889 2.465 20 0 GEADLO CCc1nc(CCNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cs1 ZINC000442985289 532737376 /nfs/dbraw/zinc/73/73/76/532737376.db2.gz CYCVEVJXYWAFLM-UHFFFAOYSA-N 1 2 376.507 2.471 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC[N@@H+]1CCOC ZINC000501180454 532738446 /nfs/dbraw/zinc/73/84/46/532738446.db2.gz TZIVJNABSNNZLZ-GFCCVEGCSA-N 1 2 380.432 2.225 20 0 GEADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC[N@H+]1CCOC ZINC000501180454 532738449 /nfs/dbraw/zinc/73/84/49/532738449.db2.gz TZIVJNABSNNZLZ-GFCCVEGCSA-N 1 2 380.432 2.225 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000540470330 532738709 /nfs/dbraw/zinc/73/87/09/532738709.db2.gz SCMKOLXGUIBVSO-UHFFFAOYSA-N 1 2 387.910 2.307 20 0 GEADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000540470346 532739208 /nfs/dbraw/zinc/73/92/08/532739208.db2.gz STUKIZYFKOKDCJ-JKSUJKDBSA-N 1 2 383.286 2.070 20 0 GEADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000540470346 532739215 /nfs/dbraw/zinc/73/92/15/532739215.db2.gz STUKIZYFKOKDCJ-JKSUJKDBSA-N 1 2 383.286 2.070 20 0 GEADLO O=C(Cc1c(Cl)cccc1Br)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614514155 532739410 /nfs/dbraw/zinc/73/94/10/532739410.db2.gz JJABZYOONMSSAJ-LBPRGKRZSA-N 1 2 386.721 2.151 20 0 GEADLO O=C(Cc1c(Cl)cccc1Br)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614514155 532739414 /nfs/dbraw/zinc/73/94/14/532739414.db2.gz JJABZYOONMSSAJ-LBPRGKRZSA-N 1 2 386.721 2.151 20 0 GEADLO C[C@H](OCC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)c1nccn1C ZINC000579321446 532740118 /nfs/dbraw/zinc/74/01/18/532740118.db2.gz NCVWNJVOBNAHFU-JTQLQIEISA-N 1 2 382.262 2.360 20 0 GEADLO C[C@@H]1C[C@H](CCNS(=O)(=O)NCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000443025293 532740757 /nfs/dbraw/zinc/74/07/57/532740757.db2.gz LZWZBPLXEZZCPK-HIFRSBDPSA-N 1 2 379.448 2.273 20 0 GEADLO C[C@@H]1C[C@H](CCNS(=O)(=O)NCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000443025293 532740759 /nfs/dbraw/zinc/74/07/59/532740759.db2.gz LZWZBPLXEZZCPK-HIFRSBDPSA-N 1 2 379.448 2.273 20 0 GEADLO O=C(CCn1cc(Br)cn1)N1CC[NH+](Cc2cccs2)CC1 ZINC000614532566 532741552 /nfs/dbraw/zinc/74/15/52/532741552.db2.gz DSCKFQDWHQUABB-UHFFFAOYSA-N 1 2 383.315 2.442 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN(c3ccccc3S(=O)(=O)C(F)F)CC2)S1 ZINC000301583847 532755208 /nfs/dbraw/zinc/75/52/08/532755208.db2.gz OIQVLTBLAOMGOP-NSHDSACASA-N 1 2 375.466 2.296 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)c1cnc2ccc(Br)cc2c1O ZINC000541556979 532755865 /nfs/dbraw/zinc/75/58/65/532755865.db2.gz GXPCOFGNLYAAHM-UHFFFAOYSA-N 1 2 375.226 2.307 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)c1c[nH]c2ccc(Br)cc2c1=O ZINC000541556979 532755866 /nfs/dbraw/zinc/75/58/66/532755866.db2.gz GXPCOFGNLYAAHM-UHFFFAOYSA-N 1 2 375.226 2.307 20 0 GEADLO C[NH+]1CCN(S(=O)(=O)c2ccccc2CNc2ccnc(Cl)c2)CC1 ZINC000301624066 532756357 /nfs/dbraw/zinc/75/63/57/532756357.db2.gz FTYMYRLTEYTOMX-UHFFFAOYSA-N 1 2 380.901 2.283 20 0 GEADLO COc1nc(N2CCN(c3nc(C)[nH+]c(C)c3C)CC2)ncc1Br ZINC000301648439 532756800 /nfs/dbraw/zinc/75/68/00/532756800.db2.gz FILVROLJAAQVLU-UHFFFAOYSA-N 1 2 393.289 2.290 20 0 GEADLO C[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1ccc(Br)cc1F ZINC000286596187 532757199 /nfs/dbraw/zinc/75/71/99/532757199.db2.gz GQHFPCYYMVKRIC-YPMHNXCESA-N 1 2 387.297 2.194 20 0 GEADLO C[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1ccc(Br)cc1F ZINC000286596187 532757204 /nfs/dbraw/zinc/75/72/04/532757204.db2.gz GQHFPCYYMVKRIC-YPMHNXCESA-N 1 2 387.297 2.194 20 0 GEADLO C[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)c1nnc2ccccn21 ZINC000541651773 532757585 /nfs/dbraw/zinc/75/75/85/532757585.db2.gz RPXUITJDJFWYEN-NSHDSACASA-N 1 2 399.252 2.351 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000286642692 532759356 /nfs/dbraw/zinc/75/93/56/532759356.db2.gz DHVCQZQWMDKBEW-AAEUAGOBSA-N 1 2 393.285 2.261 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000286639695 532759876 /nfs/dbraw/zinc/75/98/76/532759876.db2.gz TUCHTMDUCOPXMV-OAHLLOKOSA-N 1 2 378.778 2.384 20 0 GEADLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000286639695 532759879 /nfs/dbraw/zinc/75/98/79/532759879.db2.gz TUCHTMDUCOPXMV-OAHLLOKOSA-N 1 2 378.778 2.384 20 0 GEADLO Cc1cccc(CCCNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)[nH+]1 ZINC000286686031 532761923 /nfs/dbraw/zinc/76/19/23/532761923.db2.gz XFTPSOVZNXEQHI-UHFFFAOYSA-N 1 2 382.507 2.242 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000267631796 532749010 /nfs/dbraw/zinc/74/90/10/532749010.db2.gz XEPFRZDEINCNOW-CYBMUJFWSA-N 1 2 375.441 2.158 20 0 GEADLO Cc1sc2nc(C[NH+]3CCCC3)nc(-n3cnnc3[S@](C)=O)c2c1C ZINC000301300205 532748997 /nfs/dbraw/zinc/74/89/97/532748997.db2.gz UKSTWSHVSDQHII-VWLOTQADSA-N 1 2 376.511 2.222 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000286475466 532750000 /nfs/dbraw/zinc/75/00/00/532750000.db2.gz LBRFTJXNLYVAJO-HNNXBMFYSA-N 1 2 376.400 2.060 20 0 GEADLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000286475466 532750004 /nfs/dbraw/zinc/75/00/04/532750004.db2.gz LBRFTJXNLYVAJO-HNNXBMFYSA-N 1 2 376.400 2.060 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000444720353 532750369 /nfs/dbraw/zinc/75/03/69/532750369.db2.gz SWZIFYKRVLYRIJ-IUODEOHRSA-N 1 2 381.416 2.104 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000444720353 532750377 /nfs/dbraw/zinc/75/03/77/532750377.db2.gz SWZIFYKRVLYRIJ-IUODEOHRSA-N 1 2 381.416 2.104 20 0 GEADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000616162545 532751075 /nfs/dbraw/zinc/75/10/75/532751075.db2.gz JMUQWTABQIFEOL-LBPRGKRZSA-N 1 2 394.269 2.243 20 0 GEADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000616162545 532751078 /nfs/dbraw/zinc/75/10/78/532751078.db2.gz JMUQWTABQIFEOL-LBPRGKRZSA-N 1 2 394.269 2.243 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CC[C@H](CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000444709321 532751112 /nfs/dbraw/zinc/75/11/12/532751112.db2.gz QEPOVTHWRCKXHK-KGLIPLIRSA-N 1 2 384.464 2.077 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CC[C@H](CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000444709321 532751117 /nfs/dbraw/zinc/75/11/17/532751117.db2.gz QEPOVTHWRCKXHK-KGLIPLIRSA-N 1 2 384.464 2.077 20 0 GEADLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000301557420 532753662 /nfs/dbraw/zinc/75/36/62/532753662.db2.gz NSUIFWZDWRLHHZ-LBPRGKRZSA-N 1 2 390.285 2.221 20 0 GEADLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000541498299 532753756 /nfs/dbraw/zinc/75/37/56/532753756.db2.gz YMUFFPHLVLZSMI-INIZCTEOSA-N 1 2 380.286 2.310 20 0 GEADLO CC[N@H+]1CCOC[C@H]1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000541498299 532753760 /nfs/dbraw/zinc/75/37/60/532753760.db2.gz YMUFFPHLVLZSMI-INIZCTEOSA-N 1 2 380.286 2.310 20 0 GEADLO Cn1ncc2c1nc(N1CCO[C@@H](c3cccc(Br)c3)C1)[nH+]c2N ZINC000302883840 532775075 /nfs/dbraw/zinc/77/50/75/532775075.db2.gz LGKAYBSKSJQQGX-CYBMUJFWSA-N 1 2 389.257 2.286 20 0 GEADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(=O)NC ZINC000302876434 532775118 /nfs/dbraw/zinc/77/51/18/532775118.db2.gz OCVIOWYOICOWOY-VIFPVBQESA-N 1 2 375.256 2.098 20 0 GEADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(=O)NC ZINC000302876434 532775123 /nfs/dbraw/zinc/77/51/23/532775123.db2.gz OCVIOWYOICOWOY-VIFPVBQESA-N 1 2 375.256 2.098 20 0 GEADLO C[C@H](CC[S@](C)=O)Nc1nc(N[C@H](C)CC[S@](C)=O)c(Cl)c[nH+]1 ZINC000269019877 532775261 /nfs/dbraw/zinc/77/52/61/532775261.db2.gz DYGWUEMUJILATF-QYEWTTOBSA-N 1 2 380.967 2.268 20 0 GEADLO COC[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccco1 ZINC000542559816 532775317 /nfs/dbraw/zinc/77/53/17/532775317.db2.gz XQOCKJFLUKTSPT-AWEZNQCLSA-N 1 2 386.857 2.252 20 0 GEADLO COc1cc(C)c(Br)cc1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000512275234 532778084 /nfs/dbraw/zinc/77/80/84/532778084.db2.gz FABDNHHGBVTQKY-UHFFFAOYSA-N 1 2 393.285 2.447 20 0 GEADLO COc1cc(C)c(Br)cc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000512925531 532778734 /nfs/dbraw/zinc/77/87/34/532778734.db2.gz IXKRETNMMJNVNJ-ZDUSSCGKSA-N 1 2 383.286 2.359 20 0 GEADLO COc1cc(C)c(Br)cc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000512925531 532778737 /nfs/dbraw/zinc/77/87/37/532778737.db2.gz IXKRETNMMJNVNJ-ZDUSSCGKSA-N 1 2 383.286 2.359 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000542078755 532763990 /nfs/dbraw/zinc/76/39/90/532763990.db2.gz BRDMFPZVOOEOJR-AWEZNQCLSA-N 1 2 398.345 2.142 20 0 GEADLO Cn1ncc2c1nc(N1CCN(c3cccc(Br)c3)CC1)[nH+]c2N ZINC000286707005 532764057 /nfs/dbraw/zinc/76/40/57/532764057.db2.gz KRISMTNTYAFHNP-UHFFFAOYSA-N 1 2 388.273 2.035 20 0 GEADLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2ccccc2Br)C1=O ZINC000542157246 532765605 /nfs/dbraw/zinc/76/56/05/532765605.db2.gz OOJSAYHOXNKDGF-AWEZNQCLSA-N 1 2 391.269 2.104 20 0 GEADLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000542138437 532765826 /nfs/dbraw/zinc/76/58/26/532765826.db2.gz FMKOPONHKNHMCD-UHFFFAOYSA-N 1 2 397.722 2.055 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000621549212 532767218 /nfs/dbraw/zinc/76/72/18/532767218.db2.gz MOSWQSGPOUJKGS-UHFFFAOYSA-N 1 2 395.257 2.113 20 0 GEADLO CC(CCN1CC[S@](=O)CC1(C)C)CC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000411599615 532769415 /nfs/dbraw/zinc/76/94/15/532769415.db2.gz CAJRGFDMGMRESI-ZEQRLZLVSA-N 1 2 376.632 2.089 20 0 GEADLO CC(CCN1CC[S@](=O)CC1(C)C)CC[N@H+]1CC[S@](=O)CC1(C)C ZINC000411599615 532769417 /nfs/dbraw/zinc/76/94/17/532769417.db2.gz CAJRGFDMGMRESI-ZEQRLZLVSA-N 1 2 376.632 2.089 20 0 GEADLO CN1CCN(c2cc(NCc3ccc(Br)cc3)[nH+]cn2)CC1=O ZINC000302591162 532771002 /nfs/dbraw/zinc/77/10/02/532771002.db2.gz WAUUOGCAPQJDLH-UHFFFAOYSA-N 1 2 376.258 2.130 20 0 GEADLO CN1CCN(c2cc(NCc3ccc(Br)cc3)nc[nH+]2)CC1=O ZINC000302591162 532771009 /nfs/dbraw/zinc/77/10/09/532771009.db2.gz WAUUOGCAPQJDLH-UHFFFAOYSA-N 1 2 376.258 2.130 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000411657416 532771938 /nfs/dbraw/zinc/77/19/38/532771938.db2.gz HIMDAZLCXNEVLR-UHFFFAOYSA-N 1 2 396.738 2.121 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000510450153 532773286 /nfs/dbraw/zinc/77/32/86/532773286.db2.gz SFUDLNWENBJHDV-AWEZNQCLSA-N 1 2 383.857 2.290 20 0 GEADLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000287121155 532784056 /nfs/dbraw/zinc/78/40/56/532784056.db2.gz AJXYQAXHDFUKCI-GFCCVEGCSA-N 1 2 383.499 2.234 20 0 GEADLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000412102585 532785221 /nfs/dbraw/zinc/78/52/21/532785221.db2.gz ZZOYUHBWZOTFAA-CHWSQXEVSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H]1[C@@H](CO)CCC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000412102585 532785226 /nfs/dbraw/zinc/78/52/26/532785226.db2.gz ZZOYUHBWZOTFAA-CHWSQXEVSA-N 1 2 376.316 2.316 20 0 GEADLO CCCCCc1nnc(NC(=O)C[N@@H+]2CCSC[C@H](C(=O)OC)C2)s1 ZINC000412090192 532785395 /nfs/dbraw/zinc/78/53/95/532785395.db2.gz YAIHNGQNTPHCSB-GFCCVEGCSA-N 1 2 386.543 2.047 20 0 GEADLO CCCCCc1nnc(NC(=O)C[N@H+]2CCSC[C@H](C(=O)OC)C2)s1 ZINC000412090192 532785397 /nfs/dbraw/zinc/78/53/97/532785397.db2.gz YAIHNGQNTPHCSB-GFCCVEGCSA-N 1 2 386.543 2.047 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000412085906 532785684 /nfs/dbraw/zinc/78/56/84/532785684.db2.gz UPXULHZOVRVEIH-NSHDSACASA-N 1 2 384.864 2.398 20 0 GEADLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000412085906 532785688 /nfs/dbraw/zinc/78/56/88/532785688.db2.gz UPXULHZOVRVEIH-NSHDSACASA-N 1 2 384.864 2.398 20 0 GEADLO CC[C@H]1C[C@@H](C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)CC(=O)N1 ZINC000546822614 532785957 /nfs/dbraw/zinc/78/59/57/532785957.db2.gz BECVFQBDHHRMQX-YPMHNXCESA-N 1 2 393.285 2.326 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000412085904 532785972 /nfs/dbraw/zinc/78/59/72/532785972.db2.gz UPXULHZOVRVEIH-LLVKDONJSA-N 1 2 384.864 2.398 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000412085904 532785975 /nfs/dbraw/zinc/78/59/75/532785975.db2.gz UPXULHZOVRVEIH-LLVKDONJSA-N 1 2 384.864 2.398 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)COC[C@H]3CCOC3)[nH+]c12 ZINC000546823021 532786341 /nfs/dbraw/zinc/78/63/41/532786341.db2.gz GVVWNODRISXYIP-LBPRGKRZSA-N 1 2 382.258 2.075 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cnc1Cl ZINC000287225352 532787090 /nfs/dbraw/zinc/78/70/90/532787090.db2.gz IWNXFBZJQUMPNW-CMPLNLGQSA-N 1 2 388.693 2.433 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(OC)c(Br)c2)C1 ZINC000412359136 532789058 /nfs/dbraw/zinc/78/90/58/532789058.db2.gz FYSKSGKFAXKPEF-LBPRGKRZSA-N 1 2 399.285 2.073 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(OC)c(Br)c2)C1 ZINC000412359136 532789063 /nfs/dbraw/zinc/78/90/63/532789063.db2.gz FYSKSGKFAXKPEF-LBPRGKRZSA-N 1 2 399.285 2.073 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)ccc2C)C1 ZINC000412375909 532790241 /nfs/dbraw/zinc/79/02/41/532790241.db2.gz WJMLPBAHZSEMAY-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(Br)ccc2C)C1 ZINC000412375909 532790243 /nfs/dbraw/zinc/79/02/43/532790243.db2.gz WJMLPBAHZSEMAY-CYBMUJFWSA-N 1 2 383.286 2.372 20 0 GEADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000326902038 532791122 /nfs/dbraw/zinc/79/11/22/532791122.db2.gz JJWSGQHNSRHFIF-HNNXBMFYSA-N 1 2 383.901 2.100 20 0 GEADLO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cnc1Br ZINC000287319894 532791441 /nfs/dbraw/zinc/79/14/41/532791441.db2.gz XIGPDMLQYXLIJJ-OCCSQVGLSA-N 1 2 383.290 2.479 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(C)ccc2Br)CC1 ZINC000412438377 532792603 /nfs/dbraw/zinc/79/26/03/532792603.db2.gz SVWIIIPCILKCAT-UHFFFAOYSA-N 1 2 385.302 2.177 20 0 GEADLO CNC(=O)c1cccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)c1Br ZINC000287391254 532793801 /nfs/dbraw/zinc/79/38/01/532793801.db2.gz LXXREVVVSJBSIO-SNVBAGLBSA-N 1 2 380.246 2.215 20 0 GEADLO O=C([C@H]1CC12CCS(=O)(=O)CC2)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000328664262 532794704 /nfs/dbraw/zinc/79/47/04/532794704.db2.gz BRJJSZOVFJOOHV-CVEARBPZSA-N 1 2 382.913 2.028 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000412545775 532794882 /nfs/dbraw/zinc/79/48/82/532794882.db2.gz DENLGSFFFGVEEP-UHFFFAOYSA-N 1 2 386.945 2.379 20 0 GEADLO CCn1cnc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000328722834 532796246 /nfs/dbraw/zinc/79/62/46/532796246.db2.gz AFXOUTLRSGFIRF-ZBFHGGJFSA-N 1 2 386.880 2.419 20 0 GEADLO CCn1cnc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000328722834 532796250 /nfs/dbraw/zinc/79/62/50/532796250.db2.gz AFXOUTLRSGFIRF-ZBFHGGJFSA-N 1 2 386.880 2.419 20 0 GEADLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@@H]21)Nc1ccc(I)cc1 ZINC000514203920 532780691 /nfs/dbraw/zinc/78/06/91/532780691.db2.gz NAOBHWZPFYTNIN-KBPBESRZSA-N 1 2 386.233 2.483 20 0 GEADLO O=C(C[N@H+]1CCO[C@H]2CCC[C@@H]21)Nc1ccc(I)cc1 ZINC000514203920 532780697 /nfs/dbraw/zinc/78/06/97/532780697.db2.gz NAOBHWZPFYTNIN-KBPBESRZSA-N 1 2 386.233 2.483 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000329282473 532805074 /nfs/dbraw/zinc/80/50/74/532805074.db2.gz NPAIOVHLRAIUAY-GFCCVEGCSA-N 1 2 399.563 2.064 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000329282473 532805076 /nfs/dbraw/zinc/80/50/76/532805076.db2.gz NPAIOVHLRAIUAY-GFCCVEGCSA-N 1 2 399.563 2.064 20 0 GEADLO COC(=O)c1cc(C(C)(C)[NH2+]CC(=O)Nc2ccc(Br)cn2)no1 ZINC000554945032 532806889 /nfs/dbraw/zinc/80/68/89/532806889.db2.gz ASONUFLRJWSENB-UHFFFAOYSA-N 1 2 397.229 2.082 20 0 GEADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ncc(Br)cn3)[nH+]cn2)C1 ZINC000413307696 532810067 /nfs/dbraw/zinc/81/00/67/532810067.db2.gz YYYQISLTLHMHKP-TUAOUCFPSA-N 1 2 393.289 2.409 20 0 GEADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ncc(Br)cn3)nc[nH+]2)C1 ZINC000413307696 532810068 /nfs/dbraw/zinc/81/00/68/532810068.db2.gz YYYQISLTLHMHKP-TUAOUCFPSA-N 1 2 393.289 2.409 20 0 GEADLO C[C@H](c1nncn1C)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000287826468 532811072 /nfs/dbraw/zinc/81/10/72/532811072.db2.gz PYJFVTBLBKUUSZ-LLVKDONJSA-N 1 2 393.289 2.384 20 0 GEADLO O=c1n(CC[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)nc2ccccn21 ZINC000550078899 532797498 /nfs/dbraw/zinc/79/74/98/532797498.db2.gz FNVIPKWLDSOZJC-OAHLLOKOSA-N 1 2 388.269 2.491 20 0 GEADLO O=c1n(CC[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)nc2ccccn21 ZINC000550078899 532797503 /nfs/dbraw/zinc/79/75/03/532797503.db2.gz FNVIPKWLDSOZJC-OAHLLOKOSA-N 1 2 388.269 2.491 20 0 GEADLO COCC1(O)CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000270397005 532797787 /nfs/dbraw/zinc/79/77/87/532797787.db2.gz UMPBZOYAXUGPCV-UHFFFAOYSA-N 1 2 382.258 2.472 20 0 GEADLO COc1ccc(Br)c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000287496314 532797958 /nfs/dbraw/zinc/79/79/58/532797958.db2.gz UKZDJVMCZARRFH-OLZOCXBDSA-N 1 2 383.286 2.393 20 0 GEADLO CN(CC1CC1)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328810766 532797968 /nfs/dbraw/zinc/79/79/68/532797968.db2.gz FETKGHBIUJZPPO-HOTGVXAUSA-N 1 2 375.897 2.401 20 0 GEADLO CN(CC1CC1)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328810766 532797971 /nfs/dbraw/zinc/79/79/71/532797971.db2.gz FETKGHBIUJZPPO-HOTGVXAUSA-N 1 2 375.897 2.401 20 0 GEADLO O=C(NCc1ccsc1Br)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000287592319 532801609 /nfs/dbraw/zinc/80/16/09/532801609.db2.gz MTACKGVDGRNEOX-UHFFFAOYSA-N 1 2 397.298 2.256 20 0 GEADLO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000329166024 532802782 /nfs/dbraw/zinc/80/27/82/532802782.db2.gz HMXHOYDBXOAHBE-GFCCVEGCSA-N 1 2 388.327 2.135 20 0 GEADLO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000329166024 532802784 /nfs/dbraw/zinc/80/27/84/532802784.db2.gz HMXHOYDBXOAHBE-GFCCVEGCSA-N 1 2 388.327 2.135 20 0 GEADLO COc1sc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1Br ZINC000271166729 532803712 /nfs/dbraw/zinc/80/37/12/532803712.db2.gz HUUROKYLIYCCNN-VIFPVBQESA-N 1 2 383.333 2.020 20 0 GEADLO COc1sc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1Br ZINC000271166729 532803720 /nfs/dbraw/zinc/80/37/20/532803720.db2.gz HUUROKYLIYCCNN-VIFPVBQESA-N 1 2 383.333 2.020 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@H](NS(=O)(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000329863147 532812441 /nfs/dbraw/zinc/81/24/41/532812441.db2.gz YYIVNKSRVTXRNL-DLBZAZTESA-N 1 2 387.933 2.078 20 0 GEADLO C[N@H+]1CCO[C@H]([C@H](NS(=O)(=O)NC2CCCC2)c2ccc(Cl)cc2)C1 ZINC000329863147 532812443 /nfs/dbraw/zinc/81/24/43/532812443.db2.gz YYIVNKSRVTXRNL-DLBZAZTESA-N 1 2 387.933 2.078 20 0 GEADLO Cc1nc(Cl)ccc1S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000287914827 532813300 /nfs/dbraw/zinc/81/33/00/532813300.db2.gz TZUYWLVFJFUEPF-UHFFFAOYSA-N 1 2 375.922 2.022 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330421449 532817908 /nfs/dbraw/zinc/81/79/08/532817908.db2.gz RRHWJMQOCOADTA-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330421449 532817909 /nfs/dbraw/zinc/81/79/09/532817909.db2.gz RRHWJMQOCOADTA-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C)CC1 ZINC000330421249 532817979 /nfs/dbraw/zinc/81/79/79/532817979.db2.gz QFGYSBGAELVAQR-AWEZNQCLSA-N 1 2 380.432 2.091 20 0 GEADLO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330206067 532815695 /nfs/dbraw/zinc/81/56/95/532815695.db2.gz DWZKYGHZVNTYCV-RYUDHWBXSA-N 1 2 381.889 2.349 20 0 GEADLO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330206067 532815698 /nfs/dbraw/zinc/81/56/98/532815698.db2.gz DWZKYGHZVNTYCV-RYUDHWBXSA-N 1 2 381.889 2.349 20 0 GEADLO Brc1ccsc1C[NH+]1CCN(c2cncc3ncnn32)CC1 ZINC000272825732 532818341 /nfs/dbraw/zinc/81/83/41/532818341.db2.gz JYMAAXFKZALBMC-UHFFFAOYSA-N 1 2 379.287 2.271 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCc1cc(F)c(F)cc1Br ZINC000288202524 532820571 /nfs/dbraw/zinc/82/05/71/532820571.db2.gz QDKUIMNXNVNDMI-UHFFFAOYSA-N 1 2 392.244 2.201 20 0 GEADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cnn(C)c3Br)CC2)c1 ZINC000273202903 532820587 /nfs/dbraw/zinc/82/05/87/532820587.db2.gz JBEUFPYGEUPJRG-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO CN(C(=O)c1cc2c(c(Br)c1)OCO2)C(C)(C)C[NH+]1CCOCC1 ZINC000414048013 532818054 /nfs/dbraw/zinc/81/80/54/532818054.db2.gz DQRKEYXGNRJYKR-UHFFFAOYSA-N 1 2 399.285 2.361 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N(C)CC[C@H](C)O)[nH+]c12 ZINC000273419502 532823677 /nfs/dbraw/zinc/82/36/77/532823677.db2.gz GPBXLKLXBIPPBG-LBPRGKRZSA-N 1 2 383.290 2.360 20 0 GEADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C[C@@H]1C ZINC000330557563 532821150 /nfs/dbraw/zinc/82/11/50/532821150.db2.gz GBHJHPSQWGBDFE-NWDGAFQWSA-N 1 2 389.905 2.357 20 0 GEADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C[C@@H]1C ZINC000330557563 532821152 /nfs/dbraw/zinc/82/11/52/532821152.db2.gz GBHJHPSQWGBDFE-NWDGAFQWSA-N 1 2 389.905 2.357 20 0 GEADLO CC[N@@H+]1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)[C@@H](C)C1 ZINC000288231590 532821459 /nfs/dbraw/zinc/82/14/59/532821459.db2.gz DGVHOICEXSAAJC-NSHDSACASA-N 1 2 389.315 2.019 20 0 GEADLO CC[N@H+]1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)[C@@H](C)C1 ZINC000288231590 532821462 /nfs/dbraw/zinc/82/14/62/532821462.db2.gz DGVHOICEXSAAJC-NSHDSACASA-N 1 2 389.315 2.019 20 0 GEADLO CCOC(=O)NCCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273324650 532823035 /nfs/dbraw/zinc/82/30/35/532823035.db2.gz SOMVNIJPQQSREF-UHFFFAOYSA-N 1 2 397.273 2.200 20 0 GEADLO COc1cc(Br)ccc1C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000330792731 532827367 /nfs/dbraw/zinc/82/73/67/532827367.db2.gz CGEDTBBYTBIPQX-CQSZACIVSA-N 1 2 391.331 2.360 20 0 GEADLO COc1cc(Br)ccc1C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000330792731 532827368 /nfs/dbraw/zinc/82/73/68/532827368.db2.gz CGEDTBBYTBIPQX-CQSZACIVSA-N 1 2 391.331 2.360 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCC[C@H]3O)[nH+]c12 ZINC000273599471 532827592 /nfs/dbraw/zinc/82/75/92/532827592.db2.gz XSBSUUMCIVLEKK-ZIAGYGMSSA-N 1 2 381.274 2.160 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H](C)CCO)[nH+]c12 ZINC000273597034 532827852 /nfs/dbraw/zinc/82/78/52/532827852.db2.gz WUBLZYQHOHGQSS-NSHDSACASA-N 1 2 383.290 2.265 20 0 GEADLO C[NH+](C)Cc1nc(C(C)(C)NS(=O)(=O)c2ccc(C(F)(F)F)s2)no1 ZINC000414454415 532828399 /nfs/dbraw/zinc/82/83/99/532828399.db2.gz QNTPCDXIMVLUTA-UHFFFAOYSA-N 1 2 398.432 2.425 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000330903951 532829980 /nfs/dbraw/zinc/82/99/80/532829980.db2.gz LTVFKTGUPAJVNN-UHFFFAOYSA-N 1 2 396.738 2.121 20 0 GEADLO C[C@@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)Cn1cc[nH+]c1 ZINC000414462523 532828810 /nfs/dbraw/zinc/82/88/10/532828810.db2.gz FNKQWTYCUWIHFQ-JTQLQIEISA-N 1 2 376.251 2.399 20 0 GEADLO C[C@H](CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)Oc1ccc(Br)cc1 ZINC000288520999 532829754 /nfs/dbraw/zinc/82/97/54/532829754.db2.gz XNCQKDIVOCPYRF-YGRLFVJLSA-N 1 2 393.241 2.103 20 0 GEADLO C[C@H](CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)Oc1ccc(Br)cc1 ZINC000288520999 532829756 /nfs/dbraw/zinc/82/97/56/532829756.db2.gz XNCQKDIVOCPYRF-YGRLFVJLSA-N 1 2 393.241 2.103 20 0 GEADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)C(=O)N(C)C)ccc1Br ZINC000331166616 532834771 /nfs/dbraw/zinc/83/47/71/532834771.db2.gz HZHGRNFWWMNYAB-BBRMVZONSA-N 1 2 396.329 2.487 20 0 GEADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)C(=O)N(C)C)ccc1Br ZINC000331166616 532834774 /nfs/dbraw/zinc/83/47/74/532834774.db2.gz HZHGRNFWWMNYAB-BBRMVZONSA-N 1 2 396.329 2.487 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC[C@@](C)([NH2+]CC(=O)[O-])C3)c[nH+]c12 ZINC000414645727 532833384 /nfs/dbraw/zinc/83/33/84/532833384.db2.gz AFTCGXRQPRMDQW-MRXNPFEDSA-N 1 2 381.274 2.044 20 0 GEADLO CC(C)=CCCNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000288717808 532835982 /nfs/dbraw/zinc/83/59/82/532835982.db2.gz ZRHLXKGVABLOEG-UHFFFAOYSA-N 1 2 393.285 2.494 20 0 GEADLO CCOC(=O)C1(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)CC1 ZINC000274026625 532839701 /nfs/dbraw/zinc/83/97/01/532839701.db2.gz RXMVLAUVLCPWOL-UHFFFAOYSA-N 1 2 380.242 2.365 20 0 GEADLO O=C(c1cccs1)N1CCCC[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000097089314 212157729 /nfs/dbraw/zinc/15/77/29/212157729.db2.gz ISWPDIHUKDWWCQ-MRXNPFEDSA-N 1 2 384.505 2.487 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3coc(-c4ccc(OC)cc4)n3)C2)nn1 ZINC000359977509 212129334 /nfs/dbraw/zinc/12/93/34/212129334.db2.gz WLBKCIRVNJKLLW-OAHLLOKOSA-N 1 2 383.408 2.175 20 0 GEADLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3coc(-c4ccc(OC)cc4)n3)C2)nn1 ZINC000359977509 212129336 /nfs/dbraw/zinc/12/93/36/212129336.db2.gz WLBKCIRVNJKLLW-OAHLLOKOSA-N 1 2 383.408 2.175 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000359877087 212122461 /nfs/dbraw/zinc/12/24/61/212122461.db2.gz VXUMYYUGHQPHBO-XJKSGUPXSA-N 1 2 380.851 2.074 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000359877087 212122464 /nfs/dbraw/zinc/12/24/64/212122464.db2.gz VXUMYYUGHQPHBO-XJKSGUPXSA-N 1 2 380.851 2.074 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000331461321 532840173 /nfs/dbraw/zinc/84/01/73/532840173.db2.gz JMAHBOZFWWQWRG-NSHDSACASA-N 1 2 377.388 2.360 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000331461321 532840175 /nfs/dbraw/zinc/84/01/75/532840175.db2.gz JMAHBOZFWWQWRG-NSHDSACASA-N 1 2 377.388 2.360 20 0 GEADLO C[C@H]1CCCC[C@@H]1N(C)C(=O)CN(Cc1cn2c([nH+]1)CCCC2)S(C)(=O)=O ZINC000328636594 212088416 /nfs/dbraw/zinc/08/84/16/212088416.db2.gz VOMWUMWFFIFQFV-RDJZCZTQSA-N 1 2 396.557 2.018 20 0 GEADLO CCn1nc(C)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1C ZINC000331559719 532841060 /nfs/dbraw/zinc/84/10/60/532841060.db2.gz FTBUBWLZIYWVIG-LBPRGKRZSA-N 1 2 382.555 2.306 20 0 GEADLO CCn1nc(C)c(S(=O)(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1C ZINC000331559719 532841062 /nfs/dbraw/zinc/84/10/62/532841062.db2.gz FTBUBWLZIYWVIG-LBPRGKRZSA-N 1 2 382.555 2.306 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2s1 ZINC000331542957 532841333 /nfs/dbraw/zinc/84/13/33/532841333.db2.gz HFBISZWXLODWMD-STQMWFEESA-N 1 2 383.539 2.382 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000288933856 532842244 /nfs/dbraw/zinc/84/22/44/532842244.db2.gz YVBBWGAYXXZQNU-LBPRGKRZSA-N 1 2 381.278 2.348 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331716222 532843221 /nfs/dbraw/zinc/84/32/21/532843221.db2.gz OFQINNJSIYQRKJ-UHFFFAOYSA-N 1 2 395.301 2.246 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000289032852 532845540 /nfs/dbraw/zinc/84/55/40/532845540.db2.gz MZRIRJRAPDKMLJ-WCQYABFASA-N 1 2 386.279 2.254 20 0 GEADLO CCOC(=O)C1(O)CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000274273893 532846679 /nfs/dbraw/zinc/84/66/79/532846679.db2.gz MPFPOTFWCYTVDC-UHFFFAOYSA-N 1 2 384.270 2.274 20 0 GEADLO CC[C@H](C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)N1CCCC1=O ZINC000274260318 532846713 /nfs/dbraw/zinc/84/67/13/532846713.db2.gz VBOIDUCJGNRYSX-CQSZACIVSA-N 1 2 393.285 2.422 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000274308590 532847664 /nfs/dbraw/zinc/84/76/64/532847664.db2.gz LMTRJSOGOBVMTG-WFASDCNBSA-N 1 2 381.416 2.247 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000274308590 532847665 /nfs/dbraw/zinc/84/76/65/532847665.db2.gz LMTRJSOGOBVMTG-WFASDCNBSA-N 1 2 381.416 2.247 20 0 GEADLO C[C@H](O)c1ncc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)s1 ZINC000289139827 532848427 /nfs/dbraw/zinc/84/84/27/532848427.db2.gz PGPCOWAPYHMMNK-AWEZNQCLSA-N 1 2 381.523 2.093 20 0 GEADLO C[C@H](O)c1ncc(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)s1 ZINC000289139827 532848430 /nfs/dbraw/zinc/84/84/30/532848430.db2.gz PGPCOWAPYHMMNK-AWEZNQCLSA-N 1 2 381.523 2.093 20 0 GEADLO COc1cc(Cl)c(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000332081337 532848573 /nfs/dbraw/zinc/84/85/73/532848573.db2.gz LUHZCHJKXOLSJZ-NSHDSACASA-N 1 2 385.873 2.269 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C1 ZINC000332082694 532848667 /nfs/dbraw/zinc/84/86/67/532848667.db2.gz OHKTUIJMTXUAAN-SNVBAGLBSA-N 1 2 375.372 2.323 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000289264466 532851189 /nfs/dbraw/zinc/85/11/89/532851189.db2.gz XZMWPSNHZKAMSA-IAQYHMDHSA-N 1 2 386.279 2.254 20 0 GEADLO COc1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc(OC)c1Br ZINC000332506981 532856926 /nfs/dbraw/zinc/85/69/26/532856926.db2.gz ILXSMBTWPCYNHG-CHWSQXEVSA-N 1 2 399.285 2.011 20 0 GEADLO COc1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc(OC)c1Br ZINC000332506981 532856928 /nfs/dbraw/zinc/85/69/28/532856928.db2.gz ILXSMBTWPCYNHG-CHWSQXEVSA-N 1 2 399.285 2.011 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000274824487 532857260 /nfs/dbraw/zinc/85/72/60/532857260.db2.gz KNWJUKYYELPXDK-SWLSCSKDSA-N 1 2 386.265 2.158 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000274824487 532857263 /nfs/dbraw/zinc/85/72/63/532857263.db2.gz KNWJUKYYELPXDK-SWLSCSKDSA-N 1 2 386.265 2.158 20 0 GEADLO COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000289537480 532857878 /nfs/dbraw/zinc/85/78/78/532857878.db2.gz QWTAAIAUVXUUGT-CYBMUJFWSA-N 1 2 386.495 2.326 20 0 GEADLO COc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1OC(F)F ZINC000289528259 532858131 /nfs/dbraw/zinc/85/81/31/532858131.db2.gz PVEGNTGESROFAI-ZDUSSCGKSA-N 1 2 378.441 2.152 20 0 GEADLO COc1cccc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1OC(F)F ZINC000289528259 532858133 /nfs/dbraw/zinc/85/81/33/532858133.db2.gz PVEGNTGESROFAI-ZDUSSCGKSA-N 1 2 378.441 2.152 20 0 GEADLO C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)c2cc(F)c(F)cc2F)C[C@H](C)O1 ZINC000332637355 532859188 /nfs/dbraw/zinc/85/91/88/532859188.db2.gz YMULFZCCGYJILT-TXEJJXNPSA-N 1 2 380.432 2.272 20 0 GEADLO C[C@@H]1C[N@H+](CCCCNS(=O)(=O)c2cc(F)c(F)cc2F)C[C@H](C)O1 ZINC000332637355 532859191 /nfs/dbraw/zinc/85/91/91/532859191.db2.gz YMULFZCCGYJILT-TXEJJXNPSA-N 1 2 380.432 2.272 20 0 GEADLO Brc1cnc2n1CCN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC000289622158 532860954 /nfs/dbraw/zinc/86/09/54/532860954.db2.gz LUIUVBZLORVEAH-UHFFFAOYSA-N 1 2 381.303 2.009 20 0 GEADLO Brc1cnc2n1CCN(c1cc(N3CCSCC3)nc[nH+]1)C2 ZINC000289622158 532860958 /nfs/dbraw/zinc/86/09/58/532860958.db2.gz LUIUVBZLORVEAH-UHFFFAOYSA-N 1 2 381.303 2.009 20 0 GEADLO NC(=O)[C@H](c1ccccc1)[NH+]1CCN(Cc2cncc(Br)c2)CC1 ZINC000289709414 532863838 /nfs/dbraw/zinc/86/38/38/532863838.db2.gz GOIJXRYLAAOVJA-KRWDZBQOSA-N 1 2 389.297 2.188 20 0 GEADLO O=C(Cc1cc(Cl)c(Br)cc1F)NCC[NH+]1CCOCC1 ZINC000416119123 532864392 /nfs/dbraw/zinc/86/43/92/532864392.db2.gz BCWXAASYSBHIHU-UHFFFAOYSA-N 1 2 379.657 2.233 20 0 GEADLO C[C@@]1(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCCOC1 ZINC000333293361 532866424 /nfs/dbraw/zinc/86/64/24/532866424.db2.gz BCJNYLADDVWKOR-MRXNPFEDSA-N 1 2 384.274 2.436 20 0 GEADLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000275138452 532866186 /nfs/dbraw/zinc/86/61/86/532866186.db2.gz DBJMFGCYYYDAGJ-RYUDHWBXSA-N 1 2 380.290 2.275 20 0 GEADLO COC(=O)[C@]1(C)C[N@H+](Cc2ncc(I)s2)C[C@H]1C ZINC000289870567 532866513 /nfs/dbraw/zinc/86/65/13/532866513.db2.gz WFUYTBMBYNMVLO-PRHODGIISA-N 1 2 380.251 2.379 20 0 GEADLO COC(=O)[C@]1(C)C[N@@H+](Cc2ncc(I)s2)C[C@H]1C ZINC000289870567 532866515 /nfs/dbraw/zinc/86/65/15/532866515.db2.gz WFUYTBMBYNMVLO-PRHODGIISA-N 1 2 380.251 2.379 20 0 GEADLO Cc1nc2ccc(Br)cn2c1-c1nc([C@H]2C[NH+]3CCN2CC3)no1 ZINC000289922416 532867522 /nfs/dbraw/zinc/86/75/22/532867522.db2.gz XRLKQGVDMWBWIF-GFCCVEGCSA-N 1 2 389.257 2.128 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1CC(=O)Nc1ccc(Br)cc1 ZINC000289894181 532867263 /nfs/dbraw/zinc/86/72/63/532867263.db2.gz SBRFXDYXPCDJEF-CZUORRHYSA-N 1 2 382.302 2.183 20 0 GEADLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1cccc(I)c1 ZINC000275186327 532867848 /nfs/dbraw/zinc/86/78/48/532867848.db2.gz OCRJPRYWYQUKHB-VHSXEESVSA-N 1 2 399.236 2.098 20 0 GEADLO O=C(c1cc(F)cc(Br)c1O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000416230476 532867932 /nfs/dbraw/zinc/86/79/32/532867932.db2.gz YOJKCOSRGHYWGO-AWEZNQCLSA-N 1 2 380.217 2.476 20 0 GEADLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc(Br)cn1)CCC2 ZINC000333398388 532868084 /nfs/dbraw/zinc/86/80/84/532868084.db2.gz BCSJGLGXHATGJS-LLVKDONJSA-N 1 2 385.287 2.205 20 0 GEADLO COC(=O)c1cn(C2CC[NH+](Cc3cnc(Br)s3)CC2)nn1 ZINC000289976397 532869298 /nfs/dbraw/zinc/86/92/98/532869298.db2.gz JLSCZTIHSXRAJY-UHFFFAOYSA-N 1 2 386.275 2.121 20 0 GEADLO C[C@@H]1C[C@@H](C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000333568491 532871217 /nfs/dbraw/zinc/87/12/17/532871217.db2.gz XQGGHXZKSBAZRH-NEPJUHHUSA-N 1 2 384.274 2.434 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cnc(Br)s1 ZINC000290090338 532872296 /nfs/dbraw/zinc/87/22/96/532872296.db2.gz RFTMGAGBAWZRKG-SNVBAGLBSA-N 1 2 382.349 2.199 20 0 GEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cnc(Br)s1 ZINC000290090338 532872297 /nfs/dbraw/zinc/87/22/97/532872297.db2.gz RFTMGAGBAWZRKG-SNVBAGLBSA-N 1 2 382.349 2.199 20 0 GEADLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)CCOCC2CCCC2)C[C@@H](C)O1 ZINC000416376330 532873216 /nfs/dbraw/zinc/87/32/16/532873216.db2.gz ORSMKNVDLOIYSV-HZPDHXFCSA-N 1 2 376.563 2.000 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)Nc1ncc(Cn2cc(Br)cn2)s1 ZINC000275453404 532876729 /nfs/dbraw/zinc/87/67/29/532876729.db2.gz XYVSHMAMVJSUMC-NSHDSACASA-N 1 2 386.319 2.283 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@H]1CCc2c1cccc2Br ZINC000348461028 532879009 /nfs/dbraw/zinc/87/90/09/532879009.db2.gz YYZMVDCETOKGIB-KBPBESRZSA-N 1 2 375.226 2.323 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@H]1CCc2c1cccc2Br ZINC000348461028 532879010 /nfs/dbraw/zinc/87/90/10/532879010.db2.gz YYZMVDCETOKGIB-KBPBESRZSA-N 1 2 375.226 2.323 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1CCOc2ccc(Br)cc21 ZINC000348502202 532879218 /nfs/dbraw/zinc/87/92/18/532879218.db2.gz VLTVRXPNLCCWBU-QWHCGFSZSA-N 1 2 391.225 2.159 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1CCOc2ccc(Br)cc21 ZINC000348502202 532879219 /nfs/dbraw/zinc/87/92/19/532879219.db2.gz VLTVRXPNLCCWBU-QWHCGFSZSA-N 1 2 391.225 2.159 20 0 GEADLO Ic1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)nc1 ZINC000351090415 532887542 /nfs/dbraw/zinc/88/75/42/532887542.db2.gz YKZYBLSQGOBPSU-LBPRGKRZSA-N 1 2 398.204 2.272 20 0 GEADLO Ic1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)nc1 ZINC000351090415 532887545 /nfs/dbraw/zinc/88/75/45/532887545.db2.gz YKZYBLSQGOBPSU-LBPRGKRZSA-N 1 2 398.204 2.272 20 0 GEADLO CC1(C)C[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H](CO)O1 ZINC000420941744 532887808 /nfs/dbraw/zinc/88/78/08/532887808.db2.gz PQMQZAGCAKMOAG-CYBMUJFWSA-N 1 2 375.296 2.124 20 0 GEADLO CC1(C)C[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H](CO)O1 ZINC000420941744 532887811 /nfs/dbraw/zinc/88/78/11/532887811.db2.gz PQMQZAGCAKMOAG-CYBMUJFWSA-N 1 2 375.296 2.124 20 0 GEADLO CCOCc1nc([C@H](C)Nc2[nH+]cnc3c2c(Br)nn3C)no1 ZINC000290581722 532884914 /nfs/dbraw/zinc/88/49/14/532884914.db2.gz CAUPLEBDWGQPSW-ZETCQYMHSA-N 1 2 382.222 2.218 20 0 GEADLO CN1CC[N@H+](C)C[C@H]1c1noc(Cc2noc3ccc(Br)cc32)n1 ZINC000351333568 532888134 /nfs/dbraw/zinc/88/81/34/532888134.db2.gz GVGNEAIJZUJNOU-ZDUSSCGKSA-N 1 2 392.257 2.482 20 0 GEADLO CN1CC[N@@H+](C)C[C@H]1c1noc(Cc2noc3ccc(Br)cc32)n1 ZINC000351333568 532888135 /nfs/dbraw/zinc/88/81/35/532888135.db2.gz GVGNEAIJZUJNOU-ZDUSSCGKSA-N 1 2 392.257 2.482 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2ccncc2Br)CCN1C ZINC000276066447 532888722 /nfs/dbraw/zinc/88/87/22/532888722.db2.gz UGYJWNRVVOVLLU-ZDUSSCGKSA-N 1 2 379.262 2.098 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCCOCC(F)F)[nH+]c12 ZINC000276298377 532893248 /nfs/dbraw/zinc/89/32/48/532893248.db2.gz NQDARJVCIIUYSB-UHFFFAOYSA-N 1 2 391.216 2.486 20 0 GEADLO C[C@]1(NC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CCS(=O)(=O)C1 ZINC000361956052 532894521 /nfs/dbraw/zinc/89/45/21/532894521.db2.gz CCFZXYZIOSQJHO-INIZCTEOSA-N 1 2 390.958 2.307 20 0 GEADLO C[NH2+]CCCN(C)C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000424036274 532894613 /nfs/dbraw/zinc/89/46/13/532894613.db2.gz ULZNMCPAUYUUNW-UHFFFAOYSA-N 1 2 381.523 2.159 20 0 GEADLO Cc1ccc(S(=O)(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)s1 ZINC000276394627 532894861 /nfs/dbraw/zinc/89/48/61/532894861.db2.gz BGEJQSXBZHHBQH-HNNXBMFYSA-N 1 2 379.507 2.307 20 0 GEADLO Cc1ccc(S(=O)(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)s1 ZINC000276394627 532894862 /nfs/dbraw/zinc/89/48/62/532894862.db2.gz BGEJQSXBZHHBQH-HNNXBMFYSA-N 1 2 379.507 2.307 20 0 GEADLO C[C@H]1CSC(SCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)=N1 ZINC000362392935 532896112 /nfs/dbraw/zinc/89/61/12/532896112.db2.gz VQJQFHJHMUWWFV-GOEBONIOSA-N 1 2 379.551 2.228 20 0 GEADLO C[C@H]1CSC(SCC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)=N1 ZINC000362392935 532896113 /nfs/dbraw/zinc/89/61/13/532896113.db2.gz VQJQFHJHMUWWFV-GOEBONIOSA-N 1 2 379.551 2.228 20 0 GEADLO CCc1nnc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC000291117105 532896158 /nfs/dbraw/zinc/89/61/58/532896158.db2.gz LYVNCDKFVLWWFF-GFCCVEGCSA-N 1 2 381.527 2.035 20 0 GEADLO Cc1oc(Br)cc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000424613870 532896296 /nfs/dbraw/zinc/89/62/96/532896296.db2.gz VULDEVQTYAIZHT-OAHLLOKOSA-N 1 2 389.315 2.288 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000363153873 532897184 /nfs/dbraw/zinc/89/71/84/532897184.db2.gz ANZXGYWGOVJEBU-UHFFFAOYSA-N 1 2 375.416 2.192 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000363153873 532897185 /nfs/dbraw/zinc/89/71/85/532897185.db2.gz ANZXGYWGOVJEBU-UHFFFAOYSA-N 1 2 375.416 2.192 20 0 GEADLO COc1cc(Br)c(C[NH+]2CCC(C(=O)N(C)OC)CC2)cc1O ZINC000291157335 532897678 /nfs/dbraw/zinc/89/76/78/532897678.db2.gz BZXHEJRNAMCOBH-UHFFFAOYSA-N 1 2 387.274 2.395 20 0 GEADLO CON(C)C(=O)C1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000291280813 532899367 /nfs/dbraw/zinc/89/93/67/532899367.db2.gz OPKXYEJPVRDJQC-UHFFFAOYSA-N 1 2 381.274 2.329 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000291336845 532900393 /nfs/dbraw/zinc/90/03/93/532900393.db2.gz WEWTXHUFSPJQSA-HNNXBMFYSA-N 1 2 391.269 2.104 20 0 GEADLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccnn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000364028354 532902560 /nfs/dbraw/zinc/90/25/60/532902560.db2.gz HLFSHVTWFNXYOQ-ZBFHGGJFSA-N 1 2 386.880 2.326 20 0 GEADLO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccnn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000364028354 532902561 /nfs/dbraw/zinc/90/25/61/532902561.db2.gz HLFSHVTWFNXYOQ-ZBFHGGJFSA-N 1 2 386.880 2.326 20 0 GEADLO O=c1[nH]ccc2c1C[N@H+](CCS(=O)(=O)c1cccc(Br)c1)CC2 ZINC000276966873 532904622 /nfs/dbraw/zinc/90/46/22/532904622.db2.gz QPLFINASUNXWLR-UHFFFAOYSA-N 1 2 397.294 2.382 20 0 GEADLO O=c1[nH]ccc2c1C[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)CC2 ZINC000276966873 532904625 /nfs/dbraw/zinc/90/46/25/532904625.db2.gz QPLFINASUNXWLR-UHFFFAOYSA-N 1 2 397.294 2.382 20 0 GEADLO CON(C)C(=O)C1CC[NH+](CC(=O)Nc2ccccc2Br)CC1 ZINC000291604863 532904927 /nfs/dbraw/zinc/90/49/27/532904927.db2.gz BZKJPPGHFGMALR-UHFFFAOYSA-N 1 2 384.274 2.119 20 0 GEADLO O=S(=O)(CC[N@@H+]1CC[C@H](n2cccn2)C1)c1cccc(Br)c1 ZINC000291636009 532906076 /nfs/dbraw/zinc/90/60/76/532906076.db2.gz DLXCOGNFGXCVCO-AWEZNQCLSA-N 1 2 384.299 2.366 20 0 GEADLO O=S(=O)(CC[N@H+]1CC[C@H](n2cccn2)C1)c1cccc(Br)c1 ZINC000291636009 532906078 /nfs/dbraw/zinc/90/60/78/532906078.db2.gz DLXCOGNFGXCVCO-AWEZNQCLSA-N 1 2 384.299 2.366 20 0 GEADLO Cn1cc([C@@H](CO)[NH2+]Cc2ccnc(-c3ccc(Br)cc3)n2)cn1 ZINC000364441386 532906842 /nfs/dbraw/zinc/90/68/42/532906842.db2.gz DOEWGDIORUXBER-MRXNPFEDSA-N 1 2 388.269 2.463 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000277066433 532907236 /nfs/dbraw/zinc/90/72/36/532907236.db2.gz RVCKNTIFPRBFJB-ZIAGYGMSSA-N 1 2 395.301 2.185 20 0 GEADLO CS(=O)(=O)C1(C[NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000291709734 532907561 /nfs/dbraw/zinc/90/75/61/532907561.db2.gz ZSUMKHNLOBKKHC-UHFFFAOYSA-N 1 2 398.120 2.273 20 0 GEADLO CS(=O)(=O)C[C@@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000291707875 532907618 /nfs/dbraw/zinc/90/76/18/532907618.db2.gz GAPKYNUVVUDSHO-CYBMUJFWSA-N 1 2 386.543 2.027 20 0 GEADLO Cc1sc(=O)n(CCC(=O)NC2CC[NH+](Cc3cscn3)CC2)c1C ZINC000365260928 532909328 /nfs/dbraw/zinc/90/93/28/532909328.db2.gz ULPKGVSUUYCETI-UHFFFAOYSA-N 1 2 380.539 2.154 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000365305798 532909841 /nfs/dbraw/zinc/90/98/41/532909841.db2.gz BIECTIYZWHJFCY-UHFFFAOYSA-N 1 2 381.885 2.305 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000291880645 532910241 /nfs/dbraw/zinc/91/02/41/532910241.db2.gz LEXKMVOIGOCXTC-UHFFFAOYSA-N 1 2 380.246 2.011 20 0 GEADLO CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1Cl ZINC000365415544 532910672 /nfs/dbraw/zinc/91/06/72/532910672.db2.gz ACYDHCUKXYFPNI-AWEZNQCLSA-N 1 2 386.901 2.173 20 0 GEADLO CCOC(=O)c1ccc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1Cl ZINC000365415544 532910674 /nfs/dbraw/zinc/91/06/74/532910674.db2.gz ACYDHCUKXYFPNI-AWEZNQCLSA-N 1 2 386.901 2.173 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000365592752 532911559 /nfs/dbraw/zinc/91/15/59/532911559.db2.gz XAEDMANSMANBKM-SNVBAGLBSA-N 1 2 389.449 2.498 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000292279820 532914838 /nfs/dbraw/zinc/91/48/38/532914838.db2.gz JNWUDVAKQPZSPA-AWEZNQCLSA-N 1 2 396.329 2.223 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000292279820 532914839 /nfs/dbraw/zinc/91/48/39/532914839.db2.gz JNWUDVAKQPZSPA-AWEZNQCLSA-N 1 2 396.329 2.223 20 0 GEADLO C[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000292382779 532915710 /nfs/dbraw/zinc/91/57/10/532915710.db2.gz XMZHOOYNWXYIHI-IUODEOHRSA-N 1 2 380.432 2.359 20 0 GEADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000292382779 532915712 /nfs/dbraw/zinc/91/57/12/532915712.db2.gz XMZHOOYNWXYIHI-IUODEOHRSA-N 1 2 380.432 2.359 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cn2ccc(Br)cc2n1 ZINC000292110702 532913138 /nfs/dbraw/zinc/91/31/38/532913138.db2.gz WEBHHHSUDUIGGM-IUODEOHRSA-N 1 2 393.285 2.032 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O)c1ccsc1 ZINC000366082781 532914469 /nfs/dbraw/zinc/91/44/69/532914469.db2.gz DTDLKQJJZIYCQC-CVEARBPZSA-N 1 2 387.571 2.350 20 0 GEADLO C[C@H]1[C@@H](NC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CCS1(=O)=O ZINC000292840506 532919085 /nfs/dbraw/zinc/91/90/85/532919085.db2.gz YKJGCXJGINFGGF-DYEKYZERSA-N 1 2 386.543 2.072 20 0 GEADLO C[C@H]1[C@@H](NC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CCS1(=O)=O ZINC000292840506 532919087 /nfs/dbraw/zinc/91/90/87/532919087.db2.gz YKJGCXJGINFGGF-DYEKYZERSA-N 1 2 386.543 2.072 20 0 GEADLO CN(Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366464584 532917381 /nfs/dbraw/zinc/91/73/81/532917381.db2.gz UYLLXVINZXITLW-INIZCTEOSA-N 1 2 382.302 2.454 20 0 GEADLO CN(Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366464584 532917383 /nfs/dbraw/zinc/91/73/83/532917383.db2.gz UYLLXVINZXITLW-INIZCTEOSA-N 1 2 382.302 2.454 20 0 GEADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cscc3Br)C2)CC1 ZINC000292716215 532917957 /nfs/dbraw/zinc/91/79/57/532917957.db2.gz MKMGIMVAQGKVFF-CQSZACIVSA-N 1 2 386.359 2.292 20 0 GEADLO COc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1Br ZINC000366597348 532919381 /nfs/dbraw/zinc/91/93/81/532919381.db2.gz NHUWIZUNAMFWLW-CYBMUJFWSA-N 1 2 384.274 2.442 20 0 GEADLO COc1ccc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1Br ZINC000366597348 532919383 /nfs/dbraw/zinc/91/93/83/532919383.db2.gz NHUWIZUNAMFWLW-CYBMUJFWSA-N 1 2 384.274 2.442 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000366658477 532919847 /nfs/dbraw/zinc/91/98/47/532919847.db2.gz UFBQNKAANASGJG-STQMWFEESA-N 1 2 378.274 2.283 20 0 GEADLO Brc1ccccc1-n1nnnc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000366658477 532919848 /nfs/dbraw/zinc/91/98/48/532919848.db2.gz UFBQNKAANASGJG-STQMWFEESA-N 1 2 378.274 2.283 20 0 GEADLO C[S@](=O)c1ccc(CC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cc1 ZINC000366650791 532919949 /nfs/dbraw/zinc/91/99/49/532919949.db2.gz FDWQEKCUHVDZDT-VWLOTQADSA-N 1 2 377.535 2.158 20 0 GEADLO C[S@](=O)c1ccc(CC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cc1 ZINC000366650791 532919950 /nfs/dbraw/zinc/91/99/50/532919950.db2.gz FDWQEKCUHVDZDT-VWLOTQADSA-N 1 2 377.535 2.158 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@H]1c1cccc(Br)c1 ZINC000366719648 532920631 /nfs/dbraw/zinc/92/06/31/532920631.db2.gz HUQHINNKHXJOLR-LRDDRELGSA-N 1 2 394.313 2.308 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@H]1c1cccc(Br)c1 ZINC000366719648 532920633 /nfs/dbraw/zinc/92/06/33/532920633.db2.gz HUQHINNKHXJOLR-LRDDRELGSA-N 1 2 394.313 2.308 20 0 GEADLO CCOC(=O)c1csc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)n1 ZINC000292990752 532920858 /nfs/dbraw/zinc/92/08/58/532920858.db2.gz RXLRGAVRISAKKI-UHFFFAOYSA-N 1 2 379.404 2.210 20 0 GEADLO O=C1CO[C@H]2CC[N@@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C[C@@H]2N1 ZINC000366763221 532921169 /nfs/dbraw/zinc/92/11/69/532921169.db2.gz GBSHXZKTOYQJKS-HOTGVXAUSA-N 1 2 377.897 2.477 20 0 GEADLO O=C1CO[C@H]2CC[N@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C[C@@H]2N1 ZINC000366763221 532921170 /nfs/dbraw/zinc/92/11/70/532921170.db2.gz GBSHXZKTOYQJKS-HOTGVXAUSA-N 1 2 377.897 2.477 20 0 GEADLO O=C1CO[C@@H]2CC[N@@H+](Cc3ccc(Br)c4cccnc34)C[C@H]2N1 ZINC000366773572 532921222 /nfs/dbraw/zinc/92/12/22/532921222.db2.gz VITBARZYHYSZLQ-HUUCEWRRSA-N 1 2 376.254 2.087 20 0 GEADLO O=C1CO[C@@H]2CC[N@H+](Cc3ccc(Br)c4cccnc34)C[C@H]2N1 ZINC000366773572 532921224 /nfs/dbraw/zinc/92/12/24/532921224.db2.gz VITBARZYHYSZLQ-HUUCEWRRSA-N 1 2 376.254 2.087 20 0 GEADLO O=S(=O)(c1cc(Cl)ccc1Br)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367469407 532925108 /nfs/dbraw/zinc/92/51/08/532925108.db2.gz KBHYNTQCFNGBSV-SECBINFHSA-N 1 2 389.649 2.330 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000367475268 532925470 /nfs/dbraw/zinc/92/54/70/532925470.db2.gz VQGKCSDYCILPOZ-ZDUSSCGKSA-N 1 2 396.285 2.210 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000367475268 532925471 /nfs/dbraw/zinc/92/54/71/532925471.db2.gz VQGKCSDYCILPOZ-ZDUSSCGKSA-N 1 2 396.285 2.210 20 0 GEADLO CS(=O)(=O)c1ccc([C@H](O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000367872101 532928018 /nfs/dbraw/zinc/92/80/18/532928018.db2.gz WZEVWWFXLRNYMG-QGZVFWFLSA-N 1 2 383.901 2.311 20 0 GEADLO NC(=O)C[C@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000367943847 532928694 /nfs/dbraw/zinc/92/86/94/532928694.db2.gz JFOAXVAUMPUUFO-DYVFJYSZSA-N 1 2 394.313 2.310 20 0 GEADLO Cc1cnc(C2CC[NH+](CCS(=O)(=O)CC(=O)OC(C)(C)C)CC2)s1 ZINC000367982124 532928987 /nfs/dbraw/zinc/92/89/87/532928987.db2.gz HCQKGOGWNWZJJJ-UHFFFAOYSA-N 1 2 388.555 2.387 20 0 GEADLO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367986069 532929038 /nfs/dbraw/zinc/92/90/38/532929038.db2.gz HYJWDUFKDQNRMU-JTQLQIEISA-N 1 2 377.242 2.093 20 0 GEADLO Cc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367986069 532929039 /nfs/dbraw/zinc/92/90/39/532929039.db2.gz HYJWDUFKDQNRMU-JTQLQIEISA-N 1 2 377.242 2.093 20 0 GEADLO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367977982 532929190 /nfs/dbraw/zinc/92/91/90/532929190.db2.gz SMSKAYUSTUAYFY-SECBINFHSA-N 1 2 397.660 2.438 20 0 GEADLO O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367977982 532929191 /nfs/dbraw/zinc/92/91/91/532929191.db2.gz SMSKAYUSTUAYFY-SECBINFHSA-N 1 2 397.660 2.438 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000368010469 532929228 /nfs/dbraw/zinc/92/92/28/532929228.db2.gz BOICVYGODZYEMN-UHFFFAOYSA-N 1 2 386.568 2.186 20 0 GEADLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000368010469 532929230 /nfs/dbraw/zinc/92/92/30/532929230.db2.gz BOICVYGODZYEMN-UHFFFAOYSA-N 1 2 386.568 2.186 20 0 GEADLO Cc1cnn(C)c1C[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000368018436 532929291 /nfs/dbraw/zinc/92/92/91/532929291.db2.gz PPVRZMGBGHIWRD-UHFFFAOYSA-N 1 2 382.917 2.325 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC000368030958 532929511 /nfs/dbraw/zinc/92/95/11/532929511.db2.gz QTGMQAJQVJNPTB-GFCCVEGCSA-N 1 2 378.274 2.086 20 0 GEADLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC000368030958 532929513 /nfs/dbraw/zinc/92/95/13/532929513.db2.gz QTGMQAJQVJNPTB-GFCCVEGCSA-N 1 2 378.274 2.086 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000368063961 532929981 /nfs/dbraw/zinc/92/99/81/532929981.db2.gz OUHMQJGZANIANE-GXSJLCMTSA-N 1 2 375.778 2.365 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000368063961 532929983 /nfs/dbraw/zinc/92/99/83/532929983.db2.gz OUHMQJGZANIANE-GXSJLCMTSA-N 1 2 375.778 2.365 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368781302 532934392 /nfs/dbraw/zinc/93/43/92/532934392.db2.gz BZBMDWPLGZACCE-IUODEOHRSA-N 1 2 395.301 2.266 20 0 GEADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368781302 532934393 /nfs/dbraw/zinc/93/43/93/532934393.db2.gz BZBMDWPLGZACCE-IUODEOHRSA-N 1 2 395.301 2.266 20 0 GEADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2nn(C)cc2Br)CC1 ZINC000294026063 532934719 /nfs/dbraw/zinc/93/47/19/532934719.db2.gz FFIAWYVXGVJDPN-GFCCVEGCSA-N 1 2 378.274 2.097 20 0 GEADLO CCN(C(=O)[C@H](C)[N@@H+]1C[C@H](c2cccs2)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000369655070 532940215 /nfs/dbraw/zinc/94/02/15/532940215.db2.gz GMOAXQIXFQZZNK-QKPAOTATSA-N 1 2 384.567 2.350 20 0 GEADLO CCN(C(=O)[C@H](C)[N@H+]1C[C@H](c2cccs2)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000369655070 532940216 /nfs/dbraw/zinc/94/02/16/532940216.db2.gz GMOAXQIXFQZZNK-QKPAOTATSA-N 1 2 384.567 2.350 20 0 GEADLO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H](S(N)(=O)=O)C3)cs2)cc1 ZINC000370249179 532942713 /nfs/dbraw/zinc/94/27/13/532942713.db2.gz DDDTVQAJQZMDGX-INIZCTEOSA-N 1 2 381.523 2.462 20 0 GEADLO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H](S(N)(=O)=O)C3)cs2)cc1 ZINC000370249179 532942714 /nfs/dbraw/zinc/94/27/14/532942714.db2.gz DDDTVQAJQZMDGX-INIZCTEOSA-N 1 2 381.523 2.462 20 0 GEADLO Cc1cc(N2CCC(NC(=O)c3cncc(Br)c3)CC2)nc[nH+]1 ZINC000370268432 532942719 /nfs/dbraw/zinc/94/27/19/532942719.db2.gz KHPHGABTDYDKQC-UHFFFAOYSA-N 1 2 376.258 2.341 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)ccc1Br ZINC000370418964 532943423 /nfs/dbraw/zinc/94/34/23/532943423.db2.gz PXNRPMAIAMCXBS-LBPRGKRZSA-N 1 2 391.269 2.271 20 0 GEADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@H]1c1cccc(Br)c1 ZINC000369962581 532941467 /nfs/dbraw/zinc/94/14/67/532941467.db2.gz NWERXLQZJFOJIP-XPKDYRNWSA-N 1 2 394.313 2.308 20 0 GEADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@H]1c1cccc(Br)c1 ZINC000369962581 532941468 /nfs/dbraw/zinc/94/14/68/532941468.db2.gz NWERXLQZJFOJIP-XPKDYRNWSA-N 1 2 394.313 2.308 20 0 GEADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@H]1c1cccc(Br)c1 ZINC000369962578 532941570 /nfs/dbraw/zinc/94/15/70/532941570.db2.gz NWERXLQZJFOJIP-INWMFGNUSA-N 1 2 394.313 2.308 20 0 GEADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@H]1c1cccc(Br)c1 ZINC000369962578 532941571 /nfs/dbraw/zinc/94/15/71/532941571.db2.gz NWERXLQZJFOJIP-INWMFGNUSA-N 1 2 394.313 2.308 20 0 GEADLO Cn1cc(C[C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000370003996 532941710 /nfs/dbraw/zinc/94/17/10/532941710.db2.gz BAMCPIUQVQSGFC-BLLLJJGKSA-N 1 2 377.286 2.274 20 0 GEADLO Cn1cc(C[C@@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000370003996 532941711 /nfs/dbraw/zinc/94/17/11/532941711.db2.gz BAMCPIUQVQSGFC-BLLLJJGKSA-N 1 2 377.286 2.274 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000370732411 532945059 /nfs/dbraw/zinc/94/50/59/532945059.db2.gz KRCRWMMOZXQKNN-LLVKDONJSA-N 1 2 377.388 2.360 20 0 GEADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000370732411 532945060 /nfs/dbraw/zinc/94/50/60/532945060.db2.gz KRCRWMMOZXQKNN-LLVKDONJSA-N 1 2 377.388 2.360 20 0 GEADLO O=C(c1cc2c(s1)CCS(=O)(=O)C2)N1CC[NH+](C2CCCCC2)CC1 ZINC000370646397 532944660 /nfs/dbraw/zinc/94/46/60/532944660.db2.gz TYHOBLXCXVMXHQ-UHFFFAOYSA-N 1 2 382.551 2.310 20 0 GEADLO O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371442728 532948157 /nfs/dbraw/zinc/94/81/57/532948157.db2.gz KTZLXWPJZNIQLB-ZDUSSCGKSA-N 1 2 377.242 2.266 20 0 GEADLO C[N@@H+]1CCN(C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)C(=O)C1 ZINC000371669992 532949244 /nfs/dbraw/zinc/94/92/44/532949244.db2.gz JBGJFHLNDOTQBM-UHFFFAOYSA-N 1 2 376.309 2.434 20 0 GEADLO C[N@H+]1CCN(C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)C(=O)C1 ZINC000371669992 532949245 /nfs/dbraw/zinc/94/92/45/532949245.db2.gz JBGJFHLNDOTQBM-UHFFFAOYSA-N 1 2 376.309 2.434 20 0 GEADLO Cc1cn2nc(N3CCC[C@H](c4n[nH]cc4C[NH+]4CCOCC4)C3)sc2n1 ZINC000275504156 570694982 /nfs/dbraw/zinc/69/49/82/570694982.db2.gz CRVMUXNGVBCEPL-AWEZNQCLSA-N 1 2 387.513 2.039 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC000275686437 570697965 /nfs/dbraw/zinc/69/79/65/570697965.db2.gz MPYMRECAGIFIII-VHDGCEQUSA-N 1 2 387.434 2.173 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC000275686437 570697970 /nfs/dbraw/zinc/69/79/70/570697970.db2.gz MPYMRECAGIFIII-VHDGCEQUSA-N 1 2 387.434 2.173 20 0 GEADLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000275712906 570698828 /nfs/dbraw/zinc/69/88/28/570698828.db2.gz OFTPBINUAHKVBX-OAHLLOKOSA-N 1 2 389.450 2.393 20 0 GEADLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000275712906 570698832 /nfs/dbraw/zinc/69/88/32/570698832.db2.gz OFTPBINUAHKVBX-OAHLLOKOSA-N 1 2 389.450 2.393 20 0 GEADLO NC(=O)C1CC[NH+](c2ccc(Nc3ncc(-c4nn[nH]n4)cc3Cl)cc2)CC1 ZINC000737744575 598940277 /nfs/dbraw/zinc/94/02/77/598940277.db2.gz MIKVOIMRIHPXAU-UHFFFAOYSA-N 1 2 398.858 2.360 20 0 GEADLO CCc1nc([C@H](C)[NH2+][C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cs1 ZINC000736699371 598961164 /nfs/dbraw/zinc/96/11/64/598961164.db2.gz NULYBPYBHFWNOW-FZMZJTMJSA-N 1 2 383.481 2.342 20 0 GEADLO O=C(c1ccc(-c2nn[nH]n2)nc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000738257711 599020452 /nfs/dbraw/zinc/02/04/52/599020452.db2.gz CFLURYQXCNIDCN-UHFFFAOYSA-N 1 2 399.458 2.373 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)n2)C1 ZINC000736277008 599023182 /nfs/dbraw/zinc/02/31/82/599023182.db2.gz KKXOHSJECPZIAM-NSHDSACASA-N 1 2 384.469 2.202 20 0 GEADLO OCC[C@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000823718425 599038207 /nfs/dbraw/zinc/03/82/07/599038207.db2.gz SVMLXSNSNLVMOR-SNVBAGLBSA-N 1 2 376.367 2.225 20 0 GEADLO C[N@H+](CCOc1ccccc1Cl)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736803731 599066910 /nfs/dbraw/zinc/06/69/10/599066910.db2.gz AIBHVLHLCJVGJC-INIZCTEOSA-N 1 2 386.843 2.057 20 0 GEADLO C[N@@H+](CCOc1ccccc1Cl)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736803731 599066913 /nfs/dbraw/zinc/06/69/13/599066913.db2.gz AIBHVLHLCJVGJC-INIZCTEOSA-N 1 2 386.843 2.057 20 0 GEADLO NC(=O)[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737268 599087856 /nfs/dbraw/zinc/08/78/56/599087856.db2.gz QHVQFTLGVWHSHU-AWEZNQCLSA-N 1 2 376.342 2.202 20 0 GEADLO Cc1cc(NC(=O)CN(C)c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)no1 ZINC000737272732 599121993 /nfs/dbraw/zinc/12/19/93/599121993.db2.gz YNFLNFUBEDXBFF-UHFFFAOYSA-N 1 2 378.396 2.095 20 0 GEADLO CCC(CC)[C@@H](C(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCOCC1 ZINC000736338598 599238444 /nfs/dbraw/zinc/23/84/44/599238444.db2.gz YOXVVTHTNYTCNI-KSSFIOAISA-N 1 2 386.500 2.181 20 0 GEADLO C[NH+]1CCC(CNC(=O)Nc2ccccc2CC(=O)[O-])([NH+]2CCCCC2)CC1 ZINC000818478234 597335101 /nfs/dbraw/zinc/33/51/01/597335101.db2.gz HWWIDYRSQZGETD-UHFFFAOYSA-N 1 2 388.512 2.386 20 0 GEADLO O=C(C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)Nc1cccc(F)c1 ZINC000737877323 598249657 /nfs/dbraw/zinc/24/96/57/598249657.db2.gz WBYJOUVGKYKGGW-UHFFFAOYSA-N 1 2 396.426 2.488 20 0 GEADLO O=C(CC1CCCCC1)N1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737815589 598255254 /nfs/dbraw/zinc/25/52/54/598255254.db2.gz YEMCVVGMCZOCTB-UHFFFAOYSA-N 1 2 398.511 2.360 20 0 GEADLO CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000735661127 598277765 /nfs/dbraw/zinc/27/77/65/598277765.db2.gz RMZMSNWCMBLABI-UHFFFAOYSA-N 1 2 383.460 2.442 20 0 GEADLO Cc1nccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503786 598356412 /nfs/dbraw/zinc/35/64/12/598356412.db2.gz YYSDNGBHQFNIDI-DYVFJYSZSA-N 1 2 380.456 2.036 20 0 GEADLO Cc1nccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503786 598356414 /nfs/dbraw/zinc/35/64/14/598356414.db2.gz YYSDNGBHQFNIDI-DYVFJYSZSA-N 1 2 380.456 2.036 20 0 GEADLO O=C(NCCn1cc[nH+]c1)c1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1 ZINC000738094458 598394910 /nfs/dbraw/zinc/39/49/10/598394910.db2.gz IEGBNFQHAWXWAE-UHFFFAOYSA-N 1 2 393.382 2.425 20 0 GEADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736291130 598459895 /nfs/dbraw/zinc/45/98/95/598459895.db2.gz DEWAIWVKGMNYJJ-XFQXTVEOSA-N 1 2 395.463 2.068 20 0 GEADLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000736291130 598459897 /nfs/dbraw/zinc/45/98/97/598459897.db2.gz DEWAIWVKGMNYJJ-XFQXTVEOSA-N 1 2 395.463 2.068 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@H](c2ccccc2F)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737843188 598461315 /nfs/dbraw/zinc/46/13/15/598461315.db2.gz IWNCRDBUEJVOJV-SFHVURJKSA-N 1 2 396.426 2.408 20 0 GEADLO O=C(CC[N@H+]1CCO[C@H](c2ccccc2F)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737843188 598461316 /nfs/dbraw/zinc/46/13/16/598461316.db2.gz IWNCRDBUEJVOJV-SFHVURJKSA-N 1 2 396.426 2.408 20 0 GEADLO C[N@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1nccn1CC(F)(F)F ZINC000736804020 598509800 /nfs/dbraw/zinc/50/98/00/598509800.db2.gz GBIYLKJPFGSSRL-UHFFFAOYSA-N 1 2 381.362 2.136 20 0 GEADLO C[N@@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1nccn1CC(F)(F)F ZINC000736804020 598509801 /nfs/dbraw/zinc/50/98/01/598509801.db2.gz GBIYLKJPFGSSRL-UHFFFAOYSA-N 1 2 381.362 2.136 20 0 GEADLO CO[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C1 ZINC000736963382 598554757 /nfs/dbraw/zinc/55/47/57/598554757.db2.gz VDRSYBOYBJJRLO-LBPRGKRZSA-N 1 2 390.513 2.246 20 0 GEADLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C1 ZINC000736963382 598554759 /nfs/dbraw/zinc/55/47/59/598554759.db2.gz VDRSYBOYBJJRLO-LBPRGKRZSA-N 1 2 390.513 2.246 20 0 GEADLO O=C(NCCn1cc[nH+]c1)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738095181 598649749 /nfs/dbraw/zinc/64/97/49/598649749.db2.gz PMKGNODXRYQHLS-UHFFFAOYSA-N 1 2 375.392 2.286 20 0 GEADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736911022 599444421 /nfs/dbraw/zinc/44/44/21/599444421.db2.gz ZIWWNFNDXBOUNY-GOSISDBHSA-N 1 2 381.436 2.482 20 0 GEADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736911022 599444424 /nfs/dbraw/zinc/44/44/24/599444424.db2.gz ZIWWNFNDXBOUNY-GOSISDBHSA-N 1 2 381.436 2.482 20 0 GEADLO Cc1cccc2c(N[C@@H]3CCN(Cc4ccccc4)C3=O)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822335376 599501572 /nfs/dbraw/zinc/50/15/72/599501572.db2.gz KLHXHIZQHFQGRQ-GOSISDBHSA-N 1 2 399.458 2.358 20 0 GEADLO CN(C[C@@H]1CCCN1c1cccnn1)c1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000821596731 599532115 /nfs/dbraw/zinc/53/21/15/599532115.db2.gz SYMACESYEPWZOK-AWEZNQCLSA-N 1 2 387.451 2.310 20 0 GEADLO Cc1cnn(C[C@@H]2CN(c3c(-c4nn[nH]n4)c[nH+]c4c(C)cccc43)CCO2)c1 ZINC000822403072 599540196 /nfs/dbraw/zinc/54/01/96/599540196.db2.gz KDNNLNCSGXDPAV-HNNXBMFYSA-N 1 2 390.451 2.134 20 0 GEADLO CC(C)(C)OC(=O)N1CC[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000819933601 599549122 /nfs/dbraw/zinc/54/91/22/599549122.db2.gz XEOSOIJQSNPSAV-LBPRGKRZSA-N 1 2 381.440 2.258 20 0 GEADLO C[C@](O)(CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)c1ccc(F)cc1F ZINC000820467900 599557046 /nfs/dbraw/zinc/55/70/46/599557046.db2.gz OIPNVMYVMOWGFU-IBGZPJMESA-N 1 2 382.374 2.435 20 0 GEADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821651592 599639500 /nfs/dbraw/zinc/63/95/00/599639500.db2.gz BZPWTTJEIXKTQF-SFHVURJKSA-N 1 2 394.435 2.041 20 0 GEADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821651592 599639501 /nfs/dbraw/zinc/63/95/01/599639501.db2.gz BZPWTTJEIXKTQF-SFHVURJKSA-N 1 2 394.435 2.041 20 0 GEADLO CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)CC1 ZINC000737115655 599929057 /nfs/dbraw/zinc/92/90/57/599929057.db2.gz OTTQFTWNLWVYSH-HNNXBMFYSA-N 1 2 377.485 2.305 20 0 GEADLO O=C([O-])[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000238091724 600438259 /nfs/dbraw/zinc/43/82/59/600438259.db2.gz AFDOQGXCQDCUQZ-HXUWFJFHSA-N 1 2 381.476 2.033 20 0 GEADLO O=C([O-])[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000238091724 600438261 /nfs/dbraw/zinc/43/82/61/600438261.db2.gz AFDOQGXCQDCUQZ-HXUWFJFHSA-N 1 2 381.476 2.033 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)c1C ZINC000826167208 607455916 /nfs/dbraw/zinc/45/59/16/607455916.db2.gz UGLYOHWSQRXHCH-UHFFFAOYSA-N 1 2 393.451 2.376 20 0 GEADLO C[C@@H]1COCCC[N@@H+]1CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000825005607 607474707 /nfs/dbraw/zinc/47/47/07/607474707.db2.gz AQBFXCKMZGMLMY-GFCCVEGCSA-N 1 2 390.513 2.246 20 0 GEADLO C[C@@H]1COCCC[N@H+]1CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000825005607 607474708 /nfs/dbraw/zinc/47/47/08/607474708.db2.gz AQBFXCKMZGMLMY-GFCCVEGCSA-N 1 2 390.513 2.246 20 0 GEADLO O=C(CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407583 607478066 /nfs/dbraw/zinc/47/80/66/607478066.db2.gz TTWPXNZTZFXSEV-DNVCBOLYSA-N 1 2 395.511 2.144 20 0 GEADLO O=C(CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407583 607478068 /nfs/dbraw/zinc/47/80/68/607478068.db2.gz TTWPXNZTZFXSEV-DNVCBOLYSA-N 1 2 395.511 2.144 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000825977702 601044944 /nfs/dbraw/zinc/04/49/44/601044944.db2.gz MREJLAXFMOZCEY-PKOBYXMFSA-N 1 2 387.524 2.152 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000825977702 601044947 /nfs/dbraw/zinc/04/49/47/601044947.db2.gz MREJLAXFMOZCEY-PKOBYXMFSA-N 1 2 387.524 2.152 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825977702 601044949 /nfs/dbraw/zinc/04/49/49/601044949.db2.gz MREJLAXFMOZCEY-PKOBYXMFSA-N 1 2 387.524 2.152 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000825977702 601044954 /nfs/dbraw/zinc/04/49/54/601044954.db2.gz MREJLAXFMOZCEY-PKOBYXMFSA-N 1 2 387.524 2.152 20 0 GEADLO COc1ccc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)cc1-c1nn[nH]n1 ZINC000821821804 607492429 /nfs/dbraw/zinc/49/24/29/607492429.db2.gz XXWSFMFKKMQEFV-KBPBESRZSA-N 1 2 395.467 2.496 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000827124198 601512497 /nfs/dbraw/zinc/51/24/97/601512497.db2.gz LJKQFRQUFBREBH-FXAWDEMLSA-N 1 2 387.524 2.107 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000827124198 601512499 /nfs/dbraw/zinc/51/24/99/601512499.db2.gz LJKQFRQUFBREBH-FXAWDEMLSA-N 1 2 387.524 2.107 20 0 GEADLO COc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826195139 607514759 /nfs/dbraw/zinc/51/47/59/607514759.db2.gz JDUJTYYNLFOJTF-MJGOQNOKSA-N 1 2 395.463 2.200 20 0 GEADLO COc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826195139 607514760 /nfs/dbraw/zinc/51/47/60/607514760.db2.gz JDUJTYYNLFOJTF-MJGOQNOKSA-N 1 2 395.463 2.200 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C(=O)[O-])C(C)C)CC2)cc1 ZINC000827123730 601825257 /nfs/dbraw/zinc/82/52/57/601825257.db2.gz BGQBOQRZCHLKJI-FQEVSTJZSA-N 1 2 375.513 2.153 20 0 GEADLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](CCC[NH+]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000738717550 603408567 /nfs/dbraw/zinc/40/85/67/603408567.db2.gz RJCJLYOVXYXHPH-HOTGVXAUSA-N 1 2 384.521 2.098 20 0 GEADLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](CCC[NH+]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000738717550 603408570 /nfs/dbraw/zinc/40/85/70/603408570.db2.gz RJCJLYOVXYXHPH-HOTGVXAUSA-N 1 2 384.521 2.098 20 0 GEADLO CC(C)(C)OC(=O)N[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000738717550 603408574 /nfs/dbraw/zinc/40/85/74/603408574.db2.gz RJCJLYOVXYXHPH-HOTGVXAUSA-N 1 2 384.521 2.098 20 0 GEADLO CC(C)(C)OC(=O)N[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000738717550 603408577 /nfs/dbraw/zinc/40/85/77/603408577.db2.gz RJCJLYOVXYXHPH-HOTGVXAUSA-N 1 2 384.521 2.098 20 0 GEADLO Cc1cc(NC(=O)CSc2nc(C)c(C)c(C)c2-c2nn[nH]n2)c(C)c[nH+]1 ZINC000826269922 607632909 /nfs/dbraw/zinc/63/29/09/607632909.db2.gz CBOYWRXZTVMIKF-UHFFFAOYSA-N 1 2 383.481 2.352 20 0 GEADLO O=C([O-])N1CCc2cccc(C[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)c21 ZINC000832086850 603865366 /nfs/dbraw/zinc/86/53/66/603865366.db2.gz JDAQQWNQNNMLLM-JOCHJYFZSA-N 1 2 381.476 2.454 20 0 GEADLO O=C([O-])N1CCc2cccc(C[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)c21 ZINC000832086850 603865370 /nfs/dbraw/zinc/86/53/70/603865370.db2.gz JDAQQWNQNNMLLM-JOCHJYFZSA-N 1 2 381.476 2.454 20 0 GEADLO CC(C)[NH+]1CCC(N2CC[NH+](Cn3ncc4cc(C(=O)[O-])ccc43)CC2)CC1 ZINC000826961580 604810697 /nfs/dbraw/zinc/81/06/97/604810697.db2.gz UDKAEWYVWLGEGL-UHFFFAOYSA-N 1 2 385.512 2.182 20 0 GEADLO C[C@]1([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCC[C@H]1C(=O)[O-] ZINC000833569171 604819444 /nfs/dbraw/zinc/81/94/44/604819444.db2.gz JCHAFJHXVWICIT-RXVVDRJESA-N 1 2 389.496 2.080 20 0 GEADLO Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000826295268 607717265 /nfs/dbraw/zinc/71/72/65/607717265.db2.gz ZQVATLVQLXDJBN-UHFFFAOYSA-N 1 2 392.810 2.234 20 0 GEADLO O=C([O-])N1CC[C@@]2(C1)C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1O2 ZINC000834081757 605632446 /nfs/dbraw/zinc/63/24/46/605632446.db2.gz BWBYBKMEHQSKAF-RXVVDRJESA-N 1 2 389.496 2.069 20 0 GEADLO O=C([O-])N[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000834157854 605791946 /nfs/dbraw/zinc/79/19/46/605791946.db2.gz IQMOQULEAYIJJO-DZFGPLHGSA-N 1 2 381.476 2.449 20 0 GEADLO O=C([O-])N[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000834157854 605791949 /nfs/dbraw/zinc/79/19/49/605791949.db2.gz IQMOQULEAYIJJO-DZFGPLHGSA-N 1 2 381.476 2.449 20 0 GEADLO CCN1CC[NH+](Cc2ccccc2CNc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000821277226 606041998 /nfs/dbraw/zinc/04/19/98/606041998.db2.gz SBBPPWKKHRWUDX-UHFFFAOYSA-N 1 2 378.484 2.011 20 0 GEADLO Cc1sc(NC(=O)C[N@H+]2CCN(C)c3ccccc3C2)c(-c2nn[nH]n2)c1C ZINC000822556468 606200558 /nfs/dbraw/zinc/20/05/58/606200558.db2.gz BYKSRAFDMRMOCE-UHFFFAOYSA-N 1 2 397.508 2.436 20 0 GEADLO Cc1sc(NC(=O)C[N@@H+]2CCN(C)c3ccccc3C2)c(-c2nn[nH]n2)c1C ZINC000822556468 606200560 /nfs/dbraw/zinc/20/05/60/606200560.db2.gz BYKSRAFDMRMOCE-UHFFFAOYSA-N 1 2 397.508 2.436 20 0 GEADLO Cc1ccc(N2CCC(C(=O)Nc3cc(-c4nn[nH]n4)ccc3O)CC2)[nH+]c1 ZINC000822240978 606292950 /nfs/dbraw/zinc/29/29/50/606292950.db2.gz HHEZKPYYWDXJDF-UHFFFAOYSA-N 1 2 379.424 2.131 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821277792 606309356 /nfs/dbraw/zinc/30/93/56/606309356.db2.gz ZAEJSMKXFOYMCP-LJQANCHMSA-N 1 2 393.447 2.298 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821277792 606309357 /nfs/dbraw/zinc/30/93/57/606309357.db2.gz ZAEJSMKXFOYMCP-LJQANCHMSA-N 1 2 393.447 2.298 20 0 GEADLO Cc1cnc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)s1 ZINC000822389522 606310143 /nfs/dbraw/zinc/31/01/43/606310143.db2.gz ZNIUBBLPCAYYJO-KOLCDFICSA-N 1 2 375.483 2.149 20 0 GEADLO c1sc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1-c1nn[nH]n1 ZINC000823751282 606471415 /nfs/dbraw/zinc/47/14/15/606471415.db2.gz DHVNAHIUIFFVKJ-UHFFFAOYSA-N 1 2 395.448 2.477 20 0 GEADLO O=C(C[N@H+](CCc1ccccc1)[C@H]1CCOC1)Nc1sccc1-c1nn[nH]n1 ZINC000822993714 606526135 /nfs/dbraw/zinc/52/61/35/606526135.db2.gz WOJDIPTWNXMTMF-HNNXBMFYSA-N 1 2 398.492 2.200 20 0 GEADLO O=C(C[N@@H+](CCc1ccccc1)[C@H]1CCOC1)Nc1sccc1-c1nn[nH]n1 ZINC000822993714 606526138 /nfs/dbraw/zinc/52/61/38/606526138.db2.gz WOJDIPTWNXMTMF-HNNXBMFYSA-N 1 2 398.492 2.200 20 0 GEADLO O=C(Nc1ccc(Cl)cn1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823331598 606611856 /nfs/dbraw/zinc/61/18/56/606611856.db2.gz FULYJFPZZKIDQY-UHFFFAOYSA-N 1 2 398.858 2.265 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823266312 606671710 /nfs/dbraw/zinc/67/17/10/606671710.db2.gz RXPDFFQSJVMCNJ-UHFFFAOYSA-N 1 2 399.405 2.460 20 0 GEADLO O=C(C1CCCC1)N1CC[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000822916984 606792154 /nfs/dbraw/zinc/79/21/54/606792154.db2.gz KPPZVPUZZOJVPT-AWEZNQCLSA-N 1 2 377.452 2.040 20 0 GEADLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821615610 606856019 /nfs/dbraw/zinc/85/60/19/606856019.db2.gz FKIXEQOAGVWLFU-LJQANCHMSA-N 1 2 375.436 2.218 20 0 GEADLO C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821615610 606856020 /nfs/dbraw/zinc/85/60/20/606856020.db2.gz FKIXEQOAGVWLFU-LJQANCHMSA-N 1 2 375.436 2.218 20 0 GEADLO COCC[N@H+](Cc1ccc(C(=O)OC)s1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821690575 606880955 /nfs/dbraw/zinc/88/09/55/606880955.db2.gz QRUBDOJJZNKPJX-UHFFFAOYSA-N 1 2 387.465 2.363 20 0 GEADLO COCC[N@@H+](Cc1ccc(C(=O)OC)s1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821690575 606880956 /nfs/dbraw/zinc/88/09/56/606880956.db2.gz QRUBDOJJZNKPJX-UHFFFAOYSA-N 1 2 387.465 2.363 20 0 GEADLO O[C@@H](C[C@@H]1COCC[N@@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823672375 606915450 /nfs/dbraw/zinc/91/54/50/606915450.db2.gz DHWDBWREYRYYOW-AEFFLSMTSA-N 1 2 399.451 2.053 20 0 GEADLO O[C@@H](C[C@@H]1COCC[N@H+]1CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000823672375 606915452 /nfs/dbraw/zinc/91/54/52/606915452.db2.gz DHWDBWREYRYYOW-AEFFLSMTSA-N 1 2 399.451 2.053 20 0 GEADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000823673735 606915998 /nfs/dbraw/zinc/91/59/98/606915998.db2.gz MZGDNZZWFDYBOA-PKOBYXMFSA-N 1 2 383.427 2.330 20 0 GEADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000823673735 606916000 /nfs/dbraw/zinc/91/60/00/606916000.db2.gz MZGDNZZWFDYBOA-PKOBYXMFSA-N 1 2 383.427 2.330 20 0 GEADLO COc1cccc(OCCN2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000821877291 607076677 /nfs/dbraw/zinc/07/66/77/607076677.db2.gz GNVWDOJCGIRAMS-UHFFFAOYSA-N 1 2 394.479 2.072 20 0 GEADLO COc1cccc(OCC[NH+]2CCN(Cc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000821877291 607076679 /nfs/dbraw/zinc/07/66/79/607076679.db2.gz GNVWDOJCGIRAMS-UHFFFAOYSA-N 1 2 394.479 2.072 20 0 GEADLO COc1cccc([C@H]2C[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000821864166 607076985 /nfs/dbraw/zinc/07/69/85/607076985.db2.gz UKQLGHDUWAUVNT-LJQANCHMSA-N 1 2 381.436 2.328 20 0 GEADLO COc1cccc([C@H]2C[N@@H+](CCOc3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000821864166 607076986 /nfs/dbraw/zinc/07/69/86/607076986.db2.gz UKQLGHDUWAUVNT-LJQANCHMSA-N 1 2 381.436 2.328 20 0 GEADLO C[C@H]1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000820717290 607092867 /nfs/dbraw/zinc/09/28/67/607092867.db2.gz OYDSUAOROZFLNC-XJKSGUPXSA-N 1 2 383.481 2.265 20 0 GEADLO C[N@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821593972 607101214 /nfs/dbraw/zinc/10/12/14/607101214.db2.gz RZRXOBQAJJAVHP-UHFFFAOYSA-N 1 2 386.485 2.086 20 0 GEADLO C[N@@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821593972 607101216 /nfs/dbraw/zinc/10/12/16/607101216.db2.gz RZRXOBQAJJAVHP-UHFFFAOYSA-N 1 2 386.485 2.086 20 0 GEADLO c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000823767846 607130564 /nfs/dbraw/zinc/13/05/64/607130564.db2.gz YUROVYAYDVWAFZ-UHFFFAOYSA-N 1 2 389.448 2.323 20 0 GEADLO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000823314997 607189613 /nfs/dbraw/zinc/18/96/13/607189613.db2.gz WBARREMTEWKBJJ-KRWDZBQOSA-N 1 2 398.854 2.360 20 0 GEADLO O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000823314997 607189614 /nfs/dbraw/zinc/18/96/14/607189614.db2.gz WBARREMTEWKBJJ-KRWDZBQOSA-N 1 2 398.854 2.360 20 0 GEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000823223932 607202727 /nfs/dbraw/zinc/20/27/27/607202727.db2.gz LLORQKOSYJTLSO-UHFFFAOYSA-N 1 2 386.847 2.417 20 0 GEADLO Cc1cccc([C@H](CNc2nc(C)ccc2-c2nn[nH]n2)[NH+]2CCOCC2)c1 ZINC000822289520 607227516 /nfs/dbraw/zinc/22/75/16/607227516.db2.gz YISZRJLPBQEJTN-SFHVURJKSA-N 1 2 379.468 2.364 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCc2nccs2)c(-c2nn[nH]n2)c1C ZINC000826342141 607802574 /nfs/dbraw/zinc/80/25/74/607802574.db2.gz YZNFXCUUVNQSGW-SNVBAGLBSA-N 1 2 375.458 2.035 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCc2nccs2)c(-c2nn[nH]n2)c1C ZINC000826342141 607802575 /nfs/dbraw/zinc/80/25/75/607802575.db2.gz YZNFXCUUVNQSGW-SNVBAGLBSA-N 1 2 375.458 2.035 20 0 GEADLO COc1ccc(Cn2c3ccccc3[nH+]c2NC[C@H](C)O)cc1-c1nn[nH]n1 ZINC000826208631 607972028 /nfs/dbraw/zinc/97/20/28/607972028.db2.gz SSHBITKHAPGRDL-LBPRGKRZSA-N 1 2 379.424 2.066 20 0 GEADLO Cn1c2ccc(NS(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc2[nH+]c1C1CC1 ZINC000826355375 608017337 /nfs/dbraw/zinc/01/73/37/608017337.db2.gz WWMUWCKJVQWDTO-UHFFFAOYSA-N 1 2 395.448 2.432 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000826029166 608041283 /nfs/dbraw/zinc/04/12/83/608041283.db2.gz PUTRXSNCXVACAE-ZBFHGGJFSA-N 1 2 383.843 2.090 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000826029166 608041284 /nfs/dbraw/zinc/04/12/84/608041284.db2.gz PUTRXSNCXVACAE-ZBFHGGJFSA-N 1 2 383.843 2.090 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CCO2)c1 ZINC000826513701 608052749 /nfs/dbraw/zinc/05/27/49/608052749.db2.gz TXTHGEQRRSGGDA-QGZVFWFLSA-N 1 2 392.467 2.225 20 0 GEADLO c1cc(-c2nn[nH]n2)cc([C@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)CCO2)c1 ZINC000826513701 608052750 /nfs/dbraw/zinc/05/27/50/608052750.db2.gz TXTHGEQRRSGGDA-QGZVFWFLSA-N 1 2 392.467 2.225 20 0 GEADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736290782 608065308 /nfs/dbraw/zinc/06/53/08/608065308.db2.gz JONCHCPXSJJHQG-CQSZACIVSA-N 1 2 388.472 2.187 20 0 GEADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736290782 608065309 /nfs/dbraw/zinc/06/53/09/608065309.db2.gz JONCHCPXSJJHQG-CQSZACIVSA-N 1 2 388.472 2.187 20 0 GEADLO O[C@@H](C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)c(F)c1 ZINC000826503461 608066791 /nfs/dbraw/zinc/06/67/91/608066791.db2.gz YAYJUJBBRPKDCU-ZWKOTPCHSA-N 1 2 387.390 2.252 20 0 GEADLO O[C@@H](C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)c1ccc(F)c(F)c1 ZINC000826503461 608066792 /nfs/dbraw/zinc/06/67/92/608066792.db2.gz YAYJUJBBRPKDCU-ZWKOTPCHSA-N 1 2 387.390 2.252 20 0 GEADLO c1cn(-c2ccc(C[N@@H+]3CCO[C@@H](c4cccc(-c5nn[nH]n5)c4)C3)cn2)cn1 ZINC000826513367 608069241 /nfs/dbraw/zinc/06/92/41/608069241.db2.gz JTXRYCFTPITIHR-GOSISDBHSA-N 1 2 388.435 2.021 20 0 GEADLO c1cn(-c2ccc(C[N@H+]3CCO[C@@H](c4cccc(-c5nn[nH]n5)c4)C3)cn2)cn1 ZINC000826513367 608069242 /nfs/dbraw/zinc/06/92/42/608069242.db2.gz JTXRYCFTPITIHR-GOSISDBHSA-N 1 2 388.435 2.021 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000826175460 608079222 /nfs/dbraw/zinc/07/92/22/608079222.db2.gz GGUKWVNEPPLTKD-GOSISDBHSA-N 1 2 394.479 2.243 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000826175460 608079223 /nfs/dbraw/zinc/07/92/23/608079223.db2.gz GGUKWVNEPPLTKD-GOSISDBHSA-N 1 2 394.479 2.243 20 0 GEADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028536 608121354 /nfs/dbraw/zinc/12/13/54/608121354.db2.gz BVHQGSLSFRCOGU-IAGOWNOFSA-N 1 2 384.390 2.320 20 0 GEADLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028536 608121355 /nfs/dbraw/zinc/12/13/55/608121355.db2.gz BVHQGSLSFRCOGU-IAGOWNOFSA-N 1 2 384.390 2.320 20 0 GEADLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ncccc2-c2nn[nH]n2)c2ccc(Cl)cc2)C1 ZINC000826044617 608235233 /nfs/dbraw/zinc/23/52/33/608235233.db2.gz IJOSAPNGDRBZJT-HOTGVXAUSA-N 1 2 385.859 2.399 20 0 GEADLO C[N@H+]1CCO[C@H]([C@@H](Nc2ncccc2-c2nn[nH]n2)c2ccc(Cl)cc2)C1 ZINC000826044617 608235235 /nfs/dbraw/zinc/23/52/35/608235235.db2.gz IJOSAPNGDRBZJT-HOTGVXAUSA-N 1 2 385.859 2.399 20 0 GEADLO CCOCC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000825594743 608268074 /nfs/dbraw/zinc/26/80/74/608268074.db2.gz PZYYCIVTPSVBAM-GFCCVEGCSA-N 1 2 392.529 2.492 20 0 GEADLO CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000825594743 608268076 /nfs/dbraw/zinc/26/80/76/608268076.db2.gz PZYYCIVTPSVBAM-GFCCVEGCSA-N 1 2 392.529 2.492 20 0 GEADLO c1ccc(NC[C@@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)C2)[nH+]c1 ZINC000826522091 608281083 /nfs/dbraw/zinc/28/10/83/608281083.db2.gz LTZHQPQIHFODMU-AWEZNQCLSA-N 1 2 376.468 2.474 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000826169499 608372173 /nfs/dbraw/zinc/37/21/73/608372173.db2.gz UWAGHWDRGGPFNZ-ZDUSSCGKSA-N 1 2 388.472 2.317 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000826169499 608372174 /nfs/dbraw/zinc/37/21/74/608372174.db2.gz UWAGHWDRGGPFNZ-ZDUSSCGKSA-N 1 2 388.472 2.317 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000826169498 608372357 /nfs/dbraw/zinc/37/23/57/608372357.db2.gz UWAGHWDRGGPFNZ-CYBMUJFWSA-N 1 2 388.472 2.317 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000826169498 608372359 /nfs/dbraw/zinc/37/23/59/608372359.db2.gz UWAGHWDRGGPFNZ-CYBMUJFWSA-N 1 2 388.472 2.317 20 0 GEADLO O=C(c1cc[nH]c(=O)c1Br)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000446238979 649975092 /nfs/dbraw/zinc/97/50/92/649975092.db2.gz QYXMVXPWNSARJC-UHFFFAOYSA-N 1 2 392.253 2.213 20 0 GEADLO CC(C)CCOCCNC(=O)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824249919 608461755 /nfs/dbraw/zinc/46/17/55/608461755.db2.gz XSFRNQIZVOTFQS-UHFFFAOYSA-N 1 2 398.511 2.135 20 0 GEADLO CC(C)CCOCCNC(=O)C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824249919 608461756 /nfs/dbraw/zinc/46/17/56/608461756.db2.gz XSFRNQIZVOTFQS-UHFFFAOYSA-N 1 2 398.511 2.135 20 0 GEADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826296703 608468045 /nfs/dbraw/zinc/46/80/45/608468045.db2.gz GIHOMNROEVJKAJ-CQSZACIVSA-N 1 2 375.440 2.310 20 0 GEADLO c1cc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc2c1COC2 ZINC000826513951 608502809 /nfs/dbraw/zinc/50/28/09/608502809.db2.gz BSDBHCHNPOAHQR-UHFFFAOYSA-N 1 2 376.464 2.215 20 0 GEADLO Cn1nc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c2ccccc21 ZINC000826366023 608595762 /nfs/dbraw/zinc/59/57/62/608595762.db2.gz PASLMMMUPPXKQR-UHFFFAOYSA-N 1 2 392.442 2.215 20 0 GEADLO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000826519515 608602641 /nfs/dbraw/zinc/60/26/41/608602641.db2.gz BLETWNOKLIYEJC-UHFFFAOYSA-N 1 2 397.446 2.258 20 0 GEADLO c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000826519515 608602642 /nfs/dbraw/zinc/60/26/42/608602642.db2.gz BLETWNOKLIYEJC-UHFFFAOYSA-N 1 2 397.446 2.258 20 0 GEADLO CC(C)c1noc([C@@H](C)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)n1 ZINC000824364741 608685549 /nfs/dbraw/zinc/68/55/49/608685549.db2.gz SLKRPQKYMRTXLC-GFCCVEGCSA-N 1 2 388.501 2.313 20 0 GEADLO C[C@@H](c1nc(C2CC2)no1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824778016 608686298 /nfs/dbraw/zinc/68/62/98/608686298.db2.gz MQHAJAWFPMPRHJ-NSHDSACASA-N 1 2 386.485 2.067 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000824999823 608839753 /nfs/dbraw/zinc/83/97/53/608839753.db2.gz KJNFFIMAAMMFDK-LLVKDONJSA-N 1 2 388.838 2.160 20 0 GEADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000824999823 608839757 /nfs/dbraw/zinc/83/97/57/608839757.db2.gz KJNFFIMAAMMFDK-LLVKDONJSA-N 1 2 388.838 2.160 20 0 GEADLO COc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1OC ZINC000826216263 608853735 /nfs/dbraw/zinc/85/37/35/608853735.db2.gz QOGADUWPBKWVLV-GOSISDBHSA-N 1 2 381.436 2.457 20 0 GEADLO COc1cccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1OC ZINC000826216263 608853738 /nfs/dbraw/zinc/85/37/38/608853738.db2.gz QOGADUWPBKWVLV-GOSISDBHSA-N 1 2 381.436 2.457 20 0 GEADLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc(OC)c1 ZINC000826179609 608853758 /nfs/dbraw/zinc/85/37/58/608853758.db2.gz WEIZAYQHSRWYPR-IBGZPJMESA-N 1 2 381.436 2.457 20 0 GEADLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc(OC)c1 ZINC000826179609 608853760 /nfs/dbraw/zinc/85/37/60/608853760.db2.gz WEIZAYQHSRWYPR-IBGZPJMESA-N 1 2 381.436 2.457 20 0 GEADLO c1[nH]nc(-c2cccnc2)c1C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826525342 608856080 /nfs/dbraw/zinc/85/60/80/608856080.db2.gz GEMJPJIICIATEU-GOSISDBHSA-N 1 2 388.435 2.225 20 0 GEADLO c1[nH]nc(-c2cccnc2)c1C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826525342 608856083 /nfs/dbraw/zinc/85/60/83/608856083.db2.gz GEMJPJIICIATEU-GOSISDBHSA-N 1 2 388.435 2.225 20 0 GEADLO O=C(NCCSCc1ccccc1-c1nn[nH]n1)c1cccc2[nH+]ccn21 ZINC000826439161 609156455 /nfs/dbraw/zinc/15/64/55/609156455.db2.gz HKTLPENKNDZNGH-UHFFFAOYSA-N 1 2 379.449 2.178 20 0 GEADLO COC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826138400 609262246 /nfs/dbraw/zinc/26/22/46/609262246.db2.gz SSRFIVMJBSVTAH-UHFFFAOYSA-N 1 2 381.436 2.093 20 0 GEADLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826138400 609262248 /nfs/dbraw/zinc/26/22/48/609262248.db2.gz SSRFIVMJBSVTAH-UHFFFAOYSA-N 1 2 381.436 2.093 20 0 GEADLO Fc1cc(CNc2nc3ccccn3c2-c2nn[nH]n2)ccc1-n1cc[nH+]c1 ZINC000826372004 609465169 /nfs/dbraw/zinc/46/51/69/609465169.db2.gz CJZYIHMZHUBVIU-UHFFFAOYSA-N 1 2 375.371 2.451 20 0 GEADLO Cc1ccnc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c1-c1nn[nH]n1 ZINC000826311068 609551029 /nfs/dbraw/zinc/55/10/29/609551029.db2.gz RZERWHHUHHZWJT-INIZCTEOSA-N 1 2 399.886 2.079 20 0 GEADLO C[NH+](C)[C@@H](C(=O)OCCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000825848232 609621326 /nfs/dbraw/zinc/62/13/26/609621326.db2.gz AMULEUXOTNXQFD-GOSISDBHSA-N 1 2 381.436 2.482 20 0 GEADLO Cc1nc(N(C)C)nc(NCc2nc(-c3cccc(Br)c3)no2)[nH+]1 ZINC000447819204 650009138 /nfs/dbraw/zinc/00/91/38/650009138.db2.gz XUYBMQTZTMMZTA-UHFFFAOYSA-N 1 2 390.245 2.671 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000449028723 650030735 /nfs/dbraw/zinc/03/07/35/650030735.db2.gz MNRGBBBICVPOKA-STQMWFEESA-N 1 2 385.302 2.431 20 0 GEADLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CCOC[C@@H](C)C1 ZINC000449028723 650030737 /nfs/dbraw/zinc/03/07/37/650030737.db2.gz MNRGBBBICVPOKA-STQMWFEESA-N 1 2 385.302 2.431 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000449847844 650053688 /nfs/dbraw/zinc/05/36/88/650053688.db2.gz HKWOJCWYRJRDIX-XOKHGSTOSA-N 1 2 380.330 2.305 20 0 GEADLO CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000450222484 650062304 /nfs/dbraw/zinc/06/23/04/650062304.db2.gz CYCUZPDLAJUJPX-LBPRGKRZSA-N 1 2 381.325 2.461 20 0 GEADLO CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000450223715 650062445 /nfs/dbraw/zinc/06/24/45/650062445.db2.gz OZQQBHSAMRSKBW-ZDUSSCGKSA-N 1 2 381.325 2.461 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc(I)cc1F ZINC000450787327 650070249 /nfs/dbraw/zinc/07/02/49/650070249.db2.gz FHBNYEPMRQGLMF-JTQLQIEISA-N 1 2 385.180 2.372 20 0 GEADLO C[C@H]1CN(C(=O)c2cc3c(Br)cccc3cn2)CC[N@@H+]1CCO ZINC000450813551 650070962 /nfs/dbraw/zinc/07/09/62/650070962.db2.gz OYUDMNUZSGVWHB-LBPRGKRZSA-N 1 2 378.270 2.136 20 0 GEADLO C[C@H]1CN(C(=O)c2cc3c(Br)cccc3cn2)CC[N@H+]1CCO ZINC000450813551 650070963 /nfs/dbraw/zinc/07/09/63/650070963.db2.gz OYUDMNUZSGVWHB-LBPRGKRZSA-N 1 2 378.270 2.136 20 0 GEADLO Cc1ncsc1CCS(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000451025672 650081008 /nfs/dbraw/zinc/08/10/08/650081008.db2.gz BXUPQZYZSKIAGS-UHFFFAOYSA-N 1 2 376.507 2.358 20 0 GEADLO Cc1csc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000451341774 650105234 /nfs/dbraw/zinc/10/52/34/650105234.db2.gz LTLJHLCIDURDET-IAGOWNOFSA-N 1 2 380.535 2.218 20 0 GEADLO Cc1csc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000451341774 650105237 /nfs/dbraw/zinc/10/52/37/650105237.db2.gz LTLJHLCIDURDET-IAGOWNOFSA-N 1 2 380.535 2.218 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)CC[N@@H+]2CCOC[C@H]2C)c1 ZINC000451451899 650115689 /nfs/dbraw/zinc/11/56/89/650115689.db2.gz DHRPBEIMTDJFQH-CXAGYDPISA-N 1 2 387.318 2.144 20 0 GEADLO COc1ccc(Br)c([C@@H](CO)N(C)CC[N@H+]2CCOC[C@H]2C)c1 ZINC000451451899 650115692 /nfs/dbraw/zinc/11/56/92/650115692.db2.gz DHRPBEIMTDJFQH-CXAGYDPISA-N 1 2 387.318 2.144 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000451541170 650124392 /nfs/dbraw/zinc/12/43/92/650124392.db2.gz YHIMKBKBTMKKEV-LLVKDONJSA-N 1 2 379.295 2.444 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000451541170 650124397 /nfs/dbraw/zinc/12/43/97/650124397.db2.gz YHIMKBKBTMKKEV-LLVKDONJSA-N 1 2 379.295 2.444 20 0 GEADLO O=C(C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc(Br)cn1 ZINC000451889464 650150591 /nfs/dbraw/zinc/15/05/91/650150591.db2.gz MITXZPBXWLUDEH-QPUJVOFHSA-N 1 2 382.180 2.028 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc(Br)cn1 ZINC000451889464 650150594 /nfs/dbraw/zinc/15/05/94/650150594.db2.gz MITXZPBXWLUDEH-QPUJVOFHSA-N 1 2 382.180 2.028 20 0 GEADLO CSc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1Cl ZINC000451893897 650150880 /nfs/dbraw/zinc/15/08/80/650150880.db2.gz YNIFBZDOQOFBJZ-TXEJJXNPSA-N 1 2 378.947 2.138 20 0 GEADLO CSc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1Cl ZINC000451893897 650150883 /nfs/dbraw/zinc/15/08/83/650150883.db2.gz YNIFBZDOQOFBJZ-TXEJJXNPSA-N 1 2 378.947 2.138 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451899597 650151174 /nfs/dbraw/zinc/15/11/74/650151174.db2.gz ZBMHLDIVQCKMRL-SWLSCSKDSA-N 1 2 381.416 2.104 20 0 GEADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451899597 650151176 /nfs/dbraw/zinc/15/11/76/650151176.db2.gz ZBMHLDIVQCKMRL-SWLSCSKDSA-N 1 2 381.416 2.104 20 0 GEADLO COC[C@]1(CO)CC[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000451927971 650154306 /nfs/dbraw/zinc/15/43/06/650154306.db2.gz OAEHAZNNWNUCRZ-CQSZACIVSA-N 1 2 388.287 2.391 20 0 GEADLO COC[C@]1(CO)CC[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000451927971 650154309 /nfs/dbraw/zinc/15/43/09/650154309.db2.gz OAEHAZNNWNUCRZ-CQSZACIVSA-N 1 2 388.287 2.391 20 0 GEADLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 ZINC000451976272 650160065 /nfs/dbraw/zinc/16/00/65/650160065.db2.gz YAHUZEBLLDMGFV-LBPRGKRZSA-N 1 2 376.906 2.462 20 0 GEADLO C[C@@H](C(=O)N1CC[C@@H](c2cccc(Br)c2)C1)[NH+]1CCN(C)CC1 ZINC000452852053 650199545 /nfs/dbraw/zinc/19/95/45/650199545.db2.gz RZYKHSNTKAQLSR-GOEBONIOSA-N 1 2 380.330 2.401 20 0 GEADLO O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000453642991 650211602 /nfs/dbraw/zinc/21/16/02/650211602.db2.gz UDBLKFSSCQQZHG-UHFFFAOYSA-N 1 2 386.677 2.348 20 0 GEADLO COc1cc(Br)cc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000455055968 650288526 /nfs/dbraw/zinc/28/85/26/650288526.db2.gz RLLRZZINHGIDHP-HNNXBMFYSA-N 1 2 384.274 2.442 20 0 GEADLO COc1cc(Br)cc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000455055968 650288532 /nfs/dbraw/zinc/28/85/32/650288532.db2.gz RLLRZZINHGIDHP-HNNXBMFYSA-N 1 2 384.274 2.442 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000455913136 650325580 /nfs/dbraw/zinc/32/55/80/650325580.db2.gz WNVHSZABUIZRDB-NSHDSACASA-N 1 2 379.258 2.449 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000455913136 650325582 /nfs/dbraw/zinc/32/55/82/650325582.db2.gz WNVHSZABUIZRDB-NSHDSACASA-N 1 2 379.258 2.449 20 0 GEADLO Cc1cc(C)c(CNC(=O)CN(C)C(=O)c2ccc(Br)o2)c[nH+]1 ZINC000456858964 650364220 /nfs/dbraw/zinc/36/42/20/650364220.db2.gz MNQORTLBZJUIHX-UHFFFAOYSA-N 1 2 380.242 2.442 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)CCC[S@](=O)c2ccc(Br)cc2)c1 ZINC000457848695 650386463 /nfs/dbraw/zinc/38/64/63/650386463.db2.gz DQCQCUQJBLUSPE-QHCPKHFHSA-N 1 2 398.326 2.429 20 0 GEADLO COc1ccc(Cl)cc1CN1CC[NH+](CC2CCS(=O)(=O)CC2)CC1 ZINC000502705079 650410585 /nfs/dbraw/zinc/41/05/85/650410585.db2.gz FASSFOAVOCFLQV-UHFFFAOYSA-N 1 2 386.945 2.291 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cccc(O)c2Br)CC1 ZINC000459366904 650423079 /nfs/dbraw/zinc/42/30/79/650423079.db2.gz YGIKQFNGWVMINQ-CQSZACIVSA-N 1 2 396.329 2.283 20 0 GEADLO Cn1nccc1[C@H](CO)[NH2+]Cc1cc2c(cc1Br)OCCCO2 ZINC000459777515 650432622 /nfs/dbraw/zinc/43/26/22/650432622.db2.gz WRRBBLHLYLDURV-ZDUSSCGKSA-N 1 2 382.258 2.167 20 0 GEADLO COc1ccccc1[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)CC[NH2+]1 ZINC000505498460 650438081 /nfs/dbraw/zinc/43/80/81/650438081.db2.gz KVXMLEHSTKYOBC-ZDUSSCGKSA-N 1 2 392.253 2.345 20 0 GEADLO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505557082 650438829 /nfs/dbraw/zinc/43/88/29/650438829.db2.gz GIFXBAFQCJLPKD-NVXWUHKLSA-N 1 2 388.265 2.321 20 0 GEADLO CCN(CC)C(=O)C[NH+]1CCN(Cc2cc(OC)ccc2Br)CC1 ZINC000506164925 650443897 /nfs/dbraw/zinc/44/38/97/650443897.db2.gz QIMHLNYSRRNSLV-UHFFFAOYSA-N 1 2 398.345 2.444 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000506943352 650452304 /nfs/dbraw/zinc/45/23/04/650452304.db2.gz FOECZWYNBPWLJQ-UHFFFAOYSA-N 1 2 380.432 2.270 20 0 GEADLO CCC1(CC)CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCS1(=O)=O ZINC000461112132 650449308 /nfs/dbraw/zinc/44/93/08/650449308.db2.gz IUSZTRIQBRWENV-CQSZACIVSA-N 1 2 387.571 2.350 20 0 GEADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CN(CC(F)(F)F)C1 ZINC000507548819 650462523 /nfs/dbraw/zinc/46/25/23/650462523.db2.gz FDQXCLHVSBBWJA-UHFFFAOYSA-N 1 2 375.822 2.308 20 0 GEADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CN(CC(F)(F)F)C1 ZINC000507548819 650462526 /nfs/dbraw/zinc/46/25/26/650462526.db2.gz FDQXCLHVSBBWJA-UHFFFAOYSA-N 1 2 375.822 2.308 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2nnnn2C)CC1 ZINC000507846266 650467803 /nfs/dbraw/zinc/46/78/03/650467803.db2.gz GUOKIOGPWUEIHR-OAHLLOKOSA-N 1 2 379.306 2.242 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1Cl ZINC000507964338 650470888 /nfs/dbraw/zinc/47/08/88/650470888.db2.gz JQUPSEHFLQEUIT-VHSXEESVSA-N 1 2 377.869 2.151 20 0 GEADLO CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1Cl ZINC000507964338 650470890 /nfs/dbraw/zinc/47/08/90/650470890.db2.gz JQUPSEHFLQEUIT-VHSXEESVSA-N 1 2 377.869 2.151 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000507934491 650469900 /nfs/dbraw/zinc/46/99/00/650469900.db2.gz KROHXLFCCFEYPB-DTWKUNHWSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000507934491 650469902 /nfs/dbraw/zinc/46/99/02/650469902.db2.gz KROHXLFCCFEYPB-DTWKUNHWSA-N 1 2 383.258 2.440 20 0 GEADLO O=C(NCc1cc(Br)cc2c1OCC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000462841829 650491042 /nfs/dbraw/zinc/49/10/42/650491042.db2.gz PKFCYVXLKBRFIC-GFCCVEGCSA-N 1 2 376.254 2.459 20 0 GEADLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)nc1 ZINC000509260615 650491882 /nfs/dbraw/zinc/49/18/82/650491882.db2.gz SQRSNROCQPDXNR-UHFFFAOYSA-N 1 2 391.269 2.348 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)[C@@H](C)CCOC)CC2)cs1 ZINC000464418575 650495917 /nfs/dbraw/zinc/49/59/17/650495917.db2.gz SNHMSOOYWVPOQO-AWEZNQCLSA-N 1 2 389.587 2.262 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2OC)[C@H](C)C1 ZINC000511297961 650532264 /nfs/dbraw/zinc/53/22/64/650532264.db2.gz ZSDHMBBVBBZIQJ-SNVBAGLBSA-N 1 2 395.294 2.312 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2OC)[C@H](C)C1 ZINC000511297961 650532266 /nfs/dbraw/zinc/53/22/66/650532266.db2.gz ZSDHMBBVBBZIQJ-SNVBAGLBSA-N 1 2 395.294 2.312 20 0 GEADLO Cn1[nH]c(C[NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)nc1=O ZINC000475728189 650536603 /nfs/dbraw/zinc/53/66/03/650536603.db2.gz JXWFRPQQKDZULG-OAHLLOKOSA-N 1 2 388.269 2.340 20 0 GEADLO O=S(=O)(CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)c1ccc(F)cc1 ZINC000511629154 650539942 /nfs/dbraw/zinc/53/99/42/650539942.db2.gz OTWPGQSEZOLQIK-IUODEOHRSA-N 1 2 383.407 2.482 20 0 GEADLO O=S(=O)(CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)c1ccc(F)cc1 ZINC000511629154 650539944 /nfs/dbraw/zinc/53/99/44/650539944.db2.gz OTWPGQSEZOLQIK-IUODEOHRSA-N 1 2 383.407 2.482 20 0 GEADLO O=C(CCn1cc[nH+]c1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000512603123 650551112 /nfs/dbraw/zinc/55/11/12/650551112.db2.gz UINHBWUNHUYBMN-UHFFFAOYSA-N 1 2 375.230 2.314 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000476525124 650552547 /nfs/dbraw/zinc/55/25/47/650552547.db2.gz KZCAKEQZHNRWAV-ZIAGYGMSSA-N 1 2 390.933 2.468 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000476525124 650552552 /nfs/dbraw/zinc/55/25/52/650552552.db2.gz KZCAKEQZHNRWAV-ZIAGYGMSSA-N 1 2 390.933 2.468 20 0 GEADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000513385984 650562449 /nfs/dbraw/zinc/56/24/49/650562449.db2.gz DHHXNAPHIFMREB-AWEZNQCLSA-N 1 2 386.323 2.358 20 0 GEADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000513412448 650562687 /nfs/dbraw/zinc/56/26/87/650562687.db2.gz ZWUDKMKFKBWFLA-AWEZNQCLSA-N 1 2 386.323 2.358 20 0 GEADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000513412449 650562735 /nfs/dbraw/zinc/56/27/35/650562735.db2.gz ZWUDKMKFKBWFLA-CQSZACIVSA-N 1 2 386.323 2.358 20 0 GEADLO CNc1cc(N2CCC[C@H]2CNC(=O)COc2ccsc2Cl)nc[nH+]1 ZINC000513618792 650566357 /nfs/dbraw/zinc/56/63/57/650566357.db2.gz GMQFLWUBGSAELH-NSHDSACASA-N 1 2 381.889 2.397 20 0 GEADLO CNc1cc(N2CCC[C@H]2CNC(=O)COc2ccsc2Cl)[nH+]cn1 ZINC000513618792 650566361 /nfs/dbraw/zinc/56/63/61/650566361.db2.gz GMQFLWUBGSAELH-NSHDSACASA-N 1 2 381.889 2.397 20 0 GEADLO O=C(c1cc(Br)cs1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000479010996 650593785 /nfs/dbraw/zinc/59/37/85/650593785.db2.gz GBNGXBIHJOMLMK-ZDUSSCGKSA-N 1 2 389.315 2.074 20 0 GEADLO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479333887 650601553 /nfs/dbraw/zinc/60/15/53/650601553.db2.gz HGLJGVWNQZCFTQ-QMMMGPOBSA-N 1 2 382.313 2.206 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc(I)c1 ZINC000520592618 650615264 /nfs/dbraw/zinc/61/52/64/650615264.db2.gz BEKCYUUHRYJXHQ-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cccc(I)c1 ZINC000520592618 650615266 /nfs/dbraw/zinc/61/52/66/650615266.db2.gz BEKCYUUHRYJXHQ-LLVKDONJSA-N 1 2 389.237 2.133 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCc2c1cccc2Br ZINC000520613796 650615477 /nfs/dbraw/zinc/61/54/77/650615477.db2.gz GEXRYOXJWHALEI-LRDDRELGSA-N 1 2 382.302 2.456 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCc2c1cccc2Br ZINC000520613796 650615480 /nfs/dbraw/zinc/61/54/80/650615480.db2.gz GEXRYOXJWHALEI-LRDDRELGSA-N 1 2 382.302 2.456 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)CCc2ccc(Br)cc2)CC1 ZINC000480188418 650617431 /nfs/dbraw/zinc/61/74/31/650617431.db2.gz YVLJRQWNYHTCMC-AWEZNQCLSA-N 1 2 396.329 2.051 20 0 GEADLO O=S1(=O)CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)c2cc(Br)ccc21 ZINC000480192731 650617452 /nfs/dbraw/zinc/61/74/52/650617452.db2.gz FTLXMJRAPBPQPK-ONGXEEELSA-N 1 2 388.205 2.180 20 0 GEADLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000521441181 650617479 /nfs/dbraw/zinc/61/74/79/650617479.db2.gz FFXSBMQFNVNDET-NHYWBVRUSA-N 1 2 379.869 2.086 20 0 GEADLO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CC(n2cc[nH+]c2)C1 ZINC000524400181 650640915 /nfs/dbraw/zinc/64/09/15/650640915.db2.gz NGOYPSGPVVNLMH-ZDUSSCGKSA-N 1 2 389.253 2.082 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCc1cc(Br)ccc1F ZINC000524597035 650643562 /nfs/dbraw/zinc/64/35/62/650643562.db2.gz HSEKGNLFTVWPBH-GFCCVEGCSA-N 1 2 388.281 2.151 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCc1cc(Br)ccc1F ZINC000524597035 650643566 /nfs/dbraw/zinc/64/35/66/650643566.db2.gz HSEKGNLFTVWPBH-GFCCVEGCSA-N 1 2 388.281 2.151 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000525400757 650654424 /nfs/dbraw/zinc/65/44/24/650654424.db2.gz YTKOLVINNIWNCU-HOCLYGCPSA-N 1 2 387.571 2.207 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000526031133 650663457 /nfs/dbraw/zinc/66/34/57/650663457.db2.gz UFCUZDIXKZDZJK-CQSZACIVSA-N 1 2 380.286 2.083 20 0 GEADLO CC(C)COC[C@@H](O)C[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483357003 650677242 /nfs/dbraw/zinc/67/72/42/650677242.db2.gz XLOSGWCVQKLWOD-KRWDZBQOSA-N 1 2 397.317 2.495 20 0 GEADLO CC(C)COC[C@@H](O)C[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483357003 650677243 /nfs/dbraw/zinc/67/72/43/650677243.db2.gz XLOSGWCVQKLWOD-KRWDZBQOSA-N 1 2 397.317 2.495 20 0 GEADLO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528342417 650689370 /nfs/dbraw/zinc/68/93/70/650689370.db2.gz QYGWFWSHLITZEW-MRXNPFEDSA-N 1 2 387.307 2.417 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000528537515 650695256 /nfs/dbraw/zinc/69/52/56/650695256.db2.gz VKHDIWFKISHXIO-UHFFFAOYSA-N 1 2 376.881 2.355 20 0 GEADLO COCCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486579286 650716079 /nfs/dbraw/zinc/71/60/79/650716079.db2.gz SKDPQWXPVDLVKJ-IAGOWNOFSA-N 1 2 376.469 2.445 20 0 GEADLO COCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486579286 650716083 /nfs/dbraw/zinc/71/60/83/650716083.db2.gz SKDPQWXPVDLVKJ-IAGOWNOFSA-N 1 2 376.469 2.445 20 0 GEADLO COC[C@H](C)S(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486580786 650716347 /nfs/dbraw/zinc/71/63/47/650716347.db2.gz XXMRSCLHAQWGSA-JCURWCKSSA-N 1 2 376.469 2.443 20 0 GEADLO COC[C@H](C)S(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486580786 650716352 /nfs/dbraw/zinc/71/63/52/650716352.db2.gz XXMRSCLHAQWGSA-JCURWCKSSA-N 1 2 376.469 2.443 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000530281025 650719756 /nfs/dbraw/zinc/71/97/56/650719756.db2.gz HKAGGGMFGDPBPA-UHFFFAOYSA-N 1 2 380.242 2.203 20 0 GEADLO C[C@H](C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1)[NH+]1CCSCC1 ZINC000486740713 650720405 /nfs/dbraw/zinc/72/04/05/650720405.db2.gz JEPHTZKORJHSPZ-GFCCVEGCSA-N 1 2 385.917 2.183 20 0 GEADLO CS(=O)(=O)CC1(C[N@H+](CCO)Cc2cccc(Br)c2)CC1 ZINC000488234337 650742885 /nfs/dbraw/zinc/74/28/85/650742885.db2.gz SHPBFMFBPXVURL-UHFFFAOYSA-N 1 2 376.316 2.068 20 0 GEADLO CS(=O)(=O)CC1(C[N@@H+](CCO)Cc2cccc(Br)c2)CC1 ZINC000488234337 650742887 /nfs/dbraw/zinc/74/28/87/650742887.db2.gz SHPBFMFBPXVURL-UHFFFAOYSA-N 1 2 376.316 2.068 20 0 GEADLO CCOC(=O)C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)CC(C)C ZINC000532483359 650748741 /nfs/dbraw/zinc/74/87/41/650748741.db2.gz NKIGIAQVPIVERL-UHFFFAOYSA-N 1 2 396.285 2.478 20 0 GEADLO CCOC(=O)C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)CC(C)C ZINC000532483359 650748744 /nfs/dbraw/zinc/74/87/44/650748744.db2.gz NKIGIAQVPIVERL-UHFFFAOYSA-N 1 2 396.285 2.478 20 0 GEADLO C[C@H](Oc1ccccc1Cl)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031936183 642492026 /nfs/dbraw/zinc/49/20/26/642492026.db2.gz PHZXXVJUDKHMRP-KBXCAEBGSA-N 1 2 384.929 2.431 20 0 GEADLO COc1ccc(Br)cc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000037401574 642512908 /nfs/dbraw/zinc/51/29/08/642512908.db2.gz LEUIPYKPVJETKD-UHFFFAOYSA-N 1 2 377.304 2.172 20 0 GEADLO Cn1c(Cl)c(Cl)cc1C(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000041785510 642532806 /nfs/dbraw/zinc/53/28/06/642532806.db2.gz RMSLETMMLZVEIP-UHFFFAOYSA-N 1 2 389.327 2.395 20 0 GEADLO Cn1c(Cl)c(Cl)cc1C(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000041785510 642532808 /nfs/dbraw/zinc/53/28/08/642532808.db2.gz RMSLETMMLZVEIP-UHFFFAOYSA-N 1 2 389.327 2.395 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000041993385 642538056 /nfs/dbraw/zinc/53/80/56/642538056.db2.gz DDZMHDJXOOTSOK-VIFPVBQESA-N 1 2 385.649 2.442 20 0 GEADLO COc1ccc(S(=O)(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000042005054 642538646 /nfs/dbraw/zinc/53/86/46/642538646.db2.gz KXUPNURVVOGOIW-BETUJISGSA-N 1 2 376.906 2.126 20 0 GEADLO COc1ccc(S(=O)(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000042005054 642538651 /nfs/dbraw/zinc/53/86/51/642538651.db2.gz KXUPNURVVOGOIW-BETUJISGSA-N 1 2 376.906 2.126 20 0 GEADLO O=C(NCCc1ccc(Cl)cc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000042344306 642551107 /nfs/dbraw/zinc/55/11/07/642551107.db2.gz KPPSUSPBSSZGTR-SFHVURJKSA-N 1 2 383.945 2.390 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Br)cc1 ZINC000533547726 650761915 /nfs/dbraw/zinc/76/19/15/650761915.db2.gz JFEATGXKOGZZOR-IUODEOHRSA-N 1 2 392.253 2.239 20 0 GEADLO C[C@@H](Sc1nncn1C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000045670852 642593501 /nfs/dbraw/zinc/59/35/01/642593501.db2.gz OFEFXTRVKWYLHX-NWDGAFQWSA-N 1 2 380.543 2.623 20 0 GEADLO C[C@@H](Sc1nncn1C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000045670852 642593509 /nfs/dbraw/zinc/59/35/09/642593509.db2.gz OFEFXTRVKWYLHX-NWDGAFQWSA-N 1 2 380.543 2.623 20 0 GEADLO COCCNC(=S)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000045879075 642599869 /nfs/dbraw/zinc/59/98/69/642599869.db2.gz ZPFZDSVAUCNTGO-UHFFFAOYSA-N 1 2 377.432 2.224 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)o2)CC1 ZINC000046052245 642602495 /nfs/dbraw/zinc/60/24/95/642602495.db2.gz HTCITYPMOYFVAR-UHFFFAOYSA-N 1 2 386.290 2.058 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)o2)CC1 ZINC000046052245 642602504 /nfs/dbraw/zinc/60/25/04/642602504.db2.gz HTCITYPMOYFVAR-UHFFFAOYSA-N 1 2 386.290 2.058 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000047151721 642621790 /nfs/dbraw/zinc/62/17/90/642621790.db2.gz LSCCJGFVPAQJOA-CYBMUJFWSA-N 1 2 393.285 2.085 20 0 GEADLO COCCOc1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000534261204 650771482 /nfs/dbraw/zinc/77/14/82/650771482.db2.gz MWWASPKEKJUFHZ-MRXNPFEDSA-N 1 2 394.269 2.186 20 0 GEADLO C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000047302674 642628288 /nfs/dbraw/zinc/62/82/88/642628288.db2.gz QHHFQBRWSWQNDP-DOMZBBRYSA-N 1 2 384.498 2.469 20 0 GEADLO O=S1(=O)CCC[C@H]([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000534350941 650773333 /nfs/dbraw/zinc/77/33/33/650773333.db2.gz AIXPZMVEYNWDQX-JTQLQIEISA-N 1 2 375.281 2.241 20 0 GEADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CSCC(F)(F)F ZINC000534150494 650769311 /nfs/dbraw/zinc/76/93/11/650769311.db2.gz YQJTZHCBMWRIQW-ZDUSSCGKSA-N 1 2 376.448 2.004 20 0 GEADLO O=C(COC(=O)c1cccnc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000053908408 642743254 /nfs/dbraw/zinc/74/32/54/642743254.db2.gz ZCWASZYVTPBXNV-UHFFFAOYSA-N 1 2 379.869 2.298 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000534828319 650780895 /nfs/dbraw/zinc/78/08/95/650780895.db2.gz YEMFMBZPBTYKHS-ILXRZTDVSA-N 1 2 392.253 2.176 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000534828319 650780898 /nfs/dbraw/zinc/78/08/98/650780898.db2.gz YEMFMBZPBTYKHS-ILXRZTDVSA-N 1 2 392.253 2.176 20 0 GEADLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000054676277 642756328 /nfs/dbraw/zinc/75/63/28/642756328.db2.gz TZRMTHBLXSKNDX-LLVKDONJSA-N 1 2 380.246 2.354 20 0 GEADLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000054676277 642756331 /nfs/dbraw/zinc/75/63/31/642756331.db2.gz TZRMTHBLXSKNDX-LLVKDONJSA-N 1 2 380.246 2.354 20 0 GEADLO O=C(C1CCC1)N1CSC[C@@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535261652 650786455 /nfs/dbraw/zinc/78/64/55/650786455.db2.gz OIHONYQJDVBENJ-MRXNPFEDSA-N 1 2 379.551 2.094 20 0 GEADLO COC(=O)C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000054819670 642761264 /nfs/dbraw/zinc/76/12/64/642761264.db2.gz BBHHMLHWTCBPGK-CQSZACIVSA-N 1 2 395.257 2.249 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1csc(Br)c1 ZINC000057483613 642813563 /nfs/dbraw/zinc/81/35/63/642813563.db2.gz DDRSZXNSYZZOFZ-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO COCCn1c(=O)c2ccc(Cl)cc2nc1SCC[NH+]1CCOCC1 ZINC000058085130 642823894 /nfs/dbraw/zinc/82/38/94/642823894.db2.gz MCALQXORBIVTHM-UHFFFAOYSA-N 1 2 383.901 2.121 20 0 GEADLO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1S(C)(=O)=O ZINC000062355267 642847494 /nfs/dbraw/zinc/84/74/94/642847494.db2.gz UCUASBPTGVDMBE-CYBMUJFWSA-N 1 2 382.507 2.193 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)s1)NCCCCn1cc[nH+]c1 ZINC000065515653 642880333 /nfs/dbraw/zinc/88/03/33/642880333.db2.gz DOKXMIVXJVVEAF-UHFFFAOYSA-N 1 2 385.287 2.034 20 0 GEADLO CCN(C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000066884403 642945775 /nfs/dbraw/zinc/94/57/75/642945775.db2.gz UYORTHXMYLQPOZ-ZDUSSCGKSA-N 1 2 387.933 2.413 20 0 GEADLO NS(=O)(=O)C1CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000536387640 650801784 /nfs/dbraw/zinc/80/17/84/650801784.db2.gz VLSBPCHCDSMVTL-UHFFFAOYSA-N 1 2 397.722 2.234 20 0 GEADLO CC[N@@H+](CC(=O)N(C)CCOc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000494267689 650803420 /nfs/dbraw/zinc/80/34/20/650803420.db2.gz IPWKXFCXCDJDOJ-CQSZACIVSA-N 1 2 382.810 2.422 20 0 GEADLO CC[N@H+](CC(=O)N(C)CCOc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000494267689 650803423 /nfs/dbraw/zinc/80/34/23/650803423.db2.gz IPWKXFCXCDJDOJ-CQSZACIVSA-N 1 2 382.810 2.422 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2[nH]c3ccccc3c2Cl)CC1 ZINC000068505484 643004169 /nfs/dbraw/zinc/00/41/69/643004169.db2.gz UNMGWKGPZPTROP-UHFFFAOYSA-N 1 2 383.901 2.060 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000069769400 643040086 /nfs/dbraw/zinc/04/00/86/643040086.db2.gz FNNQACWMWXPATA-BLLLJJGKSA-N 1 2 382.302 2.456 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000093530796 643077555 /nfs/dbraw/zinc/07/75/55/643077555.db2.gz SLULXIULZUOSPR-HOTGVXAUSA-N 1 2 388.917 2.021 20 0 GEADLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000093530796 643077559 /nfs/dbraw/zinc/07/75/59/643077559.db2.gz SLULXIULZUOSPR-HOTGVXAUSA-N 1 2 388.917 2.021 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCOc2ccccc2Br)C1 ZINC000093796746 643081008 /nfs/dbraw/zinc/08/10/08/643081008.db2.gz QBKZOEMTCQOXIV-ZDUSSCGKSA-N 1 2 391.331 2.230 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CCOc2ccccc2Br)C1 ZINC000093796746 643081014 /nfs/dbraw/zinc/08/10/14/643081014.db2.gz QBKZOEMTCQOXIV-ZDUSSCGKSA-N 1 2 391.331 2.230 20 0 GEADLO O=S(=O)(CC1CCCCC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000101574364 643109654 /nfs/dbraw/zinc/10/96/54/643109654.db2.gz FLJLIYLAVNZMAK-UHFFFAOYSA-N 1 2 386.480 2.483 20 0 GEADLO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(=O)n2nccc2[nH]1 ZINC000104098126 643177174 /nfs/dbraw/zinc/17/71/74/643177174.db2.gz XPDNLAGGCBKQMC-UHFFFAOYSA-N 1 2 380.235 2.400 20 0 GEADLO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(=O)n2nccc2[nH]1 ZINC000104098126 643177181 /nfs/dbraw/zinc/17/71/81/643177181.db2.gz XPDNLAGGCBKQMC-UHFFFAOYSA-N 1 2 380.235 2.400 20 0 GEADLO Cc1csc(N2CCC[N@@H+](Cc3csc(CC(=O)N(C)C)n3)CC2)n1 ZINC000104948084 643197792 /nfs/dbraw/zinc/19/77/92/643197792.db2.gz GSOSZYYZWZMXPN-UHFFFAOYSA-N 1 2 379.555 2.251 20 0 GEADLO Cc1csc(N2CCC[N@H+](Cc3csc(CC(=O)N(C)C)n3)CC2)n1 ZINC000104948084 643197797 /nfs/dbraw/zinc/19/77/97/643197797.db2.gz GSOSZYYZWZMXPN-UHFFFAOYSA-N 1 2 379.555 2.251 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)NCc2ccc(Br)c(F)c2)CCO1 ZINC000495007215 650820684 /nfs/dbraw/zinc/82/06/84/650820684.db2.gz OHNUTGVPNHFGFY-ZDUSSCGKSA-N 1 2 388.281 2.498 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(Br)c(F)c2)CCO1 ZINC000495007215 650820687 /nfs/dbraw/zinc/82/06/87/650820687.db2.gz OHNUTGVPNHFGFY-ZDUSSCGKSA-N 1 2 388.281 2.498 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NCc1cc(F)ccc1Br)[NH+]1CCOCC1 ZINC000105167182 643200438 /nfs/dbraw/zinc/20/04/38/643200438.db2.gz OMVNOQIEOFYMJN-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO CN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000105401541 643206211 /nfs/dbraw/zinc/20/62/11/643206211.db2.gz OWGNHBVUYCYORX-QGZVFWFLSA-N 1 2 390.281 2.224 20 0 GEADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccccc3Br)C2)CC1 ZINC000106798549 643238963 /nfs/dbraw/zinc/23/89/63/643238963.db2.gz UIDQOHBHTYOBLC-MRXNPFEDSA-N 1 2 380.330 2.230 20 0 GEADLO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000495206496 650823648 /nfs/dbraw/zinc/82/36/48/650823648.db2.gz YUBHBGMXUWYWTM-YVEFUNNKSA-N 1 2 388.917 2.165 20 0 GEADLO C[C@H]1CC[C@@](CO)([N@@H+](C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000495206496 650823651 /nfs/dbraw/zinc/82/36/51/650823651.db2.gz YUBHBGMXUWYWTM-YVEFUNNKSA-N 1 2 388.917 2.165 20 0 GEADLO CC(C)CN1C(=O)C(=O)N(C[N@H+](C)CCc2ccc(Br)cc2)C1=O ZINC000106854504 643241782 /nfs/dbraw/zinc/24/17/82/643241782.db2.gz YNGADDCKIJPKED-UHFFFAOYSA-N 1 2 396.285 2.328 20 0 GEADLO CC(C)CN1C(=O)C(=O)N(C[N@@H+](C)CCc2ccc(Br)cc2)C1=O ZINC000106854504 643241788 /nfs/dbraw/zinc/24/17/88/643241788.db2.gz YNGADDCKIJPKED-UHFFFAOYSA-N 1 2 396.285 2.328 20 0 GEADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)s1 ZINC000106876213 643243029 /nfs/dbraw/zinc/24/30/29/643243029.db2.gz NQIZHXRLKDPHGQ-LLVKDONJSA-N 1 2 382.511 2.039 20 0 GEADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)s1 ZINC000106876213 643243031 /nfs/dbraw/zinc/24/30/31/643243031.db2.gz NQIZHXRLKDPHGQ-LLVKDONJSA-N 1 2 382.511 2.039 20 0 GEADLO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CCNS(C)(=O)=O ZINC000107300416 643253179 /nfs/dbraw/zinc/25/31/79/643253179.db2.gz RDLHWDXQOYEUQI-CYBMUJFWSA-N 1 2 377.304 2.144 20 0 GEADLO COc1ccc(Br)cc1[C@H]1CCC[N@H+]1CCNS(C)(=O)=O ZINC000107300416 643253184 /nfs/dbraw/zinc/25/31/84/643253184.db2.gz RDLHWDXQOYEUQI-CYBMUJFWSA-N 1 2 377.304 2.144 20 0 GEADLO C[C@H](NC(=O)c1csc(I)c1)[C@H](C)[NH+]1CCOCC1 ZINC000107595652 643258654 /nfs/dbraw/zinc/25/86/54/643258654.db2.gz SEYUAEMIMAFCFS-UWVGGRQHSA-N 1 2 394.278 2.192 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000108313104 643270608 /nfs/dbraw/zinc/27/06/08/643270608.db2.gz GOQLYRRKPBJDAH-HNNXBMFYSA-N 1 2 391.269 2.205 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000108613181 643279410 /nfs/dbraw/zinc/27/94/10/643279410.db2.gz YKHGWZRJFFSGPH-UWVGGRQHSA-N 1 2 385.287 2.030 20 0 GEADLO CC[C@@H](Sc1ccccc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000110846043 643320965 /nfs/dbraw/zinc/32/09/65/643320965.db2.gz SAUCERSWOZAXOJ-QGZVFWFLSA-N 1 2 384.567 2.183 20 0 GEADLO CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000111375760 643338673 /nfs/dbraw/zinc/33/86/73/643338673.db2.gz FGHPOZMEJQCTHQ-MELADBBJSA-N 1 2 387.571 2.170 20 0 GEADLO C[C@H]([C@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000111858382 643348870 /nfs/dbraw/zinc/34/88/70/643348870.db2.gz DIXIUNJPTOWIIY-OZVIIMIRSA-N 1 2 390.311 2.435 20 0 GEADLO CCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H](C)CS(C)(=O)=O ZINC000112740515 643371926 /nfs/dbraw/zinc/37/19/26/643371926.db2.gz RITKYEWJXYPVNW-CABCVRRESA-N 1 2 387.571 2.350 20 0 GEADLO CCOC(=O)C[N@@H+]1CCCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000112965761 643378530 /nfs/dbraw/zinc/37/85/30/643378530.db2.gz DUTAIRXHSJFLLC-UHFFFAOYSA-N 1 2 393.285 2.468 20 0 GEADLO CCOC(=O)C[N@H+]1CCCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000112965761 643378539 /nfs/dbraw/zinc/37/85/39/643378539.db2.gz DUTAIRXHSJFLLC-UHFFFAOYSA-N 1 2 393.285 2.468 20 0 GEADLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000112997069 643379475 /nfs/dbraw/zinc/37/94/75/643379475.db2.gz ZEAIJFDGJUWVFN-HNNXBMFYSA-N 1 2 394.269 2.457 20 0 GEADLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000112997069 643379481 /nfs/dbraw/zinc/37/94/81/643379481.db2.gz ZEAIJFDGJUWVFN-HNNXBMFYSA-N 1 2 394.269 2.457 20 0 GEADLO COCC[N@H+](CCC(=O)OC)CC(=O)Nc1ccc(Br)cc1F ZINC000113255483 643386229 /nfs/dbraw/zinc/38/62/29/643386229.db2.gz YIZKKMJKUJXYBM-UHFFFAOYSA-N 1 2 391.237 2.038 20 0 GEADLO COCC[N@@H+](CCC(=O)OC)CC(=O)Nc1ccc(Br)cc1F ZINC000113255483 643386235 /nfs/dbraw/zinc/38/62/35/643386235.db2.gz YIZKKMJKUJXYBM-UHFFFAOYSA-N 1 2 391.237 2.038 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@H+](C[C@H](O)c1ccc(Br)cc1)C1CC1 ZINC000113262996 643388016 /nfs/dbraw/zinc/38/80/16/643388016.db2.gz BTPGBYHRVNVQAE-ABAIWWIYSA-N 1 2 376.316 2.380 20 0 GEADLO C[C@H](CS(C)(=O)=O)[N@@H+](C[C@H](O)c1ccc(Br)cc1)C1CC1 ZINC000113262996 643388021 /nfs/dbraw/zinc/38/80/21/643388021.db2.gz BTPGBYHRVNVQAE-ABAIWWIYSA-N 1 2 376.316 2.380 20 0 GEADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000113580644 643400227 /nfs/dbraw/zinc/40/02/27/643400227.db2.gz YKEZEUNHMSFVST-ILXRZTDVSA-N 1 2 387.571 2.348 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000114674506 643423455 /nfs/dbraw/zinc/42/34/55/643423455.db2.gz RAFVHPGGDFJQOU-OAHLLOKOSA-N 1 2 378.885 2.258 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000497771880 650840446 /nfs/dbraw/zinc/84/04/46/650840446.db2.gz TXAQULWHVNKYHF-UHFFFAOYSA-N 1 2 393.285 2.270 20 0 GEADLO O=C(CSc1ncnc2[nH]cnc21)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000118178593 643507876 /nfs/dbraw/zinc/50/78/76/643507876.db2.gz AAOLFSLGFPSGCU-UHFFFAOYSA-N 1 2 375.483 2.136 20 0 GEADLO Cn1ccnc1[C@@H](O)C1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000120389177 643603061 /nfs/dbraw/zinc/60/30/61/643603061.db2.gz AJOCDNULDGRTDW-INIZCTEOSA-N 1 2 382.917 2.197 20 0 GEADLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000539881026 650852475 /nfs/dbraw/zinc/85/24/75/650852475.db2.gz KSZHFSKHSRWPHX-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000539881026 650852477 /nfs/dbraw/zinc/85/24/77/650852477.db2.gz KSZHFSKHSRWPHX-NSHDSACASA-N 1 2 382.873 2.014 20 0 GEADLO Cc1noc([C@@H]([NH2+]CC(=O)NCc2ccc(Cl)s2)C2CCOCC2)n1 ZINC000498341794 650854424 /nfs/dbraw/zinc/85/44/24/650854424.db2.gz FRWQNNFHYIIKJB-HNNXBMFYSA-N 1 2 384.889 2.467 20 0 GEADLO C=CC(=O)NCCC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000124438461 643686329 /nfs/dbraw/zinc/68/63/29/643686329.db2.gz DGZPIWFNPRSQPE-UHFFFAOYSA-N 1 2 384.307 2.372 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)sc1C ZINC000540217429 650860416 /nfs/dbraw/zinc/86/04/16/650860416.db2.gz PTJSETNTBXLMMB-DLBZAZTESA-N 1 2 380.535 2.279 20 0 GEADLO Cc1cc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)sc1C ZINC000540217429 650860418 /nfs/dbraw/zinc/86/04/18/650860418.db2.gz PTJSETNTBXLMMB-DLBZAZTESA-N 1 2 380.535 2.279 20 0 GEADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)CC(C)(C)S(C)(=O)=O)cn2c1 ZINC000126203015 643723624 /nfs/dbraw/zinc/72/36/24/643723624.db2.gz AWXYGHFMMYFJLA-UHFFFAOYSA-N 1 2 383.539 2.158 20 0 GEADLO CS(=O)(=O)CCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000126812435 643746815 /nfs/dbraw/zinc/74/68/15/643746815.db2.gz UUXUFRDZXKSKBE-OAHLLOKOSA-N 1 2 385.555 2.104 20 0 GEADLO CCOc1ccc(Br)cc1C[N@H+](CC(=O)NC(=O)NC)C1CC1 ZINC000127016913 643754720 /nfs/dbraw/zinc/75/47/20/643754720.db2.gz FCEDSSBZLYSRFF-UHFFFAOYSA-N 1 2 384.274 2.268 20 0 GEADLO CCOc1ccc(Br)cc1C[N@@H+](CC(=O)NC(=O)NC)C1CC1 ZINC000127016913 643754724 /nfs/dbraw/zinc/75/47/24/643754724.db2.gz FCEDSSBZLYSRFF-UHFFFAOYSA-N 1 2 384.274 2.268 20 0 GEADLO CCS(=O)(=O)CC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000128963225 643815873 /nfs/dbraw/zinc/81/58/73/643815873.db2.gz JKBLZJYPKILOHP-UHFFFAOYSA-N 1 2 395.294 2.283 20 0 GEADLO CCS(=O)(=O)CC[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000128963225 643815877 /nfs/dbraw/zinc/81/58/77/643815877.db2.gz JKBLZJYPKILOHP-UHFFFAOYSA-N 1 2 395.294 2.283 20 0 GEADLO O=C(N[C@@H](CCO)c1ccccc1Br)[C@@H]1CCn2c[nH+]cc2C1 ZINC000541051795 650869835 /nfs/dbraw/zinc/86/98/35/650869835.db2.gz NXBDGIKOQFCRHX-WBMJQRKESA-N 1 2 378.270 2.448 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130329769 643835436 /nfs/dbraw/zinc/83/54/36/643835436.db2.gz NFOIIASFDYMSET-GFCCVEGCSA-N 1 2 391.269 2.271 20 0 GEADLO C[C@H]1C[N@@H+](C2CCN(S(=O)(=O)c3c(F)cccc3Cl)CC2)CCO1 ZINC000131277693 643869546 /nfs/dbraw/zinc/86/95/46/643869546.db2.gz RZCAFKJLFHTQNY-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@H]1C[N@H+](C2CCN(S(=O)(=O)c3c(F)cccc3Cl)CC2)CCO1 ZINC000131277693 643869547 /nfs/dbraw/zinc/86/95/47/643869547.db2.gz RZCAFKJLFHTQNY-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO CC(C)c1csc(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000131389054 643871578 /nfs/dbraw/zinc/87/15/78/643871578.db2.gz CJHWYPJQJCJIAO-QGZVFWFLSA-N 1 2 384.571 2.274 20 0 GEADLO CS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000151082522 643929588 /nfs/dbraw/zinc/92/95/88/643929588.db2.gz GVROUHVDZFMQEL-UHFFFAOYSA-N 1 2 381.885 2.249 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000151322200 643937184 /nfs/dbraw/zinc/93/71/84/643937184.db2.gz HUTLSINNFLXEEZ-GFCCVEGCSA-N 1 2 380.286 2.310 20 0 GEADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(I)ccc2Cl)C1 ZINC000151391591 643942075 /nfs/dbraw/zinc/94/20/75/643942075.db2.gz OHFUACWTCKZWEW-JTQLQIEISA-N 1 2 394.640 2.005 20 0 GEADLO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(I)ccc2Cl)C1 ZINC000151391591 643942080 /nfs/dbraw/zinc/94/20/80/643942080.db2.gz OHFUACWTCKZWEW-JTQLQIEISA-N 1 2 394.640 2.005 20 0 GEADLO COCCCNC(=O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153224116 643981929 /nfs/dbraw/zinc/98/19/29/643981929.db2.gz GGWKUWDDPMYPSB-UHFFFAOYSA-N 1 2 388.339 2.306 20 0 GEADLO CNS(=O)(=O)CCCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153242863 643982645 /nfs/dbraw/zinc/98/26/45/643982645.db2.gz IGAHCEPFCNTXLG-UHFFFAOYSA-N 1 2 394.368 2.093 20 0 GEADLO O=C(Nc1ncc(Cc2cccc(Br)c2)s1)[C@@H]1COCC[NH2+]1 ZINC000153334428 643985708 /nfs/dbraw/zinc/98/57/08/643985708.db2.gz SIFUJWOCUBFYLX-ZDUSSCGKSA-N 1 2 382.283 2.423 20 0 GEADLO C[NH+]1CCN(Cc2cccc(NS(=O)(=O)c3ccc(Cl)nc3)c2)CC1 ZINC000153941059 644012096 /nfs/dbraw/zinc/01/20/96/644012096.db2.gz JFSCIHUQGZDWPR-UHFFFAOYSA-N 1 2 380.901 2.283 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[NH+](CCCCC3CCOCC3)CC2)cs1 ZINC000499533136 650885990 /nfs/dbraw/zinc/88/59/90/650885990.db2.gz PSILABAAPZETBH-UHFFFAOYSA-N 1 2 387.571 2.355 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)c(Br)cc2C)CC1 ZINC000154657839 644057766 /nfs/dbraw/zinc/05/77/66/644057766.db2.gz DEXKQDHVPUARGX-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)c(Br)cc2C)CC1 ZINC000154657839 644057768 /nfs/dbraw/zinc/05/77/68/644057768.db2.gz DEXKQDHVPUARGX-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000156317823 644088238 /nfs/dbraw/zinc/08/82/38/644088238.db2.gz SRQGIRXBWMRZGS-GFCCVEGCSA-N 1 2 391.269 2.271 20 0 GEADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)s1 ZINC000542614419 650890599 /nfs/dbraw/zinc/89/05/99/650890599.db2.gz XTBYCBFBHKMCEM-VIFPVBQESA-N 1 2 388.902 2.042 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1Cl ZINC000156816428 644119197 /nfs/dbraw/zinc/11/91/97/644119197.db2.gz QIMDAEBWTDVNGQ-UHFFFAOYSA-N 1 2 383.857 2.349 20 0 GEADLO O=S(=O)(c1cc(F)c(Br)cc1F)N1CC(n2cc[nH+]c2)C1 ZINC000542981578 650897054 /nfs/dbraw/zinc/89/70/54/650897054.db2.gz RIJODOKCRSKFOQ-UHFFFAOYSA-N 1 2 378.198 2.169 20 0 GEADLO C[C@H](NC(=O)c1cc2c(c(Br)c1)OCO2)[C@H](C)[NH+]1CCOCC1 ZINC000170887248 644295448 /nfs/dbraw/zinc/29/54/48/644295448.db2.gz FEWATJVXOZCPFM-QWRGUYRKSA-N 1 2 385.258 2.017 20 0 GEADLO COc1cncc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000543396878 650910227 /nfs/dbraw/zinc/91/02/27/650910227.db2.gz YUOPEBWGVLRCNL-DLBZAZTESA-N 1 2 381.885 2.467 20 0 GEADLO COc1cncc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000543396878 650910230 /nfs/dbraw/zinc/91/02/30/650910230.db2.gz YUOPEBWGVLRCNL-DLBZAZTESA-N 1 2 381.885 2.467 20 0 GEADLO COc1cncc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000543396880 650910307 /nfs/dbraw/zinc/91/03/07/650910307.db2.gz YUOPEBWGVLRCNL-IRXDYDNUSA-N 1 2 381.885 2.467 20 0 GEADLO COc1cncc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000543396880 650910308 /nfs/dbraw/zinc/91/03/08/650910308.db2.gz YUOPEBWGVLRCNL-IRXDYDNUSA-N 1 2 381.885 2.467 20 0 GEADLO O=S(=O)(c1ccc(F)cc1F)N1CC[NH+](CCCCCCCO)CC1 ZINC000173508097 644359423 /nfs/dbraw/zinc/35/94/23/644359423.db2.gz DBXWKXMVEXRICN-UHFFFAOYSA-N 1 2 376.469 2.214 20 0 GEADLO O=C(C[NH+]1CCN(Cn2nc(C3CC3)sc2=S)CC1)N1CCCCC1 ZINC000173881214 644362788 /nfs/dbraw/zinc/36/27/88/644362788.db2.gz NJTGTFMZPZUBSQ-UHFFFAOYSA-N 1 2 381.571 2.139 20 0 GEADLO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCNC2=O)c2ccc(Cl)cc2)c1 ZINC000179048346 644450850 /nfs/dbraw/zinc/45/08/50/644450850.db2.gz VNIMMJPRSIAIKS-IAGOWNOFSA-N 1 2 378.881 2.311 20 0 GEADLO CCOC(=O)NCC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000179446807 644459745 /nfs/dbraw/zinc/45/97/45/644459745.db2.gz ZIZIFQITUPYOGF-UHFFFAOYSA-N 1 2 388.295 2.426 20 0 GEADLO NS(=O)(=O)c1ccc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC000179674976 644466228 /nfs/dbraw/zinc/46/62/28/644466228.db2.gz GEVFCMIHQXGAAP-UHFFFAOYSA-N 1 2 381.885 2.015 20 0 GEADLO CN(Cc1nc(Cc2c[nH+]cn2C)no1)C(=O)c1ccc(Br)o1 ZINC000545135089 650962271 /nfs/dbraw/zinc/96/22/71/650962271.db2.gz CAUJFNYIXNBRLS-UHFFFAOYSA-N 1 2 380.202 2.022 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000181627295 644942597 /nfs/dbraw/zinc/94/25/97/644942597.db2.gz ZGJOMVPQBNNKBV-VXGBXAGGSA-N 1 2 389.279 2.376 20 0 GEADLO CN1C(=O)CN(CN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000182294568 644960805 /nfs/dbraw/zinc/96/08/05/644960805.db2.gz CLUXDQPUNFNHAI-UHFFFAOYSA-N 1 2 385.295 2.005 20 0 GEADLO Cc1csc([C@H](C)[NH2+]CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000184267864 645014374 /nfs/dbraw/zinc/01/43/74/645014374.db2.gz IXCBALXOWKHGOT-ZFWWWQNUSA-N 1 2 385.555 2.060 20 0 GEADLO CCCCN(C(=O)C[NH2+][C@@H](C)c1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000184734668 645024354 /nfs/dbraw/zinc/02/43/54/645024354.db2.gz GZSACCYAGQRLQT-UONOGXRCSA-N 1 2 387.571 2.172 20 0 GEADLO Cc1nc(N2CCN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)CC2)cc[nH+]1 ZINC000184958144 645029262 /nfs/dbraw/zinc/02/92/62/645029262.db2.gz GWVCONQCOWBUSF-MRXNPFEDSA-N 1 2 381.263 2.474 20 0 GEADLO COCCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000185235669 645039498 /nfs/dbraw/zinc/03/94/98/645039498.db2.gz YMNJOPRCJLWIMB-ZDUSSCGKSA-N 1 2 376.862 2.274 20 0 GEADLO COCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000185235669 645039500 /nfs/dbraw/zinc/03/95/00/645039500.db2.gz YMNJOPRCJLWIMB-ZDUSSCGKSA-N 1 2 376.862 2.274 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NNc1ccc(Br)c(F)c1 ZINC000185338404 645042450 /nfs/dbraw/zinc/04/24/50/645042450.db2.gz MNJGTFDRRCNTDU-UHFFFAOYSA-N 1 2 389.269 2.325 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NNc1ccc(Br)c(F)c1 ZINC000185338404 645042452 /nfs/dbraw/zinc/04/24/52/645042452.db2.gz MNJGTFDRRCNTDU-UHFFFAOYSA-N 1 2 389.269 2.325 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1 ZINC000186011350 645057383 /nfs/dbraw/zinc/05/73/83/645057383.db2.gz LXDKTOBZQOKHMU-UHFFFAOYSA-N 1 2 378.416 2.280 20 0 GEADLO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000186077846 645059756 /nfs/dbraw/zinc/05/97/56/645059756.db2.gz WYOYYKIIQUHHGB-SECBINFHSA-N 1 2 384.267 2.006 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000545464710 650975474 /nfs/dbraw/zinc/97/54/74/650975474.db2.gz HUUZBMBJAYOCIW-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO COc1cc(Br)cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000545464710 650975478 /nfs/dbraw/zinc/97/54/78/650975478.db2.gz HUUZBMBJAYOCIW-MNOVXSKESA-N 1 2 377.304 2.171 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC000186729828 645073216 /nfs/dbraw/zinc/07/32/16/645073216.db2.gz NQTJQHSQRPIOSK-UHFFFAOYSA-N 1 2 379.258 2.131 20 0 GEADLO C[C@H]1CN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CC[N@@H+]1CCO ZINC000187298137 645087778 /nfs/dbraw/zinc/08/77/78/645087778.db2.gz GADBUVCWKOHZMV-LBPRGKRZSA-N 1 2 383.279 2.318 20 0 GEADLO C[C@H]1CN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CC[N@H+]1CCO ZINC000187298137 645087782 /nfs/dbraw/zinc/08/77/82/645087782.db2.gz GADBUVCWKOHZMV-LBPRGKRZSA-N 1 2 383.279 2.318 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188806926 645126661 /nfs/dbraw/zinc/12/66/61/645126661.db2.gz ZYMBDZHVVSMCEF-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@H+]1CC(C)(C)O ZINC000188806926 645126665 /nfs/dbraw/zinc/12/66/65/645126665.db2.gz ZYMBDZHVVSMCEF-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)c1nnnn1C1CC1 ZINC000191503648 645176698 /nfs/dbraw/zinc/17/66/98/645176698.db2.gz WDKXRQYDTRTXPT-VIFPVBQESA-N 1 2 399.318 2.141 20 0 GEADLO Cc1cccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1Br ZINC000545975899 650986926 /nfs/dbraw/zinc/98/69/26/650986926.db2.gz MPRMGFMOHYCDJA-UHFFFAOYSA-N 1 2 379.258 2.489 20 0 GEADLO Cn1nc(Br)cc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000192108545 645194341 /nfs/dbraw/zinc/19/43/41/645194341.db2.gz LQMXNEMVIKRYIN-UHFFFAOYSA-N 1 2 379.258 2.267 20 0 GEADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1sccc1-n1cnnn1 ZINC000193112445 645242910 /nfs/dbraw/zinc/24/29/10/645242910.db2.gz ULPOZTGDPLFXNL-UHFFFAOYSA-N 1 2 375.483 2.419 20 0 GEADLO CCn1ncnc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000193416827 645270727 /nfs/dbraw/zinc/27/07/27/645270727.db2.gz DKTGOQARIOSJKU-LBPRGKRZSA-N 1 2 393.289 2.306 20 0 GEADLO CCn1ncnc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000193416827 645270735 /nfs/dbraw/zinc/27/07/35/645270735.db2.gz DKTGOQARIOSJKU-LBPRGKRZSA-N 1 2 393.289 2.306 20 0 GEADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000193579125 645286676 /nfs/dbraw/zinc/28/66/76/645286676.db2.gz DGIKRXKSUCQIIE-TXEJJXNPSA-N 1 2 388.295 2.500 20 0 GEADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000193579125 645286681 /nfs/dbraw/zinc/28/66/81/645286681.db2.gz DGIKRXKSUCQIIE-TXEJJXNPSA-N 1 2 388.295 2.500 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)NC(C)(C)COc1ncccc1Br ZINC000193620276 645290411 /nfs/dbraw/zinc/29/04/11/645290411.db2.gz FPHOECICPXZRAQ-UHFFFAOYSA-N 1 2 381.274 2.484 20 0 GEADLO CC(=O)N1CCC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000194010512 645307608 /nfs/dbraw/zinc/30/76/08/645307608.db2.gz GNCOGVBYKZBNMI-UHFFFAOYSA-N 1 2 388.331 2.023 20 0 GEADLO CC(=O)N1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000194010512 645307614 /nfs/dbraw/zinc/30/76/14/645307614.db2.gz GNCOGVBYKZBNMI-UHFFFAOYSA-N 1 2 388.331 2.023 20 0 GEADLO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000194359392 645324024 /nfs/dbraw/zinc/32/40/24/645324024.db2.gz SHSAJXWUDVOJEZ-RDJZCZTQSA-N 1 2 395.297 2.076 20 0 GEADLO Cn1c[nH+]cc1Cc1noc(CCNC(=O)c2ccc(Br)cc2)n1 ZINC000546555598 651001810 /nfs/dbraw/zinc/00/18/10/651001810.db2.gz LBYHHLSPSOAHPJ-UHFFFAOYSA-N 1 2 390.241 2.129 20 0 GEADLO COCc1c(Br)cccc1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000194753603 645347392 /nfs/dbraw/zinc/34/73/92/645347392.db2.gz KHGVHZYLAQKIKF-GFCCVEGCSA-N 1 2 386.290 2.438 20 0 GEADLO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000195026961 645355124 /nfs/dbraw/zinc/35/51/24/645355124.db2.gz FHLDRXUQPSVOOQ-LBPRGKRZSA-N 1 2 389.315 2.067 20 0 GEADLO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000195026961 645355129 /nfs/dbraw/zinc/35/51/29/645355129.db2.gz FHLDRXUQPSVOOQ-LBPRGKRZSA-N 1 2 389.315 2.067 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)COC3CCOCC3)[nH+]c12 ZINC000546768062 651009198 /nfs/dbraw/zinc/00/91/98/651009198.db2.gz MKBGTDWLYCVXAA-UHFFFAOYSA-N 1 2 396.285 2.260 20 0 GEADLO O[C@H](CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)C[NH+]1CCOCC1 ZINC000245399781 645453114 /nfs/dbraw/zinc/45/31/14/645453114.db2.gz AYOQOUYKKOHTPV-WMLDXEAASA-N 1 2 375.296 2.060 20 0 GEADLO CO[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000246105183 645475516 /nfs/dbraw/zinc/47/55/16/645475516.db2.gz KMQJDYOAHRCKBH-PBHICJAKSA-N 1 2 396.285 2.284 20 0 GEADLO CO[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000246105183 645475519 /nfs/dbraw/zinc/47/55/19/645475519.db2.gz KMQJDYOAHRCKBH-PBHICJAKSA-N 1 2 396.285 2.284 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000246753157 645492665 /nfs/dbraw/zinc/49/26/65/645492665.db2.gz NEOASVLWPGPDLJ-NWDGAFQWSA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000246753157 645492671 /nfs/dbraw/zinc/49/26/71/645492671.db2.gz NEOASVLWPGPDLJ-NWDGAFQWSA-N 1 2 384.325 2.488 20 0 GEADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000247541173 645512507 /nfs/dbraw/zinc/51/25/07/645512507.db2.gz YKEZEUNHMSFVST-RBSFLKMASA-N 1 2 387.571 2.348 20 0 GEADLO O=S(=O)([C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1)N1CCCC1 ZINC000248566741 645531735 /nfs/dbraw/zinc/53/17/35/645531735.db2.gz PDNNMQNOQOHQTG-CJNGLKHVSA-N 1 2 376.881 2.012 20 0 GEADLO O=S(=O)([C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1)N1CCCC1 ZINC000248566741 645531738 /nfs/dbraw/zinc/53/17/38/645531738.db2.gz PDNNMQNOQOHQTG-CJNGLKHVSA-N 1 2 376.881 2.012 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000248819051 645539723 /nfs/dbraw/zinc/53/97/23/645539723.db2.gz LEBNQZNZTNBMDI-XJKSGUPXSA-N 1 2 378.519 2.402 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000248819051 645539728 /nfs/dbraw/zinc/53/97/28/645539728.db2.gz LEBNQZNZTNBMDI-XJKSGUPXSA-N 1 2 378.519 2.402 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000249206965 645550006 /nfs/dbraw/zinc/55/00/06/645550006.db2.gz RYOJTJMSWWLBMD-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000249206965 645550012 /nfs/dbraw/zinc/55/00/12/645550012.db2.gz RYOJTJMSWWLBMD-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO Cc1cc(Br)cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261617175 645590183 /nfs/dbraw/zinc/59/01/83/645590183.db2.gz BKTWMGLSRGDWGT-INIZCTEOSA-N 1 2 396.310 2.488 20 0 GEADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCSc2ccccc2Br)C1 ZINC000264695303 645703347 /nfs/dbraw/zinc/70/33/47/645703347.db2.gz BYSSYONDRKNMAA-ZDUSSCGKSA-N 1 2 386.359 2.293 20 0 GEADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCSc2ccccc2Br)C1 ZINC000264695303 645703353 /nfs/dbraw/zinc/70/33/53/645703353.db2.gz BYSSYONDRKNMAA-ZDUSSCGKSA-N 1 2 386.359 2.293 20 0 GEADLO C[N@H+](CCN1CCOCC1)Cc1nc(-c2cc(Br)cs2)no1 ZINC000264849066 645723088 /nfs/dbraw/zinc/72/30/88/645723088.db2.gz LFBSPEFAUSCCHS-UHFFFAOYSA-N 1 2 387.303 2.325 20 0 GEADLO C[N@@H+](CCN1CCOCC1)Cc1nc(-c2cc(Br)cs2)no1 ZINC000264849066 645723094 /nfs/dbraw/zinc/72/30/94/645723094.db2.gz LFBSPEFAUSCCHS-UHFFFAOYSA-N 1 2 387.303 2.325 20 0 GEADLO COc1ccc(Br)c(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000547628701 651040041 /nfs/dbraw/zinc/04/00/41/651040041.db2.gz LIOUJEFMXPOUIZ-GFCCVEGCSA-N 1 2 379.258 2.468 20 0 GEADLO Cc1cnc(N2CC[NH+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)s1 ZINC000265448504 645759781 /nfs/dbraw/zinc/75/97/81/645759781.db2.gz SPKFWTYPXSCJCS-UHFFFAOYSA-N 1 2 375.885 2.435 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000265984223 645816339 /nfs/dbraw/zinc/81/63/39/645816339.db2.gz ZTYQYJNWTAJGPU-CZUORRHYSA-N 1 2 396.329 2.020 20 0 GEADLO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000265984223 645816342 /nfs/dbraw/zinc/81/63/42/645816342.db2.gz ZTYQYJNWTAJGPU-CZUORRHYSA-N 1 2 396.329 2.020 20 0 GEADLO CC(C)(C)[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(F)(F)F ZINC000547855144 651047959 /nfs/dbraw/zinc/04/79/59/651047959.db2.gz QPGXFOYOGXCHDF-WFASDCNBSA-N 1 2 383.480 2.471 20 0 GEADLO CSc1ccc(OCC[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000266729185 645860302 /nfs/dbraw/zinc/86/03/02/645860302.db2.gz KEFQWBRKMAOUPJ-DOTOQJQBSA-N 1 2 385.551 2.455 20 0 GEADLO CSc1ccc(OCC[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000266729185 645860319 /nfs/dbraw/zinc/86/03/19/645860319.db2.gz KEFQWBRKMAOUPJ-DOTOQJQBSA-N 1 2 385.551 2.455 20 0 GEADLO C[C@H](NC(=O)C[S@@](=O)Cc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000268182062 645950555 /nfs/dbraw/zinc/95/05/55/645950555.db2.gz UDIBHECNKGUMMS-SAHAZLINSA-N 1 2 384.299 2.309 20 0 GEADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000268227035 645955668 /nfs/dbraw/zinc/95/56/68/645955668.db2.gz UMPPZAKGHLGSGB-GFCCVEGCSA-N 1 2 379.265 2.082 20 0 GEADLO COc1ccc(C(=O)NCCCn2cc[nH+]c2)c(I)c1 ZINC000268449400 645969490 /nfs/dbraw/zinc/96/94/90/645969490.db2.gz OYVYJUAROUZDEB-UHFFFAOYSA-N 1 2 385.205 2.316 20 0 GEADLO CSc1nsc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000268647167 645983038 /nfs/dbraw/zinc/98/30/38/645983038.db2.gz SWXWBHOJSPXBKT-ZDUSSCGKSA-N 1 2 379.511 2.283 20 0 GEADLO CSc1nsc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000268647167 645983048 /nfs/dbraw/zinc/98/30/48/645983048.db2.gz SWXWBHOJSPXBKT-ZDUSSCGKSA-N 1 2 379.511 2.283 20 0 GEADLO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)c1 ZINC000269644871 646047933 /nfs/dbraw/zinc/04/79/33/646047933.db2.gz AEPMIDUFTFUBKZ-ZIAGYGMSSA-N 1 2 385.555 2.139 20 0 GEADLO COC(=O)c1ccc(OCC[N@H+](CCS(C)(=O)=O)C(C)C)c(Cl)c1 ZINC000270300288 646101153 /nfs/dbraw/zinc/10/11/53/646101153.db2.gz BJDZCDHNJOXZIK-UHFFFAOYSA-N 1 2 377.890 2.260 20 0 GEADLO COC(=O)c1ccc(OCC[N@@H+](CCS(C)(=O)=O)C(C)C)c(Cl)c1 ZINC000270300288 646101155 /nfs/dbraw/zinc/10/11/55/646101155.db2.gz BJDZCDHNJOXZIK-UHFFFAOYSA-N 1 2 377.890 2.260 20 0 GEADLO CN(C(=O)c1csc(S(C)(=O)=O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000271201544 646178624 /nfs/dbraw/zinc/17/86/24/646178624.db2.gz IRWOBPKOPFSKNX-MRXNPFEDSA-N 1 2 378.519 2.498 20 0 GEADLO CN(C(=O)c1csc(S(C)(=O)=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271201544 646178628 /nfs/dbraw/zinc/17/86/28/646178628.db2.gz IRWOBPKOPFSKNX-MRXNPFEDSA-N 1 2 378.519 2.498 20 0 GEADLO CCOc1c(Cl)cc(C[NH+]2CCC(S(=O)(=O)NC)CC2)cc1OC ZINC000271211104 646180028 /nfs/dbraw/zinc/18/00/28/646180028.db2.gz YIPOWYBNHGDKEA-UHFFFAOYSA-N 1 2 376.906 2.261 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3scnc3C)CC2)cc1 ZINC000271269494 646187305 /nfs/dbraw/zinc/18/73/05/646187305.db2.gz JEWURFJDUQJTEE-UHFFFAOYSA-N 1 2 381.523 2.357 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3scnc3C)CC2)cc1 ZINC000271269494 646187308 /nfs/dbraw/zinc/18/73/08/646187308.db2.gz JEWURFJDUQJTEE-UHFFFAOYSA-N 1 2 381.523 2.357 20 0 GEADLO CCCOc1c(Br)cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)cc1OC ZINC000271358030 646195245 /nfs/dbraw/zinc/19/52/45/646195245.db2.gz QKNUEVLAFJTPNQ-GFCCVEGCSA-N 1 2 386.290 2.489 20 0 GEADLO CCCOc1c(Br)cc(C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1OC ZINC000271358030 646195248 /nfs/dbraw/zinc/19/52/48/646195248.db2.gz QKNUEVLAFJTPNQ-GFCCVEGCSA-N 1 2 386.290 2.489 20 0 GEADLO C[C@H]1CCN(C(=O)c2nccn3c(Br)cnc23)C[C@H]1n1cc[nH+]c1 ZINC000271457215 646208533 /nfs/dbraw/zinc/20/85/33/646208533.db2.gz SPYAKSDSOCJOCE-NWDGAFQWSA-N 1 2 389.257 2.412 20 0 GEADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272283727 646263661 /nfs/dbraw/zinc/26/36/61/646263661.db2.gz YRHMFSLSMAWCSU-UHFFFAOYSA-N 1 2 396.340 2.367 20 0 GEADLO Cc1nc(CNC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)no1 ZINC000273219699 646310550 /nfs/dbraw/zinc/31/05/50/646310550.db2.gz BQYHTAYGIGQRMU-UHFFFAOYSA-N 1 2 393.245 2.139 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N3CC(C(C)(C)O)C3)[nH+]c12 ZINC000275821898 646360626 /nfs/dbraw/zinc/36/06/26/646360626.db2.gz NBFHWLFVLIZLHC-UHFFFAOYSA-N 1 2 395.301 2.360 20 0 GEADLO Cn1ncc(Br)c1C[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000278573725 646526664 /nfs/dbraw/zinc/52/66/64/646526664.db2.gz XRQKWSDOAWSAQI-UHFFFAOYSA-N 1 2 383.265 2.448 20 0 GEADLO COc1ccc(Br)cc1-c1nc(C[NH+]2C[C@H](O)[C@@H](O)C2)cs1 ZINC000278628688 646532620 /nfs/dbraw/zinc/53/26/20/646532620.db2.gz GGRLCDMBWQNAJN-STQMWFEESA-N 1 2 385.283 2.119 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000278659185 646535948 /nfs/dbraw/zinc/53/59/48/646535948.db2.gz KJMGUTPGNDQLQL-VXGBXAGGSA-N 1 2 394.331 2.365 20 0 GEADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000278659185 646535952 /nfs/dbraw/zinc/53/59/52/646535952.db2.gz KJMGUTPGNDQLQL-VXGBXAGGSA-N 1 2 394.331 2.365 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c(C)c1Cl ZINC000278815461 646552721 /nfs/dbraw/zinc/55/27/21/646552721.db2.gz NWSQECSILBJVHR-UHFFFAOYSA-N 1 2 391.902 2.404 20 0 GEADLO CS(=O)(=O)C1(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000279589194 646614140 /nfs/dbraw/zinc/61/41/40/646614140.db2.gz HLEWOIVVGITUPM-AWEZNQCLSA-N 1 2 385.555 2.152 20 0 GEADLO Cc1nn(C)c(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c1Br ZINC000279822352 646630483 /nfs/dbraw/zinc/63/04/83/646630483.db2.gz MHOOXPYFLXJZQH-HNNXBMFYSA-N 1 2 382.306 2.170 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCC[C@@H](C)O)[nH+]c12 ZINC000280162663 646657624 /nfs/dbraw/zinc/65/76/24/646657624.db2.gz XVSSTLORGAELJQ-GFCCVEGCSA-N 1 2 383.290 2.408 20 0 GEADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000280669061 646704107 /nfs/dbraw/zinc/70/41/07/646704107.db2.gz BGZNDHMQSSZULR-VIFPVBQESA-N 1 2 383.461 2.443 20 0 GEADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000280768060 646714595 /nfs/dbraw/zinc/71/45/95/646714595.db2.gz MOLZHVJRLZAPKZ-CYBMUJFWSA-N 1 2 376.463 2.188 20 0 GEADLO C[C@@H](NC(=O)C1(c2cncc(Br)c2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000281113719 646747027 /nfs/dbraw/zinc/74/70/27/646747027.db2.gz BMPPBJITPIATER-CHWSQXEVSA-N 1 2 382.302 2.101 20 0 GEADLO Brc1cnn(CCCC[NH2+][C@@H](c2nnc[nH]2)c2cccnc2)c1 ZINC000284892707 646844961 /nfs/dbraw/zinc/84/49/61/646844961.db2.gz BVUHPXDKZOWDKF-CQSZACIVSA-N 1 2 376.262 2.318 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000285646471 646861012 /nfs/dbraw/zinc/86/10/12/646861012.db2.gz DLXWKFPVAUTJPC-TZMCWYRMSA-N 1 2 385.277 2.452 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(Br)cc1 ZINC000287354468 646885238 /nfs/dbraw/zinc/88/52/38/646885238.db2.gz MBBBJXSAOUQXPP-CJNGLKHVSA-N 1 2 382.302 2.454 20 0 GEADLO Cn1cc(Br)c(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n1 ZINC000293048112 647212683 /nfs/dbraw/zinc/21/26/83/647212683.db2.gz XWVVOHIWSUIKBV-MSOLQXFVSA-N 1 2 391.313 2.268 20 0 GEADLO Cn1cc(Br)c(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1 ZINC000293048112 647212690 /nfs/dbraw/zinc/21/26/90/647212690.db2.gz XWVVOHIWSUIKBV-MSOLQXFVSA-N 1 2 391.313 2.268 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cnc(Br)s2)C1 ZINC000295566791 647234423 /nfs/dbraw/zinc/23/44/23/647234423.db2.gz QUOSSOIVQCGDLG-WDEREUQCSA-N 1 2 376.320 2.269 20 0 GEADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cnc(Br)s2)C1 ZINC000295566791 647234426 /nfs/dbraw/zinc/23/44/26/647234426.db2.gz QUOSSOIVQCGDLG-WDEREUQCSA-N 1 2 376.320 2.269 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(OC)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000331217387 647372316 /nfs/dbraw/zinc/37/23/16/647372316.db2.gz QMOPLQAEMAMFPR-KGLIPLIRSA-N 1 2 390.933 2.123 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(OC)cc2C)CC[N@H+]1C[C@@H](C)O ZINC000331217387 647372318 /nfs/dbraw/zinc/37/23/18/647372318.db2.gz QMOPLQAEMAMFPR-KGLIPLIRSA-N 1 2 390.933 2.123 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000331261867 647374981 /nfs/dbraw/zinc/37/49/81/647374981.db2.gz CYSDMJHTQKYNLE-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000331261867 647374986 /nfs/dbraw/zinc/37/49/86/647374986.db2.gz CYSDMJHTQKYNLE-STQMWFEESA-N 1 2 380.432 2.089 20 0 GEADLO CC(C)(CNC(=O)c1cc(Br)c2c(c1)OCCO2)[NH+]1CCOCC1 ZINC000332049456 647408424 /nfs/dbraw/zinc/40/84/24/647408424.db2.gz SYGZSMVRCXLGLK-UHFFFAOYSA-N 1 2 399.285 2.061 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000332058176 647408969 /nfs/dbraw/zinc/40/89/69/647408969.db2.gz WLQHSGOONMCJEK-GFCCVEGCSA-N 1 2 381.270 2.062 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCc2ccsc2Br)CCO1 ZINC000332562275 647445614 /nfs/dbraw/zinc/44/56/14/647445614.db2.gz RGBBGACFCAHZTB-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCc2ccsc2Br)CCO1 ZINC000332562275 647445623 /nfs/dbraw/zinc/44/56/23/647445623.db2.gz RGBBGACFCAHZTB-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)c2ccc(Br)o2)C[C@H](C)O1 ZINC000332558306 647445786 /nfs/dbraw/zinc/44/57/86/647445786.db2.gz PHSOZMNLLOHFEQ-TXEJJXNPSA-N 1 2 395.319 2.210 20 0 GEADLO C[C@@H]1C[N@H+](CCCCNS(=O)(=O)c2ccc(Br)o2)C[C@H](C)O1 ZINC000332558306 647445791 /nfs/dbraw/zinc/44/57/91/647445791.db2.gz PHSOZMNLLOHFEQ-TXEJJXNPSA-N 1 2 395.319 2.210 20 0 GEADLO CC1(C)CC[N@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CCS1 ZINC000332987635 647457630 /nfs/dbraw/zinc/45/76/30/647457630.db2.gz AIZRAEGDTHTOCL-INIZCTEOSA-N 1 2 388.599 2.162 20 0 GEADLO CC1(C)CC[N@@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CCS1 ZINC000332987635 647457635 /nfs/dbraw/zinc/45/76/35/647457635.db2.gz AIZRAEGDTHTOCL-INIZCTEOSA-N 1 2 388.599 2.162 20 0 GEADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000333621871 647476829 /nfs/dbraw/zinc/47/68/29/647476829.db2.gz PRRHXFGRAPQNHC-AWEZNQCLSA-N 1 2 382.555 2.484 20 0 GEADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000333621871 647476834 /nfs/dbraw/zinc/47/68/34/647476834.db2.gz PRRHXFGRAPQNHC-AWEZNQCLSA-N 1 2 382.555 2.484 20 0 GEADLO C[C@@H](CNC(=O)N1CC[S@](=O)C(C)(C)CC1)[N@@H+]1CCc2sccc2C1 ZINC000333953788 647487123 /nfs/dbraw/zinc/48/71/23/647487123.db2.gz DRAVSVVELBAWER-SXBQZSJRSA-N 1 2 383.583 2.437 20 0 GEADLO C[C@@H](CNC(=O)N1CC[S@](=O)C(C)(C)CC1)[N@H+]1CCc2sccc2C1 ZINC000333953788 647487128 /nfs/dbraw/zinc/48/71/28/647487128.db2.gz DRAVSVVELBAWER-SXBQZSJRSA-N 1 2 383.583 2.437 20 0 GEADLO CC(C)[N@@H+]1CCO[C@@H](c2nc(Cc3cc(Br)c[nH]c3=O)no2)C1 ZINC000351234398 647551658 /nfs/dbraw/zinc/55/16/58/647551658.db2.gz PTSIWCBQOXKFDD-GFCCVEGCSA-N 1 2 383.246 2.305 20 0 GEADLO CC(C)[N@H+]1CCO[C@@H](c2nc(Cc3cc(Br)c[nH]c3=O)no2)C1 ZINC000351234398 647551665 /nfs/dbraw/zinc/55/16/65/647551665.db2.gz PTSIWCBQOXKFDD-GFCCVEGCSA-N 1 2 383.246 2.305 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1c(Cl)ccnc1Cl ZINC000361146535 647560740 /nfs/dbraw/zinc/56/07/40/647560740.db2.gz ZKLADSYNGUUOTD-AAEUAGOBSA-N 1 2 394.324 2.168 20 0 GEADLO Cn1c(=O)cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)n(C)c1=O ZINC000361576735 647561542 /nfs/dbraw/zinc/56/15/42/647561542.db2.gz PEQDRIDNWDJLFI-HNNXBMFYSA-N 1 2 378.270 2.184 20 0 GEADLO Cn1c(=O)cc(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)n(C)c1=O ZINC000361576735 647561545 /nfs/dbraw/zinc/56/15/45/647561545.db2.gz PEQDRIDNWDJLFI-HNNXBMFYSA-N 1 2 378.270 2.184 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2SC)C1 ZINC000362337826 647569786 /nfs/dbraw/zinc/56/97/86/647569786.db2.gz YTINLFVMXDGARM-GFCCVEGCSA-N 1 2 379.345 2.295 20 0 GEADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2SC)C1 ZINC000362337826 647569787 /nfs/dbraw/zinc/56/97/87/647569787.db2.gz YTINLFVMXDGARM-GFCCVEGCSA-N 1 2 379.345 2.295 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000363133690 647586024 /nfs/dbraw/zinc/58/60/24/647586024.db2.gz WRQRBDWIQOFFKU-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000363133690 647586027 /nfs/dbraw/zinc/58/60/27/647586027.db2.gz WRQRBDWIQOFFKU-UHFFFAOYSA-N 1 2 383.290 2.043 20 0 GEADLO NC(=O)NC(=O)CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000363481778 647596686 /nfs/dbraw/zinc/59/66/86/647596686.db2.gz LBCNBGBBBHHZNJ-ZDUSSCGKSA-N 1 2 387.267 2.371 20 0 GEADLO NC(=O)NC(=O)CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000363481778 647596694 /nfs/dbraw/zinc/59/66/94/647596694.db2.gz LBCNBGBBBHHZNJ-ZDUSSCGKSA-N 1 2 387.267 2.371 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000363632110 647603529 /nfs/dbraw/zinc/60/35/29/647603529.db2.gz XLXLGIXMFFWKNS-UHFFFAOYSA-N 1 2 396.329 2.007 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000363632110 647603530 /nfs/dbraw/zinc/60/35/30/647603530.db2.gz XLXLGIXMFFWKNS-UHFFFAOYSA-N 1 2 396.329 2.007 20 0 GEADLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000364328557 647621614 /nfs/dbraw/zinc/62/16/14/647621614.db2.gz DALZEMSKVBQPNI-CYBMUJFWSA-N 1 2 382.251 2.295 20 0 GEADLO COc1ccc(Cl)c(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000364753317 647640317 /nfs/dbraw/zinc/64/03/17/647640317.db2.gz FKWXVDBLYHXAJA-LBPRGKRZSA-N 1 2 376.931 2.160 20 0 GEADLO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)c3cc(Br)ccc3O)C2)CC1 ZINC000365273932 647666075 /nfs/dbraw/zinc/66/60/75/647666075.db2.gz PBKOWGXAKSXDHC-AWEZNQCLSA-N 1 2 396.329 2.254 20 0 GEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)N(C)CC3CC3)CC2)cs1 ZINC000365488465 647673680 /nfs/dbraw/zinc/67/36/80/647673680.db2.gz ZEBSEIBHZVZFDN-UHFFFAOYSA-N 1 2 386.587 2.094 20 0 GEADLO COC(=O)[C@H]1C[C@H](NC(=O)CCCOc2ccc(Cl)cc2Cl)C[NH2+]1 ZINC000365678524 647681534 /nfs/dbraw/zinc/68/15/34/647681534.db2.gz PMIIFBNDRSTNCG-WCQYABFASA-N 1 2 375.252 2.172 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000365737110 647684539 /nfs/dbraw/zinc/68/45/39/647684539.db2.gz OBGFRSSJVFWJRM-IAOVAPTHSA-N 1 2 388.302 2.235 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000365737110 647684544 /nfs/dbraw/zinc/68/45/44/647684544.db2.gz OBGFRSSJVFWJRM-IAOVAPTHSA-N 1 2 388.302 2.235 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000365737623 647684563 /nfs/dbraw/zinc/68/45/63/647684563.db2.gz OBGFRSSJVFWJRM-RRQGHBQHSA-N 1 2 388.302 2.235 20 0 GEADLO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000365737623 647684571 /nfs/dbraw/zinc/68/45/71/647684571.db2.gz OBGFRSSJVFWJRM-RRQGHBQHSA-N 1 2 388.302 2.235 20 0 GEADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(Br)c1 ZINC000367017349 647715184 /nfs/dbraw/zinc/71/51/84/647715184.db2.gz VRRTZGQRXKDJQZ-MRXNPFEDSA-N 1 2 383.242 2.310 20 0 GEADLO COC(=O)c1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(Br)c1 ZINC000367017349 647715186 /nfs/dbraw/zinc/71/51/86/647715186.db2.gz VRRTZGQRXKDJQZ-MRXNPFEDSA-N 1 2 383.242 2.310 20 0 GEADLO Cc1[nH]c(=O)c(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1Br ZINC000367086686 647718792 /nfs/dbraw/zinc/71/87/92/647718792.db2.gz VECYEYQREQCVTD-CQSZACIVSA-N 1 2 377.242 2.040 20 0 GEADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000368829088 647765760 /nfs/dbraw/zinc/76/57/60/647765760.db2.gz JAFRGQVJLGUTFB-LBPRGKRZSA-N 1 2 388.295 2.041 20 0 GEADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000368829088 647765766 /nfs/dbraw/zinc/76/57/66/647765766.db2.gz JAFRGQVJLGUTFB-LBPRGKRZSA-N 1 2 388.295 2.041 20 0 GEADLO Cn1cc(Br)cc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1=O ZINC000370226176 647783317 /nfs/dbraw/zinc/78/33/17/647783317.db2.gz CYBCULCCJLNGQW-UHFFFAOYSA-N 1 2 394.273 2.045 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000372582346 647807292 /nfs/dbraw/zinc/80/72/92/647807292.db2.gz BONOEKBYZDHKKR-AWEZNQCLSA-N 1 2 386.901 2.157 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000372582346 647807297 /nfs/dbraw/zinc/80/72/97/647807297.db2.gz BONOEKBYZDHKKR-AWEZNQCLSA-N 1 2 386.901 2.157 20 0 GEADLO Cc1[nH]cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(=O)c1Br ZINC000376100208 647839625 /nfs/dbraw/zinc/83/96/25/647839625.db2.gz ZNUGIVJJDIZQOO-LLVKDONJSA-N 1 2 379.258 2.199 20 0 GEADLO COc1cccc(S(=O)(=O)CC[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000409449563 647961083 /nfs/dbraw/zinc/96/10/83/647961083.db2.gz PXWVCRPYVYYTTK-NVXWUHKLSA-N 1 2 385.551 2.455 20 0 GEADLO COc1cccc(S(=O)(=O)CC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000409449563 647961088 /nfs/dbraw/zinc/96/10/88/647961088.db2.gz PXWVCRPYVYYTTK-NVXWUHKLSA-N 1 2 385.551 2.455 20 0 GEADLO C[C@@H](O)C(=O)N1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000409729028 647981064 /nfs/dbraw/zinc/98/10/64/647981064.db2.gz QHGKSPVFJOPBOL-SNVBAGLBSA-N 1 2 382.233 2.166 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)[C@H](C)Oc2ccc(Br)cc2)CCO1 ZINC000410000962 647990942 /nfs/dbraw/zinc/99/09/42/647990942.db2.gz VNPZCZVROWOFJR-DZGCQCFKSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@H](C)Oc2ccc(Br)cc2)CCO1 ZINC000410000962 647990946 /nfs/dbraw/zinc/99/09/46/647990946.db2.gz VNPZCZVROWOFJR-DZGCQCFKSA-N 1 2 385.302 2.443 20 0 GEADLO C[C@@](O)(C[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)C(F)(F)F ZINC000410334004 648002008 /nfs/dbraw/zinc/00/20/08/648002008.db2.gz BHMRVPCIRMELQM-OAHLLOKOSA-N 1 2 376.810 2.419 20 0 GEADLO C[C@@H](CN1CCOCC1)[N@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000411695964 648032116 /nfs/dbraw/zinc/03/21/16/648032116.db2.gz RZHMUBSPJOASEA-ZDUSSCGKSA-N 1 2 380.539 2.463 20 0 GEADLO C[C@@H](CN1CCOCC1)[N@@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000411695964 648032120 /nfs/dbraw/zinc/03/21/20/648032120.db2.gz RZHMUBSPJOASEA-ZDUSSCGKSA-N 1 2 380.539 2.463 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000411695964 648032125 /nfs/dbraw/zinc/03/21/25/648032125.db2.gz RZHMUBSPJOASEA-ZDUSSCGKSA-N 1 2 380.539 2.463 20 0 GEADLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416426083 648124030 /nfs/dbraw/zinc/12/40/30/648124030.db2.gz HLPUPFOSEDFEQT-UHFFFAOYSA-N 1 2 384.841 2.363 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@@H](C)C1 ZINC000420685724 648435888 /nfs/dbraw/zinc/43/58/88/648435888.db2.gz GJMGHJZUFFMERF-WDEREUQCSA-N 1 2 398.859 2.017 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@@H](C)C1 ZINC000420685724 648435892 /nfs/dbraw/zinc/43/58/92/648435892.db2.gz GJMGHJZUFFMERF-WDEREUQCSA-N 1 2 398.859 2.017 20 0 GEADLO CNC(=O)[C@@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000421652684 648502742 /nfs/dbraw/zinc/50/27/42/648502742.db2.gz UDDDXRIQDHQQIE-GDBMZVCRSA-N 1 2 394.313 2.181 20 0 GEADLO COc1cccc([C@H](CNC(=O)c2ccc(S(C)(=O)=O)s2)[NH+](C)C)c1 ZINC000421742237 648506873 /nfs/dbraw/zinc/50/68/73/648506873.db2.gz RHHFPUSRUKHKQU-AWEZNQCLSA-N 1 2 382.507 2.193 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000422086982 648520520 /nfs/dbraw/zinc/52/05/20/648520520.db2.gz FXBBCEUTCXDFDW-JTQLQIEISA-N 1 2 399.676 2.120 20 0 GEADLO Cc1cc(CNC(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)cc(C)[nH+]1 ZINC000422376251 648541086 /nfs/dbraw/zinc/54/10/86/648541086.db2.gz HNVUNQUUKLZKHW-GFCCVEGCSA-N 1 2 391.269 2.350 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CS1 ZINC000422384540 648541973 /nfs/dbraw/zinc/54/19/73/648541973.db2.gz GFPDPZNLDXIIBR-MSQAHXEGSA-N 1 2 381.929 2.212 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CS1 ZINC000422384540 648541975 /nfs/dbraw/zinc/54/19/75/648541975.db2.gz GFPDPZNLDXIIBR-MSQAHXEGSA-N 1 2 381.929 2.212 20 0 GEADLO [NH3+][C@@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1cscn1 ZINC000422968315 648579395 /nfs/dbraw/zinc/57/93/95/648579395.db2.gz WHUOKXRXEHCUPN-CQSZACIVSA-N 1 2 399.303 2.434 20 0 GEADLO [NH3+][C@H](C(=O)NCCc1ccc(I)s1)c1cscn1 ZINC000423137770 648584119 /nfs/dbraw/zinc/58/41/19/648584119.db2.gz RMGMZRCIDBBMSV-JTQLQIEISA-N 1 2 393.275 2.168 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(Br)cs1 ZINC000518244788 648591456 /nfs/dbraw/zinc/59/14/56/648591456.db2.gz DQLDMJVCUQHBSN-UHFFFAOYSA-N 1 2 385.287 2.292 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000425210616 648671215 /nfs/dbraw/zinc/67/12/15/648671215.db2.gz WQGGEKGIZMYTQY-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO CC[C@H]([NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1)c1nc(C)cs1 ZINC000425452256 648678194 /nfs/dbraw/zinc/67/81/94/648678194.db2.gz CPNYOTRJZFDZJL-HNNXBMFYSA-N 1 2 381.523 2.212 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000428488718 648735745 /nfs/dbraw/zinc/73/57/45/648735745.db2.gz YEKKHQLWLIXARZ-HIFRSBDPSA-N 1 2 395.301 2.185 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000428486664 648735857 /nfs/dbraw/zinc/73/58/57/648735857.db2.gz WREFGLDSQBKILC-DZGCQCFKSA-N 1 2 395.301 2.185 20 0 GEADLO COc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(Br)c1 ZINC000432835284 648781642 /nfs/dbraw/zinc/78/16/42/648781642.db2.gz GSKJEZURYPFZBX-CYBMUJFWSA-N 1 2 384.274 2.442 20 0 GEADLO COc1ccc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c(Br)c1 ZINC000432835284 648781647 /nfs/dbraw/zinc/78/16/47/648781647.db2.gz GSKJEZURYPFZBX-CYBMUJFWSA-N 1 2 384.274 2.442 20 0 GEADLO C[C@](O)(CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(F)(F)F ZINC000443578796 648881669 /nfs/dbraw/zinc/88/16/69/648881669.db2.gz QUBCSFXHNRUNSY-HNNXBMFYSA-N 1 2 379.810 2.311 20 0 GEADLO C[C@](O)(CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C(F)(F)F ZINC000443578796 648881675 /nfs/dbraw/zinc/88/16/75/648881675.db2.gz QUBCSFXHNRUNSY-HNNXBMFYSA-N 1 2 379.810 2.311 20 0 GEADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N[C@@H](CO)CC(F)(F)F ZINC000443570141 648881833 /nfs/dbraw/zinc/88/18/33/648881833.db2.gz ZNCUFVJGAHBTBS-GFCCVEGCSA-N 1 2 379.810 2.311 20 0 GEADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N[C@@H](CO)CC(F)(F)F ZINC000443570141 648881835 /nfs/dbraw/zinc/88/18/35/648881835.db2.gz ZNCUFVJGAHBTBS-GFCCVEGCSA-N 1 2 379.810 2.311 20 0 GEADLO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000548352435 651077424 /nfs/dbraw/zinc/07/74/24/651077424.db2.gz HNXYBPJTAYPYMS-MRXNPFEDSA-N 1 2 385.277 2.440 20 0 GEADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000548603578 651081705 /nfs/dbraw/zinc/08/17/05/651081705.db2.gz MHSHNZIXDMXNIM-LLVKDONJSA-N 1 2 395.301 2.192 20 0 GEADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000548603578 651081708 /nfs/dbraw/zinc/08/17/08/651081708.db2.gz MHSHNZIXDMXNIM-LLVKDONJSA-N 1 2 395.301 2.192 20 0 GEADLO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000550644394 651113470 /nfs/dbraw/zinc/11/34/70/651113470.db2.gz FVSRMYNHNFASLT-GFCCVEGCSA-N 1 2 391.269 2.305 20 0 GEADLO C[C@@H](NC(=O)NCCc1ccccc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000552331728 651147128 /nfs/dbraw/zinc/14/71/28/651147128.db2.gz JUAHJWXXQCTSMO-KGLIPLIRSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H](C(=O)N[C@H](CO)c1ccc(Br)c(F)c1)[NH+]1CCSCC1 ZINC000554148311 651198863 /nfs/dbraw/zinc/19/88/63/651198863.db2.gz CVFPEBJYXQNFQM-IINYFYTJSA-N 1 2 391.306 2.175 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2F)C[C@H](C)[N@H+]1C ZINC000555421459 651225273 /nfs/dbraw/zinc/22/52/73/651225273.db2.gz PXMGRGBSIGNGSZ-DTORHVGOSA-N 1 2 383.258 2.440 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2F)C[C@H](C)[N@@H+]1C ZINC000555421459 651225275 /nfs/dbraw/zinc/22/52/75/651225275.db2.gz PXMGRGBSIGNGSZ-DTORHVGOSA-N 1 2 383.258 2.440 20 0 GEADLO C[NH+](C)Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000556304516 651240371 /nfs/dbraw/zinc/24/03/71/651240371.db2.gz ZTBWLLVWMZVYAB-UHFFFAOYSA-N 1 2 385.848 2.440 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2Br)C1 ZINC000556992190 651259299 /nfs/dbraw/zinc/25/92/99/651259299.db2.gz SPZSEKQWZNXEHW-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2Br)C1 ZINC000556992190 651259302 /nfs/dbraw/zinc/25/93/02/651259302.db2.gz SPZSEKQWZNXEHW-NSHDSACASA-N 1 2 387.249 2.203 20 0 GEADLO O=S(=O)(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CCC1 ZINC000560458877 651310133 /nfs/dbraw/zinc/31/01/33/651310133.db2.gz WOXBWHCDCQONLS-KRWDZBQOSA-N 1 2 377.535 2.388 20 0 GEADLO O=S(=O)(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CCC1 ZINC000560458877 651310137 /nfs/dbraw/zinc/31/01/37/651310137.db2.gz WOXBWHCDCQONLS-KRWDZBQOSA-N 1 2 377.535 2.388 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000560646396 651313362 /nfs/dbraw/zinc/31/33/62/651313362.db2.gz HOYXHFUTVDAEDR-LBPRGKRZSA-N 1 2 389.279 2.373 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000560646396 651313364 /nfs/dbraw/zinc/31/33/64/651313364.db2.gz HOYXHFUTVDAEDR-LBPRGKRZSA-N 1 2 389.279 2.373 20 0 GEADLO COCc1c(Br)cccc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000560746176 651314271 /nfs/dbraw/zinc/31/42/71/651314271.db2.gz ZBTIXINACMJYNE-LBPRGKRZSA-N 1 2 386.290 2.438 20 0 GEADLO COCc1c(Br)cccc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000560746176 651314272 /nfs/dbraw/zinc/31/42/72/651314272.db2.gz ZBTIXINACMJYNE-LBPRGKRZSA-N 1 2 386.290 2.438 20 0 GEADLO COC(=O)[C@H]([NH3+])Cc1cn(CCSc2cc(Cl)ccc2Cl)nn1 ZINC000603177338 651470666 /nfs/dbraw/zinc/47/06/66/651470666.db2.gz LHGWUSOZWFTBIY-GFCCVEGCSA-N 1 2 375.281 2.420 20 0 GEADLO CSCc1cn(CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)nn1 ZINC000603250104 651474326 /nfs/dbraw/zinc/47/43/26/651474326.db2.gz CEFVKISYYBQIJD-UHFFFAOYSA-N 1 2 380.543 2.468 20 0 GEADLO COC(=O)c1sc2ccccc2c1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000603280177 651476221 /nfs/dbraw/zinc/47/62/21/651476221.db2.gz KQIRXFRMLOZDLC-UHFFFAOYSA-N 1 2 379.463 2.004 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1cc(F)c(F)cc1Br ZINC000561500082 651479414 /nfs/dbraw/zinc/47/94/14/651479414.db2.gz AUPRJEOBAWOAEP-SNVBAGLBSA-N 1 2 392.244 2.247 20 0 GEADLO C[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1(S(C)(=O)=O)CC1 ZINC000561921951 651485575 /nfs/dbraw/zinc/48/55/75/651485575.db2.gz CNPMWVDFBKEMOW-IUODEOHRSA-N 1 2 387.933 2.208 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N(C)Cc2cc(Br)ccc2F)CCO1 ZINC000726253561 651488123 /nfs/dbraw/zinc/48/81/23/651488123.db2.gz ACFAGCHJAFOERG-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)Cc2cc(Br)ccc2F)CCO1 ZINC000726253561 651488126 /nfs/dbraw/zinc/48/81/26/651488126.db2.gz ACFAGCHJAFOERG-LBPRGKRZSA-N 1 2 388.281 2.450 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccccc2I)CCO1 ZINC000726262320 651489192 /nfs/dbraw/zinc/48/91/92/651489192.db2.gz ZYOIOOJTVPWUEL-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccccc2I)CCO1 ZINC000726262320 651489196 /nfs/dbraw/zinc/48/91/96/651489196.db2.gz ZYOIOOJTVPWUEL-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO O=S(=O)(c1cc(F)ccc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563417869 651523721 /nfs/dbraw/zinc/52/37/21/651523721.db2.gz NQOKMGWVERFMQE-CQSZACIVSA-N 1 2 376.881 2.355 20 0 GEADLO CO[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000728050727 651535561 /nfs/dbraw/zinc/53/55/61/651535561.db2.gz YMVCRNGRUAYAGT-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO CO[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000728050727 651535565 /nfs/dbraw/zinc/53/55/65/651535565.db2.gz YMVCRNGRUAYAGT-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO CN(C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000564050680 651553105 /nfs/dbraw/zinc/55/31/05/651553105.db2.gz GGTLRAOVTQBZPL-JYJNAYRXSA-N 1 2 381.929 2.165 20 0 GEADLO CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000564050680 651553109 /nfs/dbraw/zinc/55/31/09/651553109.db2.gz GGTLRAOVTQBZPL-JYJNAYRXSA-N 1 2 381.929 2.165 20 0 GEADLO OC[C@H]1CCCCN1c1cc(NCCCn2cc(Br)cn2)[nH+]cn1 ZINC000564060310 651553380 /nfs/dbraw/zinc/55/33/80/651553380.db2.gz RGDNHEGWDTVWIN-CQSZACIVSA-N 1 2 395.305 2.289 20 0 GEADLO OC[C@H]1CCCCN1c1cc(NCCCn2cc(Br)cn2)nc[nH+]1 ZINC000564060310 651553390 /nfs/dbraw/zinc/55/33/90/651553390.db2.gz RGDNHEGWDTVWIN-CQSZACIVSA-N 1 2 395.305 2.289 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCSC[C@H]2C)cc1 ZINC000564324391 651561357 /nfs/dbraw/zinc/56/13/57/651561357.db2.gz WHHZOCSLMWSGPI-CQSZACIVSA-N 1 2 385.555 2.093 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCSC[C@H]2C)cc1 ZINC000564324391 651561360 /nfs/dbraw/zinc/56/13/60/651561360.db2.gz WHHZOCSLMWSGPI-CQSZACIVSA-N 1 2 385.555 2.093 20 0 GEADLO C[N@H+](Cc1cnn(Cc2ccccc2Cl)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644835970 651571262 /nfs/dbraw/zinc/57/12/62/651571262.db2.gz GZPHIGBZBRGAJE-INIZCTEOSA-N 1 2 382.917 2.051 20 0 GEADLO C[N@@H+](Cc1cnn(Cc2ccccc2Cl)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644835970 651571267 /nfs/dbraw/zinc/57/12/67/651571267.db2.gz GZPHIGBZBRGAJE-INIZCTEOSA-N 1 2 382.917 2.051 20 0 GEADLO Cc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)n1 ZINC000644919855 651577318 /nfs/dbraw/zinc/57/73/18/651577318.db2.gz JINVITUIBZMZID-CQSZACIVSA-N 1 2 380.539 2.476 20 0 GEADLO Cc1nccc([C@@H]2CCC[N@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)n1 ZINC000644919855 651577325 /nfs/dbraw/zinc/57/73/25/651577325.db2.gz JINVITUIBZMZID-CQSZACIVSA-N 1 2 380.539 2.476 20 0 GEADLO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)c1nc2ccccc2s1 ZINC000564907782 651584694 /nfs/dbraw/zinc/58/46/94/651584694.db2.gz GSKLNYNWYZYRLK-CYBMUJFWSA-N 1 2 381.523 2.170 20 0 GEADLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)c1nc2ccccc2s1 ZINC000564907782 651584697 /nfs/dbraw/zinc/58/46/97/651584697.db2.gz GSKLNYNWYZYRLK-CYBMUJFWSA-N 1 2 381.523 2.170 20 0 GEADLO COc1ccsc1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000730059153 651589393 /nfs/dbraw/zinc/58/93/93/651589393.db2.gz UOTUIGWWGBYGEY-UHFFFAOYSA-N 1 2 380.491 2.319 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)CCc2ccc(Br)cc2)CCO1 ZINC000730125140 651591116 /nfs/dbraw/zinc/59/11/16/651591116.db2.gz MCEVWNIHGBDUJR-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)CCc2ccc(Br)cc2)CCO1 ZINC000730125140 651591121 /nfs/dbraw/zinc/59/11/21/651591121.db2.gz MCEVWNIHGBDUJR-CQSZACIVSA-N 1 2 384.318 2.354 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccccc1I ZINC000609205258 651613395 /nfs/dbraw/zinc/61/33/95/651613395.db2.gz MZSKKOGICMQSPE-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccccc1I ZINC000609205258 651613398 /nfs/dbraw/zinc/61/33/98/651613398.db2.gz MZSKKOGICMQSPE-NSHDSACASA-N 1 2 389.237 2.133 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2csc3ccccc23)CC1 ZINC000731648616 651630439 /nfs/dbraw/zinc/63/04/39/651630439.db2.gz PHNMWVANAAGURS-UHFFFAOYSA-N 1 2 380.535 2.069 20 0 GEADLO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCCS1(=O)=O ZINC000567625046 651630728 /nfs/dbraw/zinc/63/07/28/651630728.db2.gz CMKBSPLFMMGNLX-QGZVFWFLSA-N 1 2 384.929 2.245 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)NCCSCC(=O)OC)CC2)s1 ZINC000610014508 651640541 /nfs/dbraw/zinc/64/05/41/651640541.db2.gz WBHFJRINWLNHJU-UHFFFAOYSA-N 1 2 385.555 2.044 20 0 GEADLO Cn1c[nH+]cc1CNS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000645719918 651643088 /nfs/dbraw/zinc/64/30/88/651643088.db2.gz WUFBQCHRXSKNRO-UHFFFAOYSA-N 1 2 378.679 2.456 20 0 GEADLO Cn1cc(CN(CCn2cc[nH+]c2)S(=O)(=O)c2ccccc2Cl)cn1 ZINC000568001782 651644330 /nfs/dbraw/zinc/64/43/30/651644330.db2.gz HZMXPLLWMWDYFW-UHFFFAOYSA-N 1 2 379.873 2.161 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)Cc1cscc1Br)C2 ZINC000568039828 651647510 /nfs/dbraw/zinc/64/75/10/651647510.db2.gz ZPNXZURNPQIWNL-GFCCVEGCSA-N 1 2 398.326 2.224 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)NCCCCn2cc[nH+]c2)c1 ZINC000568157727 651652860 /nfs/dbraw/zinc/65/28/60/651652860.db2.gz MFFVNKMXTVTZNH-UHFFFAOYSA-N 1 2 385.873 2.472 20 0 GEADLO COC(=O)c1cc(NC(=O)NCCn2cc[nH+]c2)c(Br)cc1F ZINC000610327451 651656414 /nfs/dbraw/zinc/65/64/14/651656414.db2.gz FDYFXUBJSZZUFM-UHFFFAOYSA-N 1 2 385.193 2.393 20 0 GEADLO C[C@H](NC(=O)NCc1ccc(Br)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000732467271 651658570 /nfs/dbraw/zinc/65/85/70/651658570.db2.gz VXLOBPZZCPIKMG-RYUDHWBXSA-N 1 2 388.281 2.497 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)s1 ZINC000610471194 651663566 /nfs/dbraw/zinc/66/35/66/651663566.db2.gz GTXJCTZCEMFMJC-UHFFFAOYSA-N 1 2 379.463 2.012 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@H]1C(F)(F)F ZINC000645911480 651667289 /nfs/dbraw/zinc/66/72/89/651667289.db2.gz PEHQKLLDXAETMS-BXUZGUMPSA-N 1 2 386.386 2.261 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@H]1C(F)(F)F ZINC000645911480 651667294 /nfs/dbraw/zinc/66/72/94/651667294.db2.gz PEHQKLLDXAETMS-BXUZGUMPSA-N 1 2 386.386 2.261 20 0 GEADLO O=S(=O)(/C=C\c1cccc(Br)c1)NCC[NH+]1CCSCC1 ZINC000732814638 651675907 /nfs/dbraw/zinc/67/59/07/651675907.db2.gz JMYSZRVEYOSVTE-WCIBSUBMSA-N 1 2 391.356 2.388 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)[C@@H](CS(C)(=O)=O)c1ccccc1)c1cccs1 ZINC000646576725 651703026 /nfs/dbraw/zinc/70/30/26/651703026.db2.gz IUVBNVMOTMSRKV-HOTGVXAUSA-N 1 2 380.535 2.295 20 0 GEADLO O=C(c1cncc(I)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611133896 651709531 /nfs/dbraw/zinc/70/95/31/651709531.db2.gz SZODYOJYIVLCLD-CYBMUJFWSA-N 1 2 382.205 2.360 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000611501171 651726571 /nfs/dbraw/zinc/72/65/71/651726571.db2.gz WMDWZNVTLCEJIV-OZVIIMIRSA-N 1 2 392.279 2.386 20 0 GEADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000611501171 651726576 /nfs/dbraw/zinc/72/65/76/651726576.db2.gz WMDWZNVTLCEJIV-OZVIIMIRSA-N 1 2 392.279 2.386 20 0 GEADLO COCC[NH+]1CCN(C(=O)Nc2nc(Sc3ccccc3)ns2)CC1 ZINC000569856766 651729194 /nfs/dbraw/zinc/72/91/94/651729194.db2.gz FAFAXTHSCLVNIG-UHFFFAOYSA-N 1 2 379.511 2.485 20 0 GEADLO CO[C@H](C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)[C@H]1CCOC1 ZINC000613478122 651788021 /nfs/dbraw/zinc/78/80/21/651788021.db2.gz ASGBVEYDYRANFA-WFASDCNBSA-N 1 2 396.285 2.115 20 0 GEADLO O=S(=O)(c1cccc(Cl)c1F)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000570816727 651793450 /nfs/dbraw/zinc/79/34/50/651793450.db2.gz UBKJXSQUYSRDQM-ZDUSSCGKSA-N 1 2 376.881 2.355 20 0 GEADLO C[C@@H]1[C@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC[N@@H+]1C ZINC000648809145 651805387 /nfs/dbraw/zinc/80/53/87/651805387.db2.gz XCMAVCPNFQQLNC-BXUZGUMPSA-N 1 2 380.495 2.223 20 0 GEADLO C[C@@H]1[C@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC[N@H+]1C ZINC000648809145 651805390 /nfs/dbraw/zinc/80/53/90/651805390.db2.gz XCMAVCPNFQQLNC-BXUZGUMPSA-N 1 2 380.495 2.223 20 0 GEADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1sccc1Br ZINC000571166986 651815024 /nfs/dbraw/zinc/81/50/24/651815024.db2.gz IBYRPHITNQBITH-UHFFFAOYSA-N 1 2 389.315 2.122 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(SCC(F)(F)F)c3)C[C@@H]21 ZINC000571305565 651824728 /nfs/dbraw/zinc/82/47/28/651824728.db2.gz VRCDQGSMPDGZBG-QWHCGFSZSA-N 1 2 375.416 2.281 20 0 GEADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(SCC(F)(F)F)c3)C[C@@H]21 ZINC000571305565 651824732 /nfs/dbraw/zinc/82/47/32/651824732.db2.gz VRCDQGSMPDGZBG-QWHCGFSZSA-N 1 2 375.416 2.281 20 0 GEADLO O=S(=O)(NC1CC1)c1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000649570236 651830540 /nfs/dbraw/zinc/83/05/40/651830540.db2.gz SWJNVBYQZJDXBM-UHFFFAOYSA-N 1 2 378.416 2.017 20 0 GEADLO O=S(=O)(c1ccc(Br)cc1Cl)N1CC[NH2+]C[C@@H]1C(F)F ZINC000571445909 651832883 /nfs/dbraw/zinc/83/28/83/651832883.db2.gz XOVXMOVDYORQAQ-SECBINFHSA-N 1 2 389.649 2.330 20 0 GEADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000615128022 651851405 /nfs/dbraw/zinc/85/14/05/651851405.db2.gz LSEINEATBAEICM-DOMZBBRYSA-N 1 2 391.269 2.283 20 0 GEADLO O=C(COc1cccc(Br)c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615558037 651867776 /nfs/dbraw/zinc/86/77/76/651867776.db2.gz ZNNLGBBTTSQZQU-HNNXBMFYSA-N 1 2 383.286 2.151 20 0 GEADLO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c(Br)c1 ZINC000615553676 651867785 /nfs/dbraw/zinc/86/77/85/651867785.db2.gz SBWMQLSALYMNIX-CYBMUJFWSA-N 1 2 383.286 2.395 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651108502 651872617 /nfs/dbraw/zinc/87/26/17/651872617.db2.gz OYZMPGVPSJQKNV-GXTWGEPZSA-N 1 2 383.286 2.152 20 0 GEADLO O=C1C(=O)N(CN2CCC[C@@H](n3cc[nH+]c3)C2)c2ccc(Br)cc21 ZINC000738157069 651882939 /nfs/dbraw/zinc/88/29/39/651882939.db2.gz GHAHXHKWMULJBT-CYBMUJFWSA-N 1 2 389.253 2.470 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H](CO)c1cccc(Br)c1 ZINC000651641192 651892500 /nfs/dbraw/zinc/89/25/00/651892500.db2.gz IHWDOXOGRGXSOO-HNNXBMFYSA-N 1 2 378.270 2.374 20 0 GEADLO Cn1c[nH+]cc1CNS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000572564282 651899573 /nfs/dbraw/zinc/89/95/73/651899573.db2.gz BTCYIYMHWLXUSH-UHFFFAOYSA-N 1 2 381.255 2.209 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3CCCS3(=O)=O)n2)C1 ZINC000572574691 651900847 /nfs/dbraw/zinc/90/08/47/651900847.db2.gz ADXYNSLTDNZBHS-JSGCOSHPSA-N 1 2 386.543 2.074 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3CCCS3(=O)=O)n2)C1 ZINC000572574691 651900850 /nfs/dbraw/zinc/90/08/50/651900850.db2.gz ADXYNSLTDNZBHS-JSGCOSHPSA-N 1 2 386.543 2.074 20 0 GEADLO O=C(CS[C@H]1CCS(=O)(=O)C1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000739801347 651907640 /nfs/dbraw/zinc/90/76/40/651907640.db2.gz WEQAUIZORWZBQU-KRWDZBQOSA-N 1 2 382.551 2.036 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000572779548 651911920 /nfs/dbraw/zinc/91/19/20/651911920.db2.gz OLESYSRPEFZVAJ-ABAIWWIYSA-N 1 2 391.269 2.051 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000572779548 651911927 /nfs/dbraw/zinc/91/19/27/651911927.db2.gz OLESYSRPEFZVAJ-ABAIWWIYSA-N 1 2 391.269 2.051 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2cnc(C)c(Cl)c2Cl)CC1 ZINC000652999005 651931414 /nfs/dbraw/zinc/93/14/14/651931414.db2.gz HPPVVWFNYVWJAX-UHFFFAOYSA-N 1 2 376.284 2.118 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000653002257 651931737 /nfs/dbraw/zinc/93/17/37/651931737.db2.gz WDBRTDHQAUHDDC-UHFFFAOYSA-N 1 2 375.296 2.343 20 0 GEADLO COc1cccnc1C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000573438704 651955650 /nfs/dbraw/zinc/95/56/50/651955650.db2.gz JVVQKPQNLRCAIL-UHFFFAOYSA-N 1 2 385.283 2.416 20 0 GEADLO CO[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccccc1Br ZINC000617721333 651966474 /nfs/dbraw/zinc/96/64/74/651966474.db2.gz NXUSCMPSEZGYLP-ZENOOKHLSA-N 1 2 385.302 2.362 20 0 GEADLO CO[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccccc1Br ZINC000617721333 651966479 /nfs/dbraw/zinc/96/64/79/651966479.db2.gz NXUSCMPSEZGYLP-ZENOOKHLSA-N 1 2 385.302 2.362 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617724055 651967354 /nfs/dbraw/zinc/96/73/54/651967354.db2.gz VCMZXYFCJRMXSH-RYUDHWBXSA-N 1 2 395.301 2.244 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617724055 651967358 /nfs/dbraw/zinc/96/73/58/651967358.db2.gz VCMZXYFCJRMXSH-RYUDHWBXSA-N 1 2 395.301 2.244 20 0 GEADLO CC1CC[NH+]([C@H](CNC(=O)C[C@@H]2SC(=N)NC2=O)c2cccs2)CC1 ZINC000742482192 651989851 /nfs/dbraw/zinc/98/98/51/651989851.db2.gz CXJZQBWSKAZQGP-OCCSQVGLSA-N 1 2 380.539 2.194 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573932726 651990024 /nfs/dbraw/zinc/99/00/24/651990024.db2.gz NLWRYNLZVWZYNQ-LLVKDONJSA-N 1 2 379.258 2.414 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573932726 651990032 /nfs/dbraw/zinc/99/00/32/651990032.db2.gz NLWRYNLZVWZYNQ-LLVKDONJSA-N 1 2 379.258 2.414 20 0 GEADLO COC(=O)[C@@H](NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000574048894 651997729 /nfs/dbraw/zinc/99/77/29/651997729.db2.gz VJOHRCKNMCXQQS-INIZCTEOSA-N 1 2 391.295 2.102 20 0 GEADLO COC(=O)[C@@H](NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000574048894 651997740 /nfs/dbraw/zinc/99/77/40/651997740.db2.gz VJOHRCKNMCXQQS-INIZCTEOSA-N 1 2 391.295 2.102 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NCC1(S(C)(=O)=O)CCCCC1)c1cccs1 ZINC000656550755 652038119 /nfs/dbraw/zinc/03/81/19/652038119.db2.gz ZEAJFFSSEGZHCY-AWEZNQCLSA-N 1 2 387.571 2.398 20 0 GEADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CS(=O)(=O)NC(C)(C)C)n2)C1 ZINC000619155638 652046051 /nfs/dbraw/zinc/04/60/51/652046051.db2.gz JDFQTTKMJDKDKJ-LBPRGKRZSA-N 1 2 388.559 2.031 20 0 GEADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CS(=O)(=O)NC(C)(C)C)n2)C1 ZINC000619155638 652046059 /nfs/dbraw/zinc/04/60/59/652046059.db2.gz JDFQTTKMJDKDKJ-LBPRGKRZSA-N 1 2 388.559 2.031 20 0 GEADLO Cc1cccc(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1Br ZINC000575100313 652061824 /nfs/dbraw/zinc/06/18/24/652061824.db2.gz GDRYHSZQNIUIBU-GASCZTMLSA-N 1 2 382.302 2.420 20 0 GEADLO Cc1cccc(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1Br ZINC000575100313 652061833 /nfs/dbraw/zinc/06/18/33/652061833.db2.gz GDRYHSZQNIUIBU-GASCZTMLSA-N 1 2 382.302 2.420 20 0 GEADLO COCc1cc(Cl)cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000575123578 652063502 /nfs/dbraw/zinc/06/35/02/652063502.db2.gz NUVXOKKFXYNTEW-QGZVFWFLSA-N 1 2 381.885 2.217 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)C[C@H]1C ZINC000656944031 652071125 /nfs/dbraw/zinc/07/11/25/652071125.db2.gz QKZQKEGSCKCGAT-LLVKDONJSA-N 1 2 379.295 2.444 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)C[C@H]1C ZINC000656944031 652071128 /nfs/dbraw/zinc/07/11/28/652071128.db2.gz QKZQKEGSCKCGAT-LLVKDONJSA-N 1 2 379.295 2.444 20 0 GEADLO O=C(C[N@@H+]1CCOCC2(CC2)C1)Nc1cccc(I)c1 ZINC000575829451 652080152 /nfs/dbraw/zinc/08/01/52/652080152.db2.gz ZUKOIWZIOGLDBD-UHFFFAOYSA-N 1 2 386.233 2.342 20 0 GEADLO O=C(C[N@H+]1CCOCC2(CC2)C1)Nc1cccc(I)c1 ZINC000575829451 652080159 /nfs/dbraw/zinc/08/01/59/652080159.db2.gz ZUKOIWZIOGLDBD-UHFFFAOYSA-N 1 2 386.233 2.342 20 0 GEADLO Cc1sc2nc([C@@H](C)N3CC[NH+](CC[S@@](C)=O)CC3)[nH]c(=O)c2c1C ZINC000746467589 652108992 /nfs/dbraw/zinc/10/89/92/652108992.db2.gz LPJMPBYBIISXCN-XELLLNAOSA-N 1 2 382.555 2.071 20 0 GEADLO COC(=O)c1ccc(Br)c(S(=O)(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000746600249 652115866 /nfs/dbraw/zinc/11/58/66/652115866.db2.gz MNHINMIOCRBZBX-UHFFFAOYSA-N 1 2 399.266 2.470 20 0 GEADLO O=S(=O)(c1nc2ccccc2s1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000576597506 652131265 /nfs/dbraw/zinc/13/12/65/652131265.db2.gz UTCVUODSSFWBGY-CQSZACIVSA-N 1 2 381.523 2.172 20 0 GEADLO Nc1nn2c(nc(C[N@H+](Cc3ccc(Cl)c(Cl)c3)C3CC3)cc2=O)[nH]1 ZINC000621248609 652137140 /nfs/dbraw/zinc/13/71/40/652137140.db2.gz QYLBGLTVDIVHGV-UHFFFAOYSA-N 1 2 379.251 2.302 20 0 GEADLO Nc1nn2c(nc(C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C3CC3)cc2=O)[nH]1 ZINC000621248609 652137145 /nfs/dbraw/zinc/13/71/45/652137145.db2.gz QYLBGLTVDIVHGV-UHFFFAOYSA-N 1 2 379.251 2.302 20 0 GEADLO CC1(C)C[NH+](CC(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000576715466 652139376 /nfs/dbraw/zinc/13/93/76/652139376.db2.gz JLCCDSNMAHSQLL-UHFFFAOYSA-N 1 2 379.258 2.457 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000747281282 652154854 /nfs/dbraw/zinc/15/48/54/652154854.db2.gz AJMRYQGICPXOJX-WEKMIXOTSA-N 1 2 386.901 2.210 20 0 GEADLO O=C(NCc1cc(Br)cc2c1OCC2)N1CCn2c[nH+]cc2C1 ZINC000577034471 652164359 /nfs/dbraw/zinc/16/43/59/652164359.db2.gz WWQVKJBUADYGMN-UHFFFAOYSA-N 1 2 377.242 2.306 20 0 GEADLO Cc1cc(Br)cn2cc(CC[NH2+]Cc3nnn(C(C)(C)C)n3)nc12 ZINC000657434288 652164875 /nfs/dbraw/zinc/16/48/75/652164875.db2.gz CCUDJHXPXFOTEL-UHFFFAOYSA-N 1 2 392.305 2.479 20 0 GEADLO COc1ccccc1CCNC(=O)C[NH2+]Cc1c(F)cncc1Br ZINC000657454173 652165096 /nfs/dbraw/zinc/16/50/96/652165096.db2.gz FDDNBKDCPSIION-UHFFFAOYSA-N 1 2 396.260 2.440 20 0 GEADLO CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000657603449 652179027 /nfs/dbraw/zinc/17/90/27/652179027.db2.gz MQOQPDAWZQMIPJ-UKRRQHHQSA-N 1 2 392.315 2.140 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc2c(cc1Br)OCO2 ZINC000622124531 652184912 /nfs/dbraw/zinc/18/49/12/652184912.db2.gz MCBNNZIVUHUQJE-UHFFFAOYSA-N 1 2 385.258 2.018 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000748405165 652202176 /nfs/dbraw/zinc/20/21/76/652202176.db2.gz GRYKPLNOOXLKRN-UHFFFAOYSA-N 1 2 375.479 2.276 20 0 GEADLO CCOc1c(Br)cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1OC ZINC000623281340 652231023 /nfs/dbraw/zinc/23/10/23/652231023.db2.gz SLRRIWOOIYBYKK-LLVKDONJSA-N 1 2 380.242 2.408 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000577963777 652232969 /nfs/dbraw/zinc/23/29/69/652232969.db2.gz NRKBGJUEAQOGKM-UHFFFAOYSA-N 1 2 392.250 2.162 20 0 GEADLO COc1ncc(Br)cc1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000623486746 652240805 /nfs/dbraw/zinc/24/08/05/652240805.db2.gz GFHNPMRUHGCLRF-UHFFFAOYSA-N 1 2 382.262 2.329 20 0 GEADLO C[N@H+](CC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000578365862 652266165 /nfs/dbraw/zinc/26/61/65/652266165.db2.gz FQZQMFKUXPMALD-AWEZNQCLSA-N 1 2 390.958 2.057 20 0 GEADLO C[N@@H+](CC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000578365862 652266168 /nfs/dbraw/zinc/26/61/68/652266168.db2.gz FQZQMFKUXPMALD-AWEZNQCLSA-N 1 2 390.958 2.057 20 0 GEADLO C[N@H+](Cc1nc2ccc(Br)cc2o1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000579070285 652314863 /nfs/dbraw/zinc/31/48/63/652314863.db2.gz YGMQETXZYRJZFN-NSHDSACASA-N 1 2 388.287 2.056 20 0 GEADLO C[N@@H+](Cc1nc2ccc(Br)cc2o1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000579070285 652314868 /nfs/dbraw/zinc/31/48/68/652314868.db2.gz YGMQETXZYRJZFN-NSHDSACASA-N 1 2 388.287 2.056 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCC[C@]2(CCSC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000579196547 652323557 /nfs/dbraw/zinc/32/35/57/652323557.db2.gz MAIRRRJQGJRBQY-BQFCYCMXSA-N 1 2 388.599 2.020 20 0 GEADLO CCCN(C(=O)[C@H](C)[N@H+]1CCC[C@]2(CCSC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000579196547 652323566 /nfs/dbraw/zinc/32/35/66/652323566.db2.gz MAIRRRJQGJRBQY-BQFCYCMXSA-N 1 2 388.599 2.020 20 0 GEADLO CN(CC(C)(C)[NH3+])C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000658998273 652336720 /nfs/dbraw/zinc/33/67/20/652336720.db2.gz PCIKKKYFHQNKRT-UHFFFAOYSA-N 1 2 383.499 2.145 20 0 GEADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)CC1 ZINC000751463488 652353466 /nfs/dbraw/zinc/35/34/66/652353466.db2.gz NUNWBQBYJDCYQD-LLVKDONJSA-N 1 2 389.930 2.027 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)Cc1ccccc1Br)C2 ZINC000579984172 652362574 /nfs/dbraw/zinc/36/25/74/652362574.db2.gz UGLARCMHYJPRIY-CQSZACIVSA-N 1 2 392.297 2.163 20 0 GEADLO CCOCC[N@@H+]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000579998207 652362861 /nfs/dbraw/zinc/36/28/61/652362861.db2.gz RLWSMHGPSHWSMT-AWEZNQCLSA-N 1 2 390.933 2.221 20 0 GEADLO CCOCC[N@H+]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000579998207 652362864 /nfs/dbraw/zinc/36/28/64/652362864.db2.gz RLWSMHGPSHWSMT-AWEZNQCLSA-N 1 2 390.933 2.221 20 0 GEADLO COc1ccc(C[N@H+](CCO[C@H]2CC2(F)F)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000659818984 652366824 /nfs/dbraw/zinc/36/68/24/652366824.db2.gz AZMOHUQFUZJXAL-HOCLYGCPSA-N 1 2 375.437 2.109 20 0 GEADLO COc1ccc(C[N@@H+](CCO[C@H]2CC2(F)F)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000659818984 652366825 /nfs/dbraw/zinc/36/68/25/652366825.db2.gz AZMOHUQFUZJXAL-HOCLYGCPSA-N 1 2 375.437 2.109 20 0 GEADLO O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000659827983 652367251 /nfs/dbraw/zinc/36/72/51/652367251.db2.gz ZXYNXAYHZIVOCX-IMJJTQAJSA-N 1 2 393.329 2.413 20 0 GEADLO CN(C)c1nc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)ns1 ZINC000625797607 652371866 /nfs/dbraw/zinc/37/18/66/652371866.db2.gz WJZCEEJFBMPYSE-INIZCTEOSA-N 1 2 397.342 2.376 20 0 GEADLO CN(C)c1nc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)ns1 ZINC000625797608 652371906 /nfs/dbraw/zinc/37/19/06/652371906.db2.gz WJZCEEJFBMPYSE-MRXNPFEDSA-N 1 2 397.342 2.376 20 0 GEADLO O=C(CCNS(=O)(=O)c1ccccc1Cl)Nc1c[nH+]c2n1CCCC2 ZINC000580284345 652374029 /nfs/dbraw/zinc/37/40/29/652374029.db2.gz ZQPAXWWZYUJIGB-UHFFFAOYSA-N 1 2 382.873 2.180 20 0 GEADLO COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000752030035 652377556 /nfs/dbraw/zinc/37/75/56/652377556.db2.gz XAEWUTBJAKZSRO-UHFFFAOYSA-N 1 2 383.695 2.095 20 0 GEADLO CCN1OC[C@@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1=O ZINC000660049788 652378689 /nfs/dbraw/zinc/37/86/89/652378689.db2.gz YKHMYOLYMXMLCC-OAHLLOKOSA-N 1 2 396.285 2.262 20 0 GEADLO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626005176 652379095 /nfs/dbraw/zinc/37/90/95/652379095.db2.gz XJWZVOOYTGDPRQ-ZIAGYGMSSA-N 1 2 380.229 2.388 20 0 GEADLO O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCO[C@H](CCF)C1 ZINC000626005176 652379098 /nfs/dbraw/zinc/37/90/98/652379098.db2.gz XJWZVOOYTGDPRQ-ZIAGYGMSSA-N 1 2 380.229 2.388 20 0 GEADLO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626005175 652379152 /nfs/dbraw/zinc/37/91/52/652379152.db2.gz XJWZVOOYTGDPRQ-UONOGXRCSA-N 1 2 380.229 2.388 20 0 GEADLO O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCO[C@H](CCF)C1 ZINC000626005175 652379155 /nfs/dbraw/zinc/37/91/55/652379155.db2.gz XJWZVOOYTGDPRQ-UONOGXRCSA-N 1 2 380.229 2.388 20 0 GEADLO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626005173 652379228 /nfs/dbraw/zinc/37/92/28/652379228.db2.gz XJWZVOOYTGDPRQ-KBPBESRZSA-N 1 2 380.229 2.388 20 0 GEADLO O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000626005173 652379230 /nfs/dbraw/zinc/37/92/30/652379230.db2.gz XJWZVOOYTGDPRQ-KBPBESRZSA-N 1 2 380.229 2.388 20 0 GEADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626035530 652380509 /nfs/dbraw/zinc/38/05/09/652380509.db2.gz RUQNUADIVGJQFU-NSHDSACASA-N 1 2 384.889 2.314 20 0 GEADLO Cn1c[nH+]c(CCN2C(=O)[C@H](c3cccc(Br)c3)N(C)C2=O)c1 ZINC000580541612 652382504 /nfs/dbraw/zinc/38/25/04/652382504.db2.gz OYSOMERDQPUUDH-AWEZNQCLSA-N 1 2 377.242 2.360 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000626168839 652383442 /nfs/dbraw/zinc/38/34/42/652383442.db2.gz AKFHTRGNCUCIGL-UONOGXRCSA-N 1 2 387.933 2.237 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000626168839 652383447 /nfs/dbraw/zinc/38/34/47/652383447.db2.gz AKFHTRGNCUCIGL-UONOGXRCSA-N 1 2 387.933 2.237 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000626171210 652383751 /nfs/dbraw/zinc/38/37/51/652383751.db2.gz WRMRCAGEKRPLER-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000626171210 652383753 /nfs/dbraw/zinc/38/37/53/652383753.db2.gz WRMRCAGEKRPLER-GFCCVEGCSA-N 1 2 384.889 2.151 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccccc1Br ZINC000626183758 652384671 /nfs/dbraw/zinc/38/46/71/652384671.db2.gz SIQDCNQFRRJWEE-KRWDZBQOSA-N 1 2 398.301 2.186 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccccc1Br ZINC000626183758 652384674 /nfs/dbraw/zinc/38/46/74/652384674.db2.gz SIQDCNQFRRJWEE-KRWDZBQOSA-N 1 2 398.301 2.186 20 0 GEADLO C[C@@H]([NH2+]CC(=O)Nc1cnccn1)c1cc2c(cc1Br)OCCO2 ZINC000660186509 652394167 /nfs/dbraw/zinc/39/41/67/652394167.db2.gz BLXHUGSFRBCKSV-SNVBAGLBSA-N 1 2 393.241 2.300 20 0 GEADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000580891982 652395395 /nfs/dbraw/zinc/39/53/95/652395395.db2.gz WOPVTNPOQOQLLV-SECBINFHSA-N 1 2 379.766 2.340 20 0 GEADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000580891982 652395399 /nfs/dbraw/zinc/39/53/99/652395399.db2.gz WOPVTNPOQOQLLV-SECBINFHSA-N 1 2 379.766 2.340 20 0 GEADLO O=C(CC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1)Nc1ccccc1Br ZINC000580938587 652397325 /nfs/dbraw/zinc/39/73/25/652397325.db2.gz QQVLMGHWXWRNAQ-HNNXBMFYSA-N 1 2 381.270 2.458 20 0 GEADLO O=C(CC[N@H+]1CCO[C@H](C(=O)C2CC2)C1)Nc1ccccc1Br ZINC000580938587 652397330 /nfs/dbraw/zinc/39/73/30/652397330.db2.gz QQVLMGHWXWRNAQ-HNNXBMFYSA-N 1 2 381.270 2.458 20 0 GEADLO O=C(NC[C@H](CO)Cc1cccc(Br)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000580958122 652398278 /nfs/dbraw/zinc/39/82/78/652398278.db2.gz WJMGEFPPQZCWMH-HUUCEWRRSA-N 1 2 392.297 2.175 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660429345 652402096 /nfs/dbraw/zinc/40/20/96/652402096.db2.gz RHXFSBVWPRRAFZ-YOEHRIQHSA-N 1 2 396.329 2.496 20 0 GEADLO NS(=O)(=O)c1cc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)co1 ZINC000660539775 652406381 /nfs/dbraw/zinc/40/63/81/652406381.db2.gz NWPHWVPLAXUKGQ-CYBMUJFWSA-N 1 2 379.265 2.447 20 0 GEADLO NS(=O)(=O)c1cc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)co1 ZINC000660539776 652406400 /nfs/dbraw/zinc/40/64/00/652406400.db2.gz NWPHWVPLAXUKGQ-ZDUSSCGKSA-N 1 2 379.265 2.447 20 0 GEADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@H](C)[C@H]1O ZINC000661631906 652436025 /nfs/dbraw/zinc/43/60/25/652436025.db2.gz RNQWYXGQNSLXNE-JYAVWHMHSA-N 1 2 376.316 2.172 20 0 GEADLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@H](C)[C@H]1O ZINC000661631906 652436026 /nfs/dbraw/zinc/43/60/26/652436026.db2.gz RNQWYXGQNSLXNE-JYAVWHMHSA-N 1 2 376.316 2.172 20 0 GEADLO CCS(=O)(=O)CCCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000582228423 652441348 /nfs/dbraw/zinc/44/13/48/652441348.db2.gz OCXDTWSZAFKFPK-OAHLLOKOSA-N 1 2 375.922 2.067 20 0 GEADLO Cn1c[nH+]cc1COC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000754685337 652442566 /nfs/dbraw/zinc/44/25/66/652442566.db2.gz CPWNFRKJEGXOLG-UHFFFAOYSA-N 1 2 384.205 2.185 20 0 GEADLO Cc1cc(NC(=O)C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)ccc1Br ZINC000662015220 652444878 /nfs/dbraw/zinc/44/48/78/652444878.db2.gz SZDGFMAGGTYLFR-AWEZNQCLSA-N 1 2 397.317 2.384 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)ccc1Br ZINC000662015220 652444881 /nfs/dbraw/zinc/44/48/81/652444881.db2.gz SZDGFMAGGTYLFR-AWEZNQCLSA-N 1 2 397.317 2.384 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000662018506 652445470 /nfs/dbraw/zinc/44/54/70/652445470.db2.gz ZHPAKAXWJJOYRD-CYBMUJFWSA-N 1 2 398.301 2.408 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000662018506 652445473 /nfs/dbraw/zinc/44/54/73/652445473.db2.gz ZHPAKAXWJJOYRD-CYBMUJFWSA-N 1 2 398.301 2.408 20 0 GEADLO Cc1cc(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)ncc1Br ZINC000628188047 652454449 /nfs/dbraw/zinc/45/44/49/652454449.db2.gz LPRRLINAUKCCBZ-HNNXBMFYSA-N 1 2 395.345 2.281 20 0 GEADLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(I)c1O ZINC000755389473 652463955 /nfs/dbraw/zinc/46/39/55/652463955.db2.gz QRTZMYWEPXXAEI-ZDUSSCGKSA-N 1 2 388.249 2.409 20 0 GEADLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(I)c1O ZINC000755389473 652463960 /nfs/dbraw/zinc/46/39/60/652463960.db2.gz QRTZMYWEPXXAEI-ZDUSSCGKSA-N 1 2 388.249 2.409 20 0 GEADLO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2Cl)C[C@H]1CC ZINC000582926646 652467476 /nfs/dbraw/zinc/46/74/76/652467476.db2.gz FEKHMBIPHPVMMX-CQSZACIVSA-N 1 2 390.933 2.470 20 0 GEADLO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)cc2Cl)C[C@H]1CC ZINC000582926646 652467478 /nfs/dbraw/zinc/46/74/78/652467478.db2.gz FEKHMBIPHPVMMX-CQSZACIVSA-N 1 2 390.933 2.470 20 0 GEADLO Cc1cc(C)c(NC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c(C)[nH+]1 ZINC000583127190 652473457 /nfs/dbraw/zinc/47/34/57/652473457.db2.gz OZKXILWPJRPHQX-ZDUSSCGKSA-N 1 2 383.495 2.025 20 0 GEADLO COCCN1C(=O)C[C@H]([N@@H+]2CC[C@H](c3cccc(Br)c3)C2)C1=O ZINC000583243833 652478477 /nfs/dbraw/zinc/47/84/77/652478477.db2.gz UWUVEFHOICZDGS-ZFWWWQNUSA-N 1 2 381.270 2.012 20 0 GEADLO COCCN1C(=O)C[C@H]([N@H+]2CC[C@H](c3cccc(Br)c3)C2)C1=O ZINC000583243833 652478482 /nfs/dbraw/zinc/47/84/82/652478482.db2.gz UWUVEFHOICZDGS-ZFWWWQNUSA-N 1 2 381.270 2.012 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755951016 652481861 /nfs/dbraw/zinc/48/18/61/652481861.db2.gz ZIRMBQXTKYFNSV-FNODVLLQSA-N 1 2 392.352 2.317 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000583382734 652482844 /nfs/dbraw/zinc/48/28/44/652482844.db2.gz KWKRYXLEHFDUDB-DYVFJYSZSA-N 1 2 380.330 2.231 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000583685358 652494097 /nfs/dbraw/zinc/49/40/97/652494097.db2.gz WQPJEGUWUJSVIA-BBRMVZONSA-N 1 2 387.933 2.067 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000663638387 652507368 /nfs/dbraw/zinc/50/73/68/652507368.db2.gz NKQYCOFQLBHMHT-SWLSCSKDSA-N 1 2 390.311 2.389 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2csc(Br)c2)[C@@H](C)CO1 ZINC000663705655 652509776 /nfs/dbraw/zinc/50/97/76/652509776.db2.gz UEHUXFLIIJJLQB-WDEREUQCSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2csc(Br)c2)[C@@H](C)CO1 ZINC000663705655 652509778 /nfs/dbraw/zinc/50/97/78/652509778.db2.gz UEHUXFLIIJJLQB-WDEREUQCSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000584122261 652510388 /nfs/dbraw/zinc/51/03/88/652510388.db2.gz MHLSGKBDYRXIDD-TZMCWYRMSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000584122261 652510393 /nfs/dbraw/zinc/51/03/93/652510393.db2.gz MHLSGKBDYRXIDD-TZMCWYRMSA-N 1 2 380.286 2.318 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2sccc2Br)[C@@H](C)CO1 ZINC000663869246 652513992 /nfs/dbraw/zinc/51/39/92/652513992.db2.gz ZRMYZNMXRDFKBX-WDEREUQCSA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2sccc2Br)[C@@H](C)CO1 ZINC000663869246 652513995 /nfs/dbraw/zinc/51/39/95/652513995.db2.gz ZRMYZNMXRDFKBX-WDEREUQCSA-N 1 2 376.320 2.419 20 0 GEADLO O=C(NCCNc1cc(NCC2CC2)[nH+]cn1)c1ccc(Br)cn1 ZINC000664177139 652522266 /nfs/dbraw/zinc/52/22/66/652522266.db2.gz XOOLABDYANMRMG-UHFFFAOYSA-N 1 2 391.273 2.298 20 0 GEADLO O=C(NCCNc1cc(NCC2CC2)nc[nH+]1)c1ccc(Br)cn1 ZINC000664177139 652522270 /nfs/dbraw/zinc/52/22/70/652522270.db2.gz XOOLABDYANMRMG-UHFFFAOYSA-N 1 2 391.273 2.298 20 0 GEADLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(Br)cn1 ZINC000664791328 652539207 /nfs/dbraw/zinc/53/92/07/652539207.db2.gz GGYVPTNDKJHAJT-JHJVBQTASA-N 1 2 385.306 2.314 20 0 GEADLO C[C@@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(Br)cn1 ZINC000664791328 652539209 /nfs/dbraw/zinc/53/92/09/652539209.db2.gz GGYVPTNDKJHAJT-JHJVBQTASA-N 1 2 385.306 2.314 20 0 GEADLO CC1(C)C[N@H+](CCNC(=O)NCCSCc2ccnc(Cl)c2)CCO1 ZINC000758443880 652542122 /nfs/dbraw/zinc/54/21/22/652542122.db2.gz YLQXLPMQVZDLAN-UHFFFAOYSA-N 1 2 386.949 2.378 20 0 GEADLO CC1(C)C[N@@H+](CCNC(=O)NCCSCc2ccnc(Cl)c2)CCO1 ZINC000758443880 652542125 /nfs/dbraw/zinc/54/21/25/652542125.db2.gz YLQXLPMQVZDLAN-UHFFFAOYSA-N 1 2 386.949 2.378 20 0 GEADLO CN1CC[NH+](C[C@@H](O)COc2cc(F)c(Cl)cc2Br)CC1 ZINC000666145232 652567391 /nfs/dbraw/zinc/56/73/91/652567391.db2.gz HIBCXISUHKSQHT-SNVBAGLBSA-N 1 2 381.673 2.229 20 0 GEADLO CC(C)[N@@H+](C/C(Cl)=C\Cl)C[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000759279429 652567906 /nfs/dbraw/zinc/56/79/06/652567906.db2.gz SFAWSLYQGUHWHM-UJMHRVFCSA-N 1 2 375.296 2.484 20 0 GEADLO CC(C)[N@H+](C/C(Cl)=C\Cl)C[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000759279429 652567908 /nfs/dbraw/zinc/56/79/08/652567908.db2.gz SFAWSLYQGUHWHM-UJMHRVFCSA-N 1 2 375.296 2.484 20 0 GEADLO O=S(=O)(C[C@@H]1CCC(F)(F)C1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680415 652574618 /nfs/dbraw/zinc/57/46/18/652574618.db2.gz LRGLLSUDMMEERV-CQSZACIVSA-N 1 2 391.509 2.490 20 0 GEADLO C[C@@]1(c2ccccc2Br)NC(=O)N(C[NH+]2CCC(C)(O)CC2)C1=O ZINC000759751992 652585257 /nfs/dbraw/zinc/58/52/57/652585257.db2.gz OPYSVOFREHOFDT-KRWDZBQOSA-N 1 2 396.285 2.020 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000592203512 652591517 /nfs/dbraw/zinc/59/15/17/652591517.db2.gz QWYYOVSADPRVLU-SWLSCSKDSA-N 1 2 395.253 2.460 20 0 GEADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000592203512 652591519 /nfs/dbraw/zinc/59/15/19/652591519.db2.gz QWYYOVSADPRVLU-SWLSCSKDSA-N 1 2 395.253 2.460 20 0 GEADLO O=C(C[NH+]1CCC2(CC1)C(F)(F)C2(F)F)NC(=O)NCc1cccs1 ZINC000593054121 652613084 /nfs/dbraw/zinc/61/30/84/652613084.db2.gz GDRZSMMQCQUPHY-UHFFFAOYSA-N 1 2 379.379 2.440 20 0 GEADLO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593293463 652615916 /nfs/dbraw/zinc/61/59/16/652615916.db2.gz AORBAAHZXFTLPZ-SOBXHUBBSA-N 1 2 381.929 2.392 20 0 GEADLO Cc1c(Br)cncc1CN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000667687984 652617841 /nfs/dbraw/zinc/61/78/41/652617841.db2.gz CAMQKSSUPCGBPZ-HNNXBMFYSA-N 1 2 395.345 2.281 20 0 GEADLO O=C(CCn1cc(Br)cn1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633895472 652619223 /nfs/dbraw/zinc/61/92/23/652619223.db2.gz SGDKGFRLKZRCKO-UHFFFAOYSA-N 1 2 393.285 2.086 20 0 GEADLO OCC1(C[NH2+]Cc2cc(Br)c(O)c(Br)c2)COC1 ZINC000667912307 652622071 /nfs/dbraw/zinc/62/20/71/652622071.db2.gz DFMQKFVPJFIFOI-UHFFFAOYSA-N 1 2 381.064 2.016 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)Cc1c(Cl)cccc1Br ZINC000667999791 652624303 /nfs/dbraw/zinc/62/43/03/652624303.db2.gz OUXTYSXXZWLSJJ-UHFFFAOYSA-N 1 2 375.694 2.436 20 0 GEADLO Cc1c(Br)cncc1C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000668139500 652630299 /nfs/dbraw/zinc/63/02/99/652630299.db2.gz BHSXSDVEEQHEEJ-CYBMUJFWSA-N 1 2 390.347 2.256 20 0 GEADLO Cc1c(Br)cncc1C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000668139500 652630302 /nfs/dbraw/zinc/63/03/02/652630302.db2.gz BHSXSDVEEQHEEJ-CYBMUJFWSA-N 1 2 390.347 2.256 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccccc2I)C1 ZINC000761229034 652637623 /nfs/dbraw/zinc/63/76/23/652637623.db2.gz REQVDOCEFVQCSU-ZDUSSCGKSA-N 1 2 385.249 2.327 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccccc2I)C1 ZINC000761229034 652637624 /nfs/dbraw/zinc/63/76/24/652637624.db2.gz REQVDOCEFVQCSU-ZDUSSCGKSA-N 1 2 385.249 2.327 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000668332251 652638954 /nfs/dbraw/zinc/63/89/54/652638954.db2.gz HPKFPLYMQMDGQW-HNNXBMFYSA-N 1 2 391.269 2.126 20 0 GEADLO O=S(=O)(N[C@@H]1CCn2c[nH+]cc2C1)c1cccc(OC(F)(F)F)c1F ZINC000634661175 652651708 /nfs/dbraw/zinc/65/17/08/652651708.db2.gz LBMYQBYYHSVFNF-SECBINFHSA-N 1 2 379.335 2.214 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@@H](C)c3cccc(Br)c3)C[C@H]21 ZINC000668633477 652655367 /nfs/dbraw/zinc/65/53/67/652655367.db2.gz NMLCLXHNEXGNBZ-CAPXZKIUSA-N 1 2 388.327 2.296 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@@H](C)c3cccc(Br)c3)C[C@H]21 ZINC000668633477 652655377 /nfs/dbraw/zinc/65/53/77/652655377.db2.gz NMLCLXHNEXGNBZ-CAPXZKIUSA-N 1 2 388.327 2.296 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1O ZINC000668688718 652660098 /nfs/dbraw/zinc/66/00/98/652660098.db2.gz PJJHXJARTUVTSV-GFCCVEGCSA-N 1 2 386.290 2.351 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1O ZINC000668688718 652660104 /nfs/dbraw/zinc/66/01/04/652660104.db2.gz PJJHXJARTUVTSV-GFCCVEGCSA-N 1 2 386.290 2.351 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCCCn2cc[nH+]c2)c1F ZINC000594470857 652663071 /nfs/dbraw/zinc/66/30/71/652663071.db2.gz SYJVOANJPXHXGR-UHFFFAOYSA-N 1 2 389.836 2.221 20 0 GEADLO CS(=O)(=O)Nc1ccccc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635198226 652700378 /nfs/dbraw/zinc/70/03/78/652700378.db2.gz GVZIOLITXLCODB-LBPRGKRZSA-N 1 2 376.360 2.387 20 0 GEADLO CCCCN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000635405814 652725068 /nfs/dbraw/zinc/72/50/68/652725068.db2.gz HNHDMTKMHLXQLC-QWHCGFSZSA-N 1 2 381.420 2.192 20 0 GEADLO CCN(CC)C(=O)[C@@H]1CSCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635459661 652730578 /nfs/dbraw/zinc/73/05/78/652730578.db2.gz PLYHHFJQMOJLJB-NWDGAFQWSA-N 1 2 378.420 2.147 20 0 GEADLO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl)C(=O)OC ZINC000595831240 652737308 /nfs/dbraw/zinc/73/73/08/652737308.db2.gz ZIXSLUJAMHIDCE-YNZJMPHRSA-N 1 2 391.295 2.320 20 0 GEADLO COC(=O)CCN1CC[C@H]([N@@H+]2Cc3ccc(C)c(Br)c3C2)C1=O ZINC000595873384 652739965 /nfs/dbraw/zinc/73/99/65/652739965.db2.gz GITTTYAHKXJNTB-AWEZNQCLSA-N 1 2 381.270 2.237 20 0 GEADLO COC(=O)CCN1CC[C@H]([N@H+]2Cc3ccc(C)c(Br)c3C2)C1=O ZINC000595873384 652739972 /nfs/dbraw/zinc/73/99/72/652739972.db2.gz GITTTYAHKXJNTB-AWEZNQCLSA-N 1 2 381.270 2.237 20 0 GEADLO C[N@@H+]1CC[C@@H](CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000635647826 652746073 /nfs/dbraw/zinc/74/60/73/652746073.db2.gz KHNMORJNSNFGOB-LBPRGKRZSA-N 1 2 380.495 2.224 20 0 GEADLO C[N@H+]1CC[C@@H](CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000635647826 652746083 /nfs/dbraw/zinc/74/60/83/652746083.db2.gz KHNMORJNSNFGOB-LBPRGKRZSA-N 1 2 380.495 2.224 20 0 GEADLO O=C(NC[C@@H]1CCCNC1=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000670430403 652747385 /nfs/dbraw/zinc/74/73/85/652747385.db2.gz XEIIMSXEGVZAHY-GOEBONIOSA-N 1 2 394.313 2.228 20 0 GEADLO Cn1cc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc(Br)c1=O ZINC000635667453 652747354 /nfs/dbraw/zinc/74/73/54/652747354.db2.gz BXASJYFEAYLWRK-SNVBAGLBSA-N 1 2 393.163 2.477 20 0 GEADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)Nc1c[nH]cc(Br)c1=O ZINC000635742240 652752527 /nfs/dbraw/zinc/75/25/27/652752527.db2.gz GASSZAXEDPRMJU-VIFPVBQESA-N 1 2 379.136 2.466 20 0 GEADLO CS(=O)(=O)c1ccccc1CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000636043584 652775776 /nfs/dbraw/zinc/77/57/76/652775776.db2.gz UTKNAVCNCMPDOQ-ZDUSSCGKSA-N 1 2 375.372 2.097 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000597999459 652797087 /nfs/dbraw/zinc/79/70/87/652797087.db2.gz XDRKZHVILMLOIF-VXGBXAGGSA-N 1 2 399.285 2.075 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000597999459 652797093 /nfs/dbraw/zinc/79/70/93/652797093.db2.gz XDRKZHVILMLOIF-VXGBXAGGSA-N 1 2 399.285 2.075 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCc2c(Br)cnn2C)cc1 ZINC000636312602 652797282 /nfs/dbraw/zinc/79/72/82/652797282.db2.gz NRXFVXCNDGQULY-OAHLLOKOSA-N 1 2 393.285 2.082 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCc2c(Br)cnn2C)cc1 ZINC000636312602 652797294 /nfs/dbraw/zinc/79/72/94/652797294.db2.gz NRXFVXCNDGQULY-OAHLLOKOSA-N 1 2 393.285 2.082 20 0 GEADLO Cn1ncc(Br)c1CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000636313067 652797340 /nfs/dbraw/zinc/79/73/40/652797340.db2.gz RHTMBKXRDKUVQC-SNVBAGLBSA-N 1 2 380.168 2.189 20 0 GEADLO NS(=O)(=O)c1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cs1 ZINC000636401528 652802211 /nfs/dbraw/zinc/80/22/11/652802211.db2.gz ZXWAMEBQDXJAHI-OAHLLOKOSA-N 1 2 379.507 2.389 20 0 GEADLO NS(=O)(=O)c1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cs1 ZINC000636401528 652802214 /nfs/dbraw/zinc/80/22/14/652802214.db2.gz ZXWAMEBQDXJAHI-OAHLLOKOSA-N 1 2 379.507 2.389 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1Br ZINC000598187262 652803855 /nfs/dbraw/zinc/80/38/55/652803855.db2.gz VTECKDFEDBPPCA-XHDPSFHLSA-N 1 2 392.253 2.239 20 0 GEADLO C[C@@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)Oc1cccc(Br)c1 ZINC000636864328 652827272 /nfs/dbraw/zinc/82/72/72/652827272.db2.gz LWJBWPSRYJCULA-AAEUAGOBSA-N 1 2 379.258 2.337 20 0 GEADLO C[C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)Oc1ccccc1Br ZINC000636891040 652828191 /nfs/dbraw/zinc/82/81/91/652828191.db2.gz YXLBAOUUMMKQPF-NWDGAFQWSA-N 1 2 379.258 2.337 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N(C)C[C@H]3C[C@@H](O)C3)[nH+]c12 ZINC000637041251 652834816 /nfs/dbraw/zinc/83/48/16/652834816.db2.gz AZIPJNYYMROCDX-JNSHFYNHSA-N 1 2 395.301 2.360 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000673572138 652870631 /nfs/dbraw/zinc/87/06/31/652870631.db2.gz VBUIZFAYMPFDHV-WDEREUQCSA-N 1 2 389.905 2.020 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000673572138 652870634 /nfs/dbraw/zinc/87/06/34/652870634.db2.gz VBUIZFAYMPFDHV-WDEREUQCSA-N 1 2 389.905 2.020 20 0 GEADLO O=C(Cn1c(=O)scc1C(F)(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000673643004 652873981 /nfs/dbraw/zinc/87/39/81/652873981.db2.gz LWJFGOVCTMOBLE-UHFFFAOYSA-N 1 2 391.440 2.335 20 0 GEADLO COc1ncc(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)s1 ZINC000637896322 652877241 /nfs/dbraw/zinc/87/72/41/652877241.db2.gz KTXMQJHMTZNBAE-UHFFFAOYSA-N 1 2 385.486 2.234 20 0 GEADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3CSCCS3)CC2)c1 ZINC000766408378 652879143 /nfs/dbraw/zinc/87/91/43/652879143.db2.gz JNRKFYFJNAMMRL-KRWDZBQOSA-N 1 2 382.551 2.067 20 0 GEADLO Cc1nc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cs1 ZINC000638328967 652885793 /nfs/dbraw/zinc/88/57/93/652885793.db2.gz OCNSCOFBXKOKEO-UHFFFAOYSA-N 1 2 376.301 2.151 20 0 GEADLO C[C@H]1CN(c2ccc(NCc3ccc(S(N)(=O)=O)s3)c[nH+]2)C[C@H](C)O1 ZINC000638891242 652910770 /nfs/dbraw/zinc/91/07/70/652910770.db2.gz GEADJTMZLNCFAU-RYUDHWBXSA-N 1 2 382.511 2.016 20 0 GEADLO COCC[N@H+](Cc1scnc1C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639113514 652919508 /nfs/dbraw/zinc/91/95/08/652919508.db2.gz MMUZSGPUUJPQLA-UHFFFAOYSA-N 1 2 389.930 2.401 20 0 GEADLO COCC[N@@H+](Cc1scnc1C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639113514 652919511 /nfs/dbraw/zinc/91/95/11/652919511.db2.gz MMUZSGPUUJPQLA-UHFFFAOYSA-N 1 2 389.930 2.401 20 0 GEADLO CN(Cc1cnn2cc(Br)cnc12)C(C)(C)C[NH+]1CCOCC1 ZINC000639270715 652929411 /nfs/dbraw/zinc/92/94/11/652929411.db2.gz BATBRJAJLBJGJN-UHFFFAOYSA-N 1 2 382.306 2.034 20 0 GEADLO CS(=O)(=O)C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000675503663 652929937 /nfs/dbraw/zinc/92/99/37/652929937.db2.gz LKELOISCEBZLAT-NSHDSACASA-N 1 2 382.309 2.242 20 0 GEADLO O=C1[C@H]([NH+]2CCN(c3ccc(Br)cn3)CC2)CCN1C1CCC1 ZINC000639442392 652936459 /nfs/dbraw/zinc/93/64/59/652936459.db2.gz STRMLLADFJZRMX-OAHLLOKOSA-N 1 2 379.302 2.120 20 0 GEADLO Cc1ncc(CNC(=O)CC[N@@H+](C)Cc2nc3ccsc3c(=O)[nH]2)s1 ZINC000639590599 652942401 /nfs/dbraw/zinc/94/24/01/652942401.db2.gz YPPFJXFQALJPCX-UHFFFAOYSA-N 1 2 377.495 2.300 20 0 GEADLO Cc1ncc(CNC(=O)CC[N@H+](C)Cc2nc3ccsc3c(=O)[nH]2)s1 ZINC000639590599 652942410 /nfs/dbraw/zinc/94/24/10/652942410.db2.gz YPPFJXFQALJPCX-UHFFFAOYSA-N 1 2 377.495 2.300 20 0 GEADLO Cc1csc(CC2(O)CC[NH+](Cc3cc(=O)n4ccsc4n3)CC2)n1 ZINC000639809849 652956464 /nfs/dbraw/zinc/95/64/64/652956464.db2.gz PGVSUSGMCBWYHF-UHFFFAOYSA-N 1 2 376.507 2.091 20 0 GEADLO CCS(=O)(=O)NCCC[N@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000639810845 652956519 /nfs/dbraw/zinc/95/65/19/652956519.db2.gz LFIPVIHHNPYYLF-UHFFFAOYSA-N 1 2 378.420 2.343 20 0 GEADLO CCS(=O)(=O)NCCC[N@@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000639810845 652956522 /nfs/dbraw/zinc/95/65/22/652956522.db2.gz LFIPVIHHNPYYLF-UHFFFAOYSA-N 1 2 378.420 2.343 20 0 GEADLO COc1cc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc(OC)c1Br ZINC000639915099 653088489 /nfs/dbraw/zinc/08/84/89/653088489.db2.gz WJMAVKUYXBXHJK-SNVBAGLBSA-N 1 2 381.230 2.409 20 0 GEADLO O=C(c1cccc2[nH+]ccn21)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000767991000 653097433 /nfs/dbraw/zinc/09/74/33/653097433.db2.gz MKWOFKCUDIPFAT-INIZCTEOSA-N 1 2 399.248 2.410 20 0 GEADLO O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)Nc1ccc2[nH+]ccn2c1 ZINC000676945293 653116954 /nfs/dbraw/zinc/11/69/54/653116954.db2.gz WRMATIKLBFBBIC-UHFFFAOYSA-N 1 2 399.885 2.149 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000805469815 653118507 /nfs/dbraw/zinc/11/85/07/653118507.db2.gz JDNGEWZMAJKATM-WFASDCNBSA-N 1 2 399.285 2.348 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000805469815 653118511 /nfs/dbraw/zinc/11/85/11/653118511.db2.gz JDNGEWZMAJKATM-WFASDCNBSA-N 1 2 399.285 2.348 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(OC)c(OC)c2Br)C1 ZINC000805475585 653118576 /nfs/dbraw/zinc/11/85/76/653118576.db2.gz USJWYHROEYIUHY-CYBMUJFWSA-N 1 2 388.258 2.230 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(OC)c(OC)c2Br)C1 ZINC000805475585 653118580 /nfs/dbraw/zinc/11/85/80/653118580.db2.gz USJWYHROEYIUHY-CYBMUJFWSA-N 1 2 388.258 2.230 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000805473685 653118587 /nfs/dbraw/zinc/11/85/87/653118587.db2.gz XJWZDHXKKBFUNF-GJZGRUSLSA-N 1 2 387.263 2.363 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000805473685 653118590 /nfs/dbraw/zinc/11/85/90/653118590.db2.gz XJWZDHXKKBFUNF-GJZGRUSLSA-N 1 2 387.263 2.363 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cc(OC)c(OC)cc2Br)C1 ZINC000805472809 653118632 /nfs/dbraw/zinc/11/86/32/653118632.db2.gz ONVUCDURPBYUMJ-OAHLLOKOSA-N 1 2 388.258 2.230 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cc(OC)c(OC)cc2Br)C1 ZINC000805472809 653118634 /nfs/dbraw/zinc/11/86/34/653118634.db2.gz ONVUCDURPBYUMJ-OAHLLOKOSA-N 1 2 388.258 2.230 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)C1 ZINC000805479169 653119131 /nfs/dbraw/zinc/11/91/31/653119131.db2.gz LHECKFGGCLCLCH-ZIAGYGMSSA-N 1 2 376.236 2.471 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)C1 ZINC000805479169 653119156 /nfs/dbraw/zinc/11/91/56/653119156.db2.gz LHECKFGGCLCLCH-ZIAGYGMSSA-N 1 2 376.236 2.471 20 0 GEADLO Cc1csc(=O)n1CC[NH+]1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000601775851 653126698 /nfs/dbraw/zinc/12/66/98/653126698.db2.gz UYVWHJVMVOHBTH-QGZVFWFLSA-N 1 2 381.929 2.223 20 0 GEADLO Cc1csc(=O)n1CCN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000601775851 653126701 /nfs/dbraw/zinc/12/67/01/653126701.db2.gz UYVWHJVMVOHBTH-QGZVFWFLSA-N 1 2 381.929 2.223 20 0 GEADLO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCn2cc[nH+]c2)c1 ZINC000771860292 653129931 /nfs/dbraw/zinc/12/99/31/653129931.db2.gz WOMJYKRKGFWAQN-UHFFFAOYSA-N 1 2 385.873 2.422 20 0 GEADLO O=C(OCCn1cc[nH+]c1)c1n[nH]c2ccc(I)cc21 ZINC000771980016 653135886 /nfs/dbraw/zinc/13/58/86/653135886.db2.gz QBMYEAPZVVAZTK-UHFFFAOYSA-N 1 2 382.161 2.221 20 0 GEADLO C[N@H+](CC(=O)OCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCSC1 ZINC000772046671 653137948 /nfs/dbraw/zinc/13/79/48/653137948.db2.gz LATLGYXXCBZMFG-CYBMUJFWSA-N 1 2 387.299 2.368 20 0 GEADLO C[N@@H+](CC(=O)OCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCSC1 ZINC000772046671 653137954 /nfs/dbraw/zinc/13/79/54/653137954.db2.gz LATLGYXXCBZMFG-CYBMUJFWSA-N 1 2 387.299 2.368 20 0 GEADLO C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ncc(Br)s1 ZINC000679067162 653138174 /nfs/dbraw/zinc/13/81/74/653138174.db2.gz QCCISJSOAURBEE-YWVKMMECSA-N 1 2 384.303 2.484 20 0 GEADLO C[C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)N1CCSc2ccccc21 ZINC000772046519 653138318 /nfs/dbraw/zinc/13/83/18/653138318.db2.gz JZCBXLCQQBRTFS-UONOGXRCSA-N 1 2 380.535 2.494 20 0 GEADLO C[C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)N1CCSc2ccccc21 ZINC000772046519 653138320 /nfs/dbraw/zinc/13/83/20/653138320.db2.gz JZCBXLCQQBRTFS-UONOGXRCSA-N 1 2 380.535 2.494 20 0 GEADLO C[N@H+](CCO)Cc1cn(Cc2coc(-c3ccc(Br)cc3)n2)nn1 ZINC000640999454 653150171 /nfs/dbraw/zinc/15/01/71/653150171.db2.gz LVBRYTRTDTWGOK-UHFFFAOYSA-N 1 2 392.257 2.168 20 0 GEADLO C[N@@H+](CCO)Cc1cn(Cc2coc(-c3ccc(Br)cc3)n2)nn1 ZINC000640999454 653150175 /nfs/dbraw/zinc/15/01/75/653150175.db2.gz LVBRYTRTDTWGOK-UHFFFAOYSA-N 1 2 392.257 2.168 20 0 GEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1ccc(N(C)C)c[nH+]1 ZINC000769401983 653152499 /nfs/dbraw/zinc/15/24/99/653152499.db2.gz BICYUIWTUIYIKP-CYBMUJFWSA-N 1 2 383.905 2.278 20 0 GEADLO Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679831741 653154168 /nfs/dbraw/zinc/15/41/68/653154168.db2.gz XZOAKOPKLWPAAX-MRXNPFEDSA-N 1 2 381.523 2.125 20 0 GEADLO Cc1csc(=O)n1CC[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679831741 653154173 /nfs/dbraw/zinc/15/41/73/653154173.db2.gz XZOAKOPKLWPAAX-MRXNPFEDSA-N 1 2 381.523 2.125 20 0 GEADLO COc1ncc(Br)cc1Cn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000641127684 653160393 /nfs/dbraw/zinc/16/03/93/653160393.db2.gz DCMZREYZIHZFQJ-UHFFFAOYSA-N 1 2 396.289 2.103 20 0 GEADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn(CCCCc3cccc(Cl)c3)nn2)C1 ZINC000641142238 653162314 /nfs/dbraw/zinc/16/23/14/653162314.db2.gz ZHIIIBWKHPSZOH-MRXNPFEDSA-N 1 2 382.917 2.231 20 0 GEADLO COCC[N@H+](C)Cc1cn(Cc2c(F)ccc(Br)c2F)nn1 ZINC000641176345 653166774 /nfs/dbraw/zinc/16/67/74/653166774.db2.gz SLMQRHQGKRCNFT-UHFFFAOYSA-N 1 2 375.217 2.445 20 0 GEADLO COCC[N@@H+](C)Cc1cn(Cc2c(F)ccc(Br)c2F)nn1 ZINC000641176345 653166778 /nfs/dbraw/zinc/16/67/78/653166778.db2.gz SLMQRHQGKRCNFT-UHFFFAOYSA-N 1 2 375.217 2.445 20 0 GEADLO Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)nc1Br ZINC000806533351 653167536 /nfs/dbraw/zinc/16/75/36/653167536.db2.gz ROILXXSBCXONOM-OLZOCXBDSA-N 1 2 383.290 2.479 20 0 GEADLO Cn1cc(Br)c(=O)c(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000680847131 653171169 /nfs/dbraw/zinc/17/11/69/653171169.db2.gz LSYZRHXJVJZQND-GFCCVEGCSA-N 1 2 383.246 2.165 20 0 GEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000772932174 653171870 /nfs/dbraw/zinc/17/18/70/653171870.db2.gz MMLMJQQKCJXJOQ-LBPRGKRZSA-N 1 2 394.273 2.210 20 0 GEADLO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ncnn3C)C2=O)ccc1Br ZINC000680951786 653175301 /nfs/dbraw/zinc/17/53/01/653175301.db2.gz WGVOTFXIVASRNI-CQSZACIVSA-N 1 2 378.274 2.171 20 0 GEADLO CN1CCc2c(cccc2S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000641271098 653176169 /nfs/dbraw/zinc/17/61/69/653176169.db2.gz VMGNRZDPLQWLHX-KRWDZBQOSA-N 1 2 379.551 2.317 20 0 GEADLO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000807060525 653183097 /nfs/dbraw/zinc/18/30/97/653183097.db2.gz XNELSXJJMYUQHN-MAZHCROVSA-N 1 2 383.945 2.459 20 0 GEADLO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000807060525 653183103 /nfs/dbraw/zinc/18/31/03/653183103.db2.gz XNELSXJJMYUQHN-MAZHCROVSA-N 1 2 383.945 2.459 20 0 GEADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000602483670 653185403 /nfs/dbraw/zinc/18/54/03/653185403.db2.gz JOARCLKLRHNEDH-OIRASMEMSA-N 1 2 384.498 2.404 20 0 GEADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000602483670 653185407 /nfs/dbraw/zinc/18/54/07/653185407.db2.gz JOARCLKLRHNEDH-OIRASMEMSA-N 1 2 384.498 2.404 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Cl)cc1Br ZINC000807280131 653188332 /nfs/dbraw/zinc/18/83/32/653188332.db2.gz CTNQWCDRZOTGOE-LBPRGKRZSA-N 1 2 386.633 2.271 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCCCc1ccc(Br)cc1F ZINC000641333680 653188852 /nfs/dbraw/zinc/18/88/52/653188852.db2.gz MSVCCLQGMZFAAD-UHFFFAOYSA-N 1 2 390.278 2.337 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCCc1ccccc1Br ZINC000807280982 653188918 /nfs/dbraw/zinc/18/89/18/653188918.db2.gz NKPBZBGXOBQYNJ-HNNXBMFYSA-N 1 2 394.269 2.326 20 0 GEADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cnn2cc(Br)cnc12 ZINC000602625127 653196052 /nfs/dbraw/zinc/19/60/52/653196052.db2.gz DNDVYKLVYQIFOD-GDLCADMTSA-N 1 2 379.258 2.265 20 0 GEADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cnn2cc(Br)cnc12 ZINC000602625127 653196055 /nfs/dbraw/zinc/19/60/55/653196055.db2.gz DNDVYKLVYQIFOD-GDLCADMTSA-N 1 2 379.258 2.265 20 0 GEADLO COC(=O)c1[nH]c(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1C ZINC000602653003 653198215 /nfs/dbraw/zinc/19/82/15/653198215.db2.gz YHEQZYNQMNWROS-AWEZNQCLSA-N 1 2 380.242 2.188 20 0 GEADLO C[C@H]1Cc2ccc(Br)cc2CN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641404104 653200078 /nfs/dbraw/zinc/20/00/78/653200078.db2.gz GDRXTQWUZHYCCB-LBPRGKRZSA-N 1 2 384.299 2.422 20 0 GEADLO Cc1ccc(C[NH+]2CCN(c3ncc(I)cn3)CC2)cn1 ZINC000602733216 653203489 /nfs/dbraw/zinc/20/34/89/653203489.db2.gz LWJBMPIKWZSNFO-UHFFFAOYSA-N 1 2 395.248 2.107 20 0 GEADLO C[C@H](O)C[N@@H+]1CCN(c2ncnc(C(F)(F)F)c2Br)[C@@H](C)C1 ZINC000641501042 653214808 /nfs/dbraw/zinc/21/48/08/653214808.db2.gz QICULXHJGFQGQQ-IUCAKERBSA-N 1 2 383.212 2.149 20 0 GEADLO C[C@H](O)C[N@H+]1CCN(c2ncnc(C(F)(F)F)c2Br)[C@@H](C)C1 ZINC000641501042 653214810 /nfs/dbraw/zinc/21/48/10/653214810.db2.gz QICULXHJGFQGQQ-IUCAKERBSA-N 1 2 383.212 2.149 20 0 GEADLO O=C(CSc1cccc[n+]1[O-])N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000808087502 653217637 /nfs/dbraw/zinc/21/76/37/653217637.db2.gz XJTSOKOJCJDYOS-UHFFFAOYSA-N 1 2 378.523 2.033 20 0 GEADLO COC(=O)c1cc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)c(C)cc1Br ZINC000603012025 653220977 /nfs/dbraw/zinc/22/09/77/653220977.db2.gz YWYYFKPIKQBDKK-JTQLQIEISA-N 1 2 393.241 2.487 20 0 GEADLO CO[C@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000682690456 653221358 /nfs/dbraw/zinc/22/13/58/653221358.db2.gz ITHBGKBHOTZKCH-HZPDHXFCSA-N 1 2 383.286 2.417 20 0 GEADLO CN1CC[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1=O ZINC000682691806 653221962 /nfs/dbraw/zinc/22/19/62/653221962.db2.gz OCRYXUOTWWOVAS-WBVHZDCISA-N 1 2 394.313 2.323 20 0 GEADLO COc1cc(I)ccc1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000603023059 653222181 /nfs/dbraw/zinc/22/21/81/653222181.db2.gz SGDNGLASQAPHDK-SNVBAGLBSA-N 1 2 398.204 2.243 20 0 GEADLO O=C([C@H]1CC[N@@H+](Cn2c(=O)oc3cccc(Br)c32)C1)N1CCCC1 ZINC000808206103 653222358 /nfs/dbraw/zinc/22/23/58/653222358.db2.gz AQAKKGAXXNRAQL-LBPRGKRZSA-N 1 2 394.269 2.259 20 0 GEADLO O=C([C@H]1CC[N@H+](Cn2c(=O)oc3cccc(Br)c32)C1)N1CCCC1 ZINC000808206103 653222361 /nfs/dbraw/zinc/22/23/61/653222361.db2.gz AQAKKGAXXNRAQL-LBPRGKRZSA-N 1 2 394.269 2.259 20 0 GEADLO O=C([C@@H]1CC[N@@H+](Cn2c(=O)oc3ccc(Br)cc32)C1)N1CCCC1 ZINC000808207358 653222478 /nfs/dbraw/zinc/22/24/78/653222478.db2.gz OVYIYUXHINDVTR-GFCCVEGCSA-N 1 2 394.269 2.259 20 0 GEADLO O=C([C@@H]1CC[N@H+](Cn2c(=O)oc3ccc(Br)cc32)C1)N1CCCC1 ZINC000808207358 653222482 /nfs/dbraw/zinc/22/24/82/653222482.db2.gz OVYIYUXHINDVTR-GFCCVEGCSA-N 1 2 394.269 2.259 20 0 GEADLO COC(=O)c1cc(Br)cc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1C ZINC000603040395 653223270 /nfs/dbraw/zinc/22/32/70/653223270.db2.gz WNHVYVIUWNELMP-NSHDSACASA-N 1 2 393.241 2.487 20 0 GEADLO Cn1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2ccc(Cl)s2)n1 ZINC000682808724 653223939 /nfs/dbraw/zinc/22/39/39/653223939.db2.gz KEZGFSMATKXYIY-GFCCVEGCSA-N 1 2 380.901 2.349 20 0 GEADLO C[N@H+](CCn1cc(Br)cn1)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000808243077 653223953 /nfs/dbraw/zinc/22/39/53/653223953.db2.gz VPAJLLBBANAACN-QGZVFWFLSA-N 1 2 392.301 2.120 20 0 GEADLO C[N@@H+](CCn1cc(Br)cn1)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000808243077 653223956 /nfs/dbraw/zinc/22/39/56/653223956.db2.gz VPAJLLBBANAACN-QGZVFWFLSA-N 1 2 392.301 2.120 20 0 GEADLO Cc1cc(Br)c2c(c1)CCN(S(=O)(=O)CCn1cc[nH+]c1)C2 ZINC000641636313 653226314 /nfs/dbraw/zinc/22/63/14/653226314.db2.gz DJKUKFBYCLIYCN-UHFFFAOYSA-N 1 2 384.299 2.342 20 0 GEADLO Cc1nc(Br)ccc1NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000774300857 653233429 /nfs/dbraw/zinc/23/34/29/653233429.db2.gz FGCQIMHRVSMQEO-LBPRGKRZSA-N 1 2 392.257 2.151 20 0 GEADLO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(F)c1 ZINC000642192151 653239618 /nfs/dbraw/zinc/23/96/18/653239618.db2.gz RRJROPOWYIGARZ-OAHLLOKOSA-N 1 2 385.486 2.427 20 0 GEADLO O=C(Nc1nnc(C(F)(F)F)s1)N1CC[NH+](Cc2cccs2)CC1 ZINC000642449688 653247237 /nfs/dbraw/zinc/24/72/37/653247237.db2.gz KNZWGGMIIKPVMM-UHFFFAOYSA-N 1 2 377.417 2.968 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnc2ncc(Br)cc2c1 ZINC000684070253 653253289 /nfs/dbraw/zinc/25/32/89/653253289.db2.gz CGLURPIQPMTREE-GFCCVEGCSA-N 1 2 393.285 2.185 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809538581 653280609 /nfs/dbraw/zinc/28/06/09/653280609.db2.gz HBOFFPZDCSFGMO-NSHDSACASA-N 1 2 391.324 2.402 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000809538581 653280622 /nfs/dbraw/zinc/28/06/22/653280622.db2.gz HBOFFPZDCSFGMO-NSHDSACASA-N 1 2 391.324 2.402 20 0 GEADLO O=S(=O)(c1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000684659684 653285413 /nfs/dbraw/zinc/28/54/13/653285413.db2.gz OCYYOJAMBJCECA-ZIAGYGMSSA-N 1 2 379.309 2.213 20 0 GEADLO CS(=O)(=O)NCC1CC[NH+](Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000809694480 653290281 /nfs/dbraw/zinc/29/02/81/653290281.db2.gz QOCUGYCSBCINMI-UHFFFAOYSA-N 1 2 391.324 2.402 20 0 GEADLO CCC(CC)[C@@H](CNS(=O)(=O)C[C@H]1CCC(F)(F)C1)[NH+]1CCOCC1 ZINC000685294179 653301555 /nfs/dbraw/zinc/30/15/55/653301555.db2.gz XREMTAFXEYTDDS-GOEBONIOSA-N 1 2 382.517 2.478 20 0 GEADLO COC(=O)c1cc(NC(=O)NCc2c[nH+]cn2C)c(Br)cc1F ZINC000809879655 653312301 /nfs/dbraw/zinc/31/23/01/653312301.db2.gz NOSRTXBKQJECSF-UHFFFAOYSA-N 1 2 385.193 2.430 20 0 GEADLO C[N@@H+]1CCN(C(=O)NC[C@H]2CC2(Cl)Cl)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775405224 653312617 /nfs/dbraw/zinc/31/26/17/653312617.db2.gz BBRHCCVHJHBLRV-VXGBXAGGSA-N 1 2 395.331 2.031 20 0 GEADLO C[N@H+]1CCN(C(=O)NC[C@H]2CC2(Cl)Cl)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775405224 653312627 /nfs/dbraw/zinc/31/26/27/653312627.db2.gz BBRHCCVHJHBLRV-VXGBXAGGSA-N 1 2 395.331 2.031 20 0 GEADLO O=C(Cn1cnc(Cl)c1Cl)NCc1ccccc1C[NH+]1CCOCC1 ZINC000809962386 653315178 /nfs/dbraw/zinc/31/51/78/653315178.db2.gz DCCSRLDGOHXDCX-UHFFFAOYSA-N 1 2 383.279 2.339 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000775695332 653322302 /nfs/dbraw/zinc/32/23/02/653322302.db2.gz TZTPGUNZTDMVME-LLVKDONJSA-N 1 2 387.299 2.167 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)ccc1Br ZINC000775695332 653322309 /nfs/dbraw/zinc/32/23/09/653322309.db2.gz TZTPGUNZTDMVME-LLVKDONJSA-N 1 2 387.299 2.167 20 0 GEADLO O=S(=O)(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cncc(Br)c1 ZINC000715594557 653325419 /nfs/dbraw/zinc/32/54/19/653325419.db2.gz PVHIWTJBOMHKIU-OAHLLOKOSA-N 1 2 396.310 2.397 20 0 GEADLO O=S(=O)(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cncc(Br)c1 ZINC000715594557 653325422 /nfs/dbraw/zinc/32/54/22/653325422.db2.gz PVHIWTJBOMHKIU-OAHLLOKOSA-N 1 2 396.310 2.397 20 0 GEADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCc2ccc(F)c(Br)c2C1 ZINC000857875292 653341294 /nfs/dbraw/zinc/34/12/94/653341294.db2.gz ZILWXGAPUSNRRH-UHFFFAOYSA-N 1 2 379.233 2.156 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000857975084 653345831 /nfs/dbraw/zinc/34/58/31/653345831.db2.gz LIENRBXBCVBTPI-NFAWXSAZSA-N 1 2 377.242 2.379 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000857984945 653345996 /nfs/dbraw/zinc/34/59/96/653345996.db2.gz FXHYKIUXWMGQKG-ZFWWWQNUSA-N 1 2 376.869 2.313 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CCn3c[nH+]cc32)c1 ZINC000857981549 653346179 /nfs/dbraw/zinc/34/61/79/653346179.db2.gz GRNWFPXBGOFTJM-ZDUSSCGKSA-N 1 2 398.282 2.314 20 0 GEADLO CCS(=O)(=O)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000875221973 653358732 /nfs/dbraw/zinc/35/87/32/653358732.db2.gz XJLVPZAKHUCYPP-AWEZNQCLSA-N 1 2 396.340 2.330 20 0 GEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1ccnc(Br)c1 ZINC000836694159 653370870 /nfs/dbraw/zinc/37/08/70/653370870.db2.gz FECQISAXURHEQY-UHFFFAOYSA-N 1 2 395.261 2.017 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000837153955 653404739 /nfs/dbraw/zinc/40/47/39/653404739.db2.gz IGCVRGIRQHOAEM-MLGOLLRUSA-N 1 2 378.270 2.400 20 0 GEADLO CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCc1ccn2cc[nH+]c2c1 ZINC000811817433 653407009 /nfs/dbraw/zinc/40/70/09/653407009.db2.gz TWTYWXQHHXDIKD-UHFFFAOYSA-N 1 2 379.873 2.497 20 0 GEADLO CC[N@H+](CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O)[C@@H]1CCOC1 ZINC000812295874 653420426 /nfs/dbraw/zinc/42/04/26/653420426.db2.gz KQHFNNRMRJJKJY-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO CC[N@@H+](CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O)[C@@H]1CCOC1 ZINC000812295874 653420436 /nfs/dbraw/zinc/42/04/36/653420436.db2.gz KQHFNNRMRJJKJY-PXAZEXFGSA-N 1 2 396.285 2.284 20 0 GEADLO CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000778094306 653426276 /nfs/dbraw/zinc/42/62/76/653426276.db2.gz KZJUYQRKDCVLPR-LLVKDONJSA-N 1 2 398.282 2.142 20 0 GEADLO COc1nsc(C[NH2+][C@@H](CCSC)C(=O)N(C)OC)c1Br ZINC000877112182 653466608 /nfs/dbraw/zinc/46/66/08/653466608.db2.gz RKXQMCXRNVEWKI-QMMMGPOBSA-N 1 2 398.348 2.145 20 0 GEADLO NS(=O)(=O)c1cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)ccc1Cl ZINC000876649608 653441442 /nfs/dbraw/zinc/44/14/42/653441442.db2.gz AKLVBTRUZPQCPV-HNNXBMFYSA-N 1 2 388.917 2.147 20 0 GEADLO Nc1c(Cl)cc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1Cl ZINC000778507504 653446259 /nfs/dbraw/zinc/44/62/59/653446259.db2.gz AXIFUMHXJKWDDO-ZDUSSCGKSA-N 1 2 388.295 2.139 20 0 GEADLO O=C(Cn1ccc(Br)n1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000778557752 653447662 /nfs/dbraw/zinc/44/76/62/653447662.db2.gz MKZMWEZFRLQJKY-UHFFFAOYSA-N 1 2 379.258 2.117 20 0 GEADLO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2nc(Cl)cs2)c1 ZINC000877047570 653463296 /nfs/dbraw/zinc/46/32/96/653463296.db2.gz ALRUKOSMHYIQRP-UHFFFAOYSA-N 1 2 375.903 2.011 20 0 GEADLO C[C@H](C(=O)OCCn1cnc(Br)n1)[N@@H+]1CCc2ccccc2C1 ZINC000813205541 653469859 /nfs/dbraw/zinc/46/98/59/653469859.db2.gz UHBXKIQBNUEDAQ-GFCCVEGCSA-N 1 2 379.258 2.031 20 0 GEADLO C[C@H](C(=O)OCCn1cnc(Br)n1)[N@H+]1CCc2ccccc2C1 ZINC000813205541 653469860 /nfs/dbraw/zinc/46/98/60/653469860.db2.gz UHBXKIQBNUEDAQ-GFCCVEGCSA-N 1 2 379.258 2.031 20 0 GEADLO C[C@H](CNC(=O)c1cc(Br)c2ncc(C=O)n2c1)Cn1cc[nH+]c1 ZINC000859507838 653470371 /nfs/dbraw/zinc/47/03/71/653470371.db2.gz OZXLFLSYWAMJOT-LLVKDONJSA-N 1 2 390.241 2.172 20 0 GEADLO NC(=O)c1cc(OC2CC[NH+](Cc3cccnc3Br)CC2)ccn1 ZINC000877527969 653610828 /nfs/dbraw/zinc/61/08/28/653610828.db2.gz PTSIASSOQIEMKI-UHFFFAOYSA-N 1 2 391.269 2.381 20 0 GEADLO COc1nsc(C[NH+]2CCC(C(=O)N(C)OC)CC2)c1Br ZINC000877543660 653611652 /nfs/dbraw/zinc/61/16/52/653611652.db2.gz FEBUUFOYYXMGFT-UHFFFAOYSA-N 1 2 378.292 2.146 20 0 GEADLO CO[C@H]1C[C@H]2C[N@H+](Cc3cc(Br)nn3C)Cc3cccnc3N2C1 ZINC000877687439 653616846 /nfs/dbraw/zinc/61/68/46/653616846.db2.gz IQCLOWDEJXIWCU-GJZGRUSLSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@H]1C[C@H]2C[N@@H+](Cc3cc(Br)nn3C)Cc3cccnc3N2C1 ZINC000877687439 653616850 /nfs/dbraw/zinc/61/68/50/653616850.db2.gz IQCLOWDEJXIWCU-GJZGRUSLSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@@H]1C[C@H]2C[N@H+](Cc3cc(Br)nn3C)Cc3cccnc3N2C1 ZINC000877687441 653616895 /nfs/dbraw/zinc/61/68/95/653616895.db2.gz IQCLOWDEJXIWCU-LSDHHAIUSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@@H]1C[C@H]2C[N@@H+](Cc3cc(Br)nn3C)Cc3cccnc3N2C1 ZINC000877687441 653616899 /nfs/dbraw/zinc/61/68/99/653616899.db2.gz IQCLOWDEJXIWCU-LSDHHAIUSA-N 1 2 392.301 2.187 20 0 GEADLO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cc(OC)ccc3Br)C2)C1 ZINC000877714673 653617787 /nfs/dbraw/zinc/61/77/87/653617787.db2.gz PVKYSAJHFDLJSG-INIZCTEOSA-N 1 2 383.242 2.352 20 0 GEADLO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cc(OC)ccc3Br)C2)C1 ZINC000877714673 653617789 /nfs/dbraw/zinc/61/77/89/653617789.db2.gz PVKYSAJHFDLJSG-INIZCTEOSA-N 1 2 383.242 2.352 20 0 GEADLO COC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)o1)c1cccc(Br)c1 ZINC000877759227 653618570 /nfs/dbraw/zinc/61/85/70/653618570.db2.gz ZDPMIDILAAWRGS-CYBMUJFWSA-N 1 2 389.271 2.167 20 0 GEADLO O=S1(=O)C[C@H]2CC[N@@H+](Cc3c(Cl)cccc3N3CCOCC3)C[C@H]2C1 ZINC000877790653 653620433 /nfs/dbraw/zinc/62/04/33/653620433.db2.gz NZRLYYIFXHXDCQ-CABCVRRESA-N 1 2 384.929 2.043 20 0 GEADLO O=S1(=O)C[C@H]2CC[N@H+](Cc3c(Cl)cccc3N3CCOCC3)C[C@H]2C1 ZINC000877790653 653620434 /nfs/dbraw/zinc/62/04/34/653620434.db2.gz NZRLYYIFXHXDCQ-CABCVRRESA-N 1 2 384.929 2.043 20 0 GEADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000877799904 653621110 /nfs/dbraw/zinc/62/11/10/653621110.db2.gz UWWNTHKMSRGELM-UPJWGTAASA-N 1 2 389.327 2.359 20 0 GEADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000877799904 653621113 /nfs/dbraw/zinc/62/11/13/653621113.db2.gz UWWNTHKMSRGELM-UPJWGTAASA-N 1 2 389.327 2.359 20 0 GEADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000877799902 653621223 /nfs/dbraw/zinc/62/12/23/653621223.db2.gz UWWNTHKMSRGELM-FRRDWIJNSA-N 1 2 389.327 2.359 20 0 GEADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000877799902 653621227 /nfs/dbraw/zinc/62/12/27/653621227.db2.gz UWWNTHKMSRGELM-FRRDWIJNSA-N 1 2 389.327 2.359 20 0 GEADLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000877895437 653622594 /nfs/dbraw/zinc/62/25/94/653622594.db2.gz DTCGIFGLTYGUPX-CQSZACIVSA-N 1 2 377.457 2.423 20 0 GEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CCc2ccccc2Br)CC1 ZINC000877896827 653622691 /nfs/dbraw/zinc/62/26/91/653622691.db2.gz LQGPLGNBLQEYCL-CQSZACIVSA-N 1 2 380.330 2.276 20 0 GEADLO CC(C)(C)n1cc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c(Br)n1 ZINC000780478346 653626496 /nfs/dbraw/zinc/62/64/96/653626496.db2.gz PKGOFIICRQADAS-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO CC(C)(C)n1cc(C(=O)NCC[N@H+]2CCOCC2(C)C)c(Br)n1 ZINC000780478346 653626498 /nfs/dbraw/zinc/62/64/98/653626498.db2.gz PKGOFIICRQADAS-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c3nonc32)C[C@@H]1n1cc[nH+]c1 ZINC000814387453 653629103 /nfs/dbraw/zinc/62/91/03/653629103.db2.gz YOQCEMDFVFHORL-JQWIXIFHSA-N 1 2 381.845 2.345 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)C(C)(C)C1 ZINC000860511979 653629132 /nfs/dbraw/zinc/62/91/32/653629132.db2.gz ZBHKPQYCBJTDPM-UHFFFAOYSA-N 1 2 379.258 2.076 20 0 GEADLO C[N@H+]1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)C(C)(C)C1 ZINC000860511979 653629134 /nfs/dbraw/zinc/62/91/34/653629134.db2.gz ZBHKPQYCBJTDPM-UHFFFAOYSA-N 1 2 379.258 2.076 20 0 GEADLO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000780868002 653634466 /nfs/dbraw/zinc/63/44/66/653634466.db2.gz UJPYFWPMWOOCKW-VIFPVBQESA-N 1 2 383.258 2.490 20 0 GEADLO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000780868002 653634470 /nfs/dbraw/zinc/63/44/70/653634470.db2.gz UJPYFWPMWOOCKW-VIFPVBQESA-N 1 2 383.258 2.490 20 0 GEADLO CC[C@@H]([NH2+]Cc1cn(C)nc1Br)c1cccc(S(N)(=O)=O)c1 ZINC000878362008 653635863 /nfs/dbraw/zinc/63/58/63/653635863.db2.gz KJNWGFKMNHNBTJ-CYBMUJFWSA-N 1 2 387.303 2.071 20 0 GEADLO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)N=S(C)(C)=O)C1CCCCC1 ZINC000878378960 653636180 /nfs/dbraw/zinc/63/61/80/653636180.db2.gz REDKYKARFKYKCI-CQSZACIVSA-N 1 2 375.535 2.304 20 0 GEADLO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H](O)CC(C)(C)O ZINC000878558565 653641082 /nfs/dbraw/zinc/64/10/82/653641082.db2.gz JYRSFCSICDCTFP-OAHLLOKOSA-N 1 2 377.312 2.453 20 0 GEADLO CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H](O)CC(C)(C)O ZINC000878558565 653641083 /nfs/dbraw/zinc/64/10/83/653641083.db2.gz JYRSFCSICDCTFP-OAHLLOKOSA-N 1 2 377.312 2.453 20 0 GEADLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878614413 653642663 /nfs/dbraw/zinc/64/26/63/653642663.db2.gz MMDQNKMHRZRDLD-NEPJUHHUSA-N 1 2 390.278 2.460 20 0 GEADLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)c1cc(Br)no1 ZINC000878614413 653642667 /nfs/dbraw/zinc/64/26/67/653642667.db2.gz MMDQNKMHRZRDLD-NEPJUHHUSA-N 1 2 390.278 2.460 20 0 GEADLO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)s1 ZINC000878630086 653643068 /nfs/dbraw/zinc/64/30/68/653643068.db2.gz QQCRDQVJZNVINO-JTQLQIEISA-N 1 2 379.404 2.210 20 0 GEADLO CCOC(=O)c1ncc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)s1 ZINC000878630086 653643071 /nfs/dbraw/zinc/64/30/71/653643071.db2.gz QQCRDQVJZNVINO-JTQLQIEISA-N 1 2 379.404 2.210 20 0 GEADLO O=c1[nH]ccn2c(C[N@H+]3CCC[C@@H]3Cc3ccccc3Br)nnc12 ZINC000878719459 653645467 /nfs/dbraw/zinc/64/54/67/653645467.db2.gz BONUUAIUVXEXHV-CYBMUJFWSA-N 1 2 388.269 2.387 20 0 GEADLO O=c1[nH]ccn2c(C[N@@H+]3CCC[C@@H]3Cc3ccccc3Br)nnc12 ZINC000878719459 653645471 /nfs/dbraw/zinc/64/54/71/653645471.db2.gz BONUUAIUVXEXHV-CYBMUJFWSA-N 1 2 388.269 2.387 20 0 GEADLO O=c1[nH]ccn2c(C[N@H+]3CCC[C@H]3Cc3ccccc3Br)nnc12 ZINC000878719460 653645559 /nfs/dbraw/zinc/64/55/59/653645559.db2.gz BONUUAIUVXEXHV-ZDUSSCGKSA-N 1 2 388.269 2.387 20 0 GEADLO O=c1[nH]ccn2c(C[N@@H+]3CCC[C@H]3Cc3ccccc3Br)nnc12 ZINC000878719460 653645562 /nfs/dbraw/zinc/64/55/62/653645562.db2.gz BONUUAIUVXEXHV-ZDUSSCGKSA-N 1 2 388.269 2.387 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2ccnc(Br)c2)C1)C1CC1 ZINC000815118838 653652918 /nfs/dbraw/zinc/65/29/18/653652918.db2.gz SJURIURFWOWGAZ-ZDUSSCGKSA-N 1 2 388.331 2.138 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ccnc(Br)c2)C1)C1CC1 ZINC000815118838 653652920 /nfs/dbraw/zinc/65/29/20/653652920.db2.gz SJURIURFWOWGAZ-ZDUSSCGKSA-N 1 2 388.331 2.138 20 0 GEADLO CC(C)[C@H]([NH2+]CC(=O)N=[S@@](C)(=O)N(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000878996431 653654608 /nfs/dbraw/zinc/65/46/08/653654608.db2.gz JGOVXUKPLRYPNH-VMPBMTGNSA-N 1 2 375.922 2.089 20 0 GEADLO COC(=O)[C@H]1C[N@H+](C[C@@H](O)c2cc(Br)no2)Cc2ccccc21 ZINC000879061880 653657498 /nfs/dbraw/zinc/65/74/98/653657498.db2.gz GPNHURBEHBAMPV-QWHCGFSZSA-N 1 2 381.226 2.243 20 0 GEADLO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)c2cc(Br)no2)Cc2ccccc21 ZINC000879061880 653657500 /nfs/dbraw/zinc/65/75/00/653657500.db2.gz GPNHURBEHBAMPV-QWHCGFSZSA-N 1 2 381.226 2.243 20 0 GEADLO O=C(Cc1cccs1)Nc1nc(CC(=O)OCCn2cc[nH+]c2)cs1 ZINC000782361912 653660010 /nfs/dbraw/zinc/66/00/10/653660010.db2.gz NCPBYVMCQJJSLB-UHFFFAOYSA-N 1 2 376.463 2.368 20 0 GEADLO OC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)s3)no2)[C@@H]1CO ZINC000879363527 653666853 /nfs/dbraw/zinc/66/68/53/653666853.db2.gz VYRMFMSVCCVQGK-VHSXEESVSA-N 1 2 388.287 2.126 20 0 GEADLO OC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)[C@@H]1CO ZINC000879363527 653666854 /nfs/dbraw/zinc/66/68/54/653666854.db2.gz VYRMFMSVCCVQGK-VHSXEESVSA-N 1 2 388.287 2.126 20 0 GEADLO O[C@H](C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1)c1cc(Br)no1 ZINC000879502380 653671042 /nfs/dbraw/zinc/67/10/42/653671042.db2.gz GQIJRBJMPNWMSX-CHWSQXEVSA-N 1 2 379.258 2.350 20 0 GEADLO O[C@H](C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1)c1cc(Br)no1 ZINC000879502380 653671044 /nfs/dbraw/zinc/67/10/44/653671044.db2.gz GQIJRBJMPNWMSX-CHWSQXEVSA-N 1 2 379.258 2.350 20 0 GEADLO CN1C(=O)[C@H]2C[N@H+](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C[C@H]2C1=O ZINC000879533671 653671686 /nfs/dbraw/zinc/67/16/86/653671686.db2.gz ITEUPCXBQWXCTA-OCAPTIKFSA-N 1 2 390.654 2.132 20 0 GEADLO CN1C(=O)[C@H]2C[N@@H+](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C[C@H]2C1=O ZINC000879533671 653671688 /nfs/dbraw/zinc/67/16/88/653671688.db2.gz ITEUPCXBQWXCTA-OCAPTIKFSA-N 1 2 390.654 2.132 20 0 GEADLO O=C1[C@@H](c2cccc(Br)c2)CCN1CN1CCn2c[nH+]cc2C1 ZINC000840072508 653673378 /nfs/dbraw/zinc/67/33/78/653673378.db2.gz CVAOKILFIZGTKL-MRXNPFEDSA-N 1 2 375.270 2.435 20 0 GEADLO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc(Br)cc(C=O)c2)C[C@@H]1C ZINC000862098718 653675559 /nfs/dbraw/zinc/67/55/59/653675559.db2.gz WUPZLCXHDVTAIG-BETUJISGSA-N 1 2 383.286 2.443 20 0 GEADLO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc(Br)cc(C=O)c2)C[C@@H]1C ZINC000862098718 653675563 /nfs/dbraw/zinc/67/55/63/653675563.db2.gz WUPZLCXHDVTAIG-BETUJISGSA-N 1 2 383.286 2.443 20 0 GEADLO NS(=O)(=O)c1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C2 ZINC000879677471 653678753 /nfs/dbraw/zinc/67/87/53/653678753.db2.gz LQIUSDYVAVAFIE-MRXNPFEDSA-N 1 2 384.860 2.218 20 0 GEADLO NS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C2 ZINC000879677471 653678755 /nfs/dbraw/zinc/67/87/55/653678755.db2.gz LQIUSDYVAVAFIE-MRXNPFEDSA-N 1 2 384.860 2.218 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCSCc1ccnc(Cl)c1 ZINC000840344896 653683261 /nfs/dbraw/zinc/68/32/61/653683261.db2.gz GXWHDJHZGCSQJT-UHFFFAOYSA-N 1 2 386.949 2.378 20 0 GEADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1C[C@H]2C[C@@]2(CO)C1 ZINC000783788883 653684742 /nfs/dbraw/zinc/68/47/42/653684742.db2.gz MUOIBIIQMZKFOU-HFTRVMKXSA-N 1 2 379.298 2.427 20 0 GEADLO CONC(=O)C1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000879923557 653687467 /nfs/dbraw/zinc/68/74/67/653687467.db2.gz HQQYVQLSBZSKAR-OAHLLOKOSA-N 1 2 386.279 2.488 20 0 GEADLO O=C(OCCCn1cc[nH+]c1)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000783989636 653687828 /nfs/dbraw/zinc/68/78/28/653687828.db2.gz XIWCPOJHOWWDLU-UHFFFAOYSA-N 1 2 383.857 2.178 20 0 GEADLO S=C1N=NC(Cc2cccs2)N1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000784044794 653688579 /nfs/dbraw/zinc/68/85/79/653688579.db2.gz WXIYDYBYYTVYLL-UHFFFAOYSA-N 1 2 380.539 2.306 20 0 GEADLO S=C1N=NC(Cc2cccs2)N1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000784044794 653688582 /nfs/dbraw/zinc/68/85/82/653688582.db2.gz WXIYDYBYYTVYLL-UHFFFAOYSA-N 1 2 380.539 2.306 20 0 GEADLO O=C1OCC[C@@]12CCC[N@H+]2C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000784352371 653692632 /nfs/dbraw/zinc/69/26/32/653692632.db2.gz SUDWGGSGJNLVLY-CJNGLKHVSA-N 1 2 388.233 2.109 20 0 GEADLO O=C1OCC[C@@]12CCC[N@@H+]2C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000784352371 653692634 /nfs/dbraw/zinc/69/26/34/653692634.db2.gz SUDWGGSGJNLVLY-CJNGLKHVSA-N 1 2 388.233 2.109 20 0 GEADLO O=C1OCC[C@]12CCC[N@H+]2C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000784352372 653692650 /nfs/dbraw/zinc/69/26/50/653692650.db2.gz SUDWGGSGJNLVLY-CZUORRHYSA-N 1 2 388.233 2.109 20 0 GEADLO O=C1OCC[C@]12CCC[N@@H+]2C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000784352372 653692652 /nfs/dbraw/zinc/69/26/52/653692652.db2.gz SUDWGGSGJNLVLY-CZUORRHYSA-N 1 2 388.233 2.109 20 0 GEADLO CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000880129464 653698629 /nfs/dbraw/zinc/69/86/29/653698629.db2.gz JNUDTCYQFGUEOF-HOTGVXAUSA-N 1 2 387.343 2.391 20 0 GEADLO CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000880129464 653698631 /nfs/dbraw/zinc/69/86/31/653698631.db2.gz JNUDTCYQFGUEOF-HOTGVXAUSA-N 1 2 387.343 2.391 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)COc1ccc(Br)cc1F ZINC000784905134 653701024 /nfs/dbraw/zinc/70/10/24/653701024.db2.gz BIOBGIVLXWUNIA-NSHDSACASA-N 1 2 376.222 2.231 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)c(C)c1Cl ZINC000840950170 653703143 /nfs/dbraw/zinc/70/31/43/653703143.db2.gz FOTIOCXFSCNOCS-VIFPVBQESA-N 1 2 391.902 2.308 20 0 GEADLO NC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CC[C@@H](c3nccs3)C1)CCC2 ZINC000880317564 653703538 /nfs/dbraw/zinc/70/35/38/653703538.db2.gz PVKPETQESHCHOY-SNVBAGLBSA-N 1 2 376.507 2.220 20 0 GEADLO NC(=O)c1c2c(sc1NC(=O)C[N@H+]1CC[C@@H](c3nccs3)C1)CCC2 ZINC000880317564 653703540 /nfs/dbraw/zinc/70/35/40/653703540.db2.gz PVKPETQESHCHOY-SNVBAGLBSA-N 1 2 376.507 2.220 20 0 GEADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCc2ccsc2[C@H]1C ZINC000880377310 653704887 /nfs/dbraw/zinc/70/48/87/653704887.db2.gz SHLWEZQBCVAGPI-GFCCVEGCSA-N 1 2 379.507 2.262 20 0 GEADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCc2ccsc2[C@H]1C ZINC000880377310 653704889 /nfs/dbraw/zinc/70/48/89/653704889.db2.gz SHLWEZQBCVAGPI-GFCCVEGCSA-N 1 2 379.507 2.262 20 0 GEADLO NC(=O)C[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000880393364 653705172 /nfs/dbraw/zinc/70/51/72/653705172.db2.gz PZQSENOJNBLFIQ-QHCPKHFHSA-N 1 2 379.309 2.067 20 0 GEADLO NC(=O)C[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000880393364 653705173 /nfs/dbraw/zinc/70/51/73/653705173.db2.gz PZQSENOJNBLFIQ-QHCPKHFHSA-N 1 2 379.309 2.067 20 0 GEADLO C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC[N@@H+]1Cc1ccccc1 ZINC000817182183 653705507 /nfs/dbraw/zinc/70/55/07/653705507.db2.gz MBRWGTABLHAVEB-DZGCQCFKSA-N 1 2 384.307 2.029 20 0 GEADLO C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC[N@H+]1Cc1ccccc1 ZINC000817182183 653705510 /nfs/dbraw/zinc/70/55/10/653705510.db2.gz MBRWGTABLHAVEB-DZGCQCFKSA-N 1 2 384.307 2.029 20 0 GEADLO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC[N@@H+]1Cc1ccccc1 ZINC000817182185 653705564 /nfs/dbraw/zinc/70/55/64/653705564.db2.gz MBRWGTABLHAVEB-UKRRQHHQSA-N 1 2 384.307 2.029 20 0 GEADLO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC[N@H+]1Cc1ccccc1 ZINC000817182185 653705567 /nfs/dbraw/zinc/70/55/67/653705567.db2.gz MBRWGTABLHAVEB-UKRRQHHQSA-N 1 2 384.307 2.029 20 0 GEADLO Cn1nc(Br)cc1C(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817186911 653705989 /nfs/dbraw/zinc/70/59/89/653705989.db2.gz ISXGDWIIPVOXHE-UHFFFAOYSA-N 1 2 394.269 2.372 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21)c1ccc(Br)cc1 ZINC000880530002 653707574 /nfs/dbraw/zinc/70/75/74/653707574.db2.gz DFMKDPOOXWEWPV-JDFRZJQESA-N 1 2 394.313 2.227 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21)c1ccc(Br)cc1 ZINC000880530002 653707578 /nfs/dbraw/zinc/70/75/78/653707578.db2.gz DFMKDPOOXWEWPV-JDFRZJQESA-N 1 2 394.313 2.227 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21)c1ccc(Br)cc1 ZINC000880530003 653707631 /nfs/dbraw/zinc/70/76/31/653707631.db2.gz DFMKDPOOXWEWPV-QEORTHHSSA-N 1 2 394.313 2.227 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21)c1ccc(Br)cc1 ZINC000880530003 653707632 /nfs/dbraw/zinc/70/76/32/653707632.db2.gz DFMKDPOOXWEWPV-QEORTHHSSA-N 1 2 394.313 2.227 20 0 GEADLO COc1ccc(C[N@@H+](CCO)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000880571045 653708293 /nfs/dbraw/zinc/70/82/93/653708293.db2.gz JWLOEAMRERSXLO-UHFFFAOYSA-N 1 2 394.269 2.286 20 0 GEADLO COc1ccc(C[N@H+](CCO)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000880571045 653708291 /nfs/dbraw/zinc/70/82/91/653708291.db2.gz JWLOEAMRERSXLO-UHFFFAOYSA-N 1 2 394.269 2.286 20 0 GEADLO Cn1nc(CSCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000863402380 653709639 /nfs/dbraw/zinc/70/96/39/653709639.db2.gz JIBZEARGEMMSSU-UHFFFAOYSA-N 1 2 379.917 2.441 20 0 GEADLO Cn1ncc(Br)c1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000785511637 653711187 /nfs/dbraw/zinc/71/11/87/653711187.db2.gz OXGMJDIPUIIWPD-OAHLLOKOSA-N 1 2 377.286 2.463 20 0 GEADLO CC(=O)c1ccc(Br)c(NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)c1 ZINC000880807764 653715282 /nfs/dbraw/zinc/71/52/82/653715282.db2.gz FHWABDYSKMIOOO-NSHDSACASA-N 1 2 384.274 2.182 20 0 GEADLO CC(=O)c1ccc(Br)c(NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)c1 ZINC000880807764 653715283 /nfs/dbraw/zinc/71/52/83/653715283.db2.gz FHWABDYSKMIOOO-NSHDSACASA-N 1 2 384.274 2.182 20 0 GEADLO C[C@@H]1CN(C(=O)C(F)(F)c2ccccc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000841457708 653718042 /nfs/dbraw/zinc/71/80/42/653718042.db2.gz VTUIHSYPNPOVIT-NEPJUHHUSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@@H]1CN(C(=O)C(F)(F)c2ccccc2Br)[C@@H](C)C[N@H+]1CCO ZINC000841457708 653718043 /nfs/dbraw/zinc/71/80/43/653718043.db2.gz VTUIHSYPNPOVIT-NEPJUHHUSA-N 1 2 391.256 2.454 20 0 GEADLO O=S(=O)(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccc2scnc21 ZINC000841505465 653722749 /nfs/dbraw/zinc/72/27/49/653722749.db2.gz HMHVKGUDAKDESH-KBPBESRZSA-N 1 2 381.523 2.218 20 0 GEADLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(Br)nn1C ZINC000787062406 653733989 /nfs/dbraw/zinc/73/39/89/653733989.db2.gz BUIASADGBOVUNU-JTQLQIEISA-N 1 2 387.303 2.023 20 0 GEADLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Br)nn1C ZINC000787062406 653733992 /nfs/dbraw/zinc/73/39/92/653733992.db2.gz BUIASADGBOVUNU-JTQLQIEISA-N 1 2 387.303 2.023 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)CCCCC(N)=O)cc2Br)CC1 ZINC000787668019 653741843 /nfs/dbraw/zinc/74/18/43/653741843.db2.gz BOWSDKVDMAOKAN-UHFFFAOYSA-N 1 2 397.317 2.185 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)C3(O)CCCC3)cc2Br)CC1 ZINC000787675033 653741910 /nfs/dbraw/zinc/74/19/10/653741910.db2.gz ORQAPOWSYNBPMH-UHFFFAOYSA-N 1 2 382.302 2.445 20 0 GEADLO CCCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787871700 653745152 /nfs/dbraw/zinc/74/51/52/653745152.db2.gz HGEQPJAOCCSXLB-UHFFFAOYSA-N 1 2 397.317 2.056 20 0 GEADLO NC(=O)c1c(NC(=O)C[N@@H+]2CCSC[C@H]2C2CCC2)sc2c1CCC2 ZINC000842171499 653747081 /nfs/dbraw/zinc/74/70/81/653747081.db2.gz SPTCGSAASLKUAL-ZDUSSCGKSA-N 1 2 379.551 2.492 20 0 GEADLO NC(=O)c1c(NC(=O)C[N@H+]2CCSC[C@H]2C2CCC2)sc2c1CCC2 ZINC000842171499 653747082 /nfs/dbraw/zinc/74/70/82/653747082.db2.gz SPTCGSAASLKUAL-ZDUSSCGKSA-N 1 2 379.551 2.492 20 0 GEADLO CC(=O)N[C@@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000864884962 653747812 /nfs/dbraw/zinc/74/78/12/653747812.db2.gz QPVHVDVWLOYCNE-XHDPSFHLSA-N 1 2 379.258 2.028 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CCO1 ZINC000865092752 653753453 /nfs/dbraw/zinc/75/34/53/653753453.db2.gz XWJAYFGKJMRDMT-GLZXHMCRSA-N 1 2 379.298 2.172 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CCO1 ZINC000865092752 653753456 /nfs/dbraw/zinc/75/34/56/653753456.db2.gz XWJAYFGKJMRDMT-GLZXHMCRSA-N 1 2 379.298 2.172 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000881986568 653755172 /nfs/dbraw/zinc/75/51/72/653755172.db2.gz MZJUXHQKSCMEFD-WDNXAPGXSA-N 1 2 388.559 2.441 20 0 GEADLO O=C(Cn1ccc(Br)cc1=O)NCCCCNc1cccc[nH+]1 ZINC000865175457 653756100 /nfs/dbraw/zinc/75/61/00/653756100.db2.gz GJIBMDAKWLOSPP-UHFFFAOYSA-N 1 2 379.258 2.014 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2C[NH+](C(C)C)C2)c1 ZINC000788601583 653760567 /nfs/dbraw/zinc/76/05/67/653760567.db2.gz DJDIWFNRBHBVOY-UHFFFAOYSA-N 1 2 387.933 2.193 20 0 GEADLO O=S(=O)(c1c(Cl)nc2sccn21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788703982 653763653 /nfs/dbraw/zinc/76/36/53/653763653.db2.gz VHWQRCOKZPVOFQ-LLVKDONJSA-N 1 2 384.870 2.286 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000882127210 653763993 /nfs/dbraw/zinc/76/39/93/653763993.db2.gz GNDFIAJABFSLDM-CQSZACIVSA-N 1 2 378.281 2.233 20 0 GEADLO Cc1c(Cl)nc(-c2ccccn2)nc1N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000865554319 653768164 /nfs/dbraw/zinc/76/81/64/653768164.db2.gz XLURXJUAMBWVCU-RUZDIDTESA-N 1 2 379.917 2.001 20 0 GEADLO Fc1ccc(CCNC(=S)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000789206630 653770179 /nfs/dbraw/zinc/77/01/79/653770179.db2.gz JONHQFOWNONZDN-SFHVURJKSA-N 1 2 383.558 2.040 20 0 GEADLO O=S(=O)(/C=C/c1cccc(Br)c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000842863533 653771000 /nfs/dbraw/zinc/77/10/00/653771000.db2.gz HOFBLDBCELSWFF-RPTYSRGTSA-N 1 2 381.242 2.289 20 0 GEADLO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CC[NH2+]C[C@H]1C(F)F ZINC000842864979 653771010 /nfs/dbraw/zinc/77/10/10/653771010.db2.gz QHDYAWHQJMRRHB-JECSTDCCSA-N 1 2 381.242 2.289 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(Cl)cc(Cl)c2F)CC1 ZINC000865662908 653771446 /nfs/dbraw/zinc/77/14/46/653771446.db2.gz NEDDAGHCQOROSJ-UHFFFAOYSA-N 1 2 397.299 2.371 20 0 GEADLO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000842880053 653771553 /nfs/dbraw/zinc/77/15/53/653771553.db2.gz XHJOHKCJAGWUQS-MRXNPFEDSA-N 1 2 387.864 2.219 20 0 GEADLO CS(=O)(=O)c1ccc(Cl)c(C(=O)OCC2CN(c3cccc[nH+]3)C2)c1 ZINC000842891169 653772113 /nfs/dbraw/zinc/77/21/13/653772113.db2.gz KKFNNPYARIVLSG-UHFFFAOYSA-N 1 2 380.853 2.432 20 0 GEADLO COc1nc(Br)ccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000789386796 653773600 /nfs/dbraw/zinc/77/36/00/653773600.db2.gz HJOGPYICAYRDHB-GFCCVEGCSA-N 1 2 399.289 2.181 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(Br)c(F)c1 ZINC000842965563 653775181 /nfs/dbraw/zinc/77/51/81/653775181.db2.gz IQCUEXRXIUBUTR-AAEUAGOBSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(Br)c(F)c1 ZINC000842965563 653775183 /nfs/dbraw/zinc/77/51/83/653775183.db2.gz IQCUEXRXIUBUTR-AAEUAGOBSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(Br)c(F)c1 ZINC000842965567 653775304 /nfs/dbraw/zinc/77/53/04/653775304.db2.gz IQCUEXRXIUBUTR-WCQYABFASA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(Br)c(F)c1 ZINC000842965567 653775307 /nfs/dbraw/zinc/77/53/07/653775307.db2.gz IQCUEXRXIUBUTR-WCQYABFASA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(Br)c(F)c1 ZINC000842965565 653775332 /nfs/dbraw/zinc/77/53/32/653775332.db2.gz IQCUEXRXIUBUTR-DGCLKSJQSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(Br)c(F)c1 ZINC000842965565 653775335 /nfs/dbraw/zinc/77/53/35/653775335.db2.gz IQCUEXRXIUBUTR-DGCLKSJQSA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)CSc1ccc(F)c(F)c1 ZINC000842967387 653775466 /nfs/dbraw/zinc/77/54/66/653775466.db2.gz SYBLKAOQQOSWII-OLZOCXBDSA-N 1 2 375.437 2.336 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)CSc1ccc(F)c(F)c1 ZINC000842967387 653775469 /nfs/dbraw/zinc/77/54/69/653775469.db2.gz SYBLKAOQQOSWII-OLZOCXBDSA-N 1 2 375.437 2.336 20 0 GEADLO Cn1ncc(I)c1C[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000865868585 653778066 /nfs/dbraw/zinc/77/80/66/653778066.db2.gz LXLJTGTXOLTAJO-UHFFFAOYSA-N 1 2 399.158 2.067 20 0 GEADLO CCN(C)c1ccc(C[NH2+]Cc2c(I)cnn2C)cn1 ZINC000865868862 653778126 /nfs/dbraw/zinc/77/81/26/653778126.db2.gz OZVGTDIJBIJVSQ-UHFFFAOYSA-N 1 2 385.253 2.166 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@H](C(F)(F)F)CC2)C1 ZINC000882514126 653786058 /nfs/dbraw/zinc/78/60/58/653786058.db2.gz ALURHQCGKOGMSV-HNNXBMFYSA-N 1 2 378.416 2.016 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@H](C(F)(F)F)CC2)C1 ZINC000882514126 653786060 /nfs/dbraw/zinc/78/60/60/653786060.db2.gz ALURHQCGKOGMSV-HNNXBMFYSA-N 1 2 378.416 2.016 20 0 GEADLO CN1C(=O)CS/C1=C\C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000821319378 653794400 /nfs/dbraw/zinc/79/44/00/653794400.db2.gz WVLSLVGRPFLQCW-JQFAORGMSA-N 1 2 383.876 2.387 20 0 GEADLO CN1C(=O)CS/C1=C\C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000821319378 653794402 /nfs/dbraw/zinc/79/44/02/653794402.db2.gz WVLSLVGRPFLQCW-JQFAORGMSA-N 1 2 383.876 2.387 20 0 GEADLO Brc1ncn(CC[NH+]2CCN(c3cncc4ccccc43)CC2)n1 ZINC000821408159 653797998 /nfs/dbraw/zinc/79/79/98/653797998.db2.gz BCWPSGQJRCPQGC-UHFFFAOYSA-N 1 2 387.285 2.411 20 0 GEADLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000882736226 653801769 /nfs/dbraw/zinc/80/17/69/653801769.db2.gz GEIOVEJQAQZHCL-ZDUSSCGKSA-N 1 2 377.242 2.175 20 0 GEADLO O=C(NCCO)C1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000844283139 653804448 /nfs/dbraw/zinc/80/44/48/653804448.db2.gz ZXXARSUKQKKJHF-UHFFFAOYSA-N 1 2 377.229 2.048 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(Cc2cc(Br)cc(F)c2F)CC1 ZINC000844308616 653804911 /nfs/dbraw/zinc/80/49/11/653804911.db2.gz UOXUAUJZJKJWPG-NRFANRHFSA-N 1 2 381.286 2.223 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)C[C@H](C)O1 ZINC000866596502 653805354 /nfs/dbraw/zinc/80/53/54/653805354.db2.gz GLNDJNABMOTGEJ-LJISPDSOSA-N 1 2 399.384 2.474 20 0 GEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)C[C@H](C)O1 ZINC000866596502 653805355 /nfs/dbraw/zinc/80/53/55/653805355.db2.gz GLNDJNABMOTGEJ-LJISPDSOSA-N 1 2 399.384 2.474 20 0 GEADLO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882838234 653813124 /nfs/dbraw/zinc/81/31/24/653813124.db2.gz BJVGMNHJYMLSSY-IZHWHUGBSA-N 1 2 384.527 2.355 20 0 GEADLO Nc1cc(COC(=O)COc2ccc(I)cc2)cc[nH+]1 ZINC000791519184 653816658 /nfs/dbraw/zinc/81/66/58/653816658.db2.gz DTDDJUDSWPNYKD-UHFFFAOYSA-N 1 2 384.173 2.391 20 0 GEADLO COC(=O)[C@@H]1C[N@H+](Cn2c(=O)oc3ccc(Br)cc32)C[C@H]1C1CC1 ZINC000844764576 653817297 /nfs/dbraw/zinc/81/72/97/653817297.db2.gz KLRIDENTOAKMHC-QWHCGFSZSA-N 1 2 395.253 2.446 20 0 GEADLO COC(=O)[C@@H]1C[N@@H+](Cn2c(=O)oc3ccc(Br)cc32)C[C@H]1C1CC1 ZINC000844764576 653817300 /nfs/dbraw/zinc/81/73/00/653817300.db2.gz KLRIDENTOAKMHC-QWHCGFSZSA-N 1 2 395.253 2.446 20 0 GEADLO C[S@](=O)(=NS(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1F ZINC000866750803 653819224 /nfs/dbraw/zinc/81/92/24/653819224.db2.gz QQRXOUXJFBBKBS-LFPIHBKWSA-N 1 2 389.518 2.087 20 0 GEADLO O=S(=O)(c1oc2ccccc2c1Br)N1CC[NH2+]C[C@@H]1C(F)F ZINC000866765198 653821462 /nfs/dbraw/zinc/82/14/62/653821462.db2.gz VORATVJLRRQDRJ-SECBINFHSA-N 1 2 395.225 2.423 20 0 GEADLO C[C@H](C(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)[NH+]1CCSCC1 ZINC000883048802 653824208 /nfs/dbraw/zinc/82/42/08/653824208.db2.gz WJEAYTYGFWZXAL-BPLDGKMQSA-N 1 2 376.444 2.074 20 0 GEADLO O=C(NCC[C@@H]1CCCS1(=O)=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000883063101 653824926 /nfs/dbraw/zinc/82/49/26/653824926.db2.gz CZQMZXWSYAMCKI-LSDHHAIUSA-N 1 2 385.555 2.152 20 0 GEADLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000895324681 653827347 /nfs/dbraw/zinc/82/73/47/653827347.db2.gz RIPFZUQCPIZFKX-SNVBAGLBSA-N 1 2 377.080 2.221 20 0 GEADLO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1onc(C2CC2)c1Cl ZINC000866793865 653827363 /nfs/dbraw/zinc/82/73/63/653827363.db2.gz SSUFWHFEMACFAN-CYBMUJFWSA-N 1 2 389.905 2.127 20 0 GEADLO Cn1nc2c(c1C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)CSCC2 ZINC000883107261 653827643 /nfs/dbraw/zinc/82/76/43/653827643.db2.gz SIVCKSJRLIYFNM-OAHLLOKOSA-N 1 2 395.326 2.288 20 0 GEADLO COc1cc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)cc(Br)c1OC(F)F ZINC000895332675 653828260 /nfs/dbraw/zinc/82/82/60/653828260.db2.gz YKUSFYXRYJCEKX-ZUZCIYMTSA-N 1 2 396.228 2.377 20 0 GEADLO COc1cc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)cc(Br)c1OC(F)F ZINC000895332675 653828262 /nfs/dbraw/zinc/82/82/62/653828262.db2.gz YKUSFYXRYJCEKX-ZUZCIYMTSA-N 1 2 396.228 2.377 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1cscc1Br ZINC000883118444 653829101 /nfs/dbraw/zinc/82/91/01/653829101.db2.gz WUMUKWVHZSSCOX-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO C[C@]1(CCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@@]1(F)Cl ZINC000844913395 653829043 /nfs/dbraw/zinc/82/90/43/653829043.db2.gz VUXDPNNISXOPPD-JYJNAYRXSA-N 1 2 379.929 2.198 20 0 GEADLO O=C(Nc1cnc(Cl)c(Br)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000822594776 653833198 /nfs/dbraw/zinc/83/31/98/653833198.db2.gz UVCPFDNCSIHRMY-LLVKDONJSA-N 1 2 389.681 2.436 20 0 GEADLO Cc1nc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)sc1C1N=NC(=S)N1C ZINC000822647008 653835160 /nfs/dbraw/zinc/83/51/60/653835160.db2.gz QFMGHKWBRCZETG-RKDXNWHRSA-N 1 2 375.483 2.011 20 0 GEADLO CCOC(=O)[C@@H]1C[N@H+](Cc2c3c(nn2C)CCSC3)C[C@H]1C(F)(F)F ZINC000895478238 653837402 /nfs/dbraw/zinc/83/74/02/653837402.db2.gz YJOZUOGMVVRNLT-ZYHUDNBSSA-N 1 2 377.432 2.383 20 0 GEADLO CCOC(=O)[C@@H]1C[N@@H+](Cc2c3c(nn2C)CCSC3)C[C@H]1C(F)(F)F ZINC000895478238 653837406 /nfs/dbraw/zinc/83/74/06/653837406.db2.gz YJOZUOGMVVRNLT-ZYHUDNBSSA-N 1 2 377.432 2.383 20 0 GEADLO COC(=O)CC[C@H]1CCC[N@H+](Cc2c(I)cnn2C)C1 ZINC000895474126 653837427 /nfs/dbraw/zinc/83/74/27/653837427.db2.gz UREVRPLVDMBVAP-LLVKDONJSA-N 1 2 391.253 2.190 20 0 GEADLO COC(=O)CC[C@H]1CCC[N@@H+](Cc2c(I)cnn2C)C1 ZINC000895474126 653837430 /nfs/dbraw/zinc/83/74/30/653837430.db2.gz UREVRPLVDMBVAP-LLVKDONJSA-N 1 2 391.253 2.190 20 0 GEADLO CCCn1cc(C[NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000883386811 653838351 /nfs/dbraw/zinc/83/83/51/653838351.db2.gz NBUPMUYJBAVUGD-HNNXBMFYSA-N 1 2 378.274 2.494 20 0 GEADLO Cn1ncc(Br)c1C[NH2+]C[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000895507111 653838798 /nfs/dbraw/zinc/83/87/98/653838798.db2.gz BYCZWFPASAZVOZ-CYBMUJFWSA-N 1 2 391.269 2.400 20 0 GEADLO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000883446536 653840162 /nfs/dbraw/zinc/84/01/62/653840162.db2.gz GIGGOVUFHIUZGP-ZDUSSCGKSA-N 1 2 393.289 2.128 20 0 GEADLO CC[N@H+]1CC[C@H]1CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000883446536 653840165 /nfs/dbraw/zinc/84/01/65/653840165.db2.gz GIGGOVUFHIUZGP-ZDUSSCGKSA-N 1 2 393.289 2.128 20 0 GEADLO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000883446536 653840168 /nfs/dbraw/zinc/84/01/68/653840168.db2.gz GIGGOVUFHIUZGP-ZDUSSCGKSA-N 1 2 393.289 2.128 20 0 GEADLO CC[N@H+]1CC[C@H]1CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000883446536 653840171 /nfs/dbraw/zinc/84/01/71/653840171.db2.gz GIGGOVUFHIUZGP-ZDUSSCGKSA-N 1 2 393.289 2.128 20 0 GEADLO C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000895581950 653842187 /nfs/dbraw/zinc/84/21/87/653842187.db2.gz ALKQBPCBKCCGNE-GFCCVEGCSA-N 1 2 380.495 2.224 20 0 GEADLO C[N@H+]1CC[C@H](CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000895581950 653842188 /nfs/dbraw/zinc/84/21/88/653842188.db2.gz ALKQBPCBKCCGNE-GFCCVEGCSA-N 1 2 380.495 2.224 20 0 GEADLO CC(=O)N(c1nc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cs1)c1ccccc1 ZINC000895688010 653845949 /nfs/dbraw/zinc/84/59/49/653845949.db2.gz HUCMOLXLORTFCA-SAZUREKKSA-N 1 2 379.507 2.493 20 0 GEADLO COC[C@H]([NH3+])c1nc(Cc2cccc(F)c2I)no1 ZINC000822981025 653848468 /nfs/dbraw/zinc/84/84/68/653848468.db2.gz TXZLGBZYQARRME-VIFPVBQESA-N 1 2 377.157 2.050 20 0 GEADLO C[N@@H+]1CCN(c2nnc(C(F)(F)F)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000845503836 653851848 /nfs/dbraw/zinc/85/18/48/653851848.db2.gz JNHMXPGZUYBQBY-VIFPVBQESA-N 1 2 381.424 2.202 20 0 GEADLO C[N@H+]1CCN(c2nnc(C(F)(F)F)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000845503836 653851850 /nfs/dbraw/zinc/85/18/50/653851850.db2.gz JNHMXPGZUYBQBY-VIFPVBQESA-N 1 2 381.424 2.202 20 0 GEADLO OC1CC[NH+](Cc2cn(Cc3cn4cc(Cl)cc(Cl)c4n3)nn2)CC1 ZINC000883992355 653859872 /nfs/dbraw/zinc/85/98/72/653859872.db2.gz MDUZKMWDLUPBJC-UHFFFAOYSA-N 1 2 381.267 2.238 20 0 GEADLO CS(=O)(=O)c1ccccc1CCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000896017370 653861067 /nfs/dbraw/zinc/86/10/67/653861067.db2.gz XTTUDYIFFHGQKI-UHFFFAOYSA-N 1 2 378.523 2.088 20 0 GEADLO CS(=O)(=O)c1ccccc1CCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000896017370 653861071 /nfs/dbraw/zinc/86/10/71/653861071.db2.gz XTTUDYIFFHGQKI-UHFFFAOYSA-N 1 2 378.523 2.088 20 0 GEADLO Cc1[nH]nc(I)c1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000896134444 653865847 /nfs/dbraw/zinc/86/58/47/653865847.db2.gz VNCUMCOBSUOVPP-VIFPVBQESA-N 1 2 385.209 2.066 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000793238480 653871871 /nfs/dbraw/zinc/87/18/71/653871871.db2.gz OOMUFFLCZYYVLQ-OAHLLOKOSA-N 1 2 379.869 2.375 20 0 GEADLO CN(C)Cc1csc(C[NH2+]Cc2cnn3cc(Br)cnc23)n1 ZINC000896310390 653873702 /nfs/dbraw/zinc/87/37/02/653873702.db2.gz AXLZGSVSISCXFU-UHFFFAOYSA-N 1 2 381.303 2.300 20 0 GEADLO O=C(NCc1nc(C(F)(F)F)no1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000896411962 653878965 /nfs/dbraw/zinc/87/89/65/653878965.db2.gz NEBQCFAODOPFEW-UHFFFAOYSA-N 1 2 375.376 2.177 20 0 GEADLO C[N@H+](Cn1nccc1-c1ccc(F)c(Cl)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793569368 653880313 /nfs/dbraw/zinc/88/03/13/653880313.db2.gz PSCHMWAQSKWODV-ZDUSSCGKSA-N 1 2 386.880 2.266 20 0 GEADLO C[N@@H+](Cn1nccc1-c1ccc(F)c(Cl)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793569368 653880314 /nfs/dbraw/zinc/88/03/14/653880314.db2.gz PSCHMWAQSKWODV-ZDUSSCGKSA-N 1 2 386.880 2.266 20 0 GEADLO Cc1nonc1CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000846127684 653888053 /nfs/dbraw/zinc/88/80/53/653888053.db2.gz ZLRYTEPBVBHLEX-UHFFFAOYSA-N 1 2 394.229 2.202 20 0 GEADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H](O)c1ccccc1Br ZINC000846252796 653893467 /nfs/dbraw/zinc/89/34/67/653893467.db2.gz DFTCRKQEEJUOJU-OAHLLOKOSA-N 1 2 378.270 2.374 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000867231521 653899271 /nfs/dbraw/zinc/89/92/71/653899271.db2.gz YOMGIEXDQYMEOD-AWEZNQCLSA-N 1 2 388.559 2.151 20 0 GEADLO Cc1[nH]c(CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)[nH+]c1C ZINC000896919583 653899376 /nfs/dbraw/zinc/89/93/76/653899376.db2.gz SUTYFUPOVHNMSB-UHFFFAOYSA-N 1 2 382.873 2.150 20 0 GEADLO Cc1c(Br)cc(-c2noc(C[N@H+](C)[C@@H]3CCSC3)n2)c(=O)n1C ZINC000896999130 653902919 /nfs/dbraw/zinc/90/29/19/653902919.db2.gz HYGKXRDTYSLUMH-SNVBAGLBSA-N 1 2 399.314 2.444 20 0 GEADLO Cc1c(Br)cc(-c2noc(C[N@@H+](C)[C@@H]3CCSC3)n2)c(=O)n1C ZINC000896999130 653902922 /nfs/dbraw/zinc/90/29/22/653902922.db2.gz HYGKXRDTYSLUMH-SNVBAGLBSA-N 1 2 399.314 2.444 20 0 GEADLO CC(C)(C)OC(=O)NCC[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)C(F)F ZINC000824677865 653905019 /nfs/dbraw/zinc/90/50/19/653905019.db2.gz KIFTUDHCLIORFX-AVGNSLFASA-N 1 2 384.489 2.480 20 0 GEADLO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2c(F)c(Cl)ccc2Br)C1 ZINC000897052977 653905091 /nfs/dbraw/zinc/90/50/91/653905091.db2.gz PHODURMXLTVAPH-QMMMGPOBSA-N 1 2 385.686 2.352 20 0 GEADLO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2c(F)c(Cl)ccc2Br)C1 ZINC000897052977 653905093 /nfs/dbraw/zinc/90/50/93/653905093.db2.gz PHODURMXLTVAPH-QMMMGPOBSA-N 1 2 385.686 2.352 20 0 GEADLO Cn1nc(Br)cc1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824838608 653909884 /nfs/dbraw/zinc/90/98/84/653909884.db2.gz PTWHRTXBVGMQNI-VHSXEESVSA-N 1 2 395.223 2.025 20 0 GEADLO Cn1nc(Br)cc1C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824838608 653909887 /nfs/dbraw/zinc/90/98/87/653909887.db2.gz PTWHRTXBVGMQNI-VHSXEESVSA-N 1 2 395.223 2.025 20 0 GEADLO CCN1C[C@@H](C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)OC1=O ZINC000846818965 653910637 /nfs/dbraw/zinc/91/06/37/653910637.db2.gz UGGRTYWQOOXFID-MRXNPFEDSA-N 1 2 382.302 2.407 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000867374139 653924702 /nfs/dbraw/zinc/92/47/02/653924702.db2.gz VZLDSMRCTZWPEE-UHFFFAOYSA-N 1 2 393.497 2.088 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc4c(cc3Br)OCCCO4)C[C@@H]21 ZINC000794964739 653925454 /nfs/dbraw/zinc/92/54/54/653925454.db2.gz STJHADFBZGCYNB-ATCWAGBWSA-N 1 2 382.254 2.461 20 0 GEADLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc4c(cc3Br)OCCCO4)C[C@@H]21 ZINC000794964739 653925456 /nfs/dbraw/zinc/92/54/56/653925456.db2.gz STJHADFBZGCYNB-ATCWAGBWSA-N 1 2 382.254 2.461 20 0 GEADLO CC1CC[NH+](CCNC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000847342742 653925502 /nfs/dbraw/zinc/92/55/02/653925502.db2.gz MBEHIXBUQSORKB-UHFFFAOYSA-N 1 2 378.416 2.442 20 0 GEADLO C[C@@H](CNC(=O)c1ccccc1S(=O)(=O)C(F)(F)F)Cn1cc[nH+]c1 ZINC000847513336 653931822 /nfs/dbraw/zinc/93/18/22/653931822.db2.gz JGUDFEAIVICKQG-NSHDSACASA-N 1 2 375.372 2.243 20 0 GEADLO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)N[C@@H]1CCn2c[nH+]cc21 ZINC000825512457 653931911 /nfs/dbraw/zinc/93/19/11/653931911.db2.gz FFPIESZHABGGTI-DGCLKSJQSA-N 1 2 375.226 2.333 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000867433203 653932221 /nfs/dbraw/zinc/93/22/21/653932221.db2.gz MYRZATCYTPHVDV-BNOWGMLFSA-N 1 2 378.416 2.300 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NCC[NH+]2CCC(OC)CC2)c1 ZINC000795133226 653933470 /nfs/dbraw/zinc/93/34/70/653933470.db2.gz AKDMBOZBBKGHHA-UHFFFAOYSA-N 1 2 388.917 2.322 20 0 GEADLO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000885459615 653933517 /nfs/dbraw/zinc/93/35/17/653933517.db2.gz LEMIFDZSASSHNP-USGALAMMSA-N 1 2 377.576 2.220 20 0 GEADLO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000885459615 653933519 /nfs/dbraw/zinc/93/35/19/653933519.db2.gz LEMIFDZSASSHNP-USGALAMMSA-N 1 2 377.576 2.220 20 0 GEADLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000847568106 653935120 /nfs/dbraw/zinc/93/51/20/653935120.db2.gz VXAYJAGDBXYQIW-GXFFZTMASA-N 1 2 376.400 2.193 20 0 GEADLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000847568106 653935121 /nfs/dbraw/zinc/93/51/21/653935121.db2.gz VXAYJAGDBXYQIW-GXFFZTMASA-N 1 2 376.400 2.193 20 0 GEADLO Cc1nc(N2CCN(C(=O)c3nc(F)ccc3Br)CC2)cc[nH+]1 ZINC000847732992 653943129 /nfs/dbraw/zinc/94/31/29/653943129.db2.gz FARXZUMITKZJNJ-UHFFFAOYSA-N 1 2 380.221 2.044 20 0 GEADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H](O)c2ccccc2Br)[nH]n1 ZINC000897942191 653945381 /nfs/dbraw/zinc/94/53/81/653945381.db2.gz GJKBISOCCOWJBX-JKSUJKDBSA-N 1 2 393.285 2.402 20 0 GEADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H](O)c2ccccc2Br)[nH]n1 ZINC000897942191 653945386 /nfs/dbraw/zinc/94/53/86/653945386.db2.gz GJKBISOCCOWJBX-JKSUJKDBSA-N 1 2 393.285 2.402 20 0 GEADLO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+]Cc1nc2c(s1)CCC2 ZINC000897976547 653946678 /nfs/dbraw/zinc/94/66/78/653946678.db2.gz BDUSDWQEFZJNNB-LLVKDONJSA-N 1 2 379.283 2.442 20 0 GEADLO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897978962 653947955 /nfs/dbraw/zinc/94/79/55/653947955.db2.gz VEEZUSGMRZGVCO-LLVKDONJSA-N 1 2 384.665 2.192 20 0 GEADLO COc1nccc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)c1F ZINC000897979310 653948269 /nfs/dbraw/zinc/94/82/69/653948269.db2.gz ZWBDVKMDVGJKQS-NSHDSACASA-N 1 2 381.205 2.040 20 0 GEADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000848025649 653955796 /nfs/dbraw/zinc/95/57/96/653955796.db2.gz YPZUOMNYDRGUSI-SNVBAGLBSA-N 1 2 399.314 2.318 20 0 GEADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000848025649 653955802 /nfs/dbraw/zinc/95/58/02/653955802.db2.gz YPZUOMNYDRGUSI-SNVBAGLBSA-N 1 2 399.314 2.318 20 0 GEADLO CC(C)(O)C[NH+]1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000826674043 653956981 /nfs/dbraw/zinc/95/69/81/653956981.db2.gz PQNRGNBFUSQVHB-UHFFFAOYSA-N 1 2 391.256 2.456 20 0 GEADLO C[C@@](CO)([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1cccc(Br)c1 ZINC000898168603 653957026 /nfs/dbraw/zinc/95/70/26/653957026.db2.gz KJRQFHZVJCMZFQ-SJORKVTESA-N 1 2 395.301 2.217 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1c(Br)nc2n1CCOC2 ZINC000826682878 653957562 /nfs/dbraw/zinc/95/75/62/653957562.db2.gz QZZUQMFZLYCJQS-ZDUSSCGKSA-N 1 2 391.269 2.092 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1c(Br)nc2n1CCOC2 ZINC000826682878 653957563 /nfs/dbraw/zinc/95/75/63/653957563.db2.gz QZZUQMFZLYCJQS-ZDUSSCGKSA-N 1 2 391.269 2.092 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1c(Br)nc2n1CCOC2 ZINC000826682877 653957710 /nfs/dbraw/zinc/95/77/10/653957710.db2.gz QZZUQMFZLYCJQS-CYBMUJFWSA-N 1 2 391.269 2.092 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1c(Br)nc2n1CCOC2 ZINC000826682877 653957712 /nfs/dbraw/zinc/95/77/12/653957712.db2.gz QZZUQMFZLYCJQS-CYBMUJFWSA-N 1 2 391.269 2.092 20 0 GEADLO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(Br)cc(F)c1O ZINC000885893175 653962690 /nfs/dbraw/zinc/96/26/90/653962690.db2.gz LIADXRKQPMISSI-GFCCVEGCSA-N 1 2 387.249 2.277 20 0 GEADLO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cc(Br)cc(F)c1O ZINC000885893175 653962694 /nfs/dbraw/zinc/96/26/94/653962694.db2.gz LIADXRKQPMISSI-GFCCVEGCSA-N 1 2 387.249 2.277 20 0 GEADLO CO[C@H](C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000795751307 653965092 /nfs/dbraw/zinc/96/50/92/653965092.db2.gz ONHJFPZGMPMJDQ-BZNIZROVSA-N 1 2 384.274 2.140 20 0 GEADLO CO[C@H](C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000795751307 653965093 /nfs/dbraw/zinc/96/50/93/653965093.db2.gz ONHJFPZGMPMJDQ-BZNIZROVSA-N 1 2 384.274 2.140 20 0 GEADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(Cn3ncsc3=S)C2)CC1 ZINC000795748859 653965101 /nfs/dbraw/zinc/96/51/01/653965101.db2.gz ZBUSKAPJNPQNSL-ZDUSSCGKSA-N 1 2 385.559 2.259 20 0 GEADLO C[C@@H]1CCN(C(=O)NCc2ncc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000898391540 653967494 /nfs/dbraw/zinc/96/74/94/653967494.db2.gz ASRJYIQPCDBQEK-DGCLKSJQSA-N 1 2 379.262 2.228 20 0 GEADLO Cc1ccc(O[C@@H](C)C(=O)N[C@H](CO)c2c[nH+]cn2C)c(Br)c1 ZINC000898883495 653990724 /nfs/dbraw/zinc/99/07/24/653990724.db2.gz JWCYOHBPZGMYPA-WCQYABFASA-N 1 2 382.258 2.108 20 0 GEADLO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898887711 653990947 /nfs/dbraw/zinc/99/09/47/653990947.db2.gz MYAJKPQEQNWENS-HZMBPMFUSA-N 1 2 384.249 2.350 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000898888225 653991008 /nfs/dbraw/zinc/99/10/08/653991008.db2.gz IKPJTCGJLVVJAM-ZDUSSCGKSA-N 1 2 377.242 2.056 20 0 GEADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000898888089 653991075 /nfs/dbraw/zinc/99/10/75/653991075.db2.gz NMWGCMHTOBUTJF-AWEZNQCLSA-N 1 2 377.242 2.056 20 0 GEADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000898892159 653991425 /nfs/dbraw/zinc/99/14/25/653991425.db2.gz NYYZIJQLVBLPPZ-OAHLLOKOSA-N 1 2 393.285 2.246 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000796209795 653991987 /nfs/dbraw/zinc/99/19/87/653991987.db2.gz ZRJIIOLCZTVDNW-OKILXGFUSA-N 1 2 394.269 2.425 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000796209795 653991990 /nfs/dbraw/zinc/99/19/90/653991990.db2.gz ZRJIIOLCZTVDNW-OKILXGFUSA-N 1 2 394.269 2.425 20 0 GEADLO Cc1c(Cl)c(C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)sc1S(N)(=O)=O ZINC000886597969 653993083 /nfs/dbraw/zinc/99/30/83/653993083.db2.gz QMWYHDPYLSZFNN-LLVKDONJSA-N 1 2 393.962 2.160 20 0 GEADLO Cc1c(Cl)c(C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)sc1S(N)(=O)=O ZINC000886597969 653993084 /nfs/dbraw/zinc/99/30/84/653993084.db2.gz QMWYHDPYLSZFNN-LLVKDONJSA-N 1 2 393.962 2.160 20 0 GEADLO C[C@]1(Cc2cccc(Br)c2)CCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000886640050 653993888 /nfs/dbraw/zinc/99/38/88/653993888.db2.gz QGCUIBJXKKQRAU-MRXNPFEDSA-N 1 2 377.290 2.396 20 0 GEADLO C[C@]1(Cc2cccc(Br)c2)CCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000886640050 653993892 /nfs/dbraw/zinc/99/38/92/653993892.db2.gz QGCUIBJXKKQRAU-MRXNPFEDSA-N 1 2 377.290 2.396 20 0 GEADLO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)nn1 ZINC000886703048 653995255 /nfs/dbraw/zinc/99/52/55/653995255.db2.gz KPMIOLIZKZCTLM-LBPRGKRZSA-N 1 2 393.289 2.306 20 0 GEADLO CCn1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)nn1 ZINC000886703048 653995257 /nfs/dbraw/zinc/99/52/57/653995257.db2.gz KPMIOLIZKZCTLM-LBPRGKRZSA-N 1 2 393.289 2.306 20 0 GEADLO COc1ncc(Br)cc1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000899135786 654001035 /nfs/dbraw/zinc/00/10/35/654001035.db2.gz JYZZOAQHQOEUJI-CQSZACIVSA-N 1 2 394.273 2.273 20 0 GEADLO COc1ncc(Br)cc1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000899135786 654001040 /nfs/dbraw/zinc/00/10/40/654001040.db2.gz JYZZOAQHQOEUJI-CQSZACIVSA-N 1 2 394.273 2.273 20 0 GEADLO CCOC(=O)CS[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(F)(F)F ZINC000899183533 654003254 /nfs/dbraw/zinc/00/32/54/654003254.db2.gz JEFBMTSJQCOJBC-LLVKDONJSA-N 1 2 381.420 2.270 20 0 GEADLO O=C(NC1(c2ncc(Br)cn2)CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000886840959 654004684 /nfs/dbraw/zinc/00/46/84/654004684.db2.gz XOEMMFPAIDBBJX-LLVKDONJSA-N 1 2 376.258 2.194 20 0 GEADLO Cn1c[nH+]cc1COC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796740124 654006723 /nfs/dbraw/zinc/00/67/23/654006723.db2.gz QHPLDLBRJVRWRW-UHFFFAOYSA-N 1 2 377.344 2.167 20 0 GEADLO O=C(c1cc(Br)cnc1C1CC1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000827911567 654012833 /nfs/dbraw/zinc/01/28/33/654012833.db2.gz TYZLZHXWVQCGKA-CQSZACIVSA-N 1 2 376.258 2.231 20 0 GEADLO O=C(N[C@H]1COc2cccc(Br)c2C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000828026630 654016497 /nfs/dbraw/zinc/01/64/97/654016497.db2.gz FNMIGGSUXDRGGX-NWDGAFQWSA-N 1 2 376.254 2.328 20 0 GEADLO O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000868066843 654016709 /nfs/dbraw/zinc/01/67/09/654016709.db2.gz QABMQNAEWFJIIZ-ZSQCLPQSSA-N 1 2 381.270 2.277 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000868082178 654017520 /nfs/dbraw/zinc/01/75/20/654017520.db2.gz ATIDSPSBKMCXMP-VSZDKKFSSA-N 1 2 385.233 2.026 20 0 GEADLO COC[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000828104690 654021959 /nfs/dbraw/zinc/02/19/59/654021959.db2.gz ACCWEYWGBMQUOO-UYZDIKGJSA-N 1 2 383.286 2.141 20 0 GEADLO CC(C)(C)n1ncc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1Br ZINC000828955320 654055928 /nfs/dbraw/zinc/05/59/28/654055928.db2.gz GXWKXGBSGQOUNW-ZDUSSCGKSA-N 1 2 399.333 2.337 20 0 GEADLO O=C(c1cc(=O)[nH]cc1Br)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000828981181 654056882 /nfs/dbraw/zinc/05/68/82/654056882.db2.gz VYPHZKPLGGYWQP-AWEZNQCLSA-N 1 2 380.217 2.476 20 0 GEADLO C[C@H](O)CC[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000829120673 654060254 /nfs/dbraw/zinc/06/02/54/654060254.db2.gz KWKYTDUUDUKXPG-LBPRGKRZSA-N 1 2 394.331 2.075 20 0 GEADLO C[C@H](O)CC[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000829120673 654060257 /nfs/dbraw/zinc/06/02/57/654060257.db2.gz KWKYTDUUDUKXPG-LBPRGKRZSA-N 1 2 394.331 2.075 20 0 GEADLO NC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000798439367 654062968 /nfs/dbraw/zinc/06/29/68/654062968.db2.gz OMJMBBVSECPWFU-UHFFFAOYSA-N 1 2 377.809 2.392 20 0 GEADLO O=C(C[N@H+]1CCCN(C(=O)c2ccnc(Cl)c2Cl)CC1)N1CCCC1 ZINC000900685335 654076504 /nfs/dbraw/zinc/07/65/04/654076504.db2.gz RQCCWBWWWJFHCD-UHFFFAOYSA-N 1 2 385.295 2.159 20 0 GEADLO O=C(C[N@@H+]1CCCN(C(=O)c2ccnc(Cl)c2Cl)CC1)N1CCCC1 ZINC000900685335 654076508 /nfs/dbraw/zinc/07/65/08/654076508.db2.gz RQCCWBWWWJFHCD-UHFFFAOYSA-N 1 2 385.295 2.159 20 0 GEADLO C[C@H](CNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)Cn1cc[nH+]c1 ZINC000900787512 654080448 /nfs/dbraw/zinc/08/04/48/654080448.db2.gz LUULXGKVSWQSJE-IAQYHMDHSA-N 1 2 392.253 2.180 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000900797296 654080869 /nfs/dbraw/zinc/08/08/69/654080869.db2.gz TUHXWDKXYFXJOB-JTQLQIEISA-N 1 2 379.404 2.053 20 0 GEADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000900797296 654080872 /nfs/dbraw/zinc/08/08/72/654080872.db2.gz TUHXWDKXYFXJOB-JTQLQIEISA-N 1 2 379.404 2.053 20 0 GEADLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869250638 654081398 /nfs/dbraw/zinc/08/13/98/654081398.db2.gz IMLMFLLEWJAUTB-ONERCXAPSA-N 1 2 380.242 2.194 20 0 GEADLO C[C@@H](NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900809898 654082034 /nfs/dbraw/zinc/08/20/34/654082034.db2.gz FIQUJIYUBWGZGY-MFKMUULPSA-N 1 2 378.826 2.047 20 0 GEADLO C[C@@H](NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900809898 654082040 /nfs/dbraw/zinc/08/20/40/654082040.db2.gz FIQUJIYUBWGZGY-MFKMUULPSA-N 1 2 378.826 2.047 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000829861946 654082339 /nfs/dbraw/zinc/08/23/39/654082339.db2.gz ACJRWNBMGLFGHR-PWSUYJOCSA-N 1 2 376.400 2.335 20 0 GEADLO C[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000829861946 654082340 /nfs/dbraw/zinc/08/23/40/654082340.db2.gz ACJRWNBMGLFGHR-PWSUYJOCSA-N 1 2 376.400 2.335 20 0 GEADLO O=C1OCCN1CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000799189034 654087885 /nfs/dbraw/zinc/08/78/85/654087885.db2.gz FVCOXDNCZMKKHP-UHFFFAOYSA-N 1 2 386.265 2.158 20 0 GEADLO O=S(=O)(NCC[NH2+]Cc1occc1Br)c1ccc(F)cc1F ZINC000799345399 654092981 /nfs/dbraw/zinc/09/29/81/654092981.db2.gz AJCXXEBRWVNSKZ-UHFFFAOYSA-N 1 2 395.225 2.388 20 0 GEADLO Cc1c[nH]nc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000799425585 654095898 /nfs/dbraw/zinc/09/58/98/654095898.db2.gz MWDZLDDPKDDNHD-UHFFFAOYSA-N 1 2 378.274 2.485 20 0 GEADLO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000916452476 654095993 /nfs/dbraw/zinc/09/59/93/654095993.db2.gz BKRQQFIMCJFDAA-FNODVLLQSA-N 1 2 399.460 2.304 20 0 GEADLO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000916452476 654095995 /nfs/dbraw/zinc/09/59/95/654095995.db2.gz BKRQQFIMCJFDAA-FNODVLLQSA-N 1 2 399.460 2.304 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1c(Cl)cccc1C(F)(F)F ZINC000900986084 654100932 /nfs/dbraw/zinc/10/09/32/654100932.db2.gz YVPNAFLQTVMIRB-LLVKDONJSA-N 1 2 380.794 2.124 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)C3CC(C)(O)C3)cc2Br)CC1 ZINC000830139056 654100928 /nfs/dbraw/zinc/10/09/28/654100928.db2.gz LVVIQLCQQKOPBD-UHFFFAOYSA-N 1 2 382.302 2.300 20 0 GEADLO COCC[N@H+](CC(=O)N1CCO[C@H](C)C1)Cc1cc(Br)cs1 ZINC000917151504 654114502 /nfs/dbraw/zinc/11/45/02/654114502.db2.gz QBOOGNATGBLCSP-GFCCVEGCSA-N 1 2 391.331 2.206 20 0 GEADLO COCC[N@@H+](CC(=O)N1CCO[C@H](C)C1)Cc1cc(Br)cs1 ZINC000917151504 654114508 /nfs/dbraw/zinc/11/45/08/654114508.db2.gz QBOOGNATGBLCSP-GFCCVEGCSA-N 1 2 391.331 2.206 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)/C=C/c2ccc(I)o2)CCO1 ZINC000800085012 654128376 /nfs/dbraw/zinc/12/83/76/654128376.db2.gz SFKMJOQULSSVCH-JOAKQRRISA-N 1 2 391.205 2.161 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)/C=C/c2ccc(I)o2)CCO1 ZINC000800085012 654128380 /nfs/dbraw/zinc/12/83/80/654128380.db2.gz SFKMJOQULSSVCH-JOAKQRRISA-N 1 2 391.205 2.161 20 0 GEADLO C[C@@H]1C[N@H+](CCOC(=O)Cc2ccc(I)cc2)CCO1 ZINC000800214240 654137757 /nfs/dbraw/zinc/13/77/57/654137757.db2.gz HIYWYGFECYBGTF-GFCCVEGCSA-N 1 2 389.233 2.098 20 0 GEADLO C[C@@H]1C[N@@H+](CCOC(=O)Cc2ccc(I)cc2)CCO1 ZINC000800214240 654137759 /nfs/dbraw/zinc/13/77/59/654137759.db2.gz HIYWYGFECYBGTF-GFCCVEGCSA-N 1 2 389.233 2.098 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC[N@H+]1C ZINC000831020722 654156150 /nfs/dbraw/zinc/15/61/50/654156150.db2.gz UYGHFDDRBWURHP-BDAKNGLRSA-N 1 2 382.711 2.211 20 0 GEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000831020722 654156159 /nfs/dbraw/zinc/15/61/59/654156159.db2.gz UYGHFDDRBWURHP-BDAKNGLRSA-N 1 2 382.711 2.211 20 0 GEADLO CN(C)C(=O)CNC(=S)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000918720210 654159395 /nfs/dbraw/zinc/15/93/95/654159395.db2.gz YERJWIUFRUWJQQ-AWEZNQCLSA-N 1 2 386.924 2.168 20 0 GEADLO COc1cccc(N2CC[NH+](CCSC[C@@H](C)CS(C)(=O)=O)CC2)c1 ZINC000918738263 654160536 /nfs/dbraw/zinc/16/05/36/654160536.db2.gz UPVYDFUEOVMPEI-MRXNPFEDSA-N 1 2 386.583 2.231 20 0 GEADLO CC1(C)OC[C@H](CC[NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)O1 ZINC000851714342 654171733 /nfs/dbraw/zinc/17/17/33/654171733.db2.gz PHZUKYDCKFQSHL-AWEZNQCLSA-N 1 2 388.917 2.188 20 0 GEADLO C[NH+](C)C[C@@H](NC(=O)NCC[C@H]1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000889814235 654177899 /nfs/dbraw/zinc/17/78/99/654177899.db2.gz FZSNMIODKPPJMW-HZPDHXFCSA-N 1 2 387.933 2.209 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)n1 ZINC000919852815 654194202 /nfs/dbraw/zinc/19/42/02/654194202.db2.gz TWYSZICSTPZKKC-UHFFFAOYSA-N 1 2 386.474 2.024 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)Sc2nnnn2C2CC2)n1 ZINC000919852469 654194286 /nfs/dbraw/zinc/19/42/86/654194286.db2.gz LNXHYMNLAQEWCO-SNVBAGLBSA-N 1 2 381.531 2.426 20 0 GEADLO C[C@H](NS(=O)(=O)c1sc2ccccc2c1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000919982688 654197895 /nfs/dbraw/zinc/19/78/95/654197895.db2.gz VYWKDFGKAVXFGG-WCQYABFASA-N 1 2 387.958 2.467 20 0 GEADLO C[C@H](NS(=O)(=O)c1sc2ccccc2c1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000919982688 654197897 /nfs/dbraw/zinc/19/78/97/654197897.db2.gz VYWKDFGKAVXFGG-WCQYABFASA-N 1 2 387.958 2.467 20 0 GEADLO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@]1(F)CCS(=O)(=O)C1 ZINC000902991771 654208037 /nfs/dbraw/zinc/20/80/37/654208037.db2.gz AUQKWCXHVZCHNO-QGZVFWFLSA-N 1 2 386.514 2.009 20 0 GEADLO C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000870942660 654210891 /nfs/dbraw/zinc/21/08/91/654210891.db2.gz RISJNWGEYODWEZ-KDOFPFPSSA-N 1 2 392.297 2.318 20 0 GEADLO O=C(C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1)Nc1ccc(Cl)nc1 ZINC000852007359 654212496 /nfs/dbraw/zinc/21/24/96/654212496.db2.gz MKWSEGWTJPASLX-UHFFFAOYSA-N 1 2 378.782 2.064 20 0 GEADLO Brc1ccc(-c2nnc(C[NH2+][C@H]3CCO[C@]34CCOC4)[nH]2)cc1 ZINC000903125882 654218932 /nfs/dbraw/zinc/21/89/32/654218932.db2.gz PDHYRDAMCJEXKS-BBRMVZONSA-N 1 2 379.258 2.272 20 0 GEADLO Brc1ccc(-c2n[nH]c(C[NH2+][C@H]3CCO[C@]34CCOC4)n2)cc1 ZINC000903125882 654218937 /nfs/dbraw/zinc/21/89/37/654218937.db2.gz PDHYRDAMCJEXKS-BBRMVZONSA-N 1 2 379.258 2.272 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000903208379 654227106 /nfs/dbraw/zinc/22/71/06/654227106.db2.gz JXCYBHWMSPAUFQ-NSHDSACASA-N 1 2 393.292 2.249 20 0 GEADLO C[C@@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1cc2n(n1)CCC2 ZINC000903326496 654234118 /nfs/dbraw/zinc/23/41/18/654234118.db2.gz QUEOKFVOKUTYNP-OTYXRUKQSA-N 1 2 376.258 2.201 20 0 GEADLO CN(C)c1nc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c(Cl)n1-c1ccccc1 ZINC000802647525 654235053 /nfs/dbraw/zinc/23/50/53/654235053.db2.gz NCIDHMGZYATXDQ-AWEZNQCLSA-N 1 2 382.917 2.259 20 0 GEADLO COc1ccc(S(=O)(=O)NCc2nc(C[NH+](C)C)cs2)cc1Cl ZINC000921105490 654236238 /nfs/dbraw/zinc/23/62/38/654236238.db2.gz TVNJQSPWLXHHTE-UHFFFAOYSA-N 1 2 375.903 2.345 20 0 GEADLO Cc1cccn2cc(CCNC(=O)NCc3cnc(Br)cn3)[nH+]c12 ZINC000921169618 654237622 /nfs/dbraw/zinc/23/76/22/654237622.db2.gz CNDPOKZKZXKKEK-UHFFFAOYSA-N 1 2 389.257 2.237 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000852495435 654244767 /nfs/dbraw/zinc/24/47/67/654244767.db2.gz KXBMNQSZQPDPHZ-NHYWBVRUSA-N 1 2 381.270 2.336 20 0 GEADLO COC(=O)c1ccc(Br)cc1C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000852495435 654244772 /nfs/dbraw/zinc/24/47/72/654244772.db2.gz KXBMNQSZQPDPHZ-NHYWBVRUSA-N 1 2 381.270 2.336 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c(Cl)ccnc1Cl ZINC000921322862 654248167 /nfs/dbraw/zinc/24/81/67/654248167.db2.gz YUTMSDLHRTUOKG-MNOVXSKESA-N 1 2 382.338 2.247 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1c(Cl)ccnc1Cl ZINC000921322862 654248175 /nfs/dbraw/zinc/24/81/75/654248175.db2.gz YUTMSDLHRTUOKG-MNOVXSKESA-N 1 2 382.338 2.247 20 0 GEADLO C[NH+]1CCN(c2nc3ccc(NS(=O)(=O)c4ccoc4)cc3s2)CC1 ZINC000903652895 654273168 /nfs/dbraw/zinc/27/31/68/654273168.db2.gz YXXYNVVDWQUWTL-UHFFFAOYSA-N 1 2 378.479 2.442 20 0 GEADLO C[C@H]([NH2+]Cc1c(I)cnn1C)C(=O)Nc1ccccc1 ZINC000871931174 654283523 /nfs/dbraw/zinc/28/35/23/654283523.db2.gz FRFMKMOTEOAJHJ-JTQLQIEISA-N 1 2 384.221 2.142 20 0 GEADLO C[C@@H](CC(=O)N[C@@H](CO)c1ccccc1I)n1cc[nH+]c1 ZINC000891321806 654283778 /nfs/dbraw/zinc/28/37/78/654283778.db2.gz KDKOUSUZCWQGQA-FZMZJTMJSA-N 1 2 399.232 2.289 20 0 GEADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000832679278 654286871 /nfs/dbraw/zinc/28/68/71/654286871.db2.gz DDFIQYCABXSSIB-GWCFXTLKSA-N 1 2 395.305 2.009 20 0 GEADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000832679278 654286872 /nfs/dbraw/zinc/28/68/72/654286872.db2.gz DDFIQYCABXSSIB-GWCFXTLKSA-N 1 2 395.305 2.009 20 0 GEADLO C[N@@H+]1CCN(C(=O)CSc2n[nH]c(=S)s2)C[C@@H]1Cc1ccccc1 ZINC000803729984 654288866 /nfs/dbraw/zinc/28/88/66/654288866.db2.gz VVPOTHYHEZABNT-ZDUSSCGKSA-N 1 2 380.564 2.304 20 0 GEADLO C[N@H+]1CCN(C(=O)CSc2n[nH]c(=S)s2)C[C@@H]1Cc1ccccc1 ZINC000803729984 654288871 /nfs/dbraw/zinc/28/88/71/654288871.db2.gz VVPOTHYHEZABNT-ZDUSSCGKSA-N 1 2 380.564 2.304 20 0 GEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cn2ccc(Br)cc2n1 ZINC000803944188 654297578 /nfs/dbraw/zinc/29/75/78/654297578.db2.gz HRMLYGXZIXVXBK-BETUJISGSA-N 1 2 380.242 2.117 20 0 GEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cn2ccc(Br)cc2n1 ZINC000803944188 654297582 /nfs/dbraw/zinc/29/75/82/654297582.db2.gz HRMLYGXZIXVXBK-BETUJISGSA-N 1 2 380.242 2.117 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000853524156 654300532 /nfs/dbraw/zinc/30/05/32/654300532.db2.gz KIUIIEGTYSPDGO-SNVBAGLBSA-N 1 2 396.220 2.067 20 0 GEADLO O=c1oc2cc(Br)c(F)cc2n1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000853524156 654300537 /nfs/dbraw/zinc/30/05/37/654300537.db2.gz KIUIIEGTYSPDGO-SNVBAGLBSA-N 1 2 396.220 2.067 20 0 GEADLO CCC[N@H+](C)[C@@H](CNC(=O)C[C@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000804127823 654301191 /nfs/dbraw/zinc/30/11/91/654301191.db2.gz BAZBPHBTUBLTGU-UONOGXRCSA-N 1 2 382.917 2.396 20 0 GEADLO CCC[N@@H+](C)[C@@H](CNC(=O)C[C@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000804127823 654301195 /nfs/dbraw/zinc/30/11/95/654301195.db2.gz BAZBPHBTUBLTGU-UONOGXRCSA-N 1 2 382.917 2.396 20 0 GEADLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CCc1ccc(Br)cc1F ZINC000804161771 654301766 /nfs/dbraw/zinc/30/17/66/654301766.db2.gz NZZODHOQGDDDOP-ZDUSSCGKSA-N 1 2 381.205 2.017 20 0 GEADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CCc1ccc(Br)cc1F ZINC000804161771 654301769 /nfs/dbraw/zinc/30/17/69/654301769.db2.gz NZZODHOQGDDDOP-ZDUSSCGKSA-N 1 2 381.205 2.017 20 0 GEADLO O=C([C@H]1CSC(=O)N1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804268329 654303779 /nfs/dbraw/zinc/30/37/79/654303779.db2.gz CWZJWKFKHAUJFR-LLVKDONJSA-N 1 2 399.270 2.092 20 0 GEADLO C[N@H+](C[C@H]1COCCO1)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000853560760 654303877 /nfs/dbraw/zinc/30/38/77/654303877.db2.gz YFDUQAXTEJIFTE-HOTGVXAUSA-N 1 2 383.286 2.070 20 0 GEADLO C[N@@H+](C[C@H]1COCCO1)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000853560760 654303887 /nfs/dbraw/zinc/30/38/87/654303887.db2.gz YFDUQAXTEJIFTE-HOTGVXAUSA-N 1 2 383.286 2.070 20 0 GEADLO Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+](C)C[C@H]1COCCO1 ZINC000853559209 654303951 /nfs/dbraw/zinc/30/39/51/654303951.db2.gz YAVUQSQWTOFPRH-HNNXBMFYSA-N 1 2 381.274 2.321 20 0 GEADLO Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+](C)C[C@H]1COCCO1 ZINC000853559209 654303955 /nfs/dbraw/zinc/30/39/55/654303955.db2.gz YAVUQSQWTOFPRH-HNNXBMFYSA-N 1 2 381.274 2.321 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000853605777 654309365 /nfs/dbraw/zinc/30/93/65/654309365.db2.gz IPYJVPHAUOZPAH-XHDPSFHLSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000853605777 654309373 /nfs/dbraw/zinc/30/93/73/654309373.db2.gz IPYJVPHAUOZPAH-XHDPSFHLSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000853605776 654309457 /nfs/dbraw/zinc/30/94/57/654309457.db2.gz IPYJVPHAUOZPAH-NHYWBVRUSA-N 1 2 376.284 2.047 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000853605776 654309463 /nfs/dbraw/zinc/30/94/63/654309463.db2.gz IPYJVPHAUOZPAH-NHYWBVRUSA-N 1 2 376.284 2.047 20 0 GEADLO C[N@H+](Cc1ncc(Br)cc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000892041602 654326423 /nfs/dbraw/zinc/32/64/23/654326423.db2.gz JVJMVQVLTUTIIM-SNVBAGLBSA-N 1 2 382.180 2.145 20 0 GEADLO C[N@@H+](Cc1ncc(Br)cc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000892041602 654326426 /nfs/dbraw/zinc/32/64/26/654326426.db2.gz JVJMVQVLTUTIIM-SNVBAGLBSA-N 1 2 382.180 2.145 20 0 GEADLO CCn1c(C[N@H+](C)CCCC(=O)NC)nc(Br)c1Br ZINC000892126598 654330048 /nfs/dbraw/zinc/33/00/48/654330048.db2.gz FFKIFJWAWPIFIZ-UHFFFAOYSA-N 1 2 396.127 2.386 20 0 GEADLO CCn1c(C[N@@H+](C)CCCC(=O)NC)nc(Br)c1Br ZINC000892126598 654330059 /nfs/dbraw/zinc/33/00/59/654330059.db2.gz FFKIFJWAWPIFIZ-UHFFFAOYSA-N 1 2 396.127 2.386 20 0 GEADLO O=C1CCCc2cc(Cl)c(S(=O)(=O)NCCCn3cc[nH+]c3)cc2N1 ZINC000872430544 654332607 /nfs/dbraw/zinc/33/26/07/654332607.db2.gz VJGWEFIPTJVUFI-UHFFFAOYSA-N 1 2 382.873 2.180 20 0 GEADLO CO[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000905209492 654339355 /nfs/dbraw/zinc/33/93/55/654339355.db2.gz JPHVHFMCCCKJQC-CYBMUJFWSA-N 1 2 391.331 2.425 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000854067341 654339328 /nfs/dbraw/zinc/33/93/28/654339328.db2.gz ZDOJVLMPVSOGNH-HNNXBMFYSA-N 1 2 379.258 2.466 20 0 GEADLO C[NH+](C)[C@@H](CNC(=O)c1cc(S(C)(=O)=O)ncc1Cl)c1ccccc1 ZINC000854197945 654344684 /nfs/dbraw/zinc/34/46/84/654344684.db2.gz APDYIZQOGRLODA-HNNXBMFYSA-N 1 2 381.885 2.171 20 0 GEADLO Cc1nc(CNc2cnn(CC[NH+]3CCOCC3)c2)sc1Br ZINC000921938839 654345414 /nfs/dbraw/zinc/34/54/14/654345414.db2.gz KCWSCIMOAFVVCA-UHFFFAOYSA-N 1 2 386.319 2.355 20 0 GEADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1nc(Br)cs1 ZINC000834726511 654345448 /nfs/dbraw/zinc/34/54/48/654345448.db2.gz RGHQNRHDERYYIQ-WCABBAIRSA-N 1 2 384.303 2.484 20 0 GEADLO CC(C)(C)n1ncc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1Br ZINC000854240332 654346161 /nfs/dbraw/zinc/34/61/61/654346161.db2.gz JMSMBSPTGRVGMV-UHFFFAOYSA-N 1 2 387.322 2.241 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC[S@](=O)CC(F)(F)F)c1C ZINC000854305782 654349413 /nfs/dbraw/zinc/34/94/13/654349413.db2.gz BLDNVYANZXVKLH-VWLOTQADSA-N 1 2 381.420 2.159 20 0 GEADLO O=C(CCSc1nc2ccccc2s1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000854355316 654355369 /nfs/dbraw/zinc/35/53/69/654355369.db2.gz YYIHXCAAWAZWDM-AWEZNQCLSA-N 1 2 376.551 2.285 20 0 GEADLO O=C(CCSc1nc2ccccc2s1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000854355316 654355371 /nfs/dbraw/zinc/35/53/71/654355371.db2.gz YYIHXCAAWAZWDM-AWEZNQCLSA-N 1 2 376.551 2.285 20 0 GEADLO COC[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc(Cl)c1F ZINC000834890302 654355444 /nfs/dbraw/zinc/35/54/44/654355444.db2.gz LJFJYAZVLCUDKI-HNNXBMFYSA-N 1 2 379.881 2.350 20 0 GEADLO Cc1nc(C[NH2+][C@@H]2CCCN(c3ncc[nH]c3=O)C2)sc1Br ZINC000922030452 654357810 /nfs/dbraw/zinc/35/78/10/654357810.db2.gz ZGNULGBUTCSZQZ-SNVBAGLBSA-N 1 2 384.303 2.056 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C(F)(F)Br)nc1 ZINC000854829459 654384737 /nfs/dbraw/zinc/38/47/37/654384737.db2.gz ICDQKCZALSMXEK-TXEJJXNPSA-N 1 2 390.228 2.119 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C(F)(F)Br)nc1 ZINC000854829459 654384742 /nfs/dbraw/zinc/38/47/42/654384742.db2.gz ICDQKCZALSMXEK-TXEJJXNPSA-N 1 2 390.228 2.119 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000854940871 654390689 /nfs/dbraw/zinc/39/06/89/654390689.db2.gz KRAWDSHTUYOPGU-UHFFFAOYSA-N 1 2 392.244 2.366 20 0 GEADLO C[C@@H]1CN(C(=O)C(F)(F)c2ccc(Br)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000854955064 654390893 /nfs/dbraw/zinc/39/08/93/654390893.db2.gz PJYMTGLBHPZGEO-NEPJUHHUSA-N 1 2 391.256 2.454 20 0 GEADLO C[C@@H]1CN(C(=O)C(F)(F)c2ccc(Br)cc2)[C@@H](C)C[N@H+]1CCO ZINC000854955064 654390898 /nfs/dbraw/zinc/39/08/98/654390898.db2.gz PJYMTGLBHPZGEO-NEPJUHHUSA-N 1 2 391.256 2.454 20 0 GEADLO CO[C@@H]1C[C@H]1C(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000905957677 654394406 /nfs/dbraw/zinc/39/44/06/654394406.db2.gz GJHMTYNTBCXMKE-ZIAGYGMSSA-N 1 2 379.258 2.499 20 0 GEADLO Cc1ccc(OCc2nc(C[NH2+]C(C)(C)CNS(C)(=O)=O)cs2)cc1 ZINC000922637102 654405546 /nfs/dbraw/zinc/40/55/46/654405546.db2.gz POVWNPWMBOKCTA-UHFFFAOYSA-N 1 2 383.539 2.448 20 0 GEADLO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000922822727 654415273 /nfs/dbraw/zinc/41/52/73/654415273.db2.gz OEOQRMSOTWZSHZ-ZDUSSCGKSA-N 1 2 394.440 2.324 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(Br)ncc1Cl ZINC000855412327 654417484 /nfs/dbraw/zinc/41/74/84/654417484.db2.gz STYTVQSJKGIZFU-ZJUUUORDSA-N 1 2 376.682 2.337 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(Br)ncc1Cl ZINC000855412327 654417487 /nfs/dbraw/zinc/41/74/87/654417487.db2.gz STYTVQSJKGIZFU-ZJUUUORDSA-N 1 2 376.682 2.337 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000893946045 654432925 /nfs/dbraw/zinc/43/29/25/654432925.db2.gz KFNDEVXODROCBS-AAEUAGOBSA-N 1 2 382.473 2.186 20 0 GEADLO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000893946045 654432929 /nfs/dbraw/zinc/43/29/29/654432929.db2.gz KFNDEVXODROCBS-AAEUAGOBSA-N 1 2 382.473 2.186 20 0 GEADLO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3nc(Br)nn3C)cn2)n1 ZINC000894190183 654453599 /nfs/dbraw/zinc/45/35/99/654453599.db2.gz LFYRQRZRSZAMIO-UHFFFAOYSA-N 1 2 376.262 2.065 20 0 GEADLO CCCOc1ccc(C[NH2+]Cc2c(I)cnn2C)cn1 ZINC000894186566 654453709 /nfs/dbraw/zinc/45/37/09/654453709.db2.gz KQKIGOKYCFPPIV-UHFFFAOYSA-N 1 2 386.237 2.498 20 0 GEADLO Cn1nc(Br)nc1C[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000894223486 654457866 /nfs/dbraw/zinc/45/78/66/654457866.db2.gz AUTISLGTFVUBHI-LBPRGKRZSA-N 1 2 379.180 2.117 20 0 GEADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)C[C@@H]2CSCCS2)C1 ZINC000856329009 654476873 /nfs/dbraw/zinc/47/68/73/654476873.db2.gz XAQORLAUAVGERS-ZWKOTPCHSA-N 1 2 379.595 2.158 20 0 GEADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)C[C@@H]2CSCCS2)C1 ZINC000856329009 654476877 /nfs/dbraw/zinc/47/68/77/654476877.db2.gz XAQORLAUAVGERS-ZWKOTPCHSA-N 1 2 379.595 2.158 20 0 GEADLO Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3nc(Br)nn3C)C2=O)c(C)c1 ZINC000894540758 654484504 /nfs/dbraw/zinc/48/45/04/654484504.db2.gz NALGZWJWHQVVHC-ZDUSSCGKSA-N 1 2 392.301 2.398 20 0 GEADLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cn(C)nc2Cl)s1 ZINC000856767710 654493723 /nfs/dbraw/zinc/49/37/23/654493723.db2.gz WENQSSKBPIXVFH-UHFFFAOYSA-N 1 2 376.935 2.455 20 0 GEADLO Cn1c[nH+]cc1Cc1noc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)n1 ZINC000923962544 654494145 /nfs/dbraw/zinc/49/41/45/654494145.db2.gz ORDBTYUMXBWAOF-LBPRGKRZSA-N 1 2 388.225 2.435 20 0 GEADLO CO[C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)s1 ZINC000906975014 654494696 /nfs/dbraw/zinc/49/46/96/654494696.db2.gz JLUDFRRUDDFLOP-BXUZGUMPSA-N 1 2 389.315 2.131 20 0 GEADLO Cn1cc(Br)c(C[NH2+]C2CC(S(=O)(=O)c3ccccc3)C2)n1 ZINC000894714130 654495030 /nfs/dbraw/zinc/49/50/30/654495030.db2.gz CRJWGTCHEQGNIA-UHFFFAOYSA-N 1 2 384.299 2.277 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856845688 654497360 /nfs/dbraw/zinc/49/73/60/654497360.db2.gz RZQVHODFDQKHAO-UHFFFAOYSA-N 1 2 393.285 2.339 20 0 GEADLO Cn1cc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c(I)n1 ZINC000894785882 654499252 /nfs/dbraw/zinc/49/92/52/654499252.db2.gz CRTYRSIPQROBFB-LJQANCHMSA-N 1 2 389.262 2.052 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)n1 ZINC000924780416 654524598 /nfs/dbraw/zinc/52/45/98/654524598.db2.gz JOBZKNVIIVFOBP-LLVKDONJSA-N 1 2 380.436 2.456 20 0 GEADLO C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)C(F)(F)c1ccc(Br)cc1 ZINC000926573862 654575584 /nfs/dbraw/zinc/57/55/84/654575584.db2.gz QSTAQHCRTGJWJC-GXFFZTMASA-N 1 2 375.217 2.172 20 0 GEADLO CN1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC[N@H+](C)CC1 ZINC000907790504 654579447 /nfs/dbraw/zinc/57/94/47/654579447.db2.gz XFVQQAJHQJXNOM-UHFFFAOYSA-N 1 2 384.304 2.000 20 0 GEADLO CN1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC[N@@H+](C)CC1 ZINC000907790504 654579452 /nfs/dbraw/zinc/57/94/52/654579452.db2.gz XFVQQAJHQJXNOM-UHFFFAOYSA-N 1 2 384.304 2.000 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccn2ncc(Br)c12 ZINC000908144530 654608346 /nfs/dbraw/zinc/60/83/46/654608346.db2.gz HQNNLXRVWGWHHX-QWHCGFSZSA-N 1 2 393.285 2.032 20 0 GEADLO C[C@H](C(=O)NCc1nc(C[NH+](C)C)cs1)c1ccc(S(C)(=O)=O)cc1 ZINC000927768627 654612929 /nfs/dbraw/zinc/61/29/29/654612929.db2.gz MCBIFRMYMBSIDQ-LBPRGKRZSA-N 1 2 381.523 2.028 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2c(Br)nc3n2CCC3)n1 ZINC000927765266 654612936 /nfs/dbraw/zinc/61/29/36/654612936.db2.gz QABCCKWHCGRBST-UHFFFAOYSA-N 1 2 384.303 2.040 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2cc(Cl)ccc2-n2cncn2)n1 ZINC000927764421 654612971 /nfs/dbraw/zinc/61/29/71/654612971.db2.gz XWXGHJJDRKRDEW-UHFFFAOYSA-N 1 2 376.873 2.369 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)c2cn(-c3ccc(Cl)cc3)nn2)n1 ZINC000927771176 654613299 /nfs/dbraw/zinc/61/32/99/654613299.db2.gz HAEBXLMUUUMPKS-UHFFFAOYSA-N 1 2 376.873 2.369 20 0 GEADLO Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928097307 654630448 /nfs/dbraw/zinc/63/04/48/654630448.db2.gz ZRHJJCZHGMNJEW-OLZOCXBDSA-N 1 2 375.523 2.218 20 0 GEADLO Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928097307 654630452 /nfs/dbraw/zinc/63/04/52/654630452.db2.gz ZRHJJCZHGMNJEW-OLZOCXBDSA-N 1 2 375.523 2.218 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928361555 654644532 /nfs/dbraw/zinc/64/45/32/654644532.db2.gz ZOXNWMNUIKYRMF-JHJVBQTASA-N 1 2 376.258 2.440 20 0 GEADLO C[C@@H](NC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1)c1ccc(Cl)cc1 ZINC000929172550 654674110 /nfs/dbraw/zinc/67/41/10/654674110.db2.gz ZFMQKFQYKAGATP-LLVKDONJSA-N 1 2 380.901 2.352 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(OC)c(Br)cn1 ZINC000930790413 654719816 /nfs/dbraw/zinc/71/98/16/654719816.db2.gz HIHJURSVFLFQCN-LLVKDONJSA-N 1 2 387.278 2.085 20 0 GEADLO CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccc(Br)nc2N)C1 ZINC000931011935 654726221 /nfs/dbraw/zinc/72/62/21/654726221.db2.gz FIZOHPSJULHXIC-SNVBAGLBSA-N 1 2 394.273 2.316 20 0 GEADLO CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccc(Br)nc2N)C1 ZINC000931011935 654726225 /nfs/dbraw/zinc/72/62/25/654726225.db2.gz FIZOHPSJULHXIC-SNVBAGLBSA-N 1 2 394.273 2.316 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931199778 654733258 /nfs/dbraw/zinc/73/32/58/654733258.db2.gz KXYUGJMEPDWXCY-UHFFFAOYSA-N 1 2 383.279 2.449 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931199778 654733262 /nfs/dbraw/zinc/73/32/62/654733262.db2.gz KXYUGJMEPDWXCY-UHFFFAOYSA-N 1 2 383.279 2.449 20 0 GEADLO COc1c(C)[nH]cc(C[N@H+](C)CC(=O)N(C)Cc2ccc(Cl)s2)c1=O ZINC000931322239 654738400 /nfs/dbraw/zinc/73/84/00/654738400.db2.gz PJDOTVJVWDIFKP-UHFFFAOYSA-N 1 2 383.901 2.497 20 0 GEADLO COc1c(C)[nH]cc(C[N@@H+](C)CC(=O)N(C)Cc2ccc(Cl)s2)c1=O ZINC000931322239 654738403 /nfs/dbraw/zinc/73/84/03/654738403.db2.gz PJDOTVJVWDIFKP-UHFFFAOYSA-N 1 2 383.901 2.497 20 0 GEADLO C/C(=C/C(=O)NCc1nc2ccc(Br)cc2o1)C[NH+]1CCOCC1 ZINC000911988912 654738986 /nfs/dbraw/zinc/73/89/86/654738986.db2.gz VYEXSCGVBAYPPW-WQLSENKSSA-N 1 2 394.269 2.485 20 0 GEADLO [NH3+][C@@H](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(F)F ZINC000912014796 654739935 /nfs/dbraw/zinc/73/99/35/654739935.db2.gz PEXYIULABMYBQO-NSHDSACASA-N 1 2 381.832 2.046 20 0 GEADLO C[N@@H+](CC(=O)Nc1cccnn1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000931379484 654740352 /nfs/dbraw/zinc/74/03/52/654740352.db2.gz JOMXUHHAJOTJHY-CYBMUJFWSA-N 1 2 385.251 2.094 20 0 GEADLO C[N@H+](CC(=O)Nc1cccnn1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000931379484 654740357 /nfs/dbraw/zinc/74/03/57/654740357.db2.gz JOMXUHHAJOTJHY-CYBMUJFWSA-N 1 2 385.251 2.094 20 0 GEADLO COC1(OC)CC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H]1O ZINC000931636404 654749990 /nfs/dbraw/zinc/74/99/90/654749990.db2.gz UCHINJHTMXQSII-LSDHHAIUSA-N 1 2 389.279 2.154 20 0 GEADLO COC1(OC)CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H]1O ZINC000931636404 654749995 /nfs/dbraw/zinc/74/99/95/654749995.db2.gz UCHINJHTMXQSII-LSDHHAIUSA-N 1 2 389.279 2.154 20 0 GEADLO COC1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1O ZINC000931635355 654750097 /nfs/dbraw/zinc/75/00/97/654750097.db2.gz FKGWLRIFGYJRNW-HZMBPMFUSA-N 1 2 377.268 2.376 20 0 GEADLO COC1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1O ZINC000931635355 654750099 /nfs/dbraw/zinc/75/00/99/654750099.db2.gz FKGWLRIFGYJRNW-HZMBPMFUSA-N 1 2 377.268 2.376 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)C(=O)N2CCC[C@H]2c2ccsc2)n1 ZINC000931655058 654751389 /nfs/dbraw/zinc/75/13/89/654751389.db2.gz OCMCNACAVOEIBU-AWEZNQCLSA-N 1 2 378.523 2.246 20 0 GEADLO COC1(OC)CCOC[C@@H]1[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000931664521 654751961 /nfs/dbraw/zinc/75/19/61/654751961.db2.gz AABRFXDNMBSSHU-AWEZNQCLSA-N 1 2 398.308 2.135 20 0 GEADLO COC(=O)C[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)c1ccc(Br)cc1 ZINC000912455696 654754653 /nfs/dbraw/zinc/75/46/53/654754653.db2.gz XPBZYQILONAGEV-GHMZBOCLSA-N 1 2 379.201 2.152 20 0 GEADLO C[N@@H+]1CCN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)[C@@H](CO)C1 ZINC000912741033 654766011 /nfs/dbraw/zinc/76/60/11/654766011.db2.gz JULUKZBXAYQGKV-GFCCVEGCSA-N 1 2 381.192 2.216 20 0 GEADLO C[N@H+]1CCN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)[C@@H](CO)C1 ZINC000912741033 654766014 /nfs/dbraw/zinc/76/60/14/654766014.db2.gz JULUKZBXAYQGKV-GFCCVEGCSA-N 1 2 381.192 2.216 20 0 GEADLO O=C(c1cnc(CCC(F)(F)F)s1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000932162958 654768802 /nfs/dbraw/zinc/76/88/02/654768802.db2.gz SALYQIKFHGKSOZ-VXGBXAGGSA-N 1 2 377.432 2.309 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1nccc2c(Br)cccc21 ZINC000932185646 654769452 /nfs/dbraw/zinc/76/94/52/654769452.db2.gz FYFQCJYKEXJPAX-CYBMUJFWSA-N 1 2 391.313 2.363 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1ccccc1SC(F)(F)F ZINC000912897313 654773922 /nfs/dbraw/zinc/77/39/22/654773922.db2.gz YAAMTWLYNSESAS-UHFFFAOYSA-N 1 2 376.400 2.477 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1ccccc1SC(F)(F)F ZINC000912897313 654773923 /nfs/dbraw/zinc/77/39/23/654773923.db2.gz YAAMTWLYNSESAS-UHFFFAOYSA-N 1 2 376.400 2.477 20 0 GEADLO Cc1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cnc1Br ZINC000932494579 654779320 /nfs/dbraw/zinc/77/93/20/654779320.db2.gz RCERHJDPBXAYLF-HNNXBMFYSA-N 1 2 382.302 2.479 20 0 GEADLO Cc1ccc(Br)c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000932493012 654779403 /nfs/dbraw/zinc/77/94/03/654779403.db2.gz BOOKIUOUHSEQEJ-CQSZACIVSA-N 1 2 382.302 2.479 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000932793931 654790959 /nfs/dbraw/zinc/79/09/59/654790959.db2.gz WDJMQTJMAIHLOD-BXUZGUMPSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@@H](C)OC[C@H](O)C[N@H+]1CCc2cc(Br)c(F)cc2C1 ZINC000932793931 654790961 /nfs/dbraw/zinc/79/09/61/654790961.db2.gz WDJMQTJMAIHLOD-BXUZGUMPSA-N 1 2 376.266 2.359 20 0 GEADLO O=C(c1ccc(Cn2cc(Cl)cn2)s1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913441486 654792318 /nfs/dbraw/zinc/79/23/18/654792318.db2.gz MSTDBPJYJXFTMC-AWEZNQCLSA-N 1 2 376.873 2.156 20 0 GEADLO O=C(N1CC[NH2+][C@@H](c2cn[nH]c2)C1)C(F)(F)c1ccccc1Br ZINC000913453193 654792822 /nfs/dbraw/zinc/79/28/22/654792822.db2.gz KDVCFIFBZFTATD-CYBMUJFWSA-N 1 2 385.212 2.437 20 0 GEADLO COc1cc(Br)ccc1CCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913450847 654792908 /nfs/dbraw/zinc/79/29/08/654792908.db2.gz GKXSXUCYCBOQIQ-OAHLLOKOSA-N 1 2 393.285 2.287 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3ccc(Br)c(F)c3F)CC[NH2+]2)cn1 ZINC000913457006 654793070 /nfs/dbraw/zinc/79/30/70/654793070.db2.gz VNRWHHQIEVXBPV-LBPRGKRZSA-N 1 2 385.212 2.248 20 0 GEADLO O=C(c1nc(Br)sc1Cl)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913458258 654793322 /nfs/dbraw/zinc/79/33/22/654793322.db2.gz KCIODGMOJYEUAT-ZETCQYMHSA-N 1 2 376.667 2.069 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913458216 654793428 /nfs/dbraw/zinc/79/34/28/654793428.db2.gz JVVGTRQOETWYBP-GFCCVEGCSA-N 1 2 383.221 2.107 20 0 GEADLO CN(C)c1cc(Br)cc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)c1 ZINC000913459553 654793587 /nfs/dbraw/zinc/79/35/87/654793587.db2.gz FGHVCHJXQUAVNY-MRXNPFEDSA-N 1 2 392.301 2.035 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)C3(c4ccccc4Br)CC3)CC[NH2+]2)cn1 ZINC000913462601 654793882 /nfs/dbraw/zinc/79/38/82/654793882.db2.gz KZAVOTLQGAPJCX-INIZCTEOSA-N 1 2 389.297 2.387 20 0 GEADLO Cn1cc([C@H]2CN(C(=O)C3(c4ccc(Br)cc4)CC3)CC[NH2+]2)cn1 ZINC000913473357 654794493 /nfs/dbraw/zinc/79/44/93/654794493.db2.gz RDWICFVKYFPDHR-MRXNPFEDSA-N 1 2 389.297 2.387 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)CCc3ccc(Br)cc3)CC[NH2+]2)cn1 ZINC000913469118 654794605 /nfs/dbraw/zinc/79/46/05/654794605.db2.gz VXGUEDNILBZAGV-INIZCTEOSA-N 1 2 377.286 2.288 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCc2cc(F)c(Br)cc2C1 ZINC000933138499 654803508 /nfs/dbraw/zinc/80/35/08/654803508.db2.gz PUFDKCTUPBNMFE-SMDDNHRTSA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCc2cc(F)c(Br)cc2C1 ZINC000933138499 654803511 /nfs/dbraw/zinc/80/35/11/654803511.db2.gz PUFDKCTUPBNMFE-SMDDNHRTSA-N 1 2 376.266 2.359 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cnn(C2CCC2)c1)[N@@H+]1CCc2sccc2C1 ZINC000913906179 654815285 /nfs/dbraw/zinc/81/52/85/654815285.db2.gz KAKZIOSSKHCCLO-CYBMUJFWSA-N 1 2 380.539 2.395 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cnn(C2CCC2)c1)[N@H+]1CCc2sccc2C1 ZINC000913906179 654815287 /nfs/dbraw/zinc/81/52/87/654815287.db2.gz KAKZIOSSKHCCLO-CYBMUJFWSA-N 1 2 380.539 2.395 20 0 GEADLO COCc1nc(C[NH+]2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)cs1 ZINC000933553259 654816688 /nfs/dbraw/zinc/81/66/88/654816688.db2.gz GNVIRVZWTWBEFI-UHFFFAOYSA-N 1 2 381.523 2.317 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000913969576 654819609 /nfs/dbraw/zinc/81/96/09/654819609.db2.gz WWXNRSKTSQETKA-SECBINFHSA-N 1 2 393.278 2.112 20 0 GEADLO COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1F ZINC000913969576 654819610 /nfs/dbraw/zinc/81/96/10/654819610.db2.gz WWXNRSKTSQETKA-SECBINFHSA-N 1 2 393.278 2.112 20 0 GEADLO CN(Cc1ncc(Br)cn1)C(=O)NCCCNc1cccc[nH+]1 ZINC000914154025 654830004 /nfs/dbraw/zinc/83/00/04/654830004.db2.gz RNINVLQWBIMZRJ-UHFFFAOYSA-N 1 2 379.262 2.278 20 0 GEADLO Cn1cc([C@@H]2CSCCC[N@@H+]2C[C@@H](O)c2cc(Br)no2)cn1 ZINC000933973229 654832338 /nfs/dbraw/zinc/83/23/38/654832338.db2.gz IZXUFHJSKPTDGI-NWDGAFQWSA-N 1 2 387.303 2.384 20 0 GEADLO Cn1cc([C@@H]2CSCCC[N@H+]2C[C@@H](O)c2cc(Br)no2)cn1 ZINC000933973229 654832340 /nfs/dbraw/zinc/83/23/40/654832340.db2.gz IZXUFHJSKPTDGI-NWDGAFQWSA-N 1 2 387.303 2.384 20 0 GEADLO CCCOc1ccc(Br)cc1C[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000934221409 654839171 /nfs/dbraw/zinc/83/91/71/654839171.db2.gz NJYPZJSGZDOJKN-QGZVFWFLSA-N 1 2 395.301 2.468 20 0 GEADLO Cc1c(Br)cncc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000934262548 654841020 /nfs/dbraw/zinc/84/10/20/654841020.db2.gz LCYDFFPMMDJJAU-YPMHNXCESA-N 1 2 383.290 2.479 20 0 GEADLO Cn1ccc(C[N@@H+]2CCn3c(c(Br)nc3C(F)(F)F)C2)cc1=O ZINC000934329116 654844742 /nfs/dbraw/zinc/84/47/42/654844742.db2.gz YBMOWRIYMDEPJB-UHFFFAOYSA-N 1 2 391.191 2.379 20 0 GEADLO Cn1ccc(C[N@H+]2CCn3c(c(Br)nc3C(F)(F)F)C2)cc1=O ZINC000934329116 654844744 /nfs/dbraw/zinc/84/47/44/654844744.db2.gz YBMOWRIYMDEPJB-UHFFFAOYSA-N 1 2 391.191 2.379 20 0 GEADLO O=C(NCC1C[C@H]2CC[C@@H](C1)S2)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000914329370 654845661 /nfs/dbraw/zinc/84/56/61/654845661.db2.gz ZTLQRZWEGXNOAA-YCXXCVGLSA-N 1 2 385.599 2.168 20 0 GEADLO C[C@](CO)([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1cccc(Br)c1 ZINC000934493945 654850690 /nfs/dbraw/zinc/85/06/90/654850690.db2.gz MSGNCXPWZFCWLY-CXAGYDPISA-N 1 2 395.301 2.074 20 0 GEADLO O=S(=O)(Cc1ccsc1Br)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000914397729 654850938 /nfs/dbraw/zinc/85/09/38/654850938.db2.gz KJFJMPRAEAQQJE-SNVBAGLBSA-N 1 2 376.301 2.142 20 0 GEADLO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H](CO)c1ccccc1I ZINC000934829340 654862826 /nfs/dbraw/zinc/86/28/26/654862826.db2.gz MQCRZANZHLCDJD-FZMZJTMJSA-N 1 2 390.265 2.075 20 0 GEADLO C[C@H]([NH2+][C@H](CO)c1ccccc1I)C(=O)NC(C)(C)C ZINC000934830650 654863212 /nfs/dbraw/zinc/86/32/12/654863212.db2.gz UHZGYSSQHRBZJM-GXFFZTMASA-N 1 2 390.265 2.217 20 0 GEADLO CCn1cc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)nn1 ZINC000935921575 654927503 /nfs/dbraw/zinc/92/75/03/654927503.db2.gz ZKWMTHZSRUBQHF-UHFFFAOYSA-N 1 2 393.245 2.193 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cnn2cccc(Br)c12 ZINC000935933066 654928377 /nfs/dbraw/zinc/92/83/77/654928377.db2.gz KTKXFXBWQHCNGE-OLZOCXBDSA-N 1 2 393.285 2.032 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cnn2cccc(Br)c12 ZINC000935933068 654928411 /nfs/dbraw/zinc/92/84/11/654928411.db2.gz KTKXFXBWQHCNGE-STQMWFEESA-N 1 2 393.285 2.032 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(C)C)nc(C)n1 ZINC001164699872 719841239 /nfs/dbraw/zinc/84/12/39/719841239.db2.gz IOBFFNCUFQTCQK-OXQOHEQNSA-N 1 2 376.501 2.141 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ccoc21 ZINC001164698078 719843492 /nfs/dbraw/zinc/84/34/92/719843492.db2.gz FCNSISCFWAXRQY-SGTLLEGYSA-N 1 2 394.859 2.109 20 0 GEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cnc1Cl ZINC001164700136 719851710 /nfs/dbraw/zinc/85/17/10/719851710.db2.gz GQNJBFYBUOQKGN-BDJLRTHQSA-N 1 2 389.283 2.016 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(OC)cc2n1 ZINC001164701907 719859262 /nfs/dbraw/zinc/85/92/62/719859262.db2.gz LZOZBCNDPWRNPS-HTAPYJJXSA-N 1 2 399.491 2.476 20 0 GEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(C)(C)C)nn1 ZINC001164708177 719869275 /nfs/dbraw/zinc/86/92/75/719869275.db2.gz XXWQLGSILDQYOG-YWZLYKJASA-N 1 2 376.501 2.007 20 0 GEADLO CCCCc1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ncn1 ZINC001164703799 719874925 /nfs/dbraw/zinc/87/49/25/719874925.db2.gz KNYANYMZGFDPEL-YLJYHZDGSA-N 1 2 376.501 2.052 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc(Cl)c1C(C)C ZINC001164705002 719876562 /nfs/dbraw/zinc/87/65/62/719876562.db2.gz MVIJXBIJBVQVSI-IFXJQAMLSA-N 1 2 396.919 2.486 20 0 GEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)cc(C(C)C)n1 ZINC001164704235 719877633 /nfs/dbraw/zinc/87/76/33/719877633.db2.gz UOYDAUFUQZVXFH-OXJNMPFZSA-N 1 2 376.501 2.141 20 0 GEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)cc(C(C)C)n1 ZINC001164704238 719878224 /nfs/dbraw/zinc/87/82/24/719878224.db2.gz UOYDAUFUQZVXFH-UZLBHIALSA-N 1 2 376.501 2.141 20 0 GEADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1[C@H](F)Oc1ccc(Cl)nn1 ZINC001164720862 720317946 /nfs/dbraw/zinc/31/79/46/720317946.db2.gz BMWRUOGPAJKXBU-GUYCJALGSA-N 1 2 396.854 2.275 20 0 GEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1COC3)C2 ZINC001165010752 721700570 /nfs/dbraw/zinc/70/05/70/721700570.db2.gz LTDGIEVNGDAJDP-UHFFFAOYSA-N 1 2 377.880 2.002 20 0 GEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1COC3)C2 ZINC001165010752 721700578 /nfs/dbraw/zinc/70/05/78/721700578.db2.gz LTDGIEVNGDAJDP-UHFFFAOYSA-N 1 2 377.880 2.002 20 0 GEADLO CC(C)Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164915675 721796459 /nfs/dbraw/zinc/79/64/59/721796459.db2.gz XLZMNUCDMUOENS-QFIPXVFZSA-N 1 2 397.523 2.178 20 0 GEADLO CC(C)Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164915675 721796460 /nfs/dbraw/zinc/79/64/60/721796460.db2.gz XLZMNUCDMUOENS-QFIPXVFZSA-N 1 2 397.523 2.178 20 0 GEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccnc(-c3cccnc3)n2)CC1 ZINC001164918318 721816534 /nfs/dbraw/zinc/81/65/34/721816534.db2.gz NNHNGCMKTQRVLE-UHFFFAOYSA-N 1 2 375.480 2.485 20 0 GEADLO CN1C(=O)CC[C@@H]2[C@@H]1CCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164934675 721891497 /nfs/dbraw/zinc/89/14/97/721891497.db2.gz RZFPDTOOLJFSDG-VQTJNVASSA-N 1 2 377.492 2.234 20 0 GEADLO CN1C(=O)CC[C@@H]2[C@@H]1CCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164934675 721891499 /nfs/dbraw/zinc/89/14/99/721891499.db2.gz RZFPDTOOLJFSDG-VQTJNVASSA-N 1 2 377.492 2.234 20 0 GEADLO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165045036 721920060 /nfs/dbraw/zinc/92/00/60/721920060.db2.gz YJILVQJUHHSYLO-MLGOLLRUSA-N 1 2 394.825 2.236 20 0 GEADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@@H]21 ZINC001164946752 721955917 /nfs/dbraw/zinc/95/59/17/721955917.db2.gz OTQFKKACQMTTGK-RBUKOAKNSA-N 1 2 398.511 2.161 20 0 GEADLO Cc1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164947426 721969092 /nfs/dbraw/zinc/96/90/92/721969092.db2.gz QQCLHGOUEMCWGM-UHFFFAOYSA-N 1 2 385.899 2.409 20 0 GEADLO Cc1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164947426 721969095 /nfs/dbraw/zinc/96/90/95/721969095.db2.gz QQCLHGOUEMCWGM-UHFFFAOYSA-N 1 2 385.899 2.409 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000526781792 531309373 /nfs/dbraw/zinc/30/93/73/531309373.db2.gz LGWZIEDUWJUXLI-UHFFFAOYSA-N 1 2 385.852 2.451 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cc4ccc(Br)cn4n3)C[C@H]21 ZINC000482050389 531393609 /nfs/dbraw/zinc/39/36/09/531393609.db2.gz PKNDXHRGNZIAOE-KGLIPLIRSA-N 1 2 394.273 2.034 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cc4ccc(Br)cn4n3)C[C@H]21 ZINC000482050389 531393611 /nfs/dbraw/zinc/39/36/11/531393611.db2.gz PKNDXHRGNZIAOE-KGLIPLIRSA-N 1 2 394.273 2.034 20 0 GEADLO O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000151562092 531510981 /nfs/dbraw/zinc/51/09/81/531510981.db2.gz ASUCTZDKKRLLKQ-HNNXBMFYSA-N 1 2 392.297 2.452 20 0 GEADLO O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000151562092 531510992 /nfs/dbraw/zinc/51/09/92/531510992.db2.gz ASUCTZDKKRLLKQ-HNNXBMFYSA-N 1 2 392.297 2.452 20 0 GEADLO C[C@@H](c1ccc(NS(=O)(=O)c2cn(C)c(Cl)n2)cc1)[NH+]1CCOCC1 ZINC000152239175 531539227 /nfs/dbraw/zinc/53/92/27/531539227.db2.gz CICVFYVYJSXKFM-LBPRGKRZSA-N 1 2 384.889 2.268 20 0 GEADLO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000152354023 531545108 /nfs/dbraw/zinc/54/51/08/531545108.db2.gz UEHTZCLDXHABOW-CQSZACIVSA-N 1 2 389.323 2.325 20 0 GEADLO COc1ccc(Br)cc1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000152355854 531545776 /nfs/dbraw/zinc/54/57/76/531545776.db2.gz DEJAATZOPHZTPP-UHFFFAOYSA-N 1 2 385.302 2.227 20 0 GEADLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000152493894 531553697 /nfs/dbraw/zinc/55/36/97/531553697.db2.gz YAJMOKFVEDRCFK-RPVQJOFSSA-N 1 2 397.313 2.194 20 0 GEADLO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000152493894 531553703 /nfs/dbraw/zinc/55/37/03/531553703.db2.gz YAJMOKFVEDRCFK-RPVQJOFSSA-N 1 2 397.313 2.194 20 0 GEADLO Cc1cc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc[nH+]1 ZINC000017821048 531575289 /nfs/dbraw/zinc/57/52/89/531575289.db2.gz PYBHYSBYBUBPLZ-UHFFFAOYSA-N 1 2 398.282 2.460 20 0 GEADLO CCO[C@H]1C[C@H](O)C12CC[NH+](CC(=O)Nc1ccc(Br)cn1)CC2 ZINC000152882664 531577577 /nfs/dbraw/zinc/57/75/77/531577577.db2.gz FHXJJGJPVGCMKS-KBPBESRZSA-N 1 2 398.301 2.035 20 0 GEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)ncc2Cl)CC1 ZINC000153365095 531596715 /nfs/dbraw/zinc/59/67/15/531596715.db2.gz SHJUEJXLRPSGGV-UHFFFAOYSA-N 1 2 387.311 2.405 20 0 GEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)ncc2Cl)CC1 ZINC000153365095 531596724 /nfs/dbraw/zinc/59/67/24/531596724.db2.gz SHJUEJXLRPSGGV-UHFFFAOYSA-N 1 2 387.311 2.405 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)NCC1(c2ccccc2Br)CC1 ZINC000154389867 531622616 /nfs/dbraw/zinc/62/26/16/531622616.db2.gz VLTJYUHNZSUORM-UHFFFAOYSA-N 1 2 382.302 2.112 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000027566665 531625923 /nfs/dbraw/zinc/62/59/23/531625923.db2.gz SVOMMQRHVPRHCQ-IUODEOHRSA-N 1 2 382.302 2.179 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000027566665 531625928 /nfs/dbraw/zinc/62/59/28/531625928.db2.gz SVOMMQRHVPRHCQ-IUODEOHRSA-N 1 2 382.302 2.179 20 0 GEADLO O=S(=O)(NCc1ccc[nH+]c1N1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000028042078 531629539 /nfs/dbraw/zinc/62/95/39/531629539.db2.gz UZMUZNHCAUXDTB-UHFFFAOYSA-N 1 2 385.848 2.189 20 0 GEADLO C[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1ccc(Br)o1 ZINC000030216399 531633017 /nfs/dbraw/zinc/63/30/17/531633017.db2.gz ZAGPZNFMLXPESD-CYBMUJFWSA-N 1 2 395.253 2.430 20 0 GEADLO C[N@@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1ccc(Br)o1 ZINC000030216399 531633025 /nfs/dbraw/zinc/63/30/25/531633025.db2.gz ZAGPZNFMLXPESD-CYBMUJFWSA-N 1 2 395.253 2.430 20 0 GEADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000030131302 531633254 /nfs/dbraw/zinc/63/32/54/531633254.db2.gz MAENQVJIZZOXQT-UHFFFAOYSA-N 1 2 387.933 2.381 20 0 GEADLO C[N@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Br)o1 ZINC000030214223 531633614 /nfs/dbraw/zinc/63/36/14/531633614.db2.gz QZCIWTRCOHCOJO-UHFFFAOYSA-N 1 2 380.242 2.500 20 0 GEADLO C[N@@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Br)o1 ZINC000030214223 531633622 /nfs/dbraw/zinc/63/36/22/531633622.db2.gz QZCIWTRCOHCOJO-UHFFFAOYSA-N 1 2 380.242 2.500 20 0 GEADLO C[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)Cc1ccc(Br)o1 ZINC000030216402 531633920 /nfs/dbraw/zinc/63/39/20/531633920.db2.gz ZAGPZNFMLXPESD-ZDUSSCGKSA-N 1 2 395.253 2.430 20 0 GEADLO C[N@@H+](CC(=O)NC[C@H]1COc2ccccc2O1)Cc1ccc(Br)o1 ZINC000030216402 531633925 /nfs/dbraw/zinc/63/39/25/531633925.db2.gz ZAGPZNFMLXPESD-ZDUSSCGKSA-N 1 2 395.253 2.430 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccccc2Br)CC1 ZINC000154947787 531643618 /nfs/dbraw/zinc/64/36/18/531643618.db2.gz XAEPSAYBYZLOQN-CQSZACIVSA-N 1 2 394.313 2.218 20 0 GEADLO O=C(NCCc1cccc(Cl)c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031167382 531644064 /nfs/dbraw/zinc/64/40/64/531644064.db2.gz JPSCTLARGFWPAV-SFHVURJKSA-N 1 2 383.945 2.390 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000030337537 531635267 /nfs/dbraw/zinc/63/52/67/531635267.db2.gz XMCKDHMDCQYALD-RWMBFGLXSA-N 1 2 376.906 2.125 20 0 GEADLO COc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000030337537 531635278 /nfs/dbraw/zinc/63/52/78/531635278.db2.gz XMCKDHMDCQYALD-RWMBFGLXSA-N 1 2 376.906 2.125 20 0 GEADLO O=C(N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)C1(O)CCSCC1 ZINC000155021723 531649034 /nfs/dbraw/zinc/64/90/34/531649034.db2.gz WOYPPADZSMUUGZ-UHFFFAOYSA-N 1 2 384.929 2.121 20 0 GEADLO CCOc1cc(Br)ccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000155011522 531649476 /nfs/dbraw/zinc/64/94/76/531649476.db2.gz RADSMBWOBZZHSX-UHFFFAOYSA-N 1 2 395.257 2.189 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)N(Cc1cccc(Br)c1)C1CC1 ZINC000042950307 531675748 /nfs/dbraw/zinc/67/57/48/531675748.db2.gz WKRGKASUMRCMPN-UHFFFAOYSA-N 1 2 382.302 2.455 20 0 GEADLO O=C(C[NH+]1CCN(C(=O)Nc2ccc(Br)cc2)CC1)N1CCCC1 ZINC000043134055 531678015 /nfs/dbraw/zinc/67/80/15/531678015.db2.gz ALODPTVBSYFEBV-UHFFFAOYSA-N 1 2 395.301 2.221 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1ccc(F)c(F)c1F ZINC000043231539 531679877 /nfs/dbraw/zinc/67/98/77/531679877.db2.gz LJQKBEQXHDWYPQ-MRXNPFEDSA-N 1 2 375.416 2.433 20 0 GEADLO CCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000043231752 531680988 /nfs/dbraw/zinc/68/09/88/531680988.db2.gz DYVQXQORLCXOPE-GJZGRUSLSA-N 1 2 385.555 2.104 20 0 GEADLO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H](S(=O)(=O)NC)C3)cs2)cc1 ZINC000155695936 531696944 /nfs/dbraw/zinc/69/69/44/531696944.db2.gz BGMSVUVUDXPKIM-INIZCTEOSA-N 1 2 381.523 2.332 20 0 GEADLO CCOc1ccc(-c2nc(C[N@H+]3CC[C@H](S(=O)(=O)NC)C3)cs2)cc1 ZINC000155695936 531696950 /nfs/dbraw/zinc/69/69/50/531696950.db2.gz BGMSVUVUDXPKIM-INIZCTEOSA-N 1 2 381.523 2.332 20 0 GEADLO CNc1nc(C)cc(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000504945194 531711721 /nfs/dbraw/zinc/71/17/21/531711721.db2.gz VQSPYVCCWRZHEG-UHFFFAOYSA-N 1 2 389.257 2.475 20 0 GEADLO O=C(C[N@H+]1CCCN(CC(F)(F)F)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000155866590 531702626 /nfs/dbraw/zinc/70/26/26/531702626.db2.gz DWVNJOQLUQCDBU-LBPRGKRZSA-N 1 2 375.357 2.357 20 0 GEADLO O=C(C[N@@H+]1CCCN(CC(F)(F)F)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000155866590 531702632 /nfs/dbraw/zinc/70/26/32/531702632.db2.gz DWVNJOQLUQCDBU-LBPRGKRZSA-N 1 2 375.357 2.357 20 0 GEADLO C[C@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccc(Cl)s1 ZINC000046600062 531705088 /nfs/dbraw/zinc/70/50/88/531705088.db2.gz QBQAIXQXICWOLA-ZDUSSCGKSA-N 1 2 384.933 2.412 20 0 GEADLO Cn1cc(CCC[NH+]2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cn1 ZINC000047660388 531718187 /nfs/dbraw/zinc/71/81/87/531718187.db2.gz YRQVYNTYOCNPBP-UHFFFAOYSA-N 1 2 388.946 2.074 20 0 GEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000157609578 531750073 /nfs/dbraw/zinc/75/00/73/531750073.db2.gz KJNWPAJVPLTSIV-LBPRGKRZSA-N 1 2 395.301 2.266 20 0 GEADLO COCCCNC(=O)C[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000053141545 531756480 /nfs/dbraw/zinc/75/64/80/531756480.db2.gz AIXAYPGNOYMQJJ-GFCCVEGCSA-N 1 2 390.311 2.255 20 0 GEADLO COCCCNC(=O)C[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000053141545 531756487 /nfs/dbraw/zinc/75/64/87/531756487.db2.gz AIXAYPGNOYMQJJ-GFCCVEGCSA-N 1 2 390.311 2.255 20 0 GEADLO Cn1c(SCC(=O)N2CC[NH+](Cc3ccsc3)CC2)nnc1C1CC1 ZINC000053428955 531763765 /nfs/dbraw/zinc/76/37/65/531763765.db2.gz XNLJPPBVSYUKMY-UHFFFAOYSA-N 1 2 377.539 2.191 20 0 GEADLO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000054993195 531781750 /nfs/dbraw/zinc/78/17/50/531781750.db2.gz WBMCWNFOYJFZAV-UHFFFAOYSA-N 1 2 379.448 2.410 20 0 GEADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000055290566 531787138 /nfs/dbraw/zinc/78/71/38/531787138.db2.gz WATPRZADOBZQRX-CHWSQXEVSA-N 1 2 380.432 2.483 20 0 GEADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000055290483 531787567 /nfs/dbraw/zinc/78/75/67/531787567.db2.gz MFDUNIMLGOANPV-CHWSQXEVSA-N 1 2 391.331 2.227 20 0 GEADLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1cc2c(cc1Br)OCCO2 ZINC000056991748 531816676 /nfs/dbraw/zinc/81/66/76/531816676.db2.gz YKIGIUXMTLQUHL-LLVKDONJSA-N 1 2 395.257 2.477 20 0 GEADLO O=C(CS(=O)(=O)Cc1cn2ccccc2[nH+]1)NCc1cccc(Cl)c1 ZINC000058629439 531835050 /nfs/dbraw/zinc/83/50/50/531835050.db2.gz YEXPPDDRXHXVMR-UHFFFAOYSA-N 1 2 377.853 2.219 20 0 GEADLO O=C(NCc1nc(C2CC2)cs1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000163975181 531867406 /nfs/dbraw/zinc/86/74/06/531867406.db2.gz NDZYMBVOECXJQL-KRWDZBQOSA-N 1 2 382.555 2.028 20 0 GEADLO CCOC(=O)CCCNC(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000061800768 531856491 /nfs/dbraw/zinc/85/64/91/531856491.db2.gz HNRPCCCQBHOAGM-UHFFFAOYSA-N 1 2 377.304 2.402 20 0 GEADLO CCOC(=O)CCCNC(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000061800768 531856500 /nfs/dbraw/zinc/85/65/00/531856500.db2.gz HNRPCCCQBHOAGM-UHFFFAOYSA-N 1 2 377.304 2.402 20 0 GEADLO CN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000164752103 531869532 /nfs/dbraw/zinc/86/95/32/531869532.db2.gz ZEPMBLBNPSMCMB-TZMCWYRMSA-N 1 2 388.942 2.064 20 0 GEADLO CN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000164752103 531869545 /nfs/dbraw/zinc/86/95/45/531869545.db2.gz ZEPMBLBNPSMCMB-TZMCWYRMSA-N 1 2 388.942 2.064 20 0 GEADLO O=C(NC1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1)c1cccs1 ZINC000064802741 531869728 /nfs/dbraw/zinc/86/97/28/531869728.db2.gz GAXPVOHPFKLPQY-UHFFFAOYSA-N 1 2 378.519 2.416 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1ccc(Br)cn1 ZINC000170753592 531891380 /nfs/dbraw/zinc/89/13/80/531891380.db2.gz QANPXEOOZJXLKX-UHFFFAOYSA-N 1 2 377.242 2.006 20 0 GEADLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(Br)cn3)c[nH+]2)CCO1 ZINC000170756964 531891927 /nfs/dbraw/zinc/89/19/27/531891927.db2.gz JCVGEILQZPZNSX-LBPRGKRZSA-N 1 2 391.269 2.394 20 0 GEADLO O=C(NCCNC(=O)c1ccc2[nH+]ccn2c1)c1cccc(Br)c1 ZINC000171169815 531896853 /nfs/dbraw/zinc/89/68/53/531896853.db2.gz IMEGRPJQLFYJDM-UHFFFAOYSA-N 1 2 387.237 2.257 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1F ZINC000067651491 531887234 /nfs/dbraw/zinc/88/72/34/531887234.db2.gz FUJGAAGILHGOSM-ZDUSSCGKSA-N 1 2 379.295 2.492 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Br)ccc1F ZINC000067651491 531887243 /nfs/dbraw/zinc/88/72/43/531887243.db2.gz FUJGAAGILHGOSM-ZDUSSCGKSA-N 1 2 379.295 2.492 20 0 GEADLO Cn1cnc(S(=O)(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000069098462 531911405 /nfs/dbraw/zinc/91/14/05/531911405.db2.gz VYIKNFYRCBRJOT-AWEZNQCLSA-N 1 2 386.880 2.328 20 0 GEADLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C(=O)NCc1ccccc1 ZINC000171758757 531913437 /nfs/dbraw/zinc/91/34/37/531913437.db2.gz CGAZEWPJHXXGHO-MLGOLLRUSA-N 1 2 390.281 2.270 20 0 GEADLO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1ccsc1 ZINC000069924315 531913517 /nfs/dbraw/zinc/91/35/17/531913517.db2.gz NEAALMKWJKQIQI-ZFWWWQNUSA-N 1 2 375.560 2.206 20 0 GEADLO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CCn2ccnc2)CC1 ZINC000077119544 531917890 /nfs/dbraw/zinc/91/78/90/531917890.db2.gz IWKRBVOGYBSGOD-UHFFFAOYSA-N 1 2 383.279 2.413 20 0 GEADLO O=C(COc1ccc(Cl)cc1Cl)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000077119544 531917898 /nfs/dbraw/zinc/91/78/98/531917898.db2.gz IWKRBVOGYBSGOD-UHFFFAOYSA-N 1 2 383.279 2.413 20 0 GEADLO C[C@H](NC(=O)c1[nH]nc2ccc(Br)cc21)[C@H](C)[NH+]1CCOCC1 ZINC000171808116 531918904 /nfs/dbraw/zinc/91/89/04/531918904.db2.gz QZFALLRHBUZAPM-QWRGUYRKSA-N 1 2 381.274 2.164 20 0 GEADLO O=S1(=O)CC[C@@H]([N@H+](Cc2cc3c(c(Br)c2)OCO3)C2CC2)C1 ZINC000171935807 531924425 /nfs/dbraw/zinc/92/44/25/531924425.db2.gz FSZVOGNWUVSSNH-GFCCVEGCSA-N 1 2 388.283 2.329 20 0 GEADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2cc3c(c(Br)c2)OCO3)C2CC2)C1 ZINC000171935807 531924429 /nfs/dbraw/zinc/92/44/29/531924429.db2.gz FSZVOGNWUVSSNH-GFCCVEGCSA-N 1 2 388.283 2.329 20 0 GEADLO OCC[N@H+](CCN1CCOCC1)Cc1cc(Cl)ccc1Br ZINC000092186532 531925778 /nfs/dbraw/zinc/92/57/78/531925778.db2.gz IXFZVLIXJVJTFN-UHFFFAOYSA-N 1 2 377.710 2.229 20 0 GEADLO OCC[N@@H+](CCN1CCOCC1)Cc1cc(Cl)ccc1Br ZINC000092186532 531925784 /nfs/dbraw/zinc/92/57/84/531925784.db2.gz IXFZVLIXJVJTFN-UHFFFAOYSA-N 1 2 377.710 2.229 20 0 GEADLO OCCN(CC[NH+]1CCOCC1)Cc1cc(Cl)ccc1Br ZINC000092186532 531925789 /nfs/dbraw/zinc/92/57/89/531925789.db2.gz IXFZVLIXJVJTFN-UHFFFAOYSA-N 1 2 377.710 2.229 20 0 GEADLO Brc1ccc2ncc(C[N@@H+]3CCC[C@@H]3CN3CCOCC3)n2c1 ZINC000092217874 531925820 /nfs/dbraw/zinc/92/58/20/531925820.db2.gz UHSSOWSBBJVSRA-OAHLLOKOSA-N 1 2 379.302 2.393 20 0 GEADLO Brc1ccc2ncc(C[N@H+]3CCC[C@@H]3CN3CCOCC3)n2c1 ZINC000092217874 531925828 /nfs/dbraw/zinc/92/58/28/531925828.db2.gz UHSSOWSBBJVSRA-OAHLLOKOSA-N 1 2 379.302 2.393 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1)Nc1ccccc1Br ZINC000119505826 531971023 /nfs/dbraw/zinc/97/10/23/531971023.db2.gz YDGPCYYLFGZXCR-CYBMUJFWSA-N 1 2 378.274 2.391 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H](Cn2ccnn2)C1)Nc1ccccc1Br ZINC000119505826 531971032 /nfs/dbraw/zinc/97/10/32/531971032.db2.gz YDGPCYYLFGZXCR-CYBMUJFWSA-N 1 2 378.274 2.391 20 0 GEADLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000172968203 531977567 /nfs/dbraw/zinc/97/75/67/531977567.db2.gz WRQUNPBJQWIJMC-UHFFFAOYSA-N 1 2 375.226 2.226 20 0 GEADLO C[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CCC(CO)CC1 ZINC000120350475 531982402 /nfs/dbraw/zinc/98/24/02/531982402.db2.gz PFFVRDYUARRFQC-UHFFFAOYSA-N 1 2 388.917 2.165 20 0 GEADLO C[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C1CCC(CO)CC1 ZINC000120350475 531982406 /nfs/dbraw/zinc/98/24/06/531982406.db2.gz PFFVRDYUARRFQC-UHFFFAOYSA-N 1 2 388.917 2.165 20 0 GEADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1c[nH]c(=O)c(Br)c1 ZINC000173062439 531985131 /nfs/dbraw/zinc/98/51/31/531985131.db2.gz CJHBEEVVHXZDHC-UHFFFAOYSA-N 1 2 387.237 2.312 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000120681475 531988049 /nfs/dbraw/zinc/98/80/49/531988049.db2.gz ZVQBKDJKMKIQDK-AWEZNQCLSA-N 1 2 382.873 2.046 20 0 GEADLO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000120681475 531988053 /nfs/dbraw/zinc/98/80/53/531988053.db2.gz ZVQBKDJKMKIQDK-AWEZNQCLSA-N 1 2 382.873 2.046 20 0 GEADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1c[nH]c(=O)c(Br)c1 ZINC000173230977 531998086 /nfs/dbraw/zinc/99/80/86/531998086.db2.gz ZTVZRBUOSNXOND-UHFFFAOYSA-N 1 2 392.253 2.222 20 0 GEADLO CCC(CC)[C@H](C(=O)Nc1cc(Br)c[nH]c1=O)[NH+]1CCOCC1 ZINC000173254123 531999276 /nfs/dbraw/zinc/99/92/76/531999276.db2.gz AWCFIQISHSZSJT-CQSZACIVSA-N 1 2 386.290 2.213 20 0 GEADLO COc1ccc(Br)cc1CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000173557495 532020043 /nfs/dbraw/zinc/02/00/43/532020043.db2.gz XPAKCRASRWIJDU-STQMWFEESA-N 1 2 385.302 2.226 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000173772419 532032644 /nfs/dbraw/zinc/03/26/44/532032644.db2.gz YGOPLDPJTORAFZ-UHFFFAOYSA-N 1 2 377.819 2.415 20 0 GEADLO CC(=O)N[C@@H](CC(=O)NCCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000121541522 532034067 /nfs/dbraw/zinc/03/40/67/532034067.db2.gz WIMGKXHJASASGK-INIZCTEOSA-N 1 2 393.285 2.109 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000121551653 532034591 /nfs/dbraw/zinc/03/45/91/532034591.db2.gz DSWUVPAGLDOSBF-QHCPKHFHSA-N 1 2 398.326 2.429 20 0 GEADLO O=C(C[NH+]1CCN(c2cccc(O)c2)CC1)Nc1ccc(Br)cn1 ZINC000121631650 532039079 /nfs/dbraw/zinc/03/90/79/532039079.db2.gz DYJPBKWSCVGJSM-UHFFFAOYSA-N 1 2 391.269 2.310 20 0 GEADLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)C(=O)NCc1ccco1 ZINC000174011330 532045115 /nfs/dbraw/zinc/04/51/15/532045115.db2.gz KFUAKBKEMIYRMS-LKFCYVNXSA-N 1 2 398.232 2.002 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)c1ccc(Br)cc1-n1cncn1 ZINC000121771521 532046248 /nfs/dbraw/zinc/04/62/48/532046248.db2.gz VJMHKMSJSKABFS-UHFFFAOYSA-N 1 2 375.230 2.046 20 0 GEADLO Cc1nsc(N2CCC[N@@H+]([C@@H](C)C(=O)NCCc3cccs3)CC2)n1 ZINC000174169606 532053851 /nfs/dbraw/zinc/05/38/51/532053851.db2.gz NCAOHRBJFVUFTL-ZDUSSCGKSA-N 1 2 379.555 2.168 20 0 GEADLO Cc1nsc(N2CCC[N@H+]([C@@H](C)C(=O)NCCc3cccs3)CC2)n1 ZINC000174169606 532053853 /nfs/dbraw/zinc/05/38/53/532053853.db2.gz NCAOHRBJFVUFTL-ZDUSSCGKSA-N 1 2 379.555 2.168 20 0 GEADLO Cn1cnc(S(=O)(=O)N2C[C@H](n3cc[nH+]c3)Cc3ccccc32)c1Cl ZINC000174264567 532058661 /nfs/dbraw/zinc/05/86/61/532058661.db2.gz OCHIWAOXLALYFE-CYBMUJFWSA-N 1 2 377.857 2.263 20 0 GEADLO OC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000122155531 532059542 /nfs/dbraw/zinc/05/95/42/532059542.db2.gz LUGOQHFQEAGLMR-LBPRGKRZSA-N 1 2 379.766 2.498 20 0 GEADLO OC[C@@H](O)C[N@H+](CCC(F)(F)F)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000122155531 532059534 /nfs/dbraw/zinc/05/95/34/532059534.db2.gz LUGOQHFQEAGLMR-LBPRGKRZSA-N 1 2 379.766 2.498 20 0 GEADLO C[C@H](NC(=O)C[N@H+](CCC(F)(F)F)C[C@H](O)CO)c1ccc(Cl)cc1 ZINC000122230844 532063038 /nfs/dbraw/zinc/06/30/38/532063038.db2.gz LJBVSUVADNEYGL-FZMZJTMJSA-N 1 2 382.810 2.125 20 0 GEADLO C[C@H](NC(=O)C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c1ccc(Cl)cc1 ZINC000122230844 532063044 /nfs/dbraw/zinc/06/30/44/532063044.db2.gz LJBVSUVADNEYGL-FZMZJTMJSA-N 1 2 382.810 2.125 20 0 GEADLO Cc1nnc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1C ZINC000122270240 532064573 /nfs/dbraw/zinc/06/45/73/532064573.db2.gz CQSFAUYTQCWRJX-GFCCVEGCSA-N 1 2 393.289 2.132 20 0 GEADLO Cc1nnc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1C ZINC000122270240 532064581 /nfs/dbraw/zinc/06/45/81/532064581.db2.gz CQSFAUYTQCWRJX-GFCCVEGCSA-N 1 2 393.289 2.132 20 0 GEADLO CCC(=O)N1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000122676447 532078138 /nfs/dbraw/zinc/07/81/38/532078138.db2.gz CTVIFPDNCZVIKY-UHFFFAOYSA-N 1 2 396.329 2.352 20 0 GEADLO CCC(=O)N1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000122676447 532078144 /nfs/dbraw/zinc/07/81/44/532078144.db2.gz CTVIFPDNCZVIKY-UHFFFAOYSA-N 1 2 396.329 2.352 20 0 GEADLO Cn1cc(N2CC[NH+](Cc3cc4c(cc3Br)OCCO4)CC2)cn1 ZINC000174915939 532084831 /nfs/dbraw/zinc/08/48/31/532084831.db2.gz LCXXJRHCDHWDLX-UHFFFAOYSA-N 1 2 393.285 2.276 20 0 GEADLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1nc(C(F)(F)F)cs1 ZINC000174973655 532085177 /nfs/dbraw/zinc/08/51/77/532085177.db2.gz BBFBBRTVBICKBH-UHFFFAOYSA-N 1 2 395.428 2.320 20 0 GEADLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1nc(C(F)(F)F)cs1 ZINC000174973655 532085181 /nfs/dbraw/zinc/08/51/81/532085181.db2.gz BBFBBRTVBICKBH-UHFFFAOYSA-N 1 2 395.428 2.320 20 0 GEADLO O=C(NCc1nc(C(F)(F)F)cs1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000175223400 532093903 /nfs/dbraw/zinc/09/39/03/532093903.db2.gz WEEAQJBRJHFBDG-LLVKDONJSA-N 1 2 378.420 2.168 20 0 GEADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175930677 532119895 /nfs/dbraw/zinc/11/98/95/532119895.db2.gz PGVGCHFQCCRXAM-LBPRGKRZSA-N 1 2 375.252 2.126 20 0 GEADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175930677 532119899 /nfs/dbraw/zinc/11/98/99/532119899.db2.gz PGVGCHFQCCRXAM-LBPRGKRZSA-N 1 2 375.252 2.126 20 0 GEADLO CNC(=O)Cc1nc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)cs1 ZINC000125596456 532139483 /nfs/dbraw/zinc/13/94/83/532139483.db2.gz WJPZEVNRPGXIAB-CQSZACIVSA-N 1 2 398.326 2.360 20 0 GEADLO CNC(=O)Cc1nc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)cs1 ZINC000125596456 532139487 /nfs/dbraw/zinc/13/94/87/532139487.db2.gz WJPZEVNRPGXIAB-CQSZACIVSA-N 1 2 398.326 2.360 20 0 GEADLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000125021623 532132169 /nfs/dbraw/zinc/13/21/69/532132169.db2.gz WKNCGCSWPQHPEH-UONOGXRCSA-N 1 2 385.258 2.040 20 0 GEADLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000125021623 532132173 /nfs/dbraw/zinc/13/21/73/532132173.db2.gz WKNCGCSWPQHPEH-UONOGXRCSA-N 1 2 385.258 2.040 20 0 GEADLO Cc1nc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)sc1Br ZINC000125510454 532137478 /nfs/dbraw/zinc/13/74/78/532137478.db2.gz BEGWQXRDOYQRSR-VIFPVBQESA-N 1 2 394.316 2.388 20 0 GEADLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC000127070333 532152415 /nfs/dbraw/zinc/15/24/15/532152415.db2.gz MMELJYZURBDBLL-BETUJISGSA-N 1 2 376.469 2.272 20 0 GEADLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC000127070333 532152418 /nfs/dbraw/zinc/15/24/18/532152418.db2.gz MMELJYZURBDBLL-BETUJISGSA-N 1 2 376.469 2.272 20 0 GEADLO O=C(C[S@](=O)Cc1cn2cc(Br)ccc2[nH+]1)NCC1CCC1 ZINC000176554443 532140410 /nfs/dbraw/zinc/14/04/10/532140410.db2.gz NWENJJXBCYVRSJ-JOCHJYFZSA-N 1 2 384.299 2.262 20 0 GEADLO COC[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000176644506 532145000 /nfs/dbraw/zinc/14/50/00/532145000.db2.gz ZSPNXMVVWWIQFT-DLBZAZTESA-N 1 2 397.313 2.460 20 0 GEADLO O=S(=O)(c1cc2c(cc1Br)OCCO2)N1CCc2c[nH+]ccc21 ZINC000176736913 532148341 /nfs/dbraw/zinc/14/83/41/532148341.db2.gz UCDUUWCBFVRUET-UHFFFAOYSA-N 1 2 397.250 2.367 20 0 GEADLO Cc1ccc(NC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)c(C)[nH+]1 ZINC000176746759 532148663 /nfs/dbraw/zinc/14/86/63/532148663.db2.gz YBFUXJQPWZSLSY-UHFFFAOYSA-N 1 2 382.873 2.452 20 0 GEADLO O=S(=O)(c1ccc(I)cc1)N1CCc2c[nH+]ccc21 ZINC000176737703 532148890 /nfs/dbraw/zinc/14/88/90/532148890.db2.gz ZQLDZBWXTFPSQN-UHFFFAOYSA-N 1 2 386.214 2.438 20 0 GEADLO Cn1c[nH+]cc1CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000177231952 532165749 /nfs/dbraw/zinc/16/57/49/532165749.db2.gz RHBUOBWLUCXCIF-UHFFFAOYSA-N 1 2 389.308 2.233 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](C)Sc3nncn3C)CC2)s1 ZINC000128718444 532166595 /nfs/dbraw/zinc/16/65/95/532166595.db2.gz BUZAKBIEYUHHRU-ZDUSSCGKSA-N 1 2 379.555 2.264 20 0 GEADLO C[C@@H](NC(=O)NCc1ccc(O)c(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000127636809 532156424 /nfs/dbraw/zinc/15/64/24/532156424.db2.gz IAXNYVCEWDFUTG-NEPJUHHUSA-N 1 2 386.290 2.063 20 0 GEADLO C[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(Br)cn1 ZINC000176956935 532157052 /nfs/dbraw/zinc/15/70/52/532157052.db2.gz YOPITQIKBXTYIV-UHFFFAOYSA-N 1 2 387.278 2.239 20 0 GEADLO C[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(Br)cn1 ZINC000176956935 532157055 /nfs/dbraw/zinc/15/70/55/532157055.db2.gz YOPITQIKBXTYIV-UHFFFAOYSA-N 1 2 387.278 2.239 20 0 GEADLO CNC(=O)[C@H](C)C[N@H+](C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000177040390 532160700 /nfs/dbraw/zinc/16/07/00/532160700.db2.gz SDNKYXCUXQMECE-LLVKDONJSA-N 1 2 381.274 2.237 20 0 GEADLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000177040390 532160703 /nfs/dbraw/zinc/16/07/03/532160703.db2.gz SDNKYXCUXQMECE-LLVKDONJSA-N 1 2 381.274 2.237 20 0 GEADLO CS(=O)(=O)c1ccc(OCCC[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000128100972 532161526 /nfs/dbraw/zinc/16/15/26/532161526.db2.gz RRFIIKKFWSXLJU-UHFFFAOYSA-N 1 2 381.416 2.248 20 0 GEADLO CC(=O)N(c1nc(CN2CCN(C3=[NH+]C[C@@H](C)S3)CC2)cs1)C1CC1 ZINC000177209941 532164396 /nfs/dbraw/zinc/16/43/96/532164396.db2.gz QLRJATYAILNCKR-GFCCVEGCSA-N 1 2 379.555 2.267 20 0 GEADLO CC(C)N1CCC[C@H]([N@H+](C)CC(=O)Nc2ccc(Br)cn2)C1=O ZINC000177702582 532179921 /nfs/dbraw/zinc/17/99/21/532179921.db2.gz YCYUZMUDOMJBLL-ZDUSSCGKSA-N 1 2 383.290 2.114 20 0 GEADLO CC(C)N1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Br)cn2)C1=O ZINC000177702582 532179925 /nfs/dbraw/zinc/17/99/25/532179925.db2.gz YCYUZMUDOMJBLL-ZDUSSCGKSA-N 1 2 383.290 2.114 20 0 GEADLO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000129568575 532180476 /nfs/dbraw/zinc/18/04/76/532180476.db2.gz IFWVSXAYQONOIC-UHFFFAOYSA-N 1 2 380.286 2.311 20 0 GEADLO COc1ccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c(Br)c1 ZINC000129823024 532184987 /nfs/dbraw/zinc/18/49/87/532184987.db2.gz IVHPHQOSUCJIOT-UHFFFAOYSA-N 1 2 395.257 2.141 20 0 GEADLO COC(=O)[C@]1(C)CC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000177441366 532171525 /nfs/dbraw/zinc/17/15/25/532171525.db2.gz GSIOVFYTMLAQAI-OAHLLOKOSA-N 1 2 390.299 2.108 20 0 GEADLO COC(=O)[C@]1(C)CC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000177441366 532171526 /nfs/dbraw/zinc/17/15/26/532171526.db2.gz GSIOVFYTMLAQAI-OAHLLOKOSA-N 1 2 390.299 2.108 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c(Br)c1 ZINC000129881780 532185641 /nfs/dbraw/zinc/18/56/41/532185641.db2.gz PTUAPLIPXPPSFI-UHFFFAOYSA-N 1 2 379.258 2.441 20 0 GEADLO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000177634605 532177608 /nfs/dbraw/zinc/17/76/08/532177608.db2.gz HKNGEDXKJJSHCD-HNNXBMFYSA-N 1 2 383.539 2.389 20 0 GEADLO COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000177634605 532177611 /nfs/dbraw/zinc/17/76/11/532177611.db2.gz HKNGEDXKJJSHCD-HNNXBMFYSA-N 1 2 383.539 2.389 20 0 GEADLO O=C([C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N(CCO)CC[NH+]1CCOCC1 ZINC000130280080 532191015 /nfs/dbraw/zinc/19/10/15/532191015.db2.gz VZJIREDSPUJMBF-IRXDYDNUSA-N 1 2 387.307 2.250 20 0 GEADLO C[C@H]1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000131473181 532198109 /nfs/dbraw/zinc/19/81/09/532198109.db2.gz SGXLTTURYHMEIU-FZMZJTMJSA-N 1 2 394.273 2.459 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1Br ZINC000129903853 532186962 /nfs/dbraw/zinc/18/69/62/532186962.db2.gz DZWOCKSVMGSBRQ-UHFFFAOYSA-N 1 2 379.258 2.441 20 0 GEADLO O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178620277 532207049 /nfs/dbraw/zinc/20/70/49/532207049.db2.gz KLENJNLHWVCKJK-JTQLQIEISA-N 1 2 378.687 2.142 20 0 GEADLO O=C(NCCc1nnc[nH]1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000132056447 532208649 /nfs/dbraw/zinc/20/86/49/532208649.db2.gz FKLMERCVCHXRNO-HNNXBMFYSA-N 1 2 378.274 2.063 20 0 GEADLO Cc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(Br)n1 ZINC000132230009 532212035 /nfs/dbraw/zinc/21/20/35/532212035.db2.gz FCECGSMUPXXWBY-CYBMUJFWSA-N 1 2 383.290 2.481 20 0 GEADLO CCOC(=O)CCCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000132331466 532214081 /nfs/dbraw/zinc/21/40/81/532214081.db2.gz RJAZSTRWFIMGIT-UHFFFAOYSA-N 1 2 388.917 2.380 20 0 GEADLO CN(C)C(=O)N1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000132462867 532216065 /nfs/dbraw/zinc/21/60/65/532216065.db2.gz PONXJNLAHHCQKL-CYBMUJFWSA-N 1 2 376.284 2.032 20 0 GEADLO NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000131719040 532202319 /nfs/dbraw/zinc/20/23/19/532202319.db2.gz ANPWEMJLDAPBBJ-INIZCTEOSA-N 1 2 394.313 2.310 20 0 GEADLO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(OC)c(Br)s2)CC1 ZINC000179407395 532230739 /nfs/dbraw/zinc/23/07/39/532230739.db2.gz NOTXNSVGLFODQU-JTQLQIEISA-N 1 2 377.304 2.048 20 0 GEADLO CCCNC(=O)C1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000179187727 532224737 /nfs/dbraw/zinc/22/47/37/532224737.db2.gz WVNLEWBIQAWKHN-OAHLLOKOSA-N 1 2 382.302 2.214 20 0 GEADLO CN(C)c1[nH+]cccc1NC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000179201939 532224845 /nfs/dbraw/zinc/22/48/45/532224845.db2.gz YIUQQBYUTANDAE-UHFFFAOYSA-N 1 2 391.229 2.395 20 0 GEADLO O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000133923354 532245404 /nfs/dbraw/zinc/24/54/04/532245404.db2.gz MPUWDDALPJBHMI-HUUCEWRRSA-N 1 2 390.311 2.067 20 0 GEADLO NC(=O)CN1CC[NH+](Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000179831542 532246305 /nfs/dbraw/zinc/24/63/05/532246305.db2.gz AOTHKUYSFNEEKZ-UHFFFAOYSA-N 1 2 378.270 2.312 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ncccc1C(F)(F)F ZINC000179986737 532252937 /nfs/dbraw/zinc/25/29/37/532252937.db2.gz MLPSOPFGYHGGMP-OAHLLOKOSA-N 1 2 375.416 2.038 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ncccc1C(F)(F)F ZINC000179986755 532253179 /nfs/dbraw/zinc/25/31/79/532253179.db2.gz MLPSOPFGYHGGMP-HNNXBMFYSA-N 1 2 375.416 2.038 20 0 GEADLO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000179996759 532253229 /nfs/dbraw/zinc/25/32/29/532253229.db2.gz QTQCZNUQGFIMGK-QWRGUYRKSA-N 1 2 389.315 2.017 20 0 GEADLO O=C1NCCCC[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000135285159 532270453 /nfs/dbraw/zinc/27/04/53/532270453.db2.gz JANCGIFXSLREAE-SNVBAGLBSA-N 1 2 377.080 2.365 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134355512 532254843 /nfs/dbraw/zinc/25/48/43/532254843.db2.gz OIVDTVAISZPNHW-KGLIPLIRSA-N 1 2 387.933 2.378 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134355512 532254848 /nfs/dbraw/zinc/25/48/48/532254848.db2.gz OIVDTVAISZPNHW-KGLIPLIRSA-N 1 2 387.933 2.378 20 0 GEADLO C[C@@H]1CN(c2ccc(CNC(=O)c3cccnc3Br)c[nH+]2)CCO1 ZINC000134596097 532258167 /nfs/dbraw/zinc/25/81/67/532258167.db2.gz BSDGORQSUCBXCH-GFCCVEGCSA-N 1 2 391.269 2.394 20 0 GEADLO O=C(c1ccncc1I)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000135396730 532272238 /nfs/dbraw/zinc/27/22/38/532272238.db2.gz XKESADDJEOANJT-GFCCVEGCSA-N 1 2 395.200 2.375 20 0 GEADLO O=S1(=O)CCC[C@@H]([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135302506 532269572 /nfs/dbraw/zinc/26/95/72/532269572.db2.gz NEBFOCZNCNEFTC-SECBINFHSA-N 1 2 398.120 2.273 20 0 GEADLO O=S(=O)([C@@H]1CC[N@@H+](Cc2cc(O)ccc2Br)C1)N1CCCC1 ZINC000180747050 532279674 /nfs/dbraw/zinc/27/96/74/532279674.db2.gz QRBDCVJOONJOND-CQSZACIVSA-N 1 2 389.315 2.155 20 0 GEADLO O=S(=O)([C@@H]1CC[N@H+](Cc2cc(O)ccc2Br)C1)N1CCCC1 ZINC000180747050 532279679 /nfs/dbraw/zinc/27/96/79/532279679.db2.gz QRBDCVJOONJOND-CQSZACIVSA-N 1 2 389.315 2.155 20 0 GEADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccncc1I ZINC000135812407 532279797 /nfs/dbraw/zinc/27/97/97/532279797.db2.gz YPWVKSIQNTVLRU-LLVKDONJSA-N 1 2 394.216 2.090 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135754099 532280111 /nfs/dbraw/zinc/28/01/11/532280111.db2.gz GNCFKJFMLKQGEN-CQSZACIVSA-N 1 2 385.917 2.087 20 0 GEADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135754099 532280112 /nfs/dbraw/zinc/28/01/12/532280112.db2.gz GNCFKJFMLKQGEN-CQSZACIVSA-N 1 2 385.917 2.087 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc3cc(Br)cnc3[nH]2)CC1 ZINC000135782276 532280201 /nfs/dbraw/zinc/28/02/01/532280201.db2.gz KXLUJHSYGMUFPM-SNVBAGLBSA-N 1 2 398.330 2.365 20 0 GEADLO C[C@]1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCCC[NH2+]1 ZINC000180973257 532287263 /nfs/dbraw/zinc/28/72/63/532287263.db2.gz ICUNBOHVDVHXRS-MRXNPFEDSA-N 1 2 380.495 2.415 20 0 GEADLO C[C@@]1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCCC[NH2+]1 ZINC000180973288 532287727 /nfs/dbraw/zinc/28/77/27/532287727.db2.gz ICUNBOHVDVHXRS-INIZCTEOSA-N 1 2 380.495 2.415 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000180475094 532272969 /nfs/dbraw/zinc/27/29/69/532272969.db2.gz HMBNRGXSJVMRNT-CQSZACIVSA-N 1 2 384.318 2.349 20 0 GEADLO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ncc(Br)s1 ZINC000181178727 532292267 /nfs/dbraw/zinc/29/22/67/532292267.db2.gz VEKBZLLVTHKUAD-ZJUUUORDSA-N 1 2 384.303 2.485 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000139188394 532292847 /nfs/dbraw/zinc/29/28/47/532292847.db2.gz FWIZGGLQJRMYTA-UONOGXRCSA-N 1 2 384.318 2.400 20 0 GEADLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000144235678 532296989 /nfs/dbraw/zinc/29/69/89/532296989.db2.gz BGTNJRXBTBFLLW-NSHDSACASA-N 1 2 375.782 2.424 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)[C@@H](C)C1 ZINC000181514770 532300303 /nfs/dbraw/zinc/30/03/03/532300303.db2.gz WZRLXCCAVSFQID-LBPRGKRZSA-N 1 2 392.880 2.045 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)[C@@H](C)C1 ZINC000181514770 532300305 /nfs/dbraw/zinc/30/03/05/532300305.db2.gz WZRLXCCAVSFQID-LBPRGKRZSA-N 1 2 392.880 2.045 20 0 GEADLO C[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccc(Cl)c(Cl)c1 ZINC000181530225 532300680 /nfs/dbraw/zinc/30/06/80/532300680.db2.gz CPMSEZAULXGQLA-MRVPVSSYSA-N 1 2 382.251 2.118 20 0 GEADLO CCN(C(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000181755664 532305813 /nfs/dbraw/zinc/30/58/13/532305813.db2.gz LPUAYVURPVBPBJ-NEPJUHHUSA-N 1 2 376.881 2.165 20 0 GEADLO CCc1nnc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)[nH]1 ZINC000181751155 532305924 /nfs/dbraw/zinc/30/59/24/532305924.db2.gz QUDAOBWDORADQR-LLVKDONJSA-N 1 2 393.289 2.375 20 0 GEADLO CCc1nnc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)[nH]1 ZINC000181751155 532305927 /nfs/dbraw/zinc/30/59/27/532305927.db2.gz QUDAOBWDORADQR-LLVKDONJSA-N 1 2 393.289 2.375 20 0 GEADLO O=S1(=O)CCN(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000181748524 532306207 /nfs/dbraw/zinc/30/62/07/532306207.db2.gz YTZBIVACRPOEDF-UHFFFAOYSA-N 1 2 376.444 2.400 20 0 GEADLO Cc1cc2cc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)oc2c(Br)c1 ZINC000181767636 532306275 /nfs/dbraw/zinc/30/62/75/532306275.db2.gz YVJHKJLNXRPUML-ZDUSSCGKSA-N 1 2 378.270 2.233 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1ccccc1I)C2 ZINC000137468618 532290355 /nfs/dbraw/zinc/29/03/55/532290355.db2.gz SDXKCKGNZYPLPZ-CYBMUJFWSA-N 1 2 395.244 2.470 20 0 GEADLO C[C@H](CNC(=O)CCc1cc(F)ccc1Br)[NH+]1CCN(C)CC1 ZINC000182321525 532311842 /nfs/dbraw/zinc/31/18/42/532311842.db2.gz QQZHFQNHONKSSO-CYBMUJFWSA-N 1 2 386.309 2.273 20 0 GEADLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)CC1 ZINC000182402870 532312990 /nfs/dbraw/zinc/31/29/90/532312990.db2.gz KUUITPUXJSEMPL-CYBMUJFWSA-N 1 2 380.432 2.091 20 0 GEADLO CC[C@H]([NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)c1nccs1 ZINC000185110362 532336929 /nfs/dbraw/zinc/33/69/29/532336929.db2.gz XSFDCEFEEBEYLZ-ZDUSSCGKSA-N 1 2 382.511 2.039 20 0 GEADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000185608996 532338141 /nfs/dbraw/zinc/33/81/41/532338141.db2.gz WJZCIBXHPULUKY-ZMSDIMECSA-N 1 2 384.567 2.384 20 0 GEADLO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000185608996 532338142 /nfs/dbraw/zinc/33/81/42/532338142.db2.gz WJZCIBXHPULUKY-ZMSDIMECSA-N 1 2 384.567 2.384 20 0 GEADLO CCCS(=O)(=O)CC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000186121898 532339854 /nfs/dbraw/zinc/33/98/54/532339854.db2.gz BNEAAWOZPRNJES-AWEZNQCLSA-N 1 2 380.432 2.249 20 0 GEADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000187237629 532343740 /nfs/dbraw/zinc/34/37/40/532343740.db2.gz WMCOOIIPNDOIEA-UHFFFAOYSA-N 1 2 381.947 2.437 20 0 GEADLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cnn(CC(F)F)c1)c1ccccc1Cl ZINC000186251020 532340185 /nfs/dbraw/zinc/34/01/85/532340185.db2.gz JLIFSUIENTVCSR-AWEZNQCLSA-N 1 2 392.859 2.383 20 0 GEADLO COC(=O)C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000187006427 532342989 /nfs/dbraw/zinc/34/29/89/532342989.db2.gz IEQCOIOQYTXOAS-CQSZACIVSA-N 1 2 380.242 2.146 20 0 GEADLO CC[N@@H+]1CCc2nc(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)sc2C1 ZINC000183642899 532327088 /nfs/dbraw/zinc/32/70/88/532327088.db2.gz ADCUHJDRDCDJRT-NSHDSACASA-N 1 2 378.420 2.163 20 0 GEADLO CC[N@H+]1CCc2nc(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)sc2C1 ZINC000183642899 532327090 /nfs/dbraw/zinc/32/70/90/532327090.db2.gz ADCUHJDRDCDJRT-NSHDSACASA-N 1 2 378.420 2.163 20 0 GEADLO CC(C)[C@H]([NH2+]Cc1cncc(Br)c1)c1nc(-c2nc[nH]n2)no1 ZINC000183751470 532329019 /nfs/dbraw/zinc/32/90/19/532329019.db2.gz FZBZZJTYKVHQDO-NSHDSACASA-N 1 2 378.234 2.499 20 0 GEADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CC1 ZINC000184375948 532332458 /nfs/dbraw/zinc/33/24/58/532332458.db2.gz XMHZJJOMOXRQLE-XUWXXGDYSA-N 1 2 379.551 2.407 20 0 GEADLO Cc1cc(NC(=O)C[N@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)no1 ZINC000184948003 532336065 /nfs/dbraw/zinc/33/60/65/532336065.db2.gz NGOVGZNAMSHFKP-ZDUSSCGKSA-N 1 2 386.221 2.489 20 0 GEADLO Cc1cc(NC(=O)C[N@@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)no1 ZINC000184948003 532336067 /nfs/dbraw/zinc/33/60/67/532336067.db2.gz NGOVGZNAMSHFKP-ZDUSSCGKSA-N 1 2 386.221 2.489 20 0 GEADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)s1 ZINC000185032646 532336538 /nfs/dbraw/zinc/33/65/38/532336538.db2.gz UTYRJXWLSFBXMP-SNVBAGLBSA-N 1 2 377.861 2.370 20 0 GEADLO C[C@@H](CNC(=O)c1cc(I)ccc1O)Cn1cc[nH+]c1 ZINC000187943866 532346146 /nfs/dbraw/zinc/34/61/46/532346146.db2.gz QFUFUWDORXFXHD-JTQLQIEISA-N 1 2 385.205 2.259 20 0 GEADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000188318605 532347846 /nfs/dbraw/zinc/34/78/46/532347846.db2.gz BUSOFKSCPFYNCS-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000188318605 532347847 /nfs/dbraw/zinc/34/78/47/532347847.db2.gz BUSOFKSCPFYNCS-NSHDSACASA-N 1 2 381.325 2.459 20 0 GEADLO C[C@H]1C(=O)NCCCN1C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000189238164 532351512 /nfs/dbraw/zinc/35/15/12/532351512.db2.gz KSPOPJCXQPADPV-BBRMVZONSA-N 1 2 394.313 2.323 20 0 GEADLO C[C@H]1C(=O)NCCCN1C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000189238117 532351572 /nfs/dbraw/zinc/35/15/72/532351572.db2.gz KSPOPJCXQPADPV-XJKSGUPXSA-N 1 2 394.313 2.323 20 0 GEADLO C[C@H](c1nnnn1C)N1CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000189424029 532352030 /nfs/dbraw/zinc/35/20/30/532352030.db2.gz BLXBSCDTPIPHPG-QWHCGFSZSA-N 1 2 379.306 2.412 20 0 GEADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCCc1ccc(Br)cc1OC ZINC000189567680 532352769 /nfs/dbraw/zinc/35/27/69/532352769.db2.gz KBKCHRSDYZVAPX-GDBMZVCRSA-N 1 2 386.286 2.389 20 0 GEADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCCc1ccc(Br)cc1OC ZINC000189567680 532352770 /nfs/dbraw/zinc/35/27/70/532352770.db2.gz KBKCHRSDYZVAPX-GDBMZVCRSA-N 1 2 386.286 2.389 20 0 GEADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000189588936 532352842 /nfs/dbraw/zinc/35/28/42/532352842.db2.gz LKSBMZNQNFKTKI-IUODEOHRSA-N 1 2 375.252 2.320 20 0 GEADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000189588936 532352843 /nfs/dbraw/zinc/35/28/43/532352843.db2.gz LKSBMZNQNFKTKI-IUODEOHRSA-N 1 2 375.252 2.320 20 0 GEADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000189588914 532352850 /nfs/dbraw/zinc/35/28/50/532352850.db2.gz LKSBMZNQNFKTKI-DOMZBBRYSA-N 1 2 375.252 2.320 20 0 GEADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000189588914 532352851 /nfs/dbraw/zinc/35/28/51/532352851.db2.gz LKSBMZNQNFKTKI-DOMZBBRYSA-N 1 2 375.252 2.320 20 0 GEADLO CCN1CCC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1=O ZINC000190182058 532355143 /nfs/dbraw/zinc/35/51/43/532355143.db2.gz ZFWZAEQAKYCJNR-CYBMUJFWSA-N 1 2 382.302 2.181 20 0 GEADLO CCN1CCC[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1=O ZINC000190182058 532355144 /nfs/dbraw/zinc/35/51/44/532355144.db2.gz ZFWZAEQAKYCJNR-CYBMUJFWSA-N 1 2 382.302 2.181 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000190833869 532358203 /nfs/dbraw/zinc/35/82/03/532358203.db2.gz QHNHSXWAPZOIAZ-CQSZACIVSA-N 1 2 375.560 2.139 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000190833869 532358204 /nfs/dbraw/zinc/35/82/04/532358204.db2.gz QHNHSXWAPZOIAZ-CQSZACIVSA-N 1 2 375.560 2.139 20 0 GEADLO CCCCCNC(=O)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191307598 532360321 /nfs/dbraw/zinc/36/03/21/532360321.db2.gz QLVWHXBURVIYDL-UHFFFAOYSA-N 1 2 379.452 2.375 20 0 GEADLO CCCCCNC(=O)C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191307598 532360322 /nfs/dbraw/zinc/36/03/22/532360322.db2.gz QLVWHXBURVIYDL-UHFFFAOYSA-N 1 2 379.452 2.375 20 0 GEADLO COc1cc(Cl)c(Br)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000191858453 532372307 /nfs/dbraw/zinc/37/23/07/532372307.db2.gz JXFQOYDHKACRLZ-UHFFFAOYSA-N 1 2 377.666 2.173 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)Cc1cnccn1 ZINC000294628266 532372306 /nfs/dbraw/zinc/37/23/06/532372306.db2.gz AGQANUDVVYDKOS-GFCCVEGCSA-N 1 2 393.285 2.384 20 0 GEADLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+](C)Cc1cnccn1 ZINC000294628266 532372314 /nfs/dbraw/zinc/37/23/14/532372314.db2.gz AGQANUDVVYDKOS-GFCCVEGCSA-N 1 2 393.285 2.384 20 0 GEADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000425202331 532373778 /nfs/dbraw/zinc/37/37/78/532373778.db2.gz KTYVEMLNUILSPB-UHFFFAOYSA-N 1 2 378.897 2.352 20 0 GEADLO CC(C)(C(=O)NC[C@H](CO)Cc1cccc(Br)c1)c1c[nH]c[nH+]1 ZINC000621973762 532375094 /nfs/dbraw/zinc/37/50/94/532375094.db2.gz XIDVLXMQOFXLOC-CYBMUJFWSA-N 1 2 380.286 2.417 20 0 GEADLO Nc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cn1 ZINC000647537844 532375318 /nfs/dbraw/zinc/37/53/18/532375318.db2.gz PMPNXCVSTQEOEV-UHFFFAOYSA-N 1 2 386.930 2.275 20 0 GEADLO Nc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cn1 ZINC000647537844 532375323 /nfs/dbraw/zinc/37/53/23/532375323.db2.gz PMPNXCVSTQEOEV-UHFFFAOYSA-N 1 2 386.930 2.275 20 0 GEADLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191609215 532361605 /nfs/dbraw/zinc/36/16/05/532361605.db2.gz NSOMJYKFHCFPEX-UHFFFAOYSA-N 1 2 384.318 2.242 20 0 GEADLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191609215 532361606 /nfs/dbraw/zinc/36/16/06/532361606.db2.gz NSOMJYKFHCFPEX-UHFFFAOYSA-N 1 2 384.318 2.242 20 0 GEADLO CN(CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)c1ccc(Br)o1 ZINC000589954756 532364658 /nfs/dbraw/zinc/36/46/58/532364658.db2.gz ITOXTBJAMOYZRV-LLVKDONJSA-N 1 2 395.257 2.243 20 0 GEADLO CS(=O)(=O)N[C@H]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000425238024 532378447 /nfs/dbraw/zinc/37/84/47/532378447.db2.gz UGZAKUDVBGETOM-VIFPVBQESA-N 1 2 388.262 2.264 20 0 GEADLO Cc1[nH+]ccn1CCNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000463642680 532378474 /nfs/dbraw/zinc/37/84/74/532378474.db2.gz GQEOTHCDHUQELO-UHFFFAOYSA-N 1 2 395.204 2.102 20 0 GEADLO C[C@@H](CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)S(C)(=O)=O ZINC000677162824 532366423 /nfs/dbraw/zinc/36/64/23/532366423.db2.gz IOMCLWJQJTWRCL-XJKSGUPXSA-N 1 2 387.933 2.209 20 0 GEADLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1cnn(C)c(=O)c1Br ZINC000463078616 532366925 /nfs/dbraw/zinc/36/69/25/532366925.db2.gz YVVCIQOLQKPCSH-UHFFFAOYSA-N 1 2 388.269 2.424 20 0 GEADLO CCOC(=O)c1csc(CCNc2cc(N3CCSCC3)nc[nH+]2)n1 ZINC000277961200 532367030 /nfs/dbraw/zinc/36/70/30/532367030.db2.gz YHAZYGYBINUTFC-UHFFFAOYSA-N 1 2 379.511 2.318 20 0 GEADLO CCOC(=O)c1csc(CCNc2cc(N3CCSCC3)[nH+]cn2)n1 ZINC000277961200 532367035 /nfs/dbraw/zinc/36/70/35/532367035.db2.gz YHAZYGYBINUTFC-UHFFFAOYSA-N 1 2 379.511 2.318 20 0 GEADLO C[C@@]1(CNC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCOC1 ZINC000515602929 532369239 /nfs/dbraw/zinc/36/92/39/532369239.db2.gz BMXQBMWSIYYMBY-INIZCTEOSA-N 1 2 399.289 2.229 20 0 GEADLO COc1ccc(Cl)cc1CS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000590401131 532371422 /nfs/dbraw/zinc/37/14/22/532371422.db2.gz CFAGEVHYNXHJPK-UHFFFAOYSA-N 1 2 381.885 2.396 20 0 GEADLO Cc1cc(NCCNS(=O)(=O)c2ccc(Cl)cc2C)nc(C2CC2)[nH+]1 ZINC000557764338 532371641 /nfs/dbraw/zinc/37/16/41/532371641.db2.gz PLZAZFLIOZVLEV-UHFFFAOYSA-N 1 2 380.901 3.015 20 0 GEADLO COC[C@@H](C)Sc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000463251774 532371845 /nfs/dbraw/zinc/37/18/45/532371845.db2.gz VLHCFTJNUCFQJP-CYBMUJFWSA-N 1 2 383.539 2.307 20 0 GEADLO CSCC[C@H](O)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000590618366 532379814 /nfs/dbraw/zinc/37/98/14/532379814.db2.gz VQULMZGRWIIXNC-HNNXBMFYSA-N 1 2 376.444 2.464 20 0 GEADLO O=S1(=O)CC[C@H](CC[NH+]2CCN(Cc3nc4ccccc4s3)CC2)C1 ZINC000677692851 532380851 /nfs/dbraw/zinc/38/08/51/532380851.db2.gz YYLISKYTZBPDAJ-HNNXBMFYSA-N 1 2 379.551 2.239 20 0 GEADLO Cn1cc(C[NH+]2CCN(C(=O)COc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000463802498 532383551 /nfs/dbraw/zinc/38/35/51/532383551.db2.gz YHCBFHXHCADFSX-UHFFFAOYSA-N 1 2 383.279 2.450 20 0 GEADLO COc1ccccc1N1CC[C@@H]([NH2+]Cc2c(Br)cnn2C)C1=O ZINC000278513099 532383890 /nfs/dbraw/zinc/38/38/90/532383890.db2.gz PAPBSJOOPNPHPY-GFCCVEGCSA-N 1 2 379.258 2.086 20 0 GEADLO C[N@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192075680 532384090 /nfs/dbraw/zinc/38/40/90/532384090.db2.gz URIMKOQCNVHQBO-NEPJUHHUSA-N 1 2 381.192 2.409 20 0 GEADLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192075680 532384096 /nfs/dbraw/zinc/38/40/96/532384096.db2.gz URIMKOQCNVHQBO-NEPJUHHUSA-N 1 2 381.192 2.409 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+](CCC2CCCCC2)CC(N)=O)s1 ZINC000425400993 532384327 /nfs/dbraw/zinc/38/43/27/532384327.db2.gz ZGQJZUXHNNQEPL-UHFFFAOYSA-N 1 2 387.571 2.256 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+](CCC2CCCCC2)CC(N)=O)s1 ZINC000425400993 532384330 /nfs/dbraw/zinc/38/43/30/532384330.db2.gz ZGQJZUXHNNQEPL-UHFFFAOYSA-N 1 2 387.571 2.256 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)SCc2csc(-c3ncccn3)n2)CC1 ZINC000558085623 532385614 /nfs/dbraw/zinc/38/56/14/532385614.db2.gz WPEXOWVLUXFLBK-ZDUSSCGKSA-N 1 2 377.539 2.386 20 0 GEADLO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372323786 532385839 /nfs/dbraw/zinc/38/58/39/532385839.db2.gz DXHXGSLFKLWMQM-VXGBXAGGSA-N 1 2 384.263 2.308 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000463890064 532387051 /nfs/dbraw/zinc/38/70/51/532387051.db2.gz QUYVVRFNEAOKGN-SECBINFHSA-N 1 2 377.304 2.278 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000463890064 532387057 /nfs/dbraw/zinc/38/70/57/532387057.db2.gz QUYVVRFNEAOKGN-SECBINFHSA-N 1 2 377.304 2.278 20 0 GEADLO COc1ccc([C@H](C)NC(=O)NC[C@H]2COCC[N@@H+]2C)cc1Br ZINC000623353496 532387454 /nfs/dbraw/zinc/38/74/54/532387454.db2.gz NSNAXUQPNCQKGI-AAEUAGOBSA-N 1 2 386.290 2.149 20 0 GEADLO COc1ccc([C@H](C)NC(=O)NC[C@H]2COCC[N@H+]2C)cc1Br ZINC000623353496 532387463 /nfs/dbraw/zinc/38/74/63/532387463.db2.gz NSNAXUQPNCQKGI-AAEUAGOBSA-N 1 2 386.290 2.149 20 0 GEADLO COc1ccc(CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c(Br)c1 ZINC000558401897 532390549 /nfs/dbraw/zinc/39/05/49/532390549.db2.gz VTIQEBREIAIHAI-ZDUSSCGKSA-N 1 2 396.329 2.242 20 0 GEADLO CC(C)(CO)[C@@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1cccs1 ZINC000558470791 532392475 /nfs/dbraw/zinc/39/24/75/532392475.db2.gz TVYZPTXYDLCZNX-INIZCTEOSA-N 1 2 379.507 2.419 20 0 GEADLO CN(C)c1cc(NC(=O)[C@H]2CCc3ncncc3C2)[nH+]cc1Br ZINC000648411774 532395782 /nfs/dbraw/zinc/39/57/82/532395782.db2.gz PZEQJNGXTBGDDQ-JTQLQIEISA-N 1 2 376.258 2.444 20 0 GEADLO CN(CC[N@H+](C)Cc1csc(C2CC2)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000295036669 532398039 /nfs/dbraw/zinc/39/80/39/532398039.db2.gz MFUIKEKWSPMQAY-UHFFFAOYSA-N 1 2 380.539 2.236 20 0 GEADLO CN(CC[N@@H+](C)Cc1csc(C2CC2)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000295036669 532398045 /nfs/dbraw/zinc/39/80/45/532398045.db2.gz MFUIKEKWSPMQAY-UHFFFAOYSA-N 1 2 380.539 2.236 20 0 GEADLO C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCS1(=O)=O ZINC000192267287 532398698 /nfs/dbraw/zinc/39/86/98/532398698.db2.gz GHPOTYKOCKAFDH-HUUCEWRRSA-N 1 2 385.555 2.104 20 0 GEADLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(Br)c3c(c1)OCCO3)C2 ZINC000372551596 532397130 /nfs/dbraw/zinc/39/71/30/532397130.db2.gz UYYCLQBZQUFKLN-LBPRGKRZSA-N 1 2 392.253 2.470 20 0 GEADLO C[C@@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)c1cc(F)c(Br)cc1F ZINC000624548257 532397310 /nfs/dbraw/zinc/39/73/10/532397310.db2.gz JIBPHBYDONPOAK-NXEZZACHSA-N 1 2 392.244 2.418 20 0 GEADLO C[C@@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)c1cc(F)c(Br)cc1F ZINC000624548257 532397316 /nfs/dbraw/zinc/39/73/16/532397316.db2.gz JIBPHBYDONPOAK-NXEZZACHSA-N 1 2 392.244 2.418 20 0 GEADLO Cc1cnc(CNC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)s1 ZINC000559415692 532402196 /nfs/dbraw/zinc/40/21/96/532402196.db2.gz KCYKSOQOMITDMS-CQSZACIVSA-N 1 2 380.901 2.140 20 0 GEADLO O=C(C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)Nc1ccc(Br)cc1F ZINC000464797513 532404557 /nfs/dbraw/zinc/40/45/57/532404557.db2.gz XKSJCAYJKZLSFC-INIZCTEOSA-N 1 2 384.249 2.129 20 0 GEADLO O=C(C[N@H+]1CCC[C@]2(CNC(=O)C2)C1)Nc1ccc(Br)cc1F ZINC000464797513 532404566 /nfs/dbraw/zinc/40/45/66/532404566.db2.gz XKSJCAYJKZLSFC-INIZCTEOSA-N 1 2 384.249 2.129 20 0 GEADLO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000679473096 532404918 /nfs/dbraw/zinc/40/49/18/532404918.db2.gz OYYMXZYIOHLSGZ-GJZGRUSLSA-N 1 2 379.309 2.213 20 0 GEADLO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000464770410 532405324 /nfs/dbraw/zinc/40/53/24/532405324.db2.gz KERYCGUPFWUART-YESZJQIVSA-N 1 2 390.615 2.264 20 0 GEADLO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000464770410 532405328 /nfs/dbraw/zinc/40/53/28/532405328.db2.gz KERYCGUPFWUART-YESZJQIVSA-N 1 2 390.615 2.264 20 0 GEADLO CCSCC[C@H](C)[N@H+](C)CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000464852522 532406784 /nfs/dbraw/zinc/40/67/84/532406784.db2.gz OEJNHURSCAYMPM-HOTGVXAUSA-N 1 2 378.604 2.122 20 0 GEADLO CCSCC[C@H](C)[N@@H+](C)CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000464852522 532406790 /nfs/dbraw/zinc/40/67/90/532406790.db2.gz OEJNHURSCAYMPM-HOTGVXAUSA-N 1 2 378.604 2.122 20 0 GEADLO C[C@@H](NCc1ccc(F)cc1I)[C@@H]1C[N@H+](C)CCO1 ZINC000591356029 532409363 /nfs/dbraw/zinc/40/93/63/532409363.db2.gz IKCCXLUTXNIIDC-YGRLFVJLSA-N 1 2 378.229 2.239 20 0 GEADLO C[C@@H](NCc1ccc(F)cc1I)[C@@H]1C[N@@H+](C)CCO1 ZINC000591356029 532409368 /nfs/dbraw/zinc/40/93/68/532409368.db2.gz IKCCXLUTXNIIDC-YGRLFVJLSA-N 1 2 378.229 2.239 20 0 GEADLO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427040656 532409749 /nfs/dbraw/zinc/40/97/49/532409749.db2.gz KNCUJSVRBLLIEQ-LBPRGKRZSA-N 1 2 377.242 2.024 20 0 GEADLO CC(C)(C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)S(C)(=O)=O ZINC000680126830 532410284 /nfs/dbraw/zinc/41/02/84/532410284.db2.gz QBHBTPCARYQMHB-UHFFFAOYSA-N 1 2 377.297 2.487 20 0 GEADLO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1(S(C)(=O)=O)CC1 ZINC000517194077 532408415 /nfs/dbraw/zinc/40/84/15/532408415.db2.gz JDQPQMVKXQJUSL-UONOGXRCSA-N 1 2 385.555 2.150 20 0 GEADLO CC(C)NC(=O)C[NH+]1CCN(Cc2cc(Br)cc(F)c2F)CC1 ZINC000517239291 532411881 /nfs/dbraw/zinc/41/18/81/532411881.db2.gz ODFMKDBALWYZEQ-UHFFFAOYSA-N 1 2 390.272 2.370 20 0 GEADLO Cc1c(Br)ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1F ZINC000192794947 532411965 /nfs/dbraw/zinc/41/19/65/532411965.db2.gz QLDVXKRZYZTILP-UHFFFAOYSA-N 1 2 384.249 2.142 20 0 GEADLO Cc1cc(Br)ccc1C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000517312847 532412889 /nfs/dbraw/zinc/41/28/89/532412889.db2.gz IVWREHLIMDJBSF-UHFFFAOYSA-N 1 2 377.286 2.449 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NCc3cocn3)[nH+]c12 ZINC000680385283 532413105 /nfs/dbraw/zinc/41/31/05/532413105.db2.gz JSUQXWNLWBWKFS-UHFFFAOYSA-N 1 2 378.230 2.435 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000591589081 532414632 /nfs/dbraw/zinc/41/46/32/532414632.db2.gz ZHWHJZXWODRUFD-KCXAZCMYSA-N 1 2 382.302 2.325 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000591589081 532414640 /nfs/dbraw/zinc/41/46/40/532414640.db2.gz ZHWHJZXWODRUFD-KCXAZCMYSA-N 1 2 382.302 2.325 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1ccc(F)cc1Br ZINC000517322897 532413334 /nfs/dbraw/zinc/41/33/34/532413334.db2.gz NVUCKLPSALMEIR-UHFFFAOYSA-N 1 2 383.221 2.320 20 0 GEADLO COC(=O)CN(CC[N@@H+]1CCOC[C@H]1C)Cc1cccc(Br)c1 ZINC000192819157 532413417 /nfs/dbraw/zinc/41/34/17/532413417.db2.gz XZUBXCMSGYRJTJ-CQSZACIVSA-N 1 2 385.302 2.145 20 0 GEADLO COC(=O)CN(CC[N@H+]1CCOC[C@H]1C)Cc1cccc(Br)c1 ZINC000192819157 532413421 /nfs/dbraw/zinc/41/34/21/532413421.db2.gz XZUBXCMSGYRJTJ-CQSZACIVSA-N 1 2 385.302 2.145 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)C3(C(=O)NC4CC4)CC3)[nH+]c12 ZINC000680549474 532417610 /nfs/dbraw/zinc/41/76/10/532417610.db2.gz PGLWWLSQGWGMLE-UHFFFAOYSA-N 1 2 391.269 2.080 20 0 GEADLO O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@H]1CCCCC[NH2+]1 ZINC000372930924 532420848 /nfs/dbraw/zinc/42/08/48/532420848.db2.gz VAYXIJVYPLHAJN-CQSZACIVSA-N 1 2 380.495 2.415 20 0 GEADLO NC(=O)CN1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000193038717 532419170 /nfs/dbraw/zinc/41/91/70/532419170.db2.gz ZJZKBPJVSHOCSH-UHFFFAOYSA-N 1 2 378.270 2.312 20 0 GEADLO Cc1ccc([C@H]([NH2+]CC(=O)N(C)c2nccs2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280956732 532419440 /nfs/dbraw/zinc/41/94/40/532419440.db2.gz YFGVOEPUEYBHAV-CZUORRHYSA-N 1 2 381.523 2.178 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCC3(CO)CCC3)[nH+]c12 ZINC000680614708 532419654 /nfs/dbraw/zinc/41/96/54/532419654.db2.gz VSLLYHCEUNPAQZ-UHFFFAOYSA-N 1 2 381.274 2.367 20 0 GEADLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)NC[C@@H]1CCC[C@H](O)C1 ZINC000465716696 532420118 /nfs/dbraw/zinc/42/01/18/532420118.db2.gz WAASAXKKUYBKJB-RISCZKNCSA-N 1 2 381.274 2.447 20 0 GEADLO CSCc1cnc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)s1 ZINC000295212917 532420210 /nfs/dbraw/zinc/42/02/10/532420210.db2.gz AWDSKEDCEPQDAO-UHFFFAOYSA-N 1 2 379.555 2.382 20 0 GEADLO CCOCC[NH+]1CCN(S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000517707940 532423420 /nfs/dbraw/zinc/42/34/20/532423420.db2.gz YEDBBQILOYMMEI-UHFFFAOYSA-N 1 2 381.523 2.153 20 0 GEADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000591724367 532421280 /nfs/dbraw/zinc/42/12/80/532421280.db2.gz LMFXYNUVUBRMKE-CQSZACIVSA-N 1 2 382.511 2.076 20 0 GEADLO Cc1cc(NC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)ncc1Br ZINC000193352888 532422209 /nfs/dbraw/zinc/42/22/09/532422209.db2.gz UREVAOAATHFUOJ-UHFFFAOYSA-N 1 2 394.273 2.260 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@@H]2CNS(=O)(=O)Cc2csc(C)n2)cc1 ZINC000625405340 532424112 /nfs/dbraw/zinc/42/41/12/532424112.db2.gz GXOFRJAMQPMSFR-MRXNPFEDSA-N 1 2 381.523 2.154 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@@H]2CNS(=O)(=O)Cc2csc(C)n2)cc1 ZINC000625405340 532424117 /nfs/dbraw/zinc/42/41/17/532424117.db2.gz GXOFRJAMQPMSFR-MRXNPFEDSA-N 1 2 381.523 2.154 20 0 GEADLO COc1ccc(C[N@@H+]2CC[C@H]2CNS(=O)(=O)Cc2csc(C)n2)cc1 ZINC000625405338 532424137 /nfs/dbraw/zinc/42/41/37/532424137.db2.gz GXOFRJAMQPMSFR-INIZCTEOSA-N 1 2 381.523 2.154 20 0 GEADLO COc1ccc(C[N@H+]2CC[C@H]2CNS(=O)(=O)Cc2csc(C)n2)cc1 ZINC000625405338 532424142 /nfs/dbraw/zinc/42/41/42/532424142.db2.gz GXOFRJAMQPMSFR-INIZCTEOSA-N 1 2 381.523 2.154 20 0 GEADLO Cc1cnc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(I)c1 ZINC000591820859 532425955 /nfs/dbraw/zinc/42/59/55/532425955.db2.gz JTPDDFSZHSFWLK-ZIAGYGMSSA-N 1 2 387.265 2.030 20 0 GEADLO Brc1cccc2c1OCCN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC000373025889 532426917 /nfs/dbraw/zinc/42/69/17/532426917.db2.gz QAAOSHKBTUKUHP-UHFFFAOYSA-N 1 2 391.269 2.475 20 0 GEADLO Brc1cccc2c1OCCN(c1cc(N3CCOCC3)nc[nH+]1)C2 ZINC000373025889 532426920 /nfs/dbraw/zinc/42/69/20/532426920.db2.gz QAAOSHKBTUKUHP-UHFFFAOYSA-N 1 2 391.269 2.475 20 0 GEADLO Cn1cc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000561048356 532428250 /nfs/dbraw/zinc/42/82/50/532428250.db2.gz MFBHOVPLXSTWDO-UHFFFAOYSA-N 1 2 378.230 2.315 20 0 GEADLO O=C(c1cnccn1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561048374 532428500 /nfs/dbraw/zinc/42/85/00/532428500.db2.gz NLGPXVXIXYSMSU-UHFFFAOYSA-N 1 2 376.214 2.371 20 0 GEADLO C[C@@]1(F)CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000295263530 532427228 /nfs/dbraw/zinc/42/72/28/532427228.db2.gz BXDQLFFVOJNGKL-MRXNPFEDSA-N 1 2 386.265 2.328 20 0 GEADLO C[C@@]1(F)CCC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000295263530 532427235 /nfs/dbraw/zinc/42/72/35/532427235.db2.gz BXDQLFFVOJNGKL-MRXNPFEDSA-N 1 2 386.265 2.328 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000373102560 532432145 /nfs/dbraw/zinc/43/21/45/532432145.db2.gz ATVHCXNCUBWDEN-NSHDSACASA-N 1 2 394.273 2.293 20 0 GEADLO COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCn3cc(C)[nH+]c3C2)c1 ZINC000649909004 532430293 /nfs/dbraw/zinc/43/02/93/532430293.db2.gz HUCVJURGMWHGEH-UHFFFAOYSA-N 1 2 375.372 2.423 20 0 GEADLO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2nnc(-c3ccc(Br)o3)o2)n1 ZINC000626146737 532435750 /nfs/dbraw/zinc/43/57/50/532435750.db2.gz HMYQSAUGDUYWER-QPUJVOFHSA-N 1 2 396.201 2.403 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCc1c[nH]c2c1cccc2Cl ZINC000625683226 532432717 /nfs/dbraw/zinc/43/27/17/532432717.db2.gz KISHBTLMOCUJKS-UHFFFAOYSA-N 1 2 385.917 2.006 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000518036666 532433363 /nfs/dbraw/zinc/43/33/63/532433363.db2.gz YEJDUZZQSLRNOO-XYPHTWIQSA-N 1 2 380.330 2.305 20 0 GEADLO O=c1n2ccccc2nn1CC[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132140 532434376 /nfs/dbraw/zinc/43/43/76/532434376.db2.gz WNGDVTQTVLPMOM-UHFFFAOYSA-N 1 2 391.244 2.456 20 0 GEADLO O=c1n2ccccc2nn1CC[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000626132140 532434385 /nfs/dbraw/zinc/43/43/85/532434385.db2.gz WNGDVTQTVLPMOM-UHFFFAOYSA-N 1 2 391.244 2.456 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)N1CCCN(c2cccc[nH+]2)CC1 ZINC000373157979 532434614 /nfs/dbraw/zinc/43/46/14/532434614.db2.gz IKVCTSWKGZYHKE-UHFFFAOYSA-N 1 2 391.269 2.226 20 0 GEADLO CCSCC[C@@H](C)N(C)C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000561336075 532435193 /nfs/dbraw/zinc/43/51/93/532435193.db2.gz VTXHOUKAYXXIDL-LLVKDONJSA-N 1 2 380.436 2.052 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000193983555 532441398 /nfs/dbraw/zinc/44/13/98/532441398.db2.gz VLJPIVAYCGQKTD-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000193983555 532441401 /nfs/dbraw/zinc/44/14/01/532441401.db2.gz VLJPIVAYCGQKTD-QWHCGFSZSA-N 1 2 380.432 2.089 20 0 GEADLO O=C(C[N@H+]1CC[C@@](O)(C2CC2)C1)Nc1ccccc1I ZINC000373246245 532438271 /nfs/dbraw/zinc/43/82/71/532438271.db2.gz OACSOGQBUKGHHJ-HNNXBMFYSA-N 1 2 386.233 2.077 20 0 GEADLO O=C(C[N@@H+]1CC[C@@](O)(C2CC2)C1)Nc1ccccc1I ZINC000373246245 532438278 /nfs/dbraw/zinc/43/82/78/532438278.db2.gz OACSOGQBUKGHHJ-HNNXBMFYSA-N 1 2 386.233 2.077 20 0 GEADLO Cn1ncc(Br)c1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000295364591 532439514 /nfs/dbraw/zinc/43/95/14/532439514.db2.gz WHMXOOJLYRKLGX-GFCCVEGCSA-N 1 2 387.228 2.494 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000561513890 532441867 /nfs/dbraw/zinc/44/18/67/532441867.db2.gz ODGHEZRZEWTPML-NSHDSACASA-N 1 2 384.299 2.322 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000561513890 532441872 /nfs/dbraw/zinc/44/18/72/532441872.db2.gz ODGHEZRZEWTPML-NSHDSACASA-N 1 2 384.299 2.322 20 0 GEADLO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000467222335 532441982 /nfs/dbraw/zinc/44/19/82/532441982.db2.gz JEANKSMUIJKRPG-UHFFFAOYSA-N 1 2 380.341 2.397 20 0 GEADLO CC[C@@H](CSC)NC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000561665940 532446876 /nfs/dbraw/zinc/44/68/76/532446876.db2.gz YKZXCOZZXCBGQO-AWEZNQCLSA-N 1 2 383.945 2.072 20 0 GEADLO CC[C@@H](CSC)NC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000561665940 532446882 /nfs/dbraw/zinc/44/68/82/532446882.db2.gz YKZXCOZZXCBGQO-AWEZNQCLSA-N 1 2 383.945 2.072 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000518846566 532447783 /nfs/dbraw/zinc/44/77/83/532447783.db2.gz ARQUIODQKFKHLP-GFCCVEGCSA-N 1 2 381.278 2.277 20 0 GEADLO CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000592362626 532451999 /nfs/dbraw/zinc/45/19/99/532451999.db2.gz NFAUKJBLLRUAEZ-HNNXBMFYSA-N 1 2 381.567 2.340 20 0 GEADLO Nc1ccccc1S(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000428409094 532452185 /nfs/dbraw/zinc/45/21/85/532452185.db2.gz ZUUZLIVADRQEOD-MRXNPFEDSA-N 1 2 377.535 2.165 20 0 GEADLO Nc1ccccc1S(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000428409094 532452195 /nfs/dbraw/zinc/45/21/95/532452195.db2.gz ZUUZLIVADRQEOD-MRXNPFEDSA-N 1 2 377.535 2.165 20 0 GEADLO CN(C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C1CC[NH2+]CC1 ZINC000428292050 532449623 /nfs/dbraw/zinc/44/96/23/532449623.db2.gz WWCUOCYBSHBZMX-UHFFFAOYSA-N 1 2 379.507 2.373 20 0 GEADLO CC[C@@](C)([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C(=O)OC ZINC000428305227 532449662 /nfs/dbraw/zinc/44/96/62/532449662.db2.gz ZTFDVBXMCXTKJA-SWLSCSKDSA-N 1 2 378.238 2.259 20 0 GEADLO COCC1(C)CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000519093059 532456802 /nfs/dbraw/zinc/45/68/02/532456802.db2.gz WXGZQDWFHNLHAJ-UHFFFAOYSA-N 1 2 399.289 2.181 20 0 GEADLO O=S(=O)(NCC[N@@H+]1CCCOCC1)c1c(Cl)cccc1Br ZINC000282319171 532456881 /nfs/dbraw/zinc/45/68/81/532456881.db2.gz OJLZWZYACRKISB-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO O=S(=O)(NCC[N@H+]1CCCOCC1)c1c(Cl)cccc1Br ZINC000282319171 532456885 /nfs/dbraw/zinc/45/68/85/532456885.db2.gz OJLZWZYACRKISB-UHFFFAOYSA-N 1 2 397.722 2.103 20 0 GEADLO CC(=O)NCC[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000561934042 532454039 /nfs/dbraw/zinc/45/40/39/532454039.db2.gz IHPJEMVQDVXFGZ-XJKSGUPXSA-N 1 2 382.302 2.214 20 0 GEADLO CC(=O)NCC[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000561934042 532454043 /nfs/dbraw/zinc/45/40/43/532454043.db2.gz IHPJEMVQDVXFGZ-XJKSGUPXSA-N 1 2 382.302 2.214 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)N(CCO)Cc1cc(Br)ccc1F ZINC000194776900 532455494 /nfs/dbraw/zinc/45/54/94/532455494.db2.gz HXDZJTSERCPYPD-UHFFFAOYSA-N 1 2 399.264 2.379 20 0 GEADLO CCOC(=O)C1([S@](C)=O)CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000295535497 532455773 /nfs/dbraw/zinc/45/57/73/532455773.db2.gz JGUCWZCWYYNQNC-BZQUYTCOSA-N 1 2 391.892 2.289 20 0 GEADLO CCOC(=O)C1([S@@](C)=O)CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000295535501 532455869 /nfs/dbraw/zinc/45/58/69/532455869.db2.gz JGUCWZCWYYNQNC-ODCWNRFASA-N 1 2 391.892 2.289 20 0 GEADLO Nc1ncc(Cl)cc1S(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000562005187 532456198 /nfs/dbraw/zinc/45/61/98/532456198.db2.gz IJLCVADMFCTNMF-UHFFFAOYSA-N 1 2 377.857 2.041 20 0 GEADLO CNS(=O)(=O)CCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428785823 532461993 /nfs/dbraw/zinc/46/19/93/532461993.db2.gz REDYUFMPCNSQQN-WFASDCNBSA-N 1 2 380.432 2.407 20 0 GEADLO CNS(=O)(=O)CCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428785823 532461997 /nfs/dbraw/zinc/46/19/97/532461997.db2.gz REDYUFMPCNSQQN-WFASDCNBSA-N 1 2 380.432 2.407 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000519332618 532461347 /nfs/dbraw/zinc/46/13/47/532461347.db2.gz NQLHPBVLBHVNLR-OAHLLOKOSA-N 1 2 392.301 2.303 20 0 GEADLO C[C@H]1CC[N@H+](CC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000519422443 532464461 /nfs/dbraw/zinc/46/44/61/532464461.db2.gz VGJQDWMLXKNNKI-NSHDSACASA-N 1 2 378.274 2.192 20 0 GEADLO C[C@H]1CC[N@@H+](CC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000519422443 532464465 /nfs/dbraw/zinc/46/44/65/532464465.db2.gz VGJQDWMLXKNNKI-NSHDSACASA-N 1 2 378.274 2.192 20 0 GEADLO C[C@H]1CC[N@H+](CC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000519422443 532464469 /nfs/dbraw/zinc/46/44/69/532464469.db2.gz VGJQDWMLXKNNKI-NSHDSACASA-N 1 2 378.274 2.192 20 0 GEADLO C[C@H]1CC[N@@H+](CC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000519422443 532464473 /nfs/dbraw/zinc/46/44/73/532464473.db2.gz VGJQDWMLXKNNKI-NSHDSACASA-N 1 2 378.274 2.192 20 0 GEADLO C[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ncc(Br)cn1 ZINC000562407833 532465254 /nfs/dbraw/zinc/46/52/54/532465254.db2.gz HNPVLHVMNZTMOZ-MNOVXSKESA-N 1 2 379.262 2.233 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)NCc1ccc(F)cc1Br ZINC000195047818 532465391 /nfs/dbraw/zinc/46/53/91/532465391.db2.gz ZJTLVFZBOZXCHV-UHFFFAOYSA-N 1 2 382.189 2.247 20 0 GEADLO CO[C@@H](C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)c1cnn(C)c1 ZINC000282425487 532466361 /nfs/dbraw/zinc/46/63/61/532466361.db2.gz RKKNPOAEZBANSE-CQSZACIVSA-N 1 2 392.257 2.143 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)COc1ccc(I)cc1 ZINC000295697026 532470038 /nfs/dbraw/zinc/47/00/38/532470038.db2.gz IOHQYPDNWVRTAJ-UHFFFAOYSA-N 1 2 385.205 2.203 20 0 GEADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC(=O)N(C2CC2)C1 ZINC000468702125 532471174 /nfs/dbraw/zinc/47/11/74/532471174.db2.gz JXVXMHUTSUVFMX-KRWDZBQOSA-N 1 2 392.297 2.377 20 0 GEADLO O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC(=O)N(C2CC2)C1 ZINC000468702126 532471548 /nfs/dbraw/zinc/47/15/48/532471548.db2.gz JXVXMHUTSUVFMX-QGZVFWFLSA-N 1 2 392.297 2.377 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000593149234 532471846 /nfs/dbraw/zinc/47/18/46/532471846.db2.gz ZCIWKUOIOBSMRB-JKSUJKDBSA-N 1 2 384.307 2.377 20 0 GEADLO Cn1cc(S(=O)(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc1Cl ZINC000282504863 532472637 /nfs/dbraw/zinc/47/26/37/532472637.db2.gz ZEQVLWBKXKPNFX-GFCCVEGCSA-N 1 2 383.905 2.175 20 0 GEADLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc(Br)c1O ZINC000683884500 532467368 /nfs/dbraw/zinc/46/73/68/532467368.db2.gz LWYDSORWANEVLO-LBPRGKRZSA-N 1 2 383.286 2.480 20 0 GEADLO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cccc(Br)c1O ZINC000683884500 532467370 /nfs/dbraw/zinc/46/73/70/532467370.db2.gz LWYDSORWANEVLO-LBPRGKRZSA-N 1 2 383.286 2.480 20 0 GEADLO O=C(Nc1nnc2ccc(Br)cn21)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000295871737 532483567 /nfs/dbraw/zinc/48/35/67/532483567.db2.gz LMWWBIIEHWGNKQ-CYBMUJFWSA-N 1 2 394.273 2.074 20 0 GEADLO O=C(Nc1nnc2ccc(Br)cn21)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000295871737 532483572 /nfs/dbraw/zinc/48/35/72/532483572.db2.gz LMWWBIIEHWGNKQ-CYBMUJFWSA-N 1 2 394.273 2.074 20 0 GEADLO O=C(N1CCC[C@@H]1C[NH+]1CCOCC1)C1(c2cncc(Br)c2)CC1 ZINC000282633381 532484350 /nfs/dbraw/zinc/48/43/50/532484350.db2.gz GHYWVFRRLGBWMT-MRXNPFEDSA-N 1 2 394.313 2.199 20 0 GEADLO O[C@@H](CN1CCC[C@H]1c1ccc(Br)c(F)c1)C[NH+]1CCOCC1 ZINC000374033741 532486511 /nfs/dbraw/zinc/48/65/11/532486511.db2.gz NCEWBWDTLHUGNU-PBHICJAKSA-N 1 2 387.293 2.418 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)c1c(O)cnc2c(Br)cccc21 ZINC000520295857 532489470 /nfs/dbraw/zinc/48/94/70/532489470.db2.gz AAWQTLVVQAMABA-UHFFFAOYSA-N 1 2 375.226 2.409 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1Br ZINC000629438110 532492333 /nfs/dbraw/zinc/49/23/33/532492333.db2.gz CQZXBILFNQGFIS-HNNXBMFYSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1Br ZINC000629438110 532492337 /nfs/dbraw/zinc/49/23/37/532492337.db2.gz CQZXBILFNQGFIS-HNNXBMFYSA-N 1 2 390.281 2.475 20 0 GEADLO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000685437124 532492912 /nfs/dbraw/zinc/49/29/12/532492912.db2.gz MYBYCFNIKBHYOG-CQSZACIVSA-N 1 2 391.331 2.314 20 0 GEADLO COc1ccc(Br)c(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000685437124 532492918 /nfs/dbraw/zinc/49/29/18/532492918.db2.gz MYBYCFNIKBHYOG-CQSZACIVSA-N 1 2 391.331 2.314 20 0 GEADLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)Nc1cccc(I)c1 ZINC000430275523 532493551 /nfs/dbraw/zinc/49/35/51/532493551.db2.gz KKVQGMHXJDIWKM-KGLIPLIRSA-N 1 2 386.233 2.483 20 0 GEADLO O=C(C[N@H+]1CCO[C@H]2CCC[C@H]21)Nc1cccc(I)c1 ZINC000430275523 532493556 /nfs/dbraw/zinc/49/35/56/532493556.db2.gz KKVQGMHXJDIWKM-KGLIPLIRSA-N 1 2 386.233 2.483 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(I)cc1 ZINC000469173214 532493906 /nfs/dbraw/zinc/49/39/06/532493906.db2.gz JWWBSSIRPIWUGR-LBPRGKRZSA-N 1 2 388.249 2.084 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000469166147 532494501 /nfs/dbraw/zinc/49/45/01/532494501.db2.gz YLFPUBOXAPTTKH-IHRRRGAJSA-N 1 2 390.933 2.467 20 0 GEADLO COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000469166147 532494507 /nfs/dbraw/zinc/49/45/07/532494507.db2.gz YLFPUBOXAPTTKH-IHRRRGAJSA-N 1 2 390.933 2.467 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3C[C@H](O)C3(C)C)[nH+]c12 ZINC000430308707 532495704 /nfs/dbraw/zinc/49/57/04/532495704.db2.gz UMEMNLQKBUVQMD-OLZOCXBDSA-N 1 2 381.274 2.364 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1 ZINC000563036729 532495846 /nfs/dbraw/zinc/49/58/46/532495846.db2.gz MJCLOLQKDBXFLW-AWEZNQCLSA-N 1 2 392.301 2.303 20 0 GEADLO COc1ccc(Br)c(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1 ZINC000374257380 532495954 /nfs/dbraw/zinc/49/59/54/532495954.db2.gz YMLAHZMDOBIAEG-CQSZACIVSA-N 1 2 389.315 2.114 20 0 GEADLO COc1ccc(Br)c(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1 ZINC000374257380 532495958 /nfs/dbraw/zinc/49/59/58/532495958.db2.gz YMLAHZMDOBIAEG-CQSZACIVSA-N 1 2 389.315 2.114 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000520647569 532497396 /nfs/dbraw/zinc/49/73/96/532497396.db2.gz VEZKZJKMRWLDTH-NSHDSACASA-N 1 2 394.273 2.141 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3C[C@@H](O)C3(C)C)[nH+]c12 ZINC000430308706 532496078 /nfs/dbraw/zinc/49/60/78/532496078.db2.gz UMEMNLQKBUVQMD-CHWSQXEVSA-N 1 2 381.274 2.364 20 0 GEADLO O=C(C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)Nc1ccc(Br)cc1F ZINC000373839226 532473790 /nfs/dbraw/zinc/47/37/90/532473790.db2.gz MAYXXCPBDMROPX-UHFFFAOYSA-N 1 2 398.236 2.230 20 0 GEADLO Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628920388 532476178 /nfs/dbraw/zinc/47/61/78/532476178.db2.gz WOTKGGNNSLFEOA-CQSZACIVSA-N 1 2 394.269 2.473 20 0 GEADLO Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628920388 532476186 /nfs/dbraw/zinc/47/61/86/532476186.db2.gz WOTKGGNNSLFEOA-CQSZACIVSA-N 1 2 394.269 2.473 20 0 GEADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(Br)cc(Br)c1 ZINC000628920920 532476427 /nfs/dbraw/zinc/47/64/27/532476427.db2.gz ZIPYZUWGTUGVCQ-GFCCVEGCSA-N 1 2 392.091 2.272 20 0 GEADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc(Br)cc(Br)c1 ZINC000628920920 532476435 /nfs/dbraw/zinc/47/64/35/532476435.db2.gz ZIPYZUWGTUGVCQ-GFCCVEGCSA-N 1 2 392.091 2.272 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c(Cl)c1 ZINC000563435049 532505618 /nfs/dbraw/zinc/50/56/18/532505618.db2.gz AHRCGFUPIARHIQ-CYBMUJFWSA-N 1 2 388.917 2.222 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)c(Cl)c1 ZINC000563435049 532505622 /nfs/dbraw/zinc/50/56/22/532505622.db2.gz AHRCGFUPIARHIQ-CYBMUJFWSA-N 1 2 388.917 2.222 20 0 GEADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000469594233 532505761 /nfs/dbraw/zinc/50/57/61/532505761.db2.gz DPQGVKMRTMDXOL-LLVKDONJSA-N 1 2 379.258 2.378 20 0 GEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374467140 532505796 /nfs/dbraw/zinc/50/57/96/532505796.db2.gz AKFCLVANTWFICD-SMDDNHRTSA-N 1 2 382.873 2.094 20 0 GEADLO Cc1nc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)sc1S(N)(=O)=O ZINC000374522130 532507564 /nfs/dbraw/zinc/50/75/64/532507564.db2.gz RUVUPCPKBCVXQF-UHFFFAOYSA-N 1 2 377.495 2.359 20 0 GEADLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccc(Cl)nc1Cl ZINC000282990620 532510931 /nfs/dbraw/zinc/51/09/31/532510931.db2.gz DYODTGTTYFNIFU-LBPRGKRZSA-N 1 2 375.300 2.371 20 0 GEADLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1ccc(Cl)nc1Cl ZINC000282990620 532510934 /nfs/dbraw/zinc/51/09/34/532510934.db2.gz DYODTGTTYFNIFU-LBPRGKRZSA-N 1 2 375.300 2.371 20 0 GEADLO CCOc1cc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc(Cl)c1O ZINC000563872570 532511169 /nfs/dbraw/zinc/51/11/69/532511169.db2.gz XCRRGQCEEWSTPQ-UHFFFAOYSA-N 1 2 388.917 2.444 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)c1ccc(Cl)cc1 ZINC000283005398 532512586 /nfs/dbraw/zinc/51/25/86/532512586.db2.gz RMVDHFDNPCCKHM-CVEARBPZSA-N 1 2 384.929 2.274 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1ncc(C(F)(F)F)s1 ZINC000374687516 532513963 /nfs/dbraw/zinc/51/39/63/532513963.db2.gz RWYGPKJNWIXTLB-CYBMUJFWSA-N 1 2 396.460 2.491 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)Cc1ccccc1I)CC2 ZINC000374709737 532515273 /nfs/dbraw/zinc/51/52/73/532515273.db2.gz AHVMJHCJDVWDQN-UHFFFAOYSA-N 1 2 381.217 2.381 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000564086913 532515562 /nfs/dbraw/zinc/51/55/62/532515562.db2.gz WHFQOMYGQRJMAE-WDEREUQCSA-N 1 2 389.905 2.020 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000564086913 532515568 /nfs/dbraw/zinc/51/55/68/532515568.db2.gz WHFQOMYGQRJMAE-WDEREUQCSA-N 1 2 389.905 2.020 20 0 GEADLO Nc1ccc(NC(=O)CCN2C(=O)COc3cc(Br)ccc32)c[nH+]1 ZINC000237973459 532515605 /nfs/dbraw/zinc/51/56/05/532515605.db2.gz OCGQZDNGVJPMQP-UHFFFAOYSA-N 1 2 391.225 2.181 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000564086908 532516044 /nfs/dbraw/zinc/51/60/44/532516044.db2.gz WHFQOMYGQRJMAE-GHMZBOCLSA-N 1 2 389.905 2.020 20 0 GEADLO COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000564086908 532516055 /nfs/dbraw/zinc/51/60/55/532516055.db2.gz WHFQOMYGQRJMAE-GHMZBOCLSA-N 1 2 389.905 2.020 20 0 GEADLO Cc1cc(C)c(S(=O)(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)s1 ZINC000431537087 532516269 /nfs/dbraw/zinc/51/62/69/532516269.db2.gz NKNSNDFBOHYZKV-HNNXBMFYSA-N 1 2 384.523 2.467 20 0 GEADLO COCC[N@H+](C)Cc1cn(Cc2ccccc2I)nn1 ZINC000594654609 532517006 /nfs/dbraw/zinc/51/70/06/532517006.db2.gz YKNFKDQZNYVFEW-UHFFFAOYSA-N 1 2 386.237 2.009 20 0 GEADLO COCC[N@@H+](C)Cc1cn(Cc2ccccc2I)nn1 ZINC000594654609 532517014 /nfs/dbraw/zinc/51/70/14/532517014.db2.gz YKNFKDQZNYVFEW-UHFFFAOYSA-N 1 2 386.237 2.009 20 0 GEADLO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000521645519 532517597 /nfs/dbraw/zinc/51/75/97/532517597.db2.gz HXIXNDKWLURQAM-UHFFFAOYSA-N 1 2 377.344 2.036 20 0 GEADLO COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000521645519 532517605 /nfs/dbraw/zinc/51/76/05/532517605.db2.gz HXIXNDKWLURQAM-UHFFFAOYSA-N 1 2 377.344 2.036 20 0 GEADLO OCCCOC1CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000685838158 532498777 /nfs/dbraw/zinc/49/87/77/532498777.db2.gz UKFCWEVHYJIHBI-UHFFFAOYSA-N 1 2 395.301 2.393 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000685845846 532499686 /nfs/dbraw/zinc/49/96/86/532499686.db2.gz OKQFLBFWHBTVPB-UHFFFAOYSA-N 1 2 387.933 2.147 20 0 GEADLO O=C(CC[C@H]1CCOC1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000520983059 532502086 /nfs/dbraw/zinc/50/20/86/532502086.db2.gz OKBKXNRDIAZYIY-LBPRGKRZSA-N 1 2 384.274 2.436 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000630925644 532535295 /nfs/dbraw/zinc/53/52/95/532535295.db2.gz KDZOQPFYNUPLDQ-OAHLLOKOSA-N 1 2 392.301 2.405 20 0 GEADLO C[C@H](NC(=O)Cc1csc(CCC(F)(F)F)n1)[C@H](C)[NH+]1CCOCC1 ZINC000630936551 532536416 /nfs/dbraw/zinc/53/64/16/532536416.db2.gz VRGSSERWSBSTOX-RYUDHWBXSA-N 1 2 379.448 2.406 20 0 GEADLO C[C@@H](NC(=O)c1ccc2cncc(Br)c2n1)[C@@H](C)[NH+]1CCOCC1 ZINC000630934187 532536770 /nfs/dbraw/zinc/53/67/70/532536770.db2.gz GSGXICUUEOTNFF-VXGBXAGGSA-N 1 2 393.285 2.231 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000246323775 532537501 /nfs/dbraw/zinc/53/75/01/532537501.db2.gz YZUCXZHAOCTJRA-RYUDHWBXSA-N 1 2 381.325 2.459 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC[N@H+]1C[C@H](C)O ZINC000246323775 532537508 /nfs/dbraw/zinc/53/75/08/532537508.db2.gz YZUCXZHAOCTJRA-RYUDHWBXSA-N 1 2 381.325 2.459 20 0 GEADLO O[C@H](CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C[NH+]1CCOCC1 ZINC000246321080 532537625 /nfs/dbraw/zinc/53/76/25/532537625.db2.gz HXMRWXHAOBRGNF-YVEFUNNKSA-N 1 2 393.286 2.199 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246496480 532539203 /nfs/dbraw/zinc/53/92/03/532539203.db2.gz ATIUUJWYWFZLNE-IHRRRGAJSA-N 1 2 385.302 2.442 20 0 GEADLO CCN1CCN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000526077567 532539318 /nfs/dbraw/zinc/53/93/18/532539318.db2.gz OTGYFRGTNRSHOC-OAHLLOKOSA-N 1 2 392.301 2.490 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[NH+](CCCCOC(C)(C)C)CC2)cs1 ZINC000470923302 532539527 /nfs/dbraw/zinc/53/95/27/532539527.db2.gz JZMCZVWLQNFVIU-UHFFFAOYSA-N 1 2 375.560 2.353 20 0 GEADLO CN(C)c1cc(NC(=O)N(C)Cc2nnc3n2CCC3)[nH+]cc1Br ZINC000653654119 532539954 /nfs/dbraw/zinc/53/99/54/532539954.db2.gz VMQYBYDXGRTMJE-UHFFFAOYSA-N 1 2 394.277 2.112 20 0 GEADLO COC(=O)c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000375187999 532541415 /nfs/dbraw/zinc/54/14/15/532541415.db2.gz LTBDHFVPZFIBCB-NSHDSACASA-N 1 2 383.857 2.179 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000564967484 532541443 /nfs/dbraw/zinc/54/14/43/532541443.db2.gz ZWORLZPUCKGWJX-GFCCVEGCSA-N 1 2 385.686 2.425 20 0 GEADLO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c(Cl)s1 ZINC000375195662 532542426 /nfs/dbraw/zinc/54/24/26/532542426.db2.gz DVRYJEVBZNUSOO-MRVPVSSYSA-N 1 2 395.915 2.054 20 0 GEADLO C[C@H](C[C@H](C)[NH3+])NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000565004043 532542868 /nfs/dbraw/zinc/54/28/68/532542868.db2.gz MSUAYZQRGUSFJT-QWHCGFSZSA-N 1 2 381.523 2.333 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+]Cc3ncc(Br)cc3Cl)C2=O)n(C)n1 ZINC000631086141 532543019 /nfs/dbraw/zinc/54/30/19/532543019.db2.gz YVHZJNXOGRVGBA-GFCCVEGCSA-N 1 2 398.692 2.435 20 0 GEADLO CS(=O)(=O)c1cccc(Br)c1NCCCC[NH+]1CCOCC1 ZINC000283508869 532543478 /nfs/dbraw/zinc/54/34/78/532543478.db2.gz JKGORFFRGMOEHA-UHFFFAOYSA-N 1 2 391.331 2.377 20 0 GEADLO C[C@@](CO)([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1ccc(Br)cc1 ZINC000631133542 532543773 /nfs/dbraw/zinc/54/37/73/532543773.db2.gz KCLSJCXQEFWFGI-DYVFJYSZSA-N 1 2 395.301 2.074 20 0 GEADLO O=C(N[C@@H](c1nccs1)C(F)(F)F)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000296811899 532544743 /nfs/dbraw/zinc/54/47/43/532544743.db2.gz ICULYWYYQFBBST-NEPJUHHUSA-N 1 2 378.420 2.253 20 0 GEADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)Cc2ccc(Cl)nc2)C[C@H](C)O1 ZINC000245200859 532520168 /nfs/dbraw/zinc/52/01/68/532520168.db2.gz VVKLZNFTQRZJME-IJEWVQPXSA-N 1 2 387.933 2.138 20 0 GEADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)Cc2ccc(Cl)nc2)C[C@H](C)O1 ZINC000245200859 532520171 /nfs/dbraw/zinc/52/01/71/532520171.db2.gz VVKLZNFTQRZJME-IJEWVQPXSA-N 1 2 387.933 2.138 20 0 GEADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245550299 532521943 /nfs/dbraw/zinc/52/19/43/532521943.db2.gz HLRATZYBZUGTIR-HOTGVXAUSA-N 1 2 382.917 2.414 20 0 GEADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245550299 532521951 /nfs/dbraw/zinc/52/19/51/532521951.db2.gz HLRATZYBZUGTIR-HOTGVXAUSA-N 1 2 382.917 2.414 20 0 GEADLO CN(C[C@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3n2C)C1)S(C)(=O)=O ZINC000564313151 532522105 /nfs/dbraw/zinc/52/21/05/532522105.db2.gz YMXVZOKLOFTGAP-CYBMUJFWSA-N 1 2 384.933 2.330 20 0 GEADLO CN(C[C@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3n2C)C1)S(C)(=O)=O ZINC000564313151 532522110 /nfs/dbraw/zinc/52/21/10/532522110.db2.gz YMXVZOKLOFTGAP-CYBMUJFWSA-N 1 2 384.933 2.330 20 0 GEADLO O=C(c1csc(CO)n1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000630500317 532522776 /nfs/dbraw/zinc/52/27/76/532522776.db2.gz MAGXZQNJDDKRIA-UHFFFAOYSA-N 1 2 381.885 2.126 20 0 GEADLO CCNC(=O)C[NH+]1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000470173588 532523185 /nfs/dbraw/zinc/52/31/85/532523185.db2.gz CZGHIDWDHNDZHV-UHFFFAOYSA-N 1 2 391.313 2.251 20 0 GEADLO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000630617073 532523212 /nfs/dbraw/zinc/52/32/12/532523212.db2.gz WZUJHWNERXQDSZ-UHFFFAOYSA-N 1 2 391.269 2.211 20 0 GEADLO C[C@@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)c1[nH]cc[nH+]1 ZINC000564375150 532523253 /nfs/dbraw/zinc/52/32/53/532523253.db2.gz ALEZTYSPOFUYOD-GHMZBOCLSA-N 1 2 377.242 2.403 20 0 GEADLO CNC(=O)CN1CCC[N@H+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000374900486 532523679 /nfs/dbraw/zinc/52/36/79/532523679.db2.gz UXOIYXQXJPNWTK-UHFFFAOYSA-N 1 2 391.313 2.251 20 0 GEADLO CNC(=O)CN1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000374900486 532523685 /nfs/dbraw/zinc/52/36/85/532523685.db2.gz UXOIYXQXJPNWTK-UHFFFAOYSA-N 1 2 391.313 2.251 20 0 GEADLO CN(C)c1nc(C[NH2+]CC2(S(C)(=O)=O)CC2)c(Cl)n1-c1ccccc1 ZINC000283183434 532523925 /nfs/dbraw/zinc/52/39/25/532523925.db2.gz ZVUWZQLWPJSYNT-UHFFFAOYSA-N 1 2 382.917 2.259 20 0 GEADLO O=C(NCCNc1ncc(Cl)cc1Cl)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523372785 532525733 /nfs/dbraw/zinc/52/57/33/532525733.db2.gz ZICAJDDBMJBVFY-UHFFFAOYSA-N 1 2 378.223 2.206 20 0 GEADLO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(NS(C)(=O)=O)cc1 ZINC000432782194 532545022 /nfs/dbraw/zinc/54/50/22/532545022.db2.gz WFRSKQILEXVWEI-JTQLQIEISA-N 1 2 387.303 2.405 20 0 GEADLO O=C(NCC[NH+]1CCOCC1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000432074937 532527317 /nfs/dbraw/zinc/52/73/17/532527317.db2.gz DKKSFLTXQPRDLC-INIZCTEOSA-N 1 2 396.329 2.355 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)COc2ccc(F)cc2Br)CCO1 ZINC000470436106 532528160 /nfs/dbraw/zinc/52/81/60/532528160.db2.gz AXODELCMDVHYFQ-ZDUSSCGKSA-N 1 2 389.265 2.194 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)COc2ccc(F)cc2Br)CCO1 ZINC000470436106 532528165 /nfs/dbraw/zinc/52/81/65/532528165.db2.gz AXODELCMDVHYFQ-ZDUSSCGKSA-N 1 2 389.265 2.194 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)[C@H]2COc3ccc(Br)cc32)CCO1 ZINC000470454039 532528774 /nfs/dbraw/zinc/52/87/74/532528774.db2.gz SCNGTPWSSFEARK-HIFRSBDPSA-N 1 2 383.286 2.152 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@H]2COc3ccc(Br)cc32)CCO1 ZINC000470454039 532528781 /nfs/dbraw/zinc/52/87/81/532528781.db2.gz SCNGTPWSSFEARK-HIFRSBDPSA-N 1 2 383.286 2.152 20 0 GEADLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc3c(c(Br)c2)OCO3)CCO1 ZINC000470441155 532528960 /nfs/dbraw/zinc/52/89/60/532528960.db2.gz UGGAIQCLKGZRFA-GFCCVEGCSA-N 1 2 385.258 2.018 20 0 GEADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc3c(c(Br)c2)OCO3)CCO1 ZINC000470441155 532528967 /nfs/dbraw/zinc/52/89/67/532528967.db2.gz UGGAIQCLKGZRFA-GFCCVEGCSA-N 1 2 385.258 2.018 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)[C@H](C)Oc2ccccc2Br)CCO1 ZINC000470451845 532529142 /nfs/dbraw/zinc/52/91/42/532529142.db2.gz NQRSPCXDCZKLJL-KBPBESRZSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)[C@H](C)Oc2ccccc2Br)CCO1 ZINC000470451845 532529145 /nfs/dbraw/zinc/52/91/45/532529145.db2.gz NQRSPCXDCZKLJL-KBPBESRZSA-N 1 2 385.302 2.443 20 0 GEADLO CC[C@H]1C[N@H+](CCNC(=O)CSc2ccc(C(F)(F)F)cn2)CCO1 ZINC000470443903 532529271 /nfs/dbraw/zinc/52/92/71/532529271.db2.gz BRVMFCJZYUBCFI-ZDUSSCGKSA-N 1 2 377.432 2.420 20 0 GEADLO CC[C@H]1C[N@@H+](CCNC(=O)CSc2ccc(C(F)(F)F)cn2)CCO1 ZINC000470443903 532529279 /nfs/dbraw/zinc/52/92/79/532529279.db2.gz BRVMFCJZYUBCFI-ZDUSSCGKSA-N 1 2 377.432 2.420 20 0 GEADLO CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H](C)CS(C)(=O)=O ZINC000564751624 532531119 /nfs/dbraw/zinc/53/11/19/532531119.db2.gz WMTGWMXJYFRJGJ-CJNGLKHVSA-N 1 2 389.949 2.407 20 0 GEADLO CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000283624343 532550075 /nfs/dbraw/zinc/55/00/75/532550075.db2.gz HOWMOSNEHKWPOV-SWLSCSKDSA-N 1 2 375.922 2.065 20 0 GEADLO COCc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000432987986 532551306 /nfs/dbraw/zinc/55/13/06/532551306.db2.gz WUDXFSPBAWHCBK-LBPRGKRZSA-N 1 2 393.285 2.353 20 0 GEADLO COc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000432992867 532551935 /nfs/dbraw/zinc/55/19/35/532551935.db2.gz QDTUOESSQFBPAO-NSHDSACASA-N 1 2 379.258 2.215 20 0 GEADLO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ncc(Br)cn1 ZINC000432982142 532552086 /nfs/dbraw/zinc/55/20/86/532552086.db2.gz BJSYCACOUSKBIJ-LLVKDONJSA-N 1 2 399.314 2.340 20 0 GEADLO C[C@@H]([NH2+]CC(=O)NCCOc1ccc(F)cc1)c1ncc(Br)cn1 ZINC000433006123 532553415 /nfs/dbraw/zinc/55/34/15/532553415.db2.gz FMCXKVMBDHFRRI-LLVKDONJSA-N 1 2 397.248 2.224 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000248659889 532555904 /nfs/dbraw/zinc/55/59/04/532555904.db2.gz VLJPIVAYCGQKTD-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000248659889 532555908 /nfs/dbraw/zinc/55/59/08/532555908.db2.gz VLJPIVAYCGQKTD-OLZOCXBDSA-N 1 2 380.432 2.089 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000631689251 532556133 /nfs/dbraw/zinc/55/61/33/532556133.db2.gz YPYRDJLIIDVCBX-TZMCWYRMSA-N 1 2 376.931 2.127 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000631689251 532556136 /nfs/dbraw/zinc/55/61/36/532556136.db2.gz YPYRDJLIIDVCBX-TZMCWYRMSA-N 1 2 376.931 2.127 20 0 GEADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000631682636 532556152 /nfs/dbraw/zinc/55/61/52/532556152.db2.gz MKTNWAPLQLBKJW-CXAGYDPISA-N 1 2 398.575 2.418 20 0 GEADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000631682636 532556154 /nfs/dbraw/zinc/55/61/54/532556154.db2.gz MKTNWAPLQLBKJW-CXAGYDPISA-N 1 2 398.575 2.418 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248888268 532556538 /nfs/dbraw/zinc/55/65/38/532556538.db2.gz FHTJIWOKBMSRMB-AAEUAGOBSA-N 1 2 383.495 2.311 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654375035 532559667 /nfs/dbraw/zinc/55/96/67/532559667.db2.gz QGUNTZQMJCASTL-ZDUSSCGKSA-N 1 2 398.301 2.074 20 0 GEADLO COC(=O)C[N@H+](Cc1cccc(Br)c1)C[C@H](OC)[C@@H]1CCOC1 ZINC000595457295 532564991 /nfs/dbraw/zinc/56/49/91/532564991.db2.gz IZXFITCCNGQINA-ZBFHGGJFSA-N 1 2 386.286 2.476 20 0 GEADLO COC(=O)C[N@@H+](Cc1cccc(Br)c1)C[C@H](OC)[C@@H]1CCOC1 ZINC000595457295 532564995 /nfs/dbraw/zinc/56/49/95/532564995.db2.gz IZXFITCCNGQINA-ZBFHGGJFSA-N 1 2 386.286 2.476 20 0 GEADLO COC(=O)CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)ccc2Br)C1=O ZINC000595455335 532565829 /nfs/dbraw/zinc/56/58/29/532565829.db2.gz SEQYYKJCVSIVMD-OAHLLOKOSA-N 1 2 399.285 2.054 20 0 GEADLO COC(=O)CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccc2Br)C1=O ZINC000595455335 532565834 /nfs/dbraw/zinc/56/58/34/532565834.db2.gz SEQYYKJCVSIVMD-OAHLLOKOSA-N 1 2 399.285 2.054 20 0 GEADLO C[C@@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1nc(-c2ccccc2)cs1 ZINC000631918416 532566706 /nfs/dbraw/zinc/56/67/06/532566706.db2.gz BWTBGRJIPXJGNJ-HIFRSBDPSA-N 1 2 381.523 2.121 20 0 GEADLO C[C@@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1nc(-c2ccccc2)cs1 ZINC000631918416 532566708 /nfs/dbraw/zinc/56/67/08/532566708.db2.gz BWTBGRJIPXJGNJ-HIFRSBDPSA-N 1 2 381.523 2.121 20 0 GEADLO Cc1ccc([C@@H]([NH2+]Cc2coc(S(C)(=O)=O)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000528490193 532566942 /nfs/dbraw/zinc/56/69/42/532566942.db2.gz SRCVWCZEOKIGHV-DYVFJYSZSA-N 1 2 385.507 2.256 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000528504083 532568162 /nfs/dbraw/zinc/56/81/62/532568162.db2.gz BCCHJKFZSBNRGC-UHFFFAOYSA-N 1 2 393.336 2.161 20 0 GEADLO C[C@]1(Br)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000528524859 532568698 /nfs/dbraw/zinc/56/86/98/532568698.db2.gz BWZRHWCUAGXIBL-JZXOWHBKSA-N 1 2 381.314 2.220 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1)C1CC1 ZINC000528504592 532568710 /nfs/dbraw/zinc/56/87/10/532568710.db2.gz PVTVXEQONMEUJY-LBPRGKRZSA-N 1 2 377.432 2.394 20 0 GEADLO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1)C1CC1 ZINC000528504592 532568717 /nfs/dbraw/zinc/56/87/17/532568717.db2.gz PVTVXEQONMEUJY-LBPRGKRZSA-N 1 2 377.432 2.394 20 0 GEADLO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2ccncc2Br)c1 ZINC000631149809 532545921 /nfs/dbraw/zinc/54/59/21/532545921.db2.gz KJYCFWXRVPIFMU-UHFFFAOYSA-N 1 2 384.299 2.384 20 0 GEADLO Cc1nc2[nH]ccc2c(N2CCC(NS(=O)(=O)c3cccs3)CC2)[nH+]1 ZINC000471244424 532546140 /nfs/dbraw/zinc/54/61/40/532546140.db2.gz OBYSAXQLDQDLCF-UHFFFAOYSA-N 1 2 377.495 2.275 20 0 GEADLO C[C@@H](CNC(=O)C(=O)c1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654057289 532546617 /nfs/dbraw/zinc/54/66/17/532546617.db2.gz IEHRBOLXKSLREC-RWMBFGLXSA-N 1 2 383.286 2.246 20 0 GEADLO C[C@@H](CNC(=O)C(=O)c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654057289 532546621 /nfs/dbraw/zinc/54/66/21/532546621.db2.gz IEHRBOLXKSLREC-RWMBFGLXSA-N 1 2 383.286 2.246 20 0 GEADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)c(F)cc1O ZINC000296843985 532547698 /nfs/dbraw/zinc/54/76/98/532547698.db2.gz SWUHISGBYQXEHZ-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(Br)c(F)cc1O ZINC000296843985 532547702 /nfs/dbraw/zinc/54/77/02/532547702.db2.gz SWUHISGBYQXEHZ-JTQLQIEISA-N 1 2 389.265 2.211 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000471311838 532548638 /nfs/dbraw/zinc/54/86/38/532548638.db2.gz MPHOFMCLCSAQNQ-HUUCEWRRSA-N 1 2 388.555 2.021 20 0 GEADLO CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000471311838 532548641 /nfs/dbraw/zinc/54/86/41/532548641.db2.gz MPHOFMCLCSAQNQ-HUUCEWRRSA-N 1 2 388.555 2.021 20 0 GEADLO Cc1c(Br)cc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1Br ZINC000375306658 532549317 /nfs/dbraw/zinc/54/93/17/532549317.db2.gz DBAHBWOPRPIGBV-GHMZBOCLSA-N 1 2 379.092 2.448 20 0 GEADLO Cc1c(Br)cc(C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1Br ZINC000375306658 532549321 /nfs/dbraw/zinc/54/93/21/532549321.db2.gz DBAHBWOPRPIGBV-GHMZBOCLSA-N 1 2 379.092 2.448 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)s2)CC1 ZINC000248011870 532549642 /nfs/dbraw/zinc/54/96/42/532549642.db2.gz CANIQTMFFDKVDO-LLVKDONJSA-N 1 2 388.331 2.022 20 0 GEADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)s2)CC1 ZINC000248011870 532549648 /nfs/dbraw/zinc/54/96/48/532549648.db2.gz CANIQTMFFDKVDO-LLVKDONJSA-N 1 2 388.331 2.022 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000375899797 532585463 /nfs/dbraw/zinc/58/54/63/532585463.db2.gz FANTUBPWVAKXQU-CQSZACIVSA-N 1 2 377.242 2.040 20 0 GEADLO CCCCn1cc(S(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)c(C)n1 ZINC000632180536 532586495 /nfs/dbraw/zinc/58/64/95/532586495.db2.gz CDTSUJLNIWTCKR-UHFFFAOYSA-N 1 2 379.408 2.229 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000473261261 532587053 /nfs/dbraw/zinc/58/70/53/532587053.db2.gz TYPSFGSOCRGJCC-NSHDSACASA-N 1 2 381.274 2.118 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000284335270 532587202 /nfs/dbraw/zinc/58/72/02/532587202.db2.gz BUKLAZSQVRPOQB-NEPJUHHUSA-N 1 2 399.314 2.466 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000284335270 532587210 /nfs/dbraw/zinc/58/72/10/532587210.db2.gz BUKLAZSQVRPOQB-NEPJUHHUSA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@H]2CC[N@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000284335270 532587215 /nfs/dbraw/zinc/58/72/15/532587215.db2.gz BUKLAZSQVRPOQB-NEPJUHHUSA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@H]2CC[N@@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000284335270 532587224 /nfs/dbraw/zinc/58/72/24/532587224.db2.gz BUKLAZSQVRPOQB-NEPJUHHUSA-N 1 2 399.314 2.466 20 0 GEADLO O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000566012212 532587435 /nfs/dbraw/zinc/58/74/35/532587435.db2.gz VJIYVLDPXHEXQV-ABAIWWIYSA-N 1 2 382.233 2.197 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1sccc1Br ZINC000434099078 532587586 /nfs/dbraw/zinc/58/75/86/532587586.db2.gz WDHOJZZOHAHPCJ-NSHDSACASA-N 1 2 376.320 2.373 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000284335279 532587718 /nfs/dbraw/zinc/58/77/18/532587718.db2.gz BUKLAZSQVRPOQB-RYUDHWBXSA-N 1 2 399.314 2.466 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000284335279 532587723 /nfs/dbraw/zinc/58/77/23/532587723.db2.gz BUKLAZSQVRPOQB-RYUDHWBXSA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@H]2CC[N@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000284335279 532587729 /nfs/dbraw/zinc/58/77/29/532587729.db2.gz BUKLAZSQVRPOQB-RYUDHWBXSA-N 1 2 399.314 2.466 20 0 GEADLO CN1CCO[C@H]2CC[N@@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000284335279 532587736 /nfs/dbraw/zinc/58/77/36/532587736.db2.gz BUKLAZSQVRPOQB-RYUDHWBXSA-N 1 2 399.314 2.466 20 0 GEADLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1ccc(Br)cn1 ZINC000284346039 532588448 /nfs/dbraw/zinc/58/84/48/532588448.db2.gz XYCSFNDCCMODIZ-GLQYFDAESA-N 1 2 383.290 2.020 20 0 GEADLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccc(Br)cn1 ZINC000284346039 532588453 /nfs/dbraw/zinc/58/84/53/532588453.db2.gz XYCSFNDCCMODIZ-GLQYFDAESA-N 1 2 383.290 2.020 20 0 GEADLO CC(C)NS(=O)(=O)N1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000566023880 532588568 /nfs/dbraw/zinc/58/85/68/532588568.db2.gz VQINZMYSPJRNIM-UHFFFAOYSA-N 1 2 396.340 2.233 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000566054316 532590668 /nfs/dbraw/zinc/59/06/68/532590668.db2.gz JGMWEYVHUIXBIT-VVLHAWIVSA-N 1 2 394.313 2.467 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000566054316 532590673 /nfs/dbraw/zinc/59/06/73/532590673.db2.gz JGMWEYVHUIXBIT-VVLHAWIVSA-N 1 2 394.313 2.467 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000434275296 532590698 /nfs/dbraw/zinc/59/06/98/532590698.db2.gz HKBOVTJYOTZTTL-GFCCVEGCSA-N 1 2 391.299 2.129 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1Br ZINC000284466165 532594239 /nfs/dbraw/zinc/59/42/39/532594239.db2.gz ASCWVXOFIRYTQN-DZGCQCFKSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1Br ZINC000284466165 532594249 /nfs/dbraw/zinc/59/42/49/532594249.db2.gz ASCWVXOFIRYTQN-DZGCQCFKSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1Br ZINC000284466172 532594921 /nfs/dbraw/zinc/59/49/21/532594921.db2.gz ASCWVXOFIRYTQN-HIFRSBDPSA-N 1 2 384.274 2.395 20 0 GEADLO COc1ccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1Br ZINC000284466172 532594924 /nfs/dbraw/zinc/59/49/24/532594924.db2.gz ASCWVXOFIRYTQN-HIFRSBDPSA-N 1 2 384.274 2.395 20 0 GEADLO O=S(=O)(NCCNc1cccc[nH+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000472319320 532570973 /nfs/dbraw/zinc/57/09/73/532570973.db2.gz UVKJSQFOFNXFDX-UHFFFAOYSA-N 1 2 375.372 2.413 20 0 GEADLO Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000375642564 532571193 /nfs/dbraw/zinc/57/11/93/532571193.db2.gz OKNPFTMGAQPXNY-UHFFFAOYSA-N 1 2 388.225 2.369 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000595803302 532574366 /nfs/dbraw/zinc/57/43/66/532574366.db2.gz TXGJLPKOHQLLNB-SJKOYZFVSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000595803302 532574373 /nfs/dbraw/zinc/57/43/73/532574373.db2.gz TXGJLPKOHQLLNB-SJKOYZFVSA-N 1 2 392.279 2.387 20 0 GEADLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1csc(Br)c1)[NH+]1CCN(C)CC1 ZINC000528567258 532574512 /nfs/dbraw/zinc/57/45/12/532574512.db2.gz SWNALHMBQGTWHF-FPMFFAJLSA-N 1 2 386.359 2.366 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC(C)(F)F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000632023956 532574807 /nfs/dbraw/zinc/57/48/07/532574807.db2.gz ZEWFDXQQJHTTTD-GDBMZVCRSA-N 1 2 376.469 2.241 20 0 GEADLO C[C@@H](NS(=O)(=O)CCC(C)(F)F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000632023956 532574811 /nfs/dbraw/zinc/57/48/11/532574811.db2.gz ZEWFDXQQJHTTTD-GDBMZVCRSA-N 1 2 376.469 2.241 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000595803301 532575079 /nfs/dbraw/zinc/57/50/79/532575079.db2.gz TXGJLPKOHQLLNB-SJCJKPOMSA-N 1 2 392.279 2.387 20 0 GEADLO COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000595803301 532575083 /nfs/dbraw/zinc/57/50/83/532575083.db2.gz TXGJLPKOHQLLNB-SJCJKPOMSA-N 1 2 392.279 2.387 20 0 GEADLO Nc1cc(Br)ccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000261721831 532577560 /nfs/dbraw/zinc/57/75/60/532577560.db2.gz QSSZIYCKALJSEM-UHFFFAOYSA-N 1 2 391.269 2.193 20 0 GEADLO COc1ccc(S(=O)(=O)N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000375711965 532578378 /nfs/dbraw/zinc/57/83/78/532578378.db2.gz QDIISXISTXLWRB-OAHLLOKOSA-N 1 2 385.873 2.206 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000375712167 532578469 /nfs/dbraw/zinc/57/84/69/532578469.db2.gz VKMLUAWXLADIOB-LSDHHAIUSA-N 1 2 386.880 2.245 20 0 GEADLO Cc1cnn(C)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000375712167 532578476 /nfs/dbraw/zinc/57/84/76/532578476.db2.gz VKMLUAWXLADIOB-LSDHHAIUSA-N 1 2 386.880 2.245 20 0 GEADLO C[C@]1(CO)C[N@@H+](Cc2ccc(I)cc2)C[C@@]1(C)CO ZINC000528754093 532579921 /nfs/dbraw/zinc/57/99/21/532579921.db2.gz VYMZJSPNTKBMDX-GASCZTMLSA-N 1 2 375.250 2.104 20 0 GEADLO C[C@]1(CO)C[N@H+](Cc2ccc(I)cc2)C[C@@]1(C)CO ZINC000528754093 532579926 /nfs/dbraw/zinc/57/99/26/532579926.db2.gz VYMZJSPNTKBMDX-GASCZTMLSA-N 1 2 375.250 2.104 20 0 GEADLO COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000261964309 532580197 /nfs/dbraw/zinc/58/01/97/532580197.db2.gz HOZXBNYJZCVVGA-OAHLLOKOSA-N 1 2 380.901 2.411 20 0 GEADLO C[C@]1(CO)C[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@@]1(C)CO ZINC000528755943 532580568 /nfs/dbraw/zinc/58/05/68/532580568.db2.gz XGPYFCQTINEVCO-NXHRZFHOSA-N 1 2 387.307 2.412 20 0 GEADLO C[C@]1(CO)C[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C[C@@]1(C)CO ZINC000528755943 532580569 /nfs/dbraw/zinc/58/05/69/532580569.db2.gz XGPYFCQTINEVCO-NXHRZFHOSA-N 1 2 387.307 2.412 20 0 GEADLO CSCC1(CCNC(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000597173353 532614552 /nfs/dbraw/zinc/61/45/52/532614552.db2.gz LYCZWIJFDBQQPE-UHFFFAOYSA-N 1 2 380.901 2.253 20 0 GEADLO Nc1nc(NC[C@H](CO)Cc2cccc(Br)c2)[nH+]c2ccccc12 ZINC000566538945 532615287 /nfs/dbraw/zinc/61/52/87/532615287.db2.gz FYOJFIVOQDYWSN-CYBMUJFWSA-N 1 2 387.281 2.660 20 0 GEADLO Ic1cccc2ncnc(N3CC(n4cc[nH+]c4)C3)c12 ZINC000566534718 532616127 /nfs/dbraw/zinc/61/61/27/532616127.db2.gz DGHDHVUEPDAAEG-UHFFFAOYSA-N 1 2 377.189 2.492 20 0 GEADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N(C)Cc2nccs2)CC1 ZINC000297998687 532617034 /nfs/dbraw/zinc/61/70/34/532617034.db2.gz RRSXXPBUMBMBKX-ZDUSSCGKSA-N 1 2 378.523 2.068 20 0 GEADLO COc1cc(S(=O)(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)ccc1Cl ZINC000632502303 532616967 /nfs/dbraw/zinc/61/69/67/532616967.db2.gz MHCYTVQFUVNUMR-HZPDHXFCSA-N 1 2 388.917 2.126 20 0 GEADLO O=C(NCc1cc(Br)cc2c1OCC2)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000566568430 532617609 /nfs/dbraw/zinc/61/76/09/532617609.db2.gz QMVLUWXVVPYLML-ZDUSSCGKSA-N 1 2 391.269 2.464 20 0 GEADLO O=C(NCc1cc(Br)cc2c1OCC2)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000566568430 532617618 /nfs/dbraw/zinc/61/76/18/532617618.db2.gz QMVLUWXVVPYLML-ZDUSSCGKSA-N 1 2 391.269 2.464 20 0 GEADLO CC1(C)[C@H](NS(=O)(=O)Cc2cc(F)ccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000632503085 532618022 /nfs/dbraw/zinc/61/80/22/532618022.db2.gz VADCFMARVOPTFL-HZPDHXFCSA-N 1 2 390.908 2.398 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000298029452 532619052 /nfs/dbraw/zinc/61/90/52/532619052.db2.gz GNHQZZZYXCONDY-CYBMUJFWSA-N 1 2 395.301 2.316 20 0 GEADLO COc1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)c(Br)c1 ZINC000530431076 532619270 /nfs/dbraw/zinc/61/92/70/532619270.db2.gz STTFRMFZXSORSS-UHFFFAOYSA-N 1 2 388.287 2.413 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(F)c1 ZINC000530429808 532619393 /nfs/dbraw/zinc/61/93/93/532619393.db2.gz HRIOZAVOXMYVBT-CQSZACIVSA-N 1 2 386.470 2.255 20 0 GEADLO CNS(=O)(=O)c1cccc2c1CC[N@H+](C[C@@H](O)c1cccc(Cl)c1)C2 ZINC000284787266 532620569 /nfs/dbraw/zinc/62/05/69/532620569.db2.gz NSAHRRDRDFXZKD-QGZVFWFLSA-N 1 2 380.897 2.340 20 0 GEADLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@@H](O)c1cccc(Cl)c1)C2 ZINC000284787266 532620573 /nfs/dbraw/zinc/62/05/73/532620573.db2.gz NSAHRRDRDFXZKD-QGZVFWFLSA-N 1 2 380.897 2.340 20 0 GEADLO CCN(CCS(C)(=O)=O)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000297560138 532596102 /nfs/dbraw/zinc/59/61/02/532596102.db2.gz RVBQRGMFQGMABA-MRXNPFEDSA-N 1 2 387.571 2.087 20 0 GEADLO O=C(NCCCCn1cc(Br)cn1)C1([NH+]2CCOCC2)CCCC1 ZINC000376127525 532597531 /nfs/dbraw/zinc/59/75/31/532597531.db2.gz CSQYFXDPEMYSBR-UHFFFAOYSA-N 1 2 399.333 2.187 20 0 GEADLO COc1cc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)ccc1Br ZINC000284539814 532599394 /nfs/dbraw/zinc/59/93/94/532599394.db2.gz HHUWXSOIFHISRA-KGLIPLIRSA-N 1 2 384.274 2.395 20 0 GEADLO COc1cc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1Br ZINC000284539814 532599400 /nfs/dbraw/zinc/59/94/00/532599400.db2.gz HHUWXSOIFHISRA-KGLIPLIRSA-N 1 2 384.274 2.395 20 0 GEADLO O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000566199495 532600476 /nfs/dbraw/zinc/60/04/76/532600476.db2.gz ZTSMYKCTFNVERG-LBPRGKRZSA-N 1 2 380.495 2.272 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ncc(Cl)cc2Br)C1 ZINC000529520778 532607053 /nfs/dbraw/zinc/60/70/53/532607053.db2.gz SLUXADRJDYYGMV-SNVBAGLBSA-N 1 2 396.738 2.259 20 0 GEADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Br)C1 ZINC000529520778 532607060 /nfs/dbraw/zinc/60/70/60/532607060.db2.gz SLUXADRJDYYGMV-SNVBAGLBSA-N 1 2 396.738 2.259 20 0 GEADLO O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000632385026 532607571 /nfs/dbraw/zinc/60/75/71/532607571.db2.gz XYTCUIHIJBGIHN-ZDUSSCGKSA-N 1 2 378.416 2.191 20 0 GEADLO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000376340359 532608543 /nfs/dbraw/zinc/60/85/43/532608543.db2.gz KONDNVKSJHCALA-OAHLLOKOSA-N 1 2 391.331 2.152 20 0 GEADLO COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H]1c1cccc(Br)c1 ZINC000376340359 532608548 /nfs/dbraw/zinc/60/85/48/532608548.db2.gz KONDNVKSJHCALA-OAHLLOKOSA-N 1 2 391.331 2.152 20 0 GEADLO O=S(=O)(C1CC1)N1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000529640321 532610279 /nfs/dbraw/zinc/61/02/79/532610279.db2.gz KKHNJNVWVGTBOF-UHFFFAOYSA-N 1 2 380.901 2.340 20 0 GEADLO Cn1c[nH+]c2c1CCN(S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C2 ZINC000376369380 532610488 /nfs/dbraw/zinc/61/04/88/532610488.db2.gz VTGKSIPGZRODLN-UHFFFAOYSA-N 1 2 379.335 2.205 20 0 GEADLO COCC[N@@H+](C[C@@H](O)C(F)(F)F)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000656267075 532610886 /nfs/dbraw/zinc/61/08/86/532610886.db2.gz QDZCQACBXWEKBN-IUODEOHRSA-N 1 2 383.432 2.065 20 0 GEADLO COCC[N@H+](C[C@@H](O)C(F)(F)F)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000656267075 532610893 /nfs/dbraw/zinc/61/08/93/532610893.db2.gz QDZCQACBXWEKBN-IUODEOHRSA-N 1 2 383.432 2.065 20 0 GEADLO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263019670 532611011 /nfs/dbraw/zinc/61/10/11/532611011.db2.gz QSOIODBVELTBOG-CYBMUJFWSA-N 1 2 392.233 2.275 20 0 GEADLO COC(=O)c1oc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1C ZINC000597117343 532612418 /nfs/dbraw/zinc/61/24/18/532612418.db2.gz OKFMXEIGXZWONW-ZDUSSCGKSA-N 1 2 381.226 2.453 20 0 GEADLO COc1cc(F)c(Br)cc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000566494824 532613038 /nfs/dbraw/zinc/61/30/38/532613038.db2.gz QFCBULZZWMRUDU-UHFFFAOYSA-N 1 2 390.234 2.039 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCc1c(Cl)cccc1Cl ZINC000656298952 532613272 /nfs/dbraw/zinc/61/32/72/532613272.db2.gz WCAGRLQXZQXRCO-GFCCVEGCSA-N 1 2 383.279 2.444 20 0 GEADLO CC1(C)[C@@H](O)CCN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000566721915 532624956 /nfs/dbraw/zinc/62/49/56/532624956.db2.gz DFMNKPBEDWZFBG-ZDUSSCGKSA-N 1 2 399.289 2.058 20 0 GEADLO Cc1nc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)ccc1I ZINC000597687894 532625211 /nfs/dbraw/zinc/62/52/11/532625211.db2.gz RIHCEPNJFLRTDX-NXEZZACHSA-N 1 2 382.205 2.470 20 0 GEADLO Cc1ncc(CNC(=O)C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)s1 ZINC000284856509 532625972 /nfs/dbraw/zinc/62/59/72/532625972.db2.gz FFJLPRMJJAFILX-LBPRGKRZSA-N 1 2 378.523 2.035 20 0 GEADLO NC(=O)C1(CNc2cc[nH+]c3c(Br)ccc(F)c23)CCOCC1 ZINC000376755394 532627840 /nfs/dbraw/zinc/62/78/40/532627840.db2.gz VZBKKKCPKUUKBS-UHFFFAOYSA-N 1 2 382.233 2.252 20 0 GEADLO C[NH+]1CCN(CCC(C)(C)NC(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000474801099 532628663 /nfs/dbraw/zinc/62/86/63/532628663.db2.gz PWVYWKXGOPNOHC-UHFFFAOYSA-N 1 2 396.329 2.164 20 0 GEADLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)nc1C ZINC000376777916 532628931 /nfs/dbraw/zinc/62/89/31/532628931.db2.gz MMEUDTBOBKPHIX-AWEZNQCLSA-N 1 2 381.885 2.387 20 0 GEADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@](C)(O)COC)CC1 ZINC000530781387 532629182 /nfs/dbraw/zinc/62/91/82/532629182.db2.gz JRNHDCKUEYGSHO-SJLPKXTDSA-N 1 2 399.329 2.442 20 0 GEADLO O=C(NCCn1cc(Br)cn1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376836388 532631683 /nfs/dbraw/zinc/63/16/83/532631683.db2.gz ZHMCKHJPHJJRCD-AWEZNQCLSA-N 1 2 393.289 2.009 20 0 GEADLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000436441087 532632790 /nfs/dbraw/zinc/63/27/90/532632790.db2.gz DLMULFLTMNFOPQ-QWHCGFSZSA-N 1 2 390.237 2.464 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CCNC(=O)CCn1cc[nH+]c1 ZINC000263670416 532633608 /nfs/dbraw/zinc/63/36/08/532633608.db2.gz FISYWXAOJKPOBL-UHFFFAOYSA-N 1 2 379.258 2.489 20 0 GEADLO CC(C)[NH+]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000656872100 532636024 /nfs/dbraw/zinc/63/60/24/532636024.db2.gz VUVOZQMTJIBQIW-UHFFFAOYSA-N 1 2 379.295 2.444 20 0 GEADLO C[C@H](O)CCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000475044737 532637359 /nfs/dbraw/zinc/63/73/59/532637359.db2.gz BNLBUBAYGKPWMW-LBPRGKRZSA-N 1 2 381.325 2.461 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(C)c(Br)c2)C1 ZINC000567027393 532637495 /nfs/dbraw/zinc/63/74/95/532637495.db2.gz OUMLDQMKWPFYOI-HNNXBMFYSA-N 1 2 397.313 2.301 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(C)c(Br)c2)C1 ZINC000567027393 532637497 /nfs/dbraw/zinc/63/74/97/532637497.db2.gz OUMLDQMKWPFYOI-HNNXBMFYSA-N 1 2 397.313 2.301 20 0 GEADLO Cc1nc(N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ccc1Br ZINC000567079288 532639671 /nfs/dbraw/zinc/63/96/71/532639671.db2.gz CAJRKLFLGJBGGO-ZDUSSCGKSA-N 1 2 378.274 2.489 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[NH+](Cc3cc(C)c(O)c(C)c3)CC2)cs1 ZINC000567085297 532639797 /nfs/dbraw/zinc/63/97/97/532639797.db2.gz YFGRSLWCJRRJOY-UHFFFAOYSA-N 1 2 381.523 2.280 20 0 GEADLO CC(C)[C@@H]1CC[N@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000532038759 532643333 /nfs/dbraw/zinc/64/33/33/532643333.db2.gz UUFOPOKPJAUCNZ-CVEARBPZSA-N 1 2 384.567 2.242 20 0 GEADLO CC(C)[C@@H]1CC[N@@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000532038759 532643339 /nfs/dbraw/zinc/64/33/39/532643339.db2.gz UUFOPOKPJAUCNZ-CVEARBPZSA-N 1 2 384.567 2.242 20 0 GEADLO CCn1cc[nH+]c1CNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000298360329 532644583 /nfs/dbraw/zinc/64/45/83/532644583.db2.gz IBIXKIMWLUVFPV-UHFFFAOYSA-N 1 2 381.230 2.394 20 0 GEADLO Cc1nc(N2CC[N@@H+](C)[C@H](c3ccccc3Cl)C2)sc1S(N)(=O)=O ZINC000377137643 532645518 /nfs/dbraw/zinc/64/55/18/532645518.db2.gz ACCWENFPWYUWGR-ZDUSSCGKSA-N 1 2 386.930 2.245 20 0 GEADLO Cc1nc(N2CC[N@H+](C)[C@H](c3ccccc3Cl)C2)sc1S(N)(=O)=O ZINC000377137643 532645525 /nfs/dbraw/zinc/64/55/25/532645525.db2.gz ACCWENFPWYUWGR-ZDUSSCGKSA-N 1 2 386.930 2.245 20 0 GEADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000567734343 532660277 /nfs/dbraw/zinc/66/02/77/532660277.db2.gz DLKGGAKSCBZPQT-INIZCTEOSA-N 1 2 386.470 2.010 20 0 GEADLO O=S(=O)(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cncc(Cl)c1 ZINC000533177160 532662088 /nfs/dbraw/zinc/66/20/88/532662088.db2.gz XABZUWUWQQEHLV-UHFFFAOYSA-N 1 2 381.885 2.411 20 0 GEADLO NC(=O)[C@H]1C[N@@H+]([C@@H](Cc2ccccn2)c2ccc(Br)cc2)CCO1 ZINC000377629748 532665054 /nfs/dbraw/zinc/66/50/54/532665054.db2.gz SPCVYKCUCHSWSZ-DLBZAZTESA-N 1 2 390.281 2.314 20 0 GEADLO NC(=O)[C@H]1C[N@H+]([C@@H](Cc2ccccn2)c2ccc(Br)cc2)CCO1 ZINC000377629748 532665058 /nfs/dbraw/zinc/66/50/58/532665058.db2.gz SPCVYKCUCHSWSZ-DLBZAZTESA-N 1 2 390.281 2.314 20 0 GEADLO COCCOCC[NH2+][C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000599594131 532667977 /nfs/dbraw/zinc/66/79/77/532667977.db2.gz JWVNKFQUWNLCOR-QGZVFWFLSA-N 1 2 386.286 2.102 20 0 GEADLO O=C(Nc1cc(Br)cnc1-n1cccn1)N1CCn2c[nH+]cc2C1 ZINC000377742898 532668142 /nfs/dbraw/zinc/66/81/42/532668142.db2.gz IHNZSNJQQNYDNY-UHFFFAOYSA-N 1 2 388.229 2.274 20 0 GEADLO COc1ccc(CCC(=O)N(C)CC[NH+]2CCOCC2)cc1Br ZINC000263884462 532647282 /nfs/dbraw/zinc/64/72/82/532647282.db2.gz RIEREHKCPOBNPD-UHFFFAOYSA-N 1 2 385.302 2.181 20 0 GEADLO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436987371 532648125 /nfs/dbraw/zinc/64/81/25/532648125.db2.gz HTFQBPFWVBTKDW-LLVKDONJSA-N 1 2 388.281 2.050 20 0 GEADLO O=C(Cc1ccc(Br)cc1O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000477368027 532649516 /nfs/dbraw/zinc/64/95/16/532649516.db2.gz VKSLKZMRYXEHQD-INIZCTEOSA-N 1 2 397.313 2.411 20 0 GEADLO CN(C[C@H](O)c1cccc(Br)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000298425827 532649680 /nfs/dbraw/zinc/64/96/80/532649680.db2.gz WTABXLAZMFCGJL-HNNXBMFYSA-N 1 2 381.274 2.411 20 0 GEADLO Cn1nc(Br)c2c1nc[nH+]c2NCC(=O)N1CCc2ccccc21 ZINC000263947114 532650438 /nfs/dbraw/zinc/65/04/38/532650438.db2.gz HAQBNBLEIHFHLJ-UHFFFAOYSA-N 1 2 387.241 2.127 20 0 GEADLO O=C(CNC(=O)c1ccc(Br)s1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263934444 532650647 /nfs/dbraw/zinc/65/06/47/532650647.db2.gz OGJGPFFOSDWGIC-JTQLQIEISA-N 1 2 397.298 2.370 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000263959699 532651803 /nfs/dbraw/zinc/65/18/03/532651803.db2.gz JRENFAQOHIUDTP-AWEZNQCLSA-N 1 2 384.889 2.294 20 0 GEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000263959699 532651810 /nfs/dbraw/zinc/65/18/10/532651810.db2.gz JRENFAQOHIUDTP-AWEZNQCLSA-N 1 2 384.889 2.294 20 0 GEADLO C[C@H](CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br)n1cc[nH+]c1 ZINC000567392285 532651870 /nfs/dbraw/zinc/65/18/70/532651870.db2.gz LKHJDQCZVOQLOG-WBMJQRKESA-N 1 2 391.269 2.296 20 0 GEADLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@](C)(F)C2)c(C)cc1Br ZINC000567384698 532652862 /nfs/dbraw/zinc/65/28/62/532652862.db2.gz PAHNCIOPLCMWLL-AWEZNQCLSA-N 1 2 379.295 2.388 20 0 GEADLO C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1)c1cccs1 ZINC000263994797 532654942 /nfs/dbraw/zinc/65/49/42/532654942.db2.gz LKOADQIZUANBTB-OLZOCXBDSA-N 1 2 381.523 2.266 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1)c1cccs1 ZINC000263994797 532654949 /nfs/dbraw/zinc/65/49/49/532654949.db2.gz LKOADQIZUANBTB-OLZOCXBDSA-N 1 2 381.523 2.266 20 0 GEADLO CN(Cc1nnc(S(C)(=O)=O)s1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000285182345 532655255 /nfs/dbraw/zinc/65/52/55/532655255.db2.gz VPWQRFDTOVMTCX-HNNXBMFYSA-N 1 2 380.539 2.038 20 0 GEADLO CN(Cc1nnc(S(C)(=O)=O)s1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000285182345 532655263 /nfs/dbraw/zinc/65/52/63/532655263.db2.gz VPWQRFDTOVMTCX-HNNXBMFYSA-N 1 2 380.539 2.038 20 0 GEADLO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)n2)C[C@@H]1n1cc[nH+]c1 ZINC000285211893 532658144 /nfs/dbraw/zinc/65/81/44/532658144.db2.gz MCDNDIYWUZQJQC-RYUDHWBXSA-N 1 2 392.257 2.089 20 0 GEADLO Cc1sc2nc([C@@H](C)[N@@H+]3CCC[C@H](CS(N)(=O)=O)C3)[nH]c(=O)c2c1C ZINC000264999685 532685737 /nfs/dbraw/zinc/68/57/37/532685737.db2.gz DOJDDGGPHHXKGH-PWSUYJOCSA-N 1 2 384.527 2.075 20 0 GEADLO Cc1sc2nc([C@@H](C)[N@H+]3CCC[C@H](CS(N)(=O)=O)C3)[nH]c(=O)c2c1C ZINC000264999685 532685742 /nfs/dbraw/zinc/68/57/42/532685742.db2.gz DOJDDGGPHHXKGH-PWSUYJOCSA-N 1 2 384.527 2.075 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc(F)cc(Br)c2)[C@@H](C)CO1 ZINC000663765525 532685844 /nfs/dbraw/zinc/68/58/44/532685844.db2.gz FQHFLLJXBXNQIM-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(F)cc(Br)c2)[C@@H](C)CO1 ZINC000663765525 532685847 /nfs/dbraw/zinc/68/58/47/532685847.db2.gz FQHFLLJXBXNQIM-NWDGAFQWSA-N 1 2 388.281 2.497 20 0 GEADLO CN1CCC[C@H]([NH+]2CCN(Cc3cc(Br)ccc3F)CC2)C1=O ZINC000535713016 532685932 /nfs/dbraw/zinc/68/59/32/532685932.db2.gz LZHAGHGQEODJOZ-INIZCTEOSA-N 1 2 384.293 2.327 20 0 GEADLO O=S1(=O)CC[C@H]([N@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@H]2CCCO2)C1 ZINC000534098383 532669580 /nfs/dbraw/zinc/66/95/80/532669580.db2.gz MPGSQQVQIJYAOM-UONOGXRCSA-N 1 2 387.885 2.237 20 0 GEADLO O=S1(=O)CC[C@H]([N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@H]2CCCO2)C1 ZINC000534098383 532669582 /nfs/dbraw/zinc/66/95/82/532669582.db2.gz MPGSQQVQIJYAOM-UONOGXRCSA-N 1 2 387.885 2.237 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000285334043 532671182 /nfs/dbraw/zinc/67/11/82/532671182.db2.gz OCVFUMWDVBXLNY-JSGCOSHPSA-N 1 2 376.881 2.104 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@@H](C)C1 ZINC000285347223 532673559 /nfs/dbraw/zinc/67/35/59/532673559.db2.gz PHIZQQZZAQZPKP-VIFPVBQESA-N 1 2 382.711 2.212 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@@H](C)C1 ZINC000285347223 532673564 /nfs/dbraw/zinc/67/35/64/532673564.db2.gz PHIZQQZZAQZPKP-VIFPVBQESA-N 1 2 382.711 2.212 20 0 GEADLO O=C(C[N@H+]1CCSC[C@@H]1CCO)Nc1ccc(Br)cc1F ZINC000438647919 532674416 /nfs/dbraw/zinc/67/44/16/532674416.db2.gz PKKVSQSWQHCHBU-NSHDSACASA-N 1 2 377.279 2.327 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@@H]1CCO)Nc1ccc(Br)cc1F ZINC000438647919 532674422 /nfs/dbraw/zinc/67/44/22/532674422.db2.gz PKKVSQSWQHCHBU-NSHDSACASA-N 1 2 377.279 2.327 20 0 GEADLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@]2(CCOC2)O1 ZINC000483176301 532674573 /nfs/dbraw/zinc/67/45/73/532674573.db2.gz XCRPFPYBCIYUNA-SKDZVZGDSA-N 1 2 395.297 2.434 20 0 GEADLO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@]2(CCOC2)O1 ZINC000483176301 532674578 /nfs/dbraw/zinc/67/45/78/532674578.db2.gz XCRPFPYBCIYUNA-SKDZVZGDSA-N 1 2 395.297 2.434 20 0 GEADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000264480250 532677319 /nfs/dbraw/zinc/67/73/19/532677319.db2.gz VIHGLIXOKYLFPV-CYBMUJFWSA-N 1 2 386.323 2.452 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848741 532677886 /nfs/dbraw/zinc/67/78/86/532677886.db2.gz AIHUHQDPZNEAAD-JTQLQIEISA-N 1 2 383.246 2.017 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660848741 532677892 /nfs/dbraw/zinc/67/78/92/532677892.db2.gz AIHUHQDPZNEAAD-JTQLQIEISA-N 1 2 383.246 2.017 20 0 GEADLO CCNC(=O)NCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000484371461 532678570 /nfs/dbraw/zinc/67/85/70/532678570.db2.gz KSPGOCNWGNBUKX-OAHLLOKOSA-N 1 2 397.317 2.021 20 0 GEADLO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661114130 532678948 /nfs/dbraw/zinc/67/89/48/532678948.db2.gz DUZXABSHNUUZRA-IXDOHACOSA-N 1 2 394.313 2.421 20 0 GEADLO C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cn1 ZINC000661108978 532679261 /nfs/dbraw/zinc/67/92/61/532679261.db2.gz SFHQLDGGICYOJT-GXTWGEPZSA-N 1 2 383.290 2.021 20 0 GEADLO C[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C[C@H]1C(N)=O ZINC000285444442 532680228 /nfs/dbraw/zinc/68/02/28/532680228.db2.gz JAJHYAUNGJKPTA-WQVCFCJDSA-N 1 2 394.313 2.166 20 0 GEADLO Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439434680 532691327 /nfs/dbraw/zinc/69/13/27/532691327.db2.gz FCKZXMQXYQVLNX-UKRRQHHQSA-N 1 2 399.264 2.294 20 0 GEADLO Cn1cnnc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439434680 532691332 /nfs/dbraw/zinc/69/13/32/532691332.db2.gz FCKZXMQXYQVLNX-UKRRQHHQSA-N 1 2 399.264 2.294 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2cccc(Br)c2)[C@H](C)CO1 ZINC000665108569 532693450 /nfs/dbraw/zinc/69/34/50/532693450.db2.gz KHBRTQQRFCSYKJ-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2cccc(Br)c2)[C@H](C)CO1 ZINC000665108569 532693457 /nfs/dbraw/zinc/69/34/57/532693457.db2.gz KHBRTQQRFCSYKJ-ZIAGYGMSSA-N 1 2 384.318 2.400 20 0 GEADLO CSC[C@@H]1CCC[N@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000569305238 532694910 /nfs/dbraw/zinc/69/49/10/532694910.db2.gz AENKHMJRLVOYID-WBVHZDCISA-N 1 2 388.599 2.020 20 0 GEADLO CSC[C@@H]1CCC[N@@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000569305238 532694914 /nfs/dbraw/zinc/69/49/14/532694914.db2.gz AENKHMJRLVOYID-WBVHZDCISA-N 1 2 388.599 2.020 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000603557244 532695563 /nfs/dbraw/zinc/69/55/63/532695563.db2.gz KYBGEZVCVYJQHP-VXGBXAGGSA-N 1 2 384.325 2.488 20 0 GEADLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000603557244 532695569 /nfs/dbraw/zinc/69/55/69/532695569.db2.gz KYBGEZVCVYJQHP-VXGBXAGGSA-N 1 2 384.325 2.488 20 0 GEADLO CC[C@H]1C[N@H+](CCNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000487381362 532696429 /nfs/dbraw/zinc/69/64/29/532696429.db2.gz TYOQNZOWXSFDIQ-HNNXBMFYSA-N 1 2 380.432 2.236 20 0 GEADLO CC[C@H]1C[N@@H+](CCNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000487381362 532696434 /nfs/dbraw/zinc/69/64/34/532696434.db2.gz TYOQNZOWXSFDIQ-HNNXBMFYSA-N 1 2 380.432 2.236 20 0 GEADLO COC(=O)C(C)(C)CS(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000569498622 532696478 /nfs/dbraw/zinc/69/64/78/532696478.db2.gz UDJQONULHGKOJP-AWEZNQCLSA-N 1 2 376.906 2.061 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1cc(Br)ccc1F ZINC000285694596 532698931 /nfs/dbraw/zinc/69/89/31/532698931.db2.gz HEOOYQJXUMXDIZ-WFASDCNBSA-N 1 2 385.277 2.452 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)COc1ccc(Br)cc1 ZINC000285696589 532699226 /nfs/dbraw/zinc/69/92/26/532699226.db2.gz HETQCKVLHSDINH-ZFWWWQNUSA-N 1 2 383.286 2.150 20 0 GEADLO C[N@H+](CCO)Cc1cn(CCOc2ccc(Cl)cc2Br)nn1 ZINC000640860235 532699749 /nfs/dbraw/zinc/69/97/49/532699749.db2.gz YQGNCRTVFKATDH-UHFFFAOYSA-N 1 2 389.681 2.197 20 0 GEADLO C[N@@H+](CCO)Cc1cn(CCOc2ccc(Cl)cc2Br)nn1 ZINC000640860235 532699756 /nfs/dbraw/zinc/69/97/56/532699756.db2.gz YQGNCRTVFKATDH-UHFFFAOYSA-N 1 2 389.681 2.197 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000285707619 532700903 /nfs/dbraw/zinc/70/09/03/532700903.db2.gz STPFTNZDKZPLRU-WFASDCNBSA-N 1 2 380.432 2.095 20 0 GEADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000285707619 532700907 /nfs/dbraw/zinc/70/09/07/532700907.db2.gz STPFTNZDKZPLRU-WFASDCNBSA-N 1 2 380.432 2.095 20 0 GEADLO CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000536962808 532700929 /nfs/dbraw/zinc/70/09/29/532700929.db2.gz FHKMRBWGQJFONG-HOTGVXAUSA-N 1 2 387.933 2.161 20 0 GEADLO Cc1ccc(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1F ZINC000439766356 532701454 /nfs/dbraw/zinc/70/14/54/532701454.db2.gz HPINHGMCQPGGDD-UHFFFAOYSA-N 1 2 383.411 2.085 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000378265184 532687266 /nfs/dbraw/zinc/68/72/66/532687266.db2.gz FKTLJVFLBRHOLU-LLVKDONJSA-N 1 2 383.857 2.038 20 0 GEADLO CCN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H](C)CS(=O)(=O)CC ZINC000265057743 532687468 /nfs/dbraw/zinc/68/74/68/532687468.db2.gz LDHZEMJBSDBQBM-UKRRQHHQSA-N 1 2 375.560 2.206 20 0 GEADLO C[C@H](c1cccc(F)c1)[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439282837 532688214 /nfs/dbraw/zinc/68/82/14/532688214.db2.gz IBBYVXWGOGBJGW-LLVKDONJSA-N 1 2 383.411 2.337 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000265212369 532688332 /nfs/dbraw/zinc/68/83/32/532688332.db2.gz LXRRYVJTUQINDR-AWEZNQCLSA-N 1 2 381.523 2.223 20 0 GEADLO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000265212369 532688337 /nfs/dbraw/zinc/68/83/37/532688337.db2.gz LXRRYVJTUQINDR-AWEZNQCLSA-N 1 2 381.523 2.223 20 0 GEADLO O=S(=O)(NCC(F)(F)F)NC1CC[NH+](CCCc2ccsc2)CC1 ZINC000439288157 532688749 /nfs/dbraw/zinc/68/87/49/532688749.db2.gz YNVCIDRRCMBHTA-UHFFFAOYSA-N 1 2 385.477 2.131 20 0 GEADLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cnn2cc(Br)cnc12 ZINC000639088255 532689053 /nfs/dbraw/zinc/68/90/53/532689053.db2.gz DZHGFWPRKXNXAY-KBPBESRZSA-N 1 2 379.258 2.062 20 0 GEADLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cnn2cc(Br)cnc12 ZINC000639088255 532689064 /nfs/dbraw/zinc/68/90/64/532689064.db2.gz DZHGFWPRKXNXAY-KBPBESRZSA-N 1 2 379.258 2.062 20 0 GEADLO C[C@H]1CC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CS1(=O)=O ZINC000664368181 532690250 /nfs/dbraw/zinc/69/02/50/532690250.db2.gz FZGRBBORGSULNP-STQMWFEESA-N 1 2 386.543 2.216 20 0 GEADLO O=C(Nc1cc(Cl)c(Cl)cc1F)N(CCO)CC[NH+]1CCOCC1 ZINC000439951949 532704324 /nfs/dbraw/zinc/70/43/24/532704324.db2.gz BJCDGNRZKVYMIP-UHFFFAOYSA-N 1 2 380.247 2.291 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000266150314 532705443 /nfs/dbraw/zinc/70/54/43/532705443.db2.gz JAGMHHLEKMNUDS-UHFFFAOYSA-N 1 2 383.857 2.349 20 0 GEADLO O=C(CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)Nc1ccc(Br)cc1 ZINC000666891402 532706002 /nfs/dbraw/zinc/70/60/02/532706002.db2.gz PBIMWWIHRKAGLE-LLVKDONJSA-N 1 2 391.269 2.422 20 0 GEADLO O=C(CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)Nc1ccc(Br)cc1 ZINC000666891402 532706006 /nfs/dbraw/zinc/70/60/06/532706006.db2.gz PBIMWWIHRKAGLE-LLVKDONJSA-N 1 2 391.269 2.422 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000440079885 532707457 /nfs/dbraw/zinc/70/74/57/532707457.db2.gz VIJKUELTLZFNAR-UHFFFAOYSA-N 1 2 392.258 2.252 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667746386 532708036 /nfs/dbraw/zinc/70/80/36/532708036.db2.gz SSUUKYIIYCAELN-CHWSQXEVSA-N 1 2 391.269 2.349 20 0 GEADLO Cc1ccc2[nH+]c(CNC(=O)NCc3ccc(S(C)(=O)=O)s3)cn2c1 ZINC000572658517 532708865 /nfs/dbraw/zinc/70/88/65/532708865.db2.gz VCUCXIMRDODFLO-UHFFFAOYSA-N 1 2 378.479 2.107 20 0 GEADLO O=C1NCCCC[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000394609505 532710556 /nfs/dbraw/zinc/71/05/56/532710556.db2.gz HCKJNPPBOWJYMU-LLVKDONJSA-N 1 2 377.080 2.365 20 0 GEADLO CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)cc1OC ZINC000538762058 532718282 /nfs/dbraw/zinc/71/82/82/532718282.db2.gz UVSPZWMSYGJTRZ-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]2CS(=O)(=O)NC)cc1OC ZINC000538762058 532718286 /nfs/dbraw/zinc/71/82/86/532718286.db2.gz UVSPZWMSYGJTRZ-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO CSc1nc2ccc(NC(=O)C(=O)N3CC[NH+](C4CC4)CC3)cc2s1 ZINC000299347816 532711897 /nfs/dbraw/zinc/71/18/97/532711897.db2.gz MVPUVCFVPWQPRF-UHFFFAOYSA-N 1 2 376.507 2.263 20 0 GEADLO O=C(NCCNc1cccc(Br)c1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494211243 532714135 /nfs/dbraw/zinc/71/41/35/532714135.db2.gz FCGZAHQCYJNHHT-INIZCTEOSA-N 1 2 397.317 2.023 20 0 GEADLO O=C(NCCNc1cccc(Br)c1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494211243 532714140 /nfs/dbraw/zinc/71/41/40/532714140.db2.gz FCGZAHQCYJNHHT-INIZCTEOSA-N 1 2 397.317 2.023 20 0 GEADLO COc1cc(C[N@@H+]2CC[C@H](NS(=O)(=O)c3ccsc3)C2)cc(OC)c1 ZINC000285874521 532716526 /nfs/dbraw/zinc/71/65/26/532716526.db2.gz FIDFYHNZIIMXDC-AWEZNQCLSA-N 1 2 382.507 2.318 20 0 GEADLO COc1cc(C[N@H+]2CC[C@H](NS(=O)(=O)c3ccsc3)C2)cc(OC)c1 ZINC000285874521 532716534 /nfs/dbraw/zinc/71/65/34/532716534.db2.gz FIDFYHNZIIMXDC-AWEZNQCLSA-N 1 2 382.507 2.318 20 0 GEADLO CC[C@@](C)([NH2+]CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)c1nccs1 ZINC000440703849 532721562 /nfs/dbraw/zinc/72/15/62/532721562.db2.gz JLKYDNIBORROSG-WMLDXEAASA-N 1 2 387.571 2.030 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1Br ZINC000538851760 532721698 /nfs/dbraw/zinc/72/16/98/532721698.db2.gz BIEHDPHMAMPNPK-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1Br ZINC000538851760 532721701 /nfs/dbraw/zinc/72/17/01/532721701.db2.gz BIEHDPHMAMPNPK-QWRGUYRKSA-N 1 2 377.304 2.171 20 0 GEADLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3[nH]nc(C4CC4)c3Br)CC2)S1 ZINC000266714731 532722297 /nfs/dbraw/zinc/72/22/97/532722297.db2.gz RBCJCAUXLJRVLQ-VIFPVBQESA-N 1 2 398.330 2.299 20 0 GEADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000299511031 532723636 /nfs/dbraw/zinc/72/36/36/532723636.db2.gz SYAJMVGEPDJEFJ-ZDUSSCGKSA-N 1 2 381.479 2.252 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000613033432 532725316 /nfs/dbraw/zinc/72/53/16/532725316.db2.gz KIKCIZGYRTVOLA-ZIAGYGMSSA-N 1 2 396.260 2.446 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)n1 ZINC000613176275 532728311 /nfs/dbraw/zinc/72/83/11/532728311.db2.gz MZIPHLPVESIZFV-NXEZZACHSA-N 1 2 379.404 2.460 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)n1 ZINC000613176275 532728316 /nfs/dbraw/zinc/72/83/16/532728316.db2.gz MZIPHLPVESIZFV-NXEZZACHSA-N 1 2 379.404 2.460 20 0 GEADLO Cc1[nH]nc(NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)c1C ZINC000576799340 532728616 /nfs/dbraw/zinc/72/86/16/532728616.db2.gz WLNDYMCJCIHRGT-UHFFFAOYSA-N 1 2 395.261 2.665 20 0 GEADLO CCOC(=O)C1(O)CC[NH+](CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000266929040 532730324 /nfs/dbraw/zinc/73/03/24/532730324.db2.gz OCZVREUFADHQDW-UHFFFAOYSA-N 1 2 399.285 2.086 20 0 GEADLO COC(=O)c1csc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000299624112 532731614 /nfs/dbraw/zinc/73/16/14/532731614.db2.gz JYRSAHJNLYZOIK-ZDUSSCGKSA-N 1 2 384.479 2.243 20 0 GEADLO COc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)sc1Br ZINC000285905547 532718872 /nfs/dbraw/zinc/71/88/72/532718872.db2.gz SDIRSJYNGFBXEU-WDEREUQCSA-N 1 2 389.315 2.454 20 0 GEADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(CCO)Cc1cc(Br)cs1 ZINC000580146612 532745875 /nfs/dbraw/zinc/74/58/75/532745875.db2.gz IEQKDTBUXARXLL-LLVKDONJSA-N 1 2 384.299 2.291 20 0 GEADLO O=C(c1c[nH]c(C(F)(F)F)c1)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615092247 532745894 /nfs/dbraw/zinc/74/58/94/532745894.db2.gz SDTWQHDMXDOJBX-ZDUSSCGKSA-N 1 2 377.432 2.313 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000503321600 532746049 /nfs/dbraw/zinc/74/60/49/532746049.db2.gz XRQXCBUBCSXXNP-LLVKDONJSA-N 1 2 390.272 2.022 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000500708622 532734045 /nfs/dbraw/zinc/73/40/45/532734045.db2.gz HWBYXLIWJPMCQU-CQSZACIVSA-N 1 2 382.917 2.254 20 0 GEADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000500708622 532734049 /nfs/dbraw/zinc/73/40/49/532734049.db2.gz HWBYXLIWJPMCQU-CQSZACIVSA-N 1 2 382.917 2.254 20 0 GEADLO CS[C@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C1 ZINC000301289778 532747833 /nfs/dbraw/zinc/74/78/33/532747833.db2.gz OJMNKVJNFUEGMP-CABCVRRESA-N 1 2 384.571 2.104 20 0 GEADLO C[C@@H]1[C@H](C)N(CCS(=O)(=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000540052047 532734530 /nfs/dbraw/zinc/73/45/30/532734530.db2.gz FIRZBVWPLGMFJE-OLZOCXBDSA-N 1 2 375.332 2.247 20 0 GEADLO C[C@@H]1[C@H](C)N(CCS(=O)(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000540052047 532734534 /nfs/dbraw/zinc/73/45/34/532734534.db2.gz FIRZBVWPLGMFJE-OLZOCXBDSA-N 1 2 375.332 2.247 20 0 GEADLO COC(=O)c1nscc1S(=O)(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500793463 532735503 /nfs/dbraw/zinc/73/55/03/532735503.db2.gz HYAFGFQQIHNTHK-UHFFFAOYSA-N 1 2 389.886 2.446 20 0 GEADLO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC12CCC2 ZINC000540043362 532735497 /nfs/dbraw/zinc/73/54/97/532735497.db2.gz ZEYZNDSGSWUYON-GFCCVEGCSA-N 1 2 385.917 2.438 20 0 GEADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC12CCC2 ZINC000540043362 532735502 /nfs/dbraw/zinc/73/55/02/532735502.db2.gz ZEYZNDSGSWUYON-GFCCVEGCSA-N 1 2 385.917 2.438 20 0 GEADLO CS(=O)(=O)c1nnc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000286225663 532735607 /nfs/dbraw/zinc/73/56/07/532735607.db2.gz RBWSZBMRPAOSRP-AAEUAGOBSA-N 1 2 391.877 2.354 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC[N@@H+]1CCOC ZINC000501145206 532736786 /nfs/dbraw/zinc/73/67/86/532736786.db2.gz KDKNYYRAAXNGJY-AWEZNQCLSA-N 1 2 390.933 2.470 20 0 GEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC[N@H+]1CCOC ZINC000501145206 532736792 /nfs/dbraw/zinc/73/67/92/532736792.db2.gz KDKNYYRAAXNGJY-AWEZNQCLSA-N 1 2 390.933 2.470 20 0 GEADLO COc1nc(NCc2ccc[nH+]c2N2CCOCC2)ncc1Br ZINC000267166485 532736835 /nfs/dbraw/zinc/73/68/35/532736835.db2.gz ZVQIDCUFGRLSPC-UHFFFAOYSA-N 1 2 380.246 2.091 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000674405156 532736832 /nfs/dbraw/zinc/73/68/32/532736832.db2.gz BARKKXHTPSYOLO-UHFFFAOYSA-N 1 2 389.612 2.230 20 0 GEADLO C[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C(C)(C)C1 ZINC000501137449 532736919 /nfs/dbraw/zinc/73/69/19/532736919.db2.gz GSNKEIRFGSFHJQ-UHFFFAOYSA-N 1 2 383.258 2.442 20 0 GEADLO C[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C(C)(C)C1 ZINC000501137449 532736925 /nfs/dbraw/zinc/73/69/25/532736925.db2.gz GSNKEIRFGSFHJQ-UHFFFAOYSA-N 1 2 383.258 2.442 20 0 GEADLO C[C@H](CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2)c1ccc(Br)cc1 ZINC000614508776 532739340 /nfs/dbraw/zinc/73/93/40/532739340.db2.gz YIHLOVCVULJMSO-RHSMWYFYSA-N 1 2 380.330 2.449 20 0 GEADLO C[C@H](CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2)c1ccc(Br)cc1 ZINC000614508776 532739346 /nfs/dbraw/zinc/73/93/46/532739346.db2.gz YIHLOVCVULJMSO-RHSMWYFYSA-N 1 2 380.330 2.449 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000267497484 532741939 /nfs/dbraw/zinc/74/19/39/532741939.db2.gz FYVSTTYSIPYCGF-UHFFFAOYSA-N 1 2 381.841 2.167 20 0 GEADLO CCS(=O)(=O)N1CCc2cc(-c3csc([C@@H]4COCC[NH2+]4)n3)ccc21 ZINC000446137081 532755104 /nfs/dbraw/zinc/75/51/04/532755104.db2.gz KMGJLYGQYQJKPF-AWEZNQCLSA-N 1 2 379.507 2.183 20 0 GEADLO O=C(CCn1cc[nH+]c1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000411332348 532755849 /nfs/dbraw/zinc/75/58/49/532755849.db2.gz YOKWVTITHVTOCI-UHFFFAOYSA-N 1 2 382.873 2.350 20 0 GEADLO CC[C@H]([NH2+]CC(=O)NCC(=O)NC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC000541632038 532757549 /nfs/dbraw/zinc/75/75/49/532757549.db2.gz UVXIXSRAAUZRQG-VIFPVBQESA-N 1 2 380.436 2.234 20 0 GEADLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCN3CCOC[C@@H]3C2)ccc1Br ZINC000541700176 532758532 /nfs/dbraw/zinc/75/85/32/532758532.db2.gz JIKFUAUQBTWKLW-HIFRSBDPSA-N 1 2 382.302 2.101 20 0 GEADLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCN3CCOC[C@@H]3C2)ccc1Br ZINC000541700176 532758535 /nfs/dbraw/zinc/75/85/35/532758535.db2.gz JIKFUAUQBTWKLW-HIFRSBDPSA-N 1 2 382.302 2.101 20 0 GEADLO C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000268292945 532760197 /nfs/dbraw/zinc/76/01/97/532760197.db2.gz VICSGPKMUDSBFT-WCQYABFASA-N 1 2 385.287 2.312 20 0 GEADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCOc1ccc(I)cc1 ZINC000582616449 532760933 /nfs/dbraw/zinc/76/09/33/532760933.db2.gz LIYVJSVTOQVZSG-NSHDSACASA-N 1 2 399.232 2.388 20 0 GEADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCOc1ccc(I)cc1 ZINC000582616449 532760939 /nfs/dbraw/zinc/76/09/39/532760939.db2.gz LIYVJSVTOQVZSG-NSHDSACASA-N 1 2 399.232 2.388 20 0 GEADLO Cc1ccc2[nH+]c(CNC(=O)NCCn3cc(Br)cn3)cn2c1 ZINC000286655855 532761152 /nfs/dbraw/zinc/76/11/52/532761152.db2.gz AGPBUZDRGQENCL-UHFFFAOYSA-N 1 2 377.246 2.101 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504666572 532749797 /nfs/dbraw/zinc/74/97/97/532749797.db2.gz WBSUWEKOTONVRW-ZDUSSCGKSA-N 1 2 390.311 2.218 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504666572 532749801 /nfs/dbraw/zinc/74/98/01/532749801.db2.gz WBSUWEKOTONVRW-ZDUSSCGKSA-N 1 2 390.311 2.218 20 0 GEADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncccc2S(N)(=O)=O)CC1 ZINC000301436148 532750614 /nfs/dbraw/zinc/75/06/14/532750614.db2.gz HLTGXOBNYVGIAS-ZDUSSCGKSA-N 1 2 380.901 2.266 20 0 GEADLO CO[C@H](C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CCC1 ZINC000616143798 532750803 /nfs/dbraw/zinc/75/08/03/532750803.db2.gz DCOPRWBRSPBVDK-HNNXBMFYSA-N 1 2 384.274 2.434 20 0 GEADLO O=C(Cc1cscn1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000616149507 532750908 /nfs/dbraw/zinc/75/09/08/532750908.db2.gz YWPFULARFKVRCB-UHFFFAOYSA-N 1 2 383.271 2.318 20 0 GEADLO C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)[C@@H](C)C[NH2+]1 ZINC000505850724 532750949 /nfs/dbraw/zinc/75/09/49/532750949.db2.gz IMOCOOCJSWCAKF-STQMWFEESA-N 1 2 379.507 2.371 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000444720352 532751303 /nfs/dbraw/zinc/75/13/03/532751303.db2.gz SWZIFYKRVLYRIJ-DOMZBBRYSA-N 1 2 381.416 2.104 20 0 GEADLO CS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000444720352 532751309 /nfs/dbraw/zinc/75/13/09/532751309.db2.gz SWZIFYKRVLYRIJ-DOMZBBRYSA-N 1 2 381.416 2.104 20 0 GEADLO O=C(C[NH+]1CCN(Cc2cc(Br)ccc2Cl)CC1)NC1CC1 ZINC000506745679 532753973 /nfs/dbraw/zinc/75/39/73/532753973.db2.gz ZUBFERYZJISVBU-UHFFFAOYSA-N 1 2 386.721 2.499 20 0 GEADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cnc2sccn2c1=O ZINC000302896360 532774815 /nfs/dbraw/zinc/77/48/15/532774815.db2.gz NXFMZYNETNPXPK-UHFFFAOYSA-N 1 2 375.479 2.451 20 0 GEADLO Cc1c([C@@H](C)[NH2+]CCS(C)(=O)=O)nnn1-c1cccc(Br)c1 ZINC000269033266 532775159 /nfs/dbraw/zinc/77/51/59/532775159.db2.gz SDOKQKBPLNGDLJ-SNVBAGLBSA-N 1 2 387.303 2.033 20 0 GEADLO Cc1csc(NC(=O)C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)n1 ZINC000303296563 532776299 /nfs/dbraw/zinc/77/62/99/532776299.db2.gz HWNSGQVFCUXQEF-CQSZACIVSA-N 1 2 380.539 2.457 20 0 GEADLO Cc1csc(NC(=O)C[N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)n1 ZINC000303296563 532776301 /nfs/dbraw/zinc/77/63/01/532776301.db2.gz HWNSGQVFCUXQEF-CQSZACIVSA-N 1 2 380.539 2.457 20 0 GEADLO CC(=O)NCC[N@@H+](C)Cc1cc(Br)c(O)c(Br)c1 ZINC000308306810 532776751 /nfs/dbraw/zinc/77/67/51/532776751.db2.gz OXKQKEQARDEYKJ-UHFFFAOYSA-N 1 2 380.080 2.485 20 0 GEADLO CC(=O)NCC[N@H+](C)Cc1cc(Br)c(O)c(Br)c1 ZINC000308306810 532776753 /nfs/dbraw/zinc/77/67/53/532776753.db2.gz OXKQKEQARDEYKJ-UHFFFAOYSA-N 1 2 380.080 2.485 20 0 GEADLO Cc1cnc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)n1C ZINC000512893705 532778790 /nfs/dbraw/zinc/77/87/90/532778790.db2.gz FTCNJIRZWNNJAN-UHFFFAOYSA-N 1 2 377.297 2.103 20 0 GEADLO Cc1c[nH+]c(CNCCNS(=O)(=O)c2cccc(Cl)c2Cl)n1C ZINC000512893705 532778791 /nfs/dbraw/zinc/77/87/91/532778791.db2.gz FTCNJIRZWNNJAN-UHFFFAOYSA-N 1 2 377.297 2.103 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc(F)c1Br ZINC000411549369 532766069 /nfs/dbraw/zinc/76/60/69/532766069.db2.gz ZXJBEAUEEUOXPS-SECBINFHSA-N 1 2 395.232 2.232 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc(F)c1Br ZINC000411549369 532766072 /nfs/dbraw/zinc/76/60/72/532766072.db2.gz ZXJBEAUEEUOXPS-SECBINFHSA-N 1 2 395.232 2.232 20 0 GEADLO CN(C)c1nc(N)nc(C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)n1 ZINC000411563338 532767296 /nfs/dbraw/zinc/76/72/96/532767296.db2.gz UJEAKRRLBWLJSV-AWEZNQCLSA-N 1 2 395.280 2.662 20 0 GEADLO CC(C)N(Cc1ccc(Br)cc1)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000286822446 532771400 /nfs/dbraw/zinc/77/14/00/532771400.db2.gz YKCLWOZZKUBSDF-UHFFFAOYSA-N 1 2 393.285 2.236 20 0 GEADLO CN1CCN(c2cc(NCc3ccc(Br)c(F)c3)[nH+]cn2)CC1=O ZINC000302594668 532771704 /nfs/dbraw/zinc/77/17/04/532771704.db2.gz XBKVRTRRFHUKNR-UHFFFAOYSA-N 1 2 394.248 2.269 20 0 GEADLO CN1CCN(c2cc(NCc3ccc(Br)c(F)c3)nc[nH+]2)CC1=O ZINC000302594668 532771706 /nfs/dbraw/zinc/77/17/06/532771706.db2.gz XBKVRTRRFHUKNR-UHFFFAOYSA-N 1 2 394.248 2.269 20 0 GEADLO Cc1nc(-c2cccs2)c(CC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)s1 ZINC000588935236 532771968 /nfs/dbraw/zinc/77/19/68/532771968.db2.gz QSMHVSOKYCMJKD-ZDUSSCGKSA-N 1 2 378.567 2.475 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1C[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C[C@H]1C(F)(F)F ZINC000411727690 532772964 /nfs/dbraw/zinc/77/29/64/532772964.db2.gz PDUPIIDVTKMRGM-LJISPDSOSA-N 1 2 380.407 2.436 20 0 GEADLO CN(C)S(=O)(=O)[C@@H]1C[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C[C@H]1C(F)(F)F ZINC000411727690 532772966 /nfs/dbraw/zinc/77/29/66/532772966.db2.gz PDUPIIDVTKMRGM-LJISPDSOSA-N 1 2 380.407 2.436 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1Cl ZINC000510440236 532773049 /nfs/dbraw/zinc/77/30/49/532773049.db2.gz CEYHWVULDBLXML-AWEZNQCLSA-N 1 2 383.857 2.290 20 0 GEADLO OC[C@H]([NH2+]Cc1noc(Cc2ccc(Br)cc2)n1)[C@@H]1CCCOC1 ZINC000411982530 532782237 /nfs/dbraw/zinc/78/22/37/532782237.db2.gz BLAGYQMPWXWCFZ-HIFRSBDPSA-N 1 2 396.285 2.300 20 0 GEADLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000287121170 532783822 /nfs/dbraw/zinc/78/38/22/532783822.db2.gz AJXYQAXHDFUKCI-LBPRGKRZSA-N 1 2 383.499 2.234 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(Cl)cc(Br)c1 ZINC000317980090 532784348 /nfs/dbraw/zinc/78/43/48/532784348.db2.gz DXLRBIRSJXZYSB-LBPRGKRZSA-N 1 2 386.633 2.340 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(Cl)cc(Br)c1 ZINC000317980090 532784352 /nfs/dbraw/zinc/78/43/52/532784352.db2.gz DXLRBIRSJXZYSB-LBPRGKRZSA-N 1 2 386.633 2.340 20 0 GEADLO CN1CC[N@H+](C)C[C@H]1c1noc(Cc2ccccc2I)n1 ZINC000545795051 532784328 /nfs/dbraw/zinc/78/43/28/532784328.db2.gz QOOYVCXVKKMCIN-ZDUSSCGKSA-N 1 2 398.248 2.183 20 0 GEADLO CN1CC[N@@H+](C)C[C@H]1c1noc(Cc2ccccc2I)n1 ZINC000545795051 532784330 /nfs/dbraw/zinc/78/43/30/532784330.db2.gz QOOYVCXVKKMCIN-ZDUSSCGKSA-N 1 2 398.248 2.183 20 0 GEADLO CN1CC[N@H+](C)C[C@H]1c1noc(CCOc2cccc(Br)c2)n1 ZINC000545794574 532784643 /nfs/dbraw/zinc/78/46/43/532784643.db2.gz QPPDJUCMJHACMY-AWEZNQCLSA-N 1 2 381.274 2.372 20 0 GEADLO CN1CC[N@@H+](C)C[C@H]1c1noc(CCOc2cccc(Br)c2)n1 ZINC000545794574 532784646 /nfs/dbraw/zinc/78/46/46/532784646.db2.gz QPPDJUCMJHACMY-AWEZNQCLSA-N 1 2 381.274 2.372 20 0 GEADLO C[C@H]1[C@@H](CO)CCC[N@@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000412102587 532785089 /nfs/dbraw/zinc/78/50/89/532785089.db2.gz ZZOYUHBWZOTFAA-QWHCGFSZSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@H]1[C@@H](CO)CCC[N@H+]1CCS(=O)(=O)c1cccc(Br)c1 ZINC000412102587 532785092 /nfs/dbraw/zinc/78/50/92/532785092.db2.gz ZZOYUHBWZOTFAA-QWHCGFSZSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@@H](C(=O)Nc1cccc(C(=O)N2CCSCC2)c1)[NH+]1CCSCC1 ZINC000269674062 532786025 /nfs/dbraw/zinc/78/60/25/532786025.db2.gz JJCLFVKSRRUGGW-AWEZNQCLSA-N 1 2 379.551 2.251 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cscc2Br)C1 ZINC000412355788 532788880 /nfs/dbraw/zinc/78/88/80/532788880.db2.gz LSHKWCJGTVBIRV-JTQLQIEISA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cscc2Br)C1 ZINC000412355788 532788883 /nfs/dbraw/zinc/78/88/83/532788883.db2.gz LSHKWCJGTVBIRV-JTQLQIEISA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(Br)c2F)C1 ZINC000412358454 532789024 /nfs/dbraw/zinc/78/90/24/532789024.db2.gz FMOSFXGOQUSQLL-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(Br)c2F)C1 ZINC000412358454 532789027 /nfs/dbraw/zinc/78/90/27/532789027.db2.gz FMOSFXGOQUSQLL-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccsc2Br)C1 ZINC000412362014 532789427 /nfs/dbraw/zinc/78/94/27/532789427.db2.gz UCPHSROFEILACI-JTQLQIEISA-N 1 2 375.288 2.125 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccsc2Br)C1 ZINC000412362014 532789429 /nfs/dbraw/zinc/78/94/29/532789429.db2.gz UCPHSROFEILACI-JTQLQIEISA-N 1 2 375.288 2.125 20 0 GEADLO CC[C@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@@H](O)C(F)F ZINC000457932639 532791657 /nfs/dbraw/zinc/79/16/57/532791657.db2.gz BWPIVJDGUFQBAB-CMPLNLGQSA-N 1 2 391.216 2.301 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(C)cc2Br)CC1 ZINC000412437655 532792522 /nfs/dbraw/zinc/79/25/22/532792522.db2.gz RBHCEDNNHKNLNL-UHFFFAOYSA-N 1 2 385.302 2.177 20 0 GEADLO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000548679978 532792830 /nfs/dbraw/zinc/79/28/30/532792830.db2.gz ZTGHMBAWQXFVAT-MRXNPFEDSA-N 1 2 385.277 2.440 20 0 GEADLO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000412489927 532793591 /nfs/dbraw/zinc/79/35/91/532793591.db2.gz OOYVBWOEVCALJI-CQSZACIVSA-N 1 2 390.958 2.187 20 0 GEADLO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000412489927 532793595 /nfs/dbraw/zinc/79/35/95/532793595.db2.gz OOYVBWOEVCALJI-CQSZACIVSA-N 1 2 390.958 2.187 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000412558269 532795355 /nfs/dbraw/zinc/79/53/55/532795355.db2.gz WXPOPTPAGLZBQL-UHFFFAOYSA-N 1 2 389.265 2.007 20 0 GEADLO COC[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000554901044 532805956 /nfs/dbraw/zinc/80/59/56/532805956.db2.gz OYQJXAJXVWMSSH-XZJROXQQSA-N 1 2 378.897 2.426 20 0 GEADLO COC[C@H](C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000554901044 532805960 /nfs/dbraw/zinc/80/59/60/532805960.db2.gz OYQJXAJXVWMSSH-XZJROXQQSA-N 1 2 378.897 2.426 20 0 GEADLO Cc1cc(Br)cc2c1C[N@H+](CC1(O)CCS(=O)(=O)CC1)CC2 ZINC000329360730 532806122 /nfs/dbraw/zinc/80/61/22/532806122.db2.gz GYGZWTKSCXBGRZ-UHFFFAOYSA-N 1 2 388.327 2.055 20 0 GEADLO Cc1cc(Br)cc2c1C[N@@H+](CC1(O)CCS(=O)(=O)CC1)CC2 ZINC000329360730 532806124 /nfs/dbraw/zinc/80/61/24/532806124.db2.gz GYGZWTKSCXBGRZ-UHFFFAOYSA-N 1 2 388.327 2.055 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1cc(Br)cs1 ZINC000413135124 532807315 /nfs/dbraw/zinc/80/73/15/532807315.db2.gz WUYSTCMGDULXHR-UHFFFAOYSA-N 1 2 376.320 2.421 20 0 GEADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C[C@@H]21 ZINC000329563538 532808416 /nfs/dbraw/zinc/80/84/16/532808416.db2.gz JWHAZFHXGHJASM-GZBFAFLISA-N 1 2 381.885 2.334 20 0 GEADLO C[N@H+]1CCO[C@@H]2CN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C[C@@H]21 ZINC000329563538 532808417 /nfs/dbraw/zinc/80/84/17/532808417.db2.gz JWHAZFHXGHJASM-GZBFAFLISA-N 1 2 381.885 2.334 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCN(c3cccc(Br)c3)CC2)nc[nH+]1 ZINC000413293984 532809524 /nfs/dbraw/zinc/80/95/24/532809524.db2.gz OMMZLWZPLKYMAT-CYBMUJFWSA-N 1 2 392.301 2.358 20 0 GEADLO C[C@@H](O)CNc1cc(N2CCN(c3cccc(Br)c3)CC2)[nH+]cn1 ZINC000413293984 532809526 /nfs/dbraw/zinc/80/95/26/532809526.db2.gz OMMZLWZPLKYMAT-CYBMUJFWSA-N 1 2 392.301 2.358 20 0 GEADLO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000459681130 532797462 /nfs/dbraw/zinc/79/74/62/532797462.db2.gz DCSCJHXTUNKFMH-HZMBPMFUSA-N 1 2 398.253 2.157 20 0 GEADLO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC000459681130 532797464 /nfs/dbraw/zinc/79/74/64/532797464.db2.gz DCSCJHXTUNKFMH-HZMBPMFUSA-N 1 2 398.253 2.157 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)c(F)cc1Br ZINC000287507743 532798682 /nfs/dbraw/zinc/79/86/82/532798682.db2.gz RDUPANOUOSFWEA-SNVBAGLBSA-N 1 2 383.221 2.237 20 0 GEADLO Cc1nc(S(=O)(=O)N2CC[NH+](CCSC3CCCCC3)CC2)cn1C ZINC000328831288 532798856 /nfs/dbraw/zinc/79/88/56/532798856.db2.gz RFVCFUIXFLOLLT-UHFFFAOYSA-N 1 2 386.587 2.101 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(Br)cn1C(C)C ZINC000270454208 532798935 /nfs/dbraw/zinc/79/89/35/532798935.db2.gz JQWGEVXZYZVBNJ-LBPRGKRZSA-N 1 2 383.246 2.069 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(Br)cn1C(C)C ZINC000270454208 532798937 /nfs/dbraw/zinc/79/89/37/532798937.db2.gz JQWGEVXZYZVBNJ-LBPRGKRZSA-N 1 2 383.246 2.069 20 0 GEADLO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000329166025 532802808 /nfs/dbraw/zinc/80/28/08/532802808.db2.gz HMXHOYDBXOAHBE-LBPRGKRZSA-N 1 2 388.327 2.135 20 0 GEADLO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000329166025 532802811 /nfs/dbraw/zinc/80/28/11/532802811.db2.gz HMXHOYDBXOAHBE-LBPRGKRZSA-N 1 2 388.327 2.135 20 0 GEADLO C[N@@H+]1CCO[C@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000329939265 532813413 /nfs/dbraw/zinc/81/34/13/532813413.db2.gz AWSGQPHQDYFRPS-MNOVXSKESA-N 1 2 385.287 2.075 20 0 GEADLO C[N@H+]1CCO[C@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000329939265 532813414 /nfs/dbraw/zinc/81/34/14/532813414.db2.gz AWSGQPHQDYFRPS-MNOVXSKESA-N 1 2 385.287 2.075 20 0 GEADLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000556665358 532811764 /nfs/dbraw/zinc/81/17/64/532811764.db2.gz PMLSWOGBPAZEBX-UHFFFAOYSA-N 1 2 392.261 2.666 20 0 GEADLO Nc1[nH+]cnc(NC[C@H](CO)Cc2cc(F)cc(Br)c2)c1Cl ZINC000413434908 532812213 /nfs/dbraw/zinc/81/22/13/532812213.db2.gz LLUWNADUGIODKD-SECBINFHSA-N 1 2 389.656 2.877 20 0 GEADLO Nc1nc[nH+]c(NC[C@H](CO)Cc2cc(F)cc(Br)c2)c1Cl ZINC000413434908 532812216 /nfs/dbraw/zinc/81/22/16/532812216.db2.gz LLUWNADUGIODKD-SECBINFHSA-N 1 2 389.656 2.877 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)cc2s1 ZINC000330170213 532815258 /nfs/dbraw/zinc/81/52/58/532815258.db2.gz BROVLINMHGSART-AWEZNQCLSA-N 1 2 383.539 2.240 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)cc2s1 ZINC000330170213 532815261 /nfs/dbraw/zinc/81/52/61/532815261.db2.gz BROVLINMHGSART-AWEZNQCLSA-N 1 2 383.539 2.240 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc2s1 ZINC000330170214 532815442 /nfs/dbraw/zinc/81/54/42/532815442.db2.gz BROVLINMHGSART-CQSZACIVSA-N 1 2 383.539 2.240 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)cc2s1 ZINC000330170214 532815445 /nfs/dbraw/zinc/81/54/45/532815445.db2.gz BROVLINMHGSART-CQSZACIVSA-N 1 2 383.539 2.240 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000330377265 532817494 /nfs/dbraw/zinc/81/74/94/532817494.db2.gz PYLVTLHTLHFQAW-CYBMUJFWSA-N 1 2 375.560 2.095 20 0 GEADLO CN(C)S(=O)(=O)CCC[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000330377265 532817495 /nfs/dbraw/zinc/81/74/95/532817495.db2.gz PYLVTLHTLHFQAW-CYBMUJFWSA-N 1 2 375.560 2.095 20 0 GEADLO O=C(NCCCn1cc(Br)cn1)NCc1ccn2cc[nH+]c2c1 ZINC000288106998 532817750 /nfs/dbraw/zinc/81/77/50/532817750.db2.gz OWRAZDQRJKMGEE-UHFFFAOYSA-N 1 2 377.246 2.183 20 0 GEADLO CC(C)(C[NH+]1CCOCC1)NC(=O)COc1ccc(Br)cc1F ZINC000413966263 532816514 /nfs/dbraw/zinc/81/65/14/532816514.db2.gz KMLYNIOHZFRZNN-UHFFFAOYSA-N 1 2 389.265 2.194 20 0 GEADLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414065075 532818545 /nfs/dbraw/zinc/81/85/45/532818545.db2.gz FJWBEYLJIXTOJJ-QWRGUYRKSA-N 1 2 383.495 2.250 20 0 GEADLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CCCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000273150919 532820336 /nfs/dbraw/zinc/82/03/36/532820336.db2.gz HSERDQYGVOGDML-CABCVRRESA-N 1 2 381.885 2.246 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](CO)C(C)C)[nH+]c12 ZINC000273246678 532821076 /nfs/dbraw/zinc/82/10/76/532821076.db2.gz GMMNZRFIRNQEPL-CQSZACIVSA-N 1 2 383.290 2.264 20 0 GEADLO CN(Cc1nncn1C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000288301490 532823773 /nfs/dbraw/zinc/82/37/73/532823773.db2.gz NNGJKMYDMDUULV-INIZCTEOSA-N 1 2 392.301 2.373 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cnn(C)c2Br)CC1 ZINC000273282983 532821998 /nfs/dbraw/zinc/82/19/98/532821998.db2.gz WVMPOYMMOSTFAM-LBPRGKRZSA-N 1 2 378.274 2.097 20 0 GEADLO COCCOc1ncccc1C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000273483578 532825151 /nfs/dbraw/zinc/82/51/51/532825151.db2.gz UAIURZXYWSWJJK-UHFFFAOYSA-N 1 2 384.885 2.454 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NCc3nccn3C)[nH+]c12 ZINC000273505518 532825735 /nfs/dbraw/zinc/82/57/35/532825735.db2.gz BVFQGDRFYJCUFG-UHFFFAOYSA-N 1 2 377.246 2.138 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N(C)[C@@H]3CCC[C@H]3O)[nH+]c12 ZINC000288413488 532826673 /nfs/dbraw/zinc/82/66/73/532826673.db2.gz ZVGQLXNTASQVDX-ZIAGYGMSSA-N 1 2 381.274 2.460 20 0 GEADLO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000288432259 532826965 /nfs/dbraw/zinc/82/69/65/532826965.db2.gz BSBWDXCMPFKERX-WRWORJQWSA-N 1 2 398.120 2.129 20 0 GEADLO C[NH+](C)Cc1nc(C(C)(C)NS(=O)(=O)c2cc(Cl)ccc2F)no1 ZINC000414451853 532827410 /nfs/dbraw/zinc/82/74/10/532827410.db2.gz KXEYGZJFNGFQMC-UHFFFAOYSA-N 1 2 376.841 2.137 20 0 GEADLO Cc1ccc(NC(=O)C[N@H+]2CCS[C@H](C)[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000330809369 532827670 /nfs/dbraw/zinc/82/76/70/532827670.db2.gz IWJOTKMBWATPFZ-UONOGXRCSA-N 1 2 385.555 2.010 20 0 GEADLO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000330809369 532827673 /nfs/dbraw/zinc/82/76/73/532827673.db2.gz IWJOTKMBWATPFZ-UONOGXRCSA-N 1 2 385.555 2.010 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)C[C@H]1C ZINC000330910256 532829961 /nfs/dbraw/zinc/82/99/61/532829961.db2.gz YFKOVMCLYZCXIA-LLVKDONJSA-N 1 2 397.324 2.343 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)C[C@H]1C ZINC000330910256 532829962 /nfs/dbraw/zinc/82/99/62/532829962.db2.gz YFKOVMCLYZCXIA-LLVKDONJSA-N 1 2 397.324 2.343 20 0 GEADLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)C[C@@H]1C ZINC000330910257 532829994 /nfs/dbraw/zinc/82/99/94/532829994.db2.gz YFKOVMCLYZCXIA-NSHDSACASA-N 1 2 397.324 2.343 20 0 GEADLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)C[C@@H]1C ZINC000330910257 532829995 /nfs/dbraw/zinc/82/99/95/532829995.db2.gz YFKOVMCLYZCXIA-NSHDSACASA-N 1 2 397.324 2.343 20 0 GEADLO Cc1ccc(Cc2noc(-c3ccc(CCNS(C)(=O)=O)s3)n2)c[nH+]1 ZINC000273668923 532830207 /nfs/dbraw/zinc/83/02/07/532830207.db2.gz ACQUACXRPNNINP-UHFFFAOYSA-N 1 2 378.479 2.184 20 0 GEADLO O[C@H]1c2ccccc2OC[C@H]1[NH2+]Cc1ncc(I)s1 ZINC000288488479 532829423 /nfs/dbraw/zinc/82/94/23/532829423.db2.gz HCWGJSPQZOGBLM-RNCFNFMXSA-N 1 2 388.230 2.332 20 0 GEADLO CCCCCNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000288601655 532832387 /nfs/dbraw/zinc/83/23/87/532832387.db2.gz POXORGREOUWJRI-UHFFFAOYSA-N 1 2 381.274 2.328 20 0 GEADLO COC(=O)[C@H]1CSCC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000414571666 532832483 /nfs/dbraw/zinc/83/24/83/532832483.db2.gz VLNJJYUUMYXKEC-LLVKDONJSA-N 1 2 384.299 2.435 20 0 GEADLO COC(=O)[C@H]1CSCC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000414571666 532832485 /nfs/dbraw/zinc/83/24/85/532832485.db2.gz VLNJJYUUMYXKEC-LLVKDONJSA-N 1 2 384.299 2.435 20 0 GEADLO COc1cc[nH+]cc1COC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000288557901 532831264 /nfs/dbraw/zinc/83/12/64/532831264.db2.gz FJLLEPOUVFLWOW-UHFFFAOYSA-N 1 2 382.463 2.293 20 0 GEADLO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000331234434 532836390 /nfs/dbraw/zinc/83/63/90/532836390.db2.gz SGYMJFMQZLDYRE-UHFFFAOYSA-N 1 2 393.271 2.362 20 0 GEADLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+](C)CCn1cc(Br)cn1 ZINC000288696600 532835257 /nfs/dbraw/zinc/83/52/57/532835257.db2.gz DNFNRBLGVHGKCF-LBPRGKRZSA-N 1 2 376.262 2.314 20 0 GEADLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+](C)CCn1cc(Br)cn1 ZINC000288696600 532835261 /nfs/dbraw/zinc/83/52/61/532835261.db2.gz DNFNRBLGVHGKCF-LBPRGKRZSA-N 1 2 376.262 2.314 20 0 GEADLO CNS(=O)(=O)N1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000331289217 532837243 /nfs/dbraw/zinc/83/72/43/532837243.db2.gz ASTMYUWJBSRKQC-UHFFFAOYSA-N 1 2 384.354 2.167 20 0 GEADLO Cc1nnc([C@@H](C)NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC000273989250 532838948 /nfs/dbraw/zinc/83/89/48/532838948.db2.gz OIALSPZLZFHKAH-DGCLKSJQSA-N 1 2 381.527 2.342 20 0 GEADLO COc1cc(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc(OC)c1OC ZINC000002020448 212262008 /nfs/dbraw/zinc/26/20/08/212262008.db2.gz KECMDPQOQQELGY-UHFFFAOYSA-N 1 2 385.464 2.389 20 0 GEADLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3cc(F)ccc3C(=O)OC)sc2C1 ZINC000359941976 212126165 /nfs/dbraw/zinc/12/61/65/212126165.db2.gz QORNFDLCQYPQAI-UHFFFAOYSA-N 1 2 399.469 2.248 20 0 GEADLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3cc(F)ccc3C(=O)OC)sc2C1 ZINC000359941976 212126167 /nfs/dbraw/zinc/12/61/67/212126167.db2.gz QORNFDLCQYPQAI-UHFFFAOYSA-N 1 2 399.469 2.248 20 0 GEADLO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2Cc2cc(=O)n3c(C)cccc3n2)n1C ZINC000328649321 212088722 /nfs/dbraw/zinc/08/87/22/212088722.db2.gz UYBAIFLEYANYSA-GOSISDBHSA-N 1 2 393.491 2.428 20 0 GEADLO CNC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2cc(=O)n3c(C)cccc3n2)n1C ZINC000328649321 212088726 /nfs/dbraw/zinc/08/87/26/212088726.db2.gz UYBAIFLEYANYSA-GOSISDBHSA-N 1 2 393.491 2.428 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000331461307 532840344 /nfs/dbraw/zinc/84/03/44/532840344.db2.gz JMAHBOZFWWQWRG-LLVKDONJSA-N 1 2 377.388 2.360 20 0 GEADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000331461307 532840347 /nfs/dbraw/zinc/84/03/47/532840347.db2.gz JMAHBOZFWWQWRG-LLVKDONJSA-N 1 2 377.388 2.360 20 0 GEADLO Cc1cc(Br)cn2c(CN3CCC[C@@H](S(C)(=O)=O)C3)c[nH+]c12 ZINC000274080533 532840784 /nfs/dbraw/zinc/84/07/84/532840784.db2.gz HACDTEOYNPYPRN-CQSZACIVSA-N 1 2 386.315 2.414 20 0 GEADLO CN(CCn1cc(Br)cn1)C(=O)NCCCNc1cccc[nH+]1 ZINC000288899513 532841090 /nfs/dbraw/zinc/84/10/90/532841090.db2.gz QCKASNICNGQDFS-UHFFFAOYSA-N 1 2 381.278 2.184 20 0 GEADLO O=S(=O)(CCC[NH+]1CCOCC1)Oc1ccc(Br)cc1F ZINC000274147226 532842521 /nfs/dbraw/zinc/84/25/21/532842521.db2.gz BLNBFKDPMNNZRG-UHFFFAOYSA-N 1 2 382.251 2.019 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000289032850 532845403 /nfs/dbraw/zinc/84/54/03/532845403.db2.gz MZRIRJRAPDKMLJ-DGCLKSJQSA-N 1 2 386.279 2.254 20 0 GEADLO Cn1cc(S(=O)(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)nc1Cl ZINC000289046186 532845809 /nfs/dbraw/zinc/84/58/09/532845809.db2.gz DAIGVUKVTKVTKL-UHFFFAOYSA-N 1 2 379.873 2.316 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H](O)C3(C)C)[nH+]c12 ZINC000331873736 532846146 /nfs/dbraw/zinc/84/61/46/532846146.db2.gz YNSWERYBKFQVLP-ZDUSSCGKSA-N 1 2 381.274 2.460 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000274253747 532846199 /nfs/dbraw/zinc/84/61/99/532846199.db2.gz SRVANUSNGUSJHH-SNVBAGLBSA-N 1 2 396.245 2.128 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000274253747 532846200 /nfs/dbraw/zinc/84/62/00/532846200.db2.gz SRVANUSNGUSJHH-SNVBAGLBSA-N 1 2 396.245 2.128 20 0 GEADLO Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000274471560 532851038 /nfs/dbraw/zinc/85/10/38/532851038.db2.gz CKJYGUNTGBPJDJ-JTQLQIEISA-N 1 2 383.221 2.237 20 0 GEADLO CC1(C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC[NH2+]1 ZINC000332252728 532851098 /nfs/dbraw/zinc/85/10/98/532851098.db2.gz DBHLAOLGMFYNNW-UHFFFAOYSA-N 1 2 379.507 2.373 20 0 GEADLO CCN1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332304931 532851854 /nfs/dbraw/zinc/85/18/54/532851854.db2.gz LDUNFJPLNVRJKA-CQSZACIVSA-N 1 2 384.889 2.139 20 0 GEADLO CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332364098 532853098 /nfs/dbraw/zinc/85/30/98/532853098.db2.gz SZZJBZJBOYFICQ-CQSZACIVSA-N 1 2 399.314 2.240 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000289369638 532853347 /nfs/dbraw/zinc/85/33/47/532853347.db2.gz BDGPHCNUPSEOGP-VXGBXAGGSA-N 1 2 397.273 2.387 20 0 GEADLO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)c(Br)c1OC ZINC000289461406 532855493 /nfs/dbraw/zinc/85/54/93/532855493.db2.gz QCGJCMSAUYSGTH-NSHDSACASA-N 1 2 397.273 2.257 20 0 GEADLO COc1ccc(C[N@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)c(Br)c1OC ZINC000289461406 532855496 /nfs/dbraw/zinc/85/54/96/532855496.db2.gz QCGJCMSAUYSGTH-NSHDSACASA-N 1 2 397.273 2.257 20 0 GEADLO COc1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc(OC)c1Br ZINC000332506983 532856970 /nfs/dbraw/zinc/85/69/70/532856970.db2.gz ILXSMBTWPCYNHG-QWHCGFSZSA-N 1 2 399.285 2.011 20 0 GEADLO COc1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc(OC)c1Br ZINC000332506983 532856973 /nfs/dbraw/zinc/85/69/73/532856973.db2.gz ILXSMBTWPCYNHG-QWHCGFSZSA-N 1 2 399.285 2.011 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000274824484 532857111 /nfs/dbraw/zinc/85/71/11/532857111.db2.gz KNWJUKYYELPXDK-IUODEOHRSA-N 1 2 386.265 2.158 20 0 GEADLO O=C(NC1CC1)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000274824484 532857112 /nfs/dbraw/zinc/85/71/12/532857112.db2.gz KNWJUKYYELPXDK-IUODEOHRSA-N 1 2 386.265 2.158 20 0 GEADLO C[C@@H]1[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CCOC1(C)C ZINC000332610746 532857679 /nfs/dbraw/zinc/85/76/79/532857679.db2.gz LBJHKWZAWYJHRN-LBPRGKRZSA-N 1 2 398.301 2.003 20 0 GEADLO C[C@@H]1[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CCOC1(C)C ZINC000332610746 532857683 /nfs/dbraw/zinc/85/76/83/532857683.db2.gz LBJHKWZAWYJHRN-LBPRGKRZSA-N 1 2 398.301 2.003 20 0 GEADLO CCOc1c(Br)cc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc1OC ZINC000274894177 532859083 /nfs/dbraw/zinc/85/90/83/532859083.db2.gz FJSKTKWFNKADHE-UHFFFAOYSA-N 1 2 394.269 2.498 20 0 GEADLO CCOc1c(Br)cc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)cc1OC ZINC000274894177 532859085 /nfs/dbraw/zinc/85/90/85/532859085.db2.gz FJSKTKWFNKADHE-UHFFFAOYSA-N 1 2 394.269 2.498 20 0 GEADLO O=S(=O)(c1cc(F)c(Br)cc1F)N1CCn2c[nH+]cc2C1 ZINC000289609331 532860178 /nfs/dbraw/zinc/86/01/78/532860178.db2.gz QTZJRAIDQPONFE-UHFFFAOYSA-N 1 2 378.198 2.128 20 0 GEADLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000333160710 532865431 /nfs/dbraw/zinc/86/54/31/532865431.db2.gz NNIZZRZDJXXTNW-CHWSQXEVSA-N 1 2 382.511 2.359 20 0 GEADLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000333160710 532865434 /nfs/dbraw/zinc/86/54/34/532865434.db2.gz NNIZZRZDJXXTNW-CHWSQXEVSA-N 1 2 382.511 2.359 20 0 GEADLO O=C(NCC1CC[NH+](Cc2ncc(C3OCCO3)s2)CC1)C(F)(F)F ZINC000289846075 532865886 /nfs/dbraw/zinc/86/58/86/532865886.db2.gz VBVILJNMIPDEDV-UHFFFAOYSA-N 1 2 379.404 2.079 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21)c1ccsc1 ZINC000333302129 532866280 /nfs/dbraw/zinc/86/62/80/532866280.db2.gz MNGNWJYEOLBKLS-XHSDSOJGSA-N 1 2 385.555 2.102 20 0 GEADLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)Nc1cccc(I)c1 ZINC000275186320 532868023 /nfs/dbraw/zinc/86/80/23/532868023.db2.gz OCRJPRYWYQUKHB-NXEZZACHSA-N 1 2 399.236 2.098 20 0 GEADLO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000289957088 532868883 /nfs/dbraw/zinc/86/88/83/532868883.db2.gz MPKVNUWTRCFUTL-UONOGXRCSA-N 1 2 380.495 2.271 20 0 GEADLO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000289957085 532869098 /nfs/dbraw/zinc/86/90/98/532869098.db2.gz MPKVNUWTRCFUTL-KGLIPLIRSA-N 1 2 380.495 2.271 20 0 GEADLO COc1cc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)sc1Br ZINC000416315399 532870132 /nfs/dbraw/zinc/87/01/32/532870132.db2.gz URVZBUZHYOHDSC-VHSXEESVSA-N 1 2 377.304 2.046 20 0 GEADLO COc1cc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)sc1Br ZINC000416315399 532870133 /nfs/dbraw/zinc/87/01/33/532870133.db2.gz URVZBUZHYOHDSC-VHSXEESVSA-N 1 2 377.304 2.046 20 0 GEADLO C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)O1 ZINC000333544251 532870678 /nfs/dbraw/zinc/87/06/78/532870678.db2.gz SOPMRGYCMHLUNO-RWSFTLGLSA-N 1 2 384.274 2.433 20 0 GEADLO CN(C)c1cc(NC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)[nH+]cc1Br ZINC000333746179 532872982 /nfs/dbraw/zinc/87/29/82/532872982.db2.gz YUDSLMZSGJXZAQ-ZBEGNZNMSA-N 1 2 399.289 2.370 20 0 GEADLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)CCOCC2CCCC2)C[C@H](C)O1 ZINC000416376325 532872923 /nfs/dbraw/zinc/87/29/23/532872923.db2.gz ORSMKNVDLOIYSV-HOTGVXAUSA-N 1 2 376.563 2.000 20 0 GEADLO COc1cc(Br)c(S(=O)(=O)NCc2c[nH+]cn2C)cc1Cl ZINC000290199359 532875264 /nfs/dbraw/zinc/87/52/64/532875264.db2.gz MRLDPGOMSRTGST-UHFFFAOYSA-N 1 2 394.678 2.323 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)NC[C@@H](O)C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000333978452 532876989 /nfs/dbraw/zinc/87/69/89/532876989.db2.gz DVZYORQVIWBRIT-YNEHKIRRSA-N 1 2 383.773 2.447 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)NC[C@@H](O)C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000333978452 532876990 /nfs/dbraw/zinc/87/69/90/532876990.db2.gz DVZYORQVIWBRIT-YNEHKIRRSA-N 1 2 383.773 2.447 20 0 GEADLO COCCNC(=O)[C@H](CC(C)C)[NH2+]Cc1nc2ccccn2c1Br ZINC000290321999 532878206 /nfs/dbraw/zinc/87/82/06/532878206.db2.gz JPPVYLMZAHZGRU-ZDUSSCGKSA-N 1 2 397.317 2.364 20 0 GEADLO CC(=O)NC[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000290346561 532878528 /nfs/dbraw/zinc/87/85/28/532878528.db2.gz FBFLIUBJDQOAAG-CQSZACIVSA-N 1 2 392.301 2.378 20 0 GEADLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000290346561 532878532 /nfs/dbraw/zinc/87/85/32/532878532.db2.gz FBFLIUBJDQOAAG-CQSZACIVSA-N 1 2 392.301 2.378 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)ncc1Br ZINC000290380461 532879639 /nfs/dbraw/zinc/87/96/39/532879639.db2.gz AZFISWYGZJQYOU-GHMZBOCLSA-N 1 2 388.693 2.433 20 0 GEADLO CS[C@@H]1CN(c2cc(C(C)=O)ccc2S(C)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000275511088 532877345 /nfs/dbraw/zinc/87/73/45/532877345.db2.gz UYHJGMUSNFGFPI-DLBZAZTESA-N 1 2 382.551 2.309 20 0 GEADLO Cc1c[nH+]c(CNc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)n1C ZINC000419723213 532882609 /nfs/dbraw/zinc/88/26/09/532882609.db2.gz FHKSZDKLGOUTMJ-UHFFFAOYSA-N 1 2 384.889 2.015 20 0 GEADLO Cn1c[nH+]cc1Cc1nc(CC(=O)NCc2ccccc2Br)no1 ZINC000350446288 532885911 /nfs/dbraw/zinc/88/59/11/532885911.db2.gz FYEFVEMKXHZEMU-UHFFFAOYSA-N 1 2 390.241 2.015 20 0 GEADLO Cc1cc(N2CCC(Nc3[nH+]cnc4c3c(Br)nn4C)CC2)n[nH]1 ZINC000276005842 532887124 /nfs/dbraw/zinc/88/71/24/532887124.db2.gz LKPRUHYVBATLPX-UHFFFAOYSA-N 1 2 391.277 2.238 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)n1 ZINC000420950623 532887901 /nfs/dbraw/zinc/88/79/01/532887901.db2.gz PUTRJEJMOFMOAL-SNVBAGLBSA-N 1 2 379.404 2.462 20 0 GEADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CCC[C@H](CC(F)(F)F)C2)n1 ZINC000420950623 532887903 /nfs/dbraw/zinc/88/79/03/532887903.db2.gz PUTRJEJMOFMOAL-SNVBAGLBSA-N 1 2 379.404 2.462 20 0 GEADLO C[C@@H](O)C[NH+]1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1 ZINC000275862382 532884589 /nfs/dbraw/zinc/88/45/89/532884589.db2.gz UKCMAYQXUYWWGL-GFCCVEGCSA-N 1 2 383.279 2.042 20 0 GEADLO CCOCCOCC[N@H+](C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000276234290 532891779 /nfs/dbraw/zinc/89/17/79/532891779.db2.gz LCWYNEVGPDNBNY-UHFFFAOYSA-N 1 2 394.331 2.208 20 0 GEADLO CCOCCOCC[N@@H+](C)CCS(=O)(=O)c1cccc(Br)c1 ZINC000276234290 532891780 /nfs/dbraw/zinc/89/17/80/532891780.db2.gz LCWYNEVGPDNBNY-UHFFFAOYSA-N 1 2 394.331 2.208 20 0 GEADLO Cc1[nH+]c2n(c1CN1CCN(C(=O)[C@H]3CSCCS3)CC1)CCCC2 ZINC000362240156 532895336 /nfs/dbraw/zinc/89/53/36/532895336.db2.gz UFAAPEKVFICFLU-MRXNPFEDSA-N 1 2 380.583 2.021 20 0 GEADLO Cc1cccn2cc(C[S@@](=O)Cc3ccc(S(=O)(=O)N(C)C)s3)[nH+]c12 ZINC000424604480 532895826 /nfs/dbraw/zinc/89/58/26/532895826.db2.gz NNSXSFWQKALWAP-XMMPIXPASA-N 1 2 397.547 2.403 20 0 GEADLO Cc1cc(NC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)cc[nH+]1 ZINC000362489796 532896599 /nfs/dbraw/zinc/89/65/99/532896599.db2.gz YANYUXGDFMYYJM-OAHLLOKOSA-N 1 2 389.253 2.279 20 0 GEADLO Cc1cc(N2C[C@H](C(=O)NCc3c[nH+]cn3C)CC2=O)ccc1Br ZINC000291188570 532897794 /nfs/dbraw/zinc/89/77/94/532897794.db2.gz CQSNBIKGWIVBNY-GFCCVEGCSA-N 1 2 391.269 2.160 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000291262687 532899221 /nfs/dbraw/zinc/89/92/21/532899221.db2.gz YYDLLGDHAUDRPO-UHFFFAOYSA-N 1 2 398.282 2.095 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CC[C@H](O)C3)[nH+]c12 ZINC000276684149 532899767 /nfs/dbraw/zinc/89/97/67/532899767.db2.gz VJMBEPSCKUAQLZ-RISCZKNCSA-N 1 2 381.274 2.365 20 0 GEADLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccc(C)cc1Br)CC2 ZINC000363664525 532900291 /nfs/dbraw/zinc/90/02/91/532900291.db2.gz JOWXQXKFCCVZQB-UHFFFAOYSA-N 1 2 377.242 2.243 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CCNC(=O)NCc1c[nH+]cn1C ZINC000291229216 532898921 /nfs/dbraw/zinc/89/89/21/532898921.db2.gz KMVZOXRASBDDDE-UHFFFAOYSA-N 1 2 394.273 2.319 20 0 GEADLO Brc1ccc(C[NH2+]Cc2nnc3n2CCC3)c(N2CCOCC2)c1 ZINC000276643520 532899086 /nfs/dbraw/zinc/89/90/86/532899086.db2.gz HTAYZDXRGHATMX-UHFFFAOYSA-N 1 2 392.301 2.113 20 0 GEADLO O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CC[NH+](C2CCOCC2)CC1 ZINC000363941126 532902155 /nfs/dbraw/zinc/90/21/55/532902155.db2.gz VRHZYTXYAALXSS-UHFFFAOYSA-N 1 2 379.511 2.017 20 0 GEADLO C[C@H](Oc1ccc(I)cc1)C(=O)NCc1c[nH+]cn1C ZINC000291467102 532902405 /nfs/dbraw/zinc/90/24/05/532902405.db2.gz OSKCGJNULKHXST-JTQLQIEISA-N 1 2 385.205 2.108 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCSc2cccc(Cl)c2)CC1 ZINC000291367704 532900866 /nfs/dbraw/zinc/90/08/66/532900866.db2.gz ABJMCEZMPBDJAI-UHFFFAOYSA-N 1 2 383.945 2.493 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCSc2cccc(Cl)c2)CC1 ZINC000291367704 532900867 /nfs/dbraw/zinc/90/08/67/532900867.db2.gz ABJMCEZMPBDJAI-UHFFFAOYSA-N 1 2 383.945 2.493 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H](C)[C@H]3CO)[nH+]c12 ZINC000276788401 532901070 /nfs/dbraw/zinc/90/10/70/532901070.db2.gz QQSGUIVNBZQGFH-IINYFYTJSA-N 1 2 381.274 2.318 20 0 GEADLO CNS(=O)(=O)NC1CC[NH+](Cc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000291614154 532905281 /nfs/dbraw/zinc/90/52/81/532905281.db2.gz RFMOORKPMLPSPE-UHFFFAOYSA-N 1 2 380.539 2.137 20 0 GEADLO CO[C@@H]1C[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1OC ZINC000276892714 532903006 /nfs/dbraw/zinc/90/30/06/532903006.db2.gz NSVYBYZZZLRAGB-OKILXGFUSA-N 1 2 382.258 2.269 20 0 GEADLO CO[C@@H]1C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1OC ZINC000276892714 532903007 /nfs/dbraw/zinc/90/30/07/532903007.db2.gz NSVYBYZZZLRAGB-OKILXGFUSA-N 1 2 382.258 2.269 20 0 GEADLO CC1(C)CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCS1(=O)=O ZINC000291511068 532903140 /nfs/dbraw/zinc/90/31/40/532903140.db2.gz OYRZBHFGUKJXON-CQSZACIVSA-N 1 2 385.555 2.104 20 0 GEADLO COc1cc(Br)c(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)cc1O ZINC000291514651 532903724 /nfs/dbraw/zinc/90/37/24/532903724.db2.gz IQLBZJAPEWXSGO-IUODEOHRSA-N 1 2 385.302 2.458 20 0 GEADLO COc1cc(Br)c(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)cc1O ZINC000291514651 532903725 /nfs/dbraw/zinc/90/37/25/532903725.db2.gz IQLBZJAPEWXSGO-IUODEOHRSA-N 1 2 385.302 2.458 20 0 GEADLO CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@@H](C)[NH+]2CCSCC2)n1 ZINC000276940572 532903929 /nfs/dbraw/zinc/90/39/29/532903929.db2.gz ZFTJZDDZDADSMC-OCCSQVGLSA-N 1 2 383.539 2.421 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1COC1 ZINC000277039715 532906668 /nfs/dbraw/zinc/90/66/68/532906668.db2.gz KCEKMHWBMQYNFZ-UHFFFAOYSA-N 1 2 379.309 2.276 20 0 GEADLO Cc1c(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cnn1C ZINC000291852527 532909594 /nfs/dbraw/zinc/90/95/94/532909594.db2.gz IWZAFALTNLEOSS-UHFFFAOYSA-N 1 2 380.539 2.387 20 0 GEADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1nc(C2CC2)ncc1Br ZINC000291745743 532908181 /nfs/dbraw/zinc/90/81/81/532908181.db2.gz KYIVQRZJYJZEFP-BXUZGUMPSA-N 1 2 395.301 2.052 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1c(F)ccc(Br)c1F ZINC000365507792 532910893 /nfs/dbraw/zinc/91/08/93/532910893.db2.gz JSFFCVOCNVRWDH-SNVBAGLBSA-N 1 2 375.213 2.320 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1c(F)ccc(Br)c1F ZINC000365507792 532910895 /nfs/dbraw/zinc/91/08/95/532910895.db2.gz JSFFCVOCNVRWDH-SNVBAGLBSA-N 1 2 375.213 2.320 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000292028266 532911892 /nfs/dbraw/zinc/91/18/92/532911892.db2.gz WJGLPTBHJRPGHA-LLVKDONJSA-N 1 2 380.242 2.498 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292269922 532914814 /nfs/dbraw/zinc/91/48/14/532914814.db2.gz QBWPQXPOWPXGBE-ZDUSSCGKSA-N 1 2 393.336 2.318 20 0 GEADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292269922 532914815 /nfs/dbraw/zinc/91/48/15/532914815.db2.gz QBWPQXPOWPXGBE-ZDUSSCGKSA-N 1 2 393.336 2.318 20 0 GEADLO COC(=O)[C@H]1C[C@H](NC(=O)C2(c3cccc(Br)c3)CCCC2)C[NH2+]1 ZINC000366171990 532915030 /nfs/dbraw/zinc/91/50/30/532915030.db2.gz OTPFBMCBGRZLFJ-LSDHHAIUSA-N 1 2 395.297 2.281 20 0 GEADLO C[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292105722 532913214 /nfs/dbraw/zinc/91/32/14/532913214.db2.gz GTNZZPFAHZTKGL-LBPRGKRZSA-N 1 2 377.297 2.107 20 0 GEADLO C[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292105722 532913215 /nfs/dbraw/zinc/91/32/15/532913215.db2.gz GTNZZPFAHZTKGL-LBPRGKRZSA-N 1 2 377.297 2.107 20 0 GEADLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000292109454 532913225 /nfs/dbraw/zinc/91/32/25/532913225.db2.gz FTNRUJNJXGKSPD-SNVBAGLBSA-N 1 2 376.272 2.044 20 0 GEADLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000292109454 532913226 /nfs/dbraw/zinc/91/32/26/532913226.db2.gz FTNRUJNJXGKSPD-SNVBAGLBSA-N 1 2 376.272 2.044 20 0 GEADLO CN(C)[C@@H](C(=O)N(C)CCc1cccc(Br)c1)c1c[nH+]cn1C ZINC000292123986 532913433 /nfs/dbraw/zinc/91/34/33/532913433.db2.gz GRWJEEMPMBQHHO-MRXNPFEDSA-N 1 2 379.302 2.486 20 0 GEADLO C[N@H+](CCn1cc(Br)cn1)Cc1cnnn1Cc1ccccc1 ZINC000292770181 532918210 /nfs/dbraw/zinc/91/82/10/532918210.db2.gz KIYFAWZYLJCOEB-UHFFFAOYSA-N 1 2 375.274 2.417 20 0 GEADLO C[N@@H+](CCn1cc(Br)cn1)Cc1cnnn1Cc1ccccc1 ZINC000292770181 532918211 /nfs/dbraw/zinc/91/82/11/532918211.db2.gz KIYFAWZYLJCOEB-UHFFFAOYSA-N 1 2 375.274 2.417 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000366580692 532918981 /nfs/dbraw/zinc/91/89/81/532918981.db2.gz LLCMIVKCTJBOOO-KGLIPLIRSA-N 1 2 390.843 2.075 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000366580692 532918983 /nfs/dbraw/zinc/91/89/83/532918983.db2.gz LLCMIVKCTJBOOO-KGLIPLIRSA-N 1 2 390.843 2.075 20 0 GEADLO NS(=O)(=O)c1cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1Cl ZINC000366945141 532922091 /nfs/dbraw/zinc/92/20/91/532922091.db2.gz JNRCKHPSQZEZLP-HNNXBMFYSA-N 1 2 379.869 2.200 20 0 GEADLO NS(=O)(=O)c1cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)ccc1Cl ZINC000366945141 532922093 /nfs/dbraw/zinc/92/20/93/532922093.db2.gz JNRCKHPSQZEZLP-HNNXBMFYSA-N 1 2 379.869 2.200 20 0 GEADLO Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000366622067 532919299 /nfs/dbraw/zinc/91/92/99/532919299.db2.gz URBBUGRKTABQFN-ZDUSSCGKSA-N 1 2 377.857 2.263 20 0 GEADLO Cc1cc(Br)cn2cc(CNC(=O)N3CCn4c[nH+]cc4C3)nc12 ZINC000292893628 532919768 /nfs/dbraw/zinc/91/97/68/532919768.db2.gz IMUDFBOMPVWOFY-UHFFFAOYSA-N 1 2 389.257 2.327 20 0 GEADLO O=C1CO[C@@H]2CC[N@@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@H]2N1 ZINC000366758070 532921011 /nfs/dbraw/zinc/92/10/11/532921011.db2.gz NVNOSAORQUXRFI-ZIAGYGMSSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@@H]2CC[N@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@H]2N1 ZINC000366758070 532921013 /nfs/dbraw/zinc/92/10/13/532921013.db2.gz NVNOSAORQUXRFI-ZIAGYGMSSA-N 1 2 392.253 2.193 20 0 GEADLO C[C@@H](C(=O)N1CC[C@H](Nc2cccc(Br)c2)C1)[NH+]1CCN(C)CC1 ZINC000366811418 532921300 /nfs/dbraw/zinc/92/13/00/532921300.db2.gz QCJMHNIRXDHGRK-YOEHRIQHSA-N 1 2 395.345 2.098 20 0 GEADLO CCOC(=O)C1(C)CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000367485587 532925488 /nfs/dbraw/zinc/92/54/88/532925488.db2.gz MCIGBEMMWFXDMI-UHFFFAOYSA-N 1 2 384.274 2.448 20 0 GEADLO Cc1[nH]c(=O)c(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cc1Br ZINC000367243483 532923692 /nfs/dbraw/zinc/92/36/92/532923692.db2.gz KOEHSGUEHAKVHZ-AWEZNQCLSA-N 1 2 377.242 2.040 20 0 GEADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ncc(I)s1 ZINC000368046513 532929847 /nfs/dbraw/zinc/92/98/47/532929847.db2.gz YRPOHQXQAHMFAG-QWRGUYRKSA-N 1 2 393.294 2.043 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000368063964 532930015 /nfs/dbraw/zinc/93/00/15/532930015.db2.gz OUHMQJGZANIANE-ONGXEEELSA-N 1 2 375.778 2.365 20 0 GEADLO O=C(C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000368063964 532930016 /nfs/dbraw/zinc/93/00/16/532930016.db2.gz OUHMQJGZANIANE-ONGXEEELSA-N 1 2 375.778 2.365 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[N@@H+]1CC[C@H](Cc2cccc(Cl)c2)C1 ZINC000368227093 532930917 /nfs/dbraw/zinc/93/09/17/532930917.db2.gz NSALTYCCUBIQRI-OAHLLOKOSA-N 1 2 382.917 2.256 20 0 GEADLO CN(C)S(=O)(=O)n1ccnc1C[N@H+]1CC[C@H](Cc2cccc(Cl)c2)C1 ZINC000368227093 532930918 /nfs/dbraw/zinc/93/09/18/532930918.db2.gz NSALTYCCUBIQRI-OAHLLOKOSA-N 1 2 382.917 2.256 20 0 GEADLO Cn1cc(Br)c(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000294024349 532934694 /nfs/dbraw/zinc/93/46/94/532934694.db2.gz FDOLCXPNYYHMGQ-LBPRGKRZSA-N 1 2 387.228 2.494 20 0 GEADLO Cc1nc(N2CCN(C(=O)Nc3ccnc(Br)c3)CC2)cc[nH+]1 ZINC000294250146 532937419 /nfs/dbraw/zinc/93/74/19/532937419.db2.gz PMVODMPSPQSHQA-UHFFFAOYSA-N 1 2 377.246 2.297 20 0 GEADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000368974953 532936200 /nfs/dbraw/zinc/93/62/00/532936200.db2.gz SIQUDSYTRASEMI-KKFJDGPESA-N 1 2 381.230 2.178 20 0 GEADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000368974953 532936201 /nfs/dbraw/zinc/93/62/01/532936201.db2.gz SIQUDSYTRASEMI-KKFJDGPESA-N 1 2 381.230 2.178 20 0 GEADLO O=C(c1ccc2[nH+]ccn2c1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000369531847 532939755 /nfs/dbraw/zinc/93/97/55/532939755.db2.gz LXERGZXKRFOPML-INIZCTEOSA-N 1 2 399.248 2.410 20 0 GEADLO CCS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000370353725 532943074 /nfs/dbraw/zinc/94/30/74/532943074.db2.gz RLNOVNZPBSDIBL-ARFHVFGLSA-N 1 2 376.588 2.018 20 0 GEADLO CCS[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000370353725 532943075 /nfs/dbraw/zinc/94/30/75/532943075.db2.gz RLNOVNZPBSDIBL-ARFHVFGLSA-N 1 2 376.588 2.018 20 0 GEADLO O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370417083 532943376 /nfs/dbraw/zinc/94/33/76/532943376.db2.gz WTVTVAYJORRLFX-IXDOHACOSA-N 1 2 379.298 2.486 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)ccc1Br ZINC000370418963 532943403 /nfs/dbraw/zinc/94/34/03/532943403.db2.gz PXNRPMAIAMCXBS-GFCCVEGCSA-N 1 2 391.269 2.271 20 0 GEADLO O=C1O[C@H](C[NH+]2CCC(O)(c3scnc3Br)CC2)CC12CC2 ZINC000369714922 532940542 /nfs/dbraw/zinc/94/05/42/532940542.db2.gz NGKCLYWNRYKSED-JTQLQIEISA-N 1 2 387.299 2.285 20 0 GEADLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000369725285 532940659 /nfs/dbraw/zinc/94/06/59/532940659.db2.gz IIHSZXCGGXZUMN-KRWDZBQOSA-N 1 2 381.567 2.137 20 0 GEADLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000369725285 532940660 /nfs/dbraw/zinc/94/06/60/532940660.db2.gz IIHSZXCGGXZUMN-KRWDZBQOSA-N 1 2 381.567 2.137 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1SCCc2sccc21 ZINC000369725092 532940672 /nfs/dbraw/zinc/94/06/72/532940672.db2.gz FTCIGSBEVOSKKU-WBVHZDCISA-N 1 2 384.592 2.403 20 0 GEADLO O=C(C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1)N1CCCC1 ZINC000370822876 532945592 /nfs/dbraw/zinc/94/55/92/532945592.db2.gz CSLGWIZZUSNPAT-OAHLLOKOSA-N 1 2 380.286 2.474 20 0 GEADLO O=C(C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1)N1CCCC1 ZINC000370822876 532945593 /nfs/dbraw/zinc/94/55/93/532945593.db2.gz CSLGWIZZUSNPAT-OAHLLOKOSA-N 1 2 380.286 2.474 20 0 GEADLO Cc1cccc2[nH+]c(CNC(=O)c3cc4c(s3)CCS(=O)(=O)C4)cn21 ZINC000370522989 532943992 /nfs/dbraw/zinc/94/39/92/532943992.db2.gz NLYDZUFLTZTLIA-UHFFFAOYSA-N 1 2 375.475 2.105 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCCOC1)c1ccc(Br)cc1 ZINC000370554574 532944167 /nfs/dbraw/zinc/94/41/67/532944167.db2.gz CQHSYPXUEGELPO-QGZVFWFLSA-N 1 2 383.286 2.060 20 0 GEADLO O=S(=O)(c1ccc(C[N@@H+]2CCOC3(CCOCC3)CC2)cc1)C(F)F ZINC000370631135 532944553 /nfs/dbraw/zinc/94/45/53/532944553.db2.gz LKSROHIQXWSPFC-UHFFFAOYSA-N 1 2 375.437 2.454 20 0 GEADLO O=S(=O)(c1ccc(C[N@H+]2CCOC3(CCOCC3)CC2)cc1)C(F)F ZINC000370631135 532944554 /nfs/dbraw/zinc/94/45/54/532944554.db2.gz LKSROHIQXWSPFC-UHFFFAOYSA-N 1 2 375.437 2.454 20 0 GEADLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1-n1cncn1 ZINC000371356487 532947653 /nfs/dbraw/zinc/94/76/53/532947653.db2.gz XVWLAGMDHYOHFH-NSHDSACASA-N 1 2 387.241 2.040 20 0 GEADLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)cc1-n1cncn1 ZINC000371356487 532947654 /nfs/dbraw/zinc/94/76/54/532947654.db2.gz XVWLAGMDHYOHFH-NSHDSACASA-N 1 2 387.241 2.040 20 0 GEADLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CCCOC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000371703823 532949298 /nfs/dbraw/zinc/94/92/98/532949298.db2.gz PYTWHMRICJAJCR-GDBMZVCRSA-N 1 2 380.432 2.195 20 0 GEADLO CC[N@H+]1CC[C@@H](NS(=O)(=O)CCCOC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000371703823 532949299 /nfs/dbraw/zinc/94/92/99/532949299.db2.gz PYTWHMRICJAJCR-GDBMZVCRSA-N 1 2 380.432 2.195 20 0 GEADLO Cn1cnnc1SCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000371077682 532946741 /nfs/dbraw/zinc/94/67/41/532946741.db2.gz TYUNCLZRUYUPRS-HIFRSBDPSA-N 1 2 383.880 2.261 20 0 GEADLO Cn1cnnc1SCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000371077682 532946742 /nfs/dbraw/zinc/94/67/42/532946742.db2.gz TYUNCLZRUYUPRS-HIFRSBDPSA-N 1 2 383.880 2.261 20 0 GEADLO Cn1cnnc1SCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000371077891 532946794 /nfs/dbraw/zinc/94/67/94/532946794.db2.gz TYUNCLZRUYUPRS-UKRRQHHQSA-N 1 2 383.880 2.261 20 0 GEADLO Cn1cnnc1SCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000371077891 532946795 /nfs/dbraw/zinc/94/67/95/532946795.db2.gz TYUNCLZRUYUPRS-UKRRQHHQSA-N 1 2 383.880 2.261 20 0 GEADLO Cc1cc(C(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)ccc1Br ZINC000371084049 532946962 /nfs/dbraw/zinc/94/69/62/532946962.db2.gz AWMCPRNJMRLTMK-UHFFFAOYSA-N 1 2 394.313 2.313 20 0 GEADLO Cn1cc[nH+]c1CNC(=O)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000371731762 532949544 /nfs/dbraw/zinc/94/95/44/532949544.db2.gz FTCKGJLXNFERIG-UHFFFAOYSA-N 1 2 381.278 2.001 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)sc2C1 ZINC000053760150 222012620 /nfs/dbraw/zinc/01/26/20/222012620.db2.gz IFVIZYFIJMJMKJ-SNVBAGLBSA-N 1 2 392.431 2.401 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)sc2C1 ZINC000053760150 222012622 /nfs/dbraw/zinc/01/26/22/222012622.db2.gz IFVIZYFIJMJMKJ-SNVBAGLBSA-N 1 2 392.431 2.401 20 0 GEADLO COc1ncccc1C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000063699547 222067189 /nfs/dbraw/zinc/06/71/89/222067189.db2.gz JBCJIEZFPSKZGC-UHFFFAOYSA-N 1 2 385.855 2.349 20 0 GEADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCO[C@H](Cn3cccn3)C2)nc[nH+]1 ZINC000275793727 570700136 /nfs/dbraw/zinc/70/01/36/570700136.db2.gz UIGKFKRORDJXHI-QKLQHJQFSA-N 1 2 386.500 2.194 20 0 GEADLO CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCO[C@H](Cn3cccn3)C2)[nH+]cn1 ZINC000275793727 570700139 /nfs/dbraw/zinc/70/01/39/570700139.db2.gz UIGKFKRORDJXHI-QKLQHJQFSA-N 1 2 386.500 2.194 20 0 GEADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(-c3nn[nH]n3)nc2)C[C@H](C)O1 ZINC000736287825 598993783 /nfs/dbraw/zinc/99/37/83/598993783.db2.gz GHGQGKRFJWIJRP-KBPBESRZSA-N 1 2 393.451 2.123 20 0 GEADLO Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000737224824 598997850 /nfs/dbraw/zinc/99/78/50/598997850.db2.gz HQUFCZNTMCDSLD-UHFFFAOYSA-N 1 2 381.421 2.162 20 0 GEADLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(-c4nn[nH]n4)nc3)n2)CC1 ZINC000736276171 599023384 /nfs/dbraw/zinc/02/33/84/599023384.db2.gz MKZZLODPAVTFLZ-UHFFFAOYSA-N 1 2 384.469 2.202 20 0 GEADLO CCc1cc(-c2nn[nH]n2)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000736678710 599035071 /nfs/dbraw/zinc/03/50/71/599035071.db2.gz FTCGNSCEYJVTLG-MRXNPFEDSA-N 1 2 398.492 2.330 20 0 GEADLO CCc1cc(-c2nn[nH]n2)c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000736678710 599035074 /nfs/dbraw/zinc/03/50/74/599035074.db2.gz FTCGNSCEYJVTLG-MRXNPFEDSA-N 1 2 398.492 2.330 20 0 GEADLO CCn1ccnc1C[N@@H+]1CCCN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736721438 599053614 /nfs/dbraw/zinc/05/36/14/599053614.db2.gz AGPPFHAUPOAANV-UHFFFAOYSA-N 1 2 386.891 2.449 20 0 GEADLO CCn1ccnc1C[N@H+]1CCCN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736721438 599053617 /nfs/dbraw/zinc/05/36/17/599053617.db2.gz AGPPFHAUPOAANV-UHFFFAOYSA-N 1 2 386.891 2.449 20 0 GEADLO C[N@H+](CCOc1cccc(Cl)c1)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736801272 599067592 /nfs/dbraw/zinc/06/75/92/599067592.db2.gz GVPZVCQCURRWRJ-MRXNPFEDSA-N 1 2 386.843 2.057 20 0 GEADLO C[N@@H+](CCOc1cccc(Cl)c1)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736801272 599067595 /nfs/dbraw/zinc/06/75/95/599067595.db2.gz GVPZVCQCURRWRJ-MRXNPFEDSA-N 1 2 386.843 2.057 20 0 GEADLO O=C(C[N@@H+]1CCSC[C@@H]1c1ccccc1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737884529 599081642 /nfs/dbraw/zinc/08/16/42/599081642.db2.gz NVBTTYMJTZOANZ-GOSISDBHSA-N 1 2 394.504 2.273 20 0 GEADLO O=C(C[N@H+]1CCSC[C@@H]1c1ccccc1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737884529 599081645 /nfs/dbraw/zinc/08/16/45/599081645.db2.gz NVBTTYMJTZOANZ-GOSISDBHSA-N 1 2 394.504 2.273 20 0 GEADLO CCc1nsc(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)n1 ZINC000821559300 599098967 /nfs/dbraw/zinc/09/89/67/599098967.db2.gz ZVHTXJCAYJCMRZ-UHFFFAOYSA-N 1 2 393.480 2.155 20 0 GEADLO FC(F)(F)CN1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000737625739 599149000 /nfs/dbraw/zinc/14/90/00/599149000.db2.gz AUBQJULGWNCCOB-UHFFFAOYSA-N 1 2 377.374 2.489 20 0 GEADLO C[C@@H](NC(=O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820328604 599206252 /nfs/dbraw/zinc/20/62/52/599206252.db2.gz PVAZKSPREBLHPQ-CQSZACIVSA-N 1 2 389.419 2.309 20 0 GEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000822449719 607265857 /nfs/dbraw/zinc/26/58/57/607265857.db2.gz LUMMRIAHIDTZCL-TWGQIWQCSA-N 1 2 391.435 2.059 20 0 GEADLO CCCNC(=O)C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC1 ZINC000736480719 599264207 /nfs/dbraw/zinc/26/42/07/599264207.db2.gz LGXXCQDQSAIKGI-UHFFFAOYSA-N 1 2 379.468 2.466 20 0 GEADLO Fc1cc(NCc2cnc3ccc(-c4nn[nH]n4)cn23)ccc1-n1cc[nH+]c1 ZINC000822753304 607313591 /nfs/dbraw/zinc/31/35/91/607313591.db2.gz MHDAAOMTKAMPLK-UHFFFAOYSA-N 1 2 375.371 2.451 20 0 GEADLO O=C(c1ccoc1)N1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000738290300 599265396 /nfs/dbraw/zinc/26/53/96/599265396.db2.gz QBEQLKAZOQMGPX-UHFFFAOYSA-N 1 2 389.419 2.147 20 0 GEADLO CCCCCC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736444977 598253263 /nfs/dbraw/zinc/25/32/63/598253263.db2.gz IONKJJISAGWIPB-QGZVFWFLSA-N 1 2 399.543 2.464 20 0 GEADLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000736947526 598256261 /nfs/dbraw/zinc/25/62/61/598256261.db2.gz NCILBPGOUOVOEN-UHFFFAOYSA-N 1 2 396.426 2.115 20 0 GEADLO O=C(NCCCn1cc[nH+]c1)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000738074698 598358570 /nfs/dbraw/zinc/35/85/70/598358570.db2.gz HQOUMZVJGWYPDV-UHFFFAOYSA-N 1 2 393.407 2.055 20 0 GEADLO CC(C)(C)OC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000735633018 598515618 /nfs/dbraw/zinc/51/56/18/598515618.db2.gz LAGYOADWTUEBPV-UHFFFAOYSA-N 1 2 381.440 2.472 20 0 GEADLO COc1ccccc1C[NH+]1CCN(CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737151151 598553541 /nfs/dbraw/zinc/55/35/41/598553541.db2.gz YIEYKIRXVFPSFO-UHFFFAOYSA-N 1 2 394.479 2.072 20 0 GEADLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000736817765 598600951 /nfs/dbraw/zinc/60/09/51/598600951.db2.gz JEPUJGRVNDINME-QGZVFWFLSA-N 1 2 380.427 2.411 20 0 GEADLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000736817765 598600953 /nfs/dbraw/zinc/60/09/53/598600953.db2.gz JEPUJGRVNDINME-QGZVFWFLSA-N 1 2 380.427 2.411 20 0 GEADLO CN(CCn1cccn1)c1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000736813913 598678720 /nfs/dbraw/zinc/67/87/20/598678720.db2.gz GGEOJIPACHZZLS-UHFFFAOYSA-N 1 2 386.366 2.349 20 0 GEADLO Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)cn1 ZINC000737603820 598685688 /nfs/dbraw/zinc/68/56/88/598685688.db2.gz CZODVJFJEPDEKY-HNNXBMFYSA-N 1 2 386.847 2.029 20 0 GEADLO Cn1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)cn1 ZINC000737603820 598685689 /nfs/dbraw/zinc/68/56/89/598685689.db2.gz CZODVJFJEPDEKY-HNNXBMFYSA-N 1 2 386.847 2.029 20 0 GEADLO O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)NCc1cn2c([nH+]1)CCCC2 ZINC000737833608 598687986 /nfs/dbraw/zinc/68/79/86/598687986.db2.gz XXIHWWOBJKIBCW-UHFFFAOYSA-N 1 2 395.467 2.265 20 0 GEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000735590365 598701043 /nfs/dbraw/zinc/70/10/43/598701043.db2.gz XSWPXMVOTYSPBK-HNNXBMFYSA-N 1 2 385.497 2.386 20 0 GEADLO C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000736800807 598705084 /nfs/dbraw/zinc/70/50/84/598705084.db2.gz BCNGIDWQHVQTDK-UHFFFAOYSA-N 1 2 383.437 2.088 20 0 GEADLO C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000736800807 598705085 /nfs/dbraw/zinc/70/50/85/598705085.db2.gz BCNGIDWQHVQTDK-UHFFFAOYSA-N 1 2 383.437 2.088 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000737058420 599384526 /nfs/dbraw/zinc/38/45/26/599384526.db2.gz LMYNFTYYNGIAMJ-CYBMUJFWSA-N 1 2 378.436 2.261 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000737058420 599384531 /nfs/dbraw/zinc/38/45/31/599384531.db2.gz LMYNFTYYNGIAMJ-CYBMUJFWSA-N 1 2 378.436 2.261 20 0 GEADLO NC(=O)[C@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850740 599387409 /nfs/dbraw/zinc/38/74/09/599387409.db2.gz PIVXZPWTNYJMNA-LJQANCHMSA-N 1 2 385.431 2.245 20 0 GEADLO O=C(Nc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)c1)c1ccncc1 ZINC000823363494 599414034 /nfs/dbraw/zinc/41/40/34/599414034.db2.gz GDXCIZYEIXQIRK-UHFFFAOYSA-N 1 2 375.392 2.397 20 0 GEADLO Brc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc2c1OCCO2 ZINC000819689222 599417052 /nfs/dbraw/zinc/41/70/52/599417052.db2.gz XYKIINPVWFXULB-UHFFFAOYSA-N 1 2 392.213 2.283 20 0 GEADLO O=C(NCc1cc(-c2nn[nH]n2)ccc1F)NCc1ccccc1-n1cc[nH+]c1 ZINC000823238602 599424492 /nfs/dbraw/zinc/42/44/92/599424492.db2.gz QDYLLNXHPUFLEE-UHFFFAOYSA-N 1 2 392.398 2.191 20 0 GEADLO O=C(C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)Nc1nc2c(s1)CCC2 ZINC000737863705 599445867 /nfs/dbraw/zinc/44/58/67/599445867.db2.gz HBJVLBMSISMEET-UHFFFAOYSA-N 1 2 395.492 2.415 20 0 GEADLO O=C(C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)Nc1nc2c(s1)CCC2 ZINC000737863705 599445869 /nfs/dbraw/zinc/44/58/69/599445869.db2.gz HBJVLBMSISMEET-UHFFFAOYSA-N 1 2 395.492 2.415 20 0 GEADLO CCO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000736612614 599474881 /nfs/dbraw/zinc/47/48/81/599474881.db2.gz AVMYYKINPXAMSN-CQSZACIVSA-N 1 2 398.471 2.060 20 0 GEADLO CCO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000736612614 599474882 /nfs/dbraw/zinc/47/48/82/599474882.db2.gz AVMYYKINPXAMSN-CQSZACIVSA-N 1 2 398.471 2.060 20 0 GEADLO CCN(Cc1ccccc1)C(=O)CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000821222703 599492857 /nfs/dbraw/zinc/49/28/57/599492857.db2.gz XJYRHYXLEYSVRK-UHFFFAOYSA-N 1 2 387.447 2.297 20 0 GEADLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2c(Cl)cccc2-c2nn[nH]n2)CC1 ZINC000822491551 599534853 /nfs/dbraw/zinc/53/48/53/599534853.db2.gz DHKQQQDCFZEWAL-UHFFFAOYSA-N 1 2 386.891 2.193 20 0 GEADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[C@H](N2CCCC2=O)C1 ZINC000822332283 599551115 /nfs/dbraw/zinc/55/11/15/599551115.db2.gz MPIRWOJNCSCIDZ-AWEZNQCLSA-N 1 2 377.452 2.315 20 0 GEADLO CC(C)OC(=O)N1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000820142108 599553864 /nfs/dbraw/zinc/55/38/64/599553864.db2.gz GFEFWDSZZBLISK-UHFFFAOYSA-N 1 2 381.440 2.258 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCS[C@@H](C(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822541231 599644882 /nfs/dbraw/zinc/64/48/82/599644882.db2.gz LLVGQHLSPICXBD-DGCLKSJQSA-N 1 2 378.502 2.477 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@@H](C(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822541231 599644883 /nfs/dbraw/zinc/64/48/83/599644883.db2.gz LLVGQHLSPICXBD-DGCLKSJQSA-N 1 2 378.502 2.477 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736785361 600285216 /nfs/dbraw/zinc/28/52/16/600285216.db2.gz SFLZIWIMASBXHC-FGTMMUONSA-N 1 2 379.545 2.285 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736785361 600285217 /nfs/dbraw/zinc/28/52/17/600285217.db2.gz SFLZIWIMASBXHC-FGTMMUONSA-N 1 2 379.545 2.285 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000736785361 600285219 /nfs/dbraw/zinc/28/52/19/600285219.db2.gz SFLZIWIMASBXHC-FGTMMUONSA-N 1 2 379.545 2.285 20 0 GEADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000736785361 600285221 /nfs/dbraw/zinc/28/52/21/600285221.db2.gz SFLZIWIMASBXHC-FGTMMUONSA-N 1 2 379.545 2.285 20 0 GEADLO CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000737505062 600317781 /nfs/dbraw/zinc/31/77/81/600317781.db2.gz CGPRTPZBXVNXIU-IBGZPJMESA-N 1 2 395.463 2.255 20 0 GEADLO O=C(NCC[NH+]1Cc2ccccc2C1)NC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826437505 607456202 /nfs/dbraw/zinc/45/62/02/607456202.db2.gz ONMXKJZAFXDIFY-UHFFFAOYSA-N 1 2 389.463 2.171 20 0 GEADLO Clc1ccc(OCC[NH+]2CCN(Cc3ccnc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826352576 607482721 /nfs/dbraw/zinc/48/27/21/607482721.db2.gz GHYONVVDNHNDMK-UHFFFAOYSA-N 1 2 399.886 2.112 20 0 GEADLO Fc1ccc(CN2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)c(Cl)c1 ZINC000826375071 607482858 /nfs/dbraw/zinc/48/28/58/607482858.db2.gz YKJDNMXPVYWFPJ-UHFFFAOYSA-N 1 2 387.850 2.372 20 0 GEADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000830923815 601052001 /nfs/dbraw/zinc/05/20/01/601052001.db2.gz SJNXCNLEWCGGPF-UHFFFAOYSA-N 1 2 391.516 2.286 20 0 GEADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000830923815 601052003 /nfs/dbraw/zinc/05/20/03/601052003.db2.gz SJNXCNLEWCGGPF-UHFFFAOYSA-N 1 2 391.516 2.286 20 0 GEADLO C[C@@H](C(=O)[O-])[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000826051925 601652141 /nfs/dbraw/zinc/65/21/41/601652141.db2.gz FIJFVAUJBJQMKU-DYESRHJHSA-N 1 2 396.491 2.172 20 0 GEADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000825998751 607527335 /nfs/dbraw/zinc/52/73/35/607527335.db2.gz BLZHEVSTPNFBBT-HNNXBMFYSA-N 1 2 391.439 2.160 20 0 GEADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000825998751 607527336 /nfs/dbraw/zinc/52/73/36/607527336.db2.gz BLZHEVSTPNFBBT-HNNXBMFYSA-N 1 2 391.439 2.160 20 0 GEADLO C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739708966 602222803 /nfs/dbraw/zinc/22/28/03/602222803.db2.gz BLXWUENUXSQLDI-UXHICEINSA-N 1 2 375.513 2.334 20 0 GEADLO C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739708966 602222806 /nfs/dbraw/zinc/22/28/06/602222806.db2.gz BLXWUENUXSQLDI-UXHICEINSA-N 1 2 375.513 2.334 20 0 GEADLO CCc1ncsc1NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825754894 607621291 /nfs/dbraw/zinc/62/12/91/607621291.db2.gz IVUAXXXLRCGQQA-UHFFFAOYSA-N 1 2 398.496 2.235 20 0 GEADLO COc1ccc(-c2nn[nH]n2)cc1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000826181865 607637024 /nfs/dbraw/zinc/63/70/24/607637024.db2.gz QFTFSAYNGZZINL-UHFFFAOYSA-N 1 2 394.479 2.214 20 0 GEADLO CN(C(=O)[O-])[C@H]1CC[N@H+](CCC[NH+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC000827890790 603849246 /nfs/dbraw/zinc/84/92/46/603849246.db2.gz UASSJMIFXNTEHP-HOTGVXAUSA-N 1 2 384.521 2.002 20 0 GEADLO CN(C(=O)[O-])[C@H]1CC[N@@H+](CCC[NH+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC000827890790 603849247 /nfs/dbraw/zinc/84/92/47/603849247.db2.gz UASSJMIFXNTEHP-HOTGVXAUSA-N 1 2 384.521 2.002 20 0 GEADLO CN(C(=O)[O-])[C@H]1CC[NH+](CCC[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC000827890790 603849249 /nfs/dbraw/zinc/84/92/49/603849249.db2.gz UASSJMIFXNTEHP-HOTGVXAUSA-N 1 2 384.521 2.002 20 0 GEADLO CN(C(=O)[O-])[C@H]1CC[NH+](CCC[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1 ZINC000827890790 603849251 /nfs/dbraw/zinc/84/92/51/603849251.db2.gz UASSJMIFXNTEHP-HOTGVXAUSA-N 1 2 384.521 2.002 20 0 GEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)cc1 ZINC000824347647 607683730 /nfs/dbraw/zinc/68/37/30/607683730.db2.gz IYYCROXMEKQLIR-UHFFFAOYSA-N 1 2 379.468 2.276 20 0 GEADLO C[C@@]1([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCC[C@H]1C(=O)[O-] ZINC000833569169 604819425 /nfs/dbraw/zinc/81/94/25/604819425.db2.gz JCHAFJHXVWICIT-GHTZIAJQSA-N 1 2 389.496 2.080 20 0 GEADLO O=C([O-])CCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)CC1 ZINC000833773841 605223988 /nfs/dbraw/zinc/22/39/88/605223988.db2.gz TUXFBNVBCRYZRH-FQEVSTJZSA-N 1 2 387.524 2.139 20 0 GEADLO O=C([O-])CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000833773304 605228135 /nfs/dbraw/zinc/22/81/35/605228135.db2.gz LAWZNIIMOLAHKX-QGZVFWFLSA-N 1 2 379.888 2.364 20 0 GEADLO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1-c1nn[nH]n1 ZINC000826193471 607749649 /nfs/dbraw/zinc/74/96/49/607749649.db2.gz DXPJGNRBDVABFF-SUMWQHHRSA-N 1 2 387.390 2.461 20 0 GEADLO COc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1-c1nn[nH]n1 ZINC000826193471 607749650 /nfs/dbraw/zinc/74/96/50/607749650.db2.gz DXPJGNRBDVABFF-SUMWQHHRSA-N 1 2 387.390 2.461 20 0 GEADLO O=C([O-])N1CC[C@@]2(C1)C[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)c1ccccc1O2 ZINC000834082342 605636093 /nfs/dbraw/zinc/63/60/93/605636093.db2.gz DUDFPRCHWNNBSE-STHPQGGCSA-N 1 2 387.480 2.086 20 0 GEADLO O=C([O-])N1CC[C@@]2(C1)C[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)c1ccccc1O2 ZINC000834082342 605636098 /nfs/dbraw/zinc/63/60/98/605636098.db2.gz DUDFPRCHWNNBSE-STHPQGGCSA-N 1 2 387.480 2.086 20 0 GEADLO Cc1cc(NCCNC(=O)c2cc(S(C)(=O)=O)cs2)nc(C(C)C)[nH+]1 ZINC000529846141 649960856 /nfs/dbraw/zinc/96/08/56/649960856.db2.gz SUFUNOZYDMAJLM-UHFFFAOYSA-N 1 2 382.511 2.215 20 0 GEADLO O=C(Nc1nc(-c2cccc(-c3nn[nH]n3)c2)cs1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000826459263 607771704 /nfs/dbraw/zinc/77/17/04/607771704.db2.gz CCPIDGHECBDUFK-CYBMUJFWSA-N 1 2 392.448 2.388 20 0 GEADLO O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000834102270 605987402 /nfs/dbraw/zinc/98/74/02/605987402.db2.gz CYABQJJLYWXXIL-JSXRDJHFSA-N 1 2 387.524 2.306 20 0 GEADLO O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000834102270 605987403 /nfs/dbraw/zinc/98/74/03/605987403.db2.gz CYABQJJLYWXXIL-JSXRDJHFSA-N 1 2 387.524 2.306 20 0 GEADLO c1ccc(C[NH+]2CCN(CCCCNc3ccc(-c4nn[nH]n4)nc3)CC2)cc1 ZINC000823779402 606052728 /nfs/dbraw/zinc/05/27/28/606052728.db2.gz CHKZKSBWNZICQD-UHFFFAOYSA-N 1 2 392.511 2.272 20 0 GEADLO C[C@]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000820427890 606114836 /nfs/dbraw/zinc/11/48/36/606114836.db2.gz VSXKGHMEFDDIQY-QGZVFWFLSA-N 1 2 390.369 2.376 20 0 GEADLO CC[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C)cc1 ZINC000821215307 606187175 /nfs/dbraw/zinc/18/71/75/606187175.db2.gz PORJEBBNTHBYNL-UHFFFAOYSA-N 1 2 385.493 2.471 20 0 GEADLO CC[N@@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C)cc1 ZINC000821215307 606187177 /nfs/dbraw/zinc/18/71/77/606187177.db2.gz PORJEBBNTHBYNL-UHFFFAOYSA-N 1 2 385.493 2.471 20 0 GEADLO O=S(=O)(CC[N@H+](CCc1ccccc1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561687 606188773 /nfs/dbraw/zinc/18/87/73/606188773.db2.gz JACCWYNSROAVAG-UHFFFAOYSA-N 1 2 397.504 2.348 20 0 GEADLO O=S(=O)(CC[N@@H+](CCc1ccccc1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561687 606188775 /nfs/dbraw/zinc/18/87/75/606188775.db2.gz JACCWYNSROAVAG-UHFFFAOYSA-N 1 2 397.504 2.348 20 0 GEADLO CN1CC[NH+](CCOc2ccc(NCc3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000821627015 606223213 /nfs/dbraw/zinc/22/32/13/606223213.db2.gz JHSKHEXYDOXKKP-UHFFFAOYSA-N 1 2 399.524 2.167 20 0 GEADLO FC(F)(F)[C@H]1CCCn2c(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)nnc21 ZINC000822714266 606224241 /nfs/dbraw/zinc/22/42/41/606224241.db2.gz JCSZXTZUECIDSV-JTQLQIEISA-N 1 2 384.391 2.249 20 0 GEADLO Cc1cccc2c1CC[N@@H+]([C@H]1CCN(c3sccc3-c3nn[nH]n3)C1=O)C2 ZINC000822341057 606321500 /nfs/dbraw/zinc/32/15/00/606321500.db2.gz SJMWNCVPPINMKJ-INIZCTEOSA-N 1 2 380.477 2.400 20 0 GEADLO Cc1cccc2c1CC[N@H+]([C@H]1CCN(c3sccc3-c3nn[nH]n3)C1=O)C2 ZINC000822341057 606321501 /nfs/dbraw/zinc/32/15/01/606321501.db2.gz SJMWNCVPPINMKJ-INIZCTEOSA-N 1 2 380.477 2.400 20 0 GEADLO C[N@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445885855 649965517 /nfs/dbraw/zinc/96/55/17/649965517.db2.gz MLVZVYFTSQMJPE-CYBMUJFWSA-N 1 2 382.258 2.193 20 0 GEADLO C[N@@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445885855 649965523 /nfs/dbraw/zinc/96/55/23/649965523.db2.gz MLVZVYFTSQMJPE-CYBMUJFWSA-N 1 2 382.258 2.193 20 0 GEADLO C[C@@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820486916 606358712 /nfs/dbraw/zinc/35/87/12/606358712.db2.gz DNAYAFAQMKLFHT-DNVCBOLYSA-N 1 2 393.447 2.372 20 0 GEADLO C[C@@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820486916 606358714 /nfs/dbraw/zinc/35/87/14/606358714.db2.gz DNAYAFAQMKLFHT-DNVCBOLYSA-N 1 2 393.447 2.372 20 0 GEADLO CNC(=O)Cc1nc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)cs1 ZINC000821634270 606434074 /nfs/dbraw/zinc/43/40/74/606434074.db2.gz ZWDHMMPAYZSLKG-UHFFFAOYSA-N 1 2 399.524 2.270 20 0 GEADLO CNC(=O)Cc1nc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)cs1 ZINC000821634270 606434077 /nfs/dbraw/zinc/43/40/77/606434077.db2.gz ZWDHMMPAYZSLKG-UHFFFAOYSA-N 1 2 399.524 2.270 20 0 GEADLO CN(C[C@H]1CCOC1)c1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000821598132 606474569 /nfs/dbraw/zinc/47/45/69/606474569.db2.gz RKNLTLFQHNFERM-SNVBAGLBSA-N 1 2 376.367 2.489 20 0 GEADLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821334878 606483033 /nfs/dbraw/zinc/48/30/33/606483033.db2.gz SBSKJBBDMFFDCG-ZDUSSCGKSA-N 1 2 396.398 2.179 20 0 GEADLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821334878 606483035 /nfs/dbraw/zinc/48/30/35/606483035.db2.gz SBSKJBBDMFFDCG-ZDUSSCGKSA-N 1 2 396.398 2.179 20 0 GEADLO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000821277790 606536859 /nfs/dbraw/zinc/53/68/59/606536859.db2.gz YZHNELWHEPXYQP-UHFFFAOYSA-N 1 2 397.508 2.318 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3cccc(-c4nn[nH]n4)c3)CC2)s1 ZINC000821486566 606568116 /nfs/dbraw/zinc/56/81/16/606568116.db2.gz GPAHTOOFALOJEM-UHFFFAOYSA-N 1 2 396.520 2.378 20 0 GEADLO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000820528742 606577248 /nfs/dbraw/zinc/57/72/48/606577248.db2.gz NODYGWRXBITJBL-KXBFYZLASA-N 1 2 392.463 2.149 20 0 GEADLO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000820528742 606577250 /nfs/dbraw/zinc/57/72/50/606577250.db2.gz NODYGWRXBITJBL-KXBFYZLASA-N 1 2 392.463 2.149 20 0 GEADLO C[C@@H](N1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1)C(F)(F)F ZINC000820308821 606615819 /nfs/dbraw/zinc/61/58/19/606615819.db2.gz YWOUEJDSAZIYPC-GFCCVEGCSA-N 1 2 379.390 2.188 20 0 GEADLO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+](C)CCOCC1CC1 ZINC000819877191 606719325 /nfs/dbraw/zinc/71/93/25/606719325.db2.gz QRKXLEJLMWSBCP-NSHDSACASA-N 1 2 390.513 2.102 20 0 GEADLO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@@H+](C)CCOCC1CC1 ZINC000819877191 606719327 /nfs/dbraw/zinc/71/93/27/606719327.db2.gz QRKXLEJLMWSBCP-NSHDSACASA-N 1 2 390.513 2.102 20 0 GEADLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000822694066 606847774 /nfs/dbraw/zinc/84/77/74/606847774.db2.gz TZMOZDSOZKXFJF-QZTJIDSGSA-N 1 2 393.426 2.152 20 0 GEADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000821267763 606851511 /nfs/dbraw/zinc/85/15/11/606851511.db2.gz QNOOODFPYDSYKN-NSHDSACASA-N 1 2 380.905 2.165 20 0 GEADLO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)s1 ZINC000821669082 606881263 /nfs/dbraw/zinc/88/12/63/606881263.db2.gz XFJUNRFZZZQUFN-UHFFFAOYSA-N 1 2 384.465 2.037 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000821702435 606914405 /nfs/dbraw/zinc/91/44/05/606914405.db2.gz STSNYAOCYHHULV-AWEZNQCLSA-N 1 2 389.456 2.060 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000821702435 606914406 /nfs/dbraw/zinc/91/44/06/606914406.db2.gz STSNYAOCYHHULV-AWEZNQCLSA-N 1 2 389.456 2.060 20 0 GEADLO C[C@@H](Sc1cccc(-c2nn[nH]n2)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000820556609 607009688 /nfs/dbraw/zinc/00/96/88/607009688.db2.gz UTYTVNFXQJLFCG-CQSZACIVSA-N 1 2 395.492 2.091 20 0 GEADLO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000819992007 607055072 /nfs/dbraw/zinc/05/50/72/607055072.db2.gz OJRVHSQYDOBLIL-UHFFFAOYSA-N 1 2 381.440 2.153 20 0 GEADLO COc1cccc(OCCN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821877485 607077013 /nfs/dbraw/zinc/07/70/13/607077013.db2.gz LCQGMEWHBNFJHH-UHFFFAOYSA-N 1 2 394.479 2.072 20 0 GEADLO COc1cccc(OCC[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821877485 607077014 /nfs/dbraw/zinc/07/70/14/607077014.db2.gz LCQGMEWHBNFJHH-UHFFFAOYSA-N 1 2 394.479 2.072 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](OCC(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822540441 607089463 /nfs/dbraw/zinc/08/94/63/607089463.db2.gz AVWYZDSJXDRZGL-TZMCWYRMSA-N 1 2 376.461 2.150 20 0 GEADLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](OCC(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822540441 607089464 /nfs/dbraw/zinc/08/94/64/607089464.db2.gz AVWYZDSJXDRZGL-TZMCWYRMSA-N 1 2 376.461 2.150 20 0 GEADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)C2)o1 ZINC000822389499 607194446 /nfs/dbraw/zinc/19/44/46/607194446.db2.gz YUTBHTJVZSWQQV-OAHLLOKOSA-N 1 2 396.455 2.210 20 0 GEADLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)C2)o1 ZINC000822389499 607194447 /nfs/dbraw/zinc/19/44/47/607194447.db2.gz YUTBHTJVZSWQQV-OAHLLOKOSA-N 1 2 396.455 2.210 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCc2nccs2)c(-c2nn[nH]n2)c1C ZINC000826342140 607802531 /nfs/dbraw/zinc/80/25/31/607802531.db2.gz YZNFXCUUVNQSGW-JTQLQIEISA-N 1 2 375.458 2.035 20 0 GEADLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCc2nccs2)c(-c2nn[nH]n2)c1C ZINC000826342140 607802532 /nfs/dbraw/zinc/80/25/32/607802532.db2.gz YZNFXCUUVNQSGW-JTQLQIEISA-N 1 2 375.458 2.035 20 0 GEADLO O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000826452344 607803406 /nfs/dbraw/zinc/80/34/06/607803406.db2.gz QDUBQWPJOAENOC-LBPRGKRZSA-N 1 2 384.831 2.316 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1Cl ZINC000826195104 607813379 /nfs/dbraw/zinc/81/33/79/607813379.db2.gz IIDMRCXKOHAOSH-UHFFFAOYSA-N 1 2 385.859 2.246 20 0 GEADLO C[C@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825028027 607828119 /nfs/dbraw/zinc/82/81/19/607828119.db2.gz CYIURBVMXFTUDV-AWEZNQCLSA-N 1 2 383.477 2.260 20 0 GEADLO C[C@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825028027 607828120 /nfs/dbraw/zinc/82/81/20/607828120.db2.gz CYIURBVMXFTUDV-AWEZNQCLSA-N 1 2 383.477 2.260 20 0 GEADLO Cc1c(CNc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)cnn1C ZINC000826236537 607966703 /nfs/dbraw/zinc/96/67/03/607966703.db2.gz QKZQXHOFKBRBDI-UHFFFAOYSA-N 1 2 386.366 2.092 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000826175461 608079245 /nfs/dbraw/zinc/07/92/45/608079245.db2.gz GGUKWVNEPPLTKD-SFHVURJKSA-N 1 2 394.479 2.243 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000826175461 608079246 /nfs/dbraw/zinc/07/92/46/608079246.db2.gz GGUKWVNEPPLTKD-SFHVURJKSA-N 1 2 394.479 2.243 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028513 608121262 /nfs/dbraw/zinc/12/12/62/608121262.db2.gz BLQCXSKDLOBNOP-PKOBYXMFSA-N 1 2 398.417 2.249 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028513 608121263 /nfs/dbraw/zinc/12/12/63/608121263.db2.gz BLQCXSKDLOBNOP-PKOBYXMFSA-N 1 2 398.417 2.249 20 0 GEADLO Nc1nc(N2CCCN(c3ccccc3-c3nn[nH]n3)CC2)[nH+]c2ccccc12 ZINC000826396162 608122422 /nfs/dbraw/zinc/12/24/22/608122422.db2.gz KJGNVSDUHSHYOC-UHFFFAOYSA-N 1 2 387.451 2.109 20 0 GEADLO O=C(OCCn1cc[nH+]c1)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826463940 608255746 /nfs/dbraw/zinc/25/57/46/608255746.db2.gz BCFUABLYOSPKIR-UHFFFAOYSA-N 1 2 390.403 2.499 20 0 GEADLO COc1ccc(F)cc1C[NH+]1CCN(c2nc(C)ccc2-c2nn[nH]n2)CC1 ZINC000826209075 608270489 /nfs/dbraw/zinc/27/04/89/608270489.db2.gz LOTILYMJCUJMFZ-UHFFFAOYSA-N 1 2 383.431 2.040 20 0 GEADLO c1ccc(NC[C@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)C2)[nH+]c1 ZINC000826522092 608281201 /nfs/dbraw/zinc/28/12/01/608281201.db2.gz LTZHQPQIHFODMU-CQSZACIVSA-N 1 2 376.468 2.474 20 0 GEADLO C[N@H+](CC(F)F)C1CCN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)CC1 ZINC000825902133 608293290 /nfs/dbraw/zinc/29/32/90/608293290.db2.gz OCLWHNBXEKQYDH-UHFFFAOYSA-N 1 2 377.443 2.306 20 0 GEADLO C[N@@H+](CC(F)F)C1CCN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)CC1 ZINC000825902133 608293292 /nfs/dbraw/zinc/29/32/92/608293292.db2.gz OCLWHNBXEKQYDH-UHFFFAOYSA-N 1 2 377.443 2.306 20 0 GEADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000826389259 608321432 /nfs/dbraw/zinc/32/14/32/608321432.db2.gz TVAVITUCVTWZQS-INIZCTEOSA-N 1 2 391.460 2.102 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000826169721 608368741 /nfs/dbraw/zinc/36/87/41/608368741.db2.gz BVNIADFBSFGVJV-MOPGFXCFSA-N 1 2 395.463 2.200 20 0 GEADLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000826169721 608368743 /nfs/dbraw/zinc/36/87/43/608368743.db2.gz BVNIADFBSFGVJV-MOPGFXCFSA-N 1 2 395.463 2.200 20 0 GEADLO CCn1cnnc1[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000825804741 608408208 /nfs/dbraw/zinc/40/82/08/608408208.db2.gz FTDKHISHAVMDAR-ZDUSSCGKSA-N 1 2 375.440 2.410 20 0 GEADLO Fc1ccc(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)nc1 ZINC000826375392 608414396 /nfs/dbraw/zinc/41/43/96/608414396.db2.gz LWFVZCWUASWRBM-UHFFFAOYSA-N 1 2 376.399 2.276 20 0 GEADLO OCC[C@@H]([NH2+]Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1ccccc1 ZINC000826509278 608432974 /nfs/dbraw/zinc/43/29/74/608432974.db2.gz QOZREZRIBYKWEY-MRXNPFEDSA-N 1 2 377.408 2.130 20 0 GEADLO O=C1[C@@H]([N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CCN1CC(F)(F)F ZINC000826476737 608466612 /nfs/dbraw/zinc/46/66/12/608466612.db2.gz NYCCEJSLTAEKRB-HNNXBMFYSA-N 1 2 392.385 2.119 20 0 GEADLO O=C1[C@@H]([N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CCN1CC(F)(F)F ZINC000826476737 608466614 /nfs/dbraw/zinc/46/66/14/608466614.db2.gz NYCCEJSLTAEKRB-HNNXBMFYSA-N 1 2 392.385 2.119 20 0 GEADLO O=C(c1ccccc1F)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826474527 608517668 /nfs/dbraw/zinc/51/76/68/608517668.db2.gz UERYVTBOYMUQMA-UHFFFAOYSA-N 1 2 386.456 2.415 20 0 GEADLO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826474527 608517670 /nfs/dbraw/zinc/51/76/70/608517670.db2.gz UERYVTBOYMUQMA-UHFFFAOYSA-N 1 2 386.456 2.415 20 0 GEADLO COCC[N@H+](Cc1cn2cccc(F)c2n1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826159006 608566733 /nfs/dbraw/zinc/56/67/33/608566733.db2.gz MFGMQKAHZUIGJC-UHFFFAOYSA-N 1 2 381.415 2.302 20 0 GEADLO COCC[N@@H+](Cc1cn2cccc(F)c2n1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826159006 608566735 /nfs/dbraw/zinc/56/67/35/608566735.db2.gz MFGMQKAHZUIGJC-UHFFFAOYSA-N 1 2 381.415 2.302 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@H](c2ccccc2)O1 ZINC000824992690 608633730 /nfs/dbraw/zinc/63/37/30/608633730.db2.gz NNJOJOIQPMVIIK-RDTXWAMCSA-N 1 2 375.436 2.476 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C[C@H](c2ccccc2)O1 ZINC000824992690 608633732 /nfs/dbraw/zinc/63/37/32/608633732.db2.gz NNJOJOIQPMVIIK-RDTXWAMCSA-N 1 2 375.436 2.476 20 0 GEADLO CC1(C)C(=O)NCC[N@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824783764 608677126 /nfs/dbraw/zinc/67/71/26/608677126.db2.gz KBMQEZRDPAMSHL-UHFFFAOYSA-N 1 2 392.463 2.156 20 0 GEADLO CC1(C)C(=O)NCC[N@@H+]1Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824783764 608677130 /nfs/dbraw/zinc/67/71/30/608677130.db2.gz KBMQEZRDPAMSHL-UHFFFAOYSA-N 1 2 392.463 2.156 20 0 GEADLO C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000824984697 608686180 /nfs/dbraw/zinc/68/61/80/608686180.db2.gz MKXWJMRSYMXVHN-YOEHRIQHSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000824984697 608686182 /nfs/dbraw/zinc/68/61/82/608686182.db2.gz MKXWJMRSYMXVHN-YOEHRIQHSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CCN1C[C@H](O)c1ccccc1 ZINC000824984697 608686185 /nfs/dbraw/zinc/68/61/85/608686185.db2.gz MKXWJMRSYMXVHN-YOEHRIQHSA-N 1 2 384.509 2.168 20 0 GEADLO C[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)CCN1C[C@H](O)c1ccccc1 ZINC000824984697 608686188 /nfs/dbraw/zinc/68/61/88/608686188.db2.gz MKXWJMRSYMXVHN-YOEHRIQHSA-N 1 2 384.509 2.168 20 0 GEADLO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000826455127 608721235 /nfs/dbraw/zinc/72/12/35/608721235.db2.gz ABEDQIHTIUTOAN-INIZCTEOSA-N 1 2 394.435 2.388 20 0 GEADLO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nn[nH]n2)o1 ZINC000826455127 608721236 /nfs/dbraw/zinc/72/12/36/608721236.db2.gz ABEDQIHTIUTOAN-INIZCTEOSA-N 1 2 394.435 2.388 20 0 GEADLO CC(=O)Nc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824005514 608853229 /nfs/dbraw/zinc/85/32/29/608853229.db2.gz VWLOYFZYRSNNJZ-IBGZPJMESA-N 1 2 378.436 2.399 20 0 GEADLO CC(=O)Nc1ccccc1C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824005514 608853232 /nfs/dbraw/zinc/85/32/32/608853232.db2.gz VWLOYFZYRSNNJZ-IBGZPJMESA-N 1 2 378.436 2.399 20 0 GEADLO CC(C)C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000824236870 609254171 /nfs/dbraw/zinc/25/41/71/609254171.db2.gz PONHNNSDXATRLA-BXUZGUMPSA-N 1 2 394.443 2.473 20 0 GEADLO O=C(CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1)c1ccccc1 ZINC000826407466 609270012 /nfs/dbraw/zinc/27/00/12/609270012.db2.gz NXNXNQDNOAHWRP-UHFFFAOYSA-N 1 2 380.427 2.401 20 0 GEADLO O=C(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000826473193 609288052 /nfs/dbraw/zinc/28/80/52/609288052.db2.gz OEEQBNALGYMTOL-UHFFFAOYSA-N 1 2 382.855 2.478 20 0 GEADLO NC(Cc1cccnc1)=[NH+]OCc1ccc(-c2nn[nH]n2)cc1Br ZINC000826393779 609328403 /nfs/dbraw/zinc/32/84/03/609328403.db2.gz JMRICILFVPWPQG-UHFFFAOYSA-N 1 2 388.229 2.265 20 0 GEADLO COc1ccc(C[NH+]2CCN(c3nccc(C)c3-c3nn[nH]n3)CC2)cc1F ZINC000826194996 609521742 /nfs/dbraw/zinc/52/17/42/609521742.db2.gz DKGUJZIEFDMHHW-UHFFFAOYSA-N 1 2 383.431 2.040 20 0 GEADLO Cc1cc[nH+]c(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c1-c1nn[nH]n1 ZINC000826313266 609540383 /nfs/dbraw/zinc/54/03/83/609540383.db2.gz AGNUYMASAGOBQY-UHFFFAOYSA-N 1 2 394.435 2.459 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000448130600 650013849 /nfs/dbraw/zinc/01/38/49/650013849.db2.gz RZVCXOGOQZCZPL-LLVKDONJSA-N 1 2 390.245 2.437 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000448970618 650027347 /nfs/dbraw/zinc/02/73/47/650027347.db2.gz MAYFRJLXHZFROX-UHFFFAOYSA-N 1 2 384.249 2.474 20 0 GEADLO CCCC[N@H+](C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000449001736 650029391 /nfs/dbraw/zinc/02/93/91/650029391.db2.gz FSLKUCZFWJRBHM-WBVHZDCISA-N 1 2 387.567 2.483 20 0 GEADLO CCCC[N@@H+](C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000449001736 650029393 /nfs/dbraw/zinc/02/93/93/650029393.db2.gz FSLKUCZFWJRBHM-WBVHZDCISA-N 1 2 387.567 2.483 20 0 GEADLO C[C@H](C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449335530 650038693 /nfs/dbraw/zinc/03/86/93/650038693.db2.gz JHBSWLWRYNOORS-NVXWUHKLSA-N 1 2 387.567 2.483 20 0 GEADLO C[C@H](C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000449335530 650038698 /nfs/dbraw/zinc/03/86/98/650038698.db2.gz JHBSWLWRYNOORS-NVXWUHKLSA-N 1 2 387.567 2.483 20 0 GEADLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000449409133 650040212 /nfs/dbraw/zinc/04/02/12/650040212.db2.gz NJYARKMSLXDRQT-VWLOTQADSA-N 1 2 381.523 2.414 20 0 GEADLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000449744127 650048519 /nfs/dbraw/zinc/04/85/19/650048519.db2.gz DZMFGZMVUFNWHZ-GFCCVEGCSA-N 1 2 384.274 2.413 20 0 GEADLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000449744127 650048520 /nfs/dbraw/zinc/04/85/20/650048520.db2.gz DZMFGZMVUFNWHZ-GFCCVEGCSA-N 1 2 384.274 2.413 20 0 GEADLO C[C@@](O)(CNC(=O)c1c(Cl)cc(Cl)cc1Cl)C[NH+]1CCOCC1 ZINC000450050773 650059057 /nfs/dbraw/zinc/05/90/57/650059057.db2.gz GQEDZGWRGAGDHK-OAHLLOKOSA-N 1 2 381.687 2.460 20 0 GEADLO C[C@](O)(CNC(=O)c1c(Cl)cc(Cl)cc1Cl)C[NH+]1CCOCC1 ZINC000450050770 650059098 /nfs/dbraw/zinc/05/90/98/650059098.db2.gz GQEDZGWRGAGDHK-HNNXBMFYSA-N 1 2 381.687 2.460 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000450265575 650063273 /nfs/dbraw/zinc/06/32/73/650063273.db2.gz YEMFMBZPBTYKHS-ZNMIVQPWSA-N 1 2 392.253 2.176 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000450265575 650063275 /nfs/dbraw/zinc/06/32/75/650063275.db2.gz YEMFMBZPBTYKHS-ZNMIVQPWSA-N 1 2 392.253 2.176 20 0 GEADLO Cc1cc2c(Br)ccnc2cc1N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000450372807 650064380 /nfs/dbraw/zinc/06/43/80/650064380.db2.gz AWETVWZQOAHGKK-AWEZNQCLSA-N 1 2 394.313 2.435 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccsc2Br)C[C@H]1C ZINC000450592265 650067688 /nfs/dbraw/zinc/06/76/88/650067688.db2.gz OTXWEXNHGUFMFJ-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccsc2Br)C[C@H]1C ZINC000450592265 650067691 /nfs/dbraw/zinc/06/76/91/650067691.db2.gz OTXWEXNHGUFMFJ-SNVBAGLBSA-N 1 2 375.288 2.220 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc3c(Br)cccc3cn2)CC[N@@H+]1CCO ZINC000450813550 650070925 /nfs/dbraw/zinc/07/09/25/650070925.db2.gz OYUDMNUZSGVWHB-GFCCVEGCSA-N 1 2 378.270 2.136 20 0 GEADLO C[C@@H]1CN(C(=O)c2cc3c(Br)cccc3cn2)CC[N@H+]1CCO ZINC000450813550 650070926 /nfs/dbraw/zinc/07/09/26/650070926.db2.gz OYUDMNUZSGVWHB-GFCCVEGCSA-N 1 2 378.270 2.136 20 0 GEADLO Cc1nc(N(C)C)nc(NC[C@@H](CO)Cc2cccc(Br)c2C)[nH+]1 ZINC000450889904 650074124 /nfs/dbraw/zinc/07/41/24/650074124.db2.gz SOOWLFSNRUMFEY-ZDUSSCGKSA-N 1 2 394.317 2.580 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)Cc2c(F)cccc2Cl)CC[N@@H+]1CCOC ZINC000451206255 650096347 /nfs/dbraw/zinc/09/63/47/650096347.db2.gz DHHFJPLMQGNZAO-ZDUSSCGKSA-N 1 2 378.897 2.352 20 0 GEADLO CC[C@H]1CN(S(=O)(=O)Cc2c(F)cccc2Cl)CC[N@H+]1CCOC ZINC000451206255 650096350 /nfs/dbraw/zinc/09/63/50/650096350.db2.gz DHHFJPLMQGNZAO-ZDUSSCGKSA-N 1 2 378.897 2.352 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000451331267 650104217 /nfs/dbraw/zinc/10/42/17/650104217.db2.gz CRWBGXPMZSDFNU-MRXNPFEDSA-N 1 2 382.258 2.337 20 0 GEADLO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000451331267 650104220 /nfs/dbraw/zinc/10/42/20/650104220.db2.gz CRWBGXPMZSDFNU-MRXNPFEDSA-N 1 2 382.258 2.337 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451441277 650114453 /nfs/dbraw/zinc/11/44/53/650114453.db2.gz YILADPXYIMMUQY-CYBMUJFWSA-N 1 2 383.258 2.171 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451441277 650114455 /nfs/dbraw/zinc/11/44/55/650114455.db2.gz YILADPXYIMMUQY-CYBMUJFWSA-N 1 2 383.258 2.171 20 0 GEADLO O=S(=O)(NC[C@@H]1CCCC[N@H+]1CCO)c1c(Cl)cc(F)cc1Cl ZINC000451673803 650132075 /nfs/dbraw/zinc/13/20/75/650132075.db2.gz WZHQQOFFYFKNGC-NSHDSACASA-N 1 2 385.288 2.258 20 0 GEADLO O=S(=O)(NC[C@@H]1CCCC[N@@H+]1CCO)c1c(Cl)cc(F)cc1Cl ZINC000451673803 650132076 /nfs/dbraw/zinc/13/20/76/650132076.db2.gz WZHQQOFFYFKNGC-NSHDSACASA-N 1 2 385.288 2.258 20 0 GEADLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000451883647 650149841 /nfs/dbraw/zinc/14/98/41/650149841.db2.gz VHPMGIITJLVFTK-NWDGAFQWSA-N 1 2 375.357 2.356 20 0 GEADLO C[C@H]1CN(CC(F)(F)F)CC[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000451883647 650149842 /nfs/dbraw/zinc/14/98/42/650149842.db2.gz VHPMGIITJLVFTK-NWDGAFQWSA-N 1 2 375.357 2.356 20 0 GEADLO O[C@@H](COc1ccc(I)c(Cl)c1)C[NH+]1CCOCC1 ZINC000453025195 650204237 /nfs/dbraw/zinc/20/42/37/650204237.db2.gz DCXKFDJXLAMXGI-SNVBAGLBSA-N 1 2 397.640 2.017 20 0 GEADLO Cc1nc(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)sc1Br ZINC000454520038 650268611 /nfs/dbraw/zinc/26/86/11/650268611.db2.gz CEZXLPLTGAGLLX-UHFFFAOYSA-N 1 2 391.335 2.124 20 0 GEADLO Cc1nc(CNC(=O)NCC[N@H+]2CCOCC2(C)C)sc1Br ZINC000454520038 650268615 /nfs/dbraw/zinc/26/86/15/650268615.db2.gz CEZXLPLTGAGLLX-UHFFFAOYSA-N 1 2 391.335 2.124 20 0 GEADLO COc1cc(Br)cc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000455055969 650288415 /nfs/dbraw/zinc/28/84/15/650288415.db2.gz RLLRZZINHGIDHP-OAHLLOKOSA-N 1 2 384.274 2.442 20 0 GEADLO COc1cc(Br)cc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000455055969 650288418 /nfs/dbraw/zinc/28/84/18/650288418.db2.gz RLLRZZINHGIDHP-OAHLLOKOSA-N 1 2 384.274 2.442 20 0 GEADLO O=C(CCOc1cccc(Br)c1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456211024 650334264 /nfs/dbraw/zinc/33/42/64/650334264.db2.gz FGYINITYHLGNLR-IYBDPMFKSA-N 1 2 383.286 2.197 20 0 GEADLO O=C(CCOc1cccc(Br)c1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456211024 650334267 /nfs/dbraw/zinc/33/42/67/650334267.db2.gz FGYINITYHLGNLR-IYBDPMFKSA-N 1 2 383.286 2.197 20 0 GEADLO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000456707538 650355907 /nfs/dbraw/zinc/35/59/07/650355907.db2.gz CTYVUHHMDZDBCJ-ZDUSSCGKSA-N 1 2 380.286 2.381 20 0 GEADLO Cc1c(Br)cccc1C[C@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000456707538 650355911 /nfs/dbraw/zinc/35/59/11/650355911.db2.gz CTYVUHHMDZDBCJ-ZDUSSCGKSA-N 1 2 380.286 2.381 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000457829523 650385909 /nfs/dbraw/zinc/38/59/09/650385909.db2.gz VTDACKJTGAQLHQ-SNVBAGLBSA-N 1 2 377.246 2.410 20 0 GEADLO CCN(CC)S(=O)(=O)CC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000501426437 650391529 /nfs/dbraw/zinc/39/15/29/650391529.db2.gz UDSFUBQSFAPJOW-UHFFFAOYSA-N 1 2 385.274 2.489 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N(CCO)CC3CC3)[nH+]c12 ZINC000501915904 650399209 /nfs/dbraw/zinc/39/92/09/650399209.db2.gz NFONTYJYVBKFAN-UHFFFAOYSA-N 1 2 395.301 2.362 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCc1cccc(Br)c1 ZINC000459148113 650419570 /nfs/dbraw/zinc/41/95/70/650419570.db2.gz KNWRISSMNKHGAN-PBHICJAKSA-N 1 2 396.329 2.496 20 0 GEADLO O=C(NCCc1cccc(Br)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000459159128 650420007 /nfs/dbraw/zinc/42/00/07/650420007.db2.gz ZRABVBXNSOGTPR-KRWDZBQOSA-N 1 2 396.329 2.498 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC000459356757 650423255 /nfs/dbraw/zinc/42/32/55/650423255.db2.gz VJSPOHZGIHRZTQ-SNVBAGLBSA-N 1 2 396.738 2.108 20 0 GEADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC000459356757 650423257 /nfs/dbraw/zinc/42/32/57/650423257.db2.gz VJSPOHZGIHRZTQ-SNVBAGLBSA-N 1 2 396.738 2.108 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1)c1cccc(F)c1 ZINC000459377934 650423599 /nfs/dbraw/zinc/42/35/99/650423599.db2.gz YHLDDQXPJTWMNV-OAHLLOKOSA-N 1 2 386.880 2.119 20 0 GEADLO O=S(=O)(N[C@@H]1CCC[N@@H+](CCn2cc(Cl)cn2)C1)c1cccc(F)c1 ZINC000459377934 650423603 /nfs/dbraw/zinc/42/36/03/650423603.db2.gz YHLDDQXPJTWMNV-OAHLLOKOSA-N 1 2 386.880 2.119 20 0 GEADLO COC(=O)c1cc(NC(=O)NCCc2cn(C)c[nH+]2)ccc1Br ZINC000459475480 650425523 /nfs/dbraw/zinc/42/55/23/650425523.db2.gz FPACIZZNJVZKAX-UHFFFAOYSA-N 1 2 381.230 2.333 20 0 GEADLO CCCOc1c(Br)cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1OCC ZINC000459715977 650430812 /nfs/dbraw/zinc/43/08/12/650430812.db2.gz VLPQQTVZBAILBI-DZGCQCFKSA-N 1 2 388.302 2.422 20 0 GEADLO CCCOc1c(Br)cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)cc1OCC ZINC000459715977 650430813 /nfs/dbraw/zinc/43/08/13/650430813.db2.gz VLPQQTVZBAILBI-DZGCQCFKSA-N 1 2 388.302 2.422 20 0 GEADLO OC[C@H]1C[N@H+](Cc2cc(Br)ccc2OCc2ccccn2)C[C@@H]1O ZINC000459716814 650431321 /nfs/dbraw/zinc/43/13/21/650431321.db2.gz VZGXPDMOKYJMAS-PBHICJAKSA-N 1 2 393.281 2.208 20 0 GEADLO OC[C@H]1C[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)C[C@@H]1O ZINC000459716814 650431323 /nfs/dbraw/zinc/43/13/23/650431323.db2.gz VZGXPDMOKYJMAS-PBHICJAKSA-N 1 2 393.281 2.208 20 0 GEADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1ccn(C)n1 ZINC000459793916 650432564 /nfs/dbraw/zinc/43/25/64/650432564.db2.gz PLNKKKBKJBCKEE-SNVBAGLBSA-N 1 2 384.221 2.314 20 0 GEADLO CSCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000505519309 650438260 /nfs/dbraw/zinc/43/82/60/650438260.db2.gz DTKNHLQQMIGXFZ-HZPDHXFCSA-N 1 2 383.945 2.461 20 0 GEADLO CSCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000505519309 650438262 /nfs/dbraw/zinc/43/82/62/650438262.db2.gz DTKNHLQQMIGXFZ-HZPDHXFCSA-N 1 2 383.945 2.461 20 0 GEADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2nnnn2C)CC1 ZINC000507846265 650467863 /nfs/dbraw/zinc/46/78/63/650467863.db2.gz GUOKIOGPWUEIHR-HNNXBMFYSA-N 1 2 379.306 2.242 20 0 GEADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000508836692 650483672 /nfs/dbraw/zinc/48/36/72/650483672.db2.gz AOMJTZNWVKBCRM-SECBINFHSA-N 1 2 392.264 2.344 20 0 GEADLO COC(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000462484058 650481651 /nfs/dbraw/zinc/48/16/51/650481651.db2.gz POVJBCYOFSXLRW-CYBMUJFWSA-N 1 2 378.226 2.177 20 0 GEADLO Cc1nnc(C[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)n1C ZINC000463371176 650494382 /nfs/dbraw/zinc/49/43/82/650494382.db2.gz ZBGWFUSKIQPBOK-LLVKDONJSA-N 1 2 383.290 2.498 20 0 GEADLO CNC(=O)N[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000466948644 650499889 /nfs/dbraw/zinc/49/98/89/650499889.db2.gz JJSGTNYHEQWFCH-NSHDSACASA-N 1 2 376.682 2.485 20 0 GEADLO CNC(=O)N[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000466948644 650499891 /nfs/dbraw/zinc/49/98/91/650499891.db2.gz JJSGTNYHEQWFCH-NSHDSACASA-N 1 2 376.682 2.485 20 0 GEADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(S(C)(=O)=O)s1)C2 ZINC000470739823 650516611 /nfs/dbraw/zinc/51/66/11/650516611.db2.gz FTHCCQUXFRJXPC-NSHDSACASA-N 1 2 381.523 2.419 20 0 GEADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(S(C)(=O)=O)s1)CC2 ZINC000470739823 650516613 /nfs/dbraw/zinc/51/66/13/650516613.db2.gz FTHCCQUXFRJXPC-NSHDSACASA-N 1 2 381.523 2.419 20 0 GEADLO C[C@@H](CNC(=O)c1c[nH]c2ccc(Br)cc12)[NH+]1CCN(C)CC1 ZINC000511049175 650524143 /nfs/dbraw/zinc/52/41/43/650524143.db2.gz SLFXYGPYZHQKKO-LBPRGKRZSA-N 1 2 379.302 2.296 20 0 GEADLO O=C(Cc1ccc(Cl)cc1Cl)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000473973564 650525940 /nfs/dbraw/zinc/52/59/40/650525940.db2.gz DZBDKHCAZWJDNK-INIZCTEOSA-N 1 2 387.307 2.486 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)[C@H](C)C1 ZINC000511273978 650531633 /nfs/dbraw/zinc/53/16/33/650531633.db2.gz YPCIHCLSNLJIOK-SECBINFHSA-N 1 2 383.258 2.442 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)[C@H](C)C1 ZINC000511273978 650531636 /nfs/dbraw/zinc/53/16/36/650531636.db2.gz YPCIHCLSNLJIOK-SECBINFHSA-N 1 2 383.258 2.442 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000511256048 650530951 /nfs/dbraw/zinc/53/09/51/650530951.db2.gz CLMJWECTWDKTSX-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000511256048 650530953 /nfs/dbraw/zinc/53/09/53/650530953.db2.gz CLMJWECTWDKTSX-LLVKDONJSA-N 1 2 377.304 2.172 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(I)cc2)[C@@H](C)C1 ZINC000511280173 650532056 /nfs/dbraw/zinc/53/20/56/650532056.db2.gz LPWJNORJIVUAIN-NSHDSACASA-N 1 2 394.278 2.006 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(I)cc2)[C@@H](C)C1 ZINC000511280173 650532060 /nfs/dbraw/zinc/53/20/60/650532060.db2.gz LPWJNORJIVUAIN-NSHDSACASA-N 1 2 394.278 2.006 20 0 GEADLO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@@H](C)[S@@]1=O ZINC000512449557 650549103 /nfs/dbraw/zinc/54/91/03/650549103.db2.gz IMRVVWMKLBWQEE-COCRGAERSA-N 1 2 390.343 2.420 20 0 GEADLO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@@H](C)[S@@]1=O ZINC000512449557 650549104 /nfs/dbraw/zinc/54/91/04/650549104.db2.gz IMRVVWMKLBWQEE-COCRGAERSA-N 1 2 390.343 2.420 20 0 GEADLO CC[C@@H]1CN(CC[C@H](C)[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@]1=O ZINC000512470501 650549515 /nfs/dbraw/zinc/54/95/15/650549515.db2.gz YUNBMSMOVCFIPB-LNICPCHTSA-N 1 2 376.632 2.228 20 0 GEADLO CC[C@@H]1CN(CC[C@H](C)[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@]1=O ZINC000512470501 650549518 /nfs/dbraw/zinc/54/95/18/650549518.db2.gz YUNBMSMOVCFIPB-LNICPCHTSA-N 1 2 376.632 2.228 20 0 GEADLO CC[C@@H]1CN([C@@H](C)CC[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@]1=O ZINC000512470501 650549521 /nfs/dbraw/zinc/54/95/21/650549521.db2.gz YUNBMSMOVCFIPB-LNICPCHTSA-N 1 2 376.632 2.228 20 0 GEADLO CC[C@@H]1CN([C@@H](C)CC[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@]1=O ZINC000512470501 650549523 /nfs/dbraw/zinc/54/95/23/650549523.db2.gz YUNBMSMOVCFIPB-LNICPCHTSA-N 1 2 376.632 2.228 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000476541475 650553249 /nfs/dbraw/zinc/55/32/49/650553249.db2.gz UQLADEWLFRBRSP-UONOGXRCSA-N 1 2 390.933 2.468 20 0 GEADLO COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000476541475 650553253 /nfs/dbraw/zinc/55/32/53/650553253.db2.gz UQLADEWLFRBRSP-UONOGXRCSA-N 1 2 390.933 2.468 20 0 GEADLO CCS(=O)(=O)c1cccc(CNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000513063482 650557202 /nfs/dbraw/zinc/55/72/02/650557202.db2.gz HTUJNAABBQKAMM-UHFFFAOYSA-N 1 2 378.523 2.436 20 0 GEADLO CCS(=O)(=O)c1cccc(CNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000513063482 650557204 /nfs/dbraw/zinc/55/72/04/650557204.db2.gz HTUJNAABBQKAMM-UHFFFAOYSA-N 1 2 378.523 2.436 20 0 GEADLO O=C1[C@@H]([NH+]2CCN(Cc3cc(Br)ccc3F)CC2)CCN1C1CC1 ZINC000478373955 650584652 /nfs/dbraw/zinc/58/46/52/650584652.db2.gz SHJRYHWIVRJIIC-KRWDZBQOSA-N 1 2 396.304 2.469 20 0 GEADLO CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000479002959 650593405 /nfs/dbraw/zinc/59/34/05/650593405.db2.gz WHPCZIKLUWFIBQ-UHFFFAOYSA-N 1 2 380.286 2.257 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)ccc1Br ZINC000516490245 650597385 /nfs/dbraw/zinc/59/73/85/650597385.db2.gz PBZJLTOHCWVOIN-NSHDSACASA-N 1 2 379.258 2.414 20 0 GEADLO Cc1cc(NC(=O)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)ccc1Br ZINC000516490245 650597387 /nfs/dbraw/zinc/59/73/87/650597387.db2.gz PBZJLTOHCWVOIN-NSHDSACASA-N 1 2 379.258 2.414 20 0 GEADLO COc1ccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c(Br)c1 ZINC000480464026 650622834 /nfs/dbraw/zinc/62/28/34/650622834.db2.gz GOTIEYNKOXWGAO-UHFFFAOYSA-N 1 2 389.315 2.174 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000523684308 650637026 /nfs/dbraw/zinc/63/70/26/650637026.db2.gz SFHRHBIHCLQZAD-GFCCVEGCSA-N 1 2 394.273 2.280 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000524286018 650640070 /nfs/dbraw/zinc/64/00/70/650640070.db2.gz CJVIPMRZNUUKQX-UHFFFAOYSA-N 1 2 381.270 2.016 20 0 GEADLO CCCCN(C)S(=O)(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000481081389 650640604 /nfs/dbraw/zinc/64/06/04/650640604.db2.gz OQYZPQZSSDNQNE-UHFFFAOYSA-N 1 2 388.965 2.028 20 0 GEADLO O=C(CCc1ccc(Cl)cc1Cl)N1CC[NH+](CCn2cncn2)CC1 ZINC000524824453 650646981 /nfs/dbraw/zinc/64/69/81/650646981.db2.gz NMGOCRASUZFVEI-UHFFFAOYSA-N 1 2 382.295 2.362 20 0 GEADLO C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000481853733 650654960 /nfs/dbraw/zinc/65/49/60/650654960.db2.gz YGJMHDYNSPBSJQ-QWHCGFSZSA-N 1 2 388.559 2.272 20 0 GEADLO C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000481853733 650654961 /nfs/dbraw/zinc/65/49/61/650654961.db2.gz YGJMHDYNSPBSJQ-QWHCGFSZSA-N 1 2 388.559 2.272 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000482839958 650669769 /nfs/dbraw/zinc/66/97/69/650669769.db2.gz WXGZLLHYKHCIJD-MRXNPFEDSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000482839958 650669774 /nfs/dbraw/zinc/66/97/74/650669774.db2.gz WXGZLLHYKHCIJD-MRXNPFEDSA-N 1 2 390.933 2.221 20 0 GEADLO O=C(C[NH+]1CCC(O[C@@H]2CCOC2)CC1)Nc1ccc(Br)cn1 ZINC000483020694 650673748 /nfs/dbraw/zinc/67/37/48/650673748.db2.gz SRVOADXUHAUIES-CQSZACIVSA-N 1 2 384.274 2.053 20 0 GEADLO Cn1ccc(N2CCC[C@H]([NH2+]Cc3ncc(Br)cc3F)C2=O)n1 ZINC000527664928 650681528 /nfs/dbraw/zinc/68/15/28/650681528.db2.gz CNOIBFARXPXUIU-LBPRGKRZSA-N 1 2 382.237 2.002 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000528356007 650690237 /nfs/dbraw/zinc/69/02/37/650690237.db2.gz ACVZCHVXEFGPBI-MNOVXSKESA-N 1 2 382.404 2.307 20 0 GEADLO COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000528356007 650690239 /nfs/dbraw/zinc/69/02/39/650690239.db2.gz ACVZCHVXEFGPBI-MNOVXSKESA-N 1 2 382.404 2.307 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000528417918 650692945 /nfs/dbraw/zinc/69/29/45/650692945.db2.gz VBVVHDCJENGONQ-OAQYLSRUSA-N 1 2 381.286 2.223 20 0 GEADLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000528535771 650695067 /nfs/dbraw/zinc/69/50/67/650695067.db2.gz MMNFPQFDBDCHJN-UHFFFAOYSA-N 1 2 376.881 2.355 20 0 GEADLO CC(C)[C@@H](CNC(=O)c1cc(O)cc(Br)c1)N1CC[NH+](C)CC1 ZINC000528556316 650696712 /nfs/dbraw/zinc/69/67/12/650696712.db2.gz WICGMHJWNAODAP-MRXNPFEDSA-N 1 2 384.318 2.157 20 0 GEADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[C@@]3(C)Br)c2)CC1 ZINC000529122177 650701496 /nfs/dbraw/zinc/70/14/96/650701496.db2.gz WJEFVWULTLFILY-SJLPKXTDSA-N 1 2 394.313 2.463 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(Cl)c(F)cc1Cl ZINC000529749528 650706183 /nfs/dbraw/zinc/70/61/83/650706183.db2.gz AEQCCFNUMGGLEF-QGZVFWFLSA-N 1 2 391.270 2.478 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(Cl)c(F)cc1Cl ZINC000529749528 650706185 /nfs/dbraw/zinc/70/61/85/650706185.db2.gz AEQCCFNUMGGLEF-QGZVFWFLSA-N 1 2 391.270 2.478 20 0 GEADLO Cc1c(Br)cccc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529755083 650706700 /nfs/dbraw/zinc/70/67/00/650706700.db2.gz YLNPRHVMHVYKAK-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1c(Br)cccc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529755083 650706705 /nfs/dbraw/zinc/70/67/05/650706705.db2.gz YLNPRHVMHVYKAK-GOSISDBHSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1Br ZINC000529754547 650706788 /nfs/dbraw/zinc/70/67/88/650706788.db2.gz WFWMTTGMZNNDLW-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO Cc1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1Br ZINC000529754547 650706790 /nfs/dbraw/zinc/70/67/90/650706790.db2.gz WFWMTTGMZNNDLW-SFHVURJKSA-N 1 2 397.313 2.103 20 0 GEADLO CCOCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486575828 650716118 /nfs/dbraw/zinc/71/61/18/650716118.db2.gz LMEYOFMZUBETSD-DLBZAZTESA-N 1 2 376.469 2.445 20 0 GEADLO CCOCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000486575828 650716121 /nfs/dbraw/zinc/71/61/21/650716121.db2.gz LMEYOFMZUBETSD-DLBZAZTESA-N 1 2 376.469 2.445 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000488419880 650745908 /nfs/dbraw/zinc/74/59/08/650745908.db2.gz KTZWNZHDTVEXAU-HZMBPMFUSA-N 1 2 385.237 2.206 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000488419883 650745935 /nfs/dbraw/zinc/74/59/35/650745935.db2.gz KTZWNZHDTVEXAU-YGRLFVJLSA-N 1 2 385.237 2.206 20 0 GEADLO CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000489012949 650753809 /nfs/dbraw/zinc/75/38/09/650753809.db2.gz IEORWLAVHQTPKW-UHFFFAOYSA-N 1 2 388.917 2.479 20 0 GEADLO CSc1nc2ccc(NC(=O)C(=O)N[C@H](C)Cn3cc[nH+]c3)cc2s1 ZINC000041992943 642537845 /nfs/dbraw/zinc/53/78/45/642537845.db2.gz FRTVAJNNSIMLOB-SNVBAGLBSA-N 1 2 375.479 2.358 20 0 GEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cc(Br)cc2cccnc21 ZINC000533941995 650767553 /nfs/dbraw/zinc/76/75/53/650767553.db2.gz QHCQDLNHNRACMS-CYBMUJFWSA-N 1 2 391.313 2.363 20 0 GEADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccc(Br)s1 ZINC000042385667 642552122 /nfs/dbraw/zinc/55/21/22/642552122.db2.gz NNIJXXCEODEEHD-WDEREUQCSA-N 1 2 388.331 2.055 20 0 GEADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000042385667 642552134 /nfs/dbraw/zinc/55/21/34/642552134.db2.gz NNIJXXCEODEEHD-WDEREUQCSA-N 1 2 388.331 2.055 20 0 GEADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)Cc1ccc(Br)s1 ZINC000042385679 642552163 /nfs/dbraw/zinc/55/21/63/642552163.db2.gz VKQUJQZTIQQSOC-JTQLQIEISA-N 1 2 388.331 2.068 20 0 GEADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000042385679 642552169 /nfs/dbraw/zinc/55/21/69/642552169.db2.gz VKQUJQZTIQQSOC-JTQLQIEISA-N 1 2 388.331 2.068 20 0 GEADLO CCCCCNC(=O)[C@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000042641478 642554169 /nfs/dbraw/zinc/55/41/69/642554169.db2.gz HWKIWKAHABWACF-AWEZNQCLSA-N 1 2 387.571 2.186 20 0 GEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1nc(C(F)(F)F)cs1 ZINC000043639436 642563476 /nfs/dbraw/zinc/56/34/76/642563476.db2.gz GOMAOGJRWZWCJD-ZDUSSCGKSA-N 1 2 396.460 2.491 20 0 GEADLO CC(C)(CNC(=O)NCCc1ccc(Br)s1)[NH+]1CCOCC1 ZINC000045113103 642589449 /nfs/dbraw/zinc/58/94/49/642589449.db2.gz KMAGNJOBDWMVGQ-UHFFFAOYSA-N 1 2 390.347 2.463 20 0 GEADLO Cc1cc(N2C[C@@H](C(=O)NCCn3cc[nH+]c3)CC2=O)ccc1Br ZINC000045197158 642590791 /nfs/dbraw/zinc/59/07/91/642590791.db2.gz IFCHESWKSBIUFJ-ZDUSSCGKSA-N 1 2 391.269 2.123 20 0 GEADLO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)nn1 ZINC000534176304 650770147 /nfs/dbraw/zinc/77/01/47/650770147.db2.gz BEFISMCGAUUMJW-UHFFFAOYSA-N 1 2 378.274 2.428 20 0 GEADLO Cc1cccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1I ZINC000047151960 642622349 /nfs/dbraw/zinc/62/23/49/642622349.db2.gz RYELCEFFUXDHOL-LBPRGKRZSA-N 1 2 388.249 2.050 20 0 GEADLO C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000047302673 642628228 /nfs/dbraw/zinc/62/82/28/642628228.db2.gz QHHFQBRWSWQNDP-WFASDCNBSA-N 1 2 384.498 2.469 20 0 GEADLO O=C(NCCOc1cccc(Br)c1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000490547215 650776151 /nfs/dbraw/zinc/77/61/51/650776151.db2.gz QBXFXDDGVFJYBR-KRWDZBQOSA-N 1 2 397.313 2.445 20 0 GEADLO O=C(NCCOc1cccc(Br)c1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000490547215 650776153 /nfs/dbraw/zinc/77/61/53/650776153.db2.gz QBXFXDDGVFJYBR-KRWDZBQOSA-N 1 2 397.313 2.445 20 0 GEADLO O=C1NCCN1C1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000052215292 642712636 /nfs/dbraw/zinc/71/26/36/642712636.db2.gz VLCWQHPRZQIPCX-UHFFFAOYSA-N 1 2 396.245 2.082 20 0 GEADLO O=C(C[NH+]1CCN(Cc2ccc(F)c(Br)c2)CC1)N1CCCC1 ZINC000052585445 642722341 /nfs/dbraw/zinc/72/23/41/642722341.db2.gz DDWHWPHXJNVMJF-UHFFFAOYSA-N 1 2 384.293 2.328 20 0 GEADLO O=C(N[C@H](CO)c1cccc(Br)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000490707582 650778925 /nfs/dbraw/zinc/77/89/25/650778925.db2.gz FXMFJPCHNHSJTK-MRXNPFEDSA-N 1 2 387.237 2.493 20 0 GEADLO Cc1noc(CN2CC[NH+](CCOc3cccc(Br)c3)CC2)n1 ZINC000052701239 642725410 /nfs/dbraw/zinc/72/54/10/642725410.db2.gz UGTUBDJHVADIMD-UHFFFAOYSA-N 1 2 381.274 2.337 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cc3cccnc32)CCO1 ZINC000534697459 650779921 /nfs/dbraw/zinc/77/99/21/650779921.db2.gz VAMLYJDCQIIVKB-GFCCVEGCSA-N 1 2 378.270 2.448 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc3cccnc32)CCO1 ZINC000534697459 650779925 /nfs/dbraw/zinc/77/99/25/650779925.db2.gz VAMLYJDCQIIVKB-GFCCVEGCSA-N 1 2 378.270 2.448 20 0 GEADLO COCCNC(=O)CN1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000053810659 642739911 /nfs/dbraw/zinc/73/99/11/642739911.db2.gz ARWXRQDBBBBEOW-UHFFFAOYSA-N 1 2 381.929 2.435 20 0 GEADLO O=C(C1CCC1)N1CSC[C@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535261610 650786480 /nfs/dbraw/zinc/78/64/80/650786480.db2.gz OIHONYQJDVBENJ-INIZCTEOSA-N 1 2 379.551 2.094 20 0 GEADLO O=C(C[NH+]1CCN(Cc2ccc(F)cc2Br)CC1)N1CCCC1 ZINC000054920062 642764378 /nfs/dbraw/zinc/76/43/78/642764378.db2.gz DLCNOJFGNWEYJE-UHFFFAOYSA-N 1 2 384.293 2.328 20 0 GEADLO CN1CC[C@H](NC(=O)NCC[NH+]2CCSCC2)[C@H]1c1ccc(Cl)cc1 ZINC000535505345 650788069 /nfs/dbraw/zinc/78/80/69/650788069.db2.gz ZTQYLKIHMMKXQP-DLBZAZTESA-N 1 2 382.961 2.433 20 0 GEADLO O=S(=O)(c1ccc(OCC(F)(F)F)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000491690866 650788156 /nfs/dbraw/zinc/78/81/56/650788156.db2.gz QDMOCVHSICYACR-UHFFFAOYSA-N 1 2 378.416 2.344 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)NNC(=O)c1ccccc1Br ZINC000057379548 642812091 /nfs/dbraw/zinc/81/20/91/642812091.db2.gz XZKGCJAVTFZDRZ-UHFFFAOYSA-N 1 2 380.246 2.070 20 0 GEADLO C[C@@H]1CN(C(=O)c2cccc(Br)c2O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535829100 650791098 /nfs/dbraw/zinc/79/10/98/650791098.db2.gz XWEBOQLMHWYCPV-CJNGLKHVSA-N 1 2 396.329 2.253 20 0 GEADLO C[C@H]1CN(C(=O)c2cccc(Br)c2O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535829099 650791109 /nfs/dbraw/zinc/79/11/09/650791109.db2.gz XWEBOQLMHWYCPV-BBRMVZONSA-N 1 2 396.329 2.253 20 0 GEADLO CCn1c(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)n[nH]c1=S ZINC000066636417 642929335 /nfs/dbraw/zinc/92/93/35/642929335.db2.gz GGJHDGWFKSCXNC-HNNXBMFYSA-N 1 2 377.539 2.367 20 0 GEADLO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)N[C@H](C)CCCC(C)C)CC1 ZINC000066879954 642944864 /nfs/dbraw/zinc/94/48/64/642944864.db2.gz JKRGSRFERKIXFW-MRXNPFEDSA-N 1 2 375.579 2.063 20 0 GEADLO COCC[N@H+](CC(=O)NC1CCOCC1)Cc1cc(Br)cs1 ZINC000494152848 650801918 /nfs/dbraw/zinc/80/19/18/650801918.db2.gz NAMQLWKNPYLBJS-UHFFFAOYSA-N 1 2 391.331 2.254 20 0 GEADLO COCC[N@@H+](CC(=O)NC1CCOCC1)Cc1cc(Br)cs1 ZINC000494152848 650801919 /nfs/dbraw/zinc/80/19/19/650801919.db2.gz NAMQLWKNPYLBJS-UHFFFAOYSA-N 1 2 391.331 2.254 20 0 GEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCCCCc2cccs2)CC1 ZINC000068508504 643004486 /nfs/dbraw/zinc/00/44/86/643004486.db2.gz KANKAHRBGURDRN-UHFFFAOYSA-N 1 2 386.583 2.476 20 0 GEADLO COCc1cnc(C[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)s1 ZINC000536759412 650807420 /nfs/dbraw/zinc/80/74/20/650807420.db2.gz BQJJDWMRGNVDSU-UHFFFAOYSA-N 1 2 383.539 2.407 20 0 GEADLO CCCCCC(C)(C)CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000087101647 643065321 /nfs/dbraw/zinc/06/53/21/643065321.db2.gz FKDLOGPKLHYWMM-UHFFFAOYSA-N 1 2 375.579 2.401 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](CC2=CCCOC2)CC1 ZINC000092783811 643073097 /nfs/dbraw/zinc/07/30/97/643073097.db2.gz MDUOGXMDQJEXPN-UHFFFAOYSA-N 1 2 376.931 2.445 20 0 GEADLO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](CC2=CCCOC2)CC1 ZINC000092783811 643073104 /nfs/dbraw/zinc/07/31/04/643073104.db2.gz MDUOGXMDQJEXPN-UHFFFAOYSA-N 1 2 376.931 2.445 20 0 GEADLO CC[N@H+](CCOc1ccc(Br)cc1)Cc1nc(CC(=O)NC)no1 ZINC000494560215 650811153 /nfs/dbraw/zinc/81/11/53/650811153.db2.gz XZMGQBRVFTYDDF-UHFFFAOYSA-N 1 2 397.273 2.022 20 0 GEADLO CC[N@@H+](CCOc1ccc(Br)cc1)Cc1nc(CC(=O)NC)no1 ZINC000494560215 650811155 /nfs/dbraw/zinc/81/11/55/650811155.db2.gz XZMGQBRVFTYDDF-UHFFFAOYSA-N 1 2 397.273 2.022 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000097258902 643095545 /nfs/dbraw/zinc/09/55/45/643095545.db2.gz LZCLNXJHUZOUOF-INIZCTEOSA-N 1 2 394.313 2.151 20 0 GEADLO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000097258902 643095551 /nfs/dbraw/zinc/09/55/51/643095551.db2.gz LZCLNXJHUZOUOF-INIZCTEOSA-N 1 2 394.313 2.151 20 0 GEADLO CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000102814479 643141538 /nfs/dbraw/zinc/14/15/38/643141538.db2.gz DQOPRXIQNVITOH-UHFFFAOYSA-N 1 2 396.285 2.093 20 0 GEADLO CCc1cnc(N2CC[NH+](Cc3cnc(N4CCOCC4)s3)CC2)s1 ZINC000537627569 650818944 /nfs/dbraw/zinc/81/89/44/650818944.db2.gz SGPUGOIHWANSQI-UHFFFAOYSA-N 1 2 379.555 2.321 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1cc(F)c(F)cc1F ZINC000105048158 643199056 /nfs/dbraw/zinc/19/90/56/643199056.db2.gz JQBRHWANHUZXPS-MRXNPFEDSA-N 1 2 375.416 2.433 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000105296840 643202755 /nfs/dbraw/zinc/20/27/55/643202755.db2.gz FMYNWAPNVAZOBV-GOEBONIOSA-N 1 2 382.302 2.279 20 0 GEADLO NC(=O)[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC000105402094 643206004 /nfs/dbraw/zinc/20/60/04/643206004.db2.gz VCGRBWAWUWLODR-OAHLLOKOSA-N 1 2 380.217 2.343 20 0 GEADLO NC(=O)[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC000105402090 643206117 /nfs/dbraw/zinc/20/61/17/643206117.db2.gz VCGRBWAWUWLODR-HNNXBMFYSA-N 1 2 380.217 2.343 20 0 GEADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3ccc(Br)cc3)C2)CC1 ZINC000106578523 643234388 /nfs/dbraw/zinc/23/43/88/643234388.db2.gz AFEUDOQHCBPVLT-KRWDZBQOSA-N 1 2 395.345 2.371 20 0 GEADLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(F)c(Br)c3)C2)CC1 ZINC000106799403 643238590 /nfs/dbraw/zinc/23/85/90/643238590.db2.gz YMDHJCPNYSMLKS-HNNXBMFYSA-N 1 2 398.320 2.369 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1c[nH]c2cccc(Br)c21 ZINC000497003834 650831831 /nfs/dbraw/zinc/83/18/31/650831831.db2.gz JRCNLDDPQUYIKY-ZDUSSCGKSA-N 1 2 391.225 2.168 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1c[nH]c2cccc(Br)c21 ZINC000497003834 650831833 /nfs/dbraw/zinc/83/18/33/650831833.db2.gz JRCNLDDPQUYIKY-ZDUSSCGKSA-N 1 2 391.225 2.168 20 0 GEADLO CS(=O)(=O)c1ccc(OCCC[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000110115926 643306255 /nfs/dbraw/zinc/30/62/55/643306255.db2.gz DWGTUEWQQXUJED-CABCVRRESA-N 1 2 381.416 2.247 20 0 GEADLO CS(=O)(=O)c1ccc(OCCC[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000110115926 643306257 /nfs/dbraw/zinc/30/62/57/643306257.db2.gz DWGTUEWQQXUJED-CABCVRRESA-N 1 2 381.416 2.247 20 0 GEADLO CCc1nc([C@H](C)NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cs1 ZINC000111475436 643340600 /nfs/dbraw/zinc/34/06/00/643340600.db2.gz LTXFVITYEDWCGB-GUYCJALGSA-N 1 2 384.571 2.274 20 0 GEADLO CCc1nc([C@@H](C)NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cs1 ZINC000111475428 643340650 /nfs/dbraw/zinc/34/06/50/643340650.db2.gz LTXFVITYEDWCGB-CXAGYDPISA-N 1 2 384.571 2.274 20 0 GEADLO O=C(C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000114347050 643414455 /nfs/dbraw/zinc/41/44/55/643414455.db2.gz NOBJBIJASZIELM-CQSZACIVSA-N 1 2 395.297 2.203 20 0 GEADLO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000114380395 643416530 /nfs/dbraw/zinc/41/65/30/643416530.db2.gz SZOALTBTYYBRTD-CQSZACIVSA-N 1 2 396.329 2.022 20 0 GEADLO CCS(=O)(=O)C[C@H](C)N(C)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000115699345 643445482 /nfs/dbraw/zinc/44/54/82/643445482.db2.gz UDRRHRMWWVARFH-AWEZNQCLSA-N 1 2 387.571 2.177 20 0 GEADLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)NC(=O)NCC(F)(F)F)cc1 ZINC000116326044 643457024 /nfs/dbraw/zinc/45/70/24/643457024.db2.gz TUOSGZJQBSVORX-ZDUSSCGKSA-N 1 2 375.416 2.473 20 0 GEADLO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)NC(=O)NCC(F)(F)F)cc1 ZINC000116326044 643457030 /nfs/dbraw/zinc/45/70/30/643457030.db2.gz TUOSGZJQBSVORX-ZDUSSCGKSA-N 1 2 375.416 2.473 20 0 GEADLO O=C(NCCn1cc[nH+]c1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000117577205 643492974 /nfs/dbraw/zinc/49/29/74/643492974.db2.gz JGGHIPVAQUBQGR-UHFFFAOYSA-N 1 2 378.205 2.400 20 0 GEADLO C[C@H]1SCCN(CCS(=O)(=O)CC[N@@H+]2CCS[C@@H](C)[C@H]2C)[C@H]1C ZINC000118414803 643512583 /nfs/dbraw/zinc/51/25/83/643512583.db2.gz QFAYQRHNQDXBIU-SYMSYNOKSA-N 1 2 380.645 2.053 20 0 GEADLO C[C@H]1SCCN(CCS(=O)(=O)CC[N@H+]2CCS[C@@H](C)[C@H]2C)[C@H]1C ZINC000118414803 643512589 /nfs/dbraw/zinc/51/25/89/643512589.db2.gz QFAYQRHNQDXBIU-SYMSYNOKSA-N 1 2 380.645 2.053 20 0 GEADLO C[C@H]1SCC[N@@H+](CCS(=O)(=O)CCN2CCS[C@@H](C)[C@H]2C)[C@H]1C ZINC000118414803 643512591 /nfs/dbraw/zinc/51/25/91/643512591.db2.gz QFAYQRHNQDXBIU-SYMSYNOKSA-N 1 2 380.645 2.053 20 0 GEADLO C[C@H]1SCC[N@H+](CCS(=O)(=O)CCN2CCS[C@@H](C)[C@H]2C)[C@H]1C ZINC000118414803 643512593 /nfs/dbraw/zinc/51/25/93/643512593.db2.gz QFAYQRHNQDXBIU-SYMSYNOKSA-N 1 2 380.645 2.053 20 0 GEADLO O=S(=O)(CC[N@@H+](CCCCO)C1CC1)c1ccc(Br)cc1 ZINC000118844198 643524004 /nfs/dbraw/zinc/52/40/04/643524004.db2.gz LIHSJBNAYWTHNI-UHFFFAOYSA-N 1 2 376.316 2.460 20 0 GEADLO O=S(=O)(CC[N@H+](CCCCO)C1CC1)c1ccc(Br)cc1 ZINC000118844198 643524010 /nfs/dbraw/zinc/52/40/10/643524010.db2.gz LIHSJBNAYWTHNI-UHFFFAOYSA-N 1 2 376.316 2.460 20 0 GEADLO CS(=O)(=O)c1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)o1 ZINC000498107134 650848416 /nfs/dbraw/zinc/84/84/16/650848416.db2.gz SLSDIWHKGHKWBY-UHFFFAOYSA-N 1 2 386.539 2.165 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2F)C[C@H]1C ZINC000539773830 650849720 /nfs/dbraw/zinc/84/97/20/650849720.db2.gz OYIQWBSISZQXSE-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Br)cc2F)C[C@H]1C ZINC000539773830 650849724 /nfs/dbraw/zinc/84/97/24/650849724.db2.gz OYIQWBSISZQXSE-LLVKDONJSA-N 1 2 387.249 2.298 20 0 GEADLO CN1CC[NH+](CC2CCN(C(=O)c3cccc(Br)c3O)CC2)CC1 ZINC000539843146 650851014 /nfs/dbraw/zinc/85/10/14/650851014.db2.gz XESFQDNOXGRREV-UHFFFAOYSA-N 1 2 396.329 2.254 20 0 GEADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cn2nc(C3CC3)sc2=S)CC1 ZINC000120310721 643599482 /nfs/dbraw/zinc/59/94/82/643599482.db2.gz LJIPJALCCHTTHY-CYBMUJFWSA-N 1 2 381.571 2.137 20 0 GEADLO O=C(c1cc(C(F)(F)F)ccc1Br)N1CC[NH+](CCO)CC1 ZINC000121793528 643640555 /nfs/dbraw/zinc/64/05/55/643640555.db2.gz CDIVLTXXIGEULI-UHFFFAOYSA-N 1 2 381.192 2.218 20 0 GEADLO C[C@@H]1[C@H](C)N(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC[N@H+]1C ZINC000540018739 650856772 /nfs/dbraw/zinc/85/67/72/650856772.db2.gz ZTTKQYMBRXXGEO-MNOVXSKESA-N 1 2 378.270 2.455 20 0 GEADLO C[C@@H]1[C@H](C)N(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC[N@@H+]1C ZINC000540018739 650856774 /nfs/dbraw/zinc/85/67/74/650856774.db2.gz ZTTKQYMBRXXGEO-MNOVXSKESA-N 1 2 378.270 2.455 20 0 GEADLO Cc1cc(S(=O)(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cnc1Cl ZINC000125448193 643707914 /nfs/dbraw/zinc/70/79/14/643707914.db2.gz DMZDLRSGFPIMQO-AWEZNQCLSA-N 1 2 387.933 2.355 20 0 GEADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccnc(Br)c1 ZINC000125604332 643708843 /nfs/dbraw/zinc/70/88/43/643708843.db2.gz DYFDIANIHLNCCF-INIZCTEOSA-N 1 2 390.281 2.475 20 0 GEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccnc(Br)c1 ZINC000125604332 643708849 /nfs/dbraw/zinc/70/88/49/643708849.db2.gz DYFDIANIHLNCCF-INIZCTEOSA-N 1 2 390.281 2.475 20 0 GEADLO CN1C[C@H](C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CC1=O ZINC000498780656 650865535 /nfs/dbraw/zinc/86/55/35/650865535.db2.gz PKTFQRZKPJGCAI-CQSZACIVSA-N 1 2 384.307 2.158 20 0 GEADLO O=C(C[NH+]1CCC(O)(C(F)(F)F)CC1)NCCOc1ccc(Cl)cc1 ZINC000128044124 643791298 /nfs/dbraw/zinc/79/12/98/643791298.db2.gz SKMQJZPJCHMJFE-UHFFFAOYSA-N 1 2 380.794 2.224 20 0 GEADLO O=C(c1ccncc1I)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000130952270 643857141 /nfs/dbraw/zinc/85/71/41/643857141.db2.gz WEUYDFLKSYYSRC-LLVKDONJSA-N 1 2 382.205 2.188 20 0 GEADLO O=C(C[C@@H]1CSCCS1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000131071708 643862416 /nfs/dbraw/zinc/86/24/16/643862416.db2.gz IEOREEYYADYCHM-ZWKOTPCHSA-N 1 2 380.579 2.285 20 0 GEADLO C[C@H](Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000133041963 643891708 /nfs/dbraw/zinc/89/17/08/643891708.db2.gz QVAHVLDOCUQLLK-CQSZACIVSA-N 1 2 386.945 2.144 20 0 GEADLO CCOC(=O)C[C@H](C)[N@H+](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000541334221 650874611 /nfs/dbraw/zinc/87/46/11/650874611.db2.gz RDTPIMSDGUJSTB-LBPRGKRZSA-N 1 2 392.315 2.496 20 0 GEADLO CCOC(=O)C[C@H](C)[N@@H+](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000541334221 650874613 /nfs/dbraw/zinc/87/46/13/650874613.db2.gz RDTPIMSDGUJSTB-LBPRGKRZSA-N 1 2 392.315 2.496 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000499258228 650877322 /nfs/dbraw/zinc/87/73/22/650877322.db2.gz YKXGUMNFYVLAGX-CZUORRHYSA-N 1 2 394.313 2.103 20 0 GEADLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000499258228 650877326 /nfs/dbraw/zinc/87/73/26/650877326.db2.gz YKXGUMNFYVLAGX-CZUORRHYSA-N 1 2 394.313 2.103 20 0 GEADLO Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151910720 643960693 /nfs/dbraw/zinc/96/06/93/643960693.db2.gz NBPKEWOKVAMADA-GFCCVEGCSA-N 1 2 391.269 2.271 20 0 GEADLO C[C@H](OC[C@H](O)C[N@H+](CCS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000156863684 644121990 /nfs/dbraw/zinc/12/19/90/644121990.db2.gz RYBGTOFVHFRIEL-SUMWQHHRSA-N 1 2 375.918 2.288 20 0 GEADLO C[C@H](OC[C@H](O)C[N@@H+](CCS(C)(=O)=O)C1CC1)c1ccc(Cl)cc1 ZINC000156863684 644121994 /nfs/dbraw/zinc/12/19/94/644121994.db2.gz RYBGTOFVHFRIEL-SUMWQHHRSA-N 1 2 375.918 2.288 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000499928270 650894953 /nfs/dbraw/zinc/89/49/53/650894953.db2.gz YXQXYHYMRJRNDV-JTQLQIEISA-N 1 2 375.803 2.085 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000499928270 650894955 /nfs/dbraw/zinc/89/49/55/650894955.db2.gz YXQXYHYMRJRNDV-JTQLQIEISA-N 1 2 375.803 2.085 20 0 GEADLO O=C(c1cncc(I)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000161789340 644219001 /nfs/dbraw/zinc/21/90/01/644219001.db2.gz YTJVCQDWNXCTMZ-UHFFFAOYSA-N 1 2 382.205 2.360 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)CC1 ZINC000164291876 644262097 /nfs/dbraw/zinc/26/20/97/644262097.db2.gz STFBWCUMNCNRCP-UHFFFAOYSA-N 1 2 375.416 2.286 20 0 GEADLO CC[N@H+](Cc1cc2c(c(Br)c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000170835328 644290857 /nfs/dbraw/zinc/29/08/57/644290857.db2.gz BSYVFQJOOOIFRH-LLVKDONJSA-N 1 2 376.272 2.187 20 0 GEADLO CC[N@@H+](Cc1cc2c(c(Br)c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000170835328 644290860 /nfs/dbraw/zinc/29/08/60/644290860.db2.gz BSYVFQJOOOIFRH-LLVKDONJSA-N 1 2 376.272 2.187 20 0 GEADLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000172702856 644341839 /nfs/dbraw/zinc/34/18/39/644341839.db2.gz JGHFREBGEMZLBC-AWEZNQCLSA-N 1 2 390.311 2.437 20 0 GEADLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000172702856 644341848 /nfs/dbraw/zinc/34/18/48/644341848.db2.gz JGHFREBGEMZLBC-AWEZNQCLSA-N 1 2 390.311 2.437 20 0 GEADLO COc1ccc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c(Br)c1OC ZINC000172792571 644343579 /nfs/dbraw/zinc/34/35/79/644343579.db2.gz MWPOSYLVYNUUEW-UHFFFAOYSA-N 1 2 394.269 2.118 20 0 GEADLO COc1ccc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)c(Br)c1OC ZINC000172792571 644343585 /nfs/dbraw/zinc/34/35/85/644343585.db2.gz MWPOSYLVYNUUEW-UHFFFAOYSA-N 1 2 394.269 2.118 20 0 GEADLO C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174788513 644381737 /nfs/dbraw/zinc/38/17/37/644381737.db2.gz HKLBCFKGTWDDRC-GJZGRUSLSA-N 1 2 383.901 2.136 20 0 GEADLO C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174788513 644381740 /nfs/dbraw/zinc/38/17/40/644381740.db2.gz HKLBCFKGTWDDRC-GJZGRUSLSA-N 1 2 383.901 2.136 20 0 GEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(I)cc1 ZINC000543674008 650918515 /nfs/dbraw/zinc/91/85/15/650918515.db2.gz GBWGYOKHHJRAIS-WDEREUQCSA-N 1 2 394.278 2.004 20 0 GEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(I)cc1 ZINC000543674008 650918521 /nfs/dbraw/zinc/91/85/21/650918521.db2.gz GBWGYOKHHJRAIS-WDEREUQCSA-N 1 2 394.278 2.004 20 0 GEADLO CC(C)[C@H](CNS(=O)(=O)Cc1ccc(F)c(Cl)c1)[NH+]1CCOCC1 ZINC000178939301 644446221 /nfs/dbraw/zinc/44/62/21/644446221.db2.gz IZCMSYWHFSNSDG-INIZCTEOSA-N 1 2 378.897 2.255 20 0 GEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000544653775 650948194 /nfs/dbraw/zinc/94/81/94/650948194.db2.gz VOJUMBJHWOFSHN-WDEREUQCSA-N 1 2 389.315 2.097 20 0 GEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000544653775 650948198 /nfs/dbraw/zinc/94/81/98/650948198.db2.gz VOJUMBJHWOFSHN-WDEREUQCSA-N 1 2 389.315 2.097 20 0 GEADLO CN1CC[N@H+](C)C[C@H]1c1noc(CNC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000545088390 650961200 /nfs/dbraw/zinc/96/12/00/650961200.db2.gz RGSVAAHWAXZGHR-ZDUSSCGKSA-N 1 2 384.267 2.225 20 0 GEADLO CN1CC[N@@H+](C)C[C@H]1c1noc(CNC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000545088390 650961205 /nfs/dbraw/zinc/96/12/05/650961205.db2.gz RGSVAAHWAXZGHR-ZDUSSCGKSA-N 1 2 384.267 2.225 20 0 GEADLO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000545168164 650963781 /nfs/dbraw/zinc/96/37/81/650963781.db2.gz WKROFJFRJNSNBU-UHFFFAOYSA-N 1 2 377.297 2.487 20 0 GEADLO CCN(C1CC[NH+](Cc2cc(C(=O)OC)ccc2Cl)CC1)S(C)(=O)=O ZINC000182003600 644955377 /nfs/dbraw/zinc/95/53/77/644955377.db2.gz DUXVKIIFCAVSJR-UHFFFAOYSA-N 1 2 388.917 2.373 20 0 GEADLO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCN(C3=NC[C@@H](C)S3)CC2)c1 ZINC000182536908 644965015 /nfs/dbraw/zinc/96/50/15/644965015.db2.gz VWTHNBPXXUYNCA-HUUCEWRRSA-N 1 2 383.945 2.497 20 0 GEADLO Cc1csc([C@@H](C)CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000183183396 644984748 /nfs/dbraw/zinc/98/47/48/644984748.db2.gz XHMSWZHRWYHLTA-GUYCJALGSA-N 1 2 384.571 2.062 20 0 GEADLO CC1([C@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)OCCO1 ZINC000183847634 645005421 /nfs/dbraw/zinc/00/54/21/645005421.db2.gz HWZHCHGZZIPIEQ-ZFWWWQNUSA-N 1 2 383.286 2.451 20 0 GEADLO CC1([C@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)OCCO1 ZINC000183847634 645005424 /nfs/dbraw/zinc/00/54/24/645005424.db2.gz HWZHCHGZZIPIEQ-ZFWWWQNUSA-N 1 2 383.286 2.451 20 0 GEADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000184178209 645012029 /nfs/dbraw/zinc/01/20/29/645012029.db2.gz XOICQGMOYDAPSD-JBNJFFQFSA-N 1 2 386.901 2.210 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000545504509 650977462 /nfs/dbraw/zinc/97/74/62/650977462.db2.gz QODVKJBYUVUSLM-LBPRGKRZSA-N 1 2 382.258 2.214 20 0 GEADLO C[C@@H](NC(=O)NNc1ccc(Br)c(F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000185355654 645043140 /nfs/dbraw/zinc/04/31/40/645043140.db2.gz BRJQKKPDOCSNJV-MNOVXSKESA-N 1 2 389.269 2.324 20 0 GEADLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000545504509 650977465 /nfs/dbraw/zinc/97/74/65/650977465.db2.gz QODVKJBYUVUSLM-LBPRGKRZSA-N 1 2 382.258 2.214 20 0 GEADLO O=C(NCCCNc1cccc[nH+]1)Nc1ccncc1I ZINC000545425320 650974453 /nfs/dbraw/zinc/97/44/53/650974453.db2.gz BTHCJYRVJJBGFQ-UHFFFAOYSA-N 1 2 397.220 2.127 20 0 GEADLO Cc1ccc(C[S@](=O)c2ccc(S(=O)(=O)N3CCCC3)cn2)c(C)[nH+]1 ZINC000187064765 645082363 /nfs/dbraw/zinc/08/23/63/645082363.db2.gz PSNAFOLYDZSAIX-DEOSSOPVSA-N 1 2 379.507 2.186 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000188801504 645126495 /nfs/dbraw/zinc/12/64/95/645126495.db2.gz HQNCIQWODSHHBJ-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC[N@H+]1CC(C)(C)O ZINC000188801504 645126498 /nfs/dbraw/zinc/12/64/98/645126498.db2.gz HQNCIQWODSHHBJ-LLVKDONJSA-N 1 2 381.325 2.459 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000190367294 645153462 /nfs/dbraw/zinc/15/34/62/645153462.db2.gz OFMHQGZEDRPJHC-INIZCTEOSA-N 1 2 390.933 2.221 20 0 GEADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000190367294 645153467 /nfs/dbraw/zinc/15/34/67/645153467.db2.gz OFMHQGZEDRPJHC-INIZCTEOSA-N 1 2 390.933 2.221 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1nc2c(s1)CCCC2 ZINC000192602928 645213823 /nfs/dbraw/zinc/21/38/23/645213823.db2.gz WUZRDEBJBFYKIG-QGZVFWFLSA-N 1 2 382.555 2.351 20 0 GEADLO O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000193110472 645243082 /nfs/dbraw/zinc/24/30/82/645243082.db2.gz HUAKRBTZBGGBRQ-UHFFFAOYSA-N 1 2 392.297 2.183 20 0 GEADLO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1nnc2ccccn21 ZINC000193154145 645245955 /nfs/dbraw/zinc/24/59/55/645245955.db2.gz WACNGBGYCRFPHT-JTQLQIEISA-N 1 2 375.230 2.176 20 0 GEADLO Cc1cc(NNC(=O)C(=O)Nc2ccc(Br)c(C)c2F)nc(C)[nH+]1 ZINC000193353818 645267960 /nfs/dbraw/zinc/26/79/60/645267960.db2.gz BAZFVLFLJOEIKG-UHFFFAOYSA-N 1 2 396.220 2.385 20 0 GEADLO CNc1[nH+]cnc2c1cnn2C[C@H](O)COc1cccc(Br)c1 ZINC000193756860 645296703 /nfs/dbraw/zinc/29/67/03/645296703.db2.gz WIOBRBVMZDTYJG-NSHDSACASA-N 1 2 378.230 2.070 20 0 GEADLO C[NH+](C)Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000194591943 645336638 /nfs/dbraw/zinc/33/66/38/645336638.db2.gz RRDGRCWDRBFFEY-UHFFFAOYSA-N 1 2 385.848 2.440 20 0 GEADLO C[C@@H](CNC(=O)COc1cccc(I)c1)Cn1cc[nH+]c1 ZINC000194679259 645342228 /nfs/dbraw/zinc/34/22/28/645342228.db2.gz UFBXRYSVTQWIFU-LBPRGKRZSA-N 1 2 399.232 2.319 20 0 GEADLO O=S(=O)(NCC[NH+]1CCSCC1)c1ccc(Br)cc1Cl ZINC000226236194 645389598 /nfs/dbraw/zinc/38/95/98/645389598.db2.gz UOTSDFXQZAKQLU-UHFFFAOYSA-N 1 2 399.763 2.430 20 0 GEADLO Cc1ccc(Br)cc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000226235949 645390134 /nfs/dbraw/zinc/39/01/34/645390134.db2.gz ZNNDQSBAXWZMJP-UHFFFAOYSA-N 1 2 379.345 2.085 20 0 GEADLO Cc1cc2c(cc1Br)N(C[C@@H](O)C[NH+]1CCOCC1)C[C@@H](C)O2 ZINC000246197848 645477869 /nfs/dbraw/zinc/47/78/69/645477869.db2.gz WRIRKBPUZJIKSV-KGLIPLIRSA-N 1 2 385.302 2.038 20 0 GEADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000246703243 645489025 /nfs/dbraw/zinc/48/90/25/645489025.db2.gz FGGFHSBIONGZEO-SRVKXCTJSA-N 1 2 376.881 2.164 20 0 GEADLO CSCC[C@@H](C)[N@H+](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000247198836 645507252 /nfs/dbraw/zinc/50/72/52/645507252.db2.gz UNIDHPLZCSIXFF-WBVHZDCISA-N 1 2 390.615 2.408 20 0 GEADLO CSCC[C@@H](C)[N@@H+](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000247198836 645507258 /nfs/dbraw/zinc/50/72/58/645507258.db2.gz UNIDHPLZCSIXFF-WBVHZDCISA-N 1 2 390.615 2.408 20 0 GEADLO CC1([C@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)OCCO1 ZINC000248448765 645527001 /nfs/dbraw/zinc/52/70/01/645527001.db2.gz HWZHCHGZZIPIEQ-DZGCQCFKSA-N 1 2 383.286 2.451 20 0 GEADLO CC1([C@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)OCCO1 ZINC000248448765 645527004 /nfs/dbraw/zinc/52/70/04/645527004.db2.gz HWZHCHGZZIPIEQ-DZGCQCFKSA-N 1 2 383.286 2.451 20 0 GEADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1)c1ccc(Br)cc1 ZINC000249748122 645559783 /nfs/dbraw/zinc/55/97/83/645559783.db2.gz OSZARNPYABRTIT-WBMJQRKESA-N 1 2 394.313 2.369 20 0 GEADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1)c1ccc(Br)cc1 ZINC000249748122 645559789 /nfs/dbraw/zinc/55/97/89/645559789.db2.gz OSZARNPYABRTIT-WBMJQRKESA-N 1 2 394.313 2.369 20 0 GEADLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cnc3n2CCC3)[C@H]1c1ccc(Cl)cc1 ZINC000547474253 651028277 /nfs/dbraw/zinc/02/82/77/651028277.db2.gz SGWFRHBCHOGHHK-RHSMWYFYSA-N 1 2 380.901 2.206 20 0 GEADLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cnc3n2CCC3)[C@H]1c1ccc(Cl)cc1 ZINC000547474253 651028280 /nfs/dbraw/zinc/02/82/80/651028280.db2.gz SGWFRHBCHOGHHK-RHSMWYFYSA-N 1 2 380.901 2.206 20 0 GEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cccc(Br)c1 ZINC000264324651 645674627 /nfs/dbraw/zinc/67/46/27/645674627.db2.gz RGQXBHWPTCLXSQ-UHFFFAOYSA-N 1 2 379.258 2.230 20 0 GEADLO CS(=O)(=O)c1ccc(OCCC[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264608961 645695512 /nfs/dbraw/zinc/69/55/12/645695512.db2.gz DWGTUEWQQXUJED-HUUCEWRRSA-N 1 2 381.416 2.247 20 0 GEADLO CS(=O)(=O)c1ccc(OCCC[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264608961 645695518 /nfs/dbraw/zinc/69/55/18/645695518.db2.gz DWGTUEWQQXUJED-HUUCEWRRSA-N 1 2 381.416 2.247 20 0 GEADLO CNS(=O)(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000264700170 645703857 /nfs/dbraw/zinc/70/38/57/645703857.db2.gz IDMUSNFKEVKSJX-SNVBAGLBSA-N 1 2 394.324 2.334 20 0 GEADLO CS(=O)(=O)CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000264771541 645714269 /nfs/dbraw/zinc/71/42/69/645714269.db2.gz POJFICJVOURWSH-UHFFFAOYSA-N 1 2 387.864 2.139 20 0 GEADLO Cc1csc(C2([NH2+]CC(=O)Nc3ccc(S(C)(=O)=O)cc3)CCC2)n1 ZINC000265555111 645773308 /nfs/dbraw/zinc/77/33/08/645773308.db2.gz ZGLMOOPWXXLEAX-UHFFFAOYSA-N 1 2 379.507 2.463 20 0 GEADLO O=C(COc1cccc(Br)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000266284026 645835513 /nfs/dbraw/zinc/83/55/13/645835513.db2.gz AOGQSKGECSPCCX-HNNXBMFYSA-N 1 2 383.286 2.151 20 0 GEADLO CC[N@H+](CCOc1ccc(C(=O)OC)cc1Cl)[C@@H](C)CS(C)(=O)=O ZINC000266516098 645847178 /nfs/dbraw/zinc/84/71/78/645847178.db2.gz GOBOETNFYPLVHB-LBPRGKRZSA-N 1 2 377.890 2.260 20 0 GEADLO CC[N@@H+](CCOc1ccc(C(=O)OC)cc1Cl)[C@@H](C)CS(C)(=O)=O ZINC000266516098 645847181 /nfs/dbraw/zinc/84/71/81/645847181.db2.gz GOBOETNFYPLVHB-LBPRGKRZSA-N 1 2 377.890 2.260 20 0 GEADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)Cc1csc(Br)c1 ZINC000266693864 645859413 /nfs/dbraw/zinc/85/94/13/645859413.db2.gz FCIXIXZTWJCVTF-CMPLNLGQSA-N 1 2 388.331 2.055 20 0 GEADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1csc(Br)c1 ZINC000266693864 645859419 /nfs/dbraw/zinc/85/94/19/645859419.db2.gz FCIXIXZTWJCVTF-CMPLNLGQSA-N 1 2 388.331 2.055 20 0 GEADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)Cc1csc(Br)c1 ZINC000266693866 645859477 /nfs/dbraw/zinc/85/94/77/645859477.db2.gz FCIXIXZTWJCVTF-JQWIXIFHSA-N 1 2 388.331 2.055 20 0 GEADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)Cc1csc(Br)c1 ZINC000266693866 645859480 /nfs/dbraw/zinc/85/94/80/645859480.db2.gz FCIXIXZTWJCVTF-JQWIXIFHSA-N 1 2 388.331 2.055 20 0 GEADLO CNS(=O)(=O)C1CC[NH+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000266758411 645862652 /nfs/dbraw/zinc/86/26/52/645862652.db2.gz SCENZGRIJUZYGH-LLVKDONJSA-N 1 2 384.889 2.465 20 0 GEADLO CN1CC[N@H+](C)[C@H](CNC(=O)CCc2cc(Cl)ccc2Br)C1 ZINC000267458582 645904367 /nfs/dbraw/zinc/90/43/67/645904367.db2.gz QTKJUWJPXBUIBJ-CQSZACIVSA-N 1 2 388.737 2.397 20 0 GEADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCc2cc(Cl)ccc2Br)C1 ZINC000267458582 645904381 /nfs/dbraw/zinc/90/43/81/645904381.db2.gz QTKJUWJPXBUIBJ-CQSZACIVSA-N 1 2 388.737 2.397 20 0 GEADLO C[C@H]1CN(C(=O)Nc2nnc(-c3ccsc3)s2)C[C@@H]1[NH+]1CCOCC1 ZINC000267566188 645908281 /nfs/dbraw/zinc/90/82/81/645908281.db2.gz HPJRPWVZSUJLIM-AAEUAGOBSA-N 1 2 379.511 2.451 20 0 GEADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000268021557 645939963 /nfs/dbraw/zinc/93/99/63/645939963.db2.gz BRSHIRIXUGOZLE-LLVKDONJSA-N 1 2 383.857 2.418 20 0 GEADLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[S@](=O)Cc1c[nH+]cn1C ZINC000268158759 645949241 /nfs/dbraw/zinc/94/92/41/645949241.db2.gz MZYGMKPDTVPUBI-DAOPMYJZSA-N 1 2 398.326 2.478 20 0 GEADLO C[C@@H]1CCN(S(=O)(=O)c2cncc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000268231601 645956409 /nfs/dbraw/zinc/95/64/09/645956409.db2.gz FSANNSKMRNVFMC-BXUZGUMPSA-N 1 2 385.287 2.312 20 0 GEADLO COc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c(I)c1 ZINC000268348011 645960108 /nfs/dbraw/zinc/96/01/08/645960108.db2.gz JMJFZWNBLBRLLH-SNVBAGLBSA-N 1 2 385.205 2.315 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000270447826 646108298 /nfs/dbraw/zinc/10/82/98/646108298.db2.gz ITNQBEUMRKZJHS-OTYXRUKQSA-N 1 2 386.235 2.384 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000270447826 646108302 /nfs/dbraw/zinc/10/83/02/646108302.db2.gz ITNQBEUMRKZJHS-OTYXRUKQSA-N 1 2 386.235 2.384 20 0 GEADLO NC(=O)[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(Br)cc1F ZINC000271334284 646192567 /nfs/dbraw/zinc/19/25/67/646192567.db2.gz AZVRGEOFXJFRLL-BXUZGUMPSA-N 1 2 387.249 2.390 20 0 GEADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3nccn4c(Br)cnc34)n2)C1 ZINC000272565083 646278148 /nfs/dbraw/zinc/27/81/48/646278148.db2.gz CJGWTBLISPJQCP-SNVBAGLBSA-N 1 2 393.245 2.324 20 0 GEADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3nccn4c(Br)cnc34)n2)C1 ZINC000272565083 646278155 /nfs/dbraw/zinc/27/81/55/646278155.db2.gz CJGWTBLISPJQCP-SNVBAGLBSA-N 1 2 393.245 2.324 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CCC=C(F)C2)c1 ZINC000272584511 646279725 /nfs/dbraw/zinc/27/97/25/646279725.db2.gz WNSFCHSDEALEHH-UHFFFAOYSA-N 1 2 389.880 2.478 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CCC=C(F)C2)c1 ZINC000272584511 646279734 /nfs/dbraw/zinc/27/97/34/646279734.db2.gz WNSFCHSDEALEHH-UHFFFAOYSA-N 1 2 389.880 2.478 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)NC3CCOCC3)[nH+]c12 ZINC000273175359 646309179 /nfs/dbraw/zinc/30/91/79/646309179.db2.gz ACAXJCNGYVNNSN-UHFFFAOYSA-N 1 2 381.274 2.426 20 0 GEADLO C[C@H](CCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)[NH+]1CCCCC1 ZINC000273211334 646309671 /nfs/dbraw/zinc/30/96/71/646309671.db2.gz UCOYEVROGGWTCO-CQSZACIVSA-N 1 2 388.555 2.170 20 0 GEADLO CN1CCN(c2cc(NCc3csc(Br)c3)[nH+]cn2)CC1=O ZINC000274774143 646330473 /nfs/dbraw/zinc/33/04/73/646330473.db2.gz BUWIGKYUVJKARX-UHFFFAOYSA-N 1 2 382.287 2.191 20 0 GEADLO CN1CCN(c2cc(NCc3csc(Br)c3)nc[nH+]2)CC1=O ZINC000274774143 646330477 /nfs/dbraw/zinc/33/04/77/646330477.db2.gz BUWIGKYUVJKARX-UHFFFAOYSA-N 1 2 382.287 2.191 20 0 GEADLO COCCOCCOCC[N@H+](C)Cc1ccc(OC)c(O)c1Br ZINC000276155552 646369547 /nfs/dbraw/zinc/36/95/47/646369547.db2.gz GYQDGHCHKQFZPC-UHFFFAOYSA-N 1 2 392.290 2.275 20 0 GEADLO COCCOCCOCC[N@@H+](C)Cc1ccc(OC)c(O)c1Br ZINC000276155552 646369552 /nfs/dbraw/zinc/36/95/52/646369552.db2.gz GYQDGHCHKQFZPC-UHFFFAOYSA-N 1 2 392.290 2.275 20 0 GEADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000277228035 646391243 /nfs/dbraw/zinc/39/12/43/646391243.db2.gz XDSWBYXJKBZNJI-OAHLLOKOSA-N 1 2 391.269 2.288 20 0 GEADLO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277621036 646452746 /nfs/dbraw/zinc/45/27/46/646452746.db2.gz AISDZUHOQINMHH-SWLSCSKDSA-N 1 2 381.416 2.104 20 0 GEADLO CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277621036 646452751 /nfs/dbraw/zinc/45/27/51/646452751.db2.gz AISDZUHOQINMHH-SWLSCSKDSA-N 1 2 381.416 2.104 20 0 GEADLO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277621034 646452790 /nfs/dbraw/zinc/45/27/90/646452790.db2.gz AISDZUHOQINMHH-DOMZBBRYSA-N 1 2 381.416 2.104 20 0 GEADLO CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277621034 646452792 /nfs/dbraw/zinc/45/27/92/646452792.db2.gz AISDZUHOQINMHH-DOMZBBRYSA-N 1 2 381.416 2.104 20 0 GEADLO C[C@H]([C@H](C)N1C(=O)N[C@H](c2ccc(Br)cc2)C1=O)[NH+]1CCOCC1 ZINC000277969570 646484612 /nfs/dbraw/zinc/48/46/12/646484612.db2.gz SDHDBFBYQOESLR-TYNCELHUSA-N 1 2 396.285 2.151 20 0 GEADLO Cn1c[nH+]cc1C[S@](=O)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000278055350 646488017 /nfs/dbraw/zinc/48/80/17/646488017.db2.gz JJZQFRWFXXWDCG-VWLOTQADSA-N 1 2 383.857 2.122 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000278270879 646508939 /nfs/dbraw/zinc/50/89/39/646508939.db2.gz JBPKJYSNIBLQKN-WFASDCNBSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000278270879 646508944 /nfs/dbraw/zinc/50/89/44/646508944.db2.gz JBPKJYSNIBLQKN-WFASDCNBSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000278368165 646517368 /nfs/dbraw/zinc/51/73/68/646517368.db2.gz SGWZSLALOWMULW-SWLSCSKDSA-N 1 2 376.266 2.434 20 0 GEADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000278368165 646517371 /nfs/dbraw/zinc/51/73/71/646517371.db2.gz SGWZSLALOWMULW-SWLSCSKDSA-N 1 2 376.266 2.434 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000278841535 646556236 /nfs/dbraw/zinc/55/62/36/646556236.db2.gz JHXYPQNVMKSFCM-CZUORRHYSA-N 1 2 376.881 2.012 20 0 GEADLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000278841535 646556237 /nfs/dbraw/zinc/55/62/37/646556237.db2.gz JHXYPQNVMKSFCM-CZUORRHYSA-N 1 2 376.881 2.012 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000279408812 646599353 /nfs/dbraw/zinc/59/93/53/646599353.db2.gz WTSIGRZUWQTJKE-LLVKDONJSA-N 1 2 381.274 2.118 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1csc(Br)c1 ZINC000279535763 646608531 /nfs/dbraw/zinc/60/85/31/646608531.db2.gz QNTSZOXBXREUIO-LLVKDONJSA-N 1 2 376.320 2.373 20 0 GEADLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000279695971 646623299 /nfs/dbraw/zinc/62/32/99/646623299.db2.gz IDMXNZPXTSDKHP-NSHDSACASA-N 1 2 385.262 2.245 20 0 GEADLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000279695971 646623305 /nfs/dbraw/zinc/62/33/05/646623305.db2.gz IDMXNZPXTSDKHP-NSHDSACASA-N 1 2 385.262 2.245 20 0 GEADLO O=C(C[NH2+]Cc1c(F)ccc(I)c1F)NCC1CC1 ZINC000279776293 646626036 /nfs/dbraw/zinc/62/60/36/646626036.db2.gz APNRTSDAWWYRJY-UHFFFAOYSA-N 1 2 380.176 2.185 20 0 GEADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(S(C)(=O)=O)CC3)n2)C1 ZINC000279826602 646631172 /nfs/dbraw/zinc/63/11/72/646631172.db2.gz DRBBLBFKYMGDRV-GFCCVEGCSA-N 1 2 386.543 2.074 20 0 GEADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(S(C)(=O)=O)CC3)n2)C1 ZINC000279826602 646631174 /nfs/dbraw/zinc/63/11/74/646631174.db2.gz DRBBLBFKYMGDRV-GFCCVEGCSA-N 1 2 386.543 2.074 20 0 GEADLO CC(C)N1CC[C@H]([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1=O ZINC000280274336 646666139 /nfs/dbraw/zinc/66/61/39/646666139.db2.gz YBIMYRBBWYFCEJ-RNCFNFMXSA-N 1 2 394.324 2.301 20 0 GEADLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@@]2(CCOC2)O1 ZINC000280585970 646695806 /nfs/dbraw/zinc/69/58/06/646695806.db2.gz TXKUIWXVMWZSAY-RDTXWAMCSA-N 1 2 397.313 2.287 20 0 GEADLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@@]2(CCOC2)O1 ZINC000280585970 646695810 /nfs/dbraw/zinc/69/58/10/646695810.db2.gz TXKUIWXVMWZSAY-RDTXWAMCSA-N 1 2 397.313 2.287 20 0 GEADLO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@@]2(CCOC2)O1 ZINC000280585953 646695992 /nfs/dbraw/zinc/69/59/92/646695992.db2.gz TXKUIWXVMWZSAY-KBXCAEBGSA-N 1 2 397.313 2.287 20 0 GEADLO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@@]2(CCOC2)O1 ZINC000280585953 646695995 /nfs/dbraw/zinc/69/59/95/646695995.db2.gz TXKUIWXVMWZSAY-KBXCAEBGSA-N 1 2 397.313 2.287 20 0 GEADLO CN(C)[C@@H](C(=O)Nc1ccc(I)cc1)c1c[nH+]cn1C ZINC000280665161 646703517 /nfs/dbraw/zinc/70/35/17/646703517.db2.gz BBOOBEIGWWOOPN-CYBMUJFWSA-N 1 2 384.221 2.266 20 0 GEADLO COc1ccc(Br)cc1CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000285987398 646863814 /nfs/dbraw/zinc/86/38/14/646863814.db2.gz XNJJWDXHFSSVMW-BBRMVZONSA-N 1 2 397.313 2.322 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1cc(F)ccc1Br ZINC000286026013 646865339 /nfs/dbraw/zinc/86/53/39/646865339.db2.gz ZVWOQHPCPDOKTO-SWLSCSKDSA-N 1 2 385.277 2.452 20 0 GEADLO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CCn2c[nH+]cc2C1 ZINC000291100247 647177856 /nfs/dbraw/zinc/17/78/56/647177856.db2.gz LORYAIVWWGZFIB-ZDUSSCGKSA-N 1 2 389.253 2.041 20 0 GEADLO C[N@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292154348 647181699 /nfs/dbraw/zinc/18/16/99/647181699.db2.gz KLGLZJNTIVHTOV-LLVKDONJSA-N 1 2 377.388 2.312 20 0 GEADLO C[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292154348 647181703 /nfs/dbraw/zinc/18/17/03/647181703.db2.gz KLGLZJNTIVHTOV-LLVKDONJSA-N 1 2 377.388 2.312 20 0 GEADLO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCN(c2cccc[nH+]2)CC1 ZINC000326243946 647304648 /nfs/dbraw/zinc/30/46/48/647304648.db2.gz MIPUGONUFGRSRI-UHFFFAOYSA-N 1 2 392.213 2.110 20 0 GEADLO C[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1CO ZINC000330463315 647338540 /nfs/dbraw/zinc/33/85/40/647338540.db2.gz CLYTZEBNUMCTAN-WFASDCNBSA-N 1 2 376.316 2.316 20 0 GEADLO C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1CO ZINC000330463315 647338543 /nfs/dbraw/zinc/33/85/43/647338543.db2.gz CLYTZEBNUMCTAN-WFASDCNBSA-N 1 2 376.316 2.316 20 0 GEADLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C)CC1 ZINC000330757312 647351527 /nfs/dbraw/zinc/35/15/27/647351527.db2.gz IEEOGXUARHZXFX-CQSZACIVSA-N 1 2 380.432 2.091 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1Cl ZINC000331208957 647370569 /nfs/dbraw/zinc/37/05/69/647370569.db2.gz WFNLMFLVCGYDPB-ZDUSSCGKSA-N 1 2 390.933 2.123 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1Cl ZINC000331208957 647370573 /nfs/dbraw/zinc/37/05/73/647370573.db2.gz WFNLMFLVCGYDPB-ZDUSSCGKSA-N 1 2 390.933 2.123 20 0 GEADLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccc3ncsc3c2)C[C@H](C)O1 ZINC000332109432 647412381 /nfs/dbraw/zinc/41/23/81/647412381.db2.gz VFQMOZLFEBLGQQ-STQMWFEESA-N 1 2 383.539 2.462 20 0 GEADLO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c2ccc(Br)cc2n1 ZINC000332110786 647412491 /nfs/dbraw/zinc/41/24/91/647412491.db2.gz CDRXOEQPZWCGLC-ZDUSSCGKSA-N 1 2 378.270 2.366 20 0 GEADLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c2ccc(Br)cc2n1 ZINC000332110786 647412493 /nfs/dbraw/zinc/41/24/93/647412493.db2.gz CDRXOEQPZWCGLC-ZDUSSCGKSA-N 1 2 378.270 2.366 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc1Cl ZINC000332526124 647441839 /nfs/dbraw/zinc/44/18/39/647441839.db2.gz OUMAAOQOCTWAIJ-OLZOCXBDSA-N 1 2 386.901 2.374 20 0 GEADLO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1Cl ZINC000332526124 647441843 /nfs/dbraw/zinc/44/18/43/647441843.db2.gz OUMAAOQOCTWAIJ-OLZOCXBDSA-N 1 2 386.901 2.374 20 0 GEADLO C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[S@@](=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000332765561 647452862 /nfs/dbraw/zinc/45/28/62/647452862.db2.gz OOAGVQPSMWPZQJ-SAQVIGJXSA-N 1 2 387.908 2.292 20 0 GEADLO C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[S@@](=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000332765561 647452868 /nfs/dbraw/zinc/45/28/68/647452868.db2.gz OOAGVQPSMWPZQJ-SAQVIGJXSA-N 1 2 387.908 2.292 20 0 GEADLO Cn1c[nH+]cc1Cc1noc(CCCS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000350206695 647529230 /nfs/dbraw/zinc/52/92/30/647529230.db2.gz JTOALCTUOUALNY-UHFFFAOYSA-N 1 2 380.857 2.454 20 0 GEADLO C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000363396941 647594306 /nfs/dbraw/zinc/59/43/06/647594306.db2.gz ALCQPXQUQUPDKT-VIFPVBQESA-N 1 2 383.212 2.350 20 0 GEADLO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000363635783 647604086 /nfs/dbraw/zinc/60/40/86/647604086.db2.gz MSPCIZWUURLCBJ-CQSZACIVSA-N 1 2 383.945 2.443 20 0 GEADLO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000363635783 647604090 /nfs/dbraw/zinc/60/40/90/647604090.db2.gz MSPCIZWUURLCBJ-CQSZACIVSA-N 1 2 383.945 2.443 20 0 GEADLO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)c2cccnc12 ZINC000364757753 647640929 /nfs/dbraw/zinc/64/09/29/647640929.db2.gz QONUPURCOIQTCP-OAHLLOKOSA-N 1 2 377.535 2.355 20 0 GEADLO Cc1cc(Br)cn2c(CN3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)c[nH+]c12 ZINC000364936545 647650234 /nfs/dbraw/zinc/65/02/34/647650234.db2.gz OURHZYSBZBKVDG-GLQYFDAESA-N 1 2 377.286 2.491 20 0 GEADLO Cc1cc(Br)cn2c(CN3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)c[nH+]c12 ZINC000364936544 647650446 /nfs/dbraw/zinc/65/04/46/647650446.db2.gz OURHZYSBZBKVDG-CQDKDKBSSA-N 1 2 377.286 2.491 20 0 GEADLO C[C@H]1CCN(Cc2nnc(S(C)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000364948736 647650757 /nfs/dbraw/zinc/65/07/57/647650757.db2.gz FJGFPEHFYGDFHB-AWEZNQCLSA-N 1 2 380.539 2.038 20 0 GEADLO C[C@H]1CCN(Cc2nnc(S(C)(=O)=O)s2)CC[N@H+]1Cc1ccccc1 ZINC000364948736 647650761 /nfs/dbraw/zinc/65/07/61/647650761.db2.gz FJGFPEHFYGDFHB-AWEZNQCLSA-N 1 2 380.539 2.038 20 0 GEADLO O=C(N1CC[NH+]([C@H]2CCOC2)CC1)C1(c2ccccc2Br)CC1 ZINC000364969538 647653072 /nfs/dbraw/zinc/65/30/72/647653072.db2.gz ATSXQKKPEFAELI-AWEZNQCLSA-N 1 2 379.298 2.414 20 0 GEADLO O=C(Cc1cc[nH]c(=O)c1Br)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000365214382 647664471 /nfs/dbraw/zinc/66/44/71/647664471.db2.gz BAEHINUVYMSNOO-CYBMUJFWSA-N 1 2 391.269 2.272 20 0 GEADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000365732053 647683852 /nfs/dbraw/zinc/68/38/52/647683852.db2.gz DAWICDFEOKLMTC-CQSZACIVSA-N 1 2 389.253 2.086 20 0 GEADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(Br)cn2)C1 ZINC000365732053 647683856 /nfs/dbraw/zinc/68/38/56/647683856.db2.gz DAWICDFEOKLMTC-CQSZACIVSA-N 1 2 389.253 2.086 20 0 GEADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000365744441 647685710 /nfs/dbraw/zinc/68/57/10/647685710.db2.gz RGBJJNBCGQZCKU-UHFFFAOYSA-N 1 2 379.258 2.284 20 0 GEADLO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366053816 647692455 /nfs/dbraw/zinc/69/24/55/647692455.db2.gz SRJSIZFTQGDDSD-HIFRSBDPSA-N 1 2 383.286 2.150 20 0 GEADLO O=C1CO[C@@H]2CC[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@H]2N1 ZINC000366784944 647704300 /nfs/dbraw/zinc/70/43/00/647704300.db2.gz FSFCOOWRPSEIIY-ZIAGYGMSSA-N 1 2 392.253 2.193 20 0 GEADLO O=C1CO[C@@H]2CC[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@H]2N1 ZINC000366784944 647704311 /nfs/dbraw/zinc/70/43/11/647704311.db2.gz FSFCOOWRPSEIIY-ZIAGYGMSSA-N 1 2 392.253 2.193 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000367000172 647714176 /nfs/dbraw/zinc/71/41/76/647714176.db2.gz CVZQWTWFXZYLMJ-SWLSCSKDSA-N 1 2 381.325 2.429 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000367000172 647714182 /nfs/dbraw/zinc/71/41/82/647714182.db2.gz CVZQWTWFXZYLMJ-SWLSCSKDSA-N 1 2 381.325 2.429 20 0 GEADLO O=S(=O)(c1ccccc1Br)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000367529352 647735635 /nfs/dbraw/zinc/73/56/35/647735635.db2.gz OBQXIIMCAFTWSX-GFCCVEGCSA-N 1 2 391.356 2.261 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccncc2I)C1 ZINC000371265446 647788554 /nfs/dbraw/zinc/78/85/54/647788554.db2.gz AHKVCZZVSWHZES-SNVBAGLBSA-N 1 2 382.205 2.049 20 0 GEADLO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)cc1OC ZINC000371459068 647793259 /nfs/dbraw/zinc/79/32/59/647793259.db2.gz NBAKFOSEPHFXQP-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](S(=O)(=O)NC)C2)cc1OC ZINC000371459068 647793261 /nfs/dbraw/zinc/79/32/61/647793261.db2.gz NBAKFOSEPHFXQP-ZDUSSCGKSA-N 1 2 376.906 2.261 20 0 GEADLO Cc1cc(Br)cn2c(CN3CC(n4cc([C@@H](C)O)nn4)C3)c[nH+]c12 ZINC000371803293 647800788 /nfs/dbraw/zinc/80/07/88/647800788.db2.gz OYUVEKBNWANTGG-LLVKDONJSA-N 1 2 391.273 2.107 20 0 GEADLO CCN(C[C@H](O)C(F)(F)F)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000372463946 647805516 /nfs/dbraw/zinc/80/55/16/647805516.db2.gz KSYKYGMQGMPRAQ-ZDUSSCGKSA-N 1 2 380.436 2.062 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000374342344 647822019 /nfs/dbraw/zinc/82/20/19/647822019.db2.gz SYFPDEDTBRKLLQ-LBPRGKRZSA-N 1 2 381.263 2.473 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccncc2I)C1 ZINC000375946496 647837587 /nfs/dbraw/zinc/83/75/87/647837587.db2.gz HRCRYOJJFKMECN-NSHDSACASA-N 1 2 396.232 2.440 20 0 GEADLO CCC(=O)N1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000376095774 647839717 /nfs/dbraw/zinc/83/97/17/647839717.db2.gz JARJUYVCSCOTRY-MRXNPFEDSA-N 1 2 394.313 2.499 20 0 GEADLO CCC(=O)N1CCC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000376095774 647839718 /nfs/dbraw/zinc/83/97/18/647839718.db2.gz JARJUYVCSCOTRY-MRXNPFEDSA-N 1 2 394.313 2.499 20 0 GEADLO CSC1(CNC(=O)NC2CC[NH+](Cc3cscn3)CC2)CCOCC1 ZINC000377877778 647871329 /nfs/dbraw/zinc/87/13/29/647871329.db2.gz CZBPUTDVFAFTIN-UHFFFAOYSA-N 1 2 384.571 2.319 20 0 GEADLO Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000401660194 647903590 /nfs/dbraw/zinc/90/35/90/647903590.db2.gz XEGZXYVOQUVNRI-UHFFFAOYSA-N 1 2 378.679 2.357 20 0 GEADLO C[C@@H]1[C@H](C)N(C(=O)c2[nH]nc3ccc(I)cc32)CC[N@H+]1C ZINC000408090002 647924965 /nfs/dbraw/zinc/92/49/65/647924965.db2.gz UEJKVKUGNANAJI-ZJUUUORDSA-N 1 2 398.248 2.332 20 0 GEADLO C[C@@H]1[C@H](C)N(C(=O)c2[nH]nc3ccc(I)cc32)CC[N@@H+]1C ZINC000408090002 647924970 /nfs/dbraw/zinc/92/49/70/647924970.db2.gz UEJKVKUGNANAJI-ZJUUUORDSA-N 1 2 398.248 2.332 20 0 GEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000408089997 647925039 /nfs/dbraw/zinc/92/50/39/647925039.db2.gz UEJKVKUGNANAJI-UWVGGRQHSA-N 1 2 398.248 2.332 20 0 GEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000408089997 647925044 /nfs/dbraw/zinc/92/50/44/647925044.db2.gz UEJKVKUGNANAJI-UWVGGRQHSA-N 1 2 398.248 2.332 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409460459 647962214 /nfs/dbraw/zinc/96/22/14/647962214.db2.gz FYOCVRNNXGOJBH-OMWUSAIZSA-N 1 2 393.325 2.490 20 0 GEADLO CS(=O)(=O)c1ccc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)s1 ZINC000414295280 648090608 /nfs/dbraw/zinc/09/06/08/648090608.db2.gz NODIDGZQDKTRKR-UHFFFAOYSA-N 1 2 381.523 2.367 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C[C@H]1C ZINC000416454845 648130126 /nfs/dbraw/zinc/13/01/26/648130126.db2.gz SUVSEMICUOVCAP-NEPJUHHUSA-N 1 2 376.906 2.460 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)C[C@H]1C ZINC000416454845 648130132 /nfs/dbraw/zinc/13/01/32/648130132.db2.gz SUVSEMICUOVCAP-NEPJUHHUSA-N 1 2 376.906 2.460 20 0 GEADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000416650330 648202058 /nfs/dbraw/zinc/20/20/58/648202058.db2.gz AQFOBCAPOYIXKI-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000416650330 648202063 /nfs/dbraw/zinc/20/20/63/648202063.db2.gz AQFOBCAPOYIXKI-RYUDHWBXSA-N 1 2 381.325 2.210 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416651007 648202250 /nfs/dbraw/zinc/20/22/50/648202250.db2.gz AYLXUQQDKUONFE-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416651007 648202255 /nfs/dbraw/zinc/20/22/55/648202255.db2.gz AYLXUQQDKUONFE-CHWSQXEVSA-N 1 2 380.432 2.089 20 0 GEADLO COc1cc(F)c(Br)cc1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417557772 648252648 /nfs/dbraw/zinc/25/26/48/648252648.db2.gz SLKGDXSVHOOFHS-SNVBAGLBSA-N 1 2 390.253 2.439 20 0 GEADLO CCn1c[nH+]cc1CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000417689618 648257964 /nfs/dbraw/zinc/25/79/64/648257964.db2.gz ZCVNAOOJFDLOGF-UHFFFAOYSA-N 1 2 386.880 2.202 20 0 GEADLO COC1(C(F)(F)F)CC[NH+](CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000419337469 648348371 /nfs/dbraw/zinc/34/83/71/648348371.db2.gz WIQYRDZKIARODR-UHFFFAOYSA-N 1 2 379.404 2.117 20 0 GEADLO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(Cl)cc(Br)c1O ZINC000420021116 648396473 /nfs/dbraw/zinc/39/64/73/648396473.db2.gz UAXHKMZRLHVLGZ-CQSZACIVSA-N 1 2 379.682 2.241 20 0 GEADLO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1OC(F)F)C[NH+]1CCOCC1 ZINC000420669128 648431311 /nfs/dbraw/zinc/43/13/11/648431311.db2.gz FTKKZXLPOQBSES-LLVKDONJSA-N 1 2 398.859 2.188 20 0 GEADLO Cc1c(Cl)c(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)nn1C ZINC000421358381 648488951 /nfs/dbraw/zinc/48/89/51/648488951.db2.gz SRRKISPTWUVHRO-UHFFFAOYSA-N 1 2 395.287 2.243 20 0 GEADLO Cc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000421927303 648512108 /nfs/dbraw/zinc/51/21/08/648512108.db2.gz ZMCPPNVHLNFSOF-ZDUSSCGKSA-N 1 2 381.885 2.335 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2c1cccc2Br ZINC000422164030 648526333 /nfs/dbraw/zinc/52/63/33/648526333.db2.gz MXZZDABSJSUEST-ZDUSSCGKSA-N 1 2 381.318 2.157 20 0 GEADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCc2c1cccc2Br ZINC000422206009 648529070 /nfs/dbraw/zinc/52/90/70/648529070.db2.gz PMUVHPSINDBSPB-CYBMUJFWSA-N 1 2 380.286 2.384 20 0 GEADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCc2c1cccc2Br ZINC000422206009 648529074 /nfs/dbraw/zinc/52/90/74/648529074.db2.gz PMUVHPSINDBSPB-CYBMUJFWSA-N 1 2 380.286 2.384 20 0 GEADLO C[C@@H](CNC(=O)C(=O)NCCc1cn(C)c[nH+]1)c1c(Cl)cccc1Cl ZINC000422292308 648534968 /nfs/dbraw/zinc/53/49/68/648534968.db2.gz ILQLJSSEWAHZCW-NSHDSACASA-N 1 2 383.279 2.306 20 0 GEADLO CCn1cc(Br)cc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000518744119 648608400 /nfs/dbraw/zinc/60/84/00/648608400.db2.gz BCBUFXQYYZVTCO-UHFFFAOYSA-N 1 2 396.289 2.052 20 0 GEADLO O=C(NCCc1c(Cl)cccc1Cl)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424506154 648631661 /nfs/dbraw/zinc/63/16/61/648631661.db2.gz LWCWVCGWNVBNEO-JTQLQIEISA-N 1 2 394.249 2.013 20 0 GEADLO COc1ncc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1Br ZINC000424672303 648637799 /nfs/dbraw/zinc/63/77/99/648637799.db2.gz YOBANTSPKWEQSN-CQSZACIVSA-N 1 2 398.301 2.180 20 0 GEADLO COc1c(Br)ccc(C)c1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000424863837 648654665 /nfs/dbraw/zinc/65/46/65/648654665.db2.gz BCJWOFPHJVKLOL-BETUJISGSA-N 1 2 383.286 2.359 20 0 GEADLO COc1c(Br)ccc(C)c1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000424863837 648654673 /nfs/dbraw/zinc/65/46/73/648654673.db2.gz BCJWOFPHJVKLOL-BETUJISGSA-N 1 2 383.286 2.359 20 0 GEADLO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000425005950 648660674 /nfs/dbraw/zinc/66/06/74/648660674.db2.gz WQIVKPAMWSLKNL-UHFFFAOYSA-N 1 2 383.286 2.201 20 0 GEADLO Cc1cc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc(C)c1Br ZINC000426176046 648705674 /nfs/dbraw/zinc/70/56/74/648705674.db2.gz KVWQPNVNEWGRHG-GFCCVEGCSA-N 1 2 391.269 2.332 20 0 GEADLO Cc1ccc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000427049527 648721080 /nfs/dbraw/zinc/72/10/80/648721080.db2.gz POXSWOGPBJIHLR-NSHDSACASA-N 1 2 377.242 2.024 20 0 GEADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000427054498 648721211 /nfs/dbraw/zinc/72/12/11/648721211.db2.gz YPKGTFJGNWCMLF-LBPRGKRZSA-N 1 2 391.269 2.332 20 0 GEADLO C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ncc(Br)cn1 ZINC000432515051 648777016 /nfs/dbraw/zinc/77/70/16/648777016.db2.gz PUGZXWJMGIGAIV-JTQLQIEISA-N 1 2 375.230 2.447 20 0 GEADLO CC(=O)N[C@@H](CC(=O)NCc1[nH]c[nH+]c1C)c1ccc(Br)cc1 ZINC000443455790 648877205 /nfs/dbraw/zinc/87/72/05/648877205.db2.gz RGKHCJBJRAQTSC-AWEZNQCLSA-N 1 2 379.258 2.364 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccc2OC)cs1 ZINC000548368722 651077757 /nfs/dbraw/zinc/07/77/57/651077757.db2.gz RKUAHINUYSDBLS-UHFFFAOYSA-N 1 2 384.479 2.406 20 0 GEADLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548909283 651089048 /nfs/dbraw/zinc/08/90/48/651089048.db2.gz OJPSGWKSTXIDEM-XHDPSFHLSA-N 1 2 380.901 2.484 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCc3c(Br)ccc(F)c3C2)C1 ZINC000548915017 651089159 /nfs/dbraw/zinc/08/91/59/651089159.db2.gz JVAHQNJDKNVZAQ-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCc3c(Br)ccc(F)c3C2)C1 ZINC000548915017 651089160 /nfs/dbraw/zinc/08/91/60/651089160.db2.gz JVAHQNJDKNVZAQ-LLVKDONJSA-N 1 2 391.306 2.228 20 0 GEADLO O=C(NCCn1cc[nH+]c1)C(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000549214409 651093585 /nfs/dbraw/zinc/09/35/85/651093585.db2.gz SLXGBHFKJLARJT-UHFFFAOYSA-N 1 2 375.841 2.415 20 0 GEADLO CCO[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)[C@@H]1n1cccn1 ZINC000550326224 651109460 /nfs/dbraw/zinc/10/94/60/651109460.db2.gz WCRAQGGWOAZGRV-UXLLHSPISA-N 1 2 383.901 2.448 20 0 GEADLO CCOC1CC(CNC(=O)COc2ccsc2Cl)([NH+]2CCOCC2)C1 ZINC000551283519 651121696 /nfs/dbraw/zinc/12/16/96/651121696.db2.gz PRPPJKIWAAKDBZ-UHFFFAOYSA-N 1 2 388.917 2.166 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2ccc(Br)cc2C1 ZINC000551313974 651122245 /nfs/dbraw/zinc/12/22/45/651122245.db2.gz RRQTUGNHZDSNBT-AWEZNQCLSA-N 1 2 395.345 2.153 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@H]1SCCc3sccc31)C2 ZINC000552007155 651137643 /nfs/dbraw/zinc/13/76/43/651137643.db2.gz LJYHCLFBHIUWLZ-SJCJKPOMSA-N 1 2 377.535 2.249 20 0 GEADLO O=C([C@@H]1CCS(=O)(=O)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000552028415 651138596 /nfs/dbraw/zinc/13/85/96/651138596.db2.gz UJFCVRXAJNJJQY-OAHLLOKOSA-N 1 2 381.885 2.000 20 0 GEADLO O=C(c1cscc1Br)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000552104500 651140466 /nfs/dbraw/zinc/14/04/66/651140466.db2.gz KDVQPNSMCPRTSQ-LBPRGKRZSA-N 1 2 389.315 2.074 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnc(-c3ccsc3)s2)C1 ZINC000552167590 651142175 /nfs/dbraw/zinc/14/21/75/651142175.db2.gz AUYAQQVLGDIIQW-LBPRGKRZSA-N 1 2 379.507 2.486 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cnc(-c3ccsc3)s2)C1 ZINC000552167590 651142184 /nfs/dbraw/zinc/14/21/84/651142184.db2.gz AUYAQQVLGDIIQW-LBPRGKRZSA-N 1 2 379.507 2.486 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)cc(Br)c2)C1 ZINC000552459068 651149873 /nfs/dbraw/zinc/14/98/73/651149873.db2.gz YZARZCYHHJULTR-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)cc(Br)c2)C1 ZINC000552459068 651149875 /nfs/dbraw/zinc/14/98/75/651149875.db2.gz YZARZCYHHJULTR-LLVKDONJSA-N 1 2 387.249 2.203 20 0 GEADLO O=C(c1cnns1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552806004 651158624 /nfs/dbraw/zinc/15/86/24/651158624.db2.gz KPHLUEGNPAFLNT-UHFFFAOYSA-N 1 2 382.243 2.433 20 0 GEADLO CCC[N@H+](Cc1cc(Br)c(OC)s1)[C@H]1CC(=O)N(C)C1=O ZINC000555349271 651223856 /nfs/dbraw/zinc/22/38/56/651223856.db2.gz DSTXHUNTYDLCOH-NSHDSACASA-N 1 2 375.288 2.489 20 0 GEADLO CCC[N@@H+](Cc1cc(Br)c(OC)s1)[C@H]1CC(=O)N(C)C1=O ZINC000555349271 651223857 /nfs/dbraw/zinc/22/38/57/651223857.db2.gz DSTXHUNTYDLCOH-NSHDSACASA-N 1 2 375.288 2.489 20 0 GEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000556135974 651237137 /nfs/dbraw/zinc/23/71/37/651237137.db2.gz WEYGFFVHUPFANX-LLVKDONJSA-N 1 2 381.263 2.359 20 0 GEADLO C[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1(S(C)(=O)=O)CC1 ZINC000556865774 651255556 /nfs/dbraw/zinc/25/55/56/651255556.db2.gz HXVBAPSIDDTBON-GFCCVEGCSA-N 1 2 386.543 2.216 20 0 GEADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000559012373 651289577 /nfs/dbraw/zinc/28/95/77/651289577.db2.gz WKSRBKJRXLBEEX-NSHDSACASA-N 1 2 391.269 2.098 20 0 GEADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000559012373 651289580 /nfs/dbraw/zinc/28/95/80/651289580.db2.gz WKSRBKJRXLBEEX-NSHDSACASA-N 1 2 391.269 2.098 20 0 GEADLO C[C@H]1CN(C(=O)C[NH+]2CCN(c3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000560169600 651304374 /nfs/dbraw/zinc/30/43/74/651304374.db2.gz FJEIIJXVGDMUAA-GJZGRUSLSA-N 1 2 396.329 2.207 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000560303094 651306771 /nfs/dbraw/zinc/30/67/71/651306771.db2.gz RDJBJKALAOPDGV-UHFFFAOYSA-N 1 2 383.279 2.445 20 0 GEADLO CCn1nncc1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000560594163 651312020 /nfs/dbraw/zinc/31/20/20/651312020.db2.gz ZCJHBILPAUGAKR-UHFFFAOYSA-N 1 2 393.245 2.193 20 0 GEADLO COc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1Br ZINC000560746899 651314316 /nfs/dbraw/zinc/31/43/16/651314316.db2.gz RMEZXCVUQJDDFK-JSGCOSHPSA-N 1 2 383.286 2.393 20 0 GEADLO COC(=O)[C@@H]([NH3+])Cc1cn(Cc2nc(-c3ccccc3Cl)cs2)nn1 ZINC000603235219 651472932 /nfs/dbraw/zinc/47/29/32/651472932.db2.gz PPSRPEVPFTXLHK-ZDUSSCGKSA-N 1 2 377.857 2.146 20 0 GEADLO O=C(NCc1cc2c(c(Br)c1)OCO2)[C@H]1CCc2c[nH+]cn2C1 ZINC000561190192 651476498 /nfs/dbraw/zinc/47/64/98/651476498.db2.gz QIEJNCNIGQSZJE-NSHDSACASA-N 1 2 378.226 2.253 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)CCOc1ccccc1I ZINC000562372221 651494313 /nfs/dbraw/zinc/49/43/13/651494313.db2.gz GDRKZLXQSMVODL-UHFFFAOYSA-N 1 2 399.232 2.153 20 0 GEADLO CN(C)C(=O)C[C@H]1CN(C(=O)[C@H]([NH3+])c2cscn2)c2ccc(Cl)cc21 ZINC000644044283 651518452 /nfs/dbraw/zinc/51/84/52/651518452.db2.gz SIMXGTZEANQESH-MGPLVRAMSA-N 1 2 378.885 2.405 20 0 GEADLO O=S(=O)(c1cc(F)ccc1Cl)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563417864 651523775 /nfs/dbraw/zinc/52/37/75/651523775.db2.gz NQOKMGWVERFMQE-AWEZNQCLSA-N 1 2 376.881 2.355 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000563655124 651535360 /nfs/dbraw/zinc/53/53/60/651535360.db2.gz GDIBMKGIUDMALE-AWEZNQCLSA-N 1 2 378.274 2.086 20 0 GEADLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000563655124 651535369 /nfs/dbraw/zinc/53/53/69/651535369.db2.gz GDIBMKGIUDMALE-AWEZNQCLSA-N 1 2 378.274 2.086 20 0 GEADLO CN(C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000564050679 651553060 /nfs/dbraw/zinc/55/30/60/651553060.db2.gz GGTLRAOVTQBZPL-HRCADAONSA-N 1 2 381.929 2.165 20 0 GEADLO CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000564050679 651553064 /nfs/dbraw/zinc/55/30/64/651553064.db2.gz GGTLRAOVTQBZPL-HRCADAONSA-N 1 2 381.929 2.165 20 0 GEADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@]34CCC(=O)N3CCS4)CC2)s1 ZINC000606395440 651553124 /nfs/dbraw/zinc/55/31/24/651553124.db2.gz KZIIHFNBRKPKHQ-GOSISDBHSA-N 1 2 379.551 2.020 20 0 GEADLO O=C(NCc1n[nH]cc1Br)NCc1ccccc1-n1cc[nH+]c1 ZINC000606492600 651556183 /nfs/dbraw/zinc/55/61/83/651556183.db2.gz PKZZSEWCUVJUIL-UHFFFAOYSA-N 1 2 375.230 2.357 20 0 GEADLO O=C(NCc1n[nH]cc1Br)N1CC[NH+](Cc2cccs2)CC1 ZINC000606514451 651557406 /nfs/dbraw/zinc/55/74/06/651557406.db2.gz MXDQOYFRGDKGDH-UHFFFAOYSA-N 1 2 384.303 2.261 20 0 GEADLO O=C(c1n[nH]c2ccc(I)cc21)N1CCn2c[nH+]cc2C1 ZINC000564596653 651569279 /nfs/dbraw/zinc/56/92/79/651569279.db2.gz GUUOSANDGNQVOI-UHFFFAOYSA-N 1 2 393.188 2.020 20 0 GEADLO C[N@H+](Cc1cnn(Cc2ccccc2Cl)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644835973 651571206 /nfs/dbraw/zinc/57/12/06/651571206.db2.gz GZPHIGBZBRGAJE-MRXNPFEDSA-N 1 2 382.917 2.051 20 0 GEADLO C[N@@H+](Cc1cnn(Cc2ccccc2Cl)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644835973 651571209 /nfs/dbraw/zinc/57/12/09/651571209.db2.gz GZPHIGBZBRGAJE-MRXNPFEDSA-N 1 2 382.917 2.051 20 0 GEADLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000607334146 651572904 /nfs/dbraw/zinc/57/29/04/651572904.db2.gz SEXOAFGOEDYSPR-MRXNPFEDSA-N 1 2 381.885 2.490 20 0 GEADLO Brc1ccccc1-n1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)nn1 ZINC000644905423 651576755 /nfs/dbraw/zinc/57/67/55/651576755.db2.gz GLRBUOCFSQENJV-AWEZNQCLSA-N 1 2 388.273 2.458 20 0 GEADLO Brc1ccccc1-n1cc(C[N@H+]2CCC[C@H](n3ccnn3)C2)nn1 ZINC000644905423 651576761 /nfs/dbraw/zinc/57/67/61/651576761.db2.gz GLRBUOCFSQENJV-AWEZNQCLSA-N 1 2 388.273 2.458 20 0 GEADLO O=S(=O)(NCC[NH2+]Cc1cccc(O)c1Cl)c1ccc(F)cc1F ZINC000645178004 651591903 /nfs/dbraw/zinc/59/19/03/651591903.db2.gz BPFPLSHGTHKRHJ-UHFFFAOYSA-N 1 2 376.812 2.392 20 0 GEADLO COc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc(Br)c1OC ZINC000565662957 651597055 /nfs/dbraw/zinc/59/70/55/651597055.db2.gz TXIKNSIUAMUTDX-NSHDSACASA-N 1 2 380.242 2.408 20 0 GEADLO O=S1(=O)CC[C@]2(C1)CN(c1cc[nH+]c3c(Br)cccc13)CCO2 ZINC000645344202 651598067 /nfs/dbraw/zinc/59/80/67/651598067.db2.gz CBPGVUCQVYONDH-MRXNPFEDSA-N 1 2 397.294 2.391 20 0 GEADLO CCOc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1Br ZINC000565774587 651598428 /nfs/dbraw/zinc/59/84/28/651598428.db2.gz GJRYDUFUAMBZCA-CQSZACIVSA-N 1 2 395.294 2.170 20 0 GEADLO CCn1cc(Br)cc1C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000566861394 651615855 /nfs/dbraw/zinc/61/58/55/651615855.db2.gz SBRYEABAGHHIKC-ZDUSSCGKSA-N 1 2 395.301 2.055 20 0 GEADLO CSC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000567643301 651632280 /nfs/dbraw/zinc/63/22/80/651632280.db2.gz QAGZWGCYHTXJHN-HUUCEWRRSA-N 1 2 381.929 2.213 20 0 GEADLO CSC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000567643301 651632283 /nfs/dbraw/zinc/63/22/83/651632283.db2.gz QAGZWGCYHTXJHN-HUUCEWRRSA-N 1 2 381.929 2.213 20 0 GEADLO CNS(=O)(=O)[C@H]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000567682826 651634313 /nfs/dbraw/zinc/63/43/13/651634313.db2.gz YQDURUVXPZFHHX-VIFPVBQESA-N 1 2 388.262 2.264 20 0 GEADLO O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCn2nncc2C1 ZINC000568172629 651654412 /nfs/dbraw/zinc/65/44/12/651654412.db2.gz XPGPGVFDXAEVRF-INIZCTEOSA-N 1 2 390.285 2.220 20 0 GEADLO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000568208683 651656171 /nfs/dbraw/zinc/65/61/71/651656171.db2.gz UFJYVOXAIFJBTJ-AWEZNQCLSA-N 1 2 382.555 2.485 20 0 GEADLO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000568208683 651656175 /nfs/dbraw/zinc/65/61/75/651656175.db2.gz UFJYVOXAIFJBTJ-AWEZNQCLSA-N 1 2 382.555 2.485 20 0 GEADLO O=C(NC[C@@H]1CC1(Cl)Cl)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732443336 651658016 /nfs/dbraw/zinc/65/80/16/651658016.db2.gz WYUVTDOFDFJUEF-HOTGVXAUSA-N 1 2 386.323 2.423 20 0 GEADLO COC(=O)C[N@H+](Cc1cc2c(c(Br)c1)OCO2)C1CCOCC1 ZINC000610371827 651658132 /nfs/dbraw/zinc/65/81/32/651658132.db2.gz JZMKGBNOJADYJK-UHFFFAOYSA-N 1 2 386.242 2.332 20 0 GEADLO COC(=O)C[N@@H+](Cc1cc2c(c(Br)c1)OCO2)C1CCOCC1 ZINC000610371827 651658134 /nfs/dbraw/zinc/65/81/34/651658134.db2.gz JZMKGBNOJADYJK-UHFFFAOYSA-N 1 2 386.242 2.332 20 0 GEADLO CC(C)(CO)[NH+]1CCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000610481245 651663510 /nfs/dbraw/zinc/66/35/10/651663510.db2.gz UJYZBHLJRJNFJW-HSZRJFAPSA-N 1 2 379.353 2.490 20 0 GEADLO C[C@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000568373849 651664231 /nfs/dbraw/zinc/66/42/31/651664231.db2.gz KKSIYLUSFRUXTG-ZDUSSCGKSA-N 1 2 393.285 2.419 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)Cc1cn[nH]c1 ZINC000610662078 651676448 /nfs/dbraw/zinc/67/64/48/651676448.db2.gz AOUFHIPNGWKJOK-JTQLQIEISA-N 1 2 384.221 2.473 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)Cc1cn[nH]c1 ZINC000610662078 651676452 /nfs/dbraw/zinc/67/64/52/651676452.db2.gz AOUFHIPNGWKJOK-JTQLQIEISA-N 1 2 384.221 2.473 20 0 GEADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000610676317 651676914 /nfs/dbraw/zinc/67/69/14/651676914.db2.gz WRHCPIFWJXYEAT-DOMZBBRYSA-N 1 2 398.301 2.447 20 0 GEADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000610676317 651676916 /nfs/dbraw/zinc/67/69/16/651676916.db2.gz WRHCPIFWJXYEAT-DOMZBBRYSA-N 1 2 398.301 2.447 20 0 GEADLO O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000568926959 651689367 /nfs/dbraw/zinc/68/93/67/651689367.db2.gz SHDSDLFSDCJNRY-UHFFFAOYSA-N 1 2 378.885 2.493 20 0 GEADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611018804 651700667 /nfs/dbraw/zinc/70/06/67/651700667.db2.gz JYWBJQUJSQYCQD-ZDUSSCGKSA-N 1 2 383.857 2.349 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)OC)C[C@H]1C ZINC000611083653 651705486 /nfs/dbraw/zinc/70/54/86/651705486.db2.gz RIIVIBOAHLAFCH-GFCCVEGCSA-N 1 2 382.507 2.403 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)OC)C[C@H]1C ZINC000611083653 651705494 /nfs/dbraw/zinc/70/54/94/651705494.db2.gz RIIVIBOAHLAFCH-GFCCVEGCSA-N 1 2 382.507 2.403 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(CN2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000569353916 651708856 /nfs/dbraw/zinc/70/88/56/651708856.db2.gz JUOYIPRRGKVXFW-UHFFFAOYSA-N 1 2 385.580 2.378 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000570102703 651747219 /nfs/dbraw/zinc/74/72/19/651747219.db2.gz SAHWMTCSMVDOIM-AAEUAGOBSA-N 1 2 389.253 2.203 20 0 GEADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613412272 651785875 /nfs/dbraw/zinc/78/58/75/651785875.db2.gz DCJVSOOMMCBBOD-CABCVRRESA-N 1 2 379.258 2.014 20 0 GEADLO COc1c(Br)ccc(F)c1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000648771168 651801092 /nfs/dbraw/zinc/80/10/92/651801092.db2.gz GHTNMIZZVPHDJR-QWRGUYRKSA-N 1 2 389.265 2.436 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)cc2c1OCCO2 ZINC000614177880 651814626 /nfs/dbraw/zinc/81/46/26/651814626.db2.gz HLVVVZFPJHIFCO-LBPRGKRZSA-N 1 2 399.285 2.013 20 0 GEADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)C1 ZINC000649124756 651816585 /nfs/dbraw/zinc/81/65/85/651816585.db2.gz QHHQDEJZNTYZTG-JTQLQIEISA-N 1 2 383.271 2.237 20 0 GEADLO C[N@H+]1CCO[C@H](C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)C1 ZINC000649124756 651816587 /nfs/dbraw/zinc/81/65/87/651816587.db2.gz QHHQDEJZNTYZTG-JTQLQIEISA-N 1 2 383.271 2.237 20 0 GEADLO COC(=O)C(C)(C)CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000571241715 651820044 /nfs/dbraw/zinc/82/00/44/651820044.db2.gz ZJBYYBIKQQNOMA-GJZGRUSLSA-N 1 2 388.917 2.204 20 0 GEADLO COC(=O)C(C)(C)CS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000571241715 651820049 /nfs/dbraw/zinc/82/00/49/651820049.db2.gz ZJBYYBIKQQNOMA-GJZGRUSLSA-N 1 2 388.917 2.204 20 0 GEADLO CS(=O)(=O)N1CCN(CCNc2cc[nH+]c3cc(F)c(Cl)cc23)CC1 ZINC000649252128 651820913 /nfs/dbraw/zinc/82/09/13/651820913.db2.gz LSPUHPHSGZSYEX-UHFFFAOYSA-N 1 2 386.880 2.016 20 0 GEADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc(SCC(F)(F)F)c3)C[C@H]21 ZINC000571305564 651824835 /nfs/dbraw/zinc/82/48/35/651824835.db2.gz VRCDQGSMPDGZBG-OLZOCXBDSA-N 1 2 375.416 2.281 20 0 GEADLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc(SCC(F)(F)F)c3)C[C@H]21 ZINC000571305564 651824839 /nfs/dbraw/zinc/82/48/39/651824839.db2.gz VRCDQGSMPDGZBG-OLZOCXBDSA-N 1 2 375.416 2.281 20 0 GEADLO C[C@H](C(=O)N(CCn1cc[nH+]c1)C1CCSCC1)N(C)CC(F)(F)F ZINC000614672198 651832138 /nfs/dbraw/zinc/83/21/38/651832138.db2.gz PLAMSUCQIQISBV-CYBMUJFWSA-N 1 2 378.464 2.490 20 0 GEADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)cc1F ZINC000614719338 651834518 /nfs/dbraw/zinc/83/45/18/651834518.db2.gz XIGDUXRZEBPXEH-IUODEOHRSA-N 1 2 385.277 2.452 20 0 GEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000649975100 651838464 /nfs/dbraw/zinc/83/84/64/651838464.db2.gz NSUDMSLCZUMHHP-DZGCQCFKSA-N 1 2 397.313 2.494 20 0 GEADLO Cc1ccc(OCc2nc(C[NH2+][C@H]3CCN(S(C)(=O)=O)C3)cs2)cc1 ZINC000572248785 651881219 /nfs/dbraw/zinc/88/12/19/651881219.db2.gz QWOQSKKPDYYUJX-AWEZNQCLSA-N 1 2 381.523 2.154 20 0 GEADLO C[C@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)CCCO1 ZINC000738160448 651883001 /nfs/dbraw/zinc/88/30/01/651883001.db2.gz JJGMFTMDZWLKEX-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO C[C@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)CCCO1 ZINC000738160448 651883004 /nfs/dbraw/zinc/88/30/04/651883004.db2.gz JJGMFTMDZWLKEX-YVEFUNNKSA-N 1 2 396.285 2.284 20 0 GEADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(Br)cc(C)c2C)CC1 ZINC000616254952 651892778 /nfs/dbraw/zinc/89/27/78/651892778.db2.gz QXBZPPZQVADMRE-UHFFFAOYSA-N 1 2 399.329 2.485 20 0 GEADLO Cn1c[nH+]cc1CNS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000572683807 651905041 /nfs/dbraw/zinc/90/50/41/651905041.db2.gz IRYFJCNXQFKYIR-UHFFFAOYSA-N 1 2 382.642 2.454 20 0 GEADLO C[C@H](O)CNc1cc(NCc2cc(Br)cc3c2OCC3)nc[nH+]1 ZINC000572730663 651909355 /nfs/dbraw/zinc/90/93/55/651909355.db2.gz XUKPCRJFNJTHGI-JTQLQIEISA-N 1 2 379.258 2.579 20 0 GEADLO C[C@H](O)CNc1cc(NCc2cc(Br)cc3c2OCC3)[nH+]cn1 ZINC000572730663 651909359 /nfs/dbraw/zinc/90/93/59/651909359.db2.gz XUKPCRJFNJTHGI-JTQLQIEISA-N 1 2 379.258 2.579 20 0 GEADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cccc(Br)c1F)C2 ZINC000572847500 651916543 /nfs/dbraw/zinc/91/65/43/651916543.db2.gz DBWKJRAFQSUVRS-LLVKDONJSA-N 1 2 396.260 2.373 20 0 GEADLO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000572863768 651917889 /nfs/dbraw/zinc/91/78/89/651917889.db2.gz DIIULIXATSPRCX-JTQLQIEISA-N 1 2 377.304 2.121 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2ccc(C)c(Br)c2C)CC1 ZINC000652998546 651931313 /nfs/dbraw/zinc/93/13/13/651931313.db2.gz QTMGOOSLZREMFB-UHFFFAOYSA-N 1 2 399.329 2.487 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000653000928 651932069 /nfs/dbraw/zinc/93/20/69/651932069.db2.gz ZMQVYODGAOKECO-UHFFFAOYSA-N 1 2 385.302 2.178 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000652999707 651932103 /nfs/dbraw/zinc/93/21/03/651932103.db2.gz GZWSVYAELLNIMC-UHFFFAOYSA-N 1 2 399.329 2.189 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000653001955 651932122 /nfs/dbraw/zinc/93/21/22/651932122.db2.gz KOXJZZHNDXIMKE-UHFFFAOYSA-N 1 2 375.296 2.343 20 0 GEADLO CC[C@@H](C[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)OC ZINC000573096182 651934396 /nfs/dbraw/zinc/93/43/96/651934396.db2.gz GNWFVKXDAHDPDL-AWEZNQCLSA-N 1 2 391.331 2.180 20 0 GEADLO C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@]1(C)CCCS1)c1ccccc1Cl ZINC000573393398 651951855 /nfs/dbraw/zinc/95/18/55/651951855.db2.gz YDKXOAXHEFLOJL-QAPCUYQASA-N 1 2 383.945 2.461 20 0 GEADLO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(Br)c(O)c2)CC1 ZINC000654412788 651960432 /nfs/dbraw/zinc/96/04/32/651960432.db2.gz RJCDYRZWCNSLMT-UHFFFAOYSA-N 1 2 384.318 2.301 20 0 GEADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc(Br)c(O)c2)CC1 ZINC000654412788 651960440 /nfs/dbraw/zinc/96/04/40/651960440.db2.gz RJCDYRZWCNSLMT-UHFFFAOYSA-N 1 2 384.318 2.301 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617724053 651966905 /nfs/dbraw/zinc/96/69/05/651966905.db2.gz VCMZXYFCJRMXSH-NEPJUHHUSA-N 1 2 395.301 2.244 20 0 GEADLO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617724053 651966914 /nfs/dbraw/zinc/96/69/14/651966914.db2.gz VCMZXYFCJRMXSH-NEPJUHHUSA-N 1 2 395.301 2.244 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617743933 651969910 /nfs/dbraw/zinc/96/99/10/651969910.db2.gz PWZLTHVJTPDFNS-BFHYXJOUSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617743933 651969919 /nfs/dbraw/zinc/96/99/19/651969919.db2.gz PWZLTHVJTPDFNS-BFHYXJOUSA-N 1 2 385.302 2.442 20 0 GEADLO C[C@H](C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)[NH+]1CCN(C)CC1 ZINC000617775780 651972415 /nfs/dbraw/zinc/97/24/15/651972415.db2.gz VYKVCUYNSWJMRC-CQSZACIVSA-N 1 2 385.339 2.278 20 0 GEADLO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CC1SC(=N)NC1=O ZINC000742599425 651993873 /nfs/dbraw/zinc/99/38/73/651993873.db2.gz UVZYREVYYHEJSP-CQSZACIVSA-N 1 2 378.523 2.039 20 0 GEADLO CN(C[C@@H]1COCCO1)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000618228250 651999083 /nfs/dbraw/zinc/99/90/83/651999083.db2.gz FSIGGEWSSATQBN-IAGOWNOFSA-N 1 2 397.313 2.460 20 0 GEADLO C[C@@H](CNS(=O)(=O)Cc1ccc(F)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655639469 652003170 /nfs/dbraw/zinc/00/31/70/652003170.db2.gz PAKKBDLVZZKGCJ-RWMBFGLXSA-N 1 2 378.897 2.396 20 0 GEADLO C[C@@H](CNS(=O)(=O)Cc1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655639469 652003174 /nfs/dbraw/zinc/00/31/74/652003174.db2.gz PAKKBDLVZZKGCJ-RWMBFGLXSA-N 1 2 378.897 2.396 20 0 GEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C)ccc(Br)c2C)CC1 ZINC000574229983 652009958 /nfs/dbraw/zinc/00/99/58/652009958.db2.gz QGFWZBJQZPTVHB-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C)ccc(Br)c2C)CC1 ZINC000574229983 652009962 /nfs/dbraw/zinc/00/99/62/652009962.db2.gz QGFWZBJQZPTVHB-UHFFFAOYSA-N 1 2 396.329 2.350 20 0 GEADLO CC(C)(C(N)=O)[NH+]1CCN(Cc2cc(Br)cc(F)c2F)CC1 ZINC000574456350 652022770 /nfs/dbraw/zinc/02/27/70/652022770.db2.gz IGONQZWHEAIKAF-UHFFFAOYSA-N 1 2 376.245 2.109 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000574467745 652023859 /nfs/dbraw/zinc/02/38/59/652023859.db2.gz LKOHGVXYXVBDJG-IVMMDQJWSA-N 1 2 382.302 2.325 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000574467745 652023867 /nfs/dbraw/zinc/02/38/67/652023867.db2.gz LKOHGVXYXVBDJG-IVMMDQJWSA-N 1 2 382.302 2.325 20 0 GEADLO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000656254500 652028517 /nfs/dbraw/zinc/02/85/17/652028517.db2.gz HJLALWPWAWJNNA-AWEZNQCLSA-N 1 2 390.285 2.153 20 0 GEADLO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000656254500 652028525 /nfs/dbraw/zinc/02/85/25/652028525.db2.gz HJLALWPWAWJNNA-AWEZNQCLSA-N 1 2 390.285 2.153 20 0 GEADLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cn(-c2ccccc2Br)nn1 ZINC000574637680 652033366 /nfs/dbraw/zinc/03/33/66/652033366.db2.gz CHLBYDCWXSAPPD-WFASDCNBSA-N 1 2 381.274 2.002 20 0 GEADLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cn(-c2ccccc2Br)nn1 ZINC000574637680 652033372 /nfs/dbraw/zinc/03/33/72/652033372.db2.gz CHLBYDCWXSAPPD-WFASDCNBSA-N 1 2 381.274 2.002 20 0 GEADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000574770852 652042241 /nfs/dbraw/zinc/04/22/41/652042241.db2.gz POKLIVABGLXHEN-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000574770852 652042245 /nfs/dbraw/zinc/04/22/45/652042245.db2.gz POKLIVABGLXHEN-LBPRGKRZSA-N 1 2 376.881 2.353 20 0 GEADLO C[C@H](NCc1c(F)ccc(I)c1F)[C@H]1C[N@H+](C)CCO1 ZINC000619427696 652057992 /nfs/dbraw/zinc/05/79/92/652057992.db2.gz AEWQEUCXKWHXDJ-TVQRCGJNSA-N 1 2 396.219 2.378 20 0 GEADLO C[C@H](NCc1c(F)ccc(I)c1F)[C@H]1C[N@@H+](C)CCO1 ZINC000619427696 652057996 /nfs/dbraw/zinc/05/79/96/652057996.db2.gz AEWQEUCXKWHXDJ-TVQRCGJNSA-N 1 2 396.219 2.378 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745085361 652068465 /nfs/dbraw/zinc/06/84/65/652068465.db2.gz MWCKWZJXBOQBID-CYBMUJFWSA-N 1 2 389.315 2.497 20 0 GEADLO CN(Cc1cc(Br)cs1)C(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745085361 652068467 /nfs/dbraw/zinc/06/84/67/652068467.db2.gz MWCKWZJXBOQBID-CYBMUJFWSA-N 1 2 389.315 2.497 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)C[C@@H]1C ZINC000656944032 652070977 /nfs/dbraw/zinc/07/09/77/652070977.db2.gz QKZQKEGSCKCGAT-NSHDSACASA-N 1 2 379.295 2.444 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)C[C@@H]1C ZINC000656944032 652070983 /nfs/dbraw/zinc/07/09/83/652070983.db2.gz QKZQKEGSCKCGAT-NSHDSACASA-N 1 2 379.295 2.444 20 0 GEADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(Br)c2C)C1 ZINC000575789089 652077627 /nfs/dbraw/zinc/07/76/27/652077627.db2.gz SYQLBFVILSAFLJ-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(Br)c2C)C1 ZINC000575789089 652077635 /nfs/dbraw/zinc/07/76/35/652077635.db2.gz SYQLBFVILSAFLJ-ZDUSSCGKSA-N 1 2 383.286 2.372 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000657060927 652097894 /nfs/dbraw/zinc/09/78/94/652097894.db2.gz KAZSKWGQNDJBOV-AWEZNQCLSA-N 1 2 388.555 2.021 20 0 GEADLO CCCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000657060927 652097900 /nfs/dbraw/zinc/09/79/00/652097900.db2.gz KAZSKWGQNDJBOV-AWEZNQCLSA-N 1 2 388.555 2.021 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)sc1Br ZINC000657063433 652098440 /nfs/dbraw/zinc/09/84/40/652098440.db2.gz XOSYWEZJTGCKTC-SECBINFHSA-N 1 2 382.349 2.365 20 0 GEADLO Cc1nc(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)sc1Br ZINC000657063433 652098443 /nfs/dbraw/zinc/09/84/43/652098443.db2.gz XOSYWEZJTGCKTC-SECBINFHSA-N 1 2 382.349 2.365 20 0 GEADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746470786 652109262 /nfs/dbraw/zinc/10/92/62/652109262.db2.gz XMJIJULTIUIPKN-ZJWNCGCPSA-N 1 2 382.917 2.447 20 0 GEADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)/C=C/c2ccccc2Cl)CC1 ZINC000747282884 652155894 /nfs/dbraw/zinc/15/58/94/652155894.db2.gz RIQYGWGDVQFLTJ-GMMCIKNFSA-N 1 2 386.901 2.210 20 0 GEADLO Cc1csc([C@](O)(CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)C(F)(F)F)n1 ZINC000747400925 652161890 /nfs/dbraw/zinc/16/18/90/652161890.db2.gz PTLUZLSRJHTWCG-QMTHXVAHSA-N 1 2 376.404 2.241 20 0 GEADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(Br)c[nH]c1=O ZINC000621580576 652161883 /nfs/dbraw/zinc/16/18/83/652161883.db2.gz JPOIJYBXOPCRGR-UHFFFAOYSA-N 1 2 377.242 2.344 20 0 GEADLO Cc1c(Br)cncc1CNc1ccn(CC[NH+]2CCOCC2)n1 ZINC000657401413 652162966 /nfs/dbraw/zinc/16/29/66/652162966.db2.gz VFVPLSTWIAWKHE-UHFFFAOYSA-N 1 2 380.290 2.293 20 0 GEADLO Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000657530107 652170723 /nfs/dbraw/zinc/17/07/23/652170723.db2.gz FBGSJBZACXLWNE-VIFPVBQESA-N 1 2 383.221 2.237 20 0 GEADLO CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000657603446 652178709 /nfs/dbraw/zinc/17/87/09/652178709.db2.gz MQOQPDAWZQMIPJ-HIFRSBDPSA-N 1 2 392.315 2.140 20 0 GEADLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000577330232 652179392 /nfs/dbraw/zinc/17/93/92/652179392.db2.gz NLNLMKUOBMNOQC-UHFFFAOYSA-N 1 2 389.612 2.230 20 0 GEADLO [NH3+][C@H](C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)c1cscn1 ZINC000577489169 652192285 /nfs/dbraw/zinc/19/22/85/652192285.db2.gz NYIOROQLPSHPDX-YGRLFVJLSA-N 1 2 381.299 2.301 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000748456358 652203620 /nfs/dbraw/zinc/20/36/20/652203620.db2.gz AIDRENKIYPSCJN-NHYWBVRUSA-N 1 2 389.279 2.435 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000748456358 652203628 /nfs/dbraw/zinc/20/36/28/652203628.db2.gz AIDRENKIYPSCJN-NHYWBVRUSA-N 1 2 389.279 2.435 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000748463362 652204139 /nfs/dbraw/zinc/20/41/39/652204139.db2.gz ZWMPFAFJKLCVFC-RISCZKNCSA-N 1 2 385.258 2.040 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000748463362 652204147 /nfs/dbraw/zinc/20/41/47/652204147.db2.gz ZWMPFAFJKLCVFC-RISCZKNCSA-N 1 2 385.258 2.040 20 0 GEADLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc(Br)cnc1OCC1CC1 ZINC000623258323 652229402 /nfs/dbraw/zinc/22/94/02/652229402.db2.gz OWVXBGIRHRSGTI-LBPRGKRZSA-N 1 2 377.242 2.184 20 0 GEADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000623271693 652230067 /nfs/dbraw/zinc/23/00/67/652230067.db2.gz FJJUZRZLKQWHTJ-GFCCVEGCSA-N 1 2 378.885 2.191 20 0 GEADLO CSCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000578159393 652249089 /nfs/dbraw/zinc/24/90/89/652249089.db2.gz DASOXWXSUMQCOB-HZPDHXFCSA-N 1 2 383.945 2.413 20 0 GEADLO CSCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000578159393 652249094 /nfs/dbraw/zinc/24/90/94/652249094.db2.gz DASOXWXSUMQCOB-HZPDHXFCSA-N 1 2 383.945 2.413 20 0 GEADLO C[C@H]1C[C@H](NC(=O)NCCCCn2cc[nH+]c2)c2ccsc2S1(=O)=O ZINC000578270039 652257895 /nfs/dbraw/zinc/25/78/95/652257895.db2.gz VBSMLLBFCPOWKU-JSGCOSHPSA-N 1 2 382.511 2.331 20 0 GEADLO O=S(=O)(C1CCC(C(F)(F)F)CC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000578448127 652273788 /nfs/dbraw/zinc/27/37/88/652273788.db2.gz JAAFIUHSMUJKIV-WLYUNCDWSA-N 1 2 384.464 2.091 20 0 GEADLO Cc1noc(C)c1C[NH+]1CCN(Cn2c(=O)scc2C(F)(F)F)CC1 ZINC000749946675 652274299 /nfs/dbraw/zinc/27/42/99/652274299.db2.gz QMGQURBIIGJFTF-UHFFFAOYSA-N 1 2 376.404 2.309 20 0 GEADLO O=S(=O)(NCC[NH+]1CCSCC1)c1cc2ccc(Cl)nc2cc1F ZINC000750164416 652284367 /nfs/dbraw/zinc/28/43/67/652284367.db2.gz USPANBPFGNEZFW-UHFFFAOYSA-N 1 2 389.905 2.354 20 0 GEADLO CCc1ncsc1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000750202505 652286376 /nfs/dbraw/zinc/28/63/76/652286376.db2.gz STHCZSCERYRXRV-UHFFFAOYSA-N 1 2 379.507 2.268 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)C[C@@H](C)O1 ZINC000578777500 652293796 /nfs/dbraw/zinc/29/37/96/652293796.db2.gz LVGZDYCZBPYJMR-AHEZYBDSSA-N 1 2 398.345 2.451 20 0 GEADLO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)C[C@@H](C)O1 ZINC000578777500 652293800 /nfs/dbraw/zinc/29/38/00/652293800.db2.gz LVGZDYCZBPYJMR-AHEZYBDSSA-N 1 2 398.345 2.451 20 0 GEADLO C[C@H](C(=O)Nc1ccccc1C(=O)NCC(F)(F)F)[NH+]1CCSCC1 ZINC000750829299 652311007 /nfs/dbraw/zinc/31/10/07/652311007.db2.gz NPJNUFAXXYVRFJ-LLVKDONJSA-N 1 2 375.416 2.355 20 0 GEADLO Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000579108205 652317824 /nfs/dbraw/zinc/31/78/24/652317824.db2.gz AGGLXKWMEAHLMS-JTQLQIEISA-N 1 2 383.258 2.281 20 0 GEADLO Cc1ccc(C[N@H+](CCO)Cc2cc(=O)n3cc(Br)ccc3n2)o1 ZINC000579184422 652322497 /nfs/dbraw/zinc/32/24/97/652322497.db2.gz YXHONVXCUFQJKK-UHFFFAOYSA-N 1 2 392.253 2.353 20 0 GEADLO Cc1ccc(C[N@@H+](CCO)Cc2cc(=O)n3cc(Br)ccc3n2)o1 ZINC000579184422 652322503 /nfs/dbraw/zinc/32/25/03/652322503.db2.gz YXHONVXCUFQJKK-UHFFFAOYSA-N 1 2 392.253 2.353 20 0 GEADLO C[C@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)[C@@H]1OCCc2sccc21 ZINC000579189355 652323210 /nfs/dbraw/zinc/32/32/10/652323210.db2.gz DICRUFPSBJYYRF-GTNSWQLSSA-N 1 2 377.491 2.362 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)C[C@H]1C ZINC000625085538 652325984 /nfs/dbraw/zinc/32/59/84/652325984.db2.gz MHKYWIRFHXAIPD-LLVKDONJSA-N 1 2 382.404 2.309 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)C[C@H]1C ZINC000625085538 652325991 /nfs/dbraw/zinc/32/59/91/652325991.db2.gz MHKYWIRFHXAIPD-LLVKDONJSA-N 1 2 382.404 2.309 20 0 GEADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccccc1SC(F)F ZINC000751539897 652359712 /nfs/dbraw/zinc/35/97/12/652359712.db2.gz KOQMLSGTBLYYGL-GFCCVEGCSA-N 1 2 375.441 2.158 20 0 GEADLO Cc1nc2ccc(S(=O)(=O)N3CCC([NH+]4CCOCC4)CC3)cc2s1 ZINC000625605961 652361034 /nfs/dbraw/zinc/36/10/34/652361034.db2.gz GVJVCGWPTYBCPE-UHFFFAOYSA-N 1 2 381.523 2.090 20 0 GEADLO COc1cc(C)c(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)cc1Cl ZINC000625607171 652361039 /nfs/dbraw/zinc/36/10/39/652361039.db2.gz PBZUHQUARVKBCS-UHFFFAOYSA-N 1 2 388.917 2.142 20 0 GEADLO Nc1nc(NC[C@H](CO)Cc2ccc(Br)cc2)[nH+]c2ccccc12 ZINC000580060780 652365280 /nfs/dbraw/zinc/36/52/80/652365280.db2.gz ROSWXGLMXJCTBP-CYBMUJFWSA-N 1 2 387.281 2.660 20 0 GEADLO NC(=O)c1cn(C2CC[NH+](Cc3cc(Br)ccc3F)CC2)nn1 ZINC000625806858 652372142 /nfs/dbraw/zinc/37/21/42/652372142.db2.gz JZQBFSGMIPNJBI-UHFFFAOYSA-N 1 2 382.237 2.116 20 0 GEADLO Cn1cc(C[NH+]2CCN(C[C@H](O)c3ccccc3Br)CC2)cn1 ZINC000751978423 652374601 /nfs/dbraw/zinc/37/46/01/652374601.db2.gz FBHOFKJRWFVLTG-KRWDZBQOSA-N 1 2 379.302 2.034 20 0 GEADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000580326014 652376268 /nfs/dbraw/zinc/37/62/68/652376268.db2.gz GXLPDJBTPCYAQY-GFCCVEGCSA-N 1 2 385.686 2.425 20 0 GEADLO Cc1cc(C)c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C)c1Br ZINC000626026804 652379886 /nfs/dbraw/zinc/37/98/86/652379886.db2.gz ZRJJDONNYJGIRF-OAHLLOKOSA-N 1 2 399.329 2.139 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1 ZINC000580524440 652381712 /nfs/dbraw/zinc/38/17/12/652381712.db2.gz LAPIMNCJISKKJC-UHFFFAOYSA-N 1 2 383.283 2.196 20 0 GEADLO O=S(=O)(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(Br)cn1 ZINC000660133241 652389320 /nfs/dbraw/zinc/38/93/20/652389320.db2.gz XZJCVGOIIYPVOM-OAHLLOKOSA-N 1 2 396.310 2.397 20 0 GEADLO O=S(=O)(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc(Br)cn1 ZINC000660133241 652389323 /nfs/dbraw/zinc/38/93/23/652389323.db2.gz XZJCVGOIIYPVOM-OAHLLOKOSA-N 1 2 396.310 2.397 20 0 GEADLO C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@H](O)c1c(Cl)cccc1Cl ZINC000752949395 652396731 /nfs/dbraw/zinc/39/67/31/652396731.db2.gz GGMCZLZLMBKZNA-MKBNYLNASA-N 1 2 390.311 2.435 20 0 GEADLO C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@H](O)c1c(Cl)cccc1Cl ZINC000752949395 652396733 /nfs/dbraw/zinc/39/67/33/652396733.db2.gz GGMCZLZLMBKZNA-MKBNYLNASA-N 1 2 390.311 2.435 20 0 GEADLO O=C(NC[C@@H](CO)Cc1cccc(Br)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000580958121 652398323 /nfs/dbraw/zinc/39/83/23/652398323.db2.gz WJMGEFPPQZCWMH-GJZGRUSLSA-N 1 2 392.297 2.175 20 0 GEADLO COc1ccc(Br)c(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000660359621 652399573 /nfs/dbraw/zinc/39/95/73/652399573.db2.gz QTPKOTFVWAEEDM-AWEZNQCLSA-N 1 2 398.301 2.074 20 0 GEADLO O=C(NCCOc1cccc(Cl)c1Cl)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660456057 652402689 /nfs/dbraw/zinc/40/26/89/652402689.db2.gz DVFBPPWFJXSCOC-CYBMUJFWSA-N 1 2 388.295 2.488 20 0 GEADLO CCN1CC[C@H]([NH+]2CCN(Cc3cc(Br)ccc3F)CC2)C1=O ZINC000660464396 652403235 /nfs/dbraw/zinc/40/32/35/652403235.db2.gz AEFXFKOVAKFSKN-INIZCTEOSA-N 1 2 384.293 2.327 20 0 GEADLO CCN1OC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)C1=O ZINC000660597059 652407859 /nfs/dbraw/zinc/40/78/59/652407859.db2.gz QIWUKRPARWLFMF-RISCZKNCSA-N 1 2 387.274 2.023 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000581579827 652417325 /nfs/dbraw/zinc/41/73/25/652417325.db2.gz SDAMQROHNCRQQR-AWEZNQCLSA-N 1 2 388.265 2.378 20 0 GEADLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1c(Cl)nc2sccn21 ZINC000753847034 652418708 /nfs/dbraw/zinc/41/87/08/652418708.db2.gz WRWFPVCARPPBLN-JTQLQIEISA-N 1 2 383.886 2.001 20 0 GEADLO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661087718 652418957 /nfs/dbraw/zinc/41/89/57/652418957.db2.gz LINCNWPXMZFCNH-IXDOHACOSA-N 1 2 394.313 2.421 20 0 GEADLO C[C@H]1COCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753984947 652422191 /nfs/dbraw/zinc/42/21/91/652422191.db2.gz GYDHMHTZKZKRLU-SJKOYZFVSA-N 1 2 396.285 2.142 20 0 GEADLO C[C@H]1COCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000753984947 652422194 /nfs/dbraw/zinc/42/21/94/652422194.db2.gz GYDHMHTZKZKRLU-SJKOYZFVSA-N 1 2 396.285 2.142 20 0 GEADLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)C2COC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581702547 652422371 /nfs/dbraw/zinc/42/23/71/652422371.db2.gz SCWKNUYXOZCMGA-HOTGVXAUSA-N 1 2 376.881 2.321 20 0 GEADLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)C2COC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581702547 652422376 /nfs/dbraw/zinc/42/23/76/652422376.db2.gz SCWKNUYXOZCMGA-HOTGVXAUSA-N 1 2 376.881 2.321 20 0 GEADLO Cc1ccc(Br)c(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000661321399 652427535 /nfs/dbraw/zinc/42/75/35/652427535.db2.gz LUCJQUPYDPNJEL-OAHLLOKOSA-N 1 2 382.302 2.374 20 0 GEADLO Cc1ccc(Br)c(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000661321398 652427638 /nfs/dbraw/zinc/42/76/38/652427638.db2.gz LUCJQUPYDPNJEL-HNNXBMFYSA-N 1 2 382.302 2.374 20 0 GEADLO O=S1(=O)CCCN1CC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376309 652429585 /nfs/dbraw/zinc/42/95/85/652429585.db2.gz ASIWMKQKYULIJW-UHFFFAOYSA-N 1 2 378.325 2.151 20 0 GEADLO Cn1c[nH+]cc1COC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000754684154 652442622 /nfs/dbraw/zinc/44/26/22/652442622.db2.gz HCRTYVKBNBEFAO-NSHDSACASA-N 1 2 378.226 2.279 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000662013793 652444801 /nfs/dbraw/zinc/44/48/01/652444801.db2.gz LTWSACWJKSCWMN-CQSZACIVSA-N 1 2 383.290 2.075 20 0 GEADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000662013793 652444807 /nfs/dbraw/zinc/44/48/07/652444807.db2.gz LTWSACWJKSCWMN-CQSZACIVSA-N 1 2 383.290 2.075 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)s1 ZINC000582483182 652452298 /nfs/dbraw/zinc/45/22/98/652452298.db2.gz OQOZKFVJSYZTHL-UHFFFAOYSA-N 1 2 382.507 2.402 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)s1 ZINC000582483182 652452301 /nfs/dbraw/zinc/45/23/01/652452301.db2.gz OQOZKFVJSYZTHL-UHFFFAOYSA-N 1 2 382.507 2.402 20 0 GEADLO C[C@H]1CC[NH2+][C@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000582540509 652454641 /nfs/dbraw/zinc/45/46/41/652454641.db2.gz PKHLBPHGAHFTAI-FZMZJTMJSA-N 1 2 380.495 2.271 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N(CCO)Cc1ccc(Br)s1 ZINC000582581004 652456149 /nfs/dbraw/zinc/45/61/49/652456149.db2.gz BNFXYFLMEKTUIN-NSHDSACASA-N 1 2 399.314 2.226 20 0 GEADLO C[N@H+](Cc1cccc(F)c1OCC(F)(F)F)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000628291254 652456905 /nfs/dbraw/zinc/45/69/05/652456905.db2.gz UHEPKOHPZBSBTQ-LBPRGKRZSA-N 1 2 384.395 2.233 20 0 GEADLO C[N@@H+](Cc1cccc(F)c1OCC(F)(F)F)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000628291254 652456907 /nfs/dbraw/zinc/45/69/07/652456907.db2.gz UHEPKOHPZBSBTQ-LBPRGKRZSA-N 1 2 384.395 2.233 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2OC)C1 ZINC000628495857 652459589 /nfs/dbraw/zinc/45/95/89/652459589.db2.gz BTRCIMFVOHOTRW-GFCCVEGCSA-N 1 2 391.331 2.219 20 0 GEADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2OC)C1 ZINC000628495857 652459592 /nfs/dbraw/zinc/45/95/92/652459592.db2.gz BTRCIMFVOHOTRW-GFCCVEGCSA-N 1 2 391.331 2.219 20 0 GEADLO CCOC(=O)c1cnn(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000755276279 652461660 /nfs/dbraw/zinc/46/16/60/652461660.db2.gz LUQGJKJFTJSVCH-UHFFFAOYSA-N 1 2 382.262 2.313 20 0 GEADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000628573008 652463208 /nfs/dbraw/zinc/46/32/08/652463208.db2.gz AJIJIEHLTWZXAE-SFHVURJKSA-N 1 2 387.307 2.268 20 0 GEADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000628573008 652463213 /nfs/dbraw/zinc/46/32/13/652463213.db2.gz AJIJIEHLTWZXAE-SFHVURJKSA-N 1 2 387.307 2.268 20 0 GEADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCSC2)[C@H]1c1ccc(Cl)cc1 ZINC000582926275 652467500 /nfs/dbraw/zinc/46/75/00/652467500.db2.gz JJKRSHLJMJEOCG-UHOFOFEASA-N 1 2 381.929 2.071 20 0 GEADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCSC2)[C@H]1c1ccc(Cl)cc1 ZINC000582926275 652467502 /nfs/dbraw/zinc/46/75/02/652467502.db2.gz JJKRSHLJMJEOCG-UHOFOFEASA-N 1 2 381.929 2.071 20 0 GEADLO Cc1ncc(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)n1C ZINC000629350087 652492571 /nfs/dbraw/zinc/49/25/71/652492571.db2.gz FUOJYPGRRQFQLH-UHFFFAOYSA-N 1 2 380.539 2.387 20 0 GEADLO C[C@@H]1CC[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CS1(=O)=O ZINC000663450684 652501026 /nfs/dbraw/zinc/50/10/26/652501026.db2.gz LICYBQIMRBCMBT-RBSFLKMASA-N 1 2 385.555 2.150 20 0 GEADLO CN(Cc1ccc(Br)cc1Cl)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000583920213 652502793 /nfs/dbraw/zinc/50/27/93/652502793.db2.gz PJYJYZWDEXVCEL-UHFFFAOYSA-N 1 2 399.676 2.074 20 0 GEADLO O=S(=O)(NC1CC[NH+](Cc2cnc(C3CC3)nc2)CC1)c1cccs1 ZINC000584038730 652506883 /nfs/dbraw/zinc/50/68/83/652506883.db2.gz DEASHYVBZPNMNL-UHFFFAOYSA-N 1 2 378.523 2.358 20 0 GEADLO C[N@H+](CCOc1ccc(Br)cc1)CN1C[C@]2(CCOC2)CC1=O ZINC000756846552 652507282 /nfs/dbraw/zinc/50/72/82/652507282.db2.gz ICOBNJXCPPLJNA-KRWDZBQOSA-N 1 2 383.286 2.356 20 0 GEADLO C[N@@H+](CCOc1ccc(Br)cc1)CN1C[C@]2(CCOC2)CC1=O ZINC000756846552 652507284 /nfs/dbraw/zinc/50/72/84/652507284.db2.gz ICOBNJXCPPLJNA-KRWDZBQOSA-N 1 2 383.286 2.356 20 0 GEADLO Cc1nc(N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c(Br)c(C)[nH+]1 ZINC000663672895 652508032 /nfs/dbraw/zinc/50/80/32/652508032.db2.gz DIZPLZZXLSFORI-QPUJVOFHSA-N 1 2 379.262 2.195 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1ccc(Br)s1 ZINC000663693203 652509046 /nfs/dbraw/zinc/50/90/46/652509046.db2.gz LYPPSIQQYYBLRB-MNOVXSKESA-N 1 2 376.320 2.419 20 0 GEADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1ccc(Br)s1 ZINC000663693203 652509050 /nfs/dbraw/zinc/50/90/50/652509050.db2.gz LYPPSIQQYYBLRB-MNOVXSKESA-N 1 2 376.320 2.419 20 0 GEADLO Cc1c(Br)ccnc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000584161803 652511917 /nfs/dbraw/zinc/51/19/17/652511917.db2.gz XWDREONFYACTDM-CYBMUJFWSA-N 1 2 383.290 2.481 20 0 GEADLO Cc1nc(NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Br)c(C)[nH+]1 ZINC000663905639 652515895 /nfs/dbraw/zinc/51/58/95/652515895.db2.gz ISJABJAKUNJTAJ-RYUDHWBXSA-N 1 2 391.335 2.376 20 0 GEADLO O=C(c1cccnc1I)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000758062551 652529913 /nfs/dbraw/zinc/52/99/13/652529913.db2.gz KKKREMJPUUVWDL-NSHDSACASA-N 1 2 382.205 2.360 20 0 GEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC1 ZINC000664585822 652530803 /nfs/dbraw/zinc/53/08/03/652530803.db2.gz CEFXRKIEHCGVCE-UHFFFAOYSA-N 1 2 379.766 2.341 20 0 GEADLO O=S(=O)(Cc1ncsc1Br)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000631898003 652538858 /nfs/dbraw/zinc/53/88/58/652538858.db2.gz XAEWAFLPCYLZKZ-JTQLQIEISA-N 1 2 391.316 2.269 20 0 GEADLO CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000586805148 652541922 /nfs/dbraw/zinc/54/19/22/652541922.db2.gz COGZRGXDSNCMKW-OAHLLOKOSA-N 1 2 382.873 2.278 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000758663801 652551043 /nfs/dbraw/zinc/55/10/43/652551043.db2.gz ZNLZNKSWFAGLMU-BLLLJJGKSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000758663801 652551046 /nfs/dbraw/zinc/55/10/46/652551046.db2.gz ZNLZNKSWFAGLMU-BLLLJJGKSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@H]1CN(c2[nH+]ccc3cc(Br)ccc32)CCN1S(C)(=O)=O ZINC000665710479 652558111 /nfs/dbraw/zinc/55/81/11/652558111.db2.gz OFWIBDFJDPBPTK-NSHDSACASA-N 1 2 384.299 2.467 20 0 GEADLO COC(=O)c1nn(CN2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1Br ZINC000759157568 652565274 /nfs/dbraw/zinc/56/52/74/652565274.db2.gz KVFNEYPXERSJGL-AAEUAGOBSA-N 1 2 396.289 2.478 20 0 GEADLO CC(C)[N@@H+](C/C(Cl)=C\Cl)C[C@H](O)COc1ccc(CC(N)=O)cc1 ZINC000759279424 652567916 /nfs/dbraw/zinc/56/79/16/652567916.db2.gz SFAWSLYQGUHWHM-NHXNDTTKSA-N 1 2 375.296 2.484 20 0 GEADLO CC(C)[N@H+](C/C(Cl)=C\Cl)C[C@H](O)COc1ccc(CC(N)=O)cc1 ZINC000759279424 652567919 /nfs/dbraw/zinc/56/79/19/652567919.db2.gz SFAWSLYQGUHWHM-NHXNDTTKSA-N 1 2 375.296 2.484 20 0 GEADLO CCOC(=O)c1cc(CC)sc1NC(=O)CSCC[NH+]1CCOCC1 ZINC000590098497 652574596 /nfs/dbraw/zinc/57/45/96/652574596.db2.gz MMRVKPLYENSBOB-UHFFFAOYSA-N 1 2 386.539 2.491 20 0 GEADLO COC(=O)[C@@]1(C)CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000759754792 652585378 /nfs/dbraw/zinc/58/53/78/652585378.db2.gz JGFRKJJDKFQMMT-HOTGVXAUSA-N 1 2 385.873 2.011 20 0 GEADLO COC(=O)[C@@]1(C)CC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)C1 ZINC000759754792 652585382 /nfs/dbraw/zinc/58/53/82/652585382.db2.gz JGFRKJJDKFQMMT-HOTGVXAUSA-N 1 2 385.873 2.011 20 0 GEADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000633320531 652593382 /nfs/dbraw/zinc/59/33/82/652593382.db2.gz LDRUMRXAZGSHQD-KVDVXYDOSA-N 1 2 391.309 2.314 20 0 GEADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000633320531 652593387 /nfs/dbraw/zinc/59/33/87/652593387.db2.gz LDRUMRXAZGSHQD-KVDVXYDOSA-N 1 2 391.309 2.314 20 0 GEADLO Cc1cnn(CC[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000592419304 652594444 /nfs/dbraw/zinc/59/44/44/652594444.db2.gz SPGMVQFMJPCABT-UHFFFAOYSA-N 1 2 388.946 2.303 20 0 GEADLO Cc1cnn(CC[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000592419304 652594448 /nfs/dbraw/zinc/59/44/48/652594448.db2.gz SPGMVQFMJPCABT-UHFFFAOYSA-N 1 2 388.946 2.303 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000592532694 652598970 /nfs/dbraw/zinc/59/89/70/652598970.db2.gz OTRDFPSFBGGCNK-OCCSQVGLSA-N 1 2 394.269 2.195 20 0 GEADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000592532694 652598976 /nfs/dbraw/zinc/59/89/76/652598976.db2.gz OTRDFPSFBGGCNK-OCCSQVGLSA-N 1 2 394.269 2.195 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000592532693 652599101 /nfs/dbraw/zinc/59/91/01/652599101.db2.gz OTRDFPSFBGGCNK-JSGCOSHPSA-N 1 2 394.269 2.195 20 0 GEADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000592532693 652599106 /nfs/dbraw/zinc/59/91/06/652599106.db2.gz OTRDFPSFBGGCNK-JSGCOSHPSA-N 1 2 394.269 2.195 20 0 GEADLO C[NH+](C)C[C@H](NC(=O)CC1CS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000633686218 652606995 /nfs/dbraw/zinc/60/69/95/652606995.db2.gz ICVXLDAWDPYDHL-AWEZNQCLSA-N 1 2 379.309 2.147 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)c2cc(Br)cc(N3CCCC3)c2)CCO1 ZINC000667815302 652620498 /nfs/dbraw/zinc/62/04/98/652620498.db2.gz OQLRWEONCOHSLE-AWEZNQCLSA-N 1 2 396.329 2.500 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc(N3CCCC3)c2)CCO1 ZINC000667815302 652620501 /nfs/dbraw/zinc/62/05/01/652620501.db2.gz OQLRWEONCOHSLE-AWEZNQCLSA-N 1 2 396.329 2.500 20 0 GEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(F)c(Br)c1F ZINC000668045605 652627737 /nfs/dbraw/zinc/62/77/37/652627737.db2.gz VOORDYNTTQRUMG-JTQLQIEISA-N 1 2 391.260 2.485 20 0 GEADLO O[C@@H](C[N@@H+]1CCc2sc(Br)cc2C1)CC1(O)CCOCC1 ZINC000634646378 652646852 /nfs/dbraw/zinc/64/68/52/652646852.db2.gz CNRXEFOEJKZMRW-GFCCVEGCSA-N 1 2 376.316 2.161 20 0 GEADLO O[C@@H](C[N@H+]1CCc2sc(Br)cc2C1)CC1(O)CCOCC1 ZINC000634646378 652646854 /nfs/dbraw/zinc/64/68/54/652646854.db2.gz CNRXEFOEJKZMRW-GFCCVEGCSA-N 1 2 376.316 2.161 20 0 GEADLO CCOCC[NH+]1CCN(C(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC000668558078 652647798 /nfs/dbraw/zinc/64/77/98/652647798.db2.gz VCCZEVFFLVBEBN-UHFFFAOYSA-N 1 2 387.322 2.195 20 0 GEADLO Cc1c(Br)cncc1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000668564163 652648293 /nfs/dbraw/zinc/64/82/93/652648293.db2.gz FZWROCZFQQHBGQ-CQSZACIVSA-N 1 2 382.302 2.479 20 0 GEADLO O=S(=O)(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(Cl)ccc1OC(F)F ZINC000634661638 652652566 /nfs/dbraw/zinc/65/25/66/652652566.db2.gz XVGUPLQWOIMZDN-SNVBAGLBSA-N 1 2 377.800 2.431 20 0 GEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000761690168 652654308 /nfs/dbraw/zinc/65/43/08/652654308.db2.gz YTGUWRDOWGOGQY-GFCCVEGCSA-N 1 2 397.273 2.200 20 0 GEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000761690169 652654569 /nfs/dbraw/zinc/65/45/69/652654569.db2.gz YTGUWRDOWGOGQY-LBPRGKRZSA-N 1 2 397.273 2.200 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3cnc(-c4ccc(C)cc4)s3)C[C@H]21 ZINC000668632894 652654542 /nfs/dbraw/zinc/65/45/42/652654542.db2.gz CPHAAEFBBGIQEK-BBWFWOEESA-N 1 2 378.519 2.362 20 0 GEADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3cnc(-c4ccc(C)cc4)s3)C[C@H]21 ZINC000668632894 652654553 /nfs/dbraw/zinc/65/45/53/652654553.db2.gz CPHAAEFBBGIQEK-BBWFWOEESA-N 1 2 378.519 2.362 20 0 GEADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)C[C@@H]1C ZINC000594464921 652658528 /nfs/dbraw/zinc/65/85/28/652658528.db2.gz BNXOWTJAHVWPCK-QWRGUYRKSA-N 1 2 392.880 2.369 20 0 GEADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)C[C@@H]1C ZINC000594464921 652658535 /nfs/dbraw/zinc/65/85/35/652658535.db2.gz BNXOWTJAHVWPCK-QWRGUYRKSA-N 1 2 392.880 2.369 20 0 GEADLO Cc1cccn2cc(Cc3noc(CS[C@H]4CCS(=O)(=O)C4)n3)[nH+]c12 ZINC000761891770 652660309 /nfs/dbraw/zinc/66/03/09/652660309.db2.gz SMWAILGIKIEUGQ-ZDUSSCGKSA-N 1 2 378.479 2.037 20 0 GEADLO Cc1sccc1NC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000635348659 652721784 /nfs/dbraw/zinc/72/17/84/652721784.db2.gz JZMAIUXZQQQDHC-UHFFFAOYSA-N 1 2 376.507 2.260 20 0 GEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCc1ccc(I)cc1 ZINC000595466735 652728947 /nfs/dbraw/zinc/72/89/47/652728947.db2.gz RTYCCKWSGFXPMJ-GFCCVEGCSA-N 1 2 398.248 2.418 20 0 GEADLO Cc1cc(I)ccc1NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000595494186 652730842 /nfs/dbraw/zinc/73/08/42/652730842.db2.gz KNEYZGUCSBKDBX-UHFFFAOYSA-N 1 2 396.232 2.250 20 0 GEADLO CCCN(C)C(=O)[C@@H]1CSCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635462900 652732089 /nfs/dbraw/zinc/73/20/89/652732089.db2.gz YODVVQRIPFVQNP-RYUDHWBXSA-N 1 2 378.420 2.147 20 0 GEADLO O=C(OCCn1cc[nH+]c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000763113249 652738584 /nfs/dbraw/zinc/73/85/84/652738584.db2.gz XBXWFMCDXIQQQF-UHFFFAOYSA-N 1 2 383.857 2.178 20 0 GEADLO NC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1cccc(Br)c1 ZINC000763369771 652753611 /nfs/dbraw/zinc/75/36/11/652753611.db2.gz XFPMHASEDLRWPK-HNNXBMFYSA-N 1 2 398.207 2.482 20 0 GEADLO O=C(NC[C@H](CO)Cc1cc(Br)ccc1F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635995212 652772102 /nfs/dbraw/zinc/77/21/02/652772102.db2.gz JUXBMVAHYQBCJT-LERXQTSPSA-N 1 2 396.260 2.382 20 0 GEADLO O=C(NC[C@H](CO)Cc1cc(Br)ccc1F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635995212 652772107 /nfs/dbraw/zinc/77/21/07/652772107.db2.gz JUXBMVAHYQBCJT-LERXQTSPSA-N 1 2 396.260 2.382 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)COc3ccsc3Cl)cc2C1 ZINC000671224867 652788481 /nfs/dbraw/zinc/78/84/81/652788481.db2.gz DLBOJCNQYZQHOR-UHFFFAOYSA-N 1 2 379.869 2.262 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)COc3ccsc3Cl)cc2C1 ZINC000671224867 652788488 /nfs/dbraw/zinc/78/84/88/652788488.db2.gz DLBOJCNQYZQHOR-UHFFFAOYSA-N 1 2 379.869 2.262 20 0 GEADLO O=C(c1ncccc1Br)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636294572 652794740 /nfs/dbraw/zinc/79/47/40/652794740.db2.gz FAASBMXIAPCKIN-UHFFFAOYSA-N 1 2 375.270 2.240 20 0 GEADLO COc1cccc(OCC[NH+]2CCN(C(=S)NCC(F)(F)F)CC2)c1 ZINC000764501466 652802740 /nfs/dbraw/zinc/80/27/40/652802740.db2.gz BJCMGTGGSWNVLB-UHFFFAOYSA-N 1 2 377.432 2.128 20 0 GEADLO COC(=O)[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1Br ZINC000598188737 652804241 /nfs/dbraw/zinc/80/42/41/652804241.db2.gz ZGQVWLNXSRVMJM-IAQYHMDHSA-N 1 2 392.253 2.239 20 0 GEADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cn2cc(Br)ccc2n1 ZINC000671719740 652811111 /nfs/dbraw/zinc/81/11/11/652811111.db2.gz ASMUUJDWDGLZAB-XJKSGUPXSA-N 1 2 379.302 2.392 20 0 GEADLO O=C(NCCc1ccc(I)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000598393770 652813999 /nfs/dbraw/zinc/81/39/99/652813999.db2.gz RDYKVXBXZRBBHT-ZDUSSCGKSA-N 1 2 395.244 2.409 20 0 GEADLO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636726383 652819073 /nfs/dbraw/zinc/81/90/73/652819073.db2.gz XRHYIPYLBCCJAH-KBPBESRZSA-N 1 2 390.285 2.148 20 0 GEADLO COC(=O)c1sc2c(c1Br)CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC000598545427 652821147 /nfs/dbraw/zinc/82/11/47/652821147.db2.gz RYSWQGQJSQAVTR-UHFFFAOYSA-N 1 2 384.255 2.495 20 0 GEADLO CCC(=O)N[C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000672113238 652827340 /nfs/dbraw/zinc/82/73/40/652827340.db2.gz UISWAEXFZVOMAZ-LBPRGKRZSA-N 1 2 397.273 2.182 20 0 GEADLO O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672148551 652828208 /nfs/dbraw/zinc/82/82/08/652828208.db2.gz RBDAYUYGQUYGKG-ABAIWWIYSA-N 1 2 376.869 2.471 20 0 GEADLO C[C@@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)Oc1ccccc1Br ZINC000636891041 652828292 /nfs/dbraw/zinc/82/82/92/652828292.db2.gz YXLBAOUUMMKQPF-RYUDHWBXSA-N 1 2 379.258 2.337 20 0 GEADLO CC(C)(CO)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)CC1 ZINC000672217114 652831025 /nfs/dbraw/zinc/83/10/25/652831025.db2.gz VXIRUMNBYUSDJN-UHFFFAOYSA-N 1 2 380.432 2.002 20 0 GEADLO C[C@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000636975299 652833013 /nfs/dbraw/zinc/83/30/13/652833013.db2.gz GIJFKNIHAWPRAV-QMTHXVAHSA-N 1 2 396.340 2.328 20 0 GEADLO Cc1cc(C)c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1I ZINC000598948782 652842163 /nfs/dbraw/zinc/84/21/63/652842163.db2.gz UQSIULPFJACRHW-NSHDSACASA-N 1 2 381.217 2.459 20 0 GEADLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(F)ccc1I ZINC000598948097 652842217 /nfs/dbraw/zinc/84/22/17/652842217.db2.gz OVGOFTDMFLFTIO-SNVBAGLBSA-N 1 2 385.180 2.372 20 0 GEADLO CC1(C)CN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC[N@@H+]1CCO ZINC000672880757 652848776 /nfs/dbraw/zinc/84/87/76/652848776.db2.gz RNLXNNBCAJZHHV-UHFFFAOYSA-N 1 2 398.859 2.019 20 0 GEADLO CC1(C)CN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC[N@H+]1CCO ZINC000672880757 652848782 /nfs/dbraw/zinc/84/87/82/652848782.db2.gz RNLXNNBCAJZHHV-UHFFFAOYSA-N 1 2 398.859 2.019 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)NCc1cc(F)c(Br)cc1F ZINC000637422969 652858818 /nfs/dbraw/zinc/85/88/18/652858818.db2.gz LGBUNVBCAXMXSA-UHFFFAOYSA-N 1 2 392.244 2.201 20 0 GEADLO CCCN1C(=O)C(=O)N(C[N@H+](C)Cc2ccc(Br)cc2C)C1=O ZINC000766088193 652865947 /nfs/dbraw/zinc/86/59/47/652865947.db2.gz HIVSPZLWVDDJBT-UHFFFAOYSA-N 1 2 382.258 2.348 20 0 GEADLO CCCN1C(=O)C(=O)N(C[N@@H+](C)Cc2ccc(Br)cc2C)C1=O ZINC000766088193 652865950 /nfs/dbraw/zinc/86/59/50/652865950.db2.gz HIVSPZLWVDDJBT-UHFFFAOYSA-N 1 2 382.258 2.348 20 0 GEADLO COC(=O)C[C@@H]1CCC[N@@H+]1CN1C(=O)c2ccc(Br)cc2C1=O ZINC000766097322 652867181 /nfs/dbraw/zinc/86/71/81/652867181.db2.gz UTCSDRBBWPGVOL-NSHDSACASA-N 1 2 381.226 2.030 20 0 GEADLO COC(=O)C[C@@H]1CCC[N@H+]1CN1C(=O)c2ccc(Br)cc2C1=O ZINC000766097322 652867188 /nfs/dbraw/zinc/86/71/88/652867188.db2.gz UTCSDRBBWPGVOL-NSHDSACASA-N 1 2 381.226 2.030 20 0 GEADLO C[C@@H](C(=O)Nc1ccc(I)cc1)N1CCc2[nH+]c[nH]c2C1 ZINC000599425007 652870548 /nfs/dbraw/zinc/87/05/48/652870548.db2.gz ZBSXOVVYVQEGJS-JTQLQIEISA-N 1 2 396.232 2.400 20 0 GEADLO Cn1ccnc1[C@H](C1CC1)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000637883555 652876608 /nfs/dbraw/zinc/87/66/08/652876608.db2.gz PFJZAWRVQTZOMD-INIZCTEOSA-N 1 2 380.539 2.376 20 0 GEADLO Brc1cnc2c(CN3CC[NH+](Cc4ccccn4)CC3)cnn2c1 ZINC000637879800 652876719 /nfs/dbraw/zinc/87/67/19/652876719.db2.gz XYEQBVXZTMDNRM-UHFFFAOYSA-N 1 2 387.285 2.205 20 0 GEADLO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1c[nH]c2ncc(Br)cc12 ZINC000599634950 652881509 /nfs/dbraw/zinc/88/15/09/652881509.db2.gz HDCVBWKLCOKEKZ-WCBZVUCDSA-N 1 2 396.310 2.494 20 0 GEADLO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1c[nH]c2ncc(Br)cc12 ZINC000599634950 652881514 /nfs/dbraw/zinc/88/15/14/652881514.db2.gz HDCVBWKLCOKEKZ-WCBZVUCDSA-N 1 2 396.310 2.494 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)[C@H]2CCC[C@@H]21 ZINC000599651664 652882137 /nfs/dbraw/zinc/88/21/37/652882137.db2.gz ZTFUORBTNLGFQD-KFWWJZLASA-N 1 2 386.539 2.162 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)[C@H]2CCC[C@@H]21 ZINC000599651664 652882140 /nfs/dbraw/zinc/88/21/40/652882140.db2.gz ZTFUORBTNLGFQD-KFWWJZLASA-N 1 2 386.539 2.162 20 0 GEADLO CCOC1CC(CNC(=S)Nc2ccc(Cl)nc2)([NH+]2CCOCC2)C1 ZINC000766521431 652884558 /nfs/dbraw/zinc/88/45/58/652884558.db2.gz APWROTAXODFHFE-UHFFFAOYSA-N 1 2 384.933 2.291 20 0 GEADLO COc1nsc(C[NH2+]Cc2cccnc2N2CCOCC2)c1Br ZINC000638351508 652886831 /nfs/dbraw/zinc/88/68/31/652886831.db2.gz XJSULDJDAYCLMI-UHFFFAOYSA-N 1 2 399.314 2.436 20 0 GEADLO O=C(Nc1ccc(Br)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674203328 652890571 /nfs/dbraw/zinc/89/05/71/652890571.db2.gz LEMVKODMNDNMNJ-CQSZACIVSA-N 1 2 377.242 2.448 20 0 GEADLO C[C@@H](C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)[NH+](C)C ZINC000674288746 652892535 /nfs/dbraw/zinc/89/25/35/652892535.db2.gz MQSLBLUMVHILGQ-NSHDSACASA-N 1 2 391.331 2.068 20 0 GEADLO O=S(=O)(CC[N@H+]1CCC[C@@H](CCO)C1)c1cccc(Br)c1 ZINC000674304093 652893424 /nfs/dbraw/zinc/89/34/24/652893424.db2.gz KLZANEJNXMPIKK-ZDUSSCGKSA-N 1 2 376.316 2.317 20 0 GEADLO O=S(=O)(CC[N@@H+]1CCC[C@@H](CCO)C1)c1cccc(Br)c1 ZINC000674304093 652893429 /nfs/dbraw/zinc/89/34/29/652893429.db2.gz KLZANEJNXMPIKK-ZDUSSCGKSA-N 1 2 376.316 2.317 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000674367966 652897022 /nfs/dbraw/zinc/89/70/22/652897022.db2.gz DZWMASARIRRHOW-ULQDDVLXSA-N 1 2 387.307 2.248 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000766849541 652900408 /nfs/dbraw/zinc/90/04/08/652900408.db2.gz IOXJIUIZRYRHRV-KGLIPLIRSA-N 1 2 382.917 2.357 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000766849541 652900412 /nfs/dbraw/zinc/90/04/12/652900412.db2.gz IOXJIUIZRYRHRV-KGLIPLIRSA-N 1 2 382.917 2.357 20 0 GEADLO CN1C[C@@H]([N@H+](C)Cc2ccc(F)cc2I)CCC1=O ZINC000600179022 652906442 /nfs/dbraw/zinc/90/64/42/652906442.db2.gz QXOXBDSYOHVTCG-LBPRGKRZSA-N 1 2 376.213 2.483 20 0 GEADLO CN1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2I)CCC1=O ZINC000600179022 652906446 /nfs/dbraw/zinc/90/64/46/652906446.db2.gz QXOXBDSYOHVTCG-LBPRGKRZSA-N 1 2 376.213 2.483 20 0 GEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674626120 652906662 /nfs/dbraw/zinc/90/66/62/652906662.db2.gz LJPOYFTUQQXMSI-GARJFASQSA-N 1 2 377.329 2.089 20 0 GEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674626120 652906665 /nfs/dbraw/zinc/90/66/65/652906665.db2.gz LJPOYFTUQQXMSI-GARJFASQSA-N 1 2 377.329 2.089 20 0 GEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674626121 652906923 /nfs/dbraw/zinc/90/69/23/652906923.db2.gz LJPOYFTUQQXMSI-GMTAPVOTSA-N 1 2 377.329 2.089 20 0 GEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674626121 652906930 /nfs/dbraw/zinc/90/69/30/652906930.db2.gz LJPOYFTUQQXMSI-GMTAPVOTSA-N 1 2 377.329 2.089 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)s1 ZINC000639061314 652918261 /nfs/dbraw/zinc/91/82/61/652918261.db2.gz YCXMLMPPMIBYMU-UHFFFAOYSA-N 1 2 384.498 2.104 20 0 GEADLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639166059 652925023 /nfs/dbraw/zinc/92/50/23/652925023.db2.gz XDXFTMPIZCAYHP-UHFFFAOYSA-N 1 2 387.933 2.212 20 0 GEADLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639166059 652925031 /nfs/dbraw/zinc/92/50/31/652925031.db2.gz XDXFTMPIZCAYHP-UHFFFAOYSA-N 1 2 387.933 2.212 20 0 GEADLO COc1cc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(F)cc1Br ZINC000639201126 652927060 /nfs/dbraw/zinc/92/70/60/652927060.db2.gz GVLPZLJXSIQARP-NSHDSACASA-N 1 2 395.294 2.063 20 0 GEADLO COc1cc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(F)cc1Br ZINC000639201126 652927061 /nfs/dbraw/zinc/92/70/61/652927061.db2.gz GVLPZLJXSIQARP-NSHDSACASA-N 1 2 395.294 2.063 20 0 GEADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639248824 652928056 /nfs/dbraw/zinc/92/80/56/652928056.db2.gz PXCAZHWZBRNABC-SNVBAGLBSA-N 1 2 387.303 2.164 20 0 GEADLO COc1cc(Cl)c(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc1OC ZINC000639262590 652929141 /nfs/dbraw/zinc/92/91/41/652929141.db2.gz ZIQGVZQAEDWKFY-UHFFFAOYSA-N 1 2 388.917 2.357 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)o1 ZINC000639257372 652929284 /nfs/dbraw/zinc/92/92/84/652929284.db2.gz SYCACSSBAVBGKE-GFCCVEGCSA-N 1 2 382.404 2.108 20 0 GEADLO NS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)o1 ZINC000639257372 652929286 /nfs/dbraw/zinc/92/92/86/652929286.db2.gz SYCACSSBAVBGKE-GFCCVEGCSA-N 1 2 382.404 2.108 20 0 GEADLO COc1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cnc1Cl ZINC000767734678 652946917 /nfs/dbraw/zinc/94/69/17/652946917.db2.gz GOTIXDQRFGNRGK-UHFFFAOYSA-N 1 2 378.841 2.408 20 0 GEADLO COc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)ncc1Br ZINC000639961051 653089653 /nfs/dbraw/zinc/08/96/53/653089653.db2.gz AVHHBCYRFIYYMI-VXGBXAGGSA-N 1 2 399.289 2.180 20 0 GEADLO CO[C@@H]1C[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@@](C)(CO)C1 ZINC000640005496 653093320 /nfs/dbraw/zinc/09/33/20/653093320.db2.gz WXUQFKRFYLPIAL-WMLDXEAASA-N 1 2 396.285 2.395 20 0 GEADLO CO[C@@H]1C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@@](C)(CO)C1 ZINC000640005496 653093324 /nfs/dbraw/zinc/09/33/24/653093324.db2.gz WXUQFKRFYLPIAL-WMLDXEAASA-N 1 2 396.285 2.395 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000676709197 653104860 /nfs/dbraw/zinc/10/48/60/653104860.db2.gz LSROGXPOWPZTPH-AWEZNQCLSA-N 1 2 388.917 2.403 20 0 GEADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000676709197 653104864 /nfs/dbraw/zinc/10/48/64/653104864.db2.gz LSROGXPOWPZTPH-AWEZNQCLSA-N 1 2 388.917 2.403 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2nn(C)cc2Br)c1C ZINC000640308686 653113908 /nfs/dbraw/zinc/11/39/08/653113908.db2.gz KLHBBBZQPUFIDP-UHFFFAOYSA-N 1 2 382.262 2.867 20 0 GEADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2nnc(-c3ccccc3Br)o2)C1 ZINC000805479601 653119084 /nfs/dbraw/zinc/11/90/84/653119084.db2.gz RYMZDJZALLUXOG-ZDUSSCGKSA-N 1 2 396.241 2.263 20 0 GEADLO CC[N@H+]1CCO[C@H](C(=O)OCc2nnc(-c3ccccc3Br)o2)C1 ZINC000805479601 653119090 /nfs/dbraw/zinc/11/90/90/653119090.db2.gz RYMZDJZALLUXOG-ZDUSSCGKSA-N 1 2 396.241 2.263 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640383981 653123402 /nfs/dbraw/zinc/12/34/02/653123402.db2.gz VLRXFFIXXBKWEY-UHFFFAOYSA-N 1 2 384.334 2.991 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000678141150 653128291 /nfs/dbraw/zinc/12/82/91/653128291.db2.gz LWVROUHXUUWYRP-MRXNPFEDSA-N 1 2 382.917 2.348 20 0 GEADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000678141150 653128294 /nfs/dbraw/zinc/12/82/94/653128294.db2.gz LWVROUHXUUWYRP-MRXNPFEDSA-N 1 2 382.917 2.348 20 0 GEADLO COCC(=O)NC1CC[NH+](Cc2cc(Br)c(OC)s2)CC1 ZINC000678183810 653129659 /nfs/dbraw/zinc/12/96/59/653129659.db2.gz ZAXGJUZLHMOIMV-UHFFFAOYSA-N 1 2 377.304 2.246 20 0 GEADLO O=C(NCCn1cc(Br)cn1)N1CC[NH+](Cc2cccs2)CC1 ZINC000805837811 653131447 /nfs/dbraw/zinc/13/14/47/653131447.db2.gz FGLOULBSJVIUSD-UHFFFAOYSA-N 1 2 398.330 2.235 20 0 GEADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000771925277 653132211 /nfs/dbraw/zinc/13/22/11/653132211.db2.gz DXLRDWSQVKPGPU-GFCCVEGCSA-N 1 2 378.226 2.242 20 0 GEADLO CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772037763 653137718 /nfs/dbraw/zinc/13/77/18/653137718.db2.gz NWMWOWISFDXKPI-GFCCVEGCSA-N 1 2 388.892 2.418 20 0 GEADLO CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772037763 653137724 /nfs/dbraw/zinc/13/77/24/653137724.db2.gz NWMWOWISFDXKPI-GFCCVEGCSA-N 1 2 388.892 2.418 20 0 GEADLO C[N@H+](CC(=O)OCC(=O)Nc1ccccc1Br)[C@H]1CCSC1 ZINC000772050115 653138248 /nfs/dbraw/zinc/13/82/48/653138248.db2.gz UNXWGKPYMDVNEN-NSHDSACASA-N 1 2 387.299 2.368 20 0 GEADLO C[N@@H+](CC(=O)OCC(=O)Nc1ccccc1Br)[C@H]1CCSC1 ZINC000772050115 653138252 /nfs/dbraw/zinc/13/82/52/653138252.db2.gz UNXWGKPYMDVNEN-NSHDSACASA-N 1 2 387.299 2.368 20 0 GEADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000640984635 653149030 /nfs/dbraw/zinc/14/90/30/653149030.db2.gz SWMBDFZJUMDIHJ-UHFFFAOYSA-N 1 2 379.251 2.488 20 0 GEADLO C[N@H+](CCO)Cc1cn(Cc2cc(Br)ccc2OC(F)F)nn1 ZINC000641012152 653150704 /nfs/dbraw/zinc/15/07/04/653150704.db2.gz VMKWFUQDGNQKBN-UHFFFAOYSA-N 1 2 391.216 2.114 20 0 GEADLO C[N@@H+](CCO)Cc1cn(Cc2cc(Br)ccc2OC(F)F)nn1 ZINC000641012152 653150706 /nfs/dbraw/zinc/15/07/06/653150706.db2.gz VMKWFUQDGNQKBN-UHFFFAOYSA-N 1 2 391.216 2.114 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCc3sc(Br)cc3C2)CCO1 ZINC000772602214 653155960 /nfs/dbraw/zinc/15/59/60/653155960.db2.gz XFSMWOPXVQDXAQ-LLVKDONJSA-N 1 2 388.331 2.299 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCc3sc(Br)cc3C2)CCO1 ZINC000772602214 653155962 /nfs/dbraw/zinc/15/59/62/653155962.db2.gz XFSMWOPXVQDXAQ-LLVKDONJSA-N 1 2 388.331 2.299 20 0 GEADLO Cn1ncc(N2CCC(CCCn3cc[nH+]c3)CC2)c(Br)c1=O ZINC000679934845 653158892 /nfs/dbraw/zinc/15/88/92/653158892.db2.gz WRCGRDXTFQDCMP-UHFFFAOYSA-N 1 2 380.290 2.436 20 0 GEADLO C[C@@H](c1cc(Cl)ccc1Cl)n1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000641132542 653161043 /nfs/dbraw/zinc/16/10/43/653161043.db2.gz MCFOMENTFLMBFG-JQWIXIFHSA-N 1 2 389.308 2.471 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000806667152 653172472 /nfs/dbraw/zinc/17/24/72/653172472.db2.gz UNGFXRBXSAVBCZ-BLLLJJGKSA-N 1 2 390.311 2.437 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000806667152 653172475 /nfs/dbraw/zinc/17/24/75/653172475.db2.gz UNGFXRBXSAVBCZ-BLLLJJGKSA-N 1 2 390.311 2.437 20 0 GEADLO COCC[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000772982854 653175640 /nfs/dbraw/zinc/17/56/40/653175640.db2.gz SHQLTXLEGCYPLH-UHFFFAOYSA-N 1 2 393.285 2.039 20 0 GEADLO Cn1cc(C[NH2+]Cc2cc(Br)cc(Br)c2N)nn1 ZINC000681119588 653177935 /nfs/dbraw/zinc/17/79/35/653177935.db2.gz DSMNAKGDOHSHEG-UHFFFAOYSA-N 1 2 375.068 2.212 20 0 GEADLO COCCS(=O)(=O)CCC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000769815649 653179495 /nfs/dbraw/zinc/17/94/95/653179495.db2.gz SRRRLOGOEXNFNJ-UHFFFAOYSA-N 1 2 375.918 2.075 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCc2ccc(Br)cc21 ZINC000602462044 653183048 /nfs/dbraw/zinc/18/30/48/653183048.db2.gz DSLYFQZRNHROQS-UHFFFAOYSA-N 1 2 391.269 2.131 20 0 GEADLO Cc1cccn2cc(CCNC(=O)c3nccn4c(Br)cnc34)[nH+]c12 ZINC000769937346 653191748 /nfs/dbraw/zinc/19/17/48/653191748.db2.gz FADDWXLYKIPJMB-UHFFFAOYSA-N 1 2 399.252 2.420 20 0 GEADLO C[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)Oc1ccc(Br)cc1 ZINC000641362294 653192286 /nfs/dbraw/zinc/19/22/86/653192286.db2.gz OYOGWEHQWPWIFB-LBPRGKRZSA-N 1 2 388.287 2.033 20 0 GEADLO COC(=O)[C@]1(C)CC[N@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000773307241 653192348 /nfs/dbraw/zinc/19/23/48/653192348.db2.gz FWHLAFZHEWSZAK-OAHLLOKOSA-N 1 2 387.205 2.339 20 0 GEADLO COC(=O)[C@]1(C)CC[N@@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000773307241 653192351 /nfs/dbraw/zinc/19/23/51/653192351.db2.gz FWHLAFZHEWSZAK-OAHLLOKOSA-N 1 2 387.205 2.339 20 0 GEADLO C[C@@H](Cc1ccc(F)c(Br)c1)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641384324 653195974 /nfs/dbraw/zinc/19/59/74/653195974.db2.gz ZFAWAFSNADFJDP-NSHDSACASA-N 1 2 390.278 2.335 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)NCc1cccc(COCC(F)(F)F)c1 ZINC000641389094 653197123 /nfs/dbraw/zinc/19/71/23/653197123.db2.gz JGZATEQVJRZTOB-UHFFFAOYSA-N 1 2 377.388 2.082 20 0 GEADLO CNC(=O)NC1CC[NH+](Cc2ccc(I)s2)CC1 ZINC000602695450 653200706 /nfs/dbraw/zinc/20/07/06/653200706.db2.gz WHWKTCVQPYLXTH-UHFFFAOYSA-N 1 2 379.267 2.246 20 0 GEADLO C[C@H](NC(=O)c1cnc2ncc(Br)cc2c1)[C@H](C)[NH+]1CCOCC1 ZINC000681986803 653201109 /nfs/dbraw/zinc/20/11/09/653201109.db2.gz YPSNOJAPTQWBJH-RYUDHWBXSA-N 1 2 393.285 2.231 20 0 GEADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)C[C@H]1C ZINC000682485666 653212813 /nfs/dbraw/zinc/21/28/13/653212813.db2.gz SYBMVNKSXDFDGC-ZIAGYGMSSA-N 1 2 390.933 2.468 20 0 GEADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)C[C@H]1C ZINC000682485666 653212825 /nfs/dbraw/zinc/21/28/25/653212825.db2.gz SYBMVNKSXDFDGC-ZIAGYGMSSA-N 1 2 390.933 2.468 20 0 GEADLO CN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(Br)c(Cl)c1 ZINC000682488320 653213632 /nfs/dbraw/zinc/21/36/32/653213632.db2.gz CVMVQMFJORQWJB-UHFFFAOYSA-N 1 2 375.694 2.436 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(c2ncnc(C(F)(F)F)c2Br)[C@@H](C)C1 ZINC000641501041 653214893 /nfs/dbraw/zinc/21/48/93/653214893.db2.gz QICULXHJGFQGQQ-DTWKUNHWSA-N 1 2 383.212 2.149 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(c2ncnc(C(F)(F)F)c2Br)[C@@H](C)C1 ZINC000641501041 653214899 /nfs/dbraw/zinc/21/48/99/653214899.db2.gz QICULXHJGFQGQQ-DTWKUNHWSA-N 1 2 383.212 2.149 20 0 GEADLO O=C(N[C@@H](CCO)c1ccccc1Br)[C@H]1CCc2[nH+]ccn2C1 ZINC000682528455 653217094 /nfs/dbraw/zinc/21/70/94/653217094.db2.gz BMRRYRMQCFWHDR-WFASDCNBSA-N 1 2 378.270 2.448 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CCc2c1ccc(F)c2Br ZINC000641524413 653217691 /nfs/dbraw/zinc/21/76/91/653217691.db2.gz KUHPTEFCRLHOOY-ZDUSSCGKSA-N 1 2 388.262 2.392 20 0 GEADLO O=S(=O)(CCn1cc[nH+]c1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000641530883 653218484 /nfs/dbraw/zinc/21/84/84/653218484.db2.gz UGHHFYUTINRYET-CQSZACIVSA-N 1 2 385.287 2.208 20 0 GEADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@@H](CC(F)(F)F)C2)C1 ZINC000641619310 653224456 /nfs/dbraw/zinc/22/44/56/653224456.db2.gz DBNGHVSKKGGBBG-ZDUSSCGKSA-N 1 2 378.416 2.016 20 0 GEADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@@H](CC(F)(F)F)C2)C1 ZINC000641619310 653224461 /nfs/dbraw/zinc/22/44/61/653224461.db2.gz DBNGHVSKKGGBBG-ZDUSSCGKSA-N 1 2 378.416 2.016 20 0 GEADLO CN(Cc1ccc(Br)cc1F)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641636320 653226372 /nfs/dbraw/zinc/22/63/72/653226372.db2.gz DQHAMUBFUGIZBB-UHFFFAOYSA-N 1 2 376.251 2.247 20 0 GEADLO CC(C)S(=O)(=O)CCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000808499337 653230397 /nfs/dbraw/zinc/23/03/97/653230397.db2.gz SVXRBYPXSBQXGC-ZDUSSCGKSA-N 1 2 388.559 2.320 20 0 GEADLO CC(C)S(=O)(=O)CCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000808499337 653230401 /nfs/dbraw/zinc/23/04/01/653230401.db2.gz SVXRBYPXSBQXGC-ZDUSSCGKSA-N 1 2 388.559 2.320 20 0 GEADLO O=C(CCCn1cc[nH+]c1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000683257089 653232741 /nfs/dbraw/zinc/23/27/41/653232741.db2.gz VWHVAYOVTBLJED-HNNXBMFYSA-N 1 2 380.286 2.393 20 0 GEADLO C[C@@H](Nc1ncc(Cn2cc(Br)cn2)s1)[C@@H]1C[N@H+](C)CCO1 ZINC000683749938 653240238 /nfs/dbraw/zinc/24/02/38/653240238.db2.gz DWZOCMMEMBNXSU-MFKMUULPSA-N 1 2 386.319 2.281 20 0 GEADLO C[C@@H](Nc1ncc(Cn2cc(Br)cn2)s1)[C@@H]1C[N@@H+](C)CCO1 ZINC000683749938 653240241 /nfs/dbraw/zinc/24/02/41/653240241.db2.gz DWZOCMMEMBNXSU-MFKMUULPSA-N 1 2 386.319 2.281 20 0 GEADLO O=C(N[C@H]1CCN(c2ccccc2Br)C1)N1CCn2c[nH+]cc2C1 ZINC000642333606 653242611 /nfs/dbraw/zinc/24/26/11/653242611.db2.gz XSYXYCIHVHABTK-ZDUSSCGKSA-N 1 2 390.285 2.450 20 0 GEADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)[C@H](C)C1 ZINC000774784226 653255550 /nfs/dbraw/zinc/25/55/50/653255550.db2.gz CDLVYZVCUOQTDJ-CEFACKQISA-N 1 2 386.901 2.210 20 0 GEADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)[C@H](C)C1 ZINC000774784226 653255563 /nfs/dbraw/zinc/25/55/63/653255563.db2.gz CDLVYZVCUOQTDJ-CEFACKQISA-N 1 2 386.901 2.210 20 0 GEADLO O=C(CCCn1cc[nH+]c1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000684529455 653270941 /nfs/dbraw/zinc/27/09/41/653270941.db2.gz GLDYREYSEXLLDW-INIZCTEOSA-N 1 2 391.269 2.126 20 0 GEADLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000809540141 653280202 /nfs/dbraw/zinc/28/02/02/653280202.db2.gz LSEDPGBNFRPBFY-LLVKDONJSA-N 1 2 383.495 2.029 20 0 GEADLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000809540141 653280237 /nfs/dbraw/zinc/28/02/37/653280237.db2.gz LSEDPGBNFRPBFY-LLVKDONJSA-N 1 2 383.495 2.029 20 0 GEADLO C[S@](=O)CC[NH+]1CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000809580533 653283190 /nfs/dbraw/zinc/28/31/90/653283190.db2.gz CEBIZNVDOCZBRN-VWLOTQADSA-N 1 2 375.579 2.018 20 0 GEADLO CCC(CC)[C@H](CNS(=O)(=O)C[C@H]1CCC(F)(F)C1)[NH+]1CCOCC1 ZINC000685294180 653301698 /nfs/dbraw/zinc/30/16/98/653301698.db2.gz XREMTAFXEYTDDS-HOCLYGCPSA-N 1 2 382.517 2.478 20 0 GEADLO CO[C@@H](CNc1nc(C)[nH+]c(NC[C@H](OC)C(F)(F)F)n1)C(F)(F)F ZINC000775478415 653314759 /nfs/dbraw/zinc/31/47/59/653314759.db2.gz PHGKBBSHIFRNDS-YUMQZZPRSA-N 1 2 377.289 2.158 20 0 GEADLO Cn1cc(C[NH+]2CCN(C[C@@H](O)c3ccc(F)c(Br)c3)CC2)cn1 ZINC000775599372 653319010 /nfs/dbraw/zinc/31/90/10/653319010.db2.gz GPGBMQQMTVPKPR-QGZVFWFLSA-N 1 2 397.292 2.173 20 0 GEADLO Cc1cc(C)c(CNC(=O)C(=O)Nc2ccc(Br)nc2C)c[nH+]1 ZINC000836038028 653326258 /nfs/dbraw/zinc/32/62/58/653326258.db2.gz OWMWBSDIVABKDY-UHFFFAOYSA-N 1 2 377.242 2.419 20 0 GEADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000874703171 653333069 /nfs/dbraw/zinc/33/30/69/653333069.db2.gz OAXRKSGQTJODDJ-CQSZACIVSA-N 1 2 385.295 2.411 20 0 GEADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000874703171 653333076 /nfs/dbraw/zinc/33/30/76/653333076.db2.gz OAXRKSGQTJODDJ-CQSZACIVSA-N 1 2 385.295 2.411 20 0 GEADLO Cc1cnc(Br)cc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000776055579 653337396 /nfs/dbraw/zinc/33/73/96/653337396.db2.gz YOBUHUDHNDGKCS-ZDUSSCGKSA-N 1 2 383.290 2.481 20 0 GEADLO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000874847211 653339367 /nfs/dbraw/zinc/33/93/67/653339367.db2.gz MWOIJUQTYVKEBP-HOTGVXAUSA-N 1 2 382.913 2.341 20 0 GEADLO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000874847211 653339369 /nfs/dbraw/zinc/33/93/69/653339369.db2.gz MWOIJUQTYVKEBP-HOTGVXAUSA-N 1 2 382.913 2.341 20 0 GEADLO O=C(NCCCCn1cc[nH+]c1)NC[C@H](O)c1ccccc1Br ZINC000836249611 653340904 /nfs/dbraw/zinc/34/09/04/653340904.db2.gz NEYDHLYDRVVIDJ-HNNXBMFYSA-N 1 2 381.274 2.459 20 0 GEADLO CC(=O)N1CCc2sc(S(=O)(=O)N3c4cc[nH+]cc4C[C@@H]3C)cc2C1 ZINC000857899521 653342629 /nfs/dbraw/zinc/34/26/29/653342629.db2.gz HRLXSDOGZGBESQ-NSHDSACASA-N 1 2 377.491 2.188 20 0 GEADLO C[C@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000857901724 653342718 /nfs/dbraw/zinc/34/27/18/653342718.db2.gz NPHWTOOUYBUMGP-JTQLQIEISA-N 1 2 386.882 2.278 20 0 GEADLO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981241 653346077 /nfs/dbraw/zinc/34/60/77/653346077.db2.gz YFCWOMAFCQOBQS-CYBMUJFWSA-N 1 2 398.282 2.232 20 0 GEADLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000857990183 653346725 /nfs/dbraw/zinc/34/67/25/653346725.db2.gz SSQJTKARCMUHDF-YPMHNXCESA-N 1 2 389.253 2.260 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986756 653346793 /nfs/dbraw/zinc/34/67/93/653346793.db2.gz SCNSIGZVHHBURR-IUCAKERBSA-N 1 2 383.271 2.087 20 0 GEADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(Br)nc1 ZINC000810595968 653348075 /nfs/dbraw/zinc/34/80/75/653348075.db2.gz OKXDUJAMBICPAC-ZDUSSCGKSA-N 1 2 394.273 2.279 20 0 GEADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(Br)nc1 ZINC000810595968 653348081 /nfs/dbraw/zinc/34/80/81/653348081.db2.gz OKXDUJAMBICPAC-ZDUSSCGKSA-N 1 2 394.273 2.279 20 0 GEADLO COc1ccc(CN2CC[C@H]([NH2+]Cc3cn(C)nc3Br)C2=O)cc1 ZINC000858139567 653350193 /nfs/dbraw/zinc/35/01/93/653350193.db2.gz VVKOWPQTEOAKBI-HNNXBMFYSA-N 1 2 393.285 2.082 20 0 GEADLO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cn(C)nc3Br)C2=O)cc1 ZINC000858160118 653351831 /nfs/dbraw/zinc/35/18/31/653351831.db2.gz FCFIFGOYMLCKNX-HNNXBMFYSA-N 1 2 377.286 2.382 20 0 GEADLO Cc1c(Br)cncc1C[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000858324245 653360236 /nfs/dbraw/zinc/36/02/36/653360236.db2.gz NZHBAYAWMILGFM-UHFFFAOYSA-N 1 2 375.274 2.499 20 0 GEADLO Cn1nc(Cl)c(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1Cl ZINC000858401199 653362402 /nfs/dbraw/zinc/36/24/02/653362402.db2.gz JQNUEYQWRPZNEI-UHFFFAOYSA-N 1 2 382.295 2.279 20 0 GEADLO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000777567456 653401804 /nfs/dbraw/zinc/40/18/04/653401804.db2.gz QLPXVYRBYUWAEN-SNVBAGLBSA-N 1 2 395.223 2.481 20 0 GEADLO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cn2ncc(Br)c2C2CC2)C1 ZINC000777567456 653401812 /nfs/dbraw/zinc/40/18/12/653401812.db2.gz QLPXVYRBYUWAEN-SNVBAGLBSA-N 1 2 395.223 2.481 20 0 GEADLO C[N@H+](CCn1cc(Br)cn1)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811776447 653403951 /nfs/dbraw/zinc/40/39/51/653403951.db2.gz NCMMOQQEGMQIQX-HUUCEWRRSA-N 1 2 397.317 2.095 20 0 GEADLO C[N@@H+](CCn1cc(Br)cn1)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811776447 653403954 /nfs/dbraw/zinc/40/39/54/653403954.db2.gz NCMMOQQEGMQIQX-HUUCEWRRSA-N 1 2 397.317 2.095 20 0 GEADLO COC(=O)c1c2cnn(CN3CCn4c[nH+]cc4C3)c2ccc1Br ZINC000811787240 653404930 /nfs/dbraw/zinc/40/49/30/653404930.db2.gz FVUOPJDYCYLJPK-UHFFFAOYSA-N 1 2 390.241 2.255 20 0 GEADLO C[C@H]1COCC[N@H+](Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000777958238 653414334 /nfs/dbraw/zinc/41/43/34/653414334.db2.gz NGFLUXHUSLNEHR-SNVBAGLBSA-N 1 2 388.205 2.125 20 0 GEADLO C[C@H]1COCC[N@@H+](Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000777958238 653414335 /nfs/dbraw/zinc/41/43/35/653414335.db2.gz NGFLUXHUSLNEHR-SNVBAGLBSA-N 1 2 388.205 2.125 20 0 GEADLO NS(=O)(=O)c1cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)ccc1Cl ZINC000876649609 653441344 /nfs/dbraw/zinc/44/13/44/653441344.db2.gz AKLVBTRUZPQCPV-OAHLLOKOSA-N 1 2 388.917 2.147 20 0 GEADLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000876719003 653443482 /nfs/dbraw/zinc/44/34/82/653443482.db2.gz AUOBBEPCGVDSBC-UHFFFAOYSA-N 1 2 389.543 2.227 20 0 GEADLO C[S@@](=O)CC[NH+]1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000812829917 653444550 /nfs/dbraw/zinc/44/45/50/653444550.db2.gz SDCRSXORNJXNPG-JOCHJYFZSA-N 1 2 386.315 2.086 20 0 GEADLO CC[N@@H+]1CCO[C@@H](C(=O)OC[C@@H](COC)c2ccc(Br)cc2)C1 ZINC000837548175 653448271 /nfs/dbraw/zinc/44/82/71/653448271.db2.gz XUNCGKVXLGWKRI-GDBMZVCRSA-N 1 2 386.286 2.443 20 0 GEADLO CC[N@H+]1CCO[C@@H](C(=O)OC[C@@H](COC)c2ccc(Br)cc2)C1 ZINC000837548175 653448276 /nfs/dbraw/zinc/44/82/76/653448276.db2.gz XUNCGKVXLGWKRI-GDBMZVCRSA-N 1 2 386.286 2.443 20 0 GEADLO COC(=O)c1cn(C2CC[NH+](Cc3cccnc3Br)CC2)nn1 ZINC000877346996 653477731 /nfs/dbraw/zinc/47/77/31/653477731.db2.gz XAUQEOOENSVELL-UHFFFAOYSA-N 1 2 380.246 2.059 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000779563653 653488008 /nfs/dbraw/zinc/48/80/08/653488008.db2.gz PBOZHZINJPCMCF-UWVGGRQHSA-N 1 2 386.271 2.169 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000779567502 653501216 /nfs/dbraw/zinc/50/12/16/653501216.db2.gz UZQCWJOENLPLQB-PWSUYJOCSA-N 1 2 386.235 2.315 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)o1 ZINC000877484797 653526929 /nfs/dbraw/zinc/52/69/29/653526929.db2.gz ODORCXDHXSGGBY-UHFFFAOYSA-N 1 2 385.873 2.266 20 0 GEADLO C[N@@H+](CCS(N)(=O)=O)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000877826714 653621867 /nfs/dbraw/zinc/62/18/67/653621867.db2.gz FYAFORXMDRPIAB-UHFFFAOYSA-N 1 2 375.210 2.188 20 0 GEADLO C[N@@H+](Cc1cn(C[C@@H]2CCOC2)nn1)C[C@@H](O)c1ccccc1Br ZINC000877575775 653612782 /nfs/dbraw/zinc/61/27/82/653612782.db2.gz DFRIQIYASNMIRJ-SUMWQHHRSA-N 1 2 395.301 2.243 20 0 GEADLO C[N@H+](Cc1cn(C[C@@H]2CCOC2)nn1)C[C@@H](O)c1ccccc1Br ZINC000877575775 653612784 /nfs/dbraw/zinc/61/27/84/653612784.db2.gz DFRIQIYASNMIRJ-SUMWQHHRSA-N 1 2 395.301 2.243 20 0 GEADLO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cccnc2Br)c1 ZINC000877582888 653613156 /nfs/dbraw/zinc/61/31/56/653613156.db2.gz CBZOYSLBZJEROU-UHFFFAOYSA-N 1 2 384.299 2.432 20 0 GEADLO CCOc1cc(C[NH2+]Cc2c(I)cnn2C)ccc1O ZINC000877776436 653619407 /nfs/dbraw/zinc/61/94/07/653619407.db2.gz KCXARNNWLZDXLV-UHFFFAOYSA-N 1 2 387.221 2.419 20 0 GEADLO C[N@H+](CCS(N)(=O)=O)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000877826714 653621862 /nfs/dbraw/zinc/62/18/62/653621862.db2.gz FYAFORXMDRPIAB-UHFFFAOYSA-N 1 2 375.210 2.188 20 0 GEADLO O=C1C[C@@H](c2ccccc2)[N@H+](C[C@@H](O)c2cc(Br)no2)CCN1 ZINC000878032135 653626819 /nfs/dbraw/zinc/62/68/19/653626819.db2.gz MAQZUDLOIYKJFY-QWHCGFSZSA-N 1 2 380.242 2.034 20 0 GEADLO O=C1C[C@@H](c2ccccc2)[N@@H+](C[C@@H](O)c2cc(Br)no2)CCN1 ZINC000878032135 653626821 /nfs/dbraw/zinc/62/68/21/653626821.db2.gz MAQZUDLOIYKJFY-QWHCGFSZSA-N 1 2 380.242 2.034 20 0 GEADLO CN(C[C@@H](O)c1ccccc1Br)C(=O)NCCc1cn(C)c[nH+]1 ZINC000838744893 653629428 /nfs/dbraw/zinc/62/94/28/653629428.db2.gz PSJLRMOBEGTAAE-OAHLLOKOSA-N 1 2 381.274 2.100 20 0 GEADLO C[N@H+](C[C@H](O)c1cc(Br)no1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000878243740 653632534 /nfs/dbraw/zinc/63/25/34/653632534.db2.gz HNFITERUAVKLHY-OLZOCXBDSA-N 1 2 380.242 2.208 20 0 GEADLO C[N@@H+](C[C@H](O)c1cc(Br)no1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000878243740 653632535 /nfs/dbraw/zinc/63/25/35/653632535.db2.gz HNFITERUAVKLHY-OLZOCXBDSA-N 1 2 380.242 2.208 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2c(Br)cnn2C)c1C ZINC000878530868 653640365 /nfs/dbraw/zinc/64/03/65/653640365.db2.gz ZYQXLVZZOXUXNB-UHFFFAOYSA-N 1 2 381.274 2.404 20 0 GEADLO CCn1ncc(CNc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n1 ZINC000839041298 653641061 /nfs/dbraw/zinc/64/10/61/653641061.db2.gz VPABOBZGLLZHKX-UHFFFAOYSA-N 1 2 379.306 2.424 20 0 GEADLO Cn1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1I ZINC000814894706 653641172 /nfs/dbraw/zinc/64/11/72/653641172.db2.gz ALLUCVDOXLYGRW-UHFFFAOYSA-N 1 2 393.188 2.463 20 0 GEADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878616445 653642640 /nfs/dbraw/zinc/64/26/40/653642640.db2.gz YZOOGAXKILHBOW-VXGBXAGGSA-N 1 2 390.278 2.413 20 0 GEADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878616445 653642645 /nfs/dbraw/zinc/64/26/45/653642645.db2.gz YZOOGAXKILHBOW-VXGBXAGGSA-N 1 2 390.278 2.413 20 0 GEADLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878627672 653642900 /nfs/dbraw/zinc/64/29/00/653642900.db2.gz SBCVJYNHGCADNE-VXGBXAGGSA-N 1 2 388.262 2.214 20 0 GEADLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cc(Br)no1 ZINC000878627672 653642902 /nfs/dbraw/zinc/64/29/02/653642902.db2.gz SBCVJYNHGCADNE-VXGBXAGGSA-N 1 2 388.262 2.214 20 0 GEADLO OC[C@]1(F)C[N@H+](C[C@H](O)c2cc(Br)no2)C[C@H]1c1ccccc1 ZINC000878666366 653643931 /nfs/dbraw/zinc/64/39/31/653643931.db2.gz UBTBNUXQRAXDLH-HEHGZKQESA-N 1 2 385.233 2.271 20 0 GEADLO OC[C@]1(F)C[N@@H+](C[C@H](O)c2cc(Br)no2)C[C@H]1c1ccccc1 ZINC000878666366 653643935 /nfs/dbraw/zinc/64/39/35/653643935.db2.gz UBTBNUXQRAXDLH-HEHGZKQESA-N 1 2 385.233 2.271 20 0 GEADLO OC[C@]1(F)C[N@H+](C[C@@H](O)c2cc(Br)no2)C[C@H]1c1ccccc1 ZINC000878666368 653643953 /nfs/dbraw/zinc/64/39/53/653643953.db2.gz UBTBNUXQRAXDLH-WOSRLPQWSA-N 1 2 385.233 2.271 20 0 GEADLO OC[C@]1(F)C[N@@H+](C[C@@H](O)c2cc(Br)no2)C[C@H]1c1ccccc1 ZINC000878666368 653643955 /nfs/dbraw/zinc/64/39/55/653643955.db2.gz UBTBNUXQRAXDLH-WOSRLPQWSA-N 1 2 385.233 2.271 20 0 GEADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2c(Br)cnn2C)CC1 ZINC000878854885 653649579 /nfs/dbraw/zinc/64/95/79/653649579.db2.gz OMVJDSJERGZGED-ZDUSSCGKSA-N 1 2 392.301 2.026 20 0 GEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000781969713 653652758 /nfs/dbraw/zinc/65/27/58/653652758.db2.gz MMXXYQFHACEKQJ-UHFFFAOYSA-N 1 2 398.282 2.136 20 0 GEADLO Cc1cc(NC(=O)C[NH+]2CCC([C@H](F)C(N)=O)CC2)ccc1Br ZINC000879045636 653656542 /nfs/dbraw/zinc/65/65/42/653656542.db2.gz KZTHZWYRCHGMLF-HNNXBMFYSA-N 1 2 386.265 2.231 20 0 GEADLO NC(=O)[C@@H](F)C1CC[NH+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000879046046 653656586 /nfs/dbraw/zinc/65/65/86/653656586.db2.gz PEDMTMWHWBLZNF-AWEZNQCLSA-N 1 2 375.416 2.475 20 0 GEADLO COC(=O)[C@H]1CC(=O)N(C[N@H+](Cc2cccc(Br)c2)C2CC2)C1 ZINC000782265383 653658118 /nfs/dbraw/zinc/65/81/18/653658118.db2.gz DSGFHKMJBUDXES-ZDUSSCGKSA-N 1 2 381.270 2.393 20 0 GEADLO COC(=O)[C@H]1CC(=O)N(C[N@@H+](Cc2cccc(Br)c2)C2CC2)C1 ZINC000782265383 653658122 /nfs/dbraw/zinc/65/81/22/653658122.db2.gz DSGFHKMJBUDXES-ZDUSSCGKSA-N 1 2 381.270 2.393 20 0 GEADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839639936 653659065 /nfs/dbraw/zinc/65/90/65/653659065.db2.gz KGONOEYWFSUAMN-MFKMUULPSA-N 1 2 395.305 2.009 20 0 GEADLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839639936 653659069 /nfs/dbraw/zinc/65/90/69/653659069.db2.gz KGONOEYWFSUAMN-MFKMUULPSA-N 1 2 395.305 2.009 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000839732572 653661692 /nfs/dbraw/zinc/66/16/92/653661692.db2.gz WJCYLLNXQZWERP-RRFJBIMHSA-N 1 2 392.253 2.107 20 0 GEADLO CO[C@@H]1C[C@@H]2C[N@H+](Cc3nn(C)cc3Br)Cc3cccnc3N2C1 ZINC000879268471 653664280 /nfs/dbraw/zinc/66/42/80/653664280.db2.gz JBSGBRCFDAHIGR-ZIAGYGMSSA-N 1 2 392.301 2.187 20 0 GEADLO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3nn(C)cc3Br)Cc3cccnc3N2C1 ZINC000879268471 653664281 /nfs/dbraw/zinc/66/42/81/653664281.db2.gz JBSGBRCFDAHIGR-ZIAGYGMSSA-N 1 2 392.301 2.187 20 0 GEADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(Br)ccc1C1CC1 ZINC000879307530 653665289 /nfs/dbraw/zinc/66/52/89/653665289.db2.gz XTAWDIGVRXUUMQ-HNNXBMFYSA-N 1 2 397.313 2.092 20 0 GEADLO O=c1n(C[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)nc2cnccn21 ZINC000840082715 653673606 /nfs/dbraw/zinc/67/36/06/653673606.db2.gz GFKSWGYZHNQZFY-AWEZNQCLSA-N 1 2 388.269 2.176 20 0 GEADLO O=c1n(C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)nc2cnccn21 ZINC000840082715 653673610 /nfs/dbraw/zinc/67/36/10/653673610.db2.gz GFKSWGYZHNQZFY-AWEZNQCLSA-N 1 2 388.269 2.176 20 0 GEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)OCCCn1cc[nH+]c1 ZINC000783082182 653674419 /nfs/dbraw/zinc/67/44/19/653674419.db2.gz DHRZWRMCJUSIIG-JTQLQIEISA-N 1 2 386.271 2.459 20 0 GEADLO CCn1c(=S)n(C[N@@H+]2CCC[C@@]3(CCSC3)C2)nc1N1CCOCC1 ZINC000840145051 653676526 /nfs/dbraw/zinc/67/65/26/653676526.db2.gz OQDMIMOVNAVKOP-QGZVFWFLSA-N 1 2 383.587 2.447 20 0 GEADLO CCn1c(=S)n(C[N@H+]2CCC[C@@]3(CCSC3)C2)nc1N1CCOCC1 ZINC000840145051 653676530 /nfs/dbraw/zinc/67/65/30/653676530.db2.gz OQDMIMOVNAVKOP-QGZVFWFLSA-N 1 2 383.587 2.447 20 0 GEADLO CS(=O)(=O)c1cc(C(=O)OCCCn2cc[nH+]c2)ccc1Br ZINC000783335049 653677843 /nfs/dbraw/zinc/67/78/43/653677843.db2.gz TWZMQBFZDGCKIJ-UHFFFAOYSA-N 1 2 387.255 2.296 20 0 GEADLO O=C(CCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21)c1ccc(Br)cc1 ZINC000879724534 653680317 /nfs/dbraw/zinc/68/03/17/653680317.db2.gz GRUYRUCNFKYNGW-SJORKVTESA-N 1 2 395.297 2.391 20 0 GEADLO O=C(CCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21)c1ccc(Br)cc1 ZINC000879724534 653680319 /nfs/dbraw/zinc/68/03/19/653680319.db2.gz GRUYRUCNFKYNGW-SJORKVTESA-N 1 2 395.297 2.391 20 0 GEADLO O=C(NCCO)C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000840248627 653680811 /nfs/dbraw/zinc/68/08/11/653680811.db2.gz IWYFVJKZTHCEPW-UHFFFAOYSA-N 1 2 378.270 2.322 20 0 GEADLO C[C@H](C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)S(C)(=O)=O ZINC000880026060 653692782 /nfs/dbraw/zinc/69/27/82/653692782.db2.gz DDSGOFIPRJIPTO-IJLUTSLNSA-N 1 2 388.452 2.055 20 0 GEADLO C[C@H](C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)S(C)(=O)=O ZINC000880026060 653692784 /nfs/dbraw/zinc/69/27/84/653692784.db2.gz DDSGOFIPRJIPTO-IJLUTSLNSA-N 1 2 388.452 2.055 20 0 GEADLO COC(=O)[C@]12CCC[C@H]1[N@@H+]([C@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000880182521 653700110 /nfs/dbraw/zinc/70/01/10/653700110.db2.gz ZKQULELEIAXWDV-KEYYUXOJSA-N 1 2 381.270 2.393 20 0 GEADLO COC(=O)[C@]12CCC[C@H]1[N@H+]([C@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000880182521 653700111 /nfs/dbraw/zinc/70/01/11/653700111.db2.gz ZKQULELEIAXWDV-KEYYUXOJSA-N 1 2 381.270 2.393 20 0 GEADLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1CCOCC1 ZINC000880339989 653704245 /nfs/dbraw/zinc/70/42/45/653704245.db2.gz RELFSSUWZROLRO-MRXNPFEDSA-N 1 2 399.285 2.336 20 0 GEADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21)c1ccc(Br)cc1 ZINC000880530004 653707636 /nfs/dbraw/zinc/70/76/36/653707636.db2.gz DFMKDPOOXWEWPV-RVSPLBMKSA-N 1 2 394.313 2.227 20 0 GEADLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21)c1ccc(Br)cc1 ZINC000880530004 653707637 /nfs/dbraw/zinc/70/76/37/653707637.db2.gz DFMKDPOOXWEWPV-RVSPLBMKSA-N 1 2 394.313 2.227 20 0 GEADLO CC(=O)N[C@H]1CC[N@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000817367452 653708989 /nfs/dbraw/zinc/70/89/89/653708989.db2.gz JPHVRMTYEZJJDL-HNNXBMFYSA-N 1 2 378.274 2.184 20 0 GEADLO CC(=O)N[C@H]1CC[N@@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000817367452 653708993 /nfs/dbraw/zinc/70/89/93/653708993.db2.gz JPHVRMTYEZJJDL-HNNXBMFYSA-N 1 2 378.274 2.184 20 0 GEADLO CNC(=O)[C@H]1CC[N@H+](Cn2nc(Nc3cccc(OC)c3)sc2=S)C1 ZINC000817370702 653709149 /nfs/dbraw/zinc/70/91/49/653709149.db2.gz RYEMUFOEOYWAOV-NSHDSACASA-N 1 2 379.511 2.452 20 0 GEADLO CNC(=O)[C@H]1CC[N@@H+](Cn2nc(Nc3cccc(OC)c3)sc2=S)C1 ZINC000817370702 653709152 /nfs/dbraw/zinc/70/91/52/653709152.db2.gz RYEMUFOEOYWAOV-NSHDSACASA-N 1 2 379.511 2.452 20 0 GEADLO COC(=O)c1scc(C)c1S(=O)(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000785488349 653710228 /nfs/dbraw/zinc/71/02/28/653710228.db2.gz SPAKGZXPGOISLL-UHFFFAOYSA-N 1 2 384.479 2.342 20 0 GEADLO Cn1nc(Br)cc1C[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000785501871 653710802 /nfs/dbraw/zinc/71/08/02/653710802.db2.gz DZIPXSHNJSRCJT-JTQLQIEISA-N 1 2 395.265 2.228 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000881269294 653723412 /nfs/dbraw/zinc/72/34/12/653723412.db2.gz OPKCBXXAGQNZPZ-VIFPVBQESA-N 1 2 394.229 2.187 20 0 GEADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)[C@@H](C)C1 ZINC000841516204 653725022 /nfs/dbraw/zinc/72/50/22/653725022.db2.gz QASKMYANELXAKN-WDEREUQCSA-N 1 2 389.930 2.025 20 0 GEADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)[C@@H](C)C1 ZINC000841516204 653725024 /nfs/dbraw/zinc/72/50/24/653725024.db2.gz QASKMYANELXAKN-WDEREUQCSA-N 1 2 389.930 2.025 20 0 GEADLO COC(=O)[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)[C@@H]1C ZINC000787248273 653735962 /nfs/dbraw/zinc/73/59/62/653735962.db2.gz XIPXVCYMCPCEOW-LYGAQUJYSA-N 1 2 385.873 2.009 20 0 GEADLO COC(=O)[C@@H]1CC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)[C@@H]1C ZINC000787248273 653735963 /nfs/dbraw/zinc/73/59/63/653735963.db2.gz XIPXVCYMCPCEOW-LYGAQUJYSA-N 1 2 385.873 2.009 20 0 GEADLO Cn1nc(Br)cc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000787277435 653736524 /nfs/dbraw/zinc/73/65/24/653736524.db2.gz WTLHHHIOMMGLNX-UHFFFAOYSA-N 1 2 379.306 2.490 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000841572684 653736591 /nfs/dbraw/zinc/73/65/91/653736591.db2.gz GDGIOAYWTNTTRL-NEPJUHHUSA-N 1 2 398.472 2.374 20 0 GEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)[C@@H](C)C[N@H+]1CCO ZINC000841572684 653736593 /nfs/dbraw/zinc/73/65/93/653736593.db2.gz GDGIOAYWTNTTRL-NEPJUHHUSA-N 1 2 398.472 2.374 20 0 GEADLO Cn1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n1 ZINC000787537118 653739863 /nfs/dbraw/zinc/73/98/63/653739863.db2.gz UNTIFOSGMDEEEJ-UHFFFAOYSA-N 1 2 392.301 2.116 20 0 GEADLO CNC(=O)C[NH+]1CCC(Nc2ccc([S@@](=N)(=O)C(F)(F)F)cc2)CC1 ZINC000881799093 653740265 /nfs/dbraw/zinc/74/02/65/653740265.db2.gz XSXQBYJTSIRJHL-RUZDIDTESA-N 1 2 378.420 2.234 20 0 GEADLO Cc1cc(F)ccc1[C@H](O)C[NH2+]Cc1nn(C)cc1I ZINC000819355163 653749792 /nfs/dbraw/zinc/74/97/92/653749792.db2.gz LQFIUDVTLSWCPC-CQSZACIVSA-N 1 2 389.212 2.295 20 0 GEADLO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)c2ccc(Br)s2)CC1 ZINC000819637250 653755104 /nfs/dbraw/zinc/75/51/04/653755104.db2.gz SOJHUPDGNJRZOH-UHFFFAOYSA-N 1 2 389.315 2.263 20 0 GEADLO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000881991791 653755813 /nfs/dbraw/zinc/75/58/13/653755813.db2.gz JOIZGADVGAAKQJ-RDBSUJKOSA-N 1 2 385.357 2.133 20 0 GEADLO O=S(=O)(CC[C@@H]1CC1(Cl)Cl)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000881991790 653755843 /nfs/dbraw/zinc/75/58/43/653755843.db2.gz JOIZGADVGAAKQJ-MGPQQGTHSA-N 1 2 385.357 2.133 20 0 GEADLO Cn1c[nH+]c(CCN2C(=O)[C@H](c3ccc(Br)s3)N(C)C2=O)c1 ZINC000865312923 653760288 /nfs/dbraw/zinc/76/02/88/653760288.db2.gz RJDOPMLBHLTKFC-LBPRGKRZSA-N 1 2 383.271 2.422 20 0 GEADLO COC(=O)c1sc(S(=O)(=O)NCC[NH+]2CCCCC2)c(C)c1Cl ZINC000788597393 653760267 /nfs/dbraw/zinc/76/02/67/653760267.db2.gz OVFBBFLICUEZSE-UHFFFAOYSA-N 1 2 380.919 2.261 20 0 GEADLO Fc1cccc(C[NH+]2CCN(c3ccc4nnc(Br)n4n3)CC2)c1 ZINC000882104330 653762609 /nfs/dbraw/zinc/76/26/09/653762609.db2.gz VJNIJVMKMXVZRW-UHFFFAOYSA-N 1 2 391.248 2.348 20 0 GEADLO Cc1n[nH]nc1C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000820042306 653765469 /nfs/dbraw/zinc/76/54/69/653765469.db2.gz CXECJLKWQMFHNC-UHFFFAOYSA-N 1 2 389.257 2.415 20 0 GEADLO Cc1ccnc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1Br ZINC000865482501 653766593 /nfs/dbraw/zinc/76/65/93/653766593.db2.gz YKSXXKBZORMVAP-AAEUAGOBSA-N 1 2 378.274 2.170 20 0 GEADLO Cc1ccnc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1Br ZINC000865542287 653768085 /nfs/dbraw/zinc/76/80/85/653768085.db2.gz UPUDEVOKHWUQRX-UHFFFAOYSA-N 1 2 399.310 2.208 20 0 GEADLO C[C@@H]1CCN(c2ccc(Br)cc2S(N)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000865611296 653769970 /nfs/dbraw/zinc/76/99/70/653769970.db2.gz IIHWRKLVHAERJL-RISCZKNCSA-N 1 2 399.314 2.381 20 0 GEADLO COc1nc(Br)ccc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000789374984 653772845 /nfs/dbraw/zinc/77/28/45/653772845.db2.gz ZDCSUVYHBSABSW-UHFFFAOYSA-N 1 2 387.278 2.085 20 0 GEADLO COc1nc(Br)ccc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000789374984 653772848 /nfs/dbraw/zinc/77/28/48/653772848.db2.gz ZDCSUVYHBSABSW-UHFFFAOYSA-N 1 2 387.278 2.085 20 0 GEADLO O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000865717890 653772853 /nfs/dbraw/zinc/77/28/53/653772853.db2.gz OGUQUQIKCUAEQV-VFQAQYNWSA-N 1 2 394.313 2.032 20 0 GEADLO c1nc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)sc1C1OCCO1 ZINC000865721066 653773020 /nfs/dbraw/zinc/77/30/20/653773020.db2.gz NQZHEZTYWLXSQI-UHFFFAOYSA-N 1 2 378.523 2.427 20 0 GEADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(Br)ccc1F ZINC000842960908 653774905 /nfs/dbraw/zinc/77/49/05/653774905.db2.gz DOBWAQOJHKCGOL-WCQYABFASA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(Br)ccc1F ZINC000842960908 653774907 /nfs/dbraw/zinc/77/49/07/653774907.db2.gz DOBWAQOJHKCGOL-WCQYABFASA-N 1 2 390.249 2.481 20 0 GEADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(OC)cc(Cl)c1F ZINC000842967688 653775453 /nfs/dbraw/zinc/77/54/53/653775453.db2.gz NWLNUBSJFUBXSF-AAEUAGOBSA-N 1 2 375.824 2.380 20 0 GEADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(OC)cc(Cl)c1F ZINC000842967688 653775458 /nfs/dbraw/zinc/77/54/58/653775458.db2.gz NWLNUBSJFUBXSF-AAEUAGOBSA-N 1 2 375.824 2.380 20 0 GEADLO C[C@H](c1cccs1)[N@H+](C)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820570069 653776966 /nfs/dbraw/zinc/77/69/66/653776966.db2.gz DCYLMAMHIHKHDC-GFCCVEGCSA-N 1 2 377.495 2.395 20 0 GEADLO C[C@H](c1cccs1)[N@@H+](C)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820570069 653776968 /nfs/dbraw/zinc/77/69/68/653776968.db2.gz DCYLMAMHIHKHDC-GFCCVEGCSA-N 1 2 377.495 2.395 20 0 GEADLO COc1cc(F)cc(C[NH2+]Cc2c(I)cnn2C)c1 ZINC000865869193 653778331 /nfs/dbraw/zinc/77/83/31/653778331.db2.gz ZXVFDKLCMIMLQI-UHFFFAOYSA-N 1 2 375.185 2.462 20 0 GEADLO CC[NH2+]Cc1noc(CCCS(=O)(=O)c2ccc(Br)cc2)n1 ZINC000843140693 653780375 /nfs/dbraw/zinc/78/03/75/653780375.db2.gz BIZZGLWBOAGVEO-UHFFFAOYSA-N 1 2 388.287 2.348 20 0 GEADLO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000820754089 653782135 /nfs/dbraw/zinc/78/21/35/653782135.db2.gz WAZDDNHIEBWJOK-UHFFFAOYSA-N 1 2 378.841 2.387 20 0 GEADLO Cc1cc(N2CC[C@@H]([NH2+]Cc3nc(Cl)ccc3Br)C2=O)n(C)n1 ZINC000820874413 653785583 /nfs/dbraw/zinc/78/55/83/653785583.db2.gz HPXHOJRHNHHJER-LLVKDONJSA-N 1 2 398.692 2.435 20 0 GEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)c1cc(Br)no1 ZINC000866089624 653785752 /nfs/dbraw/zinc/78/57/52/653785752.db2.gz ODQFNSCSCMLSFR-UHFFFAOYSA-N 1 2 383.271 2.315 20 0 GEADLO CN(C)c1[nH+]cnc2c1cc(C(=O)Nc1nc(Br)ccc1O)n2C ZINC000790047174 653785833 /nfs/dbraw/zinc/78/58/33/653785833.db2.gz ZEMNVPJQKUSBDZ-UHFFFAOYSA-N 1 2 391.229 2.150 20 0 GEADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(Br)c1Cl ZINC000790064744 653786482 /nfs/dbraw/zinc/78/64/82/653786482.db2.gz YHPHJPGWKPCTRQ-LLVKDONJSA-N 1 2 386.633 2.271 20 0 GEADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3scnc3Br)cc2C1 ZINC000790158633 653787507 /nfs/dbraw/zinc/78/75/07/653787507.db2.gz PAVMZCAOQMQGGF-UHFFFAOYSA-N 1 2 395.282 2.001 20 0 GEADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3scnc3Br)cc2C1 ZINC000790158633 653787509 /nfs/dbraw/zinc/78/75/09/653787509.db2.gz PAVMZCAOQMQGGF-UHFFFAOYSA-N 1 2 395.282 2.001 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)Cn2nnnc2-c2ccsc2)n1 ZINC000843770900 653793464 /nfs/dbraw/zinc/79/34/64/653793464.db2.gz DHUQTGYBINSPIA-UHFFFAOYSA-N 1 2 377.499 2.339 20 0 GEADLO CN1C(=O)CS/C1=C\C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000821319376 653794353 /nfs/dbraw/zinc/79/43/53/653794353.db2.gz WVLSLVGRPFLQCW-DKTUPHFTSA-N 1 2 383.876 2.387 20 0 GEADLO CN1C(=O)CS/C1=C\C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000821319376 653794358 /nfs/dbraw/zinc/79/43/58/653794358.db2.gz WVLSLVGRPFLQCW-DKTUPHFTSA-N 1 2 383.876 2.387 20 0 GEADLO CSc1ccccc1NC(=O)C[N@H+](C)CCn1cnc(Br)n1 ZINC000821355911 653795787 /nfs/dbraw/zinc/79/57/87/653795787.db2.gz YSYKMBPTMAQZLQ-UHFFFAOYSA-N 1 2 384.303 2.333 20 0 GEADLO CSc1ccccc1NC(=O)C[N@@H+](C)CCn1cnc(Br)n1 ZINC000821355911 653795789 /nfs/dbraw/zinc/79/57/89/653795789.db2.gz YSYKMBPTMAQZLQ-UHFFFAOYSA-N 1 2 384.303 2.333 20 0 GEADLO C[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(I)cc1 ZINC000821385269 653796799 /nfs/dbraw/zinc/79/67/99/653796799.db2.gz JZJVYARJESUKQO-ZWNOBZJWSA-N 1 2 381.217 2.332 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000882735478 653801444 /nfs/dbraw/zinc/80/14/44/653801444.db2.gz IPGOSPNTGABGLQ-OAHLLOKOSA-N 1 2 391.269 2.185 20 0 GEADLO CC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)C(=O)OC ZINC000790956484 653801717 /nfs/dbraw/zinc/80/17/17/653801717.db2.gz QBFDPDCICLDLKE-ZDUSSCGKSA-N 1 2 398.301 2.339 20 0 GEADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000844138734 653802355 /nfs/dbraw/zinc/80/23/55/653802355.db2.gz JNGCCLVUMXLPAH-GJZGRUSLSA-N 1 2 392.253 2.033 20 0 GEADLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000882764642 653805606 /nfs/dbraw/zinc/80/56/06/653805606.db2.gz ADTOQHQWXOJWTL-DZGCQCFKSA-N 1 2 388.917 2.128 20 0 GEADLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000882764642 653805608 /nfs/dbraw/zinc/80/56/08/653805608.db2.gz ADTOQHQWXOJWTL-DZGCQCFKSA-N 1 2 388.917 2.128 20 0 GEADLO O=C(NCCC[C@@H]1CC1(Cl)Cl)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000844551037 653808642 /nfs/dbraw/zinc/80/86/42/653808642.db2.gz JYWQCMBQEQKCGO-CYBMUJFWSA-N 1 2 390.315 2.311 20 0 GEADLO O=C(NCCC[C@H]1CC1(Cl)Cl)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000844551039 653808663 /nfs/dbraw/zinc/80/86/63/653808663.db2.gz JYWQCMBQEQKCGO-ZDUSSCGKSA-N 1 2 390.315 2.311 20 0 GEADLO CN(C(=O)c1cc(Br)[nH]n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000791346562 653810072 /nfs/dbraw/zinc/81/00/72/653810072.db2.gz WWCIERYRVIMGHT-UHFFFAOYSA-N 1 2 392.301 2.346 20 0 GEADLO C[C@@H](C[N@H+](C)Cc1cn(C)nc1I)C(=O)OC(C)(C)C ZINC000894985546 653810946 /nfs/dbraw/zinc/81/09/46/653810946.db2.gz QQKPWKACXNSCCP-JTQLQIEISA-N 1 2 393.269 2.434 20 0 GEADLO C[C@@H](C[N@@H+](C)Cc1cn(C)nc1I)C(=O)OC(C)(C)C ZINC000894985546 653810948 /nfs/dbraw/zinc/81/09/48/653810948.db2.gz QQKPWKACXNSCCP-JTQLQIEISA-N 1 2 393.269 2.434 20 0 GEADLO O[C@@H]1CCOC[C@H]1Nc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC000894990587 653811326 /nfs/dbraw/zinc/81/13/26/653811326.db2.gz GGHVZCMVRHTVFK-ZIAGYGMSSA-N 1 2 390.241 2.140 20 0 GEADLO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)nc1F ZINC000866762709 653821030 /nfs/dbraw/zinc/82/10/30/653821030.db2.gz ZQCWVXKQDBVEJI-GFCCVEGCSA-N 1 2 385.848 2.218 20 0 GEADLO O=S(=O)(c1ccc2onc(Cl)c2c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000866762402 653821177 /nfs/dbraw/zinc/82/11/77/653821177.db2.gz QSJUMHZWUXQTTR-AWEZNQCLSA-N 1 2 378.841 2.211 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883027052 653822804 /nfs/dbraw/zinc/82/28/04/653822804.db2.gz NRIUJICSWFSMPZ-NXEZZACHSA-N 1 2 391.225 2.256 20 0 GEADLO Cn1c[nH+]cc1CCC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000883027297 653823081 /nfs/dbraw/zinc/82/30/81/653823081.db2.gz XBXVLKQDGMPZPD-UHFFFAOYSA-N 1 2 379.214 2.085 20 0 GEADLO COc1ccc(F)c(C[NH2+]Cc2cn(C)nc2I)c1 ZINC000895378683 653831161 /nfs/dbraw/zinc/83/11/61/653831161.db2.gz RWJNSXPZIUSGKT-UHFFFAOYSA-N 1 2 375.185 2.462 20 0 GEADLO COC(=O)COc1ccccc1C[N@@H+]1CCn2ncc(Br)c2C1 ZINC000895427439 653834280 /nfs/dbraw/zinc/83/42/80/653834280.db2.gz SXZOTSLQUOCZIB-UHFFFAOYSA-N 1 2 380.242 2.213 20 0 GEADLO COC(=O)COc1ccccc1C[N@H+]1CCn2ncc(Br)c2C1 ZINC000895427439 653834282 /nfs/dbraw/zinc/83/42/82/653834282.db2.gz SXZOTSLQUOCZIB-UHFFFAOYSA-N 1 2 380.242 2.213 20 0 GEADLO C[NH+](C)Cc1csc(CNc2ccc(C(=O)Nc3nncs3)cn2)n1 ZINC000895483771 653837667 /nfs/dbraw/zinc/83/76/67/653837667.db2.gz AWPOINXISCGCDQ-UHFFFAOYSA-N 1 2 375.483 2.316 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)s1 ZINC000822828268 653841921 /nfs/dbraw/zinc/84/19/21/653841921.db2.gz YIUYKKTYZQDJGP-QGZVFWFLSA-N 1 2 384.498 2.231 20 0 GEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)s1 ZINC000822828268 653841923 /nfs/dbraw/zinc/84/19/23/653841923.db2.gz YIUYKKTYZQDJGP-QGZVFWFLSA-N 1 2 384.498 2.231 20 0 GEADLO CN1C(=S)N=NC1Cc1csc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000895625458 653843699 /nfs/dbraw/zinc/84/36/99/653843699.db2.gz GOTYSWMTDYHSLJ-GFCCVEGCSA-N 1 2 378.527 2.107 20 0 GEADLO CN1C(=S)N=NC1Cc1csc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)n1 ZINC000895625458 653843703 /nfs/dbraw/zinc/84/37/03/653843703.db2.gz GOTYSWMTDYHSLJ-GFCCVEGCSA-N 1 2 378.527 2.107 20 0 GEADLO CN(C(=O)c1ccc2c(Br)cnn2c1)C(C)(C)C[NH+]1CCOCC1 ZINC000822861830 653843704 /nfs/dbraw/zinc/84/37/04/653843704.db2.gz OLMOHZYMFPJSQU-UHFFFAOYSA-N 1 2 395.301 2.280 20 0 GEADLO COc1nc(Br)ccc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000822906114 653845403 /nfs/dbraw/zinc/84/54/03/653845403.db2.gz CFBNYYCIGRRAMU-WDEREUQCSA-N 1 2 387.278 2.083 20 0 GEADLO COc1nc(Br)ccc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000822906114 653845407 /nfs/dbraw/zinc/84/54/07/653845407.db2.gz CFBNYYCIGRRAMU-WDEREUQCSA-N 1 2 387.278 2.083 20 0 GEADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000895703054 653846674 /nfs/dbraw/zinc/84/66/74/653846674.db2.gz XUSYCURSBRHCNH-CQSZACIVSA-N 1 2 380.185 2.160 20 0 GEADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000895703054 653846679 /nfs/dbraw/zinc/84/66/79/653846679.db2.gz XUSYCURSBRHCNH-CQSZACIVSA-N 1 2 380.185 2.160 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000866903293 653847012 /nfs/dbraw/zinc/84/70/12/653847012.db2.gz JXPOKQSYYIWIAZ-QGZVFWFLSA-N 1 2 387.571 2.335 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000866903293 653847014 /nfs/dbraw/zinc/84/70/14/653847014.db2.gz JXPOKQSYYIWIAZ-QGZVFWFLSA-N 1 2 387.571 2.335 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000866903290 653847078 /nfs/dbraw/zinc/84/70/78/653847078.db2.gz JXPOKQSYYIWIAZ-KRWDZBQOSA-N 1 2 387.571 2.335 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000866903290 653847081 /nfs/dbraw/zinc/84/70/81/653847081.db2.gz JXPOKQSYYIWIAZ-KRWDZBQOSA-N 1 2 387.571 2.335 20 0 GEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(Br)n1 ZINC000792956183 653857626 /nfs/dbraw/zinc/85/76/26/653857626.db2.gz LLJPUTRIYBMUDZ-NSHDSACASA-N 1 2 394.273 2.210 20 0 GEADLO O=C(Cn1cc(C[NH+]2CCC(O)CC2)nn1)Nc1ccc(Cl)c(Cl)c1 ZINC000883992619 653860008 /nfs/dbraw/zinc/86/00/08/653860008.db2.gz XOXGELMNMMJMFK-UHFFFAOYSA-N 1 2 384.267 2.180 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000793252894 653872520 /nfs/dbraw/zinc/87/25/20/653872520.db2.gz KCLYVMWUIIBZJY-GFCCVEGCSA-N 1 2 392.253 2.321 20 0 GEADLO Cn1c[nH+]cc1CCOC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000793258154 653872951 /nfs/dbraw/zinc/87/29/51/653872951.db2.gz JIEFEOOMGPJWCT-UHFFFAOYSA-N 1 2 381.226 2.282 20 0 GEADLO NS(=O)(=O)C[C@@H]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)C1 ZINC000896398351 653877891 /nfs/dbraw/zinc/87/78/91/653877891.db2.gz JRABXKJLEIMZLW-SECBINFHSA-N 1 2 388.262 2.251 20 0 GEADLO C[C@H](NC(=O)Cc1c(F)ccc(Br)c1F)[C@H]1CN(C)CC[N@@H+]1C ZINC000896541528 653883557 /nfs/dbraw/zinc/88/35/57/653883557.db2.gz KNKXHMZIYFDEAX-IINYFYTJSA-N 1 2 390.272 2.020 20 0 GEADLO C[C@H](NC(=O)Cc1c(F)ccc(Br)c1F)[C@H]1CN(C)CC[N@H+]1C ZINC000896541528 653883561 /nfs/dbraw/zinc/88/35/61/653883561.db2.gz KNKXHMZIYFDEAX-IINYFYTJSA-N 1 2 390.272 2.020 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896551367 653885148 /nfs/dbraw/zinc/88/51/48/653885148.db2.gz YOJOJQZQFYDPPV-JKIFEVAISA-N 1 2 382.346 2.378 20 0 GEADLO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896551367 653885150 /nfs/dbraw/zinc/88/51/50/653885150.db2.gz YOJOJQZQFYDPPV-JKIFEVAISA-N 1 2 382.346 2.378 20 0 GEADLO CCCNc1cc(N2CCn3ncc(I)c3C2)nc[nH+]1 ZINC000896602045 653887396 /nfs/dbraw/zinc/88/73/96/653887396.db2.gz JCSJHOQTOYMGJZ-UHFFFAOYSA-N 1 2 384.225 2.120 20 0 GEADLO CCCNc1cc(N2CCn3ncc(I)c3C2)[nH+]cn1 ZINC000896602045 653887399 /nfs/dbraw/zinc/88/73/99/653887399.db2.gz JCSJHOQTOYMGJZ-UHFFFAOYSA-N 1 2 384.225 2.120 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000867206496 653894276 /nfs/dbraw/zinc/89/42/76/653894276.db2.gz RYDWPNCNPHXOEA-UHFFFAOYSA-N 1 2 388.559 2.151 20 0 GEADLO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000824451326 653895485 /nfs/dbraw/zinc/89/54/85/653895485.db2.gz SNYOIMVYJOWFMC-LBPRGKRZSA-N 1 2 379.258 2.371 20 0 GEADLO O=C1OCCN1C[C@H]1CC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000824451326 653895489 /nfs/dbraw/zinc/89/54/89/653895489.db2.gz SNYOIMVYJOWFMC-LBPRGKRZSA-N 1 2 379.258 2.371 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000867223819 653897819 /nfs/dbraw/zinc/89/78/19/653897819.db2.gz WGIYIBLBQRILFA-KRWDZBQOSA-N 1 2 387.571 2.241 20 0 GEADLO CCS(=O)(CC)=NS(=O)(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000867223819 653897821 /nfs/dbraw/zinc/89/78/21/653897821.db2.gz WGIYIBLBQRILFA-KRWDZBQOSA-N 1 2 387.571 2.241 20 0 GEADLO Cn1c[nH+]cc1CC(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000884969000 653900804 /nfs/dbraw/zinc/90/08/04/653900804.db2.gz SEDUDWSDRSXCHW-QGZVFWFLSA-N 1 2 378.270 2.235 20 0 GEADLO COCCOc1ccc(Br)cc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867256413 653903393 /nfs/dbraw/zinc/90/33/93/653903393.db2.gz VUTJGSFSKRQTOO-NSCUHMNNSA-N 1 2 399.285 2.301 20 0 GEADLO COCCOCC[NH+]1CCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000846617928 653904829 /nfs/dbraw/zinc/90/48/29/653904829.db2.gz XYKYYOAVJISNOJ-UHFFFAOYSA-N 1 2 375.296 2.343 20 0 GEADLO O=c1[nH]c(CN2CC[NH+](CC3(Br)CC3)CC2)nc2ccccc12 ZINC000846818529 653910891 /nfs/dbraw/zinc/91/08/91/653910891.db2.gz VINFYWBCAWZPGR-UHFFFAOYSA-N 1 2 377.286 2.381 20 0 GEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCc1ccc(Br)cc1 ZINC000897235998 653912326 /nfs/dbraw/zinc/91/23/26/653912326.db2.gz WKVUXGOFQIQTHO-HNNXBMFYSA-N 1 2 394.269 2.395 20 0 GEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCc1ccc(Br)cc1 ZINC000897235998 653912329 /nfs/dbraw/zinc/91/23/29/653912329.db2.gz WKVUXGOFQIQTHO-HNNXBMFYSA-N 1 2 394.269 2.395 20 0 GEADLO O=c1oc2cccc(Br)c2n1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000794635574 653914827 /nfs/dbraw/zinc/91/48/27/653914827.db2.gz DQATVQGAIBEAMY-GFCCVEGCSA-N 1 2 392.257 2.318 20 0 GEADLO O=c1oc2cccc(Br)c2n1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000794635574 653914829 /nfs/dbraw/zinc/91/48/29/653914829.db2.gz DQATVQGAIBEAMY-GFCCVEGCSA-N 1 2 392.257 2.318 20 0 GEADLO COC(=O)[C@H]1[C@H](C[NH2+]C2(c3ncc(Br)cn3)CCC2)C1(F)F ZINC000897351363 653917336 /nfs/dbraw/zinc/91/73/36/653917336.db2.gz CPJVNOCXRHFLBM-VHSXEESVSA-N 1 2 376.201 2.262 20 0 GEADLO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000897353051 653917572 /nfs/dbraw/zinc/91/75/72/653917572.db2.gz XTJROLXHZFMODR-ZIAGYGMSSA-N 1 2 381.263 2.051 20 0 GEADLO COc1cc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Br ZINC000847176247 653919343 /nfs/dbraw/zinc/91/93/43/653919343.db2.gz ANQBEBSSJZRYOS-UTUOFQBUSA-N 1 2 386.290 2.080 20 0 GEADLO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Br ZINC000847176247 653919348 /nfs/dbraw/zinc/91/93/48/653919348.db2.gz ANQBEBSSJZRYOS-UTUOFQBUSA-N 1 2 386.290 2.080 20 0 GEADLO Cc1ccc(Br)c(OS(=O)(=O)CCC[NH+]2CCN(C)CC2)c1 ZINC000867373293 653924349 /nfs/dbraw/zinc/92/43/49/653924349.db2.gz VUWOECQZNBBHHJ-UHFFFAOYSA-N 1 2 391.331 2.104 20 0 GEADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NCc1cscc1Cl ZINC000897536395 653926197 /nfs/dbraw/zinc/92/61/97/653926197.db2.gz URKKPJPVYVVWBW-UHFFFAOYSA-N 1 2 383.926 2.254 20 0 GEADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NCc1cscc1Cl ZINC000897536395 653926200 /nfs/dbraw/zinc/92/62/00/653926200.db2.gz URKKPJPVYVVWBW-UHFFFAOYSA-N 1 2 383.926 2.254 20 0 GEADLO O=C1NCCN1CC1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000897583308 653928745 /nfs/dbraw/zinc/92/87/45/653928745.db2.gz SEWHVPALQXVRGU-UHFFFAOYSA-N 1 2 392.301 2.334 20 0 GEADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000795075006 653929000 /nfs/dbraw/zinc/92/90/00/653929000.db2.gz ZWSVTCBQPBPRQG-NSHDSACASA-N 1 2 398.282 2.387 20 0 GEADLO C[C@H]1C[C@@H](NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000847556795 653934202 /nfs/dbraw/zinc/93/42/02/653934202.db2.gz IRJXXTVTEIQYEE-WDEREUQCSA-N 1 2 376.400 2.335 20 0 GEADLO C[C@H]1C[C@@H](NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C[N@H+]1C1CC1 ZINC000847556795 653934208 /nfs/dbraw/zinc/93/42/08/653934208.db2.gz IRJXXTVTEIQYEE-WDEREUQCSA-N 1 2 376.400 2.335 20 0 GEADLO Cc1nc(Cl)c(Cl)cc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000847572418 653935397 /nfs/dbraw/zinc/93/53/97/653935397.db2.gz GYOZEMCFXAOGQN-ZDUSSCGKSA-N 1 2 388.295 2.260 20 0 GEADLO CCCCn1c(SCCS(=O)(=O)N(C)C)nnc1[C@H](CC)[NH+](C)C ZINC000795185577 653937844 /nfs/dbraw/zinc/93/78/44/653937844.db2.gz PRUAVZGBPGWFRC-ZDUSSCGKSA-N 1 2 377.580 2.074 20 0 GEADLO COc1cc(OC)c(NC(=O)/C=C/C[NH+]2CCOCC2)cc1Br ZINC000867531262 653946858 /nfs/dbraw/zinc/94/68/58/653946858.db2.gz UMXHCZQEBPWHEJ-ONEGZZNKSA-N 1 2 385.258 2.293 20 0 GEADLO O=C1CCC2=C(CC[N@@H+](Cc3cn(-c4ccccc4Br)nn3)C2)N1 ZINC000826785148 653960343 /nfs/dbraw/zinc/96/03/43/653960343.db2.gz PSUTZABFSSDGHL-UHFFFAOYSA-N 1 2 388.269 2.400 20 0 GEADLO O=C1CCC2=C(CC[N@H+](Cc3cn(-c4ccccc4Br)nn3)C2)N1 ZINC000826785148 653960345 /nfs/dbraw/zinc/96/03/45/653960345.db2.gz PSUTZABFSSDGHL-UHFFFAOYSA-N 1 2 388.269 2.400 20 0 GEADLO C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CC(C)(C)OC1=O ZINC000795709909 653963826 /nfs/dbraw/zinc/96/38/26/653963826.db2.gz LUQWQWJBSGEGGN-GXTWGEPZSA-N 1 2 390.249 2.354 20 0 GEADLO C[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CC(C)(C)OC1=O ZINC000795709909 653963828 /nfs/dbraw/zinc/96/38/28/653963828.db2.gz LUQWQWJBSGEGGN-GXTWGEPZSA-N 1 2 390.249 2.354 20 0 GEADLO C[C@@H]1C[N@@H+](Cc2cnc(N3CCOCC3)s2)C[C@H](C)N1CC(F)(F)F ZINC000898471607 653971881 /nfs/dbraw/zinc/97/18/81/653971881.db2.gz UKUNCJWMALNCTD-BETUJISGSA-N 1 2 378.464 2.437 20 0 GEADLO C[C@@H]1C[N@H+](Cc2cnc(N3CCOCC3)s2)C[C@H](C)N1CC(F)(F)F ZINC000898471607 653971885 /nfs/dbraw/zinc/97/18/85/653971885.db2.gz UKUNCJWMALNCTD-BETUJISGSA-N 1 2 378.464 2.437 20 0 GEADLO Cc1ccc(C[N@@H+]2CC[C@H](NS(=O)(=O)c3nc[nH]c3Br)C2)cc1 ZINC000867690680 653973552 /nfs/dbraw/zinc/97/35/52/653973552.db2.gz WQRGDBLXNPMYKC-ZDUSSCGKSA-N 1 2 399.314 2.033 20 0 GEADLO Cc1ccc(C[N@H+]2CC[C@H](NS(=O)(=O)c3nc[nH]c3Br)C2)cc1 ZINC000867690680 653973555 /nfs/dbraw/zinc/97/35/55/653973555.db2.gz WQRGDBLXNPMYKC-ZDUSSCGKSA-N 1 2 399.314 2.033 20 0 GEADLO COC(=O)c1cc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c(F)cc1Cl ZINC000795886910 653975279 /nfs/dbraw/zinc/97/52/79/653975279.db2.gz ACXKHOHWCJVACA-UHFFFAOYSA-N 1 2 389.836 2.173 20 0 GEADLO CC(=O)N[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)c1cccc(Br)c1 ZINC000898810625 653987258 /nfs/dbraw/zinc/98/72/58/653987258.db2.gz MUGWSAZNQRAKMW-HIFRSBDPSA-N 1 2 377.242 2.084 20 0 GEADLO CC(C)(CNC(=O)c1cc(Cn2cc(Br)cn2)on1)n1cc[nH+]c1 ZINC000898904907 653991682 /nfs/dbraw/zinc/99/16/82/653991682.db2.gz NCJZCYJSVSTULD-UHFFFAOYSA-N 1 2 393.245 2.044 20 0 GEADLO CN(C)Cc1cnc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)s1 ZINC000796311096 653995493 /nfs/dbraw/zinc/99/54/93/653995493.db2.gz SSJABRANOWXRPN-CQSZACIVSA-N 1 2 383.901 2.453 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)C1(c2cccc(Br)c2)CC1 ZINC000899055705 653997049 /nfs/dbraw/zinc/99/70/49/653997049.db2.gz QPSHSWDQAKRZRT-UHFFFAOYSA-N 1 2 395.297 2.046 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)C1(c2cccc(Br)c2)CC1 ZINC000899055705 653997052 /nfs/dbraw/zinc/99/70/52/653997052.db2.gz QPSHSWDQAKRZRT-UHFFFAOYSA-N 1 2 395.297 2.046 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cc(-c2ccc(Cl)s2)on1 ZINC000899055556 653997219 /nfs/dbraw/zinc/99/72/19/653997219.db2.gz OPVPXWLHZVUTNB-UHFFFAOYSA-N 1 2 383.857 2.235 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cc(-c2ccc(Cl)s2)on1 ZINC000899055556 653997222 /nfs/dbraw/zinc/99/72/22/653997222.db2.gz OPVPXWLHZVUTNB-UHFFFAOYSA-N 1 2 383.857 2.235 20 0 GEADLO C[C@H](C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)c1ccc(Br)s1 ZINC000899059134 653997569 /nfs/dbraw/zinc/99/75/69/653997569.db2.gz DBGLNRWAECICAV-NSHDSACASA-N 1 2 389.315 2.179 20 0 GEADLO C[C@H](C(=O)NCC[N@H+]1CCC2(C1)OCCO2)c1ccc(Br)s1 ZINC000899059134 653997572 /nfs/dbraw/zinc/99/75/72/653997572.db2.gz DBGLNRWAECICAV-NSHDSACASA-N 1 2 389.315 2.179 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899060730 653997974 /nfs/dbraw/zinc/99/79/74/653997974.db2.gz ZNNQRLSPTTZBRQ-AWEZNQCLSA-N 1 2 397.313 2.193 20 0 GEADLO C[C@@H](Cc1ccc(Br)cc1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899060730 653997977 /nfs/dbraw/zinc/99/79/77/653997977.db2.gz ZNNQRLSPTTZBRQ-AWEZNQCLSA-N 1 2 397.313 2.193 20 0 GEADLO Cc1ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c(C)c1Br ZINC000899061270 653998013 /nfs/dbraw/zinc/99/80/13/653998013.db2.gz ARLDFXAIYVJAOT-UHFFFAOYSA-N 1 2 383.286 2.245 20 0 GEADLO Cc1ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c(C)c1Br ZINC000899061270 653998017 /nfs/dbraw/zinc/99/80/17/653998017.db2.gz ARLDFXAIYVJAOT-UHFFFAOYSA-N 1 2 383.286 2.245 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1ccc(OC(F)F)c(Cl)c1 ZINC000899066616 653998298 /nfs/dbraw/zinc/99/82/98/653998298.db2.gz ZUSKGCANUPZHJH-UHFFFAOYSA-N 1 2 376.787 2.120 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1ccc(OC(F)F)c(Cl)c1 ZINC000899066616 653998303 /nfs/dbraw/zinc/99/83/03/653998303.db2.gz ZUSKGCANUPZHJH-UHFFFAOYSA-N 1 2 376.787 2.120 20 0 GEADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000899064059 653998476 /nfs/dbraw/zinc/99/84/76/653998476.db2.gz PHTNQAXZRUICRD-JKSUJKDBSA-N 1 2 395.297 2.118 20 0 GEADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000899064059 653998480 /nfs/dbraw/zinc/99/84/80/653998480.db2.gz PHTNQAXZRUICRD-JKSUJKDBSA-N 1 2 395.297 2.118 20 0 GEADLO O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000867910802 654006444 /nfs/dbraw/zinc/00/64/44/654006444.db2.gz AYIVBGGUZOBODC-DZGCQCFKSA-N 1 2 379.258 2.309 20 0 GEADLO Cn1c[nH+]cc1CCS(=O)(=O)c1nnc2c(Cl)cc(C(F)(F)F)cn21 ZINC000899478138 654017286 /nfs/dbraw/zinc/01/72/86/654017286.db2.gz LLQAKANEHQNYHG-UHFFFAOYSA-N 1 2 393.778 2.151 20 0 GEADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000828027450 654017310 /nfs/dbraw/zinc/01/73/10/654017310.db2.gz ROBCRNZHHMRAPR-QJPTWQEYSA-N 1 2 376.254 2.406 20 0 GEADLO CNC(=O)[C@]1(C)CC[N@H+](Cn2nc(C)n(CCc3cccs3)c2=S)C1 ZINC000797414175 654030521 /nfs/dbraw/zinc/03/05/21/654030521.db2.gz MDSJIPWCLKIPEM-QGZVFWFLSA-N 1 2 379.555 2.442 20 0 GEADLO CNC(=O)[C@]1(C)CC[N@@H+](Cn2nc(C)n(CCc3cccs3)c2=S)C1 ZINC000797414175 654030526 /nfs/dbraw/zinc/03/05/26/654030526.db2.gz MDSJIPWCLKIPEM-QGZVFWFLSA-N 1 2 379.555 2.442 20 0 GEADLO C[C@H](CNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000828402780 654035113 /nfs/dbraw/zinc/03/51/13/654035113.db2.gz GBQNZLZNGCUEBO-LLVKDONJSA-N 1 2 375.372 2.243 20 0 GEADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N[C@@H]1COc2cccc(Br)c2C1 ZINC000868521385 654041172 /nfs/dbraw/zinc/04/11/72/654041172.db2.gz WRQVJJYTUSOYFJ-RYUDHWBXSA-N 1 2 391.269 2.263 20 0 GEADLO C/C(=C/C(=O)Nc1cc2c(cc1Br)OCCO2)C[NH+]1CCOCC1 ZINC000900038195 654047316 /nfs/dbraw/zinc/04/73/16/654047316.db2.gz DGICMKUGGPEWBV-WQLSENKSSA-N 1 2 397.269 2.437 20 0 GEADLO Cc1cc(C)c(CNC(=O)NCc2c(I)cnn2C)c[nH+]1 ZINC000868686221 654049964 /nfs/dbraw/zinc/04/99/64/654049964.db2.gz UEJLPRHHIGWKFE-UHFFFAOYSA-N 1 2 399.236 2.036 20 0 GEADLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)c1 ZINC000868692159 654050485 /nfs/dbraw/zinc/05/04/85/654050485.db2.gz DGRLEFWIQNUAKE-OWCLPIDISA-N 1 2 375.270 2.363 20 0 GEADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(Br)c2nccnc2c1 ZINC000828926810 654055130 /nfs/dbraw/zinc/05/51/30/654055130.db2.gz ASYYRHLEKFPRMB-ZDUSSCGKSA-N 1 2 393.285 2.233 20 0 GEADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(Br)c2nccnc2c1 ZINC000828926810 654055132 /nfs/dbraw/zinc/05/51/32/654055132.db2.gz ASYYRHLEKFPRMB-ZDUSSCGKSA-N 1 2 393.285 2.233 20 0 GEADLO C[N@H+](CC[S@@](C)=O)Cc1cccc(Br)c1OCC(C)(C)O ZINC000829140710 654060710 /nfs/dbraw/zinc/06/07/10/654060710.db2.gz TYFLARHKGQHMMQ-OAQYLSRUSA-N 1 2 378.332 2.409 20 0 GEADLO C[N@@H+](CC[S@@](C)=O)Cc1cccc(Br)c1OCC(C)(C)O ZINC000829140710 654060712 /nfs/dbraw/zinc/06/07/12/654060712.db2.gz TYFLARHKGQHMMQ-OAQYLSRUSA-N 1 2 378.332 2.409 20 0 GEADLO Clc1cc2c(nn1)CN(CCC[N@@H+]1CCc3cc(Cl)nnc3C1)CC2 ZINC000829161909 654061099 /nfs/dbraw/zinc/06/10/99/654061099.db2.gz BHDICNKVCORLRF-UHFFFAOYSA-N 1 2 379.295 2.380 20 0 GEADLO Clc1cc2c(nn1)CN(CCC[N@H+]1CCc3cc(Cl)nnc3C1)CC2 ZINC000829161909 654061103 /nfs/dbraw/zinc/06/11/03/654061103.db2.gz BHDICNKVCORLRF-UHFFFAOYSA-N 1 2 379.295 2.380 20 0 GEADLO C[C@H](Cn1cncn1)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000850464586 654078418 /nfs/dbraw/zinc/07/84/18/654078418.db2.gz VLLDRNZGIJZTQA-CYBMUJFWSA-N 1 2 379.306 2.293 20 0 GEADLO C[C@H](NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900809897 654082162 /nfs/dbraw/zinc/08/21/62/654082162.db2.gz FIQUJIYUBWGZGY-GXFFZTMASA-N 1 2 378.826 2.047 20 0 GEADLO C[C@H](NC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1)[C@H]1CN(C)CC[N@H+]1C ZINC000900809897 654082165 /nfs/dbraw/zinc/08/21/65/654082165.db2.gz FIQUJIYUBWGZGY-GXFFZTMASA-N 1 2 378.826 2.047 20 0 GEADLO C[N@H+](C[C@H](O)c1ccc(F)cn1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000799311816 654091342 /nfs/dbraw/zinc/09/13/42/654091342.db2.gz FRDNHXAFAKWSAG-LSDHHAIUSA-N 1 2 382.233 2.175 20 0 GEADLO C[N@@H+](C[C@H](O)c1ccc(F)cn1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000799311816 654091351 /nfs/dbraw/zinc/09/13/51/654091351.db2.gz FRDNHXAFAKWSAG-LSDHHAIUSA-N 1 2 382.233 2.175 20 0 GEADLO C[N@H+](C[C@@H](O)c1ccc(F)cn1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000799311813 654091443 /nfs/dbraw/zinc/09/14/43/654091443.db2.gz FRDNHXAFAKWSAG-CABCVRRESA-N 1 2 382.233 2.175 20 0 GEADLO C[N@@H+](C[C@@H](O)c1ccc(F)cn1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000799311813 654091451 /nfs/dbraw/zinc/09/14/51/654091451.db2.gz FRDNHXAFAKWSAG-CABCVRRESA-N 1 2 382.233 2.175 20 0 GEADLO O=C(N[C@H](CO)c1ccc(Br)cc1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000916508497 654097712 /nfs/dbraw/zinc/09/77/12/654097712.db2.gz HDQJTVOUXDNGIL-IAGOWNOFSA-N 1 2 397.313 2.242 20 0 GEADLO O=C(N[C@H](CO)c1ccc(Br)cc1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000916508497 654097715 /nfs/dbraw/zinc/09/77/15/654097715.db2.gz HDQJTVOUXDNGIL-IAGOWNOFSA-N 1 2 397.313 2.242 20 0 GEADLO C[C@H]1C[N@H+](CCOC(=O)c2c3ccc(Br)cc3nn2C)CCO1 ZINC000830673498 654134944 /nfs/dbraw/zinc/13/49/44/654134944.db2.gz DCIYTEOCPLUDAQ-NSHDSACASA-N 1 2 382.258 2.213 20 0 GEADLO C[C@H]1C[N@@H+](CCOC(=O)c2c3ccc(Br)cc3nn2C)CCO1 ZINC000830673498 654134948 /nfs/dbraw/zinc/13/49/48/654134948.db2.gz DCIYTEOCPLUDAQ-NSHDSACASA-N 1 2 382.258 2.213 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1c2ccc(Br)cc2nn1C ZINC000830675661 654135353 /nfs/dbraw/zinc/13/53/53/654135353.db2.gz ZENNYIYZYDTTCG-LLVKDONJSA-N 1 2 382.258 2.213 20 0 GEADLO O=C(CCSc1ccc(Cl)cc1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870075017 654142544 /nfs/dbraw/zinc/14/25/44/654142544.db2.gz DJUPDFDMYCFXTA-MRXNPFEDSA-N 1 2 384.929 2.382 20 0 GEADLO COc1cccc([C@@H]2CN(C(=O)c3cc[nH]c(=O)c3Br)CC[NH2+]2)c1 ZINC000870152589 654146872 /nfs/dbraw/zinc/14/68/72/654146872.db2.gz KHFZIYRBPUNQHT-AWEZNQCLSA-N 1 2 392.253 2.345 20 0 GEADLO COc1cccc([C@H]2CN(C(=O)c3cc(Br)c[nH]c3=O)CC[NH2+]2)c1 ZINC000870155068 654146912 /nfs/dbraw/zinc/14/69/12/654146912.db2.gz SGRARCGXWPHGMF-OAHLLOKOSA-N 1 2 392.253 2.345 20 0 GEADLO CC(F)(F)CCCS(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000918852030 654164127 /nfs/dbraw/zinc/16/41/27/654164127.db2.gz GIMVJVSABPPSMJ-UHFFFAOYSA-N 1 2 379.498 2.490 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)CCn1cnc(Br)n1 ZINC000851776807 654176578 /nfs/dbraw/zinc/17/65/78/654176578.db2.gz AXWPNFHNJZUAHV-CQSZACIVSA-N 1 2 381.274 2.147 20 0 GEADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)CCn1cnc(Br)n1 ZINC000851776807 654176582 /nfs/dbraw/zinc/17/65/82/654176582.db2.gz AXWPNFHNJZUAHV-CQSZACIVSA-N 1 2 381.274 2.147 20 0 GEADLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(S(N)(=O)=O)ccc2C)n1 ZINC000919756197 654191661 /nfs/dbraw/zinc/19/16/61/654191661.db2.gz HHPAKRICQHTSGT-UHFFFAOYSA-N 1 2 382.511 2.193 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000890043437 654194046 /nfs/dbraw/zinc/19/40/46/654194046.db2.gz KXPXDCAURFGRQY-JTQLQIEISA-N 1 2 395.232 2.276 20 0 GEADLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000801457414 654196222 /nfs/dbraw/zinc/19/62/22/654196222.db2.gz ILRUSOYHNBZUKB-SWLSCSKDSA-N 1 2 388.917 2.420 20 0 GEADLO C[C@@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000851952561 654207761 /nfs/dbraw/zinc/20/77/61/654207761.db2.gz NEUTXQOTYAZXHO-FTJNGKRUSA-N 1 2 397.488 2.105 20 0 GEADLO C[C@@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)[N@H+]1CCc2sccc2C1 ZINC000851952561 654207764 /nfs/dbraw/zinc/20/77/64/654207764.db2.gz NEUTXQOTYAZXHO-FTJNGKRUSA-N 1 2 397.488 2.105 20 0 GEADLO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000851967272 654209347 /nfs/dbraw/zinc/20/93/47/654209347.db2.gz YOSLZUZLODVBCZ-CJNGLKHVSA-N 1 2 375.358 2.138 20 0 GEADLO CCOP(=O)(OCC)[C@H](O)C[N@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000851967272 654209355 /nfs/dbraw/zinc/20/93/55/654209355.db2.gz YOSLZUZLODVBCZ-CJNGLKHVSA-N 1 2 375.358 2.138 20 0 GEADLO CCN1CC[C@@H]([N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1=O ZINC000852334908 654233108 /nfs/dbraw/zinc/23/31/08/654233108.db2.gz CIPJIFWSNDBIIM-FOGDFJRCSA-N 1 2 380.124 2.435 20 0 GEADLO O=C(C[N@@H+]1CC[C@@H](Nc2ncccn2)C1)Nc1ccc(Br)cc1 ZINC000903027458 654210585 /nfs/dbraw/zinc/21/05/85/654210585.db2.gz SEBSHGSSSHTVQM-CQSZACIVSA-N 1 2 376.258 2.364 20 0 GEADLO O=C(C[N@H+]1CC[C@@H](Nc2ncccn2)C1)Nc1ccc(Br)cc1 ZINC000903027458 654210590 /nfs/dbraw/zinc/21/05/90/654210590.db2.gz SEBSHGSSSHTVQM-CQSZACIVSA-N 1 2 376.258 2.364 20 0 GEADLO CCN1CC[C@@H]([N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1=O ZINC000852334908 654233110 /nfs/dbraw/zinc/23/31/10/654233110.db2.gz CIPJIFWSNDBIIM-FOGDFJRCSA-N 1 2 380.124 2.435 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000831805451 654211210 /nfs/dbraw/zinc/21/12/10/654211210.db2.gz XYZDAFZGFVGRRQ-AWEZNQCLSA-N 1 2 388.917 2.058 20 0 GEADLO CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000831805451 654211215 /nfs/dbraw/zinc/21/12/15/654211215.db2.gz XYZDAFZGFVGRRQ-AWEZNQCLSA-N 1 2 388.917 2.058 20 0 GEADLO Brc1ncn(CC[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)n1 ZINC000852014094 654212777 /nfs/dbraw/zinc/21/27/77/654212777.db2.gz BEZTVEMYNIZKSN-ZDUSSCGKSA-N 1 2 379.306 2.453 20 0 GEADLO Brc1ncn(CC[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)n1 ZINC000852014094 654212783 /nfs/dbraw/zinc/21/27/83/654212783.db2.gz BEZTVEMYNIZKSN-ZDUSSCGKSA-N 1 2 379.306 2.453 20 0 GEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCOc3ccc(Br)cc3C2)CCO1 ZINC000802076202 654214343 /nfs/dbraw/zinc/21/43/43/654214343.db2.gz FOLNIWRVCPHUGB-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCOc3ccc(Br)cc3C2)CCO1 ZINC000802076202 654214348 /nfs/dbraw/zinc/21/43/48/654214348.db2.gz FOLNIWRVCPHUGB-CYBMUJFWSA-N 1 2 398.301 2.074 20 0 GEADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000802235786 654223322 /nfs/dbraw/zinc/22/33/22/654223322.db2.gz RVMOONUUAQHJKU-CYBMUJFWSA-N 1 2 390.864 2.081 20 0 GEADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000802235786 654223325 /nfs/dbraw/zinc/22/33/25/654223325.db2.gz RVMOONUUAQHJKU-CYBMUJFWSA-N 1 2 390.864 2.081 20 0 GEADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000802241843 654223704 /nfs/dbraw/zinc/22/37/04/654223704.db2.gz BQJUNYQCGCGNDS-CHWSQXEVSA-N 1 2 399.260 2.389 20 0 GEADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000802241843 654223706 /nfs/dbraw/zinc/22/37/06/654223706.db2.gz BQJUNYQCGCGNDS-CHWSQXEVSA-N 1 2 399.260 2.389 20 0 GEADLO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(-c2ccccc2)cn1 ZINC000903224734 654228538 /nfs/dbraw/zinc/22/85/38/654228538.db2.gz BGRIMAAVCQVLAH-AWEZNQCLSA-N 1 2 381.523 2.457 20 0 GEADLO C[C@](CO)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000890630676 654233183 /nfs/dbraw/zinc/23/31/83/654233183.db2.gz QTLGLYSHLBGGDW-YVEFUNNKSA-N 1 2 378.270 2.232 20 0 GEADLO CC[N@H+](CCOC)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000921047081 654233484 /nfs/dbraw/zinc/23/34/84/654233484.db2.gz UZMDBEJFDYZTQR-MRXNPFEDSA-N 1 2 384.274 2.142 20 0 GEADLO CC[N@@H+](CCOC)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000921047081 654233487 /nfs/dbraw/zinc/23/34/87/654233487.db2.gz UZMDBEJFDYZTQR-MRXNPFEDSA-N 1 2 384.274 2.142 20 0 GEADLO CO[C@H](CS(=O)(=O)NCc1nc(C[NH+](C)C)cs1)c1ccc(F)cc1 ZINC000921078979 654234937 /nfs/dbraw/zinc/23/49/37/654234937.db2.gz AQJKQADHIWZCQJ-OAHLLOKOSA-N 1 2 387.502 2.151 20 0 GEADLO C[NH+](C)Cc1csc(CNS(=O)(=O)CCC2Cc3ccccc3C2)n1 ZINC000921094146 654235576 /nfs/dbraw/zinc/23/55/76/654235576.db2.gz YBATXHVEVPGGAR-UHFFFAOYSA-N 1 2 379.551 2.429 20 0 GEADLO C[C@H]1CS(=O)(=O)CCCN1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000921173033 654237599 /nfs/dbraw/zinc/23/75/99/654237599.db2.gz CULAXDKNDHGPJQ-XJKSGUPXSA-N 1 2 387.933 2.161 20 0 GEADLO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852437309 654239634 /nfs/dbraw/zinc/23/96/34/654239634.db2.gz ADMJUHZMPPQQND-LBPRGKRZSA-N 1 2 379.258 2.362 20 0 GEADLO Cn1c2cc(Br)ccc2nc1C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852437309 654239639 /nfs/dbraw/zinc/23/96/39/654239639.db2.gz ADMJUHZMPPQQND-LBPRGKRZSA-N 1 2 379.258 2.362 20 0 GEADLO CN(CC(=O)OCCCc1[nH+]ccn1C)C(=O)c1ccc(Br)o1 ZINC000802787729 654241864 /nfs/dbraw/zinc/24/18/64/654241864.db2.gz KAFXQQAKHPJCAV-UHFFFAOYSA-N 1 2 384.230 2.024 20 0 GEADLO Cn1cc[nH+]c1CCCOC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000802783456 654242092 /nfs/dbraw/zinc/24/20/92/654242092.db2.gz SOSSSLIFUDFZPG-UHFFFAOYSA-N 1 2 394.269 2.479 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1Br ZINC000921322115 654247588 /nfs/dbraw/zinc/24/75/88/654247588.db2.gz NRPRSXYYVKJQST-QWHCGFSZSA-N 1 2 391.356 2.307 20 0 GEADLO O=S(=O)(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1ccccc1Br ZINC000921322115 654247593 /nfs/dbraw/zinc/24/75/93/654247593.db2.gz NRPRSXYYVKJQST-QWHCGFSZSA-N 1 2 391.356 2.307 20 0 GEADLO Cn1c[nH+]cc1Cc1noc(-c2cc(Br)cn(C3CC3)c2=O)n1 ZINC000903664018 654274843 /nfs/dbraw/zinc/27/48/43/654274843.db2.gz TULWPKQMCBOHFI-UHFFFAOYSA-N 1 2 376.214 2.320 20 0 GEADLO CC(C)(C)n1nc(Br)c2c1ncnc2NCC[NH+]1CCOCC1 ZINC000891427617 654293132 /nfs/dbraw/zinc/29/31/32/654293132.db2.gz UOLIBOYFBGYINR-UHFFFAOYSA-N 1 2 383.294 2.088 20 0 GEADLO C[C@@](CO)(NC(=O)NCCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000891429688 654293706 /nfs/dbraw/zinc/29/37/06/654293706.db2.gz SHUWYQAGSQNDRK-INIZCTEOSA-N 1 2 381.274 2.243 20 0 GEADLO CC1=NO[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000832823835 654298484 /nfs/dbraw/zinc/29/84/84/654298484.db2.gz OKKUKZOODZMKTN-OAHLLOKOSA-N 1 2 381.274 2.304 20 0 GEADLO [NH3+][C@H](c1nc([C@H]2CC(=O)N(C3CC3)C2)no1)c1ccc(Br)cc1 ZINC000904095207 654301319 /nfs/dbraw/zinc/30/13/19/654301319.db2.gz YJBJBRZYGKYEBB-HZMBPMFUSA-N 1 2 377.242 2.359 20 0 GEADLO C[C@@]12COC[C@]1(C)C[N@@H+](CN1C(=O)N[C@@](C)(c3ccc(Cl)s3)C1=O)C2 ZINC000853542672 654302453 /nfs/dbraw/zinc/30/24/53/654302453.db2.gz FUXJMVABDYKFBI-BBWFWOEESA-N 1 2 383.901 2.484 20 0 GEADLO C[C@@]12COC[C@]1(C)C[N@H+](CN1C(=O)N[C@@](C)(c3ccc(Cl)s3)C1=O)C2 ZINC000853542672 654302458 /nfs/dbraw/zinc/30/24/58/654302458.db2.gz FUXJMVABDYKFBI-BBWFWOEESA-N 1 2 383.901 2.484 20 0 GEADLO C[N@@H+]1CCc2nc(NC(=O)C3(n4cc(Br)cn4)CC3)sc2C1 ZINC000891640500 654304255 /nfs/dbraw/zinc/30/42/55/654304255.db2.gz ZAPYAWLMVGZNPS-UHFFFAOYSA-N 1 2 382.287 2.218 20 0 GEADLO C[N@H+]1CCc2nc(NC(=O)C3(n4cc(Br)cn4)CC3)sc2C1 ZINC000891640500 654304256 /nfs/dbraw/zinc/30/42/56/654304256.db2.gz ZAPYAWLMVGZNPS-UHFFFAOYSA-N 1 2 382.287 2.218 20 0 GEADLO Cn1nc(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)ccc1=O ZINC000891647744 654304848 /nfs/dbraw/zinc/30/48/48/654304848.db2.gz WVFNPAHRQLKOKO-MRXNPFEDSA-N 1 2 391.269 2.318 20 0 GEADLO CCOC(=O)c1ncc(Br)c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000891717295 654308305 /nfs/dbraw/zinc/30/83/05/654308305.db2.gz COCDXWCHZKLKGV-UHFFFAOYSA-N 1 2 383.290 2.480 20 0 GEADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000804438986 654310251 /nfs/dbraw/zinc/31/02/51/654310251.db2.gz TWDZFGFBQJVSRC-PVUWLOKVSA-N 1 2 395.297 2.074 20 0 GEADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCn2ncc(Br)c2C1 ZINC000853863405 654326864 /nfs/dbraw/zinc/32/68/64/654326864.db2.gz QOKJCIFNURQULQ-UHFFFAOYSA-N 1 2 375.230 2.019 20 0 GEADLO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000872434920 654334632 /nfs/dbraw/zinc/33/46/32/654334632.db2.gz KNNJSGNSCKWMNK-XMMPIXPASA-N 1 2 387.571 2.166 20 0 GEADLO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000872434920 654334637 /nfs/dbraw/zinc/33/46/37/654334637.db2.gz KNNJSGNSCKWMNK-XMMPIXPASA-N 1 2 387.571 2.166 20 0 GEADLO C[C@H]1C[N@H+](CCNC(=O)NCCSCc2ccnc(Cl)c2)[C@@H](C)CO1 ZINC000853985863 654335091 /nfs/dbraw/zinc/33/50/91/654335091.db2.gz QZJZUQNMMDYMSC-KBPBESRZSA-N 1 2 386.949 2.377 20 0 GEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCSCc2ccnc(Cl)c2)[C@@H](C)CO1 ZINC000853985863 654335094 /nfs/dbraw/zinc/33/50/94/654335094.db2.gz QZJZUQNMMDYMSC-KBPBESRZSA-N 1 2 386.949 2.377 20 0 GEADLO CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000872440706 654336502 /nfs/dbraw/zinc/33/65/02/654336502.db2.gz WFIJVDJHSBRZML-XMMPIXPASA-N 1 2 388.490 2.242 20 0 GEADLO C[C@]1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1(Br)Br ZINC000854418626 654359949 /nfs/dbraw/zinc/35/99/49/654359949.db2.gz AALUQHRZRFORHX-GZMMTYOYSA-N 1 2 377.080 2.210 20 0 GEADLO C[C@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000805031648 654337858 /nfs/dbraw/zinc/33/78/58/654337858.db2.gz MJJUSFWAYSNIGT-LBPRGKRZSA-N 1 2 391.896 2.186 20 0 GEADLO Cc1nc(C[NH2+]CCNS(=O)(=O)c2cccs2)sc1Br ZINC000921917985 654342426 /nfs/dbraw/zinc/34/24/26/654342426.db2.gz VSNOTGVNUOYLOK-UHFFFAOYSA-N 1 2 396.357 2.344 20 0 GEADLO CC(C)(CNC(=O)[C@]1(C)CC1(Br)Br)[NH+]1CCOCC1 ZINC000854240406 654346201 /nfs/dbraw/zinc/34/62/01/654346201.db2.gz KZBFWVKMOJMEKT-LBPRGKRZSA-N 1 2 398.139 2.110 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)C3(CO)CC3)[nH+]c12 ZINC000921944283 654346466 /nfs/dbraw/zinc/34/64/66/654346466.db2.gz VEIKAOKNNOOAPT-GFCCVEGCSA-N 1 2 395.301 2.408 20 0 GEADLO C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1nc(Br)cs1 ZINC000834760935 654347358 /nfs/dbraw/zinc/34/73/58/654347358.db2.gz MBLYLELXWCDIRZ-QWRGUYRKSA-N 1 2 398.330 2.481 20 0 GEADLO C[C@@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1(Br)Br ZINC000854418627 654359892 /nfs/dbraw/zinc/35/98/92/654359892.db2.gz AALUQHRZRFORHX-KCJUWKMLSA-N 1 2 377.080 2.210 20 0 GEADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000922291306 654381628 /nfs/dbraw/zinc/38/16/28/654381628.db2.gz XEMZQXSSYDZFAB-GXTWGEPZSA-N 1 2 385.306 2.315 20 0 GEADLO Cc1ccccc1CN1CCO[C@H](C[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000922313768 654382489 /nfs/dbraw/zinc/38/24/89/654382489.db2.gz CHMMHUUWZIUPPH-OAHLLOKOSA-N 1 2 379.302 2.471 20 0 GEADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNCc3nc(Br)c[nH]3)C2)c1 ZINC000922318199 654383046 /nfs/dbraw/zinc/38/30/46/654383046.db2.gz URJSSEMOWRJXJH-OAHLLOKOSA-N 1 2 379.302 2.471 20 0 GEADLO Cc1cccc(C[N@H+]2CCO[C@H](CNCc3nc(Br)c[nH]3)C2)c1 ZINC000922318199 654383050 /nfs/dbraw/zinc/38/30/50/654383050.db2.gz URJSSEMOWRJXJH-OAHLLOKOSA-N 1 2 379.302 2.471 20 0 GEADLO C[S@@](=O)(=NS(=O)(=O)Nc1c[nH+]ccc1N1CCCC1)c1ccccc1 ZINC000906065128 654412618 /nfs/dbraw/zinc/41/26/18/654412618.db2.gz BRUUCJKUYIYVKL-DEOSSOPVSA-N 1 2 380.495 2.495 20 0 GEADLO O=C(CNC(=O)C[NH2+]Cc1sccc1Br)NCc1ccccc1 ZINC000922770432 654412641 /nfs/dbraw/zinc/41/26/41/654412641.db2.gz NVQNNJGCKIVASI-UHFFFAOYSA-N 1 2 396.310 2.033 20 0 GEADLO O=C1CC[C@H]([NH2+]c2ccc(N3CC[C@H](CO)C3)c(Br)c2)CCN1 ZINC000873149875 654418676 /nfs/dbraw/zinc/41/86/76/654418676.db2.gz FUVUBQLZIHWYHB-STQMWFEESA-N 1 2 382.302 2.348 20 0 GEADLO NS(=O)(=O)c1ccc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)cc1 ZINC000923001121 654424002 /nfs/dbraw/zinc/42/40/02/654424002.db2.gz QHJHLCFEKJXYPX-UHFFFAOYSA-N 1 2 397.298 2.056 20 0 GEADLO CCOC(=O)CC1CC[NH+](Cc2cn(C)nc2I)CC1 ZINC000893947510 654433067 /nfs/dbraw/zinc/43/30/67/654433067.db2.gz XANIMNOORYNTEQ-UHFFFAOYSA-N 1 2 391.253 2.190 20 0 GEADLO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000923304598 654442657 /nfs/dbraw/zinc/44/26/57/654442657.db2.gz BVOKGSCJLWRPCY-LSDHHAIUSA-N 1 2 382.913 2.341 20 0 GEADLO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000923304598 654442668 /nfs/dbraw/zinc/44/26/68/654442668.db2.gz BVOKGSCJLWRPCY-LSDHHAIUSA-N 1 2 382.913 2.341 20 0 GEADLO C[C@@H]1CCN(Cc2c(I)cnn2C)C[C@H]1n1cc[nH+]c1 ZINC000894095690 654446693 /nfs/dbraw/zinc/44/66/93/654446693.db2.gz SKAFWZYSPCJMAT-DGCLKSJQSA-N 1 2 385.253 2.304 20 0 GEADLO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1nc(Br)nn1C ZINC000894156457 654451051 /nfs/dbraw/zinc/45/10/51/654451051.db2.gz MIGIFSGORCLQQV-AWEZNQCLSA-N 1 2 394.317 2.147 20 0 GEADLO Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC34CC(O)C4)[nH+]c12 ZINC000894168786 654452365 /nfs/dbraw/zinc/45/23/65/654452365.db2.gz ZLQMHGPRFXIEHB-XOYHFGRZSA-N 1 2 393.285 2.160 20 0 GEADLO Brc1cccc(-n2ncc3c2nc[nH+]c3NC[C@@H]2COCO2)c1 ZINC000894178360 654453175 /nfs/dbraw/zinc/45/31/75/654453175.db2.gz MGCWCNDUGXATOW-GFCCVEGCSA-N 1 2 376.214 2.363 20 0 GEADLO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1c(I)cnn1C ZINC000894256765 654459803 /nfs/dbraw/zinc/45/98/03/654459803.db2.gz FVKMYZILERTDDP-LBPRGKRZSA-N 1 2 383.237 2.290 20 0 GEADLO CN1CC[N@H+](C[C@@H]2C[C@@]2(C)Br)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000894284227 654461975 /nfs/dbraw/zinc/46/19/75/654461975.db2.gz JAIPBMQQLVFSDK-WOSRLPQWSA-N 1 2 376.339 2.301 20 0 GEADLO CN1CC[N@@H+](C[C@@H]2C[C@@]2(C)Br)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000894284227 654461976 /nfs/dbraw/zinc/46/19/76/654461976.db2.gz JAIPBMQQLVFSDK-WOSRLPQWSA-N 1 2 376.339 2.301 20 0 GEADLO Cn1nc(Br)nc1C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000894358993 654469470 /nfs/dbraw/zinc/46/94/70/654469470.db2.gz LKBWZKCRQHBNFH-BXUZGUMPSA-N 1 2 398.692 2.293 20 0 GEADLO COc1ccc(C[C@H](CO)C[NH2+]Cc2ncc(Br)cc2O)cc1O ZINC000894472443 654478781 /nfs/dbraw/zinc/47/87/81/654478781.db2.gz MFAWITHVFXZOJE-LBPRGKRZSA-N 1 2 397.269 2.205 20 0 GEADLO O=C(OCc1cc(Cl)nc(Cl)c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923775948 654483329 /nfs/dbraw/zinc/48/33/29/654483329.db2.gz NAGGFMOFJCWDIA-OLZOCXBDSA-N 1 2 375.252 2.311 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cncc(Br)c3)C2)n1 ZINC000856595516 654485265 /nfs/dbraw/zinc/48/52/65/654485265.db2.gz YFUZUIYGULYRLP-MRXNPFEDSA-N 1 2 381.274 2.359 20 0 GEADLO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cncc(Br)c3)C2)n1 ZINC000856595516 654485273 /nfs/dbraw/zinc/48/52/73/654485273.db2.gz YFUZUIYGULYRLP-MRXNPFEDSA-N 1 2 381.274 2.359 20 0 GEADLO Cn1cc([C@H]2C[N@H+](Cc3nc(Br)c[nH]3)CC23CCOCC3)cn1 ZINC000894708189 654494710 /nfs/dbraw/zinc/49/47/10/654494710.db2.gz UTBRGRDAWAZKDA-CYBMUJFWSA-N 1 2 380.290 2.302 20 0 GEADLO Cn1cc([C@H]2C[N@@H+](Cc3nc(Br)c[nH]3)CC23CCOCC3)cn1 ZINC000894708189 654494713 /nfs/dbraw/zinc/49/47/13/654494713.db2.gz UTBRGRDAWAZKDA-CYBMUJFWSA-N 1 2 380.290 2.302 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000924129453 654501511 /nfs/dbraw/zinc/50/15/11/654501511.db2.gz FRNVJJJFJMLRDH-BXUZGUMPSA-N 1 2 397.269 2.139 20 0 GEADLO C[C@H]1CCN(C(=O)NCc2cn(C)nc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000924558976 654518359 /nfs/dbraw/zinc/51/83/59/654518359.db2.gz GCIXBFCPTLNDRT-AAEUAGOBSA-N 1 2 381.278 2.172 20 0 GEADLO C[C@@H]1CN(C(=O)NCc2nc(C[NH+](C)C)cs2)CC[C@H](C(F)(F)F)O1 ZINC000924790748 654524806 /nfs/dbraw/zinc/52/48/06/654524806.db2.gz JRQKKMQYIVOAMP-ZYHUDNBSSA-N 1 2 380.436 2.456 20 0 GEADLO Cc1cc(N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2=O)ccc1Br ZINC000907405695 654539791 /nfs/dbraw/zinc/53/97/91/654539791.db2.gz FZMPVGAFSDRWKY-HNNXBMFYSA-N 1 2 391.269 2.335 20 0 GEADLO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3[C@@H]4CCC(=O)[C@@H]43)cc2Br)CC1 ZINC000907656012 654564730 /nfs/dbraw/zinc/56/47/30/654564730.db2.gz UMPJAWQHVXHHKZ-CSMYWGQOSA-N 1 2 392.297 2.365 20 0 GEADLO COc1cc(Br)cc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000926289694 654566772 /nfs/dbraw/zinc/56/67/72/654566772.db2.gz CNSMTBRVHSUXOR-JKSUJKDBSA-N 1 2 398.301 2.072 20 0 GEADLO COc1cc(Br)cc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000926289694 654566778 /nfs/dbraw/zinc/56/67/78/654566778.db2.gz CNSMTBRVHSUXOR-JKSUJKDBSA-N 1 2 398.301 2.072 20 0 GEADLO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cc(CO)on1 ZINC000926298312 654567549 /nfs/dbraw/zinc/56/75/49/654567549.db2.gz IFSLGIHMCNOGCD-IINYFYTJSA-N 1 2 380.242 2.386 20 0 GEADLO Cc1ccc([C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c2cccnc2)cc1 ZINC000926884892 654584187 /nfs/dbraw/zinc/58/41/87/654584187.db2.gz LSFNOOGRDPKXMS-KRWDZBQOSA-N 1 2 381.523 2.126 20 0 GEADLO COc1cccc([C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c2ccccc2Cl)c1 ZINC000927035610 654590572 /nfs/dbraw/zinc/59/05/72/654590572.db2.gz ZWTODZMNYRKSCE-RDTXWAMCSA-N 1 2 383.897 2.433 20 0 GEADLO O=C(NCC1(n2cc(Br)cn2)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000927110104 654593266 /nfs/dbraw/zinc/59/32/66/654593266.db2.gz QBSVXWKSRMSNQA-UHFFFAOYSA-N 1 2 393.289 2.447 20 0 GEADLO O=C(NCC1(n2cc(Br)cn2)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000927110104 654593269 /nfs/dbraw/zinc/59/32/69/654593269.db2.gz QBSVXWKSRMSNQA-UHFFFAOYSA-N 1 2 393.289 2.447 20 0 GEADLO C[C@H]([NH2+]Cc1nc2c(s1)COCC2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000927115700 654594541 /nfs/dbraw/zinc/59/45/41/654594541.db2.gz CKKJHPBEDNTSRT-LBPRGKRZSA-N 1 2 381.523 2.317 20 0 GEADLO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]Cc1nc3c(s1)COCC3)CCC2 ZINC000927118253 654594898 /nfs/dbraw/zinc/59/48/98/654594898.db2.gz PREBGLJJSWWUEQ-CQSZACIVSA-N 1 2 379.507 2.030 20 0 GEADLO Cn1cc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c(Br)n1 ZINC000927618924 654606193 /nfs/dbraw/zinc/60/61/93/654606193.db2.gz ZNDHIUJGYAZLKT-VIFPVBQESA-N 1 2 380.168 2.189 20 0 GEADLO CN(C)c1ncc(Br)cc1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927767175 654612965 /nfs/dbraw/zinc/61/29/65/654612965.db2.gz BAJIWICEZDDEQW-UHFFFAOYSA-N 1 2 398.330 2.358 20 0 GEADLO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927774726 654613693 /nfs/dbraw/zinc/61/36/93/654613693.db2.gz QQSWPBCYLCUBJC-NSHDSACASA-N 1 2 380.901 2.293 20 0 GEADLO C[NH+](C)Cc1csc(CNC(=O)CSc2ccc3c(c2)OCCO3)n1 ZINC000927774573 654613712 /nfs/dbraw/zinc/61/37/12/654613712.db2.gz OOHUCZFAGZBLNF-UHFFFAOYSA-N 1 2 379.507 2.384 20 0 GEADLO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927774724 654613718 /nfs/dbraw/zinc/61/37/18/654613718.db2.gz QQSWPBCYLCUBJC-LLVKDONJSA-N 1 2 380.901 2.293 20 0 GEADLO NC(=O)CC1CC(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000928051466 654627953 /nfs/dbraw/zinc/62/79/53/654627953.db2.gz SUGQNQQMYBFMBS-QOJXUVEWSA-N 1 2 394.313 2.356 20 0 GEADLO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C(=O)c1ccc(Br)s1 ZINC000928079299 654629008 /nfs/dbraw/zinc/62/90/08/654629008.db2.gz MEOLXVCCXRXCQA-UWVGGRQHSA-N 1 2 389.340 2.389 20 0 GEADLO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)C(=O)c1ccc(Br)s1 ZINC000928079299 654629011 /nfs/dbraw/zinc/62/90/11/654629011.db2.gz MEOLXVCCXRXCQA-UWVGGRQHSA-N 1 2 389.340 2.389 20 0 GEADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928356893 654642604 /nfs/dbraw/zinc/64/26/04/654642604.db2.gz GIUDSWYFLAXHGU-YPMHNXCESA-N 1 2 376.258 2.362 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC000929645627 654689469 /nfs/dbraw/zinc/68/94/69/654689469.db2.gz FPWZCJAZWXGVTF-CQSZACIVSA-N 1 2 399.333 2.449 20 0 GEADLO CC[NH+](CC)[C@H](CNC(=O)c1ccc(S(C)(=O)=O)nc1)c1ccsc1 ZINC000930218197 654702204 /nfs/dbraw/zinc/70/22/04/654702204.db2.gz LBOBFFXGGCSBCR-OAHLLOKOSA-N 1 2 381.523 2.360 20 0 GEADLO CCS[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000930439245 654710271 /nfs/dbraw/zinc/71/02/71/654710271.db2.gz IKUDRHZHPMHLDJ-OCCSQVGLSA-N 1 2 384.571 2.001 20 0 GEADLO Cc1cc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cnc1Br ZINC000930444535 654710577 /nfs/dbraw/zinc/71/05/77/654710577.db2.gz ZUCGDLWPGMMGAA-CYBMUJFWSA-N 1 2 390.347 2.256 20 0 GEADLO Cc1cc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cnc1Br ZINC000930444535 654710579 /nfs/dbraw/zinc/71/05/79/654710579.db2.gz ZUCGDLWPGMMGAA-CYBMUJFWSA-N 1 2 390.347 2.256 20 0 GEADLO Nc1nc(Br)ccc1C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000930518836 654712033 /nfs/dbraw/zinc/71/20/33/654712033.db2.gz DWNKEDVOAALRDT-SECBINFHSA-N 1 2 395.223 2.317 20 0 GEADLO Nc1nc(Br)ccc1C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000930518836 654712038 /nfs/dbraw/zinc/71/20/38/654712038.db2.gz DWNKEDVOAALRDT-SECBINFHSA-N 1 2 395.223 2.317 20 0 GEADLO COC(=O)c1ccc(Br)c(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC000930596281 654714688 /nfs/dbraw/zinc/71/46/88/654714688.db2.gz BXPGAQYJIROFFI-CVEARBPZSA-N 1 2 383.286 2.141 20 0 GEADLO COC(=O)c1ccc(Br)c(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC000930596281 654714691 /nfs/dbraw/zinc/71/46/91/654714691.db2.gz BXPGAQYJIROFFI-CVEARBPZSA-N 1 2 383.286 2.141 20 0 GEADLO COC(=O)c1cc(Br)c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1OC ZINC000930623266 654715464 /nfs/dbraw/zinc/71/54/64/654715464.db2.gz PHDHQACSIPOAAA-HNNXBMFYSA-N 1 2 394.212 2.446 20 0 GEADLO COC(=O)c1cc(Br)c(C[N@H+]2CC[C@@](O)(C(F)F)C2)cc1OC ZINC000930623266 654715465 /nfs/dbraw/zinc/71/54/65/654715465.db2.gz PHDHQACSIPOAAA-HNNXBMFYSA-N 1 2 394.212 2.446 20 0 GEADLO Cn1cc([C@@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C(F)(F)F)cn1 ZINC000931105866 654729659 /nfs/dbraw/zinc/72/96/59/654729659.db2.gz QUZJOKCTSNKNTN-GFCCVEGCSA-N 1 2 376.408 2.041 20 0 GEADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(=O)n(C)cc2Br)c1C ZINC000931145354 654730858 /nfs/dbraw/zinc/73/08/58/654730858.db2.gz IIBZLUCHQCSUSY-UHFFFAOYSA-N 1 2 394.269 2.440 20 0 GEADLO Cc1ccc(NC(=O)C[C@H]([NH3+])C(F)F)cc1S(=O)(=O)N1CCCCC1 ZINC000911947622 654737153 /nfs/dbraw/zinc/73/71/53/654737153.db2.gz LMPQVQXAQJBSLE-ZDUSSCGKSA-N 1 2 375.441 2.091 20 0 GEADLO Cc1cc(C[NH2+]C(c2ccnn2C)c2ccnn2C)cnc1Br ZINC000931333987 654738653 /nfs/dbraw/zinc/73/86/53/654738653.db2.gz DJRSPTHXOJHMNH-UHFFFAOYSA-N 1 2 375.274 2.499 20 0 GEADLO COC1(OC)CC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1O ZINC000931642496 654750531 /nfs/dbraw/zinc/75/05/31/654750531.db2.gz UJOQCEXIMWKNPN-CYBMUJFWSA-N 1 2 398.257 2.055 20 0 GEADLO COC1(OC)CC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1O ZINC000931642496 654750534 /nfs/dbraw/zinc/75/05/34/654750534.db2.gz UJOQCEXIMWKNPN-CYBMUJFWSA-N 1 2 398.257 2.055 20 0 GEADLO Cc1cccc(NC(=O)NCc2nc(C[NH+](C)C)cs2)c1S(C)(=O)=O ZINC000931733564 654755109 /nfs/dbraw/zinc/75/51/09/654755109.db2.gz MIWATNBLBRRLBG-UHFFFAOYSA-N 1 2 382.511 2.238 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000931802727 654757688 /nfs/dbraw/zinc/75/76/88/654757688.db2.gz VMDRXGLSFWLKJI-SNVBAGLBSA-N 1 2 383.802 2.283 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NCC[N@@H+]2CCOCC2(C)C)n1 ZINC000931845109 654758742 /nfs/dbraw/zinc/75/87/42/654758742.db2.gz MORUBNIYDQLNLM-UHFFFAOYSA-N 1 2 385.306 2.203 20 0 GEADLO CC(C)c1ncc(Br)c(C(=O)NCC[N@H+]2CCOCC2(C)C)n1 ZINC000931845109 654758743 /nfs/dbraw/zinc/75/87/43/654758743.db2.gz MORUBNIYDQLNLM-UHFFFAOYSA-N 1 2 385.306 2.203 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCc2ccc(Br)c(F)c2C1 ZINC000932010987 654763820 /nfs/dbraw/zinc/76/38/20/654763820.db2.gz JXAKBOIFQZHEMD-WCQYABFASA-N 1 2 376.266 2.359 20 0 GEADLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCc2ccc(Br)c(F)c2C1 ZINC000932010987 654763822 /nfs/dbraw/zinc/76/38/22/654763822.db2.gz JXAKBOIFQZHEMD-WCQYABFASA-N 1 2 376.266 2.359 20 0 GEADLO C[C@]1([C@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932020778 654764521 /nfs/dbraw/zinc/76/45/21/654764521.db2.gz LFFWLROOOODYOE-RVSPLBMKSA-N 1 2 396.285 2.186 20 0 GEADLO C[C@]1([C@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)COC(=O)N1 ZINC000932020778 654764522 /nfs/dbraw/zinc/76/45/22/654764522.db2.gz LFFWLROOOODYOE-RVSPLBMKSA-N 1 2 396.285 2.186 20 0 GEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1c(Cl)n(C)nc1C(F)(F)F ZINC000932087932 654766574 /nfs/dbraw/zinc/76/65/74/654766574.db2.gz RYBIAYSTOWIRAL-SECBINFHSA-N 1 2 383.802 2.277 20 0 GEADLO Cn1ncc2c1nc(C[NH2+][C@@H]1CCOc3ccc(Br)cc31)[nH]c2=O ZINC000932210970 654770646 /nfs/dbraw/zinc/77/06/46/654770646.db2.gz GQVMGSQEYLZBGF-GFCCVEGCSA-N 1 2 390.241 2.445 20 0 GEADLO Cc1nc(CC2CC[NH+](CC(=O)Nc3ccc(Br)cn3)CC2)no1 ZINC000932241828 654772042 /nfs/dbraw/zinc/77/20/42/654772042.db2.gz JAARBSOIWVUJAM-UHFFFAOYSA-N 1 2 394.273 2.429 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3nc(CC(F)(F)F)no3)C2)s1 ZINC000932670351 654785034 /nfs/dbraw/zinc/78/50/34/654785034.db2.gz XDGQDLKQJBMPBY-MRVPVSSYSA-N 1 2 376.360 2.407 20 0 GEADLO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3nc(CC(F)(F)F)no3)C2)s1 ZINC000932670351 654785037 /nfs/dbraw/zinc/78/50/37/654785037.db2.gz XDGQDLKQJBMPBY-MRVPVSSYSA-N 1 2 376.360 2.407 20 0 GEADLO COCCOC[C@H](O)C[N@@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC000932753174 654788156 /nfs/dbraw/zinc/78/81/56/654788156.db2.gz CTBDREUBLCFIRM-LLVKDONJSA-N 1 2 378.694 2.485 20 0 GEADLO COCCOC[C@H](O)C[N@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC000932753174 654788157 /nfs/dbraw/zinc/78/81/57/654788157.db2.gz CTBDREUBLCFIRM-LLVKDONJSA-N 1 2 378.694 2.485 20 0 GEADLO Cc1c(I)cccc1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913446236 654792477 /nfs/dbraw/zinc/79/24/77/654792477.db2.gz CZYNWURRUCPLSG-AWEZNQCLSA-N 1 2 396.232 2.109 20 0 GEADLO COc1c(Br)c(C)sc1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913446752 654792536 /nfs/dbraw/zinc/79/25/36/654792536.db2.gz IGCUDWDMSQTRKA-JTQLQIEISA-N 1 2 385.287 2.337 20 0 GEADLO C[C@H](Oc1ccccc1Br)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913447545 654792554 /nfs/dbraw/zinc/79/25/54/654792554.db2.gz MNANTYFWBKVNHC-FZMZJTMJSA-N 1 2 379.258 2.113 20 0 GEADLO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913452346 654792835 /nfs/dbraw/zinc/79/28/35/654792835.db2.gz FJXUYNVYHROTHU-NHYWBVRUSA-N 1 2 379.258 2.113 20 0 GEADLO Cc1ccc(CC(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)cc1Br ZINC000913463813 654794010 /nfs/dbraw/zinc/79/40/10/654794010.db2.gz XPDYVMMUUPECFA-INIZCTEOSA-N 1 2 377.286 2.207 20 0 GEADLO Cn1cc([C@@H]2CN(C(=O)c3c[nH]c4cccc(Br)c34)CC[NH2+]2)cn1 ZINC000913463697 654794088 /nfs/dbraw/zinc/79/40/88/654794088.db2.gz IDUISEXSANNQEG-HNNXBMFYSA-N 1 2 388.269 2.451 20 0 GEADLO COc1cc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)sc1Br ZINC000913464401 654794289 /nfs/dbraw/zinc/79/42/89/654794289.db2.gz SNRCDHPDBUUDAC-JTQLQIEISA-N 1 2 385.287 2.039 20 0 GEADLO Cc1ccc(F)c(Br)c1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913475156 654794633 /nfs/dbraw/zinc/79/46/33/654794633.db2.gz RYBFLQKFDBDBSL-CYBMUJFWSA-N 1 2 381.249 2.417 20 0 GEADLO Cc1cc(Br)c(F)c(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)c1 ZINC000913475839 654794868 /nfs/dbraw/zinc/79/48/68/654794868.db2.gz OEHLCJCULWPXBD-AWEZNQCLSA-N 1 2 381.249 2.417 20 0 GEADLO CCn1c(Br)ncc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000913481368 654795121 /nfs/dbraw/zinc/79/51/21/654795121.db2.gz ZAJOMQJFNVTZGD-UHFFFAOYSA-N 1 2 393.285 2.329 20 0 GEADLO COc1ncc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1Br ZINC000932954050 654797314 /nfs/dbraw/zinc/79/73/14/654797314.db2.gz HGQABZRIRFOTRX-TXEJJXNPSA-N 1 2 399.289 2.146 20 0 GEADLO COc1ncc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1Br ZINC000932954050 654797317 /nfs/dbraw/zinc/79/73/17/654797317.db2.gz HGQABZRIRFOTRX-TXEJJXNPSA-N 1 2 399.289 2.146 20 0 GEADLO Cc1ccc(OCc2nc(C[N@@H+]3CC[C@H](CS(N)(=O)=O)C3)cs2)cc1 ZINC000932953974 654797426 /nfs/dbraw/zinc/79/74/26/654797426.db2.gz FUBMGRRWEFJWLE-AWEZNQCLSA-N 1 2 381.523 2.141 20 0 GEADLO Cc1ccc(OCc2nc(C[N@H+]3CC[C@H](CS(N)(=O)=O)C3)cs2)cc1 ZINC000932953974 654797428 /nfs/dbraw/zinc/79/74/28/654797428.db2.gz FUBMGRRWEFJWLE-AWEZNQCLSA-N 1 2 381.523 2.141 20 0 GEADLO COC(=O)c1cc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)cs1 ZINC000933088143 654801723 /nfs/dbraw/zinc/80/17/23/654801723.db2.gz JGCFVTHHNAQCJJ-UHFFFAOYSA-N 1 2 386.539 2.315 20 0 GEADLO O=S1(=O)NC[C@H]2C[N@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CCN21 ZINC000933103472 654801843 /nfs/dbraw/zinc/80/18/43/654801843.db2.gz KZZAVXXVGIEBRO-ROUUACIJSA-N 1 2 377.897 2.264 20 0 GEADLO O=S1(=O)NC[C@H]2C[N@@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CCN21 ZINC000933103472 654801845 /nfs/dbraw/zinc/80/18/45/654801845.db2.gz KZZAVXXVGIEBRO-ROUUACIJSA-N 1 2 377.897 2.264 20 0 GEADLO Cc1nccn1CCCC[N@@H+]1CCn2ncc(I)c2C1 ZINC000933112438 654802320 /nfs/dbraw/zinc/80/23/20/654802320.db2.gz UMMZDTDVHISZTJ-UHFFFAOYSA-N 1 2 385.253 2.289 20 0 GEADLO Cc1nccn1CCCC[N@H+]1CCn2ncc(I)c2C1 ZINC000933112438 654802322 /nfs/dbraw/zinc/80/23/22/654802322.db2.gz UMMZDTDVHISZTJ-UHFFFAOYSA-N 1 2 385.253 2.289 20 0 GEADLO Cc1csc(C[C@@H]2CC[N@H+](CC3=Nc4ccccc4S(=O)(=O)N3)C2)n1 ZINC000933124390 654803080 /nfs/dbraw/zinc/80/30/80/654803080.db2.gz XXEZVROANCMSLT-ZDUSSCGKSA-N 1 2 376.507 2.338 20 0 GEADLO Cc1csc(C[C@@H]2CC[N@@H+](CC3=Nc4ccccc4S(=O)(=O)N3)C2)n1 ZINC000933124390 654803081 /nfs/dbraw/zinc/80/30/81/654803081.db2.gz XXEZVROANCMSLT-ZDUSSCGKSA-N 1 2 376.507 2.338 20 0 GEADLO O=C(c1[nH]nc2ccc(Br)cc21)N1CC[NH+](CCCCCO)CC1 ZINC000913691106 654804616 /nfs/dbraw/zinc/80/46/16/654804616.db2.gz JRJIIBYYTGEFFL-UHFFFAOYSA-N 1 2 395.301 2.246 20 0 GEADLO O=C(N[C@@H](CO)Cc1cncs1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000913696138 654804883 /nfs/dbraw/zinc/80/48/83/654804883.db2.gz BRZFJXJUDLNFRM-WBVHZDCISA-N 1 2 379.913 2.481 20 0 GEADLO O=C(N[C@@H](CO)Cc1cncs1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000913696138 654804885 /nfs/dbraw/zinc/80/48/85/654804885.db2.gz BRZFJXJUDLNFRM-WBVHZDCISA-N 1 2 379.913 2.481 20 0 GEADLO CCn1c[nH+]c2c1CCN(C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000933264655 654805948 /nfs/dbraw/zinc/80/59/48/654805948.db2.gz YKNQLZAMGGYSBC-CQSZACIVSA-N 1 2 380.286 2.464 20 0 GEADLO C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)CNc1cccc[nH+]1 ZINC000913714925 654806331 /nfs/dbraw/zinc/80/63/31/654806331.db2.gz RKUCDBMIILVCHE-KRWDZBQOSA-N 1 2 378.270 2.366 20 0 GEADLO Cc1cc(C)c(CNC(=O)Nc2cnn(C)c2I)c[nH+]1 ZINC000933741168 654824804 /nfs/dbraw/zinc/82/48/04/654824804.db2.gz SKNSJVRIKGYWNE-UHFFFAOYSA-N 1 2 385.209 2.358 20 0 GEADLO CC[C@H]1C[N@H+](CCn2cccn2)CCN1S(=O)(=O)CCCC(C)(F)F ZINC000914132458 654828769 /nfs/dbraw/zinc/82/87/69/654828769.db2.gz NUGALVMZBKXIQP-HNNXBMFYSA-N 1 2 378.489 2.045 20 0 GEADLO CC[C@H]1C[N@@H+](CCn2cccn2)CCN1S(=O)(=O)CCCC(C)(F)F ZINC000914132458 654828771 /nfs/dbraw/zinc/82/87/71/654828771.db2.gz NUGALVMZBKXIQP-HNNXBMFYSA-N 1 2 378.489 2.045 20 0 GEADLO CCCCN(C(=O)C[N@@H+]1CCCSC[C@@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000933918518 654829942 /nfs/dbraw/zinc/82/99/42/654829942.db2.gz TZUDVWPYZDYVRD-IAGOWNOFSA-N 1 2 388.599 2.020 20 0 GEADLO CCCCN(C(=O)C[N@H+]1CCCSC[C@@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000933918518 654829945 /nfs/dbraw/zinc/82/99/45/654829945.db2.gz TZUDVWPYZDYVRD-IAGOWNOFSA-N 1 2 388.599 2.020 20 0 GEADLO Cc1cn2c(nc(C[N@H+]3CCCSC[C@@H]3c3cnn(C)c3)cc2=O)s1 ZINC000933972865 654832318 /nfs/dbraw/zinc/83/23/18/654832318.db2.gz CYSUPBAQIKKHCY-OAHLLOKOSA-N 1 2 375.523 2.478 20 0 GEADLO Cc1cn2c(nc(C[N@@H+]3CCCSC[C@@H]3c3cnn(C)c3)cc2=O)s1 ZINC000933972865 654832320 /nfs/dbraw/zinc/83/23/20/654832320.db2.gz CYSUPBAQIKKHCY-OAHLLOKOSA-N 1 2 375.523 2.478 20 0 GEADLO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914184643 654833471 /nfs/dbraw/zinc/83/34/71/654833471.db2.gz HSESRVQQPXVBJD-OIRASMEMSA-N 1 2 399.460 2.304 20 0 GEADLO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914184643 654833473 /nfs/dbraw/zinc/83/34/73/654833473.db2.gz HSESRVQQPXVBJD-OIRASMEMSA-N 1 2 399.460 2.304 20 0 GEADLO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914184641 654833487 /nfs/dbraw/zinc/83/34/87/654833487.db2.gz HSESRVQQPXVBJD-FNODVLLQSA-N 1 2 399.460 2.304 20 0 GEADLO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914184641 654833489 /nfs/dbraw/zinc/83/34/89/654833489.db2.gz HSESRVQQPXVBJD-FNODVLLQSA-N 1 2 399.460 2.304 20 0 GEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CCSC2(CCC2)C1 ZINC000914328096 654845416 /nfs/dbraw/zinc/84/54/16/654845416.db2.gz GEIPZLQWSLETRC-DOTOQJQBSA-N 1 2 385.599 2.312 20 0 GEADLO CN(C1CCCCC1)S(=O)(=O)N1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000914799084 654857717 /nfs/dbraw/zinc/85/77/17/654857717.db2.gz FJLUCBHCVZEDRK-ZDUSSCGKSA-N 1 2 384.373 2.307 20 0 GEADLO CC[C@@](O)(C[N@@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O)C(F)(F)F ZINC000934780881 654859357 /nfs/dbraw/zinc/85/93/57/654859357.db2.gz JMJUDPGEFOQEFD-GMTAPVOTSA-N 1 2 383.354 2.131 20 0 GEADLO CC[C@@](O)(C[N@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O)C(F)(F)F ZINC000934780881 654859360 /nfs/dbraw/zinc/85/93/60/654859360.db2.gz JMJUDPGEFOQEFD-GMTAPVOTSA-N 1 2 383.354 2.131 20 0 GEADLO Cc1nnsc1C[NH2+][C@H](CO)c1ccccc1I ZINC000934828041 654861792 /nfs/dbraw/zinc/86/17/92/654861792.db2.gz MHBYDEPWIXKSMU-LLVKDONJSA-N 1 2 375.235 2.274 20 0 GEADLO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1I ZINC000934828888 654862517 /nfs/dbraw/zinc/86/25/17/654862517.db2.gz HJOWSPAPHAYQMD-RISCZKNCSA-N 1 2 390.265 2.075 20 0 GEADLO COc1c(C)c[nH+]c(CNC(=O)NCc2cnc(Br)cn2)c1C ZINC000915488470 654871736 /nfs/dbraw/zinc/87/17/36/654871736.db2.gz XAPMKTIFYHGTID-UHFFFAOYSA-N 1 2 380.246 2.259 20 0 GEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C2(n3cc(Br)cn3)CC2)C1 ZINC000935682669 654910623 /nfs/dbraw/zinc/91/06/23/654910623.db2.gz FVUSHTRNNYKHCN-LBPRGKRZSA-N 1 2 378.274 2.274 20 0 GEADLO O=C(CCc1c[nH]c[nH+]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1Cl)C2 ZINC000996596208 654948712 /nfs/dbraw/zinc/94/87/12/654948712.db2.gz KDFSZDCAXPVJSI-WOPDTQHZSA-N 1 2 379.873 2.014 20 0 GEADLO O=C(CCc1c[nH+]c[nH]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1Cl)C2 ZINC000996596208 654948716 /nfs/dbraw/zinc/94/87/16/654948716.db2.gz KDFSZDCAXPVJSI-WOPDTQHZSA-N 1 2 379.873 2.014 20 0 GEADLO